A0A2K5XGS0_MANLE Loading...

T-complex protein 1 subunit alpha

Component of the chaperonin-containing T-complex (TRiC), a molecular chaperone complex that assists the folding of actin, tubulin and other proteins upon ATP hydrolysis. The TRiC complex mediates the folding of WRAP53/TCAB1, thereby regulating telomere maintenance. As part of the TRiC complex may play a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia.

AlphaFold DB , UniProt , Accession A0A2K5XGS0, Species MANLE (Mandrillus leucophaeus, Drill), Gene n/a, Length 556 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
1M37.6Very low54.9Low248 Ų248121.6 Ų121.6100%1.22267%0.67SS**  088.40-73-174.6-167.400106.9
2E38Very low57.5Low207 Ų207115.3 Ų115.397%0.96764%0.641SS**  trans-107.887.5172.8-76-177.8159.800106.7
3G41.3Very low59.7Low60 Ų60111.8 Ų111.862%0.61963%0.625SS**  trans-116.7124.217000000107.6L5G3-L5 PolarHBondContact O-N 3.43Å
4P44.9Very low61.6Low107 Ų107105.2 Ų105.270%0.69559%0.594SS**SBendtrans-73.984.9175.529.9-29.6000107.8
5L45.4Very low63.1Low75 Ų75104.3 Ų104.339%0.39358%0.583SS.*  trans16591.8152.3-85.8155.4000108.1G3 V7 R11 L533G3-L5 PolarHBondContact O-N 3.43Å; L5-V7 HydrophobicContact CD2-CB 3.94Å; L5-V7 HydrophobicContact CD2-CG2 4.11Å; L5-V7 PolarHBondContact O-N 2.74Å; L5-R11 HydrophobicContact CD1-CB 4.29Å; L5-L533 HydrophobicContact CD2-CD2 4.46Å
6S48Very low64.7Low133 Ų133101.9 Ų101.993%0.9358%0.58SS**  trans-82.138.9158.2178.50000110
7V55Low66.2Low82 Ų8295.9 Ų95.950%0.49755%0.546SS..SBendtrans-131.4124.1-179.7-169.20000105.3L5 G9 L533L5-V7 HydrophobicContact CD2-CB 3.94Å; L5-V7 HydrophobicContact CD2-CG2 4.11Å; L5-V7 PolarHBondContact O-N 2.74Å; V7-G9 PolarHBondContact O-N 3.49Å; V7-L533 HydrophobicContact CB-CD2 4.48Å; V7-L533 HydrophobicContact CG1-CD2 3.96Å
8F61.4Low67.3Low186 Ų18692.9 Ų92.982%0.81653%0.525SS*.SBendtrans-53.3107178.4-73.8-82.5000109.6H534F8-H534 HydrophobicContact CB-CB 4.31Å; F8-H534 PolarHBondContact O-CD2 3.17Å; F8-H534 PolarHBondContact O-N 2.69Å
9G69.5Low68.5Low27 Ų2790.3 Ų90.328%0.27851%0.513SS..EExtended strand (participates in β ladder)trans-178.6159.5-179.900000114V7 K532 H534V7-G9 PolarHBondContact O-N 3.49Å; G9-K532 CarbonylContact C-O 3.19Å; G9-K532 WeakPolarHBondContact CA-O 3.33Å; G9-H534 PolarHBondContact N-CD2 3.45Å
10D78.9Confident69.6Low97 Ų9790 Ų9052%0.51951%0.507SS..EExtended strand (participates in β ladder)trans-100.7132.2179.5-65.3-44.9000110.3K532 H534D10-K532 PolarHBondContact N-O 3.47Å; D10-K532 PolarHBondContact O-N 3.43Å; D10-H534 IonicContact OD2-CE1 4Å
11R84.3Confident70.7Confident116 Ų11685.9 Ų85.944%0.43848%0.484SS..EExtended strand (participates in β ladder)trans-120.7120.5172.2-178178.5174.9-171.5-2.6110.6L5 T13 D529 L530 I531L5-R11 HydrophobicContact CD1-CB 4.29Å; R11-T13 HydrophobicContact CG-CG2 3.79Å; R11-T13 VanDerWaalsContact NE-CG2 3.33Å; R11-D529 IonicContact CZ-OD2 3.46Å; R11-D529 IonicContact NE-OD2 3.47Å; R11-D529 PolarHBondContact NE-OD2 3.15Å; R11-D529 IonicContact NH2-OD2 2.69Å; R11-D529 PolarHBondContact NH2-OD2 2.84Å; R11-L530 WeakPolarHBondContact CA-O 3.08Å; R11-I531 HydrophobicContact CG-CG1 4.11Å
12S85.3Confident73.3Confident45 Ų4575 Ų7532%0.31543%0.432SS..EExtended strand (participates in β ladder)trans-112.7133.5171.3-66.90000109.7D529 L530S12-D529 WeakPolarHBondContact O-CA 3.48Å; S12-L530 PolarHBondContact N-O 2.89Å; S12-L530 PolarHBondContact O-N 3.26Å
13T86.6Confident75.9Confident71 Ų7172.2 Ų72.244%0.43642%0.42SS..EExtended strand (participates in β ladder)trans-129.5152.2-171.663.10000112.2R11 D528 D529R11-T13 HydrophobicContact CG-CG2 3.79Å; R11-T13 VanDerWaalsContact NE-CG2 3.33Å; T13-D528 CarbonylContact C-O 3.41Å; T13-D529 WeakPolarHBondContact CA-OD1 3.03Å; T13-D529 WeakPolarHBondContact CB-OD1 3.39Å; T13-D529 HydrophobicContact CG2-CB 4.46Å; T13-D529 WeakPolarHBondContact CG2-OD1 3.06Å
14G86.3Confident78.4Confident19 Ų1969.9 Ų69.920%0.19640%0.395CS..THydrogen-bonded Turntrans69.2-130.8170.300000115.3A16 I17 R18 D528G14-A16 PolarHBondContact O-N 3.47Å; G14-I17 WeakPolarHBondContact O-CG2 3.43Å; G14-R18 PolarHBondContact O-N 2.89Å; G14-R18 PolarHBondContact O-NH1 3.27Å; G14-D528 PolarHBondContact N-O 3.45Å
15E84.7Confident80.7Confident92 Ų9264.9 Ų64.943%0.4336%0.363SS..Hα-helixtrans-70.8-30.4-172.3-169.4173.6170.200113.1R18 S19E15-R18 PolarHBondContact O-N 3.49Å; E15-S19 PolarHBondContact O-N 2.94Å; E15-S19 PolarHBondContact O-OG 2.87Å
16A87.3Confident83Confident65 Ų6562.7 Ų62.754%0.53736%0.355SS..Hα-helixtrans-61.9-47179.800000111.5G14 S19 Q20G14-A16 PolarHBondContact O-N 3.47Å; A16-S19 PolarHBondContact O-N 2.92Å; A16-Q20 WeakPolarHBondContact O-CB 3.27Å; A16-Q20 PolarHBondContact O-N 3.04Å
17I90.3Very high85.2Confident0 Ų059.2 Ų59.20%033%0.331CS..Hα-helixtrans-69.9-34.9179.2-175.857.5000112.2G14 Q20 N21 I527 D528 L530G14-I17 WeakPolarHBondContact O-CG2 3.43Å; I17-Q20 HydrophobicContact CD1-CB 4.42Å; I17-Q20 PolarHBondContact O-N 3.37Å; I17-N21 WeakPolarHBondContact O-CB 3.3Å; I17-N21 PolarHBondContact O-N 3.45Å; I17-N21 PolarHBondContact O-ND2 3.06Å; I17-I527 HydrophobicContact CG1-CG2 4.46Å; I17-D528 WeakPolarHBondContact CG2-O 3.42Å; I17-L530 HydrophobicContact CD1-CB 3.35Å; I17-L530 HydrophobicContact CD1-CD2 3.55Å; I17-L530 HydrophobicContact CD1-CG 4.01Å; I17-L530 HydrophobicContact CG1-CB 3.61Å
18R86.8Confident87Confident43 Ų4355.9 Ų55.916%0.16231%0.31CS..Hα-helixtrans-62.1-46.3174.8-75.1-171.4-73.6-85.71.9111.7G14 E15 Q20 N21 V22 D528G14-R18 PolarHBondContact O-N 2.89Å; G14-R18 PolarHBondContact O-NH1 3.27Å; E15-R18 PolarHBondContact O-N 3.49Å; R18-Q20 VanDerWaalsContact C-N 3.31Å; R18-Q20 PolarHBondContact O-N 3.19Å; R18-N21 WeakPolarHBondContact O-CB 3.21Å; R18-N21 PolarHBondContact O-N 2.85Å; R18-V22 VanDerWaalsContact O-CG2 3.28Å; R18-V22 WeakPolarHBondContact O-CG2 3.33Å; R18-V22 PolarHBondContact O-N 2.99Å; R18-D528 IonicContact CZ-OD1 3.87Å; R18-D528 IonicContact NH1-OD1 3.11Å; R18-D528 PolarHBondContact NH1-OD1 2.73Å
19S89.1Confident88.6Confident43 Ų4347 Ų4730%0.30127%0.271SS..Hα-helixtrans-61.9-40.4176.1-64.80000111.7E15 A16 V22 M23E15-S19 PolarHBondContact O-N 2.94Å; E15-S19 PolarHBondContact O-OG 2.87Å; A16-S19 PolarHBondContact O-N 2.92Å; S19-V22 PolarHBondContact O-N 2.86Å; S19-M23 WeakPolarHBondContact O-CB 3.34Å; S19-M23 PolarHBondContact O-N 3.12Å
20Q91.4Very high89.8Confident84 Ų8449.9 Ų49.939%0.39328%0.28SS..Hα-helixtrans-64.3-43.7176.2-170.4-1786.200112.2A16 I17 R18 V22 M23 A24A16-Q20 WeakPolarHBondContact O-CB 3.27Å; A16-Q20 PolarHBondContact O-N 3.04Å; I17-Q20 HydrophobicContact CD1-CB 4.42Å; I17-Q20 PolarHBondContact O-N 3.37Å; R18-Q20 VanDerWaalsContact C-N 3.31Å; R18-Q20 PolarHBondContact O-N 3.19Å; Q20-V22 VanDerWaalsContact C-N 3.33Å; Q20-V22 PolarHBondContact O-N 2.86Å; Q20-M23 PolarHBondContact O-N 2.92Å; Q20-A24 WeakPolarHBondContact O-CB 3.46Å; Q20-A24 PolarHBondContact O-N 3.24Å
21N92.6Very high90.4Very high4 Ų448.2 Ų48.22%0.02127%0.271CS..Hα-helixtrans-58.3-44.6175.7-72.5-25.9000111.6I17 R18 A24 A25 H69 A71 I524I17-N21 WeakPolarHBondContact O-CB 3.3Å; I17-N21 PolarHBondContact O-N 3.45Å; I17-N21 PolarHBondContact O-ND2 3.06Å; R18-N21 WeakPolarHBondContact O-CB 3.21Å; R18-N21 PolarHBondContact O-N 2.85Å; N21-A24 PolarHBondContact O-N 3.17Å; N21-A25 WeakPolarHBondContact O-CB 3.46Å; N21-A25 PolarHBondContact O-N 3.02Å; N21-H69 PolarHBondContact OD1-CE1 2.85Å; N21-H69 VanDerWaalsContact OD1-CE1 3.23Å; N21-A71 HydrophobicContact CB-CB 3.99Å; N21-I524 HydrophobicContact CB-CG2 3.77Å
22V92.6Very high90.9Very high20 Ų2042.7 Ų42.712%0.12125%0.25CC..Hα-helixtrans-65.4-42.2178.5174.60000110.7R18 S19 Q20 A25 A26 L101 K102 D105R18-V22 VanDerWaalsContact O-CG2 3.28Å; R18-V22 WeakPolarHBondContact O-CG2 3.33Å; R18-V22 PolarHBondContact O-N 2.99Å; S19-V22 PolarHBondContact O-N 2.86Å; Q20-V22 VanDerWaalsContact C-N 3.33Å; Q20-V22 PolarHBondContact O-N 2.86Å; V22-A25 PolarHBondContact O-N 3.1Å; V22-A26 VanDerWaalsContact O-CB 3.23Å; V22-A26 WeakPolarHBondContact O-CB 3.34Å; V22-A26 PolarHBondContact O-N 3.45Å; V22-L101 HydrophobicContact CG2-CB 4.42Å; V22-K102 HydrophobicContact CG1-CB 4.2Å; V22-D105 HydrophobicContact CG2-CB 3.8Å
23M92.8Very high91.3Very high147 Ų14742.6 Ų42.672%0.72424%0.244SC*.Hα-helixtrans-63.3-43.3177.5-170.6175.8-175.400111.8S19 Q20 A26 S27S19-M23 WeakPolarHBondContact O-CB 3.34Å; S19-M23 PolarHBondContact O-N 3.12Å; Q20-M23 PolarHBondContact O-N 2.92Å; M23-A26 PolarHBondContact O-N 2.88Å; M23-S27 PolarHBondContact O-N 3.03Å; M23-S27 PolarHBondContact O-OG 2.8Å
24A93.3Very high91.7Very high12 Ų1240.8 Ų40.810%0.09923%0.234CC..Hα-helixtrans-65.2-39.6175.500000112.3Q20 N21 S27 I28 H69 A72Q20-A24 WeakPolarHBondContact O-CB 3.46Å; Q20-A24 PolarHBondContact O-N 3.24Å; N21-A24 PolarHBondContact O-N 3.17Å; A24-S27 PolarHBondContact O-OG 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.43Å; A24-I28 PolarHBondContact O-N 2.98Å; A24-H69 HydrophobicContact CB-CB 4.16Å; A24-A72 HydrophobicContact CB-CB 4.41Å
25A93.6Very high91.9Very high1 Ų140 Ų401%0.00823%0.225CC..Hα-helixtrans-66.2-42.517500000112N21 V22 I28 A29 L75 L101N21-A25 WeakPolarHBondContact O-CB 3.46Å; N21-A25 PolarHBondContact O-N 3.02Å; V22-A25 PolarHBondContact O-N 3.1Å; A25-I28 PolarHBondContact O-N 2.76Å; A25-A29 WeakPolarHBondContact O-CB 3.42Å; A25-A29 PolarHBondContact O-N 2.81Å; A25-L75 HydrophobicContact CB-CD1 3.73Å; A25-L101 HydrophobicContact CB-CD1 3.67Å
26A93.5Very high92.3Very high29 Ų2936.2 Ų36.224%0.2421%0.208CC..Hα-helixtrans-67.3-37.2179.900000112.4V22 M23 A29 N30V22-A26 VanDerWaalsContact O-CB 3.23Å; V22-A26 WeakPolarHBondContact O-CB 3.34Å; V22-A26 PolarHBondContact O-N 3.45Å; M23-A26 PolarHBondContact O-N 2.88Å; A26-A29 PolarHBondContact O-N 2.85Å; A26-N30 WeakPolarHBondContact O-CB 3.37Å; A26-N30 PolarHBondContact O-N 3.35Å; A26-N30 PolarHBondContact O-ND2 3.47Å
27S93.2Very high92.4Very high61 Ų6133.7 Ų33.743%0.42719%0.189SC..Hα-helixtrans-62.6-47.5176.863.90000111.2M23 A24 A29 N30 I31M23-S27 PolarHBondContact O-N 3.03Å; M23-S27 PolarHBondContact O-OG 2.8Å; A24-S27 PolarHBondContact O-OG 3.23Å; S27-A29 PolarHBondContact O-N 3.05Å; S27-N30 PolarHBondContact O-N 2.96Å; S27-I31 WeakPolarHBondContact O-CG1 3.44Å; S27-I31 PolarHBondContact O-N 3.17Å
28I93.8Very high92.1Very high11 Ų1136.7 Ų36.76%0.05621%0.208CC..Hα-helixtrans-60.3-46.5175.4-65.1-59.2000111.5A24 A25 N30 I31 L62 V67 A72 L75 V94A24-I28 WeakPolarHBondContact O-CG1 3.43Å; A24-I28 PolarHBondContact O-N 2.98Å; A25-I28 PolarHBondContact O-N 2.76Å; I28-N30 VanDerWaalsContact C-N 3.31Å; I28-N30 PolarHBondContact O-N 3.33Å; I28-I31 HydrophobicContact CD1-CD1 4.4Å; I28-I31 WeakPolarHBondContact O-CB 3.31Å; I28-I31 PolarHBondContact O-N 3.41Å; I28-L62 HydrophobicContact CG2-CD2 3.33Å; I28-V67 HydrophobicContact CD1-CG2 4.07Å; I28-A72 HydrophobicContact CD1-CB 4.18Å; I28-A72 HydrophobicContact CG1-CB 3.56Å; I28-L75 HydrophobicContact CB-CD1 4.31Å; I28-L75 HydrophobicContact CG2-CB 4.37Å; I28-L75 HydrophobicContact CG2-CD1 4.32Å; I28-V94 HydrophobicContact CG2-CG1 4.21Å
29A94.9Very high92Very high0 Ų036.9 Ų36.90%021%0.214CC..Hα-helixtrans-62.4-38177.700000112.5A25 A26 S27 I31 V32 K33 V94 A98A25-A29 WeakPolarHBondContact O-CB 3.42Å; A25-A29 PolarHBondContact O-N 2.81Å; A26-A29 PolarHBondContact O-N 2.85Å; S27-A29 PolarHBondContact O-N 3.05Å; A29-I31 VanDerWaalsContact C-N 3.27Å; A29-I31 PolarHBondContact O-N 3Å; A29-V32 WeakPolarHBondContact O-CG2 3.48Å; A29-V32 PolarHBondContact O-N 3.34Å; A29-K33 VanDerWaalsContact O-CG 3.28Å; A29-K33 WeakPolarHBondContact O-CG 3.45Å; A29-K33 PolarHBondContact O-N 2.89Å; A29-V94 HydrophobicContact CB-CG1 4.43Å; A29-A98 HydrophobicContact CB-CB 3.31Å
30N94Very high91.9Very high87 Ų8735.4 Ų35.447%0.46521%0.205SC..Hα-helixtrans-64.9-30.4178.8-72-21.7000112.9A26 S27 I28 K33A26-N30 WeakPolarHBondContact O-CB 3.37Å; A26-N30 PolarHBondContact O-N 3.35Å; A26-N30 PolarHBondContact O-ND2 3.47Å; S27-N30 PolarHBondContact O-N 2.96Å; I28-N30 VanDerWaalsContact C-N 3.31Å; I28-N30 PolarHBondContact O-N 3.33Å; N30-K33 WeakPolarHBondContact OD1-CD 3.47Å; N30-K33 WeakPolarHBondContact OD1-CE 3.39Å; N30-K33 PolarHBondContact OD1-NZ 3.07Å
31I93.3Very high91.7Very high62 Ų6237 Ų3732%0.31822%0.216SC..Hα-helixtrans-60.3-51.6173.6-63.2168.2000109.7S27 I28 A29 S34 I61 L65S27-I31 WeakPolarHBondContact O-CG1 3.44Å; S27-I31 PolarHBondContact O-N 3.17Å; I28-I31 HydrophobicContact CD1-CD1 4.4Å; I28-I31 WeakPolarHBondContact O-CB 3.31Å; I28-I31 PolarHBondContact O-N 3.41Å; A29-I31 VanDerWaalsContact C-N 3.27Å; A29-I31 PolarHBondContact O-N 3Å; I31-S34 PolarHBondContact O-OG 3.32Å; I31-I61 HydrophobicContact CG2-CG2 3.95Å; I31-L65 HydrophobicContact CD1-CD1 3.77Å; I31-L65 HydrophobicContact CG2-CD1 4.37Å
32V93.9Very high91.5Very high0 Ų039.9 Ų39.90%023%0.231CC..Hα-helixtrans-79-21-176.2-62.70000114A29 S34 S35 L36 L62 V94 I95A29-V32 WeakPolarHBondContact O-CG2 3.48Å; A29-V32 PolarHBondContact O-N 3.34Å; V32-S34 VanDerWaalsContact C-N 3.26Å; V32-S34 PolarHBondContact O-N 3.2Å; V32-S35 PolarHBondContact O-N 2.75Å; V32-L36 PolarHBondContact O-N 2.78Å; V32-L62 HydrophobicContact CG1-CD1 4.47Å; V32-L62 HydrophobicContact CG1-CD2 4.41Å; V32-L62 HydrophobicContact CG1-CG 4.33Å; V32-V94 HydrophobicContact CG2-CB 4.3Å; V32-V94 HydrophobicContact CG2-CG1 3.99Å; V32-I95 HydrophobicContact CG2-CD1 4.49Å; V32-I95 HydrophobicContact CG2-CG1 3.97Å
33K94.3Very high91.4Very high44 Ų4441.2 Ų41.219%0.19124%0.235CC..Hα-helixtrans-53.8-42.6178.7-87.8178.4-168.3169.40112.6A29 N30 S35 L36 I95 T451 N455A29-K33 VanDerWaalsContact O-CG 3.28Å; A29-K33 WeakPolarHBondContact O-CG 3.45Å; A29-K33 PolarHBondContact O-N 2.89Å; N30-K33 WeakPolarHBondContact OD1-CD 3.47Å; N30-K33 WeakPolarHBondContact OD1-CE 3.39Å; N30-K33 PolarHBondContact OD1-NZ 3.07Å; K33-S35 PolarHBondContact O-N 3.27Å; K33-L36 WeakPolarHBondContact O-CB 3.4Å; K33-L36 PolarHBondContact O-N 2.96Å; K33-I95 HydrophobicContact CG-CD1 3.98Å; K33-I95 HydrophobicContact CG-CG1 3.95Å; K33-I95 HydrophobicContact CG-CG2 4.17Å; K33-T451 HydrophobicContact CD-CG2 4.03Å; K33-T451 HydrophobicContact CG-CG2 3.97Å; K33-N455 PolarHBondContact O-ND2 3.42Å
34S93.4Very high91.3Very high33 Ų3340.1 Ų40.123%0.23123%0.23CC..THydrogen-bonded Turntrans-72.7-11.2-178.460.20000114.2I31 V32 L41 K43I31-S34 PolarHBondContact O-OG 3.32Å; V32-S34 VanDerWaalsContact C-N 3.26Å; V32-S34 PolarHBondContact O-N 3.2Å; S34-L41 PolarHBondContact O-N 3.32Å; S34-K43 WeakPolarHBondContact OG-CE 3.5Å; S34-K43 PolarHBondContact OG-NZ 2.67Å
35S91.7Very high91.2Very high1 Ų141.3 Ų41.31%0.00724%0.235CC..THydrogen-bonded Turntrans-98.9-2.5175-53.80000112.4V32 K33 L41 K43 N56V32-S35 PolarHBondContact O-N 2.75Å; K33-S35 PolarHBondContact O-N 3.27Å; S35-L41 PolarHBondContact OG-O 3.34Å; S35-K43 WeakPolarHBondContact OG-CE 3.39Å; S35-N56 PolarHBondContact O-OD1 2.85Å
36L92.5Very high91.1Very high13 Ų1345.8 Ų45.87%0.06826%0.262CS..  trans-75130.1-179.2-173.476000112.6V32 K33 T91 I95 I448 T451 L452 N455V32-L36 PolarHBondContact O-N 2.78Å; K33-L36 WeakPolarHBondContact O-CB 3.4Å; K33-L36 PolarHBondContact O-N 2.96Å; L36-T91 WeakPolarHBondContact CD1-OG1 3.35Å; L36-I95 HydrophobicContact CB-CD1 4.07Å; L36-I95 HydrophobicContact CD1-CD1 4.23Å; L36-I95 HydrophobicContact CD2-CD1 3.92Å; L36-I95 HydrophobicContact CG-CD1 4.29Å; L36-I448 HydrophobicContact CD2-CD1 4.04Å; L36-I448 HydrophobicContact CD2-CG2 4.35Å; L36-T451 WeakPolarHBondContact CD2-OG1 3.32Å; L36-L452 HydrophobicContact CD2-CD2 4.11Å; L36-L452 HydrophobicContact CD2-CG 4.11Å; L36-L452 HydrophobicContact CG-CD2 3.96Å; L36-L452 HydrophobicContact CG-CG 4.5Å; L36-N455 PolarHBondContact O-ND2 2.8Å
37G88.8Confident90.9Very high13 Ų1348.9 Ų48.913%0.13427%0.274CS..SBendtrans94.1174.3169.200000114.5V39 G40 S158G37-V39 PolarHBondContact O-N 3.33Å; G37-V39 VanDerWaalsContact O-N 3.13Å; G37-G40 WeakPolarHBondContact O-CA 3.33Å; G37-G40 PolarHBondContact O-N 3.48Å; G37-S158 VanDerWaalsContact C-CB 3.46Å; G37-S158 WeakPolarHBondContact O-CA 3.4Å; G37-S158 WeakPolarHBondContact O-CB 3.49Å
38P84.1Confident90.7Very high62 Ų6253.3 Ų53.340%0.40329%0.293SS..THydrogen-bonded Turntrans-61.9-22.8-177.225.8-36.1000114.2S157 L490P38-S157 WeakPolarHBondContact CA-O 3.48Å; P38-L490 HydrophobicContact CG-CD1 3.78Å
39V86.1Confident90.6Very high48 Ų4859.6 Ų59.629%0.29133%0.326SS..THydrogen-bonded Turntrans-102.511.9176.6-66.10000111.9G37 N455 A456 L490G37-V39 PolarHBondContact O-N 3.33Å; G37-V39 VanDerWaalsContact O-N 3.13Å; V39-N455 HydrophobicContact CG2-CB 3.93Å; V39-A456 HydrophobicContact CG2-CB 3.88Å; V39-L490 HydrophobicContact CG2-CD1 3.96Å
40G85.9Confident90.2Very high11 Ų1161.8 Ų61.811%0.11335%0.348CS..PPolyproline II helixtrans-65.7143.6174.500000111.1G37G37-G40 WeakPolarHBondContact O-CA 3.33Å; G37-G40 PolarHBondContact O-N 3.48Å
41L87Confident90Very high117 Ų11762.8 Ų62.861%0.61335%0.353SS*.PPolyproline II helixtrans-96.9135.3-177.8-60.2176.2000111.2S34 S35S34-L41 PolarHBondContact O-N 3.32Å; S35-L41 PolarHBondContact OG-O 3.34Å
42D89.2Confident89.8Confident65 Ų6561.7 Ų61.735%0.34835%0.349SS..PPolyproline II helixtrans-66.2151.1175.1-58.5-17.8000111.2I54 N56D42-I54 HydrophobicContact CB-CG2 3.84Å; D42-N56 VanDerWaalsContact OD1-CB 3.29Å; D42-N56 WeakPolarHBondContact OD1-CB 3.49Å; D42-N56 PolarHBondContact OD1-ND2 2.77Å
43K90.8Very high89.5Confident48 Ų4863.5 Ų63.521%0.20936%0.36CS..EExtended strand (participates in β ladder)trans-109.1135.3175.6-57.9-57171.5-147.60110.3S34 S35 I54 T55 I61S34-K43 WeakPolarHBondContact OG-CE 3.5Å; S34-K43 PolarHBondContact OG-NZ 2.67Å; S35-K43 WeakPolarHBondContact OG-CE 3.39Å; K43-I54 CarbonylContact O-C 3.57Å; K43-I54 VanDerWaalsContact O-CA 3.3Å; K43-I54 WeakPolarHBondContact O-CA 3.41Å; K43-T55 PolarHBondContact N-O 3.44Å; K43-T55 PolarHBondContact O-N 3.25Å; K43-I61 HydrophobicContact CB-CD1 4.23Å; K43-I61 HydrophobicContact CG-CD1 3.91Å
44M91.1Very high89.3Confident124 Ų12464.2 Ų64.261%0.61137%0.366SS*.EExtended strand (participates in β ladder)trans-95115.6170.4-175.3178-76.900108.1V52 I54M44-V52 HydrophobicContact CE-CG1 4.18Å; M44-V52 HydrophobicContact CG-CG1 3.29Å; M44-V52 HydrophobicContact SD-CG1 3.82Å; M44-I54 HydrophobicContact CB-CG1 4.44Å; M44-I54 HydrophobicContact CE-CD1 3.78Å; M44-I54 HydrophobicContact CE-CG1 4.04Å; M44-I54 HydrophobicContact CG-CG1 4.29Å
45L90.4Very high89.1Confident37 Ų3762.7 Ų62.719%0.19436%0.355CS..EExtended strand (participates in β ladder)trans-111.3127.9176.5-60.6173.8000108V52 T53 I61 L64L45-V52 WeakPolarHBondContact O-CA 3.43Å; L45-T53 PolarHBondContact N-O 3.38Å; L45-T53 PolarHBondContact O-N 2.78Å; L45-I61 HydrophobicContact CD1-CB 4.36Å; L45-I61 HydrophobicContact CD1-CG1 4.35Å; L45-I61 HydrophobicContact CD1-CG2 4.27Å; L45-L64 HydrophobicContact CB-CD1 4.35Å; L45-L64 HydrophobicContact CD1-CB 3.81Å; L45-L64 HydrophobicContact CD1-CD1 3.7Å; L45-L64 HydrophobicContact CD1-CG 4.4Å
46V91.8Very high88.9Confident96 Ų9662.9 Ų62.958%0.58236%0.356SS*.EExtended strand (participates in β ladder)trans-108.9124.9-179.2-172.70000107.5V52V46-V52 HydrophobicContact CG1-CG2 4.44Å; V46-V52 HydrophobicContact CG2-CG2 4.18Å
47D89.5Confident88.6Confident93 Ų9362.9 Ų62.950%0.49736%0.356SS..  trans-78.7166.3175.2-161.22.9000110.9I49 G50 D51D47-I49 PolarHBondContact O-N 2.96Å; D47-I49 VanDerWaalsContact O-N 3.12Å; D47-G50 WeakPolarHBondContact O-CA 3.33Å; D47-G50 PolarHBondContact O-N 2.86Å; D47-D51 HydrophobicContact CB-CB 4.42Å; D47-D51 PolarHBondContact N-O 2.97Å
48D88.9Confident88.6Confident155 Ų15562.2 Ų62.283%0.82935%0.349SS*.THydrogen-bonded Turntrans-59.6-27.6-178.6-74.6-19.8000113G50D48-G50 VanDerWaalsContact C-N 3.29Å
49I90.7Very high88.9Confident143 Ų14359.3 Ų59.373%0.73333%0.33SS*.THydrogen-bonded Turntrans-80.9-13.2178.7-59.5173.1000111.5D47D47-I49 PolarHBondContact O-N 2.96Å; D47-I49 VanDerWaalsContact O-N 3.12Å
50G87.8Confident89.1Confident45 Ų4557.9 Ų57.946%0.46432%0.322SS..SBendtrans94.14.5-176.300000114.5D47 D48D47-G50 WeakPolarHBondContact O-CA 3.33Å; D47-G50 PolarHBondContact O-N 2.86Å; D48-G50 VanDerWaalsContact C-N 3.29Å
51D88.4Confident89.4Confident108 Ų10857.3 Ų57.358%0.57832%0.316SS*.  trans-68.5133172.3-75.8-25.8000110.1D47D47-D51 HydrophobicContact CB-CB 4.42Å; D47-D51 PolarHBondContact N-O 2.97Å
52V89.1Confident89.6Confident40 Ų4051.9 Ų51.924%0.24229%0.288CS..EExtended strand (participates in β ladder)trans-109.1124.2-174.2-175.70000110M44 L45 V46 I54 F383M44-V52 HydrophobicContact CE-CG1 4.18Å; M44-V52 HydrophobicContact CG-CG1 3.29Å; M44-V52 HydrophobicContact SD-CG1 3.82Å; L45-V52 WeakPolarHBondContact O-CA 3.43Å; V46-V52 HydrophobicContact CG1-CG2 4.44Å; V46-V52 HydrophobicContact CG2-CG2 4.18Å; V52-I54 HydrophobicContact CG1-CG1 4.28Å; V52-F383 WeakPolarHBondContact O-CD1 3.38Å; V52-F383 WeakPolarHBondContact O-CE1 3.32Å
53T88.1Confident89.7Confident38 Ų3853.6 Ų53.623%0.23329%0.292CS..EExtended strand (participates in β ladder)trans-109.6123.3170.1-630000109.5L45 T55 L64L45-T53 PolarHBondContact N-O 3.38Å; L45-T53 PolarHBondContact O-N 2.78Å; T53-T55 HydrophobicContact CG2-CG2 4.44Å; T53-L64 HydrophobicContact CG2-CD1 3.94Å
54I90.2Very high89.7Confident59 Ų5955.3 Ų55.330%0.30330%0.303SS..EExtended strand (participates in β ladder)trans-104.2121.4172.8-56.3172.1000107.4D42 K43 M44 V52D42-I54 HydrophobicContact CB-CG2 3.84Å; K43-I54 CarbonylContact O-C 3.57Å; K43-I54 VanDerWaalsContact O-CA 3.3Å; K43-I54 WeakPolarHBondContact O-CA 3.41Å; M44-I54 HydrophobicContact CB-CG1 4.44Å; M44-I54 HydrophobicContact CE-CD1 3.78Å; M44-I54 HydrophobicContact CE-CG1 4.04Å; M44-I54 HydrophobicContact CG-CG1 4.29Å; V52-I54 HydrophobicContact CG1-CG1 4.28Å
55T88.6Confident89.6Confident0 Ų051.7 Ų51.70%029%0.286CS..EExtended strand (participates in β ladder)trans-153.6151.8-178.5-163.30000113.6K43 T53 D57 T60 I61 E387 R390K43-T55 PolarHBondContact N-O 3.44Å; K43-T55 PolarHBondContact O-N 3.25Å; T53-T55 HydrophobicContact CG2-CG2 4.44Å; T55-D57 PolarHBondContact OG1-N 2.92Å; T55-T60 HydrophobicContact CG2-CG2 4.18Å; T55-I61 HydrophobicContact CG2-CG1 3.69Å; T55-E387 VanDerWaalsContact CA-OE2 3.3Å; T55-E387 WeakPolarHBondContact CA-OE2 3.3Å; T55-E387 WeakPolarHBondContact CB-OE2 3.46Å; T55-E387 PolarHBondContact OG1-OE1 2.92Å; T55-E387 PolarHBondContact OG1-OE2 3.38Å; T55-R390 PolarHBondContact OG1-NH1 3.43Å
56N87Confident89.5Confident6 Ų658.6 Ų58.63%0.03232%0.317CS..  trans-98.9-21.9171.2-157.8-68.7000112.5S35 D42 G58 S158 E387S35-N56 PolarHBondContact O-OD1 2.85Å; D42-N56 VanDerWaalsContact OD1-CB 3.29Å; D42-N56 WeakPolarHBondContact OD1-CB 3.49Å; D42-N56 PolarHBondContact OD1-ND2 2.77Å; N56-G58 PolarHBondContact O-N 3.44Å; N56-G58 VanDerWaalsContact O-N 3.15Å; N56-S158 VanDerWaalsContact CG-O 3.27Å; N56-S158 PolarHBondContact ND2-O 3.43Å; N56-E387 PolarHBondContact N-OE1 3.47Å
57D87.8Confident89.4Confident12 Ų1255.9 Ų55.96%0.06430%0.301CS..  trans-67118.1-174169.737.8000111.4T55 A59 T60 I61 T90T55-D57 PolarHBondContact OG1-N 2.92Å; D57-A59 VanDerWaalsContact C-N 3.27Å; D57-A59 PolarHBondContact O-N 2.79Å; D57-A59 PolarHBondContact OD1-N 3.19Å; D57-A59 VanDerWaalsContact OD1-N 3.1Å; D57-T60 PolarHBondContact O-N 2.99Å; D57-T60 WeakPolarHBondContact OD2-CB 3.5Å; D57-T60 PolarHBondContact OD2-N 3.35Å; D57-T60 PolarHBondContact OD2-OG1 3.46Å; D57-I61 WeakPolarHBondContact O-CG1 3.4Å; D57-I61 PolarHBondContact O-N 3.14Å; D57-T90 PolarHBondContact OD1-OG1 3.45Å
58G88.9Confident89.2Confident0 Ų060 Ų600%032%0.317CS..Hα-helixtrans-58.6-36-179.800000113.1N56 L62N56-G58 PolarHBondContact O-N 3.44Å; N56-G58 VanDerWaalsContact O-N 3.15Å; G58-L62 WeakPolarHBondContact O-CB 3.31Å; G58-L62 WeakPolarHBondContact O-CD1 3.36Å; G58-L62 WeakPolarHBondContact O-CG 3.19Å; G58-L62 PolarHBondContact O-N 3.26Å
59A89.9Confident89.2Confident0 Ų054.3 Ų54.30%029%0.285CS..Hα-helixtrans-67.8-43.9178.300000110.8D57 L62 K63 A79 D83 T90D57-A59 VanDerWaalsContact C-N 3.27Å; D57-A59 PolarHBondContact O-N 2.79Å; D57-A59 PolarHBondContact OD1-N 3.19Å; D57-A59 VanDerWaalsContact OD1-N 3.1Å; A59-L62 PolarHBondContact O-N 3.25Å; A59-K63 VanDerWaalsContact O-CG 3.28Å; A59-K63 WeakPolarHBondContact O-CG 3.44Å; A59-K63 PolarHBondContact O-N 3.36Å; A59-A79 HydrophobicContact CB-CB 4.33Å; A59-D83 HydrophobicContact CB-CB 3.85Å; A59-T90 HydrophobicContact CB-CG2 3.77Å
60T89.6Confident89.1Confident18 Ų1850.4 Ų50.411%0.1127%0.27CS..Hα-helixtrans-65.7-40.3177.3-55.40000112.6T55 D57 L62 K63 L64T55-T60 HydrophobicContact CG2-CG2 4.18Å; D57-T60 PolarHBondContact O-N 2.99Å; D57-T60 WeakPolarHBondContact OD2-CB 3.5Å; D57-T60 PolarHBondContact OD2-N 3.35Å; D57-T60 PolarHBondContact OD2-OG1 3.46Å; T60-L62 VanDerWaalsContact C-N 3.3Å; T60-L62 PolarHBondContact O-N 2.72Å; T60-K63 PolarHBondContact O-N 2.97Å; T60-L64 HydrophobicContact CG2-CD1 4.17Å; T60-L64 WeakPolarHBondContact O-CG 3.31Å; T60-L64 PolarHBondContact O-N 2.69Å
61I92.1Very high89.2Confident0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-56.3-48.3172.7-66.4167.2000110I31 K43 L45 T55 D57 K63 L64 L65I31-I61 HydrophobicContact CG2-CG2 3.95Å; K43-I61 HydrophobicContact CB-CD1 4.23Å; K43-I61 HydrophobicContact CG-CD1 3.91Å; L45-I61 HydrophobicContact CD1-CB 4.36Å; L45-I61 HydrophobicContact CD1-CG1 4.35Å; L45-I61 HydrophobicContact CD1-CG2 4.27Å; T55-I61 HydrophobicContact CG2-CG1 3.69Å; D57-I61 WeakPolarHBondContact O-CG1 3.4Å; D57-I61 PolarHBondContact O-N 3.14Å; I61-K63 PolarHBondContact O-N 3.42Å; I61-L64 PolarHBondContact O-N 2.84Å; I61-L65 HydrophobicContact CG2-CD1 4.06Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 2.79Å
62L92.5Very high89.3Confident3 Ų343.3 Ų43.32%0.01622%0.222CC..Hα-helixtrans-72.3-25.4-176.2-66.5171.4000114.1I28 V32 G58 A59 T60 L65 C76 A79 V94I28-L62 HydrophobicContact CG2-CD2 3.33Å; V32-L62 HydrophobicContact CG1-CD1 4.47Å; V32-L62 HydrophobicContact CG1-CD2 4.41Å; V32-L62 HydrophobicContact CG1-CG 4.33Å; G58-L62 WeakPolarHBondContact O-CB 3.31Å; G58-L62 WeakPolarHBondContact O-CD1 3.36Å; G58-L62 WeakPolarHBondContact O-CG 3.19Å; G58-L62 PolarHBondContact O-N 3.26Å; A59-L62 PolarHBondContact O-N 3.25Å; T60-L62 VanDerWaalsContact C-N 3.3Å; T60-L62 PolarHBondContact O-N 2.72Å; L62-L65 HydrophobicContact CD2-CD1 4.22Å; L62-C76 HydrophobicContact CB-CB 4.32Å; L62-A79 HydrophobicContact CD1-CB 3.49Å; L62-A79 VanDerWaalsContact CD1-CB 3.49Å; L62-V94 HydrophobicContact CD1-CG1 4.45Å; L62-V94 HydrophobicContact CD1-CG2 3.73Å
63K90.8Very high89.5Confident101 Ų10147 Ų4744%0.43923%0.234SC..Hα-helixtrans-71.8-33.7173-74.7169-166.7163.20112.6A59 T60 I61 D80 D83A59-K63 VanDerWaalsContact O-CG 3.28Å; A59-K63 WeakPolarHBondContact O-CG 3.44Å; A59-K63 PolarHBondContact O-N 3.36Å; T60-K63 PolarHBondContact O-N 2.97Å; I61-K63 PolarHBondContact O-N 3.42Å; K63-D80 WeakPolarHBondContact CE-OD1 3.22Å; K63-D80 WeakPolarHBondContact CG-OD1 3.35Å; K63-D80 IonicContact NZ-OD1 3.81Å; K63-D83 IonicContact NZ-OD2 3.84Å; K63-D83 PolarHBondContact NZ-OD2 2.85Å
64L90.1Very high89.7Confident83 Ų8347.1 Ų47.144%0.43524%0.235SC..Hα-helixtrans-83-17.8179.8-68.6172.9000112.6L45 T53 T60 I61L45-L64 HydrophobicContact CB-CD1 4.35Å; L45-L64 HydrophobicContact CD1-CB 3.81Å; L45-L64 HydrophobicContact CD1-CD1 3.7Å; L45-L64 HydrophobicContact CD1-CG 4.4Å; T53-L64 HydrophobicContact CG2-CD1 3.94Å; T60-L64 HydrophobicContact CG2-CD1 4.17Å; T60-L64 WeakPolarHBondContact O-CG 3.31Å; T60-L64 PolarHBondContact O-N 2.69Å; I61-L64 PolarHBondContact O-N 2.84Å
65L89.8Confident89.9Confident49 Ų4944.3 Ų44.326%0.25722%0.22SC..SBendtrans-79.8123.7175.2-71.3172.6000110.9I31 I61 L62 V67I31-L65 HydrophobicContact CD1-CD1 3.77Å; I31-L65 HydrophobicContact CG2-CD1 4.37Å; I61-L65 HydrophobicContact CG2-CD1 4.06Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 2.79Å; L62-L65 HydrophobicContact CD2-CD1 4.22Å; L65-V67 HydrophobicContact CB-CG2 4.19Å; L65-V67 PolarHBondContact O-N 2.93Å
66E87.8Confident90.1Very high181 Ų18145 Ų4585%0.84623%0.225SC*.  trans-78.3109169.6-60.8-164.6154.100110.1
67V88.9Confident90.3Very high40 Ų4049.5 Ų49.524%0.24225%0.246CC..  trans-109.9115.4-174.6-178.20000110.8I28 L65 A72I28-V67 HydrophobicContact CD1-CG2 4.07Å; L65-V67 HydrophobicContact CB-CG2 4.19Å; L65-V67 PolarHBondContact O-N 2.93Å; V67-A72 HydrophobicContact CG1-CB 3.19Å
68E86.5Confident90.6Very high179 Ų17949.5 Ų49.584%0.83625%0.246SC*.  trans-81.4-32.6177.1-61.5-170.6172.100113.3
69H89Confident90.8Very high35 Ų3549.5 Ų49.516%0.16225%0.246CC..SBendtrans-81.3128.4-170.7-167-74.3000111.9N21 A24 A71 A72 K73N21-H69 PolarHBondContact OD1-CE1 2.85Å; N21-H69 VanDerWaalsContact OD1-CE1 3.23Å; A24-H69 HydrophobicContact CB-CB 4.16Å; H69-A71 PolarHBondContact ND1-N 3.12Å; H69-A71 VanDerWaalsContact ND1-N 3.2Å; H69-A71 PolarHBondContact O-N 3.42Å; H69-A72 HydrophobicContact CB-CB 4.25Å; H69-A72 WeakPolarHBondContact O-CB 3.34Å; H69-A72 PolarHBondContact O-N 3.21Å; H69-K73 PolarHBondContact O-N 2.81Å
70P88.5Confident90.9Very high62 Ų6251.3 Ų51.340%0.40326%0.256SS..Hα-helixtrans-57.9-42.6-175.6-27.434.9000114.7A72 K73 V74 L530P70-A72 PolarHBondContact O-N 3.05Å; P70-K73 WeakPolarHBondContact O-CB 3.38Å; P70-K73 PolarHBondContact O-N 3.39Å; P70-K73 VanDerWaalsContact O-N 3.17Å; P70-V74 WeakPolarHBondContact O-CG2 3.48Å; P70-V74 PolarHBondContact O-N 3.07Å; P70-L530 HydrophobicContact CG-CD1 4Å
71A89.5Confident91Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-60.8-35.1177.500000112.9N21 H69 L75 I524N21-A71 HydrophobicContact CB-CB 3.99Å; H69-A71 PolarHBondContact ND1-N 3.12Å; H69-A71 VanDerWaalsContact ND1-N 3.2Å; H69-A71 PolarHBondContact O-N 3.42Å; A71-L75 PolarHBondContact O-N 3.47Å; A71-I524 HydrophobicContact CB-CD1 4.23Å; A71-I524 HydrophobicContact CB-CG1 4.35Å; A71-I524 HydrophobicContact CB-CG2 4.28Å
72A91.5Very high91Very high4 Ų454.7 Ų54.73%0.03327%0.273CS..Hα-helixtrans-75-37177.200000110.9A24 I28 V67 H69 P70 V74 L75 C76A24-A72 HydrophobicContact CB-CB 4.41Å; I28-A72 HydrophobicContact CD1-CB 4.18Å; I28-A72 HydrophobicContact CG1-CB 3.56Å; V67-A72 HydrophobicContact CG1-CB 3.19Å; H69-A72 HydrophobicContact CB-CB 4.25Å; H69-A72 WeakPolarHBondContact O-CB 3.34Å; H69-A72 PolarHBondContact O-N 3.21Å; P70-A72 PolarHBondContact O-N 3.05Å; A72-V74 VanDerWaalsContact C-N 3.32Å; A72-V74 PolarHBondContact O-N 3.12Å; A72-L75 WeakPolarHBondContact O-CB 3.34Å; A72-L75 PolarHBondContact O-N 3.45Å; A72-C76 PolarHBondContact O-N 3.22Å; A72-C76 PolarHBondContact O-SG 2.9Å
73K91.9Very high90.9Very high117 Ų11755.9 Ų55.951%0.50928%0.279SS..Hα-helixtrans-59.1-40.7172.2-175176.8178.2176.70112.6H69 P70 L75 C76 E77H69-K73 PolarHBondContact O-N 2.81Å; P70-K73 WeakPolarHBondContact O-CB 3.38Å; P70-K73 PolarHBondContact O-N 3.39Å; P70-K73 VanDerWaalsContact O-N 3.17Å; K73-L75 PolarHBondContact O-N 3.3Å; K73-C76 PolarHBondContact O-N 2.87Å; K73-C76 VanDerWaalsContact O-N 3.13Å; K73-E77 WeakPolarHBondContact CE-OE1 3.48Å; K73-E77 WeakPolarHBondContact O-CG 3.4Å; K73-E77 PolarHBondContact O-N 3.13Å
74V93Very high90.8Very high40 Ų4058.1 Ų58.124%0.24229%0.289CS..Hα-helixtrans-59-36.7174.5172.30000111.4P70 A72 L78 A520 I524P70-V74 WeakPolarHBondContact O-CG2 3.48Å; P70-V74 PolarHBondContact O-N 3.07Å; A72-V74 VanDerWaalsContact C-N 3.32Å; A72-V74 PolarHBondContact O-N 3.12Å; V74-L78 VanDerWaalsContact O-CB 3.31Å; V74-L78 WeakPolarHBondContact O-CB 3.49Å; V74-L78 PolarHBondContact O-N 3.37Å; V74-A520 HydrophobicContact CG1-CB 4.39Å; V74-I524 HydrophobicContact CB-CD1 4.26Å; V74-I524 HydrophobicContact CB-CG1 4.48Å; V74-I524 HydrophobicContact CG1-CD1 4.11Å; V74-I524 HydrophobicContact CG1-CG1 4.31Å
75L93.3Very high90.6Very high0 Ų058.3 Ų58.30%029%0.288CS..Hα-helixtrans-72.1-34.2175.2-67.9178.6000113A25 I28 A71 A72 K73 L78 A79 V94 A97A25-L75 HydrophobicContact CB-CD1 3.73Å; I28-L75 HydrophobicContact CB-CD1 4.31Å; I28-L75 HydrophobicContact CG2-CB 4.37Å; I28-L75 HydrophobicContact CG2-CD1 4.32Å; A71-L75 PolarHBondContact O-N 3.47Å; A72-L75 WeakPolarHBondContact O-CB 3.34Å; A72-L75 PolarHBondContact O-N 3.45Å; K73-L75 PolarHBondContact O-N 3.3Å; L75-L78 HydrophobicContact CD2-CD2 3.99Å; L75-L78 WeakPolarHBondContact O-CB 3.42Å; L75-L78 PolarHBondContact O-N 2.75Å; L75-A79 PolarHBondContact O-N 3.49Å; L75-A79 VanDerWaalsContact O-N 3.1Å; L75-V94 HydrophobicContact CB-CG1 4.46Å; L75-V94 HydrophobicContact CD1-CG1 4.39Å; L75-A97 HydrophobicContact CD2-CB 3.68Å
76C92.9Very high90.3Very high16 Ų1656.1 Ų56.111%0.10828%0.276CS..Hα-helixtrans-64.7-46.8172.5-61.90000110.9L62 A72 K73 L78 A79 D80L62-C76 HydrophobicContact CB-CB 4.32Å; A72-C76 PolarHBondContact O-N 3.22Å; A72-C76 PolarHBondContact O-SG 2.9Å; K73-C76 PolarHBondContact O-N 2.87Å; K73-C76 VanDerWaalsContact O-N 3.13Å; C76-L78 PolarHBondContact O-N 3.15Å; C76-A79 PolarHBondContact O-N 3.17Å; C76-D80 PolarHBondContact O-N 2.96Å
77E92.3Very high90.1Very high100 Ų10047.6 Ų47.647%0.46724%0.236SC..Hα-helixtrans-61.2-34.7175.6-70.1175.9-172.600111.9K73 D80 L81K73-E77 WeakPolarHBondContact CE-OE1 3.48Å; K73-E77 WeakPolarHBondContact O-CG 3.4Å; K73-E77 PolarHBondContact O-N 3.13Å; E77-D80 WeakPolarHBondContact O-CB 3.27Å; E77-D80 PolarHBondContact O-N 3.45Å; E77-L81 WeakPolarHBondContact O-CB 3.42Å; E77-L81 VanDerWaalsContact O-CG 3.26Å; E77-L81 WeakPolarHBondContact O-CG 3.26Å; E77-L81 PolarHBondContact O-N 3.02Å
78L93.8Very high89.9Confident11 Ų1147.5 Ų47.56%0.05823%0.234CC..Hα-helixtrans-62.5-46.4174.9-175.767.9000112.6V74 L75 C76 D80 L81 Q82 V93 A97 F516 A520V74-L78 VanDerWaalsContact O-CB 3.31Å; V74-L78 WeakPolarHBondContact O-CB 3.49Å; V74-L78 PolarHBondContact O-N 3.37Å; L75-L78 HydrophobicContact CD2-CD2 3.99Å; L75-L78 WeakPolarHBondContact O-CB 3.42Å; L75-L78 PolarHBondContact O-N 2.75Å; C76-L78 PolarHBondContact O-N 3.15Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-L81 PolarHBondContact O-N 3Å; L78-Q82 PolarHBondContact O-N 3.36Å; L78-V93 HydrophobicContact CD1-CG2 4.23Å; L78-V93 HydrophobicContact CD2-CG2 3.88Å; L78-V93 HydrophobicContact CG-CG1 4.43Å; L78-V93 HydrophobicContact CG-CG2 3.91Å; L78-A97 HydrophobicContact CD2-CB 3.84Å; L78-F516 HydrophobicContact CD1-CB 3.57Å; L78-F516 WeakPolarHBondContact CD1-O 3.42Å; L78-A520 HydrophobicContact CD1-CB 3.99Å; L78-A520 HydrophobicContact CD2-CB 3.66Å; L78-A520 HydrophobicContact CG-CB 4.35Å
79A93.6Very high90.1Very high0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-63.6-41.8177.400000111A59 L62 L75 C76 L81 Q82 D83 V94A59-A79 HydrophobicContact CB-CB 4.33Å; L62-A79 HydrophobicContact CD1-CB 3.49Å; L62-A79 VanDerWaalsContact CD1-CB 3.49Å; L75-A79 PolarHBondContact O-N 3.49Å; L75-A79 VanDerWaalsContact O-N 3.1Å; C76-A79 PolarHBondContact O-N 3.17Å; A79-L81 VanDerWaalsContact C-N 3.35Å; A79-L81 PolarHBondContact O-N 3.16Å; A79-Q82 PolarHBondContact O-N 2.81Å; A79-D83 WeakPolarHBondContact O-CB 3.45Å; A79-D83 PolarHBondContact O-N 2.94Å; A79-V94 HydrophobicContact CB-CG2 3.92Å
80D91.7Very high90.2Very high38 Ų3838 Ų3820%0.20319%0.192CC..Hα-helixtrans-60.2-41174.2-88.117.2000113.2K63 C76 E77 L78 K84K63-D80 WeakPolarHBondContact CE-OD1 3.22Å; K63-D80 WeakPolarHBondContact CG-OD1 3.35Å; K63-D80 IonicContact NZ-OD1 3.81Å; C76-D80 PolarHBondContact O-N 2.96Å; E77-D80 WeakPolarHBondContact O-CB 3.27Å; E77-D80 PolarHBondContact O-N 3.45Å; L78-D80 VanDerWaalsContact C-N 3.33Å; D80-K84 WeakPolarHBondContact O-CB 3.41Å; D80-K84 WeakPolarHBondContact O-CD 3.27Å; D80-K84 VanDerWaalsContact O-CG 3.26Å; D80-K84 WeakPolarHBondContact O-CG 3.4Å; D80-K84 PolarHBondContact O-N 2.74Å; D80-K84 IonicContact OD2-NZ 2.71Å
81L92.3Very high90.4Very high90 Ų9035.9 Ų35.947%0.47118%0.179SC..Hα-helixtrans-65.5-43.4176.6-75.5172.1000110.8E77 L78 A79 K84 E85E77-L81 WeakPolarHBondContact O-CB 3.42Å; E77-L81 VanDerWaalsContact O-CG 3.26Å; E77-L81 WeakPolarHBondContact O-CG 3.26Å; E77-L81 PolarHBondContact O-N 3.02Å; L78-L81 PolarHBondContact O-N 3Å; A79-L81 VanDerWaalsContact C-N 3.35Å; A79-L81 PolarHBondContact O-N 3.16Å; L81-K84 PolarHBondContact O-N 3.14Å; L81-E85 WeakPolarHBondContact O-CB 3.46Å; L81-E85 WeakPolarHBondContact O-CG 3.3Å; L81-E85 PolarHBondContact O-N 3.49Å
82Q92.1Very high90.6Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-63.8-42.5177.1-177.366.919.900112L78 A79 E85 V86 G87 D88 T90 V93 S513 F516L78-Q82 PolarHBondContact O-N 3.36Å; A79-Q82 PolarHBondContact O-N 2.81Å; Q82-E85 PolarHBondContact O-N 2.83Å; Q82-V86 WeakPolarHBondContact O-CA 3.4Å; Q82-V86 WeakPolarHBondContact O-CB 3.35Å; Q82-V86 PolarHBondContact O-N 3.41Å; Q82-G87 PolarHBondContact O-N 3.23Å; Q82-G87 VanDerWaalsContact O-N 3.13Å; Q82-D88 WeakPolarHBondContact CG-O 3.49Å; Q82-D88 PolarHBondContact NE2-O 3.29Å; Q82-T90 HydrophobicContact CB-CG2 4.48Å; Q82-T90 HydrophobicContact CG-CG2 4.34Å; Q82-V93 HydrophobicContact CB-CG1 3.97Å; Q82-V93 HydrophobicContact CG-CG1 4.08Å; Q82-S513 PolarHBondContact NE2-OG 3.24Å; Q82-F516 VanDerWaalsContact OE1-CD2 3.25Å
83D90.1Very high90.8Very high28 Ų2836.3 Ų36.315%0.1518%0.181CC..Hα-helixtrans-58.9-50.3175.6-177.731.7000111.1A59 K63 A79 E85 G87 T90A59-D83 HydrophobicContact CB-CB 3.85Å; K63-D83 IonicContact NZ-OD2 3.84Å; K63-D83 PolarHBondContact NZ-OD2 2.85Å; A79-D83 WeakPolarHBondContact O-CB 3.45Å; A79-D83 PolarHBondContact O-N 2.94Å; D83-E85 PolarHBondContact O-N 2.96Å; D83-G87 WeakPolarHBondContact O-CA 3.33Å; D83-G87 PolarHBondContact O-N 3.03Å; D83-T90 HydrophobicContact CB-CG2 3.83Å
84K88.1Confident91Very high147 Ų14730.7 Ų30.764%0.63916%0.157SC*.Hα-helixtrans-67.2-38.7179-69.2165.9-171159.50113.3D80 L81D80-K84 WeakPolarHBondContact O-CB 3.41Å; D80-K84 WeakPolarHBondContact O-CD 3.27Å; D80-K84 VanDerWaalsContact O-CG 3.26Å; D80-K84 WeakPolarHBondContact O-CG 3.4Å; D80-K84 PolarHBondContact O-N 2.74Å; D80-K84 IonicContact OD2-NZ 2.71Å; L81-K84 PolarHBondContact O-N 3.14Å
85E85.6Confident91.2Very high88 Ų8828.8 Ų28.841%0.41115%0.146SC..Hα-helixtrans-86.5-24-173.9-81.8-67137.800114.2L81 Q82 D83 R401 K512 F516L81-E85 WeakPolarHBondContact O-CB 3.46Å; L81-E85 WeakPolarHBondContact O-CG 3.3Å; L81-E85 PolarHBondContact O-N 3.49Å; Q82-E85 PolarHBondContact O-N 2.83Å; D83-E85 PolarHBondContact O-N 2.96Å; E85-R401 PolarHBondContact O-NH2 3.12Å; E85-K512 HydrophobicContact CB-CD 4.44Å; E85-K512 PolarHBondContact O-NZ 3.34Å; E85-K512 VanDerWaalsContact O-NZ 3.16Å; E85-K512 IonicContact OE2-NZ 3.66Å; E85-K512 PolarHBondContact OE2-NZ 2.93Å; E85-F516 HydrophobicContact CB-CE2 4.24Å; E85-F516 HydrophobicContact CB-CZ 4.41Å; E85-F516 HydrophobicContact CG-CE2 4.48Å; E85-F516 HydrophobicContact CG-CZ 4.22Å
86V84.3Confident91.4Very high3 Ų329 Ų292%0.01815%0.147CC..THydrogen-bonded Turntrans-134.3-44-174.2-176.50000111.1Q82 V509 K512Q82-V86 WeakPolarHBondContact O-CA 3.4Å; Q82-V86 WeakPolarHBondContact O-CB 3.35Å; Q82-V86 PolarHBondContact O-N 3.41Å; V86-V509 HydrophobicContact CG1-CB 3.89Å; V86-V509 HydrophobicContact CG1-CG1 4.11Å; V86-V509 HydrophobicContact CG1-CG2 3.25Å; V86-K512 HydrophobicContact CG2-CB 4.12Å; V86-K512 HydrophobicContact CG2-CD 3.49Å; V86-K512 VanDerWaalsContact CG2-CD 3.49Å; V86-K512 HydrophobicContact CG2-CG 4.41Å
87G82.7Confident91.5Very high1 Ų128.3 Ų28.31%0.0114%0.142CC..SBendtrans82.510.5-176.500000114.1Q82 D83 D394Q82-G87 PolarHBondContact O-N 3.23Å; Q82-G87 VanDerWaalsContact O-N 3.13Å; D83-G87 WeakPolarHBondContact O-CA 3.33Å; D83-G87 PolarHBondContact O-N 3.03Å; G87-D394 WeakPolarHBondContact O-CA 3.33Å; G87-D394 WeakPolarHBondContact O-CB 3.44Å
88D85.9Confident91.7Very high38 Ų3823.7 Ų23.720%0.20312%0.121CC..SBendtrans-154.2163.2173.4-159.5-1.6000110.3Q82 T90 S155 V398Q82-D88 WeakPolarHBondContact CG-O 3.49Å; Q82-D88 PolarHBondContact NE2-O 3.29Å; D88-T90 VanDerWaalsContact C-N 3.35Å; D88-S155 PolarHBondContact OD2-OG 3.19Å; D88-V398 HydrophobicContact CB-CG2 3.54Å; D88-V398 WeakPolarHBondContact OD2-CG2 3.3Å
89G89.1Confident91.8Very high7 Ų724.4 Ų24.47%0.07212%0.124CC..  trans79.215.3-178.600000114.2T91 S92 V93G89-T91 VanDerWaalsContact C-N 3.33Å; G89-T91 PolarHBondContact O-N 3.06Å; G89-S92 WeakPolarHBondContact CA-OG 3.33Å; G89-S92 PolarHBondContact O-N 2.95Å; G89-S92 PolarHBondContact O-OG 2.82Å; G89-V93 PolarHBondContact O-N 3.09Å
90T91.9Very high92Very high7 Ų724.4 Ų24.44%0.04312%0.124CC..Hα-helixtrans-59-40.4-18055.10000112.1D57 A59 Q82 D83 D88 V93 V94D57-T90 PolarHBondContact OD1-OG1 3.45Å; A59-T90 HydrophobicContact CB-CG2 3.77Å; Q82-T90 HydrophobicContact CB-CG2 4.48Å; Q82-T90 HydrophobicContact CG-CG2 4.34Å; D83-T90 HydrophobicContact CB-CG2 3.83Å; D88-T90 VanDerWaalsContact C-N 3.35Å; T90-V93 VanDerWaalsContact O-CG1 3.25Å; T90-V93 WeakPolarHBondContact O-CG1 3.31Å; T90-V94 WeakPolarHBondContact O-CG2 3.27Å
91T93.1Very high92.1Very high18 Ų1822.6 Ų22.611%0.1111%0.114CC..Hα-helixtrans-69.4-47.9174.951.30000111.7L36 G89 V93 V94 I95L36-T91 WeakPolarHBondContact CD1-OG1 3.35Å; G89-T91 VanDerWaalsContact C-N 3.33Å; G89-T91 PolarHBondContact O-N 3.06Å; T91-V93 PolarHBondContact O-N 3.18Å; T91-V94 PolarHBondContact O-N 3.35Å; T91-I95 VanDerWaalsContact O-CG1 3.32Å; T91-I95 WeakPolarHBondContact O-CG1 3.28Å; T91-I95 PolarHBondContact O-N 2.92Å
92S94Very high92.3Very high13 Ų1323.2 Ų23.29%0.09111%0.113CC..Hα-helixtrans-61.8-40.2-176.270.30000113.1G89 V94 I95 I96G89-S92 WeakPolarHBondContact CA-OG 3.33Å; G89-S92 PolarHBondContact O-N 2.95Å; G89-S92 PolarHBondContact O-OG 2.82Å; S92-V94 VanDerWaalsContact C-N 3.33Å; S92-V94 PolarHBondContact O-N 3.5Å; S92-I95 PolarHBondContact O-N 3.31Å; S92-I96 VanDerWaalsContact O-CG1 3.26Å; S92-I96 WeakPolarHBondContact O-CG1 3.44Å; S92-I96 PolarHBondContact O-N 3.45Å
93V95.8Very high92.4Very high0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-64.9-37.8-178.267.10000111.8L78 Q82 G89 T90 T91 A97 F516 A517L78-V93 HydrophobicContact CD1-CG2 4.23Å; L78-V93 HydrophobicContact CD2-CG2 3.88Å; L78-V93 HydrophobicContact CG-CG1 4.43Å; L78-V93 HydrophobicContact CG-CG2 3.91Å; Q82-V93 HydrophobicContact CB-CG1 3.97Å; Q82-V93 HydrophobicContact CG-CG1 4.08Å; G89-V93 PolarHBondContact O-N 3.09Å; T90-V93 VanDerWaalsContact O-CG1 3.25Å; T90-V93 WeakPolarHBondContact O-CG1 3.31Å; T91-V93 PolarHBondContact O-N 3.18Å; V93-A97 VanDerWaalsContact O-CB 3.3Å; V93-A97 WeakPolarHBondContact O-CB 3.46Å; V93-A97 PolarHBondContact O-N 3.32Å; V93-F516 HydrophobicContact CG2-CB 4.12Å; V93-A517 HydrophobicContact CG2-CB 3.97Å
94V96.1Very high92.6Very high0 Ų022.3 Ų22.30%011%0.108CC..Hα-helixtrans-70.1-43178.4176.10000111I28 A29 V32 L62 L75 A79 T90 T91 S92 A97 A98I28-V94 HydrophobicContact CG2-CG1 4.21Å; A29-V94 HydrophobicContact CB-CG1 4.43Å; V32-V94 HydrophobicContact CG2-CB 4.3Å; V32-V94 HydrophobicContact CG2-CG1 3.99Å; L62-V94 HydrophobicContact CD1-CG1 4.45Å; L62-V94 HydrophobicContact CD1-CG2 3.73Å; L75-V94 HydrophobicContact CB-CG1 4.46Å; L75-V94 HydrophobicContact CD1-CG1 4.39Å; A79-V94 HydrophobicContact CB-CG2 3.92Å; T90-V94 WeakPolarHBondContact O-CG2 3.27Å; T91-V94 PolarHBondContact O-N 3.35Å; S92-V94 VanDerWaalsContact C-N 3.33Å; S92-V94 PolarHBondContact O-N 3.5Å; V94-A97 PolarHBondContact O-N 2.95Å; V94-A98 PolarHBondContact O-N 2.81Å
95I96.7Very high92.7Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-64.8-44.6179.3-61.3167.6000110.6V32 K33 L36 T91 S92 A98 E99 V447 I448V32-I95 HydrophobicContact CG2-CD1 4.49Å; V32-I95 HydrophobicContact CG2-CG1 3.97Å; K33-I95 HydrophobicContact CG-CD1 3.98Å; K33-I95 HydrophobicContact CG-CG1 3.95Å; K33-I95 HydrophobicContact CG-CG2 4.17Å; L36-I95 HydrophobicContact CB-CD1 4.07Å; L36-I95 HydrophobicContact CD1-CD1 4.23Å; L36-I95 HydrophobicContact CD2-CD1 3.92Å; L36-I95 HydrophobicContact CG-CD1 4.29Å; T91-I95 VanDerWaalsContact O-CG1 3.32Å; T91-I95 WeakPolarHBondContact O-CG1 3.28Å; T91-I95 PolarHBondContact O-N 2.92Å; S92-I95 PolarHBondContact O-N 3.31Å; I95-A98 PolarHBondContact O-N 2.95Å; I95-E99 PolarHBondContact O-N 2.85Å; I95-V447 HydrophobicContact CG2-CB 4.45Å; I95-V447 HydrophobicContact CG2-CG1 3.75Å; I95-V447 HydrophobicContact CG2-CG2 3.81Å; I95-I448 HydrophobicContact CB-CD1 4.19Å; I95-I448 HydrophobicContact CG2-CD1 4.14Å
96I96.8Very high93.1Very high5 Ų516.2 Ų16.23%0.0268%0.082CC..Hα-helixtrans-63.7-45.1177.5-65.8165.3000110.4S92 A98 E99 L100 L445 I448 A517S92-I96 VanDerWaalsContact O-CG1 3.26Å; S92-I96 WeakPolarHBondContact O-CG1 3.44Å; S92-I96 PolarHBondContact O-N 3.45Å; I96-A98 VanDerWaalsContact C-N 3.33Å; I96-A98 PolarHBondContact O-N 3.26Å; I96-E99 PolarHBondContact O-N 2.97Å; I96-L100 HydrophobicContact CG2-CD1 3.95Å; I96-L100 HydrophobicContact CG2-CG 4.25Å; I96-L100 WeakPolarHBondContact O-CB 3.32Å; I96-L100 VanDerWaalsContact O-CG 3.27Å; I96-L100 WeakPolarHBondContact O-CG 3.47Å; I96-L100 PolarHBondContact O-N 3.35Å; I96-L445 HydrophobicContact CG2-CD2 4.3Å; I96-I448 HydrophobicContact CD1-CD1 4.35Å; I96-I448 HydrophobicContact CD1-CG1 4.06Å; I96-I448 HydrophobicContact CG1-CD1 3.99Å; I96-I448 HydrophobicContact CG1-CG1 3.87Å; I96-A517 HydrophobicContact CB-CB 4.14Å; I96-A517 HydrophobicContact CG2-CB 3.84Å
97A96.5Very high93.4Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-59.8-42.6179.300000112.2L75 L78 V93 V94 L101 A517 A520L75-A97 HydrophobicContact CD2-CB 3.68Å; L78-A97 HydrophobicContact CD2-CB 3.84Å; V93-A97 VanDerWaalsContact O-CB 3.3Å; V93-A97 WeakPolarHBondContact O-CB 3.46Å; V93-A97 PolarHBondContact O-N 3.32Å; V94-A97 PolarHBondContact O-N 2.95Å; A97-L101 WeakPolarHBondContact O-CG 3.46Å; A97-L101 PolarHBondContact O-N 3.37Å; A97-L101 VanDerWaalsContact O-N 3.09Å; A97-A517 HydrophobicContact CB-CB 4.07Å; A97-A520 HydrophobicContact CB-CB 4.4Å
98A96.1Very high93.8Very high4 Ų417.1 Ų17.13%0.0339%0.087CC..Hα-helixtrans-68.3-39.5177.900000112.9A29 V94 I95 I96 L101 K102A29-A98 HydrophobicContact CB-CB 3.31Å; V94-A98 PolarHBondContact O-N 2.81Å; I95-A98 PolarHBondContact O-N 2.95Å; I96-A98 VanDerWaalsContact C-N 3.33Å; I96-A98 PolarHBondContact O-N 3.26Å; A98-L101 PolarHBondContact O-N 3.13Å; A98-K102 PolarHBondContact O-N 3.09Å
99E96.3Very high94Very high25 Ų2520.2 Ų20.212%0.11710%0.099CC..Hα-helixtrans-69.3-36.8177.3-157.768.9-154.700111.7I95 I96 L101 K102 N103 V447I95-E99 PolarHBondContact O-N 2.85Å; I96-E99 PolarHBondContact O-N 2.97Å; E99-L101 VanDerWaalsContact C-N 3.32Å; E99-L101 PolarHBondContact O-N 3.44Å; E99-K102 PolarHBondContact O-N 3.47Å; E99-K102 IonicContact OE1-NZ 3.84Å; E99-K102 PolarHBondContact OE1-NZ 2.96Å; E99-K102 IonicContact OE2-NZ 2.69Å; E99-N103 PolarHBondContact O-N 3.44Å; E99-N103 PolarHBondContact O-ND2 2.81Å; E99-V447 HydrophobicContact CB-CB 4.25Å; E99-V447 HydrophobicContact CB-CG1 4.11Å; E99-V447 HydrophobicContact CB-CG2 4.41Å; E99-V447 HydrophobicContact CG-CB 4.02Å; E99-V447 HydrophobicContact CG-CG1 4.39Å; E99-V447 HydrophobicContact CG-CG2 4.24Å
100L96.4Very high94.1Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-59.3-42.7171.6-73.4173.4000111.7I96 A104 Y121 F441 A517 A521I96-L100 HydrophobicContact CG2-CD1 3.95Å; I96-L100 HydrophobicContact CG2-CG 4.25Å; I96-L100 WeakPolarHBondContact O-CB 3.32Å; I96-L100 VanDerWaalsContact O-CG 3.27Å; I96-L100 WeakPolarHBondContact O-CG 3.47Å; I96-L100 PolarHBondContact O-N 3.35Å; L100-A104 WeakPolarHBondContact O-CB 3.32Å; L100-A104 PolarHBondContact O-N 3.48Å; L100-Y121 HydrophobicContact CB-CE2 4.25Å; L100-Y121 HydrophobicContact CD2-CE2 4.18Å; L100-Y121 PolarHBondContact O-OH 3.47Å; L100-Y121 VanDerWaalsContact O-OH 3.13Å; L100-F441 HydrophobicContact CD1-CD2 4.41Å; L100-F441 HydrophobicContact CD1-CE2 4.01Å; L100-F441 HydrophobicContact CD2-CB 4.37Å; L100-F441 HydrophobicContact CD2-CD2 3.35Å; L100-F441 HydrophobicContact CD2-CE2 3.76Å; L100-F441 HydrophobicContact CD2-CG 3.98Å; L100-A517 HydrophobicContact CD1-CB 4.47Å; L100-A521 HydrophobicContact CB-CB 3.94Å; L100-A521 HydrophobicContact CD1-CB 4.35Å
101L95.1Very high94Very high1 Ų133 Ų331%0.00515%0.154CC..Hα-helixtrans-64.6-42.5177.5-75168.5000112.5V22 A25 A97 A98 E99 A104 D105 A521 I524 L525V22-L101 HydrophobicContact CG2-CB 4.42Å; A25-L101 HydrophobicContact CB-CD1 3.67Å; A97-L101 WeakPolarHBondContact O-CG 3.46Å; A97-L101 PolarHBondContact O-N 3.37Å; A97-L101 VanDerWaalsContact O-N 3.09Å; A98-L101 PolarHBondContact O-N 3.13Å; E99-L101 VanDerWaalsContact C-N 3.32Å; E99-L101 PolarHBondContact O-N 3.44Å; L101-A104 PolarHBondContact O-N 3.33Å; L101-D105 PolarHBondContact O-N 2.92Å; L101-A521 HydrophobicContact CD2-CB 4.18Å; L101-A521 HydrophobicContact CG-CB 4.18Å; L101-I524 HydrophobicContact CD1-CB 4.31Å; L101-I524 HydrophobicContact CD1-CD1 3.66Å; L101-I524 HydrophobicContact CD1-CG2 4.17Å; L101-I524 HydrophobicContact CD2-CB 3.81Å; L101-I524 HydrophobicContact CD2-CG2 3.73Å; L101-L525 HydrophobicContact CD2-CD2 4.3Å; L101-L525 HydrophobicContact CD2-CG 3.91Å
102K95.1Very high93.8Very high103 Ų10332.9 Ų32.945%0.44815%0.152SC..Hα-helixtrans-62.4-47178.6-179.3-175.7159.4-149.50111.9V22 A98 E99 D105 E106V22-K102 HydrophobicContact CG1-CB 4.2Å; A98-K102 PolarHBondContact O-N 3.09Å; E99-K102 PolarHBondContact O-N 3.47Å; E99-K102 IonicContact OE1-NZ 3.84Å; E99-K102 PolarHBondContact OE1-NZ 2.96Å; E99-K102 IonicContact OE2-NZ 2.69Å; K102-D105 PolarHBondContact O-N 3.4Å; K102-E106 PolarHBondContact O-N 3.36Å
103N94.7Very high93.7Very high8 Ų837.8 Ų37.84%0.04317%0.174CC..Hα-helixtrans-73.1-32.1179.9-63.2-24.5000111.8E99 E106 L107 E440 S444E99-N103 PolarHBondContact O-N 3.44Å; E99-N103 PolarHBondContact O-ND2 2.81Å; N103-E106 PolarHBondContact O-N 3.21Å; N103-L107 WeakPolarHBondContact O-CG 3.49Å; N103-L107 PolarHBondContact O-N 2.92Å; N103-E440 HydrophobicContact CB-CB 4.13Å; N103-S444 PolarHBondContact ND2-OG 3.13Å
104A93.8Very high93.4Very high0 Ų038.9 Ų38.90%018%0.181CC..Hα-helixtrans-63.1-40.3171.800000112.6L100 L101 E106 L107 V108 V117 Y121 L525L100-A104 WeakPolarHBondContact O-CB 3.32Å; L100-A104 PolarHBondContact O-N 3.48Å; L101-A104 PolarHBondContact O-N 3.33Å; A104-E106 VanDerWaalsContact C-N 3.3Å; A104-E106 PolarHBondContact O-N 3.03Å; A104-L107 WeakPolarHBondContact O-CB 3.29Å; A104-L107 PolarHBondContact O-N 3.2Å; A104-V108 WeakPolarHBondContact O-CG2 3.44Å; A104-V108 PolarHBondContact O-N 3.49Å; A104-V117 HydrophobicContact CB-CG1 4Å; A104-Y121 HydrophobicContact CB-CE2 3.94Å; A104-Y121 WeakPolarHBondContact CB-OH 3.1Å; A104-Y121 PolarHBondContact N-OH 3.34Å; A104-L525 HydrophobicContact CB-CD1 3.56Å; A104-L525 HydrophobicContact CB-CD2 3.64Å; A104-L525 HydrophobicContact CB-CG 4.19Å
105D91.7Very high93.2Very high12 Ų1242.8 Ų42.86%0.06420%0.204CC..Hα-helixtrans-62.8-37177.1-174.362.8000112.2V22 L101 K102 L107 V108 K109V22-D105 HydrophobicContact CG2-CB 3.8Å; L101-D105 PolarHBondContact O-N 2.92Å; K102-D105 PolarHBondContact O-N 3.4Å; D105-L107 PolarHBondContact O-N 3.03Å; D105-V108 PolarHBondContact O-N 2.85Å; D105-K109 WeakPolarHBondContact O-CG 3.35Å; D105-K109 PolarHBondContact O-N 3.49Å; D105-K109 VanDerWaalsContact OD2-CE 3.29Å; D105-K109 WeakPolarHBondContact OD2-CE 3.45Å; D105-K109 IonicContact OD2-NZ 3.97Å; D105-K109 PolarHBondContact OD2-NZ 3.34Å
106E92.1Very high93Very high96 Ų9644.1 Ų44.145%0.44921%0.214SC..Hα-helixtrans-62.8-41.4173.7-168.8169178.600112K102 N103 A104 V108 K109 Q110K102-E106 PolarHBondContact O-N 3.36Å; N103-E106 PolarHBondContact O-N 3.21Å; A104-E106 VanDerWaalsContact C-N 3.3Å; A104-E106 PolarHBondContact O-N 3.03Å; E106-V108 PolarHBondContact O-N 2.94Å; E106-K109 WeakPolarHBondContact O-CB 3.1Å; E106-K109 PolarHBondContact O-N 3.37Å; E106-Q110 WeakPolarHBondContact O-CG 3.38Å; E106-Q110 PolarHBondContact O-N 3.15Å; E106-Q110 VanDerWaalsContact O-N 3.15Å
107L92.4Very high92.9Very high4 Ų444 Ų442%0.02121%0.213CC..Hα-helixtrans-65.1-38.2174-64.8176.8000112.3N103 A104 D105 K109 Q110 I112 V117 L436 A437 E440N103-L107 WeakPolarHBondContact O-CG 3.49Å; N103-L107 PolarHBondContact O-N 2.92Å; A104-L107 WeakPolarHBondContact O-CB 3.29Å; A104-L107 PolarHBondContact O-N 3.2Å; D105-L107 PolarHBondContact O-N 3.03Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-Q110 CarbonylContact O-C 3.41Å; L107-Q110 WeakPolarHBondContact O-CB 3.2Å; L107-Q110 PolarHBondContact O-N 3.43Å; L107-I112 HydrophobicContact CB-CD1 4.17Å; L107-I112 HydrophobicContact CD2-CD1 3.96Å; L107-I112 WeakPolarHBondContact O-CB 3.44Å; L107-I112 PolarHBondContact O-N 3.48Å; L107-V117 HydrophobicContact CB-CG2 4.03Å; L107-V117 HydrophobicContact CD1-CG1 4.03Å; L107-V117 HydrophobicContact CD1-CG2 4.11Å; L107-L436 HydrophobicContact CD2-CB 4.05Å; L107-A437 HydrophobicContact CD1-CB 4.31Å; L107-E440 HydrophobicContact CD1-CB 4.07Å; L107-E440 HydrophobicContact CD1-CG 3.93Å; L107-E440 HydrophobicContact CD2-CG 3.9Å; L107-E440 HydrophobicContact CG-CG 4.02Å
108V91Very high92.7Very high18 Ų1844.6 Ų44.611%0.10922%0.216CC..Hα-helixtrans-66.1-38.9177173.40000110.9A104 D105 E106 Q110 K111 P114A104-V108 WeakPolarHBondContact O-CG2 3.44Å; A104-V108 PolarHBondContact O-N 3.49Å; D105-V108 PolarHBondContact O-N 2.85Å; E106-V108 PolarHBondContact O-N 2.94Å; V108-Q110 PolarHBondContact O-N 3.18Å; V108-K111 WeakPolarHBondContact O-CA 3.34Å; V108-K111 PolarHBondContact O-N 2.86Å; V108-P114 HydrophobicContact CG1-CG 4.47Å; V108-P114 HydrophobicContact CG2-CB 4.44Å; V108-P114 HydrophobicContact CG2-CG 3.92Å
109K89.8Confident92.6Very high104 Ų10447.2 Ų47.245%0.45223%0.234SC..Hα-helixtrans-60.6-33.2172.3-77.2166.9174156.70112.5D105 E106 L107 K111D105-K109 WeakPolarHBondContact O-CG 3.35Å; D105-K109 PolarHBondContact O-N 3.49Å; D105-K109 VanDerWaalsContact OD2-CE 3.29Å; D105-K109 WeakPolarHBondContact OD2-CE 3.45Å; D105-K109 IonicContact OD2-NZ 3.97Å; D105-K109 PolarHBondContact OD2-NZ 3.34Å; E106-K109 WeakPolarHBondContact O-CB 3.1Å; E106-K109 PolarHBondContact O-N 3.37Å; L107-K109 VanDerWaalsContact C-N 3.34Å; K109-K111 PolarHBondContact O-N 3.49Å; K109-K111 VanDerWaalsContact O-N 3.1Å
110Q90.3Very high92.5Very high108 Ų10846 Ų4651%0.50523%0.229SC..THydrogen-bonded Turntrans-74.213.7171.3-63.6174.614.200114E106 L107 V108 I112E106-Q110 WeakPolarHBondContact O-CG 3.38Å; E106-Q110 PolarHBondContact O-N 3.15Å; E106-Q110 VanDerWaalsContact O-N 3.15Å; L107-Q110 CarbonylContact O-C 3.41Å; L107-Q110 WeakPolarHBondContact O-CB 3.2Å; L107-Q110 PolarHBondContact O-N 3.43Å; V108-Q110 PolarHBondContact O-N 3.18Å; Q110-I112 VanDerWaalsContact C-N 3.26Å; Q110-I112 PolarHBondContact O-N 3.21Å
111K89.4Confident92.5Very high173 Ų17346 Ų4675%0.75223%0.229SC*.THydrogen-bonded Turntrans65.323.4179.4-52.2-60.5-175.5-171.30114.1V108 K109V108-K111 WeakPolarHBondContact O-CA 3.34Å; V108-K111 PolarHBondContact O-N 2.86Å; K109-K111 PolarHBondContact O-N 3.49Å; K109-K111 VanDerWaalsContact O-N 3.1Å
112I90.6Very high92.5Very high17 Ų1752.4 Ų52.49%0.08725%0.253CS..  trans-82.4128.4169.1-57172.2000108.3L107 Q110 V117 L436L107-I112 HydrophobicContact CB-CD1 4.17Å; L107-I112 HydrophobicContact CD2-CD1 3.96Å; L107-I112 WeakPolarHBondContact O-CB 3.44Å; L107-I112 PolarHBondContact O-N 3.48Å; Q110-I112 VanDerWaalsContact C-N 3.26Å; Q110-I112 PolarHBondContact O-N 3.21Å; I112-V117 HydrophobicContact CG2-CG2 3.86Å; I112-L436 HydrophobicContact CD1-CB 4.4Å; I112-L436 HydrophobicContact CD1-CD1 3.69Å
113H90.3Very high92.5Very high116 Ų11650.3 Ų50.354%0.53725%0.246SC..  trans-65133.7-179.8-165.8-84.2000110.5T115 S116 V117H113-T115 PolarHBondContact CE1-OG1 3.02Å; H113-T115 WeakPolarHBondContact ND1-CB 3.47Å; H113-T115 PolarHBondContact ND1-N 2.87Å; H113-T115 PolarHBondContact ND1-OG1 2.82Å; H113-T115 PolarHBondContact O-N 3.41Å; H113-S116 WeakPolarHBondContact O-CB 3.37Å; H113-S116 PolarHBondContact O-N 2.81Å; H113-V117 PolarHBondContact O-N 3.36Å
114P91.2Very high92.5Very high23 Ų2350 Ų5015%0.14924%0.244CC..Hα-helixtrans-51.3-36.6-178.3-28.733.3000113.9V108 S116 V117 I118V108-P114 HydrophobicContact CG1-CG 4.47Å; V108-P114 HydrophobicContact CG2-CB 4.44Å; V108-P114 HydrophobicContact CG2-CG 3.92Å; P114-S116 VanDerWaalsContact C-N 3.32Å; P114-S116 PolarHBondContact O-N 3.44Å; P114-V117 WeakPolarHBondContact O-CB 3.24Å; P114-V117 PolarHBondContact O-N 2.89Å; P114-V117 VanDerWaalsContact O-N 3.13Å; P114-I118 VanDerWaalsContact O-CG1 3.29Å; P114-I118 WeakPolarHBondContact O-CG1 3.49Å; P114-I118 PolarHBondContact O-N 2.68Å
115T91.5Very high92.6Very high81 Ų8150.5 Ų50.550%0.49725%0.248SC..Hα-helixtrans-57.8-38.5175.8-47.40000113.7H113 I118 S119H113-T115 PolarHBondContact CE1-OG1 3.02Å; H113-T115 WeakPolarHBondContact ND1-CB 3.47Å; H113-T115 PolarHBondContact ND1-N 2.87Å; H113-T115 PolarHBondContact ND1-OG1 2.82Å; H113-T115 PolarHBondContact O-N 3.41Å; T115-I118 PolarHBondContact O-N 3.22Å; T115-S119 PolarHBondContact O-N 3.42Å; T115-S119 PolarHBondContact O-OG 2.95Å
116S92.4Very high92.8Very high29 Ų2957.5 Ų57.520%0.20328%0.278CS..Hα-helixtrans-68.1-38.8176.6-63.20000111.2H113 P114 S119 G120H113-S116 WeakPolarHBondContact O-CB 3.37Å; H113-S116 PolarHBondContact O-N 2.81Å; P114-S116 VanDerWaalsContact C-N 3.32Å; P114-S116 PolarHBondContact O-N 3.44Å; S116-S119 PolarHBondContact O-N 3.44Å; S116-G120 PolarHBondContact O-N 3.29Å
117V93.6Very high92.9Very high1 Ų153.4 Ų53.41%0.00626%0.259CS..Hα-helixtrans-63.2-45.9174.9-175.80000110.6A104 L107 I112 H113 P114 S119 G120 Y121 A437A104-V117 HydrophobicContact CB-CG1 4Å; L107-V117 HydrophobicContact CB-CG2 4.03Å; L107-V117 HydrophobicContact CD1-CG1 4.03Å; L107-V117 HydrophobicContact CD1-CG2 4.11Å; I112-V117 HydrophobicContact CG2-CG2 3.86Å; H113-V117 PolarHBondContact O-N 3.36Å; P114-V117 WeakPolarHBondContact O-CB 3.24Å; P114-V117 PolarHBondContact O-N 2.89Å; P114-V117 VanDerWaalsContact O-N 3.13Å; V117-S119 VanDerWaalsContact C-N 3.34Å; V117-S119 PolarHBondContact O-N 3.41Å; V117-G120 PolarHBondContact O-N 3.03Å; V117-G120 VanDerWaalsContact O-N 3.17Å; V117-Y121 HydrophobicContact CG1-CD1 4.29Å; V117-Y121 HydrophobicContact CG1-CD2 4.31Å; V117-Y121 HydrophobicContact CG1-CE1 3.92Å; V117-Y121 HydrophobicContact CG1-CE2 3.94Å; V117-Y121 HydrophobicContact CG1-CG 4.48Å; V117-Y121 PolarHBondContact O-N 3.44Å; V117-A437 HydrophobicContact CG1-CB 4.26Å
118I93.9Very high93.1Very high13 Ų1353.2 Ų53.27%0.06726%0.258CS..Hα-helixtrans-58.2-44.8176.6-70.2164.7000111.3P114 T115 Y121 R122 I522 L525 R526P114-I118 VanDerWaalsContact O-CG1 3.29Å; P114-I118 WeakPolarHBondContact O-CG1 3.49Å; P114-I118 PolarHBondContact O-N 2.68Å; T115-I118 PolarHBondContact O-N 3.22Å; I118-Y121 PolarHBondContact O-N 3.37Å; I118-R122 WeakPolarHBondContact O-CG 3.43Å; I118-R122 PolarHBondContact O-N 3.45Å; I118-I522 HydrophobicContact CB-CG1 4.41Å; I118-I522 HydrophobicContact CD1-CG2 4.24Å; I118-I522 HydrophobicContact CG1-CB 4.49Å; I118-I522 HydrophobicContact CG1-CG1 4.19Å; I118-I522 HydrophobicContact CG1-CG2 4.16Å; I118-I522 HydrophobicContact CG2-CB 4.43Å; I118-I522 HydrophobicContact CG2-CD1 4.08Å; I118-I522 HydrophobicContact CG2-CG1 3.92Å; I118-I522 HydrophobicContact CG2-CG2 3.71Å; I118-L525 HydrophobicContact CD1-CB 4.37Å; I118-L525 HydrophobicContact CG1-CB 4.49Å; I118-R526 HydrophobicContact CD1-CG 3.75Å
119S93Very high93.2Very high59 Ų5953.2 Ų53.241%0.41326%0.258SS..Hα-helixtrans-61.5-43.9176.3-67.30000111.8T115 S116 V117 R122 L123T115-S119 PolarHBondContact O-N 3.42Å; T115-S119 PolarHBondContact O-OG 2.95Å; S116-S119 PolarHBondContact O-N 3.44Å; V117-S119 VanDerWaalsContact C-N 3.34Å; V117-S119 PolarHBondContact O-N 3.41Å; S119-R122 PolarHBondContact O-N 2.91Å; S119-L123 PolarHBondContact O-N 3.3Å
120G94.4Very high93.5Very high0 Ų053.9 Ų53.90%026%0.258CS..Hα-helixtrans-61.1-46.4175.500000112.8S116 V117 R122 L123 A124S116-G120 PolarHBondContact O-N 3.29Å; V117-G120 PolarHBondContact O-N 3.03Å; V117-G120 VanDerWaalsContact O-N 3.17Å; G120-R122 PolarHBondContact O-N 2.96Å; G120-L123 PolarHBondContact O-N 3.3Å; G120-A124 WeakPolarHBondContact O-CB 3.46Å; G120-A124 PolarHBondContact O-N 2.97Å
121Y95.9Very high93.6Very high0 Ų049.4 Ų49.40%024%0.236CC..Hα-helixtrans-63.4-39.5177.7-73.40.6000112.7L100 A104 V117 I118 L123 A124 C125 A437 F441 L525L100-Y121 HydrophobicContact CB-CE2 4.25Å; L100-Y121 HydrophobicContact CD2-CE2 4.18Å; L100-Y121 PolarHBondContact O-OH 3.47Å; L100-Y121 VanDerWaalsContact O-OH 3.13Å; A104-Y121 HydrophobicContact CB-CE2 3.94Å; A104-Y121 WeakPolarHBondContact CB-OH 3.1Å; A104-Y121 PolarHBondContact N-OH 3.34Å; V117-Y121 HydrophobicContact CG1-CD1 4.29Å; V117-Y121 HydrophobicContact CG1-CD2 4.31Å; V117-Y121 HydrophobicContact CG1-CE1 3.92Å; V117-Y121 HydrophobicContact CG1-CE2 3.94Å; V117-Y121 HydrophobicContact CG1-CG 4.48Å; V117-Y121 PolarHBondContact O-N 3.44Å; I118-Y121 PolarHBondContact O-N 3.37Å; Y121-L123 VanDerWaalsContact C-N 3.33Å; Y121-L123 PolarHBondContact O-N 2.93Å; Y121-A124 PolarHBondContact O-N 2.88Å; Y121-C125 VanDerWaalsContact O-CB 3.27Å; Y121-C125 WeakPolarHBondContact O-CB 3.35Å; Y121-C125 PolarHBondContact O-N 2.94Å; Y121-A437 HydrophobicContact CD1-CB 4.36Å; Y121-A437 WeakPolarHBondContact CD1-O 3.32Å; Y121-A437 HydrophobicContact CE1-CB 4.41Å; Y121-A437 WeakPolarHBondContact CE1-O 3.31Å; Y121-F441 HydrophobicContact CD1-CB 3.83Å; Y121-F441 AromaticContact CD1-CD2 3.79Å; Y121-F441 HydrophobicContact CD1-CD2 3.79Å; Y121-F441 HydrophobicContact CD1-CG 4.3Å; Y121-F441 HydrophobicContact CE1-CB 3.9Å; Y121-F441 HydrophobicContact CE1-CD2 4.32Å; Y121-F441 AromaticContact CG-CD2 3.92Å; Y121-F441 HydrophobicContact CG-CD2 3.92Å; Y121-L525 HydrophobicContact CE2-CD1 4.31Å
122R95.3Very high93.7Very high136 Ų13641.1 Ų41.151%0.51320%0.2SC..Hα-helixtrans-63.2-40.3174.1-76.4-179173.1177.5-1.4112I118 S119 G120 K126 I522I118-R122 WeakPolarHBondContact O-CG 3.43Å; I118-R122 PolarHBondContact O-N 3.45Å; S119-R122 PolarHBondContact O-N 2.91Å; G120-R122 PolarHBondContact O-N 2.96Å; R122-K126 WeakPolarHBondContact O-CG 3.48Å; R122-K126 PolarHBondContact O-N 3.22Å; R122-K126 VanDerWaalsContact O-N 3.16Å; R122-I522 HydrophobicContact CG-CD1 3.64Å
123L94.4Very high93.7Very high59 Ų5944.2 Ų44.231%0.30922%0.217SC..Hα-helixtrans-67.9-47.1177.6-174.759.3000110.9S119 G120 Y121 C125 K126 E127 Y426 M430 I438S119-L123 PolarHBondContact O-N 3.3Å; G120-L123 PolarHBondContact O-N 3.3Å; Y121-L123 VanDerWaalsContact C-N 3.33Å; Y121-L123 PolarHBondContact O-N 2.93Å; L123-C125 VanDerWaalsContact C-N 3.33Å; L123-C125 PolarHBondContact O-N 3.01Å; L123-K126 PolarHBondContact O-N 2.9Å; L123-E127 WeakPolarHBondContact O-CB 3.44Å; L123-E127 PolarHBondContact O-N 3.1Å; L123-Y426 HydrophobicContact CD2-CE1 4.35Å; L123-Y426 HydrophobicContact CG-CE1 4.24Å; L123-M430 HydrophobicContact CD2-CE 4.47Å; L123-I438 HydrophobicContact CD2-CD1 4.14Å
124A95.5Very high93.5Very high0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-57.1-44.4175.800000112G120 Y121 E127 A128 L423 I438 F441G120-A124 WeakPolarHBondContact O-CB 3.46Å; G120-A124 PolarHBondContact O-N 2.97Å; Y121-A124 PolarHBondContact O-N 2.88Å; A124-E127 PolarHBondContact O-N 2.97Å; A124-A128 VanDerWaalsContact O-CB 3.24Å; A124-A128 WeakPolarHBondContact O-CB 3.23Å; A124-A128 PolarHBondContact O-N 3.38Å; A124-L423 HydrophobicContact CB-CD2 4.19Å; A124-I438 HydrophobicContact CB-CB 4.49Å; A124-I438 HydrophobicContact CB-CG1 4.26Å; A124-I438 HydrophobicContact CB-CG2 4.1Å; A124-F441 HydrophobicContact CB-CB 4.01Å; A124-F441 HydrophobicContact CB-CD1 3.69Å; A124-F441 HydrophobicContact CB-CD2 4.19Å; A124-F441 HydrophobicContact CB-CE1 4.18Å; A124-F441 HydrophobicContact CB-CG 3.69Å
125C96Very high93Very high12 Ų1246.8 Ų46.88%0.08123%0.229CC..Hα-helixtrans-63.6-43.6178.5-176.50000112.4Y121 L123 E127 A128 V129 F441 T518Y121-C125 VanDerWaalsContact O-CB 3.27Å; Y121-C125 WeakPolarHBondContact O-CB 3.35Å; Y121-C125 PolarHBondContact O-N 2.94Å; L123-C125 VanDerWaalsContact C-N 3.33Å; L123-C125 PolarHBondContact O-N 3.01Å; C125-E127 VanDerWaalsContact C-N 3.31Å; C125-E127 PolarHBondContact O-N 3.49Å; C125-A128 PolarHBondContact O-N 3.24Å; C125-V129 VanDerWaalsContact O-CG2 3.3Å; C125-V129 WeakPolarHBondContact O-CG2 3.43Å; C125-V129 PolarHBondContact O-N 3.39Å; C125-F441 HydrophobicContact CB-CZ 4.31Å; C125-T518 HydrophobicContact CB-CG2 4.12Å
126K95.6Very high92.4Very high159 Ų15943 Ų4369%0.69121%0.206SC*.Hα-helixtrans-60.4-44.6175.3-74.5174.9-178.6-179.20111.5R122 L123 V129 R130R122-K126 WeakPolarHBondContact O-CG 3.48Å; R122-K126 PolarHBondContact O-N 3.22Å; R122-K126 VanDerWaalsContact O-N 3.16Å; L123-K126 PolarHBondContact O-N 2.9Å; K126-V129 PolarHBondContact O-N 2.74Å; K126-R130 PolarHBondContact O-N 3.24Å
127E94.9Very high92Very high9 Ų944.3 Ų44.34%0.04221%0.21CC..Hα-helixtrans-69-39.9-177.8-168.550.9-139.100112.1L123 A124 C125 V129 R130 Y131 Y422 L423 Y426L123-E127 WeakPolarHBondContact O-CB 3.44Å; L123-E127 PolarHBondContact O-N 3.1Å; A124-E127 PolarHBondContact O-N 2.97Å; C125-E127 VanDerWaalsContact C-N 3.31Å; C125-E127 PolarHBondContact O-N 3.49Å; E127-V129 PolarHBondContact O-N 3.4Å; E127-R130 VanDerWaalsContact CD-CZ 3.47Å; E127-R130 WeakPolarHBondContact O-CB 3.48Å; E127-R130 PolarHBondContact O-N 3.44Å; E127-R130 IonicContact OE1-CZ 2.91Å; E127-R130 IonicContact OE1-NE 3.96Å; E127-R130 PolarHBondContact OE1-NE 3.37Å; E127-R130 IonicContact OE1-NH2 2.87Å; E127-R130 PolarHBondContact OE1-NH2 3.21Å; E127-R130 IonicContact OE2-CZ 3.93Å; E127-R130 IonicContact OE2-NE 3.73Å; E127-R130 PolarHBondContact OE2-NE 3Å; E127-R130 IonicContact OE2-NH1 3.59Å; E127-R130 IonicContact OE2-NH2 2.61Å; E127-R130 PolarHBondContact OE2-NH2 2.61Å; E127-Y131 PolarHBondContact O-N 3.09Å; E127-Y422 HydrophobicContact CG-CE1 3.8Å; E127-Y422 WeakPolarHBondContact OE1-CE1 2.8Å; E127-Y422 PolarHBondContact OE1-OH 2.91Å; E127-L423 HydrophobicContact CB-CD2 4.17Å; E127-L423 HydrophobicContact CG-CD2 4.29Å; E127-Y426 HydrophobicContact CB-CE1 4.25Å; E127-Y426 HydrophobicContact CG-CD1 3.87Å; E127-Y426 HydrophobicContact CG-CD2 4.15Å; E127-Y426 HydrophobicContact CG-CE1 3.84Å; E127-Y426 HydrophobicContact CG-CE2 4.12Å; E127-Y426 HydrophobicContact CG-CG 4.01Å
128A95.4Very high91.5Very high0 Ų044.4 Ų44.40%021%0.211CC..Hα-helixtrans-59.9-46.117300000111.9A124 C125 R130 Y131 I132 L419 L423 L514A124-A128 VanDerWaalsContact O-CB 3.24Å; A124-A128 WeakPolarHBondContact O-CB 3.23Å; A124-A128 PolarHBondContact O-N 3.38Å; C125-A128 PolarHBondContact O-N 3.24Å; A128-R130 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 3.03Å; A128-Y131 PolarHBondContact O-N 3.17Å; A128-I132 WeakPolarHBondContact O-CG1 3.17Å; A128-I132 PolarHBondContact O-N 3.11Å; A128-L419 HydrophobicContact CB-CD1 4.31Å; A128-L419 HydrophobicContact CB-CD2 3.77Å; A128-L423 HydrophobicContact CB-CD1 4.2Å; A128-L514 HydrophobicContact CB-CD1 4.32Å
129V94.6Very high90.8Very high19 Ų1946.8 Ų46.812%0.11522%0.224CC..Hα-helixtrans-64.5-38.6178.4172.40000111.2C125 K126 E127 I132 N133 V511C125-V129 VanDerWaalsContact O-CG2 3.3Å; C125-V129 WeakPolarHBondContact O-CG2 3.43Å; C125-V129 PolarHBondContact O-N 3.39Å; K126-V129 PolarHBondContact O-N 2.74Å; E127-V129 PolarHBondContact O-N 3.4Å; V129-I132 PolarHBondContact O-N 3.3Å; V129-N133 VanDerWaalsContact O-CG 3.31Å; V129-N133 PolarHBondContact O-N 3.19Å; V129-N133 PolarHBondContact O-ND2 3.34Å; V129-N133 VanDerWaalsContact O-ND2 3.16Å; V129-V511 HydrophobicContact CG1-CG1 3.93Å; V129-V511 HydrophobicContact CG1-CG2 4.31Å; V129-V511 HydrophobicContact CG2-CG1 4.05Å
130R94.4Very high89.8Confident118 Ų11844.8 Ų44.845%0.44521%0.209SC..Hα-helixtrans-59.6-50.7173.4-178.1172.869.5179.711.4111K126 E127 A128 I132 N133 E134K126-R130 PolarHBondContact O-N 3.24Å; E127-R130 VanDerWaalsContact CD-CZ 3.47Å; E127-R130 WeakPolarHBondContact O-CB 3.48Å; E127-R130 PolarHBondContact O-N 3.44Å; E127-R130 IonicContact OE1-CZ 2.91Å; E127-R130 IonicContact OE1-NE 3.96Å; E127-R130 PolarHBondContact OE1-NE 3.37Å; E127-R130 IonicContact OE1-NH2 2.87Å; E127-R130 PolarHBondContact OE1-NH2 3.21Å; E127-R130 IonicContact OE2-CZ 3.93Å; E127-R130 IonicContact OE2-NE 3.73Å; E127-R130 PolarHBondContact OE2-NE 3Å; E127-R130 IonicContact OE2-NH1 3.59Å; E127-R130 IonicContact OE2-NH2 2.61Å; E127-R130 PolarHBondContact OE2-NH2 2.61Å; A128-R130 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 3.03Å; R130-I132 VanDerWaalsContact C-N 3.34Å; R130-I132 PolarHBondContact O-N 3.49Å; R130-N133 PolarHBondContact O-N 2.96Å; R130-N133 VanDerWaalsContact O-N 3.17Å; R130-E134 WeakPolarHBondContact CG-OE1 3.37Å; R130-E134 PolarHBondContact O-N 3.08Å; R130-E134 VanDerWaalsContact O-N 3.09Å
131Y93.1Very high88.6Confident13 Ų1349.6 Ų49.65%0.05123%0.234CC..Hα-helixtrans-60.4-41.2179.6-176.7-93.3000112.9E127 A128 N133 E134 N135 L136 A418 L419 Y422 Q475E127-Y131 PolarHBondContact O-N 3.09Å; A128-Y131 PolarHBondContact O-N 3.17Å; Y131-N133 VanDerWaalsContact C-N 3.32Å; Y131-N133 PolarHBondContact O-N 2.73Å; Y131-E134 PolarHBondContact O-N 3.04Å; Y131-N135 HydrophobicContact CD2-CB 4.26Å; Y131-N135 WeakPolarHBondContact CD2-ND2 2.85Å; Y131-N135 HydrophobicContact CE1-CB 4.27Å; Y131-N135 HydrophobicContact CE2-CB 3.92Å; Y131-N135 VanDerWaalsContact CE2-ND2 3.25Å; Y131-N135 WeakPolarHBondContact CE2-ND2 3.46Å; Y131-N135 WeakPolarHBondContact O-CB 3.42Å; Y131-N135 PolarHBondContact O-N 2.84Å; Y131-L136 HydrophobicContact CD1-CD1 3.88Å; Y131-L136 HydrophobicContact CD1-CG 4.37Å; Y131-L136 HydrophobicContact CE1-CD1 3.69Å; Y131-L136 HydrophobicContact CE1-CG 3.94Å; Y131-A418 HydrophobicContact CE1-CB 4.04Å; Y131-L419 HydrophobicContact CD1-CD2 3.75Å; Y131-L419 HydrophobicContact CG-CD2 4.35Å; Y131-Y422 AromaticContact CD2-CD1 3.66Å; Y131-Y422 HydrophobicContact CD2-CD1 3.66Å; Y131-Y422 AromaticContact CD2-CD2 3.58Å; Y131-Y422 HydrophobicContact CD2-CD2 3.58Å; Y131-Y422 AromaticContact CD2-CE1 3.77Å; Y131-Y422 HydrophobicContact CD2-CE1 3.77Å; Y131-Y422 AromaticContact CD2-CE2 3.72Å; Y131-Y422 HydrophobicContact CD2-CE2 3.72Å; Y131-Y422 AromaticContact CD2-CG 3.56Å; Y131-Y422 HydrophobicContact CD2-CG 3.56Å; Y131-Y422 AromaticContact CD2-CZ 3.82Å; Y131-Y422 HydrophobicContact CE2-CD1 4.4Å; Y131-Y422 AromaticContact CE2-CD2 3.69Å; Y131-Y422 HydrophobicContact CE2-CD2 3.69Å; Y131-Y422 HydrophobicContact CE2-CE2 4.13Å; Y131-Y422 AromaticContact CE2-CG 3.85Å; Y131-Y422 HydrophobicContact CE2-CG 3.85Å; Y131-Y422 AromaticContact CG-CD1 3.73Å; Y131-Y422 HydrophobicContact CG-CD1 3.73Å; Y131-Y422 HydrophobicContact CG-CD2 4.45Å; Y131-Y422 AromaticContact CG-CE1 3.97Å; Y131-Y422 HydrophobicContact CG-CE1 3.97Å; Y131-Y422 AromaticContact CG-CG 3.99Å; Y131-Y422 HydrophobicContact CG-CG 3.99Å; Y131-Q475 PolarHBondContact OH-NE2 3.39Å
132I92.1Very high87Confident0 Ų056.1 Ų56.10%027%0.265CS..Iπ-helixtrans-56.5-49.2175.5-71.4167.6000110.4A128 V129 R130 E134 L136 I137 V409 V415 L419 T507 K510 V511 L514A128-I132 WeakPolarHBondContact O-CG1 3.17Å; A128-I132 PolarHBondContact O-N 3.11Å; V129-I132 PolarHBondContact O-N 3.3Å; R130-I132 VanDerWaalsContact C-N 3.34Å; R130-I132 PolarHBondContact O-N 3.49Å; I132-E134 PolarHBondContact O-N 3.41Å; I132-L136 HydrophobicContact CG1-CD1 4.3Å; I132-L136 PolarHBondContact O-N 2.86Å; I132-L136 VanDerWaalsContact O-N 3.13Å; I132-I137 PolarHBondContact O-N 3.39Å; I132-V409 HydrophobicContact CG2-CG1 4.09Å; I132-V415 HydrophobicContact CD1-CG1 4.3Å; I132-V415 HydrophobicContact CG1-CG1 4.24Å; I132-L419 HydrophobicContact CD1-CD1 4.09Å; I132-L419 HydrophobicContact CG1-CD1 4.26Å; I132-L419 HydrophobicContact CG1-CD2 4.24Å; I132-T507 HydrophobicContact CG2-CG2 3.61Å; I132-K510 HydrophobicContact CD1-CB 4.47Å; I132-V511 HydrophobicContact CD1-CG2 4.38Å; I132-V511 HydrophobicContact CG2-CG2 4.24Å; I132-L514 HydrophobicContact CD1-CD1 3.78Å
133N89.4Confident85.4Confident82 Ų8252.1 Ų52.144%0.43925%0.254SS..Iπ-helixtrans-67.7-35.9-175-68.1-29.3000113V129 R130 Y131 I137V129-N133 VanDerWaalsContact O-CG 3.31Å; V129-N133 PolarHBondContact O-N 3.19Å; V129-N133 PolarHBondContact O-ND2 3.34Å; V129-N133 VanDerWaalsContact O-ND2 3.16Å; R130-N133 PolarHBondContact O-N 2.96Å; R130-N133 VanDerWaalsContact O-N 3.17Å; Y131-N133 VanDerWaalsContact C-N 3.32Å; Y131-N133 PolarHBondContact O-N 2.73Å; N133-I137 HydrophobicContact CB-CD1 4.36Å; N133-I137 WeakPolarHBondContact O-CD1 3.29Å
134E87.1Confident84.7Confident130 Ų13051.3 Ų51.361%0.60726%0.26SS*.Iπ-helixtrans-84.9-38.8-176-68.8172.6-173.800112.7R130 Y131 I132R130-E134 WeakPolarHBondContact CG-OE1 3.37Å; R130-E134 PolarHBondContact O-N 3.08Å; R130-E134 VanDerWaalsContact O-N 3.09Å; Y131-E134 PolarHBondContact O-N 3.04Å; I132-E134 PolarHBondContact O-N 3.41Å
135N79.7Confident84.2Confident63 Ų6356.1 Ų56.134%0.33728%0.278SS..Iπ-helixtrans-117.1-20.6-164.1-66.1-50.4000114.7Y131 K484Y131-N135 HydrophobicContact CD2-CB 4.26Å; Y131-N135 WeakPolarHBondContact CD2-ND2 2.85Å; Y131-N135 HydrophobicContact CE1-CB 4.27Å; Y131-N135 HydrophobicContact CE2-CB 3.92Å; Y131-N135 VanDerWaalsContact CE2-ND2 3.25Å; Y131-N135 WeakPolarHBondContact CE2-ND2 3.46Å; Y131-N135 WeakPolarHBondContact O-CB 3.42Å; Y131-N135 PolarHBondContact O-N 2.84Å; N135-K484 WeakPolarHBondContact O-CD 3.47Å; N135-K484 VanDerWaalsContact O-CE 3.25Å; N135-K484 WeakPolarHBondContact O-CE 3.45Å; N135-K484 PolarHBondContact O-NZ 3.37Å
136L80.1Confident83.7Confident1 Ų160.8 Ų60.81%0.00530%0.302CS..Iπ-helixtrans-113.3-6.2-172.3-70.9168.1000114.7Y131 I132 V409 V415 A418 W485Y131-L136 HydrophobicContact CD1-CD1 3.88Å; Y131-L136 HydrophobicContact CD1-CG 4.37Å; Y131-L136 HydrophobicContact CE1-CD1 3.69Å; Y131-L136 HydrophobicContact CE1-CG 3.94Å; I132-L136 HydrophobicContact CG1-CD1 4.3Å; I132-L136 PolarHBondContact O-N 2.86Å; I132-L136 VanDerWaalsContact O-N 3.13Å; L136-V409 HydrophobicContact CB-CG1 4.26Å; L136-V415 HydrophobicContact CD1-CB 4.46Å; L136-V415 HydrophobicContact CD1-CG1 4.15Å; L136-V415 HydrophobicContact CD1-CG2 4.29Å; L136-A418 HydrophobicContact CD1-CB 4.13Å; L136-A418 HydrophobicContact CD2-CB 4.24Å; L136-W485 VanDerWaalsContact C-CH2 3.49Å; L136-W485 HydrophobicContact CB-CZ3 4.25Å; L136-W485 HydrophobicContact CD2-CE3 4.2Å; L136-W485 HydrophobicContact CD2-CZ3 3.83Å; L136-W485 VanDerWaalsContact O-CH2 3.25Å; L136-W485 WeakPolarHBondContact O-CH2 3.4Å; L136-W485 WeakPolarHBondContact O-CZ3 3.45Å
137I83.4Confident83.2Confident56 Ų5653.3 Ų53.329%0.28727%0.269SS..  trans-71.5132.9177.4-69.3-179.3000110.7I132 N133 T507I132-I137 PolarHBondContact O-N 3.39Å; N133-I137 HydrophobicContact CB-CD1 4.36Å; N133-I137 WeakPolarHBondContact O-CD1 3.29Å; I137-T507 HydrophobicContact CD1-CG2 4.2Å; I137-T507 HydrophobicContact CG1-CG2 4.13Å
138V82.9Confident83Confident4 Ų453.7 Ų53.72%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-110.9129.4161.1-177.30000107L143 V408 W485 K499V138-L143 HydrophobicContact CG1-CD1 3.72Å; V138-L143 HydrophobicContact CG1-CG 4.47Å; V138-V408 HydrophobicContact CB-CG2 4.11Å; V138-V408 PolarHBondContact N-O 3.05Å; V138-V408 WeakPolarHBondContact O-CG2 3.42Å; V138-V408 PolarHBondContact O-N 3.31Å; V138-W485 HydrophobicContact CG2-CH2 3.54Å; V138-W485 HydrophobicContact CG2-CZ2 3.62Å; V138-W485 HydrophobicContact CG2-CZ3 4.15Å; V138-K499 HydrophobicContact CG2-CD 4.49Å
139N80.2Confident82.8Confident63 Ų6354.7 Ų54.734%0.33728%0.277SS..EExtended strand (participates in β ladder)trans-78.2132.8-178.1-169.2-20.8000110.1D141 E142 K406N139-D141 PolarHBondContact O-N 3.35Å; N139-D141 PolarHBondContact OD1-N 2.84Å; N139-E142 HydrophobicContact CB-CG 4.3Å; N139-E142 PolarHBondContact O-N 2.84Å; N139-K406 PolarHBondContact OD1-O 3.03Å
140T71Confident82.6Confident16 Ų1656 Ų5610%0.09828%0.283CS..G310 helixtrans-65.9-28.6179.256.30000112.7E142 L143 G144 V402 K406 V408T140-E142 PolarHBondContact O-N 3.46Å; T140-L143 PolarHBondContact O-N 3.25Å; T140-L143 VanDerWaalsContact O-N 3.09Å; T140-G144 PolarHBondContact O-N 2.85Å; T140-G144 VanDerWaalsContact O-N 3.13Å; T140-V402 HydrophobicContact CG2-CG1 3.49Å; T140-V402 VanDerWaalsContact CG2-CG1 3.49Å; T140-K406 PolarHBondContact N-O 2.98Å; T140-K406 VanDerWaalsContact N-O 3.12Å; T140-K406 VanDerWaalsContact OG1-CA 3.24Å; T140-K406 WeakPolarHBondContact OG1-CA 3.32Å; T140-K406 PolarHBondContact OG1-O 3.37Å; T140-V408 HydrophobicContact CG2-CG1 3.84Å; T140-V408 HydrophobicContact CG2-CG2 4.41Å
141D69.7Low82.4Confident101 Ų10150.3 Ų50.354%0.5426%0.262SS..G310 helixtrans-65.5-23.5-179.1-67.4-22.5000111.6N139 K406N139-D141 PolarHBondContact O-N 3.35Å; N139-D141 PolarHBondContact OD1-N 2.84Å; D141-K406 VanDerWaalsContact CG-NZ 3.33Å; D141-K406 IonicContact OD1-NZ 3.71Å; D141-K406 PolarHBondContact OD1-NZ 3.38Å; D141-K406 IonicContact OD2-NZ 2.74Å; D141-K406 PolarHBondContact OD2-NZ 3.47Å
142E61.9Low82.4Confident137 Ų13749.7 Ų49.764%0.6426%0.259SS*.G310 helixtrans-75.4-23.3175.2-64.6177.1-173.500113.2N139 T140N139-E142 HydrophobicContact CB-CG 4.3Å; N139-E142 PolarHBondContact O-N 2.84Å; T140-E142 PolarHBondContact O-N 3.46Å
143L63.2Low82.4Confident53 Ų5353.2 Ų53.228%0.27728%0.275SS..THydrogen-bonded Turntrans-112-10.8-168-66.6171.3000113.2V138 T140 C147 F504V138-L143 HydrophobicContact CG1-CD1 3.72Å; V138-L143 HydrophobicContact CG1-CG 4.47Å; T140-L143 PolarHBondContact O-N 3.25Å; T140-L143 VanDerWaalsContact O-N 3.09Å; L143-C147 HydrophobicContact CB-CB 3.5Å; L143-C147 HydrophobicContact CD1-CB 4.33Å; L143-C147 PolarHBondContact O-N 3.26Å; L143-F504 HydrophobicContact CD1-CE1 4.35Å; L143-F504 HydrophobicContact CD1-CE2 4.02Å; L143-F504 HydrophobicContact CD1-CZ 3.8Å
144G78.4Confident82.4Confident42 Ų4250.3 Ų50.343%0.43326%0.26SS..Hα-helixtrans61.5-148.4173.500000114.4T140 D146 C147T140-G144 PolarHBondContact O-N 2.85Å; T140-G144 VanDerWaalsContact O-N 3.13Å; G144-D146 VanDerWaalsContact C-N 3.29Å; G144-D146 PolarHBondContact O-N 2.95Å; G144-C147 VanDerWaalsContact O-CB 3.31Å; G144-C147 WeakPolarHBondContact O-CB 2.97Å; G144-C147 PolarHBondContact O-N 3.49Å
145R84.7Confident82.5Confident101 Ų10144.5 Ų44.538%0.38123%0.233SC..Hα-helixtrans-64.3-33-177.8-176.3172.3165.4122-1.7112.7C147 L148 I149 V173 D174R145-C147 PolarHBondContact O-N 2.94Å; R145-L148 WeakPolarHBondContact O-CB 3.28Å; R145-L148 PolarHBondContact O-N 2.89Å; R145-I149 HydrophobicContact CG-CD1 4.18Å; R145-I149 PolarHBondContact O-N 3.34Å; R145-V173 HydrophobicContact CG-CG1 4.34Å; R145-D174 IonicContact CZ-OD1 2.96Å; R145-D174 IonicContact NH1-OD1 3.16Å; R145-D174 PolarHBondContact NH1-OD1 2.89Å; R145-D174 IonicContact NH2-OD1 2.63Å; R145-D174 PolarHBondContact NH2-OD1 2.63Å; R145-D174 IonicContact NH2-OD2 2.67Å; R145-D174 PolarHBondContact NH2-OD2 3.38Å
146D86Confident82.9Confident109 Ų10941.5 Ų41.558%0.58322%0.217SC*.Hα-helixtrans-64.7-29.9-178.9-61.6-24.3000111.9G144 L148 I149 N150G144-D146 VanDerWaalsContact C-N 3.29Å; G144-D146 PolarHBondContact O-N 2.95Å; D146-L148 VanDerWaalsContact C-N 3.28Å; D146-L148 PolarHBondContact O-N 2.91Å; D146-I149 PolarHBondContact O-N 2.97Å; D146-N150 WeakPolarHBondContact O-CB 3.47Å; D146-N150 PolarHBondContact O-N 3.03Å; D146-N150 PolarHBondContact O-ND2 3.37Å
147C86Confident83.2Confident2 Ų243.6 Ų43.61%0.01423%0.232CC..Hα-helixtrans-57.3-42.2171.4-164.50000112.7L143 G144 R145 A151L143-C147 HydrophobicContact CB-CB 3.5Å; L143-C147 HydrophobicContact CD1-CB 4.33Å; L143-C147 PolarHBondContact O-N 3.26Å; G144-C147 VanDerWaalsContact O-CB 3.31Å; G144-C147 WeakPolarHBondContact O-CB 2.97Å; G144-C147 PolarHBondContact O-N 3.49Å; R145-C147 PolarHBondContact O-N 2.94Å; C147-A151 WeakPolarHBondContact O-CB 3.42Å; C147-A151 PolarHBondContact O-N 3.38Å
148L89Confident83.2Confident18 Ų1842.2 Ų42.29%0.09423%0.228CC..Hα-helixtrans-71.9-40.5-176.8-69.3138.8000110.5R145 D146 N150 A151 A152 V173 V399 V402 L403R145-L148 WeakPolarHBondContact O-CB 3.28Å; R145-L148 PolarHBondContact O-N 2.89Å; D146-L148 VanDerWaalsContact C-N 3.28Å; D146-L148 PolarHBondContact O-N 2.91Å; L148-N150 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 3.06Å; L148-A152 WeakPolarHBondContact O-CB 3.32Å; L148-A152 PolarHBondContact O-N 3.45Å; L148-V173 HydrophobicContact CB-CG1 4.18Å; L148-V173 HydrophobicContact CB-CG2 3.78Å; L148-V399 HydrophobicContact CD2-CG1 3.79Å; L148-V402 HydrophobicContact CD2-CB 4.31Å; L148-V402 HydrophobicContact CD2-CG1 4.03Å; L148-L403 HydrophobicContact CD1-CD2 4.11Å; L148-L403 HydrophobicContact CD2-CD1 4.17Å; L148-L403 HydrophobicContact CD2-CD2 3.51Å; L148-L403 HydrophobicContact CD2-CG 3.53Å; L148-L403 HydrophobicContact CG-CD2 4.45Å
149I92Very high83.2Confident20 Ų2043 Ų4310%0.10323%0.231CC..Hα-helixtrans-62.7-45.5175.2-62.9168.6000109.7R145 D146 A152 K153 A169 N170 V173R145-I149 HydrophobicContact CG-CD1 4.18Å; R145-I149 PolarHBondContact O-N 3.34Å; D146-I149 PolarHBondContact O-N 2.97Å; I149-A152 PolarHBondContact O-N 2.88Å; I149-K153 WeakPolarHBondContact O-CB 3.38Å; I149-K153 PolarHBondContact O-N 2.86Å; I149-A169 HydrophobicContact CG2-CB 3.81Å; I149-N170 VanDerWaalsContact CD1-OD1 3.3Å; I149-N170 WeakPolarHBondContact CD1-OD1 3.25Å; I149-V173 HydrophobicContact CG1-CG2 4.08Å
150N90.9Very high83.4Confident46 Ų4642 Ų4225%0.24623%0.225CC..Hα-helixtrans-65.4-41.9179-80.4-17.1000113D146 L148 K153 T154 G502 F504D146-N150 WeakPolarHBondContact O-CB 3.47Å; D146-N150 PolarHBondContact O-N 3.03Å; D146-N150 PolarHBondContact O-ND2 3.37Å; L148-N150 VanDerWaalsContact C-N 3.35Å; N150-K153 PolarHBondContact O-N 3.03Å; N150-T154 PolarHBondContact O-N 2.8Å; N150-T154 PolarHBondContact O-OG1 2.91Å; N150-G502 VanDerWaalsContact CB-O 3.27Å; N150-G502 WeakPolarHBondContact CB-O 3.47Å; N150-F504 HydrophobicContact CB-CD2 4.14Å
151A90Very high84.1Confident0 Ų041.2 Ų41.20%022%0.22CC..Hα-helixtrans-64.1-42.717400000111.8C147 L148 T154 S155 V398 V402C147-A151 WeakPolarHBondContact O-CB 3.42Å; C147-A151 PolarHBondContact O-N 3.38Å; L148-A151 PolarHBondContact O-N 3.06Å; A151-T154 PolarHBondContact O-N 2.62Å; A151-S155 PolarHBondContact O-N 3.41Å; A151-V398 HydrophobicContact CB-CG1 4.32Å; A151-V402 HydrophobicContact CB-CG2 3.91Å
152A91.9Very high84.7Confident0 Ų037.7 Ų37.70%021%0.207CC..Hα-helixtrans-61.9-45.9174.600000111.4L148 I149 T154 S155 M156 A169 V172 V399L148-A152 WeakPolarHBondContact O-CB 3.32Å; L148-A152 PolarHBondContact O-N 3.45Å; I149-A152 PolarHBondContact O-N 2.88Å; A152-T154 VanDerWaalsContact C-N 3.29Å; A152-T154 PolarHBondContact O-N 3.12Å; A152-S155 PolarHBondContact O-N 3.31Å; A152-M156 HydrophobicContact CB-CE 4.13Å; A152-M156 VanDerWaalsContact O-CE 3.28Å; A152-M156 WeakPolarHBondContact O-CE 3.06Å; A152-M156 WeakPolarHBondContact O-CG 3.37Å; A152-M156 PolarHBondContact O-N 3.12Å; A152-M156 VanDerWaalsContact O-N 3.14Å; A152-A169 HydrophobicContact CB-CB 4.04Å; A152-V172 HydrophobicContact CB-CG1 4.39Å; A152-V399 HydrophobicContact CB-CG2 3.68Å
153K92Very high85.8Confident74 Ų7438.6 Ų38.632%0.32222%0.215SC..Hα-helixtrans-57.8-42176.3-179.2-178.8-81.6-1690111.6I149 N150 M156 S157 D166 A169I149-K153 WeakPolarHBondContact O-CB 3.38Å; I149-K153 PolarHBondContact O-N 2.86Å; N150-K153 PolarHBondContact O-N 3.03Å; K153-M156 PolarHBondContact O-N 3.09Å; K153-S157 PolarHBondContact O-N 3.41Å; K153-S157 VanDerWaalsContact O-N 3.12Å; K153-D166 VanDerWaalsContact CE-CG 3.48Å; K153-D166 WeakPolarHBondContact CE-OD1 3.43Å; K153-D166 IonicContact NZ-OD1 2.63Å; K153-D166 PolarHBondContact NZ-OD1 3.25Å; K153-D166 IonicContact NZ-OD2 3.05Å; K153-D166 PolarHBondContact NZ-OD2 2.99Å; K153-A169 HydrophobicContact CB-CB 4.47Å
154T90.4Very high87Confident21 Ų2138.3 Ų38.313%0.12921%0.214CC..Hα-helixtrans-60.8-47.7178.8-57.70000111.3N150 A151 A152 M156 S157 G502 V503 F504 E505N150-T154 PolarHBondContact O-N 2.8Å; N150-T154 PolarHBondContact O-OG1 2.91Å; A151-T154 PolarHBondContact O-N 2.62Å; A152-T154 VanDerWaalsContact C-N 3.29Å; A152-T154 PolarHBondContact O-N 3.12Å; T154-M156 VanDerWaalsContact C-N 3.28Å; T154-M156 PolarHBondContact O-N 3.35Å; T154-S157 WeakPolarHBondContact O-CB 3.46Å; T154-S157 PolarHBondContact O-N 3.07Å; T154-S157 PolarHBondContact O-OG 3.49Å; T154-G502 PolarHBondContact OG1-O 3.44Å; T154-V503 HydrophobicContact CG2-CG1 3.83Å; T154-V503 WeakPolarHBondContact OG1-CA 3.21Å; T154-F504 PolarHBondContact OG1-N 3.2Å; T154-E505 HydrophobicContact CG2-CG 4.36Å
155S89.1Confident87.3Confident7 Ų736.4 Ų36.45%0.04919%0.194CC..Hα-helixtrans-64.7-30.8179.2-169.30000113.3D88 A151 A152 K159 V398D88-S155 PolarHBondContact OD2-OG 3.19Å; A151-S155 PolarHBondContact O-N 3.41Å; A152-S155 PolarHBondContact O-N 3.31Å; S155-K159 VanDerWaalsContact O-CE 3.23Å; S155-K159 WeakPolarHBondContact O-CE 3.26Å; S155-V398 WeakPolarHBondContact OG-CG2 3.48Å
156M89.2Confident87.6Confident0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-83.6-11.3179.1-67.9-173.1-71.800114A152 K153 T154 S158 K159 I161 G162 G165 F168 A169 L392 A395A152-M156 HydrophobicContact CB-CE 4.13Å; A152-M156 VanDerWaalsContact O-CE 3.28Å; A152-M156 WeakPolarHBondContact O-CE 3.06Å; A152-M156 WeakPolarHBondContact O-CG 3.37Å; A152-M156 PolarHBondContact O-N 3.12Å; A152-M156 VanDerWaalsContact O-N 3.14Å; K153-M156 PolarHBondContact O-N 3.09Å; T154-M156 VanDerWaalsContact C-N 3.28Å; T154-M156 PolarHBondContact O-N 3.35Å; M156-S158 VanDerWaalsContact C-N 3.29Å; M156-S158 PolarHBondContact O-N 3.3Å; M156-K159 PolarHBondContact O-N 2.92Å; M156-K159 VanDerWaalsContact O-N 3.11Å; M156-I161 HydrophobicContact CB-CD1 4.22Å; M156-I161 HydrophobicContact CB-CG1 4.03Å; M156-I161 HydrophobicContact CG-CD1 3.65Å; M156-I161 HydrophobicContact CG-CG1 4.04Å; M156-I161 HydrophobicContact SD-CD1 3.41Å; M156-I161 WeakPolarHBondContact SD-CD1 3.21Å; M156-I161 HydrophobicContact SD-CG1 4.06Å; M156-G162 VanDerWaalsContact O-CA 3.29Å; M156-G162 WeakPolarHBondContact O-CA 3.42Å; M156-G162 PolarHBondContact O-N 2.79Å; M156-G165 WeakPolarHBondContact CE-O 3.47Å; M156-F168 HydrophobicContact CE-CB 4.14Å; M156-F168 HydrophobicContact SD-CB 3.67Å; M156-A169 VanDerWaalsContact CE-CA 3.49Å; M156-A169 HydrophobicContact CE-CB 3.62Å; M156-L392 HydrophobicContact SD-CD2 4.5Å; M156-A395 HydrophobicContact CG-CB 3.77Å; M156-A395 HydrophobicContact SD-CB 4.14Å
157S85.6Confident87.9Confident46 Ų4634.6 Ų34.632%0.32219%0.188SC..THydrogen-bonded Turntrans-64.7-30.1-170.267.40000113.9P38 K153 T154 K159P38-S157 WeakPolarHBondContact CA-O 3.48Å; K153-S157 PolarHBondContact O-N 3.41Å; K153-S157 VanDerWaalsContact O-N 3.12Å; T154-S157 WeakPolarHBondContact O-CB 3.46Å; T154-S157 PolarHBondContact O-N 3.07Å; T154-S157 PolarHBondContact O-OG 3.49Å; S157-K159 VanDerWaalsContact C-N 3.31Å
158S82.8Confident88.3Confident27 Ų2734.5 Ų34.519%0.18919%0.188CC..THydrogen-bonded Turntrans-86.15.5177.365.80000114.5G37 N56 M156G37-S158 VanDerWaalsContact C-CB 3.46Å; G37-S158 WeakPolarHBondContact O-CA 3.4Å; G37-S158 WeakPolarHBondContact O-CB 3.49Å; N56-S158 VanDerWaalsContact CG-O 3.27Å; N56-S158 PolarHBondContact ND2-O 3.43Å; M156-S158 VanDerWaalsContact C-N 3.29Å; M156-S158 PolarHBondContact O-N 3.3Å
159K83.9Confident88.5Confident21 Ų2133.6 Ų33.69%0.09118%0.183CC..SBendtrans-121.9167.4-166.6-51.2-172.7-172.31730111.6S155 M156 S157 I161 G162 S391 D394S155-K159 VanDerWaalsContact O-CE 3.23Å; S155-K159 WeakPolarHBondContact O-CE 3.26Å; M156-K159 PolarHBondContact O-N 2.92Å; M156-K159 VanDerWaalsContact O-N 3.11Å; S157-K159 VanDerWaalsContact C-N 3.31Å; K159-I161 HydrophobicContact CB-CG1 4.34Å; K159-I161 PolarHBondContact O-N 3.28Å; K159-G162 PolarHBondContact O-N 3.06Å; K159-S391 WeakPolarHBondContact CB-OG 3.18Å; K159-S391 VanDerWaalsContact CD-CB 3.45Å; K159-S391 VanDerWaalsContact CD-OG 3.31Å; K159-S391 WeakPolarHBondContact CD-OG 3.22Å; K159-D394 VanDerWaalsContact NZ-CG 3.28Å; K159-D394 IonicContact NZ-OD2 2.74Å; K159-D394 PolarHBondContact NZ-OD2 2.99Å
160I83.8Confident88.6Confident40 Ų4035.7 Ų35.721%0.20519%0.194CC..THydrogen-bonded Turntrans-55.1-29.1-179.4-163.1169.3000113.5G162 M384 E387 M388I160-G162 VanDerWaalsContact C-N 3.31Å; I160-G162 PolarHBondContact O-N 3.11Å; I160-M384 HydrophobicContact CD1-CB 4.15Å; I160-M384 HydrophobicContact CD1-CE 4.5Å; I160-M384 HydrophobicContact CD1-CG 3.79Å; I160-M384 HydrophobicContact CD1-SD 4.26Å; I160-E387 HydrophobicContact CB-CG 4.38Å; I160-E387 HydrophobicContact CG2-CB 4.26Å; I160-E387 HydrophobicContact CG2-CG 3.88Å; I160-M388 HydrophobicContact CG2-CG 3.78Å
161I85.3Confident88.7Confident0 Ų034 Ų340%019%0.185CC..THydrogen-bonded Turntrans-82.4-3.1178.759.4178.7000114.1M156 K159 I163 N164 G165 F168 M388 S391 L392M156-I161 HydrophobicContact CB-CD1 4.22Å; M156-I161 HydrophobicContact CB-CG1 4.03Å; M156-I161 HydrophobicContact CG-CD1 3.65Å; M156-I161 HydrophobicContact CG-CG1 4.04Å; M156-I161 HydrophobicContact SD-CD1 3.41Å; M156-I161 WeakPolarHBondContact SD-CD1 3.21Å; M156-I161 HydrophobicContact SD-CG1 4.06Å; K159-I161 HydrophobicContact CB-CG1 4.34Å; K159-I161 PolarHBondContact O-N 3.28Å; I161-I163 VanDerWaalsContact C-N 3.31Å; I161-I163 PolarHBondContact O-N 3.01Å; I161-N164 CarbonylContact O-C 3.6Å; I161-N164 VanDerWaalsContact O-C 3.31Å; I161-N164 PolarHBondContact O-N 2.98Å; I161-N164 VanDerWaalsContact O-N 3.13Å; I161-G165 PolarHBondContact O-N 3.41Å; I161-G165 VanDerWaalsContact O-N 3.09Å; I161-F168 HydrophobicContact CB-CD2 3.86Å; I161-F168 HydrophobicContact CB-CE2 4.11Å; I161-F168 HydrophobicContact CG2-CD2 4.16Å; I161-F168 HydrophobicContact CG2-CE2 3.98Å; I161-F168 HydrophobicContact CG2-CZ 4.41Å; I161-M388 HydrophobicContact CG2-CB 4.1Å; I161-M388 HydrophobicContact CG2-CE 3.99Å; I161-M388 HydrophobicContact CG2-CG 3.57Å; I161-M388 HydrophobicContact CG2-SD 4.45Å; I161-S391 VanDerWaalsContact CD1-CB 3.44Å; I161-L392 HydrophobicContact CD1-CD2 4.12Å; I161-L392 HydrophobicContact CD1-CG 3.97Å
162G82.1Confident88.9Confident27 Ų2734 Ų3428%0.27819%0.185SC..G310 helixtrans-59.6-36-176.100000113.9M156 K159 I160 N164 G165M156-G162 VanDerWaalsContact O-CA 3.29Å; M156-G162 WeakPolarHBondContact O-CA 3.42Å; M156-G162 PolarHBondContact O-N 2.79Å; K159-G162 PolarHBondContact O-N 3.06Å; I160-G162 VanDerWaalsContact C-N 3.31Å; I160-G162 PolarHBondContact O-N 3.11Å; G162-N164 VanDerWaalsContact C-N 3.28Å; G162-N164 PolarHBondContact O-N 3.17Å; G162-G165 PolarHBondContact O-N 2.99Å; G162-G165 VanDerWaalsContact O-N 3.08Å
163I85.9Confident88.9Confident156 Ų15634 Ų3480%0.819%0.185SC*.G310 helixtrans-60.8-39.8177.8-57.3171.7000110.9I161I161-I163 VanDerWaalsContact C-N 3.31Å; I161-I163 PolarHBondContact O-N 3.01Å
164N88.1Confident88.8Confident47 Ų4733.3 Ų33.325%0.25119%0.185SC..G310 helixtrans-101.426178.5-65.1-46.9000111.6I161 G162 D166 F167 F168 Q205 T206I161-N164 CarbonylContact O-C 3.6Å; I161-N164 VanDerWaalsContact O-C 3.31Å; I161-N164 PolarHBondContact O-N 2.98Å; I161-N164 VanDerWaalsContact O-N 3.13Å; G162-N164 VanDerWaalsContact C-N 3.28Å; G162-N164 PolarHBondContact O-N 3.17Å; N164-D166 PolarHBondContact O-N 3.12Å; N164-F167 PolarHBondContact O-N 2.98Å; N164-F167 VanDerWaalsContact O-N 3.09Å; N164-F168 HydrophobicContact CB-CD2 4.01Å; N164-F168 HydrophobicContact CB-CE2 3.9Å; N164-F168 WeakPolarHBondContact O-CD2 3.19Å; N164-F168 PolarHBondContact O-N 3.27Å; N164-Q205 PolarHBondContact ND2-OE1 2.94Å; N164-T206 HydrophobicContact CB-CG2 4.47Å
165G84.9Confident88.9Confident2 Ų232.3 Ų32.32%0.02118%0.179CC..Hα-helixtrans-59.4-31.4-170.900000113.9M156 I161 G162 A169M156-G165 WeakPolarHBondContact CE-O 3.47Å; I161-G165 PolarHBondContact O-N 3.41Å; I161-G165 VanDerWaalsContact O-N 3.09Å; G162-G165 PolarHBondContact O-N 2.99Å; G162-G165 VanDerWaalsContact O-N 3.08Å; G165-A169 WeakPolarHBondContact O-CB 3.35Å; G165-A169 PolarHBondContact O-N 2.93Å
166D90.6Very high88.9Confident92 Ų9232 Ų3249%0.49218%0.177SC..Hα-helixtrans-62.3-43.4175.5-80.3-57.4000113.3K153 N164 N170K153-D166 VanDerWaalsContact CE-CG 3.48Å; K153-D166 WeakPolarHBondContact CE-OD1 3.43Å; K153-D166 IonicContact NZ-OD1 2.63Å; K153-D166 PolarHBondContact NZ-OD1 3.25Å; K153-D166 IonicContact NZ-OD2 3.05Å; K153-D166 PolarHBondContact NZ-OD2 2.99Å; N164-D166 PolarHBondContact O-N 3.12Å; D166-N170 PolarHBondContact O-N 2.87Å; D166-N170 PolarHBondContact O-ND2 2.68Å
167F93.1Very high88.9Confident80 Ų8035.1 Ų35.135%0.35119%0.193SC..Hα-helixtrans-67.3-49.6-179.7176.5-103000110.8N164 A169 M171 T206 S208N164-F167 PolarHBondContact O-N 2.98Å; N164-F167 VanDerWaalsContact O-N 3.09Å; F167-A169 VanDerWaalsContact C-N 3.34Å; F167-A169 PolarHBondContact O-N 3.27Å; F167-M171 HydrophobicContact CD1-CE 4.38Å; F167-M171 HydrophobicContact CE1-CE 3.5Å; F167-M171 VanDerWaalsContact CE1-CE 3.5Å; F167-M171 HydrophobicContact CZ-CE 3.64Å; F167-M171 PolarHBondContact O-N 2.8Å; F167-T206 VanDerWaalsContact CZ-O 3.25Å; F167-T206 WeakPolarHBondContact CZ-O 3.43Å; F167-S208 VanDerWaalsContact CZ-O 3.28Å; F167-S208 WeakPolarHBondContact CZ-O 3.37Å
168F93.7Very high88.9Confident0 Ų034.2 Ų34.20%019%0.189CC..Hα-helixtrans-68.7-31.7179.5-70.9-68000112.6M156 I161 N164 N170 M171 V172 Q205 L377 M388 L392M156-F168 HydrophobicContact CE-CB 4.14Å; M156-F168 HydrophobicContact SD-CB 3.67Å; I161-F168 HydrophobicContact CB-CD2 3.86Å; I161-F168 HydrophobicContact CB-CE2 4.11Å; I161-F168 HydrophobicContact CG2-CD2 4.16Å; I161-F168 HydrophobicContact CG2-CE2 3.98Å; I161-F168 HydrophobicContact CG2-CZ 4.41Å; N164-F168 HydrophobicContact CB-CD2 4.01Å; N164-F168 HydrophobicContact CB-CE2 3.9Å; N164-F168 WeakPolarHBondContact O-CD2 3.19Å; N164-F168 PolarHBondContact O-N 3.27Å; F168-N170 PolarHBondContact O-N 3.26Å; F168-M171 HydrophobicContact CD1-SD 4.31Å; F168-M171 WeakPolarHBondContact O-CB 3.35Å; F168-M171 PolarHBondContact O-N 3.07Å; F168-V172 WeakPolarHBondContact O-CB 3.31Å; F168-V172 WeakPolarHBondContact O-CG2 3.38Å; F168-V172 PolarHBondContact O-N 3.07Å; F168-Q205 HydrophobicContact CE2-CB 4.43Å; F168-Q205 HydrophobicContact CZ-CB 4.31Å; F168-Q205 WeakPolarHBondContact CZ-O 3.26Å; F168-L377 HydrophobicContact CE1-CD2 4.28Å; F168-M388 HydrophobicContact CE1-CE 4.06Å; F168-M388 HydrophobicContact CE2-CE 4.21Å; F168-M388 HydrophobicContact CZ-CE 3.46Å; F168-M388 VanDerWaalsContact CZ-CE 3.46Å; F168-L392 HydrophobicContact CB-CD2 4.22Å; F168-L392 HydrophobicContact CD1-CD1 4.3Å; F168-L392 HydrophobicContact CD1-CD2 4.03Å; F168-L392 HydrophobicContact CE1-CD1 4.47Å; F168-L392 HydrophobicContact CG-CD2 4.43Å
169A93.3Very high88.9Confident0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-64.6-43.8179.900000111.1I149 A152 K153 M156 G165 F167 V172 V173I149-A169 HydrophobicContact CG2-CB 3.81Å; A152-A169 HydrophobicContact CB-CB 4.04Å; K153-A169 HydrophobicContact CB-CB 4.47Å; M156-A169 VanDerWaalsContact CE-CA 3.49Å; M156-A169 HydrophobicContact CE-CB 3.62Å; G165-A169 WeakPolarHBondContact O-CB 3.35Å; G165-A169 PolarHBondContact O-N 2.93Å; F167-A169 VanDerWaalsContact C-N 3.34Å; F167-A169 PolarHBondContact O-N 3.27Å; A169-V172 PolarHBondContact O-N 2.93Å; A169-V173 VanDerWaalsContact O-CG2 3.29Å; A169-V173 WeakPolarHBondContact O-CG2 3.28Å; A169-V173 PolarHBondContact O-N 2.89Å
170N93.2Very high88.9Confident63 Ų6338 Ų3834%0.33720%0.202SC..Hα-helixtrans-61.2-46.2174.4-74.1-58.5000111.4I149 D166 F168 V172 V173 D174I149-N170 VanDerWaalsContact CD1-OD1 3.3Å; I149-N170 WeakPolarHBondContact CD1-OD1 3.25Å; D166-N170 PolarHBondContact O-N 2.87Å; D166-N170 PolarHBondContact O-ND2 2.68Å; F168-N170 PolarHBondContact O-N 3.26Å; N170-V172 PolarHBondContact O-N 3.06Å; N170-V173 PolarHBondContact O-N 3.12Å; N170-D174 PolarHBondContact O-N 2.91Å
171M93.5Very high88.8Confident11 Ų1138.8 Ų38.85%0.05420%0.203CC..Hα-helixtrans-59.1-45.1178.3-179.2177.5-6300112.9F167 F168 D174 A175 S208 L210 I375F167-M171 HydrophobicContact CD1-CE 4.38Å; F167-M171 HydrophobicContact CE1-CE 3.5Å; F167-M171 VanDerWaalsContact CE1-CE 3.5Å; F167-M171 HydrophobicContact CZ-CE 3.64Å; F167-M171 PolarHBondContact O-N 2.8Å; F168-M171 HydrophobicContact CD1-SD 4.31Å; F168-M171 WeakPolarHBondContact O-CB 3.35Å; F168-M171 PolarHBondContact O-N 3.07Å; M171-D174 PolarHBondContact O-N 3.17Å; M171-A175 VanDerWaalsContact O-CB 3.28Å; M171-A175 WeakPolarHBondContact O-CB 3.29Å; M171-A175 PolarHBondContact O-N 3.13Å; M171-S208 WeakPolarHBondContact CE-O 3.26Å; M171-L210 HydrophobicContact CE-CB 4.39Å; M171-L210 HydrophobicContact CG-CB 4.06Å; M171-L210 HydrophobicContact CG-CD1 4.19Å; M171-I375 HydrophobicContact CG-CD1 4.08Å; M171-I375 HydrophobicContact CG-CG1 4.14Å; M171-I375 HydrophobicContact SD-CB 4.41Å; M171-I375 HydrophobicContact SD-CD1 4.33Å; M171-I375 HydrophobicContact SD-CG1 4.15Å; M171-I375 HydrophobicContact SD-CG2 3.47Å; M171-I375 WeakPolarHBondContact SD-CG2 3.39Å
172V93.6Very high88.5Confident0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-62.6-46.81781680000110.3A152 F168 A169 N170 A175 V176 L392 A395 L396 V399A152-V172 HydrophobicContact CB-CG1 4.39Å; F168-V172 WeakPolarHBondContact O-CB 3.31Å; F168-V172 WeakPolarHBondContact O-CG2 3.38Å; F168-V172 PolarHBondContact O-N 3.07Å; A169-V172 PolarHBondContact O-N 2.93Å; N170-V172 PolarHBondContact O-N 3.06Å; V172-A175 PolarHBondContact O-N 3.17Å; V172-V176 VanDerWaalsContact O-CG2 3.32Å; V172-V176 WeakPolarHBondContact O-CG2 3.32Å; V172-V176 PolarHBondContact O-N 3.04Å; V172-L392 HydrophobicContact CG2-CD2 3.41Å; V172-L392 VanDerWaalsContact CG2-CD2 3.41Å; V172-A395 HydrophobicContact CG1-CB 4.24Å; V172-A395 HydrophobicContact CG2-CB 4.24Å; V172-L396 HydrophobicContact CB-CD2 4.41Å; V172-L396 HydrophobicContact CG1-CD2 3.85Å; V172-L396 HydrophobicContact CG1-CG 4.2Å; V172-V399 HydrophobicContact CG1-CB 4.34Å; V172-V399 HydrophobicContact CG1-CG2 3.81Å
173V92.5Very high88.3Confident0 Ų043.4 Ų43.40%022%0.224CC..Hα-helixtrans-63.3-44.9180173.10000111.2R145 L148 I149 A169 N170 V176 L177 V399R145-V173 HydrophobicContact CG-CG1 4.34Å; L148-V173 HydrophobicContact CB-CG1 4.18Å; L148-V173 HydrophobicContact CB-CG2 3.78Å; I149-V173 HydrophobicContact CG1-CG2 4.08Å; A169-V173 VanDerWaalsContact O-CG2 3.29Å; A169-V173 WeakPolarHBondContact O-CG2 3.28Å; A169-V173 PolarHBondContact O-N 2.89Å; N170-V173 PolarHBondContact O-N 3.12Å; V173-V176 PolarHBondContact O-N 3.08Å; V173-L177 HydrophobicContact CG1-CD1 3.79Å; V173-L177 HydrophobicContact CG1-CG 4.35Å; V173-L177 WeakPolarHBondContact O-CB 3.38Å; V173-L177 VanDerWaalsContact O-CG 3.27Å; V173-L177 WeakPolarHBondContact O-CG 3.41Å; V173-L177 PolarHBondContact O-N 3.28Å; V173-V399 HydrophobicContact CG2-CG1 4.43Å; V173-V399 HydrophobicContact CG2-CG2 4.38Å
174D91.1Very high87.7Confident60 Ų6042.6 Ų42.632%0.32123%0.227SC..Hα-helixtrans-64.1-41.3177-75.6-36.1000112.4R145 N170 M171 V176 L177 A178 L210R145-D174 IonicContact CZ-OD1 2.96Å; R145-D174 IonicContact NH1-OD1 3.16Å; R145-D174 PolarHBondContact NH1-OD1 2.89Å; R145-D174 IonicContact NH2-OD1 2.63Å; R145-D174 PolarHBondContact NH2-OD1 2.63Å; R145-D174 IonicContact NH2-OD2 2.67Å; R145-D174 PolarHBondContact NH2-OD2 3.38Å; N170-D174 PolarHBondContact O-N 2.91Å; M171-D174 PolarHBondContact O-N 3.17Å; D174-V176 PolarHBondContact O-N 3.09Å; D174-L177 PolarHBondContact O-N 3.13Å; D174-A178 VanDerWaalsContact O-CB 3.28Å; D174-A178 WeakPolarHBondContact O-CB 3.37Å; D174-A178 PolarHBondContact O-N 2.94Å; D174-L210 HydrophobicContact CB-CD2 3.6Å
175A91.5Very high87.3Confident0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-61.2-44.3176.400000111.9M171 V172 A178 I179 V195 L210 A373 I375 L396M171-A175 VanDerWaalsContact O-CB 3.28Å; M171-A175 WeakPolarHBondContact O-CB 3.29Å; M171-A175 PolarHBondContact O-N 3.13Å; V172-A175 PolarHBondContact O-N 3.17Å; A175-A178 PolarHBondContact O-N 3.41Å; A175-I179 WeakPolarHBondContact O-CG1 3.46Å; A175-I179 PolarHBondContact O-N 2.76Å; A175-V195 HydrophobicContact CB-CG1 4.37Å; A175-V195 HydrophobicContact CB-CG2 4.36Å; A175-L210 HydrophobicContact CB-CD1 3.99Å; A175-A373 HydrophobicContact CB-CB 4.01Å; A175-I375 HydrophobicContact CB-CD1 4.01Å; A175-I375 HydrophobicContact CB-CG1 4.44Å; A175-L396 HydrophobicContact CB-CD2 4.32Å
176V90.2Very high87Confident0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-69.2-41.5179.7178.10000111.5V172 V173 D174 A178 I179 Y190 L396 V399 L403V172-V176 VanDerWaalsContact O-CG2 3.32Å; V172-V176 WeakPolarHBondContact O-CG2 3.32Å; V172-V176 PolarHBondContact O-N 3.04Å; V173-V176 PolarHBondContact O-N 3.08Å; D174-V176 PolarHBondContact O-N 3.09Å; V176-A178 VanDerWaalsContact C-N 3.29Å; V176-A178 PolarHBondContact O-N 3.1Å; V176-I179 WeakPolarHBondContact O-CG1 3.23Å; V176-I179 PolarHBondContact O-N 3.36Å; V176-Y190 HydrophobicContact CG1-CD1 3.76Å; V176-Y190 HydrophobicContact CG1-CG 4Å; V176-Y190 WeakPolarHBondContact O-CD1 3.08Å; V176-L396 HydrophobicContact CG2-CD2 3.47Å; V176-L396 VanDerWaalsContact CG2-CD2 3.47Å; V176-V399 HydrophobicContact CB-CG1 4.03Å; V176-V399 HydrophobicContact CG1-CG1 4.07Å; V176-V399 HydrophobicContact CG2-CB 4.35Å; V176-V399 HydrophobicContact CG2-CG1 4.04Å; V176-L403 HydrophobicContact CG1-CD1 3.52Å
177L87.9Confident86.5Confident65 Ų6554.2 Ų54.234%0.3428%0.282SS..Hα-helixtrans-65.9-34.5178-70.4174.2000111.9V173 D174 I179 K180 L403V173-L177 HydrophobicContact CG1-CD1 3.79Å; V173-L177 HydrophobicContact CG1-CG 4.35Å; V173-L177 WeakPolarHBondContact O-CB 3.38Å; V173-L177 VanDerWaalsContact O-CG 3.27Å; V173-L177 WeakPolarHBondContact O-CG 3.41Å; V173-L177 PolarHBondContact O-N 3.28Å; D174-L177 PolarHBondContact O-N 3.13Å; L177-I179 PolarHBondContact O-N 3.3Å; L177-K180 WeakPolarHBondContact O-CB 3.24Å; L177-K180 PolarHBondContact O-N 2.99Å; L177-L403 HydrophobicContact CD2-CD1 4.44Å
178A85.4Confident85.9Confident28 Ų2853.2 Ų53.223%0.23128%0.284CS..Hα-helixtrans-64.1-36.4176.500000113D174 A175 V176 K180 T371 A373D174-A178 VanDerWaalsContact O-CB 3.28Å; D174-A178 WeakPolarHBondContact O-CB 3.37Å; D174-A178 PolarHBondContact O-N 2.94Å; A175-A178 PolarHBondContact O-N 3.41Å; V176-A178 VanDerWaalsContact C-N 3.29Å; V176-A178 PolarHBondContact O-N 3.1Å; A178-K180 VanDerWaalsContact C-N 3.29Å; A178-K180 PolarHBondContact O-N 3.15Å; A178-T371 HydrophobicContact CB-CG2 3.92Å; A178-T371 CarbonylContact O-C 3.58Å; A178-T371 VanDerWaalsContact O-CB 3.31Å; A178-T371 WeakPolarHBondContact O-CB 3.4Å; A178-A373 HydrophobicContact CB-CB 3.97Å
179I84.3Confident85.4Confident9 Ų958.5 Ų58.55%0.04630%0.304CS..THydrogen-bonded Turntrans-86.99.4-176.359.9161.1000114.4A175 V176 L177 Y181 P191 V195A175-I179 WeakPolarHBondContact O-CG1 3.46Å; A175-I179 PolarHBondContact O-N 2.76Å; V176-I179 WeakPolarHBondContact O-CG1 3.23Å; V176-I179 PolarHBondContact O-N 3.36Å; L177-I179 PolarHBondContact O-N 3.3Å; I179-Y181 PolarHBondContact O-N 3.43Å; I179-Y181 VanDerWaalsContact O-N 3.15Å; I179-P191 VanDerWaalsContact CD1-C 3.45Å; I179-P191 HydrophobicContact CD1-CG 4.47Å; I179-P191 WeakPolarHBondContact CD1-O 3.5Å; I179-P191 WeakPolarHBondContact O-CD 3.1Å; I179-V195 HydrophobicContact CD1-CG2 3.86Å; I179-V195 HydrophobicContact CG1-CG2 4.46Å; I179-V195 HydrophobicContact CG2-CG2 3.98Å
180K83.8Confident85.1Confident118 Ų11859.2 Ų59.251%0.51331%0.307SS..  trans-56.2119.8-178.2-175.4178.9178.6-177.80110.6L177 A178 P188 Y190L177-K180 WeakPolarHBondContact O-CB 3.24Å; L177-K180 PolarHBondContact O-N 2.99Å; A178-K180 VanDerWaalsContact C-N 3.29Å; A178-K180 PolarHBondContact O-N 3.15Å; K180-P188 HydrophobicContact CG-CB 4.49Å; K180-Y190 HydrophobicContact CB-CD1 4.11Å; K180-Y190 HydrophobicContact CB-CE1 3.63Å; K180-Y190 HydrophobicContact CD-CE1 4.04Å; K180-Y190 HydrophobicContact CG-CD1 4.36Å; K180-Y190 HydrophobicContact CG-CE1 3.61Å
181Y80.6Confident84.6Confident56 Ų5658 Ų5822%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-121.9141.1170.198.7-88.4000110.6I179 D183 R189 P191I179-Y181 PolarHBondContact O-N 3.43Å; I179-Y181 VanDerWaalsContact O-N 3.15Å; Y181-D183 HydrophobicContact CE2-CB 4.12Å; Y181-D183 PolarHBondContact OH-OD1 3.48Å; Y181-R189 HydrophobicContact CD1-CB 3.84Å; Y181-R189 WeakPolarHBondContact CD1-O 3.43Å; Y181-R189 HydrophobicContact CE1-CB 3.31Å; Y181-R189 HydrophobicContact CE1-CG 4.36Å; Y181-R189 PolarHBondContact N-O 3.3Å; Y181-R189 PolarHBondContact O-N 3.37Å; Y181-R189 VanDerWaalsContact O-O 3.13Å; Y181-R189 VanDerWaalsContact OH-CD 3.26Å; Y181-R189 WeakPolarHBondContact OH-CD 3.33Å; Y181-P191 HydrophobicContact CD1-CG 3.92Å; Y181-P191 HydrophobicContact CE1-CG 4.34Å
182T79.8Confident84.1Confident92 Ų9257.9 Ų57.956%0.56430%0.302SS*.EExtended strand (participates in β ladder)trans-88.4123.9174.1-51.10000108.7
183D77.3Confident83.4Confident32 Ų3263 Ų6317%0.17133%0.329CS..  trans-68.2166175.5-151.919.5000111.1Y181 R185 G186 Q187 R189Y181-D183 HydrophobicContact CE2-CB 4.12Å; Y181-D183 PolarHBondContact OH-OD1 3.48Å; D183-R185 PolarHBondContact O-N 3.49Å; D183-G186 PolarHBondContact O-N 3.49Å; D183-Q187 PolarHBondContact N-O 2.94Å; D183-R189 IonicContact OD2-CZ 3.14Å; D183-R189 VanDerWaalsContact OD2-CZ 3.3Å; D183-R189 IonicContact OD2-NE 2.85Å; D183-R189 IonicContact OD2-NH1 3.06Å; D183-R189 PolarHBondContact OD2-NH1 3.39Å; D183-R189 IonicContact OD2-NH2 3.7Å
184T74.5Confident82.9Confident140 Ų14064.8 Ų64.886%0.85934%0.342SS*.THydrogen-bonded Turntrans-55.8-20.9176.239.60000113.4
185R78.8Confident82.8Confident213 Ų21362.3 Ų62.380%0.80433%0.329SS*.THydrogen-bonded Turntrans-89.97.3176.5-60.5-177.4179.9-174.4-0.6114.4D183 Q187D183-R185 PolarHBondContact O-N 3.49Å; R185-Q187 PolarHBondContact O-N 3.32Å
186G78.1Confident82.8Confident55 Ų5562.9 Ų62.957%0.56733%0.332SS*.SBendtrans77.22.3-179.600000115D183D183-G186 PolarHBondContact O-N 3.49Å
187Q80.4Confident82.9Confident116 Ų11664 Ų6454%0.54234%0.337SS..  trans-85.3133.3178.6-68.4-178.5-8.600110.8D183 R185 R189D183-Q187 PolarHBondContact N-O 2.94Å; R185-Q187 PolarHBondContact O-N 3.32Å; Q187-R189 PolarHBondContact O-N 3.12Å
188P81.4Confident83.1Confident60 Ų6061.6 Ų61.639%0.3933%0.325SS..EExtended strand (participates in β ladder)trans-70128.1174.429.7-33.3000109.8K180 Y190K180-P188 HydrophobicContact CG-CB 4.49Å; P188-Y190 HydrophobicContact CB-CE2 4.22Å
189R82.7Confident83.4Confident111 Ų11164 Ų6442%0.41933%0.33SS..EExtended strand (participates in β ladder)trans-122.7146.2173.6-83.2-174.1169.8165.94.4110.4Y181 D183 Q187 P191Y181-R189 HydrophobicContact CD1-CB 3.84Å; Y181-R189 WeakPolarHBondContact CD1-O 3.43Å; Y181-R189 HydrophobicContact CE1-CB 3.31Å; Y181-R189 HydrophobicContact CE1-CG 4.36Å; Y181-R189 PolarHBondContact N-O 3.3Å; Y181-R189 PolarHBondContact O-N 3.37Å; Y181-R189 VanDerWaalsContact O-O 3.13Å; Y181-R189 VanDerWaalsContact OH-CD 3.26Å; Y181-R189 WeakPolarHBondContact OH-CD 3.33Å; D183-R189 IonicContact OD2-CZ 3.14Å; D183-R189 VanDerWaalsContact OD2-CZ 3.3Å; D183-R189 IonicContact OD2-NE 2.85Å; D183-R189 IonicContact OD2-NH1 3.06Å; D183-R189 PolarHBondContact OD2-NH1 3.39Å; D183-R189 IonicContact OD2-NH2 3.7Å; Q187-R189 PolarHBondContact O-N 3.12Å; R189-P191 WeakPolarHBondContact O-CD 3.37Å
190Y86.3Confident83.7Confident15 Ų1563.6 Ų63.66%0.05933%0.329CS..  trans-121.592.8-176.3-57.3-86.1000109.2V176 K180 P188 V192 K400 L403V176-Y190 HydrophobicContact CG1-CD1 3.76Å; V176-Y190 HydrophobicContact CG1-CG 4Å; V176-Y190 WeakPolarHBondContact O-CD1 3.08Å; K180-Y190 HydrophobicContact CB-CD1 4.11Å; K180-Y190 HydrophobicContact CB-CE1 3.63Å; K180-Y190 HydrophobicContact CD-CE1 4.04Å; K180-Y190 HydrophobicContact CG-CD1 4.36Å; K180-Y190 HydrophobicContact CG-CE1 3.61Å; P188-Y190 HydrophobicContact CB-CE2 4.22Å; Y190-V192 PolarHBondContact O-N 3Å; Y190-K400 WeakPolarHBondContact O-CD 3.22Å; Y190-L403 HydrophobicContact CD1-CD1 3.98Å; Y190-L403 HydrophobicContact CD2-CB 3.84Å; Y190-L403 HydrophobicContact CD2-CD1 4.09Å; Y190-L403 HydrophobicContact CE1-CD1 3.81Å; Y190-L403 HydrophobicContact CE2-CB 3.52Å; Y190-L403 HydrophobicContact CE2-CD1 3.96Å; Y190-L403 HydrophobicContact CE2-CG 4.26Å; Y190-L403 HydrophobicContact CG-CD1 4.11Å
191P83.4Confident84Confident38 Ų3862.1 Ų62.125%0.24732%0.323CS..  trans-77.589.7-179.129.4-31.5000109.2I179 Y181 R189 N193 S194I179-P191 VanDerWaalsContact CD1-C 3.45Å; I179-P191 HydrophobicContact CD1-CG 4.47Å; I179-P191 WeakPolarHBondContact CD1-O 3.5Å; I179-P191 WeakPolarHBondContact O-CD 3.1Å; Y181-P191 HydrophobicContact CD1-CG 3.92Å; Y181-P191 HydrophobicContact CE1-CG 4.34Å; R189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-N193 PolarHBondContact O-N 2.78Å; P191-N193 VanDerWaalsContact O-N 3.11Å; P191-S194 WeakPolarHBondContact O-CA 3.46Å; P191-S194 WeakPolarHBondContact O-CB 3.42Å; P191-S194 PolarHBondContact O-N 3.14Å
192V82.4Confident84.2Confident8 Ų860.6 Ų60.65%0.04833%0.325CS..G310 helixtrans-52.8-33.5177.1-66.80000112.5Y190 S194 V195 L396 K400Y190-V192 PolarHBondContact O-N 3Å; V192-S194 PolarHBondContact O-N 3.25Å; V192-V195 PolarHBondContact O-N 3.45Å; V192-V195 VanDerWaalsContact O-N 3.09Å; V192-L396 HydrophobicContact CB-CB 4.26Å; V192-L396 HydrophobicContact CG1-CB 3.98Å; V192-L396 WeakPolarHBondContact CG1-O 3.27Å; V192-K400 HydrophobicContact CG1-CB 3.69Å; V192-K400 HydrophobicContact CG1-CD 3.79Å; V192-K400 HydrophobicContact CG1-CG 4.26Å; V192-K400 HydrophobicContact CG2-CD 4.24Å
193N79.4Confident84.6Confident106 Ų10664.3 Ų64.357%0.56733%0.329SS*.G310 helixtrans-65.7-6.4173.9-64.9-10.7000113.9P191 R318P191-N193 PolarHBondContact O-N 2.78Å; P191-N193 VanDerWaalsContact O-N 3.11Å; N193-R318 PolarHBondContact O-NE 3.01Å; N193-R318 VanDerWaalsContact O-NE 3.17Å; N193-R318 PolarHBondContact O-NH2 3.14Å
194S82Confident85.2Confident38 Ų3866 Ų6627%0.26634%0.343SS..G310 helixtrans-88.1-18.9173.9-70.30000112.8P191 V192 N196P191-S194 WeakPolarHBondContact O-CA 3.46Å; P191-S194 WeakPolarHBondContact O-CB 3.42Å; P191-S194 PolarHBondContact O-N 3.14Å; V192-S194 PolarHBondContact O-N 3.25Å; S194-N196 PolarHBondContact O-N 3Å
195V88.4Confident85.9Confident8 Ų861 Ų615%0.04831%0.31CS..SBendtrans-72.2122171.3-175.80000107.6A175 I179 V192 I197 A373 I375 L396A175-V195 HydrophobicContact CB-CG1 4.37Å; A175-V195 HydrophobicContact CB-CG2 4.36Å; I179-V195 HydrophobicContact CD1-CG2 3.86Å; I179-V195 HydrophobicContact CG1-CG2 4.46Å; I179-V195 HydrophobicContact CG2-CG2 3.98Å; V192-V195 PolarHBondContact O-N 3.45Å; V192-V195 VanDerWaalsContact O-N 3.09Å; V195-I197 HydrophobicContact CG1-CG1 4.47Å; V195-A373 WeakPolarHBondContact CA-O 3.33Å; V195-I375 HydrophobicContact CG1-CD1 4.06Å; V195-I375 HydrophobicContact CG1-CG1 4.17Å; V195-L396 HydrophobicContact CB-CD1 4.41Å; V195-L396 HydrophobicContact CG1-CD1 4.43Å; V195-L396 HydrophobicContact CG2-CD2 4.47Å
196N90.8Very high86.4Confident12 Ų1254.1 Ų54.16%0.06429%0.292CS..EExtended strand (participates in β ladder)trans-88.1125.5173.6-159.328.3000109.4S194 Y214 A215 S374 I375S194-N196 PolarHBondContact O-N 3Å; N196-Y214 HydrophobicContact CB-CE1 4.17Å; N196-Y214 HydrophobicContact CB-CE2 3.85Å; N196-A215 PolarHBondContact ND2-O 3.35Å; N196-S374 CarbonylContact O-C 3.58Å; N196-S374 VanDerWaalsContact O-CA 3.23Å; N196-S374 WeakPolarHBondContact O-CA 3.43Å; N196-S374 WeakPolarHBondContact O-CB 3.38Å; N196-I375 PolarHBondContact O-N 2.86Å
197I92.6Very high87Confident23 Ų2355.5 Ų55.512%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-105.9120175.9-56.5173.6000106.7V195 I375 L377 E389 L392 L396V195-I197 HydrophobicContact CG1-CG1 4.47Å; I197-I375 WeakPolarHBondContact CA-O 2.9Å; I197-L377 HydrophobicContact CG2-CD1 3.46Å; I197-L377 VanDerWaalsContact CG2-CD1 3.46Å; I197-L377 HydrophobicContact CG2-CG 3.85Å; I197-E389 HydrophobicContact CB-CG 4.42Å; I197-E389 HydrophobicContact CG2-CB 4.37Å; I197-E389 HydrophobicContact CG2-CG 3.99Å; I197-L392 HydrophobicContact CD1-CB 4.45Å; I197-L396 HydrophobicContact CD1-CD1 4.07Å
198L91.8Very high87.6Confident15 Ų1550.2 Ų50.28%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-110.6138.9175.2-65.5-178.3000109.1A215 N217 L361 I375 I376 L377L198-A215 HydrophobicContact CD1-CB 3.54Å; L198-A215 HydrophobicContact CG-CB 4.45Å; L198-N217 HydrophobicContact CD1-CB 4.49Å; L198-N217 HydrophobicContact CD2-CB 3.95Å; L198-L361 HydrophobicContact CD1-CD1 4.01Å; L198-L361 HydrophobicContact CD1-CD2 4.2Å; L198-I375 PolarHBondContact N-O 3.43Å; L198-I376 HydrophobicContact CB-CG1 4.48Å; L198-I376 HydrophobicContact CB-CG2 4.31Å; L198-I376 CarbonylContact O-C 3.56Å; L198-I376 WeakPolarHBondContact O-CA 3.48Å; L198-L377 PolarHBondContact O-N 2.78Å
199K92.3Very high88.1Confident78 Ų7850.6 Ų50.634%0.33926%0.256SS..EExtended strand (participates in β ladder)trans-101.2132174.4-63.7176.8-68.1-153.60108.3C385 D386 E389K199-C385 HydrophobicContact CB-CB 4.07Å; K199-C385 HydrophobicContact CD-CB 3.91Å; K199-C385 HydrophobicContact CG-CB 3.99Å; K199-D386 VanDerWaalsContact CD-OD1 3.31Å; K199-D386 WeakPolarHBondContact CD-OD1 3.36Å; K199-D386 WeakPolarHBondContact CE-OD1 3.31Å; K199-D386 IonicContact NZ-OD1 3.88Å; K199-D386 PolarHBondContact NZ-OD1 3.34Å; K199-E389 HydrophobicContact CD-CB 4.33Å; K199-E389 VanDerWaalsContact CD-OE2 3.26Å; K199-E389 WeakPolarHBondContact CD-OE2 3.26Å; K199-E389 WeakPolarHBondContact CE-OE2 3.46Å; K199-E389 IonicContact NZ-OE2 3.85Å; K199-E389 PolarHBondContact NZ-OE2 3.33Å
200A90.4Very high88.6Confident2 Ų248.3 Ų48.32%0.01725%0.252CS..EExtended strand (participates in β ladder)trans-139.2113.9160.300000107.9L377 R378A200-L377 PolarHBondContact N-O 2.95Å; A200-L377 VanDerWaalsContact O-O 3.09Å; A200-R378 PolarHBondContact O-NH1 2.85Å
201H89.8Confident88.8Confident86 Ų8648.4 Ų48.440%0.39825%0.253SS..EExtended strand (participates in β ladder)trans-66.6155.7178.765.480.5000110.9C357 G379 D382H201-C357 PolarHBondContact O-SG 3.04Å; H201-C357 VanDerWaalsContact O-SG 3.41Å; H201-G379 CarbonylContact C-O 3.58Å; H201-G379 WeakPolarHBondContact CA-O 2.89Å; H201-D382 IonicContact CD2-OD1 2.82Å; H201-D382 PolarHBondContact CD2-OD1 3.15Å; H201-D382 IonicContact CD2-OD2 2.94Å; H201-D382 IonicContact CG-OD1 3.97Å
202G85.3Confident89Confident25 Ų2549.5 Ų49.526%0.25826%0.262SS..SBendtrans102150.3-17200000113.4R378 G379G202-R378 VanDerWaalsContact O-CD 3.3Å; G202-R378 WeakPolarHBondContact O-CD 3.36Å; G202-G379 PolarHBondContact N-O 3.26Å
203R88.4Confident89.2Confident170 Ų17049.1 Ų49.164%0.64226%0.26SS*.SBendtrans66.4-178.8-175.7-48.8-161.1-178.9-177.3-4.1114.9E207R203-E207 WeakPolarHBondContact CD-OE2 3.33Å; R203-E207 IonicContact CZ-OE2 2.67Å; R203-E207 IonicContact NE-OE2 3.16Å; R203-E207 IonicContact NH1-OE2 2.77Å; R203-E207 PolarHBondContact NH1-OE2 3.01Å
204S90.8Very high89.7Confident68 Ų6844.1 Ų44.148%0.47623%0.233SC..  trans-77.9150.5-178.1-60.90000112.3T206 E207 R378S204-T206 PolarHBondContact O-N 3.19Å; S204-E207 WeakPolarHBondContact O-CB 3.25Å; S204-E207 PolarHBondContact O-N 2.84Å; S204-R378 VanDerWaalsContact O-CB 3.29Å; S204-R378 WeakPolarHBondContact O-CB 3.48Å
205Q89Confident90.2Very high35 Ų3542.3 Ų42.316%0.16422%0.22CC..G310 helixtrans-58.5-33.9178.4-64.2176.4-1.800113.5N164 F168 E207 S208 R378 M388N164-Q205 PolarHBondContact ND2-OE1 2.94Å; F168-Q205 HydrophobicContact CE2-CB 4.43Å; F168-Q205 HydrophobicContact CZ-CB 4.31Å; F168-Q205 WeakPolarHBondContact CZ-O 3.26Å; Q205-E207 PolarHBondContact O-N 3.28Å; Q205-S208 WeakPolarHBondContact O-CB 3.24Å; Q205-S208 PolarHBondContact O-N 3.31Å; Q205-S208 VanDerWaalsContact O-N 3.11Å; Q205-S208 PolarHBondContact O-OG 3.46Å; Q205-R378 WeakPolarHBondContact CA-O 3.4Å; Q205-M388 HydrophobicContact CB-CE 4.13Å; Q205-M388 HydrophobicContact CG-CE 4.04Å; Q205-M388 HydrophobicContact CG-SD 3.91Å
206T89.6Confident90.4Very high68 Ų6842 Ų4242%0.41722%0.219SC..G310 helixtrans-69.3-13.6178.150.50000113.6N164 F167 S204N164-T206 HydrophobicContact CB-CG2 4.47Å; F167-T206 VanDerWaalsContact CZ-O 3.25Å; F167-T206 WeakPolarHBondContact CZ-O 3.43Å; S204-T206 PolarHBondContact O-N 3.19Å
207E90.6Very high90.3Very high83 Ų8345.7 Ų45.739%0.38824%0.239SC..G310 helixtrans-86.47.5171.6-65.3-168.7-153.100113R203 S204 Q205 M209 R378R203-E207 WeakPolarHBondContact CD-OE2 3.33Å; R203-E207 IonicContact CZ-OE2 2.67Å; R203-E207 IonicContact NE-OE2 3.16Å; R203-E207 IonicContact NH1-OE2 2.77Å; R203-E207 PolarHBondContact NH1-OE2 3.01Å; S204-E207 WeakPolarHBondContact O-CB 3.25Å; S204-E207 PolarHBondContact O-N 2.84Å; Q205-E207 PolarHBondContact O-N 3.28Å; E207-M209 WeakPolarHBondContact O-CG 3.14Å; E207-R378 HydrophobicContact CB-CG 4.29Å
208S92.2Very high90.1Very high5 Ų545.5 Ų45.54%0.03524%0.239CC..  trans-60.2140.5170-58.80000109.8F167 M171 Q205 I376 R378F167-S208 VanDerWaalsContact CZ-O 3.28Å; F167-S208 WeakPolarHBondContact CZ-O 3.37Å; M171-S208 WeakPolarHBondContact CE-O 3.26Å; Q205-S208 WeakPolarHBondContact O-CB 3.24Å; Q205-S208 PolarHBondContact O-N 3.31Å; Q205-S208 VanDerWaalsContact O-N 3.11Å; Q205-S208 PolarHBondContact O-OG 3.46Å; S208-I376 CarbonylContact C-O 3.31Å; S208-I376 VanDerWaalsContact CA-O 3.26Å; S208-I376 WeakPolarHBondContact CA-O 3.32Å; S208-I376 WeakPolarHBondContact CB-O 3.41Å; S208-R378 PolarHBondContact OG-N 2.87Å
209M91.3Very high89.9Confident68 Ų6848.4 Ų48.434%0.33526%0.257SS..EExtended strand (participates in β ladder)trans-117.9134.7-171.4-63.2-171.4-73.600111.4E207 I211 I356 I376E207-M209 WeakPolarHBondContact O-CG 3.14Å; M209-I211 HydrophobicContact CB-CD1 4.31Å; M209-I356 HydrophobicContact CE-CD1 3.7Å; M209-I356 HydrophobicContact CE-CG1 4.35Å; M209-I356 HydrophobicContact CE-CG2 4.5Å; M209-I376 PolarHBondContact N-O 2.92Å; M209-I376 PolarHBondContact O-N 3.24Å
210L92.9Very high89.7Confident64 Ų6445.2 Ų45.234%0.33524%0.244SC..EExtended strand (participates in β ladder)trans-89119.4164.6-176.363.6000108.7M171 D174 A175 A373 I375M171-L210 HydrophobicContact CE-CB 4.39Å; M171-L210 HydrophobicContact CG-CB 4.06Å; M171-L210 HydrophobicContact CG-CD1 4.19Å; D174-L210 HydrophobicContact CB-CD2 3.6Å; A175-L210 HydrophobicContact CB-CD1 3.99Å; L210-A373 HydrophobicContact CD1-CB 4.16Å; L210-I375 HydrophobicContact CD1-CG1 3.81Å
211I91.2Very high89.4Confident16 Ų1645.6 Ų45.68%0.08225%0.248CC..EExtended strand (participates in β ladder)trans-99.5120.1175.3-56.7-57.8000108.7M209 G213 L363 K365 S374 I376M209-I211 HydrophobicContact CB-CD1 4.31Å; I211-G213 VanDerWaalsContact C-N 3.3Å; I211-G213 PolarHBondContact O-N 3.22Å; I211-L363 HydrophobicContact CD1-CD1 4.08Å; I211-L363 HydrophobicContact CG1-CD1 4.49Å; I211-L363 HydrophobicContact CG1-CD2 4.34Å; I211-K365 HydrophobicContact CG2-CG 4.35Å; I211-S374 PolarHBondContact N-O 3.48Å; I211-S374 PolarHBondContact O-N 3.5Å; I211-S374 VanDerWaalsContact O-N 3.09Å; I211-I376 HydrophobicContact CG1-CD1 3.91Å; I211-I376 HydrophobicContact CG1-CG1 4.2Å
212S87.1Confident89.4Confident61 Ų6143.6 Ų43.643%0.42724%0.244SC..EExtended strand (participates in β ladder)trans-70.387.3168.9-178.80000109.2K365 N366S212-K365 WeakPolarHBondContact O-CA 3.19Å; S212-N366 PolarHBondContact O-N 2.71Å; S212-N366 PolarHBondContact OG-OD1 3Å
213G87.3Confident89.5Confident1 Ų150.9 Ų50.91%0.0127%0.271CS..EExtended strand (participates in β ladder)trans144.7-155.3-174.400000113.1I211 I364 S372 A373 S374I211-G213 VanDerWaalsContact C-N 3.3Å; I211-G213 PolarHBondContact O-N 3.22Å; G213-I364 CarbonylContact C-O 3.58Å; G213-I364 WeakPolarHBondContact CA-O 3.04Å; G213-S372 VanDerWaalsContact CA-O 3.31Å; G213-S372 WeakPolarHBondContact CA-O 3.28Å; G213-S372 PolarHBondContact N-O 2.82Å; G213-S372 CarbonylContact O-C 3.52Å; G213-A373 CarbonylContact O-C 3.57Å; G213-A373 VanDerWaalsContact O-CA 3.32Å; G213-A373 WeakPolarHBondContact O-CA 3.44Å; G213-A373 PolarHBondContact O-N 3.08Å; G213-S374 PolarHBondContact O-N 3.26Å; G213-S374 PolarHBondContact O-OG 2.98Å
214Y90.6Very high89.5Confident0 Ų045.2 Ų45.20%027%0.265CS..EExtended strand (participates in β ladder)trans-112.8128.5178-153.1-90.8000110.8N196 D315 R318 I319 I364 S374N196-Y214 HydrophobicContact CB-CE1 4.17Å; N196-Y214 HydrophobicContact CB-CE2 3.85Å; Y214-D315 HydrophobicContact CE1-CB 3.94Å; Y214-D315 PolarHBondContact OH-OD1 2.83Å; Y214-R318 HydrophobicContact CD2-CB 4.41Å; Y214-R318 HydrophobicContact CE2-CB 3.69Å; Y214-R318 HydrophobicContact CE2-CG 4.43Å; Y214-R318 WeakPolarHBondContact OH-CD 3.3Å; Y214-R318 PolarHBondContact OH-NH1 3.36Å; Y214-R318 VanDerWaalsContact OH-NH1 3.12Å; Y214-I319 HydrophobicContact CD1-CD1 3.69Å; Y214-I319 HydrophobicContact CD1-CG1 3.38Å; Y214-I319 HydrophobicContact CD2-CG1 4.47Å; Y214-I319 HydrophobicContact CE1-CD1 4.05Å; Y214-I319 HydrophobicContact CE1-CG1 3.89Å; Y214-I319 HydrophobicContact CG-CD1 4.48Å; Y214-I319 HydrophobicContact CG-CG1 3.71Å; Y214-I364 PolarHBondContact N-O 2.88Å; Y214-I364 PolarHBondContact O-N 2.85Å; Y214-S374 WeakPolarHBondContact CA-OG 3.22Å
215A92.1Very high89.5Confident0 Ų042.3 Ų42.30%024%0.244CC..EExtended strand (participates in β ladder)trans-99.5130.1172.600000109.5N196 L198 L363 S374 I376N196-A215 PolarHBondContact ND2-O 3.35Å; L198-A215 HydrophobicContact CD1-CB 3.54Å; L198-A215 HydrophobicContact CG-CB 4.45Å; A215-L363 HydrophobicContact CB-CD2 3.65Å; A215-S374 PolarHBondContact N-OG 2.82Å; A215-I376 HydrophobicContact CB-CD1 4.36Å; A215-I376 HydrophobicContact CB-CG1 4.44Å
216L91.6Very high89.6Confident2 Ų242.8 Ų42.81%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-117.5125.8-179.1-178.968.2000109.9C218 L287 V308 V311 D315 I319 I362L216-C218 VanDerWaalsContact C-N 3.27Å; L216-C218 HydrophobicContact CD2-CB 3.9Å; L216-C218 HydrophobicContact CG-CB 3.91Å; L216-C218 PolarHBondContact O-N 2.96Å; L216-L287 HydrophobicContact CD2-CD2 4.27Å; L216-V308 HydrophobicContact CD2-CG1 4.35Å; L216-V311 HydrophobicContact CD1-CG1 3.89Å; L216-V311 HydrophobicContact CD2-CG1 4.03Å; L216-V311 HydrophobicContact CD2-CG2 4.04Å; L216-D315 HydrophobicContact CD1-CB 3.98Å; L216-I319 HydrophobicContact CD1-CD1 4.36Å; L216-I319 HydrophobicContact CD2-CD1 4.4Å; L216-I362 HydrophobicContact CB-CB 4.37Å; L216-I362 PolarHBondContact N-O 3.19Å; L216-I362 PolarHBondContact O-N 3.16Å
217N89.9Confident89.7Confident90 Ų9044 Ų4448%0.48125%0.25SS..  trans-82.773.4173.8-167.51000110.8L198 L361L198-N217 HydrophobicContact CD1-CB 4.49Å; L198-N217 HydrophobicContact CD2-CB 3.95Å; N217-L361 HydrophobicContact CB-CD2 3.81Å; N217-L361 VanDerWaalsContact OD1-CD2 3.31Å; N217-L361 WeakPolarHBondContact OD1-CD2 3.17Å
218C88Confident89.8Confident18 Ų1847.7 Ų47.712%0.12226%0.261CS..  trans-145151.9176.6-69.90000109.7L216 V308 I362L216-C218 VanDerWaalsContact C-N 3.27Å; L216-C218 HydrophobicContact CD2-CB 3.9Å; L216-C218 HydrophobicContact CG-CB 3.91Å; L216-C218 PolarHBondContact O-N 2.96Å; C218-V308 HydrophobicContact CB-CG1 3.49Å; C218-V308 VanDerWaalsContact CB-CG1 3.49Å; C218-I362 HydrophobicContact CB-CD1 4.34Å; C218-I362 WeakPolarHBondContact O-CD1 3.43Å; C218-I362 WeakPolarHBondContact O-CG1 3.49Å
219V87.2Confident89.8Confident77 Ų7748.2 Ų48.247%0.46726%0.263SS..  trans-100152.9174.1-174.60000109.4E360V219-E360 HydrophobicContact CG2-CB 4.36Å
220V89.3Confident89.8Confident11 Ų1149.3 Ų49.37%0.06727%0.273CS..BIsolated β-bridgetrans-57.6147.6169.9-690000111.8S222 M306 Q353V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 WeakPolarHBondContact CG2-O 3.38Å; V220-S222 PolarHBondContact O-N 3.01Å; V220-M306 HydrophobicContact CG1-CE 3.32Å; V220-M306 HydrophobicContact CG1-CG 3.93Å; V220-M306 HydrophobicContact CG1-SD 4.45Å; V220-Q353 VanDerWaalsContact CG1-OE1 3.28Å; V220-Q353 VanDerWaalsContact CG2-OE1 3.31Å
221G83.7Confident89.7Confident9 Ų951.6 Ų51.69%0.09329%0.285CS..SBendtrans-64.3-32.1-177.100000113.8L297 A307G221-L297 WeakPolarHBondContact O-CD1 3.4Å; G221-A307 PolarHBondContact N-O 3.01Å
222S89.9Confident89.7Confident44 Ų4450.9 Ų50.931%0.30828%0.282SS..  trans-143.4147.1176.6179.60000111V220 G224 M225V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 WeakPolarHBondContact CG2-O 3.38Å; V220-S222 PolarHBondContact O-N 3.01Å; S222-G224 PolarHBondContact O-N 3.35Å; S222-G224 PolarHBondContact OG-N 2.87Å; S222-M225 WeakPolarHBondContact O-CB 3.38Å; S222-M225 PolarHBondContact O-N 3.49Å
223Q86.8Confident90Very high178 Ų17852.6 Ų52.683%0.83228%0.282SS*.THydrogen-bonded Turntrans-67.6-21.2178-66.1-177.2-4.100113.3M225Q223-M225 PolarHBondContact O-N 2.94Å
224G88Confident90.3Very high51 Ų5152.5 Ų52.553%0.52628%0.281SS..THydrogen-bonded Turntrans-75.1-4.2176.100000114.2S222S222-G224 PolarHBondContact O-N 3.35Å; S222-G224 PolarHBondContact OG-N 2.87Å
225M91.4Very high90.5Very high7 Ų752.5 Ų52.53%0.03428%0.281CS..SBendtrans-81.5150.8179-65.5179.9173.700111.4S222 Q223 K227 L297 F300 V301 A307S222-M225 WeakPolarHBondContact O-CB 3.38Å; S222-M225 PolarHBondContact O-N 3.49Å; Q223-M225 PolarHBondContact O-N 2.94Å; M225-K227 PolarHBondContact O-N 2.93Å; M225-L297 HydrophobicContact CE-CB 4.07Å; M225-L297 HydrophobicContact CE-CD2 3.49Å; M225-L297 VanDerWaalsContact CE-CD2 3.49Å; M225-L297 HydrophobicContact CE-CG 4.38Å; M225-L297 WeakPolarHBondContact CE-O 3.28Å; M225-F300 HydrophobicContact CE-CB 3.63Å; M225-V301 HydrophobicContact CE-CG2 3.92Å; M225-V301 HydrophobicContact CG-CG2 3.64Å; M225-A307 HydrophobicContact CE-CB 3.9Å; M225-A307 HydrophobicContact SD-CB 4.04Å; M225-A307 PolarHBondContact SD-N 3.14Å; M225-A307 VanDerWaalsContact SD-N 3.38Å
226P91.3Very high90.6Very high45 Ų4552.6 Ų52.629%0.29228%0.282SS..  trans-64.4128.7174.326-32.4000110.6I229 G304P226-I229 HydrophobicContact CG-CD1 4.33Å; P226-I229 HydrophobicContact CG-CG1 4.33Å; P226-G304 WeakPolarHBondContact CG-O 3.47Å
227K90.9Very high90.7Very high94 Ų9452.5 Ų52.541%0.40928%0.281SS..SBendtrans-80.9-14.9178.1-63.8-165.3176.5-163.30113.6M225 V352 Q353 E360M225-K227 PolarHBondContact O-N 2.93Å; K227-V352 WeakPolarHBondContact O-CA 3.35Å; K227-Q353 HydrophobicContact CB-CB 4.25Å; K227-Q353 PolarHBondContact O-N 3.41Å; K227-E360 IonicContact NZ-OE1 3.68Å; K227-E360 PolarHBondContact NZ-OE1 3.19Å; K227-E360 VanDerWaalsContact NZ-OE1 3.14Å
228R93Very high90.8Very high161 Ų16150 Ų5061%0.60827%0.268SS*.EExtended strand (participates in β ladder)trans-136.8128.1-179.6-173.5178-174.2-171.52.7110.5E350 V352R228-E350 IonicContact CZ-OE2 2.89Å; R228-E350 IonicContact NE-OE2 3.64Å; R228-E350 IonicContact NH2-OE2 3.06Å; R228-E350 PolarHBondContact NH2-OE2 3.44Å; R228-V352 HydrophobicContact CB-CG2 4.25Å; R228-V352 HydrophobicContact CG-CB 4.34Å; R228-V352 HydrophobicContact CG-CG2 4.12Å
229I93.1Very high90.9Very high15 Ų1550.3 Ų50.38%0.07727%0.267CS..EExtended strand (participates in β ladder)trans-130.5123.1179.9-65161.5000108.8P226 A232 N284 V285 M306 E350 V351P226-I229 HydrophobicContact CG-CD1 4.33Å; P226-I229 HydrophobicContact CG-CG1 4.33Å; I229-A232 HydrophobicContact CG2-CB 4.05Å; I229-N284 WeakPolarHBondContact CD1-O 3.25Å; I229-N284 HydrophobicContact CG2-CB 3.93Å; I229-V285 HydrophobicContact CB-CG2 4.48Å; I229-V285 HydrophobicContact CD1-CG2 3.61Å; I229-V285 HydrophobicContact CG2-CG2 4.43Å; I229-M306 HydrophobicContact CD1-CB 3.31Å; I229-M306 HydrophobicContact CD1-CG 4.34Å; I229-M306 HydrophobicContact CD1-SD 4.18Å; I229-E350 WeakPolarHBondContact O-CA 2.94Å; I229-V351 PolarHBondContact N-O 3.27Å; I229-V351 PolarHBondContact O-N 3.05Å
230V91.3Very high91Very high91 Ų9149.4 Ų49.455%0.55226%0.264SS*.EExtended strand (participates in β ladder)trans-95.9142174-176.90000108.9
231N90.8Very high90.9Very high112 Ų11249 Ų4960%0.59926%0.262SS*.EExtended strand (participates in β ladder)trans53.961.3-171.1-69.6-49000112.1K233 E349N231-K233 PolarHBondContact O-N 3.43Å; N231-E349 WeakPolarHBondContact CA-O 3.29Å; N231-E349 PolarHBondContact N-O 3.41Å
232A90.1Very high91.1Very high2 Ų252.6 Ų52.62%0.01728%0.276CS..EExtended strand (participates in β ladder)trans-74124.5-175.900000111.8I229 I234 V285 A348 V351I229-A232 HydrophobicContact CG2-CB 4.05Å; A232-I234 HydrophobicContact CB-CG1 4.37Å; A232-V285 HydrophobicContact CB-CG2 3.94Å; A232-A348 HydrophobicContact CB-CB 4.46Å; A232-A348 PolarHBondContact N-O 3.29Å; A232-A348 PolarHBondContact O-N 2.63Å; A232-V351 HydrophobicContact CB-CB 4.07Å; A232-V351 HydrophobicContact CB-CG2 3.46Å; A232-V351 VanDerWaalsContact CB-CG2 3.46Å
233K94.1Very high90.7Very high96 Ų9655.6 Ų55.642%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-95.5115.7162.6-60.6-169.3-165.8169.80109.1N231 G282 N284 V285 L345 G346N231-K233 PolarHBondContact O-N 3.43Å; K233-G282 WeakPolarHBondContact CD-O 3.31Å; K233-N284 PolarHBondContact O-N 3.48Å; K233-V285 PolarHBondContact O-N 3.33Å; K233-L345 HydrophobicContact CB-CB 4.47Å; K233-L345 HydrophobicContact CB-CD1 4.17Å; K233-L345 HydrophobicContact CD-CD1 4.08Å; K233-G346 CarbonylContact C-O 3.54Å; K233-G346 VanDerWaalsContact CA-O 3.31Å; K233-G346 WeakPolarHBondContact CA-O 3.45Å
234I93.6Very high90.2Very high0 Ų050.3 Ų50.30%026%0.264CS..EExtended strand (participates in β ladder)trans-102.6121.2-169.8-54.2167.9000109.5A232 V285 L287 G346 A348 V351 I364A232-I234 HydrophobicContact CB-CG1 4.37Å; I234-V285 CarbonylContact C-O 3.6Å; I234-V285 WeakPolarHBondContact CA-O 3.47Å; I234-V285 HydrophobicContact CG1-CB 4.18Å; I234-V285 HydrophobicContact CG1-CG1 4.45Å; I234-V285 HydrophobicContact CG2-CG1 4.36Å; I234-L287 HydrophobicContact CG2-CD1 3.74Å; I234-L287 HydrophobicContact CG2-CG 4.05Å; I234-G346 PolarHBondContact N-O 3.28Å; I234-G346 PolarHBondContact O-N 2.97Å; I234-A348 HydrophobicContact CD1-CB 3.72Å; I234-V351 HydrophobicContact CD1-CG2 4.2Å; I234-V351 HydrophobicContact CG1-CG2 4.42Å; I234-I364 HydrophobicContact CD1-CD1 4.38Å; I234-I364 HydrophobicContact CD1-CG2 3.71Å
235A94.5Very high89.6Confident0 Ų056.8 Ų56.80%028%0.277CS..EExtended strand (participates in β ladder)trans-95.7126.417000000110I278 A283 V285 I286 L287 F340 L345A235-I278 HydrophobicContact CB-CG2 4.46Å; A235-A283 HydrophobicContact CB-CB 4.22Å; A235-V285 PolarHBondContact N-O 3.27Å; A235-I286 HydrophobicContact CB-CG1 4.33Å; A235-L287 PolarHBondContact O-N 3.13Å; A235-F340 HydrophobicContact CB-CZ 3.81Å; A235-L345 HydrophobicContact CB-CD2 3.77Å
236C94.3Very high88.9Confident1 Ų160.7 Ų60.71%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-106.4107.7176.6-66.90000110.5L316 A320 A325 I327 L328C236-L316 HydrophobicContact CB-CD1 3.75Å; C236-L316 HydrophobicContact CB-CD2 4.33Å; C236-L316 HydrophobicContact CB-CG 4.01Å; C236-A320 HydrophobicContact CB-CB 4.32Å; C236-A325 HydrophobicContact CB-CB 4.33Å; C236-I327 HydrophobicContact CB-CG1 4.35Å; C236-I327 WeakPolarHBondContact O-CA 3.27Å; C236-L328 PolarHBondContact O-N 3.17Å
237L93.3Very high88.2Confident0 Ų067 Ų670%032%0.319CS..EExtended strand (participates in β ladder)trans-114.2129.5-173.5-52.4179.4000111.2F239 I278 I286 L287 T288 T289 L328 F340L237-F239 HydrophobicContact CB-CD1 4.3Å; L237-F239 HydrophobicContact CB-CE1 3.96Å; L237-F239 HydrophobicContact CB-CZ 4.17Å; L237-F239 HydrophobicContact CD1-CE1 4.46Å; L237-F239 HydrophobicContact CD1-CE2 4.34Å; L237-F239 HydrophobicContact CD1-CZ 3.89Å; L237-F239 HydrophobicContact CD2-CE1 3.79Å; L237-F239 HydrophobicContact CD2-CZ 3.88Å; L237-F239 HydrophobicContact CG-CE1 4.27Å; L237-F239 HydrophobicContact CG-CZ 4.19Å; L237-I278 HydrophobicContact CD1-CD1 3.82Å; L237-I286 HydrophobicContact CD1-CG2 3.67Å; L237-I286 HydrophobicContact CG-CG2 4.4Å; L237-L287 PolarHBondContact N-O 3.01Å; L237-T288 HydrophobicContact CB-CG2 4.46Å; L237-T288 WeakPolarHBondContact O-CA 3.4Å; L237-T289 PolarHBondContact O-N 3.13Å; L237-L328 HydrophobicContact CD2-CB 4.35Å; L237-F340 HydrophobicContact CD2-CE2 4.06Å
238D92.9Very high87.5Confident37 Ų3771.3 Ų71.320%0.19835%0.346CS..  trans-10841.6176.5-166.132.6000111.9T289 K313 I327 L328D238-T289 VanDerWaalsContact CA-OG1 3.32Å; D238-T289 WeakPolarHBondContact CA-OG1 3.43Å; D238-T289 HydrophobicContact CB-CG2 4.39Å; D238-T289 WeakPolarHBondContact OD1-CB 3.45Å; D238-T289 VanDerWaalsContact OD1-CG2 3.24Å; D238-T289 WeakPolarHBondContact OD1-CG2 3.45Å; D238-T289 PolarHBondContact OD1-OG1 2.93Å; D238-K313 IonicContact OD1-NZ 2.98Å; D238-K313 WeakPolarHBondContact OD2-CE 3.28Å; D238-K313 IonicContact OD2-NZ 3.23Å; D238-K313 PolarHBondContact OD2-NZ 2.99Å; D238-I327 HydrophobicContact CB-CG2 3.82Å; D238-L328 PolarHBondContact N-O 2.96Å
239F88.6Confident86.9Confident25 Ų2567.6 Ų67.611%0.1136%0.357CS..SBendtrans-147.6153.7174.459-94.6000110.6L237 L241 R274 T288 L328 L331L237-F239 HydrophobicContact CB-CD1 4.3Å; L237-F239 HydrophobicContact CB-CE1 3.96Å; L237-F239 HydrophobicContact CB-CZ 4.17Å; L237-F239 HydrophobicContact CD1-CE1 4.46Å; L237-F239 HydrophobicContact CD1-CE2 4.34Å; L237-F239 HydrophobicContact CD1-CZ 3.89Å; L237-F239 HydrophobicContact CD2-CE1 3.79Å; L237-F239 HydrophobicContact CD2-CZ 3.88Å; L237-F239 HydrophobicContact CG-CE1 4.27Å; L237-F239 HydrophobicContact CG-CZ 4.19Å; F239-L241 HydrophobicContact CD2-CD2 4.34Å; F239-L241 HydrophobicContact CE2-CD2 3.72Å; F239-L241 HydrophobicContact CE2-CG 4.35Å; F239-R274 VanDerWaalsContact CD2-NH2 3.25Å; F239-R274 VanDerWaalsContact CZ-NH2 3.27Å; F239-T288 WeakPolarHBondContact O-CG2 3.43Å; F239-L328 WeakPolarHBondContact CD1-O 3.42Å; F239-L328 HydrophobicContact CE1-CB 4.48Å; F239-L331 HydrophobicContact CE1-CD2 4.17Å; F239-L331 HydrophobicContact CE1-CG 4.14Å; F239-L331 HydrophobicContact CZ-CD1 4.21Å; F239-L331 HydrophobicContact CZ-CD2 4.07Å; F239-L331 HydrophobicContact CZ-CG 3.87Å
240S90Very high86.4Confident58 Ų5871 Ų7141%0.40638%0.379SS..  trans-77.9145.4178.4-600000112.4G290 G291S240-G290 VanDerWaalsContact OG-CA 3.26Å; S240-G290 WeakPolarHBondContact OG-CA 3.49Å; S240-G291 CarbonylContact C-O 3.46Å; S240-G291 WeakPolarHBondContact CA-O 3.31Å; S240-G291 WeakPolarHBondContact CB-O 3.26Å; S240-G291 PolarHBondContact OG-N 2.87Å
241L88.3Confident85.7Confident4 Ų475 Ų752%0.02139%0.392CS..BIsolated β-bridgetrans-103.576.8170.3-69.1174.5000108.8F239 R274 I275 G291 I292 D293 F300F239-L241 HydrophobicContact CD2-CD2 4.34Å; F239-L241 HydrophobicContact CE2-CD2 3.72Å; F239-L241 HydrophobicContact CE2-CG 4.35Å; L241-R274 HydrophobicContact CD2-CG 4.35Å; L241-I275 HydrophobicContact CD1-CG1 4.29Å; L241-I275 HydrophobicContact CD2-CG1 4.18Å; L241-G291 PolarHBondContact N-O 3.09Å; L241-I292 HydrophobicContact CB-CG1 4.32Å; L241-I292 HydrophobicContact CB-CG2 4.13Å; L241-I292 WeakPolarHBondContact O-CA 3.33Å; L241-D293 PolarHBondContact O-N 3.17Å; L241-F300 HydrophobicContact CD1-CE2 3.76Å; L241-F300 HydrophobicContact CD1-CZ 3.63Å
242Q86.5Confident85.1Confident83 Ų8373 Ų7339%0.38838%0.383SS..SBendtrans-129.9161.1-178.2-60.7-172.2-49.300109.8T244 T271 D293Q242-T244 PolarHBondContact O-N 2.75Å; Q242-T244 VanDerWaalsContact O-N 3.07Å; Q242-T271 WeakPolarHBondContact O-CG2 3.38Å; Q242-D293 VanDerWaalsContact CA-OD2 3.25Å; Q242-D293 WeakPolarHBondContact CA-OD2 3.48Å; Q242-D293 WeakPolarHBondContact CB-OD2 3.34Å; Q242-D293 VanDerWaalsContact CG-OD1 3.26Å; Q242-D293 WeakPolarHBondContact CG-OD1 3.36Å; Q242-D293 PolarHBondContact NE2-OD1 3.2Å
243K82.1Confident84.8Confident107 Ų10778.9 Ų78.947%0.46542%0.419SS..  trans-48.3121.3172.8-72.4-170.6176.7-169.70109.6K245 D293K243-K245 PolarHBondContact O-N 2.66Å; K243-D293 PolarHBondContact N-OD2 3.16Å
244T75.3Confident84.2Confident67 Ų6777.2 Ų77.241%0.41141%0.414SS..  trans-71.2108.1-173.7-61.70000108.2Q242Q242-T244 PolarHBondContact O-N 2.75Å; Q242-T244 VanDerWaalsContact O-N 3.07Å
245K75.4Confident83.8Confident188 Ų18882.7 Ų82.782%0.81745%0.447SS*.PPolyproline II helixtrans-75.8141.8169.4-68-172.4179.5-177.80109.2K243K243-K245 PolarHBondContact O-N 2.66Å
246M77.4Confident83.5Confident88 Ų8886 Ų8643%0.43347%0.465SS..PPolyproline II helixtrans-59.9148.9172-64.4-157.9179.500111.2V250 V252 I263M246-V250 HydrophobicContact CB-CB 4.29Å; M246-V250 HydrophobicContact SD-CB 4.41Å; M246-V250 HydrophobicContact SD-CG1 3.68Å; M246-V252 HydrophobicContact CE-CG2 3.71Å; M246-V252 HydrophobicContact SD-CG2 3.28Å; M246-V252 WeakPolarHBondContact SD-CG2 3.41Å; M246-I263 HydrophobicContact CE-CG2 4.1Å
247K76.8Confident83.1Confident177 Ų17791.2 Ų91.277%0.7750%0.499SS*.PPolyproline II helixtrans-61145.2178.3-72.5-173.7177.8179.70110.3G249 V250K247-G249 PolarHBondContact O-N 3.11Å; K247-V250 PolarHBondContact O-N 3.25Å; K247-V250 VanDerWaalsContact O-N 3.11Å
248L76.7Confident82.7Confident186 Ų18698.7 Ų98.797%0.97453%0.534SS*.THydrogen-bonded Turntrans-52.2126.5171.7-72.6164.1000109.5
249G79.9Confident82.3Confident82 Ų82101.8 Ų101.885%0.84555%0.545SS*.THydrogen-bonded Turntrans103.9-9.2-176.800000115.2K247K247-G249 PolarHBondContact O-N 3.11Å
250V82.1Confident82Confident87 Ų87103.4 Ų103.453%0.52756%0.555SS.*  trans-91111170.7-176.20000109.2M246 K247M246-V250 HydrophobicContact CB-CB 4.29Å; M246-V250 HydrophobicContact SD-CB 4.41Å; M246-V250 HydrophobicContact SD-CG1 3.68Å; K247-V250 PolarHBondContact O-N 3.25Å; K247-V250 VanDerWaalsContact O-N 3.11Å
251Q78.1Confident81.8Confident175 Ų175105 Ų10582%0.81856%0.559SS**  trans-98.5118.4170.9-69.4-177.8-3.400109.2V253Q251-V253 PolarHBondContact O-N 3.31Å
252V77.3Confident81.7Confident70 Ų70110.7 Ų110.742%0.42459%0.585SS.*  trans-86.399.4176.4-165.80000108M246 I254 I263M246-V252 HydrophobicContact CE-CG2 3.71Å; M246-V252 HydrophobicContact SD-CG2 3.28Å; M246-V252 WeakPolarHBondContact SD-CG2 3.41Å; V252-I254 HydrophobicContact CG1-CD1 3.92Å; V252-I254 HydrophobicContact CG1-CG1 3.68Å; V252-I263 HydrophobicContact CG1-CD1 3.85Å
253V82.9Confident81.6Confident126 Ų126109 Ų10976%0.76458%0.579SS**  trans-85.3111.8172.1-177.30000108Q251Q251-V253 PolarHBondContact O-N 3.31Å
254I82Confident81.6Confident61 Ų61111.2 Ų111.231%0.31358%0.584SS.*  trans-106.5117.7-177.2-59.5173000108.4V252 D256 L260 I263V252-I254 HydrophobicContact CG1-CD1 3.92Å; V252-I254 HydrophobicContact CG1-CG1 3.68Å; I254-D256 WeakPolarHBondContact CG2-O 3.48Å; I254-L260 HydrophobicContact CD1-CB 3.98Å; I254-L260 HydrophobicContact CD1-CD1 3.67Å; I254-L260 HydrophobicContact CD1-CG 3.92Å; I254-L260 HydrophobicContact CG2-CB 4.33Å; I254-I263 HydrophobicContact CD1-CD1 4.03Å; I254-I263 HydrophobicContact CG1-CD1 4.29Å
255T86.2Confident82.1Confident115 Ų115113.8 Ų113.871%0.70659%0.592SS**SBendtrans-90.4-27.1173.455.20000112.5
256D88.4Confident82.6Confident69 Ų69110.5 Ų110.537%0.36957%0.574SS.*SBendtrans-116.3122.1-175.1-52.8-37.2000110.9I254 E258 K259I254-D256 WeakPolarHBondContact CG2-O 3.48Å; D256-E258 VanDerWaalsContact C-N 3.28Å; D256-E258 PolarHBondContact O-N 2.78Å; D256-K259 HydrophobicContact CB-CD 4.19Å; D256-K259 HydrophobicContact CB-CG 4.31Å; D256-K259 PolarHBondContact O-N 2.92Å; D256-K259 WeakPolarHBondContact OD2-CE 3.34Å; D256-K259 IonicContact OD2-NZ 2.75Å; D256-K259 PolarHBondContact OD2-NZ 3.5Å
257P84.6Confident82.9Confident110 Ų110109 Ų10971%0.71457%0.566SS**Hα-helixtrans-57.7-33.6-179.6-26.634.7000114.6K259 L260P257-K259 VanDerWaalsContact C-N 3.3Å; P257-K259 PolarHBondContact O-N 3.06Å; P257-L260 WeakPolarHBondContact O-CB 3.13Å; P257-L260 PolarHBondContact O-N 2.87Å; P257-L260 VanDerWaalsContact O-N 3.13Å
258E85.6Confident83.2Confident157 Ų157102.2 Ų102.273%0.73454%0.54SS*.Hα-helixtrans-65.5-31.7-179.3-63.8-176.817100113.1D256 L260 D261 Q262D256-E258 VanDerWaalsContact C-N 3.28Å; D256-E258 PolarHBondContact O-N 2.78Å; E258-L260 PolarHBondContact O-N 3.5Å; E258-D261 PolarHBondContact O-N 3.47Å; E258-Q262 PolarHBondContact O-N 3.01Å
259K84.6Confident83.6Confident102 Ų10296.1 Ų96.144%0.44351%0.509SS..Hα-helixtrans-68.7-25.6176.2-72176.6179.41520111.9D256 P257 Q262 I263D256-K259 HydrophobicContact CB-CD 4.19Å; D256-K259 HydrophobicContact CB-CG 4.31Å; D256-K259 PolarHBondContact O-N 2.92Å; D256-K259 WeakPolarHBondContact OD2-CE 3.34Å; D256-K259 IonicContact OD2-NZ 2.75Å; D256-K259 PolarHBondContact OD2-NZ 3.5Å; P257-K259 VanDerWaalsContact C-N 3.3Å; P257-K259 PolarHBondContact O-N 3.06Å; K259-Q262 PolarHBondContact O-N 3.06Å; K259-I263 WeakPolarHBondContact O-CD1 3.43Å; K259-I263 WeakPolarHBondContact O-CG1 3.19Å; K259-I263 PolarHBondContact O-N 3.32Å
260L82.9Confident83.9Confident60 Ų6095 Ų9531%0.31448%0.483SS..Hα-helixtrans-64-41.9178.6-169.1135.8000111.6I254 P257 E258 I263 R264I254-L260 HydrophobicContact CD1-CB 3.98Å; I254-L260 HydrophobicContact CD1-CD1 3.67Å; I254-L260 HydrophobicContact CD1-CG 3.92Å; I254-L260 HydrophobicContact CG2-CB 4.33Å; P257-L260 WeakPolarHBondContact O-CB 3.13Å; P257-L260 PolarHBondContact O-N 2.87Å; P257-L260 VanDerWaalsContact O-N 3.13Å; E258-L260 PolarHBondContact O-N 3.5Å; L260-I263 PolarHBondContact O-N 3.11Å; L260-R264 VanDerWaalsContact CD2-CZ 3.41Å; L260-R264 WeakPolarHBondContact O-CG 3.25Å; L260-R264 PolarHBondContact O-N 2.76Å; L260-R264 VanDerWaalsContact O-N 3.1Å
261D84.7Confident84Confident91 Ų9191.4 Ų91.449%0.48746%0.461SS..Hα-helixtrans-70.3-38.8177.3-80.8-15.6000111.9E258 I263 R264 Q265E258-D261 PolarHBondContact O-N 3.47Å; D261-I263 PolarHBondContact O-N 3.03Å; D261-R264 PolarHBondContact O-N 3.09Å; D261-Q265 WeakPolarHBondContact O-CG 3.33Å; D261-Q265 PolarHBondContact O-N 3.14Å
262Q86.1Confident84.5Confident123 Ų12386.3 Ų86.358%0.57544%0.436SS*.Hα-helixtrans-61.9-41.8174.6-66.8178.22.800112.1E258 K259 Q265 R266E258-Q262 PolarHBondContact O-N 3.01Å; K259-Q262 PolarHBondContact O-N 3.06Å; Q262-Q265 PolarHBondContact O-N 2.86Å; Q262-R266 WeakPolarHBondContact O-CB 3.39Å; Q262-R266 PolarHBondContact O-N 3.39Å
263I84.4Confident85Confident49 Ų4986.5 Ų86.525%0.25143%0.432SS..Hα-helixtrans-64.5-44.8177.6-68.1163.4000110.4M246 V252 I254 K259 L260 D261 Q265 R266 E267M246-I263 HydrophobicContact CE-CG2 4.1Å; V252-I263 HydrophobicContact CG1-CD1 3.85Å; I254-I263 HydrophobicContact CD1-CD1 4.03Å; I254-I263 HydrophobicContact CG1-CD1 4.29Å; K259-I263 WeakPolarHBondContact O-CD1 3.43Å; K259-I263 WeakPolarHBondContact O-CG1 3.19Å; K259-I263 PolarHBondContact O-N 3.32Å; L260-I263 PolarHBondContact O-N 3.11Å; D261-I263 PolarHBondContact O-N 3.03Å; I263-Q265 VanDerWaalsContact C-N 3.34Å; I263-Q265 PolarHBondContact O-N 2.78Å; I263-R266 PolarHBondContact O-N 2.68Å; I263-E267 WeakPolarHBondContact O-CG 3.25Å; I263-E267 PolarHBondContact O-N 3.2Å
264R82.6Confident85.3Confident152 Ų15282.3 Ų82.357%0.57440%0.403SS*.Hα-helixtrans-61.4-39.5176.2-76.6175.9171.1176-1.8113L260 D261 S268L260-R264 VanDerWaalsContact CD2-CZ 3.41Å; L260-R264 WeakPolarHBondContact O-CG 3.25Å; L260-R264 PolarHBondContact O-N 2.76Å; L260-R264 VanDerWaalsContact O-N 3.1Å; D261-R264 PolarHBondContact O-N 3.09Å; R264-S268 PolarHBondContact O-OG 3.14Å
265Q85.4Confident85.6Confident122 Ų12279.5 Ų79.557%0.5739%0.388SS*.Hα-helixtrans-65.1-46.7174.4-73.5-1801400110.5D261 Q262 I263 E267 S268 D269D261-Q265 WeakPolarHBondContact O-CG 3.33Å; D261-Q265 PolarHBondContact O-N 3.14Å; Q262-Q265 PolarHBondContact O-N 2.86Å; I263-Q265 VanDerWaalsContact C-N 3.34Å; I263-Q265 PolarHBondContact O-N 2.78Å; Q265-E267 VanDerWaalsContact C-N 3.32Å; Q265-E267 PolarHBondContact O-N 2.99Å; Q265-S268 CarbonylContact O-C 3.59Å; Q265-S268 WeakPolarHBondContact O-CA 3.41Å; Q265-S268 WeakPolarHBondContact O-CB 3.34Å; Q265-S268 PolarHBondContact O-N 3.34Å; Q265-D269 VanDerWaalsContact O-CG 3.32Å; Q265-D269 PolarHBondContact O-N 2.68Å
266R86.5Confident85.8Confident119 Ų11979.2 Ų79.245%0.44938%0.379SS..Hα-helixtrans-60.3-38.8-179.8-166.968-168.6149.97.5113Q262 I263 S268 D269 I270 E273Q262-R266 WeakPolarHBondContact O-CB 3.39Å; Q262-R266 PolarHBondContact O-N 3.39Å; I263-R266 PolarHBondContact O-N 2.68Å; R266-S268 PolarHBondContact O-N 3.11Å; R266-D269 PolarHBondContact O-N 3.35Å; R266-I270 HydrophobicContact CG-CD1 4.27Å; R266-I270 HydrophobicContact CG-CG1 4.46Å; R266-I270 WeakPolarHBondContact O-CD1 3.48Å; R266-I270 VanDerWaalsContact O-CG1 3.23Å; R266-I270 WeakPolarHBondContact O-CG1 3.43Å; R266-I270 PolarHBondContact O-N 3.4Å; R266-E273 IonicContact CZ-OE1 2.68Å; R266-E273 IonicContact NH1-OE1 3.91Å; R266-E273 PolarHBondContact NH1-OE1 3.16Å; R266-E273 IonicContact NH2-OE1 2.65Å; R266-E273 PolarHBondContact NH2-OE1 2.82Å; R266-E273 VanDerWaalsContact NH2-OE1 3.15Å; R266-E273 IonicContact NH2-OE2 2.75Å; R266-E273 PolarHBondContact NH2-OE2 3.02Å
267E83.3Confident85.8Confident57 Ų5779.4 Ų79.427%0.26638%0.377SS..Hα-helixtrans-57.7-35.4174-74.2-178.7168.300112.8I263 Q265I263-E267 WeakPolarHBondContact O-CG 3.25Å; I263-E267 PolarHBondContact O-N 3.2Å; Q265-E267 VanDerWaalsContact C-N 3.32Å; Q265-E267 PolarHBondContact O-N 2.99Å
268S82.4Confident86Confident33 Ų3374.1 Ų74.123%0.23134%0.343CS..Hα-helixtrans-80.2-39.4176.9-56.20000111.2R264 Q265 R266 I270 T271 K272R264-S268 PolarHBondContact O-OG 3.14Å; Q265-S268 CarbonylContact O-C 3.59Å; Q265-S268 WeakPolarHBondContact O-CA 3.41Å; Q265-S268 WeakPolarHBondContact O-CB 3.34Å; Q265-S268 PolarHBondContact O-N 3.34Å; R266-S268 PolarHBondContact O-N 3.11Å; S268-I270 PolarHBondContact O-N 3.29Å; S268-T271 PolarHBondContact O-N 2.95Å; S268-T271 PolarHBondContact O-OG1 3.4Å; S268-K272 PolarHBondContact O-N 2.89Å; S268-K272 VanDerWaalsContact O-N 3.12Å
269D86.1Confident86.3Confident59 Ų5968.4 Ų68.432%0.31632%0.317SS..Hα-helixtrans-64.2-38-179.5-67.3-28.4000112.6Q265 R266 T271 K272 E273Q265-D269 VanDerWaalsContact O-CG 3.32Å; Q265-D269 PolarHBondContact O-N 2.68Å; R266-D269 PolarHBondContact O-N 3.35Å; D269-T271 VanDerWaalsContact C-N 3.26Å; D269-T271 PolarHBondContact O-N 2.89Å; D269-K272 WeakPolarHBondContact O-CB 3.37Å; D269-K272 PolarHBondContact O-N 3.46Å; D269-K272 VanDerWaalsContact O-N 3.07Å; D269-E273 WeakPolarHBondContact O-CG 3.34Å; D269-E273 PolarHBondContact O-N 3.4Å
270I85.8Confident86.5Confident58 Ų5867.8 Ų67.830%0.29733%0.331SS..Hα-helixtrans-56.2-44.3175.9-68161.1000110.7R266 S268 K272 R274R266-I270 HydrophobicContact CG-CD1 4.27Å; R266-I270 HydrophobicContact CG-CG1 4.46Å; R266-I270 WeakPolarHBondContact O-CD1 3.48Å; R266-I270 VanDerWaalsContact O-CG1 3.23Å; R266-I270 WeakPolarHBondContact O-CG1 3.43Å; R266-I270 PolarHBondContact O-N 3.4Å; S268-I270 PolarHBondContact O-N 3.29Å; I270-K272 VanDerWaalsContact C-N 3.35Å; I270-R274 WeakPolarHBondContact O-CB 3.3Å; I270-R274 PolarHBondContact O-N 3.27Å; I270-R274 VanDerWaalsContact O-N 3.13Å
271T84.6Confident86.8Confident11 Ų1166.4 Ų66.47%0.06733%0.325CS..Hα-helixtrans-69.1-35.5178.664.60000112.1Q242 S268 D269 R274 I275Q242-T271 WeakPolarHBondContact O-CG2 3.38Å; S268-T271 PolarHBondContact O-N 2.95Å; S268-T271 PolarHBondContact O-OG1 3.4Å; D269-T271 VanDerWaalsContact C-N 3.26Å; D269-T271 PolarHBondContact O-N 2.89Å; T271-R274 PolarHBondContact O-N 2.88Å; T271-I275 WeakPolarHBondContact O-CD1 3.42Å; T271-I275 VanDerWaalsContact O-CG1 3.27Å; T271-I275 WeakPolarHBondContact O-CG1 3.36Å; T271-I275 PolarHBondContact O-N 3.06Å
272K87.8Confident86.9Confident69 Ų6963.3 Ų63.330%0.331%0.314SS..Hα-helixtrans-66.5-47.6176.8-173.8-177-176178.60111.4S268 D269 I270 R274 I275 Q276 Y299S268-K272 PolarHBondContact O-N 2.89Å; S268-K272 VanDerWaalsContact O-N 3.12Å; D269-K272 WeakPolarHBondContact O-CB 3.37Å; D269-K272 PolarHBondContact O-N 3.46Å; D269-K272 VanDerWaalsContact O-N 3.07Å; I270-K272 VanDerWaalsContact C-N 3.35Å; K272-R274 VanDerWaalsContact C-N 3.28Å; K272-R274 PolarHBondContact O-N 3.29Å; K272-I275 PolarHBondContact O-N 3.24Å; K272-Q276 WeakPolarHBondContact O-CB 3.37Å; K272-Q276 WeakPolarHBondContact O-CG 3.48Å; K272-Q276 PolarHBondContact O-N 3.45Å; K272-Y299 HydrophobicContact CB-CE2 3.91Å; K272-Y299 HydrophobicContact CD-CE1 4.31Å; K272-Y299 HydrophobicContact CD-CE2 4.22Å; K272-Y299 HydrophobicContact CG-CD2 4.25Å; K272-Y299 HydrophobicContact CG-CE1 4.4Å; K272-Y299 HydrophobicContact CG-CE2 3.72Å
273E88.9Confident87.2Confident73 Ų7357.5 Ų57.534%0.34129%0.287SS..Hα-helixtrans-56.2-44.8175.4-73.6174.2-165.500110.5R266 D269 I275 Q276 K277R266-E273 IonicContact CZ-OE1 2.68Å; R266-E273 IonicContact NH1-OE1 3.91Å; R266-E273 PolarHBondContact NH1-OE1 3.16Å; R266-E273 IonicContact NH2-OE1 2.65Å; R266-E273 PolarHBondContact NH2-OE1 2.82Å; R266-E273 VanDerWaalsContact NH2-OE1 3.15Å; R266-E273 IonicContact NH2-OE2 2.75Å; R266-E273 PolarHBondContact NH2-OE2 3.02Å; D269-E273 WeakPolarHBondContact O-CG 3.34Å; D269-E273 PolarHBondContact O-N 3.4Å; E273-I275 PolarHBondContact O-N 3.23Å; E273-Q276 PolarHBondContact O-N 2.96Å; E273-K277 VanDerWaalsContact O-CG 3.32Å; E273-K277 WeakPolarHBondContact O-CG 3.03Å; E273-K277 PolarHBondContact O-N 3.24Å
274R87.9Confident87.6Confident39 Ų3958.2 Ų58.215%0.14729%0.291CS..Hα-helixtrans-60.4-44.2177.2-175.8140.6179.8167.6-5.1113F239 L241 I270 T271 K272 I278 L331 E338F239-R274 VanDerWaalsContact CD2-NH2 3.25Å; F239-R274 VanDerWaalsContact CZ-NH2 3.27Å; L241-R274 HydrophobicContact CD2-CG 4.35Å; I270-R274 WeakPolarHBondContact O-CB 3.3Å; I270-R274 PolarHBondContact O-N 3.27Å; I270-R274 VanDerWaalsContact O-N 3.13Å; T271-R274 PolarHBondContact O-N 2.88Å; K272-R274 VanDerWaalsContact C-N 3.28Å; K272-R274 PolarHBondContact O-N 3.29Å; R274-I278 WeakPolarHBondContact O-CD1 3.49Å; R274-I278 WeakPolarHBondContact O-CG1 3.34Å; R274-I278 PolarHBondContact O-N 3.25Å; R274-L331 HydrophobicContact CG-CD1 3.39Å; R274-E338 IonicContact CZ-OE1 3.37Å; R274-E338 IonicContact NH1-OE1 3.4Å; R274-E338 PolarHBondContact NH1-OE1 3.07Å
275I88.8Confident88.2Confident1 Ų151 Ų511%0.00526%0.264CS..Hα-helixtrans-67.5-43177.6-70.4163.1000111.2L241 T271 K272 E273 K277 I278 L279 C296 Y299 F300L241-I275 HydrophobicContact CD1-CG1 4.29Å; L241-I275 HydrophobicContact CD2-CG1 4.18Å; T271-I275 WeakPolarHBondContact O-CD1 3.42Å; T271-I275 VanDerWaalsContact O-CG1 3.27Å; T271-I275 WeakPolarHBondContact O-CG1 3.36Å; T271-I275 PolarHBondContact O-N 3.06Å; K272-I275 PolarHBondContact O-N 3.24Å; E273-I275 PolarHBondContact O-N 3.23Å; I275-K277 VanDerWaalsContact C-N 3.31Å; I275-K277 PolarHBondContact O-N 3.48Å; I275-I278 PolarHBondContact O-N 3.45Å; I275-I278 VanDerWaalsContact O-N 3.17Å; I275-L279 HydrophobicContact CG2-CD1 3.68Å; I275-L279 HydrophobicContact CG2-CG 4.3Å; I275-L279 WeakPolarHBondContact O-CG 3.41Å; I275-L279 PolarHBondContact O-N 3.05Å; I275-C296 HydrophobicContact CD1-CB 3.45Å; I275-C296 VanDerWaalsContact CD1-CB 3.45Å; I275-C296 VanDerWaalsContact CD1-SG 3.58Å; I275-Y299 HydrophobicContact CD1-CD2 4.17Å; I275-F300 HydrophobicContact CB-CE1 4.45Å; I275-F300 HydrophobicContact CB-CZ 4.36Å; I275-F300 HydrophobicContact CD1-CE2 4.43Å; I275-F300 HydrophobicContact CD1-CZ 4.34Å; I275-F300 HydrophobicContact CG1-CE1 4.44Å; I275-F300 HydrophobicContact CG1-CE2 4.43Å; I275-F300 HydrophobicContact CG1-CZ 3.87Å; I275-F300 HydrophobicContact CG2-CD1 4.05Å; I275-F300 HydrophobicContact CG2-CE1 3.44Å; I275-F300 VanDerWaalsContact CG2-CE1 3.44Å; I275-F300 HydrophobicContact CG2-CZ 3.74Å
276Q90.3Very high88.6Confident109 Ų10945.1 Ų45.151%0.50924%0.237SC..Hα-helixtrans-61.6-39.2178-76-176.6-13.600111.9K272 E273 I278 L279 A280K272-Q276 WeakPolarHBondContact O-CB 3.37Å; K272-Q276 WeakPolarHBondContact O-CG 3.48Å; K272-Q276 PolarHBondContact O-N 3.45Å; E273-Q276 PolarHBondContact O-N 2.96Å; Q276-I278 VanDerWaalsContact C-N 3.35Å; Q276-I278 PolarHBondContact O-N 2.63Å; Q276-L279 PolarHBondContact O-N 3Å; Q276-A280 WeakPolarHBondContact O-CB 3.37Å; Q276-A280 PolarHBondContact O-N 3.4Å
277K88.6Confident89Confident73 Ų7339.5 Ų39.532%0.31722%0.216SC..Hα-helixtrans-60-43.5174-71.2171.9-175.5-176.80112.1E273 I275 T281 E338E273-K277 VanDerWaalsContact O-CG 3.32Å; E273-K277 WeakPolarHBondContact O-CG 3.03Å; E273-K277 PolarHBondContact O-N 3.24Å; I275-K277 VanDerWaalsContact C-N 3.31Å; I275-K277 PolarHBondContact O-N 3.48Å; K277-T281 PolarHBondContact O-N 2.9Å; K277-T281 PolarHBondContact O-OG1 3.13Å; K277-E338 WeakPolarHBondContact CD-O 3.25Å; K277-E338 WeakPolarHBondContact CE-O 3.29Å; K277-E338 PolarHBondContact NZ-O 3.46Å
278I89.8Confident89.5Confident0 Ų036.8 Ų36.80%020%0.203CC..Hα-helixtrans-65.1-43.7178.3-64.5160.5000111A235 L237 R274 I275 Q276 T281 A283 I286 F340A235-I278 HydrophobicContact CB-CG2 4.46Å; L237-I278 HydrophobicContact CD1-CD1 3.82Å; R274-I278 WeakPolarHBondContact O-CD1 3.49Å; R274-I278 WeakPolarHBondContact O-CG1 3.34Å; R274-I278 PolarHBondContact O-N 3.25Å; I275-I278 PolarHBondContact O-N 3.45Å; I275-I278 VanDerWaalsContact O-N 3.17Å; Q276-I278 VanDerWaalsContact C-N 3.35Å; Q276-I278 PolarHBondContact O-N 2.63Å; I278-T281 PolarHBondContact O-N 3.4Å; I278-A283 HydrophobicContact CG2-CB 3.89Å; I278-A283 WeakPolarHBondContact O-CB 3.37Å; I278-I286 HydrophobicContact CG2-CD1 4.03Å; I278-I286 HydrophobicContact CG2-CG1 4.32Å; I278-F340 HydrophobicContact CB-CD1 4.46Å; I278-F340 HydrophobicContact CG1-CB 4.39Å; I278-F340 HydrophobicContact CG1-CD1 4.43Å; I278-F340 HydrophobicContact CG1-CD2 4.25Å; I278-F340 HydrophobicContact CG1-CG 4.1Å; I278-F340 HydrophobicContact CG2-CD1 4.45Å; I278-F340 HydrophobicContact CG2-CE1 4.32Å
279L90.4Very high90Very high37 Ų3736.6 Ų36.619%0.19420%0.201CC..Hα-helixtrans-69.9-37.4-179.9-71.5171.3000112.5I275 Q276 T281 G282 I286 F300 A303 A305I275-L279 HydrophobicContact CG2-CD1 3.68Å; I275-L279 HydrophobicContact CG2-CG 4.3Å; I275-L279 WeakPolarHBondContact O-CG 3.41Å; I275-L279 PolarHBondContact O-N 3.05Å; Q276-L279 PolarHBondContact O-N 3Å; L279-T281 PolarHBondContact O-N 3.11Å; L279-G282 WeakPolarHBondContact O-CA 3.35Å; L279-G282 PolarHBondContact O-N 2.75Å; L279-I286 HydrophobicContact CD2-CD1 4.35Å; L279-F300 HydrophobicContact CD1-CD1 4.11Å; L279-F300 HydrophobicContact CD1-CE1 4.28Å; L279-F300 HydrophobicContact CD2-CD1 4.03Å; L279-F300 HydrophobicContact CD2-CE1 4.27Å; L279-F300 HydrophobicContact CG-CD1 4.28Å; L279-F300 HydrophobicContact CG-CE1 4.21Å; L279-A303 HydrophobicContact CD1-CB 3.68Å; L279-A303 HydrophobicContact CD2-CB 3.94Å; L279-A303 HydrophobicContact CG-CB 4.38Å; L279-A305 HydrophobicContact CD2-CB 3.64Å
280A89.8Confident90.2Very high89 Ų8934.3 Ų34.374%0.73619%0.191SC*.Hα-helixtrans-61.1-30.1178.200000112.5Q276 G282Q276-A280 WeakPolarHBondContact O-CB 3.37Å; Q276-A280 PolarHBondContact O-N 3.4Å; A280-G282 PolarHBondContact O-N 3.44Å
281T87.6Confident90.3Very high31 Ų3132 Ų3219%0.1918%0.182CC..THydrogen-bonded Turntrans-70.7-11.1174.4-46.60000112.7K277 I278 L279 F340 A342 L345K277-T281 PolarHBondContact O-N 2.9Å; K277-T281 PolarHBondContact O-OG1 3.13Å; I278-T281 PolarHBondContact O-N 3.4Å; L279-T281 PolarHBondContact O-N 3.11Å; T281-F340 HydrophobicContact CG2-CD1 3.86Å; T281-F340 HydrophobicContact CG2-CE1 4.1Å; T281-F340 WeakPolarHBondContact CG2-O 3.33Å; T281-F340 WeakPolarHBondContact OG1-CD1 3.21Å; T281-F340 PolarHBondContact OG1-O 2.94Å; T281-A342 HydrophobicContact CG2-CB 3.63Å; T281-A342 VanDerWaalsContact CG2-N 3.28Å; T281-L345 HydrophobicContact CG2-CD1 3.86Å
282G88.4Confident90.6Very high25 Ų2531.9 Ų31.926%0.25818%0.18SC..THydrogen-bonded Turntrans86.627.4179.300000113.7K233 L279 A280 N284K233-G282 WeakPolarHBondContact CD-O 3.31Å; L279-G282 WeakPolarHBondContact O-CA 3.35Å; L279-G282 PolarHBondContact O-N 2.75Å; A280-G282 PolarHBondContact O-N 3.44Å; G282-N284 PolarHBondContact O-N 3.43Å
283A91.8Very high90.7Very high2 Ų230.7 Ų30.72%0.01718%0.177CC..  trans-68.4122.1173.200000110.2A235 I278 I286 L345A235-A283 HydrophobicContact CB-CB 4.22Å; I278-A283 HydrophobicContact CG2-CB 3.89Å; I278-A283 WeakPolarHBondContact O-CB 3.37Å; A283-I286 HydrophobicContact CB-CG1 4.41Å; A283-L345 HydrophobicContact CB-CD1 4.49Å; A283-L345 HydrophobicContact CB-CD2 3.75Å
284N92.8Very high90.7Very high63 Ų6332.5 Ų32.534%0.33719%0.19SC..  trans-100.6-26.8179.6-67.5-13.8000112.2I229 K233 G282 A305 M306I229-N284 WeakPolarHBondContact CD1-O 3.25Å; I229-N284 HydrophobicContact CG2-CB 3.93Å; K233-N284 PolarHBondContact O-N 3.48Å; G282-N284 PolarHBondContact O-N 3.43Å; N284-A305 WeakPolarHBondContact O-CA 3.15Å; N284-M306 PolarHBondContact O-N 3.06Å
285V94.4Very high90.6Very high0 Ų035.3 Ų35.30%021%0.205CC..EExtended strand (participates in β ladder)trans-125.5127.7179179.30000108.6I229 A232 K233 I234 A235 L287 M306 V351I229-V285 HydrophobicContact CB-CG2 4.48Å; I229-V285 HydrophobicContact CD1-CG2 3.61Å; I229-V285 HydrophobicContact CG2-CG2 4.43Å; A232-V285 HydrophobicContact CB-CG2 3.94Å; K233-V285 PolarHBondContact O-N 3.33Å; I234-V285 CarbonylContact C-O 3.6Å; I234-V285 WeakPolarHBondContact CA-O 3.47Å; I234-V285 HydrophobicContact CG1-CB 4.18Å; I234-V285 HydrophobicContact CG1-CG1 4.45Å; I234-V285 HydrophobicContact CG2-CG1 4.36Å; A235-V285 PolarHBondContact N-O 3.27Å; V285-L287 HydrophobicContact CG1-CD2 4.18Å; V285-L287 HydrophobicContact CG1-CG 4.35Å; V285-M306 CarbonylContact C-O 3.53Å; V285-M306 WeakPolarHBondContact CA-O 3.42Å; V285-M306 HydrophobicContact CG1-SD 4.39Å; V285-M306 HydrophobicContact CG2-CB 4.43Å; V285-M306 HydrophobicContact CG2-SD 4.39Å; V285-V351 HydrophobicContact CG1-CG1 4.31Å; V285-V351 HydrophobicContact CG2-CB 3.96Å; V285-V351 HydrophobicContact CG2-CG1 4.12Å; V285-V351 HydrophobicContact CG2-CG2 4.05Å
286I94.3Very high90.6Very high0 Ų035.3 Ų35.30%021%0.206CC..EExtended strand (participates in β ladder)trans-124.5117-175.5-58.7166.5000108A235 L237 I278 L279 A283 F300 M306 A307 V308A235-I286 HydrophobicContact CB-CG1 4.33Å; L237-I286 HydrophobicContact CD1-CG2 3.67Å; L237-I286 HydrophobicContact CG-CG2 4.4Å; I278-I286 HydrophobicContact CG2-CD1 4.03Å; I278-I286 HydrophobicContact CG2-CG1 4.32Å; L279-I286 HydrophobicContact CD2-CD1 4.35Å; A283-I286 HydrophobicContact CB-CG1 4.41Å; I286-F300 HydrophobicContact CD1-CD1 3.53Å; I286-F300 HydrophobicContact CD1-CE1 3.04Å; I286-F300 HydrophobicContact CD1-CG 4.47Å; I286-F300 HydrophobicContact CD1-CZ 3.64Å; I286-F300 HydrophobicContact CG1-CE1 4.48Å; I286-M306 PolarHBondContact N-O 2.97Å; I286-A307 CarbonylContact O-C 3.55Å; I286-A307 WeakPolarHBondContact O-CA 3.18Å; I286-V308 PolarHBondContact O-N 3.46Å
287L94.9Very high90.6Very high0 Ų030.4 Ų30.40%018%0.183CC..EExtended strand (participates in β ladder)trans-110.1116.5179.9-58.7-179.9000109L216 I234 A235 L237 V285 V308 V311 L316 I319 I364L216-L287 HydrophobicContact CD2-CD2 4.27Å; I234-L287 HydrophobicContact CG2-CD1 3.74Å; I234-L287 HydrophobicContact CG2-CG 4.05Å; A235-L287 PolarHBondContact O-N 3.13Å; L237-L287 PolarHBondContact N-O 3.01Å; V285-L287 HydrophobicContact CG1-CD2 4.18Å; V285-L287 HydrophobicContact CG1-CG 4.35Å; L287-V308 HydrophobicContact CD2-CB 3.69Å; L287-V308 HydrophobicContact CD2-CG1 4.39Å; L287-V308 HydrophobicContact CD2-CG2 3.55Å; L287-V311 HydrophobicContact CB-CG2 4.38Å; L287-V311 HydrophobicContact CD2-CG2 4.48Å; L287-L316 HydrophobicContact CB-CD1 3.49Å; L287-L316 VanDerWaalsContact CB-CD1 3.49Å; L287-L316 HydrophobicContact CD1-CD1 4.09Å; L287-L316 HydrophobicContact CG-CD1 4.46Å; L287-I319 HydrophobicContact CD1-CD1 4.04Å; L287-I319 HydrophobicContact CD1-CG2 3.81Å; L287-I364 HydrophobicContact CD1-CD1 4.23Å
288T93.8Very high90.7Very high0 Ų032.5 Ų32.50%019%0.192CC..EExtended strand (participates in β ladder)trans-119.5129.4-174.7-55.10000110.8L237 F239 G290 I292 V308 R309 R310 V311L237-T288 HydrophobicContact CB-CG2 4.46Å; L237-T288 WeakPolarHBondContact O-CA 3.4Å; F239-T288 WeakPolarHBondContact O-CG2 3.43Å; T288-G290 VanDerWaalsContact C-N 3.33Å; T288-I292 HydrophobicContact CG2-CG1 4.42Å; T288-V308 PolarHBondContact N-O 3.09Å; T288-R309 CarbonylContact O-C 3.56Å; T288-R310 PolarHBondContact O-N 3.1Å; T288-R310 VanDerWaalsContact O-N 3.07Å; T288-V311 PolarHBondContact O-N 2.96Å
289T93.3Very high90.7Very high30 Ų3035.1 Ų35.118%0.18420%0.202CC..SBendtrans-70.4-33.3173.761.80000112.2L237 D238 R310 V311 K313 L316L237-T289 PolarHBondContact O-N 3.13Å; D238-T289 VanDerWaalsContact CA-OG1 3.32Å; D238-T289 WeakPolarHBondContact CA-OG1 3.43Å; D238-T289 HydrophobicContact CB-CG2 4.39Å; D238-T289 WeakPolarHBondContact OD1-CB 3.45Å; D238-T289 VanDerWaalsContact OD1-CG2 3.24Å; D238-T289 WeakPolarHBondContact OD1-CG2 3.45Å; D238-T289 PolarHBondContact OD1-OG1 2.93Å; T289-R310 WeakPolarHBondContact O-CA 3.35Å; T289-V311 WeakPolarHBondContact CA-O 3.17Å; T289-K313 HydrophobicContact CG2-CB 4.19Å; T289-K313 HydrophobicContact CG2-CG 4.48Å; T289-L316 HydrophobicContact CG2-CB 4.41Å; T289-L316 HydrophobicContact CG2-CD2 3.39Å
290G89.6Confident90.8Very high11 Ų1133.3 Ų33.311%0.11319%0.193CC..SBendtrans-77.3-176.8176.400000114.4S240 T288 R310S240-G290 VanDerWaalsContact OG-CA 3.26Å; S240-G290 WeakPolarHBondContact OG-CA 3.49Å; T288-G290 VanDerWaalsContact C-N 3.33Å; G290-R310 PolarHBondContact O-N 3.43Å
291G89.3Confident90.9Very high10 Ų1031.3 Ų31.310%0.10317%0.171CC..  trans-76.2155.3169.700000111.9S240 L241S240-G291 CarbonylContact C-O 3.46Å; S240-G291 WeakPolarHBondContact CA-O 3.31Å; S240-G291 WeakPolarHBondContact CB-O 3.26Å; S240-G291 PolarHBondContact OG-N 2.87Å; L241-G291 PolarHBondContact N-O 3.09Å
292I90.8Very high91.1Very high7 Ų737.1 Ų37.14%0.03620%0.196CC..BIsolated β-bridgetrans-121.9126168-52.7177000106.6L241 T288 C296 L297 F300 A307 R309L241-I292 HydrophobicContact CB-CG1 4.32Å; L241-I292 HydrophobicContact CB-CG2 4.13Å; L241-I292 WeakPolarHBondContact O-CA 3.33Å; T288-I292 HydrophobicContact CG2-CG1 4.42Å; I292-C296 HydrophobicContact CG2-CB 3.81Å; I292-L297 HydrophobicContact CB-CD2 4.18Å; I292-L297 HydrophobicContact CB-CG 4.46Å; I292-L297 HydrophobicContact CG2-CD2 3.71Å; I292-L297 HydrophobicContact CG2-CG 3.85Å; I292-F300 HydrophobicContact CG2-CE2 4.23Å; I292-A307 HydrophobicContact CD1-CB 3.93Å; I292-R309 HydrophobicContact CB-CB 4.23Å; I292-R309 HydrophobicContact CD1-CB 4.08Å; I292-R309 HydrophobicContact CG1-CB 3.87Å
293D90.3Very high91.1Very high44 Ų4438.8 Ų38.824%0.23521%0.207CC..  trans-74.2151.5176.8-78.9-6.3000111.4L241 Q242 K243 M295 C296 L297L241-D293 PolarHBondContact O-N 3.17Å; Q242-D293 VanDerWaalsContact CA-OD2 3.25Å; Q242-D293 WeakPolarHBondContact CA-OD2 3.48Å; Q242-D293 WeakPolarHBondContact CB-OD2 3.34Å; Q242-D293 VanDerWaalsContact CG-OD1 3.26Å; Q242-D293 WeakPolarHBondContact CG-OD1 3.36Å; Q242-D293 PolarHBondContact NE2-OD1 3.2Å; K243-D293 PolarHBondContact N-OD2 3.16Å; D293-M295 VanDerWaalsContact C-N 3.25Å; D293-M295 PolarHBondContact O-N 2.62Å; D293-C296 WeakPolarHBondContact O-CA 3.41Å; D293-C296 VanDerWaalsContact O-CB 3.29Å; D293-C296 WeakPolarHBondContact O-CB 3.44Å; D293-C296 PolarHBondContact O-N 3.16Å; D293-L297 PolarHBondContact O-N 2.97Å
294D87.7Confident91Very high112 Ų11240.5 Ų40.560%0.59923%0.226SC*.Hα-helixtrans-61.9-31.1-176-61.8-22.5000113.5C296 L297 K298 R309D294-C296 VanDerWaalsContact C-N 3.31Å; D294-C296 PolarHBondContact O-N 2.68Å; D294-L297 PolarHBondContact O-N 3.45Å; D294-K298 PolarHBondContact O-N 3Å; D294-R309 IonicContact OD1-NH1 2.81Å
295M86.3Confident90.9Very high97 Ų9737.6 Ų37.648%0.47821%0.21SC..Hα-helixtrans-65.7-35.8173.6-67.9-62.1-7300112D293 K298D293-M295 VanDerWaalsContact C-N 3.25Å; D293-M295 PolarHBondContact O-N 2.62Å; M295-K298 HydrophobicContact SD-CD 4.38Å
296C88.5Confident90.9Very high2 Ų237.6 Ų37.61%0.01421%0.21CC..Hα-helixtrans-71.9-36.6176-64.60000111.1I275 I292 D293 D294 K298 Y299 F300I275-C296 HydrophobicContact CD1-CB 3.45Å; I275-C296 VanDerWaalsContact CD1-CB 3.45Å; I275-C296 VanDerWaalsContact CD1-SG 3.58Å; I292-C296 HydrophobicContact CG2-CB 3.81Å; D293-C296 WeakPolarHBondContact O-CA 3.41Å; D293-C296 VanDerWaalsContact O-CB 3.29Å; D293-C296 WeakPolarHBondContact O-CB 3.44Å; D293-C296 PolarHBondContact O-N 3.16Å; D294-C296 VanDerWaalsContact C-N 3.31Å; D294-C296 PolarHBondContact O-N 2.68Å; C296-K298 VanDerWaalsContact C-N 3.27Å; C296-K298 PolarHBondContact O-N 3.19Å; C296-Y299 PolarHBondContact O-N 3.13Å; C296-F300 WeakPolarHBondContact O-CD2 3.49Å; C296-F300 PolarHBondContact O-N 3.23Å
297L90.7Very high90.8Very high6 Ų637.6 Ų37.63%0.03121%0.21CC..Hα-helixtrans-60.4-35.1176.2-69.3173.7000112.5G221 M225 I292 D293 D294 Y299 F300 V301 A307G221-L297 WeakPolarHBondContact O-CD1 3.4Å; M225-L297 HydrophobicContact CE-CB 4.07Å; M225-L297 HydrophobicContact CE-CD2 3.49Å; M225-L297 VanDerWaalsContact CE-CD2 3.49Å; M225-L297 HydrophobicContact CE-CG 4.38Å; M225-L297 WeakPolarHBondContact CE-O 3.28Å; I292-L297 HydrophobicContact CB-CD2 4.18Å; I292-L297 HydrophobicContact CB-CG 4.46Å; I292-L297 HydrophobicContact CG2-CD2 3.71Å; I292-L297 HydrophobicContact CG2-CG 3.85Å; D293-L297 PolarHBondContact O-N 2.97Å; D294-L297 PolarHBondContact O-N 3.45Å; L297-Y299 VanDerWaalsContact C-N 3.34Å; L297-Y299 PolarHBondContact O-N 3.25Å; L297-F300 PolarHBondContact O-N 3.07Å; L297-V301 WeakPolarHBondContact O-CG2 3.23Å; L297-V301 PolarHBondContact O-N 2.9Å; L297-A307 HydrophobicContact CD2-CB 4.24Å
298K90.5Very high90.8Very high116 Ų11637.6 Ų37.650%0.50421%0.21SC..Hα-helixtrans-58.6-44.2176.4-70.2178-1781790112.3D294 M295 C296 F300 V301 E302D294-K298 PolarHBondContact O-N 3Å; M295-K298 HydrophobicContact SD-CD 4.38Å; C296-K298 VanDerWaalsContact C-N 3.27Å; C296-K298 PolarHBondContact O-N 3.19Å; K298-F300 VanDerWaalsContact C-N 3.27Å; K298-F300 PolarHBondContact O-N 3.35Å; K298-V301 PolarHBondContact O-N 3.43Å; K298-V301 VanDerWaalsContact O-N 3.14Å; K298-E302 WeakPolarHBondContact O-CG 3.36Å; K298-E302 PolarHBondContact O-N 3.37Å
299Y90.3Very high90.7Very high55 Ų5542.4 Ų42.422%0.21623%0.228CC..Hα-helixtrans-63.3-34.7178.1-58-44000112.5K272 I275 C296 L297 A303K272-Y299 HydrophobicContact CB-CE2 3.91Å; K272-Y299 HydrophobicContact CD-CE1 4.31Å; K272-Y299 HydrophobicContact CD-CE2 4.22Å; K272-Y299 HydrophobicContact CG-CD2 4.25Å; K272-Y299 HydrophobicContact CG-CE1 4.4Å; K272-Y299 HydrophobicContact CG-CE2 3.72Å; I275-Y299 HydrophobicContact CD1-CD2 4.17Å; C296-Y299 PolarHBondContact O-N 3.13Å; L297-Y299 VanDerWaalsContact C-N 3.34Å; L297-Y299 PolarHBondContact O-N 3.25Å; Y299-A303 WeakPolarHBondContact O-CB 3.39Å; Y299-A303 PolarHBondContact O-N 3.28Å; Y299-A303 VanDerWaalsContact O-N 3.12Å
300F91.9Very high90.6Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-70-38.1173.8-66.5-49.2000112.7M225 L241 I275 L279 I286 I292 C296 L297 K298 A303 G304 A305 A307M225-F300 HydrophobicContact CE-CB 3.63Å; L241-F300 HydrophobicContact CD1-CE2 3.76Å; L241-F300 HydrophobicContact CD1-CZ 3.63Å; I275-F300 HydrophobicContact CB-CE1 4.45Å; I275-F300 HydrophobicContact CB-CZ 4.36Å; I275-F300 HydrophobicContact CD1-CE2 4.43Å; I275-F300 HydrophobicContact CD1-CZ 4.34Å; I275-F300 HydrophobicContact CG1-CE1 4.44Å; I275-F300 HydrophobicContact CG1-CE2 4.43Å; I275-F300 HydrophobicContact CG1-CZ 3.87Å; I275-F300 HydrophobicContact CG2-CD1 4.05Å; I275-F300 HydrophobicContact CG2-CE1 3.44Å; I275-F300 VanDerWaalsContact CG2-CE1 3.44Å; I275-F300 HydrophobicContact CG2-CZ 3.74Å; L279-F300 HydrophobicContact CD1-CD1 4.11Å; L279-F300 HydrophobicContact CD1-CE1 4.28Å; L279-F300 HydrophobicContact CD2-CD1 4.03Å; L279-F300 HydrophobicContact CD2-CE1 4.27Å; L279-F300 HydrophobicContact CG-CD1 4.28Å; L279-F300 HydrophobicContact CG-CE1 4.21Å; I286-F300 HydrophobicContact CD1-CD1 3.53Å; I286-F300 HydrophobicContact CD1-CE1 3.04Å; I286-F300 HydrophobicContact CD1-CG 4.47Å; I286-F300 HydrophobicContact CD1-CZ 3.64Å; I286-F300 HydrophobicContact CG1-CE1 4.48Å; I292-F300 HydrophobicContact CG2-CE2 4.23Å; C296-F300 WeakPolarHBondContact O-CD2 3.49Å; C296-F300 PolarHBondContact O-N 3.23Å; L297-F300 PolarHBondContact O-N 3.07Å; K298-F300 VanDerWaalsContact C-N 3.27Å; K298-F300 PolarHBondContact O-N 3.35Å; F300-A303 PolarHBondContact O-N 2.65Å; F300-G304 PolarHBondContact O-N 3.28Å; F300-G304 VanDerWaalsContact O-N 3.1Å; F300-A305 HydrophobicContact CD1-CB 4.31Å; F300-A305 PolarHBondContact O-N 3.37Å; F300-A307 HydrophobicContact CB-CB 4.27Å; F300-A307 HydrophobicContact CD2-CB 3.57Å; F300-A307 HydrophobicContact CE2-CB 4.05Å; F300-A307 HydrophobicContact CG-CB 3.97Å
301V92.8Very high90.8Very high47 Ų4749.7 Ų49.729%0.28525%0.25SC..Hα-helixtrans-63.6-47.4174.9172.10000111M225 L297 K298 A303 G304M225-V301 HydrophobicContact CE-CG2 3.92Å; M225-V301 HydrophobicContact CG-CG2 3.64Å; L297-V301 WeakPolarHBondContact O-CG2 3.23Å; L297-V301 PolarHBondContact O-N 2.9Å; K298-V301 PolarHBondContact O-N 3.43Å; K298-V301 VanDerWaalsContact O-N 3.14Å; V301-A303 VanDerWaalsContact C-N 3.28Å; V301-A303 PolarHBondContact O-N 2.94Å; V301-G304 PolarHBondContact O-N 3.06Å
302E90.4Very high90.9Very high153 Ų15353.7 Ų53.772%0.71527%0.268SS*.Hα-helixtrans-61.2-37178.3-72.2171.3-170.900112.4K298 G304K298-E302 WeakPolarHBondContact O-CG 3.36Å; K298-E302 PolarHBondContact O-N 3.37Å; E302-G304 VanDerWaalsContact C-N 3.29Å; E302-G304 PolarHBondContact O-N 2.63Å
303A88.8Confident90.9Very high59 Ų5958.3 Ų58.349%0.48829%0.288SS..THydrogen-bonded Turntrans-79.3-8.1176.200000113.9L279 Y299 F300 V301 A305L279-A303 HydrophobicContact CD1-CB 3.68Å; L279-A303 HydrophobicContact CD2-CB 3.94Å; L279-A303 HydrophobicContact CG-CB 4.38Å; Y299-A303 WeakPolarHBondContact O-CB 3.39Å; Y299-A303 PolarHBondContact O-N 3.28Å; Y299-A303 VanDerWaalsContact O-N 3.12Å; F300-A303 PolarHBondContact O-N 2.65Å; V301-A303 VanDerWaalsContact C-N 3.28Å; V301-A303 PolarHBondContact O-N 2.94Å; A303-A305 VanDerWaalsContact C-N 3.32Å
304G89.9Confident90.9Very high39 Ų3963.7 Ų63.740%0.40231%0.305SS..THydrogen-bonded Turntrans67.429.7-174.500000113.8P226 F300 V301 E302P226-G304 WeakPolarHBondContact CG-O 3.47Å; F300-G304 PolarHBondContact O-N 3.28Å; F300-G304 VanDerWaalsContact O-N 3.1Å; V301-G304 PolarHBondContact O-N 3.06Å; E302-G304 VanDerWaalsContact C-N 3.29Å; E302-G304 PolarHBondContact O-N 2.63Å
305A91.2Very high91Very high2 Ų258.8 Ų58.82%0.01728%0.279CS..  trans-99.7141.2177.400000111.5L279 N284 F300 A303L279-A305 HydrophobicContact CD2-CB 3.64Å; N284-A305 WeakPolarHBondContact O-CA 3.15Å; F300-A305 HydrophobicContact CD1-CB 4.31Å; F300-A305 PolarHBondContact O-N 3.37Å; A303-A305 VanDerWaalsContact C-N 3.32Å
306M93.6Very high91.3Very high0 Ų054.2 Ų54.20%026%0.256CS..EExtended strand (participates in β ladder)trans-86.2119.3174.6-179.8-169.8-162.200109.6V220 I229 N284 V285 I286 V351 Q353 I362V220-M306 HydrophobicContact CG1-CE 3.32Å; V220-M306 HydrophobicContact CG1-CG 3.93Å; V220-M306 HydrophobicContact CG1-SD 4.45Å; I229-M306 HydrophobicContact CD1-CB 3.31Å; I229-M306 HydrophobicContact CD1-CG 4.34Å; I229-M306 HydrophobicContact CD1-SD 4.18Å; N284-M306 PolarHBondContact O-N 3.06Å; V285-M306 CarbonylContact C-O 3.53Å; V285-M306 WeakPolarHBondContact CA-O 3.42Å; V285-M306 HydrophobicContact CG1-SD 4.39Å; V285-M306 HydrophobicContact CG2-CB 4.43Å; V285-M306 HydrophobicContact CG2-SD 4.39Å; I286-M306 PolarHBondContact N-O 2.97Å; M306-V351 HydrophobicContact CE-CG1 4.36Å; M306-V351 HydrophobicContact SD-CG1 3.74Å; M306-Q353 HydrophobicContact CE-CB 4.22Å; M306-I362 HydrophobicContact CE-CB 4.41Å; M306-I362 HydrophobicContact CE-CD1 3.56Å; M306-I362 HydrophobicContact CE-CG1 3.62Å; M306-I362 HydrophobicContact CE-CG2 3.92Å
307A93.4Very high91.4Very high0 Ų059.2 Ų59.20%028%0.278CS..EExtended strand (participates in β ladder)trans-112136.8174.600000111.1G221 M225 I286 I292 L297 F300G221-A307 PolarHBondContact N-O 3.01Å; M225-A307 HydrophobicContact CE-CB 3.9Å; M225-A307 HydrophobicContact SD-CB 4.04Å; M225-A307 PolarHBondContact SD-N 3.14Å; M225-A307 VanDerWaalsContact SD-N 3.38Å; I286-A307 CarbonylContact O-C 3.55Å; I286-A307 WeakPolarHBondContact O-CA 3.18Å; I292-A307 HydrophobicContact CD1-CB 3.93Å; L297-A307 HydrophobicContact CD2-CB 4.24Å; F300-A307 HydrophobicContact CB-CB 4.27Å; F300-A307 HydrophobicContact CD2-CB 3.57Å; F300-A307 HydrophobicContact CE2-CB 4.05Å; F300-A307 HydrophobicContact CG-CB 3.97Å
308V93.5Very high91.2Very high0 Ų062.1 Ų62.10%029%0.288CS..EExtended strand (participates in β ladder)trans-123.3127.8178.3-170.40000108.4L216 C218 I286 L287 T288 V311 I362L216-V308 HydrophobicContact CD2-CG1 4.35Å; C218-V308 HydrophobicContact CB-CG1 3.49Å; C218-V308 VanDerWaalsContact CB-CG1 3.49Å; I286-V308 PolarHBondContact O-N 3.46Å; L287-V308 HydrophobicContact CD2-CB 3.69Å; L287-V308 HydrophobicContact CD2-CG1 4.39Å; L287-V308 HydrophobicContact CD2-CG2 3.55Å; T288-V308 PolarHBondContact N-O 3.09Å; V308-V311 HydrophobicContact CB-CG2 4.09Å; V308-V311 HydrophobicContact CG1-CG2 3.59Å; V308-I362 HydrophobicContact CB-CD1 4.38Å; V308-I362 HydrophobicContact CG1-CD1 4Å; V308-I362 HydrophobicContact CG2-CD1 3.41Å; V308-I362 VanDerWaalsContact CG2-CD1 3.41Å
309R92.4Very high91.2Very high100 Ų10056.6 Ų56.638%0.37726%0.264SS..  trans-104.7155.1-178.864.2-173.1-179.2-165.1-1.8110.8T288 I292 D294 V311T288-R309 CarbonylContact O-C 3.56Å; I292-R309 HydrophobicContact CB-CB 4.23Å; I292-R309 HydrophobicContact CD1-CB 4.08Å; I292-R309 HydrophobicContact CG1-CB 3.87Å; D294-R309 IonicContact OD1-NH1 2.81Å; R309-V311 VanDerWaalsContact C-N 3.3Å; R309-V311 PolarHBondContact O-N 2.97Å
310R90.9Very high91.3Very high191 Ų19154.1 Ų54.172%0.72126%0.255SS*.SBendtrans56.638.7174-58.5-176.1178.7177.9-0.2114.2T288 T289 G290T288-R310 PolarHBondContact O-N 3.1Å; T288-R310 VanDerWaalsContact O-N 3.07Å; T289-R310 WeakPolarHBondContact O-CA 3.35Å; G290-R310 PolarHBondContact O-N 3.43Å
311V92.8Very high91.1Very high4 Ų461 Ų612%0.02429%0.285CS..  trans-68.5134.8174.2-179.40000109.7L216 L287 T288 T289 V308 R309 K313 L316L216-V311 HydrophobicContact CD1-CG1 3.89Å; L216-V311 HydrophobicContact CD2-CG1 4.03Å; L216-V311 HydrophobicContact CD2-CG2 4.04Å; L287-V311 HydrophobicContact CB-CG2 4.38Å; L287-V311 HydrophobicContact CD2-CG2 4.48Å; T288-V311 PolarHBondContact O-N 2.96Å; T289-V311 WeakPolarHBondContact CA-O 3.17Å; V308-V311 HydrophobicContact CB-CG2 4.09Å; V308-V311 HydrophobicContact CG1-CG2 3.59Å; R309-V311 VanDerWaalsContact C-N 3.3Å; R309-V311 PolarHBondContact O-N 2.97Å; V311-K313 PolarHBondContact O-N 3.36Å; V311-L316 HydrophobicContact CG1-CB 4.21Å; V311-L316 HydrophobicContact CG1-CD1 4.42Å
312L91.8Very high90.9Very high93 Ų9358.8 Ų58.849%0.48727%0.272SS..  trans-60.1127174.6-68.7175.7000110.4R314 D315 L316L312-R314 HydrophobicContact CB-CG 4.18Å; L312-R314 PolarHBondContact O-N 2.89Å; L312-R314 VanDerWaalsContact O-N 3.12Å; L312-D315 HydrophobicContact CB-CB 4.41Å; L312-D315 WeakPolarHBondContact CB-OD2 3.43Å; L312-D315 WeakPolarHBondContact CD1-OD2 3.48Å; L312-D315 PolarHBondContact O-N 3.08Å; L312-L316 PolarHBondContact O-N 3.17Å
313K91.2Very high90.8Very high105 Ų10551.7 Ų51.746%0.45724%0.239SC..Hα-helixtrans-58-30.2-177.7-174.8163.8178.1161.40113.3D238 T289 V311 D315 K317D238-K313 IonicContact OD1-NZ 2.98Å; D238-K313 WeakPolarHBondContact OD2-CE 3.28Å; D238-K313 IonicContact OD2-NZ 3.23Å; D238-K313 PolarHBondContact OD2-NZ 2.99Å; T289-K313 HydrophobicContact CG2-CB 4.19Å; T289-K313 HydrophobicContact CG2-CG 4.48Å; V311-K313 PolarHBondContact O-N 3.36Å; K313-D315 VanDerWaalsContact C-N 3.35Å; K313-K317 WeakPolarHBondContact O-CG 3.22Å; K313-K317 PolarHBondContact O-N 3.42Å; K313-K317 VanDerWaalsContact O-N 3.12Å
314R90.1Very high90.8Very high157 Ų15750.7 Ų50.759%0.59223%0.234SC*.Hα-helixtrans-63.6-40.2174.571-176.5-176.5-177.7-0.8112L312 R318L312-R314 HydrophobicContact CB-CG 4.18Å; L312-R314 PolarHBondContact O-N 2.89Å; L312-R314 VanDerWaalsContact O-N 3.12Å; R314-R318 WeakPolarHBondContact O-CG 3.45Å; R314-R318 PolarHBondContact O-N 3.42Å
315D90.3Very high90.9Very high8 Ų849.3 Ų49.34%0.04322%0.22CC..Hα-helixtrans-77.7-41.3-178.4-64.1-39.3000110.2Y214 L216 L312 K313 K317 R318 I319Y214-D315 HydrophobicContact CE1-CB 3.94Å; Y214-D315 PolarHBondContact OH-OD1 2.83Å; L216-D315 HydrophobicContact CD1-CB 3.98Å; L312-D315 HydrophobicContact CB-CB 4.41Å; L312-D315 WeakPolarHBondContact CB-OD2 3.43Å; L312-D315 WeakPolarHBondContact CD1-OD2 3.48Å; L312-D315 PolarHBondContact O-N 3.08Å; K313-D315 VanDerWaalsContact C-N 3.35Å; D315-K317 VanDerWaalsContact C-N 3.25Å; D315-K317 PolarHBondContact O-N 2.82Å; D315-R318 PolarHBondContact O-N 3.49Å; D315-R318 IonicContact OD1-NH1 2.81Å; D315-I319 WeakPolarHBondContact O-CG1 3.35Å; D315-I319 PolarHBondContact O-N 3.17Å
316L91.9Very high90.9Very high1 Ų152 Ų521%0.00524%0.236CC..Hα-helixtrans-56.9-40.7174.2-16768.7000111.8C236 L287 T289 V311 L312 R318 I319 A320 I327C236-L316 HydrophobicContact CB-CD1 3.75Å; C236-L316 HydrophobicContact CB-CD2 4.33Å; C236-L316 HydrophobicContact CB-CG 4.01Å; L287-L316 HydrophobicContact CB-CD1 3.49Å; L287-L316 VanDerWaalsContact CB-CD1 3.49Å; L287-L316 HydrophobicContact CD1-CD1 4.09Å; L287-L316 HydrophobicContact CG-CD1 4.46Å; T289-L316 HydrophobicContact CG2-CB 4.41Å; T289-L316 HydrophobicContact CG2-CD2 3.39Å; V311-L316 HydrophobicContact CG1-CB 4.21Å; V311-L316 HydrophobicContact CG1-CD1 4.42Å; L312-L316 PolarHBondContact O-N 3.17Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 3.21Å; L316-I319 PolarHBondContact O-N 3.24Å; L316-A320 VanDerWaalsContact O-CB 3.24Å; L316-A320 WeakPolarHBondContact O-CB 3.46Å; L316-A320 PolarHBondContact O-N 3.39Å; L316-I327 HydrophobicContact CD2-CG2 4.25Å
317K90.3Very high90.8Very high108 Ų10854.9 Ų54.947%0.4725%0.251SS..Hα-helixtrans-61.7-36.1174.7-78.1175.7177.8-174.70113.5K313 D315 K321 I327K313-K317 WeakPolarHBondContact O-CG 3.22Å; K313-K317 PolarHBondContact O-N 3.42Å; K313-K317 VanDerWaalsContact O-N 3.12Å; D315-K317 VanDerWaalsContact C-N 3.25Å; D315-K317 PolarHBondContact O-N 2.82Å; K317-K321 WeakPolarHBondContact O-CG 3.16Å; K317-K321 PolarHBondContact O-N 3.46Å; K317-I327 HydrophobicContact CB-CD1 4.03Å; K317-I327 HydrophobicContact CG-CD1 3.4Å; K317-I327 VanDerWaalsContact CG-CD1 3.4Å
318R88Confident90.6Very high66 Ų6656 Ų5625%0.24926%0.257CS..Hα-helixtrans-75.9-46179.1-68.8168.3-179171.41.5110.7N193 Y214 R314 D315 L316 A320 K321 A322N193-R318 PolarHBondContact O-NE 3.01Å; N193-R318 VanDerWaalsContact O-NE 3.17Å; N193-R318 PolarHBondContact O-NH2 3.14Å; Y214-R318 HydrophobicContact CD2-CB 4.41Å; Y214-R318 HydrophobicContact CE2-CB 3.69Å; Y214-R318 HydrophobicContact CE2-CG 4.43Å; Y214-R318 WeakPolarHBondContact OH-CD 3.3Å; Y214-R318 PolarHBondContact OH-NH1 3.36Å; Y214-R318 VanDerWaalsContact OH-NH1 3.12Å; R314-R318 WeakPolarHBondContact O-CG 3.45Å; R314-R318 PolarHBondContact O-N 3.42Å; D315-R318 PolarHBondContact O-N 3.49Å; D315-R318 IonicContact OD1-NH1 2.81Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 3.21Å; R318-A320 VanDerWaalsContact C-N 3.32Å; R318-A320 PolarHBondContact O-N 3.1Å; R318-K321 PolarHBondContact O-N 3.1Å; R318-A322 WeakPolarHBondContact O-CB 3.25Å; R318-A322 PolarHBondContact O-N 2.9Å
319I90.6Very high90.3Very high0 Ų060 Ų600%029%0.285CS..Hα-helixtrans-58.9-44.6176.4-64.9165.3000110.4Y214 L216 L287 D315 L316 K321 A322 S323 I364Y214-I319 HydrophobicContact CD1-CD1 3.69Å; Y214-I319 HydrophobicContact CD1-CG1 3.38Å; Y214-I319 HydrophobicContact CD2-CG1 4.47Å; Y214-I319 HydrophobicContact CE1-CD1 4.05Å; Y214-I319 HydrophobicContact CE1-CG1 3.89Å; Y214-I319 HydrophobicContact CG-CD1 4.48Å; Y214-I319 HydrophobicContact CG-CG1 3.71Å; L216-I319 HydrophobicContact CD1-CD1 4.36Å; L216-I319 HydrophobicContact CD2-CD1 4.4Å; L287-I319 HydrophobicContact CD1-CD1 4.04Å; L287-I319 HydrophobicContact CD1-CG2 3.81Å; D315-I319 WeakPolarHBondContact O-CG1 3.35Å; D315-I319 PolarHBondContact O-N 3.17Å; L316-I319 PolarHBondContact O-N 3.24Å; I319-K321 PolarHBondContact O-N 2.9Å; I319-A322 PolarHBondContact O-N 3.08Å; I319-S323 WeakPolarHBondContact O-CB 3.45Å; I319-S323 PolarHBondContact O-N 2.96Å; I319-S323 PolarHBondContact O-OG 3.47Å; I319-I364 HydrophobicContact CD1-CD1 3.93Å; I319-I364 HydrophobicContact CG1-CD1 4.12Å; I319-I364 HydrophobicContact CG2-CD1 3.6Å
320A91.3Very high89.9Confident3 Ų358.5 Ų58.53%0.02529%0.287CS..Hα-helixtrans-58.3-47.9177.800000111.3C236 L316 R318 A322 S323 G324 A325 I327C236-A320 HydrophobicContact CB-CB 4.32Å; L316-A320 VanDerWaalsContact O-CB 3.24Å; L316-A320 WeakPolarHBondContact O-CB 3.46Å; L316-A320 PolarHBondContact O-N 3.39Å; R318-A320 VanDerWaalsContact C-N 3.32Å; R318-A320 PolarHBondContact O-N 3.1Å; A320-A322 PolarHBondContact O-N 3.04Å; A320-S323 PolarHBondContact O-OG 2.74Å; A320-G324 CarbonylContact O-C 3.54Å; A320-G324 WeakPolarHBondContact O-CA 3.37Å; A320-G324 PolarHBondContact O-N 2.8Å; A320-A325 CarbonylContact C-O 3.52Å; A320-A325 HydrophobicContact CB-CB 4.25Å; A320-A325 WeakPolarHBondContact CB-O 3.43Å; A320-A325 PolarHBondContact O-N 2.94Å; A320-I327 HydrophobicContact CB-CD1 4.08Å; A320-I327 HydrophobicContact CB-CG1 3.54Å
321K88.2Confident89.3Confident144 Ų14449.5 Ų49.563%0.62625%0.253SS*.Hα-helixtrans-64.6-35.7175.6-71177.8179.7-175.70113.8K317 R318 I319K317-K321 WeakPolarHBondContact O-CG 3.16Å; K317-K321 PolarHBondContact O-N 3.46Å; R318-K321 PolarHBondContact O-N 3.1Å; I319-K321 PolarHBondContact O-N 2.9Å
322A87.4Confident88.7Confident2 Ų252 Ų522%0.01727%0.273CS..Hα-helixtrans-70.3-48.8-18000000111.7R318 I319 A320 T367 A369 R370 S372R318-A322 WeakPolarHBondContact O-CB 3.25Å; R318-A322 PolarHBondContact O-N 2.9Å; I319-A322 PolarHBondContact O-N 3.08Å; A320-A322 PolarHBondContact O-N 3.04Å; A322-T367 HydrophobicContact CB-CG2 4.07Å; A322-T367 VanDerWaalsContact O-CB 3.32Å; A322-T367 WeakPolarHBondContact O-CB 3.16Å; A322-A369 WeakPolarHBondContact O-CB 3.23Å; A322-A369 PolarHBondContact O-N 3.4Å; A322-R370 PolarHBondContact O-N 2.91Å; A322-S372 WeakPolarHBondContact CB-OG 3.46Å
323S89.4Confident88Confident3 Ų349.8 Ų49.82%0.02126%0.262CS..Hα-helixtrans-80.4-16.2-17961.80000114I319 A320 A325 G346 Q347I319-S323 WeakPolarHBondContact O-CB 3.45Å; I319-S323 PolarHBondContact O-N 2.96Å; I319-S323 PolarHBondContact O-OG 3.47Å; A320-S323 PolarHBondContact O-OG 2.74Å; S323-A325 PolarHBondContact OG-N 2.67Å; S323-G346 WeakPolarHBondContact O-CA 3.39Å; S323-Q347 PolarHBondContact O-N 3.05Å
324G89.1Confident87.1Confident38 Ų3853.8 Ų53.839%0.39229%0.288SS..THydrogen-bonded Turntrans83.78.2-173.800000114.2A320A320-G324 CarbonylContact O-C 3.54Å; A320-G324 WeakPolarHBondContact O-CA 3.37Å; A320-G324 PolarHBondContact O-N 2.8Å
325A91.8Very high86.3Confident11 Ų1154.2 Ų54.29%0.09130%0.296CS..PPolyproline II helixtrans-68.1154.3174.200000111.4C236 A320 S323 M344 G346C236-A325 HydrophobicContact CB-CB 4.33Å; A320-A325 CarbonylContact C-O 3.52Å; A320-A325 HydrophobicContact CB-CB 4.25Å; A320-A325 WeakPolarHBondContact CB-O 3.43Å; A320-A325 PolarHBondContact O-N 2.94Å; S323-A325 PolarHBondContact OG-N 2.67Å; A325-M344 WeakPolarHBondContact CA-O 3.27Å; A325-G346 VanDerWaalsContact CB-N 3.32Å
326T90.8Very high85.3Confident59 Ų5957 Ų5736%0.36233%0.327SS..PPolyproline II helixtrans-98144.2164.360.40000109M344T326-M344 HydrophobicContact CG2-SD 4.02Å; T326-M344 PolarHBondContact N-O 3.47Å; T326-M344 VanDerWaalsContact N-O 3.12Å; T326-M344 VanDerWaalsContact OG1-CA 3.27Å; T326-M344 WeakPolarHBondContact OG1-CA 3.39Å; T326-M344 VanDerWaalsContact OG1-CB 3.22Å; T326-M344 WeakPolarHBondContact OG1-CB 3.37Å; T326-M344 PolarHBondContact OG1-SD 2.9Å
327I91.8Very high84.6Confident60 Ų6063 Ų6331%0.30836%0.355SS..EExtended strand (participates in β ladder)trans-87.2120.4176.5-54.5170000107.5C236 D238 L316 K317 A320C236-I327 HydrophobicContact CB-CG1 4.35Å; C236-I327 WeakPolarHBondContact O-CA 3.27Å; D238-I327 HydrophobicContact CB-CG2 3.82Å; L316-I327 HydrophobicContact CD2-CG2 4.25Å; K317-I327 HydrophobicContact CB-CD1 4.03Å; K317-I327 HydrophobicContact CG-CD1 3.4Å; K317-I327 VanDerWaalsContact CG-CD1 3.4Å; A320-I327 HydrophobicContact CB-CD1 4.08Å; A320-I327 HydrophobicContact CB-CG1 3.54Å
328L88.9Confident83.9Confident24 Ų2460.9 Ų60.913%0.12635%0.347CS..EExtended strand (participates in β ladder)trans-96.9116.5176.3-65.6178.6000110.9C236 L237 D238 F239 L331 F340 M344C236-L328 PolarHBondContact O-N 3.17Å; L237-L328 HydrophobicContact CD2-CB 4.35Å; D238-L328 PolarHBondContact N-O 2.96Å; F239-L328 WeakPolarHBondContact CD1-O 3.42Å; F239-L328 HydrophobicContact CE1-CB 4.48Å; L328-L331 HydrophobicContact CD1-CD2 3.81Å; L328-F340 HydrophobicContact CD1-CD2 3.32Å; L328-F340 HydrophobicContact CD1-CE2 3.27Å; L328-F340 HydrophobicContact CG-CE2 4.48Å; L328-M344 HydrophobicContact CD1-CB 4.3Å; L328-M344 HydrophobicContact CD1-CG 4.26Å; L328-M344 HydrophobicContact CD2-CE 4.29Å; L328-M344 HydrophobicContact CD2-CG 4.27Å; L328-M344 HydrophobicContact CD2-SD 4.12Å
329S87.9Confident83.5Confident84 Ų8460 Ų6059%0.58735%0.349SS*.SBendtrans-79.4-28.916851.90000112.3
330T83.1Confident83Confident68 Ų6860.6 Ų60.642%0.41735%0.351SS..  trans-144.4158177-173.30000110A332T330-A332 VanDerWaalsContact C-N 3.34Å; T330-A332 HydrophobicContact CG2-CB 4.07Å; T330-A332 PolarHBondContact OG1-N 2.94Å
331L79.1Confident82.7Confident2 Ų264.7 Ų64.71%0.0137%0.37CS..  trans-92.65.9172.9-68.8-171.8000113.2F239 R274 L328 N333 E338 T339 F340F239-L331 HydrophobicContact CE1-CD2 4.17Å; F239-L331 HydrophobicContact CE1-CG 4.14Å; F239-L331 HydrophobicContact CZ-CD1 4.21Å; F239-L331 HydrophobicContact CZ-CD2 4.07Å; F239-L331 HydrophobicContact CZ-CG 3.87Å; R274-L331 HydrophobicContact CG-CD1 3.39Å; L328-L331 HydrophobicContact CD1-CD2 3.81Å; L331-N333 PolarHBondContact O-N 3.48Å; L331-E338 HydrophobicContact CB-CB 4.28Å; L331-E338 HydrophobicContact CB-CG 4.37Å; L331-E338 VanDerWaalsContact O-CA 3.26Å; L331-E338 WeakPolarHBondContact O-CA 3.48Å; L331-T339 PolarHBondContact O-N 2.91Å; L331-T339 VanDerWaalsContact O-N 3.17Å; L331-F340 HydrophobicContact CD2-CB 4.32Å; L331-F340 HydrophobicContact CD2-CD2 3.71Å; L331-F340 HydrophobicContact CD2-CG 4.46Å
332A80.1Confident82.5Confident55 Ų5561 Ų6146%0.45537%0.366SS..BIsolated β-bridgetrans-72126.9179.500000110.9T330T330-A332 VanDerWaalsContact C-N 3.34Å; T330-A332 HydrophobicContact CG2-CB 4.07Å; T330-A332 PolarHBondContact OG1-N 2.94Å
333N76.9Confident82.4Confident47 Ų4764.6 Ų64.625%0.25140%0.396SS..  trans-88.9171.2168.3-80.616.4000111.2L331 E335 G336 E337 T339 E341L331-N333 PolarHBondContact O-N 3.48Å; N333-E335 PolarHBondContact O-N 3.39Å; N333-E335 VanDerWaalsContact O-N 3.16Å; N333-G336 PolarHBondContact O-N 3.34Å; N333-E337 PolarHBondContact N-O 3.48Å; N333-T339 PolarHBondContact ND2-OG1 2.85Å; N333-E341 PolarHBondContact ND2-OE1 3.26Å
334L72.9Confident82.3Confident190 Ų19066.7 Ų66.7100%0.99541%0.406SS*.THydrogen-bonded Turntrans-59.8-23.8177-67.3172.9000113.1G336L334-G336 VanDerWaalsContact C-N 3.29Å
335E72.1Confident82.4Confident165 Ų16565.4 Ų65.477%0.77139%0.39SS*.THydrogen-bonded Turntrans-83.8-1.3178.6-63.1177.6167.900113.1N333 E337N333-E335 PolarHBondContact O-N 3.39Å; N333-E335 VanDerWaalsContact O-N 3.16Å; E335-E337 PolarHBondContact O-N 3Å
336G70Confident82.4Confident67 Ų6764.9 Ų64.969%0.69139%0.386SS*.SBendtrans80-2.2-179.200000114.6N333 L334N333-G336 PolarHBondContact O-N 3.34Å; L334-G336 VanDerWaalsContact C-N 3.29Å
337E76.3Confident82.5Confident127 Ų12766.7 Ų66.759%0.59339%0.39SS*.  trans-85.1148.5172.5-60.8-169.2175.800111.7N333 E335 T339N333-E337 PolarHBondContact N-O 3.48Å; E335-E337 PolarHBondContact O-N 3Å; E337-T339 HydrophobicContact CB-CG2 4.29Å; E337-T339 PolarHBondContact O-N 3.07Å
338E77.1Confident82.5Confident63 Ų6364 Ų6429%0.29438%0.377SS..BIsolated β-bridgetrans-84.7108.6170.5-70.3-168.5151.500109.9R274 K277 L331R274-E338 IonicContact CZ-OE1 3.37Å; R274-E338 IonicContact NH1-OE1 3.4Å; R274-E338 PolarHBondContact NH1-OE1 3.07Å; K277-E338 WeakPolarHBondContact CD-O 3.25Å; K277-E338 WeakPolarHBondContact CE-O 3.29Å; K277-E338 PolarHBondContact NZ-O 3.46Å; L331-E338 HydrophobicContact CB-CB 4.28Å; L331-E338 HydrophobicContact CB-CG 4.37Å; L331-E338 VanDerWaalsContact O-CA 3.26Å; L331-E338 WeakPolarHBondContact O-CA 3.48Å
339T79.4Confident82.6Confident47 Ų4767.7 Ų67.729%0.28839%0.394SS..  trans-131.9159.2172.488.80000111L331 N333 E337L331-T339 PolarHBondContact O-N 2.91Å; L331-T339 VanDerWaalsContact O-N 3.17Å; N333-T339 PolarHBondContact ND2-OG1 2.85Å; E337-T339 HydrophobicContact CB-CG2 4.29Å; E337-T339 PolarHBondContact O-N 3.07Å
340F79.7Confident82.8Confident14 Ų1465.1 Ų65.16%0.06137%0.372CS..  trans-127.6105.1177.2-175.4-96.7000109.5A235 L237 I278 T281 L328 L331 M344 L345A235-F340 HydrophobicContact CB-CZ 3.81Å; L237-F340 HydrophobicContact CD2-CE2 4.06Å; I278-F340 HydrophobicContact CB-CD1 4.46Å; I278-F340 HydrophobicContact CG1-CB 4.39Å; I278-F340 HydrophobicContact CG1-CD1 4.43Å; I278-F340 HydrophobicContact CG1-CD2 4.25Å; I278-F340 HydrophobicContact CG1-CG 4.1Å; I278-F340 HydrophobicContact CG2-CD1 4.45Å; I278-F340 HydrophobicContact CG2-CE1 4.32Å; T281-F340 HydrophobicContact CG2-CD1 3.86Å; T281-F340 HydrophobicContact CG2-CE1 4.1Å; T281-F340 WeakPolarHBondContact CG2-O 3.33Å; T281-F340 WeakPolarHBondContact OG1-CD1 3.21Å; T281-F340 PolarHBondContact OG1-O 2.94Å; L328-F340 HydrophobicContact CD1-CD2 3.32Å; L328-F340 HydrophobicContact CD1-CE2 3.27Å; L328-F340 HydrophobicContact CG-CE2 4.48Å; L331-F340 HydrophobicContact CD2-CB 4.32Å; L331-F340 HydrophobicContact CD2-CD2 3.71Å; L331-F340 HydrophobicContact CD2-CG 4.46Å; F340-M344 HydrophobicContact CE2-CB 4.32Å; F340-M344 HydrophobicContact CZ-CB 4.36Å; F340-L345 HydrophobicContact CE1-CD1 4.36Å; F340-L345 HydrophobicContact CE1-CD2 3.66Å; F340-L345 HydrophobicContact CE1-CG 3.88Å; F340-L345 HydrophobicContact CZ-CD2 3.73Å; F340-L345 HydrophobicContact CZ-CG 4.19Å
341E84.6Confident83.3Confident88 Ų8861.9 Ų61.941%0.41135%0.353SS..  trans-81.2145.2-174.7-65.2174.5-164.900112.4N333 A343 M344N333-E341 PolarHBondContact ND2-OE1 3.26Å; E341-A343 PolarHBondContact O-N 3.48Å; E341-M344 HydrophobicContact CB-CG 4.21Å; E341-M344 WeakPolarHBondContact O-CB 3.46Å; E341-M344 PolarHBondContact O-N 3.01Å
342A84.7Confident84.1Confident66 Ų6662.4 Ų62.455%0.54536%0.356SS..G310 helixtrans-64.3-22.9177.300000113.2T281 M344 L345T281-A342 HydrophobicContact CG2-CB 3.63Å; T281-A342 VanDerWaalsContact CG2-N 3.28Å; A342-M344 PolarHBondContact O-N 3.44Å; A342-L345 WeakPolarHBondContact O-CB 3Å; A342-L345 PolarHBondContact O-N 2.57Å
343A85.5Confident84.6Confident79 Ų7960.5 Ų60.565%0.65334%0.337SS*.G310 helixtrans-64-21.5174.900000113E341 L345E341-A343 PolarHBondContact O-N 3.48Å; A343-L345 VanDerWaalsContact C-N 3.3Å
344M85.6Confident85.3Confident46 Ų4661.3 Ų61.323%0.22734%0.34CS..G310 helixtrans-80.3-13.1180-54.4-59.8-173.300112.8A325 T326 L328 F340 E341 A342A325-M344 WeakPolarHBondContact CA-O 3.27Å; T326-M344 HydrophobicContact CG2-SD 4.02Å; T326-M344 PolarHBondContact N-O 3.47Å; T326-M344 VanDerWaalsContact N-O 3.12Å; T326-M344 VanDerWaalsContact OG1-CA 3.27Å; T326-M344 WeakPolarHBondContact OG1-CA 3.39Å; T326-M344 VanDerWaalsContact OG1-CB 3.22Å; T326-M344 WeakPolarHBondContact OG1-CB 3.37Å; T326-M344 PolarHBondContact OG1-SD 2.9Å; L328-M344 HydrophobicContact CD1-CB 4.3Å; L328-M344 HydrophobicContact CD1-CG 4.26Å; L328-M344 HydrophobicContact CD2-CE 4.29Å; L328-M344 HydrophobicContact CD2-CG 4.27Å; L328-M344 HydrophobicContact CD2-SD 4.12Å; F340-M344 HydrophobicContact CE2-CB 4.32Å; F340-M344 HydrophobicContact CZ-CB 4.36Å; E341-M344 HydrophobicContact CB-CG 4.21Å; E341-M344 WeakPolarHBondContact O-CB 3.46Å; E341-M344 PolarHBondContact O-N 3.01Å; A342-M344 PolarHBondContact O-N 3.44Å
345L91.8Very high86Confident12 Ų1260 Ų606%0.06332%0.322CS..  trans-80.5132-176.8-69.3171.7000112.2K233 A235 T281 A283 F340 A342 A343K233-L345 HydrophobicContact CB-CB 4.47Å; K233-L345 HydrophobicContact CB-CD1 4.17Å; K233-L345 HydrophobicContact CD-CD1 4.08Å; A235-L345 HydrophobicContact CB-CD2 3.77Å; T281-L345 HydrophobicContact CG2-CD1 3.86Å; A283-L345 HydrophobicContact CB-CD1 4.49Å; A283-L345 HydrophobicContact CB-CD2 3.75Å; F340-L345 HydrophobicContact CE1-CD1 4.36Å; F340-L345 HydrophobicContact CE1-CD2 3.66Å; F340-L345 HydrophobicContact CE1-CG 3.88Å; F340-L345 HydrophobicContact CZ-CD2 3.73Å; F340-L345 HydrophobicContact CZ-CG 4.19Å; A342-L345 WeakPolarHBondContact O-CB 3Å; A342-L345 PolarHBondContact O-N 2.57Å; A343-L345 VanDerWaalsContact C-N 3.3Å
346G91.9Very high86.7Confident0 Ų052.7 Ų52.70%029%0.288CS..EExtended strand (participates in β ladder)trans-78.6161.5167.700000112.1K233 I234 S323 A325K233-G346 CarbonylContact C-O 3.54Å; K233-G346 VanDerWaalsContact CA-O 3.31Å; K233-G346 WeakPolarHBondContact CA-O 3.45Å; I234-G346 PolarHBondContact N-O 3.28Å; I234-G346 PolarHBondContact O-N 2.97Å; S323-G346 WeakPolarHBondContact O-CA 3.39Å; A325-G346 VanDerWaalsContact CB-N 3.32Å
347Q92.1Very high87.3Confident96 Ų9651.1 Ų51.145%0.44927%0.266SS..EExtended strand (participates in β ladder)trans-125.3131.4-178.8-60.1177.316.900110.6S323 K368S323-Q347 PolarHBondContact O-N 3.05Å; Q347-K368 HydrophobicContact CB-CB 4.19Å; Q347-K368 HydrophobicContact CB-CD 3.92Å; Q347-K368 HydrophobicContact CB-CG 4.1Å; Q347-K368 PolarHBondContact O-N 3.41Å; Q347-K368 VanDerWaalsContact OE1-CD 3.32Å
348A91.9Very high87.7Confident3 Ų350.9 Ų50.93%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-138.6153.2170.900000110.3A232 I234 V351 I364 T367A232-A348 HydrophobicContact CB-CB 4.46Å; A232-A348 PolarHBondContact N-O 3.29Å; A232-A348 PolarHBondContact O-N 2.63Å; I234-A348 HydrophobicContact CD1-CB 3.72Å; A348-V351 HydrophobicContact CB-CG2 4.43Å; A348-I364 HydrophobicContact CB-CG2 3.67Å; A348-T367 HydrophobicContact CB-CG2 4.42Å
349E91.8Very high88.2Confident102 Ų10251 Ų5148%0.47727%0.271SS..EExtended strand (participates in β ladder)trans-68-50.3179.1-176.2179.7175.500111.7N231 K365 N366N231-E349 WeakPolarHBondContact CA-O 3.29Å; N231-E349 PolarHBondContact N-O 3.41Å; E349-K365 PolarHBondContact N-O 2.92Å; E349-N366 HydrophobicContact CB-CB 3.9Å; E349-N366 PolarHBondContact N-O 3.42Å; E349-N366 VanDerWaalsContact OE2-CB 3.3Å; E349-N366 WeakPolarHBondContact OE2-CB 3.16Å; E349-N366 PolarHBondContact OE2-ND2 3.43Å
350E92.6Very high88.7Confident31 Ų3151.2 Ų51.215%0.14527%0.269CS..EExtended strand (participates in β ladder)trans-142.7144.6173.964.6169.5-16000111.6R228 I229 K365R228-E350 IonicContact CZ-OE2 2.89Å; R228-E350 IonicContact NE-OE2 3.64Å; R228-E350 IonicContact NH2-OE2 3.06Å; R228-E350 PolarHBondContact NH2-OE2 3.44Å; I229-E350 WeakPolarHBondContact O-CA 2.94Å; E350-K365 HydrophobicContact CG-CB 3.92Å; E350-K365 HydrophobicContact CG-CD 4.39Å; E350-K365 HydrophobicContact CG-CG 4.33Å; E350-K365 PolarHBondContact O-N 3.49Å; E350-K365 VanDerWaalsContact OE1-CD 3.27Å; E350-K365 WeakPolarHBondContact OE1-CD 3.43Å; E350-K365 IonicContact OE1-NZ 2.76Å; E350-K365 PolarHBondContact OE1-NZ 3.46Å
351V93.8Very high89.3Confident0 Ų050.7 Ų50.70%027%0.267CS..EExtended strand (participates in β ladder)trans-118.9118.4166.7177.30000107.1I229 A232 I234 V285 M306 A348 I362 L363 I364I229-V351 PolarHBondContact N-O 3.27Å; I229-V351 PolarHBondContact O-N 3.05Å; A232-V351 HydrophobicContact CB-CB 4.07Å; A232-V351 HydrophobicContact CB-CG2 3.46Å; A232-V351 VanDerWaalsContact CB-CG2 3.46Å; I234-V351 HydrophobicContact CD1-CG2 4.2Å; I234-V351 HydrophobicContact CG1-CG2 4.42Å; V285-V351 HydrophobicContact CG1-CG1 4.31Å; V285-V351 HydrophobicContact CG2-CB 3.96Å; V285-V351 HydrophobicContact CG2-CG1 4.12Å; V285-V351 HydrophobicContact CG2-CG2 4.05Å; M306-V351 HydrophobicContact CE-CG1 4.36Å; M306-V351 HydrophobicContact SD-CG1 3.74Å; A348-V351 HydrophobicContact CB-CG2 4.43Å; V351-I362 HydrophobicContact CG1-CG2 3.73Å; V351-L363 WeakPolarHBondContact CA-O 3.46Å; V351-I364 HydrophobicContact CG1-CG1 4.38Å; V351-I364 HydrophobicContact CG2-CB 4.37Å; V351-I364 HydrophobicContact CG2-CG1 4.11Å; V351-I364 HydrophobicContact CG2-CG2 4.08Å
352V94.3Very high89.7Confident13 Ų1346.5 Ų46.58%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-129.6135.1-17663.10000109.9K227 R228 E354 L363K227-V352 WeakPolarHBondContact O-CA 3.35Å; R228-V352 HydrophobicContact CB-CG2 4.25Å; R228-V352 HydrophobicContact CG-CB 4.34Å; R228-V352 HydrophobicContact CG-CG2 4.12Å; V352-E354 HydrophobicContact CG1-CG 4.02Å; V352-E354 WeakPolarHBondContact CG1-OE1 3.3Å; V352-E354 HydrophobicContact CG2-CG 3.86Å; V352-L363 HydrophobicContact CG1-CB 3.98Å; V352-L363 PolarHBondContact N-O 3.29Å; V352-L363 PolarHBondContact O-N 3.05Å
353Q92.1Very high90.1Very high14 Ų1443.4 Ų43.47%0.06522%0.221CC..EExtended strand (participates in β ladder)trans-90.5110.6167-167.1-17414.300108.1V220 K227 M306 E360 L361 I362V220-Q353 VanDerWaalsContact CG1-OE1 3.28Å; V220-Q353 VanDerWaalsContact CG2-OE1 3.31Å; K227-Q353 HydrophobicContact CB-CB 4.25Å; K227-Q353 PolarHBondContact O-N 3.41Å; M306-Q353 HydrophobicContact CE-CB 4.22Å; Q353-E360 HydrophobicContact CG-CB 4.32Å; Q353-E360 PolarHBondContact NE2-OE2 3.41Å; Q353-L361 CarbonylContact C-O 3.35Å; Q353-L361 WeakPolarHBondContact CA-O 3.18Å; Q353-I362 HydrophobicContact CB-CG1 4.45Å; Q353-I362 HydrophobicContact CG-CG1 4.2Å
354E90.4Very high90.5Very high64 Ų6439.6 Ų39.630%0.29919%0.19SC..EExtended strand (participates in β ladder)trans-108.5134.9176.7-70.9-179.3-163.900108.8V352 I356 L361 L363 K365V352-E354 HydrophobicContact CG1-CG 4.02Å; V352-E354 WeakPolarHBondContact CG1-OE1 3.3Å; V352-E354 HydrophobicContact CG2-CG 3.86Å; E354-I356 HydrophobicContact CB-CG1 4.3Å; E354-L361 PolarHBondContact N-O 2.98Å; E354-L361 PolarHBondContact O-N 3.3Å; E354-L363 HydrophobicContact CB-CD1 4.21Å; E354-L363 HydrophobicContact CG-CD1 4.19Å; E354-L363 WeakPolarHBondContact OE2-CD1 3.34Å; E354-K365 IonicContact OE1-NZ 3.51Å; E354-K365 PolarHBondContact OE1-NZ 3.16Å
355R88.5Confident90.7Very high164 Ų16439.6 Ų39.662%0.61919%0.189SC*.EExtended strand (participates in β ladder)trans-81.8119.4169.4-177.8175174.4164.71.3108.2C357 D358 E360R355-C357 WeakPolarHBondContact CG-O 3.47Å; R355-C357 PolarHBondContact NE-O 3.23Å; R355-C357 VanDerWaalsContact NE-O 3.08Å; R355-D358 IonicContact NH2-OD1 3.15Å; R355-D358 PolarHBondContact NH2-OD1 2.9Å; R355-E360 HydrophobicContact CB-CG 4.35Å; R355-E360 HydrophobicContact CG-CG 4.45Å
356I86.3Confident90.5Very high11 Ų1142.4 Ų42.46%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-122.2110.4-177.6-67.5-172.1000106.7M209 E354 D358 D359 L361 L363 I376M209-I356 HydrophobicContact CE-CD1 3.7Å; M209-I356 HydrophobicContact CE-CG1 4.35Å; M209-I356 HydrophobicContact CE-CG2 4.5Å; E354-I356 HydrophobicContact CB-CG1 4.3Å; I356-D358 PolarHBondContact O-N 2.66Å; I356-D359 PolarHBondContact N-O 2.81Å; I356-D359 PolarHBondContact O-N 3.18Å; I356-D359 VanDerWaalsContact O-O 3.08Å; I356-L361 HydrophobicContact CB-CD1 4.22Å; I356-L361 HydrophobicContact CD1-CD1 4.15Å; I356-L363 HydrophobicContact CD1-CD1 4.45Å; I356-I376 HydrophobicContact CD1-CD1 3.53Å; I356-I376 HydrophobicContact CG2-CG2 4.47Å
357C83.8Confident90.2Very high34 Ų3443 Ų4323%0.2321%0.207CC..THydrogen-bonded Turntrans57.7-122-165.6-580000110.6H201 R355H201-C357 PolarHBondContact O-SG 3.04Å; H201-C357 VanDerWaalsContact O-SG 3.41Å; R355-C357 WeakPolarHBondContact CG-O 3.47Å; R355-C357 PolarHBondContact NE-O 3.23Å; R355-C357 VanDerWaalsContact NE-O 3.08Å
358D84.6Confident89.6Confident121 Ų12145.1 Ų45.165%0.64722%0.215SC*.THydrogen-bonded Turntrans-97.7-8.4177.4-69-40.7000113.6R355 I356R355-D358 IonicContact NH2-OD1 3.15Å; R355-D358 PolarHBondContact NH2-OD1 2.9Å; I356-D358 PolarHBondContact O-N 2.66Å
359D86.5Confident88.9Confident65 Ų6547.8 Ų47.835%0.34824%0.237SC..EExtended strand (participates in β ladder)trans-93.8138.6179.1-65.1-36.8000111.4I356 L361I356-D359 PolarHBondContact N-O 2.81Å; I356-D359 PolarHBondContact O-N 3.18Å; I356-D359 VanDerWaalsContact O-O 3.08Å; D359-L361 HydrophobicContact CB-CD2 4.46Å
360E89.9Confident88.2Confident53 Ų5349.2 Ų49.225%0.24824%0.238CC..EExtended strand (participates in β ladder)trans-94118.1167.6-65.1-168.4147.600109.4V219 K227 Q353 R355V219-E360 HydrophobicContact CG2-CB 4.36Å; K227-E360 IonicContact NZ-OE1 3.68Å; K227-E360 PolarHBondContact NZ-OE1 3.19Å; K227-E360 VanDerWaalsContact NZ-OE1 3.14Å; Q353-E360 HydrophobicContact CG-CB 4.32Å; Q353-E360 PolarHBondContact NE2-OE2 3.41Å; R355-E360 HydrophobicContact CB-CG 4.35Å; R355-E360 HydrophobicContact CG-CG 4.45Å
361L92.3Very high87.3Confident3 Ų351.7 Ų51.72%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-113.2146-178.6-59.7178.1000110.3L198 N217 Q353 E354 I356 D359 L363 I376L198-L361 HydrophobicContact CD1-CD1 4.01Å; L198-L361 HydrophobicContact CD1-CD2 4.2Å; N217-L361 HydrophobicContact CB-CD2 3.81Å; N217-L361 VanDerWaalsContact OD1-CD2 3.31Å; N217-L361 WeakPolarHBondContact OD1-CD2 3.17Å; Q353-L361 CarbonylContact C-O 3.35Å; Q353-L361 WeakPolarHBondContact CA-O 3.18Å; E354-L361 PolarHBondContact N-O 2.98Å; E354-L361 PolarHBondContact O-N 3.3Å; I356-L361 HydrophobicContact CB-CD1 4.22Å; I356-L361 HydrophobicContact CD1-CD1 4.15Å; D359-L361 HydrophobicContact CB-CD2 4.46Å; L361-L363 HydrophobicContact CB-CD2 4.45Å; L361-I376 HydrophobicContact CD1-CD1 4.07Å; L361-I376 HydrophobicContact CD1-CG2 4.35Å
362I93.4Very high86.6Confident0 Ų052.3 Ų52.30%026%0.26CS..EExtended strand (participates in β ladder)trans-98.9116.5174.5-63.3168000108.3L216 C218 M306 V308 V351 Q353 I364L216-I362 HydrophobicContact CB-CB 4.37Å; L216-I362 PolarHBondContact N-O 3.19Å; L216-I362 PolarHBondContact O-N 3.16Å; C218-I362 HydrophobicContact CB-CD1 4.34Å; C218-I362 WeakPolarHBondContact O-CD1 3.43Å; C218-I362 WeakPolarHBondContact O-CG1 3.49Å; M306-I362 HydrophobicContact CE-CB 4.41Å; M306-I362 HydrophobicContact CE-CD1 3.56Å; M306-I362 HydrophobicContact CE-CG1 3.62Å; M306-I362 HydrophobicContact CE-CG2 3.92Å; V308-I362 HydrophobicContact CB-CD1 4.38Å; V308-I362 HydrophobicContact CG1-CD1 4Å; V308-I362 HydrophobicContact CG2-CD1 3.41Å; V308-I362 VanDerWaalsContact CG2-CD1 3.41Å; V351-I362 HydrophobicContact CG1-CG2 3.73Å; Q353-I362 HydrophobicContact CB-CG1 4.45Å; Q353-I362 HydrophobicContact CG-CG1 4.2Å; I362-I364 HydrophobicContact CG2-CG1 4.43Å
363L93.6Very high86.3Confident0 Ų051.9 Ų51.90%026%0.257CS..EExtended strand (participates in β ladder)trans-101.6118.5177.6-51.4-176.5000109I211 A215 V351 V352 E354 I356 L361 K365 I376I211-L363 HydrophobicContact CD1-CD1 4.08Å; I211-L363 HydrophobicContact CG1-CD1 4.49Å; I211-L363 HydrophobicContact CG1-CD2 4.34Å; A215-L363 HydrophobicContact CB-CD2 3.65Å; V351-L363 WeakPolarHBondContact CA-O 3.46Å; V352-L363 HydrophobicContact CG1-CB 3.98Å; V352-L363 PolarHBondContact N-O 3.29Å; V352-L363 PolarHBondContact O-N 3.05Å; E354-L363 HydrophobicContact CB-CD1 4.21Å; E354-L363 HydrophobicContact CG-CD1 4.19Å; E354-L363 WeakPolarHBondContact OE2-CD1 3.34Å; I356-L363 HydrophobicContact CD1-CD1 4.45Å; L361-L363 HydrophobicContact CB-CD2 4.45Å; L363-K365 HydrophobicContact CB-CG 4.33Å; L363-I376 HydrophobicContact CD2-CD1 3.96Å
364I92.9Very high86.3Confident0 Ų051.2 Ų51.20%025%0.254CS..EExtended strand (participates in β ladder)trans-99.396.9173.1-55.3175.8000106.4G213 Y214 I234 L287 I319 A348 V351 I362 T367G213-I364 CarbonylContact C-O 3.58Å; G213-I364 WeakPolarHBondContact CA-O 3.04Å; Y214-I364 PolarHBondContact N-O 2.88Å; Y214-I364 PolarHBondContact O-N 2.85Å; I234-I364 HydrophobicContact CD1-CD1 4.38Å; I234-I364 HydrophobicContact CD1-CG2 3.71Å; L287-I364 HydrophobicContact CD1-CD1 4.23Å; I319-I364 HydrophobicContact CD1-CD1 3.93Å; I319-I364 HydrophobicContact CG1-CD1 4.12Å; I319-I364 HydrophobicContact CG2-CD1 3.6Å; A348-I364 HydrophobicContact CB-CG2 3.67Å; V351-I364 HydrophobicContact CG1-CG1 4.38Å; V351-I364 HydrophobicContact CG2-CB 4.37Å; V351-I364 HydrophobicContact CG2-CG1 4.11Å; V351-I364 HydrophobicContact CG2-CG2 4.08Å; I362-I364 HydrophobicContact CG2-CG1 4.43Å; I364-T367 HydrophobicContact CG2-CG2 3.72Å
365K90.5Very high86.5Confident46 Ų4648.1 Ų48.120%0.224%0.24CC..EExtended strand (participates in β ladder)trans-90.7143.3-175.4-54.6-167.7-161.8148.40111I211 S212 E349 E350 E354 L363I211-K365 HydrophobicContact CG2-CG 4.35Å; S212-K365 WeakPolarHBondContact O-CA 3.19Å; E349-K365 PolarHBondContact N-O 2.92Å; E350-K365 HydrophobicContact CG-CB 3.92Å; E350-K365 HydrophobicContact CG-CD 4.39Å; E350-K365 HydrophobicContact CG-CG 4.33Å; E350-K365 PolarHBondContact O-N 3.49Å; E350-K365 VanDerWaalsContact OE1-CD 3.27Å; E350-K365 WeakPolarHBondContact OE1-CD 3.43Å; E350-K365 IonicContact OE1-NZ 2.76Å; E350-K365 PolarHBondContact OE1-NZ 3.46Å; E354-K365 IonicContact OE1-NZ 3.51Å; E354-K365 PolarHBondContact OE1-NZ 3.16Å; L363-K365 HydrophobicContact CB-CG 4.33Å
366N86.7Confident86.8Confident71 Ų7140.3 Ų40.338%0.3821%0.211SC..EExtended strand (participates in β ladder)trans48.673175.2-61.5-28.1000113.7S212 E349S212-N366 PolarHBondContact O-N 2.71Å; S212-N366 PolarHBondContact OG-OD1 3Å; E349-N366 HydrophobicContact CB-CB 3.9Å; E349-N366 PolarHBondContact N-O 3.42Å; E349-N366 VanDerWaalsContact OE2-CB 3.3Å; E349-N366 WeakPolarHBondContact OE2-CB 3.16Å; E349-N366 PolarHBondContact OE2-ND2 3.43Å
367T85.6Confident87.1Confident11 Ų1139.8 Ų39.87%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-73.6136.9173.649.30000111.4A322 A348 I364 R370A322-T367 HydrophobicContact CB-CG2 4.07Å; A322-T367 VanDerWaalsContact O-CB 3.32Å; A322-T367 WeakPolarHBondContact O-CB 3.16Å; A348-T367 HydrophobicContact CB-CG2 4.42Å; I364-T367 HydrophobicContact CG2-CG2 3.72Å; T367-R370 PolarHBondContact OG1-O 2.92Å
368K80.2Confident87.5Confident141 Ų14138.4 Ų38.461%0.61320%0.198SC*.SBendtrans-77.6-36.1-169-74.4-160.2-175.2175.70115.9Q347Q347-K368 HydrophobicContact CB-CB 4.19Å; Q347-K368 HydrophobicContact CB-CD 3.92Å; Q347-K368 HydrophobicContact CB-CG 4.1Å; Q347-K368 PolarHBondContact O-N 3.41Å; Q347-K368 VanDerWaalsContact OE1-CD 3.32Å
369A77.8Confident87.8Confident60 Ų6032.6 Ų32.650%0.49617%0.167SC..SBendtrans-77.5-44.3-171.400000111.8A322A322-A369 WeakPolarHBondContact O-CB 3.23Å; A322-A369 PolarHBondContact O-N 3.4Å
370R76.5Confident87.9Confident132 Ų13232.1 Ų32.150%0.49817%0.172SC..SBendtrans-139.6139.2175.1-60.9-178.3-178.5-164.6-2.6109.2A322 T367 S372A322-R370 PolarHBondContact O-N 2.91Å; T367-R370 PolarHBondContact OG1-O 2.92Å; R370-S372 PolarHBondContact O-N 2.95Å
371T73.5Confident87.9Confident82 Ų8234.2 Ų34.250%0.50319%0.185SC..  trans-66.5131.7167.2-45.60000108.1A178A178-T371 HydrophobicContact CB-CG2 3.92Å; A178-T371 CarbonylContact O-C 3.58Å; A178-T371 VanDerWaalsContact O-CB 3.31Å; A178-T371 WeakPolarHBondContact O-CB 3.4Å
372S80.4Confident87.7Confident14 Ų1438 Ų3810%0.09821%0.205CC..  trans-125.5156.1172.7-670000107.8G213 A322 R370G213-S372 VanDerWaalsContact CA-O 3.31Å; G213-S372 WeakPolarHBondContact CA-O 3.28Å; G213-S372 PolarHBondContact N-O 2.82Å; G213-S372 CarbonylContact O-C 3.52Å; A322-S372 WeakPolarHBondContact CB-OG 3.46Å; R370-S372 PolarHBondContact O-N 2.95Å
373A88Confident87.5Confident3 Ų343.1 Ų43.13%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-128.7144.2175.500000109.3A175 A178 V195 L210 G213A175-A373 HydrophobicContact CB-CB 4.01Å; A178-A373 HydrophobicContact CB-CB 3.97Å; V195-A373 WeakPolarHBondContact CA-O 3.33Å; L210-A373 HydrophobicContact CD1-CB 4.16Å; G213-A373 CarbonylContact O-C 3.57Å; G213-A373 VanDerWaalsContact O-CA 3.32Å; G213-A373 WeakPolarHBondContact O-CA 3.44Å; G213-A373 PolarHBondContact O-N 3.08Å
374S92.2Very high87.2Confident0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-130.4142.9169.6-60.40000109.2N196 I211 G213 Y214 A215N196-S374 CarbonylContact O-C 3.58Å; N196-S374 VanDerWaalsContact O-CA 3.23Å; N196-S374 WeakPolarHBondContact O-CA 3.43Å; N196-S374 WeakPolarHBondContact O-CB 3.38Å; I211-S374 PolarHBondContact N-O 3.48Å; I211-S374 PolarHBondContact O-N 3.5Å; I211-S374 VanDerWaalsContact O-N 3.09Å; G213-S374 PolarHBondContact O-N 3.26Å; G213-S374 PolarHBondContact O-OG 2.98Å; Y214-S374 WeakPolarHBondContact CA-OG 3.22Å; A215-S374 PolarHBondContact N-OG 2.82Å
375I94.1Very high87.1Confident0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-112.5126.9179.3-62.4170.1000107.2M171 A175 V195 N196 I197 L198 L210 L377 L392M171-I375 HydrophobicContact CG-CD1 4.08Å; M171-I375 HydrophobicContact CG-CG1 4.14Å; M171-I375 HydrophobicContact SD-CB 4.41Å; M171-I375 HydrophobicContact SD-CD1 4.33Å; M171-I375 HydrophobicContact SD-CG1 4.15Å; M171-I375 HydrophobicContact SD-CG2 3.47Å; M171-I375 WeakPolarHBondContact SD-CG2 3.39Å; A175-I375 HydrophobicContact CB-CD1 4.01Å; A175-I375 HydrophobicContact CB-CG1 4.44Å; V195-I375 HydrophobicContact CG1-CD1 4.06Å; V195-I375 HydrophobicContact CG1-CG1 4.17Å; N196-I375 PolarHBondContact O-N 2.86Å; I197-I375 WeakPolarHBondContact CA-O 2.9Å; L198-I375 PolarHBondContact N-O 3.43Å; L210-I375 HydrophobicContact CD1-CG1 3.81Å; I375-L377 HydrophobicContact CG2-CD2 3.54Å; I375-L377 HydrophobicContact CG2-CG 4.25Å; I375-L392 HydrophobicContact CG2-CD1 4.49Å
376I93.9Very high87.1Confident0 Ų046.9 Ų46.90%025%0.249CC..EExtended strand (participates in β ladder)trans-106.8113.5172.9-47.4-179.8000108L198 S208 M209 I211 A215 I356 L361 L363 R378L198-I376 HydrophobicContact CB-CG1 4.48Å; L198-I376 HydrophobicContact CB-CG2 4.31Å; L198-I376 CarbonylContact O-C 3.56Å; L198-I376 WeakPolarHBondContact O-CA 3.48Å; S208-I376 CarbonylContact C-O 3.31Å; S208-I376 VanDerWaalsContact CA-O 3.26Å; S208-I376 WeakPolarHBondContact CA-O 3.32Å; S208-I376 WeakPolarHBondContact CB-O 3.41Å; M209-I376 PolarHBondContact N-O 2.92Å; M209-I376 PolarHBondContact O-N 3.24Å; I211-I376 HydrophobicContact CG1-CD1 3.91Å; I211-I376 HydrophobicContact CG1-CG1 4.2Å; A215-I376 HydrophobicContact CB-CD1 4.36Å; A215-I376 HydrophobicContact CB-CG1 4.44Å; I356-I376 HydrophobicContact CD1-CD1 3.53Å; I356-I376 HydrophobicContact CG2-CG2 4.47Å; L361-I376 HydrophobicContact CD1-CD1 4.07Å; L361-I376 HydrophobicContact CD1-CG2 4.35Å; L363-I376 HydrophobicContact CD2-CD1 3.96Å; I376-R378 VanDerWaalsContact CG2-NH2 3.31Å
377L93.8Very high87.1Confident0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-85.6137.1-179.2-57179.4000111.7F168 I197 L198 A200 I375 M388 E389 L392F168-L377 HydrophobicContact CE1-CD2 4.28Å; I197-L377 HydrophobicContact CG2-CD1 3.46Å; I197-L377 VanDerWaalsContact CG2-CD1 3.46Å; I197-L377 HydrophobicContact CG2-CG 3.85Å; L198-L377 PolarHBondContact O-N 2.78Å; A200-L377 PolarHBondContact N-O 2.95Å; A200-L377 VanDerWaalsContact O-O 3.09Å; I375-L377 HydrophobicContact CG2-CD2 3.54Å; I375-L377 HydrophobicContact CG2-CG 4.25Å; L377-M388 HydrophobicContact CD1-CB 4.07Å; L377-M388 HydrophobicContact CD2-CE 4.47Å; L377-E389 HydrophobicContact CD1-CB 4.11Å; L377-L392 HydrophobicContact CD1-CD1 3.77Å; L377-L392 HydrophobicContact CD2-CD1 3.13Å; L377-L392 HydrophobicContact CG-CD1 4.04Å
378R91.2Very high87.4Confident4 Ų443.2 Ų43.22%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-111.7136.1169.3-64.2-70.1171.4-85.6-35.8108.7A200 G202 S204 Q205 E207 S208 I376 M388A200-R378 PolarHBondContact O-NH1 2.85Å; G202-R378 VanDerWaalsContact O-CD 3.3Å; G202-R378 WeakPolarHBondContact O-CD 3.36Å; S204-R378 VanDerWaalsContact O-CB 3.29Å; S204-R378 WeakPolarHBondContact O-CB 3.48Å; Q205-R378 WeakPolarHBondContact CA-O 3.4Å; E207-R378 HydrophobicContact CB-CG 4.29Å; S208-R378 PolarHBondContact OG-N 2.87Å; I376-R378 VanDerWaalsContact CG2-NH2 3.31Å; R378-M388 WeakPolarHBondContact O-CE 3.44Å
379G90.3Very high87.9Confident0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-155.5162177.100000109.6H201 G202H201-G379 CarbonylContact C-O 3.58Å; H201-G379 WeakPolarHBondContact CA-O 2.89Å; G202-G379 PolarHBondContact N-O 3.26Å
380A89.8Confident88.4Confident55 Ų5540 Ų4046%0.45520%0.202SC..SBendtrans-62.4-48.1-177.100000111.5M384A380-M384 HydrophobicContact CB-SD 3.79Å
381N89.8Confident89Confident96 Ų9633.7 Ų33.751%0.51318%0.179SC..SBendtrans-134.6164.2-176.4-60-12.3000110.2F383 M384 C385N381-F383 VanDerWaalsContact C-N 3.31Å; N381-F383 PolarHBondContact O-N 2.84Å; N381-M384 WeakPolarHBondContact O-CB 3.35Å; N381-M384 PolarHBondContact O-N 3.04Å; N381-C385 PolarHBondContact O-N 3.4Å; N381-C385 VanDerWaalsContact O-N 3.09Å
382D88.8Confident89.9Confident84 Ų8429.8 Ų29.845%0.44916%0.155SC..Hα-helixtrans-57.8-40.5178.7-67-33.8000113H201 M384 C385 D386H201-D382 IonicContact CD2-OD1 2.82Å; H201-D382 PolarHBondContact CD2-OD1 3.15Å; H201-D382 IonicContact CD2-OD2 2.94Å; H201-D382 IonicContact CG-OD1 3.97Å; D382-M384 PolarHBondContact O-N 3.28Å; D382-C385 CarbonylContact O-C 3.56Å; D382-C385 WeakPolarHBondContact O-CA 3.37Å; D382-C385 WeakPolarHBondContact O-CB 3.37Å; D382-C385 PolarHBondContact O-N 3.43Å; D382-D386 PolarHBondContact O-N 2.67Å
383F87.5Confident90.3Very high107 Ų10732.2 Ų32.247%0.46916%0.164SC..Hα-helixtrans-56.7-38.2176-53.7-63.1000113V52 N381 E387V52-F383 WeakPolarHBondContact O-CD1 3.38Å; V52-F383 WeakPolarHBondContact O-CE1 3.32Å; N381-F383 VanDerWaalsContact C-N 3.31Å; N381-F383 PolarHBondContact O-N 2.84Å; F383-E387 PolarHBondContact O-N 3.41Å
384M88.4Confident90.4Very high73 Ų7332.5 Ų32.536%0.3617%0.165SC..Hα-helixtrans-71.7-43.1175.2-69.5-171.6173.400110.8I160 A380 N381 D382 D386 E387 M388I160-M384 HydrophobicContact CD1-CB 4.15Å; I160-M384 HydrophobicContact CD1-CE 4.5Å; I160-M384 HydrophobicContact CD1-CG 3.79Å; I160-M384 HydrophobicContact CD1-SD 4.26Å; A380-M384 HydrophobicContact CB-SD 3.79Å; N381-M384 WeakPolarHBondContact O-CB 3.35Å; N381-M384 PolarHBondContact O-N 3.04Å; D382-M384 PolarHBondContact O-N 3.28Å; M384-D386 VanDerWaalsContact C-N 3.28Å; M384-D386 PolarHBondContact O-N 3.17Å; M384-E387 PolarHBondContact O-N 2.93Å; M384-M388 WeakPolarHBondContact O-CB 3.19Å; M384-M388 WeakPolarHBondContact O-CG 3.48Å; M384-M388 PolarHBondContact O-N 3.05Å
385C90.6Very high90.4Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-60.6-38177.9-68.30000112.3K199 N381 D382 M388 E389K199-C385 HydrophobicContact CB-CB 4.07Å; K199-C385 HydrophobicContact CD-CB 3.91Å; K199-C385 HydrophobicContact CG-CB 3.99Å; N381-C385 PolarHBondContact O-N 3.4Å; N381-C385 VanDerWaalsContact O-N 3.09Å; D382-C385 CarbonylContact O-C 3.56Å; D382-C385 WeakPolarHBondContact O-CA 3.37Å; D382-C385 WeakPolarHBondContact O-CB 3.37Å; D382-C385 PolarHBondContact O-N 3.43Å; C385-M388 PolarHBondContact O-N 2.81Å; C385-E389 WeakPolarHBondContact O-CB 3.38Å; C385-E389 PolarHBondContact O-N 3.42Å
386D89.7Confident90.3Very high52 Ų5232.5 Ų32.528%0.27817%0.165SC..Hα-helixtrans-64.5-45.3176.7-72.6-12.5000111.5K199 D382 M384 M388 E389 R390K199-D386 VanDerWaalsContact CD-OD1 3.31Å; K199-D386 WeakPolarHBondContact CD-OD1 3.36Å; K199-D386 WeakPolarHBondContact CE-OD1 3.31Å; K199-D386 IonicContact NZ-OD1 3.88Å; K199-D386 PolarHBondContact NZ-OD1 3.34Å; D382-D386 PolarHBondContact O-N 2.67Å; M384-D386 VanDerWaalsContact C-N 3.28Å; M384-D386 PolarHBondContact O-N 3.17Å; D386-M388 VanDerWaalsContact C-N 3.34Å; D386-E389 PolarHBondContact O-N 3.28Å; D386-R390 WeakPolarHBondContact O-CG 3.48Å; D386-R390 PolarHBondContact O-N 3.21Å; D386-R390 VanDerWaalsContact O-N 3.16Å
387E87.9Confident90.1Very high4 Ų433.1 Ų33.12%0.01917%0.17CC..Hα-helixtrans-68.4-35.8176.3-174.360.3-173.900111.8T55 N56 I160 F383 M384 R390 S391T55-E387 VanDerWaalsContact CA-OE2 3.3Å; T55-E387 WeakPolarHBondContact CA-OE2 3.3Å; T55-E387 WeakPolarHBondContact CB-OE2 3.46Å; T55-E387 PolarHBondContact OG1-OE1 2.92Å; T55-E387 PolarHBondContact OG1-OE2 3.38Å; N56-E387 PolarHBondContact N-OE1 3.47Å; I160-E387 HydrophobicContact CB-CG 4.38Å; I160-E387 HydrophobicContact CG2-CB 4.26Å; I160-E387 HydrophobicContact CG2-CG 3.88Å; F383-E387 PolarHBondContact O-N 3.41Å; M384-E387 PolarHBondContact O-N 2.93Å; E387-R390 PolarHBondContact O-N 3.23Å; E387-R390 IonicContact OE2-NH1 3.89Å; E387-S391 VanDerWaalsContact O-CB 3.25Å; E387-S391 WeakPolarHBondContact O-CB 3.29Å; E387-S391 PolarHBondContact O-N 3.3Å; E387-S391 PolarHBondContact O-OG 3.04Å
388M91.1Very high90Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-64.1-41.1173.7-70.1177.366.100112.2I160 I161 F168 Q205 L377 R378 M384 C385 D386 S391 L392I160-M388 HydrophobicContact CG2-CG 3.78Å; I161-M388 HydrophobicContact CG2-CB 4.1Å; I161-M388 HydrophobicContact CG2-CE 3.99Å; I161-M388 HydrophobicContact CG2-CG 3.57Å; I161-M388 HydrophobicContact CG2-SD 4.45Å; F168-M388 HydrophobicContact CE1-CE 4.06Å; F168-M388 HydrophobicContact CE2-CE 4.21Å; F168-M388 HydrophobicContact CZ-CE 3.46Å; F168-M388 VanDerWaalsContact CZ-CE 3.46Å; Q205-M388 HydrophobicContact CB-CE 4.13Å; Q205-M388 HydrophobicContact CG-CE 4.04Å; Q205-M388 HydrophobicContact CG-SD 3.91Å; L377-M388 HydrophobicContact CD1-CB 4.07Å; L377-M388 HydrophobicContact CD2-CE 4.47Å; R378-M388 WeakPolarHBondContact O-CE 3.44Å; M384-M388 WeakPolarHBondContact O-CB 3.19Å; M384-M388 WeakPolarHBondContact O-CG 3.48Å; M384-M388 PolarHBondContact O-N 3.05Å; C385-M388 PolarHBondContact O-N 2.81Å; D386-M388 VanDerWaalsContact C-N 3.34Å; M388-S391 PolarHBondContact O-N 2.98Å; M388-L392 WeakPolarHBondContact O-CB 3.04Å; M388-L392 WeakPolarHBondContact O-CG 3.38Å; M388-L392 PolarHBondContact O-N 3.36Å
389E91.3Very high90Very high66 Ų6633 Ų3331%0.30817%0.169SC..Hα-helixtrans-59.5-48.5176.3178.4-179.5-173.500110.9I197 K199 L377 C385 D386 L392 H393I197-E389 HydrophobicContact CB-CG 4.42Å; I197-E389 HydrophobicContact CG2-CB 4.37Å; I197-E389 HydrophobicContact CG2-CG 3.99Å; K199-E389 HydrophobicContact CD-CB 4.33Å; K199-E389 VanDerWaalsContact CD-OE2 3.26Å; K199-E389 WeakPolarHBondContact CD-OE2 3.26Å; K199-E389 WeakPolarHBondContact CE-OE2 3.46Å; K199-E389 IonicContact NZ-OE2 3.85Å; K199-E389 PolarHBondContact NZ-OE2 3.33Å; L377-E389 HydrophobicContact CD1-CB 4.11Å; C385-E389 WeakPolarHBondContact O-CB 3.38Å; C385-E389 PolarHBondContact O-N 3.42Å; D386-E389 PolarHBondContact O-N 3.28Å; E389-L392 PolarHBondContact O-N 2.82Å; E389-H393 PolarHBondContact O-N 3.44Å
390R88.1Confident90Very high68 Ų6834.9 Ų34.926%0.25718%0.177SC..Hα-helixtrans-61.4-48.9176.1-67175.5-170.2164.91.9111.4T55 D386 E387 L392 H393 D394T55-R390 PolarHBondContact OG1-NH1 3.43Å; D386-R390 WeakPolarHBondContact O-CG 3.48Å; D386-R390 PolarHBondContact O-N 3.21Å; D386-R390 VanDerWaalsContact O-N 3.16Å; E387-R390 PolarHBondContact O-N 3.23Å; E387-R390 IonicContact OE2-NH1 3.89Å; R390-L392 VanDerWaalsContact C-N 3.27Å; R390-L392 PolarHBondContact O-N 2.94Å; R390-H393 WeakPolarHBondContact O-CB 3.49Å; R390-H393 PolarHBondContact O-N 3.37Å; R390-D394 PolarHBondContact O-N 3.19Å; R390-D394 VanDerWaalsContact O-N 3.11Å
391S89Confident90Very high0 Ų034 Ų340%016%0.162CC..Hα-helixtrans-57.2-40.5-179.6-62.10000113K159 I161 E387 M388 A395K159-S391 WeakPolarHBondContact CB-OG 3.18Å; K159-S391 VanDerWaalsContact CD-CB 3.45Å; K159-S391 VanDerWaalsContact CD-OG 3.31Å; K159-S391 WeakPolarHBondContact CD-OG 3.22Å; I161-S391 VanDerWaalsContact CD1-CB 3.44Å; E387-S391 VanDerWaalsContact O-CB 3.25Å; E387-S391 WeakPolarHBondContact O-CB 3.29Å; E387-S391 PolarHBondContact O-N 3.3Å; E387-S391 PolarHBondContact O-OG 3.04Å; M388-S391 PolarHBondContact O-N 2.98Å; S391-A395 PolarHBondContact O-N 3.1Å
392L91.6Very high90Very high0 Ų029.5 Ų29.50%014%0.138CC..Hα-helixtrans-73.2-36.2176.7-79.4167.4000112.7M156 I161 F168 V172 I197 I375 L377 M388 E389 R390 D394 A395 L396M156-L392 HydrophobicContact SD-CD2 4.5Å; I161-L392 HydrophobicContact CD1-CD2 4.12Å; I161-L392 HydrophobicContact CD1-CG 3.97Å; F168-L392 HydrophobicContact CB-CD2 4.22Å; F168-L392 HydrophobicContact CD1-CD1 4.3Å; F168-L392 HydrophobicContact CD1-CD2 4.03Å; F168-L392 HydrophobicContact CE1-CD1 4.47Å; F168-L392 HydrophobicContact CG-CD2 4.43Å; V172-L392 HydrophobicContact CG2-CD2 3.41Å; V172-L392 VanDerWaalsContact CG2-CD2 3.41Å; I197-L392 HydrophobicContact CD1-CB 4.45Å; I375-L392 HydrophobicContact CG2-CD1 4.49Å; L377-L392 HydrophobicContact CD1-CD1 3.77Å; L377-L392 HydrophobicContact CD2-CD1 3.13Å; L377-L392 HydrophobicContact CG-CD1 4.04Å; M388-L392 WeakPolarHBondContact O-CB 3.04Å; M388-L392 WeakPolarHBondContact O-CG 3.38Å; M388-L392 PolarHBondContact O-N 3.36Å; E389-L392 PolarHBondContact O-N 2.82Å; R390-L392 VanDerWaalsContact C-N 3.27Å; R390-L392 PolarHBondContact O-N 2.94Å; L392-D394 VanDerWaalsContact C-N 3.31Å; L392-D394 PolarHBondContact O-N 3.26Å; L392-A395 PolarHBondContact O-N 3.26Å; L392-L396 WeakPolarHBondContact O-CB 3.47Å; L392-L396 WeakPolarHBondContact O-CG 3.29Å; L392-L396 PolarHBondContact O-N 2.9Å
393H90Very high89.9Confident65 Ų6527.1 Ų27.130%0.30113%0.125SC..Hα-helixtrans-57.9-46.7175.2-172.869.3000111.5E389 R390 A395 L396 C397E389-H393 PolarHBondContact O-N 3.44Å; R390-H393 WeakPolarHBondContact O-CB 3.49Å; R390-H393 PolarHBondContact O-N 3.37Å; H393-A395 PolarHBondContact O-N 3.41Å; H393-L396 WeakPolarHBondContact O-CB 3.45Å; H393-L396 PolarHBondContact O-N 2.88Å; H393-C397 PolarHBondContact O-N 2.91Å; H393-C397 PolarHBondContact O-SG 3.38Å; H393-C397 VanDerWaalsContact O-SG 3.4Å
394D89.6Confident89.8Confident8 Ų825.5 Ų25.54%0.04312%0.119CC..Hα-helixtrans-63.6-42.9178.2-60.7-13.3000111.6G87 K159 R390 L392 L396 C397 V398G87-D394 WeakPolarHBondContact O-CA 3.33Å; G87-D394 WeakPolarHBondContact O-CB 3.44Å; K159-D394 VanDerWaalsContact NZ-CG 3.28Å; K159-D394 IonicContact NZ-OD2 2.74Å; K159-D394 PolarHBondContact NZ-OD2 2.99Å; R390-D394 PolarHBondContact O-N 3.19Å; R390-D394 VanDerWaalsContact O-N 3.11Å; L392-D394 VanDerWaalsContact C-N 3.31Å; L392-D394 PolarHBondContact O-N 3.26Å; D394-L396 VanDerWaalsContact C-N 3.35Å; D394-L396 PolarHBondContact O-N 3.34Å; D394-C397 WeakPolarHBondContact O-CB 3.46Å; D394-C397 PolarHBondContact O-N 3.04Å; D394-C397 VanDerWaalsContact O-N 3.14Å; D394-V398 WeakPolarHBondContact O-CG2 3.28Å; D394-V398 PolarHBondContact O-N 3.26Å
395A91.4Very high89.5Confident0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-63-40.4176.500000112M156 V172 S391 L392 H393 C397 V398 V399M156-A395 HydrophobicContact CG-CB 3.77Å; M156-A395 HydrophobicContact SD-CB 4.14Å; V172-A395 HydrophobicContact CG1-CB 4.24Å; V172-A395 HydrophobicContact CG2-CB 4.24Å; S391-A395 PolarHBondContact O-N 3.1Å; L392-A395 PolarHBondContact O-N 3.26Å; H393-A395 PolarHBondContact O-N 3.41Å; A395-C397 VanDerWaalsContact C-N 3.32Å; A395-C397 PolarHBondContact O-N 3.47Å; A395-V398 PolarHBondContact O-N 3.32Å; A395-V399 WeakPolarHBondContact O-CG2 3.36Å; A395-V399 PolarHBondContact O-N 3.05Å
396L92.4Very high89.2Confident1 Ų128.8 Ų28.81%0.00514%0.137CC..Hα-helixtrans-60.9-42.3173-71.5166.9000110.9V172 A175 V176 V192 V195 I197 L392 H393 D394 K400V172-L396 HydrophobicContact CB-CD2 4.41Å; V172-L396 HydrophobicContact CG1-CD2 3.85Å; V172-L396 HydrophobicContact CG1-CG 4.2Å; A175-L396 HydrophobicContact CB-CD2 4.32Å; V176-L396 HydrophobicContact CG2-CD2 3.47Å; V176-L396 VanDerWaalsContact CG2-CD2 3.47Å; V192-L396 HydrophobicContact CB-CB 4.26Å; V192-L396 HydrophobicContact CG1-CB 3.98Å; V192-L396 WeakPolarHBondContact CG1-O 3.27Å; V195-L396 HydrophobicContact CB-CD1 4.41Å; V195-L396 HydrophobicContact CG1-CD1 4.43Å; V195-L396 HydrophobicContact CG2-CD2 4.47Å; I197-L396 HydrophobicContact CD1-CD1 4.07Å; L392-L396 WeakPolarHBondContact O-CB 3.47Å; L392-L396 WeakPolarHBondContact O-CG 3.29Å; L392-L396 PolarHBondContact O-N 2.9Å; H393-L396 WeakPolarHBondContact O-CB 3.45Å; H393-L396 PolarHBondContact O-N 2.88Å; D394-L396 VanDerWaalsContact C-N 3.35Å; D394-L396 PolarHBondContact O-N 3.34Å; L396-K400 WeakPolarHBondContact O-CB 3.45Å; L396-K400 PolarHBondContact O-N 3.45Å
397C90.8Very high89.1Confident13 Ų1327.5 Ų27.59%0.08813%0.132CC..Hα-helixtrans-62.3-45.4175.9-76.90000111.9H393 D394 A395 K400 R401H393-C397 PolarHBondContact O-N 2.91Å; H393-C397 PolarHBondContact O-SG 3.38Å; H393-C397 VanDerWaalsContact O-SG 3.4Å; D394-C397 WeakPolarHBondContact O-CB 3.46Å; D394-C397 PolarHBondContact O-N 3.04Å; D394-C397 VanDerWaalsContact O-N 3.14Å; A395-C397 VanDerWaalsContact C-N 3.32Å; A395-C397 PolarHBondContact O-N 3.47Å; C397-K400 WeakPolarHBondContact O-CB 3.08Å; C397-K400 PolarHBondContact O-N 3.31Å; C397-R401 WeakPolarHBondContact O-CG 3.41Å; C397-R401 PolarHBondContact O-N 2.89Å
398V91.2Very high89.2Confident1 Ų127.3 Ų27.31%0.00613%0.131CC..Hα-helixtrans-58.5-52.3175.6167.60000111.3D88 A151 S155 D394 A395 K400 R401 V402 P506D88-V398 HydrophobicContact CB-CG2 3.54Å; D88-V398 WeakPolarHBondContact OD2-CG2 3.3Å; A151-V398 HydrophobicContact CB-CG1 4.32Å; S155-V398 WeakPolarHBondContact OG-CG2 3.48Å; D394-V398 WeakPolarHBondContact O-CG2 3.28Å; D394-V398 PolarHBondContact O-N 3.26Å; A395-V398 PolarHBondContact O-N 3.32Å; V398-K400 VanDerWaalsContact C-N 3.31Å; V398-K400 PolarHBondContact O-N 2.99Å; V398-R401 PolarHBondContact O-N 3.46Å; V398-V402 HydrophobicContact CG1-CG2 4.5Å; V398-V402 WeakPolarHBondContact O-CG2 3.39Å; V398-V402 PolarHBondContact O-N 2.92Å; V398-P506 HydrophobicContact CB-CG 4.48Å; V398-P506 HydrophobicContact CG1-CG 3.76Å
399V91.3Very high89.3Confident0 Ų027.3 Ų27.30%013%0.131CC..Hα-helixtrans-61-40.9-179.71730000111.3L148 A152 V172 V173 V176 A395 R401 V402 L403L148-V399 HydrophobicContact CD2-CG1 3.79Å; A152-V399 HydrophobicContact CB-CG2 3.68Å; V172-V399 HydrophobicContact CG1-CB 4.34Å; V172-V399 HydrophobicContact CG1-CG2 3.81Å; V173-V399 HydrophobicContact CG2-CG1 4.43Å; V173-V399 HydrophobicContact CG2-CG2 4.38Å; V176-V399 HydrophobicContact CB-CG1 4.03Å; V176-V399 HydrophobicContact CG1-CG1 4.07Å; V176-V399 HydrophobicContact CG2-CB 4.35Å; V176-V399 HydrophobicContact CG2-CG1 4.04Å; A395-V399 WeakPolarHBondContact O-CG2 3.36Å; A395-V399 PolarHBondContact O-N 3.05Å; V399-R401 VanDerWaalsContact C-N 3.32Å; V399-R401 PolarHBondContact O-N 3.43Å; V399-V402 PolarHBondContact O-N 3.46Å; V399-L403 HydrophobicContact CG1-CD1 4.15Å; V399-L403 WeakPolarHBondContact O-CG 3.3Å; V399-L403 PolarHBondContact O-N 2.81Å
400K90.2Very high89.3Confident40 Ų4024.2 Ų24.217%0.17412%0.116CC..Hα-helixtrans-55.3-47.5171.8166.5-167.6174.5-171.80111.2Y190 V192 L396 C397 V398 L403 E404Y190-K400 WeakPolarHBondContact O-CD 3.22Å; V192-K400 HydrophobicContact CG1-CB 3.69Å; V192-K400 HydrophobicContact CG1-CD 3.79Å; V192-K400 HydrophobicContact CG1-CG 4.26Å; V192-K400 HydrophobicContact CG2-CD 4.24Å; L396-K400 WeakPolarHBondContact O-CB 3.45Å; L396-K400 PolarHBondContact O-N 3.45Å; C397-K400 WeakPolarHBondContact O-CB 3.08Å; C397-K400 PolarHBondContact O-N 3.31Å; V398-K400 VanDerWaalsContact C-N 3.31Å; V398-K400 PolarHBondContact O-N 2.99Å; K400-L403 PolarHBondContact O-N 2.64Å; K400-E404 WeakPolarHBondContact CE-OE1 3.34Å; K400-E404 HydrophobicContact CG-CG 4.46Å; K400-E404 WeakPolarHBondContact O-CG 3.36Å; K400-E404 PolarHBondContact O-N 3.02Å
401R89.3Confident89.4Confident36 Ų3621 Ų2114%0.13610%0.104CC..Hα-helixtrans-66.5-37.2-179.1-67-45.8-174-177.21.8112.7E85 C397 V398 V399 L403 E404 S405 P506 I508E85-R401 PolarHBondContact O-NH2 3.12Å; C397-R401 WeakPolarHBondContact O-CG 3.41Å; C397-R401 PolarHBondContact O-N 2.89Å; V398-R401 PolarHBondContact O-N 3.46Å; V399-R401 VanDerWaalsContact C-N 3.32Å; V399-R401 PolarHBondContact O-N 3.43Å; R401-L403 VanDerWaalsContact C-N 3.34Å; R401-E404 IonicContact CZ-OE2 2.66Å; R401-E404 IonicContact NH1-OE2 3.04Å; R401-E404 PolarHBondContact NH1-OE2 3.35Å; R401-E404 PolarHBondContact O-N 2.87Å; R401-S405 VanDerWaalsContact O-CB 3.3Å; R401-S405 WeakPolarHBondContact O-CB 3.33Å; R401-S405 PolarHBondContact O-N 3.4Å; R401-P506 HydrophobicContact CB-CB 4.06Å; R401-P506 HydrophobicContact CB-CG 4.18Å; R401-I508 HydrophobicContact CB-CG2 3.85Å; R401-I508 HydrophobicContact CG-CG2 3.9Å
402V89.4Confident89.4Confident1 Ų121.7 Ų21.71%0.00611%0.112CC..Hα-helixtrans-59.6-46.6172.8178.30000110.5T140 L148 A151 V398 V399 E404 K406 V408 P506T140-V402 HydrophobicContact CG2-CG1 3.49Å; T140-V402 VanDerWaalsContact CG2-CG1 3.49Å; L148-V402 HydrophobicContact CD2-CB 4.31Å; L148-V402 HydrophobicContact CD2-CG1 4.03Å; A151-V402 HydrophobicContact CB-CG2 3.91Å; V398-V402 HydrophobicContact CG1-CG2 4.5Å; V398-V402 WeakPolarHBondContact O-CG2 3.39Å; V398-V402 PolarHBondContact O-N 2.92Å; V399-V402 PolarHBondContact O-N 3.46Å; V402-E404 PolarHBondContact O-N 2.91Å; V402-K406 WeakPolarHBondContact O-CA 3.47Å; V402-K406 PolarHBondContact O-N 3.16Å; V402-V408 HydrophobicContact CG1-CG1 3.89Å; V402-V408 HydrophobicContact CG2-CG1 3.97Å; V402-P506 HydrophobicContact CG2-CB 4.2Å; V402-P506 HydrophobicContact CG2-CG 3.75Å
403L87.6Confident89.4Confident35 Ų3521.8 Ų21.818%0.18311%0.113CC..Hα-helixtrans-67.7-34.3-179.6-70.5168.9000113.7L148 V176 L177 Y190 V399 K400 R401L148-L403 HydrophobicContact CD1-CD2 4.11Å; L148-L403 HydrophobicContact CD2-CD1 4.17Å; L148-L403 HydrophobicContact CD2-CD2 3.51Å; L148-L403 HydrophobicContact CD2-CG 3.53Å; L148-L403 HydrophobicContact CG-CD2 4.45Å; V176-L403 HydrophobicContact CG1-CD1 3.52Å; L177-L403 HydrophobicContact CD2-CD1 4.44Å; Y190-L403 HydrophobicContact CD1-CD1 3.98Å; Y190-L403 HydrophobicContact CD2-CB 3.84Å; Y190-L403 HydrophobicContact CD2-CD1 4.09Å; Y190-L403 HydrophobicContact CE1-CD1 3.81Å; Y190-L403 HydrophobicContact CE2-CB 3.52Å; Y190-L403 HydrophobicContact CE2-CD1 3.96Å; Y190-L403 HydrophobicContact CE2-CG 4.26Å; Y190-L403 HydrophobicContact CG-CD1 4.11Å; V399-L403 HydrophobicContact CG1-CD1 4.15Å; V399-L403 WeakPolarHBondContact O-CG 3.3Å; V399-L403 PolarHBondContact O-N 2.81Å; K400-L403 PolarHBondContact O-N 2.64Å; R401-L403 VanDerWaalsContact C-N 3.34Å
404E84.6Confident89.6Confident73 Ų7318.7 Ų18.734%0.34110%0.099SC..Hα-helixtrans-75.8-40.5178.4-72.8175.1169.900112.3K400 R401 V402K400-E404 WeakPolarHBondContact CE-OE1 3.34Å; K400-E404 HydrophobicContact CG-CG 4.46Å; K400-E404 WeakPolarHBondContact O-CG 3.36Å; K400-E404 PolarHBondContact O-N 3.02Å; R401-E404 IonicContact CZ-OE2 2.66Å; R401-E404 IonicContact NH1-OE2 3.04Å; R401-E404 PolarHBondContact NH1-OE2 3.35Å; R401-E404 PolarHBondContact O-N 2.87Å; V402-E404 PolarHBondContact O-N 2.91Å
405S82Confident89.8Confident42 Ų4218.4 Ų18.429%0.29410%0.097SC..Hα-helixtrans-94.3-19.8-172.4-170.10000114.3R401 S407R401-S405 VanDerWaalsContact O-CB 3.3Å; R401-S405 WeakPolarHBondContact O-CB 3.33Å; R401-S405 PolarHBondContact O-N 3.4Å; S405-S407 PolarHBondContact O-N 3.37Å; S405-S407 PolarHBondContact O-OG 3.27Å; S405-S407 VanDerWaalsContact O-OG 3.06Å
406K83.8Confident90Very high99 Ų9918.9 Ų18.943%0.4310%0.099SC..  trans52.214.3-174.2-64.9-174.5158.3-133.70116.2N139 T140 D141 V402N139-K406 PolarHBondContact OD1-O 3.03Å; T140-K406 PolarHBondContact N-O 2.98Å; T140-K406 VanDerWaalsContact N-O 3.12Å; T140-K406 VanDerWaalsContact OG1-CA 3.24Å; T140-K406 WeakPolarHBondContact OG1-CA 3.32Å; T140-K406 PolarHBondContact OG1-O 3.37Å; D141-K406 VanDerWaalsContact CG-NZ 3.33Å; D141-K406 IonicContact OD1-NZ 3.71Å; D141-K406 PolarHBondContact OD1-NZ 3.38Å; D141-K406 IonicContact OD2-NZ 2.74Å; D141-K406 PolarHBondContact OD2-NZ 3.47Å; V402-K406 WeakPolarHBondContact O-CA 3.47Å; V402-K406 PolarHBondContact O-N 3.16Å
407S87.6Confident90Very high26 Ų2618.8 Ų18.818%0.18210%0.099CC..EExtended strand (participates in β ladder)trans-130.1126.4-172.8-56.40000108.7S405 T507S405-S407 PolarHBondContact O-N 3.37Å; S405-S407 PolarHBondContact O-OG 3.27Å; S405-S407 VanDerWaalsContact O-OG 3.06Å; S407-T507 WeakPolarHBondContact CB-OG1 3.23Å; S407-T507 PolarHBondContact O-N 3.45Å; S407-T507 PolarHBondContact O-OG1 2.9Å; S407-T507 VanDerWaalsContact O-OG1 3.13Å
408V91.3Very high90.2Very high0 Ų018.2 Ų18.20%010%0.095CC..EExtended strand (participates in β ladder)trans-125.6157.3175.1-64.70000110V138 T140 V402 F504 E505 T507V138-V408 HydrophobicContact CB-CG2 4.11Å; V138-V408 PolarHBondContact N-O 3.05Å; V138-V408 WeakPolarHBondContact O-CG2 3.42Å; V138-V408 PolarHBondContact O-N 3.31Å; T140-V408 HydrophobicContact CG2-CG1 3.84Å; T140-V408 HydrophobicContact CG2-CG2 4.41Å; V402-V408 HydrophobicContact CG1-CG1 3.89Å; V402-V408 HydrophobicContact CG2-CG1 3.97Å; V408-F504 HydrophobicContact CB-CB 4.27Å; V408-F504 HydrophobicContact CB-CD1 4.45Å; V408-F504 HydrophobicContact CG2-CB 4.4Å; V408-F504 HydrophobicContact CG2-CD1 3.91Å; V408-F504 HydrophobicContact CG2-CE1 4.49Å; V408-F504 HydrophobicContact CG2-CG 4.25Å; V408-E505 CarbonylContact C-O 3.58Å; V408-E505 WeakPolarHBondContact CA-O 3.26Å; V408-T507 PolarHBondContact N-OG1 3.34Å
409V92.6Very high90.4Very high0 Ų018.2 Ų18.20%010%0.095CC..EExtended strand (participates in β ladder)trans-125.6151.6174.2-63.60000108.9I132 L136 G411 V415 E505 T507 K510I132-V409 HydrophobicContact CG2-CG1 4.09Å; L136-V409 HydrophobicContact CB-CG1 4.26Å; V409-G411 PolarHBondContact O-N 3.32Å; V409-V415 HydrophobicContact CB-CG2 3.82Å; V409-V415 HydrophobicContact CG2-CG2 3.8Å; V409-E505 HydrophobicContact CG2-CB 4.37Å; V409-E505 WeakPolarHBondContact CG2-O 3.29Å; V409-E505 PolarHBondContact N-O 2.96Å; V409-E505 PolarHBondContact O-N 3.28Å; V409-T507 HydrophobicContact CG1-CG2 4.14Å; V409-K510 HydrophobicContact CG2-CG 3.83Å
410P92.1Very high90.5Very high0 Ų018.2 Ų18.20%010%0.095CC..EExtended strand (participates in β ladder)trans-65.2134.3174.4-2639.1000111.6A414 V415 W485 N498 V503P410-A414 HydrophobicContact CB-CB 4.25Å; P410-V415 WeakPolarHBondContact O-CG2 3.25Å; P410-W485 HydrophobicContact CG-CB 4.36Å; P410-W485 HydrophobicContact CG-CD2 4Å; P410-W485 HydrophobicContact CG-CE3 3.34Å; P410-W485 HydrophobicContact CG-CG 4.48Å; P410-W485 HydrophobicContact CG-CZ3 3.76Å; P410-N498 HydrophobicContact CB-CB 4Å; P410-V503 WeakPolarHBondContact CA-O 3.03Å
411G90.7Very high90.7Very high0 Ų016.7 Ų16.70%09%0.089CC..THydrogen-bonded Turntrans-83.5-161.3178.300000113.2V409 A414 N498 V503 E505V409-G411 PolarHBondContact O-N 3.32Å; G411-A414 WeakPolarHBondContact O-CB 3.11Å; G411-N498 PolarHBondContact O-ND2 3.21Å; G411-V503 PolarHBondContact N-O 3.32Å; G411-E505 VanDerWaalsContact CA-OE1 3.28Å; G411-E505 WeakPolarHBondContact CA-OE1 3.4Å
412G88.4Confident91Very high16 Ų1617.4 Ų17.417%0.1659%0.092CC..THydrogen-bonded Turntrans69.834.2169.500000115.1A414 L488G412-A414 VanDerWaalsContact C-N 3.31Å; G412-A414 PolarHBondContact O-N 3.03Å; G412-L488 PolarHBondContact O-N 2.89Å
413G91.9Very high91.2Very high1 Ų117.3 Ų17.31%0.019%0.091CC..THydrogen-bonded Turntrans83.5-1.4178.200000115.2E416 A417G413-E416 VanDerWaalsContact C-OE2 3.31Å; G413-E416 WeakPolarHBondContact CA-OE2 3.38Å; G413-A417 WeakPolarHBondContact O-CB 3.28Å; G413-A417 PolarHBondContact O-N 3.35Å; G413-A417 VanDerWaalsContact O-N 3.1Å
414A92.9Very high91.4Very high1 Ų118.1 Ų18.11%0.0089%0.094CC..Hα-helixtrans-64.3-45.8-177.500000112.2P410 G411 G412 A417 A418 H471 I486P410-A414 HydrophobicContact CB-CB 4.25Å; G411-A414 WeakPolarHBondContact O-CB 3.11Å; G412-A414 VanDerWaalsContact C-N 3.31Å; G412-A414 PolarHBondContact O-N 3.03Å; A414-A417 PolarHBondContact O-N 3.39Å; A414-A418 WeakPolarHBondContact O-CB 3.24Å; A414-A418 PolarHBondContact O-N 2.72Å; A414-H471 PolarHBondContact O-CE1 3.33Å; A414-H471 PolarHBondContact O-NE2 3.06Å; A414-I486 WeakPolarHBondContact CA-O 3.42Å; A414-I486 WeakPolarHBondContact CB-O 3.46Å
415V94.4Very high91.8Very high2 Ų218.7 Ų18.71%0.01210%0.099CC..Hα-helixtrans-64.2-44.8179.6172.90000110.6I132 L136 V409 P410 A417 A418 L419 K510I132-V415 HydrophobicContact CD1-CG1 4.3Å; I132-V415 HydrophobicContact CG1-CG1 4.24Å; L136-V415 HydrophobicContact CD1-CB 4.46Å; L136-V415 HydrophobicContact CD1-CG1 4.15Å; L136-V415 HydrophobicContact CD1-CG2 4.29Å; V409-V415 HydrophobicContact CB-CG2 3.82Å; V409-V415 HydrophobicContact CG2-CG2 3.8Å; P410-V415 WeakPolarHBondContact O-CG2 3.25Å; V415-A417 PolarHBondContact O-N 2.96Å; V415-A418 PolarHBondContact O-N 3.13Å; V415-L419 HydrophobicContact CG1-CD1 3.78Å; V415-L419 HydrophobicContact CG1-CG 4.31Å; V415-L419 WeakPolarHBondContact O-CB 3.33Å; V415-L419 WeakPolarHBondContact O-CG 3.38Å; V415-L419 PolarHBondContact O-N 2.96Å; V415-K510 HydrophobicContact CG1-CG 4.44Å
416E95.3Very high92.3Very high9 Ų918.7 Ų18.74%0.0429%0.093CC..Hα-helixtrans-63.2-40.8-179.5-66.782.9-177.800112G413 S420 L445 I448 K510G413-E416 VanDerWaalsContact C-OE2 3.31Å; G413-E416 WeakPolarHBondContact CA-OE2 3.38Å; E416-S420 VanDerWaalsContact O-CB 3.32Å; E416-S420 WeakPolarHBondContact O-CB 3.22Å; E416-S420 PolarHBondContact O-N 3.46Å; E416-L445 HydrophobicContact CB-CB 4.26Å; E416-L445 WeakPolarHBondContact CB-O 3.44Å; E416-I448 HydrophobicContact CG-CB 4.05Å; E416-I448 HydrophobicContact CG-CG1 4.25Å; E416-I448 HydrophobicContact CG-CG2 4.32Å; E416-K510 WeakPolarHBondContact OE1-CE 3.34Å; E416-K510 IonicContact OE1-NZ 3Å; E416-K510 PolarHBondContact OE1-NZ 3.25Å; E416-K510 IonicContact OE2-NZ 2.96Å
417A93.8Very high92.7Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-68.4-42.9176.800000112.8G413 A414 V415 L419 S420 I421 L467G413-A417 WeakPolarHBondContact O-CB 3.28Å; G413-A417 PolarHBondContact O-N 3.35Å; G413-A417 VanDerWaalsContact O-N 3.1Å; A414-A417 PolarHBondContact O-N 3.39Å; V415-A417 PolarHBondContact O-N 2.96Å; A417-L419 VanDerWaalsContact C-N 3.33Å; A417-L419 PolarHBondContact O-N 3.33Å; A417-S420 PolarHBondContact O-N 2.84Å; A417-I421 PolarHBondContact O-N 3.3Å; A417-L467 HydrophobicContact CB-CD2 3.39Å; A417-L467 HydrophobicContact CB-CG 3.65Å
418A93.5Very high92.8Very high0 Ų017.6 Ų17.60%09%0.094CC..Hα-helixtrans-59.9-45.3175.900000111.4Y131 L136 A414 V415 Y422 H471 Q475Y131-A418 HydrophobicContact CE1-CB 4.04Å; L136-A418 HydrophobicContact CD1-CB 4.13Å; L136-A418 HydrophobicContact CD2-CB 4.24Å; A414-A418 WeakPolarHBondContact O-CB 3.24Å; A414-A418 PolarHBondContact O-N 2.72Å; V415-A418 PolarHBondContact O-N 3.13Å; A418-Y422 WeakPolarHBondContact O-CB 3.22Å; A418-Y422 PolarHBondContact O-N 3.42Å; A418-Y422 VanDerWaalsContact O-N 3.08Å; A418-H471 WeakPolarHBondContact CB-ND1 3.45Å; A418-Q475 PolarHBondContact O-NE2 3.36Å
419L94.9Very high92.6Very high1 Ų121.5 Ų21.51%0.00512%0.122CC..Hα-helixtrans-66.1-39.1177.9-72.1175.2000112.3A128 Y131 I132 V415 A417 Y422 L423 L445 L514A128-L419 HydrophobicContact CB-CD1 4.31Å; A128-L419 HydrophobicContact CB-CD2 3.77Å; Y131-L419 HydrophobicContact CD1-CD2 3.75Å; Y131-L419 HydrophobicContact CG-CD2 4.35Å; I132-L419 HydrophobicContact CD1-CD1 4.09Å; I132-L419 HydrophobicContact CG1-CD1 4.26Å; I132-L419 HydrophobicContact CG1-CD2 4.24Å; V415-L419 HydrophobicContact CG1-CD1 3.78Å; V415-L419 HydrophobicContact CG1-CG 4.31Å; V415-L419 WeakPolarHBondContact O-CB 3.33Å; V415-L419 WeakPolarHBondContact O-CG 3.38Å; V415-L419 PolarHBondContact O-N 2.96Å; A417-L419 VanDerWaalsContact C-N 3.33Å; A417-L419 PolarHBondContact O-N 3.33Å; L419-Y422 PolarHBondContact O-N 2.89Å; L419-L423 HydrophobicContact CB-CD1 4.33Å; L419-L423 VanDerWaalsContact O-CB 3.22Å; L419-L423 WeakPolarHBondContact O-CB 3.35Å; L419-L423 WeakPolarHBondContact O-CD1 3.41Å; L419-L423 VanDerWaalsContact O-CG 3.24Å; L419-L423 WeakPolarHBondContact O-CG 3.26Å; L419-L423 PolarHBondContact O-N 2.86Å; L419-L445 HydrophobicContact CB-CD1 3.57Å; L419-L445 HydrophobicContact CD1-CD1 4.13Å; L419-L514 HydrophobicContact CD1-CD1 3.92Å
420S95.4Very high92.2Very high0 Ų024 Ų240%013%0.134CC..Hα-helixtrans-56.7-52.6177.9-174.30000111.4E416 A417 Y422 E424 A442 L446E416-S420 VanDerWaalsContact O-CB 3.32Å; E416-S420 WeakPolarHBondContact O-CB 3.22Å; E416-S420 PolarHBondContact O-N 3.46Å; A417-S420 PolarHBondContact O-N 2.84Å; S420-Y422 PolarHBondContact O-N 3.29Å; S420-E424 WeakPolarHBondContact O-CB 3.45Å; S420-E424 VanDerWaalsContact O-CG 3.28Å; S420-E424 WeakPolarHBondContact O-CG 3.39Å; S420-E424 PolarHBondContact O-N 2.83Å; S420-E424 VanDerWaalsContact O-N 3.08Å; S420-A442 WeakPolarHBondContact CB-O 3.45Å; S420-A442 WeakPolarHBondContact O-CB 3.26Å; S420-A442 PolarHBondContact OG-O 3.21Å; S420-L446 WeakPolarHBondContact OG-CG 3.22Å
421I94Very high91.3Very high9 Ų927.8 Ų27.85%0.04617%0.173CC..Hα-helixtrans-66.5-42.3179.2-58-60.1000111.8A417 L423 E424 N425 R468 H471 N472A417-I421 PolarHBondContact O-N 3.3Å; I421-L423 PolarHBondContact O-N 3.01Å; I421-E424 PolarHBondContact O-N 3.21Å; I421-N425 PolarHBondContact O-N 3.25Å; I421-N425 VanDerWaalsContact O-N 3.1Å; I421-N425 PolarHBondContact O-ND2 2.89Å; I421-R468 HydrophobicContact CD1-CB 4.11Å; I421-R468 HydrophobicContact CD1-CG 4.17Å; I421-H471 HydrophobicContact CG1-CB 4.47Å; I421-N472 HydrophobicContact CG2-CB 4.15Å
422Y94Very high90.8Very high50 Ų5030.7 Ų30.720%0.19619%0.193CC..Hα-helixtrans-62.8-45.8-178.1178.3-110.6000111.9E127 Y131 A418 L419 S420 N425 Y426E127-Y422 HydrophobicContact CG-CE1 3.8Å; E127-Y422 WeakPolarHBondContact OE1-CE1 2.8Å; E127-Y422 PolarHBondContact OE1-OH 2.91Å; Y131-Y422 AromaticContact CD2-CD1 3.66Å; Y131-Y422 HydrophobicContact CD2-CD1 3.66Å; Y131-Y422 AromaticContact CD2-CD2 3.58Å; Y131-Y422 HydrophobicContact CD2-CD2 3.58Å; Y131-Y422 AromaticContact CD2-CE1 3.77Å; Y131-Y422 HydrophobicContact CD2-CE1 3.77Å; Y131-Y422 AromaticContact CD2-CE2 3.72Å; Y131-Y422 HydrophobicContact CD2-CE2 3.72Å; Y131-Y422 AromaticContact CD2-CG 3.56Å; Y131-Y422 HydrophobicContact CD2-CG 3.56Å; Y131-Y422 AromaticContact CD2-CZ 3.82Å; Y131-Y422 HydrophobicContact CE2-CD1 4.4Å; Y131-Y422 AromaticContact CE2-CD2 3.69Å; Y131-Y422 HydrophobicContact CE2-CD2 3.69Å; Y131-Y422 HydrophobicContact CE2-CE2 4.13Å; Y131-Y422 AromaticContact CE2-CG 3.85Å; Y131-Y422 HydrophobicContact CE2-CG 3.85Å; Y131-Y422 AromaticContact CG-CD1 3.73Å; Y131-Y422 HydrophobicContact CG-CD1 3.73Å; Y131-Y422 HydrophobicContact CG-CD2 4.45Å; Y131-Y422 AromaticContact CG-CE1 3.97Å; Y131-Y422 HydrophobicContact CG-CE1 3.97Å; Y131-Y422 AromaticContact CG-CG 3.99Å; Y131-Y422 HydrophobicContact CG-CG 3.99Å; A418-Y422 WeakPolarHBondContact O-CB 3.22Å; A418-Y422 PolarHBondContact O-N 3.42Å; A418-Y422 VanDerWaalsContact O-N 3.08Å; L419-Y422 PolarHBondContact O-N 2.89Å; S420-Y422 PolarHBondContact O-N 3.29Å; Y422-N425 PolarHBondContact O-N 2.7Å; Y422-Y426 WeakPolarHBondContact O-CB 3.44Å; Y422-Y426 PolarHBondContact O-N 3.26Å
423L94.8Very high90.5Very high0 Ų038 Ų380%022%0.216CC..Hα-helixtrans-71.2-32.6-179-71.1166000112.1A124 E127 A128 L419 I421 Y426 A427 I438 F441 A442 L445A124-L423 HydrophobicContact CB-CD2 4.19Å; E127-L423 HydrophobicContact CB-CD2 4.17Å; E127-L423 HydrophobicContact CG-CD2 4.29Å; A128-L423 HydrophobicContact CB-CD1 4.2Å; L419-L423 HydrophobicContact CB-CD1 4.33Å; L419-L423 VanDerWaalsContact O-CB 3.22Å; L419-L423 WeakPolarHBondContact O-CB 3.35Å; L419-L423 WeakPolarHBondContact O-CD1 3.41Å; L419-L423 VanDerWaalsContact O-CG 3.24Å; L419-L423 WeakPolarHBondContact O-CG 3.26Å; L419-L423 PolarHBondContact O-N 2.86Å; I421-L423 PolarHBondContact O-N 3.01Å; L423-Y426 PolarHBondContact O-N 3.2Å; L423-A427 VanDerWaalsContact O-CB 3.27Å; L423-A427 WeakPolarHBondContact O-CB 3.24Å; L423-A427 PolarHBondContact O-N 3.14Å; L423-I438 HydrophobicContact CB-CG2 4.31Å; L423-I438 HydrophobicContact CD2-CG2 4.38Å; L423-I438 WeakPolarHBondContact O-CG2 3.27Å; L423-F441 HydrophobicContact CD1-CD1 3.84Å; L423-F441 HydrophobicContact CD1-CE1 4.05Å; L423-A442 HydrophobicContact CB-CB 3.58Å; L423-A442 HydrophobicContact CD1-CB 4.46Å; L423-L445 HydrophobicContact CD1-CD1 4.02Å
424E92.6Very high90.2Very high51 Ų5140.8 Ų40.824%0.23823%0.229CC..Hα-helixtrans-62.8-44.6171.7-77.3174.6164.600111.5S420 I421 A427 T428 A442 R468S420-E424 WeakPolarHBondContact O-CB 3.45Å; S420-E424 VanDerWaalsContact O-CG 3.28Å; S420-E424 WeakPolarHBondContact O-CG 3.39Å; S420-E424 PolarHBondContact O-N 2.83Å; S420-E424 VanDerWaalsContact O-N 3.08Å; I421-E424 PolarHBondContact O-N 3.21Å; E424-A427 WeakPolarHBondContact O-CB 3.4Å; E424-A427 PolarHBondContact O-N 3.2Å; E424-T428 PolarHBondContact O-N 3.3Å; E424-T428 PolarHBondContact O-OG1 3.46Å; E424-A442 HydrophobicContact CG-CB 3.88Å; E424-R468 IonicContact OE1-CZ 2.75Å; E424-R468 IonicContact OE1-NH2 3.57Å; E424-R468 PolarHBondContact OE1-NH2 2.91Å; E424-R468 IonicContact OE2-CZ 2.63Å; E424-R468 IonicContact OE2-NH2 3.77Å; E424-R468 PolarHBondContact OE2-NH2 2.96Å
425N91.7Very high90.2Very high86 Ų8643.9 Ų43.946%0.4624%0.243SC..Hα-helixtrans-64.9-43.4175.7-71.2-30.9000111.5I421 Y422 A427 T428 S429I421-N425 PolarHBondContact O-N 3.25Å; I421-N425 VanDerWaalsContact O-N 3.1Å; I421-N425 PolarHBondContact O-ND2 2.89Å; Y422-N425 PolarHBondContact O-N 2.7Å; N425-A427 VanDerWaalsContact C-N 3.34Å; N425-A427 PolarHBondContact O-N 2.92Å; N425-T428 WeakPolarHBondContact O-CB 3.35Å; N425-T428 PolarHBondContact O-N 3.4Å; N425-S429 PolarHBondContact O-N 2.92Å
426Y92Very high90.1Very high41 Ų4147.6 Ų47.616%0.16126%0.262CS..Hα-helixtrans-63.4-38.7175.2-178-104.4000112.3L123 E127 Y422 L423 T428 S429 M430 I438L123-Y426 HydrophobicContact CD2-CE1 4.35Å; L123-Y426 HydrophobicContact CG-CE1 4.24Å; E127-Y426 HydrophobicContact CB-CE1 4.25Å; E127-Y426 HydrophobicContact CG-CD1 3.87Å; E127-Y426 HydrophobicContact CG-CD2 4.15Å; E127-Y426 HydrophobicContact CG-CE1 3.84Å; E127-Y426 HydrophobicContact CG-CE2 4.12Å; E127-Y426 HydrophobicContact CG-CG 4.01Å; Y422-Y426 WeakPolarHBondContact O-CB 3.44Å; Y422-Y426 PolarHBondContact O-N 3.26Å; L423-Y426 PolarHBondContact O-N 3.2Å; Y426-T428 PolarHBondContact O-N 3.32Å; Y426-S429 WeakPolarHBondContact O-CB 3.19Å; Y426-S429 PolarHBondContact O-N 3.42Å; Y426-S429 VanDerWaalsContact O-N 3.07Å; Y426-S429 PolarHBondContact O-OG 2.93Å; Y426-M430 HydrophobicContact CE1-CE 3.93Å; Y426-M430 HydrophobicContact CE1-CG 4.48Å; Y426-M430 HydrophobicContact CE2-CE 3.85Å; Y426-M430 PolarHBondContact O-N 3.08Å; Y426-M430 VanDerWaalsContact OH-CE 3.23Å; Y426-M430 WeakPolarHBondContact OH-CE 3.28Å; Y426-I438 HydrophobicContact CD1-CD1 4.34Å; Y426-I438 HydrophobicContact CD1-CG2 4.35Å; Y426-I438 HydrophobicContact CE1-CD1 4.26Å
427A92.3Very high90Very high2 Ų247.3 Ų47.32%0.01726%0.261CS..Hα-helixtrans-57.7-40.417500000110.8L423 E424 N425 S429 M430 Q435 I438 A439L423-A427 VanDerWaalsContact O-CB 3.27Å; L423-A427 WeakPolarHBondContact O-CB 3.24Å; L423-A427 PolarHBondContact O-N 3.14Å; E424-A427 WeakPolarHBondContact O-CB 3.4Å; E424-A427 PolarHBondContact O-N 3.2Å; N425-A427 VanDerWaalsContact C-N 3.34Å; N425-A427 PolarHBondContact O-N 2.92Å; A427-S429 PolarHBondContact O-N 3.45Å; A427-M430 CarbonylContact O-C 3.51Å; A427-M430 WeakPolarHBondContact O-CA 3.26Å; A427-M430 WeakPolarHBondContact O-CB 3.49Å; A427-M430 PolarHBondContact O-N 3.5Å; A427-Q435 HydrophobicContact CB-CG 4.19Å; A427-Q435 VanDerWaalsContact O-CG 3.28Å; A427-Q435 WeakPolarHBondContact O-CG 3.23Å; A427-I438 HydrophobicContact CB-CB 3.86Å; A427-I438 HydrophobicContact CB-CG2 3.77Å; A427-A439 HydrophobicContact CB-CB 4.36Å
428T89.8Confident90.1Very high100 Ų10047.3 Ų47.361%0.61326%0.261SS*.Hα-helixtrans-65.2-27.7178.5-53.70000113.2E424 N425 Y426 M430E424-T428 PolarHBondContact O-N 3.3Å; E424-T428 PolarHBondContact O-OG1 3.46Å; N425-T428 WeakPolarHBondContact O-CB 3.35Å; N425-T428 PolarHBondContact O-N 3.4Å; Y426-T428 PolarHBondContact O-N 3.32Å; T428-M430 PolarHBondContact O-N 3.11Å
429S88.7Confident90.1Very high83 Ų8348.7 Ų48.758%0.5827%0.273SS*.Hα-helixtrans-72.4-16.9172.276.90000113.3N425 Y426 A427N425-S429 PolarHBondContact O-N 2.92Å; Y426-S429 WeakPolarHBondContact O-CB 3.19Å; Y426-S429 PolarHBondContact O-N 3.42Å; Y426-S429 VanDerWaalsContact O-N 3.07Å; Y426-S429 PolarHBondContact O-OG 2.93Å; A427-S429 PolarHBondContact O-N 3.45Å
430M83.3Confident90.1Very high51 Ų5150.3 Ų50.325%0.25128%0.281SS..  trans-92.6121.2172.7-62-64.7157.900109L123 Y426 A427 T428 Q435 I438L123-M430 HydrophobicContact CD2-CE 4.47Å; Y426-M430 HydrophobicContact CE1-CE 3.93Å; Y426-M430 HydrophobicContact CE1-CG 4.48Å; Y426-M430 HydrophobicContact CE2-CE 3.85Å; Y426-M430 PolarHBondContact O-N 3.08Å; Y426-M430 VanDerWaalsContact OH-CE 3.23Å; Y426-M430 WeakPolarHBondContact OH-CE 3.28Å; A427-M430 CarbonylContact O-C 3.51Å; A427-M430 WeakPolarHBondContact O-CA 3.26Å; A427-M430 WeakPolarHBondContact O-CB 3.49Å; A427-M430 PolarHBondContact O-N 3.5Å; T428-M430 PolarHBondContact O-N 3.11Å; M430-Q435 WeakPolarHBondContact O-CB 3.28Å; M430-Q435 PolarHBondContact O-OE1 3.2Å; M430-I438 HydrophobicContact CG-CD1 4.04Å
431G72.7Confident90.1Very high80 Ų8050.3 Ų50.383%0.82528%0.281SS*.  trans-90.12.5-177.100000115.7
432S80.8Confident90.2Very high61 Ų6149.9 Ų49.943%0.42728%0.278SS..SBendtrans-108.9180-168.1610000113E434 Q435S432-E434 WeakPolarHBondContact CB-OE2 3.32Å; S432-E434 PolarHBondContact O-N 3.23Å; S432-E434 VanDerWaalsContact O-N 3.07Å; S432-E434 PolarHBondContact OG-OE2 3.3Å; S432-Q435 WeakPolarHBondContact O-CB 3.3Å; S432-Q435 PolarHBondContact O-N 3.4Å
433R81.9Confident90.2Very high170 Ų17054.5 Ų54.564%0.64230%0.295SS*.THydrogen-bonded Turntrans-58.5-23.8-179.1-69.2-178.8179.7174-1.2113.1Q435 L436R433-Q435 PolarHBondContact O-N 2.91Å; R433-L436 PolarHBondContact O-N 3.44Å
434E85.4Confident90.3Very high59 Ų5954.5 Ų54.528%0.27630%0.295SS..Hα-helixtrans-61.9-24.5173.2-65.480.8-179.900112.8S432 L436 A437 I438S432-E434 WeakPolarHBondContact CB-OE2 3.32Å; S432-E434 PolarHBondContact O-N 3.23Å; S432-E434 VanDerWaalsContact O-N 3.07Å; S432-E434 PolarHBondContact OG-OE2 3.3Å; E434-L436 VanDerWaalsContact C-N 3.31Å; E434-L436 PolarHBondContact O-N 3.05Å; E434-A437 PolarHBondContact O-N 3.03Å; E434-I438 WeakPolarHBondContact O-CG1 3.5Å; E434-I438 PolarHBondContact O-N 3.16Å
435Q92.7Very high90.5Very high67 Ų6752.1 Ų52.131%0.31328%0.284SS..Hα-helixtrans-53.7-48.8174.2175.6174.715.900111.4A427 M430 S432 R433 A437 I438 A439A427-Q435 HydrophobicContact CB-CG 4.19Å; A427-Q435 VanDerWaalsContact O-CG 3.28Å; A427-Q435 WeakPolarHBondContact O-CG 3.23Å; M430-Q435 WeakPolarHBondContact O-CB 3.28Å; M430-Q435 PolarHBondContact O-OE1 3.2Å; S432-Q435 WeakPolarHBondContact O-CB 3.3Å; S432-Q435 PolarHBondContact O-N 3.4Å; R433-Q435 PolarHBondContact O-N 2.91Å; Q435-A437 VanDerWaalsContact C-N 3.31Å; Q435-A437 PolarHBondContact O-N 3.4Å; Q435-I438 PolarHBondContact O-N 3.21Å; Q435-A439 WeakPolarHBondContact O-CB 2.93Å; Q435-A439 PolarHBondContact O-N 2.77Å
436L92.2Very high90.6Very high80 Ų8048.6 Ų48.642%0.41927%0.265SS..Hα-helixtrans-63.8-39.6-178.7-63175000111.2L107 I112 R433 E434 A439 E440L107-L436 HydrophobicContact CD2-CB 4.05Å; I112-L436 HydrophobicContact CD1-CB 4.4Å; I112-L436 HydrophobicContact CD1-CD1 3.69Å; R433-L436 PolarHBondContact O-N 3.44Å; E434-L436 VanDerWaalsContact C-N 3.31Å; E434-L436 PolarHBondContact O-N 3.05Å; L436-A439 PolarHBondContact O-N 2.93Å; L436-E440 WeakPolarHBondContact O-CB 3.34Å; L436-E440 WeakPolarHBondContact O-CG 3.17Å; L436-E440 PolarHBondContact O-N 3.2Å
437A93.9Very high90.8Very high2 Ų247.3 Ų47.32%0.01726%0.262CS..Hα-helixtrans-65.1-41.2176.400000112.1L107 V117 Y121 E434 Q435 F441L107-A437 HydrophobicContact CD1-CB 4.31Å; V117-A437 HydrophobicContact CG1-CB 4.26Å; Y121-A437 HydrophobicContact CD1-CB 4.36Å; Y121-A437 WeakPolarHBondContact CD1-O 3.32Å; Y121-A437 HydrophobicContact CE1-CB 4.41Å; Y121-A437 WeakPolarHBondContact CE1-O 3.31Å; E434-A437 PolarHBondContact O-N 3.03Å; Q435-A437 VanDerWaalsContact C-N 3.31Å; Q435-A437 PolarHBondContact O-N 3.4Å; A437-F441 WeakPolarHBondContact O-CB 3.46Å; A437-F441 PolarHBondContact O-N 3.29Å
438I95.1Very high91Very high0 Ų047.5 Ų47.50%026%0.262CS..Hα-helixtrans-68-41.4177-60.9164.8000110.7L123 A124 L423 Y426 A427 M430 E434 Q435 F441 A442L123-I438 HydrophobicContact CD2-CD1 4.14Å; A124-I438 HydrophobicContact CB-CB 4.49Å; A124-I438 HydrophobicContact CB-CG1 4.26Å; A124-I438 HydrophobicContact CB-CG2 4.1Å; L423-I438 HydrophobicContact CB-CG2 4.31Å; L423-I438 HydrophobicContact CD2-CG2 4.38Å; L423-I438 WeakPolarHBondContact O-CG2 3.27Å; Y426-I438 HydrophobicContact CD1-CD1 4.34Å; Y426-I438 HydrophobicContact CD1-CG2 4.35Å; Y426-I438 HydrophobicContact CE1-CD1 4.26Å; A427-I438 HydrophobicContact CB-CB 3.86Å; A427-I438 HydrophobicContact CB-CG2 3.77Å; M430-I438 HydrophobicContact CG-CD1 4.04Å; E434-I438 WeakPolarHBondContact O-CG1 3.5Å; E434-I438 PolarHBondContact O-N 3.16Å; Q435-I438 PolarHBondContact O-N 3.21Å; I438-F441 WeakPolarHBondContact O-CB 3.47Å; I438-F441 PolarHBondContact O-N 3.34Å; I438-A442 WeakPolarHBondContact O-CB 3.41Å; I438-A442 PolarHBondContact O-N 2.94Å
439A94.3Very high91.2Very high30 Ų3042.8 Ų42.825%0.24823%0.233CC..Hα-helixtrans-60.8-45.417700000111.7A427 Q435 L436 A442 R443A427-A439 HydrophobicContact CB-CB 4.36Å; Q435-A439 WeakPolarHBondContact O-CB 2.93Å; Q435-A439 PolarHBondContact O-N 2.77Å; L436-A439 PolarHBondContact O-N 2.93Å; A439-A442 WeakPolarHBondContact O-CB 3.45Å; A439-A442 PolarHBondContact O-N 3.02Å; A439-R443 PolarHBondContact O-N 3.1Å
440E95Very high91.5Very high35 Ų3541.3 Ų41.316%0.16422%0.219CC..Hα-helixtrans-68.7-33.7176.5-73.1-52.114400113N103 L107 L436 A442 R443 S444N103-E440 HydrophobicContact CB-CB 4.13Å; L107-E440 HydrophobicContact CD1-CB 4.07Å; L107-E440 HydrophobicContact CD1-CG 3.93Å; L107-E440 HydrophobicContact CD2-CG 3.9Å; L107-E440 HydrophobicContact CG-CG 4.02Å; L436-E440 WeakPolarHBondContact O-CB 3.34Å; L436-E440 WeakPolarHBondContact O-CG 3.17Å; L436-E440 PolarHBondContact O-N 3.2Å; E440-A442 VanDerWaalsContact C-N 3.33Å; E440-R443 PolarHBondContact O-N 3.32Å; E440-S444 WeakPolarHBondContact O-CB 3.41Å; E440-S444 PolarHBondContact O-N 2.97Å; E440-S444 PolarHBondContact O-OG 3.07Å
441F96Very high92.1Very high0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-59.5-46.8169.7-172.7-80.5000110.7L100 Y121 A124 C125 L423 A437 I438 R443 S444 L445 T518L100-F441 HydrophobicContact CD1-CD2 4.41Å; L100-F441 HydrophobicContact CD1-CE2 4.01Å; L100-F441 HydrophobicContact CD2-CB 4.37Å; L100-F441 HydrophobicContact CD2-CD2 3.35Å; L100-F441 HydrophobicContact CD2-CE2 3.76Å; L100-F441 HydrophobicContact CD2-CG 3.98Å; Y121-F441 HydrophobicContact CD1-CB 3.83Å; Y121-F441 AromaticContact CD1-CD2 3.79Å; Y121-F441 HydrophobicContact CD1-CD2 3.79Å; Y121-F441 HydrophobicContact CD1-CG 4.3Å; Y121-F441 HydrophobicContact CE1-CB 3.9Å; Y121-F441 HydrophobicContact CE1-CD2 4.32Å; Y121-F441 AromaticContact CG-CD2 3.92Å; Y121-F441 HydrophobicContact CG-CD2 3.92Å; A124-F441 HydrophobicContact CB-CB 4.01Å; A124-F441 HydrophobicContact CB-CD1 3.69Å; A124-F441 HydrophobicContact CB-CD2 4.19Å; A124-F441 HydrophobicContact CB-CE1 4.18Å; A124-F441 HydrophobicContact CB-CG 3.69Å; C125-F441 HydrophobicContact CB-CZ 4.31Å; L423-F441 HydrophobicContact CD1-CD1 3.84Å; L423-F441 HydrophobicContact CD1-CE1 4.05Å; A437-F441 WeakPolarHBondContact O-CB 3.46Å; A437-F441 PolarHBondContact O-N 3.29Å; I438-F441 WeakPolarHBondContact O-CB 3.47Å; I438-F441 PolarHBondContact O-N 3.34Å; F441-R443 VanDerWaalsContact C-N 3.34Å; F441-R443 PolarHBondContact O-N 3.39Å; F441-S444 WeakPolarHBondContact O-CB 3.32Å; F441-S444 PolarHBondContact O-N 2.93Å; F441-L445 HydrophobicContact CD1-CD1 4.45Å; F441-L445 HydrophobicContact CE1-CD1 4.17Å; F441-L445 HydrophobicContact CE1-CD2 4.32Å; F441-L445 HydrophobicContact CE1-CG 4.4Å; F441-L445 PolarHBondContact O-N 3.44Å; F441-T518 HydrophobicContact CE2-CG2 4.43Å; F441-T518 WeakPolarHBondContact CE2-OG1 3.49Å
442A95.5Very high93.1Very high0 Ų036.4 Ų36.40%018%0.175CC..Hα-helixtrans-62.7-39.4179.300000112.6S420 L423 E424 I438 A439 E440S420-A442 WeakPolarHBondContact CB-O 3.45Å; S420-A442 WeakPolarHBondContact O-CB 3.26Å; S420-A442 PolarHBondContact OG-O 3.21Å; L423-A442 HydrophobicContact CB-CB 3.58Å; L423-A442 HydrophobicContact CD1-CB 4.46Å; E424-A442 HydrophobicContact CG-CB 3.88Å; I438-A442 WeakPolarHBondContact O-CB 3.41Å; I438-A442 PolarHBondContact O-N 2.94Å; A439-A442 WeakPolarHBondContact O-CB 3.45Å; A439-A442 PolarHBondContact O-N 3.02Å; E440-A442 VanDerWaalsContact C-N 3.33Å
443R94.5Very high93.7Very high147 Ų14733.5 Ų33.556%0.55516%0.155SC*.Hα-helixtrans-65.2-40.5173.7-173.7-178.4-179.2161-0.9112.1A439 E440 F441 L445 L446A439-R443 PolarHBondContact O-N 3.1Å; E440-R443 PolarHBondContact O-N 3.32Å; F441-R443 VanDerWaalsContact C-N 3.34Å; F441-R443 PolarHBondContact O-N 3.39Å; R443-L445 PolarHBondContact O-N 2.95Å; R443-L446 WeakPolarHBondContact O-CB 3.28Å; R443-L446 PolarHBondContact O-N 3.43Å; R443-L446 VanDerWaalsContact O-N 3.11Å
444S96Very high94.3Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-58.8-33.3-179.7-55.50000112.3N103 E440 F441 L446 V447N103-S444 PolarHBondContact ND2-OG 3.13Å; E440-S444 WeakPolarHBondContact O-CB 3.41Å; E440-S444 PolarHBondContact O-N 2.97Å; E440-S444 PolarHBondContact O-OG 3.07Å; F441-S444 WeakPolarHBondContact O-CB 3.32Å; F441-S444 PolarHBondContact O-N 2.93Å; S444-L446 PolarHBondContact O-N 2.62Å; S444-V447 WeakPolarHBondContact O-CB 3.32Å; S444-V447 WeakPolarHBondContact O-CG1 3.28Å; S444-V447 PolarHBondContact O-N 3.32Å
445L95.9Very high94.6Very high0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-64.8-27.6179.7-61.6179.1000113I96 E416 L419 L423 F441 R443 V447 I448 L514I96-L445 HydrophobicContact CG2-CD2 4.3Å; E416-L445 HydrophobicContact CB-CB 4.26Å; E416-L445 WeakPolarHBondContact CB-O 3.44Å; L419-L445 HydrophobicContact CB-CD1 3.57Å; L419-L445 HydrophobicContact CD1-CD1 4.13Å; L423-L445 HydrophobicContact CD1-CD1 4.02Å; F441-L445 HydrophobicContact CD1-CD1 4.45Å; F441-L445 HydrophobicContact CE1-CD1 4.17Å; F441-L445 HydrophobicContact CE1-CD2 4.32Å; F441-L445 HydrophobicContact CE1-CG 4.4Å; F441-L445 PolarHBondContact O-N 3.44Å; R443-L445 PolarHBondContact O-N 2.95Å; L445-V447 PolarHBondContact O-N 3.07Å; L445-V447 VanDerWaalsContact O-N 3.14Å; L445-I448 PolarHBondContact O-N 3.21Å; L445-L514 HydrophobicContact CD2-CD2 3.64Å
446L95.8Very high94.5Very high13 Ų1326.2 Ų26.27%0.06814%0.138CC..THydrogen-bonded Turntrans-68-10.4178.4-65.4176.2000113.1S420 R443 S444 I448 P449 N450 V464 R468S420-L446 WeakPolarHBondContact OG-CG 3.22Å; R443-L446 WeakPolarHBondContact O-CB 3.28Å; R443-L446 PolarHBondContact O-N 3.43Å; R443-L446 VanDerWaalsContact O-N 3.11Å; S444-L446 PolarHBondContact O-N 2.62Å; L446-I448 PolarHBondContact O-N 3.4Å; L446-P449 HydrophobicContact CD2-CG 4.31Å; L446-P449 VanDerWaalsContact O-CD 3.3Å; L446-P449 WeakPolarHBondContact O-CD 3.48Å; L446-P449 WeakPolarHBondContact O-CG 3.47Å; L446-N450 WeakPolarHBondContact O-CB 3.11Å; L446-N450 VanDerWaalsContact O-CG 3.29Å; L446-N450 PolarHBondContact O-N 3.46Å; L446-N450 VanDerWaalsContact O-N 3.13Å; L446-N450 PolarHBondContact O-ND2 3.19Å; L446-V464 HydrophobicContact CD1-CG1 4.42Å; L446-V464 HydrophobicContact CD2-CG1 4.12Å; L446-R468 HydrophobicContact CD2-CG 4.29Å
447V95.9Very high94.5Very high14 Ų1426.9 Ų26.99%0.08516%0.155CC..Hα-helixtrans-58.3-36.2175.373.30000111.8I95 E99 S444 L445 N450 T451I95-V447 HydrophobicContact CG2-CB 4.45Å; I95-V447 HydrophobicContact CG2-CG1 3.75Å; I95-V447 HydrophobicContact CG2-CG2 3.81Å; E99-V447 HydrophobicContact CB-CB 4.25Å; E99-V447 HydrophobicContact CB-CG1 4.11Å; E99-V447 HydrophobicContact CB-CG2 4.41Å; E99-V447 HydrophobicContact CG-CB 4.02Å; E99-V447 HydrophobicContact CG-CG1 4.39Å; E99-V447 HydrophobicContact CG-CG2 4.24Å; S444-V447 WeakPolarHBondContact O-CB 3.32Å; S444-V447 WeakPolarHBondContact O-CG1 3.28Å; S444-V447 PolarHBondContact O-N 3.32Å; L445-V447 PolarHBondContact O-N 3.07Å; L445-V447 VanDerWaalsContact O-N 3.14Å; V447-N450 PolarHBondContact O-N 2.85Å; V447-T451 HydrophobicContact CG2-CG2 4.1Å; V447-T451 WeakPolarHBondContact O-CB 3.46Å; V447-T451 VanDerWaalsContact O-CG2 3.31Å; V447-T451 WeakPolarHBondContact O-CG2 3.44Å; V447-T451 PolarHBondContact O-N 3.45Å; V447-T451 PolarHBondContact O-OG1 2.91Å
448I95.6Very high94.3Very high6 Ų630.6 Ų30.63%0.03117%0.172CC..Hα-helixtrans-65.3-56.9-178.2-62.6-59.7000112.3L36 I95 I96 E416 L445 L446 N450 T451 L452L36-I448 HydrophobicContact CD2-CD1 4.04Å; L36-I448 HydrophobicContact CD2-CG2 4.35Å; I95-I448 HydrophobicContact CB-CD1 4.19Å; I95-I448 HydrophobicContact CG2-CD1 4.14Å; I96-I448 HydrophobicContact CD1-CD1 4.35Å; I96-I448 HydrophobicContact CD1-CG1 4.06Å; I96-I448 HydrophobicContact CG1-CD1 3.99Å; I96-I448 HydrophobicContact CG1-CG1 3.87Å; E416-I448 HydrophobicContact CG-CB 4.05Å; E416-I448 HydrophobicContact CG-CG1 4.25Å; E416-I448 HydrophobicContact CG-CG2 4.32Å; L445-I448 PolarHBondContact O-N 3.21Å; L446-I448 PolarHBondContact O-N 3.4Å; I448-N450 PolarHBondContact O-N 3.48Å; I448-T451 PolarHBondContact O-N 2.89Å; I448-T451 PolarHBondContact O-OG1 3.48Å; I448-T451 VanDerWaalsContact O-OG1 3.04Å; I448-L452 HydrophobicContact CG2-CD1 4.17Å; I448-L452 WeakPolarHBondContact O-CB 3.27Å; I448-L452 VanDerWaalsContact O-CG 3.27Å; I448-L452 WeakPolarHBondContact O-CG 3.46Å; I448-L452 PolarHBondContact O-N 2.82Å
449P95.2Very high94.2Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-62.6-32.1176.122.7-32.6000112.5L446 A453 V464 L467 L488L446-P449 HydrophobicContact CD2-CG 4.31Å; L446-P449 VanDerWaalsContact O-CD 3.3Å; L446-P449 WeakPolarHBondContact O-CD 3.48Å; L446-P449 WeakPolarHBondContact O-CG 3.47Å; P449-A453 WeakPolarHBondContact O-CB 3.45Å; P449-A453 PolarHBondContact O-N 3.32Å; P449-A453 VanDerWaalsContact O-N 3.08Å; P449-V464 HydrophobicContact CB-CG2 4.12Å; P449-V464 HydrophobicContact CG-CG2 4.44Å; P449-L467 HydrophobicContact CB-CD2 3.91Å; P449-L467 HydrophobicContact CG-CD2 4.34Å; P449-L488 HydrophobicContact CB-CD1 3.56Å; P449-L488 WeakPolarHBondContact O-CD1 3.18Å
450N94.8Very high94.1Very high52 Ų5234.8 Ų34.828%0.27819%0.192SC..Hα-helixtrans-63-50.2173.8-81.1-45.4000112.1L446 V447 I448 L452 A453 V454 V464L446-N450 WeakPolarHBondContact O-CB 3.11Å; L446-N450 VanDerWaalsContact O-CG 3.29Å; L446-N450 PolarHBondContact O-N 3.46Å; L446-N450 VanDerWaalsContact O-N 3.13Å; L446-N450 PolarHBondContact O-ND2 3.19Å; V447-N450 PolarHBondContact O-N 2.85Å; I448-N450 PolarHBondContact O-N 3.48Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.21Å; N450-A453 PolarHBondContact O-N 2.97Å; N450-V454 VanDerWaalsContact O-CG2 3.32Å; N450-V454 WeakPolarHBondContact O-CG2 3.37Å; N450-V454 PolarHBondContact O-N 3.39Å; N450-V464 WeakPolarHBondContact OD1-CG2 3.45Å
451T94.8Very high93.9Very high15 Ų1538.1 Ų38.19%0.09222%0.215CC..Hα-helixtrans-67.2-36.1-178.849.60000111.7K33 L36 V447 I448 A453 V454 N455K33-T451 HydrophobicContact CD-CG2 4.03Å; K33-T451 HydrophobicContact CG-CG2 3.97Å; L36-T451 WeakPolarHBondContact CD2-OG1 3.32Å; V447-T451 HydrophobicContact CG2-CG2 4.1Å; V447-T451 WeakPolarHBondContact O-CB 3.46Å; V447-T451 VanDerWaalsContact O-CG2 3.31Å; V447-T451 WeakPolarHBondContact O-CG2 3.44Å; V447-T451 PolarHBondContact O-N 3.45Å; V447-T451 PolarHBondContact O-OG1 2.91Å; I448-T451 PolarHBondContact O-N 2.89Å; I448-T451 PolarHBondContact O-OG1 3.48Å; I448-T451 VanDerWaalsContact O-OG1 3.04Å; T451-A453 PolarHBondContact O-N 3.42Å; T451-V454 PolarHBondContact O-N 3.03Å; T451-N455 WeakPolarHBondContact O-CB 3.44Å; T451-N455 VanDerWaalsContact O-CG 3.24Å; T451-N455 PolarHBondContact O-N 3.05Å; T451-N455 PolarHBondContact O-ND2 3.42Å
452L93.9Very high93.8Very high13 Ų1341.4 Ų41.47%0.06823%0.233CC..Hα-helixtrans-58.5-46.1171.9-74.2176.6000112.1L36 I448 N450 A456 L490L36-L452 HydrophobicContact CD2-CD2 4.11Å; L36-L452 HydrophobicContact CD2-CG 4.11Å; L36-L452 HydrophobicContact CG-CD2 3.96Å; L36-L452 HydrophobicContact CG-CG 4.5Å; I448-L452 HydrophobicContact CG2-CD1 4.17Å; I448-L452 WeakPolarHBondContact O-CB 3.27Å; I448-L452 VanDerWaalsContact O-CG 3.27Å; I448-L452 WeakPolarHBondContact O-CG 3.46Å; I448-L452 PolarHBondContact O-N 2.82Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.21Å; L452-A456 PolarHBondContact O-N 2.99Å; L452-L490 HydrophobicContact CB-CD1 3.93Å; L452-L490 HydrophobicContact CB-CD2 4.11Å; L452-L490 HydrophobicContact CD2-CD1 4.03Å; L452-L490 HydrophobicContact CG-CD1 4.47Å
453A93.9Very high93.6Very high0 Ų041.6 Ų41.60%023%0.234CC..Hα-helixtrans-67.3-40.5178.100000112.8P449 N450 T451 A456 A457 Q458 L463P449-A453 WeakPolarHBondContact O-CB 3.45Å; P449-A453 PolarHBondContact O-N 3.32Å; P449-A453 VanDerWaalsContact O-N 3.08Å; N450-A453 PolarHBondContact O-N 2.97Å; T451-A453 PolarHBondContact O-N 3.42Å; A453-A456 CarbonylContact O-C 3.59Å; A453-A456 WeakPolarHBondContact O-CB 3.41Å; A453-A456 PolarHBondContact O-N 2.88Å; A453-A456 VanDerWaalsContact O-N 3.16Å; A453-A457 PolarHBondContact O-N 2.87Å; A453-Q458 PolarHBondContact O-N 3.25Å; A453-L463 HydrophobicContact CB-CD1 3.93Å
454V93.7Very high93.5Very high86 Ų8635.1 Ų35.152%0.52121%0.21SC..Hα-helixtrans-62.9-44.4177170.70000111.2N450 T451 A456 A457N450-V454 VanDerWaalsContact O-CG2 3.32Å; N450-V454 WeakPolarHBondContact O-CG2 3.37Å; N450-V454 PolarHBondContact O-N 3.39Å; T451-V454 PolarHBondContact O-N 3.03Å; V454-A456 PolarHBondContact O-N 3.12Å; V454-A457 PolarHBondContact O-N 3.37Å
455N92.4Very high93.4Very high42 Ų4237.8 Ų37.823%0.22523%0.233CC..Hα-helixtrans-64.3-27.4176.9-68.3-13.2000111.9K33 L36 V39 T451 A457K33-N455 PolarHBondContact O-ND2 3.42Å; L36-N455 PolarHBondContact O-ND2 2.8Å; V39-N455 HydrophobicContact CG2-CB 3.93Å; T451-N455 WeakPolarHBondContact O-CB 3.44Å; T451-N455 VanDerWaalsContact O-CG 3.24Å; T451-N455 PolarHBondContact O-N 3.05Å; T451-N455 PolarHBondContact O-ND2 3.42Å; N455-A457 PolarHBondContact O-N 3.24Å
456A91Very high93.3Very high15 Ų1542 Ų4212%0.12425%0.251CS..THydrogen-bonded Turntrans-79.42.5173.800000114V39 L452 A453 V454 Q458 L490V39-A456 HydrophobicContact CG2-CB 3.88Å; L452-A456 PolarHBondContact O-N 2.99Å; A453-A456 CarbonylContact O-C 3.59Å; A453-A456 WeakPolarHBondContact O-CB 3.41Å; A453-A456 PolarHBondContact O-N 2.88Å; A453-A456 VanDerWaalsContact O-N 3.16Å; V454-A456 PolarHBondContact O-N 3.12Å; A456-Q458 HydrophobicContact CB-CB 4.47Å; A456-Q458 HydrophobicContact CB-CG 3.81Å; A456-Q458 PolarHBondContact O-N 2.87Å; A456-L490 HydrophobicContact CB-CB 3.94Å; A456-L490 HydrophobicContact CB-CD2 4.08Å; A456-L490 HydrophobicContact CB-CG 4.44Å
457A91.3Very high93.1Very high94 Ų9441.4 Ų41.478%0.77725%0.248SC*.THydrogen-bonded Turntrans5330.4-171.200000113.4A453 V454 N455A453-A457 PolarHBondContact O-N 2.87Å; V454-A457 PolarHBondContact O-N 3.37Å; N455-A457 PolarHBondContact O-N 3.24Å
458Q90.9Very high93Very high80 Ų8044.6 Ų44.637%0.37426%0.258SS..SBendtrans-97.1160.4176-60.8-61.2-31.700110.5A453 A456 S460 L463A453-Q458 PolarHBondContact O-N 3.25Å; A456-Q458 HydrophobicContact CB-CB 4.47Å; A456-Q458 HydrophobicContact CB-CG 3.81Å; A456-Q458 PolarHBondContact O-N 2.87Å; Q458-S460 PolarHBondContact O-N 3.24Å; Q458-L463 HydrophobicContact CB-CD1 3.67Å; Q458-L463 HydrophobicContact CG-CD1 4.23Å
459D91.6Very high92.8Very high94 Ų9446.7 Ų46.750%0.50328%0.276SS..  trans-71102.1170.8-172.6-5.4000109.9T461 D462 L463D459-T461 PolarHBondContact O-N 2.88Å; D459-T461 VanDerWaalsContact OD1-CB 3.28Å; D459-T461 WeakPolarHBondContact OD1-CB 3.27Å; D459-T461 PolarHBondContact OD1-N 3.49Å; D459-T461 PolarHBondContact OD1-OG1 3.38Å; D459-D462 HydrophobicContact CB-CB 4.31Å; D459-D462 PolarHBondContact O-N 2.66Å; D459-L463 PolarHBondContact O-N 3.31Å
460S91.9Very high92.6Very high25 Ų2549.9 Ų49.918%0.17529%0.29CS..Hα-helixtrans-61.4-30.8178.456.80000112.4Q458 V464Q458-S460 PolarHBondContact O-N 3.24Å; S460-V464 VanDerWaalsContact O-CB 3.3Å; S460-V464 WeakPolarHBondContact O-CB 3.3Å; S460-V464 WeakPolarHBondContact O-CG2 3.28Å; S460-V464 PolarHBondContact O-N 3.44Å
461T92.4Very high92.5Very high104 Ų10447.5 Ų47.564%0.63828%0.277SS*.Hα-helixtrans-66.3-48.6-178.3-48.80000110.6D459 A465D459-T461 PolarHBondContact O-N 2.88Å; D459-T461 VanDerWaalsContact OD1-CB 3.28Å; D459-T461 WeakPolarHBondContact OD1-CB 3.27Å; D459-T461 PolarHBondContact OD1-N 3.49Å; D459-T461 PolarHBondContact OD1-OG1 3.38Å; T461-A465 WeakPolarHBondContact O-CB 3.47Å; T461-A465 PolarHBondContact O-N 2.81Å
462D92.5Very high92.3Very high70 Ų7050.2 Ų50.237%0.37429%0.291SS..Hα-helixtrans-65.9-46.4179.1-179.838.2000111.6D459 A465 K466D459-D462 HydrophobicContact CB-CB 4.31Å; D459-D462 PolarHBondContact O-N 2.66Å; D462-A465 PolarHBondContact O-N 3.35Å; D462-K466 WeakPolarHBondContact O-CG 3.34Å; D462-K466 PolarHBondContact O-N 3.01Å; D462-K466 WeakPolarHBondContact OD1-CE 3.43Å; D462-K466 IonicContact OD1-NZ 3.3Å; D462-K466 PolarHBondContact OD1-NZ 3.4Å; D462-K466 IonicContact OD2-NZ 2.91Å; D462-K466 PolarHBondContact OD2-NZ 3.5Å
463L92.7Very high92.1Very high4 Ų452.8 Ų52.82%0.02130%0.303CS..Hα-helixtrans-64.5-45.5-178.7-74.6-178.7000112.9A453 Q458 D459 K466 L467 L488 G493 P495A453-L463 HydrophobicContact CB-CD1 3.93Å; Q458-L463 HydrophobicContact CB-CD1 3.67Å; Q458-L463 HydrophobicContact CG-CD1 4.23Å; D459-L463 PolarHBondContact O-N 3.31Å; L463-K466 PolarHBondContact O-N 3.4Å; L463-L467 VanDerWaalsContact O-CB 3.29Å; L463-L467 WeakPolarHBondContact O-CB 3.33Å; L463-L467 PolarHBondContact O-N 3.31Å; L463-L488 HydrophobicContact CB-CD2 4Å; L463-L488 HydrophobicContact CD2-CD2 4.44Å; L463-G493 WeakPolarHBondContact CD2-O 3.47Å; L463-P495 HydrophobicContact CD2-CG 4.47Å
464V92.4Very high91.8Very high10 Ų1053.2 Ų53.26%0.06131%0.306CS..Hα-helixtrans-70.1-35.8179173.70000111.4L446 P449 N450 S460 L467 R468L446-V464 HydrophobicContact CD1-CG1 4.42Å; L446-V464 HydrophobicContact CD2-CG1 4.12Å; P449-V464 HydrophobicContact CB-CG2 4.12Å; P449-V464 HydrophobicContact CG-CG2 4.44Å; N450-V464 WeakPolarHBondContact OD1-CG2 3.45Å; S460-V464 VanDerWaalsContact O-CB 3.3Å; S460-V464 WeakPolarHBondContact O-CB 3.3Å; S460-V464 WeakPolarHBondContact O-CG2 3.28Å; S460-V464 PolarHBondContact O-N 3.44Å; V464-L467 PolarHBondContact O-N 2.96Å; V464-R468 HydrophobicContact CG1-CG 4.39Å; V464-R468 WeakPolarHBondContact O-CB 3.35Å; V464-R468 WeakPolarHBondContact O-CG 3.31Å; V464-R468 PolarHBondContact O-N 3.3Å
465A93.1Very high91.4Very high57 Ų5751.6 Ų51.647%0.47129%0.293SS..Hα-helixtrans-60.8-47.4173.400000111.8T461 D462 R468 A469T461-A465 WeakPolarHBondContact O-CB 3.47Å; T461-A465 PolarHBondContact O-N 2.81Å; D462-A465 PolarHBondContact O-N 3.35Å; A465-R468 PolarHBondContact O-N 3.03Å; A465-A469 PolarHBondContact O-N 3.32Å
466K92.9Very high91Very high88 Ų8854.2 Ų54.238%0.38331%0.31SS..Hα-helixtrans-61.5-46.7175.6-73.9169.1175.2158.70111.9D462 L463 R468 A469 F470 P495D462-K466 WeakPolarHBondContact O-CG 3.34Å; D462-K466 PolarHBondContact O-N 3.01Å; D462-K466 WeakPolarHBondContact OD1-CE 3.43Å; D462-K466 IonicContact OD1-NZ 3.3Å; D462-K466 PolarHBondContact OD1-NZ 3.4Å; D462-K466 IonicContact OD2-NZ 2.91Å; D462-K466 PolarHBondContact OD2-NZ 3.5Å; L463-K466 PolarHBondContact O-N 3.4Å; K466-R468 VanDerWaalsContact C-N 3.33Å; K466-R468 PolarHBondContact O-N 3Å; K466-A469 WeakPolarHBondContact O-CB 3.49Å; K466-A469 PolarHBondContact O-N 3.5Å; K466-A469 VanDerWaalsContact O-N 3.16Å; K466-F470 HydrophobicContact CB-CE2 4.27Å; K466-F470 WeakPolarHBondContact O-CD2 3.42Å; K466-F470 PolarHBondContact O-N 3.28Å; K466-P495 HydrophobicContact CB-CG 3.9Å
467L92.5Very high90.7Very high0 Ų056.8 Ų56.80%032%0.322CS..Hα-helixtrans-56-49.2178.2-166.777.2000110.5A417 P449 L463 V464 A469 F470 H471 I486 L488A417-L467 HydrophobicContact CB-CD2 3.39Å; A417-L467 HydrophobicContact CB-CG 3.65Å; P449-L467 HydrophobicContact CB-CD2 3.91Å; P449-L467 HydrophobicContact CG-CD2 4.34Å; L463-L467 VanDerWaalsContact O-CB 3.29Å; L463-L467 WeakPolarHBondContact O-CB 3.33Å; L463-L467 PolarHBondContact O-N 3.31Å; V464-L467 PolarHBondContact O-N 2.96Å; L467-A469 PolarHBondContact O-N 3.41Å; L467-F470 PolarHBondContact O-N 3.13Å; L467-H471 PolarHBondContact O-CD2 3.49Å; L467-H471 PolarHBondContact O-N 3.09Å; L467-H471 VanDerWaalsContact O-N 3.08Å; L467-I486 HydrophobicContact CD1-CG2 4.29Å; L467-L488 HydrophobicContact CB-CD2 4.44Å; L467-L488 HydrophobicContact CD1-CD2 4.02Å; L467-L488 HydrophobicContact CD1-CG 4.21Å; L467-L488 HydrophobicContact CD2-CD1 4.46Å; L467-L488 HydrophobicContact CD2-CD2 4.34Å; L467-L488 HydrophobicContact CD2-CG 4.2Å
468R92.7Very high89.9Confident82 Ų8256.8 Ų56.831%0.30931%0.314SS..Hα-helixtrans-60-41.8176.3-74.6-175.177.9-1726.9112.8I421 E424 L446 V464 A465 K466 H471 N472I421-R468 HydrophobicContact CD1-CB 4.11Å; I421-R468 HydrophobicContact CD1-CG 4.17Å; E424-R468 IonicContact OE1-CZ 2.75Å; E424-R468 IonicContact OE1-NH2 3.57Å; E424-R468 PolarHBondContact OE1-NH2 2.91Å; E424-R468 IonicContact OE2-CZ 2.63Å; E424-R468 IonicContact OE2-NH2 3.77Å; E424-R468 PolarHBondContact OE2-NH2 2.96Å; L446-R468 HydrophobicContact CD2-CG 4.29Å; V464-R468 HydrophobicContact CG1-CG 4.39Å; V464-R468 WeakPolarHBondContact O-CB 3.35Å; V464-R468 WeakPolarHBondContact O-CG 3.31Å; V464-R468 PolarHBondContact O-N 3.3Å; A465-R468 PolarHBondContact O-N 3.03Å; K466-R468 VanDerWaalsContact C-N 3.33Å; K466-R468 PolarHBondContact O-N 3Å; R468-H471 PolarHBondContact O-N 2.94Å; R468-N472 VanDerWaalsContact O-CB 3.28Å; R468-N472 WeakPolarHBondContact O-CB 3.39Å; R468-N472 PolarHBondContact O-N 3.4Å
469A92.3Very high89.3Confident49 Ų4961.9 Ų61.941%0.40534%0.338SS..Hα-helixtrans-59.8-47.8178.300000111.8A465 K466 L467 N472 E473A465-A469 PolarHBondContact O-N 3.32Å; K466-A469 WeakPolarHBondContact O-CB 3.49Å; K466-A469 PolarHBondContact O-N 3.5Å; K466-A469 VanDerWaalsContact O-N 3.16Å; L467-A469 PolarHBondContact O-N 3.41Å; A469-N472 PolarHBondContact O-N 3.02Å; A469-E473 WeakPolarHBondContact O-CG 3.48Å; A469-E473 PolarHBondContact O-N 3Å
470F91.9Very high88.8Confident68 Ų6863.7 Ų63.730%0.29834%0.338SS..Hα-helixtrans-64.4-41.6178.5-69-63.6000113.1K466 L467 E473 A474 L483 I486 P495K466-F470 HydrophobicContact CB-CE2 4.27Å; K466-F470 WeakPolarHBondContact O-CD2 3.42Å; K466-F470 PolarHBondContact O-N 3.28Å; L467-F470 PolarHBondContact O-N 3.13Å; F470-E473 PolarHBondContact O-N 3.17Å; F470-A474 WeakPolarHBondContact O-CB 3.16Å; F470-A474 PolarHBondContact O-N 3.33Å; F470-L483 HydrophobicContact CD1-CD1 4.34Å; F470-L483 HydrophobicContact CD1-CD2 4.49Å; F470-I486 HydrophobicContact CB-CD1 4.09Å; F470-I486 HydrophobicContact CB-CG2 3.7Å; F470-I486 HydrophobicContact CD1-CD1 4.17Å; F470-I486 HydrophobicContact CD2-CD1 3.41Å; F470-I486 VanDerWaalsContact CD2-CD1 3.41Å; F470-I486 HydrophobicContact CE1-CD1 4.46Å; F470-I486 HydrophobicContact CE2-CD1 3.75Å; F470-I486 HydrophobicContact CG-CD1 3.64Å; F470-I486 HydrophobicContact CG-CG2 4.4Å; F470-I486 HydrophobicContact CZ-CD1 4.26Å; F470-P495 HydrophobicContact CD2-CB 4.23Å; F470-P495 HydrophobicContact CE2-CB 4.01Å; F470-P495 HydrophobicContact CE2-CG 4.13Å
471H91.3Very high88.3Confident1 Ų168.2 Ų68.21%0.00535%0.354CS..Hα-helixtrans-69.1-34.5178-82.1-82.4000112.4A414 A418 I421 L467 R468 A474 Q475 K484 I486A414-H471 PolarHBondContact O-CE1 3.33Å; A414-H471 PolarHBondContact O-NE2 3.06Å; A418-H471 WeakPolarHBondContact CB-ND1 3.45Å; I421-H471 HydrophobicContact CG1-CB 4.47Å; L467-H471 PolarHBondContact O-CD2 3.49Å; L467-H471 PolarHBondContact O-N 3.09Å; L467-H471 VanDerWaalsContact O-N 3.08Å; R468-H471 PolarHBondContact O-N 2.94Å; H471-A474 PolarHBondContact O-N 3.24Å; H471-Q475 WeakPolarHBondContact O-CG 3.42Å; H471-Q475 PolarHBondContact O-N 3.42Å; H471-K484 PolarHBondContact CE1-O 3.02Å; H471-K484 VanDerWaalsContact CE1-O 3.23Å; H471-I486 WeakPolarHBondContact NE2-CG2 3.5Å; H471-I486 PolarHBondContact NE2-O 3Å
472N91Very high87.8Confident72 Ų7269.2 Ų69.239%0.38536%0.356SS..Hα-helixtrans-65.6-46.9172.5-170.414.9000111.3I421 R468 A469 A474 Q475 V476I421-N472 HydrophobicContact CG2-CB 4.15Å; R468-N472 VanDerWaalsContact O-CB 3.28Å; R468-N472 WeakPolarHBondContact O-CB 3.39Å; R468-N472 PolarHBondContact O-N 3.4Å; A469-N472 PolarHBondContact O-N 3.02Å; N472-A474 PolarHBondContact O-N 2.96Å; N472-Q475 PolarHBondContact O-N 3.2Å; N472-Q475 VanDerWaalsContact O-N 3.14Å; N472-V476 WeakPolarHBondContact O-CG2 3.45Å; N472-V476 PolarHBondContact O-N 2.88Å; N472-V476 WeakPolarHBondContact OD1-CG2 3.44Å
473E89.4Confident87.4Confident68 Ų6868.2 Ų68.232%0.31835%0.35SS..Hα-helixtrans-57.2-38.6173.6-75.4-172.7-16300112.4A469 F470 Q475 N477 R480 L483A469-E473 WeakPolarHBondContact O-CG 3.48Å; A469-E473 PolarHBondContact O-N 3Å; F470-E473 PolarHBondContact O-N 3.17Å; E473-Q475 VanDerWaalsContact C-N 3.32Å; E473-Q475 PolarHBondContact O-N 3.32Å; E473-N477 WeakPolarHBondContact O-CB 3.42Å; E473-N477 PolarHBondContact O-N 2.9Å; E473-R480 IonicContact OE2-CZ 3.98Å; E473-R480 IonicContact OE2-NH1 2.94Å; E473-R480 PolarHBondContact OE2-NH1 3.39Å; E473-L483 HydrophobicContact CB-CD1 4.34Å
474A88Confident87Confident8 Ų870.1 Ų70.17%0.06636%0.358CS..Hα-helixtrans-66.1-32.217900000113.4F470 H471 N472 L483 K484F470-A474 WeakPolarHBondContact O-CB 3.16Å; F470-A474 PolarHBondContact O-N 3.33Å; H471-A474 PolarHBondContact O-N 3.24Å; N472-A474 PolarHBondContact O-N 2.96Å; A474-L483 HydrophobicContact CB-CB 3.92Å; A474-K484 HydrophobicContact CB-CB 4.18Å
475Q85.5Confident86.8Confident53 Ų5370.7 Ų70.725%0.24836%0.359CS..Hα-helixtrans-83.6-37.3-179.6-72.4-177.410.400112.4Y131 A418 H471 N472 E473Y131-Q475 PolarHBondContact OH-NE2 3.39Å; A418-Q475 PolarHBondContact O-NE2 3.36Å; H471-Q475 WeakPolarHBondContact O-CG 3.42Å; H471-Q475 PolarHBondContact O-N 3.42Å; N472-Q475 PolarHBondContact O-N 3.2Å; N472-Q475 VanDerWaalsContact O-N 3.14Å; E473-Q475 VanDerWaalsContact C-N 3.32Å; E473-Q475 PolarHBondContact O-N 3.32Å
476V84.8Confident86.8Confident96 Ų9668.6 Ų68.658%0.58234%0.34SS*.Hα-helixtrans-79.1-41-1791790000111.6N472N472-V476 WeakPolarHBondContact O-CG2 3.45Å; N472-V476 PolarHBondContact O-N 2.88Å; N472-V476 WeakPolarHBondContact OD1-CG2 3.44Å
477N83.1Confident86.7Confident69 Ų6964.4 Ų64.437%0.36932%0.322SS..  trans-102.8113.9-173.5-64.2-41.3000111.9E473 E479 R480E473-N477 WeakPolarHBondContact O-CB 3.42Å; E473-N477 PolarHBondContact O-N 2.9Å; N477-E479 PolarHBondContact O-N 3.41Å; N477-R480 HydrophobicContact CB-CB 4.32Å; N477-R480 PolarHBondContact O-N 3.17Å; N477-R480 VanDerWaalsContact O-N 3.14Å
478P75.6Confident86.6Confident95 Ų9565 Ų6562%0.61733%0.325SS*.G310 helixtrans-65.4-24.8-179.425.2-33.2000113.6R480 K481P478-R480 VanDerWaalsContact C-N 3.34Å; P478-K481 WeakPolarHBondContact O-CG 3.45Å
479E77.4Confident86.5Confident186 Ų18662.4 Ų62.487%0.86932%0.317SS*.G310 helixtrans-73.8-23177.4-63.1-176.8170.900113.1N477N477-E479 PolarHBondContact O-N 3.41Å
480R81.9Confident86.2Confident133 Ų13360.7 Ų60.750%0.50230%0.301SS..G310 helixtrans-107.523.2-177.6-65.5-170.3178.9-177.61.4113.5E473 N477 P478 N482 L483E473-R480 IonicContact OE2-CZ 3.98Å; E473-R480 IonicContact OE2-NH1 2.94Å; E473-R480 PolarHBondContact OE2-NH1 3.39Å; N477-R480 HydrophobicContact CB-CB 4.32Å; N477-R480 PolarHBondContact O-N 3.17Å; N477-R480 VanDerWaalsContact O-N 3.14Å; P478-R480 VanDerWaalsContact C-N 3.34Å; R480-N482 PolarHBondContact O-N 3.06Å; R480-L483 HydrophobicContact CB-CD1 3.93Å; R480-L483 HydrophobicContact CB-CG 4.36Å; R480-L483 HydrophobicContact CG-CD1 4.48Å; R480-L483 WeakPolarHBondContact O-CB 3.47Å; R480-L483 PolarHBondContact O-N 3.41Å
481K80.3Confident85.8Confident120 Ų12062.4 Ų62.452%0.52232%0.322SS..G310 helixtrans-54.9-24.7178.3-79.3-179.8-179.7-1720114.1P478 L483 K484P478-K481 WeakPolarHBondContact O-CG 3.45Å; K481-L483 PolarHBondContact O-N 3.39Å; K481-K484 WeakPolarHBondContact O-CD 3.35Å; K481-K484 WeakPolarHBondContact O-CG 3.43Å; K481-K484 PolarHBondContact O-N 3.07Å
482N82Confident85.5Confident124 Ų12467.9 Ų67.966%0.66335%0.351SS*.G310 helixtrans-63.6-23.1178.7-63.4-7.5000112.8R480 K484 W485R480-N482 PolarHBondContact O-N 3.06Å; N482-K484 PolarHBondContact O-N 3.43Å; N482-W485 PolarHBondContact O-N 2.93Å
483L84.9Confident85.3Confident49 Ų4965.2 Ų65.226%0.25734%0.34SS..G310 helixtrans-69.4-14179.4-64.4178.7000113.5F470 E473 A474 R480 K481 W485 I486F470-L483 HydrophobicContact CD1-CD1 4.34Å; F470-L483 HydrophobicContact CD1-CD2 4.49Å; E473-L483 HydrophobicContact CB-CD1 4.34Å; A474-L483 HydrophobicContact CB-CB 3.92Å; R480-L483 HydrophobicContact CB-CD1 3.93Å; R480-L483 HydrophobicContact CB-CG 4.36Å; R480-L483 HydrophobicContact CG-CD1 4.48Å; R480-L483 WeakPolarHBondContact O-CB 3.47Å; R480-L483 PolarHBondContact O-N 3.41Å; K481-L483 PolarHBondContact O-N 3.39Å; L483-W485 PolarHBondContact O-N 3.16Å; L483-I486 WeakPolarHBondContact O-CB 3.42Å; L483-I486 WeakPolarHBondContact O-CG2 3.46Å; L483-I486 PolarHBondContact O-N 2.51Å
484K84.2Confident85.4Confident45 Ų4568.9 Ų68.920%0.19636%0.355CS..G310 helixtrans-63.3-13.6176.577.1-170.1178169.40113.9N135 H471 A474 K481 N482 I486N135-K484 WeakPolarHBondContact O-CD 3.47Å; N135-K484 VanDerWaalsContact O-CE 3.25Å; N135-K484 WeakPolarHBondContact O-CE 3.45Å; N135-K484 PolarHBondContact O-NZ 3.37Å; H471-K484 PolarHBondContact CE1-O 3.02Å; H471-K484 VanDerWaalsContact CE1-O 3.23Å; A474-K484 HydrophobicContact CB-CB 4.18Å; K481-K484 WeakPolarHBondContact O-CD 3.35Å; K481-K484 WeakPolarHBondContact O-CG 3.43Å; K481-K484 PolarHBondContact O-N 3.07Å; N482-K484 PolarHBondContact O-N 3.43Å; K484-I486 VanDerWaalsContact C-N 3.34Å
485W88.5Confident85.5Confident22 Ų2269.9 Ų69.98%0.08336%0.361CS..G310 helixtrans-89.90.2177.8-54.2140.3000113.8L136 V138 P410 N482 L483 G487 D497 N498 K499L136-W485 VanDerWaalsContact C-CH2 3.49Å; L136-W485 HydrophobicContact CB-CZ3 4.25Å; L136-W485 HydrophobicContact CD2-CE3 4.2Å; L136-W485 HydrophobicContact CD2-CZ3 3.83Å; L136-W485 VanDerWaalsContact O-CH2 3.25Å; L136-W485 WeakPolarHBondContact O-CH2 3.4Å; L136-W485 WeakPolarHBondContact O-CZ3 3.45Å; V138-W485 HydrophobicContact CG2-CH2 3.54Å; V138-W485 HydrophobicContact CG2-CZ2 3.62Å; V138-W485 HydrophobicContact CG2-CZ3 4.15Å; P410-W485 HydrophobicContact CG-CB 4.36Å; P410-W485 HydrophobicContact CG-CD2 4Å; P410-W485 HydrophobicContact CG-CE3 3.34Å; P410-W485 HydrophobicContact CG-CG 4.48Å; P410-W485 HydrophobicContact CG-CZ3 3.76Å; N482-W485 PolarHBondContact O-N 2.93Å; L483-W485 PolarHBondContact O-N 3.16Å; W485-G487 PolarHBondContact O-N 3.46Å; W485-D497 WeakPolarHBondContact CB-OD1 3.19Å; W485-N498 PolarHBondContact O-N 2.9Å; W485-K499 HydrophobicContact CB-CB 4.13Å; W485-K499 HydrophobicContact CG-CB 4.21Å
486I91.9Very high85.8Confident13 Ų1372.7 Ų72.77%0.06737%0.369CS..EExtended strand (participates in β ladder)trans-73124.9-178.4-153.4173.5000110.7A414 L467 F470 H471 L483 K484 P495 R496A414-I486 WeakPolarHBondContact CA-O 3.42Å; A414-I486 WeakPolarHBondContact CB-O 3.46Å; L467-I486 HydrophobicContact CD1-CG2 4.29Å; F470-I486 HydrophobicContact CB-CD1 4.09Å; F470-I486 HydrophobicContact CB-CG2 3.7Å; F470-I486 HydrophobicContact CD1-CD1 4.17Å; F470-I486 HydrophobicContact CD2-CD1 3.41Å; F470-I486 VanDerWaalsContact CD2-CD1 3.41Å; F470-I486 HydrophobicContact CE1-CD1 4.46Å; F470-I486 HydrophobicContact CE2-CD1 3.75Å; F470-I486 HydrophobicContact CG-CD1 3.64Å; F470-I486 HydrophobicContact CG-CG2 4.4Å; F470-I486 HydrophobicContact CZ-CD1 4.26Å; H471-I486 WeakPolarHBondContact NE2-CG2 3.5Å; H471-I486 PolarHBondContact NE2-O 3Å; L483-I486 WeakPolarHBondContact O-CB 3.42Å; L483-I486 WeakPolarHBondContact O-CG2 3.46Å; L483-I486 PolarHBondContact O-N 2.51Å; K484-I486 VanDerWaalsContact C-N 3.34Å; I486-P495 HydrophobicContact CD1-CB 3.61Å; I486-P495 HydrophobicContact CG1-CB 3.9Å; I486-R496 CarbonylContact C-O 3.52Å; I486-R496 WeakPolarHBondContact CA-O 3.47Å; I486-R496 WeakPolarHBondContact CG1-O 3.12Å
487G91.8Very high86.1Confident0 Ų070 Ų700%035%0.351CS..EExtended strand (participates in β ladder)trans-123.1-171.5171.400000110.9W485 P495 R496W485-G487 PolarHBondContact O-N 3.46Å; G487-P495 CarbonylContact O-C 3.59Å; G487-P495 VanDerWaalsContact O-CA 3.27Å; G487-P495 WeakPolarHBondContact O-CA 3.44Å; G487-R496 PolarHBondContact N-O 3.33Å; G487-R496 PolarHBondContact O-N 3.34Å
488L91.2Very high86.4Confident11 Ų1166.9 Ų66.96%0.05834%0.335CS..EExtended strand (participates in β ladder)trans-92.4124178.5-63.7176.9000110.8G412 P449 L463 L467 L490G412-L488 PolarHBondContact O-N 2.89Å; P449-L488 HydrophobicContact CB-CD1 3.56Å; P449-L488 WeakPolarHBondContact O-CD1 3.18Å; L463-L488 HydrophobicContact CB-CD2 4Å; L463-L488 HydrophobicContact CD2-CD2 4.44Å; L467-L488 HydrophobicContact CB-CD2 4.44Å; L467-L488 HydrophobicContact CD1-CD2 4.02Å; L467-L488 HydrophobicContact CD1-CG 4.21Å; L467-L488 HydrophobicContact CD2-CD1 4.46Å; L467-L488 HydrophobicContact CD2-CD2 4.34Å; L467-L488 HydrophobicContact CD2-CG 4.2Å; L488-L490 HydrophobicContact CB-CD2 4.09Å
489D89.8Confident87Confident28 Ų2865.7 Ų65.715%0.1532%0.32CS..EExtended strand (participates in β ladder)trans-91.9106.5163.3-176.6-13.4000108.5S491 N492 G493 K494 R496D489-S491 PolarHBondContact OD1-N 3.38Å; D489-N492 PolarHBondContact OD1-N 3.26Å; D489-N492 PolarHBondContact OD2-ND2 3.19Å; D489-G493 WeakPolarHBondContact O-CA 3.44Å; D489-G493 PolarHBondContact O-N 2.96Å; D489-K494 VanDerWaalsContact CB-O 3.25Å; D489-K494 WeakPolarHBondContact CB-O 3.33Å; D489-K494 PolarHBondContact N-O 3.38Å; D489-K494 PolarHBondContact O-N 3.41Å; D489-R496 HydrophobicContact CB-CB 4Å
490L86.8Confident87.4Confident13 Ų1364.2 Ų64.27%0.06831%0.313CS..THydrogen-bonded Turntrans-77.9-23.7-175.8-58.4179.6000112.7P38 V39 L452 A456 L488P38-L490 HydrophobicContact CG-CD1 3.78Å; V39-L490 HydrophobicContact CG2-CD1 3.96Å; L452-L490 HydrophobicContact CB-CD1 3.93Å; L452-L490 HydrophobicContact CB-CD2 4.11Å; L452-L490 HydrophobicContact CD2-CD1 4.03Å; L452-L490 HydrophobicContact CG-CD1 4.47Å; A456-L490 HydrophobicContact CB-CB 3.94Å; A456-L490 HydrophobicContact CB-CD2 4.08Å; A456-L490 HydrophobicContact CB-CG 4.44Å; L488-L490 HydrophobicContact CB-CD2 4.09Å
491S82.4Confident87.6Confident105 Ų10559.2 Ų59.273%0.73430%0.3SS*.THydrogen-bonded Turntrans-74.3-38.9178.4-600000111.4D489D489-S491 PolarHBondContact OD1-N 3.38Å
492N85.4Confident87.9Confident115 Ų11553.8 Ų53.862%0.61528%0.278SS*.THydrogen-bonded Turntrans-96.8-9.1180-67.3-50.5000113.8D489 K494D489-N492 PolarHBondContact OD1-N 3.26Å; D489-N492 PolarHBondContact OD2-ND2 3.19Å; N492-K494 VanDerWaalsContact C-N 3.33Å; N492-K494 PolarHBondContact O-N 3.31Å
493G86.8Confident88.3Confident16 Ų1649.8 Ų49.817%0.16526%0.259CS..THydrogen-bonded Turntrans61.838.3-17700000112.8L463 D489L463-G493 WeakPolarHBondContact CD2-O 3.47Å; D489-G493 WeakPolarHBondContact O-CA 3.44Å; D489-G493 PolarHBondContact O-N 2.96Å
494K90.6Very high88.6Confident146 Ų14647.6 Ų47.664%0.63525%0.247SC*.EExtended strand (participates in β ladder)trans-140.5147.9-178.6-69.5-177-176.6176.90111.7D489 N492 R496D489-K494 VanDerWaalsContact CB-O 3.25Å; D489-K494 WeakPolarHBondContact CB-O 3.33Å; D489-K494 PolarHBondContact N-O 3.38Å; D489-K494 PolarHBondContact O-N 3.41Å; N492-K494 VanDerWaalsContact C-N 3.33Å; N492-K494 PolarHBondContact O-N 3.31Å; K494-R496 PolarHBondContact O-N 2.83Å
495P91.1Very high88.9Confident28 Ų2847.3 Ų47.318%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-64.9133.6167.8-21.934.9000111L463 K466 F470 I486 G487L463-P495 HydrophobicContact CD2-CG 4.47Å; K466-P495 HydrophobicContact CB-CG 3.9Å; F470-P495 HydrophobicContact CD2-CB 4.23Å; F470-P495 HydrophobicContact CE2-CB 4.01Å; F470-P495 HydrophobicContact CE2-CG 4.13Å; I486-P495 HydrophobicContact CD1-CB 3.61Å; I486-P495 HydrophobicContact CG1-CB 3.9Å; G487-P495 CarbonylContact O-C 3.59Å; G487-P495 VanDerWaalsContact O-CA 3.27Å; G487-P495 WeakPolarHBondContact O-CA 3.44Å
496R91.9Very high89.1Confident112 Ų11246.3 Ų46.342%0.42324%0.243SC..EExtended strand (participates in β ladder)trans-137.7151.4-178-176.3-177173.7-145.5-5.2110.6I486 G487 D489 K494 N498 A501I486-R496 CarbonylContact C-O 3.52Å; I486-R496 WeakPolarHBondContact CA-O 3.47Å; I486-R496 WeakPolarHBondContact CG1-O 3.12Å; G487-R496 PolarHBondContact N-O 3.33Å; G487-R496 PolarHBondContact O-N 3.34Å; D489-R496 HydrophobicContact CB-CB 4Å; K494-R496 PolarHBondContact O-N 2.83Å; R496-N498 PolarHBondContact O-N 2.88Å; R496-N498 VanDerWaalsContact O-N 3.14Å; R496-A501 VanDerWaalsContact CZ-CB 3.4Å
497D90.8Very high89.1Confident39 Ų3945.9 Ų45.921%0.20924%0.241CC..EExtended strand (participates in β ladder)trans-65.4108.1169.2-175.6-9.3000110.9W485 K499 Q500 A501W485-D497 WeakPolarHBondContact CB-OD1 3.19Å; D497-K499 VanDerWaalsContact C-N 3.31Å; D497-K499 PolarHBondContact O-N 3.47Å; D497-K499 VanDerWaalsContact OD1-CB 3.29Å; D497-K499 WeakPolarHBondContact OD1-CB 3.46Å; D497-K499 PolarHBondContact OD1-N 3.4Å; D497-Q500 HydrophobicContact CB-CB 4.5Å; D497-Q500 HydrophobicContact CB-CG 4.49Å; D497-Q500 PolarHBondContact O-N 3.45Å; D497-Q500 WeakPolarHBondContact OD2-CG 3.37Å; D497-Q500 PolarHBondContact OD2-NE2 3.23Å; D497-A501 PolarHBondContact O-N 3.37Å; D497-A501 VanDerWaalsContact O-N 3.1Å
498N89.4Confident89.1Confident5 Ų548.1 Ų48.13%0.02725%0.252CS..Hα-helixtrans-76.2-19.6-176.9-84.64.2000113.1P410 G411 W485 R496 A501 G502 V503P410-N498 HydrophobicContact CB-CB 4Å; G411-N498 PolarHBondContact O-ND2 3.21Å; W485-N498 PolarHBondContact O-N 2.9Å; R496-N498 PolarHBondContact O-N 2.88Å; R496-N498 VanDerWaalsContact O-N 3.14Å; N498-A501 PolarHBondContact O-N 3Å; N498-G502 PolarHBondContact O-N 2.92Å; N498-G502 VanDerWaalsContact O-N 3.15Å; N498-V503 HydrophobicContact CB-CB 4.05Å; N498-V503 PolarHBondContact O-N 3.44Å
499K87.3Confident89.1Confident70 Ų7047.8 Ų47.830%0.30425%0.25SS..Hα-helixtrans-65.1-43.7172.7-175.2-179.5178.6175.60110.3V138 W485 D497 F504V138-K499 HydrophobicContact CG2-CD 4.49Å; W485-K499 HydrophobicContact CB-CB 4.13Å; W485-K499 HydrophobicContact CG-CB 4.21Å; D497-K499 VanDerWaalsContact C-N 3.31Å; D497-K499 PolarHBondContact O-N 3.47Å; D497-K499 VanDerWaalsContact OD1-CB 3.29Å; D497-K499 WeakPolarHBondContact OD1-CB 3.46Å; D497-K499 PolarHBondContact OD1-N 3.4Å; K499-F504 HydrophobicContact CB-CE1 4.41Å; K499-F504 HydrophobicContact CB-CZ 4.36Å; K499-F504 HydrophobicContact CG-CE1 4.18Å; K499-F504 HydrophobicContact CG-CZ 3.94Å; K499-F504 WeakPolarHBondContact O-CZ 3.22Å
500Q86.6Confident89.3Confident154 Ų15447.1 Ų47.172%0.7225%0.246SC*.Hα-helixtrans-76.3-29177-65.1179.836.900112.5D497 G502D497-Q500 HydrophobicContact CB-CB 4.5Å; D497-Q500 HydrophobicContact CB-CG 4.49Å; D497-Q500 PolarHBondContact O-N 3.45Å; D497-Q500 WeakPolarHBondContact OD2-CG 3.37Å; D497-Q500 PolarHBondContact OD2-NE2 3.23Å; Q500-G502 PolarHBondContact O-N 2.97Å
501A86.4Confident89.6Confident28 Ų2847.3 Ų47.323%0.23125%0.248CC..Hα-helixtrans-68.2-19.7174.500000113.9R496 D497 N498 V503R496-A501 VanDerWaalsContact CZ-CB 3.4Å; D497-A501 PolarHBondContact O-N 3.37Å; D497-A501 VanDerWaalsContact O-N 3.1Å; N498-A501 PolarHBondContact O-N 3Å; A501-V503 HydrophobicContact CB-CG2 3.93Å
502G86.4Confident90.1Very high6 Ų644.2 Ų44.26%0.06222%0.221CC..THydrogen-bonded Turntrans75.527.2-171.700000112.9N150 T154 N498 Q500 F504N150-G502 VanDerWaalsContact CB-O 3.27Å; N150-G502 WeakPolarHBondContact CB-O 3.47Å; T154-G502 PolarHBondContact OG1-O 3.44Å; N498-G502 PolarHBondContact O-N 2.92Å; N498-G502 VanDerWaalsContact O-N 3.15Å; Q500-G502 PolarHBondContact O-N 2.97Å; G502-F504 PolarHBondContact O-N 3.04Å
503V90.6Very high90.6Very high41 Ų4138.9 Ų38.925%0.24819%0.193CC..  trans-96.496178.2-179.50000108.7T154 P410 G411 N498 A501T154-V503 HydrophobicContact CG2-CG1 3.83Å; T154-V503 WeakPolarHBondContact OG1-CA 3.21Å; P410-V503 WeakPolarHBondContact CA-O 3.03Å; G411-V503 PolarHBondContact N-O 3.32Å; N498-V503 HydrophobicContact CB-CB 4.05Å; N498-V503 PolarHBondContact O-N 3.44Å; A501-V503 HydrophobicContact CB-CG2 3.93Å
504F90.9Very high91Very high3 Ų338.6 Ų38.61%0.01319%0.188CC..EExtended strand (participates in β ladder)trans-124.9137.4-174.4-65.4-67000111.9L143 N150 T154 V408 K499 G502L143-F504 HydrophobicContact CD1-CE1 4.35Å; L143-F504 HydrophobicContact CD1-CE2 4.02Å; L143-F504 HydrophobicContact CD1-CZ 3.8Å; N150-F504 HydrophobicContact CB-CD2 4.14Å; T154-F504 PolarHBondContact OG1-N 3.2Å; V408-F504 HydrophobicContact CB-CB 4.27Å; V408-F504 HydrophobicContact CB-CD1 4.45Å; V408-F504 HydrophobicContact CG2-CB 4.4Å; V408-F504 HydrophobicContact CG2-CD1 3.91Å; V408-F504 HydrophobicContact CG2-CE1 4.49Å; V408-F504 HydrophobicContact CG2-CG 4.25Å; K499-F504 HydrophobicContact CB-CE1 4.41Å; K499-F504 HydrophobicContact CB-CZ 4.36Å; K499-F504 HydrophobicContact CG-CE1 4.18Å; K499-F504 HydrophobicContact CG-CZ 3.94Å; K499-F504 WeakPolarHBondContact O-CZ 3.22Å; G502-F504 PolarHBondContact O-N 3.04Å
505E91.3Very high91.2Very high38 Ų3836.7 Ų36.718%0.17818%0.18CC..EExtended strand (participates in β ladder)trans-118.4142.4171.5-67.8173.8-150.400109.1T154 V408 V409 G411 T507 K510T154-E505 HydrophobicContact CG2-CG 4.36Å; V408-E505 CarbonylContact C-O 3.58Å; V408-E505 WeakPolarHBondContact CA-O 3.26Å; V409-E505 HydrophobicContact CG2-CB 4.37Å; V409-E505 WeakPolarHBondContact CG2-O 3.29Å; V409-E505 PolarHBondContact N-O 2.96Å; V409-E505 PolarHBondContact O-N 3.28Å; G411-E505 VanDerWaalsContact CA-OE1 3.28Å; G411-E505 WeakPolarHBondContact CA-OE1 3.4Å; E505-T507 PolarHBondContact O-N 3.12Å; E505-K510 IonicContact OE1-NZ 2.7Å; E505-K510 WeakPolarHBondContact OE2-CE 3.46Å; E505-K510 IonicContact OE2-NZ 3.7Å; E505-K510 PolarHBondContact OE2-NZ 3.15Å
506P91.4Very high91.4Very high1 Ų137.3 Ų37.31%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-58.8134.1172.7-14.119.1000111.3V398 R401 V402 I508 V509V398-P506 HydrophobicContact CB-CG 4.48Å; V398-P506 HydrophobicContact CG1-CG 3.76Å; R401-P506 HydrophobicContact CB-CB 4.06Å; R401-P506 HydrophobicContact CB-CG 4.18Å; V402-P506 HydrophobicContact CG2-CB 4.2Å; V402-P506 HydrophobicContact CG2-CG 3.75Å; P506-I508 HydrophobicContact CB-CG2 4.38Å; P506-I508 PolarHBondContact O-N 3.15Å; P506-I508 VanDerWaalsContact O-N 3.1Å; P506-V509 HydrophobicContact CB-CG2 3.82Å; P506-V509 HydrophobicContact CG-CG2 3.7Å; P506-V509 WeakPolarHBondContact O-CB 3.48Å; P506-V509 PolarHBondContact O-N 3.27Å
507T92.4Very high91.6Very high5 Ų532 Ų323%0.03116%0.159CC..Hα-helixtrans-54.9-35.9177.7-52.20000111.9I132 I137 S407 V408 V409 E505 V509 K510 V511I132-T507 HydrophobicContact CG2-CG2 3.61Å; I137-T507 HydrophobicContact CD1-CG2 4.2Å; I137-T507 HydrophobicContact CG1-CG2 4.13Å; S407-T507 WeakPolarHBondContact CB-OG1 3.23Å; S407-T507 PolarHBondContact O-N 3.45Å; S407-T507 PolarHBondContact O-OG1 2.9Å; S407-T507 VanDerWaalsContact O-OG1 3.13Å; V408-T507 PolarHBondContact N-OG1 3.34Å; V409-T507 HydrophobicContact CG1-CG2 4.14Å; E505-T507 PolarHBondContact O-N 3.12Å; T507-V509 PolarHBondContact O-N 3.23Å; T507-K510 PolarHBondContact O-N 3.47Å; T507-V511 HydrophobicContact CG2-CG2 4.1Å; T507-V511 WeakPolarHBondContact O-CG2 3.29Å; T507-V511 PolarHBondContact O-N 3.13Å
508I91.1Very high91.8Very high46 Ų4630.4 Ų30.424%0.23615%0.151CC..Hα-helixtrans-62.3-30.5-178.3-141.8167.4000112.7R401 P506 K512R401-I508 HydrophobicContact CB-CG2 3.85Å; R401-I508 HydrophobicContact CG-CG2 3.9Å; P506-I508 HydrophobicContact CB-CG2 4.38Å; P506-I508 PolarHBondContact O-N 3.15Å; P506-I508 VanDerWaalsContact O-N 3.1Å; I508-K512 WeakPolarHBondContact O-CB 3.45Å; I508-K512 WeakPolarHBondContact O-CG 3.5Å; I508-K512 PolarHBondContact O-N 3.06Å; I508-K512 VanDerWaalsContact O-N 3.09Å
509V92.1Very high92.1Very high4 Ų436 Ų362%0.02418%0.177CC..Hα-helixtrans-63.8-58.9177.7178.40000108.1V86 P506 T507 V511 K512 S513V86-V509 HydrophobicContact CG1-CB 3.89Å; V86-V509 HydrophobicContact CG1-CG1 4.11Å; V86-V509 HydrophobicContact CG1-CG2 3.25Å; P506-V509 HydrophobicContact CB-CG2 3.82Å; P506-V509 HydrophobicContact CG-CG2 3.7Å; P506-V509 WeakPolarHBondContact O-CB 3.48Å; P506-V509 PolarHBondContact O-N 3.27Å; T507-V509 PolarHBondContact O-N 3.23Å; V509-V511 PolarHBondContact O-N 3.35Å; V509-K512 PolarHBondContact O-N 3.44Å; V509-S513 WeakPolarHBondContact O-CB 3.34Å; V509-S513 PolarHBondContact O-N 3.5Å; V509-S513 PolarHBondContact O-OG 3.4Å
510K93Very high92.5Very high14 Ų1433 Ų336%0.06117%0.165CC..Hα-helixtrans-57.8-45-179.1-65-56.9-152.5-163.70112.8I132 V409 V415 E416 E505 T507 K512 S513 L514I132-K510 HydrophobicContact CD1-CB 4.47Å; V409-K510 HydrophobicContact CG2-CG 3.83Å; V415-K510 HydrophobicContact CG1-CG 4.44Å; E416-K510 WeakPolarHBondContact OE1-CE 3.34Å; E416-K510 IonicContact OE1-NZ 3Å; E416-K510 PolarHBondContact OE1-NZ 3.25Å; E416-K510 IonicContact OE2-NZ 2.96Å; E505-K510 IonicContact OE1-NZ 2.7Å; E505-K510 WeakPolarHBondContact OE2-CE 3.46Å; E505-K510 IonicContact OE2-NZ 3.7Å; E505-K510 PolarHBondContact OE2-NZ 3.15Å; T507-K510 PolarHBondContact O-N 3.47Å; K510-K512 PolarHBondContact O-N 3.11Å; K510-S513 PolarHBondContact O-N 3.01Å; K510-L514 WeakPolarHBondContact O-CG 3.28Å; K510-L514 PolarHBondContact O-N 2.99Å
511V93.7Very high92.9Very high17 Ų1725.6 Ų25.610%0.10313%0.131CC..Hα-helixtrans-63.7-43-178.5171.30000111.5V129 I132 T507 V509 K515V129-V511 HydrophobicContact CG1-CG1 3.93Å; V129-V511 HydrophobicContact CG1-CG2 4.31Å; V129-V511 HydrophobicContact CG2-CG1 4.05Å; I132-V511 HydrophobicContact CD1-CG2 4.38Å; I132-V511 HydrophobicContact CG2-CG2 4.24Å; T507-V511 HydrophobicContact CG2-CG2 4.1Å; T507-V511 WeakPolarHBondContact O-CG2 3.29Å; T507-V511 PolarHBondContact O-N 3.13Å; V509-V511 PolarHBondContact O-N 3.35Å; V511-K515 HydrophobicContact CG1-CD 4.33Å; V511-K515 VanDerWaalsContact O-CG 3.31Å; V511-K515 WeakPolarHBondContact O-CG 3.46Å; V511-K515 PolarHBondContact O-N 3.17Å
512K93.5Very high93.2Very high41 Ų4124.6 Ų24.618%0.17812%0.121CC..Hα-helixtrans-72.2-43.3177.6-75.1-175.9178.2-172.30111.7E85 V86 I508 V509 K510 L514 K515 F516E85-K512 HydrophobicContact CB-CD 4.44Å; E85-K512 PolarHBondContact O-NZ 3.34Å; E85-K512 VanDerWaalsContact O-NZ 3.16Å; E85-K512 IonicContact OE2-NZ 3.66Å; E85-K512 PolarHBondContact OE2-NZ 2.93Å; V86-K512 HydrophobicContact CG2-CB 4.12Å; V86-K512 HydrophobicContact CG2-CD 3.49Å; V86-K512 VanDerWaalsContact CG2-CD 3.49Å; V86-K512 HydrophobicContact CG2-CG 4.41Å; I508-K512 WeakPolarHBondContact O-CB 3.45Å; I508-K512 WeakPolarHBondContact O-CG 3.5Å; I508-K512 PolarHBondContact O-N 3.06Å; I508-K512 VanDerWaalsContact O-N 3.09Å; V509-K512 PolarHBondContact O-N 3.44Å; K510-K512 PolarHBondContact O-N 3.11Å; K512-L514 VanDerWaalsContact C-N 3.32Å; K512-L514 PolarHBondContact O-N 3.05Å; K512-K515 PolarHBondContact O-N 3.02Å; K512-K515 VanDerWaalsContact O-N 3.12Å; K512-F516 HydrophobicContact CB-CD2 4.2Å; K512-F516 HydrophobicContact CB-CE2 3.88Å; K512-F516 HydrophobicContact CB-CZ 4.4Å; K512-F516 HydrophobicContact CD-CE2 4.36Å; K512-F516 HydrophobicContact CD-CZ 4.48Å; K512-F516 HydrophobicContact CG-CE2 4.45Å; K512-F516 WeakPolarHBondContact O-CB 3.41Å; K512-F516 WeakPolarHBondContact O-CD2 3.47Å; K512-F516 VanDerWaalsContact O-CG 3.28Å; K512-F516 WeakPolarHBondContact O-CG 3.38Å; K512-F516 PolarHBondContact O-N 2.99Å
513S94.3Very high93.5Very high3 Ų326.7 Ų26.72%0.02113%0.133CC..Hα-helixtrans-55.6-45.5176.7-60.80000111.7Q82 V509 K510 A517Q82-S513 PolarHBondContact NE2-OG 3.24Å; V509-S513 WeakPolarHBondContact O-CB 3.34Å; V509-S513 PolarHBondContact O-N 3.5Å; V509-S513 PolarHBondContact O-OG 3.4Å; K510-S513 PolarHBondContact O-N 3.01Å; S513-A517 WeakPolarHBondContact O-CB 3.46Å; S513-A517 PolarHBondContact O-N 3.5Å
514L95.4Very high93.6Very high10 Ų1024.9 Ų24.95%0.05212%0.122CC..Hα-helixtrans-63.9-42.8177.1-71.9174.6000112.5A128 I132 L419 L445 K510 K512 T518A128-L514 HydrophobicContact CB-CD1 4.32Å; I132-L514 HydrophobicContact CD1-CD1 3.78Å; L419-L514 HydrophobicContact CD1-CD1 3.92Å; L445-L514 HydrophobicContact CD2-CD2 3.64Å; K510-L514 WeakPolarHBondContact O-CG 3.28Å; K510-L514 PolarHBondContact O-N 2.99Å; K512-L514 VanDerWaalsContact C-N 3.32Å; K512-L514 PolarHBondContact O-N 3.05Å; L514-T518 VanDerWaalsContact O-CB 3.26Å; L514-T518 WeakPolarHBondContact O-CB 3.4Å; L514-T518 PolarHBondContact O-N 3.43Å; L514-T518 PolarHBondContact O-OG1 3.42Å
515K95.5Very high93.6Very high106 Ų10625.3 Ų25.346%0.46112%0.124SC..Hα-helixtrans-63.4-50.1178.7-74.1174.4-179.2-179.30111.5V511 K512 T518 E519V511-K515 HydrophobicContact CG1-CD 4.33Å; V511-K515 VanDerWaalsContact O-CG 3.31Å; V511-K515 WeakPolarHBondContact O-CG 3.46Å; V511-K515 PolarHBondContact O-N 3.17Å; K512-K515 PolarHBondContact O-N 3.02Å; K512-K515 VanDerWaalsContact O-N 3.12Å; K515-T518 PolarHBondContact O-N 3.3Å; K515-E519 WeakPolarHBondContact O-CB 3.49Å; K515-E519 PolarHBondContact O-N 3.42Å
516F95.4Very high93.5Very high40 Ų4030.9 Ų30.918%0.17514%0.144CC..Hα-helixtrans-65-45.9-178.8-65.8-28000111.7L78 Q82 E85 V93 K512 T518 E519 A520L78-F516 HydrophobicContact CD1-CB 3.57Å; L78-F516 WeakPolarHBondContact CD1-O 3.42Å; Q82-F516 VanDerWaalsContact OE1-CD2 3.25Å; E85-F516 HydrophobicContact CB-CE2 4.24Å; E85-F516 HydrophobicContact CB-CZ 4.41Å; E85-F516 HydrophobicContact CG-CE2 4.48Å; E85-F516 HydrophobicContact CG-CZ 4.22Å; V93-F516 HydrophobicContact CG2-CB 4.12Å; K512-F516 HydrophobicContact CB-CD2 4.2Å; K512-F516 HydrophobicContact CB-CE2 3.88Å; K512-F516 HydrophobicContact CB-CZ 4.4Å; K512-F516 HydrophobicContact CD-CE2 4.36Å; K512-F516 HydrophobicContact CD-CZ 4.48Å; K512-F516 HydrophobicContact CG-CE2 4.45Å; K512-F516 WeakPolarHBondContact O-CB 3.41Å; K512-F516 WeakPolarHBondContact O-CD2 3.47Å; K512-F516 VanDerWaalsContact O-CG 3.28Å; K512-F516 WeakPolarHBondContact O-CG 3.38Å; K512-F516 PolarHBondContact O-N 2.99Å; F516-T518 VanDerWaalsContact C-N 3.31Å; F516-T518 PolarHBondContact O-N 2.84Å; F516-E519 PolarHBondContact O-N 3.36Å; F516-A520 WeakPolarHBondContact O-CB 3.48Å; F516-A520 PolarHBondContact O-N 2.69Å
517A96.1Very high93.4Very high0 Ų033.1 Ų33.10%016%0.155CC..Hα-helixtrans-60.2-41.917600000112.1V93 I96 A97 L100 S513 A521V93-A517 HydrophobicContact CG2-CB 3.97Å; I96-A517 HydrophobicContact CB-CB 4.14Å; I96-A517 HydrophobicContact CG2-CB 3.84Å; A97-A517 HydrophobicContact CB-CB 4.07Å; L100-A517 HydrophobicContact CD1-CB 4.47Å; S513-A517 WeakPolarHBondContact O-CB 3.46Å; S513-A517 PolarHBondContact O-N 3.5Å; A517-A521 WeakPolarHBondContact O-CB 3.47Å; A517-A521 PolarHBondContact O-N 3.28Å
518T95.9Very high93Very high6 Ų637 Ų374%0.03718%0.176CC..Hα-helixtrans-63.7-43.4176.5-560000111.1C125 F441 L514 K515 F516 A521 I522C125-T518 HydrophobicContact CB-CG2 4.12Å; F441-T518 HydrophobicContact CE2-CG2 4.43Å; F441-T518 WeakPolarHBondContact CE2-OG1 3.49Å; L514-T518 VanDerWaalsContact O-CB 3.26Å; L514-T518 WeakPolarHBondContact O-CB 3.4Å; L514-T518 PolarHBondContact O-N 3.43Å; L514-T518 PolarHBondContact O-OG1 3.42Å; K515-T518 PolarHBondContact O-N 3.3Å; F516-T518 VanDerWaalsContact C-N 3.31Å; F516-T518 PolarHBondContact O-N 2.84Å; T518-A521 PolarHBondContact O-N 3.32Å; T518-I522 HydrophobicContact CG2-CD1 3.76Å; T518-I522 HydrophobicContact CG2-CG1 4.45Å; T518-I522 WeakPolarHBondContact O-CB 3.42Å; T518-I522 WeakPolarHBondContact O-CD1 3.49Å; T518-I522 WeakPolarHBondContact O-CG1 3.29Å; T518-I522 PolarHBondContact O-N 3.23Å
519E95.1Very high92.7Very high123 Ų12337.8 Ų37.858%0.57518%0.18SC*.Hα-helixtrans-67.5-39.3179.8-175.2165.9-161.900112.8K515 F516 I522 T523K515-E519 WeakPolarHBondContact O-CB 3.49Å; K515-E519 PolarHBondContact O-N 3.42Å; F516-E519 PolarHBondContact O-N 3.36Å; E519-I522 PolarHBondContact O-N 3.21Å; E519-T523 WeakPolarHBondContact O-CB 3.43Å; E519-T523 PolarHBondContact O-N 3.46Å; E519-T523 PolarHBondContact O-OG1 2.71Å
520A94.6Very high92.3Very high6 Ų639.5 Ų39.55%0.0519%0.189CC..Hα-helixtrans-61.9-47.3173.200000111.3V74 L78 A97 F516 I522 T523 I524V74-A520 HydrophobicContact CG1-CB 4.39Å; L78-A520 HydrophobicContact CD1-CB 3.99Å; L78-A520 HydrophobicContact CD2-CB 3.66Å; L78-A520 HydrophobicContact CG-CB 4.35Å; A97-A520 HydrophobicContact CB-CB 4.4Å; F516-A520 WeakPolarHBondContact O-CB 3.48Å; F516-A520 PolarHBondContact O-N 2.69Å; A520-I522 PolarHBondContact O-N 2.94Å; A520-T523 PolarHBondContact O-N 3.1Å; A520-T523 VanDerWaalsContact O-N 3.16Å; A520-I524 PolarHBondContact O-N 3.43Å
521A94.8Very high92Very high0 Ų043.3 Ų43.30%021%0.209CC..Hα-helixtrans-59.8-45.1177.100000111.7L100 L101 A517 T518 T523 I524 L525L100-A521 HydrophobicContact CB-CB 3.94Å; L100-A521 HydrophobicContact CD1-CB 4.35Å; L101-A521 HydrophobicContact CD2-CB 4.18Å; L101-A521 HydrophobicContact CG-CB 4.18Å; A517-A521 WeakPolarHBondContact O-CB 3.47Å; A517-A521 PolarHBondContact O-N 3.28Å; T518-A521 PolarHBondContact O-N 3.32Å; A521-T523 VanDerWaalsContact C-N 3.3Å; A521-T523 PolarHBondContact O-N 3.19Å; A521-I524 PolarHBondContact O-N 2.89Å; A521-L525 WeakPolarHBondContact O-CB 3.34Å; A521-L525 VanDerWaalsContact O-CG 3.22Å; A521-L525 WeakPolarHBondContact O-CG 3.45Å; A521-L525 PolarHBondContact O-N 3.35Å
522I93.5Very high91.5Very high7 Ų748 Ų484%0.03623%0.228CC..Hα-helixtrans-62.8-37.4176.7-68.3166.9000111.7I118 R122 T518 E519 A520 R526I118-I522 HydrophobicContact CB-CG1 4.41Å; I118-I522 HydrophobicContact CD1-CG2 4.24Å; I118-I522 HydrophobicContact CG1-CB 4.49Å; I118-I522 HydrophobicContact CG1-CG1 4.19Å; I118-I522 HydrophobicContact CG1-CG2 4.16Å; I118-I522 HydrophobicContact CG2-CB 4.43Å; I118-I522 HydrophobicContact CG2-CD1 4.08Å; I118-I522 HydrophobicContact CG2-CG1 3.92Å; I118-I522 HydrophobicContact CG2-CG2 3.71Å; R122-I522 HydrophobicContact CG-CD1 3.64Å; T518-I522 HydrophobicContact CG2-CD1 3.76Å; T518-I522 HydrophobicContact CG2-CG1 4.45Å; T518-I522 WeakPolarHBondContact O-CB 3.42Å; T518-I522 WeakPolarHBondContact O-CD1 3.49Å; T518-I522 WeakPolarHBondContact O-CG1 3.29Å; T518-I522 PolarHBondContact O-N 3.23Å; E519-I522 PolarHBondContact O-N 3.21Å; A520-I522 PolarHBondContact O-N 2.94Å; I522-R526 VanDerWaalsContact O-CG 3.29Å; I522-R526 WeakPolarHBondContact O-CG 3.2Å; I522-R526 PolarHBondContact O-N 3.48Å; I522-R526 PolarHBondContact O-NE 2.95Å
523T93Very high91Very high49 Ų4950.9 Ų50.930%0.30125%0.245SC..Hα-helixtrans-67-43.2-179.5-62.50000111.2E519 A520 A521 R526E519-T523 WeakPolarHBondContact O-CB 3.43Å; E519-T523 PolarHBondContact O-N 3.46Å; E519-T523 PolarHBondContact O-OG1 2.71Å; A520-T523 PolarHBondContact O-N 3.1Å; A520-T523 VanDerWaalsContact O-N 3.16Å; A521-T523 VanDerWaalsContact C-N 3.3Å; A521-T523 PolarHBondContact O-N 3.19Å; T523-R526 PolarHBondContact OG1-NH2 3.29Å
524I92.9Very high90.3Very high3 Ų355.1 Ų55.12%0.01526%0.264CS..Hα-helixtrans-72.5-38.2178.4-67163.1000111.6N21 A71 V74 L101 A520 A521 R526 I527N21-I524 HydrophobicContact CB-CG2 3.77Å; A71-I524 HydrophobicContact CB-CD1 4.23Å; A71-I524 HydrophobicContact CB-CG1 4.35Å; A71-I524 HydrophobicContact CB-CG2 4.28Å; V74-I524 HydrophobicContact CB-CD1 4.26Å; V74-I524 HydrophobicContact CB-CG1 4.48Å; V74-I524 HydrophobicContact CG1-CD1 4.11Å; V74-I524 HydrophobicContact CG1-CG1 4.31Å; L101-I524 HydrophobicContact CD1-CB 4.31Å; L101-I524 HydrophobicContact CD1-CD1 3.66Å; L101-I524 HydrophobicContact CD1-CG2 4.17Å; L101-I524 HydrophobicContact CD2-CB 3.81Å; L101-I524 HydrophobicContact CD2-CG2 3.73Å; A520-I524 PolarHBondContact O-N 3.43Å; A521-I524 PolarHBondContact O-N 2.89Å; I524-R526 PolarHBondContact O-N 2.97Å; I524-I527 WeakPolarHBondContact O-CB 3.11Å; I524-I527 WeakPolarHBondContact O-CG1 3.48Å; I524-I527 PolarHBondContact O-N 2.87Å; I524-I527 VanDerWaalsContact O-N 3.12Å
525L90.3Very high89.4Confident12 Ų1260.3 Ų60.36%0.06330%0.298CS..Hα-helixtrans-65.6-20.4178.3-74.6168.8000114.4L101 A104 I118 Y121 A521 I527L101-L525 HydrophobicContact CD2-CD2 4.3Å; L101-L525 HydrophobicContact CD2-CG 3.91Å; A104-L525 HydrophobicContact CB-CD1 3.56Å; A104-L525 HydrophobicContact CB-CD2 3.64Å; A104-L525 HydrophobicContact CB-CG 4.19Å; I118-L525 HydrophobicContact CD1-CB 4.37Å; I118-L525 HydrophobicContact CG1-CB 4.49Å; Y121-L525 HydrophobicContact CE2-CD1 4.31Å; A521-L525 WeakPolarHBondContact O-CB 3.34Å; A521-L525 VanDerWaalsContact O-CG 3.22Å; A521-L525 WeakPolarHBondContact O-CG 3.45Å; A521-L525 PolarHBondContact O-N 3.35Å; L525-I527 VanDerWaalsContact C-N 3.27Å
526R89.6Confident88.3Confident156 Ų15662.7 Ų62.759%0.58931%0.311SS*.THydrogen-bonded Turntrans-80.2-8.1176.2-75.4-177.2-65.51670.5113.4I118 I522 T523 I524 D528I118-R526 HydrophobicContact CD1-CG 3.75Å; I522-R526 VanDerWaalsContact O-CG 3.29Å; I522-R526 WeakPolarHBondContact O-CG 3.2Å; I522-R526 PolarHBondContact O-N 3.48Å; I522-R526 PolarHBondContact O-NE 2.95Å; T523-R526 PolarHBondContact OG1-NH2 3.29Å; I524-R526 PolarHBondContact O-N 2.97Å; R526-D528 PolarHBondContact O-N 2.9Å
527I88.5Confident86.6Confident48 Ų4863.3 Ų63.325%0.24632%0.32CS..  trans-80.5116.3179.4-56.5172.5000108.5I17 I524 L525I17-I527 HydrophobicContact CG1-CG2 4.46Å; I524-I527 WeakPolarHBondContact O-CB 3.11Å; I524-I527 WeakPolarHBondContact O-CG1 3.48Å; I524-I527 PolarHBondContact O-N 2.87Å; I524-I527 VanDerWaalsContact O-N 3.12Å; L525-I527 VanDerWaalsContact C-N 3.27Å
528D83.7Confident84.8Confident87 Ų8772.3 Ų72.347%0.46536%0.359SS..  trans-106-29.2174.5-164.242.3000112.6T13 G14 I17 R18 R526T13-D528 CarbonylContact C-O 3.41Å; G14-D528 PolarHBondContact N-O 3.45Å; I17-D528 WeakPolarHBondContact CG2-O 3.42Å; R18-D528 IonicContact CZ-OD1 3.87Å; R18-D528 IonicContact NH1-OD1 3.11Å; R18-D528 PolarHBondContact NH1-OD1 2.73Å; R526-D528 PolarHBondContact O-N 2.9Å
529D85.1Confident82.7Confident62 Ų6278.6 Ų78.633%0.33239%0.393SS..EExtended strand (participates in β ladder)trans-130.9130.2-179.9-74.9-7.3000110.7R11 S12 T13R11-D529 IonicContact CZ-OD2 3.46Å; R11-D529 IonicContact NE-OD2 3.47Å; R11-D529 PolarHBondContact NE-OD2 3.15Å; R11-D529 IonicContact NH2-OD2 2.69Å; R11-D529 PolarHBondContact NH2-OD2 2.84Å; S12-D529 WeakPolarHBondContact O-CA 3.48Å; T13-D529 WeakPolarHBondContact CA-OD1 3.03Å; T13-D529 WeakPolarHBondContact CB-OD1 3.39Å; T13-D529 HydrophobicContact CG2-CB 4.46Å; T13-D529 WeakPolarHBondContact CG2-OD1 3.06Å
530L84.6Confident80.6Confident39 Ų3978.7 Ų78.720%0.20440%0.397CS..EExtended strand (participates in β ladder)trans-106.3123.3167.5178.673.3000108.9R11 S12 I17 P70R11-L530 WeakPolarHBondContact CA-O 3.08Å; S12-L530 PolarHBondContact N-O 2.89Å; S12-L530 PolarHBondContact O-N 3.26Å; I17-L530 HydrophobicContact CD1-CB 3.35Å; I17-L530 HydrophobicContact CD1-CD2 3.55Å; I17-L530 HydrophobicContact CD1-CG 4.01Å; I17-L530 HydrophobicContact CG1-CB 3.61Å; P70-L530 HydrophobicContact CG-CD1 4Å
531I86.8Confident78.5Confident95 Ų9586 Ų8649%0.48743%0.428SS..EExtended strand (participates in β ladder)trans-117115.6175.8-56.5168.5000107.2R11 L533R11-I531 HydrophobicContact CG-CG1 4.11Å; I531-L533 HydrophobicContact CG2-CD2 4.23Å
532K82.2Confident76.2Confident115 Ų11594.1 Ų94.150%0.547%0.465SS..EExtended strand (participates in β ladder)trans-108.4115173.7-171.1179.2-177.7179.20108.3G9 D10G9-K532 CarbonylContact C-O 3.19Å; G9-K532 WeakPolarHBondContact CA-O 3.33Å; D10-K532 PolarHBondContact N-O 3.47Å; D10-K532 PolarHBondContact O-N 3.43Å
533L84.3Confident74.1Confident101 Ų10196.4 Ų96.453%0.52949%0.491SS..EExtended strand (participates in β ladder)trans-86.5133.2172.2-59.8177.1000108.5L5 V7 I531L5-L533 HydrophobicContact CD2-CD2 4.46Å; V7-L533 HydrophobicContact CB-CD2 4.48Å; V7-L533 HydrophobicContact CG1-CD2 3.96Å; I531-L533 HydrophobicContact CG2-CD2 4.23Å
534H80Confident72.3Confident92 Ų9296.4 Ų96.443%0.42649%0.493SS..PPolyproline II helixtrans-67.2135.6170.5-67-61.7000108.7F8 G9 D10 E536F8-H534 HydrophobicContact CB-CB 4.31Å; F8-H534 PolarHBondContact O-CD2 3.17Å; F8-H534 PolarHBondContact O-N 2.69Å; G9-H534 PolarHBondContact N-CD2 3.45Å; D10-H534 IonicContact OD2-CE1 4Å; H534-E536 PolarHBondContact O-N 3.36Å
535P76Confident70.6Confident119 Ų119105 Ų10577%0.77353%0.527SS*.PPolyproline II helixtrans-59.8133.7174.123.9-30.4000109S537P535-S537 PolarHBondContact O-N 3.27Å
536E71.8Confident68.9Low156 Ų156111.4 Ų111.473%0.72956%0.556SS**PPolyproline II helixtrans-55.8128.8173.1-73.6179.9168.500109.1H534 K538H534-E536 PolarHBondContact O-N 3.36Å; E536-K538 PolarHBondContact O-N 3.43Å
537S59.6Low67.4Low53 Ų53108.5 Ų108.537%0.37155%0.552SS.*PPolyproline II helixtrans-62.7136.6175.486.20000108.2P535 D539 D540P535-S537 PolarHBondContact O-N 3.27Å; S537-D539 PolarHBondContact O-N 2.93Å; S537-D539 VanDerWaalsContact O-N 3.15Å; S537-D540 PolarHBondContact O-N 3.49Å; S537-D540 VanDerWaalsContact O-N 3.17Å; S537-D540 PolarHBondContact OG-N 3.39Å; S537-D540 PolarHBondContact OG-OD2 2.65Å
538K57.8Low66Low189 Ų189107.8 Ų107.882%0.82255%0.553SS**G310 helixtrans-65.5-13.9177.5-79.2-176.9178175.60112.5E536 D540E536-K538 PolarHBondContact O-N 3.43Å; K538-D540 VanDerWaalsContact C-N 3.35Å
539D53.6Low64.8Low138 Ų138107.2 Ų107.274%0.73855%0.553SS**G310 helixtrans-74.9-24.6176.3-66.6-30.5000112.1S537 K541 H542S537-D539 PolarHBondContact O-N 2.93Å; S537-D539 VanDerWaalsContact O-N 3.15Å; D539-K541 PolarHBondContact O-N 3.02Å; D539-H542 PolarHBondContact O-N 3.25Å
540D51.1Low63.5Low125 Ų125112.3 Ų112.367%0.66857%0.574SS**G310 helixtrans-76.1-5.2177.2-66.4-46.2000113.8S537 K538S537-D540 PolarHBondContact O-N 3.49Å; S537-D540 VanDerWaalsContact O-N 3.17Å; S537-D540 PolarHBondContact OG-N 3.39Å; S537-D540 PolarHBondContact OG-OD2 2.65Å; K538-D540 VanDerWaalsContact C-N 3.35Å
541K49.5Very low62.5Low161 Ų161114.4 Ų114.470%0.759%0.592SS**G310 helixtrans-88.2-12176.1-73.1-169.5177.9-177.50114D539D539-K541 PolarHBondContact O-N 3.02Å
542H45.7Very low61.1Low169 Ų169112 Ų11278%0.78259%0.59SS**SBendtrans-100.982.1162.8-76.8-51.8000107.6D539 S544D539-H542 PolarHBondContact O-N 3.25Å; H542-S544 PolarHBondContact O-N 3.27Å
543G49.8Very low59.8Low55 Ų55110.2 Ų110.257%0.56760%0.598SS**  trans-45.7120.2159.600000107.1
544S55.7Low58.1Low49 Ų49110.5 Ų110.534%0.34360%0.599SS.*  trans-55.8151179.569.60000108.1H542 E546 D547 A548H542-S544 PolarHBondContact O-N 3.27Å; S544-E546 PolarHBondContact O-N 3.2Å; S544-D547 PolarHBondContact N-OD2 3.48Å; S544-D547 PolarHBondContact O-N 3.33Å; S544-D547 VanDerWaalsContact OG-CG 3.28Å; S544-D547 PolarHBondContact OG-N 2.84Å; S544-D547 PolarHBondContact OG-OD2 3.24Å; S544-A548 PolarHBondContact O-N 2.75Å
545Y56.3Low56.6Low185 Ų185113 Ų11373%0.72562%0.616SS**Hα-helixtrans-52.4-29.4174.7-176.5-93.8000111.5A548 V549Y545-A548 PolarHBondContact O-N 2.89Å; Y545-V549 HydrophobicContact CD1-CG2 4.08Å; Y545-V549 HydrophobicContact CE1-CG2 3.79Å; Y545-V549 VanDerWaalsContact O-CG2 3.31Å; Y545-V549 WeakPolarHBondContact O-CG2 3.31Å; Y545-V549 PolarHBondContact O-N 3.03Å
546E55.3Low55.1Low145 Ų145119 Ų11968%0.67864%0.641SS**Hα-helixtrans-64.8-37.9174.4-67.8-177.9152.200113.1S544 V549 H550S544-E546 PolarHBondContact O-N 3.2Å; E546-V549 PolarHBondContact O-N 3.47Å; E546-H550 WeakPolarHBondContact O-CB 3.38Å; E546-H550 PolarHBondContact O-CD2 2.95Å; E546-H550 VanDerWaalsContact O-CD2 3.32Å; E546-H550 PolarHBondContact O-N 3.39Å
547D59.1Low54.3Low96 Ų96117.1 Ų117.151%0.51364%0.636SS.*Hα-helixtrans-69-35.7178.3-66.3-49.9000112.2S544 H550 S551S544-D547 PolarHBondContact N-OD2 3.48Å; S544-D547 PolarHBondContact O-N 3.33Å; S544-D547 VanDerWaalsContact OG-CG 3.28Å; S544-D547 PolarHBondContact OG-N 2.84Å; S544-D547 PolarHBondContact OG-OD2 3.24Å; D547-H550 PolarHBondContact O-N 3.25Å; D547-S551 WeakPolarHBondContact O-CB 3.43Å; D547-S551 PolarHBondContact O-N 2.99Å; D547-S551 PolarHBondContact O-OG 3.42Å
548A57.2Low54Low32 Ų32120.5 Ų120.526%0.26465%0.65SS.*Hα-helixtrans-72.1-32.4177.300000112.9S544 Y545 S551 L554S544-A548 PolarHBondContact O-N 2.75Å; Y545-A548 PolarHBondContact O-N 2.89Å; A548-S551 PolarHBondContact O-OG 3.35Å; A548-L554 HydrophobicContact CB-CD1 4.1Å
549V59.7Low53.8Low76 Ų76116.7 Ų116.746%0.46164%0.641SS.*Hα-helixtrans-72.2-41.4173173.40000110.3Y545 E546 S551 G552Y545-V549 HydrophobicContact CD1-CG2 4.08Å; Y545-V549 HydrophobicContact CE1-CG2 3.79Å; Y545-V549 VanDerWaalsContact O-CG2 3.31Å; Y545-V549 WeakPolarHBondContact O-CG2 3.31Å; Y545-V549 PolarHBondContact O-N 3.03Å; E546-V549 PolarHBondContact O-N 3.47Å; V549-S551 PolarHBondContact O-N 3.43Å; V549-G552 PolarHBondContact O-N 3.18Å
550H56.8Low53.8Low169 Ų169115.4 Ų115.478%0.78264%0.635SS**Hα-helixtrans-69.6-29177.4-87.9-61.1000113.9E546 D547 G552E546-H550 WeakPolarHBondContact O-CB 3.38Å; E546-H550 PolarHBondContact O-CD2 2.95Å; E546-H550 VanDerWaalsContact O-CD2 3.32Å; E546-H550 PolarHBondContact O-N 3.39Å; D547-H550 PolarHBondContact O-N 3.25Å; H550-G552 VanDerWaalsContact C-N 3.26Å; H550-G552 PolarHBondContact O-N 3.32Å
551S63.6Low54Low83 Ų83114.8 Ų114.858%0.5863%0.633SS**THydrogen-bonded Turntrans-80.5-1.1177.374.20000114.2D547 A548 V549 A553D547-S551 WeakPolarHBondContact O-CB 3.43Å; D547-S551 PolarHBondContact O-N 2.99Å; D547-S551 PolarHBondContact O-OG 3.42Å; A548-S551 PolarHBondContact O-OG 3.35Å; V549-S551 PolarHBondContact O-N 3.43Å; S551-A553 PolarHBondContact O-N 3.48Å
552G57.8Low54.3Low43 Ų43111.7 Ų111.744%0.44363%0.629SS.*THydrogen-bonded Turntrans6418.6179.900000114.4V549 H550 L554V549-G552 PolarHBondContact O-N 3.18Å; H550-G552 VanDerWaalsContact C-N 3.26Å; H550-G552 PolarHBondContact O-N 3.32Å; G552-L554 VanDerWaalsContact C-N 3.3Å
553A55.9Low54.9Low79 Ų79107.6 Ų107.665%0.65362%0.618SS**  trans-81.1-14.5-179.500000112.5S551S551-A553 PolarHBondContact O-N 3.48Å
554L48.8Very low55.3Low106 Ų106111.7 Ų111.756%0.55562%0.621SS**  trans-121.598.3170.6-74.4158.7000107.3A548 G552A548-L554 HydrophobicContact CB-CD1 4.1Å; G552-L554 VanDerWaalsContact C-N 3.3Å
555N48.4Very low55.3Low146 Ų146116.9 Ų116.978%0.78165%0.645SS**  trans-86.9137.9156.2-73-27.5000106.8
556D44.5Very low55.2Low243 Ų243110.7 Ų110.7100%1.29964%0.637SS**  trans-30.60-179-74.4-35.5000116.6

Retrieved 556 of 556 residues in 167.6 ms (Link to these results)

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