A0A077Z693_TRITR Loading...

Ras protein Rab 2

AlphaFold DB , UniProt , Accession A0A077Z693, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.3Low91.6Very high211 Ų21136.3 Ų36.3100%1.03919%0.187SC*.  0119.40-70.3175.9-167.600108.1
2S86.4Confident91.9Very high60 Ų6033.3 Ų33.342%0.4217%0.172SC..  trans-80.6152.917448.30000110.5
3Y91.4Very high92.3Very high51 Ų5130.8 Ų30.820%0.216%0.16CC..  trans-129.5153.3169.750.3-94.9000108.6Y5 L6 M47 Q54 K56 G188Y3-Y5 WeakPolarHBondContact CD2-O 3.34Å; Y3-L6 HydrophobicContact CD2-CB 4.17Å; Y3-L6 HydrophobicContact CE2-CB 3.67Å; Y3-L6 HydrophobicContact CE2-CD1 4.35Å; Y3-M47 HydrophobicContact CD1-SD 4.49Å; Y3-Q54 CarbonylContact C-O 3.44Å; Y3-Q54 WeakPolarHBondContact CA-O 3.2Å; Y3-Q54 WeakPolarHBondContact CB-O 3.18Å; Y3-K56 HydrophobicContact CD1-CB 3.88Å; Y3-K56 HydrophobicContact CD1-CD 3.99Å; Y3-K56 HydrophobicContact CD2-CB 4.39Å; Y3-K56 HydrophobicContact CE1-CB 4.32Å; Y3-K56 HydrophobicContact CE1-CD 3.78Å; Y3-K56 HydrophobicContact CG-CB 3.92Å; Y3-G188 VanDerWaalsContact CE2-CA 3.42Å; Y3-G188 WeakPolarHBondContact O-CA 3.36Å
4A92.6Very high92.5Very high16 Ų1630 Ų3013%0.13216%0.156CC..SBendtrans-79.7-43172.100000110.6K53 Q54 G188A4-K53 HydrophobicContact CB-CB 4.14Å; A4-K53 HydrophobicContact CB-CD 4.22Å; A4-K53 HydrophobicContact CB-CG 4.46Å; A4-Q54 PolarHBondContact N-O 3.16Å; A4-G188 PolarHBondContact O-N 2.96Å
5Y94.5Very high92.6Very high14 Ų1430.7 Ų30.76%0.05516%0.162CC..EExtended strand (participates in β ladder)trans-133.3150.8-179.9-56.6-83.5000111.4Y3 F7 K53 I55 K56 Y168 I171 I178 I185 K186 L187Y3-Y5 WeakPolarHBondContact CD2-O 3.34Å; Y5-F7 HydrophobicContact CD1-CE1 4.5Å; Y5-F7 HydrophobicContact CG-CE1 4.1Å; Y5-F7 HydrophobicContact CG-CZ 4.46Å; Y5-K53 HydrophobicContact CE2-CD 3.95Å; Y5-I55 HydrophobicContact CD2-CG1 4.44Å; Y5-I55 WeakPolarHBondContact O-CA 3.26Å; Y5-K56 PolarHBondContact O-N 3.4Å; Y5-Y168 HydrophobicContact CD2-CD2 4.41Å; Y5-Y168 HydrophobicContact CD2-CE2 4.31Å; Y5-Y168 HydrophobicContact CE2-CD2 4.23Å; Y5-Y168 AromaticContact CE2-CE2 3.77Å; Y5-Y168 HydrophobicContact CE2-CE2 3.77Å; Y5-I171 HydrophobicContact CD1-CD1 4.33Å; Y5-I171 HydrophobicContact CE1-CD1 4.46Å; Y5-I171 HydrophobicContact CE1-CG2 4.33Å; Y5-I178 HydrophobicContact CE1-CG2 4.45Å; Y5-I185 HydrophobicContact CD1-CG2 4.05Å; Y5-K186 CarbonylContact C-O 3.51Å; Y5-K186 WeakPolarHBondContact CA-O 3.37Å; Y5-L187 HydrophobicContact CD1-CD2 3.9Å; Y5-L187 HydrophobicContact CE1-CD2 3.54Å
6L95.6Very high92.7Very high10 Ų1029.8 Ų29.85%0.05216%0.162CC..EExtended strand (participates in β ladder)trans-115.5125.8165.4178.9161.4000108.1Y3 K56 Q58 I185 K186Y3-L6 HydrophobicContact CD2-CB 4.17Å; Y3-L6 HydrophobicContact CE2-CB 3.67Å; Y3-L6 HydrophobicContact CE2-CD1 4.35Å; L6-K56 CarbonylContact C-O 3.57Å; L6-K56 VanDerWaalsContact CA-O 3.26Å; L6-K56 WeakPolarHBondContact CA-O 3.34Å; L6-K56 HydrophobicContact CB-CB 4.46Å; L6-K56 HydrophobicContact CD1-CD 4.37Å; L6-K56 HydrophobicContact CG-CB 4.47Å; L6-Q58 HydrophobicContact CD1-CG 4.16Å; L6-Q58 HydrophobicContact CD2-CB 4.44Å; L6-Q58 HydrophobicContact CD2-CG 4.18Å; L6-Q58 HydrophobicContact CG-CG 4.17Å; L6-I185 WeakPolarHBondContact O-CA 3.16Å; L6-K186 HydrophobicContact CB-CB 4.28Å; L6-K186 PolarHBondContact N-O 2.83Å; L6-K186 PolarHBondContact O-N 3.25Å
7F96.8Very high92.9Very high0 Ų028.1 Ų28.10%015%0.153CC..EExtended strand (participates in β ladder)trans-110.6127.2175.5-59.7-21000110.2Y5 Y9 I55 K56 L57 Q58 A164 I167 I171 I185Y5-F7 HydrophobicContact CD1-CE1 4.5Å; Y5-F7 HydrophobicContact CG-CE1 4.1Å; Y5-F7 HydrophobicContact CG-CZ 4.46Å; F7-Y9 HydrophobicContact CB-CD1 4.17Å; F7-Y9 HydrophobicContact CB-CE1 3.82Å; F7-Y9 HydrophobicContact CD2-CE1 4.48Å; F7-I55 HydrophobicContact CD2-CG2 3.67Å; F7-I55 HydrophobicContact CE2-CD1 3.91Å; F7-I55 HydrophobicContact CE2-CG2 3.77Å; F7-I55 HydrophobicContact CG-CG2 4.07Å; F7-I55 HydrophobicContact CZ-CD1 4.07Å; F7-I55 HydrophobicContact CZ-CG2 4.23Å; F7-K56 PolarHBondContact N-O 2.87Å; F7-L57 HydrophobicContact CB-CD2 3.94Å; F7-L57 HydrophobicContact CD2-CD2 4.02Å; F7-L57 HydrophobicContact CG-CD2 4.42Å; F7-Q58 PolarHBondContact O-N 2.95Å; F7-A164 HydrophobicContact CD2-CB 4.26Å; F7-A164 HydrophobicContact CE2-CB 4.39Å; F7-I167 HydrophobicContact CD1-CG2 4.07Å; F7-I167 HydrophobicContact CD2-CB 4.22Å; F7-I167 HydrophobicContact CD2-CD1 4.27Å; F7-I167 HydrophobicContact CD2-CG2 3.95Å; F7-I167 HydrophobicContact CE1-CG2 3.86Å; F7-I167 HydrophobicContact CE2-CB 3.96Å; F7-I167 HydrophobicContact CE2-CG2 3.71Å; F7-I167 HydrophobicContact CG-CG2 4.14Å; F7-I167 HydrophobicContact CZ-CB 4.35Å; F7-I167 HydrophobicContact CZ-CG2 3.68Å; F7-I171 HydrophobicContact CE1-CD1 3.51Å; F7-I171 HydrophobicContact CZ-CD1 3.64Å; F7-I185 HydrophobicContact CD1-CB 4.39Å; F7-I185 HydrophobicContact CD1-CG1 3.84Å; F7-I185 HydrophobicContact CD1-CG2 4.15Å; F7-I185 HydrophobicContact CE1-CG1 4.01Å; F7-I185 HydrophobicContact CE1-CG2 3.91Å
8K96.6Very high93.1Very high36 Ų3626.9 Ų26.916%0.15715%0.148CC..EExtended strand (participates in β ladder)trans-86.4122.6171.6175.2172.4158.9-164.60110.2Q58 Y75 R77 G78 A80 G81 G184K8-Q58 CarbonylContact C-O 3.56Å; K8-Q58 WeakPolarHBondContact CA-O 3.18Å; K8-Y75 VanDerWaalsContact CE-O 3.24Å; K8-Y75 WeakPolarHBondContact CE-O 3.37Å; K8-Y75 PolarHBondContact NZ-O 3.4Å; K8-R77 PolarHBondContact NZ-O 3.36Å; K8-G78 WeakPolarHBondContact CB-O 3.34Å; K8-G78 VanDerWaalsContact CD-O 3.28Å; K8-G78 WeakPolarHBondContact CD-O 3.4Å; K8-A80 PolarHBondContact O-N 3.36Å; K8-G81 PolarHBondContact O-N 2.99Å; K8-G184 PolarHBondContact N-O 2.73Å
9Y97.6Very high93.3Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-112.5150.9178-83.131.8000110F7 L57 Q58 I59 W60 G81 F160 T163 A164 I167F7-Y9 HydrophobicContact CB-CD1 4.17Å; F7-Y9 HydrophobicContact CB-CE1 3.82Å; F7-Y9 HydrophobicContact CD2-CE1 4.48Å; Y9-L57 HydrophobicContact CE1-CD2 4.03Å; Y9-L57 HydrophobicContact CE2-CD1 4.29Å; Y9-Q58 PolarHBondContact N-O 3.47Å; Y9-I59 HydrophobicContact CD2-CG1 4.46Å; Y9-I59 HydrophobicContact CG-CG1 4.42Å; Y9-W60 PolarHBondContact O-N 2.88Å; Y9-G81 VanDerWaalsContact CA-O 3.28Å; Y9-G81 WeakPolarHBondContact CA-O 3.15Å; Y9-F160 HydrophobicContact CD2-CD1 4.2Å; Y9-F160 HydrophobicContact CE2-CD1 4.42Å; Y9-T163 HydrophobicContact CE1-CG2 4.48Å; Y9-T163 HydrophobicContact CE2-CG2 3.72Å; Y9-T163 WeakPolarHBondContact OH-CB 3.38Å; Y9-T163 VanDerWaalsContact OH-CG2 3.3Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.42Å; Y9-T163 PolarHBondContact OH-O 2.88Å; Y9-A164 WeakPolarHBondContact OH-CA 3.32Å; Y9-A164 VanDerWaalsContact OH-CB 3.25Å; Y9-A164 WeakPolarHBondContact OH-CB 3.26Å; Y9-A164 PolarHBondContact OH-N 2.67Å; Y9-I167 HydrophobicContact CD1-CD1 4.41Å; Y9-I167 HydrophobicContact CE1-CD1 3.39Å
10I96.3Very high93.4Very high1 Ų126 Ų261%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-126.2147.116762.1177.1000109.4I12 W60 Y75 Y76 A79 G81 A82 L83 M112I10-I12 HydrophobicContact CD1-CG2 4.07Å; I10-I12 HydrophobicContact CG1-CG2 4.31Å; I10-W60 CarbonylContact C-O 3.5Å; I10-W60 WeakPolarHBondContact CA-O 3.33Å; I10-W60 HydrophobicContact CG2-CB 4.28Å; I10-Y75 WeakPolarHBondContact CG2-O 3.43Å; I10-Y76 HydrophobicContact CD1-CD1 3.14Å; I10-Y76 HydrophobicContact CD1-CE1 3.41Å; I10-Y76 VanDerWaalsContact CD1-CE1 3.41Å; I10-Y76 HydrophobicContact CD1-CG 4.24Å; I10-A79 HydrophobicContact CD1-CB 4.13Å; I10-A79 HydrophobicContact CG1-CB 4.18Å; I10-A79 HydrophobicContact CG2-CB 3.97Å; I10-G81 PolarHBondContact N-O 2.7Å; I10-G81 VanDerWaalsContact N-O 3.13Å; I10-A82 HydrophobicContact CD1-CB 4Å; I10-A82 HydrophobicContact CG1-CB 3.6Å; I10-A82 CarbonylContact O-C 3.57Å; I10-A82 WeakPolarHBondContact O-CA 3.3Å; I10-L83 PolarHBondContact O-N 3.36Å; I10-M112 HydrophobicContact CD1-SD 4.5Å
11I97.3Very high93.6Very high0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-112.8122.7170-44.3-177.9000107.8K19 L23 I59 W60 T62 L83 V85 F160I11-K19 HydrophobicContact CB-CB 4.38Å; I11-K19 HydrophobicContact CG2-CB 3.62Å; I11-K19 HydrophobicContact CG2-CD 3.92Å; I11-K19 HydrophobicContact CG2-CG 3.74Å; I11-L23 HydrophobicContact CD1-CB 3.93Å; I11-I59 HydrophobicContact CD1-CG2 3.72Å; I11-I59 HydrophobicContact CG1-CG2 3.68Å; I11-W60 PolarHBondContact N-O 3.04Å; I11-T62 PolarHBondContact O-N 2.98Å; I11-T62 PolarHBondContact O-OG1 3.13Å; I11-L83 WeakPolarHBondContact CA-O 3.34Å; I11-L83 HydrophobicContact CD1-CD1 4.48Å; I11-L83 HydrophobicContact CG1-CB 4.39Å; I11-L83 HydrophobicContact CG1-CD1 4.35Å; I11-L83 HydrophobicContact CG2-CB 4.13Å; I11-V85 HydrophobicContact CG2-CG2 3.63Å; I11-F160 HydrophobicContact CD1-CE1 4.28Å; I11-F160 HydrophobicContact CD1-CZ 4Å
12I95.9Very high95.3Very high1 Ų115.7 Ų15.71%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-129.7162.5-17561.1172000110.7I10 K19 T72 Y76 L83 L84 V85 W100 A104I10-I12 HydrophobicContact CD1-CG2 4.07Å; I10-I12 HydrophobicContact CG1-CG2 4.31Å; I12-K19 VanDerWaalsContact C-CD 3.46Å; I12-T72 HydrophobicContact CG2-CG2 4.06Å; I12-Y76 HydrophobicContact CD1-CE1 3.97Å; I12-Y76 HydrophobicContact CG2-CE1 3.85Å; I12-L83 PolarHBondContact N-O 2.78Å; I12-L84 HydrophobicContact CD1-CB 4.41Å; I12-L84 HydrophobicContact CD1-CD1 3.89Å; I12-L84 HydrophobicContact CG1-CB 4.23Å; I12-L84 HydrophobicContact CG1-CD1 3.81Å; I12-V85 PolarHBondContact O-N 3.44Å; I12-W100 HydrophobicContact CB-CE3 4.01Å; I12-W100 HydrophobicContact CB-CZ3 4.26Å; I12-A104 HydrophobicContact CD1-CB 3.89Å
13G96.2Very high95.8Very high1 Ų113.2 Ų13.21%0.018%0.077CC..  trans129.5172.2-175.100000111.9K19 G64 V85 W100G13-K19 WeakPolarHBondContact O-CE 3.46Å; G13-K19 PolarHBondContact O-NZ 3.18Å; G13-G64 VanDerWaalsContact O-CA 3.22Å; G13-G64 WeakPolarHBondContact O-CA 3.5Å; G13-V85 WeakPolarHBondContact CA-O 3.45Å; G13-W100 WeakPolarHBondContact O-CZ2 3.34Å
14D95.3Very high96Very high19 Ų1912.4 Ų12.410%0.1028%0.076CC..  trans-60.7164.5-171.7-82.110.5000114.3V17 K19 T93 H96 W100D14-V17 HydrophobicContact CB-CG1 3.75Å; D14-V17 WeakPolarHBondContact O-CG2 3.48Å; D14-K19 PolarHBondContact O-NZ 3.14Å; D14-T93 HydrophobicContact CB-CG2 3.89Å; D14-H96 IonicContact OD1-ND1 2.7Å; D14-H96 IonicContact OD2-CE1 3.54Å; D14-H96 IonicContact OD2-CG 3.48Å; D14-H96 IonicContact OD2-ND1 3.68Å; D14-H96 PolarHBondContact OD2-ND1 3Å; D14-W100 PolarHBondContact OD1-NE1 3.06Å
15T93.8Very high96.2Very high40 Ų4012.3 Ų12.325%0.2457%0.073CC..THydrogen-bonded Turntrans-62.5140.5171.3-60.50000110.3V17 L37 G64 Q65 R90T15-V17 VanDerWaalsContact C-N 3.25Å; T15-V17 PolarHBondContact O-N 2.78Å; T15-L37 HydrophobicContact CG2-CD2 3.4Å; T15-G64 PolarHBondContact N-O 2.88Å; T15-G64 VanDerWaalsContact N-O 3.11Å; T15-G64 PolarHBondContact OG1-O 2.64Å; T15-Q65 HydrophobicContact CG2-CG 4.38Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.4Å; T15-Q65 PolarHBondContact OG1-N 2.77Å; T15-Q65 VanDerWaalsContact OG1-N 3.13Å; T15-R90 PolarHBondContact O-NH2 3.02Å
16G94Very high96.4Very high17 Ų1711.7 Ų11.718%0.1757%0.07CC..THydrogen-bonded Turntrans75.92.2175.100000115.7G18 R90 K120G16-G18 PolarHBondContact O-N 3.46Å; G16-R90 PolarHBondContact O-NH2 3.06Å; G16-K120 WeakPolarHBondContact O-CE 3.24Å; G16-K120 PolarHBondContact O-NZ 2.81Å
17V96.8Very high96.4Very high0 Ų012.9 Ų12.90%08%0.078CC..SBendtrans-72.4-15.2175.7-55.90000113.2D14 T15 K19 V85 D87 T93 N119D14-V17 HydrophobicContact CB-CG1 3.75Å; D14-V17 WeakPolarHBondContact O-CG2 3.48Å; T15-V17 VanDerWaalsContact C-N 3.25Å; T15-V17 PolarHBondContact O-N 2.78Å; V17-K19 HydrophobicContact CG2-CD 4.26Å; V17-K19 HydrophobicContact CG2-CG 3.56Å; V17-V85 HydrophobicContact CB-CG1 4.23Å; V17-V85 HydrophobicContact CG2-CB 3.87Å; V17-V85 HydrophobicContact CG2-CG1 3.79Å; V17-D87 HydrophobicContact CB-CB 4.26Å; V17-D87 HydrophobicContact CG1-CB 4.11Å; V17-T93 HydrophobicContact CG1-CG2 3.8Å; V17-N119 PolarHBondContact O-ND2 2.72Å
18G96.5Very high96.3Very high7 Ų716.4 Ų16.47%0.07210%0.097CC..SBendtrans100.525.5174.800000115.6G16 C21 L22G16-G18 PolarHBondContact O-N 3.46Å; G18-C21 PolarHBondContact O-N 2.85Å; G18-L22 WeakPolarHBondContact O-CG 3.39Å; G18-L22 PolarHBondContact O-N 3.19Å
19K96.7Very high96.3Very high9 Ų919.7 Ų19.74%0.03911%0.111CC..Hα-helixtrans-55-53.1177.8-56.8-170.2-60.4-74.60113.2I11 I12 G13 D14 V17 C21 L22 L23 D61 T62 G64 V85I11-K19 HydrophobicContact CB-CB 4.38Å; I11-K19 HydrophobicContact CG2-CB 3.62Å; I11-K19 HydrophobicContact CG2-CD 3.92Å; I11-K19 HydrophobicContact CG2-CG 3.74Å; I12-K19 VanDerWaalsContact C-CD 3.46Å; G13-K19 WeakPolarHBondContact O-CE 3.46Å; G13-K19 PolarHBondContact O-NZ 3.18Å; D14-K19 PolarHBondContact O-NZ 3.14Å; V17-K19 HydrophobicContact CG2-CD 4.26Å; V17-K19 HydrophobicContact CG2-CG 3.56Å; K19-C21 VanDerWaalsContact C-N 3.33Å; K19-C21 PolarHBondContact O-N 3Å; K19-L22 WeakPolarHBondContact O-CB 3.48Å; K19-L22 PolarHBondContact O-N 2.89Å; K19-L22 VanDerWaalsContact O-N 3.16Å; K19-L23 PolarHBondContact O-N 2.83Å; K19-D61 WeakPolarHBondContact CB-OD1 3.41Å; K19-T62 WeakPolarHBondContact CE-O 3.19Å; K19-G64 VanDerWaalsContact NZ-CA 3.35Å; K19-V85 HydrophobicContact CG-CB 4.21Å; K19-V85 HydrophobicContact CG-CG2 4.25Å
20S95.6Very high96.1Very high26 Ų2626.7 Ų26.718%0.18214%0.138CC..Hα-helixtrans-63.2-38.4177.7-37.80000112L22 L23 L24 T38 D61S20-L22 PolarHBondContact O-N 2.9Å; S20-L23 PolarHBondContact O-N 2.61Å; S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 PolarHBondContact O-N 3.01Å; S20-T38 PolarHBondContact OG-OG1 2.85Å; S20-D61 VanDerWaalsContact CA-OD2 3.22Å; S20-D61 WeakPolarHBondContact CA-OD2 3.31Å; S20-D61 WeakPolarHBondContact CB-OD2 3.36Å; S20-D61 PolarHBondContact N-OD2 3.12Å; S20-D61 PolarHBondContact OG-OD2 3.11Å
21C96.7Very high95.8Very high21 Ų2130.6 Ų30.614%0.14216%0.155CC..Hα-helixtrans-64.4-38.4175.1-56.50000112.1G18 K19 Q25 F31 A150G18-C21 PolarHBondContact O-N 2.85Å; K19-C21 VanDerWaalsContact C-N 3.33Å; K19-C21 PolarHBondContact O-N 3Å; C21-Q25 WeakPolarHBondContact O-CB 3.39Å; C21-Q25 PolarHBondContact O-N 3.5Å; C21-F31 HydrophobicContact CB-CD2 4.36Å; C21-F31 HydrophobicContact CB-CE2 4.26Å; C21-A150 HydrophobicContact CB-CB 3.64Å
22L97.9Very high95.4Very high1 Ų134.6 Ų34.61%0.00517%0.174CC..Hα-helixtrans-65.6-44.6174.5-73.6169000111G18 K19 S20 Q25 F26 V85 I117 N119 A150 V156G18-L22 WeakPolarHBondContact O-CG 3.39Å; G18-L22 PolarHBondContact O-N 3.19Å; K19-L22 WeakPolarHBondContact O-CB 3.48Å; K19-L22 PolarHBondContact O-N 2.89Å; K19-L22 VanDerWaalsContact O-N 3.16Å; S20-L22 PolarHBondContact O-N 2.9Å; L22-Q25 PolarHBondContact O-N 2.9Å; L22-F26 WeakPolarHBondContact O-CB 3.48Å; L22-F26 PolarHBondContact O-N 2.95Å; L22-V85 HydrophobicContact CD1-CG1 3.8Å; L22-V85 HydrophobicContact CD1-CG2 4.04Å; L22-I117 HydrophobicContact CD1-CD1 4.5Å; L22-I117 HydrophobicContact CD1-CG2 4.17Å; L22-N119 HydrophobicContact CD1-CB 4.33Å; L22-A150 HydrophobicContact CD2-CB 3.98Å; L22-A150 HydrophobicContact CG-CB 4.22Å; L22-V156 HydrophobicContact CD2-CG1 4.38Å; L22-V156 HydrophobicContact CD2-CG2 3.85Å
23L97.2Very high94.9Very high8 Ų839.7 Ų39.74%0.04221%0.206CC..Hα-helixtrans-58.5-52.3175.5178.658.2000111.1I11 K19 S20 Q25 F26 T27 I59 D61I11-L23 HydrophobicContact CD1-CB 3.93Å; K19-L23 PolarHBondContact O-N 2.83Å; S20-L23 PolarHBondContact O-N 2.61Å; L23-Q25 PolarHBondContact O-N 3.27Å; L23-F26 PolarHBondContact O-N 3.36Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L23-T27 HydrophobicContact CD1-CG2 3.84Å; L23-T27 HydrophobicContact CG-CG2 4.49Å; L23-T27 WeakPolarHBondContact O-CG2 3.39Å; L23-T27 PolarHBondContact O-N 3.32Å; L23-T27 PolarHBondContact O-OG1 3.06Å; L23-I59 HydrophobicContact CD1-CB 3.82Å; L23-I59 HydrophobicContact CD1-CD1 3.84Å; L23-I59 HydrophobicContact CD1-CG1 4.46Å; L23-I59 HydrophobicContact CD1-CG2 3.71Å; L23-D61 HydrophobicContact CD2-CB 3.64Å
24L95.9Very high94.2Very high33 Ų3344 Ų4417%0.17323%0.233CC..Hα-helixtrans-61.4-42.4-179.8-176.567.7000112.1S20 F26 T27 D28 K29 R30 Q32S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 PolarHBondContact O-N 3.01Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 2.93Å; L24-T27 PolarHBondContact O-N 3.02Å; L24-D28 HydrophobicContact CD1-CB 3.93Å; L24-D28 WeakPolarHBondContact O-CA 3.45Å; L24-D28 WeakPolarHBondContact O-CB 3.41Å; L24-D28 PolarHBondContact O-N 3.34Å; L24-K29 PolarHBondContact O-N 3.01Å; L24-R30 HydrophobicContact CD2-CB 4.3Å; L24-R30 HydrophobicContact CG-CB 4.21Å; L24-Q32 HydrophobicContact CD2-CB 3.89Å
25Q97.5Very high93.2Very high15 Ų1547.5 Ų47.57%0.0725%0.248CC..Hα-helixtrans-66-34.8177.4-17565.9-73.700111C21 L22 L23 K29 R30 A150 A153 V156C21-Q25 WeakPolarHBondContact O-CB 3.39Å; C21-Q25 PolarHBondContact O-N 3.5Å; L22-Q25 PolarHBondContact O-N 2.9Å; L23-Q25 PolarHBondContact O-N 3.27Å; Q25-K29 WeakPolarHBondContact O-CA 3.43Å; Q25-K29 WeakPolarHBondContact O-CD 3.45Å; Q25-K29 PolarHBondContact O-N 3Å; Q25-R30 VanDerWaalsContact CA-O 3.3Å; Q25-R30 WeakPolarHBondContact CA-O 3.36Å; Q25-R30 PolarHBondContact N-O 2.85Å; Q25-R30 VanDerWaalsContact OE1-N 3.11Å; Q25-A150 PolarHBondContact NE2-O 3.28Å; Q25-A153 HydrophobicContact CG-CB 4.01Å; Q25-V156 HydrophobicContact CB-CG1 4.1Å; Q25-V156 HydrophobicContact CG-CB 4.25Å; Q25-V156 HydrophobicContact CG-CG1 3.99Å; Q25-V156 HydrophobicContact CG-CG2 4.07Å
26F97.8Very high92.6Very high0 Ų050.6 Ų50.60%026%0.263CS..Hα-helixtrans-72.6-42.8175.8179-110.3000113.2L22 L23 L24 R46 I48 L57 I59 V156 F160L22-F26 WeakPolarHBondContact O-CB 3.48Å; L22-F26 PolarHBondContact O-N 2.95Å; L23-F26 PolarHBondContact O-N 3.36Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 2.93Å; F26-R46 HydrophobicContact CD1-CB 4.34Å; F26-R46 VanDerWaalsContact CD2-NH1 3.31Å; F26-R46 HydrophobicContact CE1-CB 3.65Å; F26-R46 HydrophobicContact CE1-CG 4.15Å; F26-R46 HydrophobicContact CZ-CB 4.22Å; F26-R46 HydrophobicContact CZ-CG 4.31Å; F26-R46 WeakPolarHBondContact O-CD 3.39Å; F26-R46 PolarHBondContact O-NE 3.49Å; F26-R46 PolarHBondContact O-NH1 3.37Å; F26-I48 HydrophobicContact CZ-CG2 4Å; F26-L57 HydrophobicContact CE1-CD1 4.07Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; F26-I59 HydrophobicContact CD1-CD1 3.77Å; F26-I59 HydrophobicContact CE1-CD1 3.76Å; F26-V156 HydrophobicContact CB-CG1 4.06Å; F26-F160 HydrophobicContact CB-CD2 3.8Å; F26-F160 HydrophobicContact CB-CE2 3.57Å; F26-F160 HydrophobicContact CB-CG 4.4Å; F26-F160 HydrophobicContact CB-CZ 4.01Å; F26-F160 HydrophobicContact CD1-CB 4.38Å; F26-F160 AromaticContact CD1-CD1 3.82Å; F26-F160 HydrophobicContact CD1-CD1 3.82Å; F26-F160 HydrophobicContact CD1-CD2 4.12Å; F26-F160 HydrophobicContact CD1-CE1 4.07Å; F26-F160 HydrophobicContact CD1-CE2 4.35Å; F26-F160 AromaticContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CZ 4.32Å; F26-F160 HydrophobicContact CD2-CB 3.79Å; F26-F160 AromaticContact CD2-CD2 3.6Å; F26-F160 HydrophobicContact CD2-CD2 3.6Å; F26-F160 HydrophobicContact CD2-CE2 4.29Å; F26-F160 AromaticContact CD2-CG 3.73Å; F26-F160 HydrophobicContact CD2-CG 3.73Å; F26-F160 HydrophobicContact CE1-CB 4.06Å; F26-F160 AromaticContact CE1-CD1 3.93Å; F26-F160 HydrophobicContact CE1-CD1 3.93Å; F26-F160 AromaticContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE2-CB 3.45Å; F26-F160 VanDerWaalsContact CE2-CB 3.45Å; F26-F160 HydrophobicContact CE2-CD2 4.2Å; F26-F160 AromaticContact CE2-CG 3.89Å; F26-F160 HydrophobicContact CE2-CG 3.89Å; F26-F160 HydrophobicContact CG-CB 4.25Å; F26-F160 HydrophobicContact CG-CD1 4.13Å; F26-F160 AromaticContact CG-CD2 3.56Å; F26-F160 HydrophobicContact CG-CD2 3.56Å; F26-F160 HydrophobicContact CG-CE1 4.36Å; F26-F160 AromaticContact CG-CE2 3.83Å; F26-F160 HydrophobicContact CG-CE2 3.83Å; F26-F160 AromaticContact CG-CG 3.72Å; F26-F160 HydrophobicContact CG-CG 3.72Å; F26-F160 HydrophobicContact CG-CZ 4.22Å; F26-F160 HydrophobicContact CZ-CB 3.6Å; F26-F160 HydrophobicContact CZ-CD1 4.36Å; F26-F160 AromaticContact CZ-CG 4Å; F26-F160 HydrophobicContact CZ-CG 4Å
27T96.1Very high92.2Very high35 Ų3554.1 Ų54.122%0.21528%0.278CS..Hα-helixtrans-81.6-42.6-176.161.20000112.7L23 L24L23-T27 HydrophobicContact CD1-CG2 3.84Å; L23-T27 HydrophobicContact CG-CG2 4.49Å; L23-T27 WeakPolarHBondContact O-CG2 3.39Å; L23-T27 PolarHBondContact O-N 3.32Å; L23-T27 PolarHBondContact O-OG1 3.06Å; L24-T27 PolarHBondContact O-N 3.02Å
28D94.7Very high91.3Very high74 Ų7454.8 Ų54.840%0.39628%0.282SS..Hα-helixtrans-118-4.7-164.7-64.916.4000113.1L24 R30L24-D28 HydrophobicContact CD1-CB 3.93Å; L24-D28 WeakPolarHBondContact O-CA 3.45Å; L24-D28 WeakPolarHBondContact O-CB 3.41Å; L24-D28 PolarHBondContact O-N 3.34Å; D28-R30 HydrophobicContact CB-CB 4.43Å; D28-R30 HydrophobicContact CB-CG 4.35Å; D28-R30 PolarHBondContact O-N 2.82Å; D28-R30 IonicContact OD2-CZ 2.91Å; D28-R30 IonicContact OD2-NE 3.11Å; D28-R30 IonicContact OD2-NH2 3.65Å; D28-R30 PolarHBondContact OD2-NH2 3.26Å
29K95.6Very high90.4Very high105 Ų10561 Ų6146%0.45731%0.312SS..SBendtrans55.738.2-174.7-53.9-60.6-174.4179.70112.5L24 Q25 E157L24-K29 PolarHBondContact O-N 3.01Å; Q25-K29 WeakPolarHBondContact O-CA 3.43Å; Q25-K29 WeakPolarHBondContact O-CD 3.45Å; Q25-K29 PolarHBondContact O-N 3Å; K29-E157 IonicContact NZ-OE1 2.74Å; K29-E157 IonicContact NZ-OE2 3.79Å; K29-E157 PolarHBondContact NZ-OE2 2.83Å
30R93.6Very high89.4Confident148 Ų14861.2 Ų61.256%0.55832%0.316SS*.  trans-125.6152.1-179.9-68-174-64.6161.7-0.3111.5L24 Q25 D28L24-R30 HydrophobicContact CD2-CB 4.3Å; L24-R30 HydrophobicContact CG-CB 4.21Å; Q25-R30 VanDerWaalsContact CA-O 3.3Å; Q25-R30 WeakPolarHBondContact CA-O 3.36Å; Q25-R30 PolarHBondContact N-O 2.85Å; Q25-R30 VanDerWaalsContact OE1-N 3.11Å; D28-R30 HydrophobicContact CB-CB 4.43Å; D28-R30 HydrophobicContact CB-CG 4.35Å; D28-R30 PolarHBondContact O-N 2.82Å; D28-R30 IonicContact OD2-CZ 2.91Å; D28-R30 IonicContact OD2-NE 3.11Å; D28-R30 IonicContact OD2-NH2 3.65Å; D28-R30 PolarHBondContact OD2-NH2 3.26Å
31F91.2Very high88.9Confident82 Ų8261.6 Ų61.636%0.3632%0.317SS..  trans-118.9129.2172176.9-108000110.2C21 P33 A150 K151C21-F31 HydrophobicContact CB-CD2 4.36Å; C21-F31 HydrophobicContact CB-CE2 4.26Å; F31-P33 HydrophobicContact CD1-CB 4.48Å; F31-P33 HydrophobicContact CE1-CB 3.88Å; F31-A150 HydrophobicContact CD2-CB 4.27Å; F31-A150 WeakPolarHBondContact CD2-O 3.32Å; F31-A150 HydrophobicContact CE2-CB 4.35Å; F31-K151 HydrophobicContact CD1-CB 4.44Å; F31-K151 HydrophobicContact CD1-CG 4.1Å; F31-K151 HydrophobicContact CD2-CB 4.2Å; F31-K151 HydrophobicContact CE1-CB 4.23Å; F31-K151 HydrophobicContact CE1-CG 3.89Å; F31-K151 HydrophobicContact CE2-CB 3.97Å; F31-K151 HydrophobicContact CG-CB 4.42Å; F31-K151 HydrophobicContact CZ-CB 3.98Å; F31-K151 HydrophobicContact CZ-CG 4.13Å
32Q88.8Confident88.6Confident85 Ų8565.3 Ų65.340%0.39733%0.333SS..  trans-104.1112.4174.4-173.4171.6-7.700109L24 D36L24-Q32 HydrophobicContact CD2-CB 3.89Å; Q32-D36 PolarHBondContact NE2-OD2 2.89Å
33P84.4Confident88.3Confident107 Ų10770.1 Ų70.170%0.69535%0.354SS*.  trans-77.1-24.4-176.829.2-34.3000113.1F31F31-P33 HydrophobicContact CD1-CB 4.48Å; F31-P33 HydrophobicContact CE1-CB 3.88Å
34V82.5Confident88.2Confident93 Ų9370.2 Ų70.256%0.56436%0.357SS*.SBendtrans-82.1122.7177.8-177.70000108.4D36V34-D36 PolarHBondContact O-N 3.47Å
35H74Confident88.2Confident92 Ų9270.7 Ų70.743%0.42637%0.365SS..  trans-85.592.9178.1-173.3-105.7000109.7
36D80.8Confident88.2Confident104 Ų10472.8 Ų72.856%0.55637%0.373SS*.  trans-78.5134.3164.2-64.9-43.5000108.7Q32 V34 T38Q32-D36 PolarHBondContact NE2-OD2 2.89Å; V34-D36 PolarHBondContact O-N 3.47Å; D36-T38 PolarHBondContact O-N 2.81Å
37L85.2Confident88.1Confident92 Ų9275.3 Ų75.348%0.48239%0.385SS..  trans-67.3121.6176.2-72171000109.4T15 I39T15-L37 HydrophobicContact CG2-CD2 3.4Å; L37-I39 PolarHBondContact O-N 3.36Å; L37-I39 VanDerWaalsContact O-N 3.1Å
38T78.4Confident88.2Confident14 Ų1474.1 Ų74.19%0.08638%0.377CS..  trans-63112.7170.3-38.10000109.2S20 D36 E42 A63S20-T38 PolarHBondContact OG-OG1 2.85Å; D36-T38 PolarHBondContact O-N 2.81Å; T38-E42 HydrophobicContact CG2-CG 4.01Å; T38-A63 VanDerWaalsContact O-CB 3.28Å; T38-A63 WeakPolarHBondContact O-CB 3.29Å
39I78Confident88.2Confident138 Ų13874.7 Ų74.771%0.70838%0.384SS*.  trans-95.1116174.1-59.9176000107.7L37 V41 F68L37-I39 PolarHBondContact O-N 3.36Å; L37-I39 VanDerWaalsContact O-N 3.1Å; I39-V41 PolarHBondContact O-N 3.43Å; I39-F68 HydrophobicContact CG2-CZ 4.32Å
40G75.7Confident88.2Confident13 Ų1370 Ų7013%0.13436%0.363CS..SBendtrans77.4-117.5-176.500000112.1A63G40-A63 WeakPolarHBondContact O-CB 3.29Å; G40-A63 PolarHBondContact O-N 2.76Å
41V84.5Confident88.3Confident33 Ų3369.4 Ų69.420%0.237%0.371CS..EExtended strand (participates in β ladder)trans-143.2134.5-175.5-179.80000110.8I39 W60 D61 T62 I71 Y75I39-V41 PolarHBondContact O-N 3.43Å; V41-W60 HydrophobicContact CG1-CB 3.84Å; V41-W60 HydrophobicContact CG1-CD2 4.38Å; V41-W60 HydrophobicContact CG1-CE3 3.63Å; V41-D61 CarbonylContact C-O 3.5Å; V41-D61 WeakPolarHBondContact CA-O 3.15Å; V41-D61 WeakPolarHBondContact CG1-O 3.3Å; V41-T62 HydrophobicContact CG2-CG2 4.2Å; V41-I71 HydrophobicContact CG2-CG2 4Å; V41-Y75 HydrophobicContact CB-CE1 4.41Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.27Å; V41-Y75 HydrophobicContact CG1-CE1 3.99Å; V41-Y75 HydrophobicContact CG1-CE2 4.35Å; V41-Y75 HydrophobicContact CG2-CD2 3.65Å; V41-Y75 HydrophobicContact CG2-CE1 4.41Å; V41-Y75 HydrophobicContact CG2-CE2 3.31Å; V41-Y75 HydrophobicContact CG2-CG 4.33Å
42E90.3Very high88.4Confident99 Ų9968.8 Ų68.846%0.46339%0.388SS..EExtended strand (participates in β ladder)trans-100.6149171.5-72.1-179.3-162.500111T38 W60 D61T38-E42 HydrophobicContact CG2-CG 4.01Å; E42-W60 CarbonylContact O-C 3.58Å; E42-W60 WeakPolarHBondContact O-CA 3.48Å; E42-D61 HydrophobicContact CB-CB 4.22Å; E42-D61 PolarHBondContact N-O 2.84Å; E42-D61 PolarHBondContact O-N 3.32Å
43F92.7Very high88.6Confident103 Ų10367.7 Ų67.745%0.45238%0.382SS..EExtended strand (participates in β ladder)trans-116.7128.6-178174.8-95.9000111A45 Q58 I59 W60F43-A45 HydrophobicContact CE1-CB 3.94Å; F43-A45 HydrophobicContact CZ-CB 3.87Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.88Å; F43-Q58 HydrophobicContact CZ-CB 4.32Å; F43-Q58 HydrophobicContact CZ-CG 3.89Å; F43-I59 WeakPolarHBondContact CA-O 3.39Å; F43-W60 HydrophobicContact CB-CE3 4.39Å; F43-W60 HydrophobicContact CB-CZ3 4.42Å; F43-W60 HydrophobicContact CD2-CD2 4.15Å; F43-W60 HydrophobicContact CD2-CE3 4.17Å; F43-W60 HydrophobicContact CD2-CH2 4.26Å; F43-W60 HydrophobicContact CD2-CZ2 4.16Å; F43-W60 HydrophobicContact CD2-CZ3 4.25Å; F43-W60 HydrophobicContact CE2-CZ2 4.44Å
44G94.8Very high89.2Confident10 Ų1066.1 Ų66.110%0.10337%0.366CS..EExtended strand (participates in β ladder)trans-124.2154.9167.500000111.5I59G44-I59 PolarHBondContact N-O 3.41Å; G44-I59 PolarHBondContact O-N 3.17Å
45A96.3Very high89.8Confident43 Ų4361.7 Ų61.736%0.35534%0.339SS..EExtended strand (participates in β ladder)trans-142.5138.8171.900000111F43 L57F43-A45 HydrophobicContact CE1-CB 3.94Å; F43-A45 HydrophobicContact CZ-CB 3.87Å; A45-L57 WeakPolarHBondContact CA-O 3.46Å; A45-L57 WeakPolarHBondContact CB-O 3.46Å
46R96.3Very high90.9Very high58 Ų5860.3 Ų60.322%0.21933%0.331CS..EExtended strand (participates in β ladder)trans-142.3140.7176.7-167.2168.5177.4-143.8-11.9110.5F26 L57 E157F26-R46 HydrophobicContact CD1-CB 4.34Å; F26-R46 VanDerWaalsContact CD2-NH1 3.31Å; F26-R46 HydrophobicContact CE1-CB 3.65Å; F26-R46 HydrophobicContact CE1-CG 4.15Å; F26-R46 HydrophobicContact CZ-CB 4.22Å; F26-R46 HydrophobicContact CZ-CG 4.31Å; F26-R46 WeakPolarHBondContact O-CD 3.39Å; F26-R46 PolarHBondContact O-NE 3.49Å; F26-R46 PolarHBondContact O-NH1 3.37Å; R46-L57 PolarHBondContact N-O 2.92Å; R46-L57 VanDerWaalsContact N-O 3.12Å; R46-L57 PolarHBondContact O-N 3Å; R46-E157 IonicContact CZ-OE1 2.72Å; R46-E157 VanDerWaalsContact CZ-OE1 3.23Å; R46-E157 IonicContact NH1-OE1 3.48Å; R46-E157 PolarHBondContact NH1-OE1 3.03Å; R46-E157 IonicContact NH2-OE1 3.52Å; R46-E157 PolarHBondContact NH2-OE1 3.28Å
47M96.9Very high91.8Very high53 Ų5355.4 Ų55.426%0.26131%0.305SS..EExtended strand (participates in β ladder)trans-85.2131.9170-67.9-61.6-61.900109.2Y3 Q54 I55 K56Y3-M47 HydrophobicContact CD1-SD 4.49Å; M47-Q54 HydrophobicContact CE-CB 3.73Å; M47-I55 WeakPolarHBondContact CA-O 3.4Å; M47-K56 HydrophobicContact SD-CB 3.56Å; M47-K56 VanDerWaalsContact SD-CB 3.56Å; M47-K56 HydrophobicContact SD-CD 4.27Å; M47-K56 HydrophobicContact SD-CG 3.8Å
48I97Very high92.3Very high11 Ų1153.3 Ų53.36%0.05629%0.293CS..EExtended strand (participates in β ladder)trans-126.9165.9172.664168.2000110F26 I50 I55 L57 I161 A164F26-I48 HydrophobicContact CZ-CG2 4Å; I48-I50 HydrophobicContact CD1-CD1 3.84Å; I48-I50 HydrophobicContact CD1-CG1 4.14Å; I48-I55 HydrophobicContact CG1-CB 4.03Å; I48-I55 HydrophobicContact CG1-CG2 4.47Å; I48-I55 PolarHBondContact N-O 3.22Å; I48-I55 PolarHBondContact O-N 2.68Å; I48-L57 HydrophobicContact CD1-CD1 3.92Å; I48-L57 HydrophobicContact CD1-CD2 4.13Å; I48-L57 HydrophobicContact CD1-CG 4.02Å; I48-L57 HydrophobicContact CG1-CD1 4.48Å; I48-L57 HydrophobicContact CG1-CG 4.24Å; I48-L57 HydrophobicContact CG2-CD1 4.39Å; I48-I161 HydrophobicContact CG2-CG1 4.46Å; I48-A164 HydrophobicContact CD1-CB 3.51Å
49T96.2Very high93.2Very high86 Ų8652.7 Ų52.753%0.52829%0.289SS..EExtended strand (participates in β ladder)trans-118.7125.1176.8-49.60000109.5K53 Q54T49-K53 WeakPolarHBondContact CA-O 3.33Å; T49-Q54 PolarHBondContact OG1-OE1 2.84Å
50I95.7Very high94.1Very high6 Ų649.2 Ų49.23%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-129.8123.5173.5-61.6-176000107.3I48 G52 K53 I55 A164 K165 Y168I48-I50 HydrophobicContact CD1-CD1 3.84Å; I48-I50 HydrophobicContact CD1-CG1 4.14Å; I50-G52 PolarHBondContact O-N 2.96Å; I50-K53 PolarHBondContact N-O 2.71Å; I50-K53 WeakPolarHBondContact O-CA 3.44Å; I50-K53 WeakPolarHBondContact O-CB 3.25Å; I50-K53 PolarHBondContact O-N 2.91Å; I50-I55 HydrophobicContact CB-CD1 3.95Å; I50-I55 HydrophobicContact CD1-CD1 4.03Å; I50-I55 HydrophobicContact CG1-CD1 4.2Å; I50-A164 VanDerWaalsContact CD1-C 3.49Å; I50-A164 HydrophobicContact CD1-CB 3.52Å; I50-K165 HydrophobicContact CD1-CB 4.43Å; I50-K165 HydrophobicContact CD1-CG 3.8Å; I50-K165 HydrophobicContact CG1-CG 4.31Å; I50-K165 HydrophobicContact CG2-CG 4.14Å; I50-Y168 HydrophobicContact CG2-CD1 3.76Å; I50-Y168 HydrophobicContact CG2-CE1 4.3Å; I50-Y168 HydrophobicContact CG2-CG 4.21Å
51D94.2Very high94.9Very high135 Ų13548.6 Ų48.672%0.72226%0.26SS*.THydrogen-bonded Turntrans48.343.7-178.6-58.5-14.6000113.5K53 Y168D51-K53 PolarHBondContact O-N 3.16Å; D51-K53 VanDerWaalsContact O-N 3.14Å; D51-Y168 HydrophobicContact CB-CE1 4.23Å; D51-Y168 WeakPolarHBondContact OD2-CE1 2.99Å
52G93.3Very high95.2Very high69 Ų6947 Ų4771%0.71125%0.251SS*.THydrogen-bonded Turntrans72.9-3.9-177.900000115.2I50I50-G52 PolarHBondContact O-N 2.96Å
53K93.7Very high95Very high63 Ų6342.3 Ų42.327%0.27423%0.229SC..EExtended strand (participates in β ladder)trans-90.4130.7175.8-63.1-172-176.71690110.9A4 Y5 T49 I50 D51 I55 Y168A4-K53 HydrophobicContact CB-CB 4.14Å; A4-K53 HydrophobicContact CB-CD 4.22Å; A4-K53 HydrophobicContact CB-CG 4.46Å; Y5-K53 HydrophobicContact CE2-CD 3.95Å; T49-K53 WeakPolarHBondContact CA-O 3.33Å; I50-K53 PolarHBondContact N-O 2.71Å; I50-K53 WeakPolarHBondContact O-CA 3.44Å; I50-K53 WeakPolarHBondContact O-CB 3.25Å; I50-K53 PolarHBondContact O-N 2.91Å; D51-K53 PolarHBondContact O-N 3.16Å; D51-K53 VanDerWaalsContact O-N 3.14Å; K53-I55 PolarHBondContact O-N 3.24Å; K53-Y168 HydrophobicContact CD-CE2 3.9Å; K53-Y168 WeakPolarHBondContact CD-OH 3.43Å; K53-Y168 WeakPolarHBondContact CE-OH 3.5Å; K53-Y168 PolarHBondContact NZ-OH 2.81Å
54Q96.1Very high94.2Very high74 Ų7437.8 Ų37.835%0.34621%0.212SC..EExtended strand (participates in β ladder)trans-74.3123.3170.6-66-60.589.600109.7Y3 A4 M47 T49Y3-Q54 CarbonylContact C-O 3.44Å; Y3-Q54 WeakPolarHBondContact CA-O 3.2Å; Y3-Q54 WeakPolarHBondContact CB-O 3.18Å; A4-Q54 PolarHBondContact N-O 3.16Å; M47-Q54 HydrophobicContact CE-CB 3.73Å; T49-Q54 PolarHBondContact OG1-OE1 2.84Å
55I96.6Very high93.4Very high0 Ų040.2 Ų40.20%022%0.22CC..EExtended strand (participates in β ladder)trans-120.8131.1178.3-61.7177.2000108.6Y5 F7 M47 I48 I50 K53 L57 Y168Y5-I55 HydrophobicContact CD2-CG1 4.44Å; Y5-I55 WeakPolarHBondContact O-CA 3.26Å; F7-I55 HydrophobicContact CD2-CG2 3.67Å; F7-I55 HydrophobicContact CE2-CD1 3.91Å; F7-I55 HydrophobicContact CE2-CG2 3.77Å; F7-I55 HydrophobicContact CG-CG2 4.07Å; F7-I55 HydrophobicContact CZ-CD1 4.07Å; F7-I55 HydrophobicContact CZ-CG2 4.23Å; M47-I55 WeakPolarHBondContact CA-O 3.4Å; I48-I55 HydrophobicContact CG1-CB 4.03Å; I48-I55 HydrophobicContact CG1-CG2 4.47Å; I48-I55 PolarHBondContact N-O 3.22Å; I48-I55 PolarHBondContact O-N 2.68Å; I50-I55 HydrophobicContact CB-CD1 3.95Å; I50-I55 HydrophobicContact CD1-CD1 4.03Å; I50-I55 HydrophobicContact CG1-CD1 4.2Å; K53-I55 PolarHBondContact O-N 3.24Å; I55-L57 HydrophobicContact CG2-CD2 4.12Å; I55-Y168 HydrophobicContact CD1-CD2 4.27Å
56K97.2Very high92Very high63 Ų6344.3 Ų44.327%0.27423%0.232SC..EExtended strand (participates in β ladder)trans-94115.3174.4-171.1172.7-177.9178.80109.5Y3 Y5 L6 F7 M47Y3-K56 HydrophobicContact CD1-CB 3.88Å; Y3-K56 HydrophobicContact CD1-CD 3.99Å; Y3-K56 HydrophobicContact CD2-CB 4.39Å; Y3-K56 HydrophobicContact CE1-CB 4.32Å; Y3-K56 HydrophobicContact CE1-CD 3.78Å; Y3-K56 HydrophobicContact CG-CB 3.92Å; Y5-K56 PolarHBondContact O-N 3.4Å; L6-K56 CarbonylContact C-O 3.57Å; L6-K56 VanDerWaalsContact CA-O 3.26Å; L6-K56 WeakPolarHBondContact CA-O 3.34Å; L6-K56 HydrophobicContact CB-CB 4.46Å; L6-K56 HydrophobicContact CD1-CD 4.37Å; L6-K56 HydrophobicContact CG-CB 4.47Å; F7-K56 PolarHBondContact N-O 2.87Å; M47-K56 HydrophobicContact SD-CB 3.56Å; M47-K56 VanDerWaalsContact SD-CB 3.56Å; M47-K56 HydrophobicContact SD-CD 4.27Å; M47-K56 HydrophobicContact SD-CG 3.8Å
57L97.9Very high90.8Very high0 Ų046.5 Ų46.50%026%0.256CS..EExtended strand (participates in β ladder)trans-84.6130.1167.9-57.1-171.8000109.1F7 Y9 F26 A45 R46 I48 I55 I59 F160 A164F7-L57 HydrophobicContact CB-CD2 3.94Å; F7-L57 HydrophobicContact CD2-CD2 4.02Å; F7-L57 HydrophobicContact CG-CD2 4.42Å; Y9-L57 HydrophobicContact CE1-CD2 4.03Å; Y9-L57 HydrophobicContact CE2-CD1 4.29Å; F26-L57 HydrophobicContact CE1-CD1 4.07Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; A45-L57 WeakPolarHBondContact CA-O 3.46Å; A45-L57 WeakPolarHBondContact CB-O 3.46Å; R46-L57 PolarHBondContact N-O 2.92Å; R46-L57 VanDerWaalsContact N-O 3.12Å; R46-L57 PolarHBondContact O-N 3Å; I48-L57 HydrophobicContact CD1-CD1 3.92Å; I48-L57 HydrophobicContact CD1-CD2 4.13Å; I48-L57 HydrophobicContact CD1-CG 4.02Å; I48-L57 HydrophobicContact CG1-CD1 4.48Å; I48-L57 HydrophobicContact CG1-CG 4.24Å; I48-L57 HydrophobicContact CG2-CD1 4.39Å; I55-L57 HydrophobicContact CG2-CD2 4.12Å; L57-I59 HydrophobicContact CB-CD1 4.25Å; L57-I59 HydrophobicContact CB-CG1 4.21Å; L57-F160 HydrophobicContact CD1-CB 4.4Å; L57-A164 HydrophobicContact CD2-CB 4.12Å
58Q97.2Very high89.8Confident49 Ų4946.5 Ų46.523%0.22926%0.255CS..EExtended strand (participates in β ladder)trans-112.7114.8167.3-79-164.6-23.600108L6 F7 K8 Y9 F43L6-Q58 HydrophobicContact CD1-CG 4.16Å; L6-Q58 HydrophobicContact CD2-CB 4.44Å; L6-Q58 HydrophobicContact CD2-CG 4.18Å; L6-Q58 HydrophobicContact CG-CG 4.17Å; F7-Q58 PolarHBondContact O-N 2.95Å; K8-Q58 CarbonylContact C-O 3.56Å; K8-Q58 WeakPolarHBondContact CA-O 3.18Å; Y9-Q58 PolarHBondContact N-O 3.47Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.88Å; F43-Q58 HydrophobicContact CZ-CB 4.32Å; F43-Q58 HydrophobicContact CZ-CG 3.89Å
59I97.5Very high88.7Confident0 Ų048.6 Ų48.60%026%0.262CS..EExtended strand (participates in β ladder)trans-117124.8-168.1-54.9153.2000108.6Y9 I11 L23 F26 F43 G44 L57 F160Y9-I59 HydrophobicContact CD2-CG1 4.46Å; Y9-I59 HydrophobicContact CG-CG1 4.42Å; I11-I59 HydrophobicContact CD1-CG2 3.72Å; I11-I59 HydrophobicContact CG1-CG2 3.68Å; L23-I59 HydrophobicContact CD1-CB 3.82Å; L23-I59 HydrophobicContact CD1-CD1 3.84Å; L23-I59 HydrophobicContact CD1-CG1 4.46Å; L23-I59 HydrophobicContact CD1-CG2 3.71Å; F26-I59 HydrophobicContact CD1-CD1 3.77Å; F26-I59 HydrophobicContact CE1-CD1 3.76Å; F43-I59 WeakPolarHBondContact CA-O 3.39Å; G44-I59 PolarHBondContact N-O 3.41Å; G44-I59 PolarHBondContact O-N 3.17Å; L57-I59 HydrophobicContact CB-CD1 4.25Å; L57-I59 HydrophobicContact CB-CG1 4.21Å; I59-F160 HydrophobicContact CD1-CD1 3.79Å; I59-F160 HydrophobicContact CD1-CE1 3.6Å; I59-F160 HydrophobicContact CG1-CD1 4.44Å; I59-F160 HydrophobicContact CG1-CE1 4.19Å; I59-F160 HydrophobicContact CG2-CE1 4.15Å
60W95.3Very high87.7Confident65 Ų6548.8 Ų48.825%0.24627%0.267CS..EExtended strand (participates in β ladder)trans-104.3107.2175.8-59.290.4000108.6Y9 I10 I11 V41 E42 F43 Y75Y9-W60 PolarHBondContact O-N 2.88Å; I10-W60 CarbonylContact C-O 3.5Å; I10-W60 WeakPolarHBondContact CA-O 3.33Å; I10-W60 HydrophobicContact CG2-CB 4.28Å; I11-W60 PolarHBondContact N-O 3.04Å; V41-W60 HydrophobicContact CG1-CB 3.84Å; V41-W60 HydrophobicContact CG1-CD2 4.38Å; V41-W60 HydrophobicContact CG1-CE3 3.63Å; E42-W60 CarbonylContact O-C 3.58Å; E42-W60 WeakPolarHBondContact O-CA 3.48Å; F43-W60 HydrophobicContact CB-CE3 4.39Å; F43-W60 HydrophobicContact CB-CZ3 4.42Å; F43-W60 HydrophobicContact CD2-CD2 4.15Å; F43-W60 HydrophobicContact CD2-CE3 4.17Å; F43-W60 HydrophobicContact CD2-CH2 4.26Å; F43-W60 HydrophobicContact CD2-CZ2 4.16Å; F43-W60 HydrophobicContact CD2-CZ3 4.25Å; F43-W60 HydrophobicContact CE2-CZ2 4.44Å; W60-Y75 HydrophobicContact CB-CD1 4.04Å; W60-Y75 AromaticContact CD2-CD1 3.64Å; W60-Y75 HydrophobicContact CD2-CD1 3.64Å; W60-Y75 AromaticContact CD2-CE1 3.62Å; W60-Y75 HydrophobicContact CD2-CE1 3.62Å; W60-Y75 AromaticContact CE3-CD1 3.77Å; W60-Y75 HydrophobicContact CE3-CD1 3.77Å; W60-Y75 AromaticContact CE3-CE1 3.26Å; W60-Y75 HydrophobicContact CE3-CE1 3.26Å; W60-Y75 AromaticContact CG-CD1 3.8Å; W60-Y75 HydrophobicContact CG-CD1 3.8Å; W60-Y75 HydrophobicContact CG-CE1 4.26Å; W60-Y75 HydrophobicContact CH2-CE1 4.09Å; W60-Y75 HydrophobicContact CZ2-CE1 4.43Å; W60-Y75 HydrophobicContact CZ3-CD1 4.38Å; W60-Y75 AromaticContact CZ3-CE1 3.51Å; W60-Y75 HydrophobicContact CZ3-CE1 3.51Å
61D94.2Very high86.8Confident0 Ų051.4 Ų51.40%028%0.28CS..EExtended strand (participates in β ladder)trans-83.8126.1171.7174.139.5000109.6K19 S20 L23 V41 E42K19-D61 WeakPolarHBondContact CB-OD1 3.41Å; S20-D61 VanDerWaalsContact CA-OD2 3.22Å; S20-D61 WeakPolarHBondContact CA-OD2 3.31Å; S20-D61 WeakPolarHBondContact CB-OD2 3.36Å; S20-D61 PolarHBondContact N-OD2 3.12Å; S20-D61 PolarHBondContact OG-OD2 3.11Å; L23-D61 HydrophobicContact CD2-CB 3.64Å; V41-D61 CarbonylContact C-O 3.5Å; V41-D61 WeakPolarHBondContact CA-O 3.15Å; V41-D61 WeakPolarHBondContact CG1-O 3.3Å; E42-D61 HydrophobicContact CB-CB 4.22Å; E42-D61 PolarHBondContact N-O 2.84Å; E42-D61 PolarHBondContact O-N 3.32Å
62T90.9Very high86.1Confident0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-109.3151.1-169.567.60000111.9I11 K19 V41 G64 T72I11-T62 PolarHBondContact O-N 2.98Å; I11-T62 PolarHBondContact O-OG1 3.13Å; K19-T62 WeakPolarHBondContact CE-O 3.19Å; V41-T62 HydrophobicContact CG2-CG2 4.2Å; T62-G64 PolarHBondContact O-N 2.77Å; T62-T72 HydrophobicContact CG2-CG2 4.06Å
63A85.6Confident85.7Confident0 Ų046.7 Ų46.70%023%0.231CC..  trans-58.1133.917000000111.1T38 G40 F68T38-A63 VanDerWaalsContact O-CB 3.28Å; T38-A63 WeakPolarHBondContact O-CB 3.29Å; G40-A63 WeakPolarHBondContact O-CB 3.29Å; G40-A63 PolarHBondContact O-N 2.76Å; A63-F68 HydrophobicContact CB-CB 3.63Å; A63-F68 HydrophobicContact CB-CD2 3.68Å; A63-F68 HydrophobicContact CB-CG 3.89Å
64G76.1Confident85.3Confident9 Ų947.3 Ų47.39%0.09324%0.243CC..  trans-91.76.617800000114.3G13 T15 K19 T62G13-G64 VanDerWaalsContact O-CA 3.22Å; G13-G64 WeakPolarHBondContact O-CA 3.5Å; T15-G64 PolarHBondContact N-O 2.88Å; T15-G64 VanDerWaalsContact N-O 3.11Å; T15-G64 PolarHBondContact OG1-O 2.64Å; K19-G64 VanDerWaalsContact NZ-CA 3.35Å; T62-G64 PolarHBondContact O-N 2.77Å
65Q77.1Confident85Confident61 Ų6146.5 Ų46.529%0.28524%0.237SC..SBendtrans-90.5143.7179.8-62.6-1742.300109.9T15 S67 F68T15-Q65 HydrophobicContact CG2-CG 4.38Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.4Å; T15-Q65 PolarHBondContact OG1-N 2.77Å; T15-Q65 VanDerWaalsContact OG1-N 3.13Å; Q65-S67 PolarHBondContact O-N 2.79Å; Q65-F68 HydrophobicContact CB-CD2 4Å; Q65-F68 PolarHBondContact O-N 3.35Å
66E67.1Low84.7Confident129 Ų12946.5 Ų46.560%0.60324%0.238SC*.G310 helixtrans-58.9-36.7179.8-59.1-162.8138.300112.8F68 R69E66-F68 PolarHBondContact O-N 2.68Å; E66-R69 WeakPolarHBondContact O-CB 3.26Å; E66-R69 PolarHBondContact O-N 3.03Å; E66-R69 IonicContact OE1-CZ 3.96Å; E66-R69 IonicContact OE1-NH1 3.84Å; E66-R69 IonicContact OE1-NH2 3.6Å; E66-R69 PolarHBondContact OE1-NH2 3.26Å
67S72.1Confident84.3Confident103 Ų10352.7 Ų52.772%0.7226%0.259SS*.G310 helixtrans-58.3-18.9177.5-53.30000113.9Q65Q65-S67 PolarHBondContact O-N 2.79Å
68F74.9Confident83.8Confident54 Ų5453.2 Ų53.224%0.23727%0.265CS..G310 helixtrans-107.87.1178.2-62-62.7000113.7I39 A63 Q65 E66 S70 I71 T72I39-F68 HydrophobicContact CG2-CZ 4.32Å; A63-F68 HydrophobicContact CB-CB 3.63Å; A63-F68 HydrophobicContact CB-CD2 3.68Å; A63-F68 HydrophobicContact CB-CG 3.89Å; Q65-F68 HydrophobicContact CB-CD2 4Å; Q65-F68 PolarHBondContact O-N 3.35Å; E66-F68 PolarHBondContact O-N 2.68Å; F68-S70 PolarHBondContact O-N 3.21Å; F68-S70 VanDerWaalsContact O-N 3.14Å; F68-I71 HydrophobicContact CD1-CD1 3.75Å; F68-I71 HydrophobicContact CE1-CD1 4.47Å; F68-I71 WeakPolarHBondContact O-CB 3.36Å; F68-I71 PolarHBondContact O-N 3.48Å; F68-T72 PolarHBondContact O-N 3.36Å; F68-T72 VanDerWaalsContact O-N 3.09Å; F68-T72 PolarHBondContact O-OG1 2.81Å
69R74Confident83.7Confident55 Ų5551 Ų5121%0.20825%0.254CS..Hα-helixtrans-54.3-35.9180-84.1-176.5-176.117012.2113.3E66 I71 T72 R73E66-R69 WeakPolarHBondContact O-CB 3.26Å; E66-R69 PolarHBondContact O-N 3.03Å; E66-R69 IonicContact OE1-CZ 3.96Å; E66-R69 IonicContact OE1-NH1 3.84Å; E66-R69 IonicContact OE1-NH2 3.6Å; E66-R69 PolarHBondContact OE1-NH2 3.26Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-I71 PolarHBondContact O-N 3.31Å; R69-T72 PolarHBondContact O-N 3.2Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.69Å
70S75.4Confident83.6Confident89 Ų8951 Ų5162%0.62225%0.254SS*.Hα-helixtrans-63.4-38.517757.70000112.5F68 R73F68-S70 PolarHBondContact O-N 3.21Å; F68-S70 VanDerWaalsContact O-N 3.14Å; S70-R73 PolarHBondContact O-N 3.43Å
71I77.4Confident83.7Confident62 Ų6247.9 Ų47.932%0.31824%0.242SC..Hα-helixtrans-65.4-51.1174.8-58.7-177.4000108.7V41 F68 R69 R73 S74 Y75V41-I71 HydrophobicContact CG2-CG2 4Å; F68-I71 HydrophobicContact CD1-CD1 3.75Å; F68-I71 HydrophobicContact CE1-CD1 4.47Å; F68-I71 WeakPolarHBondContact O-CB 3.36Å; F68-I71 PolarHBondContact O-N 3.48Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-I71 PolarHBondContact O-N 3.31Å; I71-R73 PolarHBondContact O-N 3.02Å; I71-S74 PolarHBondContact O-N 3.12Å; I71-S74 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-OG 2.81Å; I71-Y75 HydrophobicContact CG2-CD2 4.49Å; I71-Y75 HydrophobicContact CG2-CE2 3.94Å; I71-Y75 VanDerWaalsContact O-CD2 3.26Å; I71-Y75 WeakPolarHBondContact O-CD2 3.47Å
72T79.7Confident83.9Confident2 Ų247.9 Ų47.91%0.01224%0.242CC..Hα-helixtrans-54.2-40.4178.7-55.50000112I12 T62 F68 R69 S74 Y75 Y76 W100I12-T72 HydrophobicContact CG2-CG2 4.06Å; T62-T72 HydrophobicContact CG2-CG2 4.06Å; F68-T72 PolarHBondContact O-N 3.36Å; F68-T72 VanDerWaalsContact O-N 3.09Å; F68-T72 PolarHBondContact O-OG1 2.81Å; R69-T72 PolarHBondContact O-N 3.2Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 3.45Å; T72-Y75 PolarHBondContact O-N 3.43Å; T72-Y76 HydrophobicContact CG2-CE2 4.28Å; T72-W100 HydrophobicContact CG2-CZ3 4.11Å
73R84Confident84.3Confident103 Ų10347.9 Ų47.939%0.38924%0.242SC..Hα-helixtrans-58.5-34.9180-78.5174.5-178.6177.8-2.8114.2R69 S70 I71 Y75 Y76 D103R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.69Å; S70-R73 PolarHBondContact O-N 3.43Å; I71-R73 PolarHBondContact O-N 3.02Å; R73-Y75 PolarHBondContact O-N 3.01Å; R73-Y76 HydrophobicContact CB-CD2 4.31Å; R73-Y76 HydrophobicContact CG-CD2 4.18Å; R73-Y76 HydrophobicContact CG-CE2 4.08Å; R73-Y76 PolarHBondContact O-N 3.27Å; R73-D103 IonicContact CZ-OD1 3.77Å; R73-D103 IonicContact NE-OD1 3.71Å; R73-D103 PolarHBondContact NE-OD1 3.3Å; R73-D103 IonicContact NE-OD2 3.45Å; R73-D103 IonicContact NH2-OD1 2.76Å; R73-D103 PolarHBondContact NH2-OD1 2.84Å; R73-D103 IonicContact NH2-OD2 2.83Å
74S86.1Confident84.9Confident75 Ų7547.9 Ų47.952%0.52424%0.242SC..Hα-helixtrans-66-24.7177.472.50000113.1I71 T72I71-S74 PolarHBondContact O-N 3.12Å; I71-S74 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-OG 2.81Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 3.45Å
75Y89.4Confident85.9Confident57 Ų5747.5 Ų47.522%0.22424%0.238CC..Hα-helixtrans-85.5-20.5-178.9-70.5-88.2000113.4K8 I10 V41 W60 I71 T72 R73 R77K8-Y75 VanDerWaalsContact CE-O 3.24Å; K8-Y75 WeakPolarHBondContact CE-O 3.37Å; K8-Y75 PolarHBondContact NZ-O 3.4Å; I10-Y75 WeakPolarHBondContact CG2-O 3.43Å; V41-Y75 HydrophobicContact CB-CE1 4.41Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.27Å; V41-Y75 HydrophobicContact CG1-CE1 3.99Å; V41-Y75 HydrophobicContact CG1-CE2 4.35Å; V41-Y75 HydrophobicContact CG2-CD2 3.65Å; V41-Y75 HydrophobicContact CG2-CE1 4.41Å; V41-Y75 HydrophobicContact CG2-CE2 3.31Å; V41-Y75 HydrophobicContact CG2-CG 4.33Å; W60-Y75 HydrophobicContact CB-CD1 4.04Å; W60-Y75 AromaticContact CD2-CD1 3.64Å; W60-Y75 HydrophobicContact CD2-CD1 3.64Å; W60-Y75 AromaticContact CD2-CE1 3.62Å; W60-Y75 HydrophobicContact CD2-CE1 3.62Å; W60-Y75 AromaticContact CE3-CD1 3.77Å; W60-Y75 HydrophobicContact CE3-CD1 3.77Å; W60-Y75 AromaticContact CE3-CE1 3.26Å; W60-Y75 HydrophobicContact CE3-CE1 3.26Å; W60-Y75 AromaticContact CG-CD1 3.8Å; W60-Y75 HydrophobicContact CG-CD1 3.8Å; W60-Y75 HydrophobicContact CG-CE1 4.26Å; W60-Y75 HydrophobicContact CH2-CE1 4.09Å; W60-Y75 HydrophobicContact CZ2-CE1 4.43Å; W60-Y75 HydrophobicContact CZ3-CD1 4.38Å; W60-Y75 AromaticContact CZ3-CE1 3.51Å; W60-Y75 HydrophobicContact CZ3-CE1 3.51Å; I71-Y75 HydrophobicContact CG2-CD2 4.49Å; I71-Y75 HydrophobicContact CG2-CE2 3.94Å; I71-Y75 VanDerWaalsContact O-CD2 3.26Å; I71-Y75 WeakPolarHBondContact O-CD2 3.47Å; T72-Y75 PolarHBondContact O-N 3.43Å; R73-Y75 PolarHBondContact O-N 3.01Å; Y75-R77 PolarHBondContact O-N 3.48Å
76Y90Very high87Confident1 Ų144.6 Ų44.60%0.00423%0.225CC..Hα-helixtrans-57.2-38.8172.2-70.9-53.9000112.4I10 I12 T72 R73 G78 A79 D103 A104 H107I10-Y76 HydrophobicContact CD1-CD1 3.14Å; I10-Y76 HydrophobicContact CD1-CE1 3.41Å; I10-Y76 VanDerWaalsContact CD1-CE1 3.41Å; I10-Y76 HydrophobicContact CD1-CG 4.24Å; I12-Y76 HydrophobicContact CD1-CE1 3.97Å; I12-Y76 HydrophobicContact CG2-CE1 3.85Å; T72-Y76 HydrophobicContact CG2-CE2 4.28Å; R73-Y76 HydrophobicContact CB-CD2 4.31Å; R73-Y76 HydrophobicContact CG-CD2 4.18Å; R73-Y76 HydrophobicContact CG-CE2 4.08Å; R73-Y76 PolarHBondContact O-N 3.27Å; Y76-G78 PolarHBondContact O-N 3.21Å; Y76-A79 WeakPolarHBondContact O-CB 3.43Å; Y76-A79 PolarHBondContact O-N 2.87Å; Y76-D103 HydrophobicContact CE2-CB 4.22Å; Y76-A104 HydrophobicContact CD1-CB 3.97Å; Y76-A104 VanDerWaalsContact CE1-CA 3.47Å; Y76-A104 HydrophobicContact CE1-CB 3.49Å; Y76-A104 VanDerWaalsContact CE1-CB 3.49Å; Y76-H107 CarbonylContact C-O 3.49Å; Y76-H107 WeakPolarHBondContact CB-O 3.3Å; Y76-H107 HydrophobicContact CD2-CB 3.65Å; Y76-H107 HydrophobicContact CG-CB 3.97Å
77R88.1Confident88.5Confident193 Ų19338.5 Ų38.573%0.72820%0.196SC*.THydrogen-bonded Turntrans-61122.5-178.8-173.1178.5177.893.50.3110.3K8 Y75 A79 H107K8-R77 PolarHBondContact NZ-O 3.36Å; Y75-R77 PolarHBondContact O-N 3.48Å; R77-A79 VanDerWaalsContact C-N 3.3Å; R77-A79 PolarHBondContact O-N 3.02Å; R77-H107 PolarHBondContact N-O 3.41Å
78G88.8Confident89.7Confident11 Ų1133.6 Ų33.611%0.11316%0.162CC..THydrogen-bonded Turntrans6925-179.100000113.9K8 Y76 A182 G184K8-G78 WeakPolarHBondContact CB-O 3.34Å; K8-G78 VanDerWaalsContact CD-O 3.28Å; K8-G78 WeakPolarHBondContact CD-O 3.4Å; Y76-G78 PolarHBondContact O-N 3.21Å; G78-A182 WeakPolarHBondContact CA-O 3.3Å; G78-G184 WeakPolarHBondContact O-CA 3.43Å
79A94.3Very high90.9Very high1 Ų132.5 Ų32.51%0.00816%0.16CC..  trans-80.7129.8162.900000109.5I10 Y76 R77 M112I10-A79 HydrophobicContact CD1-CB 4.13Å; I10-A79 HydrophobicContact CG1-CB 4.18Å; I10-A79 HydrophobicContact CG2-CB 3.97Å; Y76-A79 WeakPolarHBondContact O-CB 3.43Å; Y76-A79 PolarHBondContact O-N 2.87Å; R77-A79 VanDerWaalsContact C-N 3.3Å; R77-A79 PolarHBondContact O-N 3.02Å; A79-M112 HydrophobicContact CB-SD 3.7Å
80A96.2Very high92Very high0 Ų033.2 Ų33.20%016%0.162CC..SBendtrans-85.7-31172.600000111.3K8 V113 I167 N183 I185K8-A80 PolarHBondContact O-N 3.36Å; A80-V113 PolarHBondContact O-N 3.18Å; A80-I167 HydrophobicContact CB-CD1 4.03Å; A80-I167 HydrophobicContact CB-CG2 4.31Å; A80-I167 WeakPolarHBondContact O-CD1 3.22Å; A80-N183 WeakPolarHBondContact CA-O 3.32Å; A80-N183 WeakPolarHBondContact CB-O 3.38Å; A80-I185 HydrophobicContact CB-CD1 4.47Å; A80-I185 HydrophobicContact CB-CG1 3.86Å
81G97.5Very high93.1Very high0 Ų031.9 Ų31.90%014%0.144CC..EExtended strand (participates in β ladder)trans-135.3149.7177.700000112.4K8 Y9 I10 V113K8-G81 PolarHBondContact O-N 2.99Å; Y9-G81 VanDerWaalsContact CA-O 3.28Å; Y9-G81 WeakPolarHBondContact CA-O 3.15Å; I10-G81 PolarHBondContact N-O 2.7Å; I10-G81 VanDerWaalsContact N-O 3.13Å; G81-V113 CarbonylContact C-O 3.55Å; G81-V113 WeakPolarHBondContact CA-O 3.33Å
82A97.5Very high94.1Very high0 Ų032.5 Ų32.50%015%0.148CC..EExtended strand (participates in β ladder)trans-131.2137.2169.900000110.7I10 M112 V113 I114 M115I10-A82 HydrophobicContact CD1-CB 4Å; I10-A82 HydrophobicContact CG1-CB 3.6Å; I10-A82 CarbonylContact O-C 3.57Å; I10-A82 WeakPolarHBondContact O-CA 3.3Å; A82-M112 HydrophobicContact CB-CE 3.86Å; A82-M112 HydrophobicContact CB-SD 3.91Å; A82-V113 PolarHBondContact N-O 2.86Å; A82-I114 HydrophobicContact CB-CG1 4.3Å; A82-I114 WeakPolarHBondContact O-CA 3.45Å; A82-M115 PolarHBondContact O-N 2.83Å
83L98.4Very high95Very high0 Ų032.5 Ų32.50%015%0.148CC..EExtended strand (participates in β ladder)trans-99.4111.5166.1-56.3-170.7000107.9I10 I11 I12 V85 M115 I117 F160 T163I10-L83 PolarHBondContact O-N 3.36Å; I11-L83 WeakPolarHBondContact CA-O 3.34Å; I11-L83 HydrophobicContact CD1-CD1 4.48Å; I11-L83 HydrophobicContact CG1-CB 4.39Å; I11-L83 HydrophobicContact CG1-CD1 4.35Å; I11-L83 HydrophobicContact CG2-CB 4.13Å; I12-L83 PolarHBondContact N-O 2.78Å; L83-V85 HydrophobicContact CB-CG2 4.39Å; L83-M115 WeakPolarHBondContact CA-O 3.28Å; L83-M115 HydrophobicContact CD2-CB 3.67Å; L83-M115 HydrophobicContact CD2-CG 4Å; L83-I117 HydrophobicContact CB-CD1 4Å; L83-I117 HydrophobicContact CD1-CD1 3.92Å; L83-I117 HydrophobicContact CD2-CD1 4.14Å; L83-I117 HydrophobicContact CG-CD1 4.24Å; L83-F160 HydrophobicContact CD1-CD1 3.78Å; L83-F160 HydrophobicContact CD1-CD2 4.13Å; L83-F160 HydrophobicContact CD1-CE1 3.37Å; L83-F160 HydrophobicContact CD1-CE2 3.78Å; L83-F160 HydrophobicContact CD1-CG 4.15Å; L83-F160 HydrophobicContact CD1-CZ 3.38Å; L83-T163 HydrophobicContact CD2-CG2 4.37Å
84L98.2Very high95.7Very high0 Ų028.6 Ų28.60%013%0.134CC..EExtended strand (participates in β ladder)trans-97.1110.5177.6174.159.7000108.6I12 L97 W100 L101 I114 M115 L116 I117I12-L84 HydrophobicContact CD1-CB 4.41Å; I12-L84 HydrophobicContact CD1-CD1 3.89Å; I12-L84 HydrophobicContact CG1-CB 4.23Å; I12-L84 HydrophobicContact CG1-CD1 3.81Å; L84-L97 HydrophobicContact CD1-CD2 3.77Å; L84-L97 HydrophobicContact CD2-CD2 3.79Å; L84-L97 HydrophobicContact CG-CD2 3.53Å; L84-W100 HydrophobicContact CD1-CB 3.52Å; L84-W100 HydrophobicContact CD1-CG 4.18Å; L84-L101 HydrophobicContact CD2-CB 4.16Å; L84-I114 HydrophobicContact CB-CG2 4.07Å; L84-M115 PolarHBondContact N-O 2.89Å; L84-L116 HydrophobicContact CD2-CD1 4.19Å; L84-L116 HydrophobicContact CG-CD1 4.09Å; L84-L116 CarbonylContact O-C 3.54Å; L84-L116 WeakPolarHBondContact O-CA 3.33Å; L84-I117 PolarHBondContact O-N 2.62Å
85V98.6Very high96.2Very high1 Ų129.5 Ų29.51%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-112.5131.9-166.3-167.70000111.1I11 I12 G13 V17 K19 L22 L83 I117 N119I11-V85 HydrophobicContact CG2-CG2 3.63Å; I12-V85 PolarHBondContact O-N 3.44Å; G13-V85 WeakPolarHBondContact CA-O 3.45Å; V17-V85 HydrophobicContact CB-CG1 4.23Å; V17-V85 HydrophobicContact CG2-CB 3.87Å; V17-V85 HydrophobicContact CG2-CG1 3.79Å; K19-V85 HydrophobicContact CG-CB 4.21Å; K19-V85 HydrophobicContact CG-CG2 4.25Å; L22-V85 HydrophobicContact CD1-CG1 3.8Å; L22-V85 HydrophobicContact CD1-CG2 4.04Å; L83-V85 HydrophobicContact CB-CG2 4.39Å; V85-I117 WeakPolarHBondContact CA-O 3.32Å; V85-I117 HydrophobicContact CG1-CB 4.33Å; V85-I117 HydrophobicContact CG1-CG2 4.26Å; V85-I117 HydrophobicContact CG2-CB 4.25Å; V85-I117 HydrophobicContact CG2-CD1 4.49Å; V85-N119 HydrophobicContact CG1-CB 3.84Å
86Y98.7Very high96.6Very high0 Ų030 Ų300%014%0.137CC..EExtended strand (participates in β ladder)trans-123.6169.8165.274.9-81.3000110.9I88 F94 L97 L116 I117 G118 N119 V129 F145Y86-I88 HydrophobicContact CE2-CB 4.5Å; Y86-I88 HydrophobicContact CE2-CG2 3.89Å; Y86-F94 HydrophobicContact CD1-CD2 4.23Å; Y86-F94 HydrophobicContact CD2-CB 3.95Å; Y86-F94 AromaticContact CD2-CD2 3.89Å; Y86-F94 HydrophobicContact CD2-CD2 3.89Å; Y86-F94 HydrophobicContact CD2-CG 4.43Å; Y86-F94 HydrophobicContact CE1-CD2 4.08Å; Y86-F94 HydrophobicContact CE1-CE2 4.45Å; Y86-F94 HydrophobicContact CE2-CB 4.43Å; Y86-F94 AromaticContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CG-CB 4.4Å; Y86-F94 HydrophobicContact CG-CD2 4.13Å; Y86-F94 AromaticContact CZ-CD2 3.84Å; Y86-L97 HydrophobicContact CD1-CD1 3.9Å; Y86-L97 HydrophobicContact CD1-CD2 4.31Å; Y86-L97 HydrophobicContact CE1-CD1 4.44Å; Y86-L97 HydrophobicContact CG-CD1 4.26Å; Y86-L116 HydrophobicContact CD1-CD1 3.93Å; Y86-L116 HydrophobicContact CD1-CG 4.47Å; Y86-L116 HydrophobicContact CE1-CD1 4.15Å; Y86-L116 HydrophobicContact CE1-CD2 4.46Å; Y86-L116 HydrophobicContact CE1-CG 4.2Å; Y86-I117 VanDerWaalsContact CD1-O 3.27Å; Y86-I117 WeakPolarHBondContact CD1-O 3.47Å; Y86-I117 PolarHBondContact N-O 2.98Å; Y86-G118 VanDerWaalsContact CZ-CA 3.44Å; Y86-N119 PolarHBondContact O-N 3.32Å; Y86-V129 HydrophobicContact CE2-CB 3.96Å; Y86-V129 HydrophobicContact CE2-CG1 3.79Å; Y86-V129 HydrophobicContact CE2-CG2 4.2Å; Y86-F145 HydrophobicContact CE1-CE2 4.23Å
87D98.5Very high97Very high2 Ų230 Ų301%0.01114%0.137CC..EExtended strand (participates in β ladder)trans-105.3118.8178.3177.6-6.7000109.5V17 T89 R90 T93 K120V17-D87 HydrophobicContact CB-CB 4.26Å; V17-D87 HydrophobicContact CG1-CB 4.11Å; D87-T89 PolarHBondContact O-N 2.95Å; D87-T89 PolarHBondContact OD1-N 3.13Å; D87-T89 PolarHBondContact OD1-OG1 2.74Å; D87-T89 VanDerWaalsContact OD1-OG1 3.08Å; D87-R90 HydrophobicContact CB-CB 4.06Å; D87-R90 PolarHBondContact O-N 3.14Å; D87-R90 IonicContact OD2-CZ 3.09Å; D87-R90 IonicContact OD2-NE 3.72Å; D87-R90 PolarHBondContact OD2-NE 2.9Å; D87-R90 IonicContact OD2-NH2 2.66Å; D87-T93 HydrophobicContact CB-CG2 4.47Å; D87-T93 PolarHBondContact N-OG1 2.93Å; D87-T93 PolarHBondContact O-OG1 3.28Å; D87-K120 WeakPolarHBondContact OD1-CD 2.82Å; D87-K120 VanDerWaalsContact OD2-CE 3.27Å; D87-K120 WeakPolarHBondContact OD2-CE 3.5Å; D87-K120 IonicContact OD2-NZ 3.56Å; D87-K120 PolarHBondContact OD2-NZ 2.87Å
88I98.8Very high97.4Very high0 Ų023.5 Ų23.50%012%0.119CC..THydrogen-bonded Turntrans-63.3-17.2-175.866.6155.3000113.5Y86 R90 N119 K120 R127 D128 V129Y86-I88 HydrophobicContact CE2-CB 4.5Å; Y86-I88 HydrophobicContact CE2-CG2 3.89Å; I88-R90 VanDerWaalsContact C-N 3.35Å; I88-N119 WeakPolarHBondContact CG1-O 3.17Å; I88-N119 PolarHBondContact N-O 3.32Å; I88-N119 VanDerWaalsContact N-O 3.08Å; I88-K120 WeakPolarHBondContact CD1-O 3.43Å; I88-R127 HydrophobicContact CD1-CB 4.46Å; I88-R127 HydrophobicContact CD1-CG 4.46Å; I88-D128 PolarHBondContact O-N 3Å; I88-V129 PolarHBondContact O-N 3.42Å
89T98.6Very high97.6Very high30 Ų3025.6 Ų25.618%0.18413%0.129CC..THydrogen-bonded Turntrans-93.15.4178.482.30000112.8D87 L123 R126D87-T89 PolarHBondContact O-N 2.95Å; D87-T89 PolarHBondContact OD1-N 3.13Å; D87-T89 PolarHBondContact OD1-OG1 2.74Å; D87-T89 VanDerWaalsContact OD1-OG1 3.08Å; T89-L123 HydrophobicContact CG2-CB 3.62Å; T89-L123 HydrophobicContact CG2-CD1 4.05Å; T89-L123 HydrophobicContact CG2-CG 4.49Å; T89-R126 WeakPolarHBondContact CA-O 3.38Å; T89-R126 VanDerWaalsContact CB-O 3.23Å; T89-R126 WeakPolarHBondContact CB-O 3.45Å; T89-R126 HydrophobicContact CG2-CB 3.89Å
90R98.3Very high97.7Very high70 Ų7025.7 Ų25.726%0.26413%0.129SC..  trans-141.194.4-172.5-76.4-157.5-61.2147.2-1.3111.5T15 G16 D87 I88 D92 T93T15-R90 PolarHBondContact O-NH2 3.02Å; G16-R90 PolarHBondContact O-NH2 3.06Å; D87-R90 HydrophobicContact CB-CB 4.06Å; D87-R90 PolarHBondContact O-N 3.14Å; D87-R90 IonicContact OD2-CZ 3.09Å; D87-R90 IonicContact OD2-NE 3.72Å; D87-R90 PolarHBondContact OD2-NE 2.9Å; D87-R90 IonicContact OD2-NH2 2.66Å; I88-R90 VanDerWaalsContact C-N 3.35Å; R90-D92 VanDerWaalsContact C-N 3.29Å; R90-D92 VanDerWaalsContact C-OD1 3.31Å; R90-D92 VanDerWaalsContact CB-OD1 3.3Å; R90-D92 WeakPolarHBondContact CB-OD1 3.48Å; R90-D92 PolarHBondContact O-N 3.1Å; R90-T93 HydrophobicContact CB-CG2 3.94Å; R90-T93 PolarHBondContact O-N 2.98Å; R90-T93 VanDerWaalsContact O-N 3.14Å; R90-T93 PolarHBondContact O-OG1 3.05Å
91R98.4Very high97.6Very high62 Ų6225.9 Ų25.923%0.23413%0.13CC..Hα-helixtrans-56.1-36.4-178.5175.460.663.9162.27.5114.5T93 F94 N95 D128 E133R91-T93 VanDerWaalsContact C-N 3.29Å; R91-T93 PolarHBondContact O-N 3.32Å; R91-F94 WeakPolarHBondContact O-CB 3.45Å; R91-F94 PolarHBondContact O-N 3.44Å; R91-F94 VanDerWaalsContact O-N 3.13Å; R91-N95 VanDerWaalsContact O-CG 3.32Å; R91-N95 PolarHBondContact O-N 2.87Å; R91-N95 PolarHBondContact O-OD1 3.46Å; R91-D128 WeakPolarHBondContact CB-OD2 3.2Å; R91-D128 PolarHBondContact N-OD2 2.9Å; R91-D128 PolarHBondContact NE-O 3.28Å; R91-D128 PolarHBondContact NH2-O 3.23Å; R91-E133 IonicContact CZ-OE1 2.68Å; R91-E133 VanDerWaalsContact CZ-OE1 3.3Å; R91-E133 IonicContact CZ-OE2 3.44Å; R91-E133 VanDerWaalsContact NH1-CD 3.32Å; R91-E133 IonicContact NH1-OE1 3.92Å; R91-E133 PolarHBondContact NH1-OE1 3.28Å; R91-E133 IonicContact NH1-OE2 3.6Å; R91-E133 VanDerWaalsContact NH2-CD 3.28Å; R91-E133 IonicContact NH2-OE1 3.55Å; R91-E133 PolarHBondContact NH2-OE1 2.87Å; R91-E133 VanDerWaalsContact NH2-OE1 3.09Å; R91-E133 IonicContact NH2-OE2 2.73Å; R91-E133 PolarHBondContact NH2-OE2 3.38Å
92D97.9Very high97.5Very high75 Ų7530.8 Ų30.840%0.40115%0.153SC..Hα-helixtrans-53.9-45.5175.657.9-32000111.8R90 F94 N95 H96R90-D92 VanDerWaalsContact C-N 3.29Å; R90-D92 VanDerWaalsContact C-OD1 3.31Å; R90-D92 VanDerWaalsContact CB-OD1 3.3Å; R90-D92 WeakPolarHBondContact CB-OD1 3.48Å; R90-D92 PolarHBondContact O-N 3.1Å; D92-F94 VanDerWaalsContact C-N 3.25Å; D92-F94 PolarHBondContact O-N 2.7Å; D92-N95 PolarHBondContact O-N 3.03Å; D92-N95 VanDerWaalsContact O-N 3.13Å; D92-H96 VanDerWaalsContact O-CG 3.31Å; D92-H96 PolarHBondContact O-N 2.89Å; D92-H96 PolarHBondContact O-ND1 2.8Å
93T98.1Very high97.2Very high2 Ų231.4 Ų31.41%0.01216%0.156CC..Hα-helixtrans-65.7-27.9179.470.60000113.5D14 V17 D87 R90 R91D14-T93 HydrophobicContact CB-CG2 3.89Å; V17-T93 HydrophobicContact CG1-CG2 3.8Å; D87-T93 HydrophobicContact CB-CG2 4.47Å; D87-T93 PolarHBondContact N-OG1 2.93Å; D87-T93 PolarHBondContact O-OG1 3.28Å; R90-T93 HydrophobicContact CB-CG2 3.94Å; R90-T93 PolarHBondContact O-N 2.98Å; R90-T93 VanDerWaalsContact O-N 3.14Å; R90-T93 PolarHBondContact O-OG1 3.05Å; R91-T93 VanDerWaalsContact C-N 3.29Å; R91-T93 PolarHBondContact O-N 3.32Å
94F98.7Very high96.9Very high21 Ų2131.4 Ų31.49%0.09216%0.156CC..Hα-helixtrans-74.8-42.6172.9-179.8-93.2000111.2Y86 R91 D92 H96 L97 V129 E133 F137Y86-F94 HydrophobicContact CD1-CD2 4.23Å; Y86-F94 HydrophobicContact CD2-CB 3.95Å; Y86-F94 AromaticContact CD2-CD2 3.89Å; Y86-F94 HydrophobicContact CD2-CD2 3.89Å; Y86-F94 HydrophobicContact CD2-CG 4.43Å; Y86-F94 HydrophobicContact CE1-CD2 4.08Å; Y86-F94 HydrophobicContact CE1-CE2 4.45Å; Y86-F94 HydrophobicContact CE2-CB 4.43Å; Y86-F94 AromaticContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CG-CB 4.4Å; Y86-F94 HydrophobicContact CG-CD2 4.13Å; Y86-F94 AromaticContact CZ-CD2 3.84Å; R91-F94 WeakPolarHBondContact O-CB 3.45Å; R91-F94 PolarHBondContact O-N 3.44Å; R91-F94 VanDerWaalsContact O-N 3.13Å; D92-F94 VanDerWaalsContact C-N 3.25Å; D92-F94 PolarHBondContact O-N 2.7Å; F94-H96 PolarHBondContact O-N 3.1Å; F94-L97 HydrophobicContact CB-CD1 4.47Å; F94-L97 HydrophobicContact CD2-CD1 3.39Å; F94-L97 HydrophobicContact CE2-CD1 3.69Å; F94-L97 HydrophobicContact CG-CD1 4Å; F94-L97 WeakPolarHBondContact O-CB 3.47Å; F94-L97 WeakPolarHBondContact O-CD1 3.37Å; F94-L97 WeakPolarHBondContact O-CG 3.21Å; F94-L97 PolarHBondContact O-N 2.82Å; F94-V129 HydrophobicContact CB-CG1 4.37Å; F94-V129 HydrophobicContact CB-CG2 3.75Å; F94-V129 HydrophobicContact CD1-CG1 4.37Å; F94-V129 HydrophobicContact CD2-CG1 3.65Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.87Å; F94-V129 HydrophobicContact CG-CG2 4.13Å; F94-V129 HydrophobicContact CZ-CG1 4.44Å; F94-E133 HydrophobicContact CE1-CB 4.48Å; F94-E133 HydrophobicContact CZ-CB 4.03Å; F94-F137 HydrophobicContact CE2-CB 4.36Å; F94-F137 HydrophobicContact CZ-CB 4.02Å; F94-F137 HydrophobicContact CZ-CD2 4.46Å; F94-F137 HydrophobicContact CZ-CG 4.46Å
95N98.1Very high96.7Very high93 Ų9337.2 Ų37.250%0.49718%0.178SC..Hα-helixtrans-62.7-30.2178.1-65.6-14.9000112.3R91 D92 L97R91-N95 VanDerWaalsContact O-CG 3.32Å; R91-N95 PolarHBondContact O-N 2.87Å; R91-N95 PolarHBondContact O-OD1 3.46Å; D92-N95 PolarHBondContact O-N 3.03Å; D92-N95 VanDerWaalsContact O-N 3.13Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 2.92Å
96H97.1Very high96.4Very high69 Ų6943.6 Ų43.632%0.31921%0.208SC..THydrogen-bonded Turntrans-76.8-7.2176.2-60.3150.6000114.5D14 D92 F94 T98 T99 W100D14-H96 IonicContact OD1-ND1 2.7Å; D14-H96 IonicContact OD2-CE1 3.54Å; D14-H96 IonicContact OD2-CG 3.48Å; D14-H96 IonicContact OD2-ND1 3.68Å; D14-H96 PolarHBondContact OD2-ND1 3Å; D92-H96 VanDerWaalsContact O-CG 3.31Å; D92-H96 PolarHBondContact O-N 2.89Å; D92-H96 PolarHBondContact O-ND1 2.8Å; F94-H96 PolarHBondContact O-N 3.1Å; H96-T98 PolarHBondContact O-N 2.94Å; H96-T99 PolarHBondContact O-N 2.98Å; H96-T99 VanDerWaalsContact O-N 3.16Å; H96-W100 VanDerWaalsContact O-CD1 3.25Å; H96-W100 PolarHBondContact O-N 3.28Å; H96-W100 VanDerWaalsContact O-N 3.14Å
97L97.6Very high96Very high0 Ų046.9 Ų46.90%022%0.223CC..Hα-helixtrans-56.6-37.9180-72.8172000112.5L84 Y86 F94 N95 T99 W100 L101 L116 F137L84-L97 HydrophobicContact CD1-CD2 3.77Å; L84-L97 HydrophobicContact CD2-CD2 3.79Å; L84-L97 HydrophobicContact CG-CD2 3.53Å; Y86-L97 HydrophobicContact CD1-CD1 3.9Å; Y86-L97 HydrophobicContact CD1-CD2 4.31Å; Y86-L97 HydrophobicContact CE1-CD1 4.44Å; Y86-L97 HydrophobicContact CG-CD1 4.26Å; F94-L97 HydrophobicContact CB-CD1 4.47Å; F94-L97 HydrophobicContact CD2-CD1 3.39Å; F94-L97 HydrophobicContact CE2-CD1 3.69Å; F94-L97 HydrophobicContact CG-CD1 4Å; F94-L97 WeakPolarHBondContact O-CB 3.47Å; F94-L97 WeakPolarHBondContact O-CD1 3.37Å; F94-L97 WeakPolarHBondContact O-CG 3.21Å; F94-L97 PolarHBondContact O-N 2.82Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 2.92Å; L97-T99 PolarHBondContact O-N 2.79Å; L97-W100 PolarHBondContact O-N 3.01Å; L97-L101 WeakPolarHBondContact O-CB 3.35Å; L97-L101 PolarHBondContact O-N 3.37Å; L97-L116 HydrophobicContact CD1-CD1 3.69Å; L97-L116 HydrophobicContact CD2-CD1 3.59Å; L97-L116 HydrophobicContact CG-CD1 4.29Å; L97-F137 HydrophobicContact CB-CE1 4Å; L97-F137 HydrophobicContact CB-CE2 4.01Å; L97-F137 HydrophobicContact CB-CZ 3.57Å; L97-F137 HydrophobicContact CD1-CD1 4.39Å; L97-F137 HydrophobicContact CD1-CE1 4.35Å
98T96.5Very high95.5Very high57 Ų5747.9 Ų47.935%0.3523%0.231SC..Hα-helixtrans-58.8-48.5178.2-48.80000110.9H96 W100 L101 E102H96-T98 PolarHBondContact O-N 2.94Å; T98-W100 PolarHBondContact O-N 2.93Å; T98-L101 PolarHBondContact O-N 3.34Å; T98-E102 WeakPolarHBondContact O-CB 3.32Å; T98-E102 VanDerWaalsContact O-CG 3.32Å; T98-E102 WeakPolarHBondContact O-CG 3.35Å; T98-E102 PolarHBondContact O-N 3.19Å
99T94.5Very high95Very high54 Ų5449.8 Ų49.833%0.33124%0.241SC..Hα-helixtrans-61-45177.8-51.20000111.7H96 L97 D103H96-T99 PolarHBondContact O-N 2.98Å; H96-T99 VanDerWaalsContact O-N 3.16Å; L97-T99 PolarHBondContact O-N 2.79Å; T99-D103 WeakPolarHBondContact O-CB 3.12Å; T99-D103 PolarHBondContact O-N 3.27Å
100W94.8Very high94.4Very high3 Ų353.7 Ų53.71%0.01127%0.269CS..Hα-helixtrans-63.9-41.5177.6-78.3109.7000112.6I12 G13 D14 T72 L84 H96 L97 T98 A104I12-W100 HydrophobicContact CB-CE3 4.01Å; I12-W100 HydrophobicContact CB-CZ3 4.26Å; G13-W100 WeakPolarHBondContact O-CZ2 3.34Å; D14-W100 PolarHBondContact OD1-NE1 3.06Å; T72-W100 HydrophobicContact CG2-CZ3 4.11Å; L84-W100 HydrophobicContact CD1-CB 3.52Å; L84-W100 HydrophobicContact CD1-CG 4.18Å; H96-W100 VanDerWaalsContact O-CD1 3.25Å; H96-W100 PolarHBondContact O-N 3.28Å; H96-W100 VanDerWaalsContact O-N 3.14Å; L97-W100 PolarHBondContact O-N 3.01Å; T98-W100 PolarHBondContact O-N 2.93Å; W100-A104 WeakPolarHBondContact O-CB 3.43Å; W100-A104 PolarHBondContact O-N 2.58Å
101L95.6Very high94.1Very high4 Ų452.6 Ų52.62%0.02127%0.269CS..Hα-helixtrans-68.3-42.5179.8179.763.2000111.7L84 L97 T98 A104 R105 I114 F137 H141 L143L84-L101 HydrophobicContact CD2-CB 4.16Å; L97-L101 WeakPolarHBondContact O-CB 3.35Å; L97-L101 PolarHBondContact O-N 3.37Å; T98-L101 PolarHBondContact O-N 3.34Å; L101-A104 PolarHBondContact O-N 2.9Å; L101-R105 HydrophobicContact CD1-CG 4.33Å; L101-R105 WeakPolarHBondContact O-CB 3.28Å; L101-R105 WeakPolarHBondContact O-CG 3.23Å; L101-R105 PolarHBondContact O-N 2.98Å; L101-I114 HydrophobicContact CD1-CD1 3.6Å; L101-F137 HydrophobicContact CD2-CE1 4.17Å; L101-F137 HydrophobicContact CD2-CZ 4.18Å; L101-H141 HydrophobicContact CD2-CB 3.66Å; L101-H141 WeakPolarHBondContact CD2-CD2 3.22Å; L101-H141 VanDerWaalsContact CD2-CG 3.5Å; L101-L143 HydrophobicContact CD1-CD1 4.38Å; L101-L143 HydrophobicContact CD1-CD2 3.94Å; L101-L143 HydrophobicContact CD2-CD1 4.28Å
102E93.9Very high93.9Very high104 Ų10450.2 Ų50.249%0.48626%0.26SS..Hα-helixtrans-59.9-50.2174.3-76177.4-179.300111T98 A104 R105 Q106T98-E102 WeakPolarHBondContact O-CB 3.32Å; T98-E102 VanDerWaalsContact O-CG 3.32Å; T98-E102 WeakPolarHBondContact O-CG 3.35Å; T98-E102 PolarHBondContact O-N 3.19Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.47Å; E102-R105 PolarHBondContact O-N 3.31Å; E102-Q106 WeakPolarHBondContact O-CB 3.03Å; E102-Q106 VanDerWaalsContact O-CG 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.19Å; E102-Q106 PolarHBondContact O-N 2.95Å
103D91.8Very high93.9Very high12 Ų1246.9 Ų46.96%0.06424%0.243CC..Hα-helixtrans-57-44.9176.2-95.3-20.8000111R73 Y76 T99 Q106 H107R73-D103 IonicContact CZ-OD1 3.77Å; R73-D103 IonicContact NE-OD1 3.71Å; R73-D103 PolarHBondContact NE-OD1 3.3Å; R73-D103 IonicContact NE-OD2 3.45Å; R73-D103 IonicContact NH2-OD1 2.76Å; R73-D103 PolarHBondContact NH2-OD1 2.84Å; R73-D103 IonicContact NH2-OD2 2.83Å; Y76-D103 HydrophobicContact CE2-CB 4.22Å; T99-D103 WeakPolarHBondContact O-CB 3.12Å; T99-D103 PolarHBondContact O-N 3.27Å; D103-Q106 PolarHBondContact O-N 2.86Å; D103-H107 PolarHBondContact O-N 2.81Å; D103-H107 PolarHBondContact O-ND1 3.13Å
104A92.9Very high93.9Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-62.4-45.6179.300000112.1I12 Y76 W100 L101 E102 H107 S108 M112I12-A104 HydrophobicContact CD1-CB 3.89Å; Y76-A104 HydrophobicContact CD1-CB 3.97Å; Y76-A104 VanDerWaalsContact CE1-CA 3.47Å; Y76-A104 HydrophobicContact CE1-CB 3.49Å; Y76-A104 VanDerWaalsContact CE1-CB 3.49Å; W100-A104 WeakPolarHBondContact O-CB 3.43Å; W100-A104 PolarHBondContact O-N 2.58Å; L101-A104 PolarHBondContact O-N 2.9Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.47Å; A104-H107 PolarHBondContact O-N 3.16Å; A104-S108 WeakPolarHBondContact O-CB 3.43Å; A104-S108 PolarHBondContact O-N 2.9Å; A104-S108 VanDerWaalsContact O-N 3.12Å; A104-S108 PolarHBondContact O-OG 2.88Å; A104-M112 HydrophobicContact CB-CE 4.01Å
105R93.4Very high93.9Very high122 Ų12246.4 Ų46.446%0.4624%0.241SC..Hα-helixtrans-68.2-35.3179.6-75.9178.2167.8177.3-3.7113.2L101 E102 H107 H141L101-R105 HydrophobicContact CD1-CG 4.33Å; L101-R105 WeakPolarHBondContact O-CB 3.28Å; L101-R105 WeakPolarHBondContact O-CG 3.23Å; L101-R105 PolarHBondContact O-N 2.98Å; E102-R105 PolarHBondContact O-N 3.31Å; R105-H107 VanDerWaalsContact C-N 3.29Å; R105-H107 PolarHBondContact O-N 3.45Å; R105-H141 PolarHBondContact NH2-O 3.22Å
106Q92.3Very high93.9Very high135 Ų13542 Ų4263%0.63122%0.217SC*.Hα-helixtrans-68.8-27178.8-74.4176.715.500113.2E102 D103E102-Q106 WeakPolarHBondContact O-CB 3.03Å; E102-Q106 VanDerWaalsContact O-CG 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.19Å; E102-Q106 PolarHBondContact O-N 2.95Å; D103-Q106 PolarHBondContact O-N 2.86Å
107H90.3Very high94Very high69 Ų6938.7 Ų38.732%0.31920%0.202SC..Hα-helixtrans-117.23.4-170.5-58.789.2000114.4Y76 R77 D103 A104 R105Y76-H107 CarbonylContact C-O 3.49Å; Y76-H107 WeakPolarHBondContact CB-O 3.3Å; Y76-H107 HydrophobicContact CD2-CB 3.65Å; Y76-H107 HydrophobicContact CG-CB 3.97Å; R77-H107 PolarHBondContact N-O 3.41Å; D103-H107 PolarHBondContact O-N 2.81Å; D103-H107 PolarHBondContact O-ND1 3.13Å; A104-H107 PolarHBondContact O-N 3.16Å; R105-H107 VanDerWaalsContact C-N 3.29Å; R105-H107 PolarHBondContact O-N 3.45Å
108S89Confident94.1Very high24 Ų2438.7 Ų38.717%0.16820%0.202CC..SBendtrans-121.5177.8178.568.90000111.8A104 M112A104-S108 WeakPolarHBondContact O-CB 3.43Å; A104-S108 PolarHBondContact O-N 2.9Å; A104-S108 VanDerWaalsContact O-N 3.12Å; A104-S108 PolarHBondContact O-OG 2.88Å; S108-M112 WeakPolarHBondContact OG-CE 3.47Å
109N86.3Confident94.2Very high39 Ų3936.1 Ų36.121%0.20919%0.186CC..  trans-71.5139.2171.6-173.5-51.6000109.7N111 M112 N183N109-N111 PolarHBondContact O-N 2.91Å; N109-N111 WeakPolarHBondContact OD1-CB 3.38Å; N109-N111 PolarHBondContact OD1-N 3.04Å; N109-M112 VanDerWaalsContact O-CB 3.23Å; N109-M112 WeakPolarHBondContact O-CB 3.44Å; N109-M112 PolarHBondContact O-N 3.47Å; N109-N183 PolarHBondContact ND2-OD1 2.8Å
110S87.7Confident94.4Very high112 Ų11235.9 Ų35.978%0.78318%0.181SC*.THydrogen-bonded Turntrans-53.4-24.217555.60000114.4
111N91.4Very high94.6Very high47 Ų4737.1 Ų37.125%0.25119%0.19SC..THydrogen-bonded Turntrans-86.1-8-179.3-63-17.6000113.5N109 V113 K170 V175 F176N109-N111 PolarHBondContact O-N 2.91Å; N109-N111 WeakPolarHBondContact OD1-CB 3.38Å; N109-N111 PolarHBondContact OD1-N 3.04Å; N111-V113 PolarHBondContact O-N 2.75Å; N111-K170 PolarHBondContact O-NZ 2.75Å; N111-V175 HydrophobicContact CB-CG1 4.12Å; N111-V175 PolarHBondContact ND2-O 3.05Å; N111-F176 HydrophobicContact CB-CD1 4.13Å; N111-F176 HydrophobicContact CB-CE1 3.58Å; N111-F176 HydrophobicContact CB-CZ 3.86Å; N111-F176 WeakPolarHBondContact O-CZ 3.42Å
112M94.9Very high94.7Very high12 Ų1239.4 Ų39.46%0.05920%0.202CC..  trans-50.4128.3178.3-177.5173.77200110.4I10 A79 A82 A104 S108 N109 I114I10-M112 HydrophobicContact CD1-SD 4.5Å; A79-M112 HydrophobicContact CB-SD 3.7Å; A82-M112 HydrophobicContact CB-CE 3.86Å; A82-M112 HydrophobicContact CB-SD 3.91Å; A104-M112 HydrophobicContact CB-CE 4.01Å; S108-M112 WeakPolarHBondContact OG-CE 3.47Å; N109-M112 VanDerWaalsContact O-CB 3.23Å; N109-M112 WeakPolarHBondContact O-CB 3.44Å; N109-M112 PolarHBondContact O-N 3.47Å; M112-I114 HydrophobicContact CE-CD1 3.75Å; M112-I114 HydrophobicContact CE-CG1 3.88Å; M112-I114 HydrophobicContact CG-CG1 4.45Å
113V97.3Very high94.9Very high5 Ų536.8 Ų36.83%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-81.3129.2177.4175.80000108.6A80 G81 A82 N111 I144 T163 E166 I167 K170A80-V113 PolarHBondContact O-N 3.18Å; G81-V113 CarbonylContact C-O 3.55Å; G81-V113 WeakPolarHBondContact CA-O 3.33Å; A82-V113 PolarHBondContact N-O 2.86Å; N111-V113 PolarHBondContact O-N 2.75Å; V113-I144 HydrophobicContact CG1-CD1 4.07Å; V113-T163 HydrophobicContact CG1-CG2 3.99Å; V113-E166 HydrophobicContact CB-CG 4.33Å; V113-E166 HydrophobicContact CG1-CB 3.92Å; V113-E166 HydrophobicContact CG1-CG 3.58Å; V113-E166 HydrophobicContact CG2-CB 4.42Å; V113-E166 HydrophobicContact CG2-CG 3.72Å; V113-I167 HydrophobicContact CB-CD1 4.39Å; V113-I167 HydrophobicContact CB-CG1 3.71Å; V113-I167 HydrophobicContact CG1-CG1 4.45Å; V113-I167 HydrophobicContact CG2-CB 4.44Å; V113-I167 HydrophobicContact CG2-CG1 3.5Å; V113-K170 HydrophobicContact CG2-CD 3.84Å
114I98.1Very high95.1Very high13 Ų1341.3 Ų41.37%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-120124.3-179.3-53.9-178.6000109.1A82 L84 L101 M112 L143 I144A82-I114 HydrophobicContact CB-CG1 4.3Å; A82-I114 WeakPolarHBondContact O-CA 3.45Å; L84-I114 HydrophobicContact CB-CG2 4.07Å; L101-I114 HydrophobicContact CD1-CD1 3.6Å; M112-I114 HydrophobicContact CE-CD1 3.75Å; M112-I114 HydrophobicContact CE-CG1 3.88Å; M112-I114 HydrophobicContact CG-CG1 4.45Å; I114-L143 HydrophobicContact CB-CD2 3.85Å; I114-L143 HydrophobicContact CD1-CD2 4.4Å; I114-L143 HydrophobicContact CG2-CD1 4.44Å; I114-L143 HydrophobicContact CG2-CD2 4.01Å; I114-I144 PolarHBondContact O-N 3.41Å; I114-I144 VanDerWaalsContact O-N 3.1Å
115M98.6Very high95.4Very high0 Ų046.5 Ų46.50%025%0.254CS..EExtended strand (participates in β ladder)trans-104.2116.5171.8170.372.374.900108.7A82 L83 L84 I117 I144 M146 D162 T163A82-M115 PolarHBondContact O-N 2.83Å; L83-M115 WeakPolarHBondContact CA-O 3.28Å; L83-M115 HydrophobicContact CD2-CB 3.67Å; L83-M115 HydrophobicContact CD2-CG 4Å; L84-M115 PolarHBondContact N-O 2.89Å; M115-I117 HydrophobicContact CG-CD1 4.17Å; M115-I117 HydrophobicContact CG-CG1 3.72Å; M115-I144 HydrophobicContact CE-CB 3.82Å; M115-I144 HydrophobicContact CE-CD1 4.3Å; M115-I144 HydrophobicContact CE-CG2 3.4Å; M115-I144 HydrophobicContact SD-CB 3.77Å; M115-I144 HydrophobicContact SD-CG2 3.64Å; M115-M146 HydrophobicContact SD-CB 3.99Å; M115-D162 HydrophobicContact CE-CB 4.26Å; M115-T163 VanDerWaalsContact CB-OG1 3.31Å; M115-T163 WeakPolarHBondContact CB-OG1 3.49Å
116L98.8Very high95.6Very high0 Ų049.3 Ų49.30%027%0.265CS..EExtended strand (participates in β ladder)trans-78.4126.6169.2179.666.6000109.6L84 Y86 L97 G134 F137 A138 L143 I144 F145 M146L84-L116 HydrophobicContact CD2-CD1 4.19Å; L84-L116 HydrophobicContact CG-CD1 4.09Å; L84-L116 CarbonylContact O-C 3.54Å; L84-L116 WeakPolarHBondContact O-CA 3.33Å; Y86-L116 HydrophobicContact CD1-CD1 3.93Å; Y86-L116 HydrophobicContact CD1-CG 4.47Å; Y86-L116 HydrophobicContact CE1-CD1 4.15Å; Y86-L116 HydrophobicContact CE1-CD2 4.46Å; Y86-L116 HydrophobicContact CE1-CG 4.2Å; L97-L116 HydrophobicContact CD1-CD1 3.69Å; L97-L116 HydrophobicContact CD2-CD1 3.59Å; L97-L116 HydrophobicContact CG-CD1 4.29Å; L116-G134 WeakPolarHBondContact CD2-O 3.46Å; L116-F137 HydrophobicContact CD2-CB 4.42Å; L116-F137 HydrophobicContact CD2-CD1 3.8Å; L116-F137 HydrophobicContact CD2-CG 4.49Å; L116-A138 HydrophobicContact CB-CB 4.44Å; L116-A138 HydrophobicContact CD2-CB 4.01Å; L116-L143 HydrophobicContact CB-CB 4.49Å; L116-L143 HydrophobicContact CB-CD1 4.21Å; L116-I144 PolarHBondContact N-O 3.46Å; L116-F145 HydrophobicContact CB-CD2 4.12Å; L116-F145 HydrophobicContact CD2-CD2 3.73Å; L116-F145 HydrophobicContact CD2-CE2 4.21Å; L116-F145 HydrophobicContact CG-CD2 3.84Å; L116-F145 HydrophobicContact CG-CE2 4.34Å; L116-F145 WeakPolarHBondContact O-CA 2.83Å; L116-M146 PolarHBondContact O-N 2.91Å
117I98.9Very high95.9Very high0 Ų045.6 Ų45.60%025%0.245CC..EExtended strand (participates in β ladder)trans-119.8115.8-178.4-59.6-175.6000110.5L22 L83 L84 V85 Y86 M115 N119 M146 T148 A159L22-I117 HydrophobicContact CD1-CD1 4.5Å; L22-I117 HydrophobicContact CD1-CG2 4.17Å; L83-I117 HydrophobicContact CB-CD1 4Å; L83-I117 HydrophobicContact CD1-CD1 3.92Å; L83-I117 HydrophobicContact CD2-CD1 4.14Å; L83-I117 HydrophobicContact CG-CD1 4.24Å; L84-I117 PolarHBondContact O-N 2.62Å; V85-I117 WeakPolarHBondContact CA-O 3.32Å; V85-I117 HydrophobicContact CG1-CB 4.33Å; V85-I117 HydrophobicContact CG1-CG2 4.26Å; V85-I117 HydrophobicContact CG2-CB 4.25Å; V85-I117 HydrophobicContact CG2-CD1 4.49Å; Y86-I117 VanDerWaalsContact CD1-O 3.27Å; Y86-I117 WeakPolarHBondContact CD1-O 3.47Å; Y86-I117 PolarHBondContact N-O 2.98Å; M115-I117 HydrophobicContact CG-CD1 4.17Å; M115-I117 HydrophobicContact CG-CG1 3.72Å; I117-N119 HydrophobicContact CG2-CB 4.28Å; I117-N119 PolarHBondContact O-N 3.35Å; I117-M146 VanDerWaalsContact CA-O 3.3Å; I117-M146 WeakPolarHBondContact CA-O 3.19Å; I117-T148 HydrophobicContact CG2-CG2 3.69Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.25Å; I117-A159 HydrophobicContact CD1-CB 3.9Å
118G98.9Very high96.3Very high0 Ų046.3 Ų46.30%025%0.252CS..EExtended strand (participates in β ladder)trans-84.79516300000110.1Y86 M146 E147 T148Y86-G118 VanDerWaalsContact CZ-CA 3.44Å; G118-M146 PolarHBondContact N-O 3.42Å; G118-E147 CarbonylContact O-C 3.54Å; G118-E147 WeakPolarHBondContact O-CA 3.21Å; G118-T148 PolarHBondContact O-N 2.99Å
119N98.8Very high96.7Very high3 Ų345.2 Ų45.22%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-85.3164-177.3-169.226.9000111.9V17 L22 V85 Y86 I88 I117 T148 A150V17-N119 PolarHBondContact O-ND2 2.72Å; L22-N119 HydrophobicContact CD1-CB 4.33Å; V85-N119 HydrophobicContact CG1-CB 3.84Å; Y86-N119 PolarHBondContact O-N 3.32Å; I88-N119 WeakPolarHBondContact CG1-O 3.17Å; I88-N119 PolarHBondContact N-O 3.32Å; I88-N119 VanDerWaalsContact N-O 3.08Å; I117-N119 HydrophobicContact CG2-CB 4.28Å; I117-N119 PolarHBondContact O-N 3.35Å; N119-T148 CarbonylContact C-O 3.56Å; N119-T148 WeakPolarHBondContact CA-O 3.49Å; N119-T148 PolarHBondContact OD1-O 3.13Å; N119-T148 PolarHBondContact OD1-OG1 3.02Å; N119-A150 PolarHBondContact OD1-N 3.48Å
120K98.3Very high97.3Very high50 Ų5049.7 Ų49.722%0.21726%0.261CS..  trans71.234-179-44.4-169.9-166.4170.40114.2G16 D87 I88 D122 L123 T148G16-K120 WeakPolarHBondContact O-CE 3.24Å; G16-K120 PolarHBondContact O-NZ 2.81Å; D87-K120 WeakPolarHBondContact OD1-CD 2.82Å; D87-K120 VanDerWaalsContact OD2-CE 3.27Å; D87-K120 WeakPolarHBondContact OD2-CE 3.5Å; D87-K120 IonicContact OD2-NZ 3.56Å; D87-K120 PolarHBondContact OD2-NZ 2.87Å; I88-K120 WeakPolarHBondContact CD1-O 3.43Å; K120-D122 PolarHBondContact O-N 2.75Å; K120-L123 HydrophobicContact CB-CD1 4.13Å; K120-L123 HydrophobicContact CB-CG 4.35Å; K120-L123 HydrophobicContact CD-CD1 4.13Å; K120-L123 WeakPolarHBondContact O-CB 3.42Å; K120-L123 PolarHBondContact O-N 2.77Å; K120-T148 PolarHBondContact N-O 3.25Å
121S98.6Very high97.8Very high29 Ų2949.6 Ų49.620%0.20324%0.244CC..G310 helixtrans-56.1-18.5171.753.80000114.4L123 T148 S149S121-L123 PolarHBondContact O-N 3.33Å; S121-T148 WeakPolarHBondContact CB-O 3.31Å; S121-T148 PolarHBondContact N-O 2.63Å; S121-T148 PolarHBondContact OG-O 2.74Å; S121-S149 WeakPolarHBondContact OG-CB 3.47Å
122D98.4Very high98.2Very high51 Ų5151.9 Ų51.927%0.27325%0.253SS..G310 helixtrans-68.1-14.4171.161.4-79.7000114K120 S149 K151 T152K120-D122 PolarHBondContact O-N 2.75Å; D122-S149 WeakPolarHBondContact CB-OG 3.48Å; D122-S149 VanDerWaalsContact CG-OG 3.26Å; D122-S149 WeakPolarHBondContact OD1-CB 3.38Å; D122-S149 PolarHBondContact OD1-OG 3.42Å; D122-K151 WeakPolarHBondContact OD2-CD 3.48Å; D122-K151 IonicContact OD2-NZ 2.73Å; D122-T152 HydrophobicContact CB-CG2 3.92Å
123L97.7Very high98.3Very high50 Ų5054.3 Ų54.326%0.26226%0.264SS..G310 helixtrans-99.938.9179.6-57.8-177.5000112.5T89 K120 S121 A125 R126T89-L123 HydrophobicContact CG2-CB 3.62Å; T89-L123 HydrophobicContact CG2-CD1 4.05Å; T89-L123 HydrophobicContact CG2-CG 4.49Å; K120-L123 HydrophobicContact CB-CD1 4.13Å; K120-L123 HydrophobicContact CB-CG 4.35Å; K120-L123 HydrophobicContact CD-CD1 4.13Å; K120-L123 WeakPolarHBondContact O-CB 3.42Å; K120-L123 PolarHBondContact O-N 2.77Å; S121-L123 PolarHBondContact O-N 3.33Å; L123-A125 PolarHBondContact O-N 2.76Å; L123-A125 VanDerWaalsContact O-N 3.09Å; L123-R126 PolarHBondContact O-N 3.29Å
124E97.5Very high98.4Very high107 Ų10754 Ų5450%0.526%0.263SS..G310 helixtrans-50.8-38.2-175.7-170.258.7-148.700113.6R126 R127E124-R126 PolarHBondContact O-N 3.01Å; E124-R126 VanDerWaalsContact O-N 3.07Å; E124-R127 VanDerWaalsContact CD-NE 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.28Å; E124-R127 WeakPolarHBondContact O-CB 3.41Å; E124-R127 PolarHBondContact O-N 2.8Å; E124-R127 WeakPolarHBondContact OE1-CD 3.48Å; E124-R127 IonicContact OE1-CZ 3.51Å; E124-R127 IonicContact OE1-NE 3.65Å; E124-R127 PolarHBondContact OE1-NE 2.85Å; E124-R127 IonicContact OE1-NH2 3.3Å; E124-R127 IonicContact OE2-CZ 3.35Å; E124-R127 VanDerWaalsContact OE2-CZ 3.28Å; E124-R127 IonicContact OE2-NE 3.48Å; E124-R127 PolarHBondContact OE2-NE 2.91Å; E124-R127 IonicContact OE2-NH2 2.76Å; E124-R127 PolarHBondContact OE2-NH2 3.07Å
125A98Very high98.4Very high108 Ų10856.4 Ų56.489%0.89327%0.273SS*.G310 helixtrans-64-13.617800000114.5L123L123-A125 PolarHBondContact O-N 2.76Å; L123-A125 VanDerWaalsContact O-N 3.09Å
126R97.9Very high98.4Very high182 Ų18258.2 Ų58.269%0.68729%0.288SS*.G310 helixtrans-114.511.9177.9-58.6-176.9-174.7-177.60.8112.2T89 L123 E124 D128T89-R126 WeakPolarHBondContact CA-O 3.38Å; T89-R126 VanDerWaalsContact CB-O 3.23Å; T89-R126 WeakPolarHBondContact CB-O 3.45Å; T89-R126 HydrophobicContact CG2-CB 3.89Å; L123-R126 PolarHBondContact O-N 3.29Å; E124-R126 PolarHBondContact O-N 3.01Å; E124-R126 VanDerWaalsContact O-N 3.07Å; R126-D128 PolarHBondContact O-N 3.4Å
127R98.6Very high98.4Very high56 Ų5659.1 Ų59.121%0.21129%0.292CS..  trans-59127.5-179179-178.8-70.4-85.45110.5I88 E124 V129 E147I88-R127 HydrophobicContact CD1-CB 4.46Å; I88-R127 HydrophobicContact CD1-CG 4.46Å; E124-R127 VanDerWaalsContact CD-NE 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.28Å; E124-R127 WeakPolarHBondContact O-CB 3.41Å; E124-R127 PolarHBondContact O-N 2.8Å; E124-R127 WeakPolarHBondContact OE1-CD 3.48Å; E124-R127 IonicContact OE1-CZ 3.51Å; E124-R127 IonicContact OE1-NE 3.65Å; E124-R127 PolarHBondContact OE1-NE 2.85Å; E124-R127 IonicContact OE1-NH2 3.3Å; E124-R127 IonicContact OE2-CZ 3.35Å; E124-R127 VanDerWaalsContact OE2-CZ 3.28Å; E124-R127 IonicContact OE2-NE 3.48Å; E124-R127 PolarHBondContact OE2-NE 2.91Å; E124-R127 IonicContact OE2-NH2 2.76Å; E124-R127 PolarHBondContact OE2-NH2 3.07Å; R127-V129 WeakPolarHBondContact CD-O 3.48Å; R127-V129 WeakPolarHBondContact CG-O 3.3Å; R127-V129 PolarHBondContact NH1-O 2.94Å; R127-E147 IonicContact CZ-OE1 3.81Å; R127-E147 IonicContact CZ-OE2 3.54Å; R127-E147 IonicContact NH1-OE1 2.67Å; R127-E147 PolarHBondContact NH1-OE1 2.85Å; R127-E147 IonicContact NH1-OE2 2.95Å; R127-E147 IonicContact NH2-OE1 3.77Å; R127-E147 PolarHBondContact NH2-OE1 2.98Å; R127-E147 IonicContact NH2-OE2 2.79Å; R127-E147 PolarHBondContact NH2-OE2 2.99Å
128D98.5Very high98.4Very high85 Ų8559.2 Ų59.246%0.45529%0.293SS..  trans-116.7-17.2177.1-16621.1000111.5I88 R91 R126I88-D128 PolarHBondContact O-N 3Å; R91-D128 WeakPolarHBondContact CB-OD2 3.2Å; R91-D128 PolarHBondContact N-OD2 2.9Å; R91-D128 PolarHBondContact NE-O 3.28Å; R91-D128 PolarHBondContact NH2-O 3.23Å; R126-D128 PolarHBondContact O-N 3.4Å
129V98.6Very high98.4Very high0 Ų067.9 Ų67.90%033%0.325CS..SBendtrans-116.4119.7174.9-174.50000109.4Y86 I88 F94 R127 E133Y86-V129 HydrophobicContact CE2-CB 3.96Å; Y86-V129 HydrophobicContact CE2-CG1 3.79Å; Y86-V129 HydrophobicContact CE2-CG2 4.2Å; I88-V129 PolarHBondContact O-N 3.42Å; F94-V129 HydrophobicContact CB-CG1 4.37Å; F94-V129 HydrophobicContact CB-CG2 3.75Å; F94-V129 HydrophobicContact CD1-CG1 4.37Å; F94-V129 HydrophobicContact CD2-CG1 3.65Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.87Å; F94-V129 HydrophobicContact CG-CG2 4.13Å; F94-V129 HydrophobicContact CZ-CG1 4.44Å; R127-V129 WeakPolarHBondContact CD-O 3.48Å; R127-V129 WeakPolarHBondContact CG-O 3.3Å; R127-V129 PolarHBondContact NH1-O 2.94Å; V129-E133 HydrophobicContact CG1-CB 4.18Å
130K98.4Very high98.3Very high134 Ų13475 Ų7558%0.58336%0.359SS*.  trans-69.7146.4176.4-62-177.5179.8179.40110E132 E133K130-E132 WeakPolarHBondContact CB-OE2 3.49Å; K130-E132 PolarHBondContact O-N 3.12Å; K130-E133 HydrophobicContact CB-CG 4.13Å; K130-E133 WeakPolarHBondContact CB-OE2 3.45Å; K130-E133 PolarHBondContact N-OE2 2.68Å; K130-E133 WeakPolarHBondContact O-CB 3.43Å; K130-E133 PolarHBondContact O-N 2.89Å
131R98.3Very high98.3Very high109 Ų10974.4 Ų74.441%0.41136%0.357SS..Hα-helixtrans-56.2-38177.5-176.7-179.255.894.611.9111.6E133 G134 E135 F145 E147R131-E133 PolarHBondContact O-N 2.9Å; R131-G134 PolarHBondContact O-N 2.61Å; R131-G134 VanDerWaalsContact O-N 3.13Å; R131-E135 IonicContact CZ-OE1 3.78Å; R131-E135 IonicContact NE-OE1 3.28Å; R131-E135 IonicContact NH1-OE1 3.84Å; R131-E135 PolarHBondContact NH1-OE1 3.46Å; R131-E135 IonicContact NH1-OE2 2.77Å; R131-E135 WeakPolarHBondContact O-CG 3.45Å; R131-E135 PolarHBondContact O-N 3.43Å; R131-F145 HydrophobicContact CG-CE1 3.89Å; R131-F145 HydrophobicContact CG-CZ 4.34Å; R131-E147 WeakPolarHBondContact CA-OE1 3.26Å; R131-E147 WeakPolarHBondContact CB-OE1 3.47Å; R131-E147 HydrophobicContact CG-CG 4.4Å
132E98.4Very high98.2Very high96 Ų9676.3 Ų76.345%0.44938%0.381SS..Hα-helixtrans-62.5-28.1179.8-63.169.6-147.600112.5K130 A136K130-E132 WeakPolarHBondContact CB-OE2 3.49Å; K130-E132 PolarHBondContact O-N 3.12Å; E132-A136 VanDerWaalsContact O-CB 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 3.35Å
133E98.5Very high98.1Very high62 Ų6274.9 Ų74.929%0.2937%0.373SS..Hα-helixtrans-72.9-40.8176-61.6176.890.500111.1R91 F94 V129 K130 R131 A136 F137R91-E133 IonicContact CZ-OE1 2.68Å; R91-E133 VanDerWaalsContact CZ-OE1 3.3Å; R91-E133 IonicContact CZ-OE2 3.44Å; R91-E133 VanDerWaalsContact NH1-CD 3.32Å; R91-E133 IonicContact NH1-OE1 3.92Å; R91-E133 PolarHBondContact NH1-OE1 3.28Å; R91-E133 IonicContact NH1-OE2 3.6Å; R91-E133 VanDerWaalsContact NH2-CD 3.28Å; R91-E133 IonicContact NH2-OE1 3.55Å; R91-E133 PolarHBondContact NH2-OE1 2.87Å; R91-E133 VanDerWaalsContact NH2-OE1 3.09Å; R91-E133 IonicContact NH2-OE2 2.73Å; R91-E133 PolarHBondContact NH2-OE2 3.38Å; F94-E133 HydrophobicContact CE1-CB 4.48Å; F94-E133 HydrophobicContact CZ-CB 4.03Å; V129-E133 HydrophobicContact CG1-CB 4.18Å; K130-E133 HydrophobicContact CB-CG 4.13Å; K130-E133 WeakPolarHBondContact CB-OE2 3.45Å; K130-E133 PolarHBondContact N-OE2 2.68Å; K130-E133 WeakPolarHBondContact O-CB 3.43Å; K130-E133 PolarHBondContact O-N 2.89Å; R131-E133 PolarHBondContact O-N 2.9Å; E133-A136 PolarHBondContact O-N 2.55Å; E133-F137 WeakPolarHBondContact O-CB 3.1Å; E133-F137 PolarHBondContact O-N 2.81Å
134G98.6Very high98.2Very high0 Ų075.1 Ų75.10%037%0.374CS..Hα-helixtrans-62.4-44.6172.200000112.6L116 R131 A136 F137 A138L116-G134 WeakPolarHBondContact CD2-O 3.46Å; R131-G134 PolarHBondContact O-N 2.61Å; R131-G134 VanDerWaalsContact O-N 3.13Å; G134-A136 PolarHBondContact O-N 3.44Å; G134-F137 PolarHBondContact O-N 3.3Å; G134-A138 WeakPolarHBondContact O-CB 3.11Å; G134-A138 PolarHBondContact O-N 3.38Å
135E98.6Very high98.2Very high63 Ų6371.9 Ų71.929%0.29436%0.359SS..Hα-helixtrans-62.3-42.1175.3-71174.8176.200112.4R131 R139 F145R131-E135 IonicContact CZ-OE1 3.78Å; R131-E135 IonicContact NE-OE1 3.28Å; R131-E135 IonicContact NH1-OE1 3.84Å; R131-E135 PolarHBondContact NH1-OE1 3.46Å; R131-E135 IonicContact NH1-OE2 2.77Å; R131-E135 WeakPolarHBondContact O-CG 3.45Å; R131-E135 PolarHBondContact O-N 3.43Å; E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.23Å; E135-F145 HydrophobicContact CB-CD1 4.36Å; E135-F145 HydrophobicContact CG-CD1 3.4Å; E135-F145 VanDerWaalsContact CG-CD1 3.4Å; E135-F145 HydrophobicContact CG-CE1 3.55Å; E135-F145 HydrophobicContact CG-CG 4.39Å
136A98.7Very high98.2Very high37 Ų3768.2 Ų68.231%0.30632%0.323SS..Hα-helixtrans-64-47.9177.100000111.6E132 E133 G134 A138 R139 E140E132-A136 VanDerWaalsContact O-CB 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 3.35Å; E133-A136 PolarHBondContact O-N 2.55Å; G134-A136 PolarHBondContact O-N 3.44Å; A136-A138 PolarHBondContact O-N 2.94Å; A136-R139 PolarHBondContact O-N 3.09Å; A136-E140 WeakPolarHBondContact O-CB 3.11Å; A136-E140 PolarHBondContact O-N 3.39Å
137F98.7Very high98.3Very high19 Ų1960.7 Ų60.78%0.08330%0.296CS..Hα-helixtrans-59.7-46.1177.8-176.3-81.5000111.7F94 L97 L101 L116 E133 G134 E140 H141 L143F94-F137 HydrophobicContact CE2-CB 4.36Å; F94-F137 HydrophobicContact CZ-CB 4.02Å; F94-F137 HydrophobicContact CZ-CD2 4.46Å; F94-F137 HydrophobicContact CZ-CG 4.46Å; L97-F137 HydrophobicContact CB-CE1 4Å; L97-F137 HydrophobicContact CB-CE2 4.01Å; L97-F137 HydrophobicContact CB-CZ 3.57Å; L97-F137 HydrophobicContact CD1-CD1 4.39Å; L97-F137 HydrophobicContact CD1-CE1 4.35Å; L101-F137 HydrophobicContact CD2-CE1 4.17Å; L101-F137 HydrophobicContact CD2-CZ 4.18Å; L116-F137 HydrophobicContact CD2-CB 4.42Å; L116-F137 HydrophobicContact CD2-CD1 3.8Å; L116-F137 HydrophobicContact CD2-CG 4.49Å; E133-F137 WeakPolarHBondContact O-CB 3.1Å; E133-F137 PolarHBondContact O-N 2.81Å; G134-F137 PolarHBondContact O-N 3.3Å; F137-E140 PolarHBondContact O-N 3.45Å; F137-H141 AromaticContact CD1-ND1 3.88Å; F137-H141 AromaticContact CD2-CE1 3.93Å; F137-H141 AromaticContact CD2-ND1 3.95Å; F137-H141 AromaticContact CE1-ND1 3.8Å; F137-H141 AromaticContact CE2-CE1 3.62Å; F137-H141 AromaticContact CE2-ND1 3.86Å; F137-H141 AromaticContact CG-ND1 3.96Å; F137-H141 AromaticContact CZ-CE1 3.81Å; F137-H141 AromaticContact CZ-ND1 3.79Å; F137-H141 WeakPolarHBondContact O-CB 3.21Å; F137-H141 PolarHBondContact O-N 2.85Å; F137-H141 PolarHBondContact O-ND1 3.31Å; F137-L143 HydrophobicContact CD1-CD1 4.18Å; F137-L143 HydrophobicContact CE1-CD1 3.92Å
138A98.6Very high98.3Very high2 Ų258 Ų582%0.01729%0.286CS..Hα-helixtrans-63.2-43.6178.800000111.9L116 G134 A136 H141 G142 L143 F145L116-A138 HydrophobicContact CB-CB 4.44Å; L116-A138 HydrophobicContact CD2-CB 4.01Å; G134-A138 WeakPolarHBondContact O-CB 3.11Å; G134-A138 PolarHBondContact O-N 3.38Å; A136-A138 PolarHBondContact O-N 2.94Å; A138-H141 CarbonylContact O-C 3.48Å; A138-H141 PolarHBondContact O-N 2.98Å; A138-G142 PolarHBondContact O-N 2.95Å; A138-L143 HydrophobicContact CB-CB 4.08Å; A138-L143 PolarHBondContact O-N 3.5Å; A138-F145 HydrophobicContact CB-CB 3.63Å; A138-F145 HydrophobicContact CB-CG 4.4Å
139R98.2Very high98.3Very high182 Ų18254 Ų5469%0.68727%0.265SS*.Hα-helixtrans-62.9-45.5176.6179.2173.654.4-114.5-4.7112.1E135 A136 H141 G142E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.23Å; A136-R139 PolarHBondContact O-N 3.09Å; R139-H141 PolarHBondContact O-N 3.26Å; R139-G142 PolarHBondContact O-N 3.18Å
140E98Very high98.3Very high152 Ų15254.2 Ų54.271%0.7127%0.266SS*.Hα-helixtrans-58.6-38.7177.7-178.6177.6179.100111.8A136 F137A136-E140 WeakPolarHBondContact O-CB 3.11Å; A136-E140 PolarHBondContact O-N 3.39Å; F137-E140 PolarHBondContact O-N 3.45Å
141H97.1Very high98.2Very high38 Ų3853.5 Ų53.518%0.17626%0.263CS..Hα-helixtrans-97.83.4-177.5-65.489.6000114.1L101 R105 F137 A138 R139 L143L101-H141 HydrophobicContact CD2-CB 3.66Å; L101-H141 WeakPolarHBondContact CD2-CD2 3.22Å; L101-H141 VanDerWaalsContact CD2-CG 3.5Å; R105-H141 PolarHBondContact NH2-O 3.22Å; F137-H141 AromaticContact CD1-ND1 3.88Å; F137-H141 AromaticContact CD2-CE1 3.93Å; F137-H141 AromaticContact CD2-ND1 3.95Å; F137-H141 AromaticContact CE1-ND1 3.8Å; F137-H141 AromaticContact CE2-CE1 3.62Å; F137-H141 AromaticContact CE2-ND1 3.86Å; F137-H141 AromaticContact CG-ND1 3.96Å; F137-H141 AromaticContact CZ-CE1 3.81Å; F137-H141 AromaticContact CZ-ND1 3.79Å; F137-H141 WeakPolarHBondContact O-CB 3.21Å; F137-H141 PolarHBondContact O-N 2.85Å; F137-H141 PolarHBondContact O-ND1 3.31Å; A138-H141 CarbonylContact O-C 3.48Å; A138-H141 PolarHBondContact O-N 2.98Å; R139-H141 PolarHBondContact O-N 3.26Å; H141-L143 HydrophobicContact CB-CD1 4.04Å; H141-L143 HydrophobicContact CB-CD2 4.08Å; H141-L143 HydrophobicContact CB-CG 3.78Å; H141-L143 WeakPolarHBondContact O-CD2 3.18Å
142G96.4Very high98.2Very high70 Ų7052.5 Ų52.572%0.72227%0.269SS*.THydrogen-bonded Turntrans63.239.4-178.900000114A138 R139A138-G142 PolarHBondContact O-N 2.95Å; R139-G142 PolarHBondContact O-N 3.18Å
143L98Very high98.2Very high20 Ų2049.9 Ų49.911%0.10526%0.264CS..  trans-102.9157.4177.1-38.5178.2000110L101 I114 L116 F137 A138 H141L101-L143 HydrophobicContact CD1-CD1 4.38Å; L101-L143 HydrophobicContact CD1-CD2 3.94Å; L101-L143 HydrophobicContact CD2-CD1 4.28Å; I114-L143 HydrophobicContact CB-CD2 3.85Å; I114-L143 HydrophobicContact CD1-CD2 4.4Å; I114-L143 HydrophobicContact CG2-CD1 4.44Å; I114-L143 HydrophobicContact CG2-CD2 4.01Å; L116-L143 HydrophobicContact CB-CB 4.49Å; L116-L143 HydrophobicContact CB-CD1 4.21Å; F137-L143 HydrophobicContact CD1-CD1 4.18Å; F137-L143 HydrophobicContact CE1-CD1 3.92Å; A138-L143 HydrophobicContact CB-CB 4.08Å; A138-L143 PolarHBondContact O-N 3.5Å; H141-L143 HydrophobicContact CB-CD1 4.04Å; H141-L143 HydrophobicContact CB-CD2 4.08Å; H141-L143 HydrophobicContact CB-CG 3.78Å; H141-L143 WeakPolarHBondContact O-CD2 3.18Å
144I97.9Very high98.2Very high56 Ų5648.8 Ų48.829%0.28727%0.266SS..EExtended strand (participates in β ladder)trans-79.5149.7163.8-48.3169.9000107.7V113 I114 M115 L116 E166V113-I144 HydrophobicContact CG1-CD1 4.07Å; I114-I144 PolarHBondContact O-N 3.41Å; I114-I144 VanDerWaalsContact O-N 3.1Å; M115-I144 HydrophobicContact CE-CB 3.82Å; M115-I144 HydrophobicContact CE-CD1 4.3Å; M115-I144 HydrophobicContact CE-CG2 3.4Å; M115-I144 HydrophobicContact SD-CB 3.77Å; M115-I144 HydrophobicContact SD-CG2 3.64Å; L116-I144 PolarHBondContact N-O 3.46Å; I144-E166 HydrophobicContact CD1-CB 3.86Å; I144-E166 HydrophobicContact CD1-CG 3.99Å
145F98.7Very high98.2Very high38 Ų3852.1 Ų52.117%0.16728%0.284CS..EExtended strand (participates in β ladder)trans-128.4140.5178.2176.4-110000112.4Y86 L116 R131 E135 A138 E147Y86-F145 HydrophobicContact CE1-CE2 4.23Å; L116-F145 HydrophobicContact CB-CD2 4.12Å; L116-F145 HydrophobicContact CD2-CD2 3.73Å; L116-F145 HydrophobicContact CD2-CE2 4.21Å; L116-F145 HydrophobicContact CG-CD2 3.84Å; L116-F145 HydrophobicContact CG-CE2 4.34Å; L116-F145 WeakPolarHBondContact O-CA 2.83Å; R131-F145 HydrophobicContact CG-CE1 3.89Å; R131-F145 HydrophobicContact CG-CZ 4.34Å; E135-F145 HydrophobicContact CB-CD1 4.36Å; E135-F145 HydrophobicContact CG-CD1 3.4Å; E135-F145 VanDerWaalsContact CG-CD1 3.4Å; E135-F145 HydrophobicContact CG-CE1 3.55Å; E135-F145 HydrophobicContact CG-CG 4.39Å; A138-F145 HydrophobicContact CB-CB 3.63Å; A138-F145 HydrophobicContact CB-CG 4.4Å; F145-E147 HydrophobicContact CE1-CG 4.14Å; F145-E147 HydrophobicContact CE2-CG 4.48Å; F145-E147 HydrophobicContact CZ-CG 3.65Å
146M98.3Very high98.2Very high31 Ų3149.2 Ų49.215%0.15327%0.27CS..EExtended strand (participates in β ladder)trans-151.8142.5171.8-167167.4-76.500110.7M115 L116 I117 G118 T148 N155 E158 A159M115-M146 HydrophobicContact SD-CB 3.99Å; L116-M146 PolarHBondContact O-N 2.91Å; I117-M146 VanDerWaalsContact CA-O 3.3Å; I117-M146 WeakPolarHBondContact CA-O 3.19Å; G118-M146 PolarHBondContact N-O 3.42Å; M146-T148 HydrophobicContact CG-CG2 4.32Å; M146-N155 HydrophobicContact CG-CB 3.83Å; M146-N155 HydrophobicContact SD-CB 3.66Å; M146-E158 HydrophobicContact CE-CB 3.92Å; M146-E158 HydrophobicContact SD-CB 3.78Å; M146-A159 HydrophobicContact SD-CB 3.97Å
147E98.8Very high98.1Very high25 Ų2550.3 Ų50.312%0.11727%0.269CS..EExtended strand (participates in β ladder)trans-92.5139.4164-67.3-165.216300110.3G118 R127 R131 F145 N155G118-E147 CarbonylContact O-C 3.54Å; G118-E147 WeakPolarHBondContact O-CA 3.21Å; R127-E147 IonicContact CZ-OE1 3.81Å; R127-E147 IonicContact CZ-OE2 3.54Å; R127-E147 IonicContact NH1-OE1 2.67Å; R127-E147 PolarHBondContact NH1-OE1 2.85Å; R127-E147 IonicContact NH1-OE2 2.95Å; R127-E147 IonicContact NH2-OE1 3.77Å; R127-E147 PolarHBondContact NH2-OE1 2.98Å; R127-E147 IonicContact NH2-OE2 2.79Å; R127-E147 PolarHBondContact NH2-OE2 2.99Å; R131-E147 WeakPolarHBondContact CA-OE1 3.26Å; R131-E147 WeakPolarHBondContact CB-OE1 3.47Å; R131-E147 HydrophobicContact CG-CG 4.4Å; F145-E147 HydrophobicContact CE1-CG 4.14Å; F145-E147 HydrophobicContact CE2-CG 4.48Å; F145-E147 HydrophobicContact CZ-CG 3.65Å; E147-N155 WeakPolarHBondContact O-CB 3.48Å; E147-N155 PolarHBondContact O-ND2 3.08Å
148T98.8Very high98.1Very high0 Ų053.5 Ų53.50%028%0.284CS..EExtended strand (participates in β ladder)trans-131.8163.1-175.862.60000111.8I117 G118 N119 K120 S121 M146 A154 N155 A159I117-T148 HydrophobicContact CG2-CG2 3.69Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.25Å; G118-T148 PolarHBondContact O-N 2.99Å; N119-T148 CarbonylContact C-O 3.56Å; N119-T148 WeakPolarHBondContact CA-O 3.49Å; N119-T148 PolarHBondContact OD1-O 3.13Å; N119-T148 PolarHBondContact OD1-OG1 3.02Å; K120-T148 PolarHBondContact N-O 3.25Å; S121-T148 WeakPolarHBondContact CB-O 3.31Å; S121-T148 PolarHBondContact N-O 2.63Å; S121-T148 PolarHBondContact OG-O 2.74Å; M146-T148 HydrophobicContact CG-CG2 4.32Å; T148-A154 WeakPolarHBondContact CA-O 3.43Å; T148-N155 HydrophobicContact CG2-CB 3.95Å; T148-A159 HydrophobicContact CG2-CB 4.09Å
149S98.6Very high98.1Very high0 Ų053.4 Ų53.40%028%0.284CS..  trans-135.4106.7165.9168.90000109.1S121 D122 K151 T152 A153 A154S121-S149 WeakPolarHBondContact OG-CB 3.47Å; D122-S149 WeakPolarHBondContact CB-OG 3.48Å; D122-S149 VanDerWaalsContact CG-OG 3.26Å; D122-S149 WeakPolarHBondContact OD1-CB 3.38Å; D122-S149 PolarHBondContact OD1-OG 3.42Å; S149-K151 PolarHBondContact O-N 2.97Å; S149-K151 PolarHBondContact OG-N 2.94Å; S149-T152 WeakPolarHBondContact CB-OG1 3.38Å; S149-T152 PolarHBondContact O-N 2.96Å; S149-T152 PolarHBondContact OG-N 2.95Å; S149-T152 PolarHBondContact OG-OG1 3.06Å; S149-A153 CarbonylContact O-C 3.58Å; S149-A153 VanDerWaalsContact O-CA 3.29Å; S149-A153 WeakPolarHBondContact O-CA 3.11Å; S149-A153 PolarHBondContact O-N 3.09Å; S149-A154 PolarHBondContact N-O 3.01Å; S149-A154 PolarHBondContact O-N 3.07Å
150A98Very high98.1Very high4 Ų444.8 Ų44.83%0.03325%0.251CS..THydrogen-bonded Turntrans-57.5-28.8170.800000112.1C21 L22 Q25 F31 N119C21-A150 HydrophobicContact CB-CB 3.64Å; L22-A150 HydrophobicContact CD2-CB 3.98Å; L22-A150 HydrophobicContact CG-CB 4.22Å; Q25-A150 PolarHBondContact NE2-O 3.28Å; F31-A150 HydrophobicContact CD2-CB 4.27Å; F31-A150 WeakPolarHBondContact CD2-O 3.32Å; F31-A150 HydrophobicContact CE2-CB 4.35Å; N119-A150 PolarHBondContact OD1-N 3.48Å
151K97.5Very high98.1Very high119 Ų11939.3 Ų39.352%0.51723%0.226SC..THydrogen-bonded Turntrans-71.2-44.1-179.6-173.4-171.7-177.3-177.20113F31 D122 S149F31-K151 HydrophobicContact CD1-CB 4.44Å; F31-K151 HydrophobicContact CD1-CG 4.1Å; F31-K151 HydrophobicContact CD2-CB 4.2Å; F31-K151 HydrophobicContact CE1-CB 4.23Å; F31-K151 HydrophobicContact CE1-CG 3.89Å; F31-K151 HydrophobicContact CE2-CB 3.97Å; F31-K151 HydrophobicContact CG-CB 4.42Å; F31-K151 HydrophobicContact CZ-CB 3.98Å; F31-K151 HydrophobicContact CZ-CG 4.13Å; D122-K151 WeakPolarHBondContact OD2-CD 3.48Å; D122-K151 IonicContact OD2-NZ 2.73Å; S149-K151 PolarHBondContact O-N 2.97Å; S149-K151 PolarHBondContact OG-N 2.94Å
152T97.8Very high98.2Very high88 Ų8839.9 Ų39.954%0.5423%0.231SC..THydrogen-bonded Turntrans-99.8-2.9-176.162.70000113.4D122 S149 A154D122-T152 HydrophobicContact CB-CG2 3.92Å; S149-T152 WeakPolarHBondContact CB-OG1 3.38Å; S149-T152 PolarHBondContact O-N 2.96Å; S149-T152 PolarHBondContact OG-N 2.95Å; S149-T152 PolarHBondContact OG-OG1 3.06Å; T152-A154 PolarHBondContact O-N 2.85Å; T152-A154 WeakPolarHBondContact OG1-CB 3.46Å; T152-A154 PolarHBondContact OG1-N 3.08Å
153A98.2Very high98.3Very high42 Ų4236.6 Ų36.635%0.34720%0.196SC..  trans664-170.600000115.2Q25 S149 N155 V156Q25-A153 HydrophobicContact CG-CB 4.01Å; S149-A153 CarbonylContact O-C 3.58Å; S149-A153 VanDerWaalsContact O-CA 3.29Å; S149-A153 WeakPolarHBondContact O-CA 3.11Å; S149-A153 PolarHBondContact O-N 3.09Å; A153-N155 PolarHBondContact O-N 3.06Å; A153-V156 PolarHBondContact O-N 3.07Å
154A98.6Very high98.3Very high39 Ų3935.6 Ų35.632%0.32219%0.191SC..THydrogen-bonded Turntrans-56.9124.5179.200000110.9T148 S149 T152 V156T148-A154 WeakPolarHBondContact CA-O 3.43Å; S149-A154 PolarHBondContact N-O 3.01Å; S149-A154 PolarHBondContact O-N 3.07Å; T152-A154 PolarHBondContact O-N 2.85Å; T152-A154 WeakPolarHBondContact OG1-CB 3.46Å; T152-A154 PolarHBondContact OG1-N 3.08Å; A154-V156 PolarHBondContact O-N 3Å
155N98.5Very high98.3Very high70 Ų7037.7 Ų37.737%0.37420%0.198SC..THydrogen-bonded Turntrans59.98177.6-66.2-21.2000115.7M146 E147 T148 A153 E158 A159M146-N155 HydrophobicContact CG-CB 3.83Å; M146-N155 HydrophobicContact SD-CB 3.66Å; E147-N155 WeakPolarHBondContact O-CB 3.48Å; E147-N155 PolarHBondContact O-ND2 3.08Å; T148-N155 HydrophobicContact CG2-CB 3.95Å; A153-N155 PolarHBondContact O-N 3.06Å; N155-E158 VanDerWaalsContact C-OE2 3.25Å; N155-E158 WeakPolarHBondContact CA-OE2 3.46Å; N155-A159 WeakPolarHBondContact O-CB 3.28Å; N155-A159 PolarHBondContact O-N 3.37Å
156V98.5Very high98.2Very high2 Ų238 Ų381%0.01220%0.2CC..Hα-helixtrans-68.6-44.7-178176.70000110.1L22 Q25 F26 A153 A154 F160L22-V156 HydrophobicContact CD2-CG1 4.38Å; L22-V156 HydrophobicContact CD2-CG2 3.85Å; Q25-V156 HydrophobicContact CB-CG1 4.1Å; Q25-V156 HydrophobicContact CG-CB 4.25Å; Q25-V156 HydrophobicContact CG-CG1 3.99Å; Q25-V156 HydrophobicContact CG-CG2 4.07Å; F26-V156 HydrophobicContact CB-CG1 4.06Å; A153-V156 PolarHBondContact O-N 3.07Å; A154-V156 PolarHBondContact O-N 3Å; V156-F160 HydrophobicContact CG1-CE2 4.33Å; V156-F160 VanDerWaalsContact O-CD2 3.26Å; V156-F160 WeakPolarHBondContact O-CD2 3.46Å
157E97.8Very high98.1Very high60 Ų6036.5 Ų36.528%0.2819%0.193SC..Hα-helixtrans-68.7-42.1-178.7-176.3136.4-135.500111.6K29 R46 A159 F160 I161K29-E157 IonicContact NZ-OE1 2.74Å; K29-E157 IonicContact NZ-OE2 3.79Å; K29-E157 PolarHBondContact NZ-OE2 2.83Å; R46-E157 IonicContact CZ-OE1 2.72Å; R46-E157 VanDerWaalsContact CZ-OE1 3.23Å; R46-E157 IonicContact NH1-OE1 3.48Å; R46-E157 PolarHBondContact NH1-OE1 3.03Å; R46-E157 IonicContact NH2-OE1 3.52Å; R46-E157 PolarHBondContact NH2-OE1 3.28Å; E157-A159 PolarHBondContact O-N 3.36Å; E157-F160 PolarHBondContact O-N 2.78Å; E157-I161 HydrophobicContact CG-CD1 3.5Å; E157-I161 VanDerWaalsContact CG-CD1 3.5Å; E157-I161 HydrophobicContact CG-CG1 4.33Å; E157-I161 WeakPolarHBondContact O-CB 3.27Å; E157-I161 WeakPolarHBondContact O-CG1 3.22Å; E157-I161 PolarHBondContact O-N 3.39Å
158E98.4Very high98Very high85 Ų8536 Ų3640%0.39719%0.19SC..Hα-helixtrans-58.8-45.5177.9-6576.9-173.700111.2M146 N155 F160 I161 D162M146-E158 HydrophobicContact CE-CB 3.92Å; M146-E158 HydrophobicContact SD-CB 3.78Å; N155-E158 VanDerWaalsContact C-OE2 3.25Å; N155-E158 WeakPolarHBondContact CA-OE2 3.46Å; E158-F160 VanDerWaalsContact C-N 3.34Å; E158-F160 PolarHBondContact O-N 2.95Å; E158-I161 PolarHBondContact O-N 3.26Å; E158-D162 VanDerWaalsContact O-CB 3.3Å; E158-D162 WeakPolarHBondContact O-CB 3.28Å; E158-D162 PolarHBondContact O-N 2.93Å
159A98.6Very high97.9Very high1 Ų141 Ų411%0.00821%0.209CC..Hα-helixtrans-57.8-43.3-18000000112.9I117 M146 T148 N155 E157 T163I117-A159 HydrophobicContact CD1-CB 3.9Å; M146-A159 HydrophobicContact SD-CB 3.97Å; T148-A159 HydrophobicContact CG2-CB 4.09Å; N155-A159 WeakPolarHBondContact O-CB 3.28Å; N155-A159 PolarHBondContact O-N 3.37Å; E157-A159 PolarHBondContact O-N 3.36Å; A159-T163 WeakPolarHBondContact O-CB 3.45Å; A159-T163 PolarHBondContact O-N 2.93Å; A159-T163 PolarHBondContact O-OG1 3.44Å
160F98.4Very high97.7Very high1 Ų142.9 Ų42.90%0.00422%0.217CC..Hα-helixtrans-75-41.4177.8-73.9-95.7000112.2Y9 I11 F26 L57 I59 L83 V156 E157 E158 A164Y9-F160 HydrophobicContact CD2-CD1 4.2Å; Y9-F160 HydrophobicContact CE2-CD1 4.42Å; I11-F160 HydrophobicContact CD1-CE1 4.28Å; I11-F160 HydrophobicContact CD1-CZ 4Å; F26-F160 HydrophobicContact CB-CD2 3.8Å; F26-F160 HydrophobicContact CB-CE2 3.57Å; F26-F160 HydrophobicContact CB-CG 4.4Å; F26-F160 HydrophobicContact CB-CZ 4.01Å; F26-F160 HydrophobicContact CD1-CB 4.38Å; F26-F160 AromaticContact CD1-CD1 3.82Å; F26-F160 HydrophobicContact CD1-CD1 3.82Å; F26-F160 HydrophobicContact CD1-CD2 4.12Å; F26-F160 HydrophobicContact CD1-CE1 4.07Å; F26-F160 HydrophobicContact CD1-CE2 4.35Å; F26-F160 AromaticContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CZ 4.32Å; F26-F160 HydrophobicContact CD2-CB 3.79Å; F26-F160 AromaticContact CD2-CD2 3.6Å; F26-F160 HydrophobicContact CD2-CD2 3.6Å; F26-F160 HydrophobicContact CD2-CE2 4.29Å; F26-F160 AromaticContact CD2-CG 3.73Å; F26-F160 HydrophobicContact CD2-CG 3.73Å; F26-F160 HydrophobicContact CE1-CB 4.06Å; F26-F160 AromaticContact CE1-CD1 3.93Å; F26-F160 HydrophobicContact CE1-CD1 3.93Å; F26-F160 AromaticContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE2-CB 3.45Å; F26-F160 VanDerWaalsContact CE2-CB 3.45Å; F26-F160 HydrophobicContact CE2-CD2 4.2Å; F26-F160 AromaticContact CE2-CG 3.89Å; F26-F160 HydrophobicContact CE2-CG 3.89Å; F26-F160 HydrophobicContact CG-CB 4.25Å; F26-F160 HydrophobicContact CG-CD1 4.13Å; F26-F160 AromaticContact CG-CD2 3.56Å; F26-F160 HydrophobicContact CG-CD2 3.56Å; F26-F160 HydrophobicContact CG-CE1 4.36Å; F26-F160 AromaticContact CG-CE2 3.83Å; F26-F160 HydrophobicContact CG-CE2 3.83Å; F26-F160 AromaticContact CG-CG 3.72Å; F26-F160 HydrophobicContact CG-CG 3.72Å; F26-F160 HydrophobicContact CG-CZ 4.22Å; F26-F160 HydrophobicContact CZ-CB 3.6Å; F26-F160 HydrophobicContact CZ-CD1 4.36Å; F26-F160 AromaticContact CZ-CG 4Å; F26-F160 HydrophobicContact CZ-CG 4Å; L57-F160 HydrophobicContact CD1-CB 4.4Å; I59-F160 HydrophobicContact CD1-CD1 3.79Å; I59-F160 HydrophobicContact CD1-CE1 3.6Å; I59-F160 HydrophobicContact CG1-CD1 4.44Å; I59-F160 HydrophobicContact CG1-CE1 4.19Å; I59-F160 HydrophobicContact CG2-CE1 4.15Å; L83-F160 HydrophobicContact CD1-CD1 3.78Å; L83-F160 HydrophobicContact CD1-CD2 4.13Å; L83-F160 HydrophobicContact CD1-CE1 3.37Å; L83-F160 HydrophobicContact CD1-CE2 3.78Å; L83-F160 HydrophobicContact CD1-CG 4.15Å; L83-F160 HydrophobicContact CD1-CZ 3.38Å; V156-F160 HydrophobicContact CG1-CE2 4.33Å; V156-F160 VanDerWaalsContact O-CD2 3.26Å; V156-F160 WeakPolarHBondContact O-CD2 3.46Å; E157-F160 PolarHBondContact O-N 2.78Å; E158-F160 VanDerWaalsContact C-N 3.34Å; E158-F160 PolarHBondContact O-N 2.95Å; F160-A164 PolarHBondContact O-N 2.79Å
161I98Very high97.5Very high37 Ų3743.4 Ų43.419%0.1922%0.219CC..Hα-helixtrans-69.3-43.3-177.6-70.7176.5000111.4I48 E157 E158 A164 K165I48-I161 HydrophobicContact CG2-CG1 4.46Å; E157-I161 HydrophobicContact CG-CD1 3.5Å; E157-I161 VanDerWaalsContact CG-CD1 3.5Å; E157-I161 HydrophobicContact CG-CG1 4.33Å; E157-I161 WeakPolarHBondContact O-CB 3.27Å; E157-I161 WeakPolarHBondContact O-CG1 3.22Å; E157-I161 PolarHBondContact O-N 3.39Å; E158-I161 PolarHBondContact O-N 3.26Å; I161-A164 CarbonylContact O-C 3.54Å; I161-A164 WeakPolarHBondContact O-CA 3.4Å; I161-A164 WeakPolarHBondContact O-CB 3.16Å; I161-A164 PolarHBondContact O-N 3.32Å; I161-K165 HydrophobicContact CG2-CD 4.3Å; I161-K165 HydrophobicContact CG2-CG 4.36Å; I161-K165 WeakPolarHBondContact O-CG 3.43Å; I161-K165 PolarHBondContact O-N 3.46Å
162D98.2Very high97.2Very high50 Ų5042.9 Ų42.927%0.26722%0.219SC..Hα-helixtrans-70.8-33.8-177.7-70.1-15000111.7M115 E158 A164 K165 E166M115-D162 HydrophobicContact CE-CB 4.26Å; E158-D162 VanDerWaalsContact O-CB 3.3Å; E158-D162 WeakPolarHBondContact O-CB 3.28Å; E158-D162 PolarHBondContact O-N 2.93Å; D162-A164 PolarHBondContact O-N 2.95Å; D162-K165 PolarHBondContact O-N 3.26Å; D162-K165 IonicContact OD1-NZ 2.61Å; D162-K165 PolarHBondContact OD1-NZ 2.79Å; D162-E166 PolarHBondContact O-N 3.02Å
163T98.4Very high97.1Very high0 Ų043.9 Ų43.90%022%0.217CC..Hα-helixtrans-57.9-40.1166.9-54.10000110.7Y9 L83 V113 M115 A159 E166 I167Y9-T163 HydrophobicContact CE1-CG2 4.48Å; Y9-T163 HydrophobicContact CE2-CG2 3.72Å; Y9-T163 WeakPolarHBondContact OH-CB 3.38Å; Y9-T163 VanDerWaalsContact OH-CG2 3.3Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.42Å; Y9-T163 PolarHBondContact OH-O 2.88Å; L83-T163 HydrophobicContact CD2-CG2 4.37Å; V113-T163 HydrophobicContact CG1-CG2 3.99Å; M115-T163 VanDerWaalsContact CB-OG1 3.31Å; M115-T163 WeakPolarHBondContact CB-OG1 3.49Å; A159-T163 WeakPolarHBondContact O-CB 3.45Å; A159-T163 PolarHBondContact O-N 2.93Å; A159-T163 PolarHBondContact O-OG1 3.44Å; T163-E166 PolarHBondContact O-N 3.04Å; T163-I167 HydrophobicContact CG2-CD1 4.38Å; T163-I167 WeakPolarHBondContact O-CG1 3.33Å; T163-I167 PolarHBondContact O-N 3.34Å; T163-I167 VanDerWaalsContact O-N 3.12Å
164A98.1Very high96.7Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-74.8-35.7-177.900000112.1F7 Y9 I48 I50 L57 F160 I161 D162 E166 I167 Y168F7-A164 HydrophobicContact CD2-CB 4.26Å; F7-A164 HydrophobicContact CE2-CB 4.39Å; Y9-A164 WeakPolarHBondContact OH-CA 3.32Å; Y9-A164 VanDerWaalsContact OH-CB 3.25Å; Y9-A164 WeakPolarHBondContact OH-CB 3.26Å; Y9-A164 PolarHBondContact OH-N 2.67Å; I48-A164 HydrophobicContact CD1-CB 3.51Å; I50-A164 VanDerWaalsContact CD1-C 3.49Å; I50-A164 HydrophobicContact CD1-CB 3.52Å; L57-A164 HydrophobicContact CD2-CB 4.12Å; F160-A164 PolarHBondContact O-N 2.79Å; I161-A164 CarbonylContact O-C 3.54Å; I161-A164 WeakPolarHBondContact O-CA 3.4Å; I161-A164 WeakPolarHBondContact O-CB 3.16Å; I161-A164 PolarHBondContact O-N 3.32Å; D162-A164 PolarHBondContact O-N 2.95Å; A164-E166 VanDerWaalsContact C-N 3.33Å; A164-I167 PolarHBondContact O-N 3.48Å; A164-Y168 VanDerWaalsContact O-CB 3.29Å; A164-Y168 WeakPolarHBondContact O-CB 3.4Å; A164-Y168 PolarHBondContact O-N 3.14Å
165K97.8Very high96.3Very high99 Ų9945.7 Ų45.743%0.4323%0.232SC..Hα-helixtrans-61.5-42.4172.3-71.6176-171.5152.30111.1I50 I161 D162 Y168 R169I50-K165 HydrophobicContact CD1-CB 4.43Å; I50-K165 HydrophobicContact CD1-CG 3.8Å; I50-K165 HydrophobicContact CG1-CG 4.31Å; I50-K165 HydrophobicContact CG2-CG 4.14Å; I161-K165 HydrophobicContact CG2-CD 4.3Å; I161-K165 HydrophobicContact CG2-CG 4.36Å; I161-K165 WeakPolarHBondContact O-CG 3.43Å; I161-K165 PolarHBondContact O-N 3.46Å; D162-K165 PolarHBondContact O-N 3.26Å; D162-K165 IonicContact OD1-NZ 2.61Å; D162-K165 PolarHBondContact OD1-NZ 2.79Å; K165-Y168 PolarHBondContact O-N 2.96Å; K165-R169 WeakPolarHBondContact O-CB 3.22Å; K165-R169 PolarHBondContact O-N 2.93Å
166E97.3Very high95.7Very high45 Ų4542.6 Ų42.621%0.2122%0.215CC..Hα-helixtrans-66.5-41.9178.5176.861.5-168.400112.2V113 I144 D162 T163 A164 Y168 R169 K170V113-E166 HydrophobicContact CB-CG 4.33Å; V113-E166 HydrophobicContact CG1-CB 3.92Å; V113-E166 HydrophobicContact CG1-CG 3.58Å; V113-E166 HydrophobicContact CG2-CB 4.42Å; V113-E166 HydrophobicContact CG2-CG 3.72Å; I144-E166 HydrophobicContact CD1-CB 3.86Å; I144-E166 HydrophobicContact CD1-CG 3.99Å; D162-E166 PolarHBondContact O-N 3.02Å; T163-E166 PolarHBondContact O-N 3.04Å; A164-E166 VanDerWaalsContact C-N 3.33Å; E166-Y168 VanDerWaalsContact C-N 3.31Å; E166-Y168 PolarHBondContact O-N 3.21Å; E166-R169 PolarHBondContact O-N 3.48Å; E166-R169 IonicContact OE1-CZ 3.58Å; E166-R169 IonicContact OE1-NE 2.71Å; E166-R169 IonicContact OE1-NH2 3.87Å; E166-R169 PolarHBondContact OE1-NH2 3.4Å; E166-R169 IonicContact OE2-CZ 2.75Å; E166-R169 IonicContact OE2-NE 3.23Å; E166-R169 PolarHBondContact OE2-NE 3.28Å; E166-R169 IonicContact OE2-NH2 3.55Å; E166-R169 PolarHBondContact OE2-NH2 3.09Å; E166-K170 WeakPolarHBondContact O-CG 3.41Å; E166-K170 PolarHBondContact O-N 2.87Å; E166-K170 WeakPolarHBondContact OE1-CE 3.27Å
167I96.7Very high95Very high0 Ų046.4 Ų46.40%024%0.235CC..Hα-helixtrans-60.7-45172.5-65.8166000110.3F7 Y9 A80 V113 T163 A164 R169 K170 I171 F176 I185F7-I167 HydrophobicContact CD1-CG2 4.07Å; F7-I167 HydrophobicContact CD2-CB 4.22Å; F7-I167 HydrophobicContact CD2-CD1 4.27Å; F7-I167 HydrophobicContact CD2-CG2 3.95Å; F7-I167 HydrophobicContact CE1-CG2 3.86Å; F7-I167 HydrophobicContact CE2-CB 3.96Å; F7-I167 HydrophobicContact CE2-CG2 3.71Å; F7-I167 HydrophobicContact CG-CG2 4.14Å; F7-I167 HydrophobicContact CZ-CB 4.35Å; F7-I167 HydrophobicContact CZ-CG2 3.68Å; Y9-I167 HydrophobicContact CD1-CD1 4.41Å; Y9-I167 HydrophobicContact CE1-CD1 3.39Å; A80-I167 HydrophobicContact CB-CD1 4.03Å; A80-I167 HydrophobicContact CB-CG2 4.31Å; A80-I167 WeakPolarHBondContact O-CD1 3.22Å; V113-I167 HydrophobicContact CB-CD1 4.39Å; V113-I167 HydrophobicContact CB-CG1 3.71Å; V113-I167 HydrophobicContact CG1-CG1 4.45Å; V113-I167 HydrophobicContact CG2-CB 4.44Å; V113-I167 HydrophobicContact CG2-CG1 3.5Å; T163-I167 HydrophobicContact CG2-CD1 4.38Å; T163-I167 WeakPolarHBondContact O-CG1 3.33Å; T163-I167 PolarHBondContact O-N 3.34Å; T163-I167 VanDerWaalsContact O-N 3.12Å; A164-I167 PolarHBondContact O-N 3.48Å; I167-R169 PolarHBondContact O-N 2.93Å; I167-K170 PolarHBondContact O-N 2.73Å; I167-I171 HydrophobicContact CG2-CD1 4.22Å; I167-I171 WeakPolarHBondContact O-CG1 3.28Å; I167-I171 PolarHBondContact O-N 3.09Å; I167-F176 HydrophobicContact CG2-CD2 4.48Å; I167-F176 HydrophobicContact CG2-CE2 4.1Å; I167-I185 HydrophobicContact CG2-CD1 4.02Å; I167-I185 HydrophobicContact CG2-CG1 4.27Å
168Y96.2Very high94.3Very high15 Ų1546 Ų466%0.05924%0.235CC..Hα-helixtrans-62.5-41.9179.1-177-110.2000112.2Y5 I50 D51 K53 I55 A164 K165 E166 I171 Q172Y5-Y168 HydrophobicContact CD2-CD2 4.41Å; Y5-Y168 HydrophobicContact CD2-CE2 4.31Å; Y5-Y168 HydrophobicContact CE2-CD2 4.23Å; Y5-Y168 AromaticContact CE2-CE2 3.77Å; Y5-Y168 HydrophobicContact CE2-CE2 3.77Å; I50-Y168 HydrophobicContact CG2-CD1 3.76Å; I50-Y168 HydrophobicContact CG2-CE1 4.3Å; I50-Y168 HydrophobicContact CG2-CG 4.21Å; D51-Y168 HydrophobicContact CB-CE1 4.23Å; D51-Y168 WeakPolarHBondContact OD2-CE1 2.99Å; K53-Y168 HydrophobicContact CD-CE2 3.9Å; K53-Y168 WeakPolarHBondContact CD-OH 3.43Å; K53-Y168 WeakPolarHBondContact CE-OH 3.5Å; K53-Y168 PolarHBondContact NZ-OH 2.81Å; I55-Y168 HydrophobicContact CD1-CD2 4.27Å; A164-Y168 VanDerWaalsContact O-CB 3.29Å; A164-Y168 WeakPolarHBondContact O-CB 3.4Å; A164-Y168 PolarHBondContact O-N 3.14Å; K165-Y168 PolarHBondContact O-N 2.96Å; E166-Y168 VanDerWaalsContact C-N 3.31Å; E166-Y168 PolarHBondContact O-N 3.21Å; Y168-I171 WeakPolarHBondContact O-CB 3.35Å; Y168-I171 PolarHBondContact O-N 2.66Å; Y168-I171 VanDerWaalsContact O-N 3.17Å; Y168-Q172 HydrophobicContact CD1-CG 4.48Å; Y168-Q172 HydrophobicContact CE1-CG 4.11Å; Y168-Q172 WeakPolarHBondContact O-CG 3.23Å; Y168-Q172 PolarHBondContact O-N 3.32Å
169R96Very high93.6Very high104 Ų10447.9 Ų47.939%0.39225%0.247SC..Hα-helixtrans-57.4-49.4172.8-173.2-172.870.683.44.4111.2K165 E166 I167 I171 Q172 E173K165-R169 WeakPolarHBondContact O-CB 3.22Å; K165-R169 PolarHBondContact O-N 2.93Å; E166-R169 PolarHBondContact O-N 3.48Å; E166-R169 IonicContact OE1-CZ 3.58Å; E166-R169 IonicContact OE1-NE 2.71Å; E166-R169 IonicContact OE1-NH2 3.87Å; E166-R169 PolarHBondContact OE1-NH2 3.4Å; E166-R169 IonicContact OE2-CZ 2.75Å; E166-R169 IonicContact OE2-NE 3.23Å; E166-R169 PolarHBondContact OE2-NE 3.28Å; E166-R169 IonicContact OE2-NH2 3.55Å; E166-R169 PolarHBondContact OE2-NH2 3.09Å; I167-R169 PolarHBondContact O-N 2.93Å; R169-I171 VanDerWaalsContact C-N 3.25Å; R169-I171 PolarHBondContact O-N 2.68Å; R169-Q172 WeakPolarHBondContact O-CB 3.42Å; R169-Q172 PolarHBondContact O-N 2.86Å; R169-E173 IonicContact CZ-OE1 3.97Å; R169-E173 IonicContact CZ-OE2 2.85Å; R169-E173 IonicContact NH1-OE1 2.62Å; R169-E173 PolarHBondContact NH1-OE1 2.98Å; R169-E173 IonicContact NH1-OE2 2.68Å; R169-E173 PolarHBondContact NH1-OE2 3.1Å; R169-E173 IonicContact NH2-OE2 2.98Å; R169-E173 WeakPolarHBondContact O-CG 3.32Å; R169-E173 PolarHBondContact O-N 3.48Å
170K95Very high92.9Very high39 Ų3951.3 Ų51.317%0.1727%0.265CS..Hα-helixtrans-60-32.1176.2-74.5-171.8-178-171.60113.3N111 V113 E166 I167 G174 V175 F176N111-K170 PolarHBondContact O-NZ 2.75Å; V113-K170 HydrophobicContact CG2-CD 3.84Å; E166-K170 WeakPolarHBondContact O-CG 3.41Å; E166-K170 PolarHBondContact O-N 2.87Å; E166-K170 WeakPolarHBondContact OE1-CE 3.27Å; I167-K170 PolarHBondContact O-N 2.73Å; K170-G174 PolarHBondContact O-N 3.13Å; K170-V175 HydrophobicContact CB-CB 4.1Å; K170-V175 HydrophobicContact CB-CG1 4.49Å; K170-V175 HydrophobicContact CD-CG1 4.38Å; K170-V175 HydrophobicContact CG-CB 4.5Å; K170-V175 WeakPolarHBondContact O-CB 3.47Å; K170-V175 PolarHBondContact O-N 3.13Å; K170-F176 HydrophobicContact CB-CD2 3.56Å; K170-F176 HydrophobicContact CB-CE2 3.67Å; K170-F176 HydrophobicContact CD-CD2 4.45Å; K170-F176 HydrophobicContact CD-CE2 3.8Å; K170-F176 HydrophobicContact CD-CZ 4.48Å; K170-F176 HydrophobicContact CG-CE2 4.39Å
171I92.9Very high91.9Very high15 Ų1557.3 Ų57.38%0.07729%0.293CS..Hα-helixtrans-67-45.6171.4-66.9165.5000110.7Y5 F7 I167 Y168 R169 E173 G174 F176 I178 I185Y5-I171 HydrophobicContact CD1-CD1 4.33Å; Y5-I171 HydrophobicContact CE1-CD1 4.46Å; Y5-I171 HydrophobicContact CE1-CG2 4.33Å; F7-I171 HydrophobicContact CE1-CD1 3.51Å; F7-I171 HydrophobicContact CZ-CD1 3.64Å; I167-I171 HydrophobicContact CG2-CD1 4.22Å; I167-I171 WeakPolarHBondContact O-CG1 3.28Å; I167-I171 PolarHBondContact O-N 3.09Å; Y168-I171 WeakPolarHBondContact O-CB 3.35Å; Y168-I171 PolarHBondContact O-N 2.66Å; Y168-I171 VanDerWaalsContact O-N 3.17Å; R169-I171 VanDerWaalsContact C-N 3.25Å; R169-I171 PolarHBondContact O-N 2.68Å; I171-E173 PolarHBondContact O-N 3.36Å; I171-G174 PolarHBondContact O-N 3.49Å; I171-F176 HydrophobicContact CG1-CB 3.98Å; I171-F176 HydrophobicContact CG1-CD2 4.11Å; I171-F176 HydrophobicContact CG1-CG 4.46Å; I171-I178 HydrophobicContact CG1-CG2 4.39Å; I171-I178 HydrophobicContact CG2-CG2 3.73Å; I171-I185 HydrophobicContact CD1-CD1 3.75Å; I171-I185 HydrophobicContact CD1-CG1 4.27Å; I171-I185 HydrophobicContact CD1-CG2 3.96Å; I171-I185 HydrophobicContact CG1-CD1 3.82Å
172Q92.9Very high91.2Very high109 Ų10957.5 Ų57.551%0.50930%0.301SS..Hα-helixtrans-63.5-31.4178.7-61.1-45.7-72.700112.2Y168 R169 G174Y168-Q172 HydrophobicContact CD1-CG 4.48Å; Y168-Q172 HydrophobicContact CE1-CG 4.11Å; Y168-Q172 WeakPolarHBondContact O-CG 3.23Å; Y168-Q172 PolarHBondContact O-N 3.32Å; R169-Q172 WeakPolarHBondContact O-CB 3.42Å; R169-Q172 PolarHBondContact O-N 2.86Å; Q172-G174 VanDerWaalsContact C-N 3.26Å; Q172-G174 PolarHBondContact O-N 3.05Å
173E94.2Very high90.7Very high108 Ų10855.4 Ų55.451%0.50529%0.29SS..THydrogen-bonded Turntrans-80.8-2.2176-69.6172.6-177.400113.8R169 I171 V175R169-E173 IonicContact CZ-OE1 3.97Å; R169-E173 IonicContact CZ-OE2 2.85Å; R169-E173 IonicContact NH1-OE1 2.62Å; R169-E173 PolarHBondContact NH1-OE1 2.98Å; R169-E173 IonicContact NH1-OE2 2.68Å; R169-E173 PolarHBondContact NH1-OE2 3.1Å; R169-E173 IonicContact NH2-OE2 2.98Å; R169-E173 WeakPolarHBondContact O-CG 3.32Å; R169-E173 PolarHBondContact O-N 3.48Å; I171-E173 PolarHBondContact O-N 3.36Å; E173-V175 VanDerWaalsContact C-N 3.25Å; E173-V175 HydrophobicContact CB-CG2 4.1Å; E173-V175 PolarHBondContact O-N 3.38Å
174G91.3Very high90Very high61 Ų6155.7 Ų55.763%0.62929%0.292SS*.THydrogen-bonded Turntrans72.912.6-179.800000114.7K170 I171 Q172 F176K170-G174 PolarHBondContact O-N 3.13Å; I171-G174 PolarHBondContact O-N 3.49Å; Q172-G174 VanDerWaalsContact C-N 3.26Å; Q172-G174 PolarHBondContact O-N 3.05Å; G174-F176 VanDerWaalsContact C-N 3.33Å
175V90.2Very high89.6Confident58 Ų5855.7 Ų55.735%0.35229%0.293SS..  trans-69-34.3177.11770000111.1N111 K170 E173N111-V175 HydrophobicContact CB-CG1 4.12Å; N111-V175 PolarHBondContact ND2-O 3.05Å; K170-V175 HydrophobicContact CB-CB 4.1Å; K170-V175 HydrophobicContact CB-CG1 4.49Å; K170-V175 HydrophobicContact CD-CG1 4.38Å; K170-V175 HydrophobicContact CG-CB 4.5Å; K170-V175 WeakPolarHBondContact O-CB 3.47Å; K170-V175 PolarHBondContact O-N 3.13Å; E173-V175 VanDerWaalsContact C-N 3.25Å; E173-V175 HydrophobicContact CB-CG2 4.1Å; E173-V175 PolarHBondContact O-N 3.38Å
176F85.1Confident89.2Confident6 Ų655.3 Ų55.33%0.02629%0.291CS..SBendtrans-98.6120.4172.7-75.6-67000110.9N111 I167 K170 I171 G174 I178 N183 I185N111-F176 HydrophobicContact CB-CD1 4.13Å; N111-F176 HydrophobicContact CB-CE1 3.58Å; N111-F176 HydrophobicContact CB-CZ 3.86Å; N111-F176 WeakPolarHBondContact O-CZ 3.42Å; I167-F176 HydrophobicContact CG2-CD2 4.48Å; I167-F176 HydrophobicContact CG2-CE2 4.1Å; K170-F176 HydrophobicContact CB-CD2 3.56Å; K170-F176 HydrophobicContact CB-CE2 3.67Å; K170-F176 HydrophobicContact CD-CD2 4.45Å; K170-F176 HydrophobicContact CD-CE2 3.8Å; K170-F176 HydrophobicContact CD-CZ 4.48Å; K170-F176 HydrophobicContact CG-CE2 4.39Å; I171-F176 HydrophobicContact CG1-CB 3.98Å; I171-F176 HydrophobicContact CG1-CD2 4.11Å; I171-F176 HydrophobicContact CG1-CG 4.46Å; G174-F176 VanDerWaalsContact C-N 3.33Å; F176-I178 PolarHBondContact O-N 3.27Å; F176-N183 HydrophobicContact CD1-CB 3.85Å; F176-N183 HydrophobicContact CE1-CB 4.33Å; F176-I185 HydrophobicContact CB-CD1 3.64Å; F176-I185 HydrophobicContact CD1-CD1 3.7Å; F176-I185 HydrophobicContact CD2-CD1 3.66Å; F176-I185 HydrophobicContact CE1-CD1 4.19Å; F176-I185 HydrophobicContact CE2-CD1 4.16Å; F176-I185 HydrophobicContact CG-CD1 3.4Å; F176-I185 HydrophobicContact CZ-CD1 4.39Å
177D83.4Confident88.8Confident82 Ų8255.5 Ų55.544%0.43929%0.293SS..  trans-72.9107.7162.1179.29000109.2N179 N180 N183D177-N179 PolarHBondContact O-N 2.75Å; D177-N179 WeakPolarHBondContact OD1-CB 3.2Å; D177-N179 PolarHBondContact OD1-N 3.14Å; D177-N179 PolarHBondContact OD1-ND2 3.27Å; D177-N180 HydrophobicContact CB-CB 4.18Å; D177-N180 PolarHBondContact O-N 3.07Å; D177-N180 VanDerWaalsContact O-N 3.16Å; D177-N183 PolarHBondContact N-ND2 3.25Å; D177-N183 PolarHBondContact O-ND2 3.29Å
178I83.4Confident88.2Confident51 Ų5155.6 Ų55.626%0.26229%0.294SS..THydrogen-bonded Turntrans-67.7-13.7-178.960.8-179.8000113.6Y5 I171 F176 I185 L187Y5-I178 HydrophobicContact CE1-CG2 4.45Å; I171-I178 HydrophobicContact CG1-CG2 4.39Å; I171-I178 HydrophobicContact CG2-CG2 3.73Å; F176-I178 PolarHBondContact O-N 3.27Å; I178-I185 HydrophobicContact CG2-CG2 4.46Å; I178-L187 HydrophobicContact CD1-CD1 4.11Å; I178-L187 HydrophobicContact CD1-CD2 4.21Å; I178-L187 HydrophobicContact CD1-CG 4.48Å; I178-L187 HydrophobicContact CG1-CD1 4.44Å
179N82.7Confident87.1Confident125 Ų12559.7 Ų59.767%0.66832%0.323SS*.THydrogen-bonded Turntrans-88.8-13.4176.2-54.8-66.9000112.3D177 E181D177-N179 PolarHBondContact O-N 2.75Å; D177-N179 WeakPolarHBondContact OD1-CB 3.2Å; D177-N179 PolarHBondContact OD1-N 3.14Å; D177-N179 PolarHBondContact OD1-ND2 3.27Å; N179-E181 PolarHBondContact O-N 3.28Å
180N84.8Confident85.5Confident72 Ų7261.8 Ų61.839%0.38534%0.337SS..  trans-92100.7177.7-174.3-6.8000110.4D177 A182 N183D177-N180 HydrophobicContact CB-CB 4.18Å; D177-N180 PolarHBondContact O-N 3.07Å; D177-N180 VanDerWaalsContact O-N 3.16Å; N180-A182 PolarHBondContact O-N 3.14Å; N180-A182 WeakPolarHBondContact OD1-CB 3.32Å; N180-A182 PolarHBondContact OD1-N 3.16Å; N180-N183 VanDerWaalsContact O-CB 3.32Å; N180-N183 WeakPolarHBondContact O-CB 3.46Å; N180-N183 PolarHBondContact O-N 3.45Å
181E78.4Confident83.7Confident127 Ų12764.6 Ų64.659%0.59335%0.35SS*.G310 helixtrans-57.8-21.2179.3-63.8-153.6144.600113.8N179 N183 G184 K186N179-E181 PolarHBondContact O-N 3.28Å; E181-N183 PolarHBondContact O-N 3.31Å; E181-N183 VanDerWaalsContact O-N 3.1Å; E181-G184 PolarHBondContact O-N 2.74Å; E181-G184 VanDerWaalsContact O-N 3.13Å; E181-K186 IonicContact OE1-NZ 2.82Å; E181-K186 PolarHBondContact OE1-NZ 3.45Å; E181-K186 IonicContact OE2-NZ 3.62Å; E181-K186 PolarHBondContact OE2-NZ 3.13Å; E181-K186 VanDerWaalsContact OE2-NZ 3.11Å
182A82.7Confident81.4Confident42 Ų4268.4 Ų68.435%0.34738%0.378SS..G310 helixtrans-65-10.9175.800000113.3G78 N180G78-A182 WeakPolarHBondContact CA-O 3.3Å; N180-A182 PolarHBondContact O-N 3.14Å; N180-A182 WeakPolarHBondContact OD1-CB 3.32Å; N180-A182 PolarHBondContact OD1-N 3.16Å
183N86.4Confident79.1Confident5 Ų569 Ų693%0.02739%0.392CS..G310 helixtrans-84.4-7.8176.3-66.1-16.7000113.5A80 N109 F176 D177 N180 E181 I185A80-N183 WeakPolarHBondContact CA-O 3.32Å; A80-N183 WeakPolarHBondContact CB-O 3.38Å; N109-N183 PolarHBondContact ND2-OD1 2.8Å; F176-N183 HydrophobicContact CD1-CB 3.85Å; F176-N183 HydrophobicContact CE1-CB 4.33Å; D177-N183 PolarHBondContact N-ND2 3.25Å; D177-N183 PolarHBondContact O-ND2 3.29Å; N180-N183 VanDerWaalsContact O-CB 3.32Å; N180-N183 WeakPolarHBondContact O-CB 3.46Å; N180-N183 PolarHBondContact O-N 3.45Å; E181-N183 PolarHBondContact O-N 3.31Å; E181-N183 VanDerWaalsContact O-N 3.1Å; N183-I185 PolarHBondContact O-N 3.48Å
184G84.9Confident76.5Confident6 Ų667.1 Ų67.16%0.06240%0.401CS..SBendtrans7413.4-179.400000115.6K8 G78 E181K8-G184 PolarHBondContact N-O 2.73Å; G78-G184 WeakPolarHBondContact O-CA 3.43Å; E181-G184 PolarHBondContact O-N 2.74Å; E181-G184 VanDerWaalsContact O-N 3.13Å
185I88.3Confident74Confident1 Ų170.2 Ų70.21%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-112.5127.3176.7-62.6156.4000107.2Y5 L6 F7 A80 I167 I171 F176 I178 N183Y5-I185 HydrophobicContact CD1-CG2 4.05Å; L6-I185 WeakPolarHBondContact O-CA 3.16Å; F7-I185 HydrophobicContact CD1-CB 4.39Å; F7-I185 HydrophobicContact CD1-CG1 3.84Å; F7-I185 HydrophobicContact CD1-CG2 4.15Å; F7-I185 HydrophobicContact CE1-CG1 4.01Å; F7-I185 HydrophobicContact CE1-CG2 3.91Å; A80-I185 HydrophobicContact CB-CD1 4.47Å; A80-I185 HydrophobicContact CB-CG1 3.86Å; I167-I185 HydrophobicContact CG2-CD1 4.02Å; I167-I185 HydrophobicContact CG2-CG1 4.27Å; I171-I185 HydrophobicContact CD1-CD1 3.75Å; I171-I185 HydrophobicContact CD1-CG1 4.27Å; I171-I185 HydrophobicContact CD1-CG2 3.96Å; I171-I185 HydrophobicContact CG1-CD1 3.82Å; F176-I185 HydrophobicContact CB-CD1 3.64Å; F176-I185 HydrophobicContact CD1-CD1 3.7Å; F176-I185 HydrophobicContact CD2-CD1 3.66Å; F176-I185 HydrophobicContact CE1-CD1 4.19Å; F176-I185 HydrophobicContact CE2-CD1 4.16Å; F176-I185 HydrophobicContact CG-CD1 3.4Å; F176-I185 HydrophobicContact CZ-CD1 4.39Å; I178-I185 HydrophobicContact CG2-CG2 4.46Å; N183-I185 PolarHBondContact O-N 3.48Å
186K90.2Very high71.8Confident90 Ų9073 Ų7339%0.39143%0.427SS..EExtended strand (participates in β ladder)trans-119.8136.9170.7-58.9-169-179.4-120.70110.5Y5 L6 E181Y5-K186 CarbonylContact C-O 3.51Å; Y5-K186 WeakPolarHBondContact CA-O 3.37Å; L6-K186 HydrophobicContact CB-CB 4.28Å; L6-K186 PolarHBondContact N-O 2.83Å; L6-K186 PolarHBondContact O-N 3.25Å; E181-K186 IonicContact OE1-NZ 2.82Å; E181-K186 PolarHBondContact OE1-NZ 3.45Å; E181-K186 IonicContact OE2-NZ 3.62Å; E181-K186 PolarHBondContact OE2-NZ 3.13Å; E181-K186 VanDerWaalsContact OE2-NZ 3.11Å
187L88.8Confident69.7Low50 Ų5080.3 Ų80.326%0.26247%0.466SS..EExtended strand (participates in β ladder)trans-67.5137.1168-72.2174.5000109.9Y5 I178 H191Y5-L187 HydrophobicContact CD1-CD2 3.9Å; Y5-L187 HydrophobicContact CE1-CD2 3.54Å; I178-L187 HydrophobicContact CD1-CD1 4.11Å; I178-L187 HydrophobicContact CD1-CD2 4.21Å; I178-L187 HydrophobicContact CD1-CG 4.48Å; I178-L187 HydrophobicContact CG1-CD1 4.44Å; L187-H191 HydrophobicContact CB-CB 4.09Å; L187-H191 HydrophobicContact CD1-CB 4.2Å; L187-H191 HydrophobicContact CD2-CB 4Å; L187-H191 HydrophobicContact CG-CB 4.33Å
188G83.6Confident67.8Low2 Ų281.6 Ų81.62%0.02148%0.482CS..  trans-73.6169.1175.500000113Y3 A4 Q190 H191Y3-G188 VanDerWaalsContact CE2-CA 3.42Å; Y3-G188 WeakPolarHBondContact O-CA 3.36Å; A4-G188 PolarHBondContact O-N 2.96Å; G188-Q190 PolarHBondContact O-N 3.11Å; G188-H191 PolarHBondContact O-N 3.04Å
189P74.8Confident66.1Low101 Ų10184.5 Ų84.566%0.65650%0.504SS*.THydrogen-bonded Turntrans-62.72.1-169.7-22.433.3000116.7
190Q61.6Low64Low148 Ų14882.3 Ų82.369%0.69251%0.511SS*.THydrogen-bonded Turntrans-109.90.4178.2-68-172.3-16.100113.8G188G188-Q190 PolarHBondContact O-N 3.11Å
191H56.6Low62.3Low98 Ų9884.2 Ų84.245%0.45453%0.53SS..  trans-111.913.2178.6-87.262.4000113.8L187 G188 P193L187-H191 HydrophobicContact CB-CB 4.09Å; L187-H191 HydrophobicContact CD1-CB 4.2Å; L187-H191 HydrophobicContact CD2-CB 4Å; L187-H191 HydrophobicContact CG-CB 4.33Å; G188-H191 PolarHBondContact O-N 3.04Å; H191-P193 WeakPolarHBondContact O-CD 3.07Å
192S44.4Very low60.6Low95 Ų9584.2 Ų84.266%0.66454%0.541SS*.SBendtrans-60.4119.3164.1-60.20000107.9G194S192-G194 PolarHBondContact O-N 3.25Å
193P44.9Very low58.7Low122 Ų12290.5 Ų90.579%0.79257%0.568SS**  trans-60.2115.2171.6-2.413.1000106.2H191 T195H191-P193 WeakPolarHBondContact O-CD 3.07Å; P193-T195 PolarHBondContact O-N 2.98Å; P193-T195 VanDerWaalsContact O-N 3.13Å
194G40.3Very low56.6Low67 Ų6794 Ų9469%0.69161%0.606SS**  trans-51.9123.6171.700000108S192S192-G194 PolarHBondContact O-N 3.25Å
195T38.1Very low54.7Low126 Ų126105.1 Ų105.177%0.77365%0.645SS**  trans-44.1126.6164.824.50000108.1P193 N197P193-T195 PolarHBondContact O-N 2.98Å; P193-T195 VanDerWaalsContact O-N 3.13Å; T195-N197 PolarHBondContact O-N 3.02Å
196P43.7Very low52.7Low116 Ų116111 Ų11175%0.75369%0.686SS**  trans-59.1118.9172.2-15.828.4000106.8S198P196-S198 VanDerWaalsContact C-N 3.33Å; P196-S198 PolarHBondContact O-N 3.21Å
197N41.9Very low50.5Low160 Ų160110.2 Ų110.286%0.85671%0.705SS**  trans-56.5103.3164.2-96.1-13.8000106.9T195T195-N197 PolarHBondContact O-N 3.02Å
198S43.8Very low48.5Very low109 Ų109117.4 Ų117.476%0.76274%0.737SS**PPolyproline II helixtrans-56.5126.5170.6-66.70000108.9P196 G200P196-S198 VanDerWaalsContact C-N 3.33Å; P196-S198 PolarHBondContact O-N 3.21Å; S198-G200 PolarHBondContact O-N 2.76Å
199P46.7Very low46.9Very low113 Ų113122.9 Ų122.973%0.73478%0.775SS**PPolyproline II helixtrans-65.3122.2174.5-15.428.8000109.2S201P199-S201 PolarHBondContact O-N 3.43Å; P199-S201 VanDerWaalsContact O-N 3.16Å
200G40.2Very low45.5Very low78 Ų78123.5 Ų123.580%0.80478%0.782SS**PPolyproline II helixtrans-53.5119.5171.400000110.5S198S198-G200 PolarHBondContact O-N 2.76Å
201S48.8Very low45Very low113 Ų113125.4 Ų125.479%0.7979%0.793SS**  trans-113.5115169.1-550000107.8P199P199-S201 PolarHBondContact O-N 3.43Å; P199-S201 VanDerWaalsContact O-N 3.16Å
202P43.1Very low44.4Very low127 Ų127126.4 Ų126.483%0.82581%0.809SS**  trans-108.3101.6159.130.6-17.5000108.3
203L42.4Very low44.5Very low173 Ų173131.7 Ų131.791%0.90684%0.844SS**  trans-135.190165.9-105.3147.1000107.7
204G41.4Very low44.5Very low80 Ų80132.2 Ų132.283%0.82585%0.846SS**  trans-140.478.7172.300000109.1
205R44.4Very low44.8Very low238 Ų238135.6 Ų135.690%0.89886%0.855SS**  trans-80.4116.5165.8-100-178.7165.7-176.5-3.4108.3
206S47.9Very low45.1Very low124 Ų124136.1 Ų136.187%0.86786%0.859SS**  trans166.4126.7139.254.70000110.1
207G42.4Very low45.2Very low75 Ų75137.3 Ų137.377%0.77387%0.865SS**  trans153102.6166.800000112.2
208Q46.8Very low45.4Very low200 Ų200135.9 Ų135.994%0.93587%0.866SS**  trans-61.4138.8-178.8-66.4156.5-4.200112.1
209S50.4Low45.5Very low117 Ų117137.7 Ų137.782%0.81887%0.873SS**  trans-153.9122.5150.761.40000110.1
210S44.9Very low45.4Very low115 Ų115139.4 Ų139.480%0.80488%0.883SS**  trans-54.7145.4173.758.40000113.2
211M51.5Low45.8Very low188 Ų188144.2 Ų144.293%0.92689%0.889SS**  trans-155133141-132.5160.6101.100111.9
212C45.5Very low45.6Very low118 Ų118146.8 Ų146.880%0.79790%0.897SS**  trans-64.5137175.9-590000112
213C46.6Very low45.8Very low206 Ų206148.5 Ų148.5100%1.39290%0.904SS**  178.10117.7-99.10000108.2

Retrieved 213 of 213 residues in 145.5 ms (Link to these results)

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