A0A077YZX1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZX1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1P36.3Very low46.9Very low136 Ų13658.5 Ų58.588%0.88327%0.273SS*.  0111.9012.410.7000110.2Y3P1-Y3 WeakPolarHBondContact O-CD2 3.44Å; P1-Y3 WeakPolarHBondContact O-CE2 3.5Å
2Y31.1Very low48.2Very low191 Ų19155.3 Ų55.375%0.74926%0.257SS*.  trans-76.3126.9178.1-58-83.2000109.5N80Y2-N80 WeakPolarHBondContact CB-ND2 3.36Å; Y2-N80 WeakPolarHBondContact CB-OD1 2.84Å; Y2-N80 HydrophobicContact CD1-CB 4.29Å; Y2-N80 HydrophobicContact CG-CB 4.28Å
3Y35.5Very low49.2Very low120 Ų12051.6 Ų51.647%0.47124%0.241SC..  trans-95.2142.3-169.1-67.9-77.5000111.6P1 Y5 E38 N80 R81P1-Y3 WeakPolarHBondContact O-CD2 3.44Å; P1-Y3 WeakPolarHBondContact O-CE2 3.5Å; Y3-Y5 VanDerWaalsContact CB-CE2 3.41Å; Y3-Y5 WeakPolarHBondContact O-CD2 3.07Å; Y3-E38 WeakPolarHBondContact CA-OE1 3.21Å; Y3-E38 VanDerWaalsContact CB-OE1 3.26Å; Y3-E38 WeakPolarHBondContact CB-OE1 3.41Å; Y3-E38 WeakPolarHBondContact CD1-OE1 3.35Å; Y3-N80 CarbonylContact O-C 3.5Å; Y3-N80 WeakPolarHBondContact O-CA 3.34Å; Y3-R81 PolarHBondContact O-N 3.08Å
4I39.3Very low50Low41 Ų4148.1 Ų48.121%0.2122%0.224CC..  trans-104.5112.8-167.2-57.7176000109.3T37 E38 R74 N77I4-T37 PolarHBondContact O-OG1 2.83Å; I4-E38 PolarHBondContact N-OE1 3.04Å; I4-E38 WeakPolarHBondContact O-CG 3.06Å; I4-R74 VanDerWaalsContact CD1-O 3.23Å; I4-R74 WeakPolarHBondContact CD1-O 3.44Å; I4-N77 HydrophobicContact CG2-CB 3.74Å; I4-N77 WeakPolarHBondContact CG2-ND2 3.34Å
5Y41.9Very low50.8Low65 Ų6553.8 Ų53.826%0.25525%0.248SC..  trans-119.275.5-172.2-66.3-83.7000111.8Y3 P82 L87Y3-Y5 VanDerWaalsContact CB-CE2 3.41Å; Y3-Y5 WeakPolarHBondContact O-CD2 3.07Å; Y5-P82 HydrophobicContact CD1-CG 4.19Å; Y5-P82 VanDerWaalsContact CD2-CD 3.45Å; Y5-P82 HydrophobicContact CD2-CG 3.87Å; Y5-P82 HydrophobicContact CE2-CG 4.36Å; Y5-P82 HydrophobicContact CG-CB 4.47Å; Y5-P82 HydrophobicContact CG-CG 3.75Å; Y5-L87 HydrophobicContact CD1-CD2 4.01Å
6F43.9Very low51.2Low5 Ų551.7 Ų51.72%0.02224%0.243CC..  trans-98157.7156-169.5-108.2000108S36 T37 Y73 C86 L164F6-S36 CarbonylContact O-C 3.57Å; F6-S36 WeakPolarHBondContact O-CA 3.35Å; F6-T37 HydrophobicContact CB-CG2 3.81Å; F6-T37 HydrophobicContact CD1-CG2 4.21Å; F6-T37 PolarHBondContact N-OG1 3.21Å; F6-T37 WeakPolarHBondContact O-CG2 3.3Å; F6-T37 PolarHBondContact O-N 3.01Å; F6-T37 PolarHBondContact O-OG1 3.38Å; F6-T37 VanDerWaalsContact O-OG1 3.05Å; F6-Y73 AromaticContact CD1-CD1 3.57Å; F6-Y73 HydrophobicContact CD1-CD1 3.57Å; F6-Y73 HydrophobicContact CD1-CD2 4.11Å; F6-Y73 HydrophobicContact CD1-CE1 4.11Å; F6-Y73 AromaticContact CD1-CG 3.59Å; F6-Y73 HydrophobicContact CD1-CG 3.59Å; F6-Y73 AromaticContact CE1-CD1 3.54Å; F6-Y73 HydrophobicContact CE1-CD1 3.54Å; F6-Y73 HydrophobicContact CE1-CD2 4.05Å; F6-Y73 AromaticContact CE1-CE1 3.58Å; F6-Y73 HydrophobicContact CE1-CE1 3.58Å; F6-Y73 HydrophobicContact CE1-CE2 4.04Å; F6-Y73 AromaticContact CE1-CG 3.81Å; F6-Y73 HydrophobicContact CE1-CG 3.81Å; F6-Y73 AromaticContact CE1-CZ 3.82Å; F6-Y73 HydrophobicContact CG-CD1 4.44Å; F6-Y73 HydrophobicContact CZ-CD1 4.4Å; F6-Y73 HydrophobicContact CZ-CE1 4.19Å; F6-C86 HydrophobicContact CD2-CB 4.33Å; F6-C86 HydrophobicContact CE2-CB 4.28Å; F6-C86 WeakPolarHBondContact CE2-SG 3.43Å; F6-L164 HydrophobicContact CE1-CD1 4.49Å; F6-L164 HydrophobicContact CE2-CD1 4.21Å; F6-L164 HydrophobicContact CE2-CD2 3.27Å; F6-L164 HydrophobicContact CE2-CG 4.13Å; F6-L164 HydrophobicContact CZ-CD1 3.8Å; F6-L164 HydrophobicContact CZ-CD2 3.27Å; F6-L164 HydrophobicContact CZ-CG 3.66Å
7S54.3Low51.6Low2 Ų252.1 Ų52.11%0.01424%0.244CC..  trans-140.4134.6177.2159.50000109.9L35 C86S7-L35 WeakPolarHBondContact CB-O 3.45Å; S7-L35 PolarHBondContact OG-O 2.72Å; S7-C86 WeakPolarHBondContact CB-O 3.13Å; S7-C86 PolarHBondContact OG-O 2.7Å
8I55.4Low51.8Low9 Ų955.1 Ų55.15%0.04627%0.271CS..  trans-72133.6178-57-177.9000108I10 I13 V66 I69 L70I8-I10 VanDerWaalsContact C-N 3.3Å; I8-I10 PolarHBondContact O-N 2.94Å; I8-I13 HydrophobicContact CB-CD1 4.25Å; I8-I13 HydrophobicContact CD1-CD1 4.21Å; I8-I13 HydrophobicContact CG2-CD1 3.46Å; I8-I13 VanDerWaalsContact CG2-CD1 3.46Å; I8-I13 HydrophobicContact CG2-CG1 3.71Å; I8-V66 HydrophobicContact CD1-CG1 4.3Å; I8-I69 HydrophobicContact CD1-CG2 4.05Å; I8-L70 HydrophobicContact CD1-CD2 3.19Å; I8-L70 HydrophobicContact CD1-CG 3.5Å; I8-L70 VanDerWaalsContact CD1-CG 3.5Å; I8-L70 HydrophobicContact CG1-CD2 3.7Å
9K60Low52.1Low46 Ų4652.4 Ų52.420%0.226%0.258CS..  trans-59.798.4159.9-86.9-174.5170179.50108.1N11 F12 I13 T178K9-N11 VanDerWaalsContact C-N 3.28Å; K9-N11 PolarHBondContact O-N 3.48Å; K9-F12 HydrophobicContact CB-CB 3.59Å; K9-F12 HydrophobicContact CB-CG 4.49Å; K9-F12 HydrophobicContact CD-CB 4.38Å; K9-F12 WeakPolarHBondContact O-CA 3.36Å; K9-F12 WeakPolarHBondContact O-CB 3.44Å; K9-F12 PolarHBondContact O-N 2.8Å; K9-I13 PolarHBondContact O-N 2.76Å; K9-T178 WeakPolarHBondContact CE-O 3.46Å; K9-T178 PolarHBondContact NZ-O 2.82Å
10I60.2Low52.5Low4 Ų454.4 Ų54.42%0.02127%0.27CS..Hα-helixtrans-65.6-38.1176.2-79.3162.8000109.7I8 F12 I13 L14 L35 I42 I90I8-I10 VanDerWaalsContact C-N 3.3Å; I8-I10 PolarHBondContact O-N 2.94Å; I10-F12 CarbonylContact O-C 3.6Å; I10-F12 PolarHBondContact O-N 2.92Å; I10-I13 HydrophobicContact CG1-CD1 4.39Å; I10-I13 WeakPolarHBondContact O-CA 3.15Å; I10-I13 WeakPolarHBondContact O-CB 3.05Å; I10-I13 PolarHBondContact O-N 3.1Å; I10-L14 HydrophobicContact CG2-CD1 3.54Å; I10-L14 HydrophobicContact CG2-CG 3.82Å; I10-L14 WeakPolarHBondContact O-CB 3.34Å; I10-L14 WeakPolarHBondContact O-CG 3.49Å; I10-L14 PolarHBondContact O-N 3.48Å; I10-L35 HydrophobicContact CD1-CB 4.18Å; I10-L35 HydrophobicContact CD1-CD1 3.25Å; I10-L35 HydrophobicContact CD1-CG 4.22Å; I10-I42 HydrophobicContact CD1-CD1 4.38Å; I10-I42 HydrophobicContact CD1-CG2 3.56Å; I10-I42 HydrophobicContact CG1-CG2 4.29Å; I10-I90 HydrophobicContact CB-CD1 3.39Å; I10-I90 HydrophobicContact CD1-CD1 3.48Å; I10-I90 VanDerWaalsContact CD1-CD1 3.48Å; I10-I90 HydrophobicContact CG1-CD1 4.02Å; I10-I90 HydrophobicContact CG2-CD1 3.35Å
11N58.3Low52.9Low25 Ų2555.3 Ų55.313%0.13428%0.276CS..Hα-helixtrans-52-30.3171.5-171.7-37.3000111.9K9 L14 K15 E109K9-N11 VanDerWaalsContact C-N 3.28Å; K9-N11 PolarHBondContact O-N 3.48Å; N11-L14 PolarHBondContact O-N 3.36Å; N11-K15 WeakPolarHBondContact O-CB 3.11Å; N11-K15 VanDerWaalsContact O-CG 3.28Å; N11-K15 WeakPolarHBondContact O-CG 3.46Å; N11-K15 PolarHBondContact O-N 3.48Å; N11-K15 WeakPolarHBondContact OD1-CE 3.38Å; N11-E109 HydrophobicContact CB-CG 4.05Å; N11-E109 WeakPolarHBondContact CB-OE1 3.33Å; N11-E109 PolarHBondContact N-OE1 3.25Å
12F62.5Low54.5Low19 Ų1950.5 Ų50.58%0.08324%0.24CC..Hα-helixtrans-73-44.4171.9154.9-73000113.8K9 I10 L14 K15 A16 L161 L163K9-F12 HydrophobicContact CB-CB 3.59Å; K9-F12 HydrophobicContact CB-CG 4.49Å; K9-F12 HydrophobicContact CD-CB 4.38Å; K9-F12 WeakPolarHBondContact O-CA 3.36Å; K9-F12 WeakPolarHBondContact O-CB 3.44Å; K9-F12 PolarHBondContact O-N 2.8Å; I10-F12 CarbonylContact O-C 3.6Å; I10-F12 PolarHBondContact O-N 2.92Å; F12-L14 PolarHBondContact O-N 3.4Å; F12-K15 PolarHBondContact O-N 2.82Å; F12-A16 PolarHBondContact O-N 3.3Å; F12-L161 HydrophobicContact CD1-CD1 4.39Å; F12-L161 HydrophobicContact CD2-CB 4.33Å; F12-L161 HydrophobicContact CD2-CD1 4.03Å; F12-L161 HydrophobicContact CD2-CD2 3.37Å; F12-L161 HydrophobicContact CD2-CG 3.98Å; F12-L161 HydrophobicContact CE1-CD1 3.57Å; F12-L161 HydrophobicContact CE1-CG 4.38Å; F12-L161 HydrophobicContact CE2-CB 3.13Å; F12-L161 HydrophobicContact CE2-CD1 3.27Å; F12-L161 HydrophobicContact CE2-CD2 3.01Å; F12-L161 HydrophobicContact CE2-CG 3.13Å; F12-L161 HydrophobicContact CG-CD2 4.43Å; F12-L161 HydrophobicContact CZ-CB 3.26Å; F12-L161 HydrophobicContact CZ-CD1 2.96Å; F12-L161 HydrophobicContact CZ-CD2 3.78Å; F12-L161 HydrophobicContact CZ-CG 3.36Å; F12-L163 HydrophobicContact CB-CD2 4.46Å; F12-L163 HydrophobicContact CD1-CD2 3.62Å; F12-L163 HydrophobicContact CD2-CD2 3.54Å; F12-L163 HydrophobicContact CD2-CG 4.29Å; F12-L163 HydrophobicContact CE1-CD1 3.97Å; F12-L163 HydrophobicContact CE1-CD2 3.54Å; F12-L163 HydrophobicContact CE1-CG 4.04Å; F12-L163 HydrophobicContact CE2-CD1 4.24Å; F12-L163 HydrophobicContact CE2-CD2 3.25Å; F12-L163 HydrophobicContact CE2-CG 3.51Å; F12-L163 HydrophobicContact CG-CD2 3.66Å; F12-L163 HydrophobicContact CZ-CD1 3.58Å; F12-L163 HydrophobicContact CZ-CD2 3.28Å; F12-L163 HydrophobicContact CZ-CG 3.39Å
13I61.6Low56.3Low8 Ų848.8 Ų48.84%0.04124%0.239CC..Hα-helixtrans-55.5-41.3173.9-69.4174000107.3I8 K9 I10 A16 F17 L59 V66I8-I13 HydrophobicContact CB-CD1 4.25Å; I8-I13 HydrophobicContact CD1-CD1 4.21Å; I8-I13 HydrophobicContact CG2-CD1 3.46Å; I8-I13 VanDerWaalsContact CG2-CD1 3.46Å; I8-I13 HydrophobicContact CG2-CG1 3.71Å; K9-I13 PolarHBondContact O-N 2.76Å; I10-I13 HydrophobicContact CG1-CD1 4.39Å; I10-I13 WeakPolarHBondContact O-CA 3.15Å; I10-I13 WeakPolarHBondContact O-CB 3.05Å; I10-I13 PolarHBondContact O-N 3.1Å; I13-A16 WeakPolarHBondContact O-CB 3.23Å; I13-A16 PolarHBondContact O-N 3.48Å; I13-F17 HydrophobicContact CG2-CD2 3.92Å; I13-F17 HydrophobicContact CG2-CE2 3.59Å; I13-F17 WeakPolarHBondContact O-CD2 3.41Å; I13-F17 WeakPolarHBondContact O-CE2 3.23Å; I13-F17 PolarHBondContact O-N 2.9Å; I13-L59 HydrophobicContact CG2-CD2 3.78Å; I13-V66 HydrophobicContact CD1-CB 4.46Å; I13-V66 HydrophobicContact CD1-CG1 3.76Å; I13-V66 HydrophobicContact CD1-CG2 3.8Å; I13-V66 HydrophobicContact CG1-CG2 4.39Å; I13-V66 HydrophobicContact CG2-CG2 3.87Å
14L59.5Low58.3Low2 Ų243.1 Ų43.11%0.0122%0.217CC..Hα-helixtrans-69.8-41.8-178.9-62.7-177.1000113I10 N11 F12 A16 F17 S18 V19 L55 L59 I107I10-L14 HydrophobicContact CG2-CD1 3.54Å; I10-L14 HydrophobicContact CG2-CG 3.82Å; I10-L14 WeakPolarHBondContact O-CB 3.34Å; I10-L14 WeakPolarHBondContact O-CG 3.49Å; I10-L14 PolarHBondContact O-N 3.48Å; N11-L14 PolarHBondContact O-N 3.36Å; F12-L14 PolarHBondContact O-N 3.4Å; L14-A16 PolarHBondContact O-N 3.2Å; L14-F17 CarbonylContact O-C 3.4Å; L14-F17 VanDerWaalsContact O-C 3.24Å; L14-F17 WeakPolarHBondContact O-CA 3.46Å; L14-F17 PolarHBondContact O-N 3.08Å; L14-S18 PolarHBondContact O-N 3.02Å; L14-V19 HydrophobicContact CB-CB 3.82Å; L14-V19 HydrophobicContact CB-CG1 4.03Å; L14-V19 HydrophobicContact CB-CG2 4.34Å; L14-V19 HydrophobicContact CD2-CG2 4.47Å; L14-V19 VanDerWaalsContact O-CB 3.27Å; L14-V19 WeakPolarHBondContact O-CB 3.45Å; L14-V19 PolarHBondContact O-N 3.22Å; L14-L55 HydrophobicContact CD1-CD1 3.43Å; L14-L55 VanDerWaalsContact CD1-CD1 3.43Å; L14-L55 HydrophobicContact CD2-CD1 3.08Å; L14-L55 HydrophobicContact CG-CD1 3.86Å; L14-L59 HydrophobicContact CD2-CD1 4.2Å; L14-L59 HydrophobicContact CD2-CD2 3.71Å; L14-L59 HydrophobicContact CD2-CG 3.89Å; L14-I107 HydrophobicContact CD1-CD1 3.12Å; L14-I107 HydrophobicContact CD1-CG2 4.45Å; L14-I107 HydrophobicContact CG-CD1 4.46Å
15K61.8Low60.3Low134 Ų13445.6 Ų45.658%0.58324%0.236SC*.Hα-helixtrans-58.7-36.8169.6-78.9178.7178.8-161.90112.1N11 F12 F17 S18N11-K15 WeakPolarHBondContact O-CB 3.11Å; N11-K15 VanDerWaalsContact O-CG 3.28Å; N11-K15 WeakPolarHBondContact O-CG 3.46Å; N11-K15 PolarHBondContact O-N 3.48Å; N11-K15 WeakPolarHBondContact OD1-CE 3.38Å; F12-K15 PolarHBondContact O-N 2.82Å; K15-F17 PolarHBondContact O-N 3.45Å; K15-S18 PolarHBondContact O-N 3.16Å
16A58Low62.3Low20 Ų2046.4 Ų46.417%0.16525%0.248CC..Hα-helixtrans-65.4-20.5174.600000112.9F12 I13 L14 L157 L161F12-A16 PolarHBondContact O-N 3.3Å; I13-A16 WeakPolarHBondContact O-CB 3.23Å; I13-A16 PolarHBondContact O-N 3.48Å; L14-A16 PolarHBondContact O-N 3.2Å; A16-L157 HydrophobicContact CB-CD2 3.74Å; A16-L157 HydrophobicContact CB-CG 4.26Å; A16-L157 WeakPolarHBondContact O-CD2 3.49Å; A16-L161 HydrophobicContact CB-CD1 4.34Å
17F57.4Low64.3Low59 Ų5947.4 Ų47.426%0.25926%0.259SS..THydrogen-bonded Turntrans-103.123.3171.7-62.5-65.7000113.1I13 L14 K15 V19 M58 A62I13-F17 HydrophobicContact CG2-CD2 3.92Å; I13-F17 HydrophobicContact CG2-CE2 3.59Å; I13-F17 WeakPolarHBondContact O-CD2 3.41Å; I13-F17 WeakPolarHBondContact O-CE2 3.23Å; I13-F17 PolarHBondContact O-N 2.9Å; L14-F17 CarbonylContact O-C 3.4Å; L14-F17 VanDerWaalsContact O-C 3.24Å; L14-F17 WeakPolarHBondContact O-CA 3.46Å; L14-F17 PolarHBondContact O-N 3.08Å; K15-F17 PolarHBondContact O-N 3.45Å; F17-V19 HydrophobicContact CB-CG2 4.45Å; F17-V19 PolarHBondContact O-N 3.21Å; F17-V19 VanDerWaalsContact O-N 3.16Å; F17-M58 HydrophobicContact CB-SD 4.17Å; F17-A62 HydrophobicContact CD2-CB 4.21Å; F17-A62 HydrophobicContact CE1-CB 4.05Å; F17-A62 HydrophobicContact CE2-CB 3.28Å; F17-A62 HydrophobicContact CZ-CB 3.2Å
18S55.9Low65.9Low106 Ų10649.7 Ų49.774%0.74127%0.268SS*.THydrogen-bonded Turntrans57.828.2177.5-53.80000114.3L14 K15 D20L14-S18 PolarHBondContact O-N 3.02Å; K15-S18 PolarHBondContact O-N 3.16Å; S18-D20 PolarHBondContact O-N 3.04Å
19V57.3Low67.6Low4 Ų449.7 Ų49.72%0.02427%0.269CS..  trans-87107.2174.2172.80000108.9L14 F17 M58 F105 I107L14-V19 HydrophobicContact CB-CB 3.82Å; L14-V19 HydrophobicContact CB-CG1 4.03Å; L14-V19 HydrophobicContact CB-CG2 4.34Å; L14-V19 HydrophobicContact CD2-CG2 4.47Å; L14-V19 VanDerWaalsContact O-CB 3.27Å; L14-V19 WeakPolarHBondContact O-CB 3.45Å; L14-V19 PolarHBondContact O-N 3.22Å; F17-V19 HydrophobicContact CB-CG2 4.45Å; F17-V19 PolarHBondContact O-N 3.21Å; F17-V19 VanDerWaalsContact O-N 3.16Å; V19-M58 HydrophobicContact CG2-SD 3.74Å; V19-F105 HydrophobicContact CB-CZ 4.13Å; V19-F105 HydrophobicContact CG1-CE2 3.27Å; V19-F105 HydrophobicContact CG1-CZ 3.28Å; V19-F105 HydrophobicContact CG2-CZ 3.78Å; V19-I107 HydrophobicContact CG1-CD1 4.08Å
20D60.6Low69.2Low92 Ų9254.1 Ų54.149%0.49229%0.294SS..  trans-80.6139.4173.5-76.9-36.2000111.9S18 R22S18-D20 PolarHBondContact O-N 3.04Å; D20-R22 PolarHBondContact O-N 3.44Å
21N61.1Low70.7Confident73 Ų7356.8 Ų56.839%0.3930%0.304SS..  trans-79.4108.7176.7-173.15.6000110.7I107N21-I107 PolarHBondContact ND2-O 3.3Å; N21-I107 PolarHBondContact OD1-N 3.19Å; N21-I107 PolarHBondContact OD1-O 2.74Å
22R68Low72.1Confident36 Ų3655.9 Ų55.914%0.13630%0.3CS..  trans-98.6145.7175.4-66.7-179.3173.3-153.2-8.7112.9D20 A99 S101 S103 G106D20-R22 PolarHBondContact O-N 3.44Å; R22-A99 VanDerWaalsContact CZ-O 3.31Å; R22-A99 PolarHBondContact NH1-O 2.94Å; R22-A99 PolarHBondContact NH2-O 3.32Å; R22-S101 PolarHBondContact NH1-O 3.09Å; R22-S101 PolarHBondContact NH2-O 3.14Å; R22-S101 PolarHBondContact NH2-OG 3.06Å; R22-S103 PolarHBondContact NE-O 3.28Å; R22-S103 PolarHBondContact NH1-O 3.26Å; R22-G106 WeakPolarHBondContact O-CA 3.41Å
23E70.6Confident73.3Confident154 Ų15464.8 Ų64.872%0.7233%0.333SS*.  trans-86.8110.9165.5-175.8148.9-143.300109.2R108E23-R108 IonicContact OE1-CZ 2.72Å; E23-R108 IonicContact OE1-NH2 2.81Å; E23-R108 PolarHBondContact OE1-NH2 3.11Å
24C77.5Confident74.5Confident2 Ų266.8 Ų66.81%0.01435%0.347CS..  trans-98.7140.6177.2-42.60000109.3W28 C96 G106C24-W28 HydrophobicContact CB-CZ2 3.93Å; C24-W28 PolarHBondContact O-NE1 3.32Å; C24-C96 HydrophobicContact CB-CB 3.9Å; C24-C96 WeakPolarHBondContact CB-SG 3.03Å; C24-C96 WeakPolarHBondContact SG-CB 3.33Å; C24-C96 CovalentContact SG-SG 2.01Å; C24-C96 PolarHBondContact SG-SG 3.18Å; C24-G106 WeakPolarHBondContact SG-CA 3.48Å
25P79.7Confident75.6Confident93 Ų9366.9 Ų66.960%0.60435%0.348SS*.SBendtrans-68.5-41-175.726.3-33000111.8
26T84.1Confident76.5Confident82 Ų8261.1 Ų61.150%0.50332%0.324SS..SBendtrans-140.4-171.4-17558.30000111.1W28 S93 Q95T26-W28 VanDerWaalsContact C-N 3.3Å; T26-W28 PolarHBondContact O-N 2.9Å; T26-S93 WeakPolarHBondContact O-CB 3.5Å; T26-S93 PolarHBondContact O-OG 3.21Å; T26-Q95 PolarHBondContact OG1-OE1 2.93Å; T26-Q95 VanDerWaalsContact OG1-OE1 3.14Å
27G85.8Confident77Confident26 Ų2660.1 Ų60.127%0.26832%0.316SS..  trans74.814.6173.400000115.1S29 S93 Q95G27-S29 PolarHBondContact O-N 2.01Å; G27-S93 WeakPolarHBondContact O-CA 3.45Å; G27-S93 WeakPolarHBondContact O-CB 3.44Å; G27-S93 PolarHBondContact O-OG 3.14Å; G27-Q95 VanDerWaalsContact CA-OE1 3.31Å
28W89.6Confident77.8Confident50 Ų5060.5 Ų60.519%0.18932%0.319CS..PPolyproline II helixtrans-69128.5178.6-68.498.8000111C24 T26 R91 C92 R108C24-W28 HydrophobicContact CB-CZ2 3.93Å; C24-W28 PolarHBondContact O-NE1 3.32Å; T26-W28 VanDerWaalsContact C-N 3.3Å; T26-W28 PolarHBondContact O-N 2.9Å; W28-R91 HydrophobicContact CE3-CG 3.81Å; W28-R91 HydrophobicContact CZ3-CG 4.33Å; W28-C92 CarbonylContact C-O 3.46Å; W28-C92 WeakPolarHBondContact CA-O 3.5Å; W28-C92 VanDerWaalsContact CE3-C 3.46Å; W28-R108 HydrophobicContact CE3-CG 4.49Å; W28-R108 HydrophobicContact CH2-CB 4.44Å; W28-R108 HydrophobicContact CH2-CG 3.58Å; W28-R108 HydrophobicContact CZ2-CG 4.14Å; W28-R108 HydrophobicContact CZ3-CB 4.15Å; W28-R108 HydrophobicContact CZ3-CG 3.78Å
29S91Very high78.8Confident9 Ų956.1 Ų56.16%0.06329%0.287CS..PPolyproline II helixtrans-63.4166.8167.2750000111.3G27 P47 R91 C92G27-S29 PolarHBondContact O-N 2.01Å; S29-P47 WeakPolarHBondContact OG-CG 3.1Å; S29-R91 WeakPolarHBondContact O-CB 3.45Å; S29-R91 WeakPolarHBondContact OG-CB 3.36Å; S29-C92 PolarHBondContact N-O 3.33Å; S29-C92 PolarHBondContact OG-N 3.09Å; S29-C92 PolarHBondContact OG-O 2.8Å
30D92.7Very high79.5Confident139 Ų13966.4 Ų66.474%0.74333%0.326SS*.PPolyproline II helixtrans-58160.6159.8-67.8-44.4000111.4P47 R91D30-P47 VanDerWaalsContact O-CG 3.23Å; D30-P47 WeakPolarHBondContact O-CG 3.28Å; D30-R91 WeakPolarHBondContact O-CB 3.2Å
31W91.1Very high80.4Confident60 Ų6063.4 Ų63.423%0.22731%0.31CS..PPolyproline II helixtrans-69.4136.9172.2-68.9100.1000110.7Q89 R91 R108 R110W31-Q89 HydrophobicContact CB-CB 4.17Å; W31-Q89 HydrophobicContact CD2-CB 4.48Å; W31-Q89 HydrophobicContact CE3-CB 3.88Å; W31-Q89 WeakPolarHBondContact CZ3-O 3.44Å; W31-R91 HydrophobicContact CD2-CB 4.17Å; W31-R91 HydrophobicContact CD2-CG 4.01Å; W31-R91 HydrophobicContact CE3-CB 3.96Å; W31-R91 HydrophobicContact CE3-CG 3.81Å; W31-R91 HydrophobicContact CH2-CG 3.89Å; W31-R91 HydrophobicContact CZ2-CG 4.05Å; W31-R91 HydrophobicContact CZ3-CB 4.34Å; W31-R91 HydrophobicContact CZ3-CG 3.75Å; W31-R108 HydrophobicContact CH2-CB 3.78Å; W31-R108 HydrophobicContact CZ3-CB 4.24Å; W31-R108 WeakPolarHBondContact CZ3-O 3.49Å; W31-R110 HydrophobicContact CD2-CG 4.01Å; W31-R110 HydrophobicContact CE3-CG 3.74Å; W31-R110 HydrophobicContact CH2-CB 3.76Å; W31-R110 HydrophobicContact CH2-CG 3.66Å; W31-R110 HydrophobicContact CZ2-CB 4.27Å; W31-R110 HydrophobicContact CZ2-CG 3.96Å; W31-R110 HydrophobicContact CZ3-CB 3.99Å; W31-R110 HydrophobicContact CZ3-CG 3.56Å
32S88.5Confident81.2Confident6 Ų660.6 Ų60.64%0.04230%0.295CS..PPolyproline II helixtrans-58.4168.8172.374.20000111.6Q89 I90S32-Q89 WeakPolarHBondContact O-CG 3.21Å; S32-Q89 PolarHBondContact O-NE2 2.66Å; S32-Q89 WeakPolarHBondContact OG-CA 3.5Å; S32-I90 VanDerWaalsContact CB-O 3.29Å; S32-I90 WeakPolarHBondContact CB-O 3.21Å; S32-I90 PolarHBondContact N-O 2.04Å; S32-I90 PolarHBondContact OG-N 2.72Å; S32-I90 PolarHBondContact OG-O 3.21Å
33R87.8Confident81.8Confident205 Ų20559.4 Ų59.477%0.77429%0.291SS*.PPolyproline II helixtrans-60.1162.8159.7-64.2-175.6-177.5169.81110.3L35R33-L35 PolarHBondContact O-N 3.14Å
34C86.3Confident82.5Confident51 Ų5158.3 Ų58.335%0.34529%0.286SS..PPolyproline II helixtrans-60119.5172-76.40000110.7C112C34-C112 WeakPolarHBondContact CA-SG 3.49Å; C34-C112 HydrophobicContact CB-CB 4.25Å; C34-C112 WeakPolarHBondContact CB-SG 3.44Å; C34-C112 WeakPolarHBondContact SG-CB 3.41Å; C34-C112 CovalentContact SG-SG 2.02Å; C34-C112 PolarHBondContact SG-SG 3.33Å
35L83.4Confident82.9Confident4 Ų460 Ų602%0.02130%0.298CS..BIsolated β-bridgetrans-88.2134.2179.3-55.6171.9000107.6S7 I10 R33 T39 L46 K88 I90S7-L35 WeakPolarHBondContact CB-O 3.45Å; S7-L35 PolarHBondContact OG-O 2.72Å; I10-L35 HydrophobicContact CD1-CB 4.18Å; I10-L35 HydrophobicContact CD1-CD1 3.25Å; I10-L35 HydrophobicContact CD1-CG 4.22Å; R33-L35 PolarHBondContact O-N 3.14Å; L35-T39 HydrophobicContact CD2-CG2 4.12Å; L35-L46 HydrophobicContact CD1-CD2 3.98Å; L35-K88 WeakPolarHBondContact CB-O 3.42Å; L35-K88 PolarHBondContact N-O 2.68Å; L35-I90 HydrophobicContact CD1-CB 4.26Å; L35-I90 HydrophobicContact CD1-CD1 3.48Å; L35-I90 VanDerWaalsContact CD1-CD1 3.48Å; L35-I90 HydrophobicContact CD1-CG1 3.77Å
36S79.6Confident83.1Confident12 Ų1255.9 Ų55.98%0.08427%0.271CS..  trans-148.2173.9-177.374.30000110.4F6 E38 T39F6-S36 CarbonylContact O-C 3.57Å; F6-S36 WeakPolarHBondContact O-CA 3.35Å; S36-E38 PolarHBondContact O-N 2.79Å; S36-E38 PolarHBondContact OG-N 3.19Å; S36-T39 PolarHBondContact N-OG1 2.97Å; S36-T39 WeakPolarHBondContact O-CB 2.93Å; S36-T39 PolarHBondContact O-N 2.9Å; S36-T39 PolarHBondContact O-OG1 3.29Å
37T69.7Low83.3Confident0 Ų052.8 Ų52.80%025%0.252CS..THydrogen-bonded Turntrans-55.7-30.8171.1350000111.6I4 F6 T39 L70 R74I4-T37 PolarHBondContact O-OG1 2.83Å; F6-T37 HydrophobicContact CB-CG2 3.81Å; F6-T37 HydrophobicContact CD1-CG2 4.21Å; F6-T37 PolarHBondContact N-OG1 3.21Å; F6-T37 WeakPolarHBondContact O-CG2 3.3Å; F6-T37 PolarHBondContact O-N 3.01Å; F6-T37 PolarHBondContact O-OG1 3.38Å; F6-T37 VanDerWaalsContact O-OG1 3.05Å; T37-T39 PolarHBondContact O-N 3.13Å; T37-L70 HydrophobicContact CG2-CD2 4.4Å; T37-R74 HydrophobicContact CG2-CG 4.44Å; T37-R74 PolarHBondContact O-NE 3.13Å; T37-R74 PolarHBondContact O-NH2 3.34Å
38E73.6Confident83.4Confident67 Ų6754 Ų5431%0.31326%0.26SS..THydrogen-bonded Turntrans-73.9-10.8177.7-55.8-168.3160.500113.6Y3 I4 S36 R40Y3-E38 WeakPolarHBondContact CA-OE1 3.21Å; Y3-E38 VanDerWaalsContact CB-OE1 3.26Å; Y3-E38 WeakPolarHBondContact CB-OE1 3.41Å; Y3-E38 WeakPolarHBondContact CD1-OE1 3.35Å; I4-E38 PolarHBondContact N-OE1 3.04Å; I4-E38 WeakPolarHBondContact O-CG 3.06Å; S36-E38 PolarHBondContact O-N 2.79Å; S36-E38 PolarHBondContact OG-N 3.19Å; E38-R40 VanDerWaalsContact C-N 3.31Å; E38-R40 PolarHBondContact O-N 3.43Å
39T76.4Confident83.2Confident14 Ų1456.1 Ų56.19%0.08627%0.272CS..  trans-67.890.4176.7-54.50000109.5L35 S36 T37 N41 I42 S45L35-T39 HydrophobicContact CD2-CG2 4.12Å; S36-T39 PolarHBondContact N-OG1 2.97Å; S36-T39 WeakPolarHBondContact O-CB 2.93Å; S36-T39 PolarHBondContact O-N 2.9Å; S36-T39 PolarHBondContact O-OG1 3.29Å; T37-T39 PolarHBondContact O-N 3.13Å; T39-N41 PolarHBondContact O-N 2.97Å; T39-I42 HydrophobicContact CG2-CG1 4.1Å; T39-S45 WeakPolarHBondContact CG2-OG 3.49Å
40R72.2Confident82.7Confident220 Ų22055.7 Ų55.783%0.8327%0.269SS*.THydrogen-bonded Turntrans-59.6-33.7-178.1-65.9-174.8-178.8-175.70.2112.3E38E38-R40 VanDerWaalsContact C-N 3.31Å; E38-R40 PolarHBondContact O-N 3.43Å
41N79.5Confident82.4Confident28 Ų2854 Ų5415%0.1525%0.252CS..THydrogen-bonded Turntrans-132.784.7-179.7-167-20.1000110.5T39 V43 Q44 S45 R63T39-N41 PolarHBondContact O-N 2.97Å; N41-V43 PolarHBondContact O-N 3.28Å; N41-V43 PolarHBondContact OD1-N 3.13Å; N41-Q44 HydrophobicContact CB-CB 4.07Å; N41-Q44 HydrophobicContact CB-CG 4.4Å; N41-Q44 VanDerWaalsContact ND2-CG 3.35Å; N41-Q44 WeakPolarHBondContact ND2-CG 3.27Å; N41-Q44 PolarHBondContact ND2-NE2 3.39Å; N41-Q44 PolarHBondContact ND2-OE1 3.22Å; N41-Q44 PolarHBondContact O-N 3.08Å; N41-Q44 PolarHBondContact OD1-N 3.5Å; N41-S45 PolarHBondContact O-N 3.11Å; N41-S45 VanDerWaalsContact O-N 3.14Å; N41-S45 PolarHBondContact O-OG 3.48Å; N41-R63 PolarHBondContact ND2-NH2 3.43Å; N41-R63 PolarHBondContact OD1-NH2 3.44Å
42I78.4Confident81.9Confident15 Ų1555.1 Ų55.18%0.07727%0.274CS..Hα-helixtrans-49.4-45.7178.9-64.6-173.5000110.7I10 T39 Q44 S45 L46 V66 L70I10-I42 HydrophobicContact CD1-CD1 4.38Å; I10-I42 HydrophobicContact CD1-CG2 3.56Å; I10-I42 HydrophobicContact CG1-CG2 4.29Å; T39-I42 HydrophobicContact CG2-CG1 4.1Å; I42-Q44 PolarHBondContact O-N 3.4Å; I42-S45 PolarHBondContact O-N 3.33Å; I42-S45 VanDerWaalsContact O-N 3.09Å; I42-L46 WeakPolarHBondContact O-CG 3.1Å; I42-L46 PolarHBondContact O-N 2.86Å; I42-V66 HydrophobicContact CD1-CG1 3.72Å; I42-L70 HydrophobicContact CD1-CD1 3.96Å; I42-L70 HydrophobicContact CD1-CD2 4.41Å; I42-L70 HydrophobicContact CG1-CD1 4.2Å
43V80.9Confident81.3Confident11 Ų1155.6 Ų55.67%0.06728%0.277CS..Hα-helixtrans-56.7-49.6-179.1-178.60000111.1N41 S45 L46 R51 L59 R60N41-V43 PolarHBondContact O-N 3.28Å; N41-V43 PolarHBondContact OD1-N 3.13Å; V43-S45 PolarHBondContact O-N 3.4Å; V43-L46 WeakPolarHBondContact O-CB 2.99Å; V43-L46 PolarHBondContact O-N 3.22Å; V43-R51 HydrophobicContact CG1-CG 4.19Å; V43-R51 WeakPolarHBondContact O-CD 3Å; V43-R51 WeakPolarHBondContact O-CG 3.39Å; V43-L59 HydrophobicContact CG2-CB 3.75Å; V43-R60 HydrophobicContact CB-CG 4.41Å; V43-R60 HydrophobicContact CG1-CG 3.83Å; V43-R60 HydrophobicContact CG2-CG 3.97Å
44Q85.1Confident80.5Confident130 Ų13048.7 Ų48.761%0.60726%0.257SS*.Hα-helixtrans-67-25-179.8-79.9176.5-17.400113.4N41 I42 L46N41-Q44 HydrophobicContact CB-CB 4.07Å; N41-Q44 HydrophobicContact CB-CG 4.4Å; N41-Q44 VanDerWaalsContact ND2-CG 3.35Å; N41-Q44 WeakPolarHBondContact ND2-CG 3.27Å; N41-Q44 PolarHBondContact ND2-NE2 3.39Å; N41-Q44 PolarHBondContact ND2-OE1 3.22Å; N41-Q44 PolarHBondContact O-N 3.08Å; N41-Q44 PolarHBondContact OD1-N 3.5Å; I42-Q44 PolarHBondContact O-N 3.4Å; Q44-L46 VanDerWaalsContact C-N 3.28Å
45S85Confident79.9Confident37 Ų3746.3 Ų46.326%0.25924%0.241SC..Hα-helixtrans-79.8-10.1177.1-57.60000113.7T39 N41 I42 V43T39-S45 WeakPolarHBondContact CG2-OG 3.49Å; N41-S45 PolarHBondContact O-N 3.11Å; N41-S45 VanDerWaalsContact O-N 3.14Å; N41-S45 PolarHBondContact O-OG 3.48Å; I42-S45 PolarHBondContact O-N 3.33Å; I42-S45 VanDerWaalsContact O-N 3.09Å; V43-S45 PolarHBondContact O-N 3.4Å
46L85.1Confident79.7Confident7 Ų746.1 Ų46.14%0.03724%0.24CC..SBendtrans-79.6150.6173.6-63.4176.8000111.7L35 I42 V43 Q44 C50 R51 L59 I90L35-L46 HydrophobicContact CD1-CD2 3.98Å; I42-L46 WeakPolarHBondContact O-CG 3.1Å; I42-L46 PolarHBondContact O-N 2.86Å; V43-L46 WeakPolarHBondContact O-CB 2.99Å; V43-L46 PolarHBondContact O-N 3.22Å; Q44-L46 VanDerWaalsContact C-N 3.28Å; L46-C50 HydrophobicContact CB-CB 3.98Å; L46-C50 HydrophobicContact CD1-CB 4.45Å; L46-R51 HydrophobicContact CB-CG 4.17Å; L46-R51 PolarHBondContact O-NE 3.26Å; L46-L59 HydrophobicContact CD1-CD1 3.4Å; L46-L59 VanDerWaalsContact CD1-CD1 3.4Å; L46-I90 HydrophobicContact CD2-CB 4.19Å; L46-I90 HydrophobicContact CD2-CD1 4.27Å; L46-I90 HydrophobicContact CD2-CG2 4.33Å
47P87.4Confident79.6Confident18 Ų1848.6 Ų48.612%0.11725%0.252CS..  trans-50.7148.7171.2-2633.4000111.9S29 D30 Q49 C50 R51S29-P47 WeakPolarHBondContact OG-CG 3.1Å; D30-P47 VanDerWaalsContact O-CG 3.23Å; D30-P47 WeakPolarHBondContact O-CG 3.28Å; P47-Q49 PolarHBondContact O-N 3.43Å; P47-C50 WeakPolarHBondContact O-CA 3.46Å; P47-C50 WeakPolarHBondContact O-CB 3.4Å; P47-C50 PolarHBondContact O-N 2.97Å; P47-R51 PolarHBondContact O-N 2.91Å; P47-R51 VanDerWaalsContact O-N 3.1Å
48A87.7Confident79.8Confident52 Ų5251.5 Ų51.543%0.4327%0.266SS..Hα-helixtrans-55.3-40.5-17800000112.1C50 R51 A52A48-C50 VanDerWaalsContact C-N 3.28Å; A48-C50 PolarHBondContact O-N 3.27Å; A48-R51 PolarHBondContact O-N 3.41Å; A48-R51 VanDerWaalsContact O-N 3.11Å; A48-A52 PolarHBondContact O-N 3.34Å; A48-A52 VanDerWaalsContact O-N 3.08Å
49Q85.2Confident79.9Confident94 Ų9448.6 Ų48.644%0.43925%0.253SS..Hα-helixtrans-56.4-42.1174.9-61.779.46.300111.2P47 R51 A52 T53P47-Q49 PolarHBondContact O-N 3.43Å; Q49-R51 PolarHBondContact O-N 3.27Å; Q49-A52 PolarHBondContact O-N 2.92Å; Q49-T53 WeakPolarHBondContact O-CG2 3.34Å; Q49-T53 PolarHBondContact O-N 3.23Å
50C81.9Confident80.2Confident0 Ų054.1 Ų54.10%027%0.272CS..Hα-helixtrans-72.9-29.2179.8-51.80000112.9L46 P47 A48 T53 L55 G56 C92L46-C50 HydrophobicContact CB-CB 3.98Å; L46-C50 HydrophobicContact CD1-CB 4.45Å; P47-C50 WeakPolarHBondContact O-CA 3.46Å; P47-C50 WeakPolarHBondContact O-CB 3.4Å; P47-C50 PolarHBondContact O-N 2.97Å; A48-C50 VanDerWaalsContact C-N 3.28Å; A48-C50 PolarHBondContact O-N 3.27Å; C50-T53 PolarHBondContact O-OG1 3.47Å; C50-L55 HydrophobicContact CB-CD2 4.06Å; C50-G56 PolarHBondContact O-N 3.15Å; C50-C92 WeakPolarHBondContact CA-SG 3.37Å; C50-C92 HydrophobicContact CB-CB 3.98Å; C50-C92 WeakPolarHBondContact CB-SG 3.11Å; C50-C92 PolarHBondContact N-SG 3.34Å; C50-C92 WeakPolarHBondContact SG-CB 3.49Å; C50-C92 PolarHBondContact SG-N 3.04Å; C50-C92 CovalentContact SG-SG 2.02Å; C50-C92 PolarHBondContact SG-SG 3.3Å
51R85.1Confident80.5Confident104 Ų10453.4 Ų53.439%0.39227%0.269SS..Hα-helixtrans-73.9-30.5177.3-66.7-175.2-71.1154.5-2.1112.2V43 L46 P47 A48 Q49V43-R51 HydrophobicContact CG1-CG 4.19Å; V43-R51 WeakPolarHBondContact O-CD 3Å; V43-R51 WeakPolarHBondContact O-CG 3.39Å; L46-R51 HydrophobicContact CB-CG 4.17Å; L46-R51 PolarHBondContact O-NE 3.26Å; P47-R51 PolarHBondContact O-N 2.91Å; P47-R51 VanDerWaalsContact O-N 3.1Å; A48-R51 PolarHBondContact O-N 3.41Å; A48-R51 VanDerWaalsContact O-N 3.11Å; Q49-R51 PolarHBondContact O-N 3.27Å
52A81.4Confident80.3Confident82 Ų8252.3 Ų52.368%0.67826%0.264SS*.Hα-helixtrans-78.2-23.3-178.800000113.4A48 Q49A48-A52 PolarHBondContact O-N 3.34Å; A48-A52 VanDerWaalsContact O-N 3.08Å; Q49-A52 PolarHBondContact O-N 2.92Å
53T75.5Confident80.4Confident17 Ų1755.9 Ų55.910%0.10428%0.276CS..SBendtrans-79.5170.6179.454.50000113.1Q49 C50 L55 G56 I57 D94 F105Q49-T53 WeakPolarHBondContact O-CG2 3.34Å; Q49-T53 PolarHBondContact O-N 3.23Å; C50-T53 PolarHBondContact O-OG1 3.47Å; T53-L55 PolarHBondContact O-N 3.5Å; T53-L55 VanDerWaalsContact O-N 3.08Å; T53-L55 WeakPolarHBondContact OG1-CB 3.4Å; T53-G56 PolarHBondContact O-N 2.83Å; T53-I57 PolarHBondContact O-N 3.22Å; T53-D94 HydrophobicContact CG2-CB 3.77Å; T53-F105 HydrophobicContact CG2-CB 4.29Å
54T71.8Confident80.3Confident60 Ų6058.4 Ų58.437%0.36830%0.299SS..Hα-helixtrans-50.1-33172-50.70000112.1G56 I57 M58T54-G56 PolarHBondContact O-N 3.1Å; T54-I57 PolarHBondContact O-N 2.02Å; T54-M58 HydrophobicContact CG2-CE 3.79Å; T54-M58 HydrophobicContact CG2-CG 4.25Å; T54-M58 HydrophobicContact CG2-SD 4.15Å; T54-M58 WeakPolarHBondContact O-CB 3.34Å; T54-M58 WeakPolarHBondContact O-CG 3.32Å; T54-M58 PolarHBondContact O-N 3.47Å
55L72.9Confident79.9Confident1 Ų153.4 Ų53.41%0.00528%0.277CS..Hα-helixtrans-50.9-54.3170.3175.661000112.9L14 C50 T53 I57 M58 L59 F105 I107L14-L55 HydrophobicContact CD1-CD1 3.43Å; L14-L55 VanDerWaalsContact CD1-CD1 3.43Å; L14-L55 HydrophobicContact CD2-CD1 3.08Å; L14-L55 HydrophobicContact CG-CD1 3.86Å; C50-L55 HydrophobicContact CB-CD2 4.06Å; T53-L55 PolarHBondContact O-N 3.5Å; T53-L55 VanDerWaalsContact O-N 3.08Å; T53-L55 WeakPolarHBondContact OG1-CB 3.4Å; L55-I57 VanDerWaalsContact C-N 3.27Å; L55-I57 PolarHBondContact O-N 2.92Å; L55-M58 PolarHBondContact O-N 3.23Å; L55-L59 HydrophobicContact CD1-CD1 3.84Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 4.1Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 WeakPolarHBondContact O-CG 3.32Å; L55-L59 PolarHBondContact O-N 2.94Å; L55-F105 HydrophobicContact CB-CD2 4.23Å; L55-F105 HydrophobicContact CB-CE1 4.09Å; L55-F105 HydrophobicContact CB-CE2 3.8Å; L55-F105 HydrophobicContact CB-CZ 3.69Å; L55-F105 HydrophobicContact CD1-CE2 4.19Å; L55-F105 HydrophobicContact CD1-CZ 4.31Å; L55-F105 HydrophobicContact CD2-CD2 4.5Å; L55-F105 HydrophobicContact CD2-CE2 4.31Å; L55-F105 HydrophobicContact CG-CE2 4.33Å; L55-I107 HydrophobicContact CD1-CD1 3.72Å; L55-I107 HydrophobicContact CD2-CD1 3.56Å; L55-I107 HydrophobicContact CD2-CG1 4.19Å; L55-I107 HydrophobicContact CG-CD1 4.23Å
56G79.3Confident79.5Confident0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-65.6-31.6-179.300000112.5C50 T53 T54 R60C50-G56 PolarHBondContact O-N 3.15Å; T53-G56 PolarHBondContact O-N 2.83Å; T54-G56 PolarHBondContact O-N 3.1Å; G56-R60 WeakPolarHBondContact O-CB 3.06Å; G56-R60 VanDerWaalsContact O-CG 3.23Å; G56-R60 WeakPolarHBondContact O-CG 3.32Å; G56-R60 PolarHBondContact O-N 2.8Å; G56-R60 VanDerWaalsContact O-N 3.13Å; G56-R60 PolarHBondContact O-NE 3.48Å; G56-R60 VanDerWaalsContact O-NE 3.13Å
57I77.9Confident79.2Confident63 Ų6354.7 Ų54.732%0.32328%0.281SS..Hα-helixtrans-68.5-49.1172.7-61170.3000110.3T53 T54 L55 L59 R60 R61T53-I57 PolarHBondContact O-N 3.22Å; T54-I57 PolarHBondContact O-N 2.02Å; L55-I57 VanDerWaalsContact C-N 3.27Å; L55-I57 PolarHBondContact O-N 2.92Å; I57-L59 PolarHBondContact O-N 3.2Å; I57-R60 WeakPolarHBondContact O-CB 3.33Å; I57-R60 PolarHBondContact O-N 3.07Å; I57-R61 WeakPolarHBondContact O-CG 3.47Å; I57-R61 PolarHBondContact O-N 2.8Å
58M73.1Confident78.8Confident61 Ų6155.5 Ų55.530%0.329%0.286SS..Hα-helixtrans-60.7-46.5179.1-75178.3170.500111.4F17 V19 T54 L55 R60 R61 A62F17-M58 HydrophobicContact CB-SD 4.17Å; V19-M58 HydrophobicContact CG2-SD 3.74Å; T54-M58 HydrophobicContact CG2-CE 3.79Å; T54-M58 HydrophobicContact CG2-CG 4.25Å; T54-M58 HydrophobicContact CG2-SD 4.15Å; T54-M58 WeakPolarHBondContact O-CB 3.34Å; T54-M58 WeakPolarHBondContact O-CG 3.32Å; T54-M58 PolarHBondContact O-N 3.47Å; L55-M58 PolarHBondContact O-N 3.23Å; M58-R60 VanDerWaalsContact C-N 3.31Å; M58-R60 PolarHBondContact O-N 2.91Å; M58-R61 PolarHBondContact O-N 3.18Å; M58-A62 WeakPolarHBondContact O-CB 3.23Å; M58-A62 PolarHBondContact O-N 3.37Å
59L77Confident78.4Confident7 Ų753.3 Ų53.34%0.03727%0.267CS..Hα-helixtrans-65.5-32.1177.3-72.5174.4000113I13 L14 V43 L46 L55 I57 R63I13-L59 HydrophobicContact CG2-CD2 3.78Å; L14-L59 HydrophobicContact CD2-CD1 4.2Å; L14-L59 HydrophobicContact CD2-CD2 3.71Å; L14-L59 HydrophobicContact CD2-CG 3.89Å; V43-L59 HydrophobicContact CG2-CB 3.75Å; L46-L59 HydrophobicContact CD1-CD1 3.4Å; L46-L59 VanDerWaalsContact CD1-CD1 3.4Å; L55-L59 HydrophobicContact CD1-CD1 3.84Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 4.1Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 WeakPolarHBondContact O-CG 3.32Å; L55-L59 PolarHBondContact O-N 2.94Å; I57-L59 PolarHBondContact O-N 3.2Å; L59-R63 PolarHBondContact O-N 3Å; L59-R63 VanDerWaalsContact O-N 3.09Å
60R82.6Confident78.1Confident130 Ų13048.9 Ų48.949%0.49125%0.247SC..Hα-helixtrans-64.1-46.7171.6-81.7-178-76.1164.3-9.9111.4V43 G56 I57 M58 R63V43-R60 HydrophobicContact CB-CG 4.41Å; V43-R60 HydrophobicContact CG1-CG 3.83Å; V43-R60 HydrophobicContact CG2-CG 3.97Å; G56-R60 WeakPolarHBondContact O-CB 3.06Å; G56-R60 VanDerWaalsContact O-CG 3.23Å; G56-R60 WeakPolarHBondContact O-CG 3.32Å; G56-R60 PolarHBondContact O-N 2.8Å; G56-R60 VanDerWaalsContact O-N 3.13Å; G56-R60 PolarHBondContact O-NE 3.48Å; G56-R60 VanDerWaalsContact O-NE 3.13Å; I57-R60 WeakPolarHBondContact O-CB 3.33Å; I57-R60 PolarHBondContact O-N 3.07Å; M58-R60 VanDerWaalsContact C-N 3.31Å; M58-R60 PolarHBondContact O-N 2.91Å; R60-R63 VanDerWaalsContact O-CB 3.23Å; R60-R63 WeakPolarHBondContact O-CB 3.49Å; R60-R63 PolarHBondContact O-N 2.61Å
61R78.2Confident78.1Confident205 Ų20554.7 Ų54.777%0.77427%0.272SS*.Hα-helixtrans-64.5-40.6176.6-68.6178.3178.7177.1-0.5111.6I57 M58 R63I57-R61 WeakPolarHBondContact O-CG 3.47Å; I57-R61 PolarHBondContact O-N 2.8Å; M58-R61 PolarHBondContact O-N 3.18Å; R61-R63 PolarHBondContact O-N 3.4Å
62A74.8Confident78Confident4 Ų450.4 Ų50.43%0.03326%0.256CS..THydrogen-bonded Turntrans-72.5-10178.900000114.2F17 M58 A64 V65 V66F17-A62 HydrophobicContact CD2-CB 4.21Å; F17-A62 HydrophobicContact CE1-CB 4.05Å; F17-A62 HydrophobicContact CE2-CB 3.28Å; F17-A62 HydrophobicContact CZ-CB 3.2Å; M58-A62 WeakPolarHBondContact O-CB 3.23Å; M58-A62 PolarHBondContact O-N 3.37Å; A62-A64 PolarHBondContact O-N 3.49Å; A62-A64 VanDerWaalsContact O-N 3.16Å; A62-V65 WeakPolarHBondContact O-CA 3.46Å; A62-V65 WeakPolarHBondContact O-CB 3.09Å; A62-V65 PolarHBondContact O-N 3.19Å; A62-V66 HydrophobicContact CB-CG2 4.21Å; A62-V66 WeakPolarHBondContact O-CG2 3.33Å; A62-V66 PolarHBondContact O-N 3.41Å
63R79.6Confident78Confident90 Ų9046.7 Ų46.734%0.3422%0.224SC..Hα-helixtrans-54.3-39.1-175.1-177.8-176.1-74.9164.2-1.6112.4N41 L59 R60 R61 V65 V66 N67N41-R63 PolarHBondContact ND2-NH2 3.43Å; N41-R63 PolarHBondContact OD1-NH2 3.44Å; L59-R63 PolarHBondContact O-N 3Å; L59-R63 VanDerWaalsContact O-N 3.09Å; R60-R63 VanDerWaalsContact O-CB 3.23Å; R60-R63 WeakPolarHBondContact O-CB 3.49Å; R60-R63 PolarHBondContact O-N 2.61Å; R61-R63 PolarHBondContact O-N 3.4Å; R63-V65 PolarHBondContact O-N 2.79Å; R63-V66 PolarHBondContact O-N 3.4Å; R63-N67 WeakPolarHBondContact CG-ND2 3.47Å; R63-N67 VanDerWaalsContact O-CB 3.32Å; R63-N67 WeakPolarHBondContact O-CB 3.34Å; R63-N67 VanDerWaalsContact O-CG 3.29Å; R63-N67 PolarHBondContact O-N 2.86Å
64A79.1Confident78.1Confident65 Ų6549.6 Ų49.654%0.53723%0.233SC..Hα-helixtrans-62-27.6178.600000113.2A62 P68A62-A64 PolarHBondContact O-N 3.49Å; A62-A64 VanDerWaalsContact O-N 3.16Å; A64-P68 WeakPolarHBondContact O-CD 3.4Å; A64-P68 WeakPolarHBondContact O-CG 3.49Å
65V76.4Confident78.6Confident25 Ų2551.5 Ų51.515%0.15224%0.238CC..Hα-helixtrans-90.2-39.7177.3174.20000111.2A62 R63 P68 I69 L146 L158A62-V65 WeakPolarHBondContact O-CA 3.46Å; A62-V65 WeakPolarHBondContact O-CB 3.09Å; A62-V65 PolarHBondContact O-N 3.19Å; R63-V65 PolarHBondContact O-N 2.79Å; V65-P68 WeakPolarHBondContact O-CD 3.29Å; V65-I69 HydrophobicContact CG1-CD1 4.26Å; V65-I69 WeakPolarHBondContact O-CD1 3.41Å; V65-I69 WeakPolarHBondContact O-CG1 3.16Å; V65-L146 HydrophobicContact CG1-CD2 4.02Å; V65-L158 HydrophobicContact CG1-CD1 3.5Å; V65-L158 VanDerWaalsContact CG1-CD1 3.5Å
66V76.7Confident79.2Confident8 Ų851.5 Ų51.55%0.04824%0.238CC..Hα-helixtrans-71.8-36.8-176.9175.50000112.3I8 I13 I42 A62 R63 I69 L70I8-V66 HydrophobicContact CD1-CG1 4.3Å; I13-V66 HydrophobicContact CD1-CB 4.46Å; I13-V66 HydrophobicContact CD1-CG1 3.76Å; I13-V66 HydrophobicContact CD1-CG2 3.8Å; I13-V66 HydrophobicContact CG1-CG2 4.39Å; I13-V66 HydrophobicContact CG2-CG2 3.87Å; I42-V66 HydrophobicContact CD1-CG1 3.72Å; A62-V66 HydrophobicContact CB-CG2 4.21Å; A62-V66 WeakPolarHBondContact O-CG2 3.33Å; A62-V66 PolarHBondContact O-N 3.41Å; R63-V66 PolarHBondContact O-N 3.4Å; V66-I69 WeakPolarHBondContact O-CB 3.24Å; V66-I69 PolarHBondContact O-N 2.64Å; V66-L70 HydrophobicContact CG1-CD1 3.97Å; V66-L70 HydrophobicContact CG1-CG 4.18Å; V66-L70 WeakPolarHBondContact O-CG 3.19Å; V66-L70 PolarHBondContact O-N 2.73Å
67N79.4Confident79.2Confident63 Ų6351.8 Ų51.834%0.33724%0.24SC..Hα-helixtrans-62.5-46.1-177.3-79.5-2.9000113.5R63 I69 L70 K71R63-N67 WeakPolarHBondContact CG-ND2 3.47Å; R63-N67 VanDerWaalsContact O-CB 3.32Å; R63-N67 WeakPolarHBondContact O-CB 3.34Å; R63-N67 VanDerWaalsContact O-CG 3.29Å; R63-N67 PolarHBondContact O-N 2.86Å; N67-I69 VanDerWaalsContact C-N 3.33Å; N67-I69 PolarHBondContact O-N 3.13Å; N67-L70 WeakPolarHBondContact O-CB 3.44Å; N67-L70 PolarHBondContact O-N 3.28Å; N67-K71 WeakPolarHBondContact O-CB 3.44Å; N67-K71 PolarHBondContact O-N 2.96Å
68P79.9Confident79.5Confident35 Ų3552.8 Ų52.823%0.22725%0.245CC..Hα-helixtrans-61.9-37.3173.9-2534000113.6A64 V65 K71 Y72 Y145A64-P68 WeakPolarHBondContact O-CD 3.4Å; A64-P68 WeakPolarHBondContact O-CG 3.49Å; V65-P68 WeakPolarHBondContact O-CD 3.29Å; P68-K71 WeakPolarHBondContact O-CB 3.04Å; P68-K71 PolarHBondContact O-N 3.23Å; P68-Y72 PolarHBondContact O-N 3.31Å; P68-Y145 WeakPolarHBondContact CB-O 3.49Å
69I79.4Confident79.9Confident6 Ų650.7 Ų50.73%0.03124%0.236CC..Hα-helixtrans-62.2-46.4174.8-61.6173.5000110.7I8 V65 V66 N67 K71 Y72 Y73 W139 Y145 L158I8-I69 HydrophobicContact CD1-CG2 4.05Å; V65-I69 HydrophobicContact CG1-CD1 4.26Å; V65-I69 WeakPolarHBondContact O-CD1 3.41Å; V65-I69 WeakPolarHBondContact O-CG1 3.16Å; V66-I69 WeakPolarHBondContact O-CB 3.24Å; V66-I69 PolarHBondContact O-N 2.64Å; N67-I69 VanDerWaalsContact C-N 3.33Å; N67-I69 PolarHBondContact O-N 3.13Å; I69-K71 VanDerWaalsContact C-N 3.29Å; I69-K71 PolarHBondContact O-N 3.31Å; I69-Y72 PolarHBondContact O-N 2.85Å; I69-Y73 HydrophobicContact CG2-CD2 3.79Å; I69-Y73 HydrophobicContact CG2-CE2 3.59Å; I69-Y73 VanDerWaalsContact O-CD2 3.25Å; I69-Y73 WeakPolarHBondContact O-CD2 3.44Å; I69-Y73 PolarHBondContact O-N 2.81Å; I69-Y73 VanDerWaalsContact O-N 3.07Å; I69-W139 HydrophobicContact CD1-CH2 4.3Å; I69-W139 HydrophobicContact CG1-CH2 4.02Å; I69-W139 HydrophobicContact CG2-CH2 3.99Å; I69-W139 HydrophobicContact CG2-CZ3 4.05Å; I69-Y145 HydrophobicContact CD1-CE2 4.36Å; I69-Y145 HydrophobicContact CG1-CD2 4.05Å; I69-Y145 HydrophobicContact CG1-CE2 3.74Å; I69-L158 HydrophobicContact CD1-CD1 4.2Å; I69-L158 HydrophobicContact CD1-CD2 4.06Å
70L78.3Confident79.9Confident1 Ų154.5 Ų54.51%0.00526%0.256CS..Hα-helixtrans-59.6-42174.2-72.9168.9000111.5I8 T37 I42 V66 N67 Y73 R74I8-L70 HydrophobicContact CD1-CD2 3.19Å; I8-L70 HydrophobicContact CD1-CG 3.5Å; I8-L70 VanDerWaalsContact CD1-CG 3.5Å; I8-L70 HydrophobicContact CG1-CD2 3.7Å; T37-L70 HydrophobicContact CG2-CD2 4.4Å; I42-L70 HydrophobicContact CD1-CD1 3.96Å; I42-L70 HydrophobicContact CD1-CD2 4.41Å; I42-L70 HydrophobicContact CG1-CD1 4.2Å; V66-L70 HydrophobicContact CG1-CD1 3.97Å; V66-L70 HydrophobicContact CG1-CG 4.18Å; V66-L70 WeakPolarHBondContact O-CG 3.19Å; V66-L70 PolarHBondContact O-N 2.73Å; N67-L70 WeakPolarHBondContact O-CB 3.44Å; N67-L70 PolarHBondContact O-N 3.28Å; L70-Y73 PolarHBondContact O-N 2.91Å; L70-R74 WeakPolarHBondContact O-CG 3.45Å; L70-R74 PolarHBondContact O-N 3.16Å
71K80.9Confident80Confident122 Ų12253.9 Ų53.953%0.5325%0.254SS..Hα-helixtrans-61.4-46.8178.2-175.1-176.7176.1-174.50110.9N67 P68 I69 Y73 R74 Q75N67-K71 WeakPolarHBondContact O-CB 3.44Å; N67-K71 PolarHBondContact O-N 2.96Å; P68-K71 WeakPolarHBondContact O-CB 3.04Å; P68-K71 PolarHBondContact O-N 3.23Å; I69-K71 VanDerWaalsContact C-N 3.29Å; I69-K71 PolarHBondContact O-N 3.31Å; K71-Y73 PolarHBondContact O-N 3.35Å; K71-R74 WeakPolarHBondContact O-CB 3.33Å; K71-R74 PolarHBondContact O-N 3.09Å; K71-Q75 WeakPolarHBondContact O-CG 3.46Å; K71-Q75 PolarHBondContact O-N 3.2Å; K71-Q75 VanDerWaalsContact O-N 3.15Å
72Y83.7Confident80.3Confident13 Ų1345.4 Ų45.45%0.05123%0.225CC..Hα-helixtrans-55.1-51.5175.1168.4-101000111.6P68 I69 R74 Q75 A76 Y127 A138 W139 P141P68-Y72 PolarHBondContact O-N 3.31Å; I69-Y72 PolarHBondContact O-N 2.85Å; Y72-R74 VanDerWaalsContact C-N 3.28Å; Y72-R74 PolarHBondContact O-N 2.91Å; Y72-Q75 PolarHBondContact O-N 3.18Å; Y72-A76 HydrophobicContact CE1-CB 4.42Å; Y72-A76 HydrophobicContact CE2-CB 4.29Å; Y72-A76 WeakPolarHBondContact O-CB 3.48Å; Y72-A76 PolarHBondContact O-N 3.39Å; Y72-Y127 HydrophobicContact CD2-CD1 4.47Å; Y72-Y127 AromaticContact CE2-CD1 3.86Å; Y72-Y127 HydrophobicContact CE2-CD1 3.86Å; Y72-A138 VanDerWaalsContact CE1-O 3.29Å; Y72-A138 WeakPolarHBondContact CE1-O 3.29Å; Y72-A138 PolarHBondContact OH-O 3.22Å; Y72-W139 HydrophobicContact CD1-CE3 4.13Å; Y72-W139 AromaticContact CD1-CZ3 3.99Å; Y72-W139 HydrophobicContact CD1-CZ3 3.99Å; Y72-W139 AromaticContact CE1-CE3 3.94Å; Y72-W139 HydrophobicContact CE1-CE3 3.94Å; Y72-W139 HydrophobicContact CE1-CZ3 4.26Å; Y72-P141 HydrophobicContact CD1-CG 3.82Å; Y72-P141 HydrophobicContact CD2-CB 3.75Å; Y72-P141 HydrophobicContact CD2-CG 3.66Å; Y72-P141 HydrophobicContact CE1-CG 3.8Å; Y72-P141 HydrophobicContact CE2-CB 3.49Å; Y72-P141 VanDerWaalsContact CE2-CB 3.49Å; Y72-P141 HydrophobicContact CE2-CG 3.62Å; Y72-P141 HydrophobicContact CG-CB 4.35Å; Y72-P141 HydrophobicContact CG-CG 3.74Å
73Y80.6Confident80.9Confident4 Ų445.2 Ų45.22%0.01622%0.223CC..Hα-helixtrans-64.4-30.4-179.2-78-59.7000114F6 I69 L70 K71 Q75 N77 W139 L163 L164F6-Y73 AromaticContact CD1-CD1 3.57Å; F6-Y73 HydrophobicContact CD1-CD1 3.57Å; F6-Y73 HydrophobicContact CD1-CD2 4.11Å; F6-Y73 HydrophobicContact CD1-CE1 4.11Å; F6-Y73 AromaticContact CD1-CG 3.59Å; F6-Y73 HydrophobicContact CD1-CG 3.59Å; F6-Y73 AromaticContact CE1-CD1 3.54Å; F6-Y73 HydrophobicContact CE1-CD1 3.54Å; F6-Y73 HydrophobicContact CE1-CD2 4.05Å; F6-Y73 AromaticContact CE1-CE1 3.58Å; F6-Y73 HydrophobicContact CE1-CE1 3.58Å; F6-Y73 HydrophobicContact CE1-CE2 4.04Å; F6-Y73 AromaticContact CE1-CG 3.81Å; F6-Y73 HydrophobicContact CE1-CG 3.81Å; F6-Y73 AromaticContact CE1-CZ 3.82Å; F6-Y73 HydrophobicContact CG-CD1 4.44Å; F6-Y73 HydrophobicContact CZ-CD1 4.4Å; F6-Y73 HydrophobicContact CZ-CE1 4.19Å; I69-Y73 HydrophobicContact CG2-CD2 3.79Å; I69-Y73 HydrophobicContact CG2-CE2 3.59Å; I69-Y73 VanDerWaalsContact O-CD2 3.25Å; I69-Y73 WeakPolarHBondContact O-CD2 3.44Å; I69-Y73 PolarHBondContact O-N 2.81Å; I69-Y73 VanDerWaalsContact O-N 3.07Å; L70-Y73 PolarHBondContact O-N 2.91Å; K71-Y73 PolarHBondContact O-N 3.35Å; Y73-Q75 VanDerWaalsContact C-N 3.33Å; Y73-N77 VanDerWaalsContact O-CB 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.23Å; Y73-N77 PolarHBondContact O-N 2.87Å; Y73-W139 HydrophobicContact CE1-CE3 4.46Å; Y73-W139 HydrophobicContact CE2-CE3 4.18Å; Y73-W139 HydrophobicContact CE2-CZ3 4.13Å; Y73-W139 AromaticContact CZ-CE3 3.74Å; Y73-W139 VanDerWaalsContact OH-CE3 3.24Å; Y73-L163 HydrophobicContact CE2-CD1 4.09Å; Y73-L163 WeakPolarHBondContact OH-CB 3.4Å; Y73-L163 WeakPolarHBondContact OH-CD1 3.3Å; Y73-L164 HydrophobicContact CE1-CD1 3.73Å
74R79.3Confident81.2Confident78 Ų7840.9 Ų40.929%0.29421%0.207SC..Hα-helixtrans-66.2-36.6172-70.3174.8-159.51357.3112.1I4 T37 L70 K71 Y72I4-R74 VanDerWaalsContact CD1-O 3.23Å; I4-R74 WeakPolarHBondContact CD1-O 3.44Å; T37-R74 HydrophobicContact CG2-CG 4.44Å; T37-R74 PolarHBondContact O-NE 3.13Å; T37-R74 PolarHBondContact O-NH2 3.34Å; L70-R74 WeakPolarHBondContact O-CG 3.45Å; L70-R74 PolarHBondContact O-N 3.16Å; K71-R74 WeakPolarHBondContact O-CB 3.33Å; K71-R74 PolarHBondContact O-N 3.09Å; Y72-R74 VanDerWaalsContact C-N 3.28Å; Y72-R74 PolarHBondContact O-N 2.91Å
75Q82.6Confident81.6Confident101 Ų10139.1 Ų39.147%0.47219%0.188SC..Hα-helixtrans-79.8-39.2-177.7-69176.7-53.200111.7K71 Y72 Y73K71-Q75 WeakPolarHBondContact O-CG 3.46Å; K71-Q75 PolarHBondContact O-N 3.2Å; K71-Q75 VanDerWaalsContact O-N 3.15Å; Y72-Q75 PolarHBondContact O-N 3.18Å; Y73-Q75 VanDerWaalsContact C-N 3.33Å
76A83.6Confident82Confident1 Ų138 Ų381%0.00818%0.181CC..Hα-helixtrans-75.7-30-177.700000113Y72 I123 D124 Y127Y72-A76 HydrophobicContact CE1-CB 4.42Å; Y72-A76 HydrophobicContact CE2-CB 4.29Å; Y72-A76 WeakPolarHBondContact O-CB 3.48Å; Y72-A76 PolarHBondContact O-N 3.39Å; A76-I123 HydrophobicContact CB-CG2 3.96Å; A76-I123 CarbonylContact O-C 3.56Å; A76-I123 WeakPolarHBondContact O-CA 3.35Å; A76-I123 VanDerWaalsContact O-CG2 3.25Å; A76-I123 WeakPolarHBondContact O-CG2 3.34Å; A76-D124 WeakPolarHBondContact O-CB 3.39Å; A76-D124 PolarHBondContact O-N 2.86Å; A76-Y127 HydrophobicContact CB-CD1 4.42Å; A76-Y127 HydrophobicContact CB-CD2 4.47Å; A76-Y127 HydrophobicContact CB-CG 4.03Å
77N81.1Confident82.5Confident5 Ų537.9 Ų37.93%0.02718%0.18CC..BIsolated β-bridgetrans-84.2124-176.6-175.618.8000111.9I4 Y73 T79 A122 I123I4-N77 HydrophobicContact CG2-CB 3.74Å; I4-N77 WeakPolarHBondContact CG2-ND2 3.34Å; Y73-N77 VanDerWaalsContact O-CB 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.23Å; Y73-N77 PolarHBondContact O-N 2.87Å; N77-T79 VanDerWaalsContact OD1-CB 3.29Å; N77-T79 WeakPolarHBondContact OD1-CB 3.44Å; N77-T79 PolarHBondContact OD1-N 2.79Å; N77-T79 PolarHBondContact OD1-OG1 3.18Å; N77-A122 PolarHBondContact OD1-O 3.43Å; N77-I123 HydrophobicContact CB-CD1 4.17Å
78I83.2Confident82.8Confident84 Ų8435.9 Ų35.943%0.43117%0.169SC..  trans-99.2-2.9177.155.6170000112.7N80 A122 D124I78-N80 PolarHBondContact O-N 2.95Å; I78-A122 HydrophobicContact CD1-CB 3.8Å; I78-A122 HydrophobicContact CG1-CB 3.7Å; I78-A122 WeakPolarHBondContact CG1-O 2.98Å; I78-A122 PolarHBondContact N-O 3.07Å; I78-D124 HydrophobicContact CG2-CB 3.87Å
79T81.7Confident83.1Confident18 Ų1835.6 Ų35.611%0.1116%0.164CC..  trans-78.8118.4-177.6-52.90000111.6N77 R81 C83 C121 A122N77-T79 VanDerWaalsContact OD1-CB 3.29Å; N77-T79 WeakPolarHBondContact OD1-CB 3.44Å; N77-T79 PolarHBondContact OD1-N 2.79Å; N77-T79 PolarHBondContact OD1-OG1 3.18Å; T79-R81 HydrophobicContact CG2-CG 3.8Å; T79-R81 PolarHBondContact O-N 3.2Å; T79-R81 VanDerWaalsContact O-N 3.12Å; T79-C83 HydrophobicContact CG2-CB 3.92Å; T79-C121 WeakPolarHBondContact OG1-CA 3.45Å; T79-A122 PolarHBondContact OG1-N 2.86Å; T79-A122 PolarHBondContact OG1-O 3.43Å
80N77.7Confident83.4Confident87 Ų8735.4 Ų35.447%0.46516%0.163SC..SBendtrans-82.925.3-175.6-74.7-20.1000114.9Y2 Y3 I78Y2-N80 WeakPolarHBondContact CB-ND2 3.36Å; Y2-N80 WeakPolarHBondContact CB-OD1 2.84Å; Y2-N80 HydrophobicContact CD1-CB 4.29Å; Y2-N80 HydrophobicContact CG-CB 4.28Å; Y3-N80 CarbonylContact O-C 3.5Å; Y3-N80 WeakPolarHBondContact O-CA 3.34Å; I78-N80 PolarHBondContact O-N 2.95Å
81R83.5Confident83.9Confident117 Ų11737.7 Ų37.744%0.44217%0.172SC..SBendtrans-159.8163.1-177.761.5176.5178.3159.20.9111.5Y3 T79 C83Y3-R81 PolarHBondContact O-N 3.08Å; T79-R81 HydrophobicContact CG2-CG 3.8Å; T79-R81 PolarHBondContact O-N 3.2Å; T79-R81 VanDerWaalsContact O-N 3.12Å; R81-C83 PolarHBondContact O-N 3Å
82P83.9Confident84.1Confident26 Ų2631.9 Ų31.917%0.16915%0.147CC..SBendtrans-50.7128.9168.1-29.239000112.4Y5 L87 T115 Q117Y5-P82 HydrophobicContact CD1-CG 4.19Å; Y5-P82 VanDerWaalsContact CD2-CD 3.45Å; Y5-P82 HydrophobicContact CD2-CG 3.87Å; Y5-P82 HydrophobicContact CE2-CG 4.36Å; Y5-P82 HydrophobicContact CG-CB 4.47Å; Y5-P82 HydrophobicContact CG-CG 3.75Å; P82-L87 HydrophobicContact CB-CD2 4.08Å; P82-L87 HydrophobicContact CG-CD2 4.11Å; P82-T115 HydrophobicContact CB-CG2 3.33Å; P82-T115 HydrophobicContact CG-CG2 3.55Å; P82-Q117 HydrophobicContact CB-CB 4.27Å
83C87.8Confident84.2Confident0 Ų031.2 Ų31.20%014%0.144CC..  trans-153.5172.9-176.560.60000110.9T79 R81 M85 Q117 Y119 C121T79-C83 HydrophobicContact CG2-CB 3.92Å; R81-C83 PolarHBondContact O-N 3Å; C83-M85 VanDerWaalsContact C-N 3.31Å; C83-M85 PolarHBondContact O-N 2.78Å; C83-Q117 CarbonylContact C-O 3.14Å; C83-Y119 CarbonylContact C-O 3.42Å; C83-Y119 WeakPolarHBondContact CA-O 3.07Å; C83-Y119 VanDerWaalsContact CB-O 3.32Å; C83-Y119 WeakPolarHBondContact CB-O 3.34Å; C83-C121 HydrophobicContact CB-CB 4.04Å; C83-C121 WeakPolarHBondContact CB-SG 3.14Å; C83-C121 WeakPolarHBondContact SG-CA 3.37Å; C83-C121 WeakPolarHBondContact SG-CB 3.2Å; C83-C121 CovalentContact SG-SG 2.03Å; C83-C121 PolarHBondContact SG-SG 3.33Å
84G86.9Confident84.1Confident0 Ų035.2 Ų35.20%017%0.166CC..THydrogen-bonded Turntrans78.82.7166.900000115.3C86 Q117 Y119 C121 C176 C177 C189G84-C86 VanDerWaalsContact C-N 3.29Å; G84-C86 VanDerWaalsContact C-SG 3.53Å; G84-C86 PolarHBondContact O-N 3.06Å; G84-C86 PolarHBondContact O-SG 2.77Å; G84-Q117 PolarHBondContact N-O 2.97Å; G84-Q117 VanDerWaalsContact N-O 3.15Å; G84-Y119 PolarHBondContact N-O 3.45Å; G84-C121 PolarHBondContact N-SG 2.88Å; G84-C121 VanDerWaalsContact N-SG 3.41Å; G84-C176 CarbonylContact O-C 3.48Å; G84-C177 WeakPolarHBondContact O-CB 3.31Å; G84-C177 PolarHBondContact O-N 2.78Å; G84-C189 VanDerWaalsContact CA-SG 3.54Å
85M87Confident84Confident27 Ų2736.6 Ų36.613%0.13318%0.176CC..THydrogen-bonded Turntrans51.950.2-169.4-64.6-69.7-164.600111.2C83 F111 Q117 C177 Y180 C189C83-M85 VanDerWaalsContact C-N 3.31Å; C83-M85 PolarHBondContact O-N 2.78Å; M85-F111 HydrophobicContact CB-CE1 3.91Å; M85-F111 HydrophobicContact CB-CZ 3.9Å; M85-F111 VanDerWaalsContact O-CE1 3.23Å; M85-F111 WeakPolarHBondContact O-CE1 3.43Å; M85-F111 HydrophobicContact SD-CE1 4.46Å; M85-F111 HydrophobicContact SD-CE2 4.5Å; M85-F111 HydrophobicContact SD-CZ 4.28Å; M85-Q117 VanDerWaalsContact C-OE1 3.23Å; M85-Q117 VanDerWaalsContact CA-OE1 3.3Å; M85-Q117 PolarHBondContact N-O 2.85Å; M85-Q117 HydrophobicContact SD-CG 3.88Å; M85-C177 WeakPolarHBondContact O-CB 3.44Å; M85-Y180 HydrophobicContact CB-CD2 3.73Å; M85-Y180 HydrophobicContact CB-CE2 4.01Å; M85-Y180 HydrophobicContact CB-CG 4.08Å; M85-Y180 HydrophobicContact CG-CD1 4.27Å; M85-Y180 HydrophobicContact CG-CD2 4.28Å; M85-Y180 HydrophobicContact CG-CE1 4.44Å; M85-Y180 HydrophobicContact CG-CE2 4.49Å; M85-Y180 HydrophobicContact CG-CG 4.2Å; M85-C189 HydrophobicContact CB-CB 4.44Å; M85-C189 HydrophobicContact CG-CB 3.69Å
86C85.2Confident83.7Confident1 Ų132.6 Ų32.61%0.00716%0.159CC..  trans-115.7-33.1-174.5-61.80000114.4F6 S7 G84 K88 C177F6-C86 HydrophobicContact CD2-CB 4.33Å; F6-C86 HydrophobicContact CE2-CB 4.28Å; F6-C86 WeakPolarHBondContact CE2-SG 3.43Å; S7-C86 WeakPolarHBondContact CB-O 3.13Å; S7-C86 PolarHBondContact OG-O 2.7Å; G84-C86 VanDerWaalsContact C-N 3.29Å; G84-C86 VanDerWaalsContact C-SG 3.53Å; G84-C86 PolarHBondContact O-N 3.06Å; G84-C86 PolarHBondContact O-SG 2.77Å; C86-K88 WeakPolarHBondContact O-CG 3.35Å; C86-K88 PolarHBondContact O-N 3.29Å; C86-C177 VanDerWaalsContact CA-SG 3.51Å; C86-C177 HydrophobicContact CB-CB 4.16Å; C86-C177 WeakPolarHBondContact CB-SG 3.45Å; C86-C177 WeakPolarHBondContact SG-CB 3.21Å; C86-C177 CovalentContact SG-SG 2.02Å; C86-C177 PolarHBondContact SG-SG 3.41Å
87L86.8Confident82.9Confident6 Ų636.7 Ų36.73%0.03119%0.187CC..  trans-67.7112.6-175.7-100.272.2000110.5Y5 P82 F111 C112 T115 Q117Y5-L87 HydrophobicContact CD1-CD2 4.01Å; P82-L87 HydrophobicContact CB-CD2 4.08Å; P82-L87 HydrophobicContact CG-CD2 4.11Å; L87-F111 WeakPolarHBondContact O-CA 3.24Å; L87-C112 HydrophobicContact CB-CB 4.28Å; L87-C112 PolarHBondContact O-N 3.47Å; L87-T115 HydrophobicContact CD2-CG2 4.22Å; L87-Q117 PolarHBondContact O-NE2 3.34Å
88K85.3Confident81.7Confident22 Ų2246.1 Ų46.110%0.09623%0.231CC..EExtended strand (participates in β ladder)trans-126.6149.8-175.7-64.6-164.5-166.3-173.80112.8L35 C86 E109 R110 F111L35-K88 WeakPolarHBondContact CB-O 3.42Å; L35-K88 PolarHBondContact N-O 2.68Å; C86-K88 WeakPolarHBondContact O-CG 3.35Å; C86-K88 PolarHBondContact O-N 3.29Å; K88-E109 HydrophobicContact CD-CB 3.78Å; K88-E109 HydrophobicContact CD-CG 4.4Å; K88-E109 WeakPolarHBondContact CD-OE2 3.49Å; K88-E109 IonicContact NZ-OE2 2.72Å; K88-E109 PolarHBondContact NZ-OE2 3.46Å; K88-R110 CarbonylContact C-O 3.54Å; K88-R110 WeakPolarHBondContact CA-O 3.29Å; K88-R110 VanDerWaalsContact CB-O 3.29Å; K88-R110 WeakPolarHBondContact CB-O 2.95Å; K88-F111 HydrophobicContact CG-CD1 4.28Å; K88-F111 HydrophobicContact CG-CE1 4.48Å
89Q87.5Confident80.2Confident28 Ų2844.9 Ų44.913%0.13123%0.232CC..EExtended strand (participates in β ladder)trans-101.6151.7163.1-60.7-179.9-69.800109.1W31 S32 E109 R110W31-Q89 HydrophobicContact CB-CB 4.17Å; W31-Q89 HydrophobicContact CD2-CB 4.48Å; W31-Q89 HydrophobicContact CE3-CB 3.88Å; W31-Q89 WeakPolarHBondContact CZ3-O 3.44Å; S32-Q89 WeakPolarHBondContact O-CG 3.21Å; S32-Q89 PolarHBondContact O-NE2 2.66Å; S32-Q89 WeakPolarHBondContact OG-CA 3.5Å; Q89-E109 WeakPolarHBondContact O-CA 3.25Å; Q89-R110 HydrophobicContact CB-CG 4.21Å; Q89-R110 PolarHBondContact N-O 3.04Å; Q89-R110 PolarHBondContact O-N 2.87Å; Q89-R110 VanDerWaalsContact OE1-CZ 3.32Å
90I85Confident78.8Confident2 Ų252.7 Ų52.71%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-125.3140.4-179.3-61.1178.9000109.3I10 S32 L35 L46 I107 R108 E109I10-I90 HydrophobicContact CB-CD1 3.39Å; I10-I90 HydrophobicContact CD1-CD1 3.48Å; I10-I90 VanDerWaalsContact CD1-CD1 3.48Å; I10-I90 HydrophobicContact CG1-CD1 4.02Å; I10-I90 HydrophobicContact CG2-CD1 3.35Å; S32-I90 VanDerWaalsContact CB-O 3.29Å; S32-I90 WeakPolarHBondContact CB-O 3.21Å; S32-I90 PolarHBondContact N-O 2.04Å; S32-I90 PolarHBondContact OG-N 2.72Å; S32-I90 PolarHBondContact OG-O 3.21Å; L35-I90 HydrophobicContact CD1-CB 4.26Å; L35-I90 HydrophobicContact CD1-CD1 3.48Å; L35-I90 VanDerWaalsContact CD1-CD1 3.48Å; L35-I90 HydrophobicContact CD1-CG1 3.77Å; L46-I90 HydrophobicContact CD2-CB 4.19Å; L46-I90 HydrophobicContact CD2-CD1 4.27Å; L46-I90 HydrophobicContact CD2-CG2 4.33Å; I90-I107 HydrophobicContact CG2-CG2 3.86Å; I90-R108 WeakPolarHBondContact CA-O 3.42Å; I90-E109 HydrophobicContact CG1-CG 4.38Å
91R87.9Confident77.5Confident49 Ų4950.8 Ų50.819%0.18527%0.265CS..EExtended strand (participates in β ladder)trans-130.4156.5162.265.6176.5-162.6-177.87.7109.2W28 S29 D30 W31 I107 R108W28-R91 HydrophobicContact CE3-CG 3.81Å; W28-R91 HydrophobicContact CZ3-CG 4.33Å; S29-R91 WeakPolarHBondContact O-CB 3.45Å; S29-R91 WeakPolarHBondContact OG-CB 3.36Å; D30-R91 WeakPolarHBondContact O-CB 3.2Å; W31-R91 HydrophobicContact CD2-CB 4.17Å; W31-R91 HydrophobicContact CD2-CG 4.01Å; W31-R91 HydrophobicContact CE3-CB 3.96Å; W31-R91 HydrophobicContact CE3-CG 3.81Å; W31-R91 HydrophobicContact CH2-CG 3.89Å; W31-R91 HydrophobicContact CZ2-CG 4.05Å; W31-R91 HydrophobicContact CZ3-CB 4.34Å; W31-R91 HydrophobicContact CZ3-CG 3.75Å; R91-I107 WeakPolarHBondContact O-CA 3.03Å; R91-R108 HydrophobicContact CG-CB 3.93Å; R91-R108 PolarHBondContact N-O 3.46Å; R91-R108 VanDerWaalsContact NH2-NH1 3.17Å; R91-R108 PolarHBondContact O-N 3.44Å
92C85.4Confident76.3Confident0 Ų053.2 Ų53.20%029%0.287CS..EExtended strand (participates in β ladder)trans-129.7166.7178.160.70000110.8W28 S29 C50 G106W28-C92 CarbonylContact C-O 3.46Å; W28-C92 WeakPolarHBondContact CA-O 3.5Å; W28-C92 VanDerWaalsContact CE3-C 3.46Å; S29-C92 PolarHBondContact N-O 3.33Å; S29-C92 PolarHBondContact OG-N 3.09Å; S29-C92 PolarHBondContact OG-O 2.8Å; C50-C92 WeakPolarHBondContact CA-SG 3.37Å; C50-C92 HydrophobicContact CB-CB 3.98Å; C50-C92 WeakPolarHBondContact CB-SG 3.11Å; C50-C92 PolarHBondContact N-SG 3.34Å; C50-C92 WeakPolarHBondContact SG-CB 3.49Å; C50-C92 PolarHBondContact SG-N 3.04Å; C50-C92 CovalentContact SG-SG 2.02Å; C50-C92 PolarHBondContact SG-SG 3.3Å; C92-G106 CarbonylContact C-O 3.24Å; C92-G106 WeakPolarHBondContact CA-O 3.32Å; C92-G106 WeakPolarHBondContact CB-O 3.42Å
93S85.6Confident75.1Confident0 Ų052.5 Ų52.50%028%0.283CS..EExtended strand (participates in β ladder)trans-136.3142.2166.3170.70000108T26 G27 Q95 C96 F105 G106T26-S93 WeakPolarHBondContact O-CB 3.5Å; T26-S93 PolarHBondContact O-OG 3.21Å; G27-S93 WeakPolarHBondContact O-CA 3.45Å; G27-S93 WeakPolarHBondContact O-CB 3.44Å; G27-S93 PolarHBondContact O-OG 3.14Å; S93-Q95 PolarHBondContact OG-N 3.42Å; S93-Q95 VanDerWaalsContact OG-N 3.14Å; S93-C96 PolarHBondContact O-SG 3.22Å; S93-C96 VanDerWaalsContact O-SG 3.32Å; S93-F105 CarbonylContact O-C 3.56Å; S93-F105 WeakPolarHBondContact O-CA 2.86Å; S93-F105 WeakPolarHBondContact O-CB 3.42Å; S93-G106 PolarHBondContact N-O 2.93Å; S93-G106 VanDerWaalsContact N-O 3.07Å; S93-G106 PolarHBondContact O-N 2.91Å
94D78.5Confident74.1Confident88 Ų8855.9 Ų55.947%0.47130%0.304SS..SBendtrans-102.3-1170.759.8-8.1000112.5T53 C96 P104T53-D94 HydrophobicContact CG2-CB 3.77Å; D94-C96 VanDerWaalsContact C-N 3.3Å; D94-C96 PolarHBondContact O-N 3.48Å; D94-P104 CarbonylContact C-O 3.6Å
95Q78.7Confident73.5Confident107 Ų10755.9 Ų55.950%0.531%0.305SS..  trans-96.842.4-179.7-60.8-177.1-5.300111.6T26 G27 S93 S97T26-Q95 PolarHBondContact OG1-OE1 2.93Å; T26-Q95 VanDerWaalsContact OG1-OE1 3.14Å; G27-Q95 VanDerWaalsContact CA-OE1 3.31Å; S93-Q95 PolarHBondContact OG-N 3.42Å; S93-Q95 VanDerWaalsContact OG-N 3.14Å; Q95-S97 PolarHBondContact O-N 3.47Å
96C74.6Confident73.2Confident17 Ų1754.6 Ų54.612%0.11530%0.298CS..  trans-89.3104.5-176.9-50.90000109.2C24 S93 D94 F105 G106C24-C96 HydrophobicContact CB-CB 3.9Å; C24-C96 WeakPolarHBondContact CB-SG 3.03Å; C24-C96 WeakPolarHBondContact SG-CB 3.33Å; C24-C96 CovalentContact SG-SG 2.01Å; C24-C96 PolarHBondContact SG-SG 3.18Å; S93-C96 PolarHBondContact O-SG 3.22Å; S93-C96 VanDerWaalsContact O-SG 3.32Å; D94-C96 VanDerWaalsContact C-N 3.3Å; D94-C96 PolarHBondContact O-N 3.48Å; C96-F105 VanDerWaalsContact SG-CA 3.56Å; C96-G106 PolarHBondContact SG-N 2.87Å
97S67.5Low72.9Confident86 Ų8654.7 Ų54.760%0.60130%0.299SS*.  trans-53.6147.1-178.8-47.90000112.8Q95 A99Q95-S97 PolarHBondContact O-N 3.47Å; S97-A99 PolarHBondContact O-N 3.27Å
98H56.6Low72.7Confident204 Ų20457.9 Ų57.994%0.94431%0.31SS*.  trans-44.996.6-173.8-70-98.4000114.1
99A50.4Low72.6Confident57 Ų5758.8 Ų58.847%0.47132%0.315SS..  trans-115.7150.6160.600000109.3R22 S97 S101R22-A99 VanDerWaalsContact CZ-O 3.31Å; R22-A99 PolarHBondContact NH1-O 2.94Å; R22-A99 PolarHBondContact NH2-O 3.32Å; S97-A99 PolarHBondContact O-N 3.27Å; A99-S101 PolarHBondContact O-N 3.28Å; A99-S101 VanDerWaalsContact O-O 3.14Å
100I52Low72.5Confident183 Ų18361.9 Ų61.994%0.93833%0.325SS*.SBendtrans-44.1-20.1-163.6-63.4157.9000117.4
101S51.8Low72.6Confident46 Ų4663.7 Ų63.732%0.32233%0.333SS..SBendtrans-91.2152.5178111.70000115R22 A99 S103R22-S101 PolarHBondContact NH1-O 3.09Å; R22-S101 PolarHBondContact NH2-O 3.14Å; R22-S101 PolarHBondContact NH2-OG 3.06Å; A99-S101 PolarHBondContact O-N 3.28Å; A99-S101 VanDerWaalsContact O-O 3.14Å; S101-S103 PolarHBondContact O-N 3.39Å; S101-S103 VanDerWaalsContact O-N 3.08Å
102N57Low72.6Confident169 Ų16961.7 Ų61.790%0.90433%0.326SS*.SBendtrans-74.89.6-173.1-67.6-26000115.5P104N102-P104 WeakPolarHBondContact O-CD 3.44Å
103S59.3Low72.6Confident11 Ų1164.5 Ų64.58%0.07735%0.35CS..  trans-99.7107.2-179.2-168.70000110.8R22 S101 F105R22-S103 PolarHBondContact NE-O 3.28Å; R22-S103 PolarHBondContact NH1-O 3.26Å; S101-S103 PolarHBondContact O-N 3.39Å; S101-S103 VanDerWaalsContact O-N 3.08Å; S103-F105 PolarHBondContact O-N 3.39Å; S103-F105 VanDerWaalsContact O-N 3.1Å; S103-F105 WeakPolarHBondContact OG-CD1 3.29Å; S103-F105 WeakPolarHBondContact OG-CE1 3.11Å; S103-F105 WeakPolarHBondContact OG-CZ 3.36Å
104P68.2Low72.6Confident70 Ų7072.9 Ų72.946%0.45540%0.395SS..  trans-76.99.3-175.132.6-37.1000113.8D94 N102D94-P104 CarbonylContact C-O 3.6Å; N102-P104 WeakPolarHBondContact O-CD 3.44Å
105F74.4Confident73Confident1 Ų170.9 Ų70.90%0.00439%0.386CS..  trans-134.2155.9-173.468.9-91.7000112.7V19 T53 L55 S93 C96 S103 I107V19-F105 HydrophobicContact CB-CZ 4.13Å; V19-F105 HydrophobicContact CG1-CE2 3.27Å; V19-F105 HydrophobicContact CG1-CZ 3.28Å; V19-F105 HydrophobicContact CG2-CZ 3.78Å; T53-F105 HydrophobicContact CG2-CB 4.29Å; L55-F105 HydrophobicContact CB-CD2 4.23Å; L55-F105 HydrophobicContact CB-CE1 4.09Å; L55-F105 HydrophobicContact CB-CE2 3.8Å; L55-F105 HydrophobicContact CB-CZ 3.69Å; L55-F105 HydrophobicContact CD1-CE2 4.19Å; L55-F105 HydrophobicContact CD1-CZ 4.31Å; L55-F105 HydrophobicContact CD2-CD2 4.5Å; L55-F105 HydrophobicContact CD2-CE2 4.31Å; L55-F105 HydrophobicContact CG-CE2 4.33Å; S93-F105 CarbonylContact O-C 3.56Å; S93-F105 WeakPolarHBondContact O-CA 2.86Å; S93-F105 WeakPolarHBondContact O-CB 3.42Å; C96-F105 VanDerWaalsContact SG-CA 3.56Å; S103-F105 PolarHBondContact O-N 3.39Å; S103-F105 VanDerWaalsContact O-N 3.1Å; S103-F105 WeakPolarHBondContact OG-CD1 3.29Å; S103-F105 WeakPolarHBondContact OG-CE1 3.11Å; S103-F105 WeakPolarHBondContact OG-CZ 3.36Å; F105-I107 HydrophobicContact CD2-CD1 4.02Å; F105-I107 HydrophobicContact CD2-CG1 3.82Å; F105-I107 HydrophobicContact CE2-CD1 3.52Å; F105-I107 HydrophobicContact CE2-CG1 3.83Å
106G79Confident73.4Confident0 Ų070.1 Ų70.10%039%0.385CS..EExtended strand (participates in β ladder)trans-118.2155.1176.600000111.4R22 C24 C92 S93 C96R22-G106 WeakPolarHBondContact O-CA 3.41Å; C24-G106 WeakPolarHBondContact SG-CA 3.48Å; C92-G106 CarbonylContact C-O 3.24Å; C92-G106 WeakPolarHBondContact CA-O 3.32Å; C92-G106 WeakPolarHBondContact CB-O 3.42Å; S93-G106 PolarHBondContact N-O 2.93Å; S93-G106 VanDerWaalsContact N-O 3.07Å; S93-G106 PolarHBondContact O-N 2.91Å; C96-G106 PolarHBondContact SG-N 2.87Å
107I79.5Confident74.1Confident3 Ų369.5 Ų69.52%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-137.8119-173.9-65.2-173.8000111.3L14 V19 N21 L55 I90 R91 F105L14-I107 HydrophobicContact CD1-CD1 3.12Å; L14-I107 HydrophobicContact CD1-CG2 4.45Å; L14-I107 HydrophobicContact CG-CD1 4.46Å; V19-I107 HydrophobicContact CG1-CD1 4.08Å; N21-I107 PolarHBondContact ND2-O 3.3Å; N21-I107 PolarHBondContact OD1-N 3.19Å; N21-I107 PolarHBondContact OD1-O 2.74Å; L55-I107 HydrophobicContact CD1-CD1 3.72Å; L55-I107 HydrophobicContact CD2-CD1 3.56Å; L55-I107 HydrophobicContact CD2-CG1 4.19Å; L55-I107 HydrophobicContact CG-CD1 4.23Å; I90-I107 HydrophobicContact CG2-CG2 3.86Å; R91-I107 WeakPolarHBondContact O-CA 3.03Å; F105-I107 HydrophobicContact CD2-CD1 4.02Å; F105-I107 HydrophobicContact CD2-CG1 3.82Å; F105-I107 HydrophobicContact CE2-CD1 3.52Å; F105-I107 HydrophobicContact CE2-CG1 3.83Å
108R83.1Confident75.2Confident72 Ų7266.3 Ų66.327%0.27236%0.358SS..EExtended strand (participates in β ladder)trans-105.2141.8170.4-72.2173.8-176.3-153.8-0.3110.2E23 W28 W31 I90 R91E23-R108 IonicContact OE1-CZ 2.72Å; E23-R108 IonicContact OE1-NH2 2.81Å; E23-R108 PolarHBondContact OE1-NH2 3.11Å; W28-R108 HydrophobicContact CE3-CG 4.49Å; W28-R108 HydrophobicContact CH2-CB 4.44Å; W28-R108 HydrophobicContact CH2-CG 3.58Å; W28-R108 HydrophobicContact CZ2-CG 4.14Å; W28-R108 HydrophobicContact CZ3-CB 4.15Å; W28-R108 HydrophobicContact CZ3-CG 3.78Å; W31-R108 HydrophobicContact CH2-CB 3.78Å; W31-R108 HydrophobicContact CZ3-CB 4.24Å; W31-R108 WeakPolarHBondContact CZ3-O 3.49Å; I90-R108 WeakPolarHBondContact CA-O 3.42Å; R91-R108 HydrophobicContact CG-CB 3.93Å; R91-R108 PolarHBondContact N-O 3.46Å; R91-R108 VanDerWaalsContact NH2-NH1 3.17Å; R91-R108 PolarHBondContact O-N 3.44Å
109E82.8Confident76.8Confident41 Ų4160 Ų6019%0.19233%0.326CS..EExtended strand (participates in β ladder)trans-115.4144.8168.5-52-171.6141.100109.2N11 K88 Q89 I90N11-E109 HydrophobicContact CB-CG 4.05Å; N11-E109 WeakPolarHBondContact CB-OE1 3.33Å; N11-E109 PolarHBondContact N-OE1 3.25Å; K88-E109 HydrophobicContact CD-CB 3.78Å; K88-E109 HydrophobicContact CD-CG 4.4Å; K88-E109 WeakPolarHBondContact CD-OE2 3.49Å; K88-E109 IonicContact NZ-OE2 2.72Å; K88-E109 PolarHBondContact NZ-OE2 3.46Å; Q89-E109 WeakPolarHBondContact O-CA 3.25Å; I90-E109 HydrophobicContact CG1-CG 4.38Å
110R85.2Confident78.7Confident93 Ų9357.6 Ų57.635%0.35131%0.307SS..EExtended strand (participates in β ladder)trans-139.6162.1165.870.2174-174.5-174.60.8110.1W31 K88 Q89W31-R110 HydrophobicContact CD2-CG 4.01Å; W31-R110 HydrophobicContact CE3-CG 3.74Å; W31-R110 HydrophobicContact CH2-CB 3.76Å; W31-R110 HydrophobicContact CH2-CG 3.66Å; W31-R110 HydrophobicContact CZ2-CB 4.27Å; W31-R110 HydrophobicContact CZ2-CG 3.96Å; W31-R110 HydrophobicContact CZ3-CB 3.99Å; W31-R110 HydrophobicContact CZ3-CG 3.56Å; K88-R110 CarbonylContact C-O 3.54Å; K88-R110 WeakPolarHBondContact CA-O 3.29Å; K88-R110 VanDerWaalsContact CB-O 3.29Å; K88-R110 WeakPolarHBondContact CB-O 2.95Å; Q89-R110 HydrophobicContact CB-CG 4.21Å; Q89-R110 PolarHBondContact N-O 3.04Å; Q89-R110 PolarHBondContact O-N 2.87Å; Q89-R110 VanDerWaalsContact OE1-CZ 3.32Å
111F87Confident80.4Confident41 Ų4148.9 Ų48.918%0.1826%0.262CS..EExtended strand (participates in β ladder)trans-64.9146.7167.9-68.6-58.2000111.3M85 L87 K88 A113 Y180 F209M85-F111 HydrophobicContact CB-CE1 3.91Å; M85-F111 HydrophobicContact CB-CZ 3.9Å; M85-F111 VanDerWaalsContact O-CE1 3.23Å; M85-F111 WeakPolarHBondContact O-CE1 3.43Å; M85-F111 HydrophobicContact SD-CE1 4.46Å; M85-F111 HydrophobicContact SD-CE2 4.5Å; M85-F111 HydrophobicContact SD-CZ 4.28Å; L87-F111 WeakPolarHBondContact O-CA 3.24Å; K88-F111 HydrophobicContact CG-CD1 4.28Å; K88-F111 HydrophobicContact CG-CE1 4.48Å; F111-A113 PolarHBondContact O-N 3.07Å; F111-Y180 HydrophobicContact CE2-CE2 4.35Å; F111-Y180 WeakPolarHBondContact CE2-OH 3.48Å; F111-Y180 AromaticContact CZ-CE2 3.74Å; F111-Y180 HydrophobicContact CZ-CE2 3.74Å; F111-F209 HydrophobicContact CD2-CE2 4.14Å; F111-F209 HydrophobicContact CD2-CZ 4.04Å; F111-F209 HydrophobicContact CE2-CE2 4.02Å; F111-F209 HydrophobicContact CE2-CZ 4.06Å
112C88.7Confident82.2Confident6 Ų647.5 Ų47.54%0.04125%0.254CS..PPolyproline II helixtrans-55.5129.8166.8-74.70000111.3C34 L87C34-C112 WeakPolarHBondContact CA-SG 3.49Å; C34-C112 HydrophobicContact CB-CB 4.25Å; C34-C112 WeakPolarHBondContact CB-SG 3.44Å; C34-C112 WeakPolarHBondContact SG-CB 3.41Å; C34-C112 CovalentContact SG-SG 2.02Å; C34-C112 PolarHBondContact SG-SG 3.33Å; L87-C112 HydrophobicContact CB-CB 4.28Å; L87-C112 PolarHBondContact O-N 3.47Å
113A85.9Confident83.6Confident59 Ų5939.7 Ų39.749%0.48821%0.212SC..THydrogen-bonded Turntrans-66.7155.1172.100000110.5F111 T115F111-A113 PolarHBondContact O-N 3.07Å; A113-T115 PolarHBondContact O-N 2.9Å; A113-T115 PolarHBondContact O-OG1 2.82Å
114N85.3Confident84.9Confident177 Ų17741.9 Ų41.995%0.94722%0.223SC*.THydrogen-bonded Turntrans56.523.3173.9-50.8-27.1000114.8
115T85.2Confident85.5Confident46 Ų4642.4 Ų42.428%0.28222%0.219SC..  trans-128.1112179.9-55.80000109P82 L87 A113 Q117P82-T115 HydrophobicContact CB-CG2 3.33Å; P82-T115 HydrophobicContact CG-CG2 3.55Å; L87-T115 HydrophobicContact CD2-CG2 4.22Å; A113-T115 PolarHBondContact O-N 2.9Å; A113-T115 PolarHBondContact O-OG1 2.82Å; T115-Q117 PolarHBondContact O-N 2.93Å
116D87.7Confident86Confident90 Ų9045.7 Ų45.748%0.48125%0.246SC..  trans-77.1115.1169.4-173.37.6000109.3S118 Y119D116-S118 WeakPolarHBondContact OD1-CB 3.12Å; D116-S118 PolarHBondContact OD1-N 3.43Å; D116-S118 PolarHBondContact OD1-OG 3.06Å; D116-Y119 VanDerWaalsContact OD2-CE2 3.3Å; D116-Y119 WeakPolarHBondContact OD2-CE2 3.32Å
117Q90Very high86.2Confident4 Ų449.6 Ų49.62%0.01926%0.262CS..  trans-126.219.5177.554.2-179.2-54.700110.2P82 C83 G84 M85 L87 T115 Y119P82-Q117 HydrophobicContact CB-CB 4.27Å; C83-Q117 CarbonylContact C-O 3.14Å; G84-Q117 PolarHBondContact N-O 2.97Å; G84-Q117 VanDerWaalsContact N-O 3.15Å; M85-Q117 VanDerWaalsContact C-OE1 3.23Å; M85-Q117 VanDerWaalsContact CA-OE1 3.3Å; M85-Q117 PolarHBondContact N-O 2.85Å; M85-Q117 HydrophobicContact SD-CG 3.88Å; L87-Q117 PolarHBondContact O-NE2 3.34Å; T115-Q117 PolarHBondContact O-N 2.93Å; Q117-Y119 VanDerWaalsContact C-N 3.26Å; Q117-Y119 PolarHBondContact O-N 2.89Å
118S90Very high86.3Confident20 Ų2049.6 Ų49.614%0.1426%0.262CS..  trans-73.7-16.4-17867.70000113.2D116 K188 C189D116-S118 WeakPolarHBondContact OD1-CB 3.12Å; D116-S118 PolarHBondContact OD1-N 3.43Å; D116-S118 PolarHBondContact OD1-OG 3.06Å; S118-K188 CarbonylContact O-C 3.57Å; S118-K188 VanDerWaalsContact O-CA 3.24Å; S118-K188 WeakPolarHBondContact O-CA 3.33Å; S118-C189 WeakPolarHBondContact O-CB 3.17Å; S118-C189 PolarHBondContact O-N 2.92Å
119Y90.5Very high86.4Confident70 Ų7047.7 Ų47.728%0.27526%0.255SS..BIsolated β-bridgetrans-76.9142.2175-64.1-85.2000111C83 G84 D116 Q117 K188C83-Y119 CarbonylContact C-O 3.42Å; C83-Y119 WeakPolarHBondContact CA-O 3.07Å; C83-Y119 VanDerWaalsContact CB-O 3.32Å; C83-Y119 WeakPolarHBondContact CB-O 3.34Å; G84-Y119 PolarHBondContact N-O 3.45Å; D116-Y119 VanDerWaalsContact OD2-CE2 3.3Å; D116-Y119 WeakPolarHBondContact OD2-CE2 3.32Å; Q117-Y119 VanDerWaalsContact C-N 3.26Å; Q117-Y119 PolarHBondContact O-N 2.89Å; Y119-K188 HydrophobicContact CD1-CG 4.36Å; Y119-K188 HydrophobicContact CE1-CG 4.4Å
120A89.4Confident86.5Confident8 Ų848.1 Ų48.17%0.06626%0.259CS..PPolyproline II helixtrans-64.4141.2171.500000110.4Y174 P182 A187A120-Y174 HydrophobicContact CB-CD1 4.44Å; A120-P182 HydrophobicContact CB-CB 3.86Å; A120-P182 HydrophobicContact CB-CG 4.04Å; A120-A187 WeakPolarHBondContact CB-O 3.49Å; A120-A187 PolarHBondContact N-O 3.44Å
121C88.7Confident86.4Confident0 Ų047.8 Ų47.80%027%0.269CS..EExtended strand (participates in β ladder)trans-78.4122.1175.4-60.30000109.3T79 C83 G84 I123 Y174 C175T79-C121 WeakPolarHBondContact OG1-CA 3.45Å; C83-C121 HydrophobicContact CB-CB 4.04Å; C83-C121 WeakPolarHBondContact CB-SG 3.14Å; C83-C121 WeakPolarHBondContact SG-CA 3.37Å; C83-C121 WeakPolarHBondContact SG-CB 3.2Å; C83-C121 CovalentContact SG-SG 2.03Å; C83-C121 PolarHBondContact SG-SG 3.33Å; G84-C121 PolarHBondContact N-SG 2.88Å; G84-C121 VanDerWaalsContact N-SG 3.41Å; C121-I123 HydrophobicContact CB-CD1 4.22Å; C121-Y174 CarbonylContact O-C 3.45Å; C121-Y174 VanDerWaalsContact O-CA 3.31Å; C121-Y174 WeakPolarHBondContact O-CA 3.32Å; C121-C175 PolarHBondContact N-O 2.94Å; C121-C175 PolarHBondContact O-N 2.85Å
122A88.9Confident86.3Confident17 Ų1752.9 Ų52.914%0.1430%0.296CS..EExtended strand (participates in β ladder)trans-69131.7164.700000109.5N77 I78 T79 C173 Y174N77-A122 PolarHBondContact OD1-O 3.43Å; I78-A122 HydrophobicContact CD1-CB 3.8Å; I78-A122 HydrophobicContact CG1-CB 3.7Å; I78-A122 WeakPolarHBondContact CG1-O 2.98Å; I78-A122 PolarHBondContact N-O 3.07Å; T79-A122 PolarHBondContact OG1-N 2.86Å; T79-A122 PolarHBondContact OG1-O 3.43Å; A122-C173 WeakPolarHBondContact CA-O 3.03Å; A122-Y174 HydrophobicContact CB-CD1 4.05Å; A122-Y174 HydrophobicContact CB-CE1 3.79Å
123I87Confident86.2Confident4 Ų456.5 Ų56.52%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-114142177.7-52.4-59000107.8A76 N77 C121 E125 S128 A138 C173 C175A76-I123 HydrophobicContact CB-CG2 3.96Å; A76-I123 CarbonylContact O-C 3.56Å; A76-I123 WeakPolarHBondContact O-CA 3.35Å; A76-I123 VanDerWaalsContact O-CG2 3.25Å; A76-I123 WeakPolarHBondContact O-CG2 3.34Å; N77-I123 HydrophobicContact CB-CD1 4.17Å; C121-I123 HydrophobicContact CB-CD1 4.22Å; I123-E125 PolarHBondContact O-N 2.9Å; I123-S128 WeakPolarHBondContact CG2-OG 3.33Å; I123-A138 HydrophobicContact CG1-CB 4.3Å; I123-A138 HydrophobicContact CG2-CB 4.12Å; I123-C173 PolarHBondContact N-O 3.19Å; I123-C175 HydrophobicContact CG1-CB 4.03Å; I123-C175 VanDerWaalsContact CG1-SG 3.5Å
124D85.6Confident86Confident58 Ų5859.9 Ų59.931%0.3132%0.323SS..  trans-56.7129.4174.6-171.8-52.8000110.2A76 I78 A126 Y127 S128A76-D124 WeakPolarHBondContact O-CB 3.39Å; A76-D124 PolarHBondContact O-N 2.86Å; I78-D124 HydrophobicContact CG2-CB 3.87Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.73Å; D124-A126 WeakPolarHBondContact OD1-CB 2.89Å; D124-A126 PolarHBondContact OD1-N 2.79Å; D124-Y127 HydrophobicContact CB-CD2 3.79Å; D124-Y127 HydrophobicContact CB-CE2 4.4Å; D124-Y127 PolarHBondContact O-N 3.29Å; D124-Y127 VanDerWaalsContact O-N 3.17Å; D124-S128 PolarHBondContact O-N 2.64Å; D124-S128 PolarHBondContact O-OG 2.68Å
125E81.9Confident86Confident80 Ų8054 Ų5437%0.37430%0.296SS..Hα-helixtrans-63-33.4-175.3-67.6172.9-158.100111.9I123 Y127 S128 Y129 A171 K172I123-E125 PolarHBondContact O-N 2.9Å; E125-Y127 PolarHBondContact O-N 2.69Å; E125-Y127 VanDerWaalsContact O-N 3.13Å; E125-S128 PolarHBondContact O-N 3.05Å; E125-Y129 PolarHBondContact O-N 3.39Å; E125-A171 VanDerWaalsContact CD-O 3.31Å; E125-K172 HydrophobicContact CG-CG 4.45Å; E125-K172 WeakPolarHBondContact OE1-CG 2.9Å
126A84.3Confident86.1Confident70 Ų7052.9 Ų52.958%0.57929%0.29SS*.Hα-helixtrans-57.3-33.617800000111.5D124 K142D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.73Å; D124-A126 WeakPolarHBondContact OD1-CB 2.89Å; D124-A126 PolarHBondContact OD1-N 2.79Å; A126-K142 PolarHBondContact O-NZ 2.73Å; A126-K142 VanDerWaalsContact O-NZ 3.16Å
127Y83.3Confident85.9Confident82 Ų8251.5 Ų51.532%0.32229%0.287SS..Hα-helixtrans-91.6-25.7-178.1-65.2-89.6000113.9Y72 A76 D124 E125Y72-Y127 HydrophobicContact CD2-CD1 4.47Å; Y72-Y127 AromaticContact CE2-CD1 3.86Å; Y72-Y127 HydrophobicContact CE2-CD1 3.86Å; A76-Y127 HydrophobicContact CB-CD1 4.42Å; A76-Y127 HydrophobicContact CB-CD2 4.47Å; A76-Y127 HydrophobicContact CB-CG 4.03Å; D124-Y127 HydrophobicContact CB-CD2 3.79Å; D124-Y127 HydrophobicContact CB-CE2 4.4Å; D124-Y127 PolarHBondContact O-N 3.29Å; D124-Y127 VanDerWaalsContact O-N 3.17Å; E125-Y127 PolarHBondContact O-N 2.69Å; E125-Y127 VanDerWaalsContact O-N 3.13Å
128S82.7Confident85.4Confident3 Ų351.4 Ų51.42%0.02129%0.287CS..Hα-helixtrans-129.2-22.7-162.662.70000116.4I123 D124 E125 C136 S137 C173I123-S128 WeakPolarHBondContact CG2-OG 3.33Å; D124-S128 PolarHBondContact O-N 2.64Å; D124-S128 PolarHBondContact O-OG 2.68Å; E125-S128 PolarHBondContact O-N 3.05Å; S128-C136 WeakPolarHBondContact O-CA 3.4Å; S128-S137 WeakPolarHBondContact CA-O 3.23Å; S128-S137 CarbonylContact O-C 3.47Å; S128-S137 PolarHBondContact O-N 2.04Å; S128-C173 PolarHBondContact O-SG 2.96Å; S128-C173 VanDerWaalsContact OG-CB 3.3Å; S128-C173 WeakPolarHBondContact OG-CB 3.11Å
129Y84.6Confident85.1Confident32 Ų3251.4 Ų51.413%0.12528%0.284CS..EExtended strand (participates in β ladder)trans-96137.5-178.9-173.4-117.4000110.3E125 P131 H134 K142 A171E125-Y129 PolarHBondContact O-N 3.39Å; Y129-P131 HydrophobicContact CE1-CB 4.17Å; Y129-H134 PolarHBondContact OH-ND1 2.02Å; Y129-K142 PolarHBondContact O-NZ 2.02Å; Y129-A171 HydrophobicContact CE1-CB 4.02Å
130D84.9Confident84.7Confident51 Ų5150.7 Ų50.727%0.27329%0.288SS..EExtended strand (participates in β ladder)trans-109.5111.3168.6178.3-3.3000108.8I132 T133 H134 S135D130-I132 PolarHBondContact O-N 2.84Å; D130-I132 WeakPolarHBondContact OD1-CB 3.43Å; D130-I132 PolarHBondContact OD1-N 2.94Å; D130-T133 WeakPolarHBondContact CB-OG1 3.05Å; D130-T133 PolarHBondContact OD1-N 3.02Å; D130-T133 WeakPolarHBondContact OD2-CB 3.28Å; D130-T133 VanDerWaalsContact OD2-CG2 3.32Å; D130-T133 WeakPolarHBondContact OD2-CG2 3.4Å; D130-T133 PolarHBondContact OD2-OG1 2.64Å; D130-H134 VanDerWaalsContact O-CA 3.23Å; D130-H134 WeakPolarHBondContact O-CA 3.15Å; D130-H134 PolarHBondContact O-N 3.2Å; D130-S135 PolarHBondContact N-O 3.17Å; D130-S135 PolarHBondContact O-N 3.03Å
131P82.6Confident84.3Confident86 Ų8651 Ų5156%0.55829%0.29SS*.THydrogen-bonded Turntrans-70.6-17.9-177.730.1-35.3000113.5Y129Y129-P131 HydrophobicContact CE1-CB 4.17Å
132I85.4Confident83.9Confident148 Ų14857.3 Ų57.376%0.75932%0.317SS*.THydrogen-bonded Turntrans-83.1-48.5-179-58175.8000109.9D130D130-I132 PolarHBondContact O-N 2.84Å; D130-I132 WeakPolarHBondContact OD1-CB 3.43Å; D130-I132 PolarHBondContact OD1-N 2.94Å
133T86.6Confident83.4Confident82 Ų8262.8 Ų62.850%0.50334%0.344SS..THydrogen-bonded Turntrans-90.3-5-178.262.50000113.3D130 S135D130-T133 WeakPolarHBondContact CB-OG1 3.05Å; D130-T133 PolarHBondContact OD1-N 3.02Å; D130-T133 WeakPolarHBondContact OD2-CB 3.28Å; D130-T133 VanDerWaalsContact OD2-CG2 3.32Å; D130-T133 WeakPolarHBondContact OD2-CG2 3.4Å; D130-T133 PolarHBondContact OD2-OG1 2.64Å; T133-S135 PolarHBondContact O-N 2.74Å; T133-S135 VanDerWaalsContact O-N 3.09Å; T133-S135 WeakPolarHBondContact OG1-CB 3.01Å; T133-S135 PolarHBondContact OG1-OG 2.72Å
134H82.5Confident82.9Confident129 Ų12969.5 Ų69.560%0.59738%0.375SS*.THydrogen-bonded Turntrans51.526.7-170.4-64-70.5000113.3Y129 D130Y129-H134 PolarHBondContact OH-ND1 2.02Å; D130-H134 VanDerWaalsContact O-CA 3.23Å; D130-H134 WeakPolarHBondContact O-CA 3.15Å; D130-H134 PolarHBondContact O-N 3.2Å
135S85.5Confident82.6Confident53 Ų5368.2 Ų68.237%0.37137%0.366SS..EExtended strand (participates in β ladder)trans-98.8152.5-17577.30000111.7D130 T133D130-S135 PolarHBondContact N-O 3.17Å; D130-S135 PolarHBondContact O-N 3.03Å; T133-S135 PolarHBondContact O-N 2.74Å; T133-S135 VanDerWaalsContact O-N 3.09Å; T133-S135 WeakPolarHBondContact OG1-CB 3.01Å; T133-S135 PolarHBondContact OG1-OG 2.72Å
136C86.4Confident82.6Confident24 Ų2465.1 Ų65.116%0.16235%0.352CS..EExtended strand (participates in β ladder)trans-113.6113.9176.3-810000110.2S128 C166 S168 C173S128-C136 WeakPolarHBondContact O-CA 3.4Å; C136-C166 HydrophobicContact CB-CB 3.85Å; C136-S168 WeakPolarHBondContact SG-CA 3.05Å; C136-S168 VanDerWaalsContact SG-CB 3.55Å; C136-C173 WeakPolarHBondContact CA-SG 3.32Å; C136-C173 HydrophobicContact CB-CB 3.79Å; C136-C173 WeakPolarHBondContact CB-SG 3.42Å; C136-C173 WeakPolarHBondContact SG-CA 3.35Å; C136-C173 WeakPolarHBondContact SG-CB 3.33Å; C136-C173 CovalentContact SG-SG 2.04Å; C136-C173 PolarHBondContact SG-SG 2.94Å
137S82.7Confident82.4Confident60 Ų6063.9 Ų63.942%0.4234%0.338SS..  trans-136.7105.7172.3-170.70000110.3S128 W139S128-S137 WeakPolarHBondContact CA-O 3.23Å; S128-S137 CarbonylContact O-C 3.47Å; S128-S137 PolarHBondContact O-N 2.04Å; S137-W139 VanDerWaalsContact C-N 3.26Å; S137-W139 PolarHBondContact OG-O 2.88Å
138A81.1Confident82.2Confident2 Ų265.3 Ų65.32%0.01736%0.358CS..  trans-84.2-0.2173.600000112.9Y72 I123 L164Y72-A138 VanDerWaalsContact CE1-O 3.29Å; Y72-A138 WeakPolarHBondContact CE1-O 3.29Å; Y72-A138 PolarHBondContact OH-O 3.22Å; I123-A138 HydrophobicContact CG1-CB 4.3Å; I123-A138 HydrophobicContact CG2-CB 4.12Å; A138-L164 HydrophobicContact CB-CD1 3.88Å
139W83.3Confident82.1Confident20 Ų2073.1 Ų73.18%0.07640%0.398CS..SBendtrans-155.8136.4-179.7-173-91.7000111.7I69 Y72 Y73 S137 P141 Y145 L158 L161 L163I69-W139 HydrophobicContact CD1-CH2 4.3Å; I69-W139 HydrophobicContact CG1-CH2 4.02Å; I69-W139 HydrophobicContact CG2-CH2 3.99Å; I69-W139 HydrophobicContact CG2-CZ3 4.05Å; Y72-W139 HydrophobicContact CD1-CE3 4.13Å; Y72-W139 AromaticContact CD1-CZ3 3.99Å; Y72-W139 HydrophobicContact CD1-CZ3 3.99Å; Y72-W139 AromaticContact CE1-CE3 3.94Å; Y72-W139 HydrophobicContact CE1-CE3 3.94Å; Y72-W139 HydrophobicContact CE1-CZ3 4.26Å; Y73-W139 HydrophobicContact CE1-CE3 4.46Å; Y73-W139 HydrophobicContact CE2-CE3 4.18Å; Y73-W139 HydrophobicContact CE2-CZ3 4.13Å; Y73-W139 AromaticContact CZ-CE3 3.74Å; Y73-W139 VanDerWaalsContact OH-CE3 3.24Å; S137-W139 VanDerWaalsContact C-N 3.26Å; S137-W139 PolarHBondContact OG-O 2.88Å; W139-P141 HydrophobicContact CE3-CG 4.01Å; W139-P141 HydrophobicContact CH2-CG 4.45Å; W139-P141 HydrophobicContact CZ3-CG 3.76Å; W139-Y145 HydrophobicContact CH2-CD2 4.19Å; W139-Y145 HydrophobicContact CH2-CE1 4.36Å; W139-Y145 AromaticContact CH2-CE2 3.37Å; W139-Y145 HydrophobicContact CH2-CE2 3.37Å; W139-Y145 AromaticContact CH2-CZ 3.47Å; W139-Y145 VanDerWaalsContact CH2-CZ 3.47Å; W139-Y145 WeakPolarHBondContact CH2-OH 3.34Å; W139-Y145 HydrophobicContact CZ2-CE2 4.07Å; W139-Y145 AromaticContact CZ2-CZ 3.77Å; W139-Y145 VanDerWaalsContact CZ2-OH 3.24Å; W139-Y145 WeakPolarHBondContact CZ2-OH 3.29Å; W139-Y145 HydrophobicContact CZ3-CE2 4.17Å; W139-L158 HydrophobicContact CZ2-CB 4.48Å; W139-L158 WeakPolarHBondContact CZ2-O 3.46Å; W139-L158 PolarHBondContact NE1-O 2.89Å; W139-L161 PolarHBondContact NE1-O 2.84Å; W139-L163 HydrophobicContact CD2-CD1 4.02Å; W139-L163 HydrophobicContact CE3-CD1 4.4Å; W139-L163 HydrophobicContact CG-CD1 4.39Å; W139-L163 HydrophobicContact CZ2-CD1 4.3Å
140P82.6Confident81.9Confident55 Ų5572.3 Ų72.336%0.35740%0.396SS..SBendcis-70.8162.7-1.730-35.6000113.1N159P140-N159 HydrophobicContact CB-CB 4.24Å; P140-N159 HydrophobicContact CG-CB 4.33Å
141P81Confident81.6Confident15 Ų1573.6 Ų73.610%0.09741%0.408CS..  trans-59.1143.6172.3-22.936.4000111.5Y72 W139 N143 Y145Y72-P141 HydrophobicContact CD1-CG 3.82Å; Y72-P141 HydrophobicContact CD2-CB 3.75Å; Y72-P141 HydrophobicContact CD2-CG 3.66Å; Y72-P141 HydrophobicContact CE1-CG 3.8Å; Y72-P141 HydrophobicContact CE2-CB 3.49Å; Y72-P141 VanDerWaalsContact CE2-CB 3.49Å; Y72-P141 HydrophobicContact CE2-CG 3.62Å; Y72-P141 HydrophobicContact CG-CB 4.35Å; Y72-P141 HydrophobicContact CG-CG 3.74Å; W139-P141 HydrophobicContact CE3-CG 4.01Å; W139-P141 HydrophobicContact CH2-CG 4.45Å; W139-P141 HydrophobicContact CZ3-CG 3.76Å; P141-N143 VanDerWaalsContact C-N 3.3Å; P141-N143 PolarHBondContact O-N 3.2Å; P141-Y145 HydrophobicContact CB-CD1 3.8Å; P141-Y145 HydrophobicContact CB-CE1 4.49Å; P141-Y145 HydrophobicContact CB-CG 4.24Å; P141-Y145 VanDerWaalsContact CD-CE1 3.45Å; P141-Y145 HydrophobicContact CG-CD1 3.42Å; P141-Y145 VanDerWaalsContact CG-CD1 3.42Å; P141-Y145 HydrophobicContact CG-CD2 4.29Å; P141-Y145 HydrophobicContact CG-CE1 3.86Å; P141-Y145 HydrophobicContact CG-CG 3.68Å
142K79.1Confident81.6Confident133 Ų13375.6 Ų75.658%0.57841%0.409SS*.SBendtrans-63.6-35.3176.8-63.3177.5-176.9171.20112.6A126 Y129A126-K142 PolarHBondContact O-NZ 2.73Å; A126-K142 VanDerWaalsContact O-NZ 3.16Å; Y129-K142 PolarHBondContact O-NZ 2.02Å
143N79Confident81.2Confident132 Ų13272.8 Ų72.871%0.70640%0.403SS*.SBendtrans-101.2156.8-178.9-62.3-22.1000111.4P141 Y145P141-N143 VanDerWaalsContact C-N 3.3Å; P141-N143 PolarHBondContact O-N 3.2Å; N143-Y145 PolarHBondContact O-N 3.44Å
144E76.6Confident80.6Confident144 Ų14470.7 Ų70.767%0.67339%0.39SS*.  trans-61.5120.7176.4-169.6163.8-154.900110.9K155E144-K155 IonicContact OE1-NZ 3.81Å; E144-K155 PolarHBondContact OE1-NZ 3.02Å
145Y79.1Confident80.5Confident32 Ų3266 Ų6613%0.12537%0.368CS..  trans-117.2-7.6-175.168.3-82000112.7P68 I69 W139 P141 N143 N159P68-Y145 WeakPolarHBondContact CB-O 3.49Å; I69-Y145 HydrophobicContact CD1-CE2 4.36Å; I69-Y145 HydrophobicContact CG1-CD2 4.05Å; I69-Y145 HydrophobicContact CG1-CE2 3.74Å; W139-Y145 HydrophobicContact CH2-CD2 4.19Å; W139-Y145 HydrophobicContact CH2-CE1 4.36Å; W139-Y145 AromaticContact CH2-CE2 3.37Å; W139-Y145 HydrophobicContact CH2-CE2 3.37Å; W139-Y145 AromaticContact CH2-CZ 3.47Å; W139-Y145 VanDerWaalsContact CH2-CZ 3.47Å; W139-Y145 WeakPolarHBondContact CH2-OH 3.34Å; W139-Y145 HydrophobicContact CZ2-CE2 4.07Å; W139-Y145 AromaticContact CZ2-CZ 3.77Å; W139-Y145 VanDerWaalsContact CZ2-OH 3.24Å; W139-Y145 WeakPolarHBondContact CZ2-OH 3.29Å; W139-Y145 HydrophobicContact CZ3-CE2 4.17Å; P141-Y145 HydrophobicContact CB-CD1 3.8Å; P141-Y145 HydrophobicContact CB-CE1 4.49Å; P141-Y145 HydrophobicContact CB-CG 4.24Å; P141-Y145 VanDerWaalsContact CD-CE1 3.45Å; P141-Y145 HydrophobicContact CG-CD1 3.42Å; P141-Y145 VanDerWaalsContact CG-CD1 3.42Å; P141-Y145 HydrophobicContact CG-CD2 4.29Å; P141-Y145 HydrophobicContact CG-CE1 3.86Å; P141-Y145 HydrophobicContact CG-CG 3.68Å; N143-Y145 PolarHBondContact O-N 3.44Å; Y145-N159 PolarHBondContact OH-OD1 3.05Å
146L81.8Confident80.3Confident14 Ų1466.4 Ų66.47%0.07337%0.368CS..SBendtrans-100.3154.1-178.4-67.8173.6000110.4V65 T150 K155 L158V65-L146 HydrophobicContact CG1-CD2 4.02Å; L146-T150 HydrophobicContact CB-CG2 4.49Å; L146-T150 HydrophobicContact CD1-CG2 4.23Å; L146-K155 HydrophobicContact CD1-CB 4.16Å; L146-K155 HydrophobicContact CD1-CG 3.77Å; L146-L158 HydrophobicContact CD1-CD1 3.88Å; L146-L158 HydrophobicContact CD2-CD1 3.92Å
147P80Confident79.7Confident44 Ų4468.8 Ų68.829%0.28638%0.379SS..  trans-54.7144.6171.9-25.133.1000111.8L149 T150P147-L149 PolarHBondContact O-N 2.82Å; P147-L149 VanDerWaalsContact O-N 3.13Å; P147-T150 VanDerWaalsContact CD-OG1 3.32Å; P147-T150 WeakPolarHBondContact CD-OG1 3.47Å; P147-T150 WeakPolarHBondContact O-CB 3.46Å; P147-T150 PolarHBondContact O-N 2.99Å; P147-T150 PolarHBondContact O-OG1 3.18Å
148P79.3Confident79.4Confident113 Ų11366.4 Ų66.473%0.73436%0.362SS*.THydrogen-bonded Turntrans-52.8-39.7-177.1-28.934.7000113.7T150P148-T150 VanDerWaalsContact C-N 3.27Å; P148-T150 PolarHBondContact O-N 3.28Å
149L79.8Confident79.4Confident167 Ų16769.1 Ų69.187%0.87438%0.376SS*.THydrogen-bonded Turntrans-84.413.3-178.3-60.9176.6000114.3P147 P151P147-L149 PolarHBondContact O-N 2.82Å; P147-L149 VanDerWaalsContact O-N 3.13Å; L149-P151 WeakPolarHBondContact O-CD 3.04Å
150T79.8Confident79.1Confident14 Ų1474.5 Ų74.59%0.08641%0.406CS..  trans-67.8123.9176.7-54.50000109.5L146 P147 P148 V154 K155L146-T150 HydrophobicContact CB-CG2 4.49Å; L146-T150 HydrophobicContact CD1-CG2 4.23Å; P147-T150 VanDerWaalsContact CD-OG1 3.32Å; P147-T150 WeakPolarHBondContact CD-OG1 3.47Å; P147-T150 WeakPolarHBondContact O-CB 3.46Å; P147-T150 PolarHBondContact O-N 2.99Å; P147-T150 PolarHBondContact O-OG1 3.18Å; P148-T150 VanDerWaalsContact C-N 3.27Å; P148-T150 PolarHBondContact O-N 3.28Å; T150-V154 HydrophobicContact CG2-CB 3.99Å; T150-V154 HydrophobicContact CG2-CG1 3.87Å; T150-K155 HydrophobicContact CG2-CG 3.86Å; T150-K155 VanDerWaalsContact O-CE 3.23Å; T150-K155 WeakPolarHBondContact O-CE 3.03Å
151P79.1Confident78.7Confident78 Ų7873.5 Ų73.551%0.50640%0.397SS..  trans-56141.3179.7-25.834.1000112L149 S153 V154 K155L149-P151 WeakPolarHBondContact O-CD 3.04Å; P151-S153 PolarHBondContact O-N 3.33Å; P151-V154 HydrophobicContact CB-CG2 4.28Å; P151-V154 HydrophobicContact CG-CG2 4.46Å; P151-V154 WeakPolarHBondContact O-CB 3.49Å; P151-V154 PolarHBondContact O-N 3.38Å; P151-K155 PolarHBondContact O-N 3.15Å
152Q82.3Confident78.4Confident128 Ų12879.4 Ų79.460%0.59842%0.422SS*.Hα-helixtrans-59.1-35.3-175.8-17160.125.900112.6V154 K155 T156Q152-V154 VanDerWaalsContact C-N 3.3Å; Q152-V154 PolarHBondContact O-N 3.06Å; Q152-K155 PolarHBondContact O-N 3.39Å; Q152-T156 WeakPolarHBondContact O-CB 3.46Å; Q152-T156 PolarHBondContact O-N 2.85Å; Q152-T156 PolarHBondContact O-OG1 2.94Å; Q152-T156 VanDerWaalsContact O-OG1 3.13Å
153S77.8Confident78.2Confident89 Ų8973.4 Ų73.462%0.62240%0.396SS*.Hα-helixtrans-59.1-40174.954.60000112.6P151 L157P151-S153 PolarHBondContact O-N 3.33Å; S153-L157 WeakPolarHBondContact O-CB 3.23Å; S153-L157 PolarHBondContact O-N 3.16Å
154V74Confident78.4Confident39 Ų3967.8 Ų67.824%0.23637%0.366CS..Hα-helixtrans-70.6-42.8175.9178.50000110.4T150 P151 Q152 L157 L158T150-V154 HydrophobicContact CG2-CB 3.99Å; T150-V154 HydrophobicContact CG2-CG1 3.87Å; P151-V154 HydrophobicContact CB-CG2 4.28Å; P151-V154 HydrophobicContact CG-CG2 4.46Å; P151-V154 WeakPolarHBondContact O-CB 3.49Å; P151-V154 PolarHBondContact O-N 3.38Å; Q152-V154 VanDerWaalsContact C-N 3.3Å; Q152-V154 PolarHBondContact O-N 3.06Å; V154-L157 PolarHBondContact O-N 2.96Å; V154-L158 HydrophobicContact CG1-CD1 3.8Å; V154-L158 HydrophobicContact CG1-CG 4.29Å; V154-L158 WeakPolarHBondContact O-CB 3.5Å; V154-L158 WeakPolarHBondContact O-CG 3.46Å; V154-L158 PolarHBondContact O-N 3.28Å
155K79.7Confident78.9Confident30 Ų3062 Ų6213%0.1334%0.34CS..Hα-helixtrans-58.7-50.1175.5-61.9-165.5180-176.90111.1E144 L146 T150 P151 Q152 L158 N159E144-K155 IonicContact OE1-NZ 3.81Å; E144-K155 PolarHBondContact OE1-NZ 3.02Å; L146-K155 HydrophobicContact CD1-CB 4.16Å; L146-K155 HydrophobicContact CD1-CG 3.77Å; T150-K155 HydrophobicContact CG2-CG 3.86Å; T150-K155 VanDerWaalsContact O-CE 3.23Å; T150-K155 WeakPolarHBondContact O-CE 3.03Å; P151-K155 PolarHBondContact O-N 3.15Å; Q152-K155 PolarHBondContact O-N 3.39Å; K155-L158 PolarHBondContact O-N 3.21Å; K155-N159 WeakPolarHBondContact O-CB 3.39Å; K155-N159 VanDerWaalsContact O-CG 3.25Å; K155-N159 PolarHBondContact O-N 3.28Å
156T80.9Confident79.3Confident61 Ų6161.7 Ų61.737%0.37434%0.342SS..Hα-helixtrans-62.1-45.1179.4-63.80000111.7Q152 L158 N159 N160Q152-T156 WeakPolarHBondContact O-CB 3.46Å; Q152-T156 PolarHBondContact O-N 2.85Å; Q152-T156 PolarHBondContact O-OG1 2.94Å; Q152-T156 VanDerWaalsContact O-OG1 3.13Å; T156-L158 PolarHBondContact O-N 2.79Å; T156-N159 PolarHBondContact O-N 3.24Å; T156-N160 WeakPolarHBondContact CG2-ND2 3.41Å; T156-N160 WeakPolarHBondContact O-CB 3.25Å; T156-N160 PolarHBondContact O-N 3.47Å; T156-N160 PolarHBondContact O-ND2 3.03Å
157L74.9Confident79.6Confident75 Ų7562 Ų6239%0.39335%0.346SS..Hα-helixtrans-56.4-51.8174.6179.461000110.2A16 S153 V154 N159 N160 L161A16-L157 HydrophobicContact CB-CD2 3.74Å; A16-L157 HydrophobicContact CB-CG 4.26Å; A16-L157 WeakPolarHBondContact O-CD2 3.49Å; S153-L157 WeakPolarHBondContact O-CB 3.23Å; S153-L157 PolarHBondContact O-N 3.16Å; V154-L157 PolarHBondContact O-N 2.96Å; L157-N159 PolarHBondContact O-N 3.13Å; L157-N160 PolarHBondContact O-N 3.17Å; L157-L161 HydrophobicContact CG-CD1 4.26Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 VanDerWaalsContact O-CD1 3.3Å; L157-L161 WeakPolarHBondContact O-CD1 3.47Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å
158L76.6Confident79.8Confident10 Ų1062.1 Ų62.15%0.05235%0.348CS..Hα-helixtrans-63.5-35.7-179.9-69.3172.2000113.8V65 I69 W139 L146 V154 K155 T156 L161V65-L158 HydrophobicContact CG1-CD1 3.5Å; V65-L158 VanDerWaalsContact CG1-CD1 3.5Å; I69-L158 HydrophobicContact CD1-CD1 4.2Å; I69-L158 HydrophobicContact CD1-CD2 4.06Å; W139-L158 HydrophobicContact CZ2-CB 4.48Å; W139-L158 WeakPolarHBondContact CZ2-O 3.46Å; W139-L158 PolarHBondContact NE1-O 2.89Å; L146-L158 HydrophobicContact CD1-CD1 3.88Å; L146-L158 HydrophobicContact CD2-CD1 3.92Å; V154-L158 HydrophobicContact CG1-CD1 3.8Å; V154-L158 HydrophobicContact CG1-CG 4.29Å; V154-L158 WeakPolarHBondContact O-CB 3.5Å; V154-L158 WeakPolarHBondContact O-CG 3.46Å; V154-L158 PolarHBondContact O-N 3.28Å; K155-L158 PolarHBondContact O-N 3.21Å; T156-L158 PolarHBondContact O-N 2.79Å; L158-L161 HydrophobicContact CD2-CD1 4.05Å; L158-L161 VanDerWaalsContact O-CB 3.29Å; L158-L161 WeakPolarHBondContact O-CB 3.23Å
159N80.6Confident79.8Confident58 Ų5859 Ų5931%0.3133%0.326SS..Hα-helixtrans-74.3-35.9-179.8-72.2-9000112.7P140 Y145 K155 T156 L157 L161P140-N159 HydrophobicContact CB-CB 4.24Å; P140-N159 HydrophobicContact CG-CB 4.33Å; Y145-N159 PolarHBondContact OH-OD1 3.05Å; K155-N159 WeakPolarHBondContact O-CB 3.39Å; K155-N159 VanDerWaalsContact O-CG 3.25Å; K155-N159 PolarHBondContact O-N 3.28Å; T156-N159 PolarHBondContact O-N 3.24Å; L157-N159 PolarHBondContact O-N 3.13Å; N159-L161 PolarHBondContact O-N 3.28Å
160N78.3Confident79.7Confident133 Ų13356.4 Ų56.471%0.71132%0.323SS*.THydrogen-bonded Turntrans-771.2179.8-71.2-22.3000114T156 L157 K162T156-N160 WeakPolarHBondContact CG2-ND2 3.41Å; T156-N160 WeakPolarHBondContact O-CB 3.25Å; T156-N160 PolarHBondContact O-N 3.47Å; T156-N160 PolarHBondContact O-ND2 3.03Å; L157-N160 PolarHBondContact O-N 3.17Å; N160-K162 PolarHBondContact O-N 2.89Å
161L72.3Confident79.6Confident34 Ų3457.5 Ų57.518%0.17833%0.333CS..  trans-93.3107.9-164.8-106.2177.5000109F12 A16 W139 L157 L158 N159 L163F12-L161 HydrophobicContact CD1-CD1 4.39Å; F12-L161 HydrophobicContact CD2-CB 4.33Å; F12-L161 HydrophobicContact CD2-CD1 4.03Å; F12-L161 HydrophobicContact CD2-CD2 3.37Å; F12-L161 HydrophobicContact CD2-CG 3.98Å; F12-L161 HydrophobicContact CE1-CD1 3.57Å; F12-L161 HydrophobicContact CE1-CG 4.38Å; F12-L161 HydrophobicContact CE2-CB 3.13Å; F12-L161 HydrophobicContact CE2-CD1 3.27Å; F12-L161 HydrophobicContact CE2-CD2 3.01Å; F12-L161 HydrophobicContact CE2-CG 3.13Å; F12-L161 HydrophobicContact CG-CD2 4.43Å; F12-L161 HydrophobicContact CZ-CB 3.26Å; F12-L161 HydrophobicContact CZ-CD1 2.96Å; F12-L161 HydrophobicContact CZ-CD2 3.78Å; F12-L161 HydrophobicContact CZ-CG 3.36Å; A16-L161 HydrophobicContact CB-CD1 4.34Å; W139-L161 PolarHBondContact NE1-O 2.84Å; L157-L161 HydrophobicContact CG-CD1 4.26Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 VanDerWaalsContact O-CD1 3.3Å; L157-L161 WeakPolarHBondContact O-CD1 3.47Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L158-L161 HydrophobicContact CD2-CD1 4.05Å; L158-L161 VanDerWaalsContact O-CB 3.29Å; L158-L161 WeakPolarHBondContact O-CB 3.23Å; N159-L161 PolarHBondContact O-N 3.28Å; L161-L163 PolarHBondContact O-N 2.97Å
162K75.3Confident79.7Confident140 Ų14058.8 Ų58.861%0.60933%0.33SS*.  trans-75.490.7-179-161.7176.2-165.7-173.70111.5N160 N165 T178N160-K162 PolarHBondContact O-N 2.89Å; K162-N165 WeakPolarHBondContact CE-OD1 3.43Å; K162-N165 PolarHBondContact NZ-OD1 3Å; K162-N165 VanDerWaalsContact NZ-OD1 3.07Å; K162-T178 PolarHBondContact O-OG1 3.34Å
163L75Confident80Confident7 Ų752.7 Ų52.74%0.03730%0.302CS..  trans-81.2-35179.4-77.1173.2000113F12 Y73 W139 L161 T178F12-L163 HydrophobicContact CB-CD2 4.46Å; F12-L163 HydrophobicContact CD1-CD2 3.62Å; F12-L163 HydrophobicContact CD2-CD2 3.54Å; F12-L163 HydrophobicContact CD2-CG 4.29Å; F12-L163 HydrophobicContact CE1-CD1 3.97Å; F12-L163 HydrophobicContact CE1-CD2 3.54Å; F12-L163 HydrophobicContact CE1-CG 4.04Å; F12-L163 HydrophobicContact CE2-CD1 4.24Å; F12-L163 HydrophobicContact CE2-CD2 3.25Å; F12-L163 HydrophobicContact CE2-CG 3.51Å; F12-L163 HydrophobicContact CG-CD2 3.66Å; F12-L163 HydrophobicContact CZ-CD1 3.58Å; F12-L163 HydrophobicContact CZ-CD2 3.28Å; F12-L163 HydrophobicContact CZ-CG 3.39Å; Y73-L163 HydrophobicContact CE2-CD1 4.09Å; Y73-L163 WeakPolarHBondContact OH-CB 3.4Å; Y73-L163 WeakPolarHBondContact OH-CD1 3.3Å; W139-L163 HydrophobicContact CD2-CD1 4.02Å; W139-L163 HydrophobicContact CE3-CD1 4.4Å; W139-L163 HydrophobicContact CG-CD1 4.39Å; W139-L163 HydrophobicContact CZ2-CD1 4.3Å; L161-L163 PolarHBondContact O-N 2.97Å; L163-T178 PolarHBondContact O-N 2.03Å
164L83.3Confident80.6Confident13 Ų1351.2 Ų51.27%0.06828%0.283CS..EExtended strand (participates in β ladder)trans-129.6146-170.5-75.4170.9000110.5F6 Y73 A138 C175 C176F6-L164 HydrophobicContact CE1-CD1 4.49Å; F6-L164 HydrophobicContact CE2-CD1 4.21Å; F6-L164 HydrophobicContact CE2-CD2 3.27Å; F6-L164 HydrophobicContact CE2-CG 4.13Å; F6-L164 HydrophobicContact CZ-CD1 3.8Å; F6-L164 HydrophobicContact CZ-CD2 3.27Å; F6-L164 HydrophobicContact CZ-CG 3.66Å; Y73-L164 HydrophobicContact CE1-CD1 3.73Å; A138-L164 HydrophobicContact CB-CD1 3.88Å; L164-C175 HydrophobicContact CB-CB 4.48Å; L164-C175 HydrophobicContact CD1-CB 4.27Å; L164-C175 HydrophobicContact CD2-CB 3.94Å; L164-C175 HydrophobicContact CG-CB 4.48Å; L164-C176 WeakPolarHBondContact CA-O 3.29Å; L164-C176 WeakPolarHBondContact CD2-O 3.17Å
165N87Confident81.3Confident24 Ų2449.4 Ų49.413%0.12827%0.272CS..EExtended strand (participates in β ladder)trans-107.8123157.4-63-58.7000107.3K162 C175 C176 Y180 K181 P182K162-N165 WeakPolarHBondContact CE-OD1 3.43Å; K162-N165 PolarHBondContact NZ-OD1 3Å; K162-N165 VanDerWaalsContact NZ-OD1 3.07Å; N165-C175 WeakPolarHBondContact O-CA 3.49Å; N165-C176 PolarHBondContact N-O 3.46Å; N165-C176 PolarHBondContact O-N 3.44Å; N165-Y180 WeakPolarHBondContact CB-O 2.99Å; N165-Y180 PolarHBondContact ND2-O 2.94Å; N165-K181 HydrophobicContact CB-CB 4.2Å; N165-K181 HydrophobicContact CB-CG 4.18Å; N165-P182 VanDerWaalsContact O-CD 3.28Å; N165-P182 WeakPolarHBondContact O-CD 3.48Å
166C87.5Confident81.7Confident25 Ų2548 Ų4817%0.16927%0.266CS..EExtended strand (participates in β ladder)trans-115156.1179.9-55.70000111.1C136 Y174 C175C136-C166 HydrophobicContact CB-CB 3.85Å; C166-Y174 CarbonylContact C-O 3.54Å; C166-Y174 WeakPolarHBondContact CA-O 3.06Å; C166-C175 HydrophobicContact CB-CB 4.13Å; C166-C175 WeakPolarHBondContact CB-SG 3.36Å; C166-C175 WeakPolarHBondContact SG-CB 3.2Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.47Å
167A87.4Confident81.9Confident19 Ų1945.2 Ų45.216%0.15725%0.249CC..EExtended strand (participates in β ladder)trans-137.8143.3172.500000109Y174 P182A167-Y174 PolarHBondContact N-O 2.04Å; A167-Y174 PolarHBondContact O-N 3.09Å; A167-P182 HydrophobicContact CB-CB 4.21Å; A167-P182 HydrophobicContact CB-CG 4.22Å
168S84.1Confident82.2Confident48 Ų4843.1 Ų43.134%0.33624%0.239SC..EExtended strand (participates in β ladder)trans-83.4129.3171.6-175.90000109.2C136 K172C136-S168 WeakPolarHBondContact SG-CA 3.05Å; C136-S168 VanDerWaalsContact SG-CB 3.55Å; S168-K172 WeakPolarHBondContact CA-O 3.04Å
169V80.1Confident82.5Confident46 Ų4645.2 Ų45.228%0.27925%0.254SS..EExtended strand (participates in β ladder)trans-131.1112.5169.6-177.30000106.6A171 K172 Y174V169-A171 PolarHBondContact O-N 3.2Å; V169-K172 PolarHBondContact N-O 3.26Å; V169-K172 WeakPolarHBondContact O-CB 3.31Å; V169-K172 PolarHBondContact O-N 2.81Å; V169-Y174 HydrophobicContact CB-CD2 3.81Å; V169-Y174 HydrophobicContact CB-CE2 3.81Å; V169-Y174 HydrophobicContact CG2-CD2 3.97Å; V169-Y174 HydrophobicContact CG2-CE2 4.42Å
170S77.9Confident82.8Confident114 Ų11443.3 Ų43.380%0.79724%0.242SC*.THydrogen-bonded Turntrans51.651.4-178.3-54.50000113.5K172S170-K172 PolarHBondContact O-N 2.97Å; S170-K172 VanDerWaalsContact O-N 3.09Å
171A76.8Confident83.3Confident36 Ų3641.6 Ų41.630%0.29823%0.228SC..THydrogen-bonded Turntrans63.92.6-176.600000116.3E125 Y129 V169E125-A171 VanDerWaalsContact CD-O 3.31Å; Y129-A171 HydrophobicContact CE1-CB 4.02Å; V169-A171 PolarHBondContact O-N 3.2Å
172K82.5Confident84.1Confident105 Ų10540.2 Ų40.246%0.45722%0.221SC..EExtended strand (participates in β ladder)trans-99.1138.1173.8-74.7171.3-176.1-1780111.3E125 S168 V169 S170 Y174E125-K172 HydrophobicContact CG-CG 4.45Å; E125-K172 WeakPolarHBondContact OE1-CG 2.9Å; S168-K172 WeakPolarHBondContact CA-O 3.04Å; V169-K172 PolarHBondContact N-O 3.26Å; V169-K172 WeakPolarHBondContact O-CB 3.31Å; V169-K172 PolarHBondContact O-N 2.81Å; S170-K172 PolarHBondContact O-N 2.97Å; S170-K172 VanDerWaalsContact O-N 3.09Å; K172-Y174 HydrophobicContact CB-CD2 4.36Å; K172-Y174 HydrophobicContact CB-CE2 3.62Å; K172-Y174 WeakPolarHBondContact O-CD2 3.48Å
173C88.4Confident84.6Confident0 Ų035.5 Ų35.50%020%0.203CC..EExtended strand (participates in β ladder)trans-90122.6175.9-65.10000111.6A122 I123 S128 C136A122-C173 WeakPolarHBondContact CA-O 3.03Å; I123-C173 PolarHBondContact N-O 3.19Å; S128-C173 PolarHBondContact O-SG 2.96Å; S128-C173 VanDerWaalsContact OG-CB 3.3Å; S128-C173 WeakPolarHBondContact OG-CB 3.11Å; C136-C173 WeakPolarHBondContact CA-SG 3.32Å; C136-C173 HydrophobicContact CB-CB 3.79Å; C136-C173 WeakPolarHBondContact CB-SG 3.42Å; C136-C173 WeakPolarHBondContact SG-CA 3.35Å; C136-C173 WeakPolarHBondContact SG-CB 3.33Å; C136-C173 CovalentContact SG-SG 2.04Å; C136-C173 PolarHBondContact SG-SG 2.94Å
174Y89.6Confident84.9Confident59 Ų5938.9 Ų38.923%0.23123%0.225CC..EExtended strand (participates in β ladder)trans-110.2135171.8-66.1-90.1000108.7A120 C121 A122 C166 A167 V169 K172 P182A120-Y174 HydrophobicContact CB-CD1 4.44Å; C121-Y174 CarbonylContact O-C 3.45Å; C121-Y174 VanDerWaalsContact O-CA 3.31Å; C121-Y174 WeakPolarHBondContact O-CA 3.32Å; A122-Y174 HydrophobicContact CB-CD1 4.05Å; A122-Y174 HydrophobicContact CB-CE1 3.79Å; C166-Y174 CarbonylContact C-O 3.54Å; C166-Y174 WeakPolarHBondContact CA-O 3.06Å; A167-Y174 PolarHBondContact N-O 2.04Å; A167-Y174 PolarHBondContact O-N 3.09Å; V169-Y174 HydrophobicContact CB-CD2 3.81Å; V169-Y174 HydrophobicContact CB-CE2 3.81Å; V169-Y174 HydrophobicContact CG2-CD2 3.97Å; V169-Y174 HydrophobicContact CG2-CE2 4.42Å; K172-Y174 HydrophobicContact CB-CD2 4.36Å; K172-Y174 HydrophobicContact CB-CE2 3.62Å; K172-Y174 WeakPolarHBondContact O-CD2 3.48Å; Y174-P182 WeakPolarHBondContact O-CG 3.39Å
175C89.4Confident84.9Confident0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-131.6143.4-173-60.30000112.2C121 I123 L164 N165 C166C121-C175 PolarHBondContact N-O 2.94Å; C121-C175 PolarHBondContact O-N 2.85Å; I123-C175 HydrophobicContact CG1-CB 4.03Å; I123-C175 VanDerWaalsContact CG1-SG 3.5Å; L164-C175 HydrophobicContact CB-CB 4.48Å; L164-C175 HydrophobicContact CD1-CB 4.27Å; L164-C175 HydrophobicContact CD2-CB 3.94Å; L164-C175 HydrophobicContact CG-CB 4.48Å; N165-C175 WeakPolarHBondContact O-CA 3.49Å; C166-C175 HydrophobicContact CB-CB 4.13Å; C166-C175 WeakPolarHBondContact CB-SG 3.36Å; C166-C175 WeakPolarHBondContact SG-CB 3.2Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.47Å
176C88.6Confident84.8Confident0 Ų052 Ų520%028%0.281CS..EExtended strand (participates in β ladder)trans-124.7146.6170.7-63.40000109.7G84 L164 N165 T178 P182 C189G84-C176 CarbonylContact O-C 3.48Å; L164-C176 WeakPolarHBondContact CA-O 3.29Å; L164-C176 WeakPolarHBondContact CD2-O 3.17Å; N165-C176 PolarHBondContact N-O 3.46Å; N165-C176 PolarHBondContact O-N 3.44Å; C176-T178 PolarHBondContact O-N 2.77Å; C176-P182 HydrophobicContact CB-CG 4.43Å; C176-C189 HydrophobicContact CB-CB 3.79Å; C176-C189 WeakPolarHBondContact CB-SG 3.24Å; C176-C189 WeakPolarHBondContact SG-CA 3.35Å; C176-C189 WeakPolarHBondContact SG-CB 3.42Å; C176-C189 CovalentContact SG-SG 2.03Å; C176-C189 PolarHBondContact SG-SG 2.83Å
177C84.9Confident84.6Confident4 Ų452.5 Ų52.53%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-61.5134.3171.7-84.40000110.4G84 M85 C86 Y180G84-C177 WeakPolarHBondContact O-CB 3.31Å; G84-C177 PolarHBondContact O-N 2.78Å; M85-C177 WeakPolarHBondContact O-CB 3.44Å; C86-C177 VanDerWaalsContact CA-SG 3.51Å; C86-C177 HydrophobicContact CB-CB 4.16Å; C86-C177 WeakPolarHBondContact CB-SG 3.45Å; C86-C177 WeakPolarHBondContact SG-CB 3.21Å; C86-C177 CovalentContact SG-SG 2.02Å; C86-C177 PolarHBondContact SG-SG 3.41Å; C177-Y180 WeakPolarHBondContact O-CB 3.33Å; C177-Y180 WeakPolarHBondContact O-CD2 3.26Å; C177-Y180 PolarHBondContact O-N 3.15Å
178T81Confident84.8Confident30 Ų3055.9 Ų55.918%0.18430%0.298CS..THydrogen-bonded Turntrans-55.2139.1173.6-59.50000110.3K9 K162 L163 C176K9-T178 WeakPolarHBondContact CE-O 3.46Å; K9-T178 PolarHBondContact NZ-O 2.82Å; K162-T178 PolarHBondContact O-OG1 3.34Å; L163-T178 PolarHBondContact O-N 2.03Å; C176-T178 PolarHBondContact O-N 2.77Å
179P81.6Confident85.1Confident54 Ų5454 Ų5435%0.35129%0.285SS..THydrogen-bonded Turncis-88.34.57.837.3-36.9000114.8I191P179-I191 HydrophobicContact CG-CD1 4.05Å; P179-I191 HydrophobicContact CG-CG1 4.36Å
180Y87.6Confident85.5Confident19 Ų1954.7 Ų54.78%0.07529%0.289CS..EExtended strand (participates in β ladder)trans-73.1149.3-179.2-56.4-91.4000110.9M85 F111 N165 C177 C189 V190 I191M85-Y180 HydrophobicContact CB-CD2 3.73Å; M85-Y180 HydrophobicContact CB-CE2 4.01Å; M85-Y180 HydrophobicContact CB-CG 4.08Å; M85-Y180 HydrophobicContact CG-CD1 4.27Å; M85-Y180 HydrophobicContact CG-CD2 4.28Å; M85-Y180 HydrophobicContact CG-CE1 4.44Å; M85-Y180 HydrophobicContact CG-CE2 4.49Å; M85-Y180 HydrophobicContact CG-CG 4.2Å; F111-Y180 HydrophobicContact CE2-CE2 4.35Å; F111-Y180 WeakPolarHBondContact CE2-OH 3.48Å; F111-Y180 AromaticContact CZ-CE2 3.74Å; F111-Y180 HydrophobicContact CZ-CE2 3.74Å; N165-Y180 WeakPolarHBondContact CB-O 2.99Å; N165-Y180 PolarHBondContact ND2-O 2.94Å; C177-Y180 WeakPolarHBondContact O-CB 3.33Å; C177-Y180 WeakPolarHBondContact O-CD2 3.26Å; C177-Y180 PolarHBondContact O-N 3.15Å; Y180-C189 HydrophobicContact CG-CB 4.49Å; Y180-V190 CarbonylContact C-O 3.57Å; Y180-V190 VanDerWaalsContact CA-O 3.29Å; Y180-V190 WeakPolarHBondContact CA-O 3.34Å; Y180-I191 HydrophobicContact CD1-CB 4.12Å; Y180-I191 HydrophobicContact CE1-CB 4.11Å
181K88.2Confident85.8Confident96 Ų9653.4 Ų53.442%0.41727%0.272SS..EExtended strand (participates in β ladder)trans-125.9145.7173.5-171.5177.6178.2-176.50108.6N165 D183 V190N165-K181 HydrophobicContact CB-CB 4.2Å; N165-K181 HydrophobicContact CB-CG 4.18Å; K181-D183 PolarHBondContact O-N 3.03Å; K181-V190 PolarHBondContact N-O 3.22Å; K181-V190 WeakPolarHBondContact O-CG2 3.42Å; K181-V190 PolarHBondContact O-N 2.79Å
182P89.1Confident85.2Confident5 Ų555.5 Ų55.53%0.03228%0.281CS..EExtended strand (participates in β ladder)trans-60.3130169.9-17.426.8000110.3A120 N165 A167 Y174 C176A120-P182 HydrophobicContact CB-CB 3.86Å; A120-P182 HydrophobicContact CB-CG 4.04Å; N165-P182 VanDerWaalsContact O-CD 3.28Å; N165-P182 WeakPolarHBondContact O-CD 3.48Å; A167-P182 HydrophobicContact CB-CB 4.21Å; A167-P182 HydrophobicContact CB-CG 4.22Å; Y174-P182 WeakPolarHBondContact O-CG 3.39Å; C176-P182 HydrophobicContact CB-CG 4.43Å
183D86.2Confident83.7Confident42 Ų4255.9 Ų55.923%0.22530%0.295CS..  trans-76125162.3178.7-80.9000108.5K181 W185 T186 A187 K188 V190K181-D183 PolarHBondContact O-N 3.03Å; D183-W185 PolarHBondContact O-N 2.03Å; D183-W185 PolarHBondContact OD1-N 2.67Å; D183-T186 VanDerWaalsContact CB-OG1 3.31Å; D183-T186 WeakPolarHBondContact CB-OG1 3.45Å; D183-T186 VanDerWaalsContact CG-OG1 3.24Å; D183-T186 PolarHBondContact OD1-N 3.44Å; D183-T186 PolarHBondContact OD1-OG1 2.64Å; D183-A187 VanDerWaalsContact O-CA 3.22Å; D183-A187 WeakPolarHBondContact O-CA 3.22Å; D183-A187 PolarHBondContact O-N 2.77Å; D183-K188 WeakPolarHBondContact CB-O 3.22Å; D183-K188 PolarHBondContact N-O 3.29Å; D183-V190 HydrophobicContact CB-CG1 4.23Å; D183-V190 HydrophobicContact CB-CG2 4.04Å
184P81.8Confident81.7Confident77 Ų7758.6 Ų58.650%0.531%0.313SS..THydrogen-bonded Turntrans-69.3-20.3-172.127-34.1000113.7
185W83Confident79.5Confident238 Ų23862.2 Ų62.290%0.90234%0.343SS*.THydrogen-bonded Turntrans-92.9-40.6-176.5-59.5104.2000112.1D183D183-W185 PolarHBondContact O-N 2.03Å; D183-W185 PolarHBondContact OD1-N 2.67Å
186T85.4Confident77Confident75 Ų7568.1 Ų68.146%0.4638%0.38SS..THydrogen-bonded Turntrans-100-11.5-174.862.10000113.2D183 K188D183-T186 VanDerWaalsContact CB-OG1 3.31Å; D183-T186 WeakPolarHBondContact CB-OG1 3.45Å; D183-T186 VanDerWaalsContact CG-OG1 3.24Å; D183-T186 PolarHBondContact OD1-N 3.44Å; D183-T186 PolarHBondContact OD1-OG1 2.64Å; T186-K188 PolarHBondContact O-N 2.86Å; T186-K188 VanDerWaalsContact O-N 3.11Å; T186-K188 PolarHBondContact OG1-N 3.35Å
187A84.2Confident74.6Confident35 Ų3570.5 Ų70.529%0.28940%0.396SS..  trans5324.4-169.500000113.2A120 D183A120-A187 WeakPolarHBondContact CB-O 3.49Å; A120-A187 PolarHBondContact N-O 3.44Å; D183-A187 VanDerWaalsContact O-CA 3.22Å; D183-A187 WeakPolarHBondContact O-CA 3.22Å; D183-A187 PolarHBondContact O-N 2.77Å
188K90.6Very high72.1Confident90 Ų9075.4 Ų75.439%0.39143%0.426SS..BIsolated β-bridgetrans-96.6146.8176.3-68.7-175.1179.1-179.40111.3S118 Y119 D183 T186 V190S118-K188 CarbonylContact O-C 3.57Å; S118-K188 VanDerWaalsContact O-CA 3.24Å; S118-K188 WeakPolarHBondContact O-CA 3.33Å; Y119-K188 HydrophobicContact CD1-CG 4.36Å; Y119-K188 HydrophobicContact CE1-CG 4.4Å; D183-K188 WeakPolarHBondContact CB-O 3.22Å; D183-K188 PolarHBondContact N-O 3.29Å; T186-K188 PolarHBondContact O-N 2.86Å; T186-K188 VanDerWaalsContact O-N 3.11Å; T186-K188 PolarHBondContact OG1-N 3.35Å; K188-V190 PolarHBondContact O-N 2.86Å
189C89.9Confident69.8Low9 Ų982.4 Ų82.46%0.06145%0.454CS..EExtended strand (participates in β ladder)trans-75.8109.3173.7-640000109.9G84 M85 S118 C176 Y180G84-C189 VanDerWaalsContact CA-SG 3.54Å; M85-C189 HydrophobicContact CB-CB 4.44Å; M85-C189 HydrophobicContact CG-CB 3.69Å; S118-C189 WeakPolarHBondContact O-CB 3.17Å; S118-C189 PolarHBondContact O-N 2.92Å; C176-C189 HydrophobicContact CB-CB 3.79Å; C176-C189 WeakPolarHBondContact CB-SG 3.24Å; C176-C189 WeakPolarHBondContact SG-CA 3.35Å; C176-C189 WeakPolarHBondContact SG-CB 3.42Å; C176-C189 CovalentContact SG-SG 2.03Å; C176-C189 PolarHBondContact SG-SG 2.83Å; Y180-C189 HydrophobicContact CG-CB 4.49Å
190V88.4Confident67.4Low61 Ų6185.8 Ų85.837%0.3747%0.469SS..EExtended strand (participates in β ladder)trans-112.5146.3177.6-64.50000109.7Y180 K181 D183 K188 T192Y180-V190 CarbonylContact C-O 3.57Å; Y180-V190 VanDerWaalsContact CA-O 3.29Å; Y180-V190 WeakPolarHBondContact CA-O 3.34Å; K181-V190 PolarHBondContact N-O 3.22Å; K181-V190 WeakPolarHBondContact O-CG2 3.42Å; K181-V190 PolarHBondContact O-N 2.79Å; D183-V190 HydrophobicContact CB-CG1 4.23Å; D183-V190 HydrophobicContact CB-CG2 4.04Å; K188-V190 PolarHBondContact O-N 2.86Å; V190-T192 PolarHBondContact O-N 2.82Å
191I83.9Confident65Low87 Ų8790.2 Ų90.245%0.44649%0.493SS..EExtended strand (participates in β ladder)trans-80109.7169.5-165.8167000107P179 Y180 P193P179-I191 HydrophobicContact CG-CD1 4.05Å; P179-I191 HydrophobicContact CG-CG1 4.36Å; Y180-I191 HydrophobicContact CD1-CB 4.12Å; Y180-I191 HydrophobicContact CE1-CB 4.11Å; I191-P193 WeakPolarHBondContact O-CD 3.48Å
192T64.6Low62.5Low79 Ų7988.2 Ų88.249%0.48549%0.489SS..  trans-63.7121.7170.6-47.40000106.9V190 C194V190-T192 PolarHBondContact O-N 2.82Å; T192-C194 PolarHBondContact O-N 3.01Å
193P52.3Low59.8Low114 Ų11494.3 Ų94.374%0.7452%0.515SS*.  trans-60.2111.1175.123.7-31.3000108I191 P195I191-P193 WeakPolarHBondContact O-CD 3.48Å; P193-P195 WeakPolarHBondContact O-CD 3.45Å
194C44.9Very low57.6Low56 Ų5697.6 Ų97.638%0.37853%0.532SS..  trans-73.8116.3178.6166.40000108.1T192 T196 C197T192-C194 PolarHBondContact O-N 3.01Å; C194-T196 PolarHBondContact O-N 3.36Å; C194-C197 HydrophobicContact CB-CB 3.48Å; C194-C197 VanDerWaalsContact CB-CB 3.48Å; C194-C197 WeakPolarHBondContact CB-SG 3.22Å; C194-C197 PolarHBondContact O-N 2.86Å; C194-C197 VanDerWaalsContact SG-CA 3.58Å; C194-C197 WeakPolarHBondContact SG-CB 3.47Å; C194-C197 PolarHBondContact SG-N 3.17Å; C194-C197 CovalentContact SG-SG 2.04Å; C194-C197 PolarHBondContact SG-SG 3.19Å
195P44.5Very low55.4Low135 Ų13597.1 Ų97.188%0.87752%0.523SS*.THydrogen-bonded Turntrans-59-31.3-176-25.535.5000113.1P193P193-P195 WeakPolarHBondContact O-CD 3.45Å
196T37.3Very low52.9Low125 Ų12594.6 Ų94.677%0.76751%0.513SS*.THydrogen-bonded Turntrans-106.18.1-176.645.40000113.9C194 T198C194-T196 PolarHBondContact O-N 3.36Å; T196-T198 PolarHBondContact O-N 3Å
197C38.1Very low50.4Low49 Ų49100.9 Ų100.933%0.33153%0.528SS..  trans-75.485.6176.1-75.40000109.3C194 K199C194-C197 HydrophobicContact CB-CB 3.48Å; C194-C197 VanDerWaalsContact CB-CB 3.48Å; C194-C197 WeakPolarHBondContact CB-SG 3.22Å; C194-C197 PolarHBondContact O-N 2.86Å; C194-C197 VanDerWaalsContact SG-CA 3.58Å; C194-C197 WeakPolarHBondContact SG-CB 3.47Å; C194-C197 PolarHBondContact SG-N 3.17Å; C194-C197 CovalentContact SG-SG 2.04Å; C194-C197 PolarHBondContact SG-SG 3.19Å; C197-K199 PolarHBondContact O-N 2.94Å
198T31.2Very low48Very low108 Ų108105.9 Ų105.966%0.66355%0.546SS*.  trans-35.4132.7167.341.60000110.2T196 N200 L201T196-T198 PolarHBondContact O-N 3Å; T198-N200 PolarHBondContact O-N 3.48Å; T198-L201 PolarHBondContact O-N 2.89Å
199K33.3Very low45Very low176 Ų176106.5 Ų106.577%0.76555%0.548SS*.THydrogen-bonded Turntrans-40.9-9-168.1-69.4173.8176.7172.70118.1C197 K203C197-K199 PolarHBondContact O-N 2.94Å; K199-K203 WeakPolarHBondContact O-CG 3.3Å
200N31.9Very low41.8Very low126 Ų126111.8 Ų111.867%0.67458%0.584SS**Hα-helixtrans-82.3-39.9-175.4-66.6-21.5000114.1T198 K203 L204T198-N200 PolarHBondContact O-N 3.48Å; N200-K203 PolarHBondContact O-N 3.38Å; N200-L204 PolarHBondContact O-N 3.18Å
201L36.6Very low38.8Very low112 Ų112114.6 Ų114.659%0.58660%0.596SS**Hα-helixtrans-73.9-34.5-178.8-96151000112.8T198T198-L201 PolarHBondContact O-N 2.89Å
202V35.6Very low35.9Very low53 Ų53120 Ų12032%0.32162%0.616SS.*Hα-helixtrans-71.4-34.6176.6-179.40000111.1H205 R206V202-H205 PolarHBondContact O-N 2.79Å; V202-R206 HydrophobicContact CG1-CG 3.76Å; V202-R206 VanDerWaalsContact O-CB 3.24Å; V202-R206 WeakPolarHBondContact O-CB 3.33Å; V202-R206 WeakPolarHBondContact O-CG 3.45Å; V202-R206 PolarHBondContact O-N 3.12Å
203K32.8Very low34Very low133 Ų133124.6 Ų124.658%0.57863%0.63SS**Hα-helixtrans-64.3-39.8177.1-89.1-178.7177.1179.10112.7K199 N200 H205 R207K199-K203 WeakPolarHBondContact O-CG 3.3Å; N200-K203 PolarHBondContact O-N 3.38Å; K203-H205 VanDerWaalsContact C-N 3.33Å; K203-H205 PolarHBondContact O-N 3.39Å; K203-R207 PolarHBondContact O-N 3.21Å
204L38.9Very low32.7Very low111 Ų111124.8 Ų124.858%0.58163%0.631SS**Hα-helixtrans-67.1-35.2-179.3-159.773.2000112.1N200N200-L204 PolarHBondContact O-N 3.18Å
205H35.5Very low31.9Very low68 Ų68131.7 Ų131.732%0.31566%0.655SS.*Hα-helixtrans-85.2-35.9176.6-86.6-68.2000114V202 K203 R207 H208V202-H205 PolarHBondContact O-N 2.79Å; K203-H205 VanDerWaalsContact C-N 3.33Å; K203-H205 PolarHBondContact O-N 3.39Å; H205-R207 VanDerWaalsContact C-N 3.34Å; H205-R207 PolarHBondContact O-N 3.34Å; H205-H208 PolarHBondContact O-N 2.95Å
206R31.3Very low31.1Very low184 Ų184136.8 Ų136.869%0.69466%0.656SS**Hα-helixtrans-66.6-31178.1-82.5-169.8-177.4-177.50.6113.2V202 H208 F209V202-R206 HydrophobicContact CG1-CG 3.76Å; V202-R206 VanDerWaalsContact O-CB 3.24Å; V202-R206 WeakPolarHBondContact O-CB 3.33Å; V202-R206 WeakPolarHBondContact O-CG 3.45Å; V202-R206 PolarHBondContact O-N 3.12Å; R206-H208 PolarHBondContact O-N 2.88Å; R206-H208 VanDerWaalsContact O-N 3.09Å; R206-F209 PolarHBondContact O-N 3.09Å
207R32Very low30.9Very low207 Ų207136.3 Ų136.378%0.78166%0.658SS**THydrogen-bonded Turntrans-60.2-20.4177.6-81.6-175.4178.6173.7-0.6113.9K203 H205K203-R207 PolarHBondContact O-N 3.21Å; H205-R207 VanDerWaalsContact C-N 3.34Å; H205-R207 PolarHBondContact O-N 3.34Å
208H35.4Very low31Very low141 Ų141145.3 Ų145.365%0.65370%0.7SS**THydrogen-bonded Turntrans-99.3-4.6176.9-73.6100.8000114.5H205 R206H205-H208 PolarHBondContact O-N 2.95Å; R206-H208 PolarHBondContact O-N 2.88Å; R206-H208 VanDerWaalsContact O-N 3.09Å
209F27.3Very low31Very low103 Ų103147.2 Ų147.245%0.45270%0.702SS.*  trans-115.521.3-173.7-89.7-82.3000114.3F111 R206 I211F111-F209 HydrophobicContact CD2-CE2 4.14Å; F111-F209 HydrophobicContact CD2-CZ 4.04Å; F111-F209 HydrophobicContact CE2-CE2 4.02Å; F111-F209 HydrophobicContact CE2-CZ 4.06Å; R206-F209 PolarHBondContact O-N 3.09Å; F209-I211 PolarHBondContact O-N 3.04Å
210C22.4Very low30.9Very low120 Ų120145.6 Ų145.681%0.81170%0.699SS**  trans-74.460.5160.6-71.20000110.2K212C210-K212 PolarHBondContact O-N 3.36Å
211I24.8Very low30.8Very low119 Ų119146.7 Ų146.761%0.6170%0.7SS**  trans-81.2100158.9-58.7179.4000104.8F209 F213F209-I211 PolarHBondContact O-N 3.04Å; I211-F213 PolarHBondContact O-N 3.4Å
212K23.6Very low30.5Very low200 Ų200148.8 Ų148.887%0.8771%0.707SS**  trans-60.699.6175.1-152.4179.4-170.3-1780106.7C210 P214C210-K212 PolarHBondContact O-N 3.36Å; K212-P214 WeakPolarHBondContact O-CD 2.95Å
213F23.8Very low30.2Very low177 Ų177154.8 Ų154.878%0.77673%0.731SS**PPolyproline II helixtrans-59.9123.4169.9-77.7-87.3000107.2I211 K215I211-F213 PolarHBondContact O-N 3.4Å; F213-K215 PolarHBondContact O-N 3.11Å; F213-K215 VanDerWaalsContact O-N 3.17Å
214P26Very low30Very low118 Ų118156.2 Ų156.277%0.76674%0.741SS**PPolyproline II helixtrans-59.2125.1173.422.7-29.2000107.5K212 R216K212-P214 WeakPolarHBondContact O-CD 2.95Å; P214-R216 PolarHBondContact O-N 3.08Å; P214-R216 VanDerWaalsContact O-N 3.08Å
215K28.3Very low29.3Very low201 Ų201159.4 Ų159.487%0.87475%0.753SS**PPolyproline II helixtrans-53.9118171-76.5-176.8173.9-176.90106.7F213 S217F213-K215 PolarHBondContact O-N 3.11Å; F213-K215 VanDerWaalsContact O-N 3.17Å; K215-S217 PolarHBondContact O-N 3.07Å
216R27.4Very low28.9Very low241 Ų241166.5 Ų166.591%0.90979%0.786SS**  trans-57.9111.5163.7-91.2179.2170.6175.7-4.7106.7P214 I218P214-R216 PolarHBondContact O-N 3.08Å; P214-R216 VanDerWaalsContact O-N 3.08Å; R216-I218 PolarHBondContact O-N 3.34Å
217S32.4Very low28.7Very low116 Ų116165 Ų16581%0.81179%0.794SS**  trans-59.4118.7159.810.60000107.1K215K215-S217 PolarHBondContact O-N 3.07Å
218I40.9Very low28.4Very low237 Ų237161.2 Ų161.2100%1.21580%0.795SS**  trans-79.40153.8-64.2171.2000105.7R216R216-I218 PolarHBondContact O-N 3.34Å

Retrieved 218 of 218 residues in 119 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).