G4VR79_SCHMA Loading...

Putative ob fold nucleic acid binding protein

AlphaFold DB , UniProt , Accession G4VR79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 138 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low67.1Low242 Ų242113.3 Ų113.3100%1.19260%0.596SS**  0106.70-154.8152.3110.800105.3E3M1-E3 PolarHBondContact O-N 2.7Å; M1-E3 VanDerWaalsContact O-N 3.16Å
2G43.2Very low69.7Low70 Ų70112.2 Ų112.272%0.72258%0.583SS**  trans-69112.7-174.100000109.3T4G2-T4 VanDerWaalsContact C-N 3.29Å; G2-T4 PolarHBondContact O-N 3.24Å
3E43.7Very low71.9Confident193 Ų193108.8 Ų108.890%0.90257%0.566SS**  trans-59.9100.4162.8-70.7179.2176.600106.2M1 K5M1-E3 PolarHBondContact O-N 2.7Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 2.87Å
4T48.5Very low73.8Confident120 Ų120101.3 Ų101.374%0.73653%0.527SS*.  trans-70.5104.5172-45.40000103.5G2 D6G2-T4 VanDerWaalsContact C-N 3.29Å; G2-T4 PolarHBondContact O-N 3.24Å; T4-D6 VanDerWaalsContact C-N 3.31Å; T4-D6 PolarHBondContact O-N 3.34Å
5K50.4Low75.3Confident197 Ų197102.3 Ų102.386%0.85753%0.525SS*.  trans-54.9102173.8-170.4178.5-175.3179.80105.8E3 Q7E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 2.87Å; K5-Q7 VanDerWaalsContact C-N 3.28Å; K5-Q7 PolarHBondContact O-N 2.8Å
6D61.2Low76.7Confident96 Ų9697.7 Ų97.751%0.51350%0.504SS..  trans-62.897.5-178.7-97.6-27.9000106.8T4 S8T4-D6 VanDerWaalsContact C-N 3.31Å; T4-D6 PolarHBondContact O-N 3.34Å; D6-S8 PolarHBondContact O-N 3.32Å
7Q71.4Confident77.8Confident131 Ų13195.9 Ų95.961%0.61250%0.496SS*.  trans-69.8102.4177.6-176.5175.25.600106.7K5 Y9K5-Q7 VanDerWaalsContact C-N 3.28Å; K5-Q7 PolarHBondContact O-N 2.8Å; Q7-Y9 HydrophobicContact CG-CE2 4.29Å; Q7-Y9 WeakPolarHBondContact O-CD2 3.27Å
8S88.7Confident78.8Confident71 Ų7192.7 Ų92.750%0.49748%0.479SS..BIsolated β-bridgetrans-73.6129.3171.9-169.70000109.4D6 S22D6-S8 PolarHBondContact O-N 3.32Å; S8-S22 CarbonylContact C-O 3.59Å; S8-S22 VanDerWaalsContact CA-O 3.32Å; S8-S22 WeakPolarHBondContact CA-O 3.39Å
9Y96.7Very high79.7Confident59 Ų5996.8 Ų96.823%0.23149%0.493CS..PPolyproline II helixtrans-94.4143.4172.7-70.7-96.8000109.7Q7 D13 M18 V21 S22 C23Q7-Y9 HydrophobicContact CG-CE2 4.29Å; Q7-Y9 WeakPolarHBondContact O-CD2 3.27Å; Y9-D13 HydrophobicContact CD1-CB 4.19Å; Y9-M18 HydrophobicContact CD1-CE 3.74Å; Y9-M18 HydrophobicContact CE1-CE 3.35Å; Y9-M18 HydrophobicContact CG-CE 4.48Å; Y9-V21 HydrophobicContact CD2-CB 4.32Å; Y9-V21 HydrophobicContact CD2-CG1 4.44Å; Y9-V21 HydrophobicContact CE2-CG1 4.49Å; Y9-S22 PolarHBondContact N-O 2.83Å; Y9-C23 PolarHBondContact O-SG 2.92Å; Y9-C23 VanDerWaalsContact O-SG 3.41Å
10F98.2Very high80.4Confident67 Ų67101.6 Ų101.629%0.29450%0.504SS..PPolyproline II helixtrans-75154.8158.3-65.2-65.6000109.8K12 D13 D49 R50 T51F10-K12 HydrophobicContact CB-CG 3.9Å; F10-K12 PolarHBondContact O-N 2.96Å; F10-D13 WeakPolarHBondContact CB-OD2 3.2Å; F10-D13 WeakPolarHBondContact O-CB 3.35Å; F10-D13 PolarHBondContact O-N 3.02Å; F10-D49 WeakPolarHBondContact CA-OD2 3.35Å; F10-R50 HydrophobicContact CD1-CG 4.41Å; F10-R50 HydrophobicContact CE1-CG 4.36Å; F10-T51 HydrophobicContact CB-CG2 3.73Å; F10-T51 HydrophobicContact CD1-CG2 3.84Å; F10-T51 HydrophobicContact CG-CG2 3.76Å
11L98.7Very high81.1Confident0 Ų096.8 Ų96.80%048%0.48CS..G310 helixtrans-58.5-36.4179-61.8-176.7000111.9D13 L14 C23 F25 V47 D49 I54 L88 F112L11-D13 PolarHBondContact O-N 2.87Å; L11-L14 HydrophobicContact CD2-CD1 4.04Å; L11-L14 WeakPolarHBondContact O-CB 3.34Å; L11-L14 WeakPolarHBondContact O-CG 3.31Å; L11-L14 PolarHBondContact O-N 2.71Å; L11-C23 HydrophobicContact CD2-CB 4.39Å; L11-F25 HydrophobicContact CD1-CB 4.4Å; L11-F25 HydrophobicContact CD2-CD1 4.27Å; L11-V47 HydrophobicContact CD1-CG2 4.36Å; L11-D49 HydrophobicContact CD1-CB 4.13Å; L11-D49 HydrophobicContact CG-CB 4.17Å; L11-D49 WeakPolarHBondContact CG-OD2 3.34Å; L11-D49 PolarHBondContact N-OD2 2.75Å; L11-I54 HydrophobicContact CD1-CG2 4.08Å; L11-I54 HydrophobicContact CD2-CG2 3.82Å; L11-I54 HydrophobicContact CG-CG2 4.37Å; L11-L88 HydrophobicContact CD2-CD2 4.44Å; L11-F112 HydrophobicContact CB-CD2 4Å; L11-F112 HydrophobicContact CB-CE2 4.2Å
12K98.2Very high83.9Confident100 Ų10085.5 Ų85.544%0.43543%0.426SS..G310 helixtrans-60.6-25.4176.168.5168.4-174.4168.50114.9F10 L14 T51 F112F10-K12 HydrophobicContact CB-CG 3.9Å; F10-K12 PolarHBondContact O-N 2.96Å; K12-L14 VanDerWaalsContact C-N 3.3Å; K12-T51 HydrophobicContact CD-CG2 3.87Å; K12-T51 HydrophobicContact CG-CG2 3.97Å; K12-T51 PolarHBondContact N-OG1 3.26Å; K12-F112 VanDerWaalsContact CA-CE2 3.41Å; K12-F112 VanDerWaalsContact CA-CZ 3.42Å; K12-F112 HydrophobicContact CB-CD2 4.49Å; K12-F112 HydrophobicContact CB-CE1 3.77Å; K12-F112 HydrophobicContact CB-CE2 3.63Å; K12-F112 HydrophobicContact CB-CZ 3.22Å
13D97.9Very high86.5Confident69 Ų6982.3 Ų82.337%0.36939%0.392SS..G310 helixtrans-86.9-8.9-174.9-59-39.3000111.2Y9 F10 L11Y9-D13 HydrophobicContact CD1-CB 4.19Å; F10-D13 WeakPolarHBondContact CB-OD2 3.2Å; F10-D13 WeakPolarHBondContact O-CB 3.35Å; F10-D13 PolarHBondContact O-N 3.02Å; L11-D13 PolarHBondContact O-N 2.87Å
14L98.1Very high89.1Confident3 Ų374.8 Ų74.82%0.01636%0.359CS..  trans-68.9137.8175.9-60.2-179.3000111.1L11 K12 M18 V21 I54 T79 L86 L88L11-L14 HydrophobicContact CD2-CD1 4.04Å; L11-L14 WeakPolarHBondContact O-CB 3.34Å; L11-L14 WeakPolarHBondContact O-CG 3.31Å; L11-L14 PolarHBondContact O-N 2.71Å; K12-L14 VanDerWaalsContact C-N 3.3Å; L14-M18 HydrophobicContact CD2-SD 4.45Å; L14-V21 HydrophobicContact CD2-CB 4.16Å; L14-V21 HydrophobicContact CD2-CG1 4.06Å; L14-V21 HydrophobicContact CD2-CG2 4.35Å; L14-I54 HydrophobicContact CB-CD1 4.41Å; L14-I54 HydrophobicContact CD1-CD1 3.8Å; L14-T79 HydrophobicContact CB-CG2 4.14Å; L14-T79 HydrophobicContact CD1-CG2 4.32Å; L14-T79 HydrophobicContact CD2-CG2 4.12Å; L14-T79 HydrophobicContact CG-CG2 4.43Å; L14-L86 HydrophobicContact CB-CD2 4.21Å; L14-L88 HydrophobicContact CD1-CD1 4.11Å; L14-L88 HydrophobicContact CD1-CD2 4.27Å
15K97.1Very high91.4Very high116 Ų11669.1 Ų69.150%0.50432%0.324SS..  trans-135.5163.2179.2-60.2-61.2169.5-152.70109.5M18 T79K15-M18 HydrophobicContact CB-CG 4.34Å; K15-M18 HydrophobicContact CB-SD 3.91Å; K15-M18 HydrophobicContact CG-SD 4.44Å; K15-M18 PolarHBondContact N-SD 3.32Å; K15-M18 WeakPolarHBondContact O-CG 3.3Å; K15-T79 WeakPolarHBondContact O-CB 3.44Å; K15-T79 PolarHBondContact O-OG1 2.92Å
16P97.4Very high93.7Very high29 Ų2960 Ų6019%0.18829%0.285CS..THydrogen-bonded Turntrans-52.9141.3175.5-29.336.8000113.6M18 V81 L86 W119 K122P16-M18 VanDerWaalsContact C-N 3.3Å; P16-M18 PolarHBondContact O-N 3.35Å; P16-V81 HydrophobicContact CB-CG2 3.64Å; P16-V81 HydrophobicContact CG-CG2 3.59Å; P16-L86 HydrophobicContact CB-CD1 4.48Å; P16-L86 HydrophobicContact CG-CD1 4.16Å; P16-W119 HydrophobicContact CG-CD2 4.25Å; P16-W119 HydrophobicContact CG-CG 3.92Å; P16-K122 HydrophobicContact CB-CB 4.01Å; P16-K122 HydrophobicContact CG-CB 4.49Å
17N95.8Very high95.5Very high68 Ų6855.6 Ų55.636%0.36426%0.261SS..THydrogen-bonded Turntrans65.123.3169.3-52.5-49.4000116T79 K122 G124N17-T79 WeakPolarHBondContact CA-O 3.34Å; N17-T79 PolarHBondContact N-O 3.41Å; N17-T79 PolarHBondContact N-OG1 3.07Å; N17-K122 PolarHBondContact ND2-O 3.47Å; N17-K122 PolarHBondContact OD1-O 3.21Å; N17-G124 WeakPolarHBondContact OD1-CA 3.33Å; N17-G124 PolarHBondContact OD1-N 2.9Å
18M96.1Very high96.8Very high38 Ų3851 Ų5119%0.18724%0.241CC..  trans-73.2145.3170.6-65.4175.970.400110.4Y9 L14 K15 P16 V21 N78 T79Y9-M18 HydrophobicContact CD1-CE 3.74Å; Y9-M18 HydrophobicContact CE1-CE 3.35Å; Y9-M18 HydrophobicContact CG-CE 4.48Å; L14-M18 HydrophobicContact CD2-SD 4.45Å; K15-M18 HydrophobicContact CB-CG 4.34Å; K15-M18 HydrophobicContact CB-SD 3.91Å; K15-M18 HydrophobicContact CG-SD 4.44Å; K15-M18 PolarHBondContact N-SD 3.32Å; K15-M18 WeakPolarHBondContact O-CG 3.3Å; P16-M18 VanDerWaalsContact C-N 3.3Å; P16-M18 PolarHBondContact O-N 3.35Å; M18-V21 HydrophobicContact CB-CG1 3.64Å; M18-V21 HydrophobicContact CE-CG1 3.87Å; M18-N78 CarbonylContact O-C 3.48Å; M18-N78 VanDerWaalsContact O-CA 3.25Å; M18-N78 WeakPolarHBondContact O-CA 3.37Å; M18-N78 WeakPolarHBondContact O-CB 3.13Å; M18-T79 HydrophobicContact CB-CG2 4.41Å; M18-T79 WeakPolarHBondContact CB-OG1 3.15Å; M18-T79 PolarHBondContact N-OG1 2.91Å; M18-T79 PolarHBondContact O-N 3.05Å
19K94.3Very high97.2Very high170 Ų17053.7 Ų53.774%0.73925%0.245SC*.EExtended strand (participates in β ladder)trans-125153.4178.9-61.8-179.7-178.3178.10109.4V21K19-V21 VanDerWaalsContact C-N 3.25Å; K19-V21 PolarHBondContact O-N 3.33Å
20R93.8Very high97.3Very high193 Ų19353.5 Ų53.573%0.72825%0.248SC*.EExtended strand (participates in β ladder)trans56.939.9179.2-55.6-179.6179.1-135.3-0.5112.2G77R20-G77 WeakPolarHBondContact CA-O 3.41Å; R20-G77 PolarHBondContact N-O 2.93Å
21V95.7Very high97.2Very high0 Ų051.5 Ų51.50%025%0.247CC..EExtended strand (participates in β ladder)trans-80.4135.4175.6-60.30000109.4Y9 L14 M18 K19 Q76 G77 L88Y9-V21 HydrophobicContact CD2-CB 4.32Å; Y9-V21 HydrophobicContact CD2-CG1 4.44Å; Y9-V21 HydrophobicContact CE2-CG1 4.49Å; L14-V21 HydrophobicContact CD2-CB 4.16Å; L14-V21 HydrophobicContact CD2-CG1 4.06Å; L14-V21 HydrophobicContact CD2-CG2 4.35Å; M18-V21 HydrophobicContact CB-CG1 3.64Å; M18-V21 HydrophobicContact CE-CG1 3.87Å; K19-V21 VanDerWaalsContact C-N 3.25Å; K19-V21 PolarHBondContact O-N 3.33Å; V21-Q76 PolarHBondContact O-N 2.79Å; V21-G77 VanDerWaalsContact CG2-C 3.47Å; V21-G77 PolarHBondContact N-O 2.99Å; V21-G77 PolarHBondContact O-N 3.29Å; V21-L88 HydrophobicContact CG2-CD1 3.67Å
22S96.8Very high97Very high6 Ų656.8 Ų56.84%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-117.7131.5172.2-62.50000108.4S8 Y9 L74S8-S22 CarbonylContact C-O 3.59Å; S8-S22 VanDerWaalsContact CA-O 3.32Å; S8-S22 WeakPolarHBondContact CA-O 3.39Å; Y9-S22 PolarHBondContact N-O 2.83Å; S22-L74 CarbonylContact C-O 3.52Å; S22-L74 WeakPolarHBondContact CA-O 3.47Å
23C97.4Very high96.8Very high2 Ų255.4 Ų55.41%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-142.9151.7-176.1-65.30000110.1Y9 L11 F25 Q73 L74Y9-C23 PolarHBondContact O-SG 2.92Å; Y9-C23 VanDerWaalsContact O-SG 3.41Å; L11-C23 HydrophobicContact CD2-CB 4.39Å; C23-F25 HydrophobicContact CB-CD1 3.9Å; C23-F25 HydrophobicContact CB-CE1 4.1Å; C23-Q73 WeakPolarHBondContact O-CA 3.3Å; C23-L74 PolarHBondContact N-O 2.89Å; C23-L74 PolarHBondContact O-N 2.74Å
24V97.8Very high96.6Very high36 Ų3656 Ų5622%0.21828%0.284CS..EExtended strand (participates in β ladder)trans-117.7130.6167.8-177.20000108.1V71 L72 Q73 I99 F104V24-V71 HydrophobicContact CG1-CG1 4.04Å; V24-L72 WeakPolarHBondContact CA-O 3Å; V24-Q73 HydrophobicContact CG2-CB 4.27Å; V24-Q73 HydrophobicContact CG2-CG 4.07Å; V24-I99 HydrophobicContact CG1-CD1 3.69Å; V24-I99 HydrophobicContact CG2-CD1 4.48Å; V24-F104 HydrophobicContact CB-CE2 4.39Å; V24-F104 HydrophobicContact CB-CZ 4.31Å; V24-F104 HydrophobicContact CG1-CD2 4.42Å; V24-F104 HydrophobicContact CG1-CE2 3.56Å; V24-F104 HydrophobicContact CG1-CZ 3.83Å; V24-F104 WeakPolarHBondContact O-CZ 3.14Å
25F98.5Very high96.4Very high1 Ų164.3 Ų64.30%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-151.7161.8-176.347.8-104.6000111.3L11 C23 V47 A48 I56 V71 L72 L74 L88 L96L11-F25 HydrophobicContact CD1-CB 4.4Å; L11-F25 HydrophobicContact CD2-CD1 4.27Å; C23-F25 HydrophobicContact CB-CD1 3.9Å; C23-F25 HydrophobicContact CB-CE1 4.1Å; F25-V47 HydrophobicContact CB-CB 4.07Å; F25-V47 HydrophobicContact CB-CG2 4.25Å; F25-V47 HydrophobicContact CD1-CG2 4.23Å; F25-V47 HydrophobicContact CD2-CB 3.47Å; F25-V47 VanDerWaalsContact CD2-CB 3.47Å; F25-V47 HydrophobicContact CD2-CG1 3.51Å; F25-V47 HydrophobicContact CD2-CG2 3.86Å; F25-V47 HydrophobicContact CE2-CB 4.06Å; F25-V47 HydrophobicContact CE2-CG1 3.65Å; F25-V47 HydrophobicContact CE2-CG2 4.23Å; F25-V47 HydrophobicContact CG-CB 3.83Å; F25-V47 HydrophobicContact CG-CG1 4.34Å; F25-V47 HydrophobicContact CG-CG2 3.85Å; F25-A48 CarbonylContact C-O 3.59Å; F25-A48 VanDerWaalsContact CA-O 3.3Å; F25-A48 WeakPolarHBondContact CA-O 3.3Å; F25-A48 VanDerWaalsContact CB-O 3.3Å; F25-A48 WeakPolarHBondContact CB-O 3.4Å; F25-I56 HydrophobicContact CE1-CD1 4.32Å; F25-I56 HydrophobicContact CE2-CD1 4.34Å; F25-I56 HydrophobicContact CZ-CD1 3.63Å; F25-V71 WeakPolarHBondContact O-CA 3.48Å; F25-L72 HydrophobicContact CD2-CB 4.22Å; F25-L72 HydrophobicContact CE2-CB 3.76Å; F25-L72 HydrophobicContact CE2-CD1 4.19Å; F25-L72 HydrophobicContact CE2-CG 4.45Å; F25-L72 HydrophobicContact CZ-CB 4.38Å; F25-L72 PolarHBondContact N-O 3.34Å; F25-L72 PolarHBondContact O-N 3.42Å; F25-L74 HydrophobicContact CE1-CB 3.76Å; F25-L74 HydrophobicContact CE1-CD2 4.39Å; F25-L74 HydrophobicContact CZ-CB 4.01Å; F25-L88 HydrophobicContact CD1-CD2 4.44Å; F25-L88 HydrophobicContact CE1-CD2 3.86Å; F25-L96 HydrophobicContact CE2-CD1 4.29Å; F25-L96 HydrophobicContact CZ-CD1 3.82Å
26I98.5Very high96.2Very high6 Ų660.8 Ų60.83%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-97.8141.7168.5-168.5167.7000110.3L28 V47 A48 D70 V71 F104 F106I26-L28 HydrophobicContact CG2-CD2 3.95Å; I26-V47 CarbonylContact O-C 3.55Å; I26-V47 WeakPolarHBondContact O-CA 3.49Å; I26-V47 WeakPolarHBondContact O-CB 3.47Å; I26-A48 HydrophobicContact CG2-CB 4.14Å; I26-A48 PolarHBondContact N-O 3Å; I26-A48 PolarHBondContact O-N 2.57Å; I26-D70 CarbonylContact C-O 3.59Å; I26-D70 VanDerWaalsContact CA-O 3.3Å; I26-D70 WeakPolarHBondContact CA-O 3.28Å; I26-V71 HydrophobicContact CG1-CG2 4.46Å; I26-F104 HydrophobicContact CB-CB 4.21Å; I26-F104 HydrophobicContact CB-CD1 3.89Å; I26-F104 HydrophobicContact CB-CG 4.41Å; I26-F104 HydrophobicContact CD1-CB 4.33Å; I26-F104 HydrophobicContact CG2-CD1 4.03Å; I26-F106 HydrophobicContact CD1-CD1 4.49Å; I26-F106 HydrophobicContact CD1-CE1 4.49Å; I26-F106 HydrophobicContact CG2-CB 3.84Å; I26-F106 HydrophobicContact CG2-CD1 3.68Å; I26-F106 HydrophobicContact CG2-CE1 4.38Å; I26-F106 HydrophobicContact CG2-CG 3.77Å
27V98.6Very high96Very high2 Ų269.8 Ų69.81%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-78.8123.2171.7-176.80000109.3L30 V47 A67 C69 D70 L72V27-L30 HydrophobicContact CG1-CD2 3.77Å; V27-V47 HydrophobicContact CG2-CG1 4.26Å; V27-A67 VanDerWaalsContact CB-O 3.31Å; V27-A67 WeakPolarHBondContact CB-O 3.45Å; V27-A67 WeakPolarHBondContact CG1-O 3.45Å; V27-C69 PolarHBondContact O-N 2.88Å; V27-D70 HydrophobicContact CG2-CB 4.19Å; V27-D70 PolarHBondContact N-O 3.16Å; V27-L72 HydrophobicContact CG2-CD1 3.52Å; V27-L72 HydrophobicContact CG2-CG 4.03Å
28L98.4Very high95.8Very high36 Ų3673.4 Ų73.419%0.18836%0.359CS..EExtended strand (participates in β ladder)trans-93.4-53.4175.2-59-172.1000111I26 K46 A48 T53 F106 E108I26-L28 HydrophobicContact CG2-CD2 3.95Å; L28-K46 PolarHBondContact N-O 3.24Å; L28-A48 HydrophobicContact CD1-CB 3.64Å; L28-A48 HydrophobicContact CD2-CB 4.09Å; L28-A48 HydrophobicContact CG-CB 3.84Å; L28-T53 HydrophobicContact CD1-CG2 3.99Å; L28-F106 HydrophobicContact CD1-CD2 4.5Å; L28-F106 HydrophobicContact CD1-CE2 4.42Å; L28-F106 HydrophobicContact CD2-CD2 3.9Å; L28-F106 HydrophobicContact CD2-CE1 4.45Å; L28-F106 HydrophobicContact CD2-CE2 3.6Å; L28-F106 HydrophobicContact CD2-CG 4.44Å; L28-F106 HydrophobicContact CD2-CZ 3.91Å; L28-E108 HydrophobicContact CD1-CG 4.16Å
29E97.7Very high95.7Very high126 Ų12674 Ų7459%0.58938%0.375SS*.EExtended strand (participates in β ladder)trans-140.2147.4-170.7-62.6179176.300111.4A45 K46E29-A45 CarbonylContact O-C 3.54Å; E29-A45 VanDerWaalsContact O-CA 3.23Å; E29-A45 WeakPolarHBondContact O-CA 3.26Å; E29-A45 WeakPolarHBondContact O-CB 3.27Å; E29-K46 HydrophobicContact CB-CB 4.13Å; E29-K46 PolarHBondContact N-O 3.29Å; E29-K46 PolarHBondContact O-N 3.29Å
30L97.6Very high95.6Very high55 Ų5568.8 Ų68.829%0.28836%0.355SS..EExtended strand (participates in β ladder)trans-111.2121.5173.3-62.5-174.3000109.7V27 A45 I66 P68V27-L30 HydrophobicContact CG1-CD2 3.77Å; L30-A45 HydrophobicContact CD2-CB 3.76Å; L30-I66 WeakPolarHBondContact CD1-O 3.38Å; L30-I66 HydrophobicContact CD2-CD1 3.6Å; L30-I66 HydrophobicContact CD2-CG1 3.82Å; L30-P68 HydrophobicContact CG-CG 4.3Å
31G96.1Very high95.6Very high26 Ų2661.6 Ų61.627%0.26833%0.33SS..EExtended strand (participates in β ladder)trans-74.6177.1170.500000113R43 T44G31-R43 WeakPolarHBondContact O-CG 3.31Å; G31-R43 PolarHBondContact O-NE 3.22Å; G31-T44 VanDerWaalsContact CA-O 3.23Å; G31-T44 WeakPolarHBondContact CA-O 3.36Å; G31-T44 PolarHBondContact N-O 3.23Å
32P95Very high95.5Very high111 Ų11162.7 Ų62.772%0.72134%0.336SS*.EExtended strand (participates in β ladder)trans-64.8148.8177.128.4-34.7000111.5
33I94.2Very high95.4Very high70 Ų7064.6 Ų64.636%0.35934%0.342SS..EExtended strand (participates in β ladder)trans-75.6127.5168.5-61.2175.5000107.8E41 R43I33-E41 HydrophobicContact CG2-CB 3.99Å; I33-E41 HydrophobicContact CG2-CG 3.97Å; I33-R43 HydrophobicContact CG1-CB 4.49Å; I33-R43 VanDerWaalsContact CG1-NH2 3.34Å
34T94.4Very high95.3Very high82 Ų8267.4 Ų67.450%0.50336%0.359SS..EExtended strand (participates in β ladder)trans-113.9141.5172.1-530000109.3V42T34-V42 PolarHBondContact N-O 2.83Å; T34-V42 PolarHBondContact O-N 2.82Å
35R94.3Very high95.3Very high178 Ų17865.8 Ų65.867%0.67235%0.35SS*.EExtended strand (participates in β ladder)trans-97.7131.3172.6-75.3180174.5-1341110.6N40 E41R35-N40 CarbonylContact C-O 3.56Å; R35-N40 WeakPolarHBondContact CA-O 3.46Å; R35-E41 HydrophobicContact CG-CG 3.81Å; R35-E41 IonicContact CZ-OE1 3.13Å; R35-E41 IonicContact NE-OE1 2.93Å; R35-E41 PolarHBondContact NE-OE1 2.86Å; R35-E41 IonicContact NH2-OE1 2.67Å; R35-E41 PolarHBondContact NH2-OE1 3.4Å
36T91.8Very high95.3Very high42 Ų4268.2 Ų68.226%0.25836%0.361SS..  trans-78.1166.2172.373.10000110.8D38 G39 N40 V42 W59T36-D38 PolarHBondContact O-N 2.84Å; T36-G39 PolarHBondContact O-N 2.88Å; T36-N40 HydrophobicContact CG2-CB 4.46Å; T36-N40 PolarHBondContact N-O 3.01Å; T36-N40 WeakPolarHBondContact OG1-CB 3.5Å; T36-N40 PolarHBondContact OG1-N 2.88Å; T36-N40 PolarHBondContact OG1-O 2.87Å; T36-V42 HydrophobicContact CG2-CG1 4.34Å; T36-W59 HydrophobicContact CG2-CH2 4.02Å; T36-W59 HydrophobicContact CG2-CZ3 3.65Å
37K93.2Very high95.3Very high218 Ų21868 Ų6895%0.94836%0.359SS*.THydrogen-bonded Turntrans-58-30.8177.8-66.5-175.5178.5-178.40112.7G39K37-G39 PolarHBondContact O-N 2.94Å
38D92.2Very high95.3Very high144 Ų14467.9 Ų67.977%0.7736%0.359SS*.THydrogen-bonded Turntrans-86.78.5179.9-51-37.6000112.7T36 N40T36-D38 PolarHBondContact O-N 2.84Å; D38-N40 PolarHBondContact O-N 2.79Å
39G92.6Very high95.3Very high50 Ų5066.4 Ų66.452%0.51535%0.351SS..SBendtrans83.41.9176.700000115.5T36 K37T36-G39 PolarHBondContact O-N 2.88Å; K37-G39 PolarHBondContact O-N 2.94Å
40N92.5Very high95.3Very high60 Ų6068.1 Ų68.132%0.32135%0.352SS..  trans-73.5144.7175.8-68.2-79.1000110.8R35 T36 D38 W59 N60R35-N40 CarbonylContact C-O 3.56Å; R35-N40 WeakPolarHBondContact CA-O 3.46Å; T36-N40 HydrophobicContact CG2-CB 4.46Å; T36-N40 PolarHBondContact N-O 3.01Å; T36-N40 WeakPolarHBondContact OG1-CB 3.5Å; T36-N40 PolarHBondContact OG1-N 2.88Å; T36-N40 PolarHBondContact OG1-O 2.87Å; D38-N40 PolarHBondContact O-N 2.79Å; N40-W59 HydrophobicContact CB-CE3 4.15Å; N40-W59 HydrophobicContact CB-CZ3 4.13Å; N40-N60 PolarHBondContact OD1-ND2 3.04Å; N40-N60 PolarHBondContact OD1-OD1 3.2Å
41E93.5Very high95.4Very high43 Ų4366.7 Ų66.720%0.20135%0.346CS..EExtended strand (participates in β ladder)trans-95136.8172.9-73.3-175.5158.800110.1I33 R35 W59 N60I33-E41 HydrophobicContact CG2-CB 3.99Å; I33-E41 HydrophobicContact CG2-CG 3.97Å; R35-E41 HydrophobicContact CG-CG 3.81Å; R35-E41 IonicContact CZ-OE1 3.13Å; R35-E41 IonicContact NE-OE1 2.93Å; R35-E41 PolarHBondContact NE-OE1 2.86Å; R35-E41 IonicContact NH2-OE1 2.67Å; R35-E41 PolarHBondContact NH2-OE1 3.4Å; E41-W59 CarbonylContact O-C 3.54Å; E41-W59 WeakPolarHBondContact O-CA 3.31Å; E41-N60 PolarHBondContact N-OD1 3.41Å; E41-N60 VanDerWaalsContact N-OD1 3.08Å; E41-N60 PolarHBondContact O-N 2.9Å; E41-N60 PolarHBondContact O-OD1 2.96Å
42V94.1Very high95.5Very high23 Ų2365.4 Ų65.414%0.13933%0.333CS..EExtended strand (participates in β ladder)trans-134.2136.4173.163.30000109.8T34 T36 V58 W59T34-V42 PolarHBondContact N-O 2.83Å; T34-V42 PolarHBondContact O-N 2.82Å; T36-V42 HydrophobicContact CG2-CG1 4.34Å; V42-V58 WeakPolarHBondContact CA-O 3.33Å; V42-W59 HydrophobicContact CB-CD2 3.96Å; V42-W59 HydrophobicContact CB-CE3 3.78Å; V42-W59 HydrophobicContact CB-CH2 4.07Å; V42-W59 HydrophobicContact CB-CZ2 4.22Å; V42-W59 HydrophobicContact CB-CZ3 3.85Å; V42-W59 HydrophobicContact CG1-CH2 4.37Å; V42-W59 HydrophobicContact CG1-CZ3 4.34Å; V42-W59 HydrophobicContact CG2-CD2 3.88Å; V42-W59 HydrophobicContact CG2-CE3 4.21Å; V42-W59 HydrophobicContact CG2-CG 4.39Å; V42-W59 HydrophobicContact CG2-CH2 4.21Å; V42-W59 HydrophobicContact CG2-CZ2 3.86Å; V42-W59 HydrophobicContact CG2-CZ3 4.38Å
43R94.3Very high95.7Very high45 Ų4560.1 Ų60.117%0.1730%0.298CS..EExtended strand (participates in β ladder)trans-123.5129.1172.7175.1178-82.7165.8-8.4108.5G31 I33 V58 S63G31-R43 WeakPolarHBondContact O-CG 3.31Å; G31-R43 PolarHBondContact O-NE 3.22Å; I33-R43 HydrophobicContact CG1-CB 4.49Å; I33-R43 VanDerWaalsContact CG1-NH2 3.34Å; R43-V58 PolarHBondContact N-O 2.89Å; R43-V58 PolarHBondContact O-N 3.28Å; R43-S63 PolarHBondContact NH1-O 2.83Å
44T96.1Very high95.9Very high61 Ų6156.8 Ų56.837%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-83.8130.3165.2-57.30000108.5G31 N55 I56G31-T44 VanDerWaalsContact CA-O 3.23Å; G31-T44 WeakPolarHBondContact CA-O 3.36Å; G31-T44 PolarHBondContact N-O 3.23Å; T44-N55 HydrophobicContact CG2-CB 3.86Å; T44-I56 CarbonylContact C-O 3.42Å; T44-I56 WeakPolarHBondContact CA-O 3.18Å
45A97.8Very high96.1Very high2 Ų255.1 Ų55.12%0.01727%0.269CS..EExtended strand (participates in β ladder)trans-120.7150.2172.800000109.9E29 L30 N55 I56 I66E29-A45 CarbonylContact O-C 3.54Å; E29-A45 VanDerWaalsContact O-CA 3.23Å; E29-A45 WeakPolarHBondContact O-CA 3.26Å; E29-A45 WeakPolarHBondContact O-CB 3.27Å; L30-A45 HydrophobicContact CD2-CB 3.76Å; A45-N55 CarbonylContact O-C 3.6Å; A45-N55 WeakPolarHBondContact O-CA 3.49Å; A45-I56 HydrophobicContact CB-CG2 3.9Å; A45-I56 PolarHBondContact N-O 3.42Å; A45-I56 PolarHBondContact O-N 3.13Å; A45-I66 HydrophobicContact CB-CD1 4.14Å
46K98.5Very high96.3Very high53 Ų5346.8 Ų46.823%0.2324%0.238CC..EExtended strand (participates in β ladder)trans-93.8125.4170.3-164.9163.7-152.9165.90108.9L28 E29 T53 D111L28-K46 PolarHBondContact N-O 3.24Å; E29-K46 HydrophobicContact CB-CB 4.13Å; E29-K46 PolarHBondContact N-O 3.29Å; E29-K46 PolarHBondContact O-N 3.29Å; K46-T53 WeakPolarHBondContact CE-OG1 3.45Å; K46-D111 WeakPolarHBondContact CE-OD2 3.2Å; K46-D111 IonicContact NZ-OD2 2.71Å; K46-D111 PolarHBondContact NZ-OD2 2.88Å
47V98.7Very high96.5Very high1 Ų145.4 Ų45.41%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-124.8154.6179-59.30000110.8L11 F25 I26 V27 T53 I54 I56L11-V47 HydrophobicContact CD1-CG2 4.36Å; F25-V47 HydrophobicContact CB-CB 4.07Å; F25-V47 HydrophobicContact CB-CG2 4.25Å; F25-V47 HydrophobicContact CD1-CG2 4.23Å; F25-V47 HydrophobicContact CD2-CB 3.47Å; F25-V47 VanDerWaalsContact CD2-CB 3.47Å; F25-V47 HydrophobicContact CD2-CG1 3.51Å; F25-V47 HydrophobicContact CD2-CG2 3.86Å; F25-V47 HydrophobicContact CE2-CB 4.06Å; F25-V47 HydrophobicContact CE2-CG1 3.65Å; F25-V47 HydrophobicContact CE2-CG2 4.23Å; F25-V47 HydrophobicContact CG-CB 3.83Å; F25-V47 HydrophobicContact CG-CG1 4.34Å; F25-V47 HydrophobicContact CG-CG2 3.85Å; I26-V47 CarbonylContact O-C 3.55Å; I26-V47 WeakPolarHBondContact O-CA 3.49Å; I26-V47 WeakPolarHBondContact O-CB 3.47Å; V27-V47 HydrophobicContact CG2-CG1 4.26Å; V47-T53 CarbonylContact O-C 3.5Å; V47-T53 WeakPolarHBondContact O-CA 3.41Å; V47-T53 WeakPolarHBondContact O-CB 3.3Å; V47-I54 HydrophobicContact CG2-CG2 3.73Å; V47-I54 WeakPolarHBondContact CG2-O 3.39Å; V47-I54 PolarHBondContact N-O 2.83Å; V47-I54 PolarHBondContact O-N 3.38Å; V47-I56 HydrophobicContact CG1-CG2 3.57Å; V47-I56 HydrophobicContact CG2-CB 4.4Å; V47-I56 HydrophobicContact CG2-CG2 4.18Å
48A98.8Very high96.6Very high0 Ų035.1 Ų35.10%019%0.185CC..EExtended strand (participates in β ladder)trans-138.1152.2-174.200000113.5F25 I26 L28 G52 T53 F106F25-A48 CarbonylContact C-O 3.59Å; F25-A48 VanDerWaalsContact CA-O 3.3Å; F25-A48 WeakPolarHBondContact CA-O 3.3Å; F25-A48 VanDerWaalsContact CB-O 3.3Å; F25-A48 WeakPolarHBondContact CB-O 3.4Å; I26-A48 HydrophobicContact CG2-CB 4.14Å; I26-A48 PolarHBondContact N-O 3Å; I26-A48 PolarHBondContact O-N 2.57Å; L28-A48 HydrophobicContact CD1-CB 3.64Å; L28-A48 HydrophobicContact CD2-CB 4.09Å; L28-A48 HydrophobicContact CG-CB 3.84Å; A48-G52 WeakPolarHBondContact CA-O 3.37Å; A48-T53 HydrophobicContact CB-CG2 3.91Å; A48-F106 HydrophobicContact CB-CB 3.77Å; A48-F106 HydrophobicContact CB-CD2 3.86Å; A48-F106 HydrophobicContact CB-CG 4.1Å
49D98.5Very high96.7Very high4 Ų432.8 Ų32.82%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-134.9-174.1164.575.54.4000109.8F10 L11 T51 G52 F104 F106 V107F10-D49 WeakPolarHBondContact CA-OD2 3.35Å; L11-D49 HydrophobicContact CD1-CB 4.13Å; L11-D49 HydrophobicContact CG-CB 4.17Å; L11-D49 WeakPolarHBondContact CG-OD2 3.34Å; L11-D49 PolarHBondContact N-OD2 2.75Å; D49-T51 PolarHBondContact O-N 2.79Å; D49-T51 VanDerWaalsContact OD1-CA 3.31Å; D49-T51 WeakPolarHBondContact OD1-CA 3.42Å; D49-T51 VanDerWaalsContact OD1-CB 3.27Å; D49-T51 WeakPolarHBondContact OD1-CB 3.16Å; D49-T51 PolarHBondContact OD1-N 2.87Å; D49-T51 PolarHBondContact OD1-OG1 3.23Å; D49-T51 PolarHBondContact OD2-OG1 3.45Å; D49-G52 PolarHBondContact N-O 2.97Å; D49-G52 PolarHBondContact O-N 3Å; D49-G52 PolarHBondContact OD1-N 2.85Å; D49-F104 HydrophobicContact CB-CE1 4.05Å; D49-F104 HydrophobicContact CB-CZ 4.48Å; D49-F106 CarbonylContact O-C 3.52Å; D49-F106 WeakPolarHBondContact O-CA 3.21Å; D49-V107 PolarHBondContact O-N 3.03Å
50R98.1Very high96.6Very high163 Ų16333.7 Ų33.762%0.61516%0.159SC*.THydrogen-bonded Turntrans-61.6-3.2178.971.5-173.7-173.6-15515.6115F10 P105F10-R50 HydrophobicContact CD1-CG 4.41Å; F10-R50 HydrophobicContact CE1-CG 4.36Å; R50-P105 PolarHBondContact N-O 3.27Å
51T98.6Very high96.4Very high24 Ų2438.6 Ų38.615%0.14718%0.18CC..THydrogen-bonded Turntrans-112-19.2-176.274.20000113.9F10 K12 D49 P110 F112F10-T51 HydrophobicContact CB-CG2 3.73Å; F10-T51 HydrophobicContact CD1-CG2 3.84Å; F10-T51 HydrophobicContact CG-CG2 3.76Å; K12-T51 HydrophobicContact CD-CG2 3.87Å; K12-T51 HydrophobicContact CG-CG2 3.97Å; K12-T51 PolarHBondContact N-OG1 3.26Å; D49-T51 PolarHBondContact O-N 2.79Å; D49-T51 VanDerWaalsContact OD1-CA 3.31Å; D49-T51 WeakPolarHBondContact OD1-CA 3.42Å; D49-T51 VanDerWaalsContact OD1-CB 3.27Å; D49-T51 WeakPolarHBondContact OD1-CB 3.16Å; D49-T51 PolarHBondContact OD1-N 2.87Å; D49-T51 PolarHBondContact OD1-OG1 3.23Å; D49-T51 PolarHBondContact OD2-OG1 3.45Å; T51-P110 WeakPolarHBondContact O-CD 3.38Å; T51-F112 VanDerWaalsContact O-CZ 3.26Å; T51-F112 WeakPolarHBondContact O-CZ 3.36Å
52G98.7Very high96.2Very high0 Ų039.1 Ų39.10%018%0.184CC..EExtended strand (participates in β ladder)trans151.7-161.9-179.700000111.9A48 D49 V107 P110A48-G52 WeakPolarHBondContact CA-O 3.37Å; D49-G52 PolarHBondContact N-O 2.97Å; D49-G52 PolarHBondContact O-N 3Å; D49-G52 PolarHBondContact OD1-N 2.85Å; G52-V107 CarbonylContact C-O 3.53Å; G52-P110 CarbonylContact C-O 3.59Å; G52-P110 WeakPolarHBondContact CA-O 3.41Å
53T98.9Very high96Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-118.8155.4-178.6700000112.2L28 K46 V47 A48 E108 P110 D111 F112L28-T53 HydrophobicContact CD1-CG2 3.99Å; K46-T53 WeakPolarHBondContact CE-OG1 3.45Å; V47-T53 CarbonylContact O-C 3.5Å; V47-T53 WeakPolarHBondContact O-CA 3.41Å; V47-T53 WeakPolarHBondContact O-CB 3.3Å; A48-T53 HydrophobicContact CB-CG2 3.91Å; T53-E108 VanDerWaalsContact CG2-O 3.31Å; T53-E108 WeakPolarHBondContact CG2-O 3.36Å; T53-P110 PolarHBondContact N-O 3.32Å; T53-D111 WeakPolarHBondContact OG1-CA 3.47Å; T53-F112 WeakPolarHBondContact O-CD2 3.49Å; T53-F112 PolarHBondContact O-N 2.87Å
54I98.8Very high95.7Very high0 Ų039.8 Ų39.80%020%0.197CC..EExtended strand (participates in β ladder)trans-143.7151.6167.2-160.4172.5000110.1L11 L14 V47 L86 L88 F112L11-I54 HydrophobicContact CD1-CG2 4.08Å; L11-I54 HydrophobicContact CD2-CG2 3.82Å; L11-I54 HydrophobicContact CG-CG2 4.37Å; L14-I54 HydrophobicContact CB-CD1 4.41Å; L14-I54 HydrophobicContact CD1-CD1 3.8Å; V47-I54 HydrophobicContact CG2-CG2 3.73Å; V47-I54 WeakPolarHBondContact CG2-O 3.39Å; V47-I54 PolarHBondContact N-O 2.83Å; V47-I54 PolarHBondContact O-N 3.38Å; I54-L86 HydrophobicContact CD1-CD2 3.85Å; I54-L86 HydrophobicContact CD1-CG 4.04Å; I54-L88 HydrophobicContact CD1-CB 4.35Å; I54-L88 HydrophobicContact CG2-CB 4.25Å; I54-L88 HydrophobicContact CG2-CD2 4.35Å; I54-F112 HydrophobicContact CB-CB 4.47Å; I54-F112 HydrophobicContact CD1-CB 4.49Å; I54-F112 HydrophobicContact CG1-CB 4.36Å
55N98.4Very high95.5Very high47 Ų4743.1 Ų43.125%0.25121%0.212SC..EExtended strand (participates in β ladder)trans-74.2131.6165.2-73.8-34.3000111T44 A45 N87 L88 S113T44-N55 HydrophobicContact CG2-CB 3.86Å; A45-N55 CarbonylContact O-C 3.6Å; A45-N55 WeakPolarHBondContact O-CA 3.49Å; N55-N87 PolarHBondContact O-ND2 2.89Å; N55-L88 PolarHBondContact O-N 2.97Å; N55-S113 WeakPolarHBondContact CB-OG 3.46Å; N55-S113 PolarHBondContact N-OG 3.17Å; N55-S113 PolarHBondContact ND2-OG 3.36Å
56I98.2Very high95.4Very high2 Ų243.6 Ų43.61%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-114.1135.4170.2-172.2174.9000110.7F25 T44 A45 V47 V58 L74 L88 V90F25-I56 HydrophobicContact CE1-CD1 4.32Å; F25-I56 HydrophobicContact CE2-CD1 4.34Å; F25-I56 HydrophobicContact CZ-CD1 3.63Å; T44-I56 CarbonylContact C-O 3.42Å; T44-I56 WeakPolarHBondContact CA-O 3.18Å; A45-I56 HydrophobicContact CB-CG2 3.9Å; A45-I56 PolarHBondContact N-O 3.42Å; A45-I56 PolarHBondContact O-N 3.13Å; V47-I56 HydrophobicContact CG1-CG2 3.57Å; V47-I56 HydrophobicContact CG2-CB 4.4Å; V47-I56 HydrophobicContact CG2-CG2 4.18Å; I56-V58 HydrophobicContact CD1-CG2 4.31Å; I56-V58 HydrophobicContact CG1-CG2 4.13Å; I56-V58 HydrophobicContact CG2-CG2 4.08Å; I56-L74 HydrophobicContact CD1-CD2 4.2Å; I56-L88 CarbonylContact C-O 3.59Å; I56-L88 WeakPolarHBondContact CA-O 3.35Å; I56-L88 HydrophobicContact CB-CB 4.13Å; I56-L88 HydrophobicContact CB-CG 4.47Å; I56-L88 HydrophobicContact CD1-CD2 4.02Å; I56-L88 HydrophobicContact CD1-CG 4.07Å; I56-L88 HydrophobicContact CG1-CB 4.07Å; I56-L88 HydrophobicContact CG1-CD2 4.32Å; I56-L88 HydrophobicContact CG1-CG 4.01Å; I56-L88 VanDerWaalsContact CG1-O 3.29Å; I56-L88 WeakPolarHBondContact CG1-O 3.27Å; I56-V90 HydrophobicContact CD1-CG2 4.13Å
57S96.3Very high95.3Very high14 Ų1443 Ų4310%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-93.6121.2169.1-600000110.9N87 L88 N89S57-N87 VanDerWaalsContact CB-OD1 3.29Å; S57-N87 WeakPolarHBondContact CB-OD1 3.48Å; S57-N87 PolarHBondContact N-OD1 2.6Å; S57-N87 VanDerWaalsContact OG-CG 3.31Å; S57-N87 PolarHBondContact OG-ND2 3.28Å; S57-N87 PolarHBondContact OG-OD1 2.85Å; S57-L88 PolarHBondContact N-O 2.99Å; S57-N89 WeakPolarHBondContact CB-OD1 3.32Å
58V95Very high95.2Very high1 Ų146.2 Ų46.21%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-116.9129.7-178.4-170.30000109V42 R43 I56 N62 I66 V90 L96V42-V58 WeakPolarHBondContact CA-O 3.33Å; R43-V58 PolarHBondContact N-O 2.89Å; R43-V58 PolarHBondContact O-N 3.28Å; I56-V58 HydrophobicContact CD1-CG2 4.31Å; I56-V58 HydrophobicContact CG1-CG2 4.13Å; I56-V58 HydrophobicContact CG2-CG2 4.08Å; V58-N62 VanDerWaalsContact CG1-C 3.44Å; V58-N62 HydrophobicContact CG1-CB 3.45Å; V58-N62 VanDerWaalsContact CG1-CB 3.45Å; V58-N62 WeakPolarHBondContact CG1-O 3.23Å; V58-I66 HydrophobicContact CB-CD1 4.07Å; V58-I66 HydrophobicContact CG1-CD1 4.18Å; V58-I66 HydrophobicContact CG2-CD1 3.84Å; V58-V90 HydrophobicContact CG1-CG2 4.41Å; V58-V90 HydrophobicContact CG2-CG2 4.3Å; V58-L96 HydrophobicContact CG1-CD2 4.23Å; V58-L96 HydrophobicContact CG2-CD2 4.47Å
59W93.3Very high95.2Very high96 Ų9648.4 Ų48.436%0.36425%0.254SS..EExtended strand (participates in β ladder)trans-112.2146-166.6-66.682000111.9T36 N40 E41 V42 E61 N62T36-W59 HydrophobicContact CG2-CH2 4.02Å; T36-W59 HydrophobicContact CG2-CZ3 3.65Å; N40-W59 HydrophobicContact CB-CE3 4.15Å; N40-W59 HydrophobicContact CB-CZ3 4.13Å; E41-W59 CarbonylContact O-C 3.54Å; E41-W59 WeakPolarHBondContact O-CA 3.31Å; V42-W59 HydrophobicContact CB-CD2 3.96Å; V42-W59 HydrophobicContact CB-CE3 3.78Å; V42-W59 HydrophobicContact CB-CH2 4.07Å; V42-W59 HydrophobicContact CB-CZ2 4.22Å; V42-W59 HydrophobicContact CB-CZ3 3.85Å; V42-W59 HydrophobicContact CG1-CH2 4.37Å; V42-W59 HydrophobicContact CG1-CZ3 4.34Å; V42-W59 HydrophobicContact CG2-CD2 3.88Å; V42-W59 HydrophobicContact CG2-CE3 4.21Å; V42-W59 HydrophobicContact CG2-CG 4.39Å; V42-W59 HydrophobicContact CG2-CH2 4.21Å; V42-W59 HydrophobicContact CG2-CZ2 3.86Å; V42-W59 HydrophobicContact CG2-CZ3 4.38Å; W59-E61 PolarHBondContact O-N 2.87Å; W59-N62 WeakPolarHBondContact O-CB 3.41Å; W59-N62 PolarHBondContact O-N 2.81Å
60N91.7Very high95.2Very high69 Ų6948.7 Ų48.737%0.36926%0.256SS..THydrogen-bonded Turntrans50.6-131.6170.2-59.3-27.7000112.6N40 E41 N62 S63N40-N60 PolarHBondContact OD1-ND2 3.04Å; N40-N60 PolarHBondContact OD1-OD1 3.2Å; E41-N60 PolarHBondContact N-OD1 3.41Å; E41-N60 VanDerWaalsContact N-OD1 3.08Å; E41-N60 PolarHBondContact O-N 2.9Å; E41-N60 PolarHBondContact O-OD1 2.96Å; N60-N62 PolarHBondContact O-N 3.19Å; N60-N62 VanDerWaalsContact O-N 3.16Å; N60-S63 VanDerWaalsContact O-CB 3.27Å; N60-S63 WeakPolarHBondContact O-CB 3.37Å; N60-S63 PolarHBondContact O-N 2.77Å; N60-S63 PolarHBondContact O-OG 2.97Å
61E88.7Confident95.2Very high163 Ų16341.2 Ų41.276%0.76223%0.228SC*.Hα-helixtrans-52.7-39.4-176-65.5172.7-167.400112.7W59 S63 S64 L65W59-E61 PolarHBondContact O-N 2.87Å; E61-S63 PolarHBondContact O-N 2.8Å; E61-S64 PolarHBondContact O-N 2.89Å; E61-S64 VanDerWaalsContact O-N 3.15Å; E61-L65 WeakPolarHBondContact O-CG 3.23Å; E61-L65 PolarHBondContact O-N 2.9Å
62N87.8Confident95.2Very high54 Ų5440.3 Ų40.329%0.28922%0.222SC..Hα-helixtrans-61-29.4178.2-66.9-15.3000112.4V58 W59 N60 S64 L65V58-N62 VanDerWaalsContact CG1-C 3.44Å; V58-N62 HydrophobicContact CG1-CB 3.45Å; V58-N62 VanDerWaalsContact CG1-CB 3.45Å; V58-N62 WeakPolarHBondContact CG1-O 3.23Å; W59-N62 WeakPolarHBondContact O-CB 3.41Å; W59-N62 PolarHBondContact O-N 2.81Å; N60-N62 PolarHBondContact O-N 3.19Å; N60-N62 VanDerWaalsContact O-N 3.16Å; N62-S64 PolarHBondContact O-N 3.16Å; N62-L65 PolarHBondContact O-N 2.66Å
63S90.1Very high95.1Very high0 Ų043.1 Ų43.10%024%0.236CC..Hα-helixtrans-66.3-26.9-178.574.90000112.6R43 N60 E61R43-S63 PolarHBondContact NH1-O 2.83Å; N60-S63 VanDerWaalsContact O-CB 3.27Å; N60-S63 WeakPolarHBondContact O-CB 3.37Å; N60-S63 PolarHBondContact O-N 2.77Å; N60-S63 PolarHBondContact O-OG 2.97Å; E61-S63 PolarHBondContact O-N 2.8Å
64S89.1Confident95Very high82 Ų8243.1 Ų43.157%0.57324%0.236SC*.Hα-helixtrans-90.7-15.7178.6-61.80000113.5E61 N62E61-S64 PolarHBondContact O-N 2.89Å; E61-S64 VanDerWaalsContact O-N 3.15Å; N62-S64 PolarHBondContact O-N 3.16Å
65L91Very high94.9Very high131 Ų13143.9 Ų43.969%0.68624%0.24SC*.Hα-helixtrans-93-6.5-176.2-67.2175.3000114.1E61 N62E61-L65 WeakPolarHBondContact O-CG 3.23Å; E61-L65 PolarHBondContact O-N 2.9Å; N62-L65 PolarHBondContact O-N 2.66Å
66I95.2Very high94.7Very high12 Ų1245.8 Ų45.86%0.06225%0.248CC..  trans-100.4141.7178.762.1172.4000111.3L30 A45 V58 L72 L96L30-I66 WeakPolarHBondContact CD1-O 3.38Å; L30-I66 HydrophobicContact CD2-CD1 3.6Å; L30-I66 HydrophobicContact CD2-CG1 3.82Å; A45-I66 HydrophobicContact CB-CD1 4.14Å; V58-I66 HydrophobicContact CB-CD1 4.07Å; V58-I66 HydrophobicContact CG1-CD1 4.18Å; V58-I66 HydrophobicContact CG2-CD1 3.84Å; I66-L72 HydrophobicContact CB-CD1 4.3Å; I66-L72 HydrophobicContact CG2-CD1 3.57Å; I66-L96 HydrophobicContact CG2-CD2 3.7Å
67A97.1Very high94.6Very high41 Ų4145.7 Ų45.734%0.33925%0.247SC..  trans-132.5155.4174.700000111.2V27 D70V27-A67 VanDerWaalsContact CB-O 3.31Å; V27-A67 WeakPolarHBondContact CB-O 3.45Å; V27-A67 WeakPolarHBondContact CG1-O 3.45Å; A67-D70 PolarHBondContact N-OD2 3.32Å; A67-D70 WeakPolarHBondContact O-CB 3.39Å; A67-D70 PolarHBondContact O-N 3.15Å
68P97.8Very high94.6Very high67 Ų6747.3 Ų47.344%0.43526%0.255SS..THydrogen-bonded Turntrans-51.2145.6166.6-25.736.2000111.5L30 D70L30-P68 HydrophobicContact CG-CG 4.3Å; P68-D70 PolarHBondContact O-N 3.18Å
69C97.9Very high94.7Very high46 Ų4647.4 Ų47.431%0.31126%0.255SS..THydrogen-bonded Turntrans70.7-1-175.5-51.80000116.2V27 E101 F102V27-C69 PolarHBondContact O-N 2.88Å; C69-E101 CarbonylContact O-C 3.57Å; C69-E101 VanDerWaalsContact O-CA 3.27Å; C69-E101 WeakPolarHBondContact O-CA 3.18Å; C69-F102 HydrophobicContact CB-CD1 3.61Å; C69-F102 HydrophobicContact CB-CE1 3.6Å; C69-F102 HydrophobicContact CB-CG 4.24Å; C69-F102 HydrophobicContact CB-CZ 4.22Å; C69-F102 PolarHBondContact O-N 2.83Å
70D98.4Very high94.9Very high10 Ų1044.6 Ų44.65%0.05325%0.249CC..EExtended strand (participates in β ladder)trans-66.4137.2170.1-75.1-22000111.2I26 V27 A67 P68 L72 K98I26-D70 CarbonylContact C-O 3.59Å; I26-D70 VanDerWaalsContact CA-O 3.3Å; I26-D70 WeakPolarHBondContact CA-O 3.28Å; V27-D70 HydrophobicContact CG2-CB 4.19Å; V27-D70 PolarHBondContact N-O 3.16Å; A67-D70 PolarHBondContact N-OD2 3.32Å; A67-D70 WeakPolarHBondContact O-CB 3.39Å; A67-D70 PolarHBondContact O-N 3.15Å; P68-D70 PolarHBondContact O-N 3.18Å; D70-L72 HydrophobicContact CB-CD2 3.84Å; D70-L72 HydrophobicContact CB-CG 4.09Å; D70-K98 WeakPolarHBondContact OD1-CE 3.31Å; D70-K98 IonicContact OD1-NZ 2.83Å; D70-K98 PolarHBondContact OD1-NZ 2.67Å
71V98.3Very high95.2Very high7 Ų741.9 Ų41.94%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-97.8115.6168.8-173.40000108V24 F25 I26 I99 G100 F104V24-V71 HydrophobicContact CG1-CG1 4.04Å; F25-V71 WeakPolarHBondContact O-CA 3.48Å; I26-V71 HydrophobicContact CG1-CG2 4.46Å; V71-I99 HydrophobicContact CB-CG1 4.31Å; V71-I99 HydrophobicContact CG1-CD1 4.07Å; V71-I99 HydrophobicContact CG1-CG1 3.84Å; V71-I99 WeakPolarHBondContact O-CG1 3.23Å; V71-I99 PolarHBondContact O-N 2.93Å; V71-G100 PolarHBondContact N-O 3.08Å; V71-G100 PolarHBondContact O-N 3.47Å; V71-F104 HydrophobicContact CG1-CB 4.24Å; V71-F104 HydrophobicContact CG1-CD2 3.71Å; V71-F104 HydrophobicContact CG1-CE2 4.25Å; V71-F104 HydrophobicContact CG1-CG 4.03Å; V71-F104 HydrophobicContact CG2-CB 3.62Å; V71-F104 HydrophobicContact CG2-CG 4.29Å
72L97.7Very high95.3Very high4 Ų444.5 Ų44.52%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-116.3138.4-172.8-54.8-177.9000110.7V24 F25 V27 I66 D70 L96 M97 K98V24-L72 WeakPolarHBondContact CA-O 3Å; F25-L72 HydrophobicContact CD2-CB 4.22Å; F25-L72 HydrophobicContact CE2-CB 3.76Å; F25-L72 HydrophobicContact CE2-CD1 4.19Å; F25-L72 HydrophobicContact CE2-CG 4.45Å; F25-L72 HydrophobicContact CZ-CB 4.38Å; F25-L72 PolarHBondContact N-O 3.34Å; F25-L72 PolarHBondContact O-N 3.42Å; V27-L72 HydrophobicContact CG2-CD1 3.52Å; V27-L72 HydrophobicContact CG2-CG 4.03Å; I66-L72 HydrophobicContact CB-CD1 4.3Å; I66-L72 HydrophobicContact CG2-CD1 3.57Å; D70-L72 HydrophobicContact CB-CD2 3.84Å; D70-L72 HydrophobicContact CB-CG 4.09Å; L72-L96 HydrophobicContact CB-CD1 3.9Å; L72-L96 HydrophobicContact CB-CG 4.35Å; L72-L96 HydrophobicContact CD1-CD1 4.06Å; L72-L96 HydrophobicContact CD1-CD2 3.83Å; L72-L96 HydrophobicContact CD1-CG 3.94Å; L72-M97 CarbonylContact C-O 3.52Å; L72-M97 VanDerWaalsContact CA-O 3.3Å; L72-M97 WeakPolarHBondContact CA-O 3.26Å; L72-K98 HydrophobicContact CD2-CB 3.8Å; L72-K98 HydrophobicContact CD2-CG 4.24Å
73Q97Very high95.6Very high60 Ų6044.8 Ų44.828%0.2825%0.254SS..EExtended strand (participates in β ladder)trans-99.8117.5164-175.1178.412.700108.7C23 V24 V75 M97 I99C23-Q73 WeakPolarHBondContact O-CA 3.3Å; V24-Q73 HydrophobicContact CG2-CB 4.27Å; V24-Q73 HydrophobicContact CG2-CG 4.07Å; Q73-V75 HydrophobicContact CG-CG2 4.03Å; Q73-M97 HydrophobicContact CB-CE 4.47Å; Q73-M97 HydrophobicContact CG-CE 4.31Å; Q73-M97 PolarHBondContact N-O 2.86Å; Q73-M97 PolarHBondContact O-N 3.39Å; Q73-I99 HydrophobicContact CB-CD1 4.36Å; Q73-I99 HydrophobicContact CB-CG2 3.88Å
74L97.1Very high95.9Very high0 Ų044.9 Ų44.90%025%0.254CS..EExtended strand (participates in β ladder)trans-90.4129.6165.9174.859.6000108.9S22 C23 F25 I56 L88 V90 Q95 L96S22-L74 CarbonylContact C-O 3.52Å; S22-L74 WeakPolarHBondContact CA-O 3.47Å; C23-L74 PolarHBondContact N-O 2.89Å; C23-L74 PolarHBondContact O-N 2.74Å; F25-L74 HydrophobicContact CE1-CB 3.76Å; F25-L74 HydrophobicContact CE1-CD2 4.39Å; F25-L74 HydrophobicContact CZ-CB 4.01Å; I56-L74 HydrophobicContact CD1-CD2 4.2Å; L74-L88 HydrophobicContact CD2-CD1 3.7Å; L74-L88 HydrophobicContact CD2-CD2 3.76Å; L74-L88 HydrophobicContact CD2-CG 3.7Å; L74-V90 HydrophobicContact CD1-CB 4.2Å; L74-V90 HydrophobicContact CD1-CG1 3.96Å; L74-V90 HydrophobicContact CD1-CG2 4.25Å; L74-Q95 CarbonylContact C-O 3.56Å; L74-Q95 WeakPolarHBondContact CA-O 3.4Å; L74-L96 HydrophobicContact CB-CD1 4.02Å; L74-L96 HydrophobicContact CD1-CD1 4.41Å
75V95.9Very high96.3Very high16 Ų1643 Ų4310%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-119.5136.7172.5176.80000108.8Q73 G77 G94 Q95 M97Q73-V75 HydrophobicContact CG-CG2 4.03Å; V75-G77 VanDerWaalsContact C-N 3.27Å; V75-G77 PolarHBondContact O-N 3.31Å; V75-G94 CarbonylContact O-C 3.55Å; V75-G94 WeakPolarHBondContact O-CA 3.07Å; V75-Q95 PolarHBondContact N-O 2.62Å; V75-Q95 PolarHBondContact O-N 3.13Å; V75-M97 HydrophobicContact CG2-CE 3.6Å
76Q94.7Very high96.6Very high87 Ų8736.9 Ų36.941%0.40721%0.209SC..EExtended strand (participates in β ladder)trans57.232.9178.8-68.2-171.660.600115.6V21V21-Q76 PolarHBondContact O-N 2.79Å
77G96.1Very high96.8Very high0 Ų037.2 Ų37.20%021%0.211CC..EExtended strand (participates in β ladder)trans-66.5179.4169.400000113.4R20 V21 V75 N89R20-G77 WeakPolarHBondContact CA-O 3.41Å; R20-G77 PolarHBondContact N-O 2.93Å; V21-G77 VanDerWaalsContact CG2-C 3.47Å; V21-G77 PolarHBondContact N-O 2.99Å; V21-G77 PolarHBondContact O-N 3.29Å; V75-G77 VanDerWaalsContact C-N 3.27Å; V75-G77 PolarHBondContact O-N 3.31Å; G77-N89 VanDerWaalsContact CA-O 3.22Å; G77-N89 WeakPolarHBondContact CA-O 3.46Å
78N96.6Very high96.8Very high48 Ų4835.3 Ų35.326%0.25720%0.195SC..EExtended strand (participates in β ladder)trans-143.4166.4170.367.563000111.1M18 N89M18-N78 CarbonylContact O-C 3.48Å; M18-N78 VanDerWaalsContact O-CA 3.25Å; M18-N78 WeakPolarHBondContact O-CA 3.37Å; M18-N78 WeakPolarHBondContact O-CB 3.13Å; N78-N89 PolarHBondContact N-O 2.99Å; N78-N89 PolarHBondContact O-N 2.96Å; N78-N89 WeakPolarHBondContact OD1-CB 3.49Å; N78-N89 PolarHBondContact OD1-ND2 2.82Å
79T97.6Very high96.8Very high2 Ų232.8 Ų32.81%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-117.2141.3174.759.80000111L14 K15 N17 M18 N87 L88L14-T79 HydrophobicContact CB-CG2 4.14Å; L14-T79 HydrophobicContact CD1-CG2 4.32Å; L14-T79 HydrophobicContact CD2-CG2 4.12Å; L14-T79 HydrophobicContact CG-CG2 4.43Å; K15-T79 WeakPolarHBondContact O-CB 3.44Å; K15-T79 PolarHBondContact O-OG1 2.92Å; N17-T79 WeakPolarHBondContact CA-O 3.34Å; N17-T79 PolarHBondContact N-O 3.41Å; N17-T79 PolarHBondContact N-OG1 3.07Å; M18-T79 HydrophobicContact CB-CG2 4.41Å; M18-T79 WeakPolarHBondContact CB-OG1 3.15Å; M18-T79 PolarHBondContact N-OG1 2.91Å; M18-T79 PolarHBondContact O-N 3.05Å; T79-N87 CarbonylContact C-O 3.55Å; T79-N87 VanDerWaalsContact CA-O 3.23Å; T79-N87 WeakPolarHBondContact CA-O 3.35Å; T79-L88 HydrophobicContact CG2-CD1 4.16Å
80T96.9Very high96.6Very high38 Ų3830.8 Ų30.823%0.23316%0.164CC..EExtended strand (participates in β ladder)trans-131.6161.7175.8570000109.9L86 N87 N89T80-L86 CarbonylContact O-C 3.59Å; T80-N87 PolarHBondContact N-O 3.23Å; T80-N87 PolarHBondContact O-N 2.95Å; T80-N89 WeakPolarHBondContact CG2-ND2 3.29Å; T80-N89 PolarHBondContact OG1-ND2 3.44Å
81V97.4Very high95.9Very high12 Ų1231.5 Ų31.57%0.07317%0.174CC..EExtended strand (participates in β ladder)trans-112.2130.8168.4176.50000108.9P16 C85 L86 W119 K122P16-V81 HydrophobicContact CB-CG2 3.64Å; P16-V81 HydrophobicContact CG-CG2 3.59Å; V81-C85 VanDerWaalsContact CA-O 3.31Å; V81-C85 WeakPolarHBondContact CA-O 3.39Å; V81-L86 HydrophobicContact CG2-CD1 4.23Å; V81-W119 HydrophobicContact CB-CB 4.48Å; V81-W119 HydrophobicContact CG1-CB 3.79Å; V81-W119 WeakPolarHBondContact CG1-O 3.25Å; V81-W119 HydrophobicContact CG2-CB 3.91Å; V81-W119 HydrophobicContact CG2-CG 4.25Å; V81-K122 HydrophobicContact CG2-CB 4.35Å
82R92.4Very high95.2Very high217 Ų21741.8 Ų41.882%0.81921%0.212SC*.EExtended strand (participates in β ladder)trans-130.6124.4171-176.1-179.5175.9118.7-0.9109.1G84 C85R82-G84 PolarHBondContact O-N 2.8Å; R82-C85 PolarHBondContact N-O 3.01Å; R82-C85 PolarHBondContact O-N 2.76Å
83G93.4Very high94.7Very high61 Ų6149.7 Ų49.763%0.62924%0.243SC*.THydrogen-bonded Turntrans5933.5178.300000113.9C85 Y115G83-C85 VanDerWaalsContact C-N 3.27Å; G83-C85 PolarHBondContact O-N 3.47Å; G83-Y115 VanDerWaalsContact O-CD2 3.26Å; G83-Y115 WeakPolarHBondContact O-CD2 3.27Å; G83-Y115 WeakPolarHBondContact O-CE2 3.41Å
84G96.5Very high94.5Very high1 Ų147.5 Ų47.51%0.0124%0.236CC..THydrogen-bonded Turntrans79.10.9-17700000115R82 N116R82-G84 PolarHBondContact O-N 2.8Å; G84-N116 PolarHBondContact O-N 3.21Å
85C97.5Very high94.3Very high44 Ų4453 Ų5330%0.29726%0.262SS..EExtended strand (participates in β ladder)trans-104.3131.9178-60.10000110.9V81 R82 G83 S113V81-C85 VanDerWaalsContact CA-O 3.31Å; V81-C85 WeakPolarHBondContact CA-O 3.39Å; R82-C85 PolarHBondContact N-O 3.01Å; R82-C85 PolarHBondContact O-N 2.76Å; G83-C85 VanDerWaalsContact C-N 3.27Å; G83-C85 PolarHBondContact O-N 3.47Å; C85-S113 VanDerWaalsContact CB-O 3.28Å; C85-S113 WeakPolarHBondContact CB-O 3.5Å
86L98.2Very high94.3Very high1 Ų153.8 Ų53.81%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-71.4140.2170.5-175.668.7000110L14 P16 I54 T80 V81 S113 W119L14-L86 HydrophobicContact CB-CD2 4.21Å; P16-L86 HydrophobicContact CB-CD1 4.48Å; P16-L86 HydrophobicContact CG-CD1 4.16Å; I54-L86 HydrophobicContact CD1-CD2 3.85Å; I54-L86 HydrophobicContact CD1-CG 4.04Å; T80-L86 CarbonylContact O-C 3.59Å; V81-L86 HydrophobicContact CG2-CD1 4.23Å; L86-S113 WeakPolarHBondContact O-CA 3.45Å; L86-S113 WeakPolarHBondContact O-CB 3.27Å; L86-W119 HydrophobicContact CB-CD2 4.4Å; L86-W119 HydrophobicContact CB-CE3 3.66Å; L86-W119 HydrophobicContact CB-CH2 3.63Å; L86-W119 HydrophobicContact CB-CZ2 4.35Å; L86-W119 HydrophobicContact CB-CZ3 3.25Å; L86-W119 HydrophobicContact CD2-CH2 4.06Å; L86-W119 HydrophobicContact CD2-CZ2 4.36Å; L86-W119 HydrophobicContact CG-CH2 4.47Å; L86-W119 HydrophobicContact CG-CZ3 4.47Å
87N98Very high94.3Very high20 Ų2053 Ų5311%0.10726%0.262CS..EExtended strand (participates in β ladder)trans-136.3132.2179.5-166.6-96.4000109.9N55 S57 T79 T80 N89N55-N87 PolarHBondContact O-ND2 2.89Å; S57-N87 VanDerWaalsContact CB-OD1 3.29Å; S57-N87 WeakPolarHBondContact CB-OD1 3.48Å; S57-N87 PolarHBondContact N-OD1 2.6Å; S57-N87 VanDerWaalsContact OG-CG 3.31Å; S57-N87 PolarHBondContact OG-ND2 3.28Å; S57-N87 PolarHBondContact OG-OD1 2.85Å; T79-N87 CarbonylContact C-O 3.55Å; T79-N87 VanDerWaalsContact CA-O 3.23Å; T79-N87 WeakPolarHBondContact CA-O 3.35Å; T80-N87 PolarHBondContact N-O 3.23Å; T80-N87 PolarHBondContact O-N 2.95Å; N87-N89 PolarHBondContact O-ND2 3.04Å; N87-N89 PolarHBondContact OD1-OD1 2.55Å; N87-N89 VanDerWaalsContact OD1-OD1 3.07Å
88L98.3Very high94.3Very high0 Ų058.2 Ų58.20%029%0.285CS..EExtended strand (participates in β ladder)trans-83140.8168.4-178.459.4000108.9L11 L14 V21 F25 I54 N55 I56 S57 L74 T79L11-L88 HydrophobicContact CD2-CD2 4.44Å; L14-L88 HydrophobicContact CD1-CD1 4.11Å; L14-L88 HydrophobicContact CD1-CD2 4.27Å; V21-L88 HydrophobicContact CG2-CD1 3.67Å; F25-L88 HydrophobicContact CD1-CD2 4.44Å; F25-L88 HydrophobicContact CE1-CD2 3.86Å; I54-L88 HydrophobicContact CD1-CB 4.35Å; I54-L88 HydrophobicContact CG2-CB 4.25Å; I54-L88 HydrophobicContact CG2-CD2 4.35Å; N55-L88 PolarHBondContact O-N 2.97Å; I56-L88 CarbonylContact C-O 3.59Å; I56-L88 WeakPolarHBondContact CA-O 3.35Å; I56-L88 HydrophobicContact CB-CB 4.13Å; I56-L88 HydrophobicContact CB-CG 4.47Å; I56-L88 HydrophobicContact CD1-CD2 4.02Å; I56-L88 HydrophobicContact CD1-CG 4.07Å; I56-L88 HydrophobicContact CG1-CB 4.07Å; I56-L88 HydrophobicContact CG1-CD2 4.32Å; I56-L88 HydrophobicContact CG1-CG 4.01Å; I56-L88 VanDerWaalsContact CG1-O 3.29Å; I56-L88 WeakPolarHBondContact CG1-O 3.27Å; S57-L88 PolarHBondContact N-O 2.99Å; L74-L88 HydrophobicContact CD2-CD1 3.7Å; L74-L88 HydrophobicContact CD2-CD2 3.76Å; L74-L88 HydrophobicContact CD2-CG 3.7Å; T79-L88 HydrophobicContact CG2-CD1 4.16Å
89N96.9Very high94.3Very high15 Ų1560.4 Ų60.48%0.0830%0.296CS..EExtended strand (participates in β ladder)trans-129.5140.9178.2-52.9-84.7000109.6S57 G77 N78 T80 N87 G91S57-N89 WeakPolarHBondContact CB-OD1 3.32Å; G77-N89 VanDerWaalsContact CA-O 3.22Å; G77-N89 WeakPolarHBondContact CA-O 3.46Å; N78-N89 PolarHBondContact N-O 2.99Å; N78-N89 PolarHBondContact O-N 2.96Å; N78-N89 WeakPolarHBondContact OD1-CB 3.49Å; N78-N89 PolarHBondContact OD1-ND2 2.82Å; T80-N89 WeakPolarHBondContact CG2-ND2 3.29Å; T80-N89 PolarHBondContact OG1-ND2 3.44Å; N87-N89 PolarHBondContact O-ND2 3.04Å; N87-N89 PolarHBondContact OD1-OD1 2.55Å; N87-N89 VanDerWaalsContact OD1-OD1 3.07Å; N89-G91 VanDerWaalsContact C-N 3.34Å
90V94Very high94.3Very high3 Ų361.7 Ų61.72%0.01831%0.309CS..  trans-62.9-45.4168.7-174.40000109.9I56 V58 L74 G94 L96I56-V90 HydrophobicContact CD1-CG2 4.13Å; V58-V90 HydrophobicContact CG1-CG2 4.41Å; V58-V90 HydrophobicContact CG2-CG2 4.3Å; L74-V90 HydrophobicContact CD1-CB 4.2Å; L74-V90 HydrophobicContact CD1-CG1 3.96Å; L74-V90 HydrophobicContact CD1-CG2 4.25Å; V90-G94 WeakPolarHBondContact O-CA 3.49Å; V90-G94 PolarHBondContact O-N 3.29Å; V90-L96 HydrophobicContact CG1-CB 4.23Å; V90-L96 HydrophobicContact CG2-CB 4.31Å; V90-L96 HydrophobicContact CG2-CD2 4.08Å
91G83.1Confident94.2Very high26 Ų2664.7 Ų64.727%0.26832%0.321SS..  trans71.5169.3177.900000114N89 Y93 G94N89-G91 VanDerWaalsContact C-N 3.34Å; G91-Y93 VanDerWaalsContact C-N 3.31Å; G91-Y93 PolarHBondContact O-N 2.9Å; G91-G94 PolarHBondContact O-N 3.31Å
92R84.6Confident93.7Very high223 Ų22371 Ų7184%0.84235%0.347SS*.THydrogen-bonded Turntrans-61.5-33.3-173.7-178.6178.2-179.41781.8114.6
93Y87Confident93.7Very high170 Ų17066.5 Ų66.567%0.66735%0.348SS*.THydrogen-bonded Turntrans-106-1.7-177.5-56.5-69.4000112.8G91G91-Y93 VanDerWaalsContact C-N 3.31Å; G91-Y93 PolarHBondContact O-N 2.9Å
94G91.8Very high93.8Very high13 Ų1366 Ų6613%0.13433%0.328CS..  trans-83.7154.4179.700000111.8V75 V90 G91V75-G94 CarbonylContact O-C 3.55Å; V75-G94 WeakPolarHBondContact O-CA 3.07Å; V90-G94 WeakPolarHBondContact O-CA 3.49Å; V90-G94 PolarHBondContact O-N 3.29Å; G91-G94 PolarHBondContact O-N 3.31Å
95Q93.7Very high93.8Very high117 Ų11770.5 Ų70.555%0.54736%0.358SS..EExtended strand (participates in β ladder)trans-121.4134.7177.5-64179.96.200108.6L74 V75L74-Q95 CarbonylContact C-O 3.56Å; L74-Q95 WeakPolarHBondContact CA-O 3.4Å; V75-Q95 PolarHBondContact N-O 2.62Å; V75-Q95 PolarHBondContact O-N 3.13Å
96L95.1Very high93.8Very high31 Ų3172.1 Ų72.116%0.16236%0.36CS..EExtended strand (participates in β ladder)trans-114.2112.1174.9-167.366.9000107.5F25 V58 I66 L72 L74 V90F25-L96 HydrophobicContact CE2-CD1 4.29Å; F25-L96 HydrophobicContact CZ-CD1 3.82Å; V58-L96 HydrophobicContact CG1-CD2 4.23Å; V58-L96 HydrophobicContact CG2-CD2 4.47Å; I66-L96 HydrophobicContact CG2-CD2 3.7Å; L72-L96 HydrophobicContact CB-CD1 3.9Å; L72-L96 HydrophobicContact CB-CG 4.35Å; L72-L96 HydrophobicContact CD1-CD1 4.06Å; L72-L96 HydrophobicContact CD1-CD2 3.83Å; L72-L96 HydrophobicContact CD1-CG 3.94Å; L74-L96 HydrophobicContact CB-CD1 4.02Å; L74-L96 HydrophobicContact CD1-CD1 4.41Å; V90-L96 HydrophobicContact CG1-CB 4.23Å; V90-L96 HydrophobicContact CG2-CB 4.31Å; V90-L96 HydrophobicContact CG2-CD2 4.08Å
97M95.2Very high93.9Very high70 Ų7075 Ų7535%0.34538%0.377SS..EExtended strand (participates in β ladder)trans-115.1128.1-174.5-64.3176.7-72.100109.7L72 Q73 V75 I99L72-M97 CarbonylContact C-O 3.52Å; L72-M97 VanDerWaalsContact CA-O 3.3Å; L72-M97 WeakPolarHBondContact CA-O 3.26Å; Q73-M97 HydrophobicContact CB-CE 4.47Å; Q73-M97 HydrophobicContact CG-CE 4.31Å; Q73-M97 PolarHBondContact N-O 2.86Å; Q73-M97 PolarHBondContact O-N 3.39Å; V75-M97 HydrophobicContact CG2-CE 3.6Å; M97-I99 HydrophobicContact CB-CG2 4.46Å; M97-I99 PolarHBondContact O-N 2.88Å
98K96.5Very high93.9Very high111 Ų11180.6 Ų80.648%0.48340%0.403SS..EExtended strand (participates in β ladder)trans-73.2120.7168.1-177.7170.9173.5165.90108.9D70 L72 G100 E101D70-K98 WeakPolarHBondContact OD1-CE 3.31Å; D70-K98 IonicContact OD1-NZ 2.83Å; D70-K98 PolarHBondContact OD1-NZ 2.67Å; L72-K98 HydrophobicContact CD2-CB 3.8Å; L72-K98 HydrophobicContact CD2-CG 4.24Å; K98-G100 WeakPolarHBondContact CE-O 3.29Å; K98-E101 IonicContact NZ-OE2 2.82Å; K98-E101 PolarHBondContact NZ-OE2 3.33Å
99I96.7Very high93.9Very high94 Ų9484.9 Ų84.948%0.48243%0.432SS..EExtended strand (participates in β ladder)trans-113.8-7.8-179.864.6163.1000112.6V24 V71 Q73 M97V24-I99 HydrophobicContact CG1-CD1 3.69Å; V24-I99 HydrophobicContact CG2-CD1 4.48Å; V71-I99 HydrophobicContact CB-CG1 4.31Å; V71-I99 HydrophobicContact CG1-CD1 4.07Å; V71-I99 HydrophobicContact CG1-CG1 3.84Å; V71-I99 WeakPolarHBondContact O-CG1 3.23Å; V71-I99 PolarHBondContact O-N 2.93Å; Q73-I99 HydrophobicContact CB-CD1 4.36Å; Q73-I99 HydrophobicContact CB-CG2 3.88Å; M97-I99 HydrophobicContact CB-CG2 4.46Å; M97-I99 PolarHBondContact O-N 2.88Å
100G96.4Very high93.9Very high28 Ų2887.6 Ų87.629%0.28945%0.451SS..EExtended strand (participates in β ladder)trans176.9-169.4179.200000112.1V71 K98V71-G100 PolarHBondContact N-O 3.08Å; V71-G100 PolarHBondContact O-N 3.47Å; K98-G100 WeakPolarHBondContact CE-O 3.29Å
101E96Very high94.2Very high102 Ų10289.9 Ų89.948%0.47746%0.463SS..EExtended strand (participates in β ladder)trans-156.2153.2179.153.5-173.8-148.600110.3C69 K98 C103C69-E101 CarbonylContact O-C 3.57Å; C69-E101 VanDerWaalsContact O-CA 3.27Å; C69-E101 WeakPolarHBondContact O-CA 3.18Å; K98-E101 IonicContact NZ-OE2 2.82Å; K98-E101 PolarHBondContact NZ-OE2 3.33Å; E101-C103 PolarHBondContact O-N 2.89Å
102F87.5Confident94.9Very high143 Ų14390.6 Ų90.663%0.62746%0.459SS*.SBendtrans59.8-46.1176.6-61.2-75.4000117.1C69 F104C69-F102 HydrophobicContact CB-CD1 3.61Å; C69-F102 HydrophobicContact CB-CE1 3.6Å; C69-F102 HydrophobicContact CB-CG 4.24Å; C69-F102 HydrophobicContact CB-CZ 4.22Å; C69-F102 PolarHBondContact O-N 2.83Å; F102-F104 PolarHBondContact O-N 3.48Å
103C92.1Very high95.5Very high123 Ų12380.1 Ų80.183%0.83142%0.42SS*.  trans-91.976.7-171.7-65.50000111.7E101E101-C103 PolarHBondContact O-N 2.89Å
104F95.6Very high96Very high50 Ų5074.5 Ų74.522%0.21941%0.409CS..  trans-144.2126.6173.5-171.6-104.2000111.3V24 I26 D49 V71 F102 F106V24-F104 HydrophobicContact CB-CE2 4.39Å; V24-F104 HydrophobicContact CB-CZ 4.31Å; V24-F104 HydrophobicContact CG1-CD2 4.42Å; V24-F104 HydrophobicContact CG1-CE2 3.56Å; V24-F104 HydrophobicContact CG1-CZ 3.83Å; V24-F104 WeakPolarHBondContact O-CZ 3.14Å; I26-F104 HydrophobicContact CB-CB 4.21Å; I26-F104 HydrophobicContact CB-CD1 3.89Å; I26-F104 HydrophobicContact CB-CG 4.41Å; I26-F104 HydrophobicContact CD1-CB 4.33Å; I26-F104 HydrophobicContact CG2-CD1 4.03Å; D49-F104 HydrophobicContact CB-CE1 4.05Å; D49-F104 HydrophobicContact CB-CZ 4.48Å; V71-F104 HydrophobicContact CG1-CB 4.24Å; V71-F104 HydrophobicContact CG1-CD2 3.71Å; V71-F104 HydrophobicContact CG1-CE2 4.25Å; V71-F104 HydrophobicContact CG1-CG 4.03Å; V71-F104 HydrophobicContact CG2-CB 3.62Å; V71-F104 HydrophobicContact CG2-CG 4.29Å; F102-F104 PolarHBondContact O-N 3.48Å; F104-F106 WeakPolarHBondContact O-CD1 3.22Å; F104-F106 PolarHBondContact O-N 2.95Å
105P96.2Very high96.3Very high97 Ų9780.3 Ų80.363%0.6343%0.427SS*.  trans-66.2124.1177.9-20.832.7000112.1R50R50-P105 PolarHBondContact N-O 3.27Å
106F98.2Very high96.4Very high77 Ų7777 Ų7734%0.33841%0.414SS..  trans-142.7163.917774-86.9000112.9I26 L28 A48 D49 F104 E108I26-F106 HydrophobicContact CD1-CD1 4.49Å; I26-F106 HydrophobicContact CD1-CE1 4.49Å; I26-F106 HydrophobicContact CG2-CB 3.84Å; I26-F106 HydrophobicContact CG2-CD1 3.68Å; I26-F106 HydrophobicContact CG2-CE1 4.38Å; I26-F106 HydrophobicContact CG2-CG 3.77Å; L28-F106 HydrophobicContact CD1-CD2 4.5Å; L28-F106 HydrophobicContact CD1-CE2 4.42Å; L28-F106 HydrophobicContact CD2-CD2 3.9Å; L28-F106 HydrophobicContact CD2-CE1 4.45Å; L28-F106 HydrophobicContact CD2-CE2 3.6Å; L28-F106 HydrophobicContact CD2-CG 4.44Å; L28-F106 HydrophobicContact CD2-CZ 3.91Å; A48-F106 HydrophobicContact CB-CB 3.77Å; A48-F106 HydrophobicContact CB-CD2 3.86Å; A48-F106 HydrophobicContact CB-CG 4.1Å; D49-F106 CarbonylContact O-C 3.52Å; D49-F106 WeakPolarHBondContact O-CA 3.21Å; F104-F106 WeakPolarHBondContact O-CD1 3.22Å; F104-F106 PolarHBondContact O-N 2.95Å; F106-E108 HydrophobicContact CD2-CG 4.21Å; F106-E108 HydrophobicContact CE2-CG 3.74Å
107V98.6Very high96.3Very high61 Ų6180.6 Ų80.637%0.3743%0.433SS..  trans-128.8144.1166.4-61.90000109.5D49 G52 S109D49-V107 PolarHBondContact O-N 3.03Å; G52-V107 CarbonylContact C-O 3.53Å; V107-S109 VanDerWaalsContact C-N 3.33Å; V107-S109 WeakPolarHBondContact CG2-O 3.45Å
108E98.3Very high96.2Very high139 Ų13984.5 Ų84.565%0.6545%0.45SS*.  trans-84.6-6.3-177.7-65.1-176.7-15400113.9L28 T53 F106L28-E108 HydrophobicContact CD1-CG 4.16Å; T53-E108 VanDerWaalsContact CG2-O 3.31Å; T53-E108 WeakPolarHBondContact CG2-O 3.36Å; F106-E108 HydrophobicContact CD2-CG 4.21Å; F106-E108 HydrophobicContact CE2-CG 3.74Å
109S98.1Very high95.9Very high89 Ų8981 Ų8162%0.62243%0.434SS*.  trans-139.7146.3178.667.80000111V107V107-S109 VanDerWaalsContact C-N 3.33Å; V107-S109 WeakPolarHBondContact CG2-O 3.45Å
110P98.2Very high95.5Very high72 Ų7280.9 Ų80.947%0.46843%0.434SS..  cis-78167.60.434.3-38.8000113.5T51 G52 T53 F112T51-P110 WeakPolarHBondContact O-CD 3.38Å; G52-P110 CarbonylContact C-O 3.59Å; G52-P110 WeakPolarHBondContact CA-O 3.41Å; T53-P110 PolarHBondContact N-O 3.32Å; P110-F112 HydrophobicContact CB-CE1 4.47Å; P110-F112 HydrophobicContact CG-CD1 4.25Å; P110-F112 HydrophobicContact CG-CE1 3.46Å; P110-F112 VanDerWaalsContact CG-CE1 3.46Å; P110-F112 HydrophobicContact CG-CE2 4.43Å; P110-F112 HydrophobicContact CG-CZ 3.55Å
111D98.6Very high95Very high52 Ų5283.3 Ų83.328%0.27846%0.458SS..BIsolated β-bridgetrans-94.3105.2171.1-170.7-19.6000110.7K46 T53 S113 A114K46-D111 WeakPolarHBondContact CE-OD2 3.2Å; K46-D111 IonicContact NZ-OD2 2.71Å; K46-D111 PolarHBondContact NZ-OD2 2.88Å; T53-D111 WeakPolarHBondContact OG1-CA 3.47Å; D111-S113 PolarHBondContact O-N 3.3Å; D111-S113 WeakPolarHBondContact OD1-CA 3.33Å; D111-S113 WeakPolarHBondContact OD1-CB 3.32Å; D111-S113 PolarHBondContact OD1-N 3.09Å; D111-S113 PolarHBondContact OD1-OG 3.42Å; D111-A114 HydrophobicContact CB-CB 4.37Å; D111-A114 WeakPolarHBondContact O-CB 3.38Å; D111-A114 PolarHBondContact O-N 3.08Å; D111-A114 VanDerWaalsContact O-N 3.13Å; D111-A114 PolarHBondContact OD1-N 3.31Å
112F98.6Very high94.3Very high41 Ų4183.9 Ų83.918%0.1846%0.46CS..THydrogen-bonded Turntrans-73.9-5.9178.8-56.8-58.1000113.7L11 K12 T51 T53 I54 P110 W119L11-F112 HydrophobicContact CB-CD2 4Å; L11-F112 HydrophobicContact CB-CE2 4.2Å; K12-F112 VanDerWaalsContact CA-CE2 3.41Å; K12-F112 VanDerWaalsContact CA-CZ 3.42Å; K12-F112 HydrophobicContact CB-CD2 4.49Å; K12-F112 HydrophobicContact CB-CE1 3.77Å; K12-F112 HydrophobicContact CB-CE2 3.63Å; K12-F112 HydrophobicContact CB-CZ 3.22Å; T51-F112 VanDerWaalsContact O-CZ 3.26Å; T51-F112 WeakPolarHBondContact O-CZ 3.36Å; T53-F112 WeakPolarHBondContact O-CD2 3.49Å; T53-F112 PolarHBondContact O-N 2.87Å; I54-F112 HydrophobicContact CB-CB 4.47Å; I54-F112 HydrophobicContact CD1-CB 4.49Å; I54-F112 HydrophobicContact CG1-CB 4.36Å; P110-F112 HydrophobicContact CB-CE1 4.47Å; P110-F112 HydrophobicContact CG-CD1 4.25Å; P110-F112 HydrophobicContact CG-CE1 3.46Å; P110-F112 VanDerWaalsContact CG-CE1 3.46Å; P110-F112 HydrophobicContact CG-CE2 4.43Å; P110-F112 HydrophobicContact CG-CZ 3.55Å; F112-W119 WeakPolarHBondContact O-CH2 3.04Å; F112-W119 WeakPolarHBondContact O-CZ3 3.38Å
113S98.1Very high93.8Very high3 Ų380.4 Ų80.42%0.02145%0.453CS..THydrogen-bonded Turntrans-101.34.8170.359.20000113.3N55 C85 L86 D111N55-S113 WeakPolarHBondContact CB-OG 3.46Å; N55-S113 PolarHBondContact N-OG 3.17Å; N55-S113 PolarHBondContact ND2-OG 3.36Å; C85-S113 VanDerWaalsContact CB-O 3.28Å; C85-S113 WeakPolarHBondContact CB-O 3.5Å; L86-S113 WeakPolarHBondContact O-CA 3.45Å; L86-S113 WeakPolarHBondContact O-CB 3.27Å; D111-S113 PolarHBondContact O-N 3.3Å; D111-S113 WeakPolarHBondContact OD1-CA 3.33Å; D111-S113 WeakPolarHBondContact OD1-CB 3.32Å; D111-S113 PolarHBondContact OD1-N 3.09Å; D111-S113 PolarHBondContact OD1-OG 3.42Å
114A97.7Very high92.4Very high52 Ų5276.3 Ų76.343%0.4343%0.431SS..SBendtrans-53.9149.9168.600000110.6D111 N116D111-A114 HydrophobicContact CB-CB 4.37Å; D111-A114 WeakPolarHBondContact O-CB 3.38Å; D111-A114 PolarHBondContact O-N 3.08Å; D111-A114 VanDerWaalsContact O-N 3.13Å; D111-A114 PolarHBondContact OD1-N 3.31Å; A114-N116 PolarHBondContact O-N 2.9Å
115Y97.4Very high90.4Very high135 Ų13579 Ų7953%0.52945%0.448SS..BIsolated β-bridgetrans-58.4131.7178.5179-99.9000111.1G83 D117G83-Y115 VanDerWaalsContact O-CD2 3.26Å; G83-Y115 WeakPolarHBondContact O-CD2 3.27Å; G83-Y115 WeakPolarHBondContact O-CE2 3.41Å; Y115-D117 WeakPolarHBondContact CE1-OD1 3.38Å; Y115-D117 VanDerWaalsContact CZ-OD1 3.28Å; Y115-D117 PolarHBondContact OH-OD1 3.21Å
116N94.6Very high87.8Confident48 Ų4880.3 Ų80.326%0.25746%0.46SS..  trans-136.4119.3174.4-176.7-9.2000110.1G84 A114 E118 W119G84-N116 PolarHBondContact O-N 3.21Å; A114-N116 PolarHBondContact O-N 2.9Å; N116-E118 PolarHBondContact O-N 2.99Å; N116-E118 WeakPolarHBondContact OD1-CB 3.01Å; N116-E118 PolarHBondContact OD1-N 3.45Å; N116-W119 HydrophobicContact CB-CD2 3.72Å; N116-W119 HydrophobicContact CB-CE3 3.67Å; N116-W119 HydrophobicContact CB-CG 4.08Å; N116-W119 HydrophobicContact CB-CZ3 4.05Å; N116-W119 WeakPolarHBondContact O-CB 3.33Å; N116-W119 PolarHBondContact O-N 3.19Å
117D94.4Very high85.1Confident105 Ų10580.1 Ų80.156%0.56147%0.468SS*.G310 helixtrans-55.9-34.4177.8-73.4-42.5000112.9Y115 W119 L120Y115-D117 WeakPolarHBondContact CE1-OD1 3.38Å; Y115-D117 VanDerWaalsContact CZ-OD1 3.28Å; Y115-D117 PolarHBondContact OH-OD1 3.21Å; D117-W119 PolarHBondContact O-N 3.26Å; D117-W119 VanDerWaalsContact O-N 3.17Å; D117-L120 VanDerWaalsContact O-CB 3.27Å; D117-L120 WeakPolarHBondContact O-CB 3.33Å; D117-L120 VanDerWaalsContact O-CG 3.27Å; D117-L120 WeakPolarHBondContact O-CG 3.5Å; D117-L120 PolarHBondContact O-N 3.32Å; D117-L120 VanDerWaalsContact O-N 3.09Å
118E92.5Very high82.3Confident153 Ų15382.6 Ų82.672%0.71549%0.488SS*.G310 helixtrans-66.2-18.8179.9-60.4-179.217000113N116N116-E118 PolarHBondContact O-N 2.99Å; N116-E118 WeakPolarHBondContact OD1-CB 3.01Å; N116-E118 PolarHBondContact OD1-N 3.45Å
119W90.9Very high79.4Confident37 Ų3784.7 Ų84.714%0.1450%0.5CS..G310 helixtrans-87.5-8.7178.5-65.8-10.1000112.8P16 V81 L86 F112 N116 D117 G121 K122P16-W119 HydrophobicContact CG-CD2 4.25Å; P16-W119 HydrophobicContact CG-CG 3.92Å; V81-W119 HydrophobicContact CB-CB 4.48Å; V81-W119 HydrophobicContact CG1-CB 3.79Å; V81-W119 WeakPolarHBondContact CG1-O 3.25Å; V81-W119 HydrophobicContact CG2-CB 3.91Å; V81-W119 HydrophobicContact CG2-CG 4.25Å; L86-W119 HydrophobicContact CB-CD2 4.4Å; L86-W119 HydrophobicContact CB-CE3 3.66Å; L86-W119 HydrophobicContact CB-CH2 3.63Å; L86-W119 HydrophobicContact CB-CZ2 4.35Å; L86-W119 HydrophobicContact CB-CZ3 3.25Å; L86-W119 HydrophobicContact CD2-CH2 4.06Å; L86-W119 HydrophobicContact CD2-CZ2 4.36Å; L86-W119 HydrophobicContact CG-CH2 4.47Å; L86-W119 HydrophobicContact CG-CZ3 4.47Å; F112-W119 WeakPolarHBondContact O-CH2 3.04Å; F112-W119 WeakPolarHBondContact O-CZ3 3.38Å; N116-W119 HydrophobicContact CB-CD2 3.72Å; N116-W119 HydrophobicContact CB-CE3 3.67Å; N116-W119 HydrophobicContact CB-CG 4.08Å; N116-W119 HydrophobicContact CB-CZ3 4.05Å; N116-W119 WeakPolarHBondContact O-CB 3.33Å; N116-W119 PolarHBondContact O-N 3.19Å; D117-W119 PolarHBondContact O-N 3.26Å; D117-W119 VanDerWaalsContact O-N 3.17Å; W119-G121 PolarHBondContact O-N 3.26Å; W119-K122 WeakPolarHBondContact O-CB 3.39Å; W119-K122 PolarHBondContact O-N 2.81Å; W119-K122 VanDerWaalsContact O-N 3.08Å
120L88.7Confident76.5Confident92 Ų9284.8 Ų84.848%0.48250%0.5SS..THydrogen-bonded Turntrans-55.4137.4171.1-65.4173.4000110.6D117 K122D117-L120 VanDerWaalsContact O-CB 3.27Å; D117-L120 WeakPolarHBondContact O-CB 3.33Å; D117-L120 VanDerWaalsContact O-CG 3.27Å; D117-L120 WeakPolarHBondContact O-CG 3.5Å; D117-L120 PolarHBondContact O-N 3.32Å; D117-L120 VanDerWaalsContact O-N 3.09Å; L120-K122 PolarHBondContact O-N 3.05Å
121G84.7Confident73.6Confident78 Ų7890.7 Ų90.780%0.80452%0.519SS*.THydrogen-bonded Turntrans74.2-2.8-177.700000115.7W119 S123W119-G121 PolarHBondContact O-N 3.26Å; G121-S123 VanDerWaalsContact C-N 3.25Å; G121-S123 PolarHBondContact O-N 2.91Å
122K82.6Confident70.5Confident115 Ų11594.2 Ų94.250%0.555%0.546SS..  trans-89.325.3174-57.9-65.5-174.5-179.20113P16 N17 V81 W119 L120 G124P16-K122 HydrophobicContact CB-CB 4.01Å; P16-K122 HydrophobicContact CG-CB 4.49Å; N17-K122 PolarHBondContact ND2-O 3.47Å; N17-K122 PolarHBondContact OD1-O 3.21Å; V81-K122 HydrophobicContact CG2-CB 4.35Å; W119-K122 WeakPolarHBondContact O-CB 3.39Å; W119-K122 PolarHBondContact O-N 2.81Å; W119-K122 VanDerWaalsContact O-N 3.08Å; L120-K122 PolarHBondContact O-N 3.05Å; K122-G124 PolarHBondContact O-N 3.39Å
123S74.9Confident67.6Low69 Ų69100.5 Ų100.548%0.48358%0.576SS.*  trans-57.5127.4178.449.20000110.5G121 D125G121-S123 VanDerWaalsContact C-N 3.25Å; G121-S123 PolarHBondContact O-N 2.91Å; S123-D125 PolarHBondContact O-N 3.41Å
124G62.8Low65Low37 Ų37106.2 Ų106.238%0.38161%0.613SS.*  trans-70.114.4178.100000114.7N17 K122 S126N17-G124 WeakPolarHBondContact OD1-CA 3.33Å; N17-G124 PolarHBondContact OD1-N 2.9Å; K122-G124 PolarHBondContact O-N 3.39Å; G124-S126 PolarHBondContact O-N 3.18Å
125D54.2Low62.3Low108 Ų108110.1 Ų110.158%0.57863%0.632SS**  trans-8294.2176-152.2-15.4000108.7S123 S127S123-D125 PolarHBondContact O-N 3.41Å; D125-S127 PolarHBondContact O-N 2.65Å; D125-S127 VanDerWaalsContact O-N 3.08Å; D125-S127 WeakPolarHBondContact OD1-CB 3.2Å; D125-S127 PolarHBondContact OD1-N 3.23Å; D125-S127 VanDerWaalsContact OD1-N 3.13Å; D125-S127 PolarHBondContact OD1-OG 3.13Å; D125-S127 PolarHBondContact OD2-OG 3.08Å
126S42.6Very low59.6Low124 Ų124110.6 Ų110.687%0.86764%0.644SS**  trans-77.851.7160.3-53.20000109.3G124G124-S126 PolarHBondContact O-N 3.18Å
127S41.7Very low57.4Low73 Ų73117.5 Ų117.551%0.5167%0.671SS.*SBendtrans-111.8126.7160.3670000108D125 M129D125-S127 PolarHBondContact O-N 2.65Å; D125-S127 VanDerWaalsContact O-N 3.08Å; D125-S127 WeakPolarHBondContact OD1-CB 3.2Å; D125-S127 PolarHBondContact OD1-N 3.23Å; D125-S127 VanDerWaalsContact OD1-N 3.13Å; D125-S127 PolarHBondContact OD1-OG 3.13Å; D125-S127 PolarHBondContact OD2-OG 3.08Å; S127-M129 PolarHBondContact O-N 3.19Å
128S38.5Very low55.6Low112 Ų112124.4 Ų124.478%0.78370%0.7SS**  trans-41.5112.1-176.449.30000114.1S130S128-S130 VanDerWaalsContact C-N 3.32Å; S128-S130 PolarHBondContact O-N 3.27Å
129M38.1Very low53.8Low183 Ų183123 Ų12390%0.90170%0.699SS**  trans-86.683152.8-161.284.473.400107.5S127 K131S127-M129 PolarHBondContact O-N 3.19Å; M129-K131 PolarHBondContact O-N 3.3Å
130S37Very low51.8Low91 Ų91127.5 Ų127.564%0.63673%0.729SS**  trans-56.6121.8158.445.60000107.5S128 C132S128-S130 VanDerWaalsContact C-N 3.32Å; S128-S130 PolarHBondContact O-N 3.27Å; S130-C132 PolarHBondContact O-N 3.23Å
131K37.8Very low49.8Very low196 Ų196129.4 Ų129.485%0.85274%0.742SS**  trans-45.1114.4172.4-78175.5174.3177.50109.5M129 E133M129-K131 PolarHBondContact O-N 3.3Å; K131-E133 PolarHBondContact O-N 3.05Å
132C32.3Very low47.7Very low127 Ų127132.5 Ų132.586%0.85874%0.739SS**  trans-75.3101.2155.7-72.90000106.4S130S130-C132 PolarHBondContact O-N 3.23Å
133E38.9Very low45.5Very low172 Ų172133.6 Ų133.680%0.80475%0.754SS**  trans-60.8132.7167.3-88.2176.2135.500109.8K131 T135K131-E133 PolarHBondContact O-N 3.05Å; E133-T135 PolarHBondContact O-N 3.06Å
134P42.2Very low43.6Very low123 Ų123137.9 Ų137.980%0.79977%0.772SS**  trans-72118.817427.1-29.7000109.5N136P134-N136 PolarHBondContact O-N 3.31Å
135T41.9Very low42.2Very low134 Ų134145.1 Ų145.182%0.82280%0.8SS**  trans-69.4102.6170.8-7.70000108.3E133 K137E133-T135 PolarHBondContact O-N 3.06Å; T135-K137 PolarHBondContact O-N 3.28Å
136N40.5Very low41.3Very low146 Ų146147.9 Ų147.978%0.78182%0.817SS**  trans-71.8109.2168.3-158.348.1000107.7P134P134-N136 PolarHBondContact O-N 3.31Å
137K48.4Very low41.2Very low192 Ų192149.9 Ų149.984%0.83581%0.813SS**  trans-104.4113.8162.7-80.1-166.7176.1-166.10108T135T135-K137 PolarHBondContact O-N 3.28Å
138Q57Low41.1Very low250 Ų250156.9 Ų156.9100%1.16884%0.84SS**  trans-73.30153.8-73.9-179.8-27.600109.4

Retrieved 138 of 138 residues in 40.7 ms (Link to these results)

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