A0A087XSN3_POEFO Loading...

Replication protein A3

AlphaFold DB (A0A3B3UIB6), UniProt , Accession A0A087XSN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 122 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
1M45.7Very low80.9Confident244 Ų24475.8 Ų75.8100%1.20243%0.426SS*.  0111.80-113.6165.6164.200105.9G3M1-G3 PolarHBondContact O-N 2.99Å
2A56.4Low82.3Confident74 Ų7469.5 Ų69.561%0.61239%0.39SS*.  trans-66.3130177.100000108.2D6A2-D6 HydrophobicContact CB-CB 3.87Å
3G75.1Confident83.6Confident34 Ų3464.4 Ų64.435%0.35136%0.361SS..  trans-67.5164.8175.700000110.5M1 L5 D6M1-G3 PolarHBondContact O-N 2.99Å; G3-L5 PolarHBondContact O-N 3.31Å; G3-D6 PolarHBondContact N-OD2 2.83Å; G3-D6 WeakPolarHBondContact O-CB 3.5Å; G3-D6 PolarHBondContact O-N 3.44Å
4I80.5Confident84.6Confident33 Ų3361 Ų6117%0.16934%0.344CS..G310 helixtrans-57.6-24.3176.1-159167.2000112.7D6 V7 K9 A24 G71 M72 S82I4-D6 VanDerWaalsContact C-N 3.27Å; I4-D6 PolarHBondContact O-N 2.82Å; I4-V7 WeakPolarHBondContact O-CG2 3.48Å; I4-K9 PolarHBondContact O-NZ 3.1Å; I4-A24 HydrophobicContact CD1-CB 4.02Å; I4-A24 HydrophobicContact CG1-CB 3.53Å; I4-G71 VanDerWaalsContact CD1-C 3.41Å; I4-M72 HydrophobicContact CD1-CB 4.04Å; I4-S82 WeakPolarHBondContact CG2-OG 3.47Å
5L78.7Confident85.4Confident109 Ų10960.7 Ų60.757%0.57135%0.347SS*.G310 helixtrans-72.9-18.5175.4-61.3179.6000113G3 K9 I70 T83G3-L5 PolarHBondContact O-N 3.31Å; L5-K9 PolarHBondContact O-NZ 3.32Å; L5-I70 HydrophobicContact CD2-CG2 4.31Å; L5-T83 HydrophobicContact CD2-CG2 4.14Å
6D84.8Confident86.2Confident119 Ų11958.4 Ų58.464%0.63633%0.333SS*.G310 helixtrans-96-10-177.1-57.3-37.7000113.3A2 G3 I4A2-D6 HydrophobicContact CB-CB 3.87Å; G3-D6 PolarHBondContact N-OD2 2.83Å; G3-D6 WeakPolarHBondContact O-CB 3.5Å; G3-D6 PolarHBondContact O-N 3.44Å; I4-D6 VanDerWaalsContact C-N 3.27Å; I4-D6 PolarHBondContact O-N 2.82Å
7V88.6Confident86.8Confident52 Ų5255.8 Ų55.832%0.31532%0.317SS..SBendtrans-102.2150.4178.2-60.50000111.1I4 K9 A24I4-V7 WeakPolarHBondContact O-CG2 3.48Å; V7-K9 WeakPolarHBondContact O-CE 3.12Å; V7-K9 PolarHBondContact O-N 3.4Å; V7-K9 PolarHBondContact O-NZ 2.88Å; V7-A24 HydrophobicContact CG2-CB 3.58Å
8P91.3Very high87.4Confident40 Ų4057.4 Ų57.426%0.2633%0.333SS..  trans-56.5142.8173.6-21.531.9000112.2P10 F116 V118P8-P10 WeakPolarHBondContact O-CD 3.17Å; P8-F116 WeakPolarHBondContact CB-O 2.99Å; P8-F116 WeakPolarHBondContact CG-O 3.26Å; P8-V118 HydrophobicContact CG-CB 4.2Å; P8-V118 HydrophobicContact CG-CG2 3.66Å
9K94.9Very high87.8Confident50 Ų5061.3 Ų61.322%0.21735%0.348CS..  trans-122.486.8-178.4-68.7140.6-77.4-99.30108.6I4 L5 V7 R11 A24 C26 I70I4-K9 PolarHBondContact O-NZ 3.1Å; L5-K9 PolarHBondContact O-NZ 3.32Å; V7-K9 WeakPolarHBondContact O-CE 3.12Å; V7-K9 PolarHBondContact O-N 3.4Å; V7-K9 PolarHBondContact O-NZ 2.88Å; K9-R11 PolarHBondContact O-N 2.97Å; K9-A24 HydrophobicContact CG-CB 4.13Å; K9-C26 HydrophobicContact CB-CB 4.13Å; K9-I70 HydrophobicContact CD-CD1 4.35Å; K9-I70 HydrophobicContact CD-CG1 4.49Å; K9-I70 HydrophobicContact CD-CG2 3.56Å; K9-I70 HydrophobicContact CG-CG2 4.08Å
10P96Very high88.3Confident19 Ų1959.3 Ų59.312%0.12334%0.335CS..  trans-52.2135.2176.8-29.338.9000111.2P8 I12 F20 A24 C26 F116P8-P10 WeakPolarHBondContact O-CD 3.17Å; P10-I12 HydrophobicContact CB-CG2 4.36Å; P10-F20 HydrophobicContact CB-CD1 4.41Å; P10-F20 HydrophobicContact CB-CE1 3.62Å; P10-F20 HydrophobicContact CB-CZ 4.1Å; P10-F20 HydrophobicContact CG-CE1 3.8Å; P10-A24 WeakPolarHBondContact CD-O 3.22Å; P10-C26 PolarHBondContact O-N 3.4Å; P10-F116 VanDerWaalsContact CA-CE1 3.49Å; P10-F116 HydrophobicContact CB-CD1 4.11Å; P10-F116 HydrophobicContact CB-CD2 4.37Å; P10-F116 HydrophobicContact CB-CE1 4.1Å; P10-F116 HydrophobicContact CB-CE2 4.37Å; P10-F116 HydrophobicContact CB-CG 4.21Å; P10-F116 HydrophobicContact CB-CZ 4.2Å; P10-F116 HydrophobicContact CG-CB 4.19Å; P10-F116 HydrophobicContact CG-CD1 4.24Å; P10-F116 HydrophobicContact CG-CG 4.11Å
11R97.9Very high88.7Confident60 Ų6059.4 Ų59.423%0.22633%0.334CS..EExtended strand (participates in β ladder)trans-79.6124.4176-68.2-178.8170.9-77.82.5108.4K9 C26 I28 E68 Y100 L104 H108K9-R11 PolarHBondContact O-N 2.97Å; R11-C26 VanDerWaalsContact CA-O 3.28Å; R11-C26 WeakPolarHBondContact CA-O 3.15Å; R11-C26 HydrophobicContact CG-CB 4.01Å; R11-C26 PolarHBondContact NH1-SG 3.22Å; R11-I28 VanDerWaalsContact NH1-CD1 3.34Å; R11-E68 IonicContact CZ-OE1 3.31Å; R11-E68 VanDerWaalsContact CZ-OE1 3.31Å; R11-E68 IonicContact NH1-OE1 2.84Å; R11-E68 PolarHBondContact NH1-OE1 3.08Å; R11-E68 IonicContact NH2-OE1 2.84Å; R11-E68 PolarHBondContact NH2-OE1 3.02Å; R11-Y100 WeakPolarHBondContact CD-OH 3.12Å; R11-Y100 PolarHBondContact NH1-OH 2.9Å; R11-Y100 VanDerWaalsContact NH1-OH 3.08Å; R11-L104 HydrophobicContact CB-CD2 3.46Å; R11-L104 VanDerWaalsContact CB-CD2 3.46Å; R11-H108 PolarHBondContact O-NE2 3.19Å
12I98.1Very high91.1Very high0 Ų052.4 Ų52.40%030%0.301CS..EExtended strand (participates in β ladder)trans-135.9162.8-172.465.5161.1000111.8P10 M16 L17 F20 V25 C26 F27 V73P10-I12 HydrophobicContact CB-CG2 4.36Å; I12-M16 HydrophobicContact CB-CB 3.97Å; I12-M16 HydrophobicContact CB-SD 4.1Å; I12-M16 HydrophobicContact CG2-CB 4.28Å; I12-M16 HydrophobicContact CG2-SD 4.23Å; I12-L17 HydrophobicContact CD1-CD2 3.81Å; I12-L17 HydrophobicContact CD1-CG 4.38Å; I12-F20 HydrophobicContact CD1-CB 4.25Å; I12-F20 HydrophobicContact CD1-CD2 4.41Å; I12-F20 HydrophobicContact CD1-CG 4.4Å; I12-F20 HydrophobicContact CG2-CD1 4.36Å; I12-F20 HydrophobicContact CG2-CD2 3.78Å; I12-F20 HydrophobicContact CG2-CE1 4.23Å; I12-F20 HydrophobicContact CG2-CE2 3.62Å; I12-F20 HydrophobicContact CG2-CG 4.16Å; I12-F20 HydrophobicContact CG2-CZ 3.86Å; I12-V25 HydrophobicContact CD1-CB 3.91Å; I12-V25 HydrophobicContact CD1-CG1 3.69Å; I12-V25 HydrophobicContact CD1-CG2 4.11Å; I12-V25 HydrophobicContact CG1-CB 4.01Å; I12-V25 HydrophobicContact CG1-CG1 4.2Å; I12-V25 HydrophobicContact CG1-CG2 4.46Å; I12-C26 PolarHBondContact N-O 2.83Å; I12-C26 VanDerWaalsContact N-O 3.08Å; I12-F27 HydrophobicContact CG1-CD2 4.33Å; I12-V73 HydrophobicContact CD1-CG2 4.43Å
13N98.2Very high92.9Very high3 Ų356 Ų562%0.01630%0.299CS..  trans-111.3-178.7168.869.817.9000110.9S15 M16 D45 N101 L104N13-S15 VanDerWaalsContact C-N 3.28Å; N13-S15 PolarHBondContact O-N 3.41Å; N13-S15 PolarHBondContact OD1-N 2.74Å; N13-S15 VanDerWaalsContact OD1-N 3.14Å; N13-S15 PolarHBondContact OD1-OG 2.8Å; N13-M16 PolarHBondContact O-N 2.82Å; N13-M16 VanDerWaalsContact O-N 3.16Å; N13-M16 WeakPolarHBondContact OD1-CG 3.25Å; N13-M16 PolarHBondContact OD1-N 2.91Å; N13-D45 HydrophobicContact CB-CB 4.42Å; N13-N101 PolarHBondContact ND2-OD1 2.94Å; N13-L104 HydrophobicContact CB-CD1 3.91Å
14C98.1Very high93.9Very high17 Ų1754.9 Ų54.912%0.11529%0.287CS..G310 helixtrans-61-36.6-175.7-69.40000112.8M16 L17 F27 D45 K49 T50C14-M16 PolarHBondContact O-N 2.8Å; C14-L17 HydrophobicContact CB-CD1 4.39Å; C14-L17 PolarHBondContact O-N 3.11Å; C14-F27 VanDerWaalsContact SG-CZ 3.56Å; C14-D45 WeakPolarHBondContact CB-OD2 3.33Å; C14-D45 PolarHBondContact N-OD2 3.18Å; C14-D45 PolarHBondContact SG-OD2 2.93Å; C14-K49 HydrophobicContact CB-CB 3.56Å; C14-K49 HydrophobicContact CB-CD 4.25Å; C14-K49 VanDerWaalsContact SG-C 3.6Å; C14-K49 PolarHBondContact SG-O 3.29Å; C14-T50 VanDerWaalsContact SG-C 3.59Å
15S96.9Very high94.7Very high56 Ų5653.3 Ų53.339%0.39228%0.279SS..G310 helixtrans-64.7-21.1-178.476.40000113.4N13N13-S15 VanDerWaalsContact C-N 3.28Å; N13-S15 PolarHBondContact O-N 3.41Å; N13-S15 PolarHBondContact OD1-N 2.74Å; N13-S15 VanDerWaalsContact OD1-N 3.14Å; N13-S15 PolarHBondContact OD1-OG 2.8Å
16M97.3Very high95.6Very high24 Ų2448.4 Ų48.412%0.11825%0.253CS..G310 helixtrans-92.8-14.5-177.8-65.7171.6-178.600112.9I12 N13 C14 S18 Q19 F20 H108I12-M16 HydrophobicContact CB-CB 3.97Å; I12-M16 HydrophobicContact CB-SD 4.1Å; I12-M16 HydrophobicContact CG2-CB 4.28Å; I12-M16 HydrophobicContact CG2-SD 4.23Å; N13-M16 PolarHBondContact O-N 2.82Å; N13-M16 VanDerWaalsContact O-N 3.16Å; N13-M16 WeakPolarHBondContact OD1-CG 3.25Å; N13-M16 PolarHBondContact OD1-N 2.91Å; C14-M16 PolarHBondContact O-N 2.8Å; M16-S18 VanDerWaalsContact C-N 3.27Å; M16-S18 PolarHBondContact O-N 2.87Å; M16-S18 VanDerWaalsContact O-N 3.11Å; M16-Q19 WeakPolarHBondContact O-CB 3.21Å; M16-Q19 PolarHBondContact O-N 2.88Å; M16-F20 HydrophobicContact CB-CD2 4.17Å; M16-F20 HydrophobicContact CB-CE2 4.21Å; M16-F20 WeakPolarHBondContact O-CD2 3.48Å; M16-F20 PolarHBondContact O-N 2.85Å; M16-H108 HydrophobicContact CE-CB 4.39Å
17L97.6Very high96.3Very high14 Ų1442.7 Ų42.77%0.07322%0.223CC..G310 helixtrans-50.8-43.3-173.4-75.1165.8000113.6I12 C14 Q19 F20 I21 A51 V73 I79I12-L17 HydrophobicContact CD1-CD2 3.81Å; I12-L17 HydrophobicContact CD1-CG 4.38Å; C14-L17 HydrophobicContact CB-CD1 4.39Å; C14-L17 PolarHBondContact O-N 3.11Å; L17-Q19 PolarHBondContact O-N 2.83Å; L17-F20 PolarHBondContact O-N 2.85Å; L17-I21 PolarHBondContact O-N 3.25Å; L17-A51 HydrophobicContact CD1-CB 3.89Å; L17-V73 HydrophobicContact CD2-CG1 4.15Å; L17-V73 HydrophobicContact CD2-CG2 4.02Å; L17-I79 HydrophobicContact CD2-CD1 4.08Å; L17-I79 HydrophobicContact CD2-CG1 3.86Å
18S96.7Very high96.8Very high85 Ų8540.6 Ų40.659%0.59421%0.21SC*.G310 helixtrans-61.6-29.1179.659.80000113.7M16 F20 I21M16-S18 VanDerWaalsContact C-N 3.27Å; M16-S18 PolarHBondContact O-N 2.87Å; M16-S18 VanDerWaalsContact O-N 3.11Å; S18-F20 VanDerWaalsContact C-N 3.32Å; S18-I21 WeakPolarHBondContact O-CG1 3.4Å
19Q96.1Very high97.1Very high131 Ų13138.7 Ų38.761%0.61220%0.198SC*.G310 helixtrans-80.7-17178.7-54.2177.626.200112.4M16 L17M16-Q19 WeakPolarHBondContact O-CB 3.21Å; M16-Q19 PolarHBondContact O-N 2.88Å; L17-Q19 PolarHBondContact O-N 2.83Å
20F96.4Very high97.2Very high21 Ų2141 Ų419%0.09221%0.205CC..G310 helixtrans-110.914-175.7-73.7-91.5000113.8P10 I12 M16 L17 S18 N22 R23 V25 V73P10-F20 HydrophobicContact CB-CD1 4.41Å; P10-F20 HydrophobicContact CB-CE1 3.62Å; P10-F20 HydrophobicContact CB-CZ 4.1Å; P10-F20 HydrophobicContact CG-CE1 3.8Å; I12-F20 HydrophobicContact CD1-CB 4.25Å; I12-F20 HydrophobicContact CD1-CD2 4.41Å; I12-F20 HydrophobicContact CD1-CG 4.4Å; I12-F20 HydrophobicContact CG2-CD1 4.36Å; I12-F20 HydrophobicContact CG2-CD2 3.78Å; I12-F20 HydrophobicContact CG2-CE1 4.23Å; I12-F20 HydrophobicContact CG2-CE2 3.62Å; I12-F20 HydrophobicContact CG2-CG 4.16Å; I12-F20 HydrophobicContact CG2-CZ 3.86Å; M16-F20 HydrophobicContact CB-CD2 4.17Å; M16-F20 HydrophobicContact CB-CE2 4.21Å; M16-F20 WeakPolarHBondContact O-CD2 3.48Å; M16-F20 PolarHBondContact O-N 2.85Å; L17-F20 PolarHBondContact O-N 2.85Å; S18-F20 VanDerWaalsContact C-N 3.32Å; F20-N22 PolarHBondContact O-N 2.83Å; F20-R23 HydrophobicContact CB-CB 4.48Å; F20-R23 HydrophobicContact CD1-CB 4.35Å; F20-R23 VanDerWaalsContact O-CB 3.25Å; F20-R23 WeakPolarHBondContact O-CB 3.39Å; F20-R23 PolarHBondContact O-N 3.27Å; F20-V25 HydrophobicContact CB-CG1 3.74Å; F20-V25 HydrophobicContact CD1-CG1 3.92Å; F20-V25 HydrophobicContact CG-CG1 4.03Å; F20-V73 HydrophobicContact CB-CG2 4.05Å; F20-V73 WeakPolarHBondContact O-CB 3.44Å
21I97.3Very high97.3Very high62 Ų6241.1 Ų41.132%0.31821%0.205SC..BIsolated β-bridgetrans-50.2134174-66.1174.7000110.8L17 S18 R23 V73 N75L17-I21 PolarHBondContact O-N 3.25Å; S18-I21 WeakPolarHBondContact O-CG1 3.4Å; I21-R23 PolarHBondContact O-N 3.4Å; I21-V73 HydrophobicContact CG1-CG1 4.34Å; I21-N75 WeakPolarHBondContact CG2-OD1 3.29Å
22N95.6Very high97.3Very high97 Ų9742.7 Ų42.752%0.51922%0.215SC..THydrogen-bonded Turntrans59.722-175.8-59-48.8000114.5F20 V73 N75F20-N22 PolarHBondContact O-N 2.83Å; N22-V73 WeakPolarHBondContact CA-O 3.49Å; N22-V73 PolarHBondContact N-O 3.37Å; N22-N75 PolarHBondContact ND2-OD1 3.17Å; N22-N75 PolarHBondContact OD1-OD1 3.21Å
23R95.3Very high97.3Very high149 Ų14949.6 Ų49.656%0.56225%0.245SC*.SBendtrans-116151174.2-54.4-176.2-177.5-178.7-1.3111.2F20 I21 M72 V73F20-R23 HydrophobicContact CB-CB 4.48Å; F20-R23 HydrophobicContact CD1-CB 4.35Å; F20-R23 VanDerWaalsContact O-CB 3.25Å; F20-R23 WeakPolarHBondContact O-CB 3.39Å; F20-R23 PolarHBondContact O-N 3.27Å; I21-R23 PolarHBondContact O-N 3.4Å; R23-M72 WeakPolarHBondContact O-CA 3.48Å; R23-V73 PolarHBondContact O-N 2.82Å; R23-V73 VanDerWaalsContact O-N 3.07Å
24A96.1Very high97.2Very high11 Ų1151.9 Ų51.99%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-72.2135.2170.400000110I4 V7 K9 P10 G71I4-A24 HydrophobicContact CD1-CB 4.02Å; I4-A24 HydrophobicContact CG1-CB 3.53Å; V7-A24 HydrophobicContact CG2-CB 3.58Å; K9-A24 HydrophobicContact CG-CB 4.13Å; P10-A24 WeakPolarHBondContact CD-O 3.22Å; A24-G71 CarbonylContact C-O 3.59Å; A24-G71 WeakPolarHBondContact CA-O 3.43Å
25V97.4Very high97.2Very high0 Ų055.4 Ų55.40%027%0.273CS..EExtended strand (participates in β ladder)trans-138.9161.6-176.9-62.90000111.2I12 F20 I70 G71 V73I12-V25 HydrophobicContact CD1-CB 3.91Å; I12-V25 HydrophobicContact CD1-CG1 3.69Å; I12-V25 HydrophobicContact CD1-CG2 4.11Å; I12-V25 HydrophobicContact CG1-CB 4.01Å; I12-V25 HydrophobicContact CG1-CG1 4.2Å; I12-V25 HydrophobicContact CG1-CG2 4.46Å; F20-V25 HydrophobicContact CB-CG1 3.74Å; F20-V25 HydrophobicContact CD1-CG1 3.92Å; F20-V25 HydrophobicContact CG-CG1 4.03Å; V25-I70 WeakPolarHBondContact O-CA 3.41Å; V25-G71 PolarHBondContact N-O 3.07Å; V25-G71 PolarHBondContact O-N 2.87Å; V25-V73 HydrophobicContact CB-CG2 4.36Å; V25-V73 HydrophobicContact CG1-CG2 3.76Å; V25-V73 HydrophobicContact CG2-CG2 3.65Å
26C97.9Very high97.1Very high6 Ų658.6 Ų58.64%0.04129%0.293CS..EExtended strand (participates in β ladder)trans-116.3121167.4178.40000107.9K9 P10 R11 I12 E68 V69K9-C26 HydrophobicContact CB-CB 4.13Å; P10-C26 PolarHBondContact O-N 3.4Å; R11-C26 VanDerWaalsContact CA-O 3.28Å; R11-C26 WeakPolarHBondContact CA-O 3.15Å; R11-C26 HydrophobicContact CG-CB 4.01Å; R11-C26 PolarHBondContact NH1-SG 3.22Å; I12-C26 PolarHBondContact N-O 2.83Å; I12-C26 VanDerWaalsContact N-O 3.08Å; C26-E68 PolarHBondContact SG-OE1 3.08Å; C26-E68 VanDerWaalsContact SG-OE1 3.37Å; C26-V69 WeakPolarHBondContact CA-O 3.28Å
27F98.5Very high97Very high0 Ų061.1 Ų61.10%031%0.31CS..EExtended strand (participates in β ladder)trans-122.9127.5-177-173.4-76.5000109.1I12 C14 V43 D45 A51 E68 V69 I79I12-F27 HydrophobicContact CG1-CD2 4.33Å; C14-F27 VanDerWaalsContact SG-CZ 3.56Å; F27-V43 HydrophobicContact CD1-CG2 3.83Å; F27-V43 HydrophobicContact CE1-CB 4.17Å; F27-V43 HydrophobicContact CE1-CG2 3.3Å; F27-V43 HydrophobicContact CZ-CG2 4.07Å; F27-D45 HydrophobicContact CZ-CB 3.98Å; F27-A51 HydrophobicContact CE1-CB 4.37Å; F27-A51 HydrophobicContact CE2-CB 3.99Å; F27-A51 HydrophobicContact CZ-CB 3.76Å; F27-E68 CarbonylContact O-C 3.56Å; F27-V69 PolarHBondContact N-O 3.12Å; F27-V69 PolarHBondContact O-N 3.24Å; F27-I79 HydrophobicContact CB-CD1 3.53Å; F27-I79 HydrophobicContact CD1-CD1 4.18Å; F27-I79 HydrophobicContact CD2-CD1 3.61Å; F27-I79 HydrophobicContact CE2-CD1 4.35Å; F27-I79 HydrophobicContact CG-CD1 3.5Å; F27-I79 VanDerWaalsContact CG-CD1 3.5Å
28I98.4Very high96.9Very high8 Ų860.9 Ų60.94%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-112.9131.1173.4-62.9-176.9000108.6R11 I66 V67 E68 L87 F95 L97 Y100R11-I28 VanDerWaalsContact NH1-CD1 3.34Å; I28-I66 HydrophobicContact CG2-CG2 3.58Å; I28-V67 WeakPolarHBondContact CA-O 3.32Å; I28-E68 HydrophobicContact CD1-CB 4.27Å; I28-E68 HydrophobicContact CD1-CG 4.17Å; I28-E68 HydrophobicContact CG1-CB 3.88Å; I28-E68 HydrophobicContact CG1-CG 3.82Å; I28-L87 HydrophobicContact CD1-CD1 4.06Å; I28-L87 HydrophobicContact CG2-CD1 4.16Å; I28-F95 HydrophobicContact CG2-CE1 4.01Å; I28-F95 HydrophobicContact CG2-CZ 4.1Å; I28-L97 HydrophobicContact CG2-CD1 3.95Å; I28-Y100 HydrophobicContact CB-CD1 4.24Å; I28-Y100 HydrophobicContact CB-CE1 3.65Å; I28-Y100 HydrophobicContact CD1-CE1 4.23Å; I28-Y100 HydrophobicContact CD1-CE2 3.8Å; I28-Y100 WeakPolarHBondContact CD1-OH 3.36Å; I28-Y100 HydrophobicContact CG1-CE1 4.19Å; I28-Y100 HydrophobicContact CG2-CE1 4.4Å
29G98.2Very high96.9Very high0 Ų061.7 Ų61.70%030%0.304CS..EExtended strand (participates in β ladder)trans-158.6169.6176.200000112.9M44 I66 V67G29-M44 CarbonylContact C-O 3.59Å; G29-M44 WeakPolarHBondContact CA-O 3.11Å; G29-I66 WeakPolarHBondContact O-CA 3.22Å; G29-V67 PolarHBondContact N-O 3.45Å; G29-V67 VanDerWaalsContact N-O 3.08Å; G29-V67 PolarHBondContact O-N 3.15Å
30R98Very high96.9Very high99 Ų9958.2 Ų58.237%0.37429%0.288SS..EExtended strand (participates in β ladder)trans-87.3127.2173.7-173.4171.7-68.8-75.5-1.9109.8E32 V43 M44 G65 I66 E89 L97R30-E32 PolarHBondContact O-N 2.9Å; R30-V43 CarbonylContact O-C 3.56Å; R30-V43 WeakPolarHBondContact O-CA 3.38Å; R30-M44 PolarHBondContact N-O 2.81Å; R30-M44 PolarHBondContact O-N 2.75Å; R30-G65 CarbonylContact C-O 3.53Å; R30-G65 WeakPolarHBondContact CA-O 3.46Å; R30-I66 HydrophobicContact CB-CD1 3.65Å; R30-I66 HydrophobicContact CG-CD1 4.12Å; R30-E89 IonicContact NH1-OE2 3.65Å; R30-E89 IonicContact NH2-OE1 3.52Å; R30-L97 HydrophobicContact CB-CD2 4.38Å
31V97.9Very high97Very high20 Ų2057.2 Ų57.212%0.12128%0.284CS..EExtended strand (participates in β ladder)trans-63.4124.7175.9-178.20000109.4V34 V43 L63 G65 V67V31-V34 HydrophobicContact CG1-CG2 4.09Å; V31-V43 HydrophobicContact CG2-CG1 4.36Å; V31-L63 HydrophobicContact CG1-CD2 4.27Å; V31-L63 HydrophobicContact CG1-CG 4.38Å; V31-L63 HydrophobicContact CG2-CD2 4.02Å; V31-L63 HydrophobicContact CG2-CG 3.91Å; V31-G65 PolarHBondContact N-O 2.87Å; V31-V67 HydrophobicContact CG2-CB 4.06Å; V31-V67 HydrophobicContact CG2-CG1 3.63Å
32E97.7Very high97.1Very high94 Ų9455.9 Ų55.944%0.43928%0.279SS..EExtended strand (participates in β ladder)trans-100.1-49.8176.9-67.5-168.995.300111.8R30 T42 M44 T50R30-E32 PolarHBondContact O-N 2.9Å; E32-T42 PolarHBondContact N-O 2.89Å; E32-M44 HydrophobicContact CG-CB 3.85Å; E32-M44 HydrophobicContact CG-CE 4.23Å; E32-M44 WeakPolarHBondContact OE1-CE 3.39Å; E32-T50 WeakPolarHBondContact OE2-CG2 3.48Å; E32-T50 PolarHBondContact OE2-OG1 3.25Å
33K96.8Very high97.2Very high145 Ų14551.3 Ų51.363%0.6325%0.254SS*.EExtended strand (participates in β ladder)trans-147.7134.1-174.8-173175.9-179.1179.40111F41 T42K33-F41 CarbonylContact O-C 3.46Å; K33-F41 WeakPolarHBondContact O-CA 3.49Å; K33-F41 VanDerWaalsContact O-CB 3.26Å; K33-F41 WeakPolarHBondContact O-CB 3.45Å; K33-T42 PolarHBondContact N-OG1 3.36Å; K33-T42 PolarHBondContact O-N 3Å
34V97.4Very high97.3Very high51 Ų5147.3 Ų47.331%0.30924%0.243SC..EExtended strand (participates in β ladder)trans-101.2130.8169.8-176.50000108.7V31 F41 V59 L63V31-V34 HydrophobicContact CG1-CG2 4.09Å; V34-F41 HydrophobicContact CB-CB 4.42Å; V34-F41 HydrophobicContact CG2-CB 4.1Å; V34-V59 HydrophobicContact CG1-CG2 4.1Å; V34-L63 HydrophobicContact CG2-CB 4.08Å; V34-L63 HydrophobicContact CG2-CD2 4.45Å
35H97.1Very high97.4Very high90 Ų9047 Ų4742%0.41724%0.24SC..  trans-68.7144.9176-172.6-96.7000110.1T37 G38 M40H35-T37 PolarHBondContact ND1-N 3.15Å; H35-T37 PolarHBondContact ND1-OG1 3.29Å; H35-T37 PolarHBondContact O-N 2.84Å; H35-G38 WeakPolarHBondContact O-CA 3.37Å; H35-G38 PolarHBondContact O-N 3.2Å; H35-M40 HydrophobicContact CB-CB 3.93Å; H35-M40 WeakPolarHBondContact CB-O 3.42Å; H35-M40 PolarHBondContact N-O 2.88Å
36P95.1Very high97.5Very high124 Ų12447.8 Ų47.881%0.80525%0.247SC*.THydrogen-bonded Turntrans-57-22.9-177.1-28.936.2000115.6G38P36-G38 PolarHBondContact O-N 2.89Å
37T95.1Very high97.4Very high77 Ų7750.9 Ų50.947%0.47226%0.261SS..THydrogen-bonded Turntrans-75.7-10.5175.160.70000113.4H35 K39 P58H35-T37 PolarHBondContact ND1-N 3.15Å; H35-T37 PolarHBondContact ND1-OG1 3.29Å; H35-T37 PolarHBondContact O-N 2.84Å; T37-K39 PolarHBondContact O-N 2.82Å; T37-K39 VanDerWaalsContact O-N 3.1Å; T37-K39 PolarHBondContact OG1-N 2.76Å; T37-P58 WeakPolarHBondContact O-CB 3.32Å
38G94.9Very high97.4Very high9 Ų953 Ų539%0.09328%0.283CS..SBendtrans68.7-2.6-172.600000114.7H35 P36 L55 P58 V59H35-G38 WeakPolarHBondContact O-CA 3.37Å; H35-G38 PolarHBondContact O-N 3.2Å; P36-G38 PolarHBondContact O-N 2.89Å; G38-L55 WeakPolarHBondContact O-CD1 3.43Å; G38-P58 CarbonylContact O-C 3.59Å; G38-P58 WeakPolarHBondContact O-CA 3.33Å; G38-V59 PolarHBondContact O-N 2.99Å
39K96.8Very high97.4Very high101 Ų10156.9 Ų56.944%0.43930%0.3SS..SBendtrans-92.3-0.4-175.1-67-169.4171.6-164.70114.6T37 L55 P58T37-K39 PolarHBondContact O-N 2.82Å; T37-K39 VanDerWaalsContact O-N 3.1Å; T37-K39 PolarHBondContact OG1-N 2.76Å; K39-L55 PolarHBondContact O-N 3.28Å; K39-P58 HydrophobicContact CD-CG 4.47Å; K39-P58 HydrophobicContact CG-CB 4.33Å; K39-P58 HydrophobicContact CG-CG 3.89Å
40M97.5Very high97.4Very high58 Ų5860.5 Ų60.529%0.28632%0.322SS..EExtended strand (participates in β ladder)trans-150.4142.9-178.7-179.3-174.8-78.100108.9H35 T52 V53 E54H35-M40 HydrophobicContact CB-CB 3.93Å; H35-M40 WeakPolarHBondContact CB-O 3.42Å; H35-M40 PolarHBondContact N-O 2.88Å; M40-T52 HydrophobicContact CE-CG2 4.05Å; M40-T52 HydrophobicContact CG-CG2 3.7Å; M40-T52 HydrophobicContact SD-CG2 3.75Å; M40-V53 CarbonylContact C-O 3.5Å; M40-V53 VanDerWaalsContact CA-O 3.25Å; M40-V53 WeakPolarHBondContact CA-O 3.42Å; M40-E54 HydrophobicContact CE-CG 3.8Å; M40-E54 WeakPolarHBondContact CE-OE1 3.13Å
41F98.2Very high97.4Very high1 Ų155.9 Ų55.90%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-148161.8170.762.5-85.4000110.3K33 V34 V43 V53 L55 L63 V67 V69K33-F41 CarbonylContact O-C 3.46Å; K33-F41 WeakPolarHBondContact O-CA 3.49Å; K33-F41 VanDerWaalsContact O-CB 3.26Å; K33-F41 WeakPolarHBondContact O-CB 3.45Å; V34-F41 HydrophobicContact CB-CB 4.42Å; V34-F41 HydrophobicContact CG2-CB 4.1Å; F41-V43 HydrophobicContact CD2-CG1 3.71Å; F41-V43 HydrophobicContact CE2-CG1 3.48Å; F41-V43 VanDerWaalsContact CE2-CG1 3.48Å; F41-V53 HydrophobicContact CD1-CB 4.15Å; F41-V53 HydrophobicContact CD1-CG1 4.34Å; F41-V53 HydrophobicContact CD2-CB 4.16Å; F41-V53 HydrophobicContact CD2-CG2 4.36Å; F41-V53 HydrophobicContact CE1-CB 3.77Å; F41-V53 HydrophobicContact CE1-CG1 3.54Å; F41-V53 HydrophobicContact CE2-CB 3.78Å; F41-V53 HydrophobicContact CE2-CG1 4.14Å; F41-V53 HydrophobicContact CE2-CG2 3.81Å; F41-V53 HydrophobicContact CG-CB 4.34Å; F41-V53 HydrophobicContact CZ-CB 3.58Å; F41-V53 HydrophobicContact CZ-CG1 3.43Å; F41-V53 VanDerWaalsContact CZ-CG1 3.43Å; F41-V53 HydrophobicContact CZ-CG2 3.97Å; F41-V53 PolarHBondContact N-O 3.14Å; F41-V53 PolarHBondContact O-N 3.15Å; F41-L55 HydrophobicContact CD1-CD1 3.92Å; F41-L55 HydrophobicContact CD1-CG 4.31Å; F41-L55 HydrophobicContact CE1-CD1 3.77Å; F41-L55 HydrophobicContact CE1-CD2 4.06Å; F41-L55 HydrophobicContact CE1-CG 3.9Å; F41-L63 HydrophobicContact CB-CD2 4.26Å; F41-L63 HydrophobicContact CD1-CD2 3.64Å; F41-L63 HydrophobicContact CD2-CD2 3.6Å; F41-L63 HydrophobicContact CE1-CD2 3.74Å; F41-L63 HydrophobicContact CE2-CD2 3.69Å; F41-L63 HydrophobicContact CG-CD2 3.56Å; F41-L63 HydrophobicContact CZ-CD2 3.76Å; F41-V67 HydrophobicContact CE2-CG1 4.07Å; F41-V69 HydrophobicContact CE2-CG2 4.32Å; F41-V69 HydrophobicContact CZ-CG2 4.03Å
42T98.4Very high97.4Very high34 Ų3456.8 Ų56.821%0.20931%0.311CS..EExtended strand (participates in β ladder)trans-109143.1174.958.40000110.6E32 K33 T50 A51E32-T42 PolarHBondContact N-O 2.89Å; K33-T42 PolarHBondContact N-OG1 3.36Å; K33-T42 PolarHBondContact O-N 3Å; T42-T50 HydrophobicContact CG2-CG2 4.11Å; T42-A51 WeakPolarHBondContact CA-O 3.06Å
43V98.3Very high97.4Very high0 Ų052.3 Ų52.30%029%0.29CS..EExtended strand (participates in β ladder)trans-126.2138177.1-69.10000110.4F27 R30 V31 F41 T50 A51 V53 V67F27-V43 HydrophobicContact CD1-CG2 3.83Å; F27-V43 HydrophobicContact CE1-CB 4.17Å; F27-V43 HydrophobicContact CE1-CG2 3.3Å; F27-V43 HydrophobicContact CZ-CG2 4.07Å; R30-V43 CarbonylContact O-C 3.56Å; R30-V43 WeakPolarHBondContact O-CA 3.38Å; V31-V43 HydrophobicContact CG2-CG1 4.36Å; F41-V43 HydrophobicContact CD2-CG1 3.71Å; F41-V43 HydrophobicContact CE2-CG1 3.48Å; F41-V43 VanDerWaalsContact CE2-CG1 3.48Å; V43-T50 CarbonylContact O-C 3.59Å; V43-T50 VanDerWaalsContact O-CA 3.29Å; V43-T50 WeakPolarHBondContact O-CA 3.17Å; V43-A51 HydrophobicContact CG2-CB 4.07Å; V43-A51 PolarHBondContact N-O 3.04Å; V43-A51 PolarHBondContact O-N 3.08Å; V43-V53 HydrophobicContact CG2-CG2 3.91Å; V43-V67 HydrophobicContact CG1-CG1 3.55Å
44M98.6Very high97.5Very high66 Ų6647.9 Ų47.933%0.32527%0.271SS..EExtended strand (participates in β ladder)trans-94.4131.6172.4-172.5-176.8-66.300109.8G29 R30 E32 K49 L97G29-M44 CarbonylContact C-O 3.59Å; G29-M44 WeakPolarHBondContact CA-O 3.11Å; R30-M44 PolarHBondContact N-O 2.81Å; R30-M44 PolarHBondContact O-N 2.75Å; E32-M44 HydrophobicContact CG-CB 3.85Å; E32-M44 HydrophobicContact CG-CE 4.23Å; E32-M44 WeakPolarHBondContact OE1-CE 3.39Å; M44-K49 CarbonylContact C-O 3.48Å; M44-K49 WeakPolarHBondContact CA-O 3.44Å; M44-L97 WeakPolarHBondContact O-CD2 3.38Å
45D98.3Very high97.4Very high5 Ų546.4 Ų46.43%0.02726%0.261CS..  trans-83179.9172.873.27.8000112.6N13 C14 F27 E47 G48 K49N13-D45 HydrophobicContact CB-CB 4.42Å; C14-D45 WeakPolarHBondContact CB-OD2 3.33Å; C14-D45 PolarHBondContact N-OD2 3.18Å; C14-D45 PolarHBondContact SG-OD2 2.93Å; F27-D45 HydrophobicContact CZ-CB 3.98Å; D45-E47 PolarHBondContact O-N 2.82Å; D45-E47 VanDerWaalsContact O-N 3.15Å; D45-E47 WeakPolarHBondContact OD1-CA 3.5Å; D45-E47 PolarHBondContact OD1-N 2.83Å; D45-G48 PolarHBondContact O-N 3.43Å; D45-G48 VanDerWaalsContact O-N 3.12Å; D45-G48 PolarHBondContact OD1-N 3.05Å; D45-K49 PolarHBondContact N-O 3.17Å; D45-K49 WeakPolarHBondContact OD1-CB 3.45Å; D45-K49 PolarHBondContact OD1-N 3.14Å
46G97.5Very high97.2Very high16 Ų1647.8 Ų47.817%0.16527%0.272CS..THydrogen-bonded Turntrans-71.10179.300000115.3L97G46-L97 WeakPolarHBondContact CA-O 3.35Å
47E97.3Very high97.1Very high70 Ų7048.8 Ų48.833%0.32727%0.266SS..THydrogen-bonded Turntrans-106.68.1171.6-57.3-167.3154.400112.2D45 K49 N101 K105D45-E47 PolarHBondContact O-N 2.82Å; D45-E47 VanDerWaalsContact O-N 3.15Å; D45-E47 WeakPolarHBondContact OD1-CA 3.5Å; D45-E47 PolarHBondContact OD1-N 2.83Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 HydrophobicContact CB-CD 4.46Å; E47-K49 HydrophobicContact CB-CG 4.5Å; E47-K49 PolarHBondContact O-N 2.9Å; E47-K49 IonicContact OE2-NZ 2.74Å; E47-K49 PolarHBondContact OE2-NZ 2.74Å; E47-N101 WeakPolarHBondContact CG-ND2 3.49Å; E47-N101 PolarHBondContact OE1-ND2 2.83Å; E47-K105 VanDerWaalsContact OE1-CE 3.27Å; E47-K105 WeakPolarHBondContact OE1-CE 3.34Å; E47-K105 IonicContact OE1-NZ 3.43Å; E47-K105 PolarHBondContact OE1-NZ 2.94Å
48G97.4Very high97.1Very high45 Ų4548.1 Ų48.146%0.46426%0.263SS..SBendtrans74.315.5-177.200000113.9D45D45-G48 PolarHBondContact O-N 3.43Å; D45-G48 VanDerWaalsContact O-N 3.12Å; D45-G48 PolarHBondContact OD1-N 3.05Å
49K98.1Very high96.9Very high90 Ų9049.1 Ų49.139%0.39127%0.267SS..  trans-95.2143.2178.1-65.6171.7-174.2152.80110.1C14 M44 D45 E47C14-K49 HydrophobicContact CB-CB 3.56Å; C14-K49 HydrophobicContact CB-CD 4.25Å; C14-K49 VanDerWaalsContact SG-C 3.6Å; C14-K49 PolarHBondContact SG-O 3.29Å; M44-K49 CarbonylContact C-O 3.48Å; M44-K49 WeakPolarHBondContact CA-O 3.44Å; D45-K49 PolarHBondContact N-O 3.17Å; D45-K49 WeakPolarHBondContact OD1-CB 3.45Å; D45-K49 PolarHBondContact OD1-N 3.14Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 HydrophobicContact CB-CD 4.46Å; E47-K49 HydrophobicContact CB-CG 4.5Å; E47-K49 PolarHBondContact O-N 2.9Å; E47-K49 IonicContact OE2-NZ 2.74Å; E47-K49 PolarHBondContact OE2-NZ 2.74Å
50T98.2Very high96.3Very high75 Ų7552.9 Ų52.946%0.4629%0.286SS..EExtended strand (participates in β ladder)trans-98.9136.3-176.5-54.50000112C14 E32 T42 V43C14-T50 VanDerWaalsContact SG-C 3.59Å; E32-T50 WeakPolarHBondContact OE2-CG2 3.48Å; E32-T50 PolarHBondContact OE2-OG1 3.25Å; T42-T50 HydrophobicContact CG2-CG2 4.11Å; V43-T50 CarbonylContact O-C 3.59Å; V43-T50 VanDerWaalsContact O-CA 3.29Å; V43-T50 WeakPolarHBondContact O-CA 3.17Å
51A98.3Very high95.7Very high3 Ų357.4 Ų57.43%0.02531%0.307CS..EExtended strand (participates in β ladder)trans-115147.3166.500000110.6L17 F27 T42 V43L17-A51 HydrophobicContact CD1-CB 3.89Å; F27-A51 HydrophobicContact CE1-CB 4.37Å; F27-A51 HydrophobicContact CE2-CB 3.99Å; F27-A51 HydrophobicContact CZ-CB 3.76Å; T42-A51 WeakPolarHBondContact CA-O 3.06Å; V43-A51 HydrophobicContact CG2-CB 4.07Å; V43-A51 PolarHBondContact N-O 3.04Å; V43-A51 PolarHBondContact O-N 3.08Å
52T98.5Very high95.1Very high38 Ų3865.6 Ų65.623%0.23335%0.345CS..EExtended strand (participates in β ladder)trans-94.7134172.2-57.90000109.6M40 E78 I79M40-T52 HydrophobicContact CE-CG2 4.05Å; M40-T52 HydrophobicContact CG-CG2 3.7Å; M40-T52 HydrophobicContact SD-CG2 3.75Å; T52-E78 HydrophobicContact CG2-CG 4.36Å; T52-E78 WeakPolarHBondContact O-CA 3.37Å; T52-I79 PolarHBondContact O-N 3.43Å
53V98.5Very high94.8Very high0 Ų064.6 Ų64.60%034%0.338CS..EExtended strand (participates in β ladder)trans-116.4127.8176.1-175.80000108.9M40 F41 V43 V69 I79 A81M40-V53 CarbonylContact C-O 3.5Å; M40-V53 VanDerWaalsContact CA-O 3.25Å; M40-V53 WeakPolarHBondContact CA-O 3.42Å; F41-V53 HydrophobicContact CD1-CB 4.15Å; F41-V53 HydrophobicContact CD1-CG1 4.34Å; F41-V53 HydrophobicContact CD2-CB 4.16Å; F41-V53 HydrophobicContact CD2-CG2 4.36Å; F41-V53 HydrophobicContact CE1-CB 3.77Å; F41-V53 HydrophobicContact CE1-CG1 3.54Å; F41-V53 HydrophobicContact CE2-CB 3.78Å; F41-V53 HydrophobicContact CE2-CG1 4.14Å; F41-V53 HydrophobicContact CE2-CG2 3.81Å; F41-V53 HydrophobicContact CG-CB 4.34Å; F41-V53 HydrophobicContact CZ-CB 3.58Å; F41-V53 HydrophobicContact CZ-CG1 3.43Å; F41-V53 VanDerWaalsContact CZ-CG1 3.43Å; F41-V53 HydrophobicContact CZ-CG2 3.97Å; F41-V53 PolarHBondContact N-O 3.14Å; F41-V53 PolarHBondContact O-N 3.15Å; V43-V53 HydrophobicContact CG2-CG2 3.91Å; V53-V69 HydrophobicContact CG1-CG1 3.8Å; V53-V69 HydrophobicContact CG1-CG2 4.46Å; V53-V69 HydrophobicContact CG2-CG1 4.45Å; V53-V69 HydrophobicContact CG2-CG2 4.3Å; V53-I79 CarbonylContact C-O 3.19Å; V53-I79 WeakPolarHBondContact CA-O 3.27Å; V53-I79 HydrophobicContact CG2-CB 4.35Å; V53-A81 HydrophobicContact CG1-CB 3.6Å
54E97.9Very high94.6Very high52 Ų5267.8 Ų67.824%0.24336%0.361CS..EExtended strand (participates in β ladder)trans-104.9140.3173.6-63.5-163.516300110.5M40 I79 M80 A81M40-E54 HydrophobicContact CE-CG 3.8Å; M40-E54 WeakPolarHBondContact CE-OE1 3.13Å; E54-I79 PolarHBondContact N-O 3.1Å; E54-M80 HydrophobicContact CB-CE 4.04Å; E54-M80 HydrophobicContact CB-SD 3.86Å; E54-M80 HydrophobicContact CG-SD 4.23Å; E54-M80 VanDerWaalsContact OE2-CE 3.32Å; E54-M80 WeakPolarHBondContact OE2-CE 3.41Å; E54-A81 WeakPolarHBondContact O-CB 3.15Å; E54-A81 PolarHBondContact O-N 2.87Å
55L96.4Very high94.4Very high20 Ų2065.6 Ų65.611%0.10536%0.355CS..EExtended strand (participates in β ladder)trans-115.5144.4179-62.9166.5000110.4G38 K39 F41 E57 V59 A81 Y84G38-L55 WeakPolarHBondContact O-CD1 3.43Å; K39-L55 PolarHBondContact O-N 3.28Å; F41-L55 HydrophobicContact CD1-CD1 3.92Å; F41-L55 HydrophobicContact CD1-CG 4.31Å; F41-L55 HydrophobicContact CE1-CD1 3.77Å; F41-L55 HydrophobicContact CE1-CD2 4.06Å; F41-L55 HydrophobicContact CE1-CG 3.9Å; L55-E57 WeakPolarHBondContact CB-O 3.46Å; L55-V59 HydrophobicContact CD1-CG1 3.4Å; L55-V59 VanDerWaalsContact CD1-CG1 3.4Å; L55-A81 HydrophobicContact CD2-CB 3.72Å; L55-Y84 HydrophobicContact CD1-CE1 4.36Å; L55-Y84 HydrophobicContact CD2-CD1 3.67Å; L55-Y84 HydrophobicContact CD2-CE1 3.84Å
56N92.6Very high94.3Very high120 Ų12065.4 Ų65.464%0.64235%0.354SS*.SBendtrans-67.1-40.5174.3-66.5-38.6000111.6
57E93Very high94.3Very high144 Ų14464.6 Ų64.667%0.67335%0.346SS*.SBendtrans-119.2148.5179.4-60.8-169.9160.500110L55L55-E57 WeakPolarHBondContact CB-O 3.46Å
58P93.8Very high94.4Very high64 Ų6462.8 Ų62.842%0.41634%0.338SS..  trans-58149.1176-2133.6000111.9T37 G38 K39 E60T37-P58 WeakPolarHBondContact O-CB 3.32Å; G38-P58 CarbonylContact O-C 3.59Å; G38-P58 WeakPolarHBondContact O-CA 3.33Å; K39-P58 HydrophobicContact CD-CG 4.47Å; K39-P58 HydrophobicContact CG-CB 4.33Å; K39-P58 HydrophobicContact CG-CG 3.89Å; P58-E60 PolarHBondContact O-N 3.44Å
59V91.3Very high94.4Very high29 Ų2960.7 Ų60.718%0.17632%0.315CS..  trans-58133167.7-64.30000110.7V34 G38 L55 L63V34-V59 HydrophobicContact CG1-CG2 4.1Å; G38-V59 PolarHBondContact O-N 2.99Å; L55-V59 HydrophobicContact CD1-CG1 3.4Å; L55-V59 VanDerWaalsContact CD1-CG1 3.4Å; V59-L63 HydrophobicContact CG1-CB 4.42Å; V59-L63 HydrophobicContact CG1-CD2 4.43Å
60E83.8Confident94.4Very high180 Ų18057.6 Ų57.684%0.84130%0.303SS*.SBendtrans-86.1-31.4177.1-61.6-173.5162.900111.8P58P58-E60 PolarHBondContact O-N 3.44Å
61E84.6Confident94.3Very high154 Ų15454 Ų5472%0.7228%0.281SS*.SBendtrans-117.2163.2-177.1-61.1-174.9174.400111.5L63E61-L63 PolarHBondContact O-N 3.48Å; E61-L63 VanDerWaalsContact O-N 3.11Å
62E85.9Confident94.3Very high173 Ų17357.8 Ų57.881%0.80830%0.299SS*.  trans-63.9112.7175.7-174.6175.5-173.700110.5
63L92.3Very high94.2Very high12 Ų1256 Ų566%0.06329%0.288CS..  trans-88.2111.4178.3-168.178.3000110V31 V34 F41 V59 E61 V67 Y84 L86V31-L63 HydrophobicContact CG1-CD2 4.27Å; V31-L63 HydrophobicContact CG1-CG 4.38Å; V31-L63 HydrophobicContact CG2-CD2 4.02Å; V31-L63 HydrophobicContact CG2-CG 3.91Å; V34-L63 HydrophobicContact CG2-CB 4.08Å; V34-L63 HydrophobicContact CG2-CD2 4.45Å; F41-L63 HydrophobicContact CB-CD2 4.26Å; F41-L63 HydrophobicContact CD1-CD2 3.64Å; F41-L63 HydrophobicContact CD2-CD2 3.6Å; F41-L63 HydrophobicContact CE1-CD2 3.74Å; F41-L63 HydrophobicContact CE2-CD2 3.69Å; F41-L63 HydrophobicContact CG-CD2 3.56Å; F41-L63 HydrophobicContact CZ-CD2 3.76Å; V59-L63 HydrophobicContact CG1-CB 4.42Å; V59-L63 HydrophobicContact CG1-CD2 4.43Å; E61-L63 PolarHBondContact O-N 3.48Å; E61-L63 VanDerWaalsContact O-N 3.11Å; L63-V67 HydrophobicContact CD1-CG2 4.44Å; L63-Y84 HydrophobicContact CD1-CD2 3.7Å; L63-Y84 HydrophobicContact CD1-CE2 3.47Å; L63-Y84 VanDerWaalsContact CD1-CE2 3.47Å; L63-L86 HydrophobicContact CD1-CD2 3.64Å; L63-L86 HydrophobicContact CD1-CG 4.26Å; L63-L86 HydrophobicContact CG-CD2 4.45Å
64S93.7Very high94.2Very high67 Ų6756.9 Ų56.947%0.46929%0.294SS..  trans-148.6166.217868.10000111.8L86S64-L86 WeakPolarHBondContact O-CD2 3.46Å
65G95Very high94Very high20 Ų2060.2 Ų60.221%0.20631%0.314CS..SBendtrans79.4-149.1179.100000113.2R30 V31R30-G65 CarbonylContact C-O 3.53Å; R30-G65 WeakPolarHBondContact CA-O 3.46Å; V31-G65 PolarHBondContact N-O 2.87Å
66I97.1Very high93.9Very high1 Ų167.3 Ų67.31%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-89.2131.6178.8-57.8-60.1000110.6I28 G29 R30 L87 F95 L97I28-I66 HydrophobicContact CG2-CG2 3.58Å; G29-I66 WeakPolarHBondContact O-CA 3.22Å; R30-I66 HydrophobicContact CB-CD1 3.65Å; R30-I66 HydrophobicContact CG-CD1 4.12Å; I66-L87 HydrophobicContact CB-CB 4.24Å; I66-L87 HydrophobicContact CG2-CB 4.11Å; I66-L87 HydrophobicContact CG2-CD1 3.76Å; I66-L87 HydrophobicContact CG2-CG 4.13Å; I66-L87 PolarHBondContact O-N 3.04Å; I66-F95 HydrophobicContact CG1-CB 3.95Å; I66-F95 HydrophobicContact CG1-CD1 4.21Å; I66-F95 HydrophobicContact CG1-CG 4.3Å; I66-F95 HydrophobicContact CG2-CD1 4.05Å; I66-F95 HydrophobicContact CG2-CE1 4.36Å; I66-F95 HydrophobicContact CG2-CG 4.26Å; I66-L97 HydrophobicContact CD1-CD2 4.38Å
67V97.3Very high93.8Very high0 Ų062.7 Ų62.70%032%0.324CS..EExtended strand (participates in β ladder)trans-123.8135179.165.50000110.7I28 G29 V31 F41 V43 L63 V69 Y84 N85 L86I28-V67 WeakPolarHBondContact CA-O 3.32Å; G29-V67 PolarHBondContact N-O 3.45Å; G29-V67 VanDerWaalsContact N-O 3.08Å; G29-V67 PolarHBondContact O-N 3.15Å; V31-V67 HydrophobicContact CG2-CB 4.06Å; V31-V67 HydrophobicContact CG2-CG1 3.63Å; F41-V67 HydrophobicContact CE2-CG1 4.07Å; V43-V67 HydrophobicContact CG1-CG1 3.55Å; L63-V67 HydrophobicContact CD1-CG2 4.44Å; V67-V69 HydrophobicContact CG1-CG2 4.05Å; V67-V69 HydrophobicContact CG2-CG2 3.99Å; V67-Y84 HydrophobicContact CG2-CD2 4.1Å; V67-Y84 HydrophobicContact CG2-CG 4.39Å; V67-N85 WeakPolarHBondContact CA-O 3.49Å; V67-L86 HydrophobicContact CB-CD2 4.18Å; V67-L86 HydrophobicContact CG2-CD2 4.33Å
68E97.9Very high94Very high32 Ų3257.7 Ų57.715%0.1530%0.301CS..EExtended strand (participates in β ladder)trans-94.9121.2164.1-176.7178.3-116.100108.7R11 C26 F27 I28 Y84 N85 L87R11-E68 IonicContact CZ-OE1 3.31Å; R11-E68 VanDerWaalsContact CZ-OE1 3.31Å; R11-E68 IonicContact NH1-OE1 2.84Å; R11-E68 PolarHBondContact NH1-OE1 3.08Å; R11-E68 IonicContact NH2-OE1 2.84Å; R11-E68 PolarHBondContact NH2-OE1 3.02Å; C26-E68 PolarHBondContact SG-OE1 3.08Å; C26-E68 VanDerWaalsContact SG-OE1 3.37Å; F27-E68 CarbonylContact O-C 3.56Å; I28-E68 HydrophobicContact CD1-CB 4.27Å; I28-E68 HydrophobicContact CD1-CG 4.17Å; I28-E68 HydrophobicContact CG1-CB 3.88Å; I28-E68 HydrophobicContact CG1-CG 3.82Å; E68-Y84 CarbonylContact O-C 3.44Å; E68-Y84 WeakPolarHBondContact O-CA 3.36Å; E68-N85 PolarHBondContact N-O 3.09Å; E68-N85 PolarHBondContact O-N 3.41Å; E68-L87 HydrophobicContact CB-CD2 4.38Å
69V97.8Very high94.3Very high0 Ų054.6 Ų54.60%028%0.281CS..EExtended strand (participates in β ladder)trans-112.2126.3-179.1-177.60000109C26 F27 F41 V53 V67 I79 A81C26-V69 WeakPolarHBondContact CA-O 3.28Å; F27-V69 PolarHBondContact N-O 3.12Å; F27-V69 PolarHBondContact O-N 3.24Å; F41-V69 HydrophobicContact CE2-CG2 4.32Å; F41-V69 HydrophobicContact CZ-CG2 4.03Å; V53-V69 HydrophobicContact CG1-CG1 3.8Å; V53-V69 HydrophobicContact CG1-CG2 4.46Å; V53-V69 HydrophobicContact CG2-CG1 4.45Å; V53-V69 HydrophobicContact CG2-CG2 4.3Å; V67-V69 HydrophobicContact CG1-CG2 4.05Å; V67-V69 HydrophobicContact CG2-CG2 3.99Å; V69-I79 HydrophobicContact CG1-CG2 3.89Å; V69-A81 HydrophobicContact CG1-CB 3.68Å
70I97.8Very high94.6Very high25 Ų2556.3 Ų56.313%0.12829%0.288CS..EExtended strand (participates in β ladder)trans-107.8122.1169.6-63.9171.3000107.7L5 K9 V25 S82 T83L5-I70 HydrophobicContact CD2-CG2 4.31Å; K9-I70 HydrophobicContact CD-CD1 4.35Å; K9-I70 HydrophobicContact CD-CG1 4.49Å; K9-I70 HydrophobicContact CD-CG2 3.56Å; K9-I70 HydrophobicContact CG-CG2 4.08Å; V25-I70 WeakPolarHBondContact O-CA 3.41Å; I70-S82 PolarHBondContact O-N 2.9Å; I70-T83 HydrophobicContact CB-CG2 3.79Å; I70-T83 HydrophobicContact CD1-CG2 4.04Å; I70-T83 HydrophobicContact CG1-CG2 4.34Å; I70-T83 HydrophobicContact CG2-CG2 4.43Å; I70-T83 PolarHBondContact N-O 3.11Å; I70-T83 PolarHBondContact O-N 2.85Å
71G97Very high95.2Very high0 Ų048 Ų480%025%0.25CC..EExtended strand (participates in β ladder)trans-165.2179.8-173.800000113.5I4 A24 V25 M80I4-G71 VanDerWaalsContact CD1-C 3.41Å; A24-G71 CarbonylContact C-O 3.59Å; A24-G71 WeakPolarHBondContact CA-O 3.43Å; V25-G71 PolarHBondContact N-O 3.07Å; V25-G71 PolarHBondContact O-N 2.87Å; G71-M80 CarbonylContact C-O 3.51Å; G71-M80 WeakPolarHBondContact CA-O 3.46Å
72M97.3Very high95.7Very high83 Ų8343.8 Ų43.841%0.40924%0.237SC..EExtended strand (participates in β ladder)trans-104.2132.6174.9-174.9172.9-66.700109.5I4 R23 S74 M80I4-M72 HydrophobicContact CD1-CB 4.04Å; R23-M72 WeakPolarHBondContact O-CA 3.48Å; M72-S74 PolarHBondContact O-N 2.84Å; M72-M80 PolarHBondContact N-O 3.23Å; M72-M80 WeakPolarHBondContact O-CB 3.48Å; M72-M80 PolarHBondContact O-N 3.4Å
73V98Very high96.1Very high0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-73.2125.8174.9-172.80000109.6I12 L17 F20 I21 N22 R23 V25 E78I12-V73 HydrophobicContact CD1-CG2 4.43Å; L17-V73 HydrophobicContact CD2-CG1 4.15Å; L17-V73 HydrophobicContact CD2-CG2 4.02Å; F20-V73 HydrophobicContact CB-CG2 4.05Å; F20-V73 WeakPolarHBondContact O-CB 3.44Å; I21-V73 HydrophobicContact CG1-CG1 4.34Å; N22-V73 WeakPolarHBondContact CA-O 3.49Å; N22-V73 PolarHBondContact N-O 3.37Å; R23-V73 PolarHBondContact O-N 2.82Å; R23-V73 VanDerWaalsContact O-N 3.07Å; V25-V73 HydrophobicContact CB-CG2 4.36Å; V25-V73 HydrophobicContact CG1-CG2 3.76Å; V25-V73 HydrophobicContact CG2-CG2 3.65Å; V73-E78 CarbonylContact C-O 3.58Å; V73-E78 WeakPolarHBondContact CA-O 3.34Å
74S96.9Very high96.2Very high18 Ų1840.7 Ų40.713%0.12622%0.224CC..  trans-76.7166.417986.30000111.6M72 K76 G77 E78M72-S74 PolarHBondContact O-N 2.84Å; S74-K76 PolarHBondContact O-N 2.84Å; S74-K76 VanDerWaalsContact O-N 3.09Å; S74-K76 PolarHBondContact OG-N 2.84Å; S74-K76 VanDerWaalsContact OG-N 3.14Å; S74-G77 PolarHBondContact O-N 3.19Å; S74-E78 PolarHBondContact N-O 2.66Å; S74-E78 PolarHBondContact OG-N 2.69Å
75N95.2Very high96.3Very high122 Ų12241.4 Ų41.465%0.65222%0.222SC*.THydrogen-bonded Turntrans-63.1-12.9173.4-66.1-37.4000113.8I21 N22I21-N75 WeakPolarHBondContact CG2-OD1 3.29Å; N22-N75 PolarHBondContact ND2-OD1 3.17Å; N22-N75 PolarHBondContact OD1-OD1 3.21Å
76K92.9Very high96.2Very high169 Ų16944.2 Ų44.274%0.73523%0.232SC*.THydrogen-bonded Turntrans-93.9-1.3176.4-62.7177.2-178.4172.60113S74 E78S74-K76 PolarHBondContact O-N 2.84Å; S74-K76 VanDerWaalsContact O-N 3.09Å; S74-K76 PolarHBondContact OG-N 2.84Å; S74-K76 VanDerWaalsContact OG-N 3.14Å; K76-E78 HydrophobicContact CB-CG 4.17Å
77G92.4Very high96Very high23 Ų2346.4 Ų46.424%0.23724%0.244CC..SBendtrans78.520.6-17500000113.8S74S74-G77 PolarHBondContact O-N 3.19Å
78E96.9Very high95.4Very high39 Ų3956.4 Ų56.418%0.18228%0.281CS..  trans-98161.6174.5-55.5162.8153.100109.3T52 V73 S74 K76T52-E78 HydrophobicContact CG2-CG 4.36Å; T52-E78 WeakPolarHBondContact O-CA 3.37Å; V73-E78 CarbonylContact C-O 3.58Å; V73-E78 WeakPolarHBondContact CA-O 3.34Å; S74-E78 PolarHBondContact N-O 2.66Å; S74-E78 PolarHBondContact OG-N 2.69Å; K76-E78 HydrophobicContact CB-CG 4.17Å
79I98.4Very high94.6Very high0 Ų057.8 Ų57.80%029%0.288CS..EExtended strand (participates in β ladder)trans-103.4113.7177.9-55173.1000109.2L17 F27 T52 V53 E54 V69 A81L17-I79 HydrophobicContact CD2-CD1 4.08Å; L17-I79 HydrophobicContact CD2-CG1 3.86Å; F27-I79 HydrophobicContact CB-CD1 3.53Å; F27-I79 HydrophobicContact CD1-CD1 4.18Å; F27-I79 HydrophobicContact CD2-CD1 3.61Å; F27-I79 HydrophobicContact CE2-CD1 4.35Å; F27-I79 HydrophobicContact CG-CD1 3.5Å; F27-I79 VanDerWaalsContact CG-CD1 3.5Å; T52-I79 PolarHBondContact O-N 3.43Å; V53-I79 CarbonylContact C-O 3.19Å; V53-I79 WeakPolarHBondContact CA-O 3.27Å; V53-I79 HydrophobicContact CG2-CB 4.35Å; E54-I79 PolarHBondContact N-O 3.1Å; V69-I79 HydrophobicContact CG1-CG2 3.89Å; I79-A81 PolarHBondContact O-N 3.16Å
80M97.7Very high93.5Very high65 Ų6563.2 Ų63.232%0.3232%0.317SS..EExtended strand (participates in β ladder)trans-78.695.4169.8-54.9-57.4-62.300108.5E54 G71 M72E54-M80 HydrophobicContact CB-CE 4.04Å; E54-M80 HydrophobicContact CB-SD 3.86Å; E54-M80 HydrophobicContact CG-SD 4.23Å; E54-M80 VanDerWaalsContact OE2-CE 3.32Å; E54-M80 WeakPolarHBondContact OE2-CE 3.41Å; G71-M80 CarbonylContact C-O 3.51Å; G71-M80 WeakPolarHBondContact CA-O 3.46Å; M72-M80 PolarHBondContact N-O 3.23Å; M72-M80 WeakPolarHBondContact O-CB 3.48Å; M72-M80 PolarHBondContact O-N 3.4Å
81A97.1Very high92.6Very high4 Ų470.7 Ų70.73%0.03335%0.348CS..EExtended strand (participates in β ladder)trans-70.5132.8-17500000111.6V53 E54 L55 V69 I79V53-A81 HydrophobicContact CG1-CB 3.6Å; E54-A81 WeakPolarHBondContact O-CB 3.15Å; E54-A81 PolarHBondContact O-N 2.87Å; L55-A81 HydrophobicContact CD2-CB 3.72Å; V69-A81 HydrophobicContact CG1-CB 3.68Å; I79-A81 PolarHBondContact O-N 3.16Å
82S95.2Very high91.7Very high66 Ų6674 Ų7446%0.46238%0.383SS..EExtended strand (participates in β ladder)trans-99.8-32.2170-58.90000111.6I4 I70I4-S82 WeakPolarHBondContact CG2-OG 3.47Å; I70-S82 PolarHBondContact O-N 2.9Å
83T94.4Very high91.3Very high51 Ų5175.2 Ų75.231%0.31340%0.395SS..EExtended strand (participates in β ladder)trans-153.1156.5169.8-176.20000109.7L5 I70L5-T83 HydrophobicContact CD2-CG2 4.14Å; I70-T83 HydrophobicContact CB-CG2 3.79Å; I70-T83 HydrophobicContact CD1-CG2 4.04Å; I70-T83 HydrophobicContact CG1-CG2 4.34Å; I70-T83 HydrophobicContact CG2-CG2 4.43Å; I70-T83 PolarHBondContact N-O 3.11Å; I70-T83 PolarHBondContact O-N 2.85Å
84Y95.3Very high90.9Very high69 Ų6979.8 Ų79.827%0.27142%0.424SS..EExtended strand (participates in β ladder)trans-140149.7172.465.8-90.1000109.9L55 L63 V67 E68L55-Y84 HydrophobicContact CD1-CE1 4.36Å; L55-Y84 HydrophobicContact CD2-CD1 3.67Å; L55-Y84 HydrophobicContact CD2-CE1 3.84Å; L63-Y84 HydrophobicContact CD1-CD2 3.7Å; L63-Y84 HydrophobicContact CD1-CE2 3.47Å; L63-Y84 VanDerWaalsContact CD1-CE2 3.47Å; V67-Y84 HydrophobicContact CG2-CD2 4.1Å; V67-Y84 HydrophobicContact CG2-CG 4.39Å; E68-Y84 CarbonylContact O-C 3.44Å; E68-Y84 WeakPolarHBondContact O-CA 3.36Å
85N94.3Very high90.8Very high82 Ų8281.8 Ų81.844%0.43943%0.431SS..EExtended strand (participates in β ladder)trans-132.1130.3178-66-49.5000109.7V67 E68V67-N85 WeakPolarHBondContact CA-O 3.49Å; E68-N85 PolarHBondContact N-O 3.09Å; E68-N85 PolarHBondContact O-N 3.41Å
86L94.3Very high90.8Very high79 Ų7980.2 Ų80.241%0.41442%0.422SS..EExtended strand (participates in β ladder)trans-74.2126.7169.8-67179.2000109.8L63 S64 V67L63-L86 HydrophobicContact CD1-CD2 3.64Å; L63-L86 HydrophobicContact CD1-CG 4.26Å; L63-L86 HydrophobicContact CG-CD2 4.45Å; S64-L86 WeakPolarHBondContact O-CD2 3.46Å; V67-L86 HydrophobicContact CB-CD2 4.18Å; V67-L86 HydrophobicContact CG2-CD2 4.33Å
87L92.4Very high91Very high48 Ų4873.1 Ų73.125%0.25139%0.392SS..PPolyproline II helixtrans-82.1129.2174.1-61.7-170.9000109.3I28 I66 E68 E89 F95I28-L87 HydrophobicContact CD1-CD1 4.06Å; I28-L87 HydrophobicContact CG2-CD1 4.16Å; I66-L87 HydrophobicContact CB-CB 4.24Å; I66-L87 HydrophobicContact CG2-CB 4.11Å; I66-L87 HydrophobicContact CG2-CD1 3.76Å; I66-L87 HydrophobicContact CG2-CG 4.13Å; I66-L87 PolarHBondContact O-N 3.04Å; E68-L87 HydrophobicContact CB-CD2 4.38Å; L87-E89 PolarHBondContact O-N 3.03Å; L87-F95 HydrophobicContact CD1-CD2 3.94Å; L87-F95 HydrophobicContact CD1-CE2 3.62Å; L87-F95 HydrophobicContact CD1-CZ 4.09Å
88R84.8Confident91.3Very high209 Ų20978.9 Ų78.979%0.78941%0.413SS*.PPolyproline II helixtrans-70.4125.9-176.9-66.9-171.7-176.6-170.52111.3
89E81.3Confident91.4Very high62 Ų6282.4 Ų82.429%0.2943%0.432SS..  trans-108.211.6170.4-58.8-17210000111.6R30 L87 K91 F95R30-E89 IonicContact NH1-OE2 3.65Å; R30-E89 IonicContact NH2-OE1 3.52Å; L87-E89 PolarHBondContact O-N 3.03Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.13Å; E89-F95 PolarHBondContact OE1-N 3.12Å
90D73.1Confident91.3Very high113 Ų11384 Ų8460%0.60444%0.439SS*.THydrogen-bonded Turntrans-71.3-12.3-16865-19.1000115.7
91K79Confident91.4Very high182 Ų18281 Ų8179%0.79142%0.424SS*.THydrogen-bonded Turntrans-94.212.8-178.8-66.5-175.9-179.1179.50114.4E89 V93E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.13Å; K91-V93 PolarHBondContact O-N 3.46Å
92G79.7Confident91.4Very high70 Ų7085.4 Ų85.472%0.72244%0.444SS*.SBendtrans72.29-179.300000114.3
93V87.3Confident91.6Very high109 Ų10984.2 Ų84.266%0.66144%0.439SS*.  trans-105.8105.7170.3-177.90000107K91K91-V93 PolarHBondContact O-N 3.46Å
94P90.5Very high91.7Very high95 Ų9582 Ų8262%0.61742%0.424SS*.  trans-66.1149.217728.8-33.9000109.9D96P94-D96 PolarHBondContact O-N 3.4Å
95F94.9Very high91.8Very high61 Ų6182 Ų8227%0.26843%0.426SS..  trans-75.6119.8174.3-175.3-83.3000109.4I28 I66 L87 E89 L97 Y100I28-F95 HydrophobicContact CG2-CE1 4.01Å; I28-F95 HydrophobicContact CG2-CZ 4.1Å; I66-F95 HydrophobicContact CG1-CB 3.95Å; I66-F95 HydrophobicContact CG1-CD1 4.21Å; I66-F95 HydrophobicContact CG1-CG 4.3Å; I66-F95 HydrophobicContact CG2-CD1 4.05Å; I66-F95 HydrophobicContact CG2-CE1 4.36Å; I66-F95 HydrophobicContact CG2-CG 4.26Å; L87-F95 HydrophobicContact CD1-CD2 3.94Å; L87-F95 HydrophobicContact CD1-CE2 3.62Å; L87-F95 HydrophobicContact CD1-CZ 4.09Å; E89-F95 PolarHBondContact OE1-N 3.12Å; F95-L97 HydrophobicContact CD1-CB 4.33Å; F95-L97 HydrophobicContact CD1-CD1 4.22Å; F95-L97 HydrophobicContact CE1-CD1 3.8Å; F95-L97 PolarHBondContact O-N 3.48Å; F95-L97 VanDerWaalsContact O-N 3.15Å; F95-Y100 HydrophobicContact CE1-CG 4.07Å; F95-Y100 AromaticContact CZ-CD2 3.95Å; F95-Y100 HydrophobicContact CZ-CD2 3.95Å; F95-Y100 AromaticContact CZ-CG 3.95Å; F95-Y100 HydrophobicContact CZ-CG 3.95Å
96D95.8Very high91.9Very high89 Ų8982 Ų8248%0.47643%0.429SS..  trans-80.994.6178.2-169.2-23.2000110.3P94 E98 L99 Y100P94-D96 PolarHBondContact O-N 3.4Å; D96-E98 VanDerWaalsContact C-N 3.34Å; D96-E98 PolarHBondContact OD1-N 3.18Å; D96-L99 HydrophobicContact CB-CB 3.88Å; D96-L99 WeakPolarHBondContact OD1-CB 3.36Å; D96-L99 PolarHBondContact OD1-N 3.25Å; D96-Y100 WeakPolarHBondContact O-CB 3.38Å; D96-Y100 PolarHBondContact O-N 3.22Å
97L97.1Very high92Very high19 Ų1979.5 Ų79.510%0.09942%0.415CS..Hα-helixtrans-72.3-28.6-177.5-16664.7000112.3I28 R30 M44 G46 I66 F95 Y100 N101I28-L97 HydrophobicContact CG2-CD1 3.95Å; R30-L97 HydrophobicContact CB-CD2 4.38Å; M44-L97 WeakPolarHBondContact O-CD2 3.38Å; G46-L97 WeakPolarHBondContact CA-O 3.35Å; I66-L97 HydrophobicContact CD1-CD2 4.38Å; F95-L97 HydrophobicContact CD1-CB 4.33Å; F95-L97 HydrophobicContact CD1-CD1 4.22Å; F95-L97 HydrophobicContact CE1-CD1 3.8Å; F95-L97 PolarHBondContact O-N 3.48Å; F95-L97 VanDerWaalsContact O-N 3.15Å; L97-Y100 HydrophobicContact CD1-CD1 4.26Å; L97-Y100 PolarHBondContact O-N 3.17Å; L97-N101 PolarHBondContact O-N 3.32Å
98E98Very high92.1Very high144 Ų14479.7 Ų79.767%0.67342%0.415SS*.Hα-helixtrans-69-46.9175.8-64.7-178.3-173.100109.8D96 Y100 N101 E102D96-E98 VanDerWaalsContact C-N 3.34Å; D96-E98 PolarHBondContact OD1-N 3.18Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 3.45Å; E98-N101 WeakPolarHBondContact O-CB 3.28Å; E98-N101 PolarHBondContact O-N 3.35Å; E98-N101 VanDerWaalsContact O-N 3.1Å; E98-E102 PolarHBondContact O-N 3.04Å
99L98.1Very high92.7Very high113 Ų11375.3 Ų75.359%0.59241%0.407SS*.Hα-helixtrans-61.5-40.1173.6-179.162.4000112D96 N101 E102 A103D96-L99 HydrophobicContact CB-CB 3.88Å; D96-L99 WeakPolarHBondContact OD1-CB 3.36Å; D96-L99 PolarHBondContact OD1-N 3.25Å; L99-N101 VanDerWaalsContact C-N 3.29Å; L99-N101 PolarHBondContact O-N 2.96Å; L99-E102 PolarHBondContact O-N 2.93Å; L99-A103 PolarHBondContact O-N 3.47Å
100Y98.2Very high93.3Very high33 Ų3377.2 Ų77.213%0.12942%0.415CS..Hα-helixtrans-59.1-41.9173.4177.6-101.1000111.7R11 I28 F95 D96 L97 E98 E102 A103 L104R11-Y100 WeakPolarHBondContact CD-OH 3.12Å; R11-Y100 PolarHBondContact NH1-OH 2.9Å; R11-Y100 VanDerWaalsContact NH1-OH 3.08Å; I28-Y100 HydrophobicContact CB-CD1 4.24Å; I28-Y100 HydrophobicContact CB-CE1 3.65Å; I28-Y100 HydrophobicContact CD1-CE1 4.23Å; I28-Y100 HydrophobicContact CD1-CE2 3.8Å; I28-Y100 WeakPolarHBondContact CD1-OH 3.36Å; I28-Y100 HydrophobicContact CG1-CE1 4.19Å; I28-Y100 HydrophobicContact CG2-CE1 4.4Å; F95-Y100 HydrophobicContact CE1-CG 4.07Å; F95-Y100 AromaticContact CZ-CD2 3.95Å; F95-Y100 HydrophobicContact CZ-CD2 3.95Å; F95-Y100 AromaticContact CZ-CG 3.95Å; F95-Y100 HydrophobicContact CZ-CG 3.95Å; D96-Y100 WeakPolarHBondContact O-CB 3.38Å; D96-Y100 PolarHBondContact O-N 3.22Å; L97-Y100 HydrophobicContact CD1-CD1 4.26Å; L97-Y100 PolarHBondContact O-N 3.17Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 3.45Å; Y100-E102 VanDerWaalsContact C-N 3.35Å; Y100-E102 PolarHBondContact O-N 3.37Å; Y100-A103 WeakPolarHBondContact O-CB 3.25Å; Y100-A103 PolarHBondContact O-N 2.85Å; Y100-A103 VanDerWaalsContact O-N 3.13Å; Y100-L104 HydrophobicContact CD1-CD1 4.23Å; Y100-L104 HydrophobicContact CD1-CG 4.27Å; Y100-L104 HydrophobicContact CE1-CD1 3.73Å; Y100-L104 HydrophobicContact CE1-CD2 3.87Å; Y100-L104 HydrophobicContact CE1-CG 3.86Å; Y100-L104 HydrophobicContact CE2-CD2 4.36Å; Y100-L104 WeakPolarHBondContact O-CG 3.35Å; Y100-L104 PolarHBondContact O-N 3.28Å
101N98.4Very high94.3Very high3 Ų375 Ų752%0.01641%0.407CS..Hα-helixtrans-63.9-37.9176.6-175.873.8000112.5N13 E47 L97 E98 L99 A103 L104 K105N13-N101 PolarHBondContact ND2-OD1 2.94Å; E47-N101 WeakPolarHBondContact CG-ND2 3.49Å; E47-N101 PolarHBondContact OE1-ND2 2.83Å; L97-N101 PolarHBondContact O-N 3.32Å; E98-N101 WeakPolarHBondContact O-CB 3.28Å; E98-N101 PolarHBondContact O-N 3.35Å; E98-N101 VanDerWaalsContact O-N 3.1Å; L99-N101 VanDerWaalsContact C-N 3.29Å; L99-N101 PolarHBondContact O-N 2.96Å; N101-A103 VanDerWaalsContact C-N 3.31Å; N101-A103 PolarHBondContact O-N 3.05Å; N101-L104 WeakPolarHBondContact O-CB 3.37Å; N101-L104 PolarHBondContact O-N 3.38Å; N101-K105 VanDerWaalsContact ND2-CE 3.34Å; N101-K105 WeakPolarHBondContact ND2-CE 3.16Å; N101-K105 PolarHBondContact O-N 2.84Å
102E98.4Very high95Very high96 Ų9672 Ų7245%0.44940%0.396SS..Hα-helixtrans-62.1-39.2171.6-64.3-51.5118.500111.8E98 L99 Y100 L104 K105 V106E98-E102 PolarHBondContact O-N 3.04Å; L99-E102 PolarHBondContact O-N 2.93Å; Y100-E102 VanDerWaalsContact C-N 3.35Å; Y100-E102 PolarHBondContact O-N 3.37Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 3.49Å; E102-K105 WeakPolarHBondContact O-CB 3.39Å; E102-K105 PolarHBondContact O-N 2.55Å; E102-K105 IonicContact OE1-NZ 2.69Å; E102-K105 PolarHBondContact OE1-NZ 3.07Å; E102-K105 IonicContact OE2-NZ 3.77Å; E102-V106 WeakPolarHBondContact O-CG2 3.41Å; E102-V106 PolarHBondContact O-N 2.71Å; E102-V106 VanDerWaalsContact O-N 3.12Å
103A98.2Very high95.7Very high42 Ų4275.9 Ų75.935%0.34739%0.394SS..Hα-helixtrans-62.8-36174.100000112.4L99 Y100 N101 V106 I107L99-A103 PolarHBondContact O-N 3.47Å; Y100-A103 WeakPolarHBondContact O-CB 3.25Å; Y100-A103 PolarHBondContact O-N 2.85Å; Y100-A103 VanDerWaalsContact O-N 3.13Å; N101-A103 VanDerWaalsContact C-N 3.31Å; N101-A103 PolarHBondContact O-N 3.05Å; A103-V106 PolarHBondContact O-N 3.22Å; A103-I107 VanDerWaalsContact O-CG1 3.28Å; A103-I107 WeakPolarHBondContact O-CG1 3.33Å; A103-I107 PolarHBondContact O-N 2.81Å
104L97.5Very high96Very high3 Ų375.5 Ų75.52%0.01638%0.382CS..Hα-helixtrans-60.6-46.3173.7-62.7-176.7000111.3R11 N13 Y100 N101 E102 V106 I107 H108R11-L104 HydrophobicContact CB-CD2 3.46Å; R11-L104 VanDerWaalsContact CB-CD2 3.46Å; N13-L104 HydrophobicContact CB-CD1 3.91Å; Y100-L104 HydrophobicContact CD1-CD1 4.23Å; Y100-L104 HydrophobicContact CD1-CG 4.27Å; Y100-L104 HydrophobicContact CE1-CD1 3.73Å; Y100-L104 HydrophobicContact CE1-CD2 3.87Å; Y100-L104 HydrophobicContact CE1-CG 3.86Å; Y100-L104 HydrophobicContact CE2-CD2 4.36Å; Y100-L104 WeakPolarHBondContact O-CG 3.35Å; Y100-L104 PolarHBondContact O-N 3.28Å; N101-L104 WeakPolarHBondContact O-CB 3.37Å; N101-L104 PolarHBondContact O-N 3.38Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 3.49Å; L104-V106 VanDerWaalsContact C-N 3.32Å; L104-V106 PolarHBondContact O-N 3.04Å; L104-I107 PolarHBondContact O-N 3.48Å; L104-H108 PolarHBondContact O-CD2 3.34Å; L104-H108 PolarHBondContact O-N 3.4Å
105K96.3Very high95.9Very high69 Ų6974.9 Ų74.930%0.338%0.378SS..Hα-helixtrans-56.2-48.4177.2-64.8172.2-175.4167.40110.8E47 N101 E102 I107 H108 D109E47-K105 VanDerWaalsContact OE1-CE 3.27Å; E47-K105 WeakPolarHBondContact OE1-CE 3.34Å; E47-K105 IonicContact OE1-NZ 3.43Å; E47-K105 PolarHBondContact OE1-NZ 2.94Å; N101-K105 VanDerWaalsContact ND2-CE 3.34Å; N101-K105 WeakPolarHBondContact ND2-CE 3.16Å; N101-K105 PolarHBondContact O-N 2.84Å; E102-K105 WeakPolarHBondContact O-CB 3.39Å; E102-K105 PolarHBondContact O-N 2.55Å; E102-K105 IonicContact OE1-NZ 2.69Å; E102-K105 PolarHBondContact OE1-NZ 3.07Å; E102-K105 IonicContact OE2-NZ 3.77Å; K105-I107 PolarHBondContact O-N 3.36Å; K105-H108 PolarHBondContact O-N 3.37Å; K105-D109 WeakPolarHBondContact O-CB 3.47Å; K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.15Å
106V97.6Very high95.3Very high82 Ų8274.3 Ų74.350%0.49738%0.375SS..Hα-helixtrans-58.9-45.6177.1177.10000111.8E102 A103 L104 H108 D109 F110E102-V106 WeakPolarHBondContact O-CG2 3.41Å; E102-V106 PolarHBondContact O-N 2.71Å; E102-V106 VanDerWaalsContact O-N 3.12Å; A103-V106 PolarHBondContact O-N 3.22Å; L104-V106 VanDerWaalsContact C-N 3.32Å; L104-V106 PolarHBondContact O-N 3.04Å; V106-H108 VanDerWaalsContact C-N 3.28Å; V106-H108 PolarHBondContact O-N 3.4Å; V106-D109 PolarHBondContact O-N 2.76Å; V106-F110 HydrophobicContact CG1-CD2 3.97Å; V106-F110 WeakPolarHBondContact O-CD2 2.95Å; V106-F110 PolarHBondContact O-N 2.97Å
107I96.3Very high94.1Very high27 Ų2778.2 Ų78.214%0.13839%0.391CS..Hα-helixtrans-62.7-36.7-178.9-72.6166.3000111.6A103 L104 K105 Y114 F116A103-I107 VanDerWaalsContact O-CG1 3.28Å; A103-I107 WeakPolarHBondContact O-CG1 3.33Å; A103-I107 PolarHBondContact O-N 2.81Å; L104-I107 PolarHBondContact O-N 3.48Å; K105-I107 PolarHBondContact O-N 3.36Å; I107-Y114 HydrophobicContact CB-CD1 4.46Å; I107-Y114 HydrophobicContact CB-CG 4.44Å; I107-Y114 HydrophobicContact CD1-CD1 4.49Å; I107-Y114 HydrophobicContact CD1-CD2 4.37Å; I107-Y114 HydrophobicContact CD1-CE1 4.46Å; I107-Y114 HydrophobicContact CD1-CE2 4.33Å; I107-Y114 HydrophobicContact CD1-CG 4.44Å; I107-Y114 HydrophobicContact CG1-CD1 4.34Å; I107-Y114 HydrophobicContact CG1-CD2 4.22Å; I107-Y114 HydrophobicContact CG1-CG 4.03Å; I107-Y114 HydrophobicContact CG2-CD1 3.35Å; I107-Y114 HydrophobicContact CG2-CE1 4.03Å; I107-Y114 HydrophobicContact CG2-CG 3.72Å; I107-F116 HydrophobicContact CG2-CE1 4.19Å; I107-F116 HydrophobicContact CG2-CE2 3.54Å; I107-F116 HydrophobicContact CG2-CZ 3.21Å
108H94.9Very high92Very high53 Ų5381.9 Ų81.925%0.24541%0.414CS..Hα-helixtrans-81.3-29.4177.9-74-75.6000113.8R11 M16 L104 K105 V106 F110 P111R11-H108 PolarHBondContact O-NE2 3.19Å; M16-H108 HydrophobicContact CE-CB 4.39Å; L104-H108 PolarHBondContact O-CD2 3.34Å; L104-H108 PolarHBondContact O-N 3.4Å; K105-H108 PolarHBondContact O-N 3.37Å; V106-H108 VanDerWaalsContact C-N 3.28Å; V106-H108 PolarHBondContact O-N 3.4Å; H108-F110 VanDerWaalsContact C-N 3.34Å; H108-P111 WeakPolarHBondContact O-CD 3.31Å
109D95.8Very high89.4Confident117 Ų11779.2 Ų79.263%0.62642%0.416SS*.Hα-helixtrans-73.5-27.9174.5-74.2-13.7000112K105 V106 P111K105-D109 WeakPolarHBondContact O-CB 3.47Å; K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.15Å; V106-D109 PolarHBondContact O-N 2.76Å; D109-P111 WeakPolarHBondContact O-CD 3.44Å
110F95.4Very high86.6Confident102 Ų10278.4 Ų78.445%0.44743%0.426SS..  trans-125.657.4-176.9-58.9-80.8000113.5V106 H108 Q112 H113 Y114V106-F110 HydrophobicContact CG1-CD2 3.97Å; V106-F110 WeakPolarHBondContact O-CD2 2.95Å; V106-F110 PolarHBondContact O-N 2.97Å; H108-F110 VanDerWaalsContact C-N 3.34Å; F110-Q112 PolarHBondContact O-N 2.94Å; F110-Q112 VanDerWaalsContact O-N 3.07Å; F110-H113 PolarHBondContact O-N 3.43Å; F110-Y114 PolarHBondContact O-N 3.39Å
111P92.8Very high83.9Confident67 Ų6782.6 Ų82.644%0.43546%0.46SS..THydrogen-bonded Turntrans-63.3-20.9-174.227.7-36.1000113.6H108 D109 H113 Y114 P115H108-P111 WeakPolarHBondContact O-CD 3.31Å; D109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-H113 PolarHBondContact O-N 3.41Å; P111-Y114 CarbonylContact O-C 3.46Å; P111-Y114 PolarHBondContact O-N 3.07Å; P111-P115 VanDerWaalsContact O-CA 3.31Å; P111-P115 WeakPolarHBondContact O-CA 3.48Å; P111-P115 VanDerWaalsContact O-N 3.15Å
112Q93.3Very high80.9Confident119 Ų11989.4 Ų89.456%0.55653%0.531SS*.THydrogen-bonded Turntrans-66.8-23.5173.569.6-80.38.200113.5F110F110-Q112 PolarHBondContact O-N 2.94Å; F110-Q112 VanDerWaalsContact O-N 3.07Å
113H94.8Very high80Confident150 Ų15089.1 Ų89.169%0.69454%0.535SS*.THydrogen-bonded Turntrans-98.4-15.5178.8-61.8-49.2000112.4F110 P111F110-H113 PolarHBondContact O-N 3.43Å; P111-H113 PolarHBondContact O-N 3.41Å
114Y93.7Very high79.1Confident101 Ų10191.6 Ų91.640%0.39655%0.545SS..SBendtrans-135.470.5173.3-161.6-84.5000110.1I107 F110 P111 F116I107-Y114 HydrophobicContact CB-CD1 4.46Å; I107-Y114 HydrophobicContact CB-CG 4.44Å; I107-Y114 HydrophobicContact CD1-CD1 4.49Å; I107-Y114 HydrophobicContact CD1-CD2 4.37Å; I107-Y114 HydrophobicContact CD1-CE1 4.46Å; I107-Y114 HydrophobicContact CD1-CE2 4.33Å; I107-Y114 HydrophobicContact CD1-CG 4.44Å; I107-Y114 HydrophobicContact CG1-CD1 4.34Å; I107-Y114 HydrophobicContact CG1-CD2 4.22Å; I107-Y114 HydrophobicContact CG1-CG 4.03Å; I107-Y114 HydrophobicContact CG2-CD1 3.35Å; I107-Y114 HydrophobicContact CG2-CE1 4.03Å; I107-Y114 HydrophobicContact CG2-CG 3.72Å; F110-Y114 PolarHBondContact O-N 3.39Å; P111-Y114 CarbonylContact O-C 3.46Å; P111-Y114 PolarHBondContact O-N 3.07Å; Y114-F116 HydrophobicContact CD1-CD1 4.06Å; Y114-F116 AromaticContact CD1-CE1 3.63Å; Y114-F116 HydrophobicContact CD1-CE1 3.63Å; Y114-F116 HydrophobicContact CD1-CE2 4.2Å; Y114-F116 AromaticContact CD1-CZ 3.74Å; Y114-F116 HydrophobicContact CD1-CZ 3.74Å; Y114-F116 AromaticContact CE1-CD1 3.87Å; Y114-F116 HydrophobicContact CE1-CD1 3.87Å; Y114-F116 AromaticContact CE1-CE1 3.35Å; Y114-F116 HydrophobicContact CE1-CE1 3.35Å; Y114-F116 AromaticContact CE1-CZ 3.87Å; Y114-F116 HydrophobicContact CE1-CZ 3.87Å; Y114-F116 PolarHBondContact O-N 3.12Å
115P89.4Confident78.1Confident82 Ų8296.5 Ų96.553%0.53258%0.575SS.*  trans-71.2118.8-176.227.8-33.7000110.5P111 Q117P111-P115 VanDerWaalsContact O-CA 3.31Å; P111-P115 WeakPolarHBondContact O-CA 3.48Å; P111-P115 VanDerWaalsContact O-N 3.15Å; P115-Q117 HydrophobicContact CB-CG 4.44Å; P115-Q117 PolarHBondContact O-N 3.22Å; P115-Q117 VanDerWaalsContact O-N 3.12Å
116F80.5Confident77Confident50 Ų5098.1 Ų98.122%0.21959%0.591CS.*  trans-77.519.6171-60.9-75.2000113P8 P10 I107 Y114 V118P8-F116 WeakPolarHBondContact CB-O 2.99Å; P8-F116 WeakPolarHBondContact CG-O 3.26Å; P10-F116 VanDerWaalsContact CA-CE1 3.49Å; P10-F116 HydrophobicContact CB-CD1 4.11Å; P10-F116 HydrophobicContact CB-CD2 4.37Å; P10-F116 HydrophobicContact CB-CE1 4.1Å; P10-F116 HydrophobicContact CB-CE2 4.37Å; P10-F116 HydrophobicContact CB-CG 4.21Å; P10-F116 HydrophobicContact CB-CZ 4.2Å; P10-F116 HydrophobicContact CG-CB 4.19Å; P10-F116 HydrophobicContact CG-CD1 4.24Å; P10-F116 HydrophobicContact CG-CG 4.11Å; I107-F116 HydrophobicContact CG2-CE1 4.19Å; I107-F116 HydrophobicContact CG2-CE2 3.54Å; I107-F116 HydrophobicContact CG2-CZ 3.21Å; Y114-F116 HydrophobicContact CD1-CD1 4.06Å; Y114-F116 AromaticContact CD1-CE1 3.63Å; Y114-F116 HydrophobicContact CD1-CE1 3.63Å; Y114-F116 HydrophobicContact CD1-CE2 4.2Å; Y114-F116 AromaticContact CD1-CZ 3.74Å; Y114-F116 HydrophobicContact CD1-CZ 3.74Å; Y114-F116 AromaticContact CE1-CD1 3.87Å; Y114-F116 HydrophobicContact CE1-CD1 3.87Å; Y114-F116 AromaticContact CE1-CE1 3.35Å; Y114-F116 HydrophobicContact CE1-CE1 3.35Å; Y114-F116 AromaticContact CE1-CZ 3.87Å; Y114-F116 HydrophobicContact CE1-CZ 3.87Å; Y114-F116 PolarHBondContact O-N 3.12Å; F116-V118 PolarHBondContact O-N 3.45Å
117Q71.1Confident75.7Confident170 Ų17099.1 Ų99.179%0.79460%0.597SS**  trans-61.6136-167.3-82.7-176.50.400113.2P115P115-Q117 HydrophobicContact CB-CG 4.44Å; P115-Q117 PolarHBondContact O-N 3.22Å; P115-Q117 VanDerWaalsContact O-N 3.12Å
118V53.4Low74.3Confident97 Ų97103.9 Ų103.959%0.58863%0.627SS**  trans-64.3131155.4-170.70000105.3P8 F116 A120P8-V118 HydrophobicContact CG-CB 4.2Å; P8-V118 HydrophobicContact CG-CG2 3.66Å; F116-V118 PolarHBondContact O-N 3.45Å; V118-A120 PolarHBondContact O-N 2.93Å
119A43.3Very low72.8Confident87 Ų87107.6 Ų107.672%0.71965%0.654SS**  trans-49.6115.8163.800000107.4S121A119-S121 PolarHBondContact O-N 2.96Å
120A39.3Very low71.1Confident97 Ų97106.8 Ų106.880%0.80266%0.657SS**  trans-57.5111.3173.400000106.8V118 G122V118-A120 PolarHBondContact O-N 2.93Å; A120-G122 VanDerWaalsContact C-N 3.32Å; A120-G122 PolarHBondContact O-N 2.92Å
121S42.3Very low69.1Low121 Ų121107.3 Ų107.385%0.84667%0.674SS**  trans-61.9100.9166.5-44.50000106.6A119A119-S121 PolarHBondContact O-N 2.96Å
122G34.9Very low66.9Low146 Ų146110.9 Ų110.9100%1.50570%0.696SS**  trans-74.30157.500000111A120A120-G122 VanDerWaalsContact C-N 3.32Å; A120-G122 PolarHBondContact O-N 2.92Å

Retrieved 122 of 122 residues in 138.7 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).