RAB2A_HUMAN Loading...

Ras-related protein Rab-2A

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between active GTP-bound and inactive GDP-bound states. In their active state, drive transport of vesicular carriers from donor organelles to acceptor organelles to regulate the membrane traffic that maintains organelle identity and morphology1. RAB2A regulates autophagy by promoting autophagosome-lysosome fusion via recruitment of the HOPS endosomal tethering complex; this process involves autophagosomal RAB2A and lysosomal RAB39A recruitment of HOPS subcomplexes VPS39-VPS11 and VPS41-VPS16-VPS18-VPS33A, respectively, which assemble into a functional complex to mediate membrane tethering and SNAREs-driven membrane fusion2. Required for protein transport from the endoplasmic reticulum to the Golgi complex. Regulates the compacted morphology of the Golgi3. Together with RAB2B, redundantly required for efficient autophagic flux4.

AlphaFold DB , UniProt , Accession P61019, Species HUMAN (Homo sapiens, Human), Gene RAB2A, Length 212 aa.

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

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
1M62.4Low91.5Very high205 Ų20533.1 Ų33.1100%1.0117%0.171SC*.  0129.30-65.6-176.2-148.400108.3M47M1-M47 HydrophobicContact SD-CG 4.37Å
2A85.8Confident91.9Very high43 Ų4330.4 Ų30.436%0.35516%0.157SC..  trans-83.1148.6177.800000110.9Q190A2-Q190 VanDerWaalsContact CB-CD 3.48Å; A2-Q190 HydrophobicContact CB-CG 3.76Å; A2-Q190 VanDerWaalsContact CB-NE2 3.32Å
3Y91.1Very high92.3Very high51 Ų5128.2 Ų28.220%0.215%0.146CC..  trans-133.7154.6175.850.6-92.4000108.9Y5 L6 Q54 K56 G188Y3-Y5 WeakPolarHBondContact CD2-O 3.44Å; Y3-L6 HydrophobicContact CD2-CB 4.14Å; Y3-L6 HydrophobicContact CE2-CB 3.66Å; Y3-L6 HydrophobicContact CE2-CD1 4.38Å; Y3-Q54 CarbonylContact C-O 3.55Å; Y3-Q54 WeakPolarHBondContact CA-O 3.15Å; Y3-Q54 WeakPolarHBondContact CB-O 2.96Å; Y3-K56 HydrophobicContact CD1-CB 4.03Å; Y3-K56 HydrophobicContact CD1-CD 4.12Å; Y3-K56 HydrophobicContact CD2-CB 4.44Å; Y3-K56 HydrophobicContact CE1-CD 3.99Å; Y3-K56 HydrophobicContact CG-CB 4Å; Y3-G188 VanDerWaalsContact CE2-CA 3.42Å; Y3-G188 CarbonylContact O-C 3.54Å; Y3-G188 VanDerWaalsContact O-CA 3.26Å; Y3-G188 WeakPolarHBondContact O-CA 3.49Å
4A92.3Very high92.5Very high6 Ų628 Ų285%0.0515%0.145CC..SBendtrans-80.6-41.9172.600000111K53 Q54 G188A4-K53 HydrophobicContact CB-CB 4.04Å; A4-K53 HydrophobicContact CB-CD 4.26Å; A4-K53 HydrophobicContact CB-CG 4.36Å; A4-Q54 PolarHBondContact N-O 3.12Å; A4-G188 PolarHBondContact O-N 3.03Å
5Y94.5Very high92.6Very high12 Ų1228.6 Ų28.65%0.04715%0.151CC..EExtended strand (participates in β ladder)trans-137.9152.6178.8-58.3-81.4000111.5Y3 F7 K53 I55 K56 Y168 I171 I185 K186 H191Y3-Y5 WeakPolarHBondContact CD2-O 3.44Å; Y5-F7 HydrophobicContact CG-CE1 4.15Å; Y5-K53 HydrophobicContact CE2-CD 4.18Å; Y5-I55 WeakPolarHBondContact O-CA 3.32Å; Y5-K56 PolarHBondContact O-N 3.21Å; Y5-Y168 HydrophobicContact CD2-CD2 4.38Å; Y5-Y168 HydrophobicContact CD2-CE2 4.33Å; Y5-Y168 HydrophobicContact CE2-CD2 4.28Å; Y5-Y168 AromaticContact CE2-CE2 3.88Å; Y5-Y168 HydrophobicContact CE2-CE2 3.88Å; Y5-I171 HydrophobicContact CD1-CD1 4.46Å; Y5-I171 HydrophobicContact CE1-CG2 4.39Å; Y5-I185 HydrophobicContact CD1-CG2 4.12Å; Y5-K186 CarbonylContact C-O 3.52Å; Y5-K186 WeakPolarHBondContact CA-O 3.44Å; Y5-H191 AromaticContact CE2-CD2 3.77Å; Y5-H191 AromaticContact CE2-NE2 3.69Å; Y5-H191 AromaticContact CZ-CD2 3.58Å; Y5-H191 AromaticContact CZ-NE2 3.52Å; Y5-H191 PolarHBondContact OH-NE2 2.79Å
6L95.6Very high92.7Very high11 Ų1127.8 Ų27.86%0.05815%0.151CC..EExtended strand (participates in β ladder)trans-117.4126.4166.6177.6163.2000108.2Y3 K56 Q58 I185 K186Y3-L6 HydrophobicContact CD2-CB 4.14Å; Y3-L6 HydrophobicContact CE2-CB 3.66Å; Y3-L6 HydrophobicContact CE2-CD1 4.38Å; L6-K56 CarbonylContact C-O 3.52Å; L6-K56 VanDerWaalsContact CA-O 3.25Å; L6-K56 WeakPolarHBondContact CA-O 3.46Å; L6-K56 HydrophobicContact CB-CB 4.41Å; L6-K56 HydrophobicContact CD1-CD 4.33Å; L6-K56 HydrophobicContact CG-CB 4.45Å; L6-Q58 HydrophobicContact CD1-CG 4.16Å; L6-Q58 HydrophobicContact CD2-CB 4.46Å; L6-Q58 HydrophobicContact CD2-CG 4.19Å; L6-Q58 HydrophobicContact CG-CG 4.17Å; L6-I185 WeakPolarHBondContact O-CA 3.16Å; L6-K186 HydrophobicContact CB-CB 4.26Å; L6-K186 PolarHBondContact N-O 3.28Å; L6-K186 PolarHBondContact O-N 2.9Å
7F96.8Very high92.9Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-111.2127.9175.7-59.4-20.8000110.3Y5 Y9 I55 K56 L57 Q58 A164 I167 I171 I185Y5-F7 HydrophobicContact CG-CE1 4.15Å; F7-Y9 HydrophobicContact CB-CD1 4.21Å; F7-Y9 HydrophobicContact CB-CE1 3.85Å; F7-I55 HydrophobicContact CD2-CG2 3.69Å; F7-I55 HydrophobicContact CE2-CD1 3.9Å; F7-I55 HydrophobicContact CE2-CG2 3.79Å; F7-I55 HydrophobicContact CG-CG2 4.08Å; F7-I55 HydrophobicContact CZ-CD1 4.04Å; F7-I55 HydrophobicContact CZ-CG2 4.24Å; F7-K56 PolarHBondContact N-O 3.4Å; F7-L57 HydrophobicContact CB-CD2 3.96Å; F7-L57 HydrophobicContact CD2-CD2 4.07Å; F7-L57 HydrophobicContact CG-CD2 4.44Å; F7-Q58 PolarHBondContact O-N 3.11Å; F7-A164 HydrophobicContact CD2-CB 4.29Å; F7-A164 HydrophobicContact CE2-CB 4.41Å; F7-I167 HydrophobicContact CD1-CG2 4.08Å; F7-I167 HydrophobicContact CD2-CB 4.2Å; F7-I167 HydrophobicContact CD2-CD1 4.29Å; F7-I167 HydrophobicContact CD2-CG2 3.91Å; F7-I167 HydrophobicContact CE1-CG2 3.88Å; F7-I167 HydrophobicContact CE2-CB 3.95Å; F7-I167 HydrophobicContact CE2-CG2 3.68Å; F7-I167 HydrophobicContact CG-CG2 4.12Å; F7-I167 HydrophobicContact CZ-CB 4.37Å; F7-I167 HydrophobicContact CZ-CG2 3.68Å; F7-I171 HydrophobicContact CE1-CD1 3.5Å; F7-I171 HydrophobicContact CZ-CD1 3.63Å; F7-I185 HydrophobicContact CD1-CB 4.42Å; F7-I185 HydrophobicContact CD1-CG1 3.88Å; F7-I185 HydrophobicContact CD1-CG2 4.16Å; F7-I185 HydrophobicContact CE1-CG1 4.05Å; F7-I185 HydrophobicContact CE1-CG2 3.93Å
8K96.7Very high93.1Very high35 Ų3525 Ų2515%0.15214%0.137CC..EExtended strand (participates in β ladder)trans-86.9121.7171.5175.3172.3156.7-164.40110Q58 Y75 R77 G78 A80 G81 G184K8-Q58 CarbonylContact C-O 3.56Å; K8-Q58 WeakPolarHBondContact CA-O 3.25Å; K8-Y75 VanDerWaalsContact CE-O 3.26Å; K8-Y75 WeakPolarHBondContact CE-O 3.47Å; K8-Y75 PolarHBondContact NZ-O 2.88Å; K8-R77 PolarHBondContact NZ-O 2.93Å; K8-G78 WeakPolarHBondContact CB-O 3.45Å; K8-G78 VanDerWaalsContact CD-O 3.26Å; K8-G78 WeakPolarHBondContact CD-O 3.39Å; K8-A80 PolarHBondContact O-N 2.72Å; K8-G81 PolarHBondContact O-N 3.29Å; K8-G184 PolarHBondContact N-O 3.42Å
9Y97.7Very high93.3Very high0 Ų024.2 Ų24.20%013%0.132CC..EExtended strand (participates in β ladder)trans-110.6152.4176.1-81.327.6000110.6F7 L57 Q58 I59 W60 G81 F160 T163 A164 I167F7-Y9 HydrophobicContact CB-CD1 4.21Å; F7-Y9 HydrophobicContact CB-CE1 3.85Å; Y9-L57 HydrophobicContact CE1-CD2 4Å; Y9-L57 HydrophobicContact CE2-CD1 4.17Å; Y9-Q58 PolarHBondContact N-O 3.46Å; Y9-I59 HydrophobicContact CD2-CG1 4.41Å; Y9-I59 HydrophobicContact CG-CG1 4.43Å; Y9-W60 PolarHBondContact O-N 3.41Å; Y9-G81 VanDerWaalsContact CA-O 3.27Å; Y9-G81 WeakPolarHBondContact CA-O 3.17Å; Y9-F160 HydrophobicContact CD2-CD1 4.17Å; Y9-F160 HydrophobicContact CE2-CD1 4.33Å; Y9-F160 PolarHBondContact OH-O 3.3Å; Y9-T163 HydrophobicContact CE1-CG2 4.35Å; Y9-T163 HydrophobicContact CE2-CG2 3.74Å; Y9-T163 WeakPolarHBondContact OH-CB 3.31Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.4Å; Y9-A164 WeakPolarHBondContact OH-CA 3.27Å; Y9-A164 WeakPolarHBondContact OH-CB 3.22Å; Y9-A164 PolarHBondContact OH-N 2.94Å; Y9-I167 HydrophobicContact CD1-CD1 4.4Å; Y9-I167 HydrophobicContact CE1-CD1 3.44Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.44Å
10I96.6Very high93.4Very high1 Ų124.2 Ų24.21%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-126.7146.616760.8178.6000109.4I12 W60 Y75 Y76 A79 G81 A82 L83 M112I10-I12 HydrophobicContact CD1-CG2 4.14Å; I10-I12 HydrophobicContact CG1-CG2 4.32Å; I10-W60 CarbonylContact C-O 3.6Å; I10-W60 WeakPolarHBondContact CA-O 3.19Å; I10-W60 HydrophobicContact CG2-CB 4.26Å; I10-Y75 WeakPolarHBondContact CG2-O 3.4Å; I10-Y76 HydrophobicContact CD1-CD1 3.16Å; I10-Y76 HydrophobicContact CD1-CE1 3.49Å; I10-Y76 VanDerWaalsContact CD1-CE1 3.49Å; I10-Y76 HydrophobicContact CD1-CG 4.26Å; I10-A79 HydrophobicContact CD1-CB 4.05Å; I10-A79 HydrophobicContact CG1-CB 4.14Å; I10-A79 HydrophobicContact CG2-CB 3.98Å; I10-G81 PolarHBondContact N-O 3.31Å; I10-G81 VanDerWaalsContact N-O 3.11Å; I10-A82 HydrophobicContact CD1-CB 3.99Å; I10-A82 HydrophobicContact CG1-CB 3.61Å; I10-A82 CarbonylContact O-C 3.54Å; I10-A82 WeakPolarHBondContact O-CA 3.11Å; I10-L83 PolarHBondContact O-N 2.84Å; I10-M112 HydrophobicContact CD1-SD 4.41Å
11I97.4Very high93.6Very high0 Ų024 Ų240%013%0.134CC..EExtended strand (participates in β ladder)trans-113.3121.2170.7-44.7-178000107.8K19 L23 I59 W60 T62 L83 V85 F160I11-K19 HydrophobicContact CB-CB 4.38Å; I11-K19 HydrophobicContact CG2-CB 3.63Å; I11-K19 HydrophobicContact CG2-CD 3.93Å; I11-K19 HydrophobicContact CG2-CG 3.76Å; I11-L23 HydrophobicContact CD1-CB 3.91Å; I11-I59 HydrophobicContact CD1-CG2 3.72Å; I11-I59 HydrophobicContact CG1-CG2 3.67Å; I11-W60 PolarHBondContact N-O 3.35Å; I11-T62 PolarHBondContact O-N 3.34Å; I11-T62 PolarHBondContact O-OG1 3.18Å; I11-L83 WeakPolarHBondContact CA-O 3.3Å; I11-L83 HydrophobicContact CD1-CD1 4.47Å; I11-L83 HydrophobicContact CG1-CB 4.37Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.09Å; I11-V85 HydrophobicContact CG2-CG2 3.63Å; I11-F160 HydrophobicContact CD1-CE1 4.3Å; I11-F160 HydrophobicContact CD1-CZ 4.02Å
12I96.2Very high95.2Very high1 Ų114.3 Ų14.31%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-128.3162.9-174.762.8176.4000111I10 K19 T72 Y76 L83 L84 V85 W100 A104I10-I12 HydrophobicContact CD1-CG2 4.14Å; I10-I12 HydrophobicContact CG1-CG2 4.32Å; I12-K19 VanDerWaalsContact C-CD 3.45Å; I12-T72 HydrophobicContact CG2-CG2 4.12Å; I12-Y76 HydrophobicContact CD1-CE1 3.89Å; I12-Y76 HydrophobicContact CG2-CE1 3.86Å; I12-L83 PolarHBondContact N-O 3.34Å; I12-L84 HydrophobicContact CD1-CB 4.45Å; I12-L84 HydrophobicContact CD1-CD1 3.98Å; I12-L84 HydrophobicContact CG1-CB 4.23Å; I12-L84 HydrophobicContact CG1-CD1 3.81Å; I12-V85 PolarHBondContact O-N 3.15Å; I12-W100 HydrophobicContact CB-CE3 4Å; I12-W100 HydrophobicContact CB-CZ3 4.22Å; I12-A104 HydrophobicContact CD1-CB 3.88Å
13G96.5Very high95.8Very high1 Ų112.7 Ų12.71%0.017%0.072CC..  trans129.4172.9-17600000112.1K19 G64 W100G13-K19 WeakPolarHBondContact O-CE 3.43Å; G13-K19 PolarHBondContact O-NZ 3.49Å; G13-G64 WeakPolarHBondContact O-CA 3.43Å; G13-W100 WeakPolarHBondContact O-CZ2 3.49Å
14D95.4Very high96Very high26 Ų2611.8 Ų11.814%0.1397%0.07CC..  trans-59.4163.7-171.9-82.714.4000114.3V17 K19 T93 H96 W100D14-V17 HydrophobicContact CB-CG1 3.72Å; D14-V17 WeakPolarHBondContact O-CG2 3.44Å; D14-K19 PolarHBondContact O-NZ 2.79Å; D14-T93 HydrophobicContact CB-CG2 3.92Å; D14-H96 IonicContact OD1-ND1 3.07Å; D14-H96 IonicContact OD2-CE1 3.4Å; D14-H96 IonicContact OD2-CG 2.7Å; D14-H96 IonicContact OD2-ND1 3.81Å; D14-H96 PolarHBondContact OD2-ND1 3.47Å; D14-W100 PolarHBondContact OD1-NE1 3.43Å
15T93.9Very high96.2Very high37 Ų3712.1 Ų12.123%0.2277%0.071CC..THydrogen-bonded Turntrans-63139.9171.2-60.50000110.5V17 L37 G64 Q65 R90T15-V17 VanDerWaalsContact C-N 3.27Å; T15-V17 PolarHBondContact O-N 3.44Å; T15-L37 HydrophobicContact CG2-CD2 3.39Å; T15-G64 PolarHBondContact N-O 3.38Å; T15-G64 VanDerWaalsContact N-O 3.13Å; T15-G64 PolarHBondContact OG1-O 3.1Å; T15-Q65 HydrophobicContact CG2-CG 4.39Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.26Å; T15-Q65 PolarHBondContact OG1-N 3.18Å; T15-Q65 VanDerWaalsContact OG1-N 3.16Å; T15-R90 PolarHBondContact O-NH1 2.74Å; T15-R90 PolarHBondContact O-NH2 2.95Å
16G93.9Very high96.4Very high15 Ų1511.6 Ų11.616%0.1557%0.069CC..THydrogen-bonded Turntrans76.81.9175.200000115.7G18 R90 K120G16-G18 PolarHBondContact O-N 3.17Å; G16-R90 PolarHBondContact O-NH2 3.2Å; G16-K120 WeakPolarHBondContact O-CE 3.27Å; G16-K120 PolarHBondContact O-NZ 2.86Å
17V96.8Very high96.4Very high0 Ų012.8 Ų12.80%08%0.077CC..SBendtrans-71.9-16.7176.4-56.30000113D14 T15 K19 V85 D87 T93 N119D14-V17 HydrophobicContact CB-CG1 3.72Å; D14-V17 WeakPolarHBondContact O-CG2 3.44Å; T15-V17 VanDerWaalsContact C-N 3.27Å; T15-V17 PolarHBondContact O-N 3.44Å; V17-K19 HydrophobicContact CG2-CD 4.28Å; V17-K19 HydrophobicContact CG2-CG 3.57Å; V17-V85 HydrophobicContact CB-CG1 4.22Å; V17-V85 HydrophobicContact CG2-CB 3.87Å; V17-V85 HydrophobicContact CG2-CG1 3.78Å; V17-D87 HydrophobicContact CB-CB 4.3Å; V17-D87 HydrophobicContact CG1-CB 4.12Å; V17-T93 HydrophobicContact CG1-CG2 3.87Å; V17-N119 PolarHBondContact O-ND2 2.91Å
18G96.4Very high96.3Very high6 Ų616.4 Ų16.46%0.06210%0.096CC..SBendtrans102.525.6174.800000115.5G16 C21 L22G16-G18 PolarHBondContact O-N 3.17Å; G18-C21 PolarHBondContact O-N 2.84Å; G18-L22 WeakPolarHBondContact O-CG 3.46Å; G18-L22 PolarHBondContact O-N 2.81Å
19K96.6Very high96.2Very high9 Ų920 Ų204%0.03911%0.112CC..Hα-helixtrans-55.1-54.2177.8-56.4-169.6-60-75.10113.1I11 I12 G13 D14 V17 C21 L22 L23 D61 T62 V85I11-K19 HydrophobicContact CB-CB 4.38Å; I11-K19 HydrophobicContact CG2-CB 3.63Å; I11-K19 HydrophobicContact CG2-CD 3.93Å; I11-K19 HydrophobicContact CG2-CG 3.76Å; I12-K19 VanDerWaalsContact C-CD 3.45Å; G13-K19 WeakPolarHBondContact O-CE 3.43Å; G13-K19 PolarHBondContact O-NZ 3.49Å; D14-K19 PolarHBondContact O-NZ 2.79Å; V17-K19 HydrophobicContact CG2-CD 4.28Å; V17-K19 HydrophobicContact CG2-CG 3.57Å; K19-C21 VanDerWaalsContact C-N 3.31Å; K19-C21 PolarHBondContact O-N 3.06Å; K19-L22 WeakPolarHBondContact O-CB 3.39Å; K19-L22 PolarHBondContact O-N 2.67Å; K19-L22 VanDerWaalsContact O-N 3.13Å; K19-L23 PolarHBondContact O-N 3.01Å; K19-D61 WeakPolarHBondContact CB-OD1 3.38Å; K19-T62 WeakPolarHBondContact CE-O 3.48Å; K19-V85 HydrophobicContact CG-CB 4.21Å; K19-V85 HydrophobicContact CG-CG2 4.25Å
20S95.5Very high96Very high25 Ų2527.1 Ų27.118%0.17514%0.139CC..Hα-helixtrans-62.2-37.8177.2-37.80000112.1L22 L23 L24 T38 D61S20-L22 PolarHBondContact O-N 2.91Å; S20-L23 PolarHBondContact O-N 3.42Å; S20-L24 VanDerWaalsContact O-CB 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.47Å; S20-L24 PolarHBondContact O-N 3.12Å; S20-T38 PolarHBondContact OG-OG1 3.02Å; S20-D61 VanDerWaalsContact CA-OD2 3.25Å; S20-D61 WeakPolarHBondContact CA-OD2 3.43Å; S20-D61 WeakPolarHBondContact CB-OD2 3.34Å; S20-D61 PolarHBondContact N-OD2 3.12Å; S20-D61 PolarHBondContact OG-OD2 2.99Å
21C96.6Very high95.8Very high20 Ų2031 Ų3114%0.13516%0.156CC..Hα-helixtrans-65.5-38.1175.5-55.80000112.1G18 K19 Q25 F31 A150G18-C21 PolarHBondContact O-N 2.84Å; K19-C21 VanDerWaalsContact C-N 3.31Å; K19-C21 PolarHBondContact O-N 3.06Å; C21-Q25 WeakPolarHBondContact O-CB 3.36Å; C21-Q25 PolarHBondContact O-N 3.42Å; C21-F31 HydrophobicContact CB-CD2 4.37Å; C21-F31 HydrophobicContact CB-CE2 4.24Å; C21-A150 HydrophobicContact CB-CB 3.67Å
22L97.7Very high95.3Very high1 Ų135.3 Ų35.31%0.00518%0.176CC..Hα-helixtrans-65.6-45174.2-73.9169000111G18 K19 S20 Q25 F26 V85 I117 N119 A150 V156G18-L22 WeakPolarHBondContact O-CG 3.46Å; G18-L22 PolarHBondContact O-N 2.81Å; K19-L22 WeakPolarHBondContact O-CB 3.39Å; K19-L22 PolarHBondContact O-N 2.67Å; K19-L22 VanDerWaalsContact O-N 3.13Å; S20-L22 PolarHBondContact O-N 2.91Å; L22-Q25 PolarHBondContact O-N 3.4Å; L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 3.19Å; L22-V85 HydrophobicContact CD1-CG1 3.81Å; L22-V85 HydrophobicContact CD1-CG2 4.06Å; L22-I117 HydrophobicContact CD1-CD1 4.48Å; L22-I117 HydrophobicContact CD1-CG2 4.12Å; L22-N119 HydrophobicContact CD1-CB 4.33Å; L22-A150 HydrophobicContact CD2-CB 4Å; L22-A150 HydrophobicContact CG-CB 4.25Å; L22-V156 HydrophobicContact CD2-CG1 4.38Å; L22-V156 HydrophobicContact CD2-CG2 3.85Å
23L97.2Very high94.7Very high9 Ų940.3 Ų40.35%0.04721%0.208CC..Hα-helixtrans-58.1-51.7175.6178.858.3000111I11 K19 S20 Q25 F26 T27 I59 D61I11-L23 HydrophobicContact CD1-CB 3.91Å; K19-L23 PolarHBondContact O-N 3.01Å; S20-L23 PolarHBondContact O-N 3.42Å; L23-Q25 PolarHBondContact O-N 3.07Å; L23-F26 PolarHBondContact O-N 3.05Å; L23-F26 VanDerWaalsContact O-N 3.16Å; L23-T27 HydrophobicContact CD1-CG2 3.83Å; L23-T27 HydrophobicContact CG-CG2 4.46Å; L23-T27 WeakPolarHBondContact O-CG2 3.26Å; L23-T27 PolarHBondContact O-N 2.88Å; L23-T27 PolarHBondContact O-OG1 3.32Å; L23-I59 HydrophobicContact CD1-CB 3.83Å; L23-I59 HydrophobicContact CD1-CD1 3.84Å; L23-I59 HydrophobicContact CD1-CG1 4.46Å; L23-I59 HydrophobicContact CD1-CG2 3.72Å; L23-D61 HydrophobicContact CD2-CB 3.64Å
24L95.7Very high94Very high32 Ų3244.7 Ų44.717%0.16824%0.235CC..Hα-helixtrans-62.1-42-179.4-176.167.5000112.2S20 F26 T27 D28 K29 R30 Q32S20-L24 VanDerWaalsContact O-CB 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.47Å; S20-L24 PolarHBondContact O-N 3.12Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 2.89Å; L24-T27 PolarHBondContact O-N 2.86Å; L24-D28 HydrophobicContact CD1-CB 3.94Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.39Å; L24-D28 WeakPolarHBondContact O-CA 3.39Å; L24-D28 WeakPolarHBondContact O-CB 3.43Å; L24-D28 PolarHBondContact O-N 3.46Å; L24-K29 PolarHBondContact O-N 2.8Å; L24-R30 HydrophobicContact CD2-CB 4.32Å; L24-R30 HydrophobicContact CG-CB 4.23Å; L24-Q32 HydrophobicContact CD2-CB 3.88Å
25Q97.4Very high92.9Very high14 Ų1447.6 Ų47.67%0.06525%0.247CC..Hα-helixtrans-66.6-34.2177.4-175.565.4-73.700111.2C21 L22 L23 K29 R30 A150 A153 V156C21-Q25 WeakPolarHBondContact O-CB 3.36Å; C21-Q25 PolarHBondContact O-N 3.42Å; L22-Q25 PolarHBondContact O-N 3.4Å; L23-Q25 PolarHBondContact O-N 3.07Å; Q25-K29 WeakPolarHBondContact O-CA 3.16Å; Q25-K29 PolarHBondContact O-N 3.03Å; Q25-R30 VanDerWaalsContact CA-O 3.31Å; Q25-R30 WeakPolarHBondContact CA-O 3.39Å; Q25-R30 PolarHBondContact N-O 2.9Å; Q25-R30 VanDerWaalsContact OE1-N 3.15Å; Q25-A150 WeakPolarHBondContact CG-O 3.36Å; Q25-A150 PolarHBondContact NE2-O 3.19Å; Q25-A153 HydrophobicContact CG-CB 4.01Å; Q25-V156 HydrophobicContact CB-CG1 4.1Å; Q25-V156 HydrophobicContact CG-CB 4.24Å; Q25-V156 HydrophobicContact CG-CG1 4Å; Q25-V156 HydrophobicContact CG-CG2 4.04Å
26F97.6Very high92.2Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-71.8-45.7174.1179.8-110.8000112.5L22 L23 L24 R46 I48 L57 I59 V156 F160L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 3.19Å; L23-F26 PolarHBondContact O-N 3.05Å; L23-F26 VanDerWaalsContact O-N 3.16Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 2.89Å; F26-R46 HydrophobicContact CD1-CB 4.39Å; F26-R46 HydrophobicContact CE1-CB 3.69Å; F26-R46 HydrophobicContact CE1-CG 4.16Å; F26-R46 HydrophobicContact CZ-CB 4.23Å; F26-R46 HydrophobicContact CZ-CG 4.28Å; F26-R46 VanDerWaalsContact O-CD 3.29Å; F26-R46 WeakPolarHBondContact O-CD 3.43Å; F26-R46 PolarHBondContact O-NH1 3.08Å; F26-I48 HydrophobicContact CZ-CG2 3.96Å; F26-L57 HydrophobicContact CE1-CD1 4.09Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; F26-I59 HydrophobicContact CD1-CD1 3.76Å; F26-I59 HydrophobicContact CE1-CD1 3.74Å; F26-V156 HydrophobicContact CB-CG1 4.05Å; F26-F160 HydrophobicContact CB-CD2 3.83Å; F26-F160 HydrophobicContact CB-CE2 3.58Å; F26-F160 HydrophobicContact CB-CG 4.41Å; F26-F160 HydrophobicContact CB-CZ 3.99Å; F26-F160 HydrophobicContact CD1-CB 4.41Å; F26-F160 AromaticContact CD1-CD1 3.79Å; F26-F160 HydrophobicContact CD1-CD1 3.79Å; F26-F160 HydrophobicContact CD1-CD2 4.13Å; F26-F160 HydrophobicContact CD1-CE1 4.02Å; F26-F160 HydrophobicContact CD1-CE2 4.34Å; F26-F160 AromaticContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CZ 4.28Å; F26-F160 HydrophobicContact CD2-CB 3.82Å; F26-F160 AromaticContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CE2 4.3Å; F26-F160 AromaticContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CE1-CB 4.1Å; F26-F160 AromaticContact CE1-CD1 3.9Å; F26-F160 HydrophobicContact CE1-CD1 3.9Å; F26-F160 AromaticContact CE1-CG 3.98Å; F26-F160 HydrophobicContact CE1-CG 3.98Å; F26-F160 HydrophobicContact CE2-CB 3.5Å; F26-F160 VanDerWaalsContact CE2-CB 3.5Å; F26-F160 HydrophobicContact CE2-CD2 4.23Å; F26-F160 AromaticContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CG-CB 4.28Å; F26-F160 HydrophobicContact CG-CD1 4.11Å; F26-F160 AromaticContact CG-CD2 3.58Å; F26-F160 HydrophobicContact CG-CD2 3.58Å; F26-F160 HydrophobicContact CG-CE1 4.33Å; F26-F160 AromaticContact CG-CE2 3.83Å; F26-F160 HydrophobicContact CG-CE2 3.83Å; F26-F160 AromaticContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CZ 4.2Å; F26-F160 HydrophobicContact CZ-CB 3.65Å; F26-F160 HydrophobicContact CZ-CD1 4.34Å; F26-F160 HydrophobicContact CZ-CG 4.01Å
27T95.8Very high91.8Very high37 Ų3754.6 Ų54.623%0.22728%0.279CS..Hα-helixtrans-79.1-42.5-175.460.70000112.8L23 L24L23-T27 HydrophobicContact CD1-CG2 3.83Å; L23-T27 HydrophobicContact CG-CG2 4.46Å; L23-T27 WeakPolarHBondContact O-CG2 3.26Å; L23-T27 PolarHBondContact O-N 2.88Å; L23-T27 PolarHBondContact O-OG1 3.32Å; L24-T27 PolarHBondContact O-N 2.86Å
28D94.5Very high90.9Very high76 Ų7655.2 Ų55.241%0.40628%0.283SS..Hα-helixtrans-118.6-4.7-163.7-65.314.6000113.4L24 R30L24-D28 HydrophobicContact CD1-CB 3.94Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.39Å; L24-D28 WeakPolarHBondContact O-CA 3.39Å; L24-D28 WeakPolarHBondContact O-CB 3.43Å; L24-D28 PolarHBondContact O-N 3.46Å; D28-R30 HydrophobicContact CB-CB 4.43Å; D28-R30 HydrophobicContact CB-CG 4.34Å; D28-R30 PolarHBondContact O-N 2.86Å; D28-R30 IonicContact OD2-CZ 3.85Å; D28-R30 IonicContact OD2-NE 3.48Å; D28-R30 IonicContact OD2-NH2 2.84Å; D28-R30 PolarHBondContact OD2-NH2 3.49Å
29K95.4Very high90Very high110 Ų11061.5 Ų61.548%0.47831%0.314SS..SBendtrans56.737.6-175-54.3-65.6169.3-166.20112.8L24 Q25 E157L24-K29 PolarHBondContact O-N 2.8Å; Q25-K29 WeakPolarHBondContact O-CA 3.16Å; Q25-K29 PolarHBondContact O-N 3.03Å; K29-E157 IonicContact NZ-OE2 2.79Å; K29-E157 PolarHBondContact NZ-OE2 3.03Å
30R93.4Very high89Confident149 Ų14961.7 Ų61.756%0.56232%0.319SS*.  trans-125.7152179.9-67.1-174.4-63153.2-0.3111.4L24 Q25 D28L24-R30 HydrophobicContact CD2-CB 4.32Å; L24-R30 HydrophobicContact CG-CB 4.23Å; Q25-R30 VanDerWaalsContact CA-O 3.31Å; Q25-R30 WeakPolarHBondContact CA-O 3.39Å; Q25-R30 PolarHBondContact N-O 2.9Å; Q25-R30 VanDerWaalsContact OE1-N 3.15Å; D28-R30 HydrophobicContact CB-CB 4.43Å; D28-R30 HydrophobicContact CB-CG 4.34Å; D28-R30 PolarHBondContact O-N 2.86Å; D28-R30 IonicContact OD2-CZ 3.85Å; D28-R30 IonicContact OD2-NE 3.48Å; D28-R30 IonicContact OD2-NH2 2.84Å; D28-R30 PolarHBondContact OD2-NH2 3.49Å
31F91.1Very high88.5Confident83 Ų8362.1 Ų62.136%0.36432%0.32SS..  trans-119128.7171.8177.1-107.4000110C21 P33 A150 K151C21-F31 HydrophobicContact CB-CD2 4.37Å; C21-F31 HydrophobicContact CB-CE2 4.24Å; F31-P33 HydrophobicContact CD1-CB 4.49Å; F31-P33 HydrophobicContact CE1-CB 3.9Å; F31-A150 HydrophobicContact CD2-CB 4.22Å; F31-A150 WeakPolarHBondContact CD2-O 3.44Å; F31-A150 HydrophobicContact CE2-CB 4.3Å; F31-K151 HydrophobicContact CD1-CB 4.44Å; F31-K151 HydrophobicContact CD1-CG 4.11Å; F31-K151 HydrophobicContact CD2-CB 4.21Å; F31-K151 HydrophobicContact CE1-CB 4.22Å; F31-K151 HydrophobicContact CE1-CG 3.91Å; F31-K151 HydrophobicContact CE2-CB 3.98Å; F31-K151 HydrophobicContact CG-CB 4.43Å; F31-K151 HydrophobicContact CZ-CB 3.99Å; F31-K151 HydrophobicContact CZ-CG 4.15Å
32Q88.5Confident88.2Confident91 Ų9166 Ų6643%0.42534%0.336SS..  trans-104.4112.6174.6-174168.8-10.500109L24 D36L24-Q32 HydrophobicContact CD2-CB 3.88Å; Q32-D36 PolarHBondContact NE2-OD2 2.83Å
33P82.8Confident87.9Confident105 Ų10570.9 Ų70.968%0.68236%0.357SS*.  trans-77-24.6-17729.4-34.3000113F31F31-P33 HydrophobicContact CD1-CB 4.49Å; F31-P33 HydrophobicContact CE1-CB 3.9Å
34V81Confident87.8Confident93 Ų9370.9 Ų70.956%0.56436%0.36SS*.SBendtrans-80.8120.6177.9-177.50000108.3D36V34-D36 PolarHBondContact O-N 3.02Å
35H72.5Confident87.8Confident88 Ų8871.4 Ų71.441%0.40737%0.369SS..  trans-85.491.7177.8-171-97.2000109.5
36D80.2Confident87.8Confident106 Ų10673.6 Ų73.657%0.56738%0.377SS*.  trans-76.9134.5164-65.2-42.3000108.5Q32 V34 T38Q32-D36 PolarHBondContact NE2-OD2 2.83Å; V34-D36 PolarHBondContact O-N 3.02Å; D36-T38 PolarHBondContact O-N 2.93Å
37L84.7Confident87.7Confident92 Ų9275.9 Ų75.948%0.48239%0.388SS..  trans-67120.5176.2-71.3171.2000109.2T15 I39T15-L37 HydrophobicContact CG2-CD2 3.39Å; L37-I39 PolarHBondContact O-N 3.31Å; L37-I39 VanDerWaalsContact O-N 3.11Å
38T78.2Confident87.8Confident13 Ų1374.6 Ų74.68%0.0838%0.379CS..  trans-62.6113.6170.8-38.40000109.3S20 D36 E42 A63S20-T38 PolarHBondContact OG-OG1 3.02Å; D36-T38 PolarHBondContact O-N 2.93Å; T38-E42 HydrophobicContact CG2-CG 4.03Å; T38-A63 VanDerWaalsContact O-CB 3.27Å; T38-A63 WeakPolarHBondContact O-CB 3.43Å
39I77.9Confident87.9Confident138 Ų13874.9 Ų74.971%0.70838%0.384SS*.  trans-96.8117.3174.2-60.6175.8000107.8L37 V41 F68L37-I39 PolarHBondContact O-N 3.31Å; L37-I39 VanDerWaalsContact O-N 3.11Å; I39-V41 PolarHBondContact O-N 3.33Å; I39-F68 HydrophobicContact CG2-CZ 4.2Å
40G75.5Confident87.9Confident14 Ų1469.9 Ų69.914%0.14436%0.362CS..SBendtrans78-119.6-176.300000112.1A63G40-A63 WeakPolarHBondContact O-CB 3.34Å; G40-A63 PolarHBondContact O-N 3.39Å
41V84.3Confident87.9Confident33 Ų3369 Ų6920%0.237%0.369CS..EExtended strand (participates in β ladder)trans-143.4134.4-175.7-178.70000110.6I39 W60 D61 T62 I71 Y75I39-V41 PolarHBondContact O-N 3.33Å; V41-W60 HydrophobicContact CG1-CB 3.83Å; V41-W60 HydrophobicContact CG1-CD2 4.38Å; V41-W60 HydrophobicContact CG1-CE3 3.64Å; V41-D61 CarbonylContact C-O 3.5Å; V41-D61 VanDerWaalsContact CA-O 3.22Å; V41-D61 WeakPolarHBondContact CA-O 3.35Å; V41-D61 VanDerWaalsContact CG1-O 3.27Å; V41-D61 WeakPolarHBondContact CG1-O 3.16Å; V41-T62 HydrophobicContact CG1-CG2 4.49Å; V41-T62 HydrophobicContact CG2-CG2 4.23Å; V41-I71 HydrophobicContact CG2-CG2 3.93Å; V41-Y75 HydrophobicContact CB-CE1 4.44Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.31Å; V41-Y75 HydrophobicContact CG1-CE1 4.04Å; V41-Y75 HydrophobicContact CG1-CE2 4.36Å; V41-Y75 HydrophobicContact CG2-CD2 3.65Å; V41-Y75 HydrophobicContact CG2-CE1 4.44Å; V41-Y75 HydrophobicContact CG2-CE2 3.32Å; V41-Y75 HydrophobicContact CG2-CG 4.34Å
42E90.2Very high88Confident101 Ų10168.4 Ų68.447%0.47239%0.386SS..EExtended strand (participates in β ladder)trans-99.8149.2171.5-71.2-178.5-161.700110.9T38 W60 D61T38-E42 HydrophobicContact CG2-CG 4.03Å; E42-W60 CarbonylContact O-C 3.51Å; E42-W60 WeakPolarHBondContact O-CA 3.49Å; E42-D61 HydrophobicContact CB-CB 4.23Å; E42-D61 PolarHBondContact N-O 3Å; E42-D61 PolarHBondContact O-N 2.89Å
43F92.6Very high88.2Confident104 Ų10466.8 Ų66.846%0.45638%0.377SS..EExtended strand (participates in β ladder)trans-116.7127.8-178.4175-95.3000110.9A45 Q58 I59 W60F43-A45 HydrophobicContact CE1-CB 3.92Å; F43-A45 HydrophobicContact CZ-CB 3.87Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.92Å; F43-Q58 HydrophobicContact CZ-CB 4.29Å; F43-Q58 HydrophobicContact CZ-CG 3.88Å; F43-I59 WeakPolarHBondContact CA-O 3.29Å; F43-W60 HydrophobicContact CB-CE3 4.36Å; F43-W60 HydrophobicContact CB-CZ3 4.39Å; F43-W60 HydrophobicContact CD2-CD2 4.12Å; F43-W60 HydrophobicContact CD2-CE3 4.16Å; F43-W60 HydrophobicContact CD2-CH2 4.25Å; F43-W60 HydrophobicContact CD2-CZ2 4.13Å; F43-W60 HydrophobicContact CD2-CZ3 4.24Å; F43-W60 HydrophobicContact CE2-CZ2 4.43Å
44G94.5Very high88.8Confident9 Ų965 Ų659%0.09336%0.36CS..EExtended strand (participates in β ladder)trans-122.5154.5167.700000111.4I59G44-I59 PolarHBondContact N-O 3.45Å; G44-I59 PolarHBondContact O-N 3.49Å
45A96.3Very high89.5Confident44 Ų4460.6 Ų60.636%0.36433%0.333SS..EExtended strand (participates in β ladder)trans-142.5138.9171.500000111F43 L57F43-A45 HydrophobicContact CE1-CB 3.92Å; F43-A45 HydrophobicContact CZ-CB 3.87Å; A45-L57 WeakPolarHBondContact CA-O 3.36Å; A45-L57 WeakPolarHBondContact CB-O 3.39Å
46R96.2Very high90.7Very high60 Ų6059.5 Ų59.523%0.22633%0.327CS..EExtended strand (participates in β ladder)trans-144.8141.5177.1-170.6163.4173.1-138.8-13.6111.1F26 L57 E157F26-R46 HydrophobicContact CD1-CB 4.39Å; F26-R46 HydrophobicContact CE1-CB 3.69Å; F26-R46 HydrophobicContact CE1-CG 4.16Å; F26-R46 HydrophobicContact CZ-CB 4.23Å; F26-R46 HydrophobicContact CZ-CG 4.28Å; F26-R46 VanDerWaalsContact O-CD 3.29Å; F26-R46 WeakPolarHBondContact O-CD 3.43Å; F26-R46 PolarHBondContact O-NH1 3.08Å; R46-L57 PolarHBondContact N-O 2.83Å; R46-L57 VanDerWaalsContact N-O 3.08Å; R46-L57 PolarHBondContact O-N 3.44Å; R46-E157 IonicContact CZ-OE1 3.62Å; R46-E157 VanDerWaalsContact CZ-OE1 3.24Å; R46-E157 IonicContact CZ-OE2 3.6Å; R46-E157 VanDerWaalsContact NH1-CD 3.27Å; R46-E157 IonicContact NH1-OE1 3.43Å; R46-E157 PolarHBondContact NH1-OE1 2.75Å; R46-E157 IonicContact NH1-OE2 3.63Å; R46-E157 PolarHBondContact NH1-OE2 2.67Å; R46-E157 IonicContact NH2-OE1 3.49Å; R46-E157 PolarHBondContact NH2-OE1 2.73Å; R46-E157 IonicContact NH2-OE2 2.71Å; R46-E157 PolarHBondContact NH2-OE2 3.11Å
47M96.8Very high91.6Very high48 Ų4854.4 Ų54.424%0.23630%0.3CS..EExtended strand (participates in β ladder)trans-85.9132.2171.6-65.5-66.3-56.300109.1M1 Q54 I55 K56M1-M47 HydrophobicContact SD-CG 4.37Å; M47-Q54 HydrophobicContact CE-CB 3.71Å; M47-Q54 HydrophobicContact CE-CG 4.47Å; M47-I55 WeakPolarHBondContact CA-O 3.46Å; M47-K56 HydrophobicContact SD-CB 3.61Å; M47-K56 HydrophobicContact SD-CD 4.29Å; M47-K56 HydrophobicContact SD-CG 3.83Å
48I96.9Very high92.2Very high9 Ų952.4 Ų52.45%0.04629%0.289CS..EExtended strand (participates in β ladder)trans-126.9166.2172.563.7167.4000109.8F26 I50 I55 L57 I161 A164F26-I48 HydrophobicContact CZ-CG2 3.96Å; I48-I50 HydrophobicContact CD1-CD1 3.79Å; I48-I50 HydrophobicContact CD1-CG1 4.22Å; I48-I55 HydrophobicContact CG1-CB 4.05Å; I48-I55 HydrophobicContact CG1-CG2 4.48Å; I48-I55 PolarHBondContact N-O 2.98Å; I48-I55 PolarHBondContact O-N 3.14Å; I48-L57 HydrophobicContact CD1-CD1 3.92Å; I48-L57 HydrophobicContact CD1-CD2 4.13Å; I48-L57 HydrophobicContact CD1-CG 4.03Å; I48-L57 HydrophobicContact CG1-CD1 4.46Å; I48-L57 HydrophobicContact CG1-CG 4.22Å; I48-L57 HydrophobicContact CG2-CD1 4.36Å; I48-I161 HydrophobicContact CG2-CG1 4.49Å; I48-A164 HydrophobicContact CD1-CB 3.48Å; I48-A164 VanDerWaalsContact CD1-CB 3.48Å
49T96Very high93.1Very high83 Ų8351.8 Ų51.851%0.50929%0.285SS..EExtended strand (participates in β ladder)trans-118.3124.5176.9-50.20000109.3K53 Q54T49-K53 WeakPolarHBondContact CA-O 3.13Å; T49-Q54 PolarHBondContact OG1-OE1 3.47Å
50I95.5Very high93.9Very high4 Ų448.3 Ų48.32%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-129.3124.2172.9-67.2176.5000107I48 G52 K53 I55 A164 K165 Y168I48-I50 HydrophobicContact CD1-CD1 3.79Å; I48-I50 HydrophobicContact CD1-CG1 4.22Å; I50-G52 PolarHBondContact O-N 3.44Å; I50-K53 PolarHBondContact N-O 3.42Å; I50-K53 WeakPolarHBondContact O-CA 3.42Å; I50-K53 WeakPolarHBondContact O-CB 3.47Å; I50-K53 PolarHBondContact O-N 3.18Å; I50-I55 HydrophobicContact CB-CD1 3.97Å; I50-I55 HydrophobicContact CD1-CD1 4.08Å; I50-I55 HydrophobicContact CG1-CD1 4.36Å; I50-A164 HydrophobicContact CD1-CB 3.42Å; I50-A164 VanDerWaalsContact CD1-CB 3.42Å; I50-K165 HydrophobicContact CD1-CB 4.47Å; I50-K165 HydrophobicContact CD1-CG 3.76Å; I50-K165 HydrophobicContact CG1-CG 4.13Å; I50-K165 HydrophobicContact CG2-CG 4.17Å; I50-Y168 HydrophobicContact CG2-CD1 3.72Å; I50-Y168 HydrophobicContact CG2-CE1 4.19Å; I50-Y168 HydrophobicContact CG2-CG 4.11Å
51D93.7Very high94.8Very high131 Ų13147.7 Ų47.770%0.70126%0.256SS*.THydrogen-bonded Turntrans48.243.7-178.2-60-9.1000113.7K53 Y168D51-K53 PolarHBondContact O-N 3.01Å; D51-K53 VanDerWaalsContact O-N 3.11Å; D51-Y168 HydrophobicContact CB-CE1 4.26Å; D51-Y168 WeakPolarHBondContact OD2-CE1 3.43Å
52G92.8Very high95.1Very high70 Ų7046.1 Ų46.172%0.72225%0.246SC*.THydrogen-bonded Turntrans71.9-3.8-177.900000115.1I50I50-G52 PolarHBondContact O-N 3.44Å
53K93.3Very high94.9Very high57 Ų5741.3 Ų41.325%0.24822%0.224CC..EExtended strand (participates in β ladder)trans-90.2132.6175.9-64.9-177.4-175.6164.40110.7A4 Y5 T49 I50 D51 I55 Y168A4-K53 HydrophobicContact CB-CB 4.04Å; A4-K53 HydrophobicContact CB-CD 4.26Å; A4-K53 HydrophobicContact CB-CG 4.36Å; Y5-K53 HydrophobicContact CE2-CD 4.18Å; T49-K53 WeakPolarHBondContact CA-O 3.13Å; I50-K53 PolarHBondContact N-O 3.42Å; I50-K53 WeakPolarHBondContact O-CA 3.42Å; I50-K53 WeakPolarHBondContact O-CB 3.47Å; I50-K53 PolarHBondContact O-N 3.18Å; D51-K53 PolarHBondContact O-N 3.01Å; D51-K53 VanDerWaalsContact O-N 3.11Å; K53-I55 PolarHBondContact O-N 2.93Å; K53-Y168 HydrophobicContact CD-CE2 3.87Å; K53-Y168 WeakPolarHBondContact CD-OH 3.26Å; K53-Y168 VanDerWaalsContact CE-OH 3.31Å; K53-Y168 WeakPolarHBondContact CE-OH 3.41Å; K53-Y168 PolarHBondContact NZ-OH 3.06Å
54Q95.8Very high94.2Very high69 Ų6936.8 Ų36.832%0.32221%0.207SC..EExtended strand (participates in β ladder)trans-76121.5171.5-66.7-59.49500109.8Y3 A4 M47 T49Y3-Q54 CarbonylContact C-O 3.55Å; Y3-Q54 WeakPolarHBondContact CA-O 3.15Å; Y3-Q54 WeakPolarHBondContact CB-O 2.96Å; A4-Q54 PolarHBondContact N-O 3.12Å; M47-Q54 HydrophobicContact CE-CB 3.71Å; M47-Q54 HydrophobicContact CE-CG 4.47Å; T49-Q54 PolarHBondContact OG1-OE1 3.47Å
55I96.4Very high93.4Very high0 Ų039.2 Ų39.20%022%0.216CC..EExtended strand (participates in β ladder)trans-117.9130.9177.6-61.3-179.7000108.8Y5 F7 M47 I48 I50 K53 L57 Y168Y5-I55 WeakPolarHBondContact O-CA 3.32Å; F7-I55 HydrophobicContact CD2-CG2 3.69Å; F7-I55 HydrophobicContact CE2-CD1 3.9Å; F7-I55 HydrophobicContact CE2-CG2 3.79Å; F7-I55 HydrophobicContact CG-CG2 4.08Å; F7-I55 HydrophobicContact CZ-CD1 4.04Å; F7-I55 HydrophobicContact CZ-CG2 4.24Å; M47-I55 WeakPolarHBondContact CA-O 3.46Å; I48-I55 HydrophobicContact CG1-CB 4.05Å; I48-I55 HydrophobicContact CG1-CG2 4.48Å; I48-I55 PolarHBondContact N-O 2.98Å; I48-I55 PolarHBondContact O-N 3.14Å; I50-I55 HydrophobicContact CB-CD1 3.97Å; I50-I55 HydrophobicContact CD1-CD1 4.08Å; I50-I55 HydrophobicContact CG1-CD1 4.36Å; K53-I55 PolarHBondContact O-N 2.93Å; I55-L57 HydrophobicContact CG2-CD2 4.12Å; I55-Y168 HydrophobicContact CD1-CD2 4.12Å; I55-Y168 HydrophobicContact CD1-CG 4.49Å
56K97.2Very high92.1Very high64 Ų6443.6 Ų43.628%0.27823%0.229SC..EExtended strand (participates in β ladder)trans-94.3114.8174.7-171.5174.5-178.2-179.40109.6Y3 Y5 L6 F7 M47Y3-K56 HydrophobicContact CD1-CB 4.03Å; Y3-K56 HydrophobicContact CD1-CD 4.12Å; Y3-K56 HydrophobicContact CD2-CB 4.44Å; Y3-K56 HydrophobicContact CE1-CD 3.99Å; Y3-K56 HydrophobicContact CG-CB 4Å; Y5-K56 PolarHBondContact O-N 3.21Å; L6-K56 CarbonylContact C-O 3.52Å; L6-K56 VanDerWaalsContact CA-O 3.25Å; L6-K56 WeakPolarHBondContact CA-O 3.46Å; L6-K56 HydrophobicContact CB-CB 4.41Å; L6-K56 HydrophobicContact CD1-CD 4.33Å; L6-K56 HydrophobicContact CG-CB 4.45Å; F7-K56 PolarHBondContact N-O 3.4Å; M47-K56 HydrophobicContact SD-CB 3.61Å; M47-K56 HydrophobicContact SD-CD 4.29Å; M47-K56 HydrophobicContact SD-CG 3.83Å
57L97.9Very high91Very high0 Ų045.4 Ų45.40%025%0.251CS..EExtended strand (participates in β ladder)trans-84.3130.5168.2-56.8-172000109.2F7 Y9 F26 A45 R46 I48 I55 I59 F160 A164F7-L57 HydrophobicContact CB-CD2 3.96Å; F7-L57 HydrophobicContact CD2-CD2 4.07Å; F7-L57 HydrophobicContact CG-CD2 4.44Å; Y9-L57 HydrophobicContact CE1-CD2 4Å; Y9-L57 HydrophobicContact CE2-CD1 4.17Å; F26-L57 HydrophobicContact CE1-CD1 4.09Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; A45-L57 WeakPolarHBondContact CA-O 3.36Å; A45-L57 WeakPolarHBondContact CB-O 3.39Å; R46-L57 PolarHBondContact N-O 2.83Å; R46-L57 VanDerWaalsContact N-O 3.08Å; R46-L57 PolarHBondContact O-N 3.44Å; I48-L57 HydrophobicContact CD1-CD1 3.92Å; I48-L57 HydrophobicContact CD1-CD2 4.13Å; I48-L57 HydrophobicContact CD1-CG 4.03Å; I48-L57 HydrophobicContact CG1-CD1 4.46Å; I48-L57 HydrophobicContact CG1-CG 4.22Å; I48-L57 HydrophobicContact CG2-CD1 4.36Å; I55-L57 HydrophobicContact CG2-CD2 4.12Å; L57-I59 HydrophobicContact CB-CD1 4.25Å; L57-I59 HydrophobicContact CB-CG1 4.22Å; L57-F160 HydrophobicContact CD1-CB 4.36Å; L57-A164 HydrophobicContact CD2-CB 4.18Å
58Q97.3Very high90.1Very high50 Ų5045.5 Ų45.523%0.23425%0.25CC..EExtended strand (participates in β ladder)trans-113.3115.2167.2-78.4-164.5-29.200108L6 F7 K8 Y9 F43L6-Q58 HydrophobicContact CD1-CG 4.16Å; L6-Q58 HydrophobicContact CD2-CB 4.46Å; L6-Q58 HydrophobicContact CD2-CG 4.19Å; L6-Q58 HydrophobicContact CG-CG 4.17Å; F7-Q58 PolarHBondContact O-N 3.11Å; K8-Q58 CarbonylContact C-O 3.56Å; K8-Q58 WeakPolarHBondContact CA-O 3.25Å; Y9-Q58 PolarHBondContact N-O 3.46Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.92Å; F43-Q58 HydrophobicContact CZ-CB 4.29Å; F43-Q58 HydrophobicContact CZ-CG 3.88Å
59I97.5Very high89.1Confident0 Ų047.7 Ų47.70%026%0.257CS..EExtended strand (participates in β ladder)trans-117.5125.3-168.1-55.2152.7000108.7Y9 I11 L23 F26 F43 G44 L57 F160Y9-I59 HydrophobicContact CD2-CG1 4.41Å; Y9-I59 HydrophobicContact CG-CG1 4.43Å; I11-I59 HydrophobicContact CD1-CG2 3.72Å; I11-I59 HydrophobicContact CG1-CG2 3.67Å; L23-I59 HydrophobicContact CD1-CB 3.83Å; L23-I59 HydrophobicContact CD1-CD1 3.84Å; L23-I59 HydrophobicContact CD1-CG1 4.46Å; L23-I59 HydrophobicContact CD1-CG2 3.72Å; F26-I59 HydrophobicContact CD1-CD1 3.76Å; F26-I59 HydrophobicContact CE1-CD1 3.74Å; F43-I59 WeakPolarHBondContact CA-O 3.29Å; G44-I59 PolarHBondContact N-O 3.45Å; G44-I59 PolarHBondContact O-N 3.49Å; L57-I59 HydrophobicContact CB-CD1 4.25Å; L57-I59 HydrophobicContact CB-CG1 4.22Å; I59-F160 HydrophobicContact CD1-CD1 3.78Å; I59-F160 HydrophobicContact CD1-CE1 3.58Å; I59-F160 HydrophobicContact CG1-CD1 4.43Å; I59-F160 HydrophobicContact CG1-CE1 4.17Å; I59-F160 HydrophobicContact CG2-CE1 4.18Å
60W95.6Very high88.3Confident65 Ų6547.9 Ų47.925%0.24626%0.262CS..EExtended strand (participates in β ladder)trans-104.5109175.4-59.690.3000108.9Y9 I10 I11 V41 E42 F43 Y75Y9-W60 PolarHBondContact O-N 3.41Å; I10-W60 CarbonylContact C-O 3.6Å; I10-W60 WeakPolarHBondContact CA-O 3.19Å; I10-W60 HydrophobicContact CG2-CB 4.26Å; I11-W60 PolarHBondContact N-O 3.35Å; V41-W60 HydrophobicContact CG1-CB 3.83Å; V41-W60 HydrophobicContact CG1-CD2 4.38Å; V41-W60 HydrophobicContact CG1-CE3 3.64Å; E42-W60 CarbonylContact O-C 3.51Å; E42-W60 WeakPolarHBondContact O-CA 3.49Å; F43-W60 HydrophobicContact CB-CE3 4.36Å; F43-W60 HydrophobicContact CB-CZ3 4.39Å; F43-W60 HydrophobicContact CD2-CD2 4.12Å; F43-W60 HydrophobicContact CD2-CE3 4.16Å; F43-W60 HydrophobicContact CD2-CH2 4.25Å; F43-W60 HydrophobicContact CD2-CZ2 4.13Å; F43-W60 HydrophobicContact CD2-CZ3 4.24Å; F43-W60 HydrophobicContact CE2-CZ2 4.43Å; W60-Y75 HydrophobicContact CB-CD1 4.05Å; W60-Y75 AromaticContact CD2-CD1 3.62Å; W60-Y75 HydrophobicContact CD2-CD1 3.62Å; W60-Y75 AromaticContact CD2-CE1 3.58Å; W60-Y75 HydrophobicContact CD2-CE1 3.58Å; W60-Y75 AromaticContact CE3-CD1 3.76Å; W60-Y75 HydrophobicContact CE3-CD1 3.76Å; W60-Y75 AromaticContact CE3-CE1 3.24Å; W60-Y75 HydrophobicContact CE3-CE1 3.24Å; W60-Y75 AromaticContact CG-CD1 3.79Å; W60-Y75 HydrophobicContact CG-CD1 3.79Å; W60-Y75 HydrophobicContact CG-CE1 4.23Å; W60-Y75 HydrophobicContact CH2-CE1 4.02Å; W60-Y75 HydrophobicContact CZ2-CE1 4.36Å; W60-Y75 HydrophobicContact CZ3-CD1 4.37Å; W60-Y75 AromaticContact CZ3-CE1 3.47Å; W60-Y75 HydrophobicContact CZ3-CE1 3.47Å; W60-Y75 VanDerWaalsContact CZ3-CE1 3.47Å
61D94.3Very high87.5Confident0 Ų050.6 Ų50.60%028%0.276CS..EExtended strand (participates in β ladder)trans-85.7120.7172.7173.342.1000109.6K19 S20 L23 V41 E42K19-D61 WeakPolarHBondContact CB-OD1 3.38Å; S20-D61 VanDerWaalsContact CA-OD2 3.25Å; S20-D61 WeakPolarHBondContact CA-OD2 3.43Å; S20-D61 WeakPolarHBondContact CB-OD2 3.34Å; S20-D61 PolarHBondContact N-OD2 3.12Å; S20-D61 PolarHBondContact OG-OD2 2.99Å; L23-D61 HydrophobicContact CD2-CB 3.64Å; V41-D61 CarbonylContact C-O 3.5Å; V41-D61 VanDerWaalsContact CA-O 3.22Å; V41-D61 WeakPolarHBondContact CA-O 3.35Å; V41-D61 VanDerWaalsContact CG1-O 3.27Å; V41-D61 WeakPolarHBondContact CG1-O 3.16Å; E42-D61 HydrophobicContact CB-CB 4.23Å; E42-D61 PolarHBondContact N-O 3Å; E42-D61 PolarHBondContact O-N 2.89Å
62T91Very high86.9Confident0 Ų044.5 Ų44.50%024%0.244CC..EExtended strand (participates in β ladder)trans-102.5152.6-172.374.10000112.2I11 K19 V41 G64 T72I11-T62 PolarHBondContact O-N 3.34Å; I11-T62 PolarHBondContact O-OG1 3.18Å; K19-T62 WeakPolarHBondContact CE-O 3.48Å; V41-T62 HydrophobicContact CG1-CG2 4.49Å; V41-T62 HydrophobicContact CG2-CG2 4.23Å; T62-G64 PolarHBondContact O-N 2.81Å; T62-T72 HydrophobicContact CG2-CG2 4.06Å
63A86.1Confident86.6Confident1 Ų145.9 Ų45.91%0.00823%0.227CC..PPolyproline II helixtrans-56.613716800000111.1T38 G40 F68T38-A63 VanDerWaalsContact O-CB 3.27Å; T38-A63 WeakPolarHBondContact O-CB 3.43Å; G40-A63 WeakPolarHBondContact O-CB 3.34Å; G40-A63 PolarHBondContact O-N 3.39Å; A63-F68 HydrophobicContact CB-CB 3.61Å; A63-F68 HydrophobicContact CB-CD2 3.66Å; A63-F68 HydrophobicContact CB-CG 3.87Å
64G76.9Confident86.3Confident9 Ų946.8 Ų46.89%0.09324%0.241CC..  trans-94.48.1177.500000114.1G13 T15 T62G13-G64 WeakPolarHBondContact O-CA 3.43Å; T15-G64 PolarHBondContact N-O 3.38Å; T15-G64 VanDerWaalsContact N-O 3.13Å; T15-G64 PolarHBondContact OG1-O 3.1Å; T62-G64 PolarHBondContact O-N 2.81Å
65Q78.3Confident86Confident60 Ų6046.2 Ų46.228%0.2824%0.236SC..SBendtrans-92.2144.9-179.9-62.2-173.76.100110.1T15 S67 F68T15-Q65 HydrophobicContact CG2-CG 4.39Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.26Å; T15-Q65 PolarHBondContact OG1-N 3.18Å; T15-Q65 VanDerWaalsContact OG1-N 3.16Å; Q65-S67 PolarHBondContact O-N 3.47Å; Q65-F68 HydrophobicContact CB-CD2 4Å; Q65-F68 PolarHBondContact O-N 2.68Å
66E68.3Low85.7Confident135 Ų13546.3 Ų46.363%0.63124%0.236SC*.G310 helixtrans-59.6-37.2-179.5-56.9-161.1132.600112.9F68 R69E66-F68 PolarHBondContact O-N 2.64Å; E66-R69 WeakPolarHBondContact O-CB 3.23Å; E66-R69 WeakPolarHBondContact O-CG 3.38Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 IonicContact OE1-CZ 2.82Å; E66-R69 IonicContact OE1-NE 3.67Å; E66-R69 IonicContact OE1-NH2 3.81Å; E66-R69 PolarHBondContact OE1-NH2 3.07Å
67S74.2Confident85.3Confident99 Ų9952.3 Ų52.369%0.69226%0.257SS*.G310 helixtrans-57-19.1176.4-52.60000113.8Q65Q65-S67 PolarHBondContact O-N 3.47Å
68F76.8Confident84.9Confident49 Ų4952.8 Ų52.822%0.21526%0.262CS..G310 helixtrans-110.511.9178.5-60.5-62.8000113.5I39 A63 Q65 E66 S70 I71 T72I39-F68 HydrophobicContact CG2-CZ 4.2Å; A63-F68 HydrophobicContact CB-CB 3.61Å; A63-F68 HydrophobicContact CB-CD2 3.66Å; A63-F68 HydrophobicContact CB-CG 3.87Å; Q65-F68 HydrophobicContact CB-CD2 4Å; Q65-F68 PolarHBondContact O-N 2.68Å; E66-F68 PolarHBondContact O-N 2.64Å; F68-S70 VanDerWaalsContact C-N 3.26Å; F68-S70 PolarHBondContact O-N 2.86Å; F68-I71 HydrophobicContact CD1-CD1 3.75Å; F68-I71 HydrophobicContact CE1-CD1 4.47Å; F68-I71 PolarHBondContact O-N 2.93Å; F68-I71 VanDerWaalsContact O-N 3.15Å; F68-T72 PolarHBondContact O-N 2.82Å; F68-T72 PolarHBondContact O-OG1 2.99Å
69R76.5Confident84.8Confident55 Ų5550.4 Ų50.421%0.20825%0.251CS..Hα-helixtrans-56.5-38.2177.2-82.8174.7-175.5-13318.2112.6E66 I71 T72 R73 T99 D103E66-R69 WeakPolarHBondContact O-CB 3.23Å; E66-R69 WeakPolarHBondContact O-CG 3.38Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 IonicContact OE1-CZ 2.82Å; E66-R69 IonicContact OE1-NE 3.67Å; E66-R69 IonicContact OE1-NH2 3.81Å; E66-R69 PolarHBondContact OE1-NH2 3.07Å; R69-I71 PolarHBondContact O-N 2.94Å; R69-T72 PolarHBondContact O-N 3.1Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.96Å; R69-T99 VanDerWaalsContact NH1-CG2 3.27Å; R69-D103 IonicContact NH1-OD2 2.76Å; R69-D103 PolarHBondContact NH1-OD2 2.7Å
70S78.2Confident84.7Confident87 Ų8750.4 Ų50.461%0.60825%0.251SS*.Hα-helixtrans-62.9-40.6177.957.70000112.6F68 R73F68-S70 VanDerWaalsContact C-N 3.26Å; F68-S70 PolarHBondContact O-N 2.86Å; S70-R73 PolarHBondContact O-N 2.77Å
71I79.6Confident84.8Confident61 Ų6147.3 Ų47.331%0.31324%0.24SC..Hα-helixtrans-63.3-51174.6-59.5-177.2000108.9V41 F68 R69 R73 S74 Y75V41-I71 HydrophobicContact CG2-CG2 3.93Å; F68-I71 HydrophobicContact CD1-CD1 3.75Å; F68-I71 HydrophobicContact CE1-CD1 4.47Å; F68-I71 PolarHBondContact O-N 2.93Å; F68-I71 VanDerWaalsContact O-N 3.15Å; R69-I71 PolarHBondContact O-N 2.94Å; I71-R73 PolarHBondContact O-N 2.67Å; I71-S74 WeakPolarHBondContact O-CB 3.41Å; I71-S74 PolarHBondContact O-N 2.67Å; I71-S74 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-OG 3.08Å; I71-Y75 HydrophobicContact CG2-CD2 4.45Å; I71-Y75 HydrophobicContact CG2-CE2 3.93Å; I71-Y75 VanDerWaalsContact O-CD2 3.26Å; I71-Y75 WeakPolarHBondContact O-CD2 3.5Å
72T81.5Confident85Confident3 Ų347.3 Ų47.32%0.01824%0.24CC..Hα-helixtrans-54.4-41.4179.2-56.30000112I12 T62 F68 R69 S74 Y75 Y76 W100I12-T72 HydrophobicContact CG2-CG2 4.12Å; T62-T72 HydrophobicContact CG2-CG2 4.06Å; F68-T72 PolarHBondContact O-N 2.82Å; F68-T72 PolarHBondContact O-OG1 2.99Å; R69-T72 PolarHBondContact O-N 3.1Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 3.48Å; T72-Y75 PolarHBondContact O-N 3.25Å; T72-Y76 HydrophobicContact CG2-CE2 4.26Å; T72-W100 HydrophobicContact CG2-CZ3 4.05Å
73R85.4Confident85.3Confident99 Ų9947.3 Ų47.337%0.37424%0.24SC..Hα-helixtrans-58.9-34.3179.9-77.8175.1-179.2171.7-1.2114.2R69 S70 I71 Y75 Y76 D103R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.96Å; S70-R73 PolarHBondContact O-N 2.77Å; I71-R73 PolarHBondContact O-N 2.67Å; R73-Y75 PolarHBondContact O-N 2.79Å; R73-Y76 VanDerWaalsContact CA-CD2 3.49Å; R73-Y76 HydrophobicContact CB-CD2 4.29Å; R73-Y76 HydrophobicContact CG-CD2 4.16Å; R73-Y76 HydrophobicContact CG-CE2 4.04Å; R73-Y76 PolarHBondContact O-N 2.84Å; R73-D103 IonicContact CZ-OD1 3.45Å; R73-D103 IonicContact NE-OD1 3.31Å; R73-D103 PolarHBondContact NE-OD1 3.25Å; R73-D103 IonicContact NH2-OD1 2.79Å; R73-D103 PolarHBondContact NH2-OD1 2.88Å; R73-D103 IonicContact NH2-OD2 3.65Å
74S86.9Confident85.9Confident76 Ų7647.3 Ų47.353%0.53124%0.239SC..Hα-helixtrans-66.4-24.6177.2730000113.1I71 T72I71-S74 WeakPolarHBondContact O-CB 3.41Å; I71-S74 PolarHBondContact O-N 2.67Å; I71-S74 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-OG 3.08Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 3.48Å
75Y90.5Very high86.9Confident57 Ų5746.9 Ų46.922%0.22424%0.235CC..Hα-helixtrans-85.6-20.5-179-71.4-87.9000113.5K8 I10 V41 W60 I71 T72 R73 R77K8-Y75 VanDerWaalsContact CE-O 3.26Å; K8-Y75 WeakPolarHBondContact CE-O 3.47Å; K8-Y75 PolarHBondContact NZ-O 2.88Å; I10-Y75 WeakPolarHBondContact CG2-O 3.4Å; V41-Y75 HydrophobicContact CB-CE1 4.44Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.31Å; V41-Y75 HydrophobicContact CG1-CE1 4.04Å; V41-Y75 HydrophobicContact CG1-CE2 4.36Å; V41-Y75 HydrophobicContact CG2-CD2 3.65Å; V41-Y75 HydrophobicContact CG2-CE1 4.44Å; V41-Y75 HydrophobicContact CG2-CE2 3.32Å; V41-Y75 HydrophobicContact CG2-CG 4.34Å; W60-Y75 HydrophobicContact CB-CD1 4.05Å; W60-Y75 AromaticContact CD2-CD1 3.62Å; W60-Y75 HydrophobicContact CD2-CD1 3.62Å; W60-Y75 AromaticContact CD2-CE1 3.58Å; W60-Y75 HydrophobicContact CD2-CE1 3.58Å; W60-Y75 AromaticContact CE3-CD1 3.76Å; W60-Y75 HydrophobicContact CE3-CD1 3.76Å; W60-Y75 AromaticContact CE3-CE1 3.24Å; W60-Y75 HydrophobicContact CE3-CE1 3.24Å; W60-Y75 AromaticContact CG-CD1 3.79Å; W60-Y75 HydrophobicContact CG-CD1 3.79Å; W60-Y75 HydrophobicContact CG-CE1 4.23Å; W60-Y75 HydrophobicContact CH2-CE1 4.02Å; W60-Y75 HydrophobicContact CZ2-CE1 4.36Å; W60-Y75 HydrophobicContact CZ3-CD1 4.37Å; W60-Y75 AromaticContact CZ3-CE1 3.47Å; W60-Y75 HydrophobicContact CZ3-CE1 3.47Å; W60-Y75 VanDerWaalsContact CZ3-CE1 3.47Å; I71-Y75 HydrophobicContact CG2-CD2 4.45Å; I71-Y75 HydrophobicContact CG2-CE2 3.93Å; I71-Y75 VanDerWaalsContact O-CD2 3.26Å; I71-Y75 WeakPolarHBondContact O-CD2 3.5Å; T72-Y75 PolarHBondContact O-N 3.25Å; R73-Y75 PolarHBondContact O-N 2.79Å; Y75-R77 PolarHBondContact O-N 3.22Å
76Y90.7Very high87.9Confident2 Ų244 Ų441%0.00822%0.222CC..Hα-helixtrans-56.9-39172.1-70.7-53.5000112.3I10 I12 T72 R73 G78 A79 D103 A104 H107I10-Y76 HydrophobicContact CD1-CD1 3.16Å; I10-Y76 HydrophobicContact CD1-CE1 3.49Å; I10-Y76 VanDerWaalsContact CD1-CE1 3.49Å; I10-Y76 HydrophobicContact CD1-CG 4.26Å; I12-Y76 HydrophobicContact CD1-CE1 3.89Å; I12-Y76 HydrophobicContact CG2-CE1 3.86Å; T72-Y76 HydrophobicContact CG2-CE2 4.26Å; R73-Y76 VanDerWaalsContact CA-CD2 3.49Å; R73-Y76 HydrophobicContact CB-CD2 4.29Å; R73-Y76 HydrophobicContact CG-CD2 4.16Å; R73-Y76 HydrophobicContact CG-CE2 4.04Å; R73-Y76 PolarHBondContact O-N 2.84Å; Y76-G78 PolarHBondContact O-N 3.04Å; Y76-A79 WeakPolarHBondContact O-CB 3.41Å; Y76-A79 PolarHBondContact O-N 3.03Å; Y76-D103 HydrophobicContact CE2-CB 4.22Å; Y76-A104 HydrophobicContact CD1-CB 3.97Å; Y76-A104 VanDerWaalsContact CE1-CA 3.48Å; Y76-A104 HydrophobicContact CE1-CB 3.51Å; Y76-H107 CarbonylContact C-O 3.43Å; Y76-H107 WeakPolarHBondContact CB-O 3.4Å; Y76-H107 HydrophobicContact CD2-CB 3.65Å; Y76-H107 HydrophobicContact CG-CB 3.98Å
77R88.4Confident89.3Confident190 Ų19037.7 Ų37.772%0.71719%0.192SC*.THydrogen-bonded Turntrans-61.1122.5-178.6-173.2178178.292.10.5110.4K8 Y75 A79 H107K8-R77 PolarHBondContact NZ-O 2.93Å; Y75-R77 PolarHBondContact O-N 3.22Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 3.43Å; R77-H107 PolarHBondContact N-O 2.97Å
78G89.2Confident90.5Very high10 Ų1033 Ų3310%0.10316%0.159CC..THydrogen-bonded Turntrans69.725.1-179.400000114K8 Y76 A182 G184K8-G78 WeakPolarHBondContact CB-O 3.45Å; K8-G78 VanDerWaalsContact CD-O 3.26Å; K8-G78 WeakPolarHBondContact CD-O 3.39Å; Y76-G78 PolarHBondContact O-N 3.04Å; G78-A182 WeakPolarHBondContact CA-O 3.49Å; G78-G184 WeakPolarHBondContact O-CA 3.4Å
79A94.5Very high91.5Very high1 Ų131.6 Ų31.61%0.00816%0.155CC..  trans-82130.7163.200000109.6I10 Y76 R77 M112I10-A79 HydrophobicContact CD1-CB 4.05Å; I10-A79 HydrophobicContact CG1-CB 4.14Å; I10-A79 HydrophobicContact CG2-CB 3.98Å; Y76-A79 WeakPolarHBondContact O-CB 3.41Å; Y76-A79 PolarHBondContact O-N 3.03Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 3.43Å; A79-M112 HydrophobicContact CB-SD 3.72Å
80A96.2Very high92.6Very high0 Ų033 Ų330%016%0.16CC..SBendtrans-85.4-31.2172.300000111.2K8 V113 I167 N183 I185K8-A80 PolarHBondContact O-N 2.72Å; A80-V113 PolarHBondContact O-N 2.8Å; A80-I167 HydrophobicContact CB-CD1 4.05Å; A80-I167 HydrophobicContact CB-CG2 4.3Å; A80-I167 WeakPolarHBondContact O-CD1 3.35Å; A80-N183 WeakPolarHBondContact CA-O 2.84Å; A80-N183 WeakPolarHBondContact CB-O 3.31Å; A80-I185 HydrophobicContact CB-CD1 4.5Å; A80-I185 HydrophobicContact CB-CG1 3.87Å
81G97.5Very high93.6Very high0 Ų031.8 Ų31.80%014%0.142CC..EExtended strand (participates in β ladder)trans-136.2149.3178.100000112.7K8 Y9 I10 V113K8-G81 PolarHBondContact O-N 3.29Å; Y9-G81 VanDerWaalsContact CA-O 3.27Å; Y9-G81 WeakPolarHBondContact CA-O 3.17Å; I10-G81 PolarHBondContact N-O 3.31Å; I10-G81 VanDerWaalsContact N-O 3.11Å; G81-V113 CarbonylContact C-O 3.48Å; G81-V113 WeakPolarHBondContact CA-O 3.19Å
82A97.6Very high94.4Very high0 Ų034.1 Ų34.10%016%0.155CC..EExtended strand (participates in β ladder)trans-130136.2170.800000110.8I10 M112 V113 I114 M115I10-A82 HydrophobicContact CD1-CB 3.99Å; I10-A82 HydrophobicContact CG1-CB 3.61Å; I10-A82 CarbonylContact O-C 3.54Å; I10-A82 WeakPolarHBondContact O-CA 3.11Å; A82-M112 HydrophobicContact CB-CE 3.84Å; A82-M112 HydrophobicContact CB-SD 3.91Å; A82-V113 PolarHBondContact N-O 3.04Å; A82-I114 HydrophobicContact CB-CG1 4.29Å; A82-I114 WeakPolarHBondContact O-CA 3.12Å; A82-M115 PolarHBondContact O-N 3.49Å
83L98.4Very high95.2Very high0 Ų034.1 Ų34.10%016%0.155CC..EExtended strand (participates in β ladder)trans-99.1109.9166.7-57-170.5000107.9I10 I11 I12 V85 M115 I117 F160 T163I10-L83 PolarHBondContact O-N 2.84Å; I11-L83 WeakPolarHBondContact CA-O 3.3Å; I11-L83 HydrophobicContact CD1-CD1 4.47Å; I11-L83 HydrophobicContact CG1-CB 4.37Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.09Å; I12-L83 PolarHBondContact N-O 3.34Å; L83-V85 HydrophobicContact CB-CG2 4.41Å; L83-M115 WeakPolarHBondContact CA-O 3.48Å; L83-M115 HydrophobicContact CD2-CB 3.68Å; L83-M115 HydrophobicContact CD2-CG 4.02Å; L83-I117 HydrophobicContact CB-CD1 4.02Å; L83-I117 HydrophobicContact CD1-CD1 3.95Å; L83-I117 HydrophobicContact CD2-CD1 4.14Å; L83-I117 HydrophobicContact CG-CD1 4.25Å; L83-F160 HydrophobicContact CD1-CD1 3.82Å; L83-F160 HydrophobicContact CD1-CD2 4.16Å; L83-F160 HydrophobicContact CD1-CE1 3.4Å; L83-F160 HydrophobicContact CD1-CE2 3.81Å; L83-F160 HydrophobicContact CD1-CG 4.19Å; L83-F160 HydrophobicContact CD1-CZ 3.41Å; L83-F160 VanDerWaalsContact CD1-CZ 3.41Å; L83-T163 HydrophobicContact CD2-CG2 4.36Å
84L98.2Very high95.9Very high0 Ų030.4 Ų30.40%014%0.142CC..EExtended strand (participates in β ladder)trans-96110.8177.6174.159.8000108.6I12 L97 W100 L101 I114 M115 L116 I117I12-L84 HydrophobicContact CD1-CB 4.45Å; I12-L84 HydrophobicContact CD1-CD1 3.98Å; I12-L84 HydrophobicContact CG1-CB 4.23Å; I12-L84 HydrophobicContact CG1-CD1 3.81Å; L84-L97 HydrophobicContact CD1-CD2 3.78Å; L84-L97 HydrophobicContact CD2-CD2 3.77Å; L84-L97 HydrophobicContact CG-CD2 3.52Å; L84-W100 HydrophobicContact CD1-CB 3.52Å; L84-W100 HydrophobicContact CD1-CG 4.17Å; L84-L101 HydrophobicContact CD2-CB 4.18Å; L84-I114 HydrophobicContact CB-CG2 4.07Å; L84-M115 PolarHBondContact N-O 2.8Å; L84-L116 HydrophobicContact CD2-CD1 4.2Å; L84-L116 HydrophobicContact CG-CD1 4.1Å; L84-L116 CarbonylContact O-C 3.54Å; L84-L116 WeakPolarHBondContact O-CA 3.08Å; L84-I117 PolarHBondContact O-N 3.33Å
85V98.6Very high96.4Very high1 Ų130.8 Ų30.81%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-112.8132.1-166.4-167.70000111.3I11 I12 V17 K19 L22 L83 I117 N119I11-V85 HydrophobicContact CG2-CG2 3.63Å; I12-V85 PolarHBondContact O-N 3.15Å; V17-V85 HydrophobicContact CB-CG1 4.22Å; V17-V85 HydrophobicContact CG2-CB 3.87Å; V17-V85 HydrophobicContact CG2-CG1 3.78Å; K19-V85 HydrophobicContact CG-CB 4.21Å; K19-V85 HydrophobicContact CG-CG2 4.25Å; L22-V85 HydrophobicContact CD1-CG1 3.81Å; L22-V85 HydrophobicContact CD1-CG2 4.06Å; L83-V85 HydrophobicContact CB-CG2 4.41Å; V85-I117 WeakPolarHBondContact CA-O 3.47Å; V85-I117 HydrophobicContact CG1-CB 4.32Å; V85-I117 HydrophobicContact CG1-CG2 4.22Å; V85-I117 HydrophobicContact CG2-CB 4.24Å; V85-I117 HydrophobicContact CG2-CD1 4.48Å; V85-N119 HydrophobicContact CG1-CB 3.81Å
86Y98.7Very high96.7Very high0 Ų031.8 Ų31.80%014%0.144CC..EExtended strand (participates in β ladder)trans-123.5169165.774.6-82.1000111I88 F94 L97 L116 I117 G118 N119 V129 F145Y86-I88 HydrophobicContact CE2-CG2 3.89Å; Y86-F94 HydrophobicContact CD1-CD2 4.23Å; Y86-F94 HydrophobicContact CD2-CB 3.94Å; Y86-F94 AromaticContact CD2-CD2 3.91Å; Y86-F94 HydrophobicContact CD2-CD2 3.91Å; Y86-F94 HydrophobicContact CD2-CG 4.43Å; Y86-F94 HydrophobicContact CE1-CD2 4.06Å; Y86-F94 HydrophobicContact CE1-CE2 4.46Å; Y86-F94 HydrophobicContact CE2-CB 4.4Å; Y86-F94 AromaticContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CG-CB 4.37Å; Y86-F94 HydrophobicContact CG-CD2 4.15Å; Y86-F94 AromaticContact CZ-CD2 3.83Å; Y86-L97 HydrophobicContact CD1-CD1 3.9Å; Y86-L97 HydrophobicContact CD1-CD2 4.28Å; Y86-L97 HydrophobicContact CE1-CD1 4.42Å; Y86-L97 HydrophobicContact CG-CD1 4.26Å; Y86-L116 HydrophobicContact CD1-CD1 3.9Å; Y86-L116 HydrophobicContact CD1-CG 4.44Å; Y86-L116 HydrophobicContact CE1-CD1 4.11Å; Y86-L116 HydrophobicContact CE1-CD2 4.42Å; Y86-L116 HydrophobicContact CE1-CG 4.17Å; Y86-I117 VanDerWaalsContact CD1-O 3.27Å; Y86-I117 WeakPolarHBondContact CD1-O 3.27Å; Y86-I117 PolarHBondContact N-O 3Å; Y86-G118 VanDerWaalsContact CZ-CA 3.43Å; Y86-N119 PolarHBondContact O-N 2.95Å; Y86-V129 HydrophobicContact CD2-CG2 4.49Å; Y86-V129 HydrophobicContact CE2-CB 3.98Å; Y86-V129 HydrophobicContact CE2-CG1 3.81Å; Y86-V129 HydrophobicContact CE2-CG2 4.18Å; Y86-F145 HydrophobicContact CE1-CE2 4.19Å
87D98.5Very high97.1Very high1 Ų131.8 Ų31.81%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-103.5118.4177.8-177.8-10.5000109.5V17 T89 R90 T93 K120V17-D87 HydrophobicContact CB-CB 4.3Å; V17-D87 HydrophobicContact CG1-CB 4.12Å; D87-T89 PolarHBondContact O-N 3.02Å; D87-T89 PolarHBondContact OD1-N 3.47Å; D87-T89 PolarHBondContact OD1-OG1 3.21Å; D87-T89 VanDerWaalsContact OD1-OG1 3.11Å; D87-R90 HydrophobicContact CB-CB 4.18Å; D87-R90 PolarHBondContact O-N 3.33Å; D87-R90 IonicContact OD2-CZ 3.69Å; D87-R90 IonicContact OD2-NE 2.76Å; D87-R90 PolarHBondContact OD2-NE 2.98Å; D87-R90 IonicContact OD2-NH2 2.76Å; D87-T93 HydrophobicContact CB-CG2 4.43Å; D87-T93 PolarHBondContact N-OG1 3.44Å; D87-T93 PolarHBondContact O-OG1 3.11Å; D87-K120 WeakPolarHBondContact OD1-CD 3.44Å; D87-K120 VanDerWaalsContact OD2-CE 3.26Å; D87-K120 WeakPolarHBondContact OD2-CE 3.48Å; D87-K120 IonicContact OD2-NZ 3.65Å; D87-K120 PolarHBondContact OD2-NZ 3.04Å
88I98.8Very high97.4Very high0 Ų025.4 Ų25.40%013%0.127CC..THydrogen-bonded Turntrans-62.9-18.2-177.466.8156.1000113.2Y86 N119 K120 R127 E128 V129Y86-I88 HydrophobicContact CE2-CG2 3.89Å; I88-N119 WeakPolarHBondContact CG1-O 3.43Å; I88-N119 PolarHBondContact N-O 3.31Å; I88-K120 WeakPolarHBondContact CD1-O 3.36Å; I88-R127 HydrophobicContact CD1-CB 4.49Å; I88-R127 HydrophobicContact CD1-CG 4.48Å; I88-E128 PolarHBondContact O-N 2.88Å; I88-V129 PolarHBondContact O-N 3.33Å; I88-V129 VanDerWaalsContact O-N 3.11Å
89T98.6Very high97.7Very high20 Ų2027.5 Ų27.512%0.12314%0.137CC..THydrogen-bonded Turntrans-95.47.5178.484.60000112.9D87 L123 R126D87-T89 PolarHBondContact O-N 3.02Å; D87-T89 PolarHBondContact OD1-N 3.47Å; D87-T89 PolarHBondContact OD1-OG1 3.21Å; D87-T89 VanDerWaalsContact OD1-OG1 3.11Å; T89-L123 HydrophobicContact CG2-CB 3.6Å; T89-L123 HydrophobicContact CG2-CD1 4.06Å; T89-L123 HydrophobicContact CG2-CG 4.48Å; T89-R126 VanDerWaalsContact CA-O 3.31Å; T89-R126 WeakPolarHBondContact CA-O 3.43Å; T89-R126 WeakPolarHBondContact CB-O 3.33Å; T89-R126 HydrophobicContact CG2-CB 3.91Å
90R98.3Very high97.7Very high86 Ų8627.8 Ų27.833%0.32514%0.138SC..  trans-139.799.1178.8-65.5-169.4-64.9148.22.7111T15 G16 D87 D92 T93 E128T15-R90 PolarHBondContact O-NH1 2.74Å; T15-R90 PolarHBondContact O-NH2 2.95Å; G16-R90 PolarHBondContact O-NH2 3.2Å; D87-R90 HydrophobicContact CB-CB 4.18Å; D87-R90 PolarHBondContact O-N 3.33Å; D87-R90 IonicContact OD2-CZ 3.69Å; D87-R90 IonicContact OD2-NE 2.76Å; D87-R90 PolarHBondContact OD2-NE 2.98Å; D87-R90 IonicContact OD2-NH2 2.76Å; R90-D92 VanDerWaalsContact C-N 3.27Å; R90-D92 PolarHBondContact O-N 2.89Å; R90-T93 HydrophobicContact CB-CG2 3.9Å; R90-T93 VanDerWaalsContact CZ-CG2 3.45Å; R90-T93 PolarHBondContact O-N 2.91Å; R90-T93 VanDerWaalsContact O-N 3.11Å; R90-T93 PolarHBondContact O-OG1 3.22Å; R90-E128 WeakPolarHBondContact CA-OE2 3.47Å
91R98.5Very high97.7Very high61 Ų6128 Ų2823%0.2314%0.139CC..Hα-helixtrans-53.1-39.9-179.1176.555.964.6163.99.9113.5T93 F94 N95 E128 E133R91-T93 PolarHBondContact O-N 2.78Å; R91-F94 WeakPolarHBondContact O-CB 3.49Å; R91-F94 PolarHBondContact O-N 2.84Å; R91-N95 PolarHBondContact O-N 3.31Å; R91-E128 HydrophobicContact CB-CB 4.3Å; R91-E128 PolarHBondContact N-OE2 2.86Å; R91-E128 PolarHBondContact NE-O 2.74Å; R91-E128 PolarHBondContact NH2-O 2.89Å; R91-E133 IonicContact CZ-OE1 3.71Å; R91-E133 VanDerWaalsContact CZ-OE1 3.27Å; R91-E133 IonicContact CZ-OE2 2.91Å; R91-E133 IonicContact NH1-OE1 3.71Å; R91-E133 PolarHBondContact NH1-OE1 3.09Å; R91-E133 IonicContact NH1-OE2 2.67Å; R91-E133 VanDerWaalsContact NH2-CD 3.27Å; R91-E133 IonicContact NH2-OE1 3.75Å; R91-E133 PolarHBondContact NH2-OE1 3.31Å; R91-E133 IonicContact NH2-OE2 3.74Å; R91-E133 PolarHBondContact NH2-OE2 3.07Å
92D98Very high97.6Very high109 Ų10933 Ų3358%0.58316%0.163SC*.Hα-helixtrans-58.4-38-178.9-65.3-26.8000112.4R90 F94 N95 H96R90-D92 VanDerWaalsContact C-N 3.27Å; R90-D92 PolarHBondContact O-N 2.89Å; D92-F94 PolarHBondContact O-N 3.45Å; D92-N95 PolarHBondContact O-N 3.45Å; D92-N95 VanDerWaalsContact O-N 3.13Å; D92-H96 VanDerWaalsContact O-CG 3.27Å; D92-H96 PolarHBondContact O-N 2.9Å; D92-H96 PolarHBondContact O-ND1 2.76Å
93T98.1Very high97.3Very high3 Ų333.5 Ų33.52%0.01817%0.165CC..Hα-helixtrans-67.5-26.4179.370.20000113D14 V17 D87 R90 R91D14-T93 HydrophobicContact CB-CG2 3.92Å; V17-T93 HydrophobicContact CG1-CG2 3.87Å; D87-T93 HydrophobicContact CB-CG2 4.43Å; D87-T93 PolarHBondContact N-OG1 3.44Å; D87-T93 PolarHBondContact O-OG1 3.11Å; R90-T93 HydrophobicContact CB-CG2 3.9Å; R90-T93 VanDerWaalsContact CZ-CG2 3.45Å; R90-T93 PolarHBondContact O-N 2.91Å; R90-T93 VanDerWaalsContact O-N 3.11Å; R90-T93 PolarHBondContact O-OG1 3.22Å; R91-T93 PolarHBondContact O-N 2.78Å
94F98.7Very high97.1Very high21 Ų2133.5 Ų33.59%0.09217%0.165CC..Hα-helixtrans-76.2-42.7172179.6-92.4000110.9Y86 R91 D92 H96 L97 V129 E133 F137Y86-F94 HydrophobicContact CD1-CD2 4.23Å; Y86-F94 HydrophobicContact CD2-CB 3.94Å; Y86-F94 AromaticContact CD2-CD2 3.91Å; Y86-F94 HydrophobicContact CD2-CD2 3.91Å; Y86-F94 HydrophobicContact CD2-CG 4.43Å; Y86-F94 HydrophobicContact CE1-CD2 4.06Å; Y86-F94 HydrophobicContact CE1-CE2 4.46Å; Y86-F94 HydrophobicContact CE2-CB 4.4Å; Y86-F94 AromaticContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CG-CB 4.37Å; Y86-F94 HydrophobicContact CG-CD2 4.15Å; Y86-F94 AromaticContact CZ-CD2 3.83Å; R91-F94 WeakPolarHBondContact O-CB 3.49Å; R91-F94 PolarHBondContact O-N 2.84Å; D92-F94 PolarHBondContact O-N 3.45Å; F94-H96 PolarHBondContact O-N 3.16Å; F94-L97 HydrophobicContact CB-CD1 4.43Å; F94-L97 HydrophobicContact CD2-CD1 3.37Å; F94-L97 HydrophobicContact CE2-CD1 3.7Å; F94-L97 HydrophobicContact CG-CD1 3.97Å; F94-L97 WeakPolarHBondContact O-CB 3.17Å; F94-L97 WeakPolarHBondContact O-CD1 3.31Å; F94-L97 WeakPolarHBondContact O-CG 3.34Å; F94-L97 PolarHBondContact O-N 2.92Å; F94-V129 HydrophobicContact CB-CG1 4.41Å; F94-V129 HydrophobicContact CB-CG2 3.77Å; F94-V129 HydrophobicContact CD1-CG1 4.4Å; F94-V129 HydrophobicContact CD2-CG1 3.67Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.9Å; F94-V129 HydrophobicContact CG-CG2 4.14Å; F94-V129 HydrophobicContact CZ-CG1 4.45Å; F94-E133 HydrophobicContact CZ-CB 4.03Å; F94-F137 HydrophobicContact CE2-CB 4.36Å; F94-F137 HydrophobicContact CZ-CB 4.03Å; F94-F137 HydrophobicContact CZ-CD2 4.46Å; F94-F137 HydrophobicContact CZ-CG 4.46Å
95N98.2Very high96.8Very high84 Ų8439.4 Ų39.445%0.44919%0.188SC..Hα-helixtrans-61.5-31.1177.7-64.1-18.4000112.3R91 D92 L97R91-N95 PolarHBondContact O-N 3.31Å; D92-N95 PolarHBondContact O-N 3.45Å; D92-N95 VanDerWaalsContact O-N 3.13Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 3.33Å
96H97.3Very high96.6Very high79 Ų7945.8 Ų45.837%0.36622%0.218SC..THydrogen-bonded Turntrans-76.4-7.4176.4-61.1152.4000114.6D14 D92 F94 T98 T99 W100D14-H96 IonicContact OD1-ND1 3.07Å; D14-H96 IonicContact OD2-CE1 3.4Å; D14-H96 IonicContact OD2-CG 2.7Å; D14-H96 IonicContact OD2-ND1 3.81Å; D14-H96 PolarHBondContact OD2-ND1 3.47Å; D92-H96 VanDerWaalsContact O-CG 3.27Å; D92-H96 PolarHBondContact O-N 2.9Å; D92-H96 PolarHBondContact O-ND1 2.76Å; F94-H96 PolarHBondContact O-N 3.16Å; H96-T98 PolarHBondContact O-N 2.8Å; H96-T99 PolarHBondContact O-N 3.43Å; H96-T99 VanDerWaalsContact O-N 3.16Å; H96-W100 VanDerWaalsContact O-CD1 3.27Å; H96-W100 PolarHBondContact O-N 2.92Å; H96-W100 VanDerWaalsContact O-N 3.14Å
97L97.8Very high96.2Very high1 Ų149.1 Ų49.11%0.00523%0.233CC..Hα-helixtrans-56.7-38.5-179.5-72.7170.4000112.4L84 Y86 F94 N95 T99 W100 L101 L116 F137L84-L97 HydrophobicContact CD1-CD2 3.78Å; L84-L97 HydrophobicContact CD2-CD2 3.77Å; L84-L97 HydrophobicContact CG-CD2 3.52Å; Y86-L97 HydrophobicContact CD1-CD1 3.9Å; Y86-L97 HydrophobicContact CD1-CD2 4.28Å; Y86-L97 HydrophobicContact CE1-CD1 4.42Å; Y86-L97 HydrophobicContact CG-CD1 4.26Å; F94-L97 HydrophobicContact CB-CD1 4.43Å; F94-L97 HydrophobicContact CD2-CD1 3.37Å; F94-L97 HydrophobicContact CE2-CD1 3.7Å; F94-L97 HydrophobicContact CG-CD1 3.97Å; F94-L97 WeakPolarHBondContact O-CB 3.17Å; F94-L97 WeakPolarHBondContact O-CD1 3.31Å; F94-L97 WeakPolarHBondContact O-CG 3.34Å; F94-L97 PolarHBondContact O-N 2.92Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 3.33Å; L97-T99 PolarHBondContact O-N 3.42Å; L97-W100 PolarHBondContact O-N 2.84Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 PolarHBondContact O-N 3.26Å; L97-L116 HydrophobicContact CD1-CD1 3.71Å; L97-L116 HydrophobicContact CD2-CD1 3.54Å; L97-L116 HydrophobicContact CG-CD1 4.27Å; L97-F137 HydrophobicContact CB-CE1 4Å; L97-F137 HydrophobicContact CB-CE2 4.03Å; L97-F137 HydrophobicContact CB-CZ 3.58Å; L97-F137 HydrophobicContact CD1-CD1 4.4Å; L97-F137 HydrophobicContact CD1-CE1 4.36Å
98T96.6Very high95.8Very high57 Ų5750.3 Ų50.335%0.3524%0.241SC..Hα-helixtrans-58.3-48.3178.4-47.90000110.9H96 W100 L101 E102H96-T98 PolarHBondContact O-N 2.8Å; T98-W100 PolarHBondContact O-N 2.71Å; T98-L101 PolarHBondContact O-N 2.94Å; T98-E102 WeakPolarHBondContact O-CB 3.44Å; T98-E102 VanDerWaalsContact O-CG 3.32Å; T98-E102 WeakPolarHBondContact O-CG 3.35Å; T98-E102 PolarHBondContact O-N 3.28Å
99T94.7Very high95.2Very high53 Ų5352.1 Ų52.133%0.32525%0.251SS..Hα-helixtrans-61.4-44.5177.9-51.80000111.9R69 H96 L97 D103R69-T99 VanDerWaalsContact NH1-CG2 3.27Å; H96-T99 PolarHBondContact O-N 3.43Å; H96-T99 VanDerWaalsContact O-N 3.16Å; L97-T99 PolarHBondContact O-N 3.42Å; T99-D103 WeakPolarHBondContact O-CB 3.47Å; T99-D103 PolarHBondContact O-N 3.33Å
100W95.1Very high94.7Very high7 Ų756.7 Ų56.73%0.02728%0.284CS..Hα-helixtrans-64.6-41177.6-79.2109000112.5I12 G13 D14 T72 L84 H96 L97 T98 A104I12-W100 HydrophobicContact CB-CE3 4Å; I12-W100 HydrophobicContact CB-CZ3 4.22Å; G13-W100 WeakPolarHBondContact O-CZ2 3.49Å; D14-W100 PolarHBondContact OD1-NE1 3.43Å; T72-W100 HydrophobicContact CG2-CZ3 4.05Å; L84-W100 HydrophobicContact CD1-CB 3.52Å; L84-W100 HydrophobicContact CD1-CG 4.17Å; H96-W100 VanDerWaalsContact O-CD1 3.27Å; H96-W100 PolarHBondContact O-N 2.92Å; H96-W100 VanDerWaalsContact O-N 3.14Å; L97-W100 PolarHBondContact O-N 2.84Å; T98-W100 PolarHBondContact O-N 2.71Å; W100-A104 WeakPolarHBondContact O-CB 3.41Å; W100-A104 PolarHBondContact O-N 3.13Å
101L95.7Very high94.4Very high4 Ų454.7 Ų54.72%0.02128%0.279CS..Hα-helixtrans-68.4-42.5179.718063.2000111.7L84 L97 T98 A104 R105 I114 F137 H141 L143L84-L101 HydrophobicContact CD2-CB 4.18Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 PolarHBondContact O-N 3.26Å; T98-L101 PolarHBondContact O-N 2.94Å; L101-A104 PolarHBondContact O-N 3.32Å; L101-R105 HydrophobicContact CD1-CG 4.34Å; L101-R105 WeakPolarHBondContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CG 3.41Å; L101-R105 PolarHBondContact O-N 2.8Å; L101-I114 HydrophobicContact CD1-CD1 3.6Å; L101-F137 HydrophobicContact CD2-CE1 4.19Å; L101-F137 HydrophobicContact CD2-CZ 4.19Å; L101-H141 HydrophobicContact CD2-CB 3.68Å; L101-H141 WeakPolarHBondContact CD2-CD2 3.5Å; L101-L143 HydrophobicContact CD1-CD1 4.35Å; L101-L143 HydrophobicContact CD1-CD2 3.93Å; L101-L143 HydrophobicContact CD2-CD1 4.26Å
102E94.1Very high94.2Very high106 Ų10652.4 Ų52.450%0.49527%0.271SS..Hα-helixtrans-59.8-50173.7-76.1177-178.500111T98 A104 R105 Q106T98-E102 WeakPolarHBondContact O-CB 3.44Å; T98-E102 VanDerWaalsContact O-CG 3.32Å; T98-E102 WeakPolarHBondContact O-CG 3.35Å; T98-E102 PolarHBondContact O-N 3.28Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.14Å; E102-R105 PolarHBondContact O-N 3.5Å; E102-Q106 WeakPolarHBondContact O-CB 3.32Å; E102-Q106 VanDerWaalsContact O-CG 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.16Å; E102-Q106 PolarHBondContact O-N 2.63Å
103D92.3Very high94.2Very high10 Ų1047.4 Ų47.45%0.05325%0.245CC..Hα-helixtrans-57.1-44.8176.3-92.9-29.5000110.8R69 R73 Y76 T99 Q106 H107R69-D103 IonicContact NH1-OD2 2.76Å; R69-D103 PolarHBondContact NH1-OD2 2.7Å; R73-D103 IonicContact CZ-OD1 3.45Å; R73-D103 IonicContact NE-OD1 3.31Å; R73-D103 PolarHBondContact NE-OD1 3.25Å; R73-D103 IonicContact NH2-OD1 2.79Å; R73-D103 PolarHBondContact NH2-OD1 2.88Å; R73-D103 IonicContact NH2-OD2 3.65Å; Y76-D103 HydrophobicContact CE2-CB 4.22Å; T99-D103 WeakPolarHBondContact O-CB 3.47Å; T99-D103 PolarHBondContact O-N 3.33Å; D103-Q106 PolarHBondContact O-N 2.79Å; D103-H107 PolarHBondContact O-N 3.43Å; D103-H107 PolarHBondContact O-ND1 3.5Å
104A93.3Very high94.1Very high0 Ų047.9 Ų47.90%025%0.247CC..Hα-helixtrans-62.6-46.7179.100000112.2I12 Y76 W100 L101 E102 H107 S108 M112I12-A104 HydrophobicContact CD1-CB 3.88Å; Y76-A104 HydrophobicContact CD1-CB 3.97Å; Y76-A104 VanDerWaalsContact CE1-CA 3.48Å; Y76-A104 HydrophobicContact CE1-CB 3.51Å; W100-A104 WeakPolarHBondContact O-CB 3.41Å; W100-A104 PolarHBondContact O-N 3.13Å; L101-A104 PolarHBondContact O-N 3.32Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.14Å; A104-H107 PolarHBondContact O-N 3.26Å; A104-S108 VanDerWaalsContact O-CB 3.22Å; A104-S108 WeakPolarHBondContact O-CB 3.19Å; A104-S108 PolarHBondContact O-N 3Å; A104-S108 VanDerWaalsContact O-N 3.1Å; A104-S108 PolarHBondContact O-OG 3.03Å; A104-M112 HydrophobicContact CB-CE 4.04Å
105R93.7Very high94.1Very high124 Ų12446.9 Ų46.947%0.46824%0.243SC..Hα-helixtrans-67.5-35.1-179.9-75.9178.6167.3177.5-4113.3L101 E102 H107 H141L101-R105 HydrophobicContact CD1-CG 4.34Å; L101-R105 WeakPolarHBondContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CG 3.41Å; L101-R105 PolarHBondContact O-N 2.8Å; E102-R105 PolarHBondContact O-N 3.5Å; R105-H107 VanDerWaalsContact C-N 3.28Å; R105-H107 PolarHBondContact O-N 2.71Å; R105-H141 PolarHBondContact NH2-O 3.42Å
106Q92.7Very high94.2Very high136 Ų13642.9 Ų42.964%0.63622%0.221SC*.Hα-helixtrans-68.9-25.7178.8-74.717712.200113.3E102 D103E102-Q106 WeakPolarHBondContact O-CB 3.32Å; E102-Q106 VanDerWaalsContact O-CG 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.16Å; E102-Q106 PolarHBondContact O-N 2.63Å; D103-Q106 PolarHBondContact O-N 2.79Å
107H91.1Very high94.2Very high70 Ų7039.1 Ų39.132%0.32420%0.204SC..Hα-helixtrans-118.53.5-170.5-58.788.5000114.3Y76 R77 D103 A104 R105Y76-H107 CarbonylContact C-O 3.43Å; Y76-H107 WeakPolarHBondContact CB-O 3.4Å; Y76-H107 HydrophobicContact CD2-CB 3.65Å; Y76-H107 HydrophobicContact CG-CB 3.98Å; R77-H107 PolarHBondContact N-O 2.97Å; D103-H107 PolarHBondContact O-N 3.43Å; D103-H107 PolarHBondContact O-ND1 3.5Å; A104-H107 PolarHBondContact O-N 3.26Å; R105-H107 VanDerWaalsContact C-N 3.28Å; R105-H107 PolarHBondContact O-N 2.71Å
108S89.9Confident94.3Very high25 Ų2539 Ų3918%0.17520%0.204CC..SBendtrans-121.1177.6178.367.50000111.8A104 M112A104-S108 VanDerWaalsContact O-CB 3.22Å; A104-S108 WeakPolarHBondContact O-CB 3.19Å; A104-S108 PolarHBondContact O-N 3Å; A104-S108 VanDerWaalsContact O-N 3.1Å; A104-S108 PolarHBondContact O-OG 3.03Å; S108-M112 VanDerWaalsContact CB-SD 3.6Å; S108-M112 WeakPolarHBondContact OG-CE 3.38Å
109N86.5Confident94.4Very high39 Ų3936.5 Ų36.521%0.20919%0.188CC..  trans-72140.4171-174.5-46.4000109.6N111 M112 N183N109-N111 PolarHBondContact O-N 2.86Å; N109-N111 WeakPolarHBondContact OD1-CB 3.43Å; N109-N111 PolarHBondContact OD1-N 2.75Å; N109-M112 VanDerWaalsContact O-CB 3.23Å; N109-M112 WeakPolarHBondContact O-CB 3.5Å; N109-M112 PolarHBondContact O-N 2.91Å; N109-N183 PolarHBondContact ND2-OD1 2.8Å
110S88.2Confident94.6Very high115 Ų11536.4 Ų36.480%0.80418%0.183SC*.THydrogen-bonded Turntrans-53.7-24.317454.90000114.5
111N91.2Very high94.7Very high44 Ų4437.4 Ų37.424%0.23519%0.191CC..THydrogen-bonded Turntrans-85.6-7.5-179.7-62.4-14.8000113.2N109 V113 K170 V175 F176N109-N111 PolarHBondContact O-N 2.86Å; N109-N111 WeakPolarHBondContact OD1-CB 3.43Å; N109-N111 PolarHBondContact OD1-N 2.75Å; N111-V113 PolarHBondContact O-N 3.05Å; N111-K170 PolarHBondContact O-NZ 3Å; N111-V175 HydrophobicContact CB-CG1 4.24Å; N111-V175 PolarHBondContact ND2-O 3.43Å; N111-F176 HydrophobicContact CB-CD1 4.08Å; N111-F176 HydrophobicContact CB-CE1 3.53Å; N111-F176 HydrophobicContact CB-CZ 3.82Å; N111-F176 WeakPolarHBondContact O-CZ 3.26Å
112M94.9Very high94.9Very high13 Ų1339.7 Ų39.76%0.06420%0.203CC..  trans-53.2126.5178.9-177.7174.772.100110.2I10 A79 A82 A104 S108 N109 I114I10-M112 HydrophobicContact CD1-SD 4.41Å; A79-M112 HydrophobicContact CB-SD 3.72Å; A82-M112 HydrophobicContact CB-CE 3.84Å; A82-M112 HydrophobicContact CB-SD 3.91Å; A104-M112 HydrophobicContact CB-CE 4.04Å; S108-M112 VanDerWaalsContact CB-SD 3.6Å; S108-M112 WeakPolarHBondContact OG-CE 3.38Å; N109-M112 VanDerWaalsContact O-CB 3.23Å; N109-M112 WeakPolarHBondContact O-CB 3.5Å; N109-M112 PolarHBondContact O-N 2.91Å; M112-I114 HydrophobicContact CE-CD1 3.75Å; M112-I114 HydrophobicContact CE-CG1 3.88Å; M112-I114 HydrophobicContact CG-CG1 4.48Å
113V97.2Very high95Very high4 Ų436.8 Ų36.82%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-78.6130.4176.6173.50000108.9A80 G81 A82 N111 I144 T163 E166 I167 K170A80-V113 PolarHBondContact O-N 2.8Å; G81-V113 CarbonylContact C-O 3.48Å; G81-V113 WeakPolarHBondContact CA-O 3.19Å; A82-V113 PolarHBondContact N-O 3.04Å; N111-V113 PolarHBondContact O-N 3.05Å; V113-I144 HydrophobicContact CG1-CD1 4.09Å; V113-T163 HydrophobicContact CG1-CG2 3.99Å; V113-E166 HydrophobicContact CB-CG 4.25Å; V113-E166 HydrophobicContact CG1-CB 3.9Å; V113-E166 HydrophobicContact CG1-CG 3.6Å; V113-E166 HydrophobicContact CG2-CB 4.24Å; V113-E166 HydrophobicContact CG2-CG 3.57Å; V113-I167 HydrophobicContact CB-CD1 4.35Å; V113-I167 HydrophobicContact CB-CG1 3.71Å; V113-I167 HydrophobicContact CG1-CG1 4.47Å; V113-I167 HydrophobicContact CG2-CB 4.47Å; V113-I167 HydrophobicContact CG2-CG1 3.52Å; V113-K170 HydrophobicContact CG2-CD 3.88Å
114I98.1Very high95.3Very high13 Ų1341.4 Ų41.47%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-120.6124.2179.8-53.5-177.7000109.3A82 L84 L101 M112 L143 I144A82-I114 HydrophobicContact CB-CG1 4.29Å; A82-I114 WeakPolarHBondContact O-CA 3.12Å; 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 4.48Å; I114-L143 HydrophobicContact CB-CD2 3.83Å; I114-L143 HydrophobicContact CD1-CD2 4.37Å; I114-L143 HydrophobicContact CG2-CD1 4.45Å; I114-L143 HydrophobicContact CG2-CD2 4Å; I114-I144 PolarHBondContact O-N 2.89Å; I114-I144 VanDerWaalsContact O-N 3.1Å
115M98.5Very high95.5Very high0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-104.1116.4171.8171.274.571.500108.7A82 L83 L84 I117 I144 M146 N162 T163A82-M115 PolarHBondContact O-N 3.49Å; L83-M115 WeakPolarHBondContact CA-O 3.48Å; L83-M115 HydrophobicContact CD2-CB 3.68Å; L83-M115 HydrophobicContact CD2-CG 4.02Å; L84-M115 PolarHBondContact N-O 2.8Å; M115-I117 HydrophobicContact CG-CD1 4.19Å; M115-I117 HydrophobicContact CG-CG1 3.73Å; M115-I144 CarbonylContact C-O 3.56Å; M115-I144 HydrophobicContact CE-CB 3.83Å; M115-I144 HydrophobicContact CE-CD1 4.32Å; M115-I144 HydrophobicContact CE-CG2 3.43Å; M115-I144 VanDerWaalsContact CE-CG2 3.43Å; M115-I144 HydrophobicContact SD-CB 3.79Å; M115-I144 HydrophobicContact SD-CG2 3.63Å; M115-M146 HydrophobicContact SD-CB 4.04Å; M115-N162 HydrophobicContact CE-CB 3.98Å; M115-T163 WeakPolarHBondContact CB-OG1 3.23Å
116L98.8Very high95.7Very high0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-77.9126.4168.618066.5000109.8L84 Y86 L97 F137 A138 L143 I144 F145 M146L84-L116 HydrophobicContact CD2-CD1 4.2Å; L84-L116 HydrophobicContact CG-CD1 4.1Å; L84-L116 CarbonylContact O-C 3.54Å; L84-L116 WeakPolarHBondContact O-CA 3.08Å; Y86-L116 HydrophobicContact CD1-CD1 3.9Å; Y86-L116 HydrophobicContact CD1-CG 4.44Å; Y86-L116 HydrophobicContact CE1-CD1 4.11Å; Y86-L116 HydrophobicContact CE1-CD2 4.42Å; Y86-L116 HydrophobicContact CE1-CG 4.17Å; L97-L116 HydrophobicContact CD1-CD1 3.71Å; L97-L116 HydrophobicContact CD2-CD1 3.54Å; L97-L116 HydrophobicContact CG-CD1 4.27Å; L116-F137 HydrophobicContact CD2-CB 4.44Å; L116-F137 HydrophobicContact CD2-CD1 3.8Å; L116-F137 HydrophobicContact CD2-CG 4.5Å; L116-A138 HydrophobicContact CB-CB 4.44Å; L116-A138 HydrophobicContact CD2-CB 4.03Å; L116-L143 HydrophobicContact CB-CD1 4.28Å; L116-I144 PolarHBondContact N-O 2.91Å; L116-F145 HydrophobicContact CB-CD2 4.09Å; L116-F145 HydrophobicContact CD2-CD2 3.72Å; L116-F145 HydrophobicContact CD2-CE2 4.18Å; L116-F145 HydrophobicContact CG-CD2 3.81Å; L116-F145 HydrophobicContact CG-CE2 4.29Å; L116-F145 WeakPolarHBondContact O-CA 3.38Å; L116-M146 PolarHBondContact O-N 3.07Å
117I98.9Very high96Very high0 Ų045.7 Ų45.70%024%0.241CC..EExtended strand (participates in β ladder)trans-119.4115.3-178.7-60.5-176000110.5L22 L83 L84 V85 Y86 M115 N119 M146 T148 A159L22-I117 HydrophobicContact CD1-CD1 4.48Å; L22-I117 HydrophobicContact CD1-CG2 4.12Å; L83-I117 HydrophobicContact CB-CD1 4.02Å; L83-I117 HydrophobicContact CD1-CD1 3.95Å; L83-I117 HydrophobicContact CD2-CD1 4.14Å; L83-I117 HydrophobicContact CG-CD1 4.25Å; L84-I117 PolarHBondContact O-N 3.33Å; V85-I117 WeakPolarHBondContact CA-O 3.47Å; V85-I117 HydrophobicContact CG1-CB 4.32Å; V85-I117 HydrophobicContact CG1-CG2 4.22Å; V85-I117 HydrophobicContact CG2-CB 4.24Å; V85-I117 HydrophobicContact CG2-CD1 4.48Å; Y86-I117 VanDerWaalsContact CD1-O 3.27Å; Y86-I117 WeakPolarHBondContact CD1-O 3.27Å; Y86-I117 PolarHBondContact N-O 3Å; M115-I117 HydrophobicContact CG-CD1 4.19Å; M115-I117 HydrophobicContact CG-CG1 3.73Å; I117-N119 HydrophobicContact CG2-CB 4.23Å; I117-N119 PolarHBondContact O-N 2.99Å; I117-M146 VanDerWaalsContact CA-O 3.3Å; I117-M146 WeakPolarHBondContact CA-O 3.47Å; I117-T148 HydrophobicContact CG2-CG2 3.67Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.1Å; I117-A159 HydrophobicContact CD1-CB 3.88Å
118G98.9Very high96.3Very high0 Ų047.5 Ų47.50%025%0.249CC..EExtended strand (participates in β ladder)trans-84.794164.100000110.3Y86 M146 E147 T148Y86-G118 VanDerWaalsContact CZ-CA 3.43Å; G118-M146 PolarHBondContact N-O 3.41Å; G118-E147 CarbonylContact O-C 3.57Å; G118-E147 WeakPolarHBondContact O-CA 3.3Å; G118-T148 PolarHBondContact O-N 2.88Å
119N98.8Very high96.8Very high3 Ų346.3 Ų46.32%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-86.2163.4-175.5-166.832.1000112.3V17 L22 V85 Y86 I88 I117 T148 A150V17-N119 PolarHBondContact O-ND2 2.91Å; L22-N119 HydrophobicContact CD1-CB 4.33Å; V85-N119 HydrophobicContact CG1-CB 3.81Å; Y86-N119 PolarHBondContact O-N 2.95Å; I88-N119 WeakPolarHBondContact CG1-O 3.43Å; I88-N119 PolarHBondContact N-O 3.31Å; I117-N119 HydrophobicContact CG2-CB 4.23Å; I117-N119 PolarHBondContact O-N 2.99Å; N119-T148 CarbonylContact C-O 3.58Å; N119-T148 WeakPolarHBondContact CA-O 3.28Å; N119-T148 PolarHBondContact OD1-O 3.46Å; N119-T148 PolarHBondContact OD1-OG1 2.84Å; N119-A150 PolarHBondContact OD1-N 3.38Å
120K98.3Very high97.3Very high52 Ų5250.9 Ų50.923%0.22626%0.259CS..  trans71.634.2-178.4-44.8-169.6-166.8169.70114.4G16 D87 I88 D122 L123 T148G16-K120 WeakPolarHBondContact O-CE 3.27Å; G16-K120 PolarHBondContact O-NZ 2.86Å; D87-K120 WeakPolarHBondContact OD1-CD 3.44Å; D87-K120 VanDerWaalsContact OD2-CE 3.26Å; D87-K120 WeakPolarHBondContact OD2-CE 3.48Å; D87-K120 IonicContact OD2-NZ 3.65Å; D87-K120 PolarHBondContact OD2-NZ 3.04Å; I88-K120 WeakPolarHBondContact CD1-O 3.36Å; K120-D122 PolarHBondContact O-N 3.06Å; K120-L123 HydrophobicContact CB-CD1 4.15Å; K120-L123 HydrophobicContact CB-CG 4.39Å; K120-L123 HydrophobicContact CD-CD1 4.15Å; K120-L123 WeakPolarHBondContact O-CB 3.44Å; K120-L123 PolarHBondContact O-N 3.34Å; K120-T148 PolarHBondContact N-O 3.34Å
121S98.6Very high97.8Very high27 Ų2749.6 Ų49.619%0.18924%0.239CC..G310 helixtrans-56.1-1717253.70000114.7L123 T148 S149S121-L123 PolarHBondContact O-N 3.06Å; S121-T148 PolarHBondContact N-O 3.11Å; S121-T148 PolarHBondContact OG-O 3.49Å; S121-S149 WeakPolarHBondContact OG-CB 3.47Å; S121-S149 PolarHBondContact OG-N 3.18Å
122D98.3Very high98.2Very high52 Ų5253.3 Ų53.328%0.27826%0.255SS..G310 helixtrans-69.6-13.5171.160.8-79.2000114.1K120 S149 K151 T152K120-D122 PolarHBondContact O-N 3.06Å; D122-S149 WeakPolarHBondContact CB-OG 3.22Å; D122-S149 VanDerWaalsContact CG-OG 3.27Å; D122-S149 WeakPolarHBondContact OD1-CB 3.27Å; D122-S149 PolarHBondContact OD1-OG 3.28Å; D122-K151 WeakPolarHBondContact OD2-CD 3.34Å; D122-K151 IonicContact OD2-NZ 2.67Å; D122-T152 HydrophobicContact CB-CG2 3.94Å
123L97.6Very high98.3Very high46 Ų4655.7 Ų55.724%0.24127%0.266CS..G310 helixtrans-101.440.6-179.6-58-177.6000112.4T89 K120 S121 S125 R126T89-L123 HydrophobicContact CG2-CB 3.6Å; T89-L123 HydrophobicContact CG2-CD1 4.06Å; T89-L123 HydrophobicContact CG2-CG 4.48Å; K120-L123 HydrophobicContact CB-CD1 4.15Å; K120-L123 HydrophobicContact CB-CG 4.39Å; K120-L123 HydrophobicContact CD-CD1 4.15Å; K120-L123 WeakPolarHBondContact O-CB 3.44Å; K120-L123 PolarHBondContact O-N 3.34Å; S121-L123 PolarHBondContact O-N 3.06Å; L123-S125 PolarHBondContact O-N 3.38Å; L123-S125 VanDerWaalsContact O-N 3.11Å; L123-R126 PolarHBondContact O-N 2.59Å
124E97.6Very high98.4Very high106 Ų10655.5 Ų55.550%0.49526%0.264SS..G310 helixtrans-52.4-36.6-174.9-170.158.6-14800113.8R126 R127E124-R126 PolarHBondContact O-N 3.39Å; E124-R126 VanDerWaalsContact O-N 3.11Å; E124-R127 VanDerWaalsContact CD-NE 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.3Å; E124-R127 WeakPolarHBondContact O-CB 3.33Å; E124-R127 PolarHBondContact O-N 3.21Å; E124-R127 VanDerWaalsContact O-N 3.12Å; E124-R127 WeakPolarHBondContact OE1-CD 3.37Å; E124-R127 IonicContact OE1-CZ 3.58Å; E124-R127 IonicContact OE1-NE 3.03Å; E124-R127 PolarHBondContact OE1-NE 3.38Å; E124-R127 IonicContact OE1-NH2 3.27Å; E124-R127 IonicContact OE2-CZ 2.68Å; E124-R127 VanDerWaalsContact OE2-CZ 3.3Å; E124-R127 IonicContact OE2-NE 3.24Å; E124-R127 PolarHBondContact OE2-NE 2.96Å; E124-R127 IonicContact OE2-NH2 2.64Å; E124-R127 PolarHBondContact OE2-NH2 3.13Å
125S97.9Very high98.4Very high119 Ų11957.9 Ų57.983%0.83228%0.276SS*.G310 helixtrans-66.5-11.8178.159.90000114.7L123L123-S125 PolarHBondContact O-N 3.38Å; L123-S125 VanDerWaalsContact O-N 3.11Å
126R98Very high98.4Very high175 Ų17560.1 Ų60.166%0.6629%0.294SS*.G310 helixtrans-114.912.7177.6-58.6-176.4-177.6-177-0.2112.2T89 L123 E124 E128T89-R126 VanDerWaalsContact CA-O 3.31Å; T89-R126 WeakPolarHBondContact CA-O 3.43Å; T89-R126 WeakPolarHBondContact CB-O 3.33Å; T89-R126 HydrophobicContact CG2-CB 3.91Å; L123-R126 PolarHBondContact O-N 2.59Å; E124-R126 PolarHBondContact O-N 3.39Å; E124-R126 VanDerWaalsContact O-N 3.11Å; R126-E128 PolarHBondContact O-N 2.91Å
127R98.6Very high98.4Very high56 Ų5661 Ų6121%0.21130%0.297CS..  trans-60.3126.3-178.7178.8-179.3-71-85.45.5110.8I88 E124 V129 E147I88-R127 HydrophobicContact CD1-CB 4.49Å; I88-R127 HydrophobicContact CD1-CG 4.48Å; E124-R127 VanDerWaalsContact CD-NE 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.3Å; E124-R127 WeakPolarHBondContact O-CB 3.33Å; E124-R127 PolarHBondContact O-N 3.21Å; E124-R127 VanDerWaalsContact O-N 3.12Å; E124-R127 WeakPolarHBondContact OE1-CD 3.37Å; E124-R127 IonicContact OE1-CZ 3.58Å; E124-R127 IonicContact OE1-NE 3.03Å; E124-R127 PolarHBondContact OE1-NE 3.38Å; E124-R127 IonicContact OE1-NH2 3.27Å; E124-R127 IonicContact OE2-CZ 2.68Å; E124-R127 VanDerWaalsContact OE2-CZ 3.3Å; E124-R127 IonicContact OE2-NE 3.24Å; E124-R127 PolarHBondContact OE2-NE 2.96Å; E124-R127 IonicContact OE2-NH2 2.64Å; E124-R127 PolarHBondContact OE2-NH2 3.13Å; R127-V129 VanDerWaalsContact CD-O 3.28Å; R127-V129 WeakPolarHBondContact CD-O 3.26Å; R127-V129 WeakPolarHBondContact CG-O 3.26Å; R127-V129 PolarHBondContact NH1-O 3.49Å; R127-E147 IonicContact CZ-OE1 3.85Å; R127-E147 IonicContact CZ-OE2 3.3Å; R127-E147 IonicContact NH1-OE1 2.73Å; R127-E147 PolarHBondContact NH1-OE1 2.89Å; R127-E147 IonicContact NH1-OE2 2.99Å; R127-E147 IonicContact NH2-OE1 3.59Å; R127-E147 PolarHBondContact NH2-OE1 2.95Å; R127-E147 IonicContact NH2-OE2 2.76Å; R127-E147 PolarHBondContact NH2-OE2 2.89Å
128E98.7Very high98.4Very high108 Ų10861 Ų6151%0.50530%0.298SS..  trans-109.4-20.1173.2-65.5-174.2179.300112.3I88 R90 R91 R126I88-E128 PolarHBondContact O-N 2.88Å; R90-E128 WeakPolarHBondContact CA-OE2 3.47Å; R91-E128 HydrophobicContact CB-CB 4.3Å; R91-E128 PolarHBondContact N-OE2 2.86Å; R91-E128 PolarHBondContact NE-O 2.74Å; R91-E128 PolarHBondContact NH2-O 2.89Å; R126-E128 PolarHBondContact O-N 2.91Å
129V98.6Very high98.4Very high0 Ų069.9 Ų69.90%033%0.331CS..SBendtrans-116.1119.8179.7-174.10000109.6Y86 I88 F94 R127 E133Y86-V129 HydrophobicContact CD2-CG2 4.49Å; Y86-V129 HydrophobicContact CE2-CB 3.98Å; Y86-V129 HydrophobicContact CE2-CG1 3.81Å; Y86-V129 HydrophobicContact CE2-CG2 4.18Å; I88-V129 PolarHBondContact O-N 3.33Å; I88-V129 VanDerWaalsContact O-N 3.11Å; F94-V129 HydrophobicContact CB-CG1 4.41Å; F94-V129 HydrophobicContact CB-CG2 3.77Å; F94-V129 HydrophobicContact CD1-CG1 4.4Å; F94-V129 HydrophobicContact CD2-CG1 3.67Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.9Å; F94-V129 HydrophobicContact CG-CG2 4.14Å; F94-V129 HydrophobicContact CZ-CG1 4.45Å; R127-V129 VanDerWaalsContact CD-O 3.28Å; R127-V129 WeakPolarHBondContact CD-O 3.26Å; R127-V129 WeakPolarHBondContact CG-O 3.26Å; R127-V129 PolarHBondContact NH1-O 3.49Å; V129-E133 HydrophobicContact CG1-CB 4.16Å
130K98.5Very high98.3Very high135 Ų13577 Ų7759%0.58737%0.365SS*.  trans-70.7149.1176.9-61.3-175.2178.4-179.70110.5E132 E133K130-E132 WeakPolarHBondContact CB-OE2 3.41Å; K130-E132 PolarHBondContact O-N 3.42Å; K130-E133 HydrophobicContact CB-CG 4.15Å; K130-E133 WeakPolarHBondContact CB-OE2 3.45Å; K130-E133 PolarHBondContact N-OE2 2.84Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 3.43Å; K130-E133 VanDerWaalsContact O-N 3.07Å
131K98.4Very high98.3Very high89 Ų8976.4 Ų76.439%0.38736%0.363SS..Hα-helixtrans-58.4-38.1179.5-171.5-176.1179.6-131.70111.6E133 G134 E135 F145 E147K131-E133 PolarHBondContact O-N 2.87Å; K131-G134 PolarHBondContact O-N 2.89Å; K131-G134 VanDerWaalsContact O-N 3.14Å; K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 IonicContact NZ-OE1 3.54Å; K131-E135 PolarHBondContact NZ-OE1 2.95Å; K131-E135 PolarHBondContact O-N 3.44Å; K131-F145 HydrophobicContact CG-CE1 3.87Å; K131-F145 HydrophobicContact CG-CZ 4.35Å; K131-E147 HydrophobicContact CG-CG 4.3Å
132E98.5Very high98.2Very high121 Ų12178.4 Ų78.457%0.56539%0.388SS*.Hα-helixtrans-62.7-28.9179.8-60.575.2-163.200112.4K130 A136K130-E132 WeakPolarHBondContact CB-OE2 3.41Å; K130-E132 PolarHBondContact O-N 3.42Å; E132-A136 VanDerWaalsContact O-CB 3.23Å; E132-A136 WeakPolarHBondContact O-CB 3.31Å; E132-A136 PolarHBondContact O-N 3.48Å
133E98.5Very high98.1Very high63 Ų6376.9 Ų76.929%0.29438%0.38SS..Hα-helixtrans-71.1-40.6176.5-62.2177.185.900111.1R91 F94 V129 K130 K131 A136 F137R91-E133 IonicContact CZ-OE1 3.71Å; R91-E133 VanDerWaalsContact CZ-OE1 3.27Å; R91-E133 IonicContact CZ-OE2 2.91Å; R91-E133 IonicContact NH1-OE1 3.71Å; R91-E133 PolarHBondContact NH1-OE1 3.09Å; R91-E133 IonicContact NH1-OE2 2.67Å; R91-E133 VanDerWaalsContact NH2-CD 3.27Å; R91-E133 IonicContact NH2-OE1 3.75Å; R91-E133 PolarHBondContact NH2-OE1 3.31Å; R91-E133 IonicContact NH2-OE2 3.74Å; R91-E133 PolarHBondContact NH2-OE2 3.07Å; F94-E133 HydrophobicContact CZ-CB 4.03Å; V129-E133 HydrophobicContact CG1-CB 4.16Å; K130-E133 HydrophobicContact CB-CG 4.15Å; K130-E133 WeakPolarHBondContact CB-OE2 3.45Å; K130-E133 PolarHBondContact N-OE2 2.84Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 3.43Å; K130-E133 VanDerWaalsContact O-N 3.07Å; K131-E133 PolarHBondContact O-N 2.87Å; E133-A136 PolarHBondContact O-N 2.94Å; E133-F137 WeakPolarHBondContact O-CB 3.44Å; E133-F137 PolarHBondContact O-N 3.12Å
134G98.6Very high98.1Very high0 Ų077.1 Ų77.10%038%0.381CS..Hα-helixtrans-63.9-44.4172.400000112.5K131 A136 F137 A138K131-G134 PolarHBondContact O-N 2.89Å; K131-G134 VanDerWaalsContact O-N 3.14Å; G134-A136 VanDerWaalsContact C-N 3.35Å; G134-A136 PolarHBondContact O-N 2.84Å; G134-F137 PolarHBondContact O-N 2.9Å; G134-A138 WeakPolarHBondContact O-CB 3.41Å; G134-A138 PolarHBondContact O-N 3.26Å
135E98.6Very high98.2Very high64 Ų6473.9 Ų73.930%0.29937%0.365SS..Hα-helixtrans-62.8-39.2175.4-70.2175.3179.300112.3K131 R139 F145K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 IonicContact NZ-OE1 3.54Å; K131-E135 PolarHBondContact NZ-OE1 2.95Å; K131-E135 PolarHBondContact O-N 3.44Å; E135-R139 WeakPolarHBondContact O-CB 3.23Å; E135-R139 PolarHBondContact O-N 2.97Å; E135-R139 VanDerWaalsContact O-N 3.13Å; E135-F145 HydrophobicContact CB-CD1 4.32Å; E135-F145 HydrophobicContact CG-CD1 3.4Å; E135-F145 VanDerWaalsContact CG-CD1 3.4Å; E135-F145 HydrophobicContact CG-CE1 3.57Å; E135-F145 HydrophobicContact CG-CG 4.42Å
136A98.7Very high98.2Very high46 Ų4669.7 Ų69.738%0.3833%0.333SS..Hα-helixtrans-66.4-49.6176.200000111.6E132 E133 G134 A138 R139 E140E132-A136 VanDerWaalsContact O-CB 3.23Å; E132-A136 WeakPolarHBondContact O-CB 3.31Å; E132-A136 PolarHBondContact O-N 3.48Å; E133-A136 PolarHBondContact O-N 2.94Å; G134-A136 VanDerWaalsContact C-N 3.35Å; G134-A136 PolarHBondContact O-N 2.84Å; A136-A138 VanDerWaalsContact C-N 3.35Å; A136-A138 PolarHBondContact O-N 3.11Å; A136-R139 PolarHBondContact O-N 2.76Å; A136-E140 WeakPolarHBondContact O-CB 3.37Å; A136-E140 PolarHBondContact O-N 3.28Å
137F98.7Very high98.3Very high18 Ų1862.3 Ų62.38%0.07931%0.306CS..Hα-helixtrans-58.8-45.6178.7-177-81.3000111.8F94 L97 L101 L116 E133 G134 R139 E140 H141 L143F94-F137 HydrophobicContact CE2-CB 4.36Å; F94-F137 HydrophobicContact CZ-CB 4.03Å; 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 4.03Å; L97-F137 HydrophobicContact CB-CZ 3.58Å; L97-F137 HydrophobicContact CD1-CD1 4.4Å; L97-F137 HydrophobicContact CD1-CE1 4.36Å; L101-F137 HydrophobicContact CD2-CE1 4.19Å; L101-F137 HydrophobicContact CD2-CZ 4.19Å; L116-F137 HydrophobicContact CD2-CB 4.44Å; L116-F137 HydrophobicContact CD2-CD1 3.8Å; L116-F137 HydrophobicContact CD2-CG 4.5Å; E133-F137 WeakPolarHBondContact O-CB 3.44Å; E133-F137 PolarHBondContact O-N 3.12Å; G134-F137 PolarHBondContact O-N 2.9Å; F137-R139 PolarHBondContact O-N 2.99Å; F137-E140 PolarHBondContact O-N 3.1Å; F137-H141 AromaticContact CD1-ND1 3.9Å; F137-H141 AromaticContact CD2-CE1 3.96Å; F137-H141 AromaticContact CD2-ND1 3.97Å; F137-H141 AromaticContact CE1-ND1 3.82Å; F137-H141 AromaticContact CE2-CE1 3.64Å; F137-H141 AromaticContact CE2-ND1 3.88Å; F137-H141 AromaticContact CG-ND1 3.99Å; F137-H141 AromaticContact CZ-CE1 3.83Å; F137-H141 AromaticContact CZ-ND1 3.8Å; F137-H141 WeakPolarHBondContact O-CB 3.41Å; F137-H141 PolarHBondContact O-N 3.39Å; F137-H141 VanDerWaalsContact O-N 3.09Å; F137-H141 PolarHBondContact O-ND1 3.37Å; F137-L143 HydrophobicContact CD1-CD1 4.2Å; F137-L143 HydrophobicContact CE1-CD1 3.92Å
138A98.6Very high98.3Very high2 Ų259.7 Ų59.72%0.01730%0.296CS..Hα-helixtrans-62.5-43.4178.900000111.9L116 G134 A136 H141 G142 L143 F145L116-A138 HydrophobicContact CB-CB 4.44Å; L116-A138 HydrophobicContact CD2-CB 4.03Å; G134-A138 WeakPolarHBondContact O-CB 3.41Å; G134-A138 PolarHBondContact O-N 3.26Å; A136-A138 VanDerWaalsContact C-N 3.35Å; A136-A138 PolarHBondContact O-N 3.11Å; A138-H141 CarbonylContact O-C 3.53Å; A138-H141 PolarHBondContact O-N 3.35Å; A138-G142 PolarHBondContact O-N 3.49Å; A138-L143 HydrophobicContact CB-CB 4.09Å; A138-L143 PolarHBondContact O-N 2.94Å; A138-F145 HydrophobicContact CB-CB 3.65Å; A138-F145 HydrophobicContact CB-CG 4.43Å
139R98.1Very high98.3Very high185 Ų18554.5 Ų54.570%0.69827%0.272SS*.Hα-helixtrans-63.4-45.8177.3-169.2-169.8-24.8-138.4-2.2112.3E135 A136 F137 H141 G142E135-R139 WeakPolarHBondContact O-CB 3.23Å; E135-R139 PolarHBondContact O-N 2.97Å; E135-R139 VanDerWaalsContact O-N 3.13Å; A136-R139 PolarHBondContact O-N 2.76Å; F137-R139 PolarHBondContact O-N 2.99Å; R139-H141 PolarHBondContact O-N 2.61Å; R139-G142 PolarHBondContact O-N 2.92Å
140E98Very high98.2Very high153 Ų15354.7 Ų54.772%0.71527%0.273SS*.Hα-helixtrans-57.8-38177.5-178.6178.618000111.6A136 F137A136-E140 WeakPolarHBondContact O-CB 3.37Å; A136-E140 PolarHBondContact O-N 3.28Å; F137-E140 PolarHBondContact O-N 3.1Å
141H97Very high98.2Very high39 Ų3953.9 Ų53.918%0.18127%0.269CS..Hα-helixtrans-98.94.5-177.4-65.388.9000114.1L101 R105 F137 A138 R139 L143L101-H141 HydrophobicContact CD2-CB 3.68Å; L101-H141 WeakPolarHBondContact CD2-CD2 3.5Å; R105-H141 PolarHBondContact NH2-O 3.42Å; F137-H141 AromaticContact CD1-ND1 3.9Å; F137-H141 AromaticContact CD2-CE1 3.96Å; F137-H141 AromaticContact CD2-ND1 3.97Å; F137-H141 AromaticContact CE1-ND1 3.82Å; F137-H141 AromaticContact CE2-CE1 3.64Å; F137-H141 AromaticContact CE2-ND1 3.88Å; F137-H141 AromaticContact CG-ND1 3.99Å; F137-H141 AromaticContact CZ-CE1 3.83Å; F137-H141 AromaticContact CZ-ND1 3.8Å; F137-H141 WeakPolarHBondContact O-CB 3.41Å; F137-H141 PolarHBondContact O-N 3.39Å; F137-H141 VanDerWaalsContact O-N 3.09Å; F137-H141 PolarHBondContact O-ND1 3.37Å; A138-H141 CarbonylContact O-C 3.53Å; A138-H141 PolarHBondContact O-N 3.35Å; R139-H141 PolarHBondContact O-N 2.61Å; H141-L143 HydrophobicContact CB-CD1 3.99Å; H141-L143 HydrophobicContact CB-CD2 4.09Å; H141-L143 HydrophobicContact CB-CG 3.76Å; H141-L143 WeakPolarHBondContact O-CD2 3.28Å; H141-L143 PolarHBondContact O-N 3.11Å
142G96.3Very high98.1Very high70 Ų7053.8 Ų53.872%0.72228%0.276SS*.THydrogen-bonded Turntrans61.941-178.800000113.9A138 R139A138-G142 PolarHBondContact O-N 3.49Å; R139-G142 PolarHBondContact O-N 2.92Å
143L97.9Very high98.1Very high20 Ų2049.9 Ų49.911%0.10527%0.265CS..  trans-106.1156.5177.5-38.2177.5000109.9L101 I114 L116 F137 A138 H141L101-L143 HydrophobicContact CD1-CD1 4.35Å; L101-L143 HydrophobicContact CD1-CD2 3.93Å; L101-L143 HydrophobicContact CD2-CD1 4.26Å; I114-L143 HydrophobicContact CB-CD2 3.83Å; I114-L143 HydrophobicContact CD1-CD2 4.37Å; I114-L143 HydrophobicContact CG2-CD1 4.45Å; I114-L143 HydrophobicContact CG2-CD2 4Å; L116-L143 HydrophobicContact CB-CD1 4.28Å; F137-L143 HydrophobicContact CD1-CD1 4.2Å; F137-L143 HydrophobicContact CE1-CD1 3.92Å; A138-L143 HydrophobicContact CB-CB 4.09Å; A138-L143 PolarHBondContact O-N 2.94Å; H141-L143 HydrophobicContact CB-CD1 3.99Å; H141-L143 HydrophobicContact CB-CD2 4.09Å; H141-L143 HydrophobicContact CB-CG 3.76Å; H141-L143 WeakPolarHBondContact O-CD2 3.28Å; H141-L143 PolarHBondContact O-N 3.11Å
144I97.6Very high98.1Very high51 Ų5149.4 Ų49.426%0.26227%0.268SS..EExtended strand (participates in β ladder)trans-80.3149.4165.5-49170.2000107.8V113 I114 M115 L116 E166V113-I144 HydrophobicContact CG1-CD1 4.09Å; I114-I144 PolarHBondContact O-N 2.89Å; I114-I144 VanDerWaalsContact O-N 3.1Å; M115-I144 CarbonylContact C-O 3.56Å; M115-I144 HydrophobicContact CE-CB 3.83Å; M115-I144 HydrophobicContact CE-CD1 4.32Å; M115-I144 HydrophobicContact CE-CG2 3.43Å; M115-I144 VanDerWaalsContact CE-CG2 3.43Å; M115-I144 HydrophobicContact SD-CB 3.79Å; M115-I144 HydrophobicContact SD-CG2 3.63Å; L116-I144 PolarHBondContact N-O 2.91Å; I144-E166 HydrophobicContact CD1-CB 3.87Å; I144-E166 HydrophobicContact CD1-CG 3.94Å
145F98.6Very high98.1Very high37 Ų3752.2 Ų52.216%0.16228%0.284CS..EExtended strand (participates in β ladder)trans-128140.8178.6177.1-110.3000112.9Y86 L116 K131 E135 A138 E147Y86-F145 HydrophobicContact CE1-CE2 4.19Å; L116-F145 HydrophobicContact CB-CD2 4.09Å; L116-F145 HydrophobicContact CD2-CD2 3.72Å; L116-F145 HydrophobicContact CD2-CE2 4.18Å; L116-F145 HydrophobicContact CG-CD2 3.81Å; L116-F145 HydrophobicContact CG-CE2 4.29Å; L116-F145 WeakPolarHBondContact O-CA 3.38Å; K131-F145 HydrophobicContact CG-CE1 3.87Å; K131-F145 HydrophobicContact CG-CZ 4.35Å; E135-F145 HydrophobicContact CB-CD1 4.32Å; E135-F145 HydrophobicContact CG-CD1 3.4Å; E135-F145 VanDerWaalsContact CG-CD1 3.4Å; E135-F145 HydrophobicContact CG-CE1 3.57Å; E135-F145 HydrophobicContact CG-CG 4.42Å; A138-F145 HydrophobicContact CB-CB 3.65Å; A138-F145 HydrophobicContact CB-CG 4.43Å; F145-E147 HydrophobicContact CE1-CG 4.13Å; F145-E147 HydrophobicContact CZ-CG 3.66Å
146M98.4Very high98.1Very high32 Ų3249.3 Ų49.316%0.15827%0.27CS..EExtended strand (participates in β ladder)trans-151.5144.1171.6-171.2164-79.800110.9M115 L116 I117 G118 T148 N155 E158 A159M115-M146 HydrophobicContact SD-CB 4.04Å; L116-M146 PolarHBondContact O-N 3.07Å; I117-M146 VanDerWaalsContact CA-O 3.3Å; I117-M146 WeakPolarHBondContact CA-O 3.47Å; G118-M146 PolarHBondContact N-O 3.41Å; M146-T148 HydrophobicContact CG-CG2 4.26Å; M146-N155 HydrophobicContact CG-CB 3.81Å; M146-N155 HydrophobicContact SD-CB 3.63Å; M146-E158 HydrophobicContact CE-CB 3.92Å; M146-E158 HydrophobicContact SD-CB 3.79Å; M146-A159 HydrophobicContact SD-CB 4.04Å
147E98.8Very high98.1Very high20 Ų2049 Ų499%0.09326%0.261CS..EExtended strand (participates in β ladder)trans-94.5138164-67.1-164.6159.800110.2G118 R127 K131 F145 N155G118-E147 CarbonylContact O-C 3.57Å; G118-E147 WeakPolarHBondContact O-CA 3.3Å; R127-E147 IonicContact CZ-OE1 3.85Å; R127-E147 IonicContact CZ-OE2 3.3Å; R127-E147 IonicContact NH1-OE1 2.73Å; R127-E147 PolarHBondContact NH1-OE1 2.89Å; R127-E147 IonicContact NH1-OE2 2.99Å; R127-E147 IonicContact NH2-OE1 3.59Å; R127-E147 PolarHBondContact NH2-OE1 2.95Å; R127-E147 IonicContact NH2-OE2 2.76Å; R127-E147 PolarHBondContact NH2-OE2 2.89Å; K131-E147 HydrophobicContact CG-CG 4.3Å; F145-E147 HydrophobicContact CE1-CG 4.13Å; F145-E147 HydrophobicContact CZ-CG 3.66Å; E147-N155 VanDerWaalsContact O-CB 3.23Å; E147-N155 WeakPolarHBondContact O-CB 3.45Å; E147-N155 PolarHBondContact O-ND2 2.86Å
148T98.8Very high98Very high0 Ų052.1 Ų52.10%028%0.276CS..EExtended strand (participates in β ladder)trans-129162.5-175.763.10000111.8I117 G118 N119 K120 S121 M146 S154 N155 A159I117-T148 HydrophobicContact CG2-CG2 3.67Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.1Å; G118-T148 PolarHBondContact O-N 2.88Å; N119-T148 CarbonylContact C-O 3.58Å; N119-T148 WeakPolarHBondContact CA-O 3.28Å; N119-T148 PolarHBondContact OD1-O 3.46Å; N119-T148 PolarHBondContact OD1-OG1 2.84Å; K120-T148 PolarHBondContact N-O 3.34Å; S121-T148 PolarHBondContact N-O 3.11Å; S121-T148 PolarHBondContact OG-O 3.49Å; M146-T148 HydrophobicContact CG-CG2 4.26Å; T148-S154 WeakPolarHBondContact CA-O 3.48Å; T148-N155 HydrophobicContact CG2-CB 4.01Å; T148-A159 HydrophobicContact CG2-CB 4.13Å
149S98.5Very high98Very high0 Ų052.1 Ų52.10%028%0.275CS..  trans-134.9106.9164.4168.20000109.1S121 D122 K151 T152 A153 S154S121-S149 WeakPolarHBondContact OG-CB 3.47Å; S121-S149 PolarHBondContact OG-N 3.18Å; D122-S149 WeakPolarHBondContact CB-OG 3.22Å; D122-S149 VanDerWaalsContact CG-OG 3.27Å; D122-S149 WeakPolarHBondContact OD1-CB 3.27Å; D122-S149 PolarHBondContact OD1-OG 3.28Å; S149-K151 PolarHBondContact O-N 3.01Å; S149-K151 PolarHBondContact OG-N 2.89Å; S149-T152 WeakPolarHBondContact CB-OG1 3.22Å; S149-T152 PolarHBondContact O-N 3.27Å; S149-T152 PolarHBondContact OG-N 3.4Å; S149-T152 PolarHBondContact OG-OG1 3.23Å; S149-A153 CarbonylContact O-C 3.58Å; S149-A153 VanDerWaalsContact O-CA 3.3Å; S149-A153 WeakPolarHBondContact O-CA 3.33Å; S149-A153 PolarHBondContact O-N 2.98Å; S149-S154 PolarHBondContact N-O 2.96Å; S149-S154 PolarHBondContact O-N 3.32Å
150A97.9Very high98.1Very high3 Ų343.3 Ų43.33%0.02524%0.242CC..THydrogen-bonded Turntrans-57.9-29.417100000112C21 L22 Q25 F31 N119C21-A150 HydrophobicContact CB-CB 3.67Å; L22-A150 HydrophobicContact CD2-CB 4Å; L22-A150 HydrophobicContact CG-CB 4.25Å; Q25-A150 WeakPolarHBondContact CG-O 3.36Å; Q25-A150 PolarHBondContact NE2-O 3.19Å; F31-A150 HydrophobicContact CD2-CB 4.22Å; F31-A150 WeakPolarHBondContact CD2-O 3.44Å; F31-A150 HydrophobicContact CE2-CB 4.3Å; N119-A150 PolarHBondContact OD1-N 3.38Å
151K97.4Very high98.1Very high118 Ų11837.7 Ų37.751%0.51322%0.217SC..THydrogen-bonded Turntrans-70.1-43.8-179.9-172.8-171.6-176.6-177.40113F31 D122 S149F31-K151 HydrophobicContact CD1-CB 4.44Å; F31-K151 HydrophobicContact CD1-CG 4.11Å; F31-K151 HydrophobicContact CD2-CB 4.21Å; F31-K151 HydrophobicContact CE1-CB 4.22Å; F31-K151 HydrophobicContact CE1-CG 3.91Å; F31-K151 HydrophobicContact CE2-CB 3.98Å; F31-K151 HydrophobicContact CG-CB 4.43Å; F31-K151 HydrophobicContact CZ-CB 3.99Å; F31-K151 HydrophobicContact CZ-CG 4.15Å; D122-K151 WeakPolarHBondContact OD2-CD 3.34Å; D122-K151 IonicContact OD2-NZ 2.67Å; S149-K151 PolarHBondContact O-N 3.01Å; S149-K151 PolarHBondContact OG-N 2.89Å
152T97.6Very high98.1Very high87 Ų8738.5 Ų38.553%0.53422%0.222SC..THydrogen-bonded Turntrans-99.8-1.6-176.262.60000113.4D122 S149 S154D122-T152 HydrophobicContact CB-CG2 3.94Å; S149-T152 WeakPolarHBondContact CB-OG1 3.22Å; S149-T152 PolarHBondContact O-N 3.27Å; S149-T152 PolarHBondContact OG-N 3.4Å; S149-T152 PolarHBondContact OG-OG1 3.23Å; T152-S154 PolarHBondContact O-N 3.48Å; T152-S154 WeakPolarHBondContact OG1-CB 3.47Å; T152-S154 PolarHBondContact OG1-N 2.56Å
153A98.1Very high98.2Very high40 Ų4035.2 Ų35.233%0.33119%0.188SC..  trans64.43.9-17000000115.1Q25 S149 N155 V156Q25-A153 HydrophobicContact CG-CB 4.01Å; S149-A153 CarbonylContact O-C 3.58Å; S149-A153 VanDerWaalsContact O-CA 3.3Å; S149-A153 WeakPolarHBondContact O-CA 3.33Å; S149-A153 PolarHBondContact O-N 2.98Å; A153-N155 PolarHBondContact O-N 3.33Å; A153-V156 PolarHBondContact O-N 3.38Å
154S98.6Very high98.2Very high52 Ų5234.2 Ų34.236%0.36418%0.183SC..THydrogen-bonded Turntrans-56.3123.8178.7-174.70000111T148 S149 T152 V156T148-S154 WeakPolarHBondContact CA-O 3.48Å; S149-S154 PolarHBondContact N-O 2.96Å; S149-S154 PolarHBondContact O-N 3.32Å; T152-S154 PolarHBondContact O-N 3.48Å; T152-S154 WeakPolarHBondContact OG1-CB 3.47Å; T152-S154 PolarHBondContact OG1-N 2.56Å; S154-V156 PolarHBondContact O-N 2.86Å
155N98.4Very high98.2Very high60 Ų6036 Ų3632%0.32119%0.189SC..THydrogen-bonded Turntrans60.38177.5-70.1-21.9000115.9M146 E147 T148 A153 E158 A159M146-N155 HydrophobicContact CG-CB 3.81Å; M146-N155 HydrophobicContact SD-CB 3.63Å; E147-N155 VanDerWaalsContact O-CB 3.23Å; E147-N155 WeakPolarHBondContact O-CB 3.45Å; E147-N155 PolarHBondContact O-ND2 2.86Å; T148-N155 HydrophobicContact CG2-CB 4.01Å; A153-N155 PolarHBondContact O-N 3.33Å; N155-E158 WeakPolarHBondContact CA-OE2 3.4Å; N155-A159 WeakPolarHBondContact O-CB 3.07Å; N155-A159 PolarHBondContact O-N 2.77Å
156V98.5Very high98.1Very high2 Ų237.3 Ų37.31%0.01220%0.195CC..Hα-helixtrans-69.1-45.3-177.7177.60000110.3L22 Q25 F26 A153 S154 E158 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 4.24Å; Q25-V156 HydrophobicContact CG-CG1 4Å; Q25-V156 HydrophobicContact CG-CG2 4.04Å; F26-V156 HydrophobicContact CB-CG1 4.05Å; A153-V156 PolarHBondContact O-N 3.38Å; S154-V156 PolarHBondContact O-N 2.86Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 2.84Å; V156-F160 HydrophobicContact CG1-CE2 4.34Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.46Å
157E97.7Very high98Very high40 Ų4035.8 Ų35.819%0.18719%0.188CC..Hα-helixtrans-63.5-45.1179.1-167.57818000111K29 R46 A159 F160 I161K29-E157 IonicContact NZ-OE2 2.79Å; K29-E157 PolarHBondContact NZ-OE2 3.03Å; R46-E157 IonicContact CZ-OE1 3.62Å; R46-E157 VanDerWaalsContact CZ-OE1 3.24Å; R46-E157 IonicContact CZ-OE2 3.6Å; R46-E157 VanDerWaalsContact NH1-CD 3.27Å; R46-E157 IonicContact NH1-OE1 3.43Å; R46-E157 PolarHBondContact NH1-OE1 2.75Å; R46-E157 IonicContact NH1-OE2 3.63Å; R46-E157 PolarHBondContact NH1-OE2 2.67Å; R46-E157 IonicContact NH2-OE1 3.49Å; R46-E157 PolarHBondContact NH2-OE1 2.73Å; R46-E157 IonicContact NH2-OE2 2.71Å; R46-E157 PolarHBondContact NH2-OE2 3.11Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.25Å; E157-F160 PolarHBondContact O-N 3.04Å; E157-I161 HydrophobicContact CG-CD1 3.61Å; E157-I161 HydrophobicContact CG-CG1 4.32Å; E157-I161 WeakPolarHBondContact O-CG1 3.46Å; E157-I161 PolarHBondContact O-N 3.26Å
158E98.3Very high97.9Very high84 Ų8435.4 Ų35.439%0.39319%0.186SC..Hα-helixtrans-61.7-40.7-176.4-65.377.9-176.100111.2M146 N155 V156 F160 I161 N162M146-E158 HydrophobicContact CE-CB 3.92Å; M146-E158 HydrophobicContact SD-CB 3.79Å; N155-E158 WeakPolarHBondContact CA-OE2 3.4Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 2.84Å; E158-F160 PolarHBondContact O-N 3.31Å; E158-I161 PolarHBondContact O-N 3.22Å; E158-N162 WeakPolarHBondContact O-CB 3.09Å; E158-N162 PolarHBondContact O-N 3.11Å
159A98.5Very high97.7Very high1 Ų140.1 Ų40.11%0.00821%0.208CC..Hα-helixtrans-59.5-45.6177.800000112.3I117 M146 T148 N155 E157 T163I117-A159 HydrophobicContact CD1-CB 3.88Å; M146-A159 HydrophobicContact SD-CB 4.04Å; T148-A159 HydrophobicContact CG2-CB 4.13Å; N155-A159 WeakPolarHBondContact O-CB 3.07Å; N155-A159 PolarHBondContact O-N 2.77Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.25Å; A159-T163 WeakPolarHBondContact O-CB 3.19Å; A159-T163 PolarHBondContact O-N 3.16Å; A159-T163 PolarHBondContact O-OG1 3.28Å
160F98.4Very high97.6Very high1 Ų142.2 Ų42.20%0.00422%0.217CC..Hα-helixtrans-73.2-42.3179.4-73.7-96.4000112.2Y9 I11 F26 L57 I59 L83 V156 E157 E158 A164Y9-F160 HydrophobicContact CD2-CD1 4.17Å; Y9-F160 HydrophobicContact CE2-CD1 4.33Å; Y9-F160 PolarHBondContact OH-O 3.3Å; I11-F160 HydrophobicContact CD1-CE1 4.3Å; I11-F160 HydrophobicContact CD1-CZ 4.02Å; F26-F160 HydrophobicContact CB-CD2 3.83Å; F26-F160 HydrophobicContact CB-CE2 3.58Å; F26-F160 HydrophobicContact CB-CG 4.41Å; F26-F160 HydrophobicContact CB-CZ 3.99Å; F26-F160 HydrophobicContact CD1-CB 4.41Å; F26-F160 AromaticContact CD1-CD1 3.79Å; F26-F160 HydrophobicContact CD1-CD1 3.79Å; F26-F160 HydrophobicContact CD1-CD2 4.13Å; F26-F160 HydrophobicContact CD1-CE1 4.02Å; F26-F160 HydrophobicContact CD1-CE2 4.34Å; F26-F160 AromaticContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CZ 4.28Å; F26-F160 HydrophobicContact CD2-CB 3.82Å; F26-F160 AromaticContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CE2 4.3Å; F26-F160 AromaticContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CE1-CB 4.1Å; F26-F160 AromaticContact CE1-CD1 3.9Å; F26-F160 HydrophobicContact CE1-CD1 3.9Å; F26-F160 AromaticContact CE1-CG 3.98Å; F26-F160 HydrophobicContact CE1-CG 3.98Å; F26-F160 HydrophobicContact CE2-CB 3.5Å; F26-F160 VanDerWaalsContact CE2-CB 3.5Å; F26-F160 HydrophobicContact CE2-CD2 4.23Å; F26-F160 AromaticContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CG-CB 4.28Å; F26-F160 HydrophobicContact CG-CD1 4.11Å; F26-F160 AromaticContact CG-CD2 3.58Å; F26-F160 HydrophobicContact CG-CD2 3.58Å; F26-F160 HydrophobicContact CG-CE1 4.33Å; F26-F160 AromaticContact CG-CE2 3.83Å; F26-F160 HydrophobicContact CG-CE2 3.83Å; F26-F160 AromaticContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CZ 4.2Å; F26-F160 HydrophobicContact CZ-CB 3.65Å; F26-F160 HydrophobicContact CZ-CD1 4.34Å; F26-F160 HydrophobicContact CZ-CG 4.01Å; L57-F160 HydrophobicContact CD1-CB 4.36Å; I59-F160 HydrophobicContact CD1-CD1 3.78Å; I59-F160 HydrophobicContact CD1-CE1 3.58Å; I59-F160 HydrophobicContact CG1-CD1 4.43Å; I59-F160 HydrophobicContact CG1-CE1 4.17Å; I59-F160 HydrophobicContact CG2-CE1 4.18Å; L83-F160 HydrophobicContact CD1-CD1 3.82Å; L83-F160 HydrophobicContact CD1-CD2 4.16Å; L83-F160 HydrophobicContact CD1-CE1 3.4Å; L83-F160 HydrophobicContact CD1-CE2 3.81Å; L83-F160 HydrophobicContact CD1-CG 4.19Å; L83-F160 HydrophobicContact CD1-CZ 3.41Å; L83-F160 VanDerWaalsContact CD1-CZ 3.41Å; V156-F160 HydrophobicContact CG1-CE2 4.34Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.46Å; E157-F160 PolarHBondContact O-N 3.04Å; E158-F160 PolarHBondContact O-N 3.31Å; F160-A164 PolarHBondContact O-N 3.03Å
161I97.9Very high97.3Very high35 Ų3542.8 Ų42.818%0.17922%0.22CC..Hα-helixtrans-68.4-44.1-179.1-68.4-178.2000111.4I48 E157 E158 T163 A164 K165I48-I161 HydrophobicContact CG2-CG1 4.49Å; E157-I161 HydrophobicContact CG-CD1 3.61Å; E157-I161 HydrophobicContact CG-CG1 4.32Å; E157-I161 WeakPolarHBondContact O-CG1 3.46Å; E157-I161 PolarHBondContact O-N 3.26Å; E158-I161 PolarHBondContact O-N 3.22Å; I161-T163 VanDerWaalsContact C-N 3.32Å; I161-T163 PolarHBondContact O-N 2.88Å; I161-A164 WeakPolarHBondContact O-CA 2.84Å; I161-A164 WeakPolarHBondContact O-CB 3.49Å; I161-A164 PolarHBondContact O-N 2.83Å; I161-K165 HydrophobicContact CG2-CD 4.2Å; I161-K165 HydrophobicContact CG2-CG 4.35Å; I161-K165 WeakPolarHBondContact O-CG 3.16Å; I161-K165 PolarHBondContact O-N 3.29Å
162N98Very high97.1Very high56 Ų5642.2 Ų42.230%0.29922%0.219SC..Hα-helixtrans-65.8-37.9-179.4-69.9-6.1000111.5M115 E158 A164 K165 E166M115-N162 HydrophobicContact CE-CB 3.98Å; E158-N162 WeakPolarHBondContact O-CB 3.09Å; E158-N162 PolarHBondContact O-N 3.11Å; N162-A164 PolarHBondContact O-N 3.46Å; N162-K165 PolarHBondContact O-N 3.42Å; N162-E166 PolarHBondContact O-N 3.14Å; N162-E166 VanDerWaalsContact O-N 3.08Å
163T98.3Very high96.9Very high0 Ų044.8 Ų44.80%023%0.225CC..Hα-helixtrans-58.2-38.7170.5-53.80000111Y9 L83 V113 M115 A159 I161 I167Y9-T163 HydrophobicContact CE1-CG2 4.35Å; Y9-T163 HydrophobicContact CE2-CG2 3.74Å; Y9-T163 WeakPolarHBondContact OH-CB 3.31Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.4Å; L83-T163 HydrophobicContact CD2-CG2 4.36Å; V113-T163 HydrophobicContact CG1-CG2 3.99Å; M115-T163 WeakPolarHBondContact CB-OG1 3.23Å; A159-T163 WeakPolarHBondContact O-CB 3.19Å; A159-T163 PolarHBondContact O-N 3.16Å; A159-T163 PolarHBondContact O-OG1 3.28Å; I161-T163 VanDerWaalsContact C-N 3.32Å; I161-T163 PolarHBondContact O-N 2.88Å; T163-I167 HydrophobicContact CG2-CD1 4.27Å; T163-I167 WeakPolarHBondContact O-CG1 3.25Å; T163-I167 PolarHBondContact O-N 3.11Å
164A98Very high96.5Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-75-34.8-177.600000112F7 Y9 I48 I50 L57 F160 I161 N162 I167 Y168F7-A164 HydrophobicContact CD2-CB 4.29Å; F7-A164 HydrophobicContact CE2-CB 4.41Å; Y9-A164 WeakPolarHBondContact OH-CA 3.27Å; Y9-A164 WeakPolarHBondContact OH-CB 3.22Å; Y9-A164 PolarHBondContact OH-N 2.94Å; I48-A164 HydrophobicContact CD1-CB 3.48Å; I48-A164 VanDerWaalsContact CD1-CB 3.48Å; I50-A164 HydrophobicContact CD1-CB 3.42Å; I50-A164 VanDerWaalsContact CD1-CB 3.42Å; L57-A164 HydrophobicContact CD2-CB 4.18Å; F160-A164 PolarHBondContact O-N 3.03Å; I161-A164 WeakPolarHBondContact O-CA 2.84Å; I161-A164 WeakPolarHBondContact O-CB 3.49Å; I161-A164 PolarHBondContact O-N 2.83Å; N162-A164 PolarHBondContact O-N 3.46Å; A164-I167 PolarHBondContact O-N 3Å; A164-Y168 VanDerWaalsContact O-CB 3.26Å; A164-Y168 WeakPolarHBondContact O-CB 3.45Å; A164-Y168 PolarHBondContact O-N 3.01Å
165K97.7Very high96.1Very high88 Ų8846 Ų4638%0.38324%0.238SC..Hα-helixtrans-62.2-47.9173.9-73.4176.8175.6177.30110.9I50 I161 N162 I167 Y168 E169I50-K165 HydrophobicContact CD1-CB 4.47Å; I50-K165 HydrophobicContact CD1-CG 3.76Å; I50-K165 HydrophobicContact CG1-CG 4.13Å; I50-K165 HydrophobicContact CG2-CG 4.17Å; I161-K165 HydrophobicContact CG2-CD 4.2Å; I161-K165 HydrophobicContact CG2-CG 4.35Å; I161-K165 WeakPolarHBondContact O-CG 3.16Å; I161-K165 PolarHBondContact O-N 3.29Å; N162-K165 PolarHBondContact O-N 3.42Å; K165-I167 PolarHBondContact O-N 3.45Å; K165-Y168 CarbonylContact O-C 3.56Å; K165-Y168 WeakPolarHBondContact O-CA 3.32Å; K165-Y168 WeakPolarHBondContact O-CB 3.37Å; K165-Y168 PolarHBondContact O-N 3.02Å; K165-Y168 VanDerWaalsContact O-N 3.07Å; K165-E169 WeakPolarHBondContact O-CG 3.22Å; K165-E169 PolarHBondContact O-N 2.91Å
166E97.1Very high95.4Very high64 Ų6443.5 Ų43.530%0.29922%0.224SC..Hα-helixtrans-59.2-44.4176.7-178.372.8-159.700112.2V113 I144 N162 Y168 E169 K170V113-E166 HydrophobicContact CB-CG 4.25Å; V113-E166 HydrophobicContact CG1-CB 3.9Å; V113-E166 HydrophobicContact CG1-CG 3.6Å; V113-E166 HydrophobicContact CG2-CB 4.24Å; V113-E166 HydrophobicContact CG2-CG 3.57Å; I144-E166 HydrophobicContact CD1-CB 3.87Å; I144-E166 HydrophobicContact CD1-CG 3.94Å; N162-E166 PolarHBondContact O-N 3.14Å; N162-E166 VanDerWaalsContact O-N 3.08Å; E166-Y168 VanDerWaalsContact C-N 3.3Å; E166-Y168 PolarHBondContact O-N 3.37Å; E166-E169 PolarHBondContact O-N 2.67Å; E166-K170 WeakPolarHBondContact O-CG 3.31Å; E166-K170 PolarHBondContact O-N 2.77Å; E166-K170 WeakPolarHBondContact OE1-CE 3.2Å
167I96.5Very high94.7Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-61.6-43175.4-66.4164.8000110.4F7 Y9 A80 V113 T163 A164 K165 K170 I171 F176 I185F7-I167 HydrophobicContact CD1-CG2 4.08Å; F7-I167 HydrophobicContact CD2-CB 4.2Å; F7-I167 HydrophobicContact CD2-CD1 4.29Å; F7-I167 HydrophobicContact CD2-CG2 3.91Å; F7-I167 HydrophobicContact CE1-CG2 3.88Å; F7-I167 HydrophobicContact CE2-CB 3.95Å; F7-I167 HydrophobicContact CE2-CG2 3.68Å; F7-I167 HydrophobicContact CG-CG2 4.12Å; F7-I167 HydrophobicContact CZ-CB 4.37Å; F7-I167 HydrophobicContact CZ-CG2 3.68Å; Y9-I167 HydrophobicContact CD1-CD1 4.4Å; Y9-I167 HydrophobicContact CE1-CD1 3.44Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.44Å; A80-I167 HydrophobicContact CB-CD1 4.05Å; A80-I167 HydrophobicContact CB-CG2 4.3Å; A80-I167 WeakPolarHBondContact O-CD1 3.35Å; V113-I167 HydrophobicContact CB-CD1 4.35Å; V113-I167 HydrophobicContact CB-CG1 3.71Å; V113-I167 HydrophobicContact CG1-CG1 4.47Å; V113-I167 HydrophobicContact CG2-CB 4.47Å; V113-I167 HydrophobicContact CG2-CG1 3.52Å; T163-I167 HydrophobicContact CG2-CD1 4.27Å; T163-I167 WeakPolarHBondContact O-CG1 3.25Å; T163-I167 PolarHBondContact O-N 3.11Å; A164-I167 PolarHBondContact O-N 3Å; K165-I167 PolarHBondContact O-N 3.45Å; I167-K170 PolarHBondContact O-N 3.36Å; I167-I171 HydrophobicContact CG2-CD1 4.23Å; I167-I171 WeakPolarHBondContact O-CG1 3.4Å; I167-I171 PolarHBondContact O-N 2.76Å; I167-F176 HydrophobicContact CG2-CE2 4.13Å; I167-I185 HydrophobicContact CG2-CD1 4.07Å; I167-I185 HydrophobicContact CG2-CG1 4.29Å
168Y96Very high94Very high12 Ų1247.7 Ų47.75%0.04725%0.247CC..Hα-helixtrans-65.8-40.8-179.7179.4-104.1000112.5Y5 I50 D51 K53 I55 A164 K165 E166 I171 Q172Y5-Y168 HydrophobicContact CD2-CD2 4.38Å; Y5-Y168 HydrophobicContact CD2-CE2 4.33Å; Y5-Y168 HydrophobicContact CE2-CD2 4.28Å; Y5-Y168 AromaticContact CE2-CE2 3.88Å; Y5-Y168 HydrophobicContact CE2-CE2 3.88Å; I50-Y168 HydrophobicContact CG2-CD1 3.72Å; I50-Y168 HydrophobicContact CG2-CE1 4.19Å; I50-Y168 HydrophobicContact CG2-CG 4.11Å; D51-Y168 HydrophobicContact CB-CE1 4.26Å; D51-Y168 WeakPolarHBondContact OD2-CE1 3.43Å; K53-Y168 HydrophobicContact CD-CE2 3.87Å; K53-Y168 WeakPolarHBondContact CD-OH 3.26Å; K53-Y168 VanDerWaalsContact CE-OH 3.31Å; K53-Y168 WeakPolarHBondContact CE-OH 3.41Å; K53-Y168 PolarHBondContact NZ-OH 3.06Å; I55-Y168 HydrophobicContact CD1-CD2 4.12Å; I55-Y168 HydrophobicContact CD1-CG 4.49Å; A164-Y168 VanDerWaalsContact O-CB 3.26Å; A164-Y168 WeakPolarHBondContact O-CB 3.45Å; A164-Y168 PolarHBondContact O-N 3.01Å; K165-Y168 CarbonylContact O-C 3.56Å; K165-Y168 WeakPolarHBondContact O-CA 3.32Å; K165-Y168 WeakPolarHBondContact O-CB 3.37Å; K165-Y168 PolarHBondContact O-N 3.02Å; K165-Y168 VanDerWaalsContact O-N 3.07Å; E166-Y168 VanDerWaalsContact C-N 3.3Å; E166-Y168 PolarHBondContact O-N 3.37Å; Y168-I171 WeakPolarHBondContact O-CB 3.26Å; Y168-I171 PolarHBondContact O-N 2.8Å; Y168-Q172 HydrophobicContact CD1-CG 4.45Å; Y168-Q172 HydrophobicContact CE1-CG 4.07Å; Y168-Q172 WeakPolarHBondContact O-CG 3.33Å; Y168-Q172 PolarHBondContact O-N 2.83Å
169E95.5Very high93.3Very high99 Ų9949.8 Ų49.846%0.46326%0.261SS..Hα-helixtrans-60.1-48.9173.2-74.5171.5-167.300110.7K165 E166 I171 Q172 E173K165-E169 WeakPolarHBondContact O-CG 3.22Å; K165-E169 PolarHBondContact O-N 2.91Å; E166-E169 PolarHBondContact O-N 2.67Å; E169-I171 PolarHBondContact O-N 3.43Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.37Å; E169-Q172 PolarHBondContact O-N 3.28Å; E169-E173 WeakPolarHBondContact O-CG 3.22Å; E169-E173 PolarHBondContact O-N 2.98Å
170K94.6Very high92.6Very high44 Ų4453.2 Ų53.219%0.19128%0.279CS..Hα-helixtrans-58.5-30.8174.1-74.4-175.9-179.4-173.30113.8N111 V113 E166 I167 G174 V175 F176N111-K170 PolarHBondContact O-NZ 3Å; V113-K170 HydrophobicContact CG2-CD 3.88Å; E166-K170 WeakPolarHBondContact O-CG 3.31Å; E166-K170 PolarHBondContact O-N 2.77Å; E166-K170 WeakPolarHBondContact OE1-CE 3.2Å; I167-K170 PolarHBondContact O-N 3.36Å; K170-G174 PolarHBondContact O-N 3.15Å; K170-V175 HydrophobicContact CB-CB 4.13Å; K170-V175 WeakPolarHBondContact O-CB 3.22Å; K170-V175 PolarHBondContact O-N 2.91Å; K170-F176 HydrophobicContact CB-CD2 3.59Å; K170-F176 HydrophobicContact CB-CE2 3.67Å; K170-F176 HydrophobicContact CD-CE2 3.9Å; K170-F176 HydrophobicContact CG-CE2 4.44Å
171I92.5Very high91.7Very high16 Ų1659.4 Ų59.48%0.08231%0.308CS..Hα-helixtrans-68.9-43.5171.4-67.8164.7000110.6Y5 F7 I167 Y168 E169 E173 G174 F176 I178 I185Y5-I171 HydrophobicContact CD1-CD1 4.46Å; Y5-I171 HydrophobicContact CE1-CG2 4.39Å; F7-I171 HydrophobicContact CE1-CD1 3.5Å; F7-I171 HydrophobicContact CZ-CD1 3.63Å; I167-I171 HydrophobicContact CG2-CD1 4.23Å; I167-I171 WeakPolarHBondContact O-CG1 3.4Å; I167-I171 PolarHBondContact O-N 2.76Å; Y168-I171 WeakPolarHBondContact O-CB 3.26Å; Y168-I171 PolarHBondContact O-N 2.8Å; E169-I171 PolarHBondContact O-N 3.43Å; I171-E173 VanDerWaalsContact C-N 3.26Å; I171-E173 PolarHBondContact O-N 2.78Å; I171-G174 PolarHBondContact O-N 3.23Å; I171-G174 VanDerWaalsContact O-N 3.12Å; I171-F176 HydrophobicContact CG1-CB 4.01Å; I171-F176 HydrophobicContact CG1-CD2 4.06Å; I171-F176 HydrophobicContact CG1-CG 4.43Å; I171-I178 HydrophobicContact CG1-CG2 4.31Å; I171-I178 HydrophobicContact CG2-CG2 3.74Å; I171-I185 HydrophobicContact CD1-CD1 3.75Å; I171-I185 HydrophobicContact CD1-CG1 4.26Å; I171-I185 HydrophobicContact CD1-CG2 3.94Å; I171-I185 HydrophobicContact CG1-CD1 3.83Å
172Q92.4Very high91Very high106 Ų10659.6 Ų59.650%0.49531%0.314SS..Hα-helixtrans-65-33178.7-60.3-41-77.600111.9Y168 E169 G174Y168-Q172 HydrophobicContact CD1-CG 4.45Å; Y168-Q172 HydrophobicContact CE1-CG 4.07Å; Y168-Q172 WeakPolarHBondContact O-CG 3.33Å; Y168-Q172 PolarHBondContact O-N 2.83Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.37Å; E169-Q172 PolarHBondContact O-N 3.28Å; Q172-G174 PolarHBondContact O-N 3.42Å
173E93.4Very high90.5Very high141 Ų14157.1 Ų57.166%0.65930%0.301SS*.THydrogen-bonded Turntrans-77.5-6.5175.5-66.7176.7171.800113.7E169 I171 V175E169-E173 WeakPolarHBondContact O-CG 3.22Å; E169-E173 PolarHBondContact O-N 2.98Å; I171-E173 VanDerWaalsContact C-N 3.26Å; I171-E173 PolarHBondContact O-N 2.78Å; E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 HydrophobicContact CB-CG2 4.09Å; E173-V175 PolarHBondContact O-N 3.13Å
174G90.7Very high90Very high59 Ų5957.5 Ų57.561%0.60831%0.305SS*.THydrogen-bonded Turntrans75.413.6-179.300000114.8K170 I171 Q172 F176K170-G174 PolarHBondContact O-N 3.15Å; I171-G174 PolarHBondContact O-N 3.23Å; I171-G174 VanDerWaalsContact O-N 3.12Å; Q172-G174 PolarHBondContact O-N 3.42Å; G174-F176 VanDerWaalsContact C-N 3.32Å
175V89.7Confident89.6Confident59 Ų5957.6 Ų57.636%0.35831%0.306SS..  trans-67.8-35.2176.4176.80000111.1N111 K170 E173N111-V175 HydrophobicContact CB-CG1 4.24Å; N111-V175 PolarHBondContact ND2-O 3.43Å; K170-V175 HydrophobicContact CB-CB 4.13Å; K170-V175 WeakPolarHBondContact O-CB 3.22Å; K170-V175 PolarHBondContact O-N 2.91Å; E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 HydrophobicContact CB-CG2 4.09Å; E173-V175 PolarHBondContact O-N 3.13Å
176F84.5Confident89.3Confident7 Ų758 Ų583%0.03131%0.308CS..SBendtrans-95.8120.6173.4-75.6-69.1000111.4N111 I167 K170 I171 G174 I178 N183 I185N111-F176 HydrophobicContact CB-CD1 4.08Å; N111-F176 HydrophobicContact CB-CE1 3.53Å; N111-F176 HydrophobicContact CB-CZ 3.82Å; N111-F176 WeakPolarHBondContact O-CZ 3.26Å; I167-F176 HydrophobicContact CG2-CE2 4.13Å; K170-F176 HydrophobicContact CB-CD2 3.59Å; K170-F176 HydrophobicContact CB-CE2 3.67Å; K170-F176 HydrophobicContact CD-CE2 3.9Å; K170-F176 HydrophobicContact CG-CE2 4.44Å; I171-F176 HydrophobicContact CG1-CB 4.01Å; I171-F176 HydrophobicContact CG1-CD2 4.06Å; I171-F176 HydrophobicContact CG1-CG 4.43Å; G174-F176 VanDerWaalsContact C-N 3.32Å; F176-I178 PolarHBondContact O-N 3.3Å; F176-I178 VanDerWaalsContact O-N 3.14Å; F176-N183 HydrophobicContact CD1-CB 3.84Å; F176-N183 HydrophobicContact CE1-CB 4.31Å; F176-I185 HydrophobicContact CB-CD1 3.69Å; F176-I185 HydrophobicContact CD1-CD1 3.65Å; F176-I185 HydrophobicContact CD2-CD1 3.69Å; F176-I185 HydrophobicContact CE1-CD1 4.1Å; F176-I185 HydrophobicContact CE2-CD1 4.15Å; F176-I185 HydrophobicContact CG-CD1 3.4Å; F176-I185 VanDerWaalsContact CG-CD1 3.4Å; F176-I185 HydrophobicContact CZ-CD1 4.32Å
177D83.7Confident88.9Confident84 Ų8457.5 Ų57.545%0.44931%0.306SS..  trans-71.5104.3161.31798.6000109.3N179 N180 N183D177-N179 PolarHBondContact O-N 3.48Å; D177-N179 WeakPolarHBondContact OD1-CB 3.49Å; D177-N179 PolarHBondContact OD1-N 2.67Å; D177-N179 PolarHBondContact OD1-ND2 3.09Å; D177-N180 HydrophobicContact CB-CB 4.17Å; D177-N180 PolarHBondContact O-N 3.26Å; D177-N180 VanDerWaalsContact O-N 3.1Å; D177-N183 PolarHBondContact N-ND2 3.04Å; D177-N183 PolarHBondContact O-ND2 3.13Å
178I83Confident88.3Confident46 Ų4657.6 Ų57.624%0.23631%0.307CS..THydrogen-bonded Turntrans-67.3-11.4-178.459.2178000113.8I171 F176 I185 I187I171-I178 HydrophobicContact CG1-CG2 4.31Å; I171-I178 HydrophobicContact CG2-CG2 3.74Å; F176-I178 PolarHBondContact O-N 3.3Å; F176-I178 VanDerWaalsContact O-N 3.14Å; I178-I185 HydrophobicContact CG2-CG2 4.43Å; I178-I187 HydrophobicContact CB-CD1 4.09Å; I178-I187 HydrophobicContact CB-CG1 4.19Å; I178-I187 HydrophobicContact CD1-CD1 3.56Å; I178-I187 HydrophobicContact CD1-CG1 4.26Å; I178-I187 HydrophobicContact CG1-CD1 3.82Å; I178-I187 HydrophobicContact CG1-CG1 4.45Å
179N82.3Confident87.4Confident128 Ų12861.3 Ų61.368%0.68433%0.333SS*.THydrogen-bonded Turntrans-89.5-13.2175-54.3-66.4000112.4D177 E181D177-N179 PolarHBondContact O-N 3.48Å; D177-N179 WeakPolarHBondContact OD1-CB 3.49Å; D177-N179 PolarHBondContact OD1-N 2.67Å; D177-N179 PolarHBondContact OD1-ND2 3.09Å; N179-E181 PolarHBondContact O-N 3.15Å
180N85.2Confident86Confident72 Ų7261.7 Ų61.739%0.38534%0.335SS..  trans-91.4102.1178.4-174.6-5.4000110.5D177 A182 N183D177-N180 HydrophobicContact CB-CB 4.17Å; D177-N180 PolarHBondContact O-N 3.26Å; D177-N180 VanDerWaalsContact O-N 3.1Å; N180-A182 PolarHBondContact O-N 3.49Å; N180-A182 WeakPolarHBondContact OD1-CB 3.27Å; N180-A182 PolarHBondContact OD1-N 3.25Å; N180-N183 VanDerWaalsContact O-CB 3.31Å; N180-N183 WeakPolarHBondContact O-CB 3.39Å; N180-N183 PolarHBondContact O-N 3.11Å
181E79.5Confident84.4Confident131 Ų13161.7 Ų61.761%0.61234%0.335SS*.G310 helixtrans-58-20.9179.2-65.2-157135.500113.8N179 N183 G184 K186N179-E181 PolarHBondContact O-N 3.15Å; E181-N183 PolarHBondContact O-N 2.82Å; E181-N183 VanDerWaalsContact O-N 3.11Å; E181-G184 PolarHBondContact O-N 3.04Å; E181-G184 VanDerWaalsContact O-N 3.15Å; E181-K186 IonicContact OE1-NZ 3.78Å; E181-K186 PolarHBondContact OE1-NZ 3.03Å; E181-K186 IonicContact OE2-NZ 2.71Å
182A83.4Confident82.8Confident39 Ų3963.7 Ų63.732%0.32236%0.355SS..G310 helixtrans-64.7-11.4175.300000113.3G78 N180G78-A182 WeakPolarHBondContact CA-O 3.49Å; N180-A182 PolarHBondContact O-N 3.49Å; N180-A182 WeakPolarHBondContact OD1-CB 3.27Å; N180-A182 PolarHBondContact OD1-N 3.25Å
183N87.3Confident81Confident5 Ų561.6 Ų61.63%0.02736%0.355CS..G310 helixtrans-84.6-8.2177-65.8-14.4000113.4A80 N109 F176 D177 N180 E181 I185A80-N183 WeakPolarHBondContact CA-O 2.84Å; A80-N183 WeakPolarHBondContact CB-O 3.31Å; N109-N183 PolarHBondContact ND2-OD1 2.8Å; F176-N183 HydrophobicContact CD1-CB 3.84Å; F176-N183 HydrophobicContact CE1-CB 4.31Å; D177-N183 PolarHBondContact N-ND2 3.04Å; D177-N183 PolarHBondContact O-ND2 3.13Å; N180-N183 VanDerWaalsContact O-CB 3.31Å; N180-N183 WeakPolarHBondContact O-CB 3.39Å; N180-N183 PolarHBondContact O-N 3.11Å; E181-N183 PolarHBondContact O-N 2.82Å; E181-N183 VanDerWaalsContact O-N 3.11Å; N183-I185 HydrophobicContact CB-CD1 4.5Å; N183-I185 PolarHBondContact O-N 3.25Å
184G86.8Confident79.2Confident8 Ų858.3 Ų58.38%0.08235%0.345CS..SBendtrans73.214.3-179.600000115.5K8 G78 E181K8-G184 PolarHBondContact N-O 3.42Å; G78-G184 WeakPolarHBondContact O-CA 3.4Å; E181-G184 PolarHBondContact O-N 3.04Å; E181-G184 VanDerWaalsContact O-N 3.15Å
185I90.2Very high77.3Confident2 Ų260.8 Ų60.81%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-112.7129.1177.3-62.9156.5000107.5Y5 L6 F7 A80 I167 I171 F176 I178 N183Y5-I185 HydrophobicContact CD1-CG2 4.12Å; L6-I185 WeakPolarHBondContact O-CA 3.16Å; F7-I185 HydrophobicContact CD1-CB 4.42Å; F7-I185 HydrophobicContact CD1-CG1 3.88Å; F7-I185 HydrophobicContact CD1-CG2 4.16Å; F7-I185 HydrophobicContact CE1-CG1 4.05Å; F7-I185 HydrophobicContact CE1-CG2 3.93Å; A80-I185 HydrophobicContact CB-CD1 4.5Å; A80-I185 HydrophobicContact CB-CG1 3.87Å; I167-I185 HydrophobicContact CG2-CD1 4.07Å; I167-I185 HydrophobicContact CG2-CG1 4.29Å; I171-I185 HydrophobicContact CD1-CD1 3.75Å; I171-I185 HydrophobicContact CD1-CG1 4.26Å; I171-I185 HydrophobicContact CD1-CG2 3.94Å; I171-I185 HydrophobicContact CG1-CD1 3.83Å; F176-I185 HydrophobicContact CB-CD1 3.69Å; F176-I185 HydrophobicContact CD1-CD1 3.65Å; F176-I185 HydrophobicContact CD2-CD1 3.69Å; F176-I185 HydrophobicContact CE1-CD1 4.1Å; F176-I185 HydrophobicContact CE2-CD1 4.15Å; F176-I185 HydrophobicContact CG-CD1 3.4Å; F176-I185 VanDerWaalsContact CG-CD1 3.4Å; F176-I185 HydrophobicContact CZ-CD1 4.32Å; I178-I185 HydrophobicContact CG2-CG2 4.43Å; N183-I185 HydrophobicContact CB-CD1 4.5Å; N183-I185 PolarHBondContact O-N 3.25Å
186K90.9Very high75.5Confident97 Ų9761.2 Ų61.242%0.42235%0.354SS..EExtended strand (participates in β ladder)trans-120134.6169.9-59.5-167.9-179.1-131.60110.4Y5 L6 E181 G188Y5-K186 CarbonylContact C-O 3.52Å; Y5-K186 WeakPolarHBondContact CA-O 3.44Å; L6-K186 HydrophobicContact CB-CB 4.26Å; L6-K186 PolarHBondContact N-O 3.28Å; L6-K186 PolarHBondContact O-N 2.9Å; E181-K186 IonicContact OE1-NZ 3.78Å; E181-K186 PolarHBondContact OE1-NZ 3.03Å; E181-K186 IonicContact OE2-NZ 2.71Å; K186-G188 PolarHBondContact O-N 2.76Å
187I89.1Confident73.8Confident52 Ų5265.9 Ų65.927%0.26738%0.383SS..EExtended strand (participates in β ladder)trans-73.8125.6173.2-55.8175.4000108I178 H191I178-I187 HydrophobicContact CB-CD1 4.09Å; I178-I187 HydrophobicContact CB-CG1 4.19Å; I178-I187 HydrophobicContact CD1-CD1 3.56Å; I178-I187 HydrophobicContact CD1-CG1 4.26Å; I178-I187 HydrophobicContact CG1-CD1 3.82Å; I178-I187 HydrophobicContact CG1-CG1 4.45Å; I187-H191 HydrophobicContact CG2-CB 3.3Å
188G84.5Confident72.2Confident2 Ų270.2 Ų70.22%0.02140%0.4CS..  trans-78.9168.3177.300000112.9Y3 A4 K186 Q190 H191Y3-G188 VanDerWaalsContact CE2-CA 3.42Å; Y3-G188 CarbonylContact O-C 3.54Å; Y3-G188 VanDerWaalsContact O-CA 3.26Å; Y3-G188 WeakPolarHBondContact O-CA 3.49Å; A4-G188 PolarHBondContact O-N 3.03Å; K186-G188 PolarHBondContact O-N 2.76Å; G188-Q190 PolarHBondContact O-N 2.76Å; G188-H191 PolarHBondContact O-N 3.4Å; G188-H191 VanDerWaalsContact O-N 3.12Å
189P77.1Confident70.7Confident91 Ų9172.6 Ų72.659%0.59143%0.426SS*.Hα-helixtrans-58.9-24.3-172.9-23.332.7000114.7
190Q65.4Low69Low106 Ų10669.5 Ų69.550%0.49543%0.425SS..Hα-helixtrans-68.3-35179.3-87.4173.2-14.300113.4A2 G188A2-Q190 VanDerWaalsContact CB-CD 3.48Å; A2-Q190 HydrophobicContact CB-CG 3.76Å; A2-Q190 VanDerWaalsContact CB-NE2 3.32Å; G188-Q190 PolarHBondContact O-N 2.76Å
191H60.5Low67Low44 Ų4473.4 Ų73.420%0.20445%0.446CS..Hα-helixtrans-86.2-26.4-178.2-108.6-52.5000113Y5 I187 G188 A193 T194 N195Y5-H191 AromaticContact CE2-CD2 3.77Å; Y5-H191 AromaticContact CE2-NE2 3.69Å; Y5-H191 AromaticContact CZ-CD2 3.58Å; Y5-H191 AromaticContact CZ-NE2 3.52Å; Y5-H191 PolarHBondContact OH-NE2 2.79Å; I187-H191 HydrophobicContact CG2-CB 3.3Å; G188-H191 PolarHBondContact O-N 3.4Å; G188-H191 VanDerWaalsContact O-N 3.12Å; H191-A193 PolarHBondContact O-N 3.31Å; H191-T194 PolarHBondContact O-N 3.16Å; H191-T194 PolarHBondContact O-OG1 2.95Å; H191-N195 PolarHBondContact O-N 3Å
192A58.5Low65.4Low59 Ų5976.9 Ų76.949%0.48846%0.462SS..Hα-helixtrans-63-34.3175.700000111.9A196A192-A196 WeakPolarHBondContact O-CB 3.33Å; A192-A196 PolarHBondContact O-N 2.95Å
193A54.8Low63.2Low61 Ų6179.2 Ų79.250%0.50449%0.49SS..Hα-helixtrans-69.8-31.7179.100000113.5H191 T197H191-A193 PolarHBondContact O-N 3.31Å; A193-T197 PolarHBondContact O-N 3.36Å; A193-T197 PolarHBondContact O-OG1 3.27Å
194T55.9Low60.9Low72 Ų7282.6 Ų82.644%0.44253%0.526SS..Hα-helixtrans-76.8-30178.436.20000113.2H191 T197H191-T194 PolarHBondContact O-N 3.16Å; H191-T194 PolarHBondContact O-OG1 2.95Å; T194-T197 PolarHBondContact O-OG1 3.28Å; T194-T197 VanDerWaalsContact O-OG1 3.12Å
195N51Low59Low112 Ų11291.9 Ų91.960%0.59957%0.567SS**Hα-helixtrans-80.2-30.8174.2-77.4-4.9000112.8H191 T197H191-N195 PolarHBondContact O-N 3Å; N195-T197 VanDerWaalsContact C-N 3.3Å; N195-T197 PolarHBondContact O-N 3.01Å
196A52.3Low57Low68 Ų68101 Ų10156%0.56261%0.61SS**Hα-helixtrans-69.2-25.9177.200000113.3A192A192-A196 WeakPolarHBondContact O-CB 3.33Å; A192-A196 PolarHBondContact O-N 2.95Å
197T47.9Very low54.8Low105 Ų105101.5 Ų101.564%0.64463%0.632SS**THydrogen-bonded Turntrans-79.2-18-177.831.90000114A193 T194 N195A193-T197 PolarHBondContact O-N 3.36Å; A193-T197 PolarHBondContact O-OG1 3.27Å; T194-T197 PolarHBondContact O-OG1 3.28Å; T194-T197 VanDerWaalsContact O-OG1 3.12Å; N195-T197 VanDerWaalsContact C-N 3.3Å; N195-T197 PolarHBondContact O-N 3.01Å
198H50.6Low52.8Low175 Ų175102.7 Ų102.781%0.8166%0.657SS**THydrogen-bonded Turntrans-92.9-16174.4-85.1-59.3000114.8
199A52.5Low51.2Low95 Ų95106.4 Ų106.479%0.78570%0.696SS**SBendtrans-91.6-3.3179.600000114.5
200G44.7Very low49.9Very low64 Ų64105.8 Ų105.866%0.6671%0.706SS**SBendtrans-107.97.2-169.200000117.5
201N44.5Very low49.1Very low154 Ų154107 Ų10782%0.82472%0.724SS**  trans-115.728.5-169.6-146.226.5000116
202Q45.2Very low48.5Very low203 Ų203114.9 Ų114.995%0.94978%0.782SS**SBendtrans-129.199.4167-72.9-17423.700110
203G37.5Very low48Very low88 Ų88117.7 Ų117.791%0.90780%0.797SS**  trans14883.9170.200000113.4
204G38.4Very low47.6Very low76 Ų76120.7 Ų120.778%0.78481%0.813SS**  trans172.150.8174.300000114.9
205Q47.9Very low47.2Very low203 Ų203123.4 Ų123.495%0.94983%0.833SS**  trans-85.3119.6164.1-120169.85.700109
206Q47.7Very low47Very low194 Ų194124.1 Ų124.191%0.90785%0.847SS**  trans-59.2131.4-173-73.6161.3-32.700113.2
207A44.7Very low46.6Very low107 Ų107127.6 Ų127.688%0.88487%0.865SS**  trans-118.286.9152.500000107.9
208G48.1Very low46.5Very low77 Ų77129.1 Ų129.179%0.79488%0.879SS**  trans-93.6133.2153.600000106.2
209G49Very low46.2Very low81 Ų81125.8 Ų125.884%0.83588%0.884SS**  cis127.5113.848.100000104.1
210G51.1Low45.8Very low77 Ų77128.2 Ų128.279%0.79489%0.892SS**  trans-79.2-173.5-164.800000116.9
211C48.5Very low45.8Very low132 Ų132133.5 Ų133.589%0.89291%0.911SS**  trans80.395.4174.2-700000117.4
212C47.6Very low46Very low210 Ų210131.6 Ų131.6100%1.41992%0.919SS**  -159.1093-103.70000109.2

Retrieved 212 of 212 residues in 345.1 ms (Link to these results)