A0A077Z642_TRITR Loading...

Protein cbg17277

AlphaFold DB , UniProt , Accession A0A077Z642, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 418 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
1M35.4Very low43.5Very low248 Ų248130.2 Ų130.2100%1.22263%0.626SS**  0119.60-81.9161.2144.500109.5
2N32.7Very low46Very low150 Ų150136.4 Ų136.480%0.80264%0.641SS**  trans37.2101.1166.4-96.3-9.3000121.8
3K35.6Very low49Very low202 Ų202127.7 Ų127.788%0.87860%0.603SS**  -155101123.1-112.8173.5-175.1177.40110.4S5K3-S5 PolarHBondContact O-N 3.15Å; K3-S5 VanDerWaalsContact O-N 3.12Å
4R34.6Very low51.7Low205 Ų205123.2 Ų123.277%0.77459%0.585SS**  trans-65.299.8170.7-83.2171.3173.7-179.21.4109.5H6R4-H6 VanDerWaalsContact C-N 3.35Å; R4-H6 WeakPolarHBondContact CD-NE2 3.02Å; R4-H6 PolarHBondContact O-N 3.49Å
5S31.6Very low54.2Low111 Ų111119.4 Ų119.478%0.77657%0.569SS**  trans-78.587.6158.348.20000108.6K3 L7K3-S5 PolarHBondContact O-N 3.15Å; K3-S5 VanDerWaalsContact O-N 3.12Å; S5-L7 PolarHBondContact O-N 3.35Å
6H40.6Very low56.4Low76 Ų76117.3 Ų117.335%0.35256%0.561SS.*  trans-79.672.6170.8-85.3-62.4000110R4 F8R4-H6 VanDerWaalsContact C-N 3.35Å; R4-H6 WeakPolarHBondContact CD-NE2 3.02Å; R4-H6 PolarHBondContact O-N 3.49Å; H6-F8 HydrophobicContact CB-CD2 3.66Å; H6-F8 HydrophobicContact CB-CE2 3.41Å; H6-F8 VanDerWaalsContact CB-CE2 3.41Å; H6-F8 HydrophobicContact CB-CZ 4.4Å; H6-F8 AromaticContact CE1-CE2 3.56Å; H6-F8 AromaticContact CE1-CZ 3.28Å; H6-F8 WeakPolarHBondContact CE1-CZ 3.47Å; H6-F8 AromaticContact CG-CE2 3.27Å; H6-F8 AromaticContact CG-CZ 3.84Å; H6-F8 AromaticContact ND1-CD2 3.71Å; H6-F8 AromaticContact ND1-CE1 3.85Å; H6-F8 AromaticContact ND1-CE2 2.78Å; H6-F8 WeakPolarHBondContact ND1-CE2 3.45Å; H6-F8 AromaticContact ND1-CZ 2.87Å; H6-F8 WeakPolarHBondContact ND1-CZ 3.47Å
7L39.6Very low58.3Low122 Ų122114.1 Ų114.164%0.63955%0.553SS**  trans-93.989.3167.6-156.282.5000107.6S5S5-L7 PolarHBondContact O-N 3.35Å
8F57.7Low59.8Low38 Ų38109.2 Ų109.217%0.16754%0.537CS..  trans-89.1-23-166.6-82.6-82.6000115.6H6 T28 K29 K30 F145H6-F8 HydrophobicContact CB-CD2 3.66Å; H6-F8 HydrophobicContact CB-CE2 3.41Å; H6-F8 VanDerWaalsContact CB-CE2 3.41Å; H6-F8 HydrophobicContact CB-CZ 4.4Å; H6-F8 AromaticContact CE1-CE2 3.56Å; H6-F8 AromaticContact CE1-CZ 3.28Å; H6-F8 WeakPolarHBondContact CE1-CZ 3.47Å; H6-F8 AromaticContact CG-CE2 3.27Å; H6-F8 AromaticContact CG-CZ 3.84Å; H6-F8 AromaticContact ND1-CD2 3.71Å; H6-F8 AromaticContact ND1-CE1 3.85Å; H6-F8 AromaticContact ND1-CE2 2.78Å; H6-F8 WeakPolarHBondContact ND1-CE2 3.45Å; H6-F8 AromaticContact ND1-CZ 2.87Å; H6-F8 WeakPolarHBondContact ND1-CZ 3.47Å; F8-T28 VanDerWaalsContact O-CA 3.29Å; F8-T28 WeakPolarHBondContact O-CA 3.29Å; F8-K29 PolarHBondContact O-N 3.4Å; F8-K30 HydrophobicContact CD1-CB 3.84Å; F8-K30 HydrophobicContact CD1-CD 4.24Å; F8-K30 HydrophobicContact CD1-CG 3.77Å; F8-K30 HydrophobicContact CE1-CB 3.57Å; F8-K30 HydrophobicContact CE1-CD 3.43Å; F8-K30 VanDerWaalsContact CE1-CD 3.43Å; F8-K30 HydrophobicContact CE1-CG 3.45Å; F8-K30 VanDerWaalsContact CE1-CG 3.45Å; F8-K30 HydrophobicContact CZ-CD 4.2Å; F8-F145 HydrophobicContact CB-CE1 3.69Å; F8-F145 HydrophobicContact CB-CZ 3.7Å; F8-F145 HydrophobicContact CD2-CE1 4.37Å; F8-F145 HydrophobicContact CG-CE1 4.12Å
9C56Low61.1Low25 Ų25108.6 Ų108.617%0.16954%0.544CS..BIsolated β-bridgetrans-92.3118.3168.4-60.40000108.1V26C9-V26 HydrophobicContact CB-CG1 4.28Å
10V53.5Low62.4Low66 Ų66109.4 Ų109.440%0.455%0.55SS.*  trans-79-26.6-171.8-170.80000111.6R27 K29V10-R27 PolarHBondContact N-O 3.15Å; V10-K29 HydrophobicContact CG2-CB 3.58Å; V10-K29 HydrophobicContact CG2-CD 3.78Å; V10-K29 HydrophobicContact CG2-CG 3.37Å
11R61Low63.8Low189 Ų189106.3 Ų106.371%0.71354%0.539SS*.SBendtrans-148.2168.2-173.1-70.9-171.6-179.7-174.9-0.3110.5
12Y73.2Confident66.4Low205 Ų20594.5 Ų94.580%0.80448%0.481SS*.PPolyproline II helixtrans-55147.8164.3-72.5-84000110.5
13P85.1Confident69.2Low23 Ų2389.9 Ų89.915%0.14946%0.455CS..PPolyproline II helixtrans-62.6146.2176.626.2-33.9000111.6I15 F24 I25 V26 Y157P13-I15 HydrophobicContact CB-CD1 4.1Å; P13-I15 HydrophobicContact CG-CD1 4.23Å; P13-F24 HydrophobicContact CB-CD2 3.9Å; P13-F24 HydrophobicContact CB-CE2 3.4Å; P13-F24 VanDerWaalsContact CB-CE2 3.4Å; P13-F24 HydrophobicContact CB-CZ 3.94Å; P13-F24 HydrophobicContact CG-CD2 4.37Å; P13-F24 HydrophobicContact CG-CE2 3.67Å; P13-F24 HydrophobicContact CG-CZ 4.41Å; P13-I25 CarbonylContact C-O 3.5Å; P13-I25 VanDerWaalsContact CA-O 3.26Å; P13-I25 WeakPolarHBondContact CA-O 3.36Å; P13-I25 WeakPolarHBondContact CB-O 3.23Å; P13-V26 HydrophobicContact CB-CG2 3.84Å; P13-Y157 HydrophobicContact CG-CD1 3.88Å; P13-Y157 HydrophobicContact CG-CE1 4.11Å; P13-Y157 HydrophobicContact CG-CG 4.1Å
14D86.8Confident71.8Confident65 Ų6580.3 Ų80.335%0.34841%0.413SS..EExtended strand (participates in β ladder)trans-83125.2168.1-62.3-37.6000107.4I25 R27D14-I25 HydrophobicContact CB-CB 4.24Å; D14-I25 PolarHBondContact N-O 3.11Å; D14-I25 PolarHBondContact O-N 3.18Å; D14-R27 IonicContact OD2-CZ 3.61Å; D14-R27 IonicContact OD2-NE 3.13Å; D14-R27 PolarHBondContact OD2-NE 2.88Å; D14-R27 VanDerWaalsContact OD2-NE 3.13Å; D14-R27 IonicContact OD2-NH2 3.21Å; D14-R27 PolarHBondContact OD2-NH2 3.38Å
15I89.4Confident74.3Confident66 Ų6671.7 Ų71.734%0.33838%0.382SS..EExtended strand (participates in β ladder)trans-115.3124.3-179.8-51.8-58.7000109P13 I22 E23 F24 I159P13-I15 HydrophobicContact CB-CD1 4.1Å; P13-I15 HydrophobicContact CG-CD1 4.23Å; I15-I22 HydrophobicContact CG2-CG2 4.12Å; I15-E23 WeakPolarHBondContact CA-O 3.35Å; I15-F24 HydrophobicContact CD1-CB 4.34Å; I15-F24 HydrophobicContact CD1-CD2 3.46Å; I15-F24 VanDerWaalsContact CD1-CD2 3.46Å; I15-F24 HydrophobicContact CD1-CE2 4.23Å; I15-F24 HydrophobicContact CD1-CG 4.31Å; I15-I159 HydrophobicContact CD1-CD1 3.98Å; I15-I159 HydrophobicContact CD1-CG1 4.03Å; I15-I159 HydrophobicContact CG2-CG2 3.73Å
16I89.7Confident76.8Confident86 Ų8666.4 Ų66.444%0.44135%0.345SS..EExtended strand (participates in β ladder)trans-115.3110.6178.2-51.8175.8000108.7G18 I22 E23 I25I16-G18 PolarHBondContact O-N 3.41Å; I16-I22 WeakPolarHBondContact O-CA 3.25Å; I16-E23 HydrophobicContact CB-CB 4.14Å; I16-E23 PolarHBondContact N-O 3.34Å; I16-E23 PolarHBondContact O-N 2.99Å; I16-I25 HydrophobicContact CD1-CD1 3.83Å
17C89.3Confident78.8Confident63 Ų6369.9 Ų69.943%0.42636%0.355SS..EExtended strand (participates in β ladder)trans-86.191175.9-54.50000109.6C161C17-C161 HydrophobicContact CB-CB 3.68Å; C17-C161 WeakPolarHBondContact CB-SG 3.46Å; C17-C161 WeakPolarHBondContact SG-CB 3.5Å; C17-C161 CovalentContact SG-SG 2.03Å; C17-C161 PolarHBondContact SG-SG 2.85Å
18G84.9Confident80.5Confident26 Ų2665.6 Ų65.627%0.26833%0.334SS..  trans-80.6173.3175.700000112.8I16 D20 S21 Y163I16-G18 PolarHBondContact O-N 3.41Å; G18-D20 VanDerWaalsContact C-N 3.31Å; G18-D20 PolarHBondContact O-N 3.46Å; G18-S21 CarbonylContact C-O 3.58Å; G18-S21 WeakPolarHBondContact CA-O 3.48Å; G18-S21 PolarHBondContact N-O 2.9Å; G18-Y163 WeakPolarHBondContact O-CE1 3.39Å; G18-Y163 VanDerWaalsContact O-CZ 3.29Å; G18-Y163 PolarHBondContact O-OH 3.43Å
19S84.1Confident81.2Confident97 Ų9770.4 Ų70.468%0.67836%0.355SS*.SBendtrans-69-29177.561.60000113.6L119S19-L119 WeakPolarHBondContact O-CD1 2.78Å
20D87.4Confident82Confident124 Ų12474.1 Ų74.166%0.66337%0.368SS*.SBendtrans-121.2-17.6-170.8-57.8-0.8000112.3G18 G118 L119G18-D20 VanDerWaalsContact C-N 3.31Å; G18-D20 PolarHBondContact O-N 3.46Å; D20-G118 WeakPolarHBondContact O-CA 3.5Å; D20-L119 PolarHBondContact O-N 3.34Å
21S92.2Very high83.1Confident46 Ų4674.6 Ų74.632%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-153.3157.617963.40000112.3G18 V117G18-S21 CarbonylContact C-O 3.58Å; G18-S21 WeakPolarHBondContact CA-O 3.48Å; G18-S21 PolarHBondContact N-O 2.9Å; S21-V117 CarbonylContact C-O 3.58Å; S21-V117 WeakPolarHBondContact CA-O 3.45Å; S21-V117 VanDerWaalsContact CB-O 3.29Å; S21-V117 WeakPolarHBondContact CB-O 3.5Å
22I89.7Confident84.1Confident0 Ų066.1 Ų66.10%034%0.341CS..EExtended strand (participates in β ladder)trans-108.8120.8173.6-61.2167.6000108I15 I16 V117 L119 M124 M137 F139 I159 C161I15-I22 HydrophobicContact CG2-CG2 4.12Å; I16-I22 WeakPolarHBondContact O-CA 3.25Å; I22-V117 PolarHBondContact N-O 2.99Å; I22-V117 PolarHBondContact O-N 3.28Å; I22-L119 HydrophobicContact CD1-CD2 3.71Å; I22-L119 HydrophobicContact CG1-CD2 3.71Å; I22-M124 HydrophobicContact CD1-SD 3.9Å; I22-M137 HydrophobicContact CD1-CB 4.14Å; I22-F139 HydrophobicContact CB-CE1 3.88Å; I22-F139 HydrophobicContact CB-CZ 4.1Å; I22-F139 HydrophobicContact CD1-CD1 4.45Å; I22-F139 HydrophobicContact CD1-CE1 3.78Å; I22-F139 HydrophobicContact CG1-CE1 4.43Å; I22-F139 HydrophobicContact CG2-CE1 3.81Å; I22-F139 HydrophobicContact CG2-CZ 3.94Å; I22-I159 HydrophobicContact CG2-CG2 3.87Å; I22-C161 HydrophobicContact CD1-CB 3.74Å; I22-C161 HydrophobicContact CG1-CB 4.24Å
23E90.6Very high84.4Confident53 Ų5361.5 Ų61.525%0.24833%0.329CS..EExtended strand (participates in β ladder)trans-99128.1179.6-162.3177.4-171.100110.6I15 I16 I25 I115 A116I15-E23 WeakPolarHBondContact CA-O 3.35Å; I16-E23 HydrophobicContact CB-CB 4.14Å; I16-E23 PolarHBondContact N-O 3.34Å; I16-E23 PolarHBondContact O-N 2.99Å; E23-I25 HydrophobicContact CG-CD1 4.15Å; E23-I25 HydrophobicContact CG-CG1 3.9Å; E23-I115 WeakPolarHBondContact CA-O 3.36Å; E23-A116 HydrophobicContact CG-CB 4.44Å
24F90.2Very high84.5Confident0 Ų060.4 Ų60.40%032%0.323CS..EExtended strand (participates in β ladder)trans-109.7124.6174.2169.6-90.6000108.6P13 I15 V26 V36 Q114 I115 V141 Y157 I159P13-F24 HydrophobicContact CB-CD2 3.9Å; P13-F24 HydrophobicContact CB-CE2 3.4Å; P13-F24 VanDerWaalsContact CB-CE2 3.4Å; P13-F24 HydrophobicContact CB-CZ 3.94Å; P13-F24 HydrophobicContact CG-CD2 4.37Å; P13-F24 HydrophobicContact CG-CE2 3.67Å; P13-F24 HydrophobicContact CG-CZ 4.41Å; I15-F24 HydrophobicContact CD1-CB 4.34Å; I15-F24 HydrophobicContact CD1-CD2 3.46Å; I15-F24 VanDerWaalsContact CD1-CD2 3.46Å; I15-F24 HydrophobicContact CD1-CE2 4.23Å; I15-F24 HydrophobicContact CD1-CG 4.31Å; F24-V26 HydrophobicContact CD1-CG2 4.17Å; F24-V26 HydrophobicContact CE1-CB 4.4Å; F24-V26 HydrophobicContact CE1-CG2 3.24Å; F24-V26 HydrophobicContact CE2-CG2 4.08Å; F24-V26 HydrophobicContact CZ-CG2 3.18Å; F24-V36 HydrophobicContact CD1-CG1 4.04Å; F24-V36 HydrophobicContact CE1-CG1 4.02Å; F24-Q114 CarbonylContact O-C 3.47Å; F24-Q114 WeakPolarHBondContact O-CA 3.32Å; F24-Q114 WeakPolarHBondContact O-CB 3.38Å; F24-I115 HydrophobicContact CB-CG2 3.88Å; F24-I115 HydrophobicContact CD1-CG2 4.03Å; F24-I115 HydrophobicContact CG-CG2 4.34Å; F24-I115 PolarHBondContact N-O 3.46Å; F24-I115 PolarHBondContact O-N 2.93Å; F24-V141 HydrophobicContact CB-CG2 4.45Å; F24-V141 HydrophobicContact CD1-CG1 3.73Å; F24-V141 HydrophobicContact CD2-CB 4.29Å; F24-V141 HydrophobicContact CD2-CG1 4.36Å; F24-V141 HydrophobicContact CE1-CG1 3.71Å; F24-V141 HydrophobicContact CE2-CB 4.37Å; F24-V141 HydrophobicContact CE2-CG1 4.36Å; F24-V141 HydrophobicContact CG-CB 4.35Å; F24-V141 HydrophobicContact CG-CG1 4.05Å; F24-V141 HydrophobicContact CG-CG2 4.37Å; F24-V141 HydrophobicContact CZ-CB 4.49Å; F24-V141 HydrophobicContact CZ-CG1 4.04Å; F24-Y157 AromaticContact CE2-CD2 3.7Å; F24-Y157 HydrophobicContact CE2-CD2 3.7Å; F24-Y157 HydrophobicContact CE2-CE2 4.45Å; F24-Y157 AromaticContact CE2-CG 3.97Å; F24-Y157 HydrophobicContact CE2-CG 3.97Å; F24-Y157 AromaticContact CZ-CD2 3.55Å; F24-Y157 HydrophobicContact CZ-CD2 3.55Å; F24-Y157 HydrophobicContact CZ-CE2 4.03Å; F24-Y157 HydrophobicContact CZ-CG 4.3Å; F24-I159 HydrophobicContact CB-CD1 3.87Å; F24-I159 HydrophobicContact CD2-CD1 3.56Å; F24-I159 HydrophobicContact CD2-CG1 4.33Å; F24-I159 HydrophobicContact CE2-CD1 4.46Å; F24-I159 HydrophobicContact CG-CD1 4.08Å
25I87.8Confident84.6Confident25 Ų2558.8 Ų58.813%0.12831%0.312CS..EExtended strand (participates in β ladder)trans-130.2130.5-176.4-51.3170.6000109P13 D14 I16 E23 I112 Q114P13-I25 CarbonylContact C-O 3.5Å; P13-I25 VanDerWaalsContact CA-O 3.26Å; P13-I25 WeakPolarHBondContact CA-O 3.36Å; P13-I25 WeakPolarHBondContact CB-O 3.23Å; D14-I25 HydrophobicContact CB-CB 4.24Å; D14-I25 PolarHBondContact N-O 3.11Å; D14-I25 PolarHBondContact O-N 3.18Å; I16-I25 HydrophobicContact CD1-CD1 3.83Å; E23-I25 HydrophobicContact CG-CD1 4.15Å; E23-I25 HydrophobicContact CG-CG1 3.9Å; I25-I112 HydrophobicContact CG2-CG2 3.6Å; I25-Q114 HydrophobicContact CB-CB 4.43Å; I25-Q114 HydrophobicContact CG1-CB 4.04Å; I25-Q114 HydrophobicContact CG2-CB 4.45Å
26V84.7Confident84.7Confident0 Ų055.6 Ų55.60%030%0.296CS..  trans-122.5125.9178.9174.10000110.2C9 P13 F24 T28 I112 P113 I143C9-V26 HydrophobicContact CB-CG1 4.28Å; P13-V26 HydrophobicContact CB-CG2 3.84Å; F24-V26 HydrophobicContact CD1-CG2 4.17Å; F24-V26 HydrophobicContact CE1-CB 4.4Å; F24-V26 HydrophobicContact CE1-CG2 3.24Å; F24-V26 HydrophobicContact CE2-CG2 4.08Å; F24-V26 HydrophobicContact CZ-CG2 3.18Å; V26-T28 HydrophobicContact CG1-CG2 4.08Å; V26-I112 VanDerWaalsContact O-CG2 3.28Å; V26-I112 WeakPolarHBondContact O-CG2 3.46Å; V26-P113 PolarHBondContact N-O 2.94Å; V26-P113 VanDerWaalsContact O-CD 3.3Å; V26-P113 WeakPolarHBondContact O-CD 3.4Å; V26-I143 HydrophobicContact CB-CD1 4.22Å; V26-I143 HydrophobicContact CG1-CD1 3.97Å; V26-I143 HydrophobicContact CG2-CD1 4.34Å
27R81.5Confident84.9Confident148 Ų14852.1 Ų52.156%0.55828%0.278SS*.  trans-88.5116.5173.2-58.1-176.3-165.3-151.50.6110.7V10 D14V10-R27 PolarHBondContact N-O 3.15Å; D14-R27 IonicContact OD2-CZ 3.61Å; D14-R27 IonicContact OD2-NE 3.13Å; D14-R27 PolarHBondContact OD2-NE 2.88Å; D14-R27 VanDerWaalsContact OD2-NE 3.13Å; D14-R27 IonicContact OD2-NH2 3.21Å; D14-R27 PolarHBondContact OD2-NH2 3.38Å
28T76.3Confident85.1Confident33 Ų3349.3 Ų49.320%0.20226%0.258CS..BIsolated β-bridgetrans-100.8148.4178.758.70000112F8 V26 K30 F32 P113F8-T28 VanDerWaalsContact O-CA 3.29Å; F8-T28 WeakPolarHBondContact O-CA 3.29Å; V26-T28 HydrophobicContact CG1-CG2 4.08Å; T28-K30 VanDerWaalsContact C-N 3.29Å; T28-K30 WeakPolarHBondContact CB-O 3.46Å; T28-K30 PolarHBondContact OG1-O 2.9Å; T28-F32 HydrophobicContact CG2-CB 4.21Å; T28-P113 HydrophobicContact CG2-CG 4.04Å
29K72.1Confident85.5Confident139 Ų13954.7 Ų54.760%0.60427%0.27SS*.SBendtrans-74.4-21179.3-125.8165.7-146-175.20113.2F8 V10F8-K29 PolarHBondContact O-N 3.4Å; V10-K29 HydrophobicContact CG2-CB 3.58Å; V10-K29 HydrophobicContact CG2-CD 3.78Å; V10-K29 HydrophobicContact CG2-CG 3.37Å
30K73Confident85.8Confident102 Ų10253.2 Ų53.244%0.44327%0.271SS..SBendtrans-136.7167.4-178.8-51.5-152.4-162.8179.20108.6F8 T28 F32F8-K30 HydrophobicContact CD1-CB 3.84Å; F8-K30 HydrophobicContact CD1-CD 4.24Å; F8-K30 HydrophobicContact CD1-CG 3.77Å; F8-K30 HydrophobicContact CE1-CB 3.57Å; F8-K30 HydrophobicContact CE1-CD 3.43Å; F8-K30 VanDerWaalsContact CE1-CD 3.43Å; F8-K30 HydrophobicContact CE1-CG 3.45Å; F8-K30 VanDerWaalsContact CE1-CG 3.45Å; F8-K30 HydrophobicContact CZ-CD 4.2Å; T28-K30 VanDerWaalsContact C-N 3.29Å; T28-K30 WeakPolarHBondContact CB-O 3.46Å; T28-K30 PolarHBondContact OG1-O 2.9Å; K30-F32 PolarHBondContact O-N 2.85Å
31P75.8Confident86Confident76 Ų7648.3 Ų48.349%0.49424%0.244SC..  trans-59.7132.7177.2-4.318.7000108.9F110P31-F110 HydrophobicContact CB-CD1 3.86Å; P31-F110 HydrophobicContact CB-CE1 4.07Å; P31-F110 VanDerWaalsContact CD-CE1 3.42Å; P31-F110 HydrophobicContact CG-CD1 3.66Å; P31-F110 HydrophobicContact CG-CE1 3.34Å; P31-F110 HydrophobicContact CG-CZ 4.24Å
32F81.5Confident85.8Confident11 Ų1149.3 Ų49.35%0.04824%0.243CC..  trans-89.4118.1177176.2-105.3000108.9T28 K30 G34 V36 Y51 P113 I143 S144 F145T28-F32 HydrophobicContact CG2-CB 4.21Å; K30-F32 PolarHBondContact O-N 2.85Å; F32-G34 VanDerWaalsContact CE1-C 3.42Å; F32-V36 HydrophobicContact CE1-CG2 3.89Å; F32-V36 HydrophobicContact CZ-CG2 4.19Å; F32-Y51 AromaticContact CD1-CD2 3.86Å; F32-Y51 HydrophobicContact CD1-CD2 3.86Å; F32-Y51 AromaticContact CD1-CG 3.75Å; F32-Y51 HydrophobicContact CD1-CG 3.75Å; F32-Y51 AromaticContact CE1-CD2 3.75Å; F32-Y51 HydrophobicContact CE1-CD2 3.75Å; F32-Y51 HydrophobicContact CE1-CG 4.09Å; F32-Y51 WeakPolarHBondContact O-CB 3.41Å; F32-P113 HydrophobicContact CB-CG 3.32Å; F32-P113 HydrophobicContact CD1-CB 3.81Å; F32-P113 HydrophobicContact CD1-CG 3.35Å; F32-P113 HydrophobicContact CD2-CG 4.27Å; F32-P113 HydrophobicContact CE1-CB 4.18Å; F32-P113 HydrophobicContact CE1-CG 4.18Å; F32-P113 HydrophobicContact CG-CB 4.23Å; F32-P113 HydrophobicContact CG-CG 3.39Å; F32-I143 HydrophobicContact CD2-CD1 4.18Å; F32-I143 HydrophobicContact CD2-CG1 4.38Å; F32-I143 HydrophobicContact CE1-CG1 4.43Å; F32-I143 HydrophobicContact CE2-CD1 3.74Å; F32-I143 HydrophobicContact CE2-CG1 3.46Å; F32-I143 VanDerWaalsContact CE2-CG1 3.46Å; F32-I143 HydrophobicContact CZ-CD1 4Å; F32-I143 HydrophobicContact CZ-CG1 3.48Å; F32-I143 VanDerWaalsContact CZ-CG1 3.48Å; F32-S144 WeakPolarHBondContact CE2-O 3.42Å; F32-S144 WeakPolarHBondContact CZ-O 3.35Å; F32-F145 HydrophobicContact CD2-CD1 4.02Å; F32-F145 AromaticContact CD2-CE1 3.93Å; F32-F145 HydrophobicContact CD2-CE1 3.93Å; F32-F145 HydrophobicContact CE2-CD1 4.01Å; F32-F145 HydrophobicContact CE2-CE1 4.14Å; F32-F145 HydrophobicContact CE2-CG 4.38Å
33I80.5Confident85.7Confident108 Ų10852.9 Ų52.955%0.55428%0.28SS*.  trans-117.273.2178.5-53.4173.5000106.6
34G86.6Confident85.7Confident1 Ų152.7 Ų52.71%0.0128%0.281CS..SBendtrans-154.3-157.3-171.200000112.1F32 Y51 S144F32-G34 VanDerWaalsContact CE1-C 3.42Å; G34-Y51 PolarHBondContact O-N 3.44Å; G34-S144 CarbonylContact C-O 3.53Å; G34-S144 VanDerWaalsContact CA-O 3.24Å; G34-S144 WeakPolarHBondContact CA-O 3.14Å
35K89.3Confident85.7Confident30 Ų3057.5 Ų57.513%0.1331%0.312CS..EExtended strand (participates in β ladder)trans-132.6139.7-178.6-150.5-168.9-148-1620110.4Y37 H42 T48 R49 S144K35-Y37 HydrophobicContact CB-CD1 4.48Å; K35-Y37 HydrophobicContact CD-CD1 4.29Å; K35-H42 WeakPolarHBondContact CD-NE2 3.49Å; K35-H42 PolarHBondContact NZ-CE1 2.87Å; K35-H42 PolarHBondContact NZ-NE2 3.48Å; K35-H42 PolarHBondContact NZ-O 3.32Å; K35-T48 HydrophobicContact CD-CG2 3.55Å; K35-T48 HydrophobicContact CG-CG2 3.74Å; K35-R49 WeakPolarHBondContact CA-O 3.49Å; K35-S144 PolarHBondContact N-O 2.75Å; K35-S144 PolarHBondContact O-N 2.82Å
36V91.8Very high85.9Confident0 Ų062.1 Ų62.10%034%0.337CS..EExtended strand (participates in β ladder)trans-113.3126.5170-173.40000107.5F24 F32 T48 R49 Y51 P113 I115 V141 V142 I143F24-V36 HydrophobicContact CD1-CG1 4.04Å; F24-V36 HydrophobicContact CE1-CG1 4.02Å; F32-V36 HydrophobicContact CE1-CG2 3.89Å; F32-V36 HydrophobicContact CZ-CG2 4.19Å; V36-T48 CarbonylContact O-C 3.6Å; V36-T48 WeakPolarHBondContact O-CA 3.46Å; V36-R49 PolarHBondContact N-O 3.26Å; V36-R49 PolarHBondContact O-N 2.96Å; V36-Y51 HydrophobicContact CG2-CD2 4.34Å; V36-Y51 HydrophobicContact CG2-CE2 4.06Å; V36-P113 HydrophobicContact CG2-CB 4.03Å; V36-I115 HydrophobicContact CG1-CB 4.1Å; V36-I115 HydrophobicContact CG1-CG2 3.59Å; V36-V141 HydrophobicContact CG1-CG1 3.46Å; V36-V141 VanDerWaalsContact CG1-CG1 3.46Å; V36-V142 WeakPolarHBondContact CA-O 3.38Å; V36-I143 HydrophobicContact CG2-CG1 4.27Å
37Y93.6Very high86.4Confident13 Ų1362.1 Ų62.15%0.05134%0.337CS..EExtended strand (participates in β ladder)trans-150.6157.4-176.562.4-83.5000112.3K35 H42 C47 T48 V142 I150K35-Y37 HydrophobicContact CB-CD1 4.48Å; K35-Y37 HydrophobicContact CD-CD1 4.29Å; Y37-H42 AromaticContact CD1-CD2 3.85Å; Y37-H42 HydrophobicContact CD2-CB 3.81Å; Y37-H42 AromaticContact CE1-CD2 3.83Å; Y37-H42 HydrophobicContact CE2-CB 3.94Å; Y37-H42 HydrophobicContact CG-CB 4.42Å; Y37-H42 AromaticContact CG-CD2 3.95Å; Y37-H42 AromaticContact CZ-CD2 3.92Å; Y37-C47 WeakPolarHBondContact CA-O 3.33Å; Y37-T48 WeakPolarHBondContact CB-OG1 3.35Å; Y37-V142 HydrophobicContact CD1-CB 4.3Å; Y37-V142 HydrophobicContact CD2-CB 4.31Å; Y37-V142 HydrophobicContact CE1-CB 3.84Å; Y37-V142 HydrophobicContact CE1-CG1 3.83Å; Y37-V142 HydrophobicContact CE2-CB 3.83Å; Y37-V142 HydrophobicContact CE2-CG1 4.33Å; Y37-V142 HydrophobicContact CE2-CG2 4.04Å; Y37-V142 PolarHBondContact N-O 2.98Å; Y37-V142 PolarHBondContact O-N 2.98Å; Y37-V142 WeakPolarHBondContact OH-CG1 3.45Å; Y37-I150 WeakPolarHBondContact OH-CD1 3.24Å; Y37-I150 WeakPolarHBondContact OH-CG1 3.45Å
38V93.8Very high86.9Confident3 Ų355.8 Ų55.82%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-77.8134.4172.8-178.10000109.9G40 E41 C47 V117 C122 F139 T140V38-G40 PolarHBondContact O-N 2.9Å; V38-E41 HydrophobicContact CB-CB 4.05Å; V38-E41 HydrophobicContact CB-CG 4.17Å; V38-E41 HydrophobicContact CG1-CG 4.27Å; V38-E41 WeakPolarHBondContact O-CA 3.27Å; V38-E41 WeakPolarHBondContact O-CB 3.47Å; V38-E41 PolarHBondContact O-N 3.23Å; V38-C47 HydrophobicContact CB-CB 4.3Å; V38-C47 HydrophobicContact CG2-CB 4.25Å; V38-C47 PolarHBondContact N-O 2.96Å; V38-V117 HydrophobicContact CG2-CG2 3.7Å; V38-C122 HydrophobicContact CB-CB 4.15Å; V38-C122 HydrophobicContact CG1-CB 4.15Å; V38-C122 WeakPolarHBondContact CG1-O 3.44Å; V38-C122 HydrophobicContact CG2-CB 3.93Å; V38-F139 HydrophobicContact CG1-CB 4.3Å; V38-F139 HydrophobicContact CG1-CD2 4.04Å; V38-F139 HydrophobicContact CG2-CD2 3.86Å; V38-F139 HydrophobicContact CG2-CE2 4.11Å; V38-T140 CarbonylContact C-O 3.55Å; V38-T140 WeakPolarHBondContact CA-O 3.47Å
39R92.2Very high87.7Confident139 Ų13960.3 Ų60.353%0.52533%0.328SS..THydrogen-bonded Turntrans-55.7124.9179-178.5-179176.8167.61.4109.8E41 T140 V142R39-E41 VanDerWaalsContact C-N 3.34Å; R39-T140 HydrophobicContact CB-CG2 4.09Å; R39-T140 PolarHBondContact N-O 2.81Å; R39-V142 HydrophobicContact CB-CG2 4.2Å
40G90.7Very high88.5Confident67 Ų6756.4 Ų56.469%0.69132%0.319SS*.THydrogen-bonded Turntrans94.9-21.9-174.500000113.8V38V38-G40 PolarHBondContact O-N 2.9Å
41E92.3Very high89.1Confident21 Ų2153.9 Ų53.910%0.09831%0.306CS..  trans-108.323-172.1-62.1-59.412100113.7V38 R39 G43 N44 C47 T48 C122 H123V38-E41 HydrophobicContact CB-CB 4.05Å; V38-E41 HydrophobicContact CB-CG 4.17Å; V38-E41 HydrophobicContact CG1-CG 4.27Å; V38-E41 WeakPolarHBondContact O-CA 3.27Å; V38-E41 WeakPolarHBondContact O-CB 3.47Å; V38-E41 PolarHBondContact O-N 3.23Å; R39-E41 VanDerWaalsContact C-N 3.34Å; E41-G43 PolarHBondContact O-N 3.26Å; E41-G43 VanDerWaalsContact O-N 3.07Å; E41-N44 HydrophobicContact CB-CB 4.13Å; E41-N44 WeakPolarHBondContact O-CB 3.4Å; E41-N44 PolarHBondContact O-N 2.89Å; E41-N44 WeakPolarHBondContact OE2-CB 3.36Å; E41-N44 PolarHBondContact OE2-ND2 2.92Å; E41-C47 HydrophobicContact CB-CB 3.48Å; E41-C47 VanDerWaalsContact CB-CB 3.48Å; E41-C47 HydrophobicContact CG-CB 4.02Å; E41-T48 PolarHBondContact O-OG1 3.5Å; E41-C122 HydrophobicContact CG-CB 4.19Å; E41-H123 IonicContact OE1-CE1 3.91Å; E41-H123 PolarHBondContact OE1-CE1 3.35Å; E41-H123 IonicContact OE1-CG 3.41Å; E41-H123 IonicContact OE1-ND1 3.3Å; E41-H123 PolarHBondContact OE1-ND1 3.47Å
42H88.1Confident89.1Confident66 Ų6651.2 Ų51.231%0.30629%0.291SS..THydrogen-bonded Turntrans-56.2-31.4-173.3176.3-96.1000114.2K35 Y37 T48K35-H42 WeakPolarHBondContact CD-NE2 3.49Å; K35-H42 PolarHBondContact NZ-CE1 2.87Å; K35-H42 PolarHBondContact NZ-NE2 3.48Å; K35-H42 PolarHBondContact NZ-O 3.32Å; Y37-H42 AromaticContact CD1-CD2 3.85Å; Y37-H42 HydrophobicContact CD2-CB 3.81Å; Y37-H42 AromaticContact CE1-CD2 3.83Å; Y37-H42 HydrophobicContact CE2-CB 3.94Å; Y37-H42 HydrophobicContact CG-CB 4.42Å; Y37-H42 AromaticContact CG-CD2 3.95Å; Y37-H42 AromaticContact CZ-CD2 3.92Å; H42-T48 PolarHBondContact O-OG1 2.96Å
43G87.2Confident88.4Confident75 Ų7555.1 Ų55.177%0.77332%0.318SS*.THydrogen-bonded Turntrans-88.9-10.3177.800000114.5E41 P45E41-G43 PolarHBondContact O-N 3.26Å; E41-G43 VanDerWaalsContact O-N 3.07Å; G43-P45 WeakPolarHBondContact O-CD 3.43Å
44N91.6Very high87.4Confident50 Ų5057.3 Ų57.327%0.26733%0.329SS..  trans-86.6115.3-178-174.5-13.3000109.8E41 D46 C47 T48E41-N44 HydrophobicContact CB-CB 4.13Å; E41-N44 WeakPolarHBondContact O-CB 3.4Å; E41-N44 PolarHBondContact O-N 2.89Å; E41-N44 WeakPolarHBondContact OE2-CB 3.36Å; E41-N44 PolarHBondContact OE2-ND2 2.92Å; N44-D46 VanDerWaalsContact C-N 3.25Å; N44-D46 PolarHBondContact O-N 2.88Å; N44-D46 PolarHBondContact OD1-N 2.97Å; N44-D46 VanDerWaalsContact OD1-N 3.12Å; N44-C47 HydrophobicContact CB-CB 4.14Å; N44-C47 PolarHBondContact ND2-SG 3.36Å; N44-C47 PolarHBondContact O-N 3.37Å; N44-T48 VanDerWaalsContact O-CB 3.23Å; N44-T48 WeakPolarHBondContact O-CB 3.41Å; N44-T48 PolarHBondContact O-N 3.36Å; N44-T48 PolarHBondContact O-OG1 3Å
45P90.4Very high85.6Confident100 Ų10063.5 Ų63.565%0.64937%0.366SS*.G310 helixtrans-65.8-25.8-17727.7-35.1000113.2G43 C47 T48G43-P45 WeakPolarHBondContact O-CD 3.43Å; P45-C47 PolarHBondContact O-N 3.34Å; P45-T48 VanDerWaalsContact O-O 3.13Å
46D91.3Very high83.3Confident122 Ų12269.5 Ų69.565%0.65240%0.395SS*.G310 helixtrans-73.6-21.6178-63.2-33.7000112.1N44N44-D46 VanDerWaalsContact C-N 3.25Å; N44-D46 PolarHBondContact O-N 2.88Å; N44-D46 PolarHBondContact OD1-N 2.97Å; N44-D46 VanDerWaalsContact OD1-N 3.12Å
47C94.3Very high80.8Confident1 Ų175 Ų751%0.00743%0.43CS..G310 helixtrans-111.715.5-175.3-55.40000112.7Y37 V38 E41 N44 P45 I115 C122Y37-C47 WeakPolarHBondContact CA-O 3.33Å; V38-C47 HydrophobicContact CB-CB 4.3Å; V38-C47 HydrophobicContact CG2-CB 4.25Å; V38-C47 PolarHBondContact N-O 2.96Å; E41-C47 HydrophobicContact CB-CB 3.48Å; E41-C47 VanDerWaalsContact CB-CB 3.48Å; E41-C47 HydrophobicContact CG-CB 4.02Å; N44-C47 HydrophobicContact CB-CB 4.14Å; N44-C47 PolarHBondContact ND2-SG 3.36Å; N44-C47 PolarHBondContact O-N 3.37Å; P45-C47 PolarHBondContact O-N 3.34Å; C47-I115 VanDerWaalsContact C-CD1 3.47Å; C47-I115 VanDerWaalsContact O-CD1 3.3Å; C47-I115 WeakPolarHBondContact O-CD1 3.38Å; C47-C122 WeakPolarHBondContact CA-SG 3.33Å; C47-C122 HydrophobicContact CB-CB 3.76Å; C47-C122 WeakPolarHBondContact CB-SG 3.32Å; C47-C122 WeakPolarHBondContact SG-CA 3.28Å; C47-C122 WeakPolarHBondContact SG-CB 2.87Å; C47-C122 CovalentContact SG-SG 2.01Å; C47-C122 PolarHBondContact SG-SG 3.33Å
48T93.2Very high78.2Confident15 Ų1580.4 Ų80.49%0.09247%0.465CS..EExtended strand (participates in β ladder)trans-144.8139.1-172.2-62.70000112.1K35 V36 Y37 E41 H42 N44 P45K35-T48 HydrophobicContact CD-CG2 3.55Å; K35-T48 HydrophobicContact CG-CG2 3.74Å; V36-T48 CarbonylContact O-C 3.6Å; V36-T48 WeakPolarHBondContact O-CA 3.46Å; Y37-T48 WeakPolarHBondContact CB-OG1 3.35Å; E41-T48 PolarHBondContact O-OG1 3.5Å; H42-T48 PolarHBondContact O-OG1 2.96Å; N44-T48 VanDerWaalsContact O-CB 3.23Å; N44-T48 WeakPolarHBondContact O-CB 3.41Å; N44-T48 PolarHBondContact O-N 3.36Å; N44-T48 PolarHBondContact O-OG1 3Å; P45-T48 VanDerWaalsContact O-O 3.13Å
49R91.8Very high75.7Confident128 Ų12886.8 Ų86.848%0.48350%0.504SS..EExtended strand (participates in β ladder)trans-129.6120.8173.8-63.9-64.5-179.3-175.5-2.4110.3K35 V36 Y51 I115K35-R49 WeakPolarHBondContact CA-O 3.49Å; V36-R49 PolarHBondContact N-O 3.26Å; V36-R49 PolarHBondContact O-N 2.96Å; R49-Y51 HydrophobicContact CB-CE2 3.84Å; R49-I115 HydrophobicContact CG-CB 4.09Å; R49-I115 HydrophobicContact CG-CD1 4.27Å; R49-I115 HydrophobicContact CG-CG1 3.92Å
50S88.7Confident73.4Confident57 Ų5785.1 Ų85.140%0.39951%0.513SS..EExtended strand (participates in β ladder)trans-96.3135.8175.3-169.60000110.2Q147S50-Q147 PolarHBondContact OG-NE2 3.07Å
51Y86.9Confident70.9Confident48 Ų4892.8 Ų92.819%0.18852%0.522CS..  trans-113.715.1176.9-69.7-94.2000111.6F32 G34 V36 R49 A111 P113 Q114F32-Y51 AromaticContact CD1-CD2 3.86Å; F32-Y51 HydrophobicContact CD1-CD2 3.86Å; F32-Y51 AromaticContact CD1-CG 3.75Å; F32-Y51 HydrophobicContact CD1-CG 3.75Å; F32-Y51 AromaticContact CE1-CD2 3.75Å; F32-Y51 HydrophobicContact CE1-CD2 3.75Å; F32-Y51 HydrophobicContact CE1-CG 4.09Å; F32-Y51 WeakPolarHBondContact O-CB 3.41Å; G34-Y51 PolarHBondContact O-N 3.44Å; V36-Y51 HydrophobicContact CG2-CD2 4.34Å; V36-Y51 HydrophobicContact CG2-CE2 4.06Å; R49-Y51 HydrophobicContact CB-CE2 3.84Å; Y51-A111 HydrophobicContact CD1-CB 4.17Å; Y51-A111 HydrophobicContact CE1-CB 4.18Å; Y51-P113 HydrophobicContact CE2-CB 4.39Å; Y51-Q114 PolarHBondContact OH-N 3.4Å; Y51-Q114 PolarHBondContact OH-O 3.47Å
52A75.5Confident68.5Low20 Ų2097.5 Ų97.517%0.16555%0.554CS.*SBendtrans-67.3137169.900000109.9I54A52-I54 PolarHBondContact O-N 2.98Å
53P66.4Low66.6Low94 Ų94100.4 Ų100.461%0.6158%0.577SS**  trans-58.2128.217522.7-31.2000109.4V55P53-V55 PolarHBondContact O-N 3.04Å
54I59Low64.3Low154 Ų154103 Ų10379%0.7958%0.58SS**  trans-68.7102173.5-58.2169.5000106.3A52 Q56A52-I54 PolarHBondContact O-N 2.98Å; I54-Q56 VanDerWaalsContact C-N 3.27Å; I54-Q56 HydrophobicContact CG2-CG 4.35Å; I54-Q56 PolarHBondContact O-N 3.34Å
55V49.8Very low62.1Low130 Ų130106 Ų10679%0.78861%0.605SS**  trans-70.594.7163.1-177.10000105.4P53P53-V55 PolarHBondContact O-N 3.04Å
56Q41.4Very low60Low157 Ų157105.2 Ų105.273%0.73461%0.606SS**  trans-56.4128.8165.2-76.5-177-9.500106.4I54 T58I54-Q56 VanDerWaalsContact C-N 3.27Å; I54-Q56 HydrophobicContact CG2-CG 4.35Å; I54-Q56 PolarHBondContact O-N 3.34Å; Q56-T58 PolarHBondContact O-N 2.97Å
57P38.8Very low57.8Low116 Ų116106.6 Ų106.675%0.75361%0.614SS**  trans-58.9111.3168.5-8.321000105.1T59P57-T59 VanDerWaalsContact C-N 3.3Å; P57-T59 PolarHBondContact O-N 3.38Å
58T39.9Very low55.6Low126 Ų126113.8 Ų113.877%0.77366%0.657SS**  trans-57.6105.6168.147.10000105.2Q56 S60Q56-T58 PolarHBondContact O-N 2.97Å; T58-S60 PolarHBondContact O-N 3.03Å
59T40.1Very low53.3Low136 Ų136121.7 Ų121.783%0.83469%0.69SS**  trans-61.786.5163.539.50000105.4P57 R61P57-T59 VanDerWaalsContact C-N 3.3Å; P57-T59 PolarHBondContact O-N 3.38Å; T59-R61 VanDerWaalsContact C-N 3.26Å; T59-R61 PolarHBondContact O-N 3.47Å
60S43.1Very low51.1Low104 Ų104123.2 Ų123.273%0.72770%0.703SS**  trans-61.199.9168.653.10000105.9T58T58-S60 PolarHBondContact O-N 3.03Å
61R38.3Very low48.8Very low229 Ų229124.8 Ų124.886%0.86471%0.714SS**  trans-39.7120.4165.7-168.1177.6-162-179.74.4108.1T59 T63T59-R61 VanDerWaalsContact C-N 3.26Å; T59-R61 PolarHBondContact O-N 3.47Å; R61-T63 PolarHBondContact O-N 3.35Å
62P43.2Very low46.8Very low120 Ų120134.2 Ų134.278%0.77975%0.749SS**  trans-67.3113.3177.9-1124.9000107.7
63T47Very low45.4Very low127 Ų127142.1 Ų142.178%0.77978%0.775SS**  trans-61.3131.2162.51.70000107.9R61 S65R61-T63 PolarHBondContact O-N 3.35Å; T63-S65 PolarHBondContact O-N 2.98Å
64P40.4Very low44.6Very low129 Ų129146.3 Ų146.384%0.83879%0.791SS**  trans-78.795.9-176.331.6-30.9000108.5
65S44.9Very low44Very low113 Ų113148.4 Ų148.479%0.7979%0.789SS**  trans-93.8111.8160.559.30000108.1T63T63-S65 PolarHBondContact O-N 2.98Å
66A45.2Very low44.3Very low83 Ų83145.7 Ų145.769%0.68679%0.787SS**  trans-50.9155.7165.200000110.9
67D45.9Very low44.6Very low152 Ų152144.2 Ų144.281%0.81379%0.793SS**  trans73.191.7173.7-56-40.4000115.8
68V48Very low46.2Very low151 Ų151144 Ų14492%0.91579%0.791SS**  -165.3126110.6165.80000108.9
69K45.4Very low47.8Very low182 Ų182143.8 Ų143.879%0.79179%0.792SS**  trans-68.8157178.9-111.5170.2173.1176.30112.9
70E45.7Very low48.2Very low160 Ų160143 Ų14375%0.74879%0.791SS**  trans8783.6149.1-13073.9-135.300119.5
71S39.9Very low49.9Very low89 Ų89143.4 Ų143.462%0.62279%0.791SS**  47.9112115-160.40000119.6
72R45.6Very low51.6Low246 Ų246138.4 Ų138.493%0.92879%0.788SS**  -152.1102.4125.7-104.8174.4-157.1-166.66.1110.4L74R72-L74 PolarHBondContact O-N 3.5Å
73R45.8Very low52.3Low186 Ų186138.5 Ų138.570%0.70279%0.79SS**  trans-60.7118.6173.2-62-179.7-174.4-156.41.4110.4R75R73-R75 HydrophobicContact CB-CG 4.12Å; R73-R75 PolarHBondContact O-N 3.4Å
74L48.7Very low52.9Low183 Ų183138.3 Ų138.396%0.95879%0.791SS**  trans-79.393.7150-97.499.9000108R72R72-L74 PolarHBondContact O-N 3.5Å
75R46.3Very low53.5Low198 Ų198137.6 Ų137.675%0.74779%0.789SS**  trans-76.9120.4161-61.4-179.3-158.8-132.85.1106.7R73R73-R75 HydrophobicContact CB-CG 4.12Å; R73-R75 PolarHBondContact O-N 3.4Å
76G57.4Low53.3Low72 Ų72141 Ų14174%0.74280%0.798SS**  trans174.7-11.1176.200000118.4
77C47.4Very low53Low127 Ų127140.6 Ų140.686%0.85880%0.801SS**PPolyproline II helixtrans-95.5124.2175.6-67.10000110.9
78P72.5Confident52.8Low110 Ų110137.7 Ų137.771%0.71480%0.798SS**PPolyproline II helixtrans-64.2148.7170.526.7-32000110.4
79P72.6Confident52.2Low123 Ų123137 Ų13780%0.79980%0.795SS**PPolyproline II helixtrans-64141.7177.826.9-32.7000110.5
80C49.6Very low52.1Low119 Ų119138 Ų13880%0.80480%0.799SS**PPolyproline II helixtrans-59.6137.2173.4-51.70000109.6
81P77.2Confident51.8Low113 Ų113136.9 Ų136.973%0.73480%0.799SS**PPolyproline II helixtrans-62.1146.7175.124.8-31.9000110.8
82P75.1Confident51.5Low124 Ų124137.6 Ų137.681%0.80580%0.804SS**PPolyproline II helixtrans-62.9136.2178.525.2-32000110.7
83C57.3Low51.1Low121 Ų121135.5 Ų135.582%0.81880%0.797SS**PPolyproline II helixtrans-59.8136.7173.8-600000109.8S85C83-S85 PolarHBondContact O-N 3.33Å
84P60.5Low50.7Low123 Ų123138 Ų13880%0.79981%0.807SS**PPolyproline II helixtrans-62.5127.4177.9-14.527.4000109.8L86P84-L86 PolarHBondContact O-N 3.18Å
85S52.4Low50.4Low114 Ų114138.4 Ų138.480%0.79780%0.797SS**PPolyproline II helixtrans-58.4129.6169.2400000109.6C83 G87C83-S85 PolarHBondContact O-N 3.33Å; S85-G87 PolarHBondContact O-N 3Å
86L40.7Very low50.4Low185 Ų185134.8 Ų134.897%0.96980%0.799SS**SBendtrans-57.5104.5172.5-96.283.5000109P84P84-L86 PolarHBondContact O-N 3.18Å
87G39.8Very low49.6Very low74 Ų74138.9 Ų138.976%0.76380%0.803SS**  trans-179.446.8-177.600000113.5S85S85-G87 PolarHBondContact O-N 3Å
88A41.2Very low49.5Very low91 Ų91138.4 Ų138.475%0.75280%0.798SS**  trans-163.5105.7159.900000110.9F90A88-F90 PolarHBondContact O-N 3.19Å
89T35.9Very low47.9Very low136 Ų136139 Ų13983%0.83481%0.805SS**  trans-10.2108.4153.847.40000116.1
90F41.6Very low46.3Very low204 Ų204142 Ų14290%0.89581%0.811SS**  trans-152.6140.4151.4-126.8-92.8000111.7A88A88-F90 PolarHBondContact O-N 3.19Å
91N40.3Very low45.6Very low137 Ų137144.7 Ų144.773%0.73381%0.814SS**  trans-49.6126.1-164.6-73.8-33.4000116.6Y93N91-Y93 PolarHBondContact O-N 2.94Å
92S34.1Very low43.8Very low104 Ų104148.7 Ų148.773%0.72782%0.822SS**  trans35.273.1131177.50000117.3
93Y37.8Very low41.9Very low201 Ų201147.5 Ų147.579%0.78882%0.817SS**  trans-114.3102.6143.8-78.7-84.9000107.7N91 Y95N91-Y93 PolarHBondContact O-N 2.94Å; Y93-Y95 PolarHBondContact O-N 3.03Å; Y93-Y95 VanDerWaalsContact O-N 3.09Å
94R37Very low40.9Very low240 Ų240153.1 Ų153.191%0.90682%0.822SS**  trans-78.887.4-178.5-162.7-174.8-76.9-167.9-2.5108
95Y41.7Very low39.8Very low191 Ų191153.9 Ų153.975%0.74982%0.82SS**  trans-72.4129.6161.8-63.9-83.6000108.3Y93 L97Y93-Y95 PolarHBondContact O-N 3.03Å; Y93-Y95 VanDerWaalsContact O-N 3.09Å; Y95-L97 PolarHBondContact O-N 2.95Å
96P46.6Very low38.8Very low122 Ų122155.1 Ų155.179%0.79282%0.818SS**  trans-69.8115.1167.5-6.522.5000108.1
97L40.2Very low38.7Very low157 Ų157152 Ų15282%0.82281%0.806SS**  trans-53.6129.9164-92.9103.2000109Y95 S99Y95-L97 PolarHBondContact O-N 2.95Å; L97-S99 PolarHBondContact O-N 3.31Å
98P44.7Very low38.7Very low117 Ų117153.9 Ų153.976%0.7681%0.805SS**  trans-65.4120162.6-11.426.3000107.8M100P98-M100 PolarHBondContact O-N 3.34Å
99S40.6Very low38.9Very low124 Ų124155.5 Ų155.587%0.86781%0.805SS**  trans-53107.8171-60.70000110.2L97L97-S99 PolarHBondContact O-N 3.31Å
100M39Very low39.9Very low185 Ų185155.3 Ų155.391%0.91179%0.793SS**  trans-75115157.3-76.8-145.3-166.600108.4P98P98-M100 PolarHBondContact O-N 3.34Å
101M34.7Very low41.2Very low176 Ų176148.4 Ų148.487%0.86777%0.774SS**  trans-176.192.4138.9-105.9170.1102.600106.3
102H39.9Very low43.2Very low196 Ų196146 Ų14691%0.90776%0.76SS**  trans-117.5102.3150.6-89.3-68000107.2
103S33.8Very low45.7Very low99 Ų99141 Ų14169%0.69273%0.725SS**  trans-55.5140161.558.20000108.9D105S103-D105 PolarHBondContact O-N 2.92Å
104Y35.7Very low48.3Very low240 Ų240135.2 Ų135.294%0.94171%0.705SS**SBendtrans-51.691.8163.5-172.7-98.8000110.3
105D37.5Very low50.9Low139 Ų139123.9 Ų123.974%0.74366%0.663SS**  trans-158.8153.1159.1-152.3-1.5000110.2S103S103-D105 PolarHBondContact O-N 2.92Å
106D32.8Very low53.4Low140 Ų140117 Ų11775%0.74965%0.645SS**SBendtrans-65.9128.9-154.6-74.1-57.2000116.8
107T37.7Very low55.6Low118 Ų118111.2 Ų111.272%0.72461%0.607SS**  trans150.2132.8134.444.10000110.5V109T107-V109 PolarHBondContact O-N 3.41Å
108P39.6Very low58.1Low115 Ų115104.9 Ų104.975%0.74758%0.58SS**  trans-72.694.1178.530-30.8000108.6F110P108-F110 PolarHBondContact O-N 2.93Å
109V45.4Very low60.2Low125 Ų125101.7 Ų101.776%0.75856%0.556SS**  trans-57.6115.1167.2179.90000106.5T107 A111T107-V109 PolarHBondContact O-N 3.41Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.03Å
110F57.7Low62.4Low131 Ų13198.7 Ų98.758%0.57555%0.546SS*.  trans-56.897.8174.8-71.9-109.3000108P31 P108 I112P31-F110 HydrophobicContact CB-CD1 3.86Å; P31-F110 HydrophobicContact CB-CE1 4.07Å; P31-F110 VanDerWaalsContact CD-CE1 3.42Å; P31-F110 HydrophobicContact CG-CD1 3.66Å; P31-F110 HydrophobicContact CG-CE1 3.34Å; P31-F110 HydrophobicContact CG-CZ 4.24Å; P108-F110 PolarHBondContact O-N 2.93Å; F110-I112 PolarHBondContact O-N 3.27Å; F110-I112 VanDerWaalsContact O-N 3.09Å
111A69.2Low65Low60 Ų6093 Ų9350%0.49652%0.521SS..PPolyproline II helixtrans-61.6118.1178.700000108.5Y51 V109 P113Y51-A111 HydrophobicContact CD1-CB 4.17Å; Y51-A111 HydrophobicContact CE1-CB 4.18Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.03Å; A111-P113 VanDerWaalsContact O-CD 3.32Å; A111-P113 WeakPolarHBondContact O-CD 3.46Å
112I81.5Confident67.7Low85 Ų8585.1 Ų85.144%0.43648%0.483SS..PPolyproline II helixtrans-69.6124178.6-59.2176.3000107.2I25 V26 F110 Q114I25-I112 HydrophobicContact CG2-CG2 3.6Å; V26-I112 VanDerWaalsContact O-CG2 3.28Å; V26-I112 WeakPolarHBondContact O-CG2 3.46Å; F110-I112 PolarHBondContact O-N 3.27Å; F110-I112 VanDerWaalsContact O-N 3.09Å; I112-Q114 PolarHBondContact O-N 3.3Å
113P87.5Confident69.9Low0 Ų083.1 Ų83.10%047%0.474CS..PPolyproline II helixtrans-59.6121.1176.8-27.235.8000111.7V26 T28 F32 V36 Y51 A111 I143V26-P113 PolarHBondContact N-O 2.94Å; V26-P113 VanDerWaalsContact O-CD 3.3Å; V26-P113 WeakPolarHBondContact O-CD 3.4Å; T28-P113 HydrophobicContact CG2-CG 4.04Å; F32-P113 HydrophobicContact CB-CG 3.32Å; F32-P113 HydrophobicContact CD1-CB 3.81Å; F32-P113 HydrophobicContact CD1-CG 3.35Å; F32-P113 HydrophobicContact CD2-CG 4.27Å; F32-P113 HydrophobicContact CE1-CB 4.18Å; F32-P113 HydrophobicContact CE1-CG 4.18Å; F32-P113 HydrophobicContact CG-CB 4.23Å; F32-P113 HydrophobicContact CG-CG 3.39Å; V36-P113 HydrophobicContact CG2-CB 4.03Å; Y51-P113 HydrophobicContact CE2-CB 4.39Å; A111-P113 VanDerWaalsContact O-CD 3.32Å; A111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-I143 HydrophobicContact CB-CD1 4.42Å
114Q90.7Very high72.7Confident80 Ų8079.3 Ų79.337%0.37445%0.445SS..EExtended strand (participates in β ladder)trans-147.6153.3179.968-174.940.200112.8F24 I25 Y51 I112F24-Q114 CarbonylContact O-C 3.47Å; F24-Q114 WeakPolarHBondContact O-CA 3.32Å; F24-Q114 WeakPolarHBondContact O-CB 3.38Å; I25-Q114 HydrophobicContact CB-CB 4.43Å; I25-Q114 HydrophobicContact CG1-CB 4.04Å; I25-Q114 HydrophobicContact CG2-CB 4.45Å; Y51-Q114 PolarHBondContact OH-N 3.4Å; Y51-Q114 PolarHBondContact OH-O 3.47Å; I112-Q114 PolarHBondContact O-N 3.3Å
115I92.8Very high75.3Confident2 Ų272.2 Ų72.21%0.0142%0.417CS..EExtended strand (participates in β ladder)trans-144.6132.2171.1-174.6168.7000109.5E23 F24 V36 C47 R49 V117 V141E23-I115 WeakPolarHBondContact CA-O 3.36Å; F24-I115 HydrophobicContact CB-CG2 3.88Å; F24-I115 HydrophobicContact CD1-CG2 4.03Å; F24-I115 HydrophobicContact CG-CG2 4.34Å; F24-I115 PolarHBondContact N-O 3.46Å; F24-I115 PolarHBondContact O-N 2.93Å; V36-I115 HydrophobicContact CG1-CB 4.1Å; V36-I115 HydrophobicContact CG1-CG2 3.59Å; C47-I115 VanDerWaalsContact C-CD1 3.47Å; C47-I115 VanDerWaalsContact O-CD1 3.3Å; C47-I115 WeakPolarHBondContact O-CD1 3.38Å; R49-I115 HydrophobicContact CG-CB 4.09Å; R49-I115 HydrophobicContact CG-CD1 4.27Å; R49-I115 HydrophobicContact CG-CG1 3.92Å; I115-V117 HydrophobicContact CD1-CG2 4.25Å; I115-V117 HydrophobicContact CG1-CG2 4.09Å; I115-V141 HydrophobicContact CG2-CG1 4.1Å; I115-V141 HydrophobicContact CG2-CG2 4.37Å
116A93.3Very high77.8Confident45 Ų4573 Ų7337%0.37241%0.41SS..EExtended strand (participates in β ladder)trans-103.6121.4170.800000108.8E23E23-A116 HydrophobicContact CG-CB 4.44Å
117V93.3Very high80.6Confident1 Ų168.3 Ų68.31%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-109.8120.2-179.7176.70000108.5S21 I22 V38 I115 C122 F139S21-V117 CarbonylContact C-O 3.58Å; S21-V117 WeakPolarHBondContact CA-O 3.45Å; S21-V117 VanDerWaalsContact CB-O 3.29Å; S21-V117 WeakPolarHBondContact CB-O 3.5Å; I22-V117 PolarHBondContact N-O 2.99Å; I22-V117 PolarHBondContact O-N 3.28Å; V38-V117 HydrophobicContact CG2-CG2 3.7Å; I115-V117 HydrophobicContact CD1-CG2 4.25Å; I115-V117 HydrophobicContact CG1-CG2 4.09Å; V117-C122 HydrophobicContact CG1-CB 3.81Å; V117-F139 HydrophobicContact CB-CE2 3.98Å; V117-F139 HydrophobicContact CB-CZ 3.87Å; V117-F139 HydrophobicContact CG1-CE2 4.3Å; V117-F139 HydrophobicContact CG1-CZ 4.34Å; V117-F139 HydrophobicContact CG2-CD2 4.41Å; V117-F139 HydrophobicContact CG2-CE2 3.6Å; V117-F139 HydrophobicContact CG2-CZ 3.94Å
118G92.6Very high82.9Confident24 Ų2471.3 Ų71.325%0.24738%0.381CS..EExtended strand (participates in β ladder)trans-60.5143.9177.600000112.2D20 G120 T121D20-G118 WeakPolarHBondContact O-CA 3.5Å; G118-G120 PolarHBondContact O-N 3.35Å; G118-T121 PolarHBondContact N-OG1 3.01Å; G118-T121 PolarHBondContact O-N 3.47Å; G118-T121 PolarHBondContact O-OG1 2.95Å
119L89.2Confident84.7Confident50 Ų5067.2 Ų67.226%0.26235%0.354SS..THydrogen-bonded Turntrans-64.1122.7175.3-66.1-172.7000110.2S19 D20 I22 M124 M137 Y163S19-L119 WeakPolarHBondContact O-CD1 2.78Å; D20-L119 PolarHBondContact O-N 3.34Å; I22-L119 HydrophobicContact CD1-CD2 3.71Å; I22-L119 HydrophobicContact CG1-CD2 3.71Å; L119-M124 HydrophobicContact CB-CE 4.28Å; L119-M124 HydrophobicContact CD2-CE 3.95Å; L119-M124 HydrophobicContact CD2-SD 4.09Å; L119-M137 HydrophobicContact CD2-CG 4.36Å; L119-Y163 HydrophobicContact CD1-CE1 4.32Å; L119-Y163 HydrophobicContact CD1-CE2 4.24Å; L119-Y163 HydrophobicContact CD2-CE2 4.11Å
120G86.8Confident86.1Confident62 Ų6266 Ų6664%0.63934%0.343SS*.THydrogen-bonded Turntrans91.61.717900000114.2G118G118-G120 PolarHBondContact O-N 3.35Å
121T92.7Very high86.9Confident66 Ų6665.1 Ų65.141%0.40534%0.344SS..  trans-102.4178.4176.572.60000111.5G118 H123 M124G118-T121 PolarHBondContact N-OG1 3.01Å; G118-T121 PolarHBondContact O-N 3.47Å; G118-T121 PolarHBondContact O-OG1 2.95Å; T121-H123 VanDerWaalsContact C-N 3.28Å; T121-H123 PolarHBondContact O-N 3.44Å; T121-H123 VanDerWaalsContact O-N 3.14Å; T121-M124 WeakPolarHBondContact O-CB 3.29Å; T121-M124 PolarHBondContact O-N 3.03Å
122C92.4Very high87.4Confident9 Ų965.8 Ų65.86%0.06134%0.343CS..THydrogen-bonded Turntrans54.935173.2-530000115.7V38 E41 C47 V117 M124V38-C122 HydrophobicContact CB-CB 4.15Å; V38-C122 HydrophobicContact CG1-CB 4.15Å; V38-C122 WeakPolarHBondContact CG1-O 3.44Å; V38-C122 HydrophobicContact CG2-CB 3.93Å; E41-C122 HydrophobicContact CG-CB 4.19Å; C47-C122 WeakPolarHBondContact CA-SG 3.33Å; C47-C122 HydrophobicContact CB-CB 3.76Å; C47-C122 WeakPolarHBondContact CB-SG 3.32Å; C47-C122 WeakPolarHBondContact SG-CA 3.28Å; C47-C122 WeakPolarHBondContact SG-CB 2.87Å; C47-C122 CovalentContact SG-SG 2.01Å; C47-C122 PolarHBondContact SG-SG 3.33Å; V117-C122 HydrophobicContact CG1-CB 3.81Å; C122-M124 PolarHBondContact O-N 3.12Å; C122-M124 VanDerWaalsContact O-N 3.17Å
123H86.7Confident87.3Confident155 Ų15564.7 Ų64.772%0.71834%0.341SS*.THydrogen-bonded Turntrans50.536.7-174-61.8144.7000113.5E41 T121 R125E41-H123 IonicContact OE1-CE1 3.91Å; E41-H123 PolarHBondContact OE1-CE1 3.35Å; E41-H123 IonicContact OE1-CG 3.41Å; E41-H123 IonicContact OE1-ND1 3.3Å; E41-H123 PolarHBondContact OE1-ND1 3.47Å; T121-H123 VanDerWaalsContact C-N 3.28Å; T121-H123 PolarHBondContact O-N 3.44Å; T121-H123 VanDerWaalsContact O-N 3.14Å; H123-R125 PolarHBondContact O-N 3.04Å
124M91.1Very high87.2Confident18 Ų1864.8 Ų64.89%0.08934%0.343CS..PPolyproline II helixtrans-65.9123.6174.8-173.2-176.477.200110.3I22 L119 T121 C122 R126 M137 S138 F139I22-M124 HydrophobicContact CD1-SD 3.9Å; L119-M124 HydrophobicContact CB-CE 4.28Å; L119-M124 HydrophobicContact CD2-CE 3.95Å; L119-M124 HydrophobicContact CD2-SD 4.09Å; T121-M124 WeakPolarHBondContact O-CB 3.29Å; T121-M124 PolarHBondContact O-N 3.03Å; C122-M124 PolarHBondContact O-N 3.12Å; C122-M124 VanDerWaalsContact O-N 3.17Å; M124-R126 PolarHBondContact O-N 2.83Å; M124-M137 HydrophobicContact CE-CB 3.68Å; M124-M137 HydrophobicContact CE-CE 4.08Å; M124-M137 HydrophobicContact CE-CG 3.67Å; M124-M137 HydrophobicContact CE-SD 3.44Å; M124-M137 WeakPolarHBondContact CE-SD 3.3Å; M124-M137 HydrophobicContact CG-CB 4.41Å; M124-M137 HydrophobicContact SD-CB 3.81Å; M124-M137 HydrophobicContact SD-CG 4.44Å; M124-S138 CarbonylContact C-O 3.57Å; M124-S138 WeakPolarHBondContact CG-O 3.26Å; M124-F139 HydrophobicContact CB-CB 4.42Å; M124-F139 HydrophobicContact CG-CB 4.23Å; M124-F139 HydrophobicContact CG-CD1 3.92Å; M124-F139 HydrophobicContact CG-CG 4.44Å; M124-F139 HydrophobicContact SD-CD1 4.16Å
125R91.4Very high87Confident92 Ų9262 Ų6235%0.34733%0.331SS..EExtended strand (participates in β ladder)trans-76.3123.3179.9177.9177.5174.1166.4-0110H123 M137 S138 D289 Q291 N342H123-R125 PolarHBondContact O-N 3.04Å; R125-M137 CarbonylContact O-C 3.49Å; R125-M137 WeakPolarHBondContact O-CA 3.32Å; R125-S138 PolarHBondContact N-O 2.76Å; R125-S138 PolarHBondContact O-N 3Å; R125-S138 PolarHBondContact O-OG 3.31Å; R125-D289 IonicContact CZ-OD2 3.03Å; R125-D289 IonicContact NH1-OD2 3.23Å; R125-D289 PolarHBondContact NH1-OD2 2.85Å; R125-D289 IonicContact NH2-OD2 3.58Å; R125-Q291 VanDerWaalsContact NH2-CD 3.35Å; R125-N342 PolarHBondContact NH2-ND2 3.36Å; R125-N342 VanDerWaalsContact NH2-ND2 3.18Å
126R90.4Very high86.9Confident156 Ų15662 Ų6259%0.58933%0.332SS*.EExtended strand (participates in β ladder)trans-103.8124.7175.5180178.5-176.5-168.61.4110M124 V135 M137M124-R126 PolarHBondContact O-N 2.83Å; R126-V135 HydrophobicContact CG-CG1 3.47Å; R126-V135 VanDerWaalsContact CG-CG1 3.47Å; R126-M137 HydrophobicContact CB-CE 4.33Å; R126-M137 HydrophobicContact CB-SD 3.59Å; R126-M137 VanDerWaalsContact CB-SD 3.59Å; R126-M137 HydrophobicContact CG-CE 3.82Å; R126-M137 HydrophobicContact CG-SD 3.53Å; R126-M137 VanDerWaalsContact CG-SD 3.53Å
127Q89.8Confident86.7Confident40 Ų4060.9 Ų60.919%0.18732%0.319CS..EExtended strand (participates in β ladder)trans-128.8125.9175.8-179.9172.5-13.600109.4V135 A136 N342Q127-V135 CarbonylContact O-C 3.5Å; Q127-V135 WeakPolarHBondContact O-CA 3.28Å; Q127-A136 PolarHBondContact N-O 3.05Å; Q127-A136 PolarHBondContact O-N 3.2Å; Q127-N342 VanDerWaalsContact CD-ND2 3.33Å; Q127-N342 PolarHBondContact NE2-ND2 3.05Å; Q127-N342 VanDerWaalsContact NE2-ND2 3.11Å; Q127-N342 PolarHBondContact OE1-ND2 3.36Å
128R87Confident86.7Confident181 Ų18161.6 Ų61.668%0.68332%0.324SS*.EExtended strand (participates in β ladder)trans-73.4139.3169.3-73.8-179.2175.4158.3-2108.8G134 V135R128-G134 WeakPolarHBondContact CA-O 3.44Å; R128-V135 HydrophobicContact CG-CG2 4.32Å
129T77.4Confident86.8Confident29 Ų2961 Ų6118%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-117.4139.1171.261.10000107.6P132 P133 G134 A136 F162T129-P132 CarbonylContact C-O 3.57Å; T129-P132 PolarHBondContact OG1-O 3.47Å; T129-P133 VanDerWaalsContact O-CA 3.32Å; T129-P133 WeakPolarHBondContact O-CA 3.31Å; T129-G134 PolarHBondContact N-O 2.92Å; T129-G134 PolarHBondContact O-N 3.48Å; T129-A136 HydrophobicContact CG2-CB 4.2Å; T129-F162 HydrophobicContact CG2-CE2 4.29Å; T129-F162 WeakPolarHBondContact OG1-CE2 3.3Å; T129-F162 WeakPolarHBondContact OG1-CZ 3.43Å
130L75.6Confident86.9Confident101 Ų10159.7 Ų59.753%0.52931%0.309SS..EExtended strand (participates in β ladder)trans-94.6-26.2-176.2-66.3167.2000111.8E338L130-E338 WeakPolarHBondContact CD1-O 3.44Å
131N74.4Confident87.2Confident112 Ų11256.8 Ų56.860%0.59928%0.278SS*.THydrogen-bonded Turntrans-141104.5177.9-71-52.7000110.4M190N131-M190 PolarHBondContact ND2-SD 2.89Å; N131-M190 VanDerWaalsContact ND2-SD 3.38Å
132P77.9Confident87.1Confident74 Ų7454.2 Ų54.248%0.48126%0.263SS..THydrogen-bonded Turncis-65.9151.7-8.827.1-33.9000112.6T129 G134 F162T129-P132 CarbonylContact C-O 3.57Å; T129-P132 PolarHBondContact OG1-O 3.47Å; P132-G134 PolarHBondContact O-N 2.98Å; P132-F162 HydrophobicContact CB-CE1 4.11Å; P132-F162 HydrophobicContact CB-CZ 4.19Å; P132-F162 HydrophobicContact CG-CD1 4.4Å; P132-F162 HydrophobicContact CG-CE1 3.44Å; P132-F162 VanDerWaalsContact CG-CE1 3.44Å; P132-F162 HydrophobicContact CG-CZ 3.67Å; P132-F162 WeakPolarHBondContact O-CZ 3.14Å
133P80.7Confident87Confident61 Ų6153.8 Ų53.840%0.39626%0.26SS..EExtended strand (participates in β ladder)trans-64.7126.2176.326.8-33.9000110T129 E165T129-P133 VanDerWaalsContact O-CA 3.32Å; T129-P133 WeakPolarHBondContact O-CA 3.31Å; P133-E165 PolarHBondContact O-N 2.87Å
134G84.3Confident87Confident3 Ų346.5 Ų46.53%0.03123%0.226CC..EExtended strand (participates in β ladder)trans167-164.5178.700000113R128 T129 P132 Y163R128-G134 WeakPolarHBondContact CA-O 3.44Å; T129-G134 PolarHBondContact N-O 2.92Å; T129-G134 PolarHBondContact O-N 3.48Å; P132-G134 PolarHBondContact O-N 2.98Å; G134-Y163 CarbonylContact C-O 3.56Å; G134-Y163 WeakPolarHBondContact CA-O 3.43Å
135V88Confident86.7Confident22 Ų2247.8 Ų47.813%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-128.5118.4-177.5-177.50000109.1R126 Q127 R128 M137 Y163R126-V135 HydrophobicContact CG-CG1 3.47Å; R126-V135 VanDerWaalsContact CG-CG1 3.47Å; Q127-V135 CarbonylContact O-C 3.5Å; Q127-V135 WeakPolarHBondContact O-CA 3.28Å; R128-V135 HydrophobicContact CG-CG2 4.32Å; V135-M137 HydrophobicContact CG1-CE 3.74Å; V135-M137 HydrophobicContact CG1-CG 4.37Å; V135-M137 HydrophobicContact CG1-SD 3.82Å; V135-Y163 PolarHBondContact N-O 2.84Å; V135-Y163 PolarHBondContact O-N 2.9Å
136A89.3Confident86.3Confident2 Ų247 Ų472%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-86.5123.8168.400000109.8Q127 T129 C161 F162Q127-A136 PolarHBondContact N-O 3.05Å; Q127-A136 PolarHBondContact O-N 3.2Å; T129-A136 HydrophobicContact CG2-CB 4.2Å; A136-C161 CarbonylContact C-O 3.48Å; A136-C161 WeakPolarHBondContact CA-O 3.42Å; A136-F162 HydrophobicContact CB-CD2 4.22Å
137M90Very high85.6Confident20 Ų2043.3 Ų43.310%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-107.2129.9174.2-63.3-57.9-16000108.9I22 L119 M124 R125 R126 V135 R160 C161 Y163I22-M137 HydrophobicContact CD1-CB 4.14Å; L119-M137 HydrophobicContact CD2-CG 4.36Å; M124-M137 HydrophobicContact CE-CB 3.68Å; M124-M137 HydrophobicContact CE-CE 4.08Å; M124-M137 HydrophobicContact CE-CG 3.67Å; M124-M137 HydrophobicContact CE-SD 3.44Å; M124-M137 WeakPolarHBondContact CE-SD 3.3Å; M124-M137 HydrophobicContact CG-CB 4.41Å; M124-M137 HydrophobicContact SD-CB 3.81Å; M124-M137 HydrophobicContact SD-CG 4.44Å; R125-M137 CarbonylContact O-C 3.49Å; R125-M137 WeakPolarHBondContact O-CA 3.32Å; R126-M137 HydrophobicContact CB-CE 4.33Å; R126-M137 HydrophobicContact CB-SD 3.59Å; R126-M137 VanDerWaalsContact CB-SD 3.59Å; R126-M137 HydrophobicContact CG-CE 3.82Å; R126-M137 HydrophobicContact CG-SD 3.53Å; R126-M137 VanDerWaalsContact CG-SD 3.53Å; V135-M137 HydrophobicContact CG1-CE 3.74Å; V135-M137 HydrophobicContact CG1-CG 4.37Å; V135-M137 HydrophobicContact CG1-SD 3.82Å; M137-R160 WeakPolarHBondContact O-CA 3.45Å; M137-C161 PolarHBondContact N-O 2.82Å; M137-C161 PolarHBondContact O-N 3.13Å; M137-Y163 HydrophobicContact CB-CE2 4.23Å; M137-Y163 HydrophobicContact CG-CD2 3.98Å; M137-Y163 HydrophobicContact CG-CE2 3.93Å
138S93.1Very high85.1Confident16 Ų1647.8 Ų47.811%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-142.4143.8-175.663.20000114.2M124 R125 I159M124-S138 CarbonylContact C-O 3.57Å; M124-S138 WeakPolarHBondContact CG-O 3.26Å; R125-S138 PolarHBondContact N-O 2.76Å; R125-S138 PolarHBondContact O-N 3Å; R125-S138 PolarHBondContact O-OG 3.31Å; S138-I159 WeakPolarHBondContact CA-O 3.42Å; S138-I159 WeakPolarHBondContact CB-O 3.39Å
139F93.8Very high84.7Confident11 Ų1145.7 Ų45.75%0.04824%0.238CC..EExtended strand (participates in β ladder)trans-157.9167.9175.763.2-75.3000109.8I22 V38 V117 M124 V141 I159I22-F139 HydrophobicContact CB-CE1 3.88Å; I22-F139 HydrophobicContact CB-CZ 4.1Å; I22-F139 HydrophobicContact CD1-CD1 4.45Å; I22-F139 HydrophobicContact CD1-CE1 3.78Å; I22-F139 HydrophobicContact CG1-CE1 4.43Å; I22-F139 HydrophobicContact CG2-CE1 3.81Å; I22-F139 HydrophobicContact CG2-CZ 3.94Å; V38-F139 HydrophobicContact CG1-CB 4.3Å; V38-F139 HydrophobicContact CG1-CD2 4.04Å; V38-F139 HydrophobicContact CG2-CD2 3.86Å; V38-F139 HydrophobicContact CG2-CE2 4.11Å; V117-F139 HydrophobicContact CB-CE2 3.98Å; V117-F139 HydrophobicContact CB-CZ 3.87Å; V117-F139 HydrophobicContact CG1-CE2 4.3Å; V117-F139 HydrophobicContact CG1-CZ 4.34Å; V117-F139 HydrophobicContact CG2-CD2 4.41Å; V117-F139 HydrophobicContact CG2-CE2 3.6Å; V117-F139 HydrophobicContact CG2-CZ 3.94Å; M124-F139 HydrophobicContact CB-CB 4.42Å; M124-F139 HydrophobicContact CG-CB 4.23Å; M124-F139 HydrophobicContact CG-CD1 3.92Å; M124-F139 HydrophobicContact CG-CG 4.44Å; M124-F139 HydrophobicContact SD-CD1 4.16Å; F139-V141 HydrophobicContact CD2-CG2 3.68Å; F139-V141 HydrophobicContact CE2-CG2 3.22Å; F139-V141 HydrophobicContact CZ-CG2 4.21Å; F139-I159 HydrophobicContact CD1-CB 4.35Å; F139-I159 HydrophobicContact CE1-CB 4.08Å; F139-I159 HydrophobicContact CE1-CD1 4.29Å; F139-I159 HydrophobicContact CE1-CG2 3.97Å; F139-I159 HydrophobicContact CE2-CD1 3.81Å; F139-I159 HydrophobicContact CZ-CB 4.31Å; F139-I159 HydrophobicContact CZ-CD1 3.67Å; F139-I159 HydrophobicContact CZ-CG2 4.33Å; F139-I159 PolarHBondContact N-O 3.02Å; F139-I159 VanDerWaalsContact N-O 3.11Å; F139-I159 PolarHBondContact O-N 2.65Å
140T93.1Very high84.8Confident24 Ų2450.3 Ų50.315%0.14726%0.26CS..EExtended strand (participates in β ladder)trans-113.4123178.4-58.40000110V38 R39 A156 Y157V38-T140 CarbonylContact C-O 3.55Å; V38-T140 WeakPolarHBondContact CA-O 3.47Å; R39-T140 HydrophobicContact CB-CG2 4.09Å; R39-T140 PolarHBondContact N-O 2.81Å; T140-A156 HydrophobicContact CG2-CB 3.92Å; T140-Y157 CarbonylContact C-O 3.55Å; T140-Y157 WeakPolarHBondContact CA-O 3.46Å
141V91.5Very high84.9Confident0 Ų047.8 Ų47.80%025%0.249CC..EExtended strand (participates in β ladder)trans-98.3132.5173.9177.10000109.7F24 V36 I115 F139 A156 Y157 I159F24-V141 HydrophobicContact CB-CG2 4.45Å; F24-V141 HydrophobicContact CD1-CG1 3.73Å; F24-V141 HydrophobicContact CD2-CB 4.29Å; F24-V141 HydrophobicContact CD2-CG1 4.36Å; F24-V141 HydrophobicContact CE1-CG1 3.71Å; F24-V141 HydrophobicContact CE2-CB 4.37Å; F24-V141 HydrophobicContact CE2-CG1 4.36Å; F24-V141 HydrophobicContact CG-CB 4.35Å; F24-V141 HydrophobicContact CG-CG1 4.05Å; F24-V141 HydrophobicContact CG-CG2 4.37Å; F24-V141 HydrophobicContact CZ-CB 4.49Å; F24-V141 HydrophobicContact CZ-CG1 4.04Å; V36-V141 HydrophobicContact CG1-CG1 3.46Å; V36-V141 VanDerWaalsContact CG1-CG1 3.46Å; I115-V141 HydrophobicContact CG2-CG1 4.1Å; I115-V141 HydrophobicContact CG2-CG2 4.37Å; F139-V141 HydrophobicContact CD2-CG2 3.68Å; F139-V141 HydrophobicContact CE2-CG2 3.22Å; F139-V141 HydrophobicContact CZ-CG2 4.21Å; V141-A156 CarbonylContact O-C 3.46Å; V141-A156 VanDerWaalsContact O-CA 3.3Å; V141-A156 WeakPolarHBondContact O-CA 3.27Å; V141-Y157 PolarHBondContact N-O 3.39Å; V141-Y157 PolarHBondContact O-N 3.09Å; V141-I159 HydrophobicContact CB-CD1 4.1Å; V141-I159 HydrophobicContact CG2-CD1 3.41Å; V141-I159 VanDerWaalsContact CG2-CD1 3.41Å; V141-I159 HydrophobicContact CG2-CG1 4.46Å
142V91.4Very high85Confident13 Ų1352.5 Ų52.58%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-106.7124.4174.3-173.80000108.9V36 Y37 R39 R155 A156V36-V142 WeakPolarHBondContact CA-O 3.38Å; Y37-V142 HydrophobicContact CD1-CB 4.3Å; Y37-V142 HydrophobicContact CD2-CB 4.31Å; Y37-V142 HydrophobicContact CE1-CB 3.84Å; Y37-V142 HydrophobicContact CE1-CG1 3.83Å; Y37-V142 HydrophobicContact CE2-CB 3.83Å; Y37-V142 HydrophobicContact CE2-CG1 4.33Å; Y37-V142 HydrophobicContact CE2-CG2 4.04Å; Y37-V142 PolarHBondContact N-O 2.98Å; Y37-V142 PolarHBondContact O-N 2.98Å; Y37-V142 WeakPolarHBondContact OH-CG1 3.45Å; R39-V142 HydrophobicContact CB-CG2 4.2Å; V142-R155 CarbonylContact C-O 3.52Å; V142-R155 WeakPolarHBondContact CA-O 3.17Å; V142-A156 HydrophobicContact CG2-CB 4.14Å
143I89.5Confident85.1Confident0 Ų052.6 Ų52.60%026%0.26CS..EExtended strand (participates in β ladder)trans-98.6113.2166.7-175.4169.2000108V26 F32 V36 P113 D154 R155 Y157V26-I143 HydrophobicContact CB-CD1 4.22Å; V26-I143 HydrophobicContact CG1-CD1 3.97Å; V26-I143 HydrophobicContact CG2-CD1 4.34Å; F32-I143 HydrophobicContact CD2-CD1 4.18Å; F32-I143 HydrophobicContact CD2-CG1 4.38Å; F32-I143 HydrophobicContact CE1-CG1 4.43Å; F32-I143 HydrophobicContact CE2-CD1 3.74Å; F32-I143 HydrophobicContact CE2-CG1 3.46Å; F32-I143 VanDerWaalsContact CE2-CG1 3.46Å; F32-I143 HydrophobicContact CZ-CD1 4Å; F32-I143 HydrophobicContact CZ-CG1 3.48Å; F32-I143 VanDerWaalsContact CZ-CG1 3.48Å; V36-I143 HydrophobicContact CG2-CG1 4.27Å; P113-I143 HydrophobicContact CB-CD1 4.42Å; I143-D154 WeakPolarHBondContact O-CA 3.27Å; I143-D154 WeakPolarHBondContact O-CB 3.48Å; I143-R155 HydrophobicContact CG2-CB 3.8Å; I143-R155 WeakPolarHBondContact CG2-O 3.43Å; I143-R155 PolarHBondContact N-O 3.31Å; I143-R155 PolarHBondContact O-N 2.88Å; I143-Y157 HydrophobicContact CG2-CD2 4.48Å; I143-Y157 HydrophobicContact CG2-CE2 3.84Å
144S87.9Confident85.3Confident2 Ų250.6 Ų50.61%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-110.5132179.2-178.10000111.1F32 G34 K35 H146 F149 D154F32-S144 WeakPolarHBondContact CE2-O 3.42Å; F32-S144 WeakPolarHBondContact CZ-O 3.35Å; G34-S144 CarbonylContact C-O 3.53Å; G34-S144 VanDerWaalsContact CA-O 3.24Å; G34-S144 WeakPolarHBondContact CA-O 3.14Å; K35-S144 PolarHBondContact N-O 2.75Å; K35-S144 PolarHBondContact O-N 2.82Å; S144-H146 PolarHBondContact O-N 3.13Å; S144-H146 PolarHBondContact OG-N 3.21Å; S144-H146 PolarHBondContact OG-O 3.48Å; S144-F149 PolarHBondContact OG-O 3.35Å; S144-F149 VanDerWaalsContact OG-O 3.13Å; S144-D154 VanDerWaalsContact CA-CG 3.45Å; S144-D154 WeakPolarHBondContact CA-OD1 3.3Å; S144-D154 VanDerWaalsContact CB-OD2 3.27Å; S144-D154 WeakPolarHBondContact CB-OD2 3.38Å; S144-D154 PolarHBondContact OG-OD2 3.21Å
145F84.6Confident85.4Confident44 Ų4457.3 Ų57.319%0.19327%0.27CS..SBendtrans-81.93.6176.3-68.9-89000112.9F8 F32 I153 D154F8-F145 HydrophobicContact CB-CE1 3.69Å; F8-F145 HydrophobicContact CB-CZ 3.7Å; F8-F145 HydrophobicContact CD2-CE1 4.37Å; F8-F145 HydrophobicContact CG-CE1 4.12Å; F32-F145 HydrophobicContact CD2-CD1 4.02Å; F32-F145 AromaticContact CD2-CE1 3.93Å; F32-F145 HydrophobicContact CD2-CE1 3.93Å; F32-F145 HydrophobicContact CE2-CD1 4.01Å; F32-F145 HydrophobicContact CE2-CE1 4.14Å; F32-F145 HydrophobicContact CE2-CG 4.38Å; F145-I153 HydrophobicContact CB-CD1 3.63Å; F145-I153 HydrophobicContact CB-CG1 4.1Å; F145-I153 HydrophobicContact CD1-CD1 4.23Å; F145-I153 HydrophobicContact CD2-CB 4.22Å; F145-I153 HydrophobicContact CD2-CD1 3.66Å; F145-I153 HydrophobicContact CD2-CG1 3.66Å; F145-I153 HydrophobicContact CE2-CB 4.5Å; F145-I153 HydrophobicContact CE2-CD1 4.38Å; F145-I153 HydrophobicContact CE2-CG1 4.39Å; F145-I153 VanDerWaalsContact CE2-O 3.31Å; F145-I153 WeakPolarHBondContact CE2-O 3.44Å; F145-I153 HydrophobicContact CG-CD1 3.57Å; F145-I153 HydrophobicContact CG-CG1 4.05Å; F145-D154 PolarHBondContact N-OD1 2.94Å
146H82.3Confident85.5Confident75 Ų7559.4 Ų59.435%0.34729%0.29SS..SBendtrans-131147.6175.7-168.4-84.2000110.2S144 H148 F149 T151S144-H146 PolarHBondContact O-N 3.13Å; S144-H146 PolarHBondContact OG-N 3.21Å; S144-H146 PolarHBondContact OG-O 3.48Å; H146-H148 VanDerWaalsContact C-N 3.33Å; H146-H148 PolarHBondContact ND1-N 3.24Å; H146-H148 VanDerWaalsContact ND1-N 3.17Å; H146-H148 PolarHBondContact O-N 3.25Å; H146-F149 HydrophobicContact CB-CB 4.5Å; H146-F149 WeakPolarHBondContact CB-O 3.37Å; H146-F149 AromaticContact CE1-CD2 3.14Å; H146-F149 WeakPolarHBondContact CE1-CD2 3.16Å; H146-F149 AromaticContact CE1-CE2 3.71Å; H146-F149 AromaticContact ND1-CD2 3.37Å; H146-F149 WeakPolarHBondContact ND1-CD2 3.46Å; H146-F149 AromaticContact ND1-CG 3.82Å; H146-F149 PolarHBondContact ND1-N 2.97Å; H146-F149 VanDerWaalsContact ND1-N 3.16Å; H146-F149 AromaticContact NE2-CD2 3.83Å; H146-T151 HydrophobicContact CB-CG2 3.9Å
147Q76.3Confident85.6Confident80 Ų8061.7 Ų61.737%0.37430%0.298SS..SBendtrans-76-21.5-172.4-166.9161.90.600114S50S50-Q147 PolarHBondContact OG-NE2 3.07Å
148H78.2Confident85.7Confident133 Ų13367.5 Ų67.562%0.61633%0.325SS*.SBendtrans-130.8-12.1-173.3-60.8-57.9000115.3H146H146-H148 VanDerWaalsContact C-N 3.33Å; H146-H148 PolarHBondContact ND1-N 3.24Å; H146-H148 VanDerWaalsContact ND1-N 3.17Å; H146-H148 PolarHBondContact O-N 3.25Å
149F79.6Confident85.6Confident137 Ų13767 Ų6760%0.60132%0.321SS*.  trans-130.9143.9-170.9-62.3-57.2000109.7S144 H146S144-F149 PolarHBondContact OG-O 3.35Å; S144-F149 VanDerWaalsContact OG-O 3.13Å; H146-F149 HydrophobicContact CB-CB 4.5Å; H146-F149 WeakPolarHBondContact CB-O 3.37Å; H146-F149 AromaticContact CE1-CD2 3.14Å; H146-F149 WeakPolarHBondContact CE1-CD2 3.16Å; H146-F149 AromaticContact CE1-CE2 3.71Å; H146-F149 AromaticContact ND1-CD2 3.37Å; H146-F149 WeakPolarHBondContact ND1-CD2 3.46Å; H146-F149 AromaticContact ND1-CG 3.82Å; H146-F149 PolarHBondContact ND1-N 2.97Å; H146-F149 VanDerWaalsContact ND1-N 3.16Å; H146-F149 AromaticContact NE2-CD2 3.83Å
150I79.7Confident85.4Confident126 Ų12674.1 Ų74.165%0.64635%0.348SS*.  trans-86.3123.9170.6-59.1176.8000108Y37 D154Y37-I150 WeakPolarHBondContact OH-CD1 3.24Å; Y37-I150 WeakPolarHBondContact OH-CG1 3.45Å; I150-D154 WeakPolarHBondContact CA-OD2 3.42Å; I150-D154 HydrophobicContact CG2-CB 4.15Å
151T78.4Confident85.2Confident49 Ų4973 Ų7330%0.30134%0.341SS..  trans-110164.4-178.278.40000111.9H146 I153 D154H146-T151 HydrophobicContact CB-CG2 3.9Å; T151-I153 PolarHBondContact O-N 2.77Å; T151-I153 WeakPolarHBondContact OG1-CG1 3.08Å; T151-D154 VanDerWaalsContact N-CG 3.28Å; T151-D154 PolarHBondContact N-OD2 3.01Å; T151-D154 VanDerWaalsContact O-CB 3.27Å; T151-D154 WeakPolarHBondContact O-CB 3.45Å; T151-D154 PolarHBondContact O-N 3.07Å; T151-D154 PolarHBondContact OG1-OD1 3.06Å
152K76.3Confident85.2Confident210 Ų21076.6 Ų76.691%0.91336%0.357SS*.THydrogen-bonded Turntrans-57.8-23.3179-177172.5-178.6172.20114.1
153I78.2Confident84.9Confident77 Ų7778.7 Ų78.740%0.39536%0.364SS..THydrogen-bonded Turntrans-90.6-7.7-179.157.7166.6000113F145 T151F145-I153 HydrophobicContact CB-CD1 3.63Å; F145-I153 HydrophobicContact CB-CG1 4.1Å; F145-I153 HydrophobicContact CD1-CD1 4.23Å; F145-I153 HydrophobicContact CD2-CB 4.22Å; F145-I153 HydrophobicContact CD2-CD1 3.66Å; F145-I153 HydrophobicContact CD2-CG1 3.66Å; F145-I153 HydrophobicContact CE2-CB 4.5Å; F145-I153 HydrophobicContact CE2-CD1 4.38Å; F145-I153 HydrophobicContact CE2-CG1 4.39Å; F145-I153 VanDerWaalsContact CE2-O 3.31Å; F145-I153 WeakPolarHBondContact CE2-O 3.44Å; F145-I153 HydrophobicContact CG-CD1 3.57Å; F145-I153 HydrophobicContact CG-CG1 4.05Å; T151-I153 PolarHBondContact O-N 2.77Å; T151-I153 WeakPolarHBondContact OG1-CG1 3.08Å
154D85Confident84.4Confident18 Ų1885.3 Ų85.310%0.09640%0.396CS..  trans-68.2151.9178.1-62.2-1.3000110.6I143 S144 F145 I150 T151I143-D154 WeakPolarHBondContact O-CA 3.27Å; I143-D154 WeakPolarHBondContact O-CB 3.48Å; S144-D154 VanDerWaalsContact CA-CG 3.45Å; S144-D154 WeakPolarHBondContact CA-OD1 3.3Å; S144-D154 VanDerWaalsContact CB-OD2 3.27Å; S144-D154 WeakPolarHBondContact CB-OD2 3.38Å; S144-D154 PolarHBondContact OG-OD2 3.21Å; F145-D154 PolarHBondContact N-OD1 2.94Å; I150-D154 WeakPolarHBondContact CA-OD2 3.42Å; I150-D154 HydrophobicContact CG2-CB 4.15Å; T151-D154 VanDerWaalsContact N-CG 3.28Å; T151-D154 PolarHBondContact N-OD2 3.01Å; T151-D154 VanDerWaalsContact O-CB 3.27Å; T151-D154 WeakPolarHBondContact O-CB 3.45Å; T151-D154 PolarHBondContact O-N 3.07Å; T151-D154 PolarHBondContact OG1-OD1 3.06Å
155R87.4Confident83.6Confident145 Ų14591.7 Ų91.755%0.54743%0.426SS..EExtended strand (participates in β ladder)trans-132.4143.9-177.6-61.6-66.3179.5168.20.5110.2V142 I143 Y157V142-R155 CarbonylContact C-O 3.52Å; V142-R155 WeakPolarHBondContact CA-O 3.17Å; I143-R155 HydrophobicContact CG2-CB 3.8Å; I143-R155 WeakPolarHBondContact CG2-O 3.43Å; I143-R155 PolarHBondContact N-O 3.31Å; I143-R155 PolarHBondContact O-N 2.88Å; R155-Y157 HydrophobicContact CB-CE2 3.79Å
156A91.1Very high82.4Confident65 Ų6594.2 Ų94.254%0.53745%0.445SS..EExtended strand (participates in β ladder)trans-115.613317200000109T140 V141 V142T140-A156 HydrophobicContact CG2-CB 3.92Å; V141-A156 CarbonylContact O-C 3.46Å; V141-A156 VanDerWaalsContact O-CA 3.3Å; V141-A156 WeakPolarHBondContact O-CA 3.27Å; V142-A156 HydrophobicContact CG2-CB 4.14Å
157Y90.6Very high81.1Confident50 Ų5097.3 Ų97.320%0.19646%0.464CS..EExtended strand (participates in β ladder)trans-119123.9178.3-61.8-82.7000109P13 F24 T140 V141 I143 R155P13-Y157 HydrophobicContact CG-CD1 3.88Å; P13-Y157 HydrophobicContact CG-CE1 4.11Å; P13-Y157 HydrophobicContact CG-CG 4.1Å; F24-Y157 AromaticContact CE2-CD2 3.7Å; F24-Y157 HydrophobicContact CE2-CD2 3.7Å; F24-Y157 HydrophobicContact CE2-CE2 4.45Å; F24-Y157 AromaticContact CE2-CG 3.97Å; F24-Y157 HydrophobicContact CE2-CG 3.97Å; F24-Y157 AromaticContact CZ-CD2 3.55Å; F24-Y157 HydrophobicContact CZ-CD2 3.55Å; F24-Y157 HydrophobicContact CZ-CE2 4.03Å; F24-Y157 HydrophobicContact CZ-CG 4.3Å; T140-Y157 CarbonylContact C-O 3.55Å; T140-Y157 WeakPolarHBondContact CA-O 3.46Å; V141-Y157 PolarHBondContact N-O 3.39Å; V141-Y157 PolarHBondContact O-N 3.09Å; I143-Y157 HydrophobicContact CG2-CD2 4.48Å; I143-Y157 HydrophobicContact CG2-CE2 3.84Å; R155-Y157 HydrophobicContact CB-CE2 3.79Å
158Q92.2Very high79.9Confident142 Ų142101.8 Ų101.866%0.66448%0.482SS*.EExtended strand (participates in β ladder)trans-83.4114171.8-175.4172.62.500108.9
159I89.8Confident78.5Confident6 Ų6100.6 Ų100.63%0.03149%0.485CS..EExtended strand (participates in β ladder)trans-96.1136.5-179.6-58.2173.6000108.4I15 I22 F24 S138 F139 V141I15-I159 HydrophobicContact CD1-CD1 3.98Å; I15-I159 HydrophobicContact CD1-CG1 4.03Å; I15-I159 HydrophobicContact CG2-CG2 3.73Å; I22-I159 HydrophobicContact CG2-CG2 3.87Å; F24-I159 HydrophobicContact CB-CD1 3.87Å; F24-I159 HydrophobicContact CD2-CD1 3.56Å; F24-I159 HydrophobicContact CD2-CG1 4.33Å; F24-I159 HydrophobicContact CE2-CD1 4.46Å; F24-I159 HydrophobicContact CG-CD1 4.08Å; S138-I159 WeakPolarHBondContact CA-O 3.42Å; S138-I159 WeakPolarHBondContact CB-O 3.39Å; F139-I159 HydrophobicContact CD1-CB 4.35Å; F139-I159 HydrophobicContact CE1-CB 4.08Å; F139-I159 HydrophobicContact CE1-CD1 4.29Å; F139-I159 HydrophobicContact CE1-CG2 3.97Å; F139-I159 HydrophobicContact CE2-CD1 3.81Å; F139-I159 HydrophobicContact CZ-CB 4.31Å; F139-I159 HydrophobicContact CZ-CD1 3.67Å; F139-I159 HydrophobicContact CZ-CG2 4.33Å; F139-I159 PolarHBondContact N-O 3.02Å; F139-I159 VanDerWaalsContact N-O 3.11Å; F139-I159 PolarHBondContact O-N 2.65Å; V141-I159 HydrophobicContact CB-CD1 4.1Å; V141-I159 HydrophobicContact CG2-CD1 3.41Å; V141-I159 VanDerWaalsContact CG2-CD1 3.41Å; V141-I159 HydrophobicContact CG2-CG1 4.46Å
160R91Very high76.7Confident160 Ų160100.3 Ų100.360%0.60449%0.494SS*.EExtended strand (participates in β ladder)trans-139.1115175.3-170.9176.9-173.5177.61.5109.2M137M137-R160 WeakPolarHBondContact O-CA 3.45Å
161C89.1Confident75.1Confident2 Ų2100 Ų1001%0.01450%0.498CS..EExtended strand (participates in β ladder)trans-106.6141172.2-72.50000109C17 I22 A136 M137 Y163C17-C161 HydrophobicContact CB-CB 3.68Å; C17-C161 WeakPolarHBondContact CB-SG 3.46Å; C17-C161 WeakPolarHBondContact SG-CB 3.5Å; C17-C161 CovalentContact SG-SG 2.03Å; C17-C161 PolarHBondContact SG-SG 2.85Å; I22-C161 HydrophobicContact CD1-CB 3.74Å; I22-C161 HydrophobicContact CG1-CB 4.24Å; A136-C161 CarbonylContact C-O 3.48Å; A136-C161 WeakPolarHBondContact CA-O 3.42Å; M137-C161 PolarHBondContact N-O 2.82Å; M137-C161 PolarHBondContact O-N 3.13Å; C161-Y163 HydrophobicContact CB-CE2 3.75Å
162F89.8Confident73.6Confident75 Ų75102.4 Ų102.433%0.32952%0.517SS..EExtended strand (participates in β ladder)trans-117.2124178.9-178.8-113.8000110.5T129 P132 A136 M164T129-F162 HydrophobicContact CG2-CE2 4.29Å; T129-F162 WeakPolarHBondContact OG1-CE2 3.3Å; T129-F162 WeakPolarHBondContact OG1-CZ 3.43Å; P132-F162 HydrophobicContact CB-CE1 4.11Å; P132-F162 HydrophobicContact CB-CZ 4.19Å; P132-F162 HydrophobicContact CG-CD1 4.4Å; P132-F162 HydrophobicContact CG-CE1 3.44Å; P132-F162 VanDerWaalsContact CG-CE1 3.44Å; P132-F162 HydrophobicContact CG-CZ 3.67Å; P132-F162 WeakPolarHBondContact O-CZ 3.14Å; A136-F162 HydrophobicContact CB-CD2 4.22Å; F162-M164 HydrophobicContact CD1-CG 4Å; F162-M164 HydrophobicContact CE1-CB 4.42Å; F162-M164 HydrophobicContact CE1-CG 3.37Å; F162-M164 HydrophobicContact CZ-CG 4.16Å
163Y85.6Confident72.2Confident57 Ų5799.3 Ų99.322%0.22452%0.515CS..EExtended strand (participates in β ladder)trans-110.7108.7179.7-63.8-88.2000108.8G18 L119 G134 V135 M137 C161G18-Y163 WeakPolarHBondContact O-CE1 3.39Å; G18-Y163 VanDerWaalsContact O-CZ 3.29Å; G18-Y163 PolarHBondContact O-OH 3.43Å; L119-Y163 HydrophobicContact CD1-CE1 4.32Å; L119-Y163 HydrophobicContact CD1-CE2 4.24Å; L119-Y163 HydrophobicContact CD2-CE2 4.11Å; G134-Y163 CarbonylContact C-O 3.56Å; G134-Y163 WeakPolarHBondContact CA-O 3.43Å; V135-Y163 PolarHBondContact N-O 2.84Å; V135-Y163 PolarHBondContact O-N 2.9Å; M137-Y163 HydrophobicContact CB-CE2 4.23Å; M137-Y163 HydrophobicContact CG-CD2 3.98Å; M137-Y163 HydrophobicContact CG-CE2 3.93Å; C161-Y163 HydrophobicContact CB-CE2 3.75Å
164M79.9Confident70.9Confident138 Ų138102.7 Ų102.768%0.6853%0.533SS*.EExtended strand (participates in β ladder)trans-67.3136.5177.6-73.6177.1-76.900110.7F162 T166F162-M164 HydrophobicContact CD1-CG 4Å; F162-M164 HydrophobicContact CE1-CB 4.42Å; F162-M164 HydrophobicContact CE1-CG 3.37Å; F162-M164 HydrophobicContact CZ-CG 4.16Å; M164-T166 PolarHBondContact O-N 3.16Å
165E70.3Confident68.6Low136 Ų136107.6 Ų107.664%0.63657%0.569SS**  trans-76109.1166.5-168.4158.2-16000107.1P133 D167P133-E165 PolarHBondContact O-N 2.87Å; E165-D167 PolarHBondContact O-N 3.17Å
166T60.8Low66.8Low98 Ų98106 Ų10660%0.60158%0.576SS**  trans-76.4114.7174.855.90000108.3M164 K168M164-T166 PolarHBondContact O-N 3.16Å; T166-K168 PolarHBondContact O-N 2.85Å
167D54.9Low64.7Low140 Ų140106.8 Ų106.875%0.74959%0.589SS**  trans-64.385.5159.5-75.2-33.3000108E165 T169E165-D167 PolarHBondContact O-N 3.17Å; D167-T169 PolarHBondContact O-N 2.91Å
168K50.5Low63Low173 Ų173111.3 Ų111.375%0.75262%0.616SS**  trans-76.680.2166.3-66.7-170.5-177.4179.40107.1T166 V170T166-K168 PolarHBondContact O-N 2.85Å; K168-V170 VanDerWaalsContact C-N 3.3Å; K168-V170 PolarHBondContact O-N 2.84Å
169T49.4Very low61.2Low109 Ų109110 Ų11067%0.66962%0.62SS**  trans-64.210015955.20000106.7D167 T171D167-T169 PolarHBondContact O-N 2.91Å; T169-T171 PolarHBondContact O-N 2.82Å
170V39.9Very low59.4Low131 Ų131117.9 Ų117.979%0.79466%0.661SS**  trans-68.390.3165.9-179.50000105.9K168 S172K168-V170 VanDerWaalsContact C-N 3.3Å; K168-V170 PolarHBondContact O-N 2.84Å; V170-S172 PolarHBondContact O-N 3.44Å
171T46.6Very low57.3Low118 Ų118115.7 Ų115.772%0.72467%0.666SS**  trans-70.187.9168.649.30000107.5T169 V173T169-T171 PolarHBondContact O-N 2.82Å; T171-V173 PolarHBondContact O-N 2.81Å
172S46.8Very low55.4Low100 Ų100121.7 Ų121.770%0.69970%0.702SS**  trans-63.9115.9159.1176.20000107.3V170 L174V170-S172 PolarHBondContact O-N 3.44Å; S172-L174 VanDerWaalsContact C-N 3.32Å; S172-L174 PolarHBondContact O-N 3.22Å
173V48.1Very low53.2Low146 Ų146125 Ų12589%0.88572%0.719SS**  trans-69.188.9176.1-124.80000108.3T171T171-V173 PolarHBondContact O-N 2.81Å
174L49.7Very low50.9Low147 Ų147128.4 Ų128.477%0.7775%0.745SS**  trans-124.592160.1-170.565000108.5S172 V176S172-L174 VanDerWaalsContact C-N 3.32Å; S172-L174 PolarHBondContact O-N 3.22Å; L174-V176 HydrophobicContact CG-CG2 4.4Å; L174-V176 PolarHBondContact O-N 3.39Å
175S37.8Very low48.8Very low122 Ų122130.2 Ų130.285%0.85375%0.745SS**  trans-80.7100.8-179.5-156.70000109.4
176V48.9Very low47.5Very low112 Ų112127.9 Ų127.968%0.67975%0.749SS**  trans-115.8113165.6-1770000106.9L174 L178L174-V176 HydrophobicContact CG-CG2 4.4Å; L174-V176 PolarHBondContact O-N 3.39Å; V176-L178 PolarHBondContact O-N 3.24Å; V176-L178 VanDerWaalsContact O-N 3.13Å
177G46.7Very low47Very low80 Ų80130.7 Ų130.783%0.82576%0.755SS**  trans-63.6109.4-174.500000112
178L56Low47.1Very low146 Ų146126.8 Ų126.876%0.76474%0.742SS**  trans-109.6145.3162-77149.5000107.6V176 L180V176-L178 PolarHBondContact O-N 3.24Å; V176-L178 VanDerWaalsContact O-N 3.13Å; L178-L180 PolarHBondContact O-N 2.99Å
179P54.4Low47.9Very low113 Ų113122.1 Ų122.173%0.73473%0.73SS**  trans-58.2133.2-177.322.9-31.7000110.8T181P179-T181 PolarHBondContact O-N 3.12Å
180L51Low48.8Very low173 Ų173119.5 Ų119.591%0.90671%0.711SS**  trans-63.3103.1178-121.979.1000109.4L178L178-L180 PolarHBondContact O-N 2.99Å
181T46.9Very low50.8Low114 Ų114113.4 Ų113.470%0.69967%0.674SS**  trans-80.2118.6158.148.70000107.4P179 E183P179-T181 PolarHBondContact O-N 3.12Å; T181-E183 VanDerWaalsContact C-N 3.31Å; T181-E183 PolarHBondContact O-N 2.79Å
182T50.3Low52.6Low127 Ų127113 Ų11378%0.77967%0.671SS**  trans-61.594.2165.636.20000109V184T182-V184 VanDerWaalsContact C-N 3.32Å; T182-V184 PolarHBondContact O-N 2.98Å
183E43.2Very low54.6Low144 Ų144109.3 Ų109.367%0.67365%0.645SS**  trans-64.995.1159.8-75.4-104.5146.500107.2T181 R185T181-E183 VanDerWaalsContact C-N 3.31Å; T181-E183 PolarHBondContact O-N 2.79Å; E183-R185 PolarHBondContact O-N 2.81Å; E183-R185 IonicContact OE2-NH1 3.97Å; E183-R185 PolarHBondContact OE2-NH1 2.86Å
184V37.3Very low56.7Low129 Ų129107.1 Ų107.178%0.78263%0.625SS**  trans-73.275.7161.8-177.30000106.5T182 A186T182-V184 VanDerWaalsContact C-N 3.32Å; T182-V184 PolarHBondContact O-N 2.98Å; V184-A186 PolarHBondContact O-N 2.78Å
185R36.2Very low58.8Low176 Ų176100.8 Ų100.866%0.66459%0.591SS**  trans-80.576.6172.9-153.3-178.6-169.2108.5-5.8107.7E183 Q187E183-R185 PolarHBondContact O-N 2.81Å; E183-R185 IonicContact OE2-NH1 3.97Å; E183-R185 PolarHBondContact OE2-NH1 2.86Å; R185-Q187 HydrophobicContact CG-CG 4.18Å; R185-Q187 PolarHBondContact O-N 3.07Å
186A42.6Very low61.4Low88 Ų8896 Ų9673%0.72756%0.556SS**  trans-7185.9168.100000108V184 A188V184-A186 PolarHBondContact O-N 2.78Å; A186-A188 PolarHBondContact O-N 3.36Å; A186-A188 VanDerWaalsContact O-N 3.08Å
187Q50.3Low63.5Low156 Ų15691 Ų9173%0.72953%0.526SS*.  trans-69.1101.5168.5-70.8166.6-30.900107R185R185-Q187 HydrophobicContact CG-CG 4.18Å; R185-Q187 PolarHBondContact O-N 3.07Å
188A56.3Low65.7Low58 Ų5889.9 Ų89.948%0.47950%0.497SS..PPolyproline II helixtrans-59.7128170.700000108.2A186 M190 F230A186-A188 PolarHBondContact O-N 3.36Å; A186-A188 VanDerWaalsContact O-N 3.08Å; A188-M190 PolarHBondContact O-N 3.31Å; A188-F230 HydrophobicContact CB-CZ 4.1Å
189P68.2Low67.4Low76 Ų7687.7 Ų87.749%0.49448%0.479SS..PPolyproline II helixtrans-61.6132.3-177.124.8-32.9000110F226P189-F226 HydrophobicContact CG-CE2 4.47Å
190M67.3Low69.2Low54 Ų5485 Ų8527%0.26647%0.471SS..PPolyproline II helixtrans-64137.1179.2-164.9177.6-164.500110.1N131 A188 M337 M339N131-M190 PolarHBondContact ND2-SD 2.89Å; N131-M190 VanDerWaalsContact ND2-SD 3.38Å; A188-M190 PolarHBondContact O-N 3.31Å; M190-M337 HydrophobicContact CE-CB 3.98Å; M190-M337 HydrophobicContact CE-CG 4.41Å; M190-M339 HydrophobicContact CE-CE 3.94Å; M190-M339 HydrophobicContact CE-CG 3.46Å; M190-M339 VanDerWaalsContact CE-CG 3.46Å; M190-M339 HydrophobicContact CE-SD 3.77Å; M190-M339 HydrophobicContact CG-CE 4.39Å; M190-M339 HydrophobicContact CG-SD 4.11Å; M190-M339 HydrophobicContact SD-CG 4.01Å; M190-M339 HydrophobicContact SD-SD 3.84Å
191P81.1Confident71.2Confident3 Ų378.9 Ų78.92%0.01944%0.443CS..PPolyproline II helixtrans-61.6142.3179.922.9-33.2000112C222 N223 T224 M271 V296 M339P191-C222 HydrophobicContact CB-CB 4.21Å; P191-N223 WeakPolarHBondContact CA-O 3.34Å; P191-T224 HydrophobicContact CB-CG2 4.01Å; P191-M271 HydrophobicContact CB-CE 3.7Å; P191-M271 HydrophobicContact CG-CE 3.73Å; P191-V296 HydrophobicContact CG-CG1 4.04Å; P191-V296 HydrophobicContact CG-CG2 3.86Å; P191-M339 HydrophobicContact CG-CE 4.22Å; P191-M339 WeakPolarHBondContact O-CE 3.46Å; P191-M339 VanDerWaalsContact O-SD 3.36Å
192T85Confident73.3Confident110 Ų11074.2 Ų74.268%0.67541%0.414SS*.EExtended strand (participates in β ladder)trans-93.5117.7174.9-57.70000110C222 N223T192-C222 CarbonylContact O-C 3.47Å; T192-C222 WeakPolarHBondContact O-CA 3.33Å; T192-N223 PolarHBondContact N-O 2.83Å; T192-N223 PolarHBondContact O-N 2.89Å
193C90Very high75.3Confident21 Ų2174.2 Ų74.214%0.14241%0.405CS..EExtended strand (participates in β ladder)trans-105.9142.8-174.1-58.90000113.2K221 C222 I294 M339 I341C193-K221 CarbonylContact C-O 3.6Å; C193-K221 VanDerWaalsContact CA-O 3.31Å; C193-K221 WeakPolarHBondContact CA-O 3.18Å; C193-C222 HydrophobicContact CB-CB 4.06Å; C193-C222 WeakPolarHBondContact CB-SG 3.34Å; C193-C222 WeakPolarHBondContact SG-CB 2.95Å; C193-C222 CovalentContact SG-SG 2.03Å; C193-C222 PolarHBondContact SG-SG 3.14Å; C193-I294 HydrophobicContact CB-CD1 4.05Å; C193-M339 HydrophobicContact CB-CE 4.42Å; C193-M339 WeakPolarHBondContact SG-CE 3.5Å; C193-I341 HydrophobicContact CB-CD1 3.21Å; C193-I341 HydrophobicContact CB-CG1 4.46Å
194E91.8Very high77.6Confident100 Ų10067.8 Ų67.847%0.46738%0.378SS..EExtended strand (participates in β ladder)trans-121.7143.8174.361.8176.1-17800110.6W220 K221E194-W220 WeakPolarHBondContact O-CA 3.23Å; E194-K221 HydrophobicContact CG-CB 4Å; E194-K221 WeakPolarHBondContact CG-O 3.32Å; E194-K221 PolarHBondContact N-O 2.85Å; E194-K221 PolarHBondContact O-N 3.5Å
195Y93Very high80.3Confident15 Ų1565.9 Ų65.96%0.05937%0.368CS..EExtended strand (participates in β ladder)trans-121127.3174.5174.2-151000107.9H218 S219 W220 F290 I343Y195-H218 HydrophobicContact CE2-CB 3.97Å; Y195-H218 AromaticContact CE2-ND1 3.74Å; Y195-H218 AromaticContact CZ-ND1 3.65Å; Y195-H218 PolarHBondContact OH-CE1 2.77Å; Y195-H218 PolarHBondContact OH-ND1 3.12Å; Y195-S219 CarbonylContact C-O 3.47Å; Y195-S219 WeakPolarHBondContact CA-O 3.45Å; Y195-W220 AromaticContact CD1-NE1 3.72Å; Y195-W220 AromaticContact CD2-CD1 3.57Å; Y195-W220 AromaticContact CD2-CD2 3.99Å; Y195-W220 HydrophobicContact CD2-CD2 3.99Å; Y195-W220 AromaticContact CD2-CE2 3.45Å; Y195-W220 VanDerWaalsContact CD2-CE2 3.45Å; Y195-W220 HydrophobicContact CD2-CG 4.05Å; Y195-W220 AromaticContact CD2-CZ2 3.97Å; Y195-W220 HydrophobicContact CD2-CZ2 3.97Å; Y195-W220 AromaticContact CD2-NE1 3.17Å; Y195-W220 HydrophobicContact CE2-CD2 4.33Å; Y195-W220 AromaticContact CE2-CE2 3.54Å; Y195-W220 HydrophobicContact CE2-CH2 4.34Å; Y195-W220 AromaticContact CE2-CZ2 3.54Å; Y195-W220 HydrophobicContact CE2-CZ2 3.54Å; Y195-W220 AromaticContact CE2-NE1 3.65Å; Y195-W220 AromaticContact CG-CD1 3.58Å; Y195-W220 HydrophobicContact CG-CG 4.45Å; Y195-W220 AromaticContact CG-NE1 3.27Å; Y195-W220 VanDerWaalsContact CG-NE1 3.27Å; Y195-W220 AromaticContact CZ-CZ2 3.91Å; Y195-F290 HydrophobicContact CE1-CB 3.75Å; Y195-F290 VanDerWaalsContact OH-CB 3.3Å; Y195-F290 WeakPolarHBondContact OH-CB 3.42Å; Y195-I343 HydrophobicContact CD1-CB 4.23Å; Y195-I343 HydrophobicContact CD1-CD1 3.37Å; Y195-I343 HydrophobicContact CD1-CG1 3.32Å; Y195-I343 HydrophobicContact CD2-CD1 3.44Å; Y195-I343 VanDerWaalsContact CD2-CD1 3.44Å; Y195-I343 HydrophobicContact CD2-CG1 4.19Å; Y195-I343 HydrophobicContact CE1-CB 4.23Å; Y195-I343 HydrophobicContact CE1-CD1 3.32Å; Y195-I343 HydrophobicContact CE1-CG1 3.62Å; Y195-I343 HydrophobicContact CE2-CD1 3.38Å; Y195-I343 HydrophobicContact CE2-CG1 4.42Å; Y195-I343 HydrophobicContact CG-CD1 3.38Å; Y195-I343 HydrophobicContact CG-CG1 3.58Å; Y195-I343 WeakPolarHBondContact O-CD1 3.46Å; Y195-I343 WeakPolarHBondContact O-CG1 3.38Å
196T93.1Very high82.9Confident20 Ų2062.7 Ų62.712%0.12336%0.364CS..EExtended strand (participates in β ladder)trans-137.1153.1-177.263.90000112.4R198 L206 S219T196-R198 PolarHBondContact OG1-NE 3.34Å; T196-L206 HydrophobicContact CG2-CD2 3.82Å; T196-S219 PolarHBondContact N-O 3.09Å; T196-S219 PolarHBondContact O-N 3.33Å
197I92.4Very high85Confident8 Ų859.1 Ų59.14%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-111125.3171.6-60.3170.2000108.3L206 V207 V216 Y217 F290 I343 F346I197-L206 WeakPolarHBondContact O-CA 3.49Å; I197-V207 HydrophobicContact CG2-CB 4.26Å; I197-V207 PolarHBondContact O-N 2.99Å; I197-V216 HydrophobicContact CG2-CB 3.81Å; I197-V216 HydrophobicContact CG2-CG1 4.29Å; I197-V216 HydrophobicContact CG2-CG2 3.93Å; I197-Y217 CarbonylContact C-O 3.54Å; I197-Y217 WeakPolarHBondContact CA-O 3.46Å; I197-F290 HydrophobicContact CD1-CD2 3.9Å; I197-F290 HydrophobicContact CD1-CE2 4.13Å; I197-I343 HydrophobicContact CD1-CD1 4.15Å; I197-I343 HydrophobicContact CD1-CG2 4.41Å; I197-I343 HydrophobicContact CG1-CD1 3.73Å; I197-F346 HydrophobicContact CD1-CB 4.26Å; I197-F346 HydrophobicContact CD1-CD2 4.1Å; I197-F346 HydrophobicContact CD1-CG 4.15Å; I197-F346 HydrophobicContact CG2-CD2 4.46Å; I197-F346 HydrophobicContact CG2-CE2 4.06Å
198R93.2Very high86.5Confident56 Ų5659.1 Ų59.121%0.21133%0.327CS..EExtended strand (participates in β ladder)trans-129.7154.8-169.8-69.3174.7170.9-113.611.8112.3T196 S201 P202 E203 G204 P205 L206 V207 Y217T196-R198 PolarHBondContact OG1-NE 3.34Å; R198-S201 WeakPolarHBondContact CB-O 3.06Å; R198-P202 WeakPolarHBondContact CD-O 3.01Å; R198-E203 PolarHBondContact NH1-O 3.25Å; R198-G204 VanDerWaalsContact CD-O 3.28Å; R198-G204 WeakPolarHBondContact CD-O 3.46Å; R198-G204 VanDerWaalsContact CG-O 3.28Å; R198-G204 WeakPolarHBondContact CG-O 3.46Å; R198-G204 PolarHBondContact NH1-O 2.03Å; R198-P205 VanDerWaalsContact CA-O 3.32Å; R198-P205 WeakPolarHBondContact CA-O 3.22Å; R198-L206 HydrophobicContact CG-CD2 4.1Å; R198-V207 VanDerWaalsContact C-CG2 3.49Å; R198-Y217 PolarHBondContact N-O 2.85Å; R198-Y217 PolarHBondContact O-N 2.01Å
199R92.6Very high87.9Confident101 Ų10161.3 Ų61.338%0.38133%0.325SS..EExtended strand (participates in β ladder)trans-104.5138.4180-179.5178.7-72.6128.1-0.8110.9S201 P205 V207 F209 E214R199-S201 PolarHBondContact O-N 3.43Å; R199-P205 HydrophobicContact CB-CG 4.47Å; R199-P205 PolarHBondContact N-O 2.91Å; R199-P205 WeakPolarHBondContact O-CD 3.18Å; R199-V207 HydrophobicContact CB-CG2 3.62Å; R199-F209 PolarHBondContact NH2-O 3.28Å; R199-F209 VanDerWaalsContact NH2-O 3.1Å; R199-E214 IonicContact CZ-OE1 3.09Å; R199-E214 VanDerWaalsContact CZ-OE1 3.23Å; R199-E214 IonicContact NE-OE1 2.85Å; R199-E214 PolarHBondContact NE-OE1 3.42Å; R199-E214 IonicContact NH2-OE1 3.59Å; R199-E214 PolarHBondContact NH2-OE1 2.88Å; R199-E214 IonicContact NH2-OE2 2.66Å
200G91.2Very high88.7Confident56 Ų5657.7 Ų57.758%0.57730%0.302SS*.SBendtrans81.4-42.417200000114.9Y217G200-Y217 VanDerWaalsContact O-CE2 3.28Å; G200-Y217 WeakPolarHBondContact O-CE2 2.98Å
201S93.5Very high89.6Confident44 Ų4460.3 Ų60.331%0.30831%0.312SS..SBendtrans-151.7167175.171.80000112R198 R199 E203 G204R198-S201 WeakPolarHBondContact CB-O 3.06Å; R199-S201 PolarHBondContact O-N 3.43Å; S201-E203 PolarHBondContact O-N 2.79Å; S201-E203 PolarHBondContact OG-N 2.82Å; S201-G204 PolarHBondContact O-N 2.86Å; S201-G204 PolarHBondContact OG-N 2.63Å; S201-G204 VanDerWaalsContact OG-N 3.07Å
202P91.4Very high89.8Confident16 Ų1663.8 Ų63.810%0.10433%0.329CS..THydrogen-bonded Turntrans-58.7-21.8173.4-22.534000114.1R198 Y217 H274R198-P202 WeakPolarHBondContact CD-O 3.01Å; P202-Y217 HydrophobicContact CG-CD1 3.86Å; P202-Y217 HydrophobicContact CG-CE1 4.39Å; P202-H274 HydrophobicContact CB-CB 3.89Å; P202-H274 HydrophobicContact CG-CB 4.04Å
203E92.3Very high89.9Confident127 Ų12762.8 Ų62.859%0.59333%0.327SS*.THydrogen-bonded Turntrans-105.95.7176-57.670.6-153.900112.8R198 S201R198-E203 PolarHBondContact NH1-O 3.25Å; S201-E203 PolarHBondContact O-N 2.79Å; S201-E203 PolarHBondContact OG-N 2.82Å
204G91.5Very high89.9Confident10 Ų1064 Ų6410%0.10333%0.331CS..SBendtrans-71177.8-177.700000114.1R198 S201R198-G204 VanDerWaalsContact CD-O 3.28Å; R198-G204 WeakPolarHBondContact CD-O 3.46Å; R198-G204 VanDerWaalsContact CG-O 3.28Å; R198-G204 WeakPolarHBondContact CG-O 3.46Å; R198-G204 PolarHBondContact NH1-O 2.03Å; S201-G204 PolarHBondContact O-N 2.86Å; S201-G204 PolarHBondContact OG-N 2.63Å; S201-G204 VanDerWaalsContact OG-N 3.07Å
205P93.7Very high89.8Confident88 Ų8862.3 Ų62.357%0.57133%0.327SS*.  trans-63.7146.7-178.426.6-35.3000112.6R198 R199R198-P205 VanDerWaalsContact CA-O 3.32Å; R198-P205 WeakPolarHBondContact CA-O 3.22Å; R199-P205 HydrophobicContact CB-CG 4.47Å; R199-P205 PolarHBondContact N-O 2.91Å; R199-P205 WeakPolarHBondContact O-CD 3.18Å
206L90.9Very high89.8Confident109 Ų10961.7 Ų61.757%0.57133%0.325SS*.BIsolated β-bridgetrans-61.5141.1176.2-66.2174.8000111.6T196 I197 R198T196-L206 HydrophobicContact CG2-CD2 3.82Å; I197-L206 WeakPolarHBondContact O-CA 3.49Å; R198-L206 HydrophobicContact CG-CD2 4.1Å
207V85.8Confident89.9Confident14 Ų1463.2 Ų63.29%0.08533%0.329CS..  trans-107.4117.2-179.2-168.50000110.1I197 R198 R199 F209 A210 F346I197-V207 HydrophobicContact CG2-CB 4.26Å; I197-V207 PolarHBondContact O-N 2.99Å; R198-V207 VanDerWaalsContact C-CG2 3.49Å; R199-V207 HydrophobicContact CB-CG2 3.62Å; V207-F209 WeakPolarHBondContact CG1-O 3.29Å; V207-A210 HydrophobicContact CG1-CB 3.95Å; V207-F346 HydrophobicContact CB-CE2 4Å; V207-F346 HydrophobicContact CG1-CE2 3.6Å; V207-F346 HydrophobicContact CG1-CZ 4.37Å
208R82.7Confident90Very high156 Ų15663.1 Ų63.159%0.58933%0.328SS*.SBendtrans-92.7-32.8170.1-65.6-173.9179.1-81.9-1112.5E344 E347R208-E344 IonicContact NH1-OE2 3.14Å; R208-E344 PolarHBondContact NH1-OE2 3.16Å; R208-E344 VanDerWaalsContact NH1-OE2 3.14Å; R208-E347 PolarHBondContact O-N 3.45Å
209F85.5Confident90Very high103 Ų10361 Ų6145%0.45232%0.322SS..EExtended strand (participates in β ladder)trans-136.2135.5-178.9-49.4-89.7000109.7R199 V207 E347 M349R199-F209 PolarHBondContact NH2-O 3.28Å; R199-F209 VanDerWaalsContact NH2-O 3.1Å; V207-F209 WeakPolarHBondContact CG1-O 3.29Å; F209-E347 WeakPolarHBondContact CA-O 3.38Å; F209-E347 HydrophobicContact CD1-CB 3.77Å; F209-E347 HydrophobicContact CE1-CB 4.15Å; F209-E347 HydrophobicContact CE1-CG 4.47Å; F209-E347 VanDerWaalsContact CE1-OE2 3.28Å; F209-E347 WeakPolarHBondContact CE1-OE2 3.18Å; F209-M349 HydrophobicContact CB-CE 3.54Å; F209-M349 HydrophobicContact CB-SD 4.13Å
210A85Confident90.1Very high0 Ų056.3 Ų56.30%030%0.304CS..EExtended strand (participates in β ladder)trans-139.8157.5174.500000111.5V207 E214 V216 V279 F346 E347 A348 M349V207-A210 HydrophobicContact CG1-CB 3.95Å; A210-E214 WeakPolarHBondContact CA-OE2 3.38Å; A210-V216 HydrophobicContact CB-CG1 4.38Å; A210-V279 HydrophobicContact CB-CB 4.46Å; A210-V279 HydrophobicContact CB-CG1 4.26Å; A210-V279 HydrophobicContact CB-CG2 3.71Å; A210-F346 HydrophobicContact CB-CE1 4.31Å; A210-F346 HydrophobicContact CB-CE2 4.01Å; A210-F346 HydrophobicContact CB-CZ 3.4Å; A210-E347 PolarHBondContact N-O 2.87Å; A210-E347 VanDerWaalsContact N-O 3.14Å; A210-A348 WeakPolarHBondContact O-CA 3.33Å; A210-M349 PolarHBondContact O-N 2.96Å
211K86.4Confident90.3Very high110 Ų11058.6 Ų58.648%0.47830%0.298SS..EExtended strand (participates in β ladder)trans-83.3150.2173.3-65.9179.4179.8179.30110.2S213 E214 V279K211-S213 PolarHBondContact O-N 2.93Å; K211-E214 HydrophobicContact CB-CB 4.39Å; K211-E214 PolarHBondContact N-OE2 2.82Å; K211-E214 WeakPolarHBondContact O-CB 3.28Å; K211-E214 PolarHBondContact O-N 3.07Å; K211-V279 WeakPolarHBondContact O-CB 3.47Å; K211-V279 WeakPolarHBondContact O-CG1 3.46Å
212I86.1Confident90.2Very high75 Ų7556.9 Ų56.939%0.38529%0.286SS..THydrogen-bonded Turntrans-54.5140169.2-63.1175.3000109.4E214 K281 M349 T350I212-E214 PolarHBondContact O-N 2.92Å; I212-K281 HydrophobicContact CD1-CD 3.77Å; I212-K281 HydrophobicContact CD1-CG 4Å; I212-K281 HydrophobicContact CG1-CD 4.28Å; I212-K281 HydrophobicContact CG1-CG 4.39Å; I212-M349 PolarHBondContact N-O 3.07Å; I212-T350 HydrophobicContact CD1-CG2 3.42Å; I212-T350 VanDerWaalsContact CD1-CG2 3.42Å
213S85.1Confident90Very high90 Ų9062.1 Ų62.163%0.62931%0.313SS*.THydrogen-bonded Turntrans69.11.7-177-130.30000115.2K211 V279K211-S213 PolarHBondContact O-N 2.93Å; S213-V279 PolarHBondContact N-O 2.92Å
214E90Very high89.5Confident47 Ų4757.2 Ų57.222%0.2229%0.292CS..  trans-68137.7168.6-170.9178155.600109.4R199 A210 K211 I212 V279R199-E214 IonicContact CZ-OE1 3.09Å; R199-E214 VanDerWaalsContact CZ-OE1 3.23Å; R199-E214 IonicContact NE-OE1 2.85Å; R199-E214 PolarHBondContact NE-OE1 3.42Å; R199-E214 IonicContact NH2-OE1 3.59Å; R199-E214 PolarHBondContact NH2-OE1 2.88Å; R199-E214 IonicContact NH2-OE2 2.66Å; A210-E214 WeakPolarHBondContact CA-OE2 3.38Å; K211-E214 HydrophobicContact CB-CB 4.39Å; K211-E214 PolarHBondContact N-OE2 2.82Å; K211-E214 WeakPolarHBondContact O-CB 3.28Å; K211-E214 PolarHBondContact O-N 3.07Å; I212-E214 PolarHBondContact O-N 2.92Å; E214-V279 HydrophobicContact CB-CG2 4.42Å; E214-V279 VanDerWaalsContact O-CG2 3.3Å; E214-V279 WeakPolarHBondContact O-CG2 3.37Å; E214-V279 PolarHBondContact O-N 3.49Å
215T90.8Very high89Confident63 Ų6365 Ų6539%0.38733%0.325SS..EExtended strand (participates in β ladder)trans-84.1124.6177-55.50000110.3T276 A277 N278T215-T276 HydrophobicContact CG2-CG2 3.25Å; T215-A277 WeakPolarHBondContact CA-O 3.36Å; T215-N278 PolarHBondContact OG1-OD1 3Å
216V93.3Very high88.2Confident2 Ų264.7 Ų64.71%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-123.6159.1177-63.40000110.6I197 A210 A277 V279I197-V216 HydrophobicContact CG2-CB 3.81Å; I197-V216 HydrophobicContact CG2-CG1 4.29Å; I197-V216 HydrophobicContact CG2-CG2 3.93Å; A210-V216 HydrophobicContact CB-CG1 4.38Å; V216-A277 PolarHBondContact N-O 2.87Å; V216-A277 PolarHBondContact O-N 3.45Å; V216-V279 HydrophobicContact CB-CG2 4.3Å; V216-V279 HydrophobicContact CG1-CG2 3.58Å; V216-V279 HydrophobicContact CG2-CG2 3.73Å
217Y94.2Very high87.6Confident53 Ų5362.3 Ų62.321%0.20831%0.308CS..EExtended strand (participates in β ladder)trans-111.6115.5179.5-68-96.4000108.9I197 R198 G200 P202 T276I197-Y217 CarbonylContact C-O 3.54Å; I197-Y217 WeakPolarHBondContact CA-O 3.46Å; R198-Y217 PolarHBondContact N-O 2.85Å; R198-Y217 PolarHBondContact O-N 2.01Å; G200-Y217 VanDerWaalsContact O-CE2 3.28Å; G200-Y217 WeakPolarHBondContact O-CE2 2.98Å; P202-Y217 HydrophobicContact CG-CD1 3.86Å; P202-Y217 HydrophobicContact CG-CE1 4.39Å; Y217-T276 HydrophobicContact CE1-CG2 4.26Å; Y217-T276 VanDerWaalsContact CE1-OG1 3.25Å; Y217-T276 WeakPolarHBondContact CE1-OG1 3.49Å
218H94.1Very high87.3Confident5 Ų565.8 Ų65.82%0.02333%0.333CS..EExtended strand (participates in β ladder)trans-83.5123.1168.5-68.1-102.4000107.3Y195 W220 H274 V275 F290Y195-H218 HydrophobicContact CE2-CB 3.97Å; Y195-H218 AromaticContact CE2-ND1 3.74Å; Y195-H218 AromaticContact CZ-ND1 3.65Å; Y195-H218 PolarHBondContact OH-CE1 2.77Å; Y195-H218 PolarHBondContact OH-ND1 3.12Å; H218-W220 HydrophobicContact CB-CH2 3.67Å; H218-W220 HydrophobicContact CB-CZ2 4.25Å; H218-W220 HydrophobicContact CB-CZ3 4Å; H218-H274 CarbonylContact O-C 3.57Å; H218-H274 WeakPolarHBondContact O-CA 3.16Å; H218-V275 HydrophobicContact CB-CG1 3.7Å; H218-V275 PolarHBondContact N-O 3.33Å; H218-V275 PolarHBondContact O-N 3.17Å; H218-F290 AromaticContact CE1-CD1 3.99Å; H218-F290 AromaticContact CE1-CE1 3.83Å; H218-F290 AromaticContact CE1-CZ 3.96Å
219S94.6Very high87.1Confident11 Ų1161.7 Ų61.78%0.07732%0.322CS..EExtended strand (participates in β ladder)trans-128125.5-174.41760000110.1Y195 T196Y195-S219 CarbonylContact C-O 3.47Å; Y195-S219 WeakPolarHBondContact CA-O 3.45Å; T196-S219 PolarHBondContact N-O 3.09Å; T196-S219 PolarHBondContact O-N 3.33Å
220W95.2Very high87Confident3 Ų357.1 Ų57.11%0.01130%0.302CS..EExtended strand (participates in β ladder)trans-112.3129.6173.3-58.9-95.3000109.1E194 Y195 H218 M232 V234 V265 T272 A273 V275 I294E194-W220 WeakPolarHBondContact O-CA 3.23Å; Y195-W220 AromaticContact CD1-NE1 3.72Å; Y195-W220 AromaticContact CD2-CD1 3.57Å; Y195-W220 AromaticContact CD2-CD2 3.99Å; Y195-W220 HydrophobicContact CD2-CD2 3.99Å; Y195-W220 AromaticContact CD2-CE2 3.45Å; Y195-W220 VanDerWaalsContact CD2-CE2 3.45Å; Y195-W220 HydrophobicContact CD2-CG 4.05Å; Y195-W220 AromaticContact CD2-CZ2 3.97Å; Y195-W220 HydrophobicContact CD2-CZ2 3.97Å; Y195-W220 AromaticContact CD2-NE1 3.17Å; Y195-W220 HydrophobicContact CE2-CD2 4.33Å; Y195-W220 AromaticContact CE2-CE2 3.54Å; Y195-W220 HydrophobicContact CE2-CH2 4.34Å; Y195-W220 AromaticContact CE2-CZ2 3.54Å; Y195-W220 HydrophobicContact CE2-CZ2 3.54Å; Y195-W220 AromaticContact CE2-NE1 3.65Å; Y195-W220 AromaticContact CG-CD1 3.58Å; Y195-W220 HydrophobicContact CG-CG 4.45Å; Y195-W220 AromaticContact CG-NE1 3.27Å; Y195-W220 VanDerWaalsContact CG-NE1 3.27Å; Y195-W220 AromaticContact CZ-CZ2 3.91Å; H218-W220 HydrophobicContact CB-CH2 3.67Å; H218-W220 HydrophobicContact CB-CZ2 4.25Å; H218-W220 HydrophobicContact CB-CZ3 4Å; W220-M232 HydrophobicContact CB-CE 3.76Å; W220-V234 HydrophobicContact CB-CG2 4.16Å; W220-V234 HydrophobicContact CD2-CG1 4.07Å; W220-V234 HydrophobicContact CD2-CG2 3.96Å; W220-V234 HydrophobicContact CE3-CG2 4.24Å; W220-V234 HydrophobicContact CG-CG1 4.49Å; W220-V234 HydrophobicContact CG-CG2 3.92Å; W220-V234 HydrophobicContact CH2-CG1 4.45Å; W220-V234 HydrophobicContact CZ2-CG1 4.02Å; W220-V265 HydrophobicContact CZ3-CG1 4.28Å; W220-V265 HydrophobicContact CZ3-CG2 4.35Å; W220-T272 WeakPolarHBondContact O-CA 3.44Å; W220-A273 HydrophobicContact CE3-CB 4.44Å; W220-A273 PolarHBondContact N-O 2.93Å; W220-A273 PolarHBondContact O-N 3.49Å; W220-A273 VanDerWaalsContact O-O 3.1Å; W220-V275 HydrophobicContact CH2-CG1 3.6Å; W220-V275 HydrophobicContact CZ3-CB 4.32Å; W220-V275 HydrophobicContact CZ3-CG1 3.66Å; W220-I294 HydrophobicContact CB-CD1 4.19Å; W220-I294 HydrophobicContact CG-CD1 4.36Å
221K93.8Very high87.1Confident105 Ų10557.2 Ų57.246%0.45730%0.304SS..EExtended strand (participates in β ladder)trans-138.5132.6-179.5-175.3176.2-178176.20110.1C193 E194C193-K221 CarbonylContact C-O 3.6Å; C193-K221 VanDerWaalsContact CA-O 3.31Å; C193-K221 WeakPolarHBondContact CA-O 3.18Å; E194-K221 HydrophobicContact CG-CB 4Å; E194-K221 WeakPolarHBondContact CG-O 3.32Å; E194-K221 PolarHBondContact N-O 2.85Å; E194-K221 PolarHBondContact O-N 3.5Å
222C91.1Very high87.3Confident8 Ų852 Ų525%0.05428%0.281CS..EExtended strand (participates in β ladder)trans-117.3123.5179.4-64.80000110.5P191 T192 C193 M232 M271P191-C222 HydrophobicContact CB-CB 4.21Å; T192-C222 CarbonylContact O-C 3.47Å; T192-C222 WeakPolarHBondContact O-CA 3.33Å; C193-C222 HydrophobicContact CB-CB 4.06Å; C193-C222 WeakPolarHBondContact CB-SG 3.34Å; C193-C222 WeakPolarHBondContact SG-CB 2.95Å; C193-C222 CovalentContact SG-SG 2.03Å; C193-C222 PolarHBondContact SG-SG 3.14Å; C222-M232 HydrophobicContact CB-SD 4.49Å; C222-M271 HydrophobicContact CB-CB 4.17Å; C222-M271 HydrophobicContact CB-CE 3.16Å; C222-M271 PolarHBondContact N-O 2.88Å
223N87.9Confident87.7Confident125 Ų12549.1 Ų49.167%0.66827%0.266SS*.EExtended strand (participates in β ladder)trans-94.6127.5179.5-166.626.2000110.8P191 T192P191-N223 WeakPolarHBondContact CA-O 3.34Å; T192-N223 PolarHBondContact N-O 2.83Å; T192-N223 PolarHBondContact O-N 2.89Å
224T82.3Confident88.1Confident25 Ų2544.8 Ų44.815%0.15324%0.236CC..  trans-157.6150.9176.2175.70000110P191 F226 F230 M271P191-T224 HydrophobicContact CB-CG2 4.01Å; T224-F226 PolarHBondContact O-N 2.89Å; T224-F226 PolarHBondContact OG1-N 3.11Å; T224-F230 HydrophobicContact CG2-CD2 4.16Å; T224-M271 HydrophobicContact CG2-CE 4.49Å; T224-M271 HydrophobicContact CG2-CG 4.33Å
225E80.3Confident88.3Confident172 Ų17243.3 Ų43.380%0.80423%0.229SC*.THydrogen-bonded Turntrans-70.1-18.7174.3-61.3-176.7171.700112.1
226F76.6Confident88.4Confident82 Ų8241.1 Ų41.136%0.3622%0.216SC..THydrogen-bonded Turntrans-118.948.4-174.8-52.6-73.8000112.4P189 T224 S228 L229 F230P189-F226 HydrophobicContact CG-CE2 4.47Å; T224-F226 PolarHBondContact O-N 2.89Å; T224-F226 PolarHBondContact OG1-N 3.11Å; F226-S228 PolarHBondContact O-N 2.81Å; F226-S228 VanDerWaalsContact O-N 3.09Å; F226-L229 HydrophobicContact CB-CB 4.17Å; F226-L229 HydrophobicContact CB-CD1 3.87Å; F226-L229 HydrophobicContact CB-CG 4.12Å; F226-L229 HydrophobicContact CD1-CD1 4.14Å; F226-L229 HydrophobicContact CG-CD1 4.17Å; F226-L229 PolarHBondContact O-N 2.77Å; F226-F230 HydrophobicContact CB-CD2 4.28Å; F226-F230 HydrophobicContact CB-CE2 4.08Å; F226-F230 WeakPolarHBondContact O-CD2 3.08Å
227S78.8Confident88.5Confident60 Ų6041.2 Ų41.242%0.4222%0.217SC..THydrogen-bonded Turntrans-57.6-26.8-17656.90000114.1L229 F230 S270S227-L229 VanDerWaalsContact C-N 3.34Å; S227-F230 VanDerWaalsContact O-O 3.06Å; S227-S270 PolarHBondContact O-OG 2.89Å
228S79.8Confident88.4Confident87 Ų8741 Ų4161%0.60822%0.216SC*.THydrogen-bonded Turntrans-79.8-9.6176.462.70000114.8F226 Q299F226-S228 PolarHBondContact O-N 2.81Å; F226-S228 VanDerWaalsContact O-N 3.09Å; S228-Q299 PolarHBondContact O-OE1 2.95Å
229L78Confident88.2Confident70 Ų7040.9 Ų40.937%0.36622%0.215SC..THydrogen-bonded Turntrans-96.3-19.1176.6-64.3-176.5000112.2F226 S227 L298 Q299 P300F226-L229 HydrophobicContact CB-CB 4.17Å; F226-L229 HydrophobicContact CB-CD1 3.87Å; F226-L229 HydrophobicContact CB-CG 4.12Å; F226-L229 HydrophobicContact CD1-CD1 4.14Å; F226-L229 HydrophobicContact CG-CD1 4.17Å; F226-L229 PolarHBondContact O-N 2.77Å; S227-L229 VanDerWaalsContact C-N 3.34Å; L229-L298 CarbonylContact O-C 3.59Å; L229-L298 WeakPolarHBondContact O-CA 3.3Å; L229-Q299 PolarHBondContact O-N 2.88Å; L229-P300 HydrophobicContact CD2-CG 4.22Å
230F83.3Confident87.9Confident6 Ų641.3 Ų41.33%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-112.9145.5-174.8-65.9-67.7000110.9A188 T224 F226 S227 S270 M271 V296 C297 L298A188-F230 HydrophobicContact CB-CZ 4.1Å; T224-F230 HydrophobicContact CG2-CD2 4.16Å; F226-F230 HydrophobicContact CB-CD2 4.28Å; F226-F230 HydrophobicContact CB-CE2 4.08Å; F226-F230 WeakPolarHBondContact O-CD2 3.08Å; S227-F230 VanDerWaalsContact O-O 3.06Å; F230-S270 VanDerWaalsContact O-CB 3.25Å; F230-S270 WeakPolarHBondContact O-CB 3.32Å; F230-S270 PolarHBondContact O-OG 3.3Å; F230-M271 HydrophobicContact CB-CE 4.34Å; F230-M271 HydrophobicContact CB-SD 3.53Å; F230-M271 VanDerWaalsContact CB-SD 3.53Å; F230-V296 HydrophobicContact CB-CG1 3.96Å; F230-V296 HydrophobicContact CD1-CG1 3.53Å; F230-V296 HydrophobicContact CE1-CG1 4.32Å; F230-V296 HydrophobicContact CG-CG1 4.03Å; F230-C297 CarbonylContact C-O 3.56Å; F230-C297 VanDerWaalsContact CA-O 3.31Å; F230-C297 WeakPolarHBondContact CA-O 3.47Å; F230-L298 HydrophobicContact CD1-CD2 3.64Å; F230-L298 HydrophobicContact CD1-CG 4.4Å; F230-L298 HydrophobicContact CE1-CD2 3.36Å; F230-L298 HydrophobicContact CE1-CG 4.25Å; F230-L298 HydrophobicContact CZ-CD2 4.17Å
231G87.6Confident87.3Confident3 Ų341.5 Ų41.53%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-121.114616400000110S270 V296 C297G231-S270 CarbonylContact C-O 3.51Å; G231-S270 WeakPolarHBondContact CA-O 3.48Å; G231-V296 CarbonylContact O-C 3.42Å; G231-V296 WeakPolarHBondContact O-CA 3.05Å; G231-C297 PolarHBondContact N-O 2.9Å; G231-C297 PolarHBondContact O-N 3.4Å; G231-C297 PolarHBondContact O-SG 3.42Å; G231-C297 VanDerWaalsContact O-SG 3.35Å
232M91.1Very high86.5Confident0 Ų039 Ų390%022%0.222CC..EExtended strand (participates in β ladder)trans-109147.6175.871.4175.7-85.500112.4W220 C222 V234 Y267 S270 M271 A273 I294 S295 T308W220-M232 HydrophobicContact CB-CE 3.76Å; C222-M232 HydrophobicContact CB-SD 4.49Å; M232-V234 HydrophobicContact CE-CG2 3.39Å; M232-Y267 HydrophobicContact CG-CD1 4.44Å; M232-Y267 HydrophobicContact CG-CE1 4.29Å; M232-Y267 VanDerWaalsContact O-CE1 3.24Å; M232-Y267 WeakPolarHBondContact O-CE1 3.44Å; M232-S270 WeakPolarHBondContact CG-O 3.38Å; M232-S270 PolarHBondContact N-O 3.29Å; M232-M271 HydrophobicContact CB-CE 4.3Å; M232-M271 HydrophobicContact CB-SD 4.39Å; M232-A273 HydrophobicContact CE-CB 3.98Å; M232-I294 HydrophobicContact CB-CG2 4Å; M232-I294 HydrophobicContact CE-CD1 3.83Å; M232-I294 HydrophobicContact CE-CG2 4.22Å; M232-S295 WeakPolarHBondContact CA-O 3.19Å; M232-T308 VanDerWaalsContact O-CB 3.3Å; M232-T308 WeakPolarHBondContact O-CB 3.41Å; M232-T308 PolarHBondContact O-OG1 3.24Å
233L92.9Very high85.5Confident14 Ų1444.2 Ų44.27%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-127.2122.1168.6173.668.4000108.6H235 I294 S295 V307 P310L233-H235 HydrophobicContact CG-CB 4.47Å; L233-H235 PolarHBondContact O-CD2 3.17Å; L233-I294 WeakPolarHBondContact O-CA 3.44Å; L233-S295 PolarHBondContact N-O 3.18Å; L233-S295 PolarHBondContact O-N 2.93Å; L233-V307 HydrophobicContact CD2-CG1 3.97Å; L233-P310 HydrophobicContact CD1-CB 4.02Å; L233-P310 HydrophobicContact CD1-CG 3.85Å
234V94.5Very high84.7Confident0 Ų045.4 Ų45.40%025%0.252CS..EExtended strand (participates in β ladder)trans-86.8121.9170.4-176.50000108.4W220 M232 G254 Y267 A273 C292W220-V234 HydrophobicContact CB-CG2 4.16Å; W220-V234 HydrophobicContact CD2-CG1 4.07Å; W220-V234 HydrophobicContact CD2-CG2 3.96Å; W220-V234 HydrophobicContact CE3-CG2 4.24Å; W220-V234 HydrophobicContact CG-CG1 4.49Å; W220-V234 HydrophobicContact CG-CG2 3.92Å; W220-V234 HydrophobicContact CH2-CG1 4.45Å; W220-V234 HydrophobicContact CZ2-CG1 4.02Å; M232-V234 HydrophobicContact CE-CG2 3.39Å; V234-G254 WeakPolarHBondContact O-CA 3.49Å; V234-Y267 PolarHBondContact N-OH 3.03Å; V234-A273 HydrophobicContact CG2-CB 4.14Å; V234-C292 HydrophobicContact CG1-CB 4.34Å
235H93.9Very high84.4Confident16 Ų1652.8 Ų52.87%0.07428%0.277CS..EExtended strand (participates in β ladder)trans-148175.1179.664.891.5000111.7L233 C237 E252 A293 S295 E338L233-H235 HydrophobicContact CG-CB 4.47Å; L233-H235 PolarHBondContact O-CD2 3.17Å; H235-C237 VanDerWaalsContact C-N 3.33Å; H235-C237 PolarHBondContact O-N 2.99Å; H235-E252 WeakPolarHBondContact CB-O 3.49Å; H235-A293 PolarHBondContact N-O 3.35Å; H235-A293 PolarHBondContact O-N 3.14Å; H235-S295 PolarHBondContact CD2-OG 2.8Å; H235-S295 WeakPolarHBondContact NE2-CB 3.05Å; H235-S295 PolarHBondContact NE2-N 3.11Å; H235-S295 PolarHBondContact NE2-OG 2.87Å; H235-E338 IonicContact CE1-OE1 3.03Å; H235-E338 PolarHBondContact CE1-OE1 2.99Å; H235-E338 VanDerWaalsContact CE1-OE1 3.3Å
236S93.3Very high84.6Confident17 Ų1750.6 Ų50.612%0.11926%0.261CS..EExtended strand (participates in β ladder)trans51.349.4175-55.60000112.7Y238 I250 D251S236-Y238 WeakPolarHBondContact O-CD2 3.49Å; S236-Y238 WeakPolarHBondContact O-CE2 3.4Å; S236-I250 CarbonylContact C-O 3.59Å; S236-I250 WeakPolarHBondContact CA-O 3.28Å; S236-D251 PolarHBondContact N-O 3.15Å
237C94.3Very high85.2Confident3 Ų350 Ų502%0.0227%0.265CS..EExtended strand (participates in β ladder)trans-88.8139.4178.8-66.10000111.9H235 M248 V249 I250 Q291 C292H235-C237 VanDerWaalsContact C-N 3.33Å; H235-C237 PolarHBondContact O-N 2.99Å; C237-M248 CarbonylContact O-C 3.57Å; C237-M248 WeakPolarHBondContact O-CA 3.28Å; C237-V249 HydrophobicContact CB-CG2 3.86Å; C237-V249 WeakPolarHBondContact O-CG2 3.5Å; C237-V249 PolarHBondContact O-N 3.46Å; C237-I250 HydrophobicContact CB-CB 3.7Å; C237-I250 HydrophobicContact CB-CD1 4.12Å; C237-I250 HydrophobicContact CB-CG1 3.89Å; C237-I250 PolarHBondContact N-O 2.85Å; C237-I250 PolarHBondContact O-N 3.09Å; C237-Q291 CarbonylContact C-O 3.58Å; C237-Q291 VanDerWaalsContact CA-O 3.25Å; C237-Q291 WeakPolarHBondContact CA-O 3.43Å; C237-C292 HydrophobicContact CB-CB 4.12Å; C237-C292 WeakPolarHBondContact CB-SG 3.3Å; C237-C292 WeakPolarHBondContact SG-CB 3.16Å; C237-C292 CovalentContact SG-SG 2.04Å; C237-C292 PolarHBondContact SG-SG 2.87Å
238Y92Very high85.8Confident50 Ų5049.4 Ų49.420%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-134.5152.4-179.1-59.6-101.4000112.2S236 R246 V247 M248 F290 Q291S236-Y238 WeakPolarHBondContact O-CD2 3.49Å; S236-Y238 WeakPolarHBondContact O-CE2 3.4Å; Y238-R246 HydrophobicContact CD1-CG 3.6Å; Y238-R246 VanDerWaalsContact CD1-NE 3.3Å; Y238-R246 HydrophobicContact CE1-CG 4.48Å; Y238-R246 HydrophobicContact CG-CG 3.89Å; Y238-R246 VanDerWaalsContact CG-CZ 3.49Å; Y238-V247 CarbonylContact C-O 3.56Å; Y238-V247 VanDerWaalsContact CA-O 3.23Å; Y238-V247 WeakPolarHBondContact CA-O 3.34Å; Y238-M248 HydrophobicContact CD1-CB 3.74Å; Y238-M248 HydrophobicContact CD1-CG 4.26Å; Y238-M248 HydrophobicContact CE1-CB 3.68Å; Y238-M248 HydrophobicContact CE1-CE 3.74Å; Y238-M248 HydrophobicContact CE1-CG 4.05Å; Y238-M248 HydrophobicContact CE2-CE 4.19Å; Y238-M248 WeakPolarHBondContact OH-CE 3.13Å; Y238-F290 WeakPolarHBondContact O-CA 3.47Å; Y238-Q291 PolarHBondContact N-O 2.95Å; Y238-Q291 PolarHBondContact O-N 2.77Å
239V90.1Very high86.4Confident1 Ų145.7 Ų45.71%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-115.4128.8171.3-1680000108.6R246 V247 V249 F280 F282 L288 D289 F290V239-R246 WeakPolarHBondContact O-CA 3.46Å; V239-V247 PolarHBondContact N-O 2.66Å; V239-V247 PolarHBondContact O-N 3.2Å; V239-V249 HydrophobicContact CG2-CB 4.42Å; V239-V249 HydrophobicContact CG2-CG1 3.63Å; V239-V249 HydrophobicContact CG2-CG2 3.88Å; V239-F280 HydrophobicContact CG1-CE2 4.18Å; V239-F280 HydrophobicContact CG2-CE2 4.2Å; V239-F280 HydrophobicContact CG2-CZ 3.96Å; V239-F282 HydrophobicContact CG1-CE2 3.95Å; V239-F282 HydrophobicContact CG1-CZ 4.45Å; V239-L288 HydrophobicContact CG1-CB 4.19Å; V239-L288 HydrophobicContact CG1-CD1 4.09Å; V239-L288 HydrophobicContact CG1-CD2 4.05Å; V239-L288 HydrophobicContact CG1-CG 4.35Å; V239-D289 CarbonylContact C-O 3.58Å; V239-D289 WeakPolarHBondContact CA-O 3.3Å; V239-F290 HydrophobicContact CB-CD1 4.47Å; V239-F290 HydrophobicContact CB-CE1 4.36Å; V239-F290 HydrophobicContact CG1-CD1 4.37Å; V239-F290 HydrophobicContact CG1-CE1 4.05Å; V239-F290 HydrophobicContact CG1-CZ 4.22Å; V239-F290 HydrophobicContact CG2-CD1 3.59Å; V239-F290 HydrophobicContact CG2-CE1 3.42Å; V239-F290 VanDerWaalsContact CG2-CE1 3.42Å; V239-F290 HydrophobicContact CG2-CZ 4.34Å
240D88.6Confident87.1Confident21 Ų2142.4 Ų42.411%0.11221%0.212CC..EExtended strand (participates in β ladder)trans-123.8140.8-176-173.7-5.9000110.3G242 R245 D289D240-G242 VanDerWaalsContact C-N 3.34Å; D240-G242 PolarHBondContact OD1-N 3.26Å; D240-R245 WeakPolarHBondContact CA-O 2.93Å; D240-D289 HydrophobicContact CB-CB 4.3Å; D240-D289 PolarHBondContact N-O 2.79Å; D240-D289 PolarHBondContact O-N 3.23Å
241D84.1Confident87.5Confident6 Ų644.4 Ų44.43%0.03222%0.223CC..  trans-90.42.4175.681.5-20.3000113.7H243 R245 F282 K285D241-H243 VanDerWaalsContact C-N 3.32Å; D241-H243 PolarHBondContact O-ND1 3.1Å; D241-H243 WeakPolarHBondContact OD1-CA 3.49Å; D241-H243 PolarHBondContact OD1-N 3.34Å; D241-R245 PolarHBondContact N-O 2.99Å; D241-R245 PolarHBondContact OD1-N 3.19Å; D241-F282 HydrophobicContact CB-CD2 3.63Å; D241-F282 HydrophobicContact CB-CE2 3.98Å; D241-F282 HydrophobicContact CB-CG 4.21Å; D241-K285 HydrophobicContact CB-CD 4.26Å; D241-K285 HydrophobicContact CB-CG 4.01Å; D241-K285 WeakPolarHBondContact OD2-CE 3.28Å; D241-K285 IonicContact OD2-NZ 3.82Å
242G75.3Confident87.7Confident53 Ų5350.3 Ų50.355%0.54625%0.25SC..SBendtrans78.58.4-178.500000114.7D240D240-G242 VanDerWaalsContact C-N 3.34Å; D240-G242 PolarHBondContact OD1-N 3.26Å
243H71.5Confident87.7Confident117 Ų11757.5 Ų57.554%0.54228%0.281SS..SBendtrans-133.544.5178.9-59.276.4000111.1D241 R245D241-H243 VanDerWaalsContact C-N 3.32Å; D241-H243 PolarHBondContact O-ND1 3.1Å; D241-H243 WeakPolarHBondContact OD1-CA 3.49Å; D241-H243 PolarHBondContact OD1-N 3.34Å; H243-R245 PolarHBondContact O-N 2.85Å
244D70.1Confident87.6Confident151 Ų15156.9 Ų56.981%0.80728%0.278SS*.SBendtrans65.87.9177-63.9-28.8000116.5R246D244-R246 PolarHBondContact O-N 3.07Å
245R76.4Confident87.6Confident179 Ų17957.7 Ų57.768%0.67528%0.284SS*.  trans-89.594.9169.2-69.3-173.2176.8-175.50.7110.1D240 D241 H243D240-R245 WeakPolarHBondContact CA-O 2.93Å; D241-R245 PolarHBondContact N-O 2.99Å; D241-R245 PolarHBondContact OD1-N 3.19Å; H243-R245 PolarHBondContact O-N 2.85Å
246R84.8Confident87.5Confident126 Ų12657.7 Ų57.748%0.47529%0.285SS..EExtended strand (participates in β ladder)trans-107.4126.6179.5-168.7-177.3-176.1-167.82.3111Y238 V239 D244Y238-R246 HydrophobicContact CD1-CG 3.6Å; Y238-R246 VanDerWaalsContact CD1-NE 3.3Å; Y238-R246 HydrophobicContact CE1-CG 4.48Å; Y238-R246 HydrophobicContact CG-CG 3.89Å; Y238-R246 VanDerWaalsContact CG-CZ 3.49Å; V239-R246 WeakPolarHBondContact O-CA 3.46Å; D244-R246 PolarHBondContact O-N 3.07Å
247V89.2Confident87.4Confident70 Ų7061.4 Ų61.442%0.42430%0.303SS..EExtended strand (participates in β ladder)trans-119.9127.1177.8-179.30000109.5Y238 V239 F282Y238-V247 CarbonylContact C-O 3.56Å; Y238-V247 VanDerWaalsContact CA-O 3.23Å; Y238-V247 WeakPolarHBondContact CA-O 3.34Å; V239-V247 PolarHBondContact N-O 2.66Å; V239-V247 PolarHBondContact O-N 3.2Å; V247-F282 HydrophobicContact CB-CZ 4.48Å; V247-F282 HydrophobicContact CG2-CE1 3.83Å; V247-F282 HydrophobicContact CG2-CZ 3.99Å
248M90.4Very high87Confident48 Ų4863.7 Ų63.724%0.23632%0.315CS..EExtended strand (participates in β ladder)trans-73.9130.4174.5-169.4-174.7-85.700109.4C237 Y238 I250 D251 E252 I257C237-M248 CarbonylContact O-C 3.57Å; C237-M248 WeakPolarHBondContact O-CA 3.28Å; Y238-M248 HydrophobicContact CD1-CB 3.74Å; Y238-M248 HydrophobicContact CD1-CG 4.26Å; Y238-M248 HydrophobicContact CE1-CB 3.68Å; Y238-M248 HydrophobicContact CE1-CE 3.74Å; Y238-M248 HydrophobicContact CE1-CG 4.05Å; Y238-M248 HydrophobicContact CE2-CE 4.19Å; Y238-M248 WeakPolarHBondContact OH-CE 3.13Å; M248-I250 VanDerWaalsContact CG-O 3.22Å; M248-I250 WeakPolarHBondContact CG-O 3.28Å; M248-D251 HydrophobicContact SD-CB 4.29Å; M248-E252 HydrophobicContact CE-CG 4.42Å; M248-I257 HydrophobicContact CB-CD1 3.8Å; M248-I257 HydrophobicContact CG-CD1 3.52Å; M248-I257 HydrophobicContact SD-CD1 3.63Å
249V92.5Very high86.7Confident8 Ų866.2 Ų66.25%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-115-27.4-180-72.10000112.2C237 V239 I257 I262C237-V249 HydrophobicContact CB-CG2 3.86Å; C237-V249 WeakPolarHBondContact O-CG2 3.5Å; C237-V249 PolarHBondContact O-N 3.46Å; V239-V249 HydrophobicContact CG2-CB 4.42Å; V239-V249 HydrophobicContact CG2-CG1 3.63Å; V239-V249 HydrophobicContact CG2-CG2 3.88Å; V249-I257 PolarHBondContact O-N 3.48Å; V249-I262 HydrophobicContact CB-CD1 3.94Å; V249-I262 HydrophobicContact CG1-CD1 4.37Å; V249-I262 HydrophobicContact CG2-CD1 3.69Å
250I93.1Very high86.4Confident1 Ų173.2 Ų73.21%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-126.2128.9169.9-55.2-176.9000107.1S236 C237 M248 G254 C255 I262 V265S236-I250 CarbonylContact C-O 3.59Å; S236-I250 WeakPolarHBondContact CA-O 3.28Å; C237-I250 HydrophobicContact CB-CB 3.7Å; C237-I250 HydrophobicContact CB-CD1 4.12Å; C237-I250 HydrophobicContact CB-CG1 3.89Å; C237-I250 PolarHBondContact N-O 2.85Å; C237-I250 PolarHBondContact O-N 3.09Å; M248-I250 VanDerWaalsContact CG-O 3.22Å; M248-I250 WeakPolarHBondContact CG-O 3.28Å; I250-G254 VanDerWaalsContact CG2-C 3.41Å; I250-C255 WeakPolarHBondContact CA-O 3.45Å; I250-I262 HydrophobicContact CD1-CG2 4.41Å; I250-V265 HydrophobicContact CD1-CG2 3.59Å
251D91.6Very high86.3Confident48 Ų4875 Ų7526%0.25736%0.364SS..  trans-72.5175.4-177.972.713.8000113.1S236 M248 K253 G254 C255 I257S236-D251 PolarHBondContact N-O 3.15Å; M248-D251 HydrophobicContact SD-CB 4.29Å; D251-K253 PolarHBondContact O-N 3.35Å; D251-K253 VanDerWaalsContact O-N 3.13Å; D251-K253 WeakPolarHBondContact OD1-CA 2.88Å; D251-K253 WeakPolarHBondContact OD1-CB 3.32Å; D251-K253 PolarHBondContact OD1-N 2.9Å; D251-G254 PolarHBondContact O-N 3.21Å; D251-G254 PolarHBondContact OD1-N 3.14Å; D251-C255 PolarHBondContact N-O 2.95Å; D251-C255 PolarHBondContact OD1-N 2.83Å; D251-I257 HydrophobicContact CB-CD1 4.32Å; D251-I257 HydrophobicContact CB-CG1 4.17Å
252E92.1Very high86.5Confident127 Ų12775 Ų7559%0.59336%0.364SS*.THydrogen-bonded Turntrans-61.8-16.2178.4-62.6168.5-176.300113.5H235 M248H235-E252 WeakPolarHBondContact CB-O 3.49Å; M248-E252 HydrophobicContact CE-CG 4.42Å
253K90.4Very high87.2Confident152 Ų15273.3 Ų73.366%0.66135%0.347SS*.THydrogen-bonded Turntrans-95.1-3.5177.3-60.6-175.8179.6-176.60112.7D251 P310D251-K253 PolarHBondContact O-N 3.35Å; D251-K253 VanDerWaalsContact O-N 3.13Å; D251-K253 WeakPolarHBondContact OD1-CA 2.88Å; D251-K253 WeakPolarHBondContact OD1-CB 3.32Å; D251-K253 PolarHBondContact OD1-N 2.9Å; K253-P310 WeakPolarHBondContact O-CB 3Å
254G92Very high88.1Confident1 Ų170.2 Ų70.21%0.0133%0.334CS..SBendtrans85.417.1-176.700000114.6V234 I250 D251V234-G254 WeakPolarHBondContact O-CA 3.49Å; I250-G254 VanDerWaalsContact CG2-C 3.41Å; D251-G254 PolarHBondContact O-N 3.21Å; D251-G254 PolarHBondContact OD1-N 3.14Å
255C93.9Very high89.3Confident17 Ų1764 Ų6412%0.11530%0.301CS..  trans-100.6138.8178-64.90000112I250 D251 I257 C312I250-C255 WeakPolarHBondContact CA-O 3.45Å; D251-C255 PolarHBondContact N-O 2.95Å; D251-C255 PolarHBondContact OD1-N 2.83Å; C255-I257 PolarHBondContact O-N 3.42Å; C255-C312 WeakPolarHBondContact CA-SG 2.9Å; C255-C312 HydrophobicContact CB-CB 3.86Å; C255-C312 WeakPolarHBondContact CB-SG 3.43Å; C255-C312 WeakPolarHBondContact SG-CA 3.25Å; C255-C312 WeakPolarHBondContact SG-CB 3.49Å; C255-C312 CovalentContact SG-SG 2.04Å; C255-C312 PolarHBondContact SG-SG 2.82Å
256S92.6Very high90.2Very high15 Ų1559.8 Ų59.811%0.10529%0.291CS..BIsolated β-bridgetrans-67.1129.5176.6177.30000111.1D258 R259 I262 G263S256-D258 VanDerWaalsContact OG-C 3.27Å; S256-D258 PolarHBondContact OG-N 3.06Å; S256-D258 PolarHBondContact OG-O 2.84Å; S256-R259 PolarHBondContact OG-N 2.83Å; S256-I262 WeakPolarHBondContact CB-O 3.46Å; S256-I262 PolarHBondContact OG-O 2.76Å; S256-G263 WeakPolarHBondContact CB-O 3.48Å
257I90Very high90.6Very high96 Ų9655.5 Ų55.549%0.49228%0.275SS..SBendtrans-74.2-42.7175.9-64.4179.3000110.1M248 V249 D251 C255M248-I257 HydrophobicContact CB-CD1 3.8Å; M248-I257 HydrophobicContact CG-CD1 3.52Å; M248-I257 HydrophobicContact SD-CD1 3.63Å; V249-I257 PolarHBondContact O-N 3.48Å; D251-I257 HydrophobicContact CB-CD1 4.32Å; D251-I257 HydrophobicContact CB-CG1 4.17Å; C255-I257 PolarHBondContact O-N 3.42Å
258D85.8Confident90.7Very high51 Ų5156.2 Ų56.227%0.27328%0.28SS..  trans-131.4100176.6-169.2-11.4000111S256 F260 L261 I262S256-D258 VanDerWaalsContact OG-C 3.27Å; S256-D258 PolarHBondContact OG-N 3.06Å; S256-D258 PolarHBondContact OG-O 2.84Å; D258-F260 PolarHBondContact O-N 3.25Å; D258-F260 VanDerWaalsContact O-N 3.08Å; D258-F260 WeakPolarHBondContact OD1-CB 3.08Å; D258-F260 WeakPolarHBondContact OD1-CD2 3.34Å; D258-F260 PolarHBondContact OD1-N 3.34Å; D258-L261 HydrophobicContact CB-CB 4.48Å; D258-L261 HydrophobicContact CB-CD1 4.2Å; D258-L261 HydrophobicContact CB-CG 4.22Å; D258-L261 PolarHBondContact O-N 2.76Å; D258-I262 PolarHBondContact O-N 2.84Å; D258-I262 VanDerWaalsContact O-N 3.14Å; D258-I262 VanDerWaalsContact O-O 3.14Å
259R87.2Confident90.7Very high103 Ų10357.8 Ų57.839%0.38929%0.289SS..THydrogen-bonded Turntrans-59.7-18178.7-61.8170.9-177.7-111.6-14.1113.5S256 I262 D264 D313S256-R259 PolarHBondContact OG-N 2.83Å; R259-I262 WeakPolarHBondContact CA-O 3.41Å; R259-D264 IonicContact CZ-OD1 2.72Å; R259-D264 IonicContact CZ-OD2 3.63Å; R259-D264 IonicContact NE-OD1 3.97Å; R259-D264 IonicContact NE-OD2 2.73Å; R259-D264 IonicContact NH1-OD1 3.94Å; R259-D264 IonicContact NH1-OD2 3.99Å; R259-D264 PolarHBondContact NH1-OD2 3.43Å; R259-D264 IonicContact NH2-OD1 3.51Å; R259-D264 IonicContact NH2-OD2 3.05Å; R259-D264 PolarHBondContact NH2-OD2 3.32Å; R259-D313 PolarHBondContact NH2-O 3.03Å
260F83.7Confident90.4Very high148 Ų14859.4 Ų59.465%0.64930%0.301SS*.THydrogen-bonded Turntrans-78.5-28.4175.5-68.7-78.8000112.6D258D258-F260 PolarHBondContact O-N 3.25Å; D258-F260 VanDerWaalsContact O-N 3.08Å; D258-F260 WeakPolarHBondContact OD1-CB 3.08Å; D258-F260 WeakPolarHBondContact OD1-CD2 3.34Å; D258-F260 PolarHBondContact OD1-N 3.34Å
261L85.5Confident90.3Very high58 Ų5859.5 Ų59.530%0.30430%0.302SS..THydrogen-bonded Turntrans-85.1-54.4176.9-63-179.8000110.5D258 F280D258-L261 HydrophobicContact CB-CB 4.48Å; D258-L261 HydrophobicContact CB-CD1 4.2Å; D258-L261 HydrophobicContact CB-CG 4.22Å; D258-L261 PolarHBondContact O-N 2.76Å; L261-F280 HydrophobicContact CB-CD1 4.16Å; L261-F280 HydrophobicContact CB-CE1 3.84Å; L261-F280 HydrophobicContact CB-CZ 4.27Å; L261-F280 HydrophobicContact CD2-CB 4.28Å; L261-F280 HydrophobicContact CD2-CD1 3.93Å; L261-F280 HydrophobicContact CD2-CD2 4.37Å; L261-F280 HydrophobicContact CD2-CE1 4.36Å; L261-F280 HydrophobicContact CD2-CG 3.95Å
262I88.6Confident90.4Very high5 Ų558.1 Ų58.13%0.02630%0.295CS..BIsolated β-bridgetrans-137.1128.5-179.7-62.1-177.1000107.7V249 I250 S256 D258 R259 V275 A277 F280 F290V249-I262 HydrophobicContact CB-CD1 3.94Å; V249-I262 HydrophobicContact CG1-CD1 4.37Å; V249-I262 HydrophobicContact CG2-CD1 3.69Å; I250-I262 HydrophobicContact CD1-CG2 4.41Å; S256-I262 WeakPolarHBondContact CB-O 3.46Å; S256-I262 PolarHBondContact OG-O 2.76Å; D258-I262 PolarHBondContact O-N 2.84Å; D258-I262 VanDerWaalsContact O-N 3.14Å; D258-I262 VanDerWaalsContact O-O 3.14Å; R259-I262 WeakPolarHBondContact CA-O 3.41Å; I262-V275 HydrophobicContact CG2-CG1 3.76Å; I262-V275 HydrophobicContact CG2-CG2 4.04Å; I262-A277 HydrophobicContact CB-CB 4.48Å; I262-A277 HydrophobicContact CG1-CB 4.05Å; I262-F280 HydrophobicContact CD1-CE1 4.44Å; I262-F280 HydrophobicContact CD1-CZ 4.47Å; I262-F280 HydrophobicContact CG1-CE1 4.03Å; I262-F280 HydrophobicContact CG1-CZ 4.47Å; I262-F290 HydrophobicContact CD1-CE1 4.19Å
263G89.3Confident90.6Very high19 Ų1952.1 Ų52.120%0.19627%0.267CS..  trans-65.7-176.4179.600000114.2S256 V275S256-G263 WeakPolarHBondContact CB-O 3.48Å; G263-V275 VanDerWaalsContact C-CG2 3.5Å; G263-V275 WeakPolarHBondContact O-CG2 3.45Å
264D91.9Very high90.8Very high52 Ų5246.3 Ų46.328%0.27824%0.242SC..  trans-73.4136168.6-64.9-30.2000109.2R259R259-D264 IonicContact CZ-OD1 2.72Å; R259-D264 IonicContact CZ-OD2 3.63Å; R259-D264 IonicContact NE-OD1 3.97Å; R259-D264 IonicContact NE-OD2 2.73Å; R259-D264 IonicContact NH1-OD1 3.94Å; R259-D264 IonicContact NH1-OD2 3.99Å; R259-D264 PolarHBondContact NH1-OD2 3.43Å; R259-D264 IonicContact NH2-OD1 3.51Å; R259-D264 IonicContact NH2-OD2 3.05Å; R259-D264 PolarHBondContact NH2-OD2 3.32Å
265V94.4Very high91Very high19 Ų1946.3 Ų46.312%0.11524%0.242CC..  trans-67.6132.9-178.2-179.10000111W220 I250 Y267 A273 V275W220-V265 HydrophobicContact CZ3-CG1 4.28Å; W220-V265 HydrophobicContact CZ3-CG2 4.35Å; I250-V265 HydrophobicContact CD1-CG2 3.59Å; V265-Y267 HydrophobicContact CB-CE2 4.12Å; V265-Y267 HydrophobicContact CG1-CD2 4.35Å; V265-Y267 HydrophobicContact CG1-CE2 3.81Å; V265-A273 HydrophobicContact CG1-CB 3.76Å; V265-V275 HydrophobicContact CG2-CB 4.38Å
266I94.4Very high90.9Very high91 Ų9148.3 Ų48.347%0.46725%0.254SS..EExtended strand (participates in β ladder)trans-105.4118.8-179.9-55.3174000108.8A273 H274I266-A273 CarbonylContact O-C 3.56Å; I266-A273 WeakPolarHBondContact O-CA 3.39Å; I266-H274 WeakPolarHBondContact CA-O 3.46Å; I266-H274 PolarHBondContact N-O 3.2Å; I266-H274 PolarHBondContact O-N 2.68Å
267Y93.1Very high90.9Very high36 Ų3647.8 Ų47.814%0.14125%0.251CS..EExtended strand (participates in β ladder)trans-90.1118.1177.2-64.7-98.3000108.7M232 V234 V265 A273 P309 P310M232-Y267 HydrophobicContact CG-CD1 4.44Å; M232-Y267 HydrophobicContact CG-CE1 4.29Å; M232-Y267 VanDerWaalsContact O-CE1 3.24Å; M232-Y267 WeakPolarHBondContact O-CE1 3.44Å; V234-Y267 PolarHBondContact N-OH 3.03Å; V265-Y267 HydrophobicContact CB-CE2 4.12Å; V265-Y267 HydrophobicContact CG1-CD2 4.35Å; V265-Y267 HydrophobicContact CG1-CE2 3.81Å; Y267-A273 HydrophobicContact CD1-CB 3.72Å; Y267-A273 HydrophobicContact CE1-CB 3.81Å; Y267-A273 HydrophobicContact CG-CB 4.24Å; Y267-P309 HydrophobicContact CD2-CB 3.92Å; Y267-P309 HydrophobicContact CD2-CG 4.35Å; Y267-P309 HydrophobicContact CE2-CB 4.39Å; Y267-P309 HydrophobicContact CG-CB 4.5Å; Y267-P309 HydrophobicContact CG-CG 4.48Å; Y267-P310 HydrophobicContact CE2-CG 4.35Å
268T92.1Very high90.9Very high85 Ų8546.8 Ų46.852%0.52125%0.246SC..EExtended strand (participates in β ladder)trans-83.8-39.7-179.4-53.70000111T272 H274T268-T272 PolarHBondContact N-O 3.05Å; T268-H274 PolarHBondContact OG1-CE1 3.49Å; T268-H274 PolarHBondContact OG1-ND1 2.81Å
269D89.4Confident91.1Very high81 Ų8144.8 Ų44.843%0.43324%0.236SC..EExtended strand (participates in β ladder)trans-144.8-172.9173.761.648.2000109M271 T272D269-M271 PolarHBondContact O-N 3.07Å; D269-M271 VanDerWaalsContact OD1-C 3.25Å; D269-M271 WeakPolarHBondContact OD1-CA 3.43Å; D269-M271 PolarHBondContact OD1-N 3Å; D269-T272 PolarHBondContact N-O 2.72Å; D269-T272 WeakPolarHBondContact OD1-CA 3.41Å; D269-T272 WeakPolarHBondContact OD1-CB 3.15Å; D269-T272 PolarHBondContact OD1-N 3.32Å; D269-T272 PolarHBondContact OD1-OG1 2.8Å; D269-T272 WeakPolarHBondContact OD2-CB 3.09Å; D269-T272 PolarHBondContact OD2-OG1 2.95Å
270S88.1Confident91.2Very high42 Ų4241.9 Ų41.929%0.29423%0.226SC..THydrogen-bonded Turntrans-66.6-18.3-177.858.40000114.3S227 F230 G231 M232S227-S270 PolarHBondContact O-OG 2.89Å; F230-S270 VanDerWaalsContact O-CB 3.25Å; F230-S270 WeakPolarHBondContact O-CB 3.32Å; F230-S270 PolarHBondContact O-OG 3.3Å; G231-S270 CarbonylContact C-O 3.51Å; G231-S270 WeakPolarHBondContact CA-O 3.48Å; M232-S270 WeakPolarHBondContact CG-O 3.38Å; M232-S270 PolarHBondContact N-O 3.29Å
271M90.6Very high91.3Very high3 Ų337.5 Ų37.52%0.01521%0.207CC..THydrogen-bonded Turntrans-131.513.3-174.2-60.4-54.5-57.500113.9P191 C222 T224 F230 M232 D269P191-M271 HydrophobicContact CB-CE 3.7Å; P191-M271 HydrophobicContact CG-CE 3.73Å; C222-M271 HydrophobicContact CB-CB 4.17Å; C222-M271 HydrophobicContact CB-CE 3.16Å; C222-M271 PolarHBondContact N-O 2.88Å; T224-M271 HydrophobicContact CG2-CE 4.49Å; T224-M271 HydrophobicContact CG2-CG 4.33Å; F230-M271 HydrophobicContact CB-CE 4.34Å; F230-M271 HydrophobicContact CB-SD 3.53Å; F230-M271 VanDerWaalsContact CB-SD 3.53Å; M232-M271 HydrophobicContact CB-CE 4.3Å; M232-M271 HydrophobicContact CB-SD 4.39Å; D269-M271 PolarHBondContact O-N 3.07Å; D269-M271 VanDerWaalsContact OD1-C 3.25Å; D269-M271 WeakPolarHBondContact OD1-CA 3.43Å; D269-M271 PolarHBondContact OD1-N 3Å
272T93.6Very high91.3Very high20 Ų2036.9 Ų36.912%0.12320%0.202CC..EExtended strand (participates in β ladder)trans-138.7123.3-179.9-50.80000110.4W220 T268 D269W220-T272 WeakPolarHBondContact O-CA 3.44Å; T268-T272 PolarHBondContact N-O 3.05Å; D269-T272 PolarHBondContact N-O 2.72Å; D269-T272 WeakPolarHBondContact OD1-CA 3.41Å; D269-T272 WeakPolarHBondContact OD1-CB 3.15Å; D269-T272 PolarHBondContact OD1-N 3.32Å; D269-T272 PolarHBondContact OD1-OG1 2.8Å; D269-T272 WeakPolarHBondContact OD2-CB 3.09Å; D269-T272 PolarHBondContact OD2-OG1 2.95Å
273A95.1Very high90.9Very high0 Ų040.6 Ų40.60%023%0.233CC..EExtended strand (participates in β ladder)trans-133.3149.1178.400000111.1W220 M232 V234 V265 I266 Y267W220-A273 HydrophobicContact CE3-CB 4.44Å; W220-A273 PolarHBondContact N-O 2.93Å; W220-A273 PolarHBondContact O-N 3.49Å; W220-A273 VanDerWaalsContact O-O 3.1Å; M232-A273 HydrophobicContact CE-CB 3.98Å; V234-A273 HydrophobicContact CG2-CB 4.14Å; V265-A273 HydrophobicContact CG1-CB 3.76Å; I266-A273 CarbonylContact O-C 3.56Å; I266-A273 WeakPolarHBondContact O-CA 3.39Å; Y267-A273 HydrophobicContact CD1-CB 3.72Å; Y267-A273 HydrophobicContact CE1-CB 3.81Å; Y267-A273 HydrophobicContact CG-CB 4.24Å
274H95.5Very high90.5Very high30 Ų3047.3 Ų47.314%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-145.8157.8175.764.1-94.9000112P202 H218 I266 T268P202-H274 HydrophobicContact CB-CB 3.89Å; P202-H274 HydrophobicContact CG-CB 4.04Å; H218-H274 CarbonylContact O-C 3.57Å; H218-H274 WeakPolarHBondContact O-CA 3.16Å; I266-H274 WeakPolarHBondContact CA-O 3.46Å; I266-H274 PolarHBondContact N-O 3.2Å; I266-H274 PolarHBondContact O-N 2.68Å; T268-H274 PolarHBondContact OG1-CE1 3.49Å; T268-H274 PolarHBondContact OG1-ND1 2.81Å
275V95.3Very high90.1Very high2 Ų247.5 Ų47.51%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-144.6141.7171.968.30000110.5H218 W220 I262 G263 V265H218-V275 HydrophobicContact CB-CG1 3.7Å; H218-V275 PolarHBondContact N-O 3.33Å; H218-V275 PolarHBondContact O-N 3.17Å; W220-V275 HydrophobicContact CH2-CG1 3.6Å; W220-V275 HydrophobicContact CZ3-CB 4.32Å; W220-V275 HydrophobicContact CZ3-CG1 3.66Å; I262-V275 HydrophobicContact CG2-CG1 3.76Å; I262-V275 HydrophobicContact CG2-CG2 4.04Å; G263-V275 VanDerWaalsContact C-CG2 3.5Å; G263-V275 WeakPolarHBondContact O-CG2 3.45Å; V265-V275 HydrophobicContact CG2-CB 4.38Å
276T92.9Very high89.2Confident59 Ų5950 Ų5036%0.36228%0.278SS..EExtended strand (participates in β ladder)trans-87.5130.5173.1-51.70000109.4T215 Y217T215-T276 HydrophobicContact CG2-CG2 3.25Å; Y217-T276 HydrophobicContact CE1-CG2 4.26Å; Y217-T276 VanDerWaalsContact CE1-OG1 3.25Å; Y217-T276 WeakPolarHBondContact CE1-OG1 3.49Å
277A92.7Very high88.5Confident4 Ų447 Ų473%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-138.3150.6178.500000111.2T215 V216 I262T215-A277 WeakPolarHBondContact CA-O 3.36Å; V216-A277 PolarHBondContact N-O 2.87Å; V216-A277 PolarHBondContact O-N 3.45Å; I262-A277 HydrophobicContact CB-CB 4.48Å; I262-A277 HydrophobicContact CG1-CB 4.05Å
278N89.4Confident88.1Confident75 Ų7545.3 Ų45.340%0.40126%0.259SS..EExtended strand (participates in β ladder)trans-90.5135.1170.6-69.2-28.8000109T215 F280T215-N278 PolarHBondContact OG1-OD1 3Å; N278-F280 VanDerWaalsContact O-CD1 3.3Å; N278-F280 WeakPolarHBondContact O-CD1 3.19Å; N278-F280 PolarHBondContact O-N 2.89Å
279V89.4Confident87.8Confident9 Ų942 Ų426%0.05524%0.238CC..  trans-64.5120-179.8171.70000110.1A210 K211 S213 E214 V216 F346 A348A210-V279 HydrophobicContact CB-CB 4.46Å; A210-V279 HydrophobicContact CB-CG1 4.26Å; A210-V279 HydrophobicContact CB-CG2 3.71Å; K211-V279 WeakPolarHBondContact O-CB 3.47Å; K211-V279 WeakPolarHBondContact O-CG1 3.46Å; S213-V279 PolarHBondContact N-O 2.92Å; E214-V279 HydrophobicContact CB-CG2 4.42Å; E214-V279 VanDerWaalsContact O-CG2 3.3Å; E214-V279 WeakPolarHBondContact O-CG2 3.37Å; E214-V279 PolarHBondContact O-N 3.49Å; V216-V279 HydrophobicContact CB-CG2 4.3Å; V216-V279 HydrophobicContact CG1-CG2 3.58Å; V216-V279 HydrophobicContact CG2-CG2 3.73Å; V279-F346 HydrophobicContact CG1-CE1 3.95Å; V279-F346 HydrophobicContact CG1-CZ 4.31Å; V279-F346 HydrophobicContact CG2-CE1 4.19Å; V279-F346 HydrophobicContact CG2-CZ 3.87Å; V279-A348 HydrophobicContact CG1-CB 3.83Å
280F89.3Confident87.8Confident41 Ų4138.6 Ų38.618%0.1822%0.219CC..  trans-118.3175.3172.859.2-91.2000110V239 L261 I262 N278 L288 F290V239-F280 HydrophobicContact CG1-CE2 4.18Å; V239-F280 HydrophobicContact CG2-CE2 4.2Å; V239-F280 HydrophobicContact CG2-CZ 3.96Å; L261-F280 HydrophobicContact CB-CD1 4.16Å; L261-F280 HydrophobicContact CB-CE1 3.84Å; L261-F280 HydrophobicContact CB-CZ 4.27Å; L261-F280 HydrophobicContact CD2-CB 4.28Å; L261-F280 HydrophobicContact CD2-CD1 3.93Å; L261-F280 HydrophobicContact CD2-CD2 4.37Å; L261-F280 HydrophobicContact CD2-CE1 4.36Å; L261-F280 HydrophobicContact CD2-CG 3.95Å; I262-F280 HydrophobicContact CD1-CE1 4.44Å; I262-F280 HydrophobicContact CD1-CZ 4.47Å; I262-F280 HydrophobicContact CG1-CE1 4.03Å; I262-F280 HydrophobicContact CG1-CZ 4.47Å; N278-F280 VanDerWaalsContact O-CD1 3.3Å; N278-F280 WeakPolarHBondContact O-CD1 3.19Å; N278-F280 PolarHBondContact O-N 2.89Å; F280-L288 HydrophobicContact CD2-CD1 4.37Å; F280-L288 HydrophobicContact CE2-CD1 4.41Å; F280-L288 WeakPolarHBondContact O-CD1 3.48Å; F280-F290 HydrophobicContact CZ-CE1 4.14Å; F280-F290 HydrophobicContact CZ-CZ 4.35Å
281K86.3Confident87.9Confident56 Ų5637.7 Ų37.724%0.24321%0.21CC..  trans-154159.7172.967.4174.6-150.6155.10111.7I212 K285 A348 T350I212-K281 HydrophobicContact CD1-CD 3.77Å; I212-K281 HydrophobicContact CD1-CG 4Å; I212-K281 HydrophobicContact CG1-CD 4.28Å; I212-K281 HydrophobicContact CG1-CG 4.39Å; K281-K285 WeakPolarHBondContact CD-O 3.32Å; K281-K285 WeakPolarHBondContact CE-O 3.43Å; K281-K285 PolarHBondContact NZ-O 2.8Å; K281-A348 HydrophobicContact CB-CB 4.01Å; K281-A348 HydrophobicContact CD-CB 4.42Å; K281-T350 HydrophobicContact CD-CG2 4.21Å
282F85.4Confident88Confident46 Ų4637.8 Ų37.820%0.20221%0.211CC..  trans-68.3150.1165.3-63.7-80.5000110.6V239 D241 V247 K285 L288V239-F282 HydrophobicContact CG1-CE2 3.95Å; V239-F282 HydrophobicContact CG1-CZ 4.45Å; D241-F282 HydrophobicContact CB-CD2 3.63Å; D241-F282 HydrophobicContact CB-CE2 3.98Å; D241-F282 HydrophobicContact CB-CG 4.21Å; V247-F282 HydrophobicContact CB-CZ 4.48Å; V247-F282 HydrophobicContact CG2-CE1 3.83Å; V247-F282 HydrophobicContact CG2-CZ 3.99Å; F282-K285 HydrophobicContact CB-CB 4.07Å; F282-K285 HydrophobicContact CB-CG 3.93Å; F282-K285 PolarHBondContact O-N 3.05Å; F282-L288 HydrophobicContact CD2-CD2 3.41Å; F282-L288 VanDerWaalsContact CD2-CD2 3.41Å; F282-L288 HydrophobicContact CE2-CD2 3.8Å; F282-L288 HydrophobicContact CG-CD2 4.5Å
283A80.7Confident87.9Confident83 Ų8336.9 Ų36.969%0.68621%0.206SC*.THydrogen-bonded Turntrans-56.8139.6170.200000110K285A283-K285 PolarHBondContact O-N 3.44Å
284D81.3Confident87.7Confident159 Ų15936.9 Ų36.985%0.8521%0.206SC*.THydrogen-bonded Turntrans60.812.4179.5-48.9-36.2000116.5
285K82.5Confident87.3Confident57 Ų5736 Ų3625%0.24820%0.202CC..  trans-116.4149.8176.3-55-69.8172.51660110.4D241 K281 F282 A283D241-K285 HydrophobicContact CB-CD 4.26Å; D241-K285 HydrophobicContact CB-CG 4.01Å; D241-K285 WeakPolarHBondContact OD2-CE 3.28Å; D241-K285 IonicContact OD2-NZ 3.82Å; K281-K285 WeakPolarHBondContact CD-O 3.32Å; K281-K285 WeakPolarHBondContact CE-O 3.43Å; K281-K285 PolarHBondContact NZ-O 2.8Å; F282-K285 HydrophobicContact CB-CB 4.07Å; F282-K285 HydrophobicContact CB-CG 3.93Å; F282-K285 PolarHBondContact O-N 3.05Å; A283-K285 PolarHBondContact O-N 3.44Å
286T76.5Confident86.7Confident71 Ų7136 Ų3644%0.43620%0.203SC..  trans-117-20.7179.154.30000112.6E347 A348T286-E347 CarbonylContact O-C 3.55Å; T286-E347 VanDerWaalsContact O-CA 3.28Å; T286-E347 WeakPolarHBondContact O-CA 3.33Å; T286-A348 PolarHBondContact O-N 3.32Å
287S79Confident86.3Confident27 Ų2733.8 Ų33.819%0.18919%0.189CC..EExtended strand (participates in β ladder)trans-114.8136.717862.40000111.4F346S287-F346 CarbonylContact C-O 3.58Å; S287-F346 WeakPolarHBondContact CA-O 3.38Å
288L84.6Confident85.6Confident2 Ų237.6 Ų37.61%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-114.6143.4169.7-61.1-176.9000110.1V239 F280 F282 F290 F346V239-L288 HydrophobicContact CG1-CB 4.19Å; V239-L288 HydrophobicContact CG1-CD1 4.09Å; V239-L288 HydrophobicContact CG1-CD2 4.05Å; V239-L288 HydrophobicContact CG1-CG 4.35Å; F280-L288 HydrophobicContact CD2-CD1 4.37Å; F280-L288 HydrophobicContact CE2-CD1 4.41Å; F280-L288 WeakPolarHBondContact O-CD1 3.48Å; F282-L288 HydrophobicContact CD2-CD2 3.41Å; F282-L288 VanDerWaalsContact CD2-CD2 3.41Å; F282-L288 HydrophobicContact CE2-CD2 3.8Å; F282-L288 HydrophobicContact CG-CD2 4.5Å; L288-F290 HydrophobicContact CB-CD2 4.38Å; L288-F290 HydrophobicContact CB-CE2 3.86Å; L288-F290 HydrophobicContact CB-CZ 4.45Å; L288-F290 HydrophobicContact CD1-CE2 4.03Å; L288-F290 HydrophobicContact CD1-CZ 3.91Å; L288-F346 PolarHBondContact N-O 2.91Å; L288-F346 PolarHBondContact O-N 3.31Å
289D85.5Confident85Confident16 Ų1638.8 Ų38.89%0.08621%0.212CC..EExtended strand (participates in β ladder)trans-111.5127.6168.3-173.816.9000108.9R125 V239 D240 Q291R125-D289 IonicContact CZ-OD2 3.03Å; R125-D289 IonicContact NH1-OD2 3.23Å; R125-D289 PolarHBondContact NH1-OD2 2.85Å; R125-D289 IonicContact NH2-OD2 3.58Å; V239-D289 CarbonylContact C-O 3.58Å; V239-D289 WeakPolarHBondContact CA-O 3.3Å; D240-D289 HydrophobicContact CB-CB 4.3Å; D240-D289 PolarHBondContact N-O 2.79Å; D240-D289 PolarHBondContact O-N 3.23Å; D289-Q291 PolarHBondContact OD2-NE2 3.2Å
290F90.2Very high84.2Confident9 Ų941.8 Ų41.84%0.03923%0.232CC..EExtended strand (participates in β ladder)trans-110.8128.8178.9-70-92.8000109.3Y195 I197 H218 Y238 V239 I262 F280 L288 I343 F346Y195-F290 HydrophobicContact CE1-CB 3.75Å; Y195-F290 VanDerWaalsContact OH-CB 3.3Å; Y195-F290 WeakPolarHBondContact OH-CB 3.42Å; I197-F290 HydrophobicContact CD1-CD2 3.9Å; I197-F290 HydrophobicContact CD1-CE2 4.13Å; H218-F290 AromaticContact CE1-CD1 3.99Å; H218-F290 AromaticContact CE1-CE1 3.83Å; H218-F290 AromaticContact CE1-CZ 3.96Å; Y238-F290 WeakPolarHBondContact O-CA 3.47Å; V239-F290 HydrophobicContact CB-CD1 4.47Å; V239-F290 HydrophobicContact CB-CE1 4.36Å; V239-F290 HydrophobicContact CG1-CD1 4.37Å; V239-F290 HydrophobicContact CG1-CE1 4.05Å; V239-F290 HydrophobicContact CG1-CZ 4.22Å; V239-F290 HydrophobicContact CG2-CD1 3.59Å; V239-F290 HydrophobicContact CG2-CE1 3.42Å; V239-F290 VanDerWaalsContact CG2-CE1 3.42Å; V239-F290 HydrophobicContact CG2-CZ 4.34Å; I262-F290 HydrophobicContact CD1-CE1 4.19Å; F280-F290 HydrophobicContact CZ-CE1 4.14Å; F280-F290 HydrophobicContact CZ-CZ 4.35Å; L288-F290 HydrophobicContact CB-CD2 4.38Å; L288-F290 HydrophobicContact CB-CE2 3.86Å; L288-F290 HydrophobicContact CB-CZ 4.45Å; L288-F290 HydrophobicContact CD1-CE2 4.03Å; L288-F290 HydrophobicContact CD1-CZ 3.91Å; F290-I343 PolarHBondContact O-N 3.08Å; F290-F346 HydrophobicContact CE2-CD1 4.33Å
291Q89.8Confident83.2Confident23 Ų2347.5 Ų47.511%0.10726%0.264CS..EExtended strand (participates in β ladder)trans-134130.7-177.5-59.6175.223.400109.3R125 C237 Y238 D289 N342R125-Q291 VanDerWaalsContact NH2-CD 3.35Å; C237-Q291 CarbonylContact C-O 3.58Å; C237-Q291 VanDerWaalsContact CA-O 3.25Å; C237-Q291 WeakPolarHBondContact CA-O 3.43Å; Y238-Q291 PolarHBondContact N-O 2.95Å; Y238-Q291 PolarHBondContact O-N 2.77Å; D289-Q291 PolarHBondContact OD2-NE2 3.2Å; Q291-N342 HydrophobicContact CG-CB 4.31Å; Q291-N342 WeakPolarHBondContact CG-OD1 3.34Å
292C93.5Very high82.6Confident5 Ų550.4 Ų50.43%0.03428%0.282CS..EExtended strand (participates in β ladder)trans-135.6150.5-179.6-69.30000110.4V234 C237 I341V234-C292 HydrophobicContact CG1-CB 4.34Å; C237-C292 HydrophobicContact CB-CB 4.12Å; C237-C292 WeakPolarHBondContact CB-SG 3.3Å; C237-C292 WeakPolarHBondContact SG-CB 3.16Å; C237-C292 CovalentContact SG-SG 2.04Å; C237-C292 PolarHBondContact SG-SG 2.87Å; C292-I341 PolarHBondContact N-O 2.92Å; C292-I341 VanDerWaalsContact N-O 3.08Å; C292-I341 PolarHBondContact O-N 2.85Å
293A91.9Very high82.1Confident1 Ų150.2 Ų50.21%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-96.3144.9167.800000110H235 E338 M339H235-A293 PolarHBondContact N-O 3.35Å; H235-A293 PolarHBondContact O-N 3.14Å; A293-E338 HydrophobicContact CB-CG 4.27Å; A293-E338 WeakPolarHBondContact CB-OE1 3.18Å; A293-M339 CarbonylContact C-O 3.49Å
294I90.5Very high82.2Confident0 Ų046.9 Ų46.90%027%0.265CS..EExtended strand (participates in β ladder)trans-120.6119.9170.5-56.6-168.4000108.2C193 W220 M232 L233 V296 M339 I341C193-I294 HydrophobicContact CB-CD1 4.05Å; W220-I294 HydrophobicContact CB-CD1 4.19Å; W220-I294 HydrophobicContact CG-CD1 4.36Å; M232-I294 HydrophobicContact CB-CG2 4Å; M232-I294 HydrophobicContact CE-CD1 3.83Å; M232-I294 HydrophobicContact CE-CG2 4.22Å; L233-I294 WeakPolarHBondContact O-CA 3.44Å; I294-V296 HydrophobicContact CG2-CG2 4.49Å; I294-M339 PolarHBondContact N-O 3.07Å; I294-M339 PolarHBondContact O-N 2.88Å; I294-I341 HydrophobicContact CB-CD1 4.49Å; I294-I341 HydrophobicContact CD1-CD1 3.32Å; I294-I341 HydrophobicContact CD1-CG1 4.47Å; I294-I341 HydrophobicContact CG1-CD1 3.8Å
295S86.5Confident82.3Confident10 Ų1046.3 Ų46.37%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-93.9142.3166.140.80000110.1M232 L233 H235M232-S295 WeakPolarHBondContact CA-O 3.19Å; L233-S295 PolarHBondContact N-O 3.18Å; L233-S295 PolarHBondContact O-N 2.93Å; H235-S295 PolarHBondContact CD2-OG 2.8Å; H235-S295 WeakPolarHBondContact NE2-CB 3.05Å; H235-S295 PolarHBondContact NE2-N 3.11Å; H235-S295 PolarHBondContact NE2-OG 2.87Å
296V84Confident82.1Confident3 Ų346.2 Ų46.22%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-114.2128.4178.1-177.60000108.5P191 F230 G231 I294 M337 M339P191-V296 HydrophobicContact CG-CG1 4.04Å; P191-V296 HydrophobicContact CG-CG2 3.86Å; F230-V296 HydrophobicContact CB-CG1 3.96Å; F230-V296 HydrophobicContact CD1-CG1 3.53Å; F230-V296 HydrophobicContact CE1-CG1 4.32Å; F230-V296 HydrophobicContact CG-CG1 4.03Å; G231-V296 CarbonylContact O-C 3.42Å; G231-V296 WeakPolarHBondContact O-CA 3.05Å; I294-V296 HydrophobicContact CG2-CG2 4.49Å; V296-M337 PolarHBondContact N-O 2.82Å; V296-M339 HydrophobicContact CG2-CE 3.67Å
297C83.2Confident82.4Confident12 Ų1245.1 Ų45.18%0.08127%0.265CS..EExtended strand (participates in β ladder)trans-110.2156.5174.4600000110.3F230 G231 C304F230-C297 CarbonylContact C-O 3.56Å; F230-C297 VanDerWaalsContact CA-O 3.31Å; F230-C297 WeakPolarHBondContact CA-O 3.47Å; G231-C297 PolarHBondContact N-O 2.9Å; G231-C297 PolarHBondContact O-N 3.4Å; G231-C297 PolarHBondContact O-SG 3.42Å; G231-C297 VanDerWaalsContact O-SG 3.35Å; C297-C304 VanDerWaalsContact C-SG 3.5Å; C297-C304 HydrophobicContact CB-CB 4.13Å; C297-C304 WeakPolarHBondContact CB-SG 3.31Å; C297-C304 VanDerWaalsContact SG-CA 3.51Å; C297-C304 WeakPolarHBondContact SG-CB 3.33Å; C297-C304 CovalentContact SG-SG 2.04Å; C297-C304 PolarHBondContact SG-SG 3Å
298L79.2Confident82.7Confident85 Ų8545 Ų4545%0.44526%0.264SS..EExtended strand (participates in β ladder)trans-95127.7172.9-75.3166000108.9L229 F230 P300 G303L229-L298 CarbonylContact O-C 3.59Å; L229-L298 WeakPolarHBondContact O-CA 3.3Å; F230-L298 HydrophobicContact CD1-CD2 3.64Å; F230-L298 HydrophobicContact CD1-CG 4.4Å; F230-L298 HydrophobicContact CE1-CD2 3.36Å; F230-L298 HydrophobicContact CE1-CG 4.25Å; F230-L298 HydrophobicContact CZ-CD2 4.17Å; L298-P300 VanDerWaalsContact C-CD 3.5Å; L298-G303 CarbonylContact O-C 3.58Å; L298-G303 VanDerWaalsContact O-CA 3.26Å; L298-G303 WeakPolarHBondContact O-CA 3.38Å
299Q76.1Confident82.9Confident100 Ų10049 Ų4947%0.46729%0.29SS..  trans-70.8-32.1-178.4-165.6163.27.700114.8S228 L229 N301 D302S228-Q299 PolarHBondContact O-OE1 2.95Å; L229-Q299 PolarHBondContact O-N 2.88Å; Q299-N301 PolarHBondContact O-N 2.93Å; Q299-D302 PolarHBondContact O-N 3.2Å
300P72.2Confident83.2Confident72 Ų7249.5 Ų49.547%0.46829%0.294SS..G310 helixtrans-55.8139.6174.8-26.134.7000112.6L229 L298L229-P300 HydrophobicContact CD2-CG 4.22Å; L298-P300 VanDerWaalsContact C-CD 3.5Å
301N68.8Low83.2Confident161 Ų16158.3 Ų58.386%0.86133%0.332SS*.G310 helixtrans6237.2-178.3-52-34.7000114.7Q299 G303Q299-N301 PolarHBondContact O-N 2.93Å; N301-G303 PolarHBondContact O-N 3.45Å; N301-G303 VanDerWaalsContact O-N 3.08Å
302D73.2Confident83.1Confident117 Ų11758.7 Ų58.763%0.62634%0.337SS*.G310 helixtrans58.423.5178-56.2-40.1000113.7Q299 C304 E305Q299-D302 PolarHBondContact O-N 3.2Å; D302-C304 PolarHBondContact O-N 3.18Å; D302-E305 HydrophobicContact CB-CB 3.98Å; D302-E305 WeakPolarHBondContact O-CB 3.37Å; D302-E305 PolarHBondContact O-N 2.89Å
303G74.6Confident82.6Confident42 Ų4263.5 Ų63.543%0.43336%0.362SS..THydrogen-bonded Turntrans-64.7-14-175.400000115L298 N301L298-G303 CarbonylContact O-C 3.58Å; L298-G303 VanDerWaalsContact O-CA 3.26Å; L298-G303 WeakPolarHBondContact O-CA 3.38Å; N301-G303 PolarHBondContact O-N 3.45Å; N301-G303 VanDerWaalsContact O-N 3.08Å
304C83.9Confident81.5Confident13 Ų1371.8 Ų71.89%0.08840%0.398CS..THydrogen-bonded Turntrans-101.8-9.6172.9-68.20000113.4C297 D302 G306 V307 T308C297-C304 VanDerWaalsContact C-SG 3.5Å; C297-C304 HydrophobicContact CB-CB 4.13Å; C297-C304 WeakPolarHBondContact CB-SG 3.31Å; C297-C304 VanDerWaalsContact SG-CA 3.51Å; C297-C304 WeakPolarHBondContact SG-CB 3.33Å; C297-C304 CovalentContact SG-SG 2.04Å; C297-C304 PolarHBondContact SG-SG 3Å; D302-C304 PolarHBondContact O-N 3.18Å; C304-G306 PolarHBondContact O-N 2.81Å; C304-V307 PolarHBondContact O-N 2.94Å; C304-V307 VanDerWaalsContact O-N 3.08Å; C304-T308 HydrophobicContact CB-CG2 4.04Å; C304-T308 PolarHBondContact O-N 2.87Å; C304-T308 VanDerWaalsContact O-N 3.15Å
305E82.4Confident80.1Confident146 Ų14682.1 Ų82.168%0.68244%0.437SS*.THydrogen-bonded Turntrans-66.5120.5-175.7-166.4-177175.500110.5D302 V307D302-E305 HydrophobicContact CB-CB 3.98Å; D302-E305 WeakPolarHBondContact O-CB 3.37Å; D302-E305 PolarHBondContact O-N 2.89Å; E305-V307 PolarHBondContact O-N 2.82Å
306G79Confident78.6Confident55 Ų5590.8 Ų90.857%0.56747%0.473SS*.THydrogen-bonded Turntrans81.5-6.2-176.800000115.1C304C304-G306 PolarHBondContact O-N 2.81Å
307V82.8Confident76.9Confident48 Ų48102 Ų10229%0.29152%0.516SS..THydrogen-bonded Turntrans-91.4-53.6170.8-178.70000109.7L233 C304 E305L233-V307 HydrophobicContact CD2-CG1 3.97Å; C304-V307 PolarHBondContact O-N 2.94Å; C304-V307 VanDerWaalsContact O-N 3.08Å; E305-V307 PolarHBondContact O-N 2.82Å
308T85.1Confident75.2Confident25 Ų25111.6 Ų111.615%0.15355%0.55CS.*SBendtrans-135.4135179.5-1760000111.5M232 C304M232-T308 VanDerWaalsContact O-CB 3.3Å; M232-T308 WeakPolarHBondContact O-CB 3.41Å; M232-T308 PolarHBondContact O-OG1 3.24Å; C304-T308 HydrophobicContact CB-CG2 4.04Å; C304-T308 PolarHBondContact O-N 2.87Å; C304-T308 VanDerWaalsContact O-N 3.15Å
309P88.7Confident73.8Confident87 Ų87116 Ų11657%0.56557%0.568SS**SBendcis-68.3151.3-8.5-20.634.5000112.8Y267Y267-P309 HydrophobicContact CD2-CB 3.92Å; Y267-P309 HydrophobicContact CD2-CG 4.35Å; Y267-P309 HydrophobicContact CE2-CB 4.39Å; Y267-P309 HydrophobicContact CG-CB 4.5Å; Y267-P309 HydrophobicContact CG-CG 4.48Å
310P91.5Very high72.5Confident26 Ų26118.6 Ų118.617%0.16958%0.584CS.*  trans-71.4140.9-178.130.1-34.7000112.2L233 K253 Y267 C312L233-P310 HydrophobicContact CD1-CB 4.02Å; L233-P310 HydrophobicContact CD1-CG 3.85Å; K253-P310 WeakPolarHBondContact O-CB 3Å; Y267-P310 HydrophobicContact CE2-CG 4.35Å; P310-C312 PolarHBondContact O-N 2.85Å
311K89.3Confident71.3Confident194 Ų194121.4 Ų121.484%0.84359%0.591SS**  trans-86.789.3177.4-67.5-179.4-177.3172.90110.8
312C89Confident70.4Confident31 Ų31121.2 Ų121.221%0.20959%0.588CS.*  trans-87.4128.8179.9-550000112.5C255 P310 K314C255-C312 WeakPolarHBondContact CA-SG 2.9Å; C255-C312 HydrophobicContact CB-CB 3.86Å; C255-C312 WeakPolarHBondContact CB-SG 3.43Å; C255-C312 WeakPolarHBondContact SG-CA 3.25Å; C255-C312 WeakPolarHBondContact SG-CB 3.49Å; C255-C312 CovalentContact SG-SG 2.04Å; C255-C312 PolarHBondContact SG-SG 2.82Å; P310-C312 PolarHBondContact O-N 2.85Å; C312-K314 PolarHBondContact O-N 2.9Å
313D82.4Confident69.1Low105 Ų105122.6 Ų122.656%0.56159%0.588SS**  trans-69125.3174.2-175.46.8000110.4R259 R315R259-D313 PolarHBondContact NH2-O 3.03Å; D313-R315 PolarHBondContact O-N 2.82Å; D313-R315 PolarHBondContact OD1-N 2.84Å; D313-R315 VanDerWaalsContact OD1-N 3.09Å
314K69.6Low67.4Low176 Ų176132.1 Ų132.177%0.76561%0.611SS**THydrogen-bonded Turntrans-77.3-2.4-178.6-63.3-176.7179.8-1790113.1C312C312-K314 PolarHBondContact O-N 2.9Å
315R61.4Low65.8Low217 Ų217137.4 Ų137.482%0.81964%0.638SS**THydrogen-bonded Turntrans-106.95.4-167.8-80.4-172.2173.9-173.40.4118.3D313 R317D313-R315 PolarHBondContact O-N 2.82Å; D313-R315 PolarHBondContact OD1-N 2.84Å; D313-R315 VanDerWaalsContact OD1-N 3.09Å; R315-R317 PolarHBondContact O-N 2.84Å
316K53.1Low63.4Low191 Ų191138.1 Ų138.183%0.8365%0.646SS**  trans-76.997.5178.9-75.2-171.7177.9179.70113.1
317R49.5Very low61.5Low240 Ų240141.4 Ų141.491%0.90665%0.647SS**  trans-73.4125.6168.2-90.9178.9168.6173.2-3.5111.4R315 Q319R315-R317 PolarHBondContact O-N 2.84Å; R317-Q319 PolarHBondContact O-N 2.88Å; R317-Q319 VanDerWaalsContact O-N 3.13Å
318R46.3Very low59Low213 Ų213146.1 Ų146.180%0.80468%0.676SS**SBendtrans14.375.1150-68.5-177.3176.1158.2-0.8118.5
319Q50.8Low56.7Low177 Ų177153.2 Ų153.283%0.82770%0.701SS**  trans-140.299.5147.9-107.2178.8-1400108.2R317 E321R317-Q319 PolarHBondContact O-N 2.88Å; R317-Q319 VanDerWaalsContact O-N 3.13Å; Q319-E321 PolarHBondContact O-N 3.18Å
320I48.7Very low53.9Low154 Ų154154.6 Ų154.679%0.7971%0.713SS**  trans-7387.8161.6-63.4165.7000105.1
321E46.2Very low51.5Low131 Ų131159.5 Ų159.561%0.61274%0.737SS**  trans-88.7116.7163.6-159.7176.9-147.800105.9Q319 K323Q319-E321 PolarHBondContact O-N 3.18Å; E321-K323 HydrophobicContact CG-CG 4.38Å; E321-K323 PolarHBondContact O-N 3.2Å; E321-K323 VanDerWaalsContact OE2-CE 3.29Å; E321-K323 WeakPolarHBondContact OE2-CE 3.36Å
322I51.4Low49.2Very low157 Ų157155.2 Ų155.281%0.80573%0.73SS**  trans-67.877.6170.2-57.4174000106.6R324I322-R324 PolarHBondContact O-N 3.4Å
323K46.1Very low46.6Very low146 Ų146159.2 Ų159.264%0.63576%0.755SS**  trans-76.5112.7173.2-98-174.4174.4-177.50108.2E321 L325E321-K323 HydrophobicContact CG-CG 4.38Å; E321-K323 PolarHBondContact O-N 3.2Å; E321-K323 VanDerWaalsContact OE2-CE 3.29Å; E321-K323 WeakPolarHBondContact OE2-CE 3.36Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-L325 HydrophobicContact CB-CD1 4.09Å; K323-L325 PolarHBondContact O-N 2.96Å
324R38.3Very low44.6Very low242 Ų242159.3 Ų159.391%0.91375%0.753SS**  trans-63.998.1157.8-68.9-175.9-178.9164.20.4106.8I322 N326I322-R324 PolarHBondContact O-N 3.4Å; R324-N326 PolarHBondContact O-N 2.03Å
325L51Low43Very low125 Ų125159.2 Ų159.265%0.65475%0.753SS**  trans-72.597.7174.5-96.894.8000109.4K323K323-L325 VanDerWaalsContact C-N 3.34Å; K323-L325 HydrophobicContact CB-CD1 4.09Å; K323-L325 PolarHBondContact O-N 2.96Å
326N30.9Very low42.1Very low160 Ų160155.9 Ų155.986%0.85675%0.751SS**  trans-9470.2150.4-83.5-2.7000107.5R324R324-N326 PolarHBondContact O-N 2.03Å
327E39.1Very low42.1Very low125 Ų125150.8 Ų150.858%0.58473%0.731SS**  trans-140.6114.2169.7-74.8-170.3161.800110.9Y329E327-Y329 HydrophobicContact CB-CD2 4.07Å; E327-Y329 HydrophobicContact CB-CE2 3.74Å; E327-Y329 PolarHBondContact O-N 2.92Å; E327-Y329 VanDerWaalsContact O-N 3.16Å; E327-Y329 WeakPolarHBondContact OE2-CE2 3.25Å; E327-Y329 PolarHBondContact OE2-OH 2.73Å
328T30.7Very low42.3Very low147 Ų147143.4 Ų143.490%0.90271%0.707SS**  trans-70.595.7172.4-46.50000109
329Y37.5Very low42.8Very low173 Ų173134.4 Ų134.468%0.67868%0.675SS**  trans-98.2107.2162.4-74-86.3000108.9E327 L331E327-Y329 HydrophobicContact CB-CD2 4.07Å; E327-Y329 HydrophobicContact CB-CE2 3.74Å; E327-Y329 PolarHBondContact O-N 2.92Å; E327-Y329 VanDerWaalsContact O-N 3.16Å; E327-Y329 WeakPolarHBondContact OE2-CE2 3.25Å; E327-Y329 PolarHBondContact OE2-OH 2.73Å; Y329-L331 PolarHBondContact O-N 3.45Å
330S29.6Very low42.9Very low116 Ų116130.5 Ų130.581%0.81166%0.66SS**  trans-69.694.5168.652.90000109.6
331L40Very low43.7Very low129 Ų129124.2 Ų124.268%0.67563%0.627SS**  trans-76.6145.6160.7-87.5138.2000109.2Y329Y329-L331 PolarHBondContact O-N 3.45Å
332P40.9Very low44.6Very low105 Ų105120.3 Ų120.368%0.68261%0.611SS**  trans-62.1150.9-179.927.7-30.9000109.7M334P332-M334 PolarHBondContact O-N 3.08Å
333P35Very low45.1Very low114 Ų114114 Ų11474%0.7458%0.578SS**  trans-7499.7-17131.3-31.8000109.5K335P333-K335 HydrophobicContact CB-CB 4.43Å; P333-K335 PolarHBondContact O-N 2.89Å; P333-K335 VanDerWaalsContact O-N 3.1Å
334M40.5Very low45.7Very low107 Ų107114.1 Ų114.153%0.52758%0.581SS.*  trans-77.265.1146.3-88.8-173.975.700107.5P332 D336P332-M334 PolarHBondContact O-N 3.08Å; M334-D336 PolarHBondContact O-N 2.77Å
335K35.8Very low46.6Very low174 Ų174107.7 Ų107.776%0.75756%0.56SS**  trans-81.2112.9163.9-96.5177.7171.8175.80105.7P333P333-K335 HydrophobicContact CB-CB 4.43Å; P333-K335 PolarHBondContact O-N 2.89Å; P333-K335 VanDerWaalsContact O-N 3.1Å
336D42.7Very low47.6Very low148 Ų148102 Ų10279%0.79153%0.53SS*.SBendtrans133.14.1148.6-56.1-17.4000116.1M334M334-D336 PolarHBondContact O-N 2.77Å
337M54.3Low49.5Very low83 Ų8398.3 Ų98.341%0.40951%0.507SS..  trans-141.953.4177-64-171.3-175.600115.2M190 V296M190-M337 HydrophobicContact CE-CB 3.98Å; M190-M337 HydrophobicContact CE-CG 4.41Å; V296-M337 PolarHBondContact N-O 2.82Å
338E53Low50.7Low85 Ų8592.4 Ų92.440%0.39748%0.48SS..EExtended strand (participates in β ladder)trans-107.9142.9170.3-167.3172.1-17700109.6L130 H235 A293L130-E338 WeakPolarHBondContact CD1-O 3.44Å; H235-E338 IonicContact CE1-OE1 3.03Å; H235-E338 PolarHBondContact CE1-OE1 2.99Å; H235-E338 VanDerWaalsContact CE1-OE1 3.3Å; A293-E338 HydrophobicContact CB-CG 4.27Å; A293-E338 WeakPolarHBondContact CB-OE1 3.18Å
339M56.1Low51.9Low25 Ų2588.8 Ų88.812%0.12345%0.453CS..EExtended strand (participates in β ladder)trans-130.1120.7175-69.9-177.1-70.300110.3M190 P191 C193 A293 I294 V296M190-M339 HydrophobicContact CE-CE 3.94Å; M190-M339 HydrophobicContact CE-CG 3.46Å; M190-M339 VanDerWaalsContact CE-CG 3.46Å; M190-M339 HydrophobicContact CE-SD 3.77Å; M190-M339 HydrophobicContact CG-CE 4.39Å; M190-M339 HydrophobicContact CG-SD 4.11Å; M190-M339 HydrophobicContact SD-CG 4.01Å; M190-M339 HydrophobicContact SD-SD 3.84Å; P191-M339 HydrophobicContact CG-CE 4.22Å; P191-M339 WeakPolarHBondContact O-CE 3.46Å; P191-M339 VanDerWaalsContact O-SD 3.36Å; C193-M339 HydrophobicContact CB-CE 4.42Å; C193-M339 WeakPolarHBondContact SG-CE 3.5Å; A293-M339 CarbonylContact C-O 3.49Å; I294-M339 PolarHBondContact N-O 3.07Å; I294-M339 PolarHBondContact O-N 2.88Å; V296-M339 HydrophobicContact CG2-CE 3.67Å
340D53.3Low53Low95 Ų9581.8 Ų81.851%0.50843%0.429SS..EExtended strand (participates in β ladder)trans-84.4125172-73-36.2000110.7
341I65.8Low54.2Low21 Ų2183.1 Ų83.111%0.10843%0.426CS..EExtended strand (participates in β ladder)trans-122.6129.9-179.9-48.2176.1000109.7C193 C292 I294C193-I341 HydrophobicContact CB-CD1 3.21Å; C193-I341 HydrophobicContact CB-CG1 4.46Å; C292-I341 PolarHBondContact N-O 2.92Å; C292-I341 VanDerWaalsContact N-O 3.08Å; C292-I341 PolarHBondContact O-N 2.85Å; I294-I341 HydrophobicContact CB-CD1 4.49Å; I294-I341 HydrophobicContact CD1-CD1 3.32Å; I294-I341 HydrophobicContact CD1-CG1 4.47Å; I294-I341 HydrophobicContact CG1-CD1 3.8Å
342N63.9Low54.9Low50 Ų5084.5 Ų84.527%0.26743%0.429SS..EExtended strand (participates in β ladder)trans-116.4144.7-179.1-58.6-10.9000109.9R125 Q127 Q291R125-N342 PolarHBondContact NH2-ND2 3.36Å; R125-N342 VanDerWaalsContact NH2-ND2 3.18Å; Q127-N342 VanDerWaalsContact CD-ND2 3.33Å; Q127-N342 PolarHBondContact NE2-ND2 3.05Å; Q127-N342 VanDerWaalsContact NE2-ND2 3.11Å; Q127-N342 PolarHBondContact OE1-ND2 3.36Å; Q291-N342 HydrophobicContact CG-CB 4.31Å; Q291-N342 WeakPolarHBondContact CG-OD1 3.34Å
343I62Low55.2Low23 Ų2383 Ų8312%0.11842%0.416CS..  trans-95.4147.7172.5-83.8-177.1000111.9Y195 I197 F290 K345Y195-I343 HydrophobicContact CD1-CB 4.23Å; Y195-I343 HydrophobicContact CD1-CD1 3.37Å; Y195-I343 HydrophobicContact CD1-CG1 3.32Å; Y195-I343 HydrophobicContact CD2-CD1 3.44Å; Y195-I343 VanDerWaalsContact CD2-CD1 3.44Å; Y195-I343 HydrophobicContact CD2-CG1 4.19Å; Y195-I343 HydrophobicContact CE1-CB 4.23Å; Y195-I343 HydrophobicContact CE1-CD1 3.32Å; Y195-I343 HydrophobicContact CE1-CG1 3.62Å; Y195-I343 HydrophobicContact CE2-CD1 3.38Å; Y195-I343 HydrophobicContact CE2-CG1 4.42Å; Y195-I343 HydrophobicContact CG-CD1 3.38Å; Y195-I343 HydrophobicContact CG-CG1 3.58Å; Y195-I343 WeakPolarHBondContact O-CD1 3.46Å; Y195-I343 WeakPolarHBondContact O-CG1 3.38Å; I197-I343 HydrophobicContact CD1-CD1 4.15Å; I197-I343 HydrophobicContact CD1-CG2 4.41Å; I197-I343 HydrophobicContact CG1-CD1 3.73Å; F290-I343 PolarHBondContact O-N 3.08Å; I343-K345 PolarHBondContact O-N 3.38Å
344E59.3Low55.6Low149 Ų14980.8 Ų80.870%0.69640%0.403SS*.  trans-64.4128168.5-167.4-179.9-148.400110.3R208 F346R208-E344 IonicContact NH1-OE2 3.14Å; R208-E344 PolarHBondContact NH1-OE2 3.16Å; R208-E344 VanDerWaalsContact NH1-OE2 3.14Å; E344-F346 PolarHBondContact O-N 2.83Å
345K56.5Low55.8Low107 Ų10781.1 Ų81.147%0.46541%0.411SS..  trans-31.7127.1-173.5-71178178.8175.30114.6I343I343-K345 PolarHBondContact O-N 3.38Å
346F72.8Confident56.1Low6 Ų681.3 Ų81.33%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-105.2132.9178.7174.8-98000110.6I197 V207 A210 V279 S287 L288 F290 E344 A348I197-F346 HydrophobicContact CD1-CB 4.26Å; I197-F346 HydrophobicContact CD1-CD2 4.1Å; I197-F346 HydrophobicContact CD1-CG 4.15Å; I197-F346 HydrophobicContact CG2-CD2 4.46Å; I197-F346 HydrophobicContact CG2-CE2 4.06Å; V207-F346 HydrophobicContact CB-CE2 4Å; V207-F346 HydrophobicContact CG1-CE2 3.6Å; V207-F346 HydrophobicContact CG1-CZ 4.37Å; A210-F346 HydrophobicContact CB-CE1 4.31Å; A210-F346 HydrophobicContact CB-CE2 4.01Å; A210-F346 HydrophobicContact CB-CZ 3.4Å; V279-F346 HydrophobicContact CG1-CE1 3.95Å; V279-F346 HydrophobicContact CG1-CZ 4.31Å; V279-F346 HydrophobicContact CG2-CE1 4.19Å; V279-F346 HydrophobicContact CG2-CZ 3.87Å; S287-F346 CarbonylContact C-O 3.58Å; S287-F346 WeakPolarHBondContact CA-O 3.38Å; L288-F346 PolarHBondContact N-O 2.91Å; L288-F346 PolarHBondContact O-N 3.31Å; F290-F346 HydrophobicContact CE2-CD1 4.33Å; E344-F346 PolarHBondContact O-N 2.83Å; F346-A348 HydrophobicContact CE1-CB 4.48Å
347E71.5Confident56Low82 Ų8281.6 Ų81.638%0.38341%0.413SS..EExtended strand (participates in β ladder)trans-106.2122.7-179.1-68.8-172.1-176.600112.7R208 F209 A210 T286R208-E347 PolarHBondContact O-N 3.45Å; F209-E347 WeakPolarHBondContact CA-O 3.38Å; F209-E347 HydrophobicContact CD1-CB 3.77Å; F209-E347 HydrophobicContact CE1-CB 4.15Å; F209-E347 HydrophobicContact CE1-CG 4.47Å; F209-E347 VanDerWaalsContact CE1-OE2 3.28Å; F209-E347 WeakPolarHBondContact CE1-OE2 3.18Å; A210-E347 PolarHBondContact N-O 2.87Å; A210-E347 VanDerWaalsContact N-O 3.14Å; T286-E347 CarbonylContact O-C 3.55Å; T286-E347 VanDerWaalsContact O-CA 3.28Å; T286-E347 WeakPolarHBondContact O-CA 3.33Å
348A63.9Low55.1Low1 Ų187.5 Ų87.51%0.00843%0.43CS..EExtended strand (participates in β ladder)trans-99.4114.9177.400000110.4A210 V279 K281 T286 F346A210-A348 WeakPolarHBondContact O-CA 3.33Å; V279-A348 HydrophobicContact CG1-CB 3.83Å; K281-A348 HydrophobicContact CB-CB 4.01Å; K281-A348 HydrophobicContact CD-CB 4.42Å; T286-A348 PolarHBondContact O-N 3.32Å; F346-A348 HydrophobicContact CE1-CB 4.48Å
349M55.9Low54.4Low71 Ų7191.7 Ų91.735%0.3545%0.45SS..EExtended strand (participates in β ladder)trans-91.3129.1-176.9-62.3178.6-67.400111.2F209 A210 I212F209-M349 HydrophobicContact CB-CE 3.54Å; F209-M349 HydrophobicContact CB-SD 4.13Å; A210-M349 PolarHBondContact O-N 2.96Å; I212-M349 PolarHBondContact N-O 3.07Å
350T59.5Low53.7Low27 Ų2797.8 Ų97.817%0.16648%0.478CS..  trans-78.2152.3168.941.90000110.7I212 K281 E352 N353I212-T350 HydrophobicContact CD1-CG2 3.42Å; I212-T350 VanDerWaalsContact CD1-CG2 3.42Å; K281-T350 HydrophobicContact CD-CG2 4.21Å; T350-E352 PolarHBondContact O-N 3.03Å; T350-E352 VanDerWaalsContact O-N 3.15Å; T350-N353 WeakPolarHBondContact O-CB 3.33Å; T350-N353 PolarHBondContact O-N 3.09Å
351L55.9Low52.6Low144 Ų14499.1 Ų99.175%0.75449%0.492SS*.THydrogen-bonded Turntrans-57-27.9174.5-149.484000112.1N353 S354L351-N353 VanDerWaalsContact C-N 3.26Å; L351-N353 PolarHBondContact O-N 2.98Å; L351-S354 WeakPolarHBondContact O-CB 3.01Å; L351-S354 PolarHBondContact O-N 2.81Å
352E53.5Low50.9Low157 Ų157104.1 Ų104.173%0.73451%0.514SS*.THydrogen-bonded Turntrans-64.3-26174.4-74.5-177.2135.700113.9T350 S354 V355T350-E352 PolarHBondContact O-N 3.03Å; T350-E352 VanDerWaalsContact O-N 3.15Å; E352-S354 VanDerWaalsContact C-N 3.27Å; E352-S354 PolarHBondContact O-N 3.27Å; E352-V355 PolarHBondContact O-N 3Å
353N48.3Very low49.6Very low75 Ų75109.5 Ų109.540%0.40154%0.537SS..Hα-helixtrans-78.3-11.1174.4-72-1.4000112.6T350 L351 V355T350-N353 WeakPolarHBondContact O-CB 3.33Å; T350-N353 PolarHBondContact O-N 3.09Å; L351-N353 VanDerWaalsContact C-N 3.26Å; L351-N353 PolarHBondContact O-N 2.98Å; N353-V355 VanDerWaalsContact C-N 3.29Å; N353-V355 PolarHBondContact O-N 2.71Å
354S42.4Very low48.2Very low67 Ų67114.2 Ų114.247%0.46956%0.562SS.*Hα-helixtrans-77.7-11.4173.4-77.60000113.9L351 E352L351-S354 WeakPolarHBondContact O-CB 3.01Å; L351-S354 PolarHBondContact O-N 2.81Å; E352-S354 VanDerWaalsContact C-N 3.27Å; E352-S354 PolarHBondContact O-N 3.27Å
355V46Very low47.1Very low114 Ų114113.5 Ų113.569%0.69156%0.562SS**Hα-helixtrans-105.8-28.3-177.1-175.80000112.3E352 N353E352-V355 PolarHBondContact O-N 3Å; N353-V355 VanDerWaalsContact C-N 3.29Å; N353-V355 PolarHBondContact O-N 2.71Å
356K41.3Very low46.1Very low178 Ų178114.4 Ų114.477%0.77458%0.577SS**Hα-helixtrans-90.9-9.6-176.5-77-175.5176.2176.40116.5
357D40.1Very low44.4Very low154 Ų154119.4 Ų119.482%0.82461%0.613SS**THydrogen-bonded Turntrans-97.814.4170.4-86.7-29.8000113.1
358R36.4Very low42.7Very low206 Ų206119.3 Ų119.378%0.77763%0.633SS**  trans-10213.8-179.5-137.1177-174.7177.20.5115.1
359E38.5Very low41.6Very low174 Ų174128.4 Ų128.481%0.81367%0.673SS**  trans-11282.3160.9-75.5173.1129.800107.6
360Q40.5Very low41.2Very low152 Ų152131.7 Ų131.771%0.7169%0.692SS**  78.1144.5102.7-90.3-169-1500114.6
361P29.6Very low41Very low124 Ų124135.9 Ų135.981%0.80572%0.722SS**  cis-117.4120.636.513.610000113.9
362F30.6Very low41.8Very low126 Ų126137.2 Ų137.255%0.55372%0.722SS**  60.9100.3125.5-158.5-100.5000116.3
363H37Very low43.2Very low162 Ų162136 Ų13675%0.7573%0.729SS**  -160.2140.2109.7-100.5-73.8000109.9
364D32.6Very low44.9Very low122 Ų122136.8 Ų136.865%0.65273%0.733SS**  trans-35.6131.7178.4-72-58000113.9
365L35.7Very low47Very low134 Ų134137 Ų13770%0.70274%0.735SS**  50.6126.878.8-101.198.6000113.6
366T36.5Very low49Very low126 Ų126138.5 Ų138.577%0.77374%0.738SS**  trans85118.6155.566.10000118.1
367S37.5Very low51.3Low112 Ų112134.7 Ų134.778%0.78373%0.731SS**  trans94.9117.7131.3-144.30000114.7K369S367-K369 PolarHBondContact O-N 3.43Å
368G35.1Very low53.6Low79 Ų79129 Ų12981%0.81471%0.706SS**  trans-45.4112.6172.600000111.3
369K41.5Very low56.2Low193 Ų193125.6 Ų125.684%0.83970%0.697SS**  trans-171.2130.1164.5-111.2161.3179.9172.10107.5S367 S371S367-K369 PolarHBondContact O-N 3.43Å; K369-S371 PolarHBondContact O-N 2.88Å; K369-S371 VanDerWaalsContact O-N 3.12Å
370N47.1Very low58.8Low139 Ų139119.2 Ų119.274%0.74368%0.678SS**  trans-42.4111.3-174.9-60.8-14000113F372N370-F372 HydrophobicContact CB-CD2 4.41Å; N370-F372 HydrophobicContact CB-CE2 3.73Å; N370-F372 HydrophobicContact CB-CZ 4.02Å
371S55.4Low61.4Low115 Ų115115 Ų11580%0.80467%0.669SS**  trans-83.8115.117044.60000109.6K369K369-S371 PolarHBondContact O-N 2.88Å; K369-S371 VanDerWaalsContact O-N 3.12Å
372F72.6Confident64.4Low172 Ų172113.5 Ų113.575%0.75465%0.653SS**  trans-95.2121172.6-63.8-83.5000109.4N370 L374N370-F372 HydrophobicContact CB-CD2 4.41Å; N370-F372 HydrophobicContact CB-CE2 3.73Å; N370-F372 HydrophobicContact CB-CZ 4.02Å; F372-L374 PolarHBondContact O-N 2.87Å
373C82.7Confident67.5Low131 Ų131110.8 Ų110.889%0.88565%0.647SS**  trans-84.1109.2173.1-65.80000109.3
374L84.6Confident70.3Confident92 Ų92106.5 Ų106.548%0.48264%0.635SS.*  trans-111.9141173.4-135.381.7000110.3F372 A378 L382F372-L374 PolarHBondContact O-N 2.87Å; L374-A378 VanDerWaalsContact CD2-C 3.46Å; L374-A378 HydrophobicContact CD2-CB 3.48Å; L374-A378 VanDerWaalsContact CD2-CB 3.48Å; L374-A378 HydrophobicContact CG-CB 3.6Å; L374-L382 HydrophobicContact CD2-CD1 3.34Å; L374-L382 HydrophobicContact CD2-CG 4.1Å
375S86Confident73.3Confident73 Ų73106.7 Ų106.751%0.5163%0.63SS.*  trans-63.8150.9174.570.70000110.8P377 A378 F379S375-P377 VanDerWaalsContact C-CD 3.45Å; S375-P377 VanDerWaalsContact C-N 3.33Å; S375-P377 WeakPolarHBondContact OG-CG 3.39Å; S375-A378 WeakPolarHBondContact O-CA 3.23Å; S375-A378 WeakPolarHBondContact O-CB 3.38Å; S375-A378 PolarHBondContact O-N 2.94Å; S375-A378 WeakPolarHBondContact OG-CB 3.45Å; S375-A378 PolarHBondContact OG-N 3.14Å; S375-F379 PolarHBondContact O-N 2.88Å
376I87.1Confident76.2Confident145 Ų145103.7 Ų103.774%0.74462%0.62SS**Hα-helixtrans-48-47177.2-61.1173.7000113A378 F379 G380I376-A378 VanDerWaalsContact C-N 3.34Å; I376-A378 PolarHBondContact O-N 3.29Å; I376-F379 PolarHBondContact O-N 2.98Å; I376-G380 PolarHBondContact O-N 3.46Å
377P89.4Confident79Confident98 Ų98101.2 Ų101.264%0.63661%0.605SS**Hα-helixtrans-66.9-35.2178.325.2-34000112.7S375 G380 A381S375-P377 VanDerWaalsContact C-CD 3.45Å; S375-P377 VanDerWaalsContact C-N 3.33Å; S375-P377 WeakPolarHBondContact OG-CG 3.39Å; P377-G380 PolarHBondContact O-N 2.81Å; P377-A381 PolarHBondContact O-N 2.83Å
378A89.5Confident81.9Confident35 Ų35100 Ų10029%0.28959%0.589SS.*Hα-helixtrans-67.7-37.9176.900000111.7L374 S375 I376 A381 L382L374-A378 VanDerWaalsContact CD2-C 3.46Å; L374-A378 HydrophobicContact CD2-CB 3.48Å; L374-A378 VanDerWaalsContact CD2-CB 3.48Å; L374-A378 HydrophobicContact CG-CB 3.6Å; S375-A378 WeakPolarHBondContact O-CA 3.23Å; S375-A378 WeakPolarHBondContact O-CB 3.38Å; S375-A378 PolarHBondContact O-N 2.94Å; S375-A378 WeakPolarHBondContact OG-CB 3.45Å; S375-A378 PolarHBondContact OG-N 3.14Å; I376-A378 VanDerWaalsContact C-N 3.34Å; I376-A378 PolarHBondContact O-N 3.29Å; A378-A381 PolarHBondContact O-N 3.45Å; A378-L382 PolarHBondContact O-N 2.99Å
379F91.7Very high84.8Confident134 Ų134100.5 Ų100.559%0.58857%0.571SS**Hα-helixtrans-64.9-42.4174.5-178.5-99.9000111S375 I376 A381 L382 V383S375-F379 PolarHBondContact O-N 2.88Å; I376-F379 PolarHBondContact O-N 2.98Å; F379-A381 VanDerWaalsContact C-N 3.34Å; F379-A381 PolarHBondContact O-N 2.81Å; F379-L382 PolarHBondContact O-N 3.25Å; F379-V383 HydrophobicContact CD1-CG2 4.25Å; F379-V383 HydrophobicContact CE1-CG2 3.84Å; F379-V383 HydrophobicContact CE2-CG2 4.33Å; F379-V383 HydrophobicContact CZ-CG2 3.88Å; F379-V383 WeakPolarHBondContact O-CG2 3.21Å; F379-V383 PolarHBondContact O-N 2.04Å
380G92.1Very high87.4Confident40 Ų4097 Ų9741%0.41256%0.561SS.*Hα-helixtrans-59.3-42.1173.700000113.1I376 P377 V383 S384I376-G380 PolarHBondContact O-N 3.46Å; P377-G380 PolarHBondContact O-N 2.81Å; G380-V383 PolarHBondContact O-N 2.97Å; G380-S384 WeakPolarHBondContact O-CB 3.09Å; G380-S384 PolarHBondContact O-N 2.82Å
381A94.2Very high89.8Confident63 Ų6394.3 Ų94.352%0.52155%0.55SS..Hα-helixtrans-64.1-42.3176.700000112.3P377 A378 F379 S384 F385P377-A381 PolarHBondContact O-N 2.83Å; A378-A381 PolarHBondContact O-N 3.45Å; F379-A381 VanDerWaalsContact C-N 3.34Å; F379-A381 PolarHBondContact O-N 2.81Å; A381-S384 PolarHBondContact O-N 2.98Å; A381-F385 WeakPolarHBondContact O-CB 3.25Å; A381-F385 PolarHBondContact O-N 3.01Å
382L93.9Very high91.8Very high93 Ų9393 Ų9349%0.48753%0.533SS..Hα-helixtrans-64.1-44.9176.8-74.9-179.7000112.3L374 A378 F379 S384 F385 C386L374-L382 HydrophobicContact CD2-CD1 3.34Å; L374-L382 HydrophobicContact CD2-CG 4.1Å; A378-L382 PolarHBondContact O-N 2.99Å; F379-L382 PolarHBondContact O-N 3.25Å; L382-S384 VanDerWaalsContact C-N 3.33Å; L382-S384 PolarHBondContact O-N 3.33Å; L382-F385 PolarHBondContact O-N 3.3Å; L382-C386 WeakPolarHBondContact O-CB 3.33Å; L382-C386 PolarHBondContact O-N 3.41Å; L382-C386 PolarHBondContact O-SG 3.37Å
383V95Very high92.9Very high69 Ų6987.2 Ų87.242%0.41851%0.514SS..Hα-helixtrans-62-44.5177.4173.70000110.3F379 G380 F385 C386 T387F379-V383 HydrophobicContact CD1-CG2 4.25Å; F379-V383 HydrophobicContact CE1-CG2 3.84Å; F379-V383 HydrophobicContact CE2-CG2 4.33Å; F379-V383 HydrophobicContact CZ-CG2 3.88Å; F379-V383 WeakPolarHBondContact O-CG2 3.21Å; F379-V383 PolarHBondContact O-N 2.04Å; G380-V383 PolarHBondContact O-N 2.97Å; V383-F385 VanDerWaalsContact C-N 3.32Å; V383-F385 PolarHBondContact O-N 3.01Å; V383-C386 PolarHBondContact O-N 3.01Å; V383-T387 HydrophobicContact CG1-CG2 4.43Å; V383-T387 WeakPolarHBondContact O-CG2 3.31Å; V383-T387 PolarHBondContact O-N 3.13Å; V383-T387 PolarHBondContact O-OG1 3.38Å
384S95.4Very high93.5Very high72 Ų7283.6 Ų83.650%0.50349%0.494SS..Hα-helixtrans-63-36.5177.3-171.50000112.9G380 A381 L382 T387 L388G380-S384 WeakPolarHBondContact O-CB 3.09Å; G380-S384 PolarHBondContact O-N 2.82Å; A381-S384 PolarHBondContact O-N 2.98Å; L382-S384 VanDerWaalsContact C-N 3.33Å; L382-S384 PolarHBondContact O-N 3.33Å; S384-T387 WeakPolarHBondContact CA-OG1 3.36Å; S384-T387 PolarHBondContact O-OG1 2.8Å; S384-L388 WeakPolarHBondContact O-CB 3.24Å; S384-L388 PolarHBondContact O-N 2.94Å
385F96.6Very high94.1Very high125 Ų12584.8 Ų84.855%0.54850%0.498SS..Hα-helixtrans-70.2-43.9177.3-176.4-98000111.2A381 L382 V383 T387 L388 M389A381-F385 WeakPolarHBondContact O-CB 3.25Å; A381-F385 PolarHBondContact O-N 3.01Å; L382-F385 PolarHBondContact O-N 3.3Å; V383-F385 VanDerWaalsContact C-N 3.32Å; V383-F385 PolarHBondContact O-N 3.01Å; F385-T387 PolarHBondContact O-N 3.46Å; F385-L388 PolarHBondContact O-N 2.89Å; F385-M389 HydrophobicContact CD1-CG 4.28Å; F385-M389 HydrophobicContact CE1-CG 3.9Å; F385-M389 HydrophobicContact CE2-CE 3.79Å; F385-M389 HydrophobicContact CZ-CE 3.72Å; F385-M389 HydrophobicContact CZ-CG 4.06Å; F385-M389 HydrophobicContact CZ-SD 4.47Å; F385-M389 WeakPolarHBondContact O-CG 3.3Å; F385-M389 PolarHBondContact O-N 3.08Å
386C96.2Very high94.5Very high71 Ų7186.4 Ų86.448%0.4850%0.5SS..Hα-helixtrans-62.8-41.8177-71.40000112.3L382 V383 M389 L390L382-C386 WeakPolarHBondContact O-CB 3.33Å; L382-C386 PolarHBondContact O-N 3.41Å; L382-C386 PolarHBondContact O-SG 3.37Å; V383-C386 PolarHBondContact O-N 3.01Å; C386-M389 PolarHBondContact O-N 3.04Å; C386-L390 VanDerWaalsContact O-CG 3.32Å; C386-L390 WeakPolarHBondContact O-CG 3.45Å; C386-L390 PolarHBondContact O-N 2.85Å
387T96.2Very high94.9Very high74 Ų7484 Ų8445%0.45449%0.488SS..Hα-helixtrans-65.5-4017754.70000111.6V383 S384 F385 L390 T391V383-T387 HydrophobicContact CG1-CG2 4.43Å; V383-T387 WeakPolarHBondContact O-CG2 3.31Å; V383-T387 PolarHBondContact O-N 3.13Å; V383-T387 PolarHBondContact O-OG1 3.38Å; S384-T387 WeakPolarHBondContact CA-OG1 3.36Å; S384-T387 PolarHBondContact O-OG1 2.8Å; F385-T387 PolarHBondContact O-N 3.46Å; T387-L390 PolarHBondContact O-N 2.87Å; T387-T391 WeakPolarHBondContact O-CG2 3.39Å; T387-T391 PolarHBondContact O-N 2.89Å; T387-T391 PolarHBondContact O-OG1 3.44Å
388L97.1Very high95.1Very high86 Ų8681.5 Ų81.545%0.4548%0.475SS..Hα-helixtrans-63.7-42.5176.2-169.2155.5000111.7S384 F385 L390 T391 L392S384-L388 WeakPolarHBondContact O-CB 3.24Å; S384-L388 PolarHBondContact O-N 2.94Å; F385-L388 PolarHBondContact O-N 2.89Å; L388-L390 VanDerWaalsContact C-N 3.34Å; L388-L390 PolarHBondContact O-N 2.72Å; L388-T391 PolarHBondContact O-N 2.59Å; L388-T391 PolarHBondContact O-OG1 3.34Å; L388-L392 HydrophobicContact CD2-CD1 3.48Å; L388-L392 VanDerWaalsContact CD2-CD1 3.48Å; L388-L392 HydrophobicContact CD2-CG 4.02Å; L388-L392 WeakPolarHBondContact O-CB 3.38Å; L388-L392 WeakPolarHBondContact O-CG 3.36Å; L388-L392 PolarHBondContact O-N 3.45Å
389M96.6Very high95.3Very high90 Ų9084.8 Ų84.844%0.44349%0.487SS..Hα-helixtrans-65.5-37.4177.2-73.3-66.2146.500112.5F385 C386 S393F385-M389 HydrophobicContact CD1-CG 4.28Å; F385-M389 HydrophobicContact CE1-CG 3.9Å; F385-M389 HydrophobicContact CE2-CE 3.79Å; F385-M389 HydrophobicContact CZ-CE 3.72Å; F385-M389 HydrophobicContact CZ-CG 4.06Å; F385-M389 HydrophobicContact CZ-SD 4.47Å; F385-M389 WeakPolarHBondContact O-CG 3.3Å; F385-M389 PolarHBondContact O-N 3.08Å; C386-M389 PolarHBondContact O-N 3.04Å; M389-S393 WeakPolarHBondContact O-CB 3.41Å; M389-S393 PolarHBondContact O-N 2.99Å; M389-S393 PolarHBondContact O-OG 2.81Å
390L96.8Very high95.4Very high119 Ų11984.5 Ų84.562%0.62349%0.489SS*.Hα-helixtrans-70.1-36.7176-71.5172.2000112.8C386 T387 L388 S393 A394C386-L390 VanDerWaalsContact O-CG 3.32Å; C386-L390 WeakPolarHBondContact O-CG 3.45Å; C386-L390 PolarHBondContact O-N 2.85Å; T387-L390 PolarHBondContact O-N 2.87Å; L388-L390 VanDerWaalsContact C-N 3.34Å; L388-L390 PolarHBondContact O-N 2.72Å; L390-S393 PolarHBondContact O-OG 3.35Å; L390-A394 WeakPolarHBondContact O-CB 3.02Å; L390-A394 PolarHBondContact O-N 2.04Å
391T96.5Very high95.4Very high83 Ų8390.5 Ų90.551%0.50950%0.501SS..Hα-helixtrans-71.5-39.3176.6560000111.7T387 L388 A394 M395T387-T391 WeakPolarHBondContact O-CG2 3.39Å; T387-T391 PolarHBondContact O-N 2.89Å; T387-T391 PolarHBondContact O-OG1 3.44Å; L388-T391 PolarHBondContact O-N 2.59Å; L388-T391 PolarHBondContact O-OG1 3.34Å; T391-A394 PolarHBondContact O-N 2.83Å; T391-M395 WeakPolarHBondContact O-CB 3.17Å; T391-M395 WeakPolarHBondContact O-CG 3.47Å; T391-M395 PolarHBondContact O-N 2.88Å
392L97Very high95.2Very high87 Ų8792.7 Ų92.746%0.45550%0.503SS..Hα-helixtrans-63.1-42.5174.2-72.2-178.2000111.8L388 M395 I396L388-L392 HydrophobicContact CD2-CD1 3.48Å; L388-L392 VanDerWaalsContact CD2-CD1 3.48Å; L388-L392 HydrophobicContact CD2-CG 4.02Å; L388-L392 WeakPolarHBondContact O-CB 3.38Å; L388-L392 WeakPolarHBondContact O-CG 3.36Å; L388-L392 PolarHBondContact O-N 3.45Å; L392-M395 PolarHBondContact O-N 3.39Å; L392-I396 VanDerWaalsContact O-CG1 3.29Å; L392-I396 WeakPolarHBondContact O-CG1 3.41Å; L392-I396 PolarHBondContact O-N 3.06Å
393S96.6Very high95Very high51 Ų5190.6 Ų90.636%0.35750%0.499SS..Hα-helixtrans-66-4117869.20000112.2M389 L390 M395 I396 I397M389-S393 WeakPolarHBondContact O-CB 3.41Å; M389-S393 PolarHBondContact O-N 2.99Å; M389-S393 PolarHBondContact O-OG 2.81Å; L390-S393 PolarHBondContact O-OG 3.35Å; S393-M395 PolarHBondContact O-N 3.05Å; S393-I396 PolarHBondContact O-N 3.13Å; S393-I397 VanDerWaalsContact O-CG1 3.27Å; S393-I397 WeakPolarHBondContact O-CG1 3.45Å; S393-I397 PolarHBondContact O-N 2.89Å
394A96.2Very high94.5Very high55 Ų5595.4 Ų95.446%0.45551%0.51SS..Hα-helixtrans-63.1-40.8174.500000112.4L390 T391 I397 A398L390-A394 WeakPolarHBondContact O-CB 3.02Å; L390-A394 PolarHBondContact O-N 2.04Å; T391-A394 PolarHBondContact O-N 2.83Å; A394-I397 PolarHBondContact O-N 2.97Å; A394-A398 WeakPolarHBondContact O-CB 3.07Å; A394-A398 PolarHBondContact O-N 2.92Å
395M95.7Very high94Very high117 Ų11799 Ų9958%0.57652%0.516SS*.Hα-helixtrans-64.4-42.3175.7-76.4-61.6-62.600112.2T391 L392 S393 A398 L399T391-M395 WeakPolarHBondContact O-CB 3.17Å; T391-M395 WeakPolarHBondContact O-CG 3.47Å; T391-M395 PolarHBondContact O-N 2.88Å; L392-M395 PolarHBondContact O-N 3.39Å; S393-M395 PolarHBondContact O-N 3.05Å; M395-A398 PolarHBondContact O-N 3.06Å; M395-L399 WeakPolarHBondContact O-CB 3.38Å; M395-L399 WeakPolarHBondContact O-CG 3.03Å; M395-L399 PolarHBondContact O-N 3.1Å
396I95.7Very high93.1Very high107 Ų10799.6 Ų99.655%0.54952%0.521SS..Hα-helixtrans-62.8-43.8175.7-68.9165.7000110.3L392 S393 L399 M400L392-I396 VanDerWaalsContact O-CG1 3.29Å; L392-I396 WeakPolarHBondContact O-CG1 3.41Å; L392-I396 PolarHBondContact O-N 3.06Å; S393-I396 PolarHBondContact O-N 3.13Å; I396-L399 PolarHBondContact O-N 2.94Å; I396-M400 HydrophobicContact CG2-CG 4.4Å; I396-M400 WeakPolarHBondContact O-CB 3.4Å; I396-M400 VanDerWaalsContact O-CG 3.23Å; I396-M400 WeakPolarHBondContact O-CG 3.02Å; I396-M400 PolarHBondContact O-N 2.73Å
397I95Very high91.9Very high96 Ų96102.3 Ų102.349%0.49253%0.53SS..Hα-helixtrans-63.1-43.8177.1-67.7165.5000110.7S393 A394 L399 M400 Y401S393-I397 VanDerWaalsContact O-CG1 3.27Å; S393-I397 WeakPolarHBondContact O-CG1 3.45Å; S393-I397 PolarHBondContact O-N 2.89Å; A394-I397 PolarHBondContact O-N 2.97Å; I397-L399 PolarHBondContact O-N 3.03Å; I397-M400 PolarHBondContact O-N 3.25Å; I397-Y401 HydrophobicContact CG2-CD2 3.74Å; I397-Y401 HydrophobicContact CG2-CE2 3.87Å; I397-Y401 WeakPolarHBondContact O-CD2 3.03Å; I397-Y401 PolarHBondContact O-N 2.04Å
398A94.1Very high90.4Very high44 Ų44104.3 Ų104.336%0.36454%0.537SS..Hα-helixtrans-61.4-4317700000112A394 M395 Y401 L402A394-A398 WeakPolarHBondContact O-CB 3.07Å; A394-A398 PolarHBondContact O-N 2.92Å; M395-A398 PolarHBondContact O-N 3.06Å; A398-Y401 PolarHBondContact O-N 3.24Å; A398-L402 WeakPolarHBondContact O-CG 3.22Å; A398-L402 PolarHBondContact O-N 3.08Å
399L93.9Very high88.9Confident104 Ų104109.3 Ų109.355%0.54555%0.552SS.*Hα-helixtrans-63-41.5174.4-73171.6000111.9M395 I396 I397 Y401 L402 A403M395-L399 WeakPolarHBondContact O-CB 3.38Å; M395-L399 WeakPolarHBondContact O-CG 3.03Å; M395-L399 PolarHBondContact O-N 3.1Å; I396-L399 PolarHBondContact O-N 2.94Å; I397-L399 PolarHBondContact O-N 3.03Å; L399-Y401 VanDerWaalsContact C-N 3.34Å; L399-Y401 PolarHBondContact O-N 3.49Å; L399-L402 PolarHBondContact O-N 3.43Å; L399-A403 WeakPolarHBondContact O-CB 3.07Å; L399-A403 PolarHBondContact O-N 3.24Å
400M92.8Very high87.3Confident129 Ų129114.1 Ų114.164%0.63557%0.57SS**Hα-helixtrans-63.5-38.9174.8-71.8-67.6-66.100111.8I396 I397 R404I396-M400 HydrophobicContact CG2-CG 4.4Å; I396-M400 WeakPolarHBondContact O-CB 3.4Å; I396-M400 VanDerWaalsContact O-CG 3.23Å; I396-M400 WeakPolarHBondContact O-CG 3.02Å; I396-M400 PolarHBondContact O-N 2.73Å; I397-M400 PolarHBondContact O-N 3.25Å; M400-R404 VanDerWaalsContact O-CB 3.25Å; M400-R404 WeakPolarHBondContact O-CB 3.36Å; M400-R404 PolarHBondContact O-N 3.15Å
401Y92.3Very high85.6Confident166 Ų166112.6 Ų112.665%0.65157%0.57SS**Hα-helixtrans-66.7-41174.7-96.6-84.7000112.3I397 A398 L399 R404 K405I397-Y401 HydrophobicContact CG2-CD2 3.74Å; I397-Y401 HydrophobicContact CG2-CE2 3.87Å; I397-Y401 WeakPolarHBondContact O-CD2 3.03Å; I397-Y401 PolarHBondContact O-N 2.04Å; A398-Y401 PolarHBondContact O-N 3.24Å; L399-Y401 VanDerWaalsContact C-N 3.34Å; L399-Y401 PolarHBondContact O-N 3.49Å; Y401-R404 PolarHBondContact O-N 3.08Å; Y401-K405 WeakPolarHBondContact O-CB 3.36Å; Y401-K405 PolarHBondContact O-N 3.36Å
402L90.2Very high83.7Confident108 Ų108116.6 Ų116.657%0.56558%0.583SS**Hα-helixtrans-65-46.3175.4-72.2170.3000111.1A398 L399 R404 K405 E406A398-L402 WeakPolarHBondContact O-CG 3.22Å; A398-L402 PolarHBondContact O-N 3.08Å; L399-L402 PolarHBondContact O-N 3.43Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 3.03Å; L402-K405 WeakPolarHBondContact O-CB 3.26Å; L402-K405 PolarHBondContact O-N 2.85Å; L402-K405 VanDerWaalsContact O-N 3.15Å; L402-E406 WeakPolarHBondContact O-CG 3.42Å; L402-E406 PolarHBondContact O-N 3.01Å
403A88.5Confident81.9Confident50 Ų50117.7 Ų117.741%0.41360%0.595SS.*Hα-helixtrans-61.5-38.3175.800000112.1L399 E406 L407L399-A403 WeakPolarHBondContact O-CB 3.07Å; L399-A403 PolarHBondContact O-N 3.24Å; A403-E406 PolarHBondContact O-N 2.75Å; A403-L407 WeakPolarHBondContact O-CG 3.37Å; A403-L407 PolarHBondContact O-N 3.07Å
404R86.1Confident79.9Confident169 Ų169125 Ų12564%0.63862%0.621SS**Hα-helixtrans-70.1-34.4175.8-160.3177-174.3-174.81.5112.2M400 Y401 L402 L407 L408M400-R404 VanDerWaalsContact O-CB 3.25Å; M400-R404 WeakPolarHBondContact O-CB 3.36Å; M400-R404 PolarHBondContact O-N 3.15Å; Y401-R404 PolarHBondContact O-N 3.08Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 3.03Å; R404-L407 PolarHBondContact O-N 3.16Å; R404-L408 WeakPolarHBondContact O-CG 3.34Å; R404-L408 PolarHBondContact O-N 3.03Å
405K84.2Confident77.8Confident148 Ų148130.2 Ų130.264%0.64364%0.64SS**Hα-helixtrans-66.8-41.9174.2-170.4-179.2177.9-175.10111.2Y401 L402 L407 L408 Y409Y401-K405 WeakPolarHBondContact O-CB 3.36Å; Y401-K405 PolarHBondContact O-N 3.36Å; L402-K405 WeakPolarHBondContact O-CB 3.26Å; L402-K405 PolarHBondContact O-N 2.85Å; L402-K405 VanDerWaalsContact O-N 3.15Å; K405-L407 VanDerWaalsContact C-N 3.34Å; K405-L408 PolarHBondContact O-N 2.91Å; K405-Y409 WeakPolarHBondContact O-CB 3.29Å; K405-Y409 PolarHBondContact O-N 3.4Å
406E77.6Confident75.8Confident137 Ų137132 Ų13264%0.6465%0.651SS**Hα-helixtrans-61.6-42.3173.1-71.8-65.215300111.4L402 A403 L408 Y409 F410L402-E406 WeakPolarHBondContact O-CG 3.42Å; L402-E406 PolarHBondContact O-N 3.01Å; A403-E406 PolarHBondContact O-N 2.75Å; E406-L408 PolarHBondContact O-N 3.03Å; E406-Y409 PolarHBondContact O-N 3.32Å; E406-F410 PolarHBondContact O-N 3.31Å
407L71.4Confident73.9Confident128 Ų128134.2 Ų134.267%0.6766%0.664SS**Hα-helixtrans-65.2-36175.3-78.8165.4000113.2A403 R404 K405 S411A403-L407 WeakPolarHBondContact O-CG 3.37Å; A403-L407 PolarHBondContact O-N 3.07Å; R404-L407 PolarHBondContact O-N 3.16Å; K405-L407 VanDerWaalsContact C-N 3.34Å; L407-S411 PolarHBondContact O-N 3.02Å
408L65.1Low71.8Confident117 Ų117141.2 Ų141.261%0.61370%0.702SS**Hα-helixtrans-72.9-35.6176-74.9168.9000112.1R404 K405 E406 F410 S411R404-L408 WeakPolarHBondContact O-CG 3.34Å; R404-L408 PolarHBondContact O-N 3.03Å; K405-L408 PolarHBondContact O-N 2.91Å; E406-L408 PolarHBondContact O-N 3.03Å; L408-F410 PolarHBondContact O-N 3.09Å; L408-S411 PolarHBondContact O-N 2.89Å; L408-S411 VanDerWaalsContact O-N 3.11Å
409Y64.3Low70.6Confident190 Ų190146.1 Ų146.175%0.74572%0.719SS**Hα-helixtrans-65.8-28.4176.6-156.3-98.2000112.1K405 E406 S411K405-Y409 WeakPolarHBondContact O-CB 3.29Å; K405-Y409 PolarHBondContact O-N 3.4Å; E406-Y409 PolarHBondContact O-N 3.32Å; Y409-S411 VanDerWaalsContact C-N 3.34Å
410F64.5Low69.4Low191 Ų191148.3 Ų148.384%0.83873%0.728SS**THydrogen-bonded Turntrans-81.6-10.6175.4-131.3-88.6000114.2E406 L408E406-F410 PolarHBondContact O-N 3.31Å; L408-F410 PolarHBondContact O-N 3.09Å
411S60.5Low68.1Low88 Ų88149.3 Ų149.362%0.61573%0.734SS**THydrogen-bonded Turntrans-94.72.2-177.4-165.70000114.3L407 L408 Y409 P413L407-S411 PolarHBondContact O-N 3.02Å; L408-S411 PolarHBondContact O-N 2.89Å; L408-S411 VanDerWaalsContact O-N 3.11Å; Y409-S411 VanDerWaalsContact C-N 3.34Å; S411-P413 WeakPolarHBondContact O-CD 3.33Å
412E57.1Low66.7Low166 Ų166148.4 Ų148.478%0.77674%0.738SS**  trans-96.299.6175.2-135.5175.1149.200110.5K414E412-K414 PolarHBondContact O-N 3.13Å
413P57.6Low65.2Low111 Ų111150.9 Ų150.972%0.72175%0.749SS**  trans-68.7123.5170.627-32.3000109.6S411 L415S411-P413 WeakPolarHBondContact O-CD 3.33Å; P413-L415 PolarHBondContact O-N 3.32Å; P413-L415 VanDerWaalsContact O-N 3.15Å
414K55.9Low63.7Low204 Ų204157.6 Ų157.689%0.88777%0.772SS**  trans-56.9111.6167.9-67.6178.4177.2177.60110.3E412E412-K414 PolarHBondContact O-N 3.13Å
415L52.3Low62.1Low164 Ų164156.8 Ų156.886%0.85978%0.781SS**  trans-123.392.7151.1-112.492.6000105.6P413P413-L415 PolarHBondContact O-N 3.32Å; P413-L415 VanDerWaalsContact O-N 3.15Å
416L52.3Low60.4Low154 Ų154157.5 Ų157.581%0.80679%0.792SS**  67.2100.886.9-15190.9000112.2
417N57.3Low58.9Low155 Ų155159.2 Ų159.283%0.82980%0.804SS**  trans13.8122.2153.8-67.61000119.1
418D48.9Very low57.8Low242 Ų242162 Ų162100%1.29482%0.817SS**  -143.30113.8-119.9-15.3000109.4

Retrieved 418 of 418 residues in 243.4 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).