A0A087YQ06_POEFO Loading...

Protein Hikeshi

Acts as a specific nuclear import carrier for HSP70 proteins following heat-shock stress: acts by mediating the nucleoporin-dependent translocation of ATP-bound HSP70 proteins into the nucleus. HSP70 proteins import is required to protect cells from heat shock damages. Does not translocate ADP-bound HSP70 proteins into the nucleus.

AlphaFold DB , UniProt , Accession A0A087YQ06, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 197 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M89.6Confident94.3Very high54 Ų5454.1 Ų54.127%0.26634%0.335SS..  0-48.20-168.7171.2-179.700111.1M40 L41 V44 F46M1-M40 HydrophobicContact CE-CE 4.23Å; M1-L41 PolarHBondContact O-N 3.1Å; M1-V44 HydrophobicContact CG-CB 4.31Å; M1-V44 HydrophobicContact SD-CG1 4.49Å; M1-F46 HydrophobicContact CE-CB 4.43Å; M1-F46 HydrophobicContact CE-CD1 3.49Å; M1-F46 VanDerWaalsContact CE-CD1 3.49Å; M1-F46 HydrophobicContact CE-CD2 4.48Å; M1-F46 HydrophobicContact CE-CE1 3.8Å; M1-F46 HydrophobicContact CE-CG 3.88Å; M1-F46 HydrophobicContact CE-CZ 4.42Å
2F97.6Very high94.5Very high2 Ų253.8 Ų53.81%0.00933%0.327CS..EExtended strand (participates in β ladder)trans-112.6154.5-176.8-51.6-66.8000112.6F23 F25 F39 M40 F46 I74 V113 V115F2-F23 HydrophobicContact CD2-CB 4.21Å; F2-F23 AromaticContact CD2-CD2 3.92Å; F2-F23 HydrophobicContact CD2-CD2 3.92Å; F2-F23 HydrophobicContact CD2-CE2 4.46Å; F2-F23 AromaticContact CD2-CG 3.96Å; F2-F23 HydrophobicContact CD2-CG 3.96Å; F2-F23 AromaticContact CE2-CD2 3.49Å; F2-F23 HydrophobicContact CE2-CD2 3.49Å; F2-F23 VanDerWaalsContact CE2-CD2 3.49Å; F2-F23 AromaticContact CE2-CE2 3.76Å; F2-F23 HydrophobicContact CE2-CE2 3.76Å; F2-F23 HydrophobicContact CE2-CG 4.02Å; F2-F23 HydrophobicContact CE2-CZ 4.47Å; F2-F25 HydrophobicContact CB-CE2 4.11Å; F2-F25 HydrophobicContact CB-CZ 3.95Å; F2-F39 CarbonylContact C-O 3.6Å; F2-F39 VanDerWaalsContact CA-O 3.3Å; F2-F39 WeakPolarHBondContact CA-O 3.29Å; F2-M40 HydrophobicContact CD1-CG 4.26Å; F2-M40 HydrophobicContact CE1-CG 4.18Å; F2-F46 AromaticContact CE1-CE1 3.84Å; F2-F46 HydrophobicContact CE1-CE1 3.84Å; F2-F46 HydrophobicContact CE1-CE2 4.08Å; F2-F46 AromaticContact CE1-CZ 3.36Å; F2-F46 HydrophobicContact CE1-CZ 3.36Å; F2-F46 AromaticContact CZ-CE1 3.56Å; F2-F46 HydrophobicContact CZ-CE1 3.56Å; F2-F46 AromaticContact CZ-CZ 3.61Å; F2-F46 HydrophobicContact CZ-CZ 3.61Å; F2-I74 HydrophobicContact CD1-CD1 3.77Å; F2-I74 HydrophobicContact CE1-CD1 3.82Å; F2-V113 HydrophobicContact CD1-CG1 4.36Å; F2-V113 HydrophobicContact CD2-CB 4.28Å; F2-V113 HydrophobicContact CD2-CG1 4.18Å; F2-V113 HydrophobicContact CE1-CG1 4.1Å; F2-V113 HydrophobicContact CE2-CB 4.36Å; F2-V113 HydrophobicContact CE2-CG1 3.9Å; F2-V113 HydrophobicContact CG-CG1 4.4Å; F2-V113 HydrophobicContact CZ-CG1 3.86Å; F2-V115 HydrophobicContact CZ-CG2 4.43Å
3G97.3Very high94.6Very high0 Ų055.9 Ų55.90%034%0.34CS..EExtended strand (participates in β ladder)trans-120.3148.5164.900000110.2Q12 F39G3-Q12 WeakPolarHBondContact CA-O 3.38Å; G3-F39 PolarHBondContact N-O 3.39Å; G3-F39 WeakPolarHBondContact O-CD1 3.16Å; G3-F39 PolarHBondContact O-N 2.87Å
4C97.1Very high94.4Very high1 Ų160.6 Ų60.61%0.00736%0.363CS..EExtended strand (participates in β ladder)trans-126.5130.9175.9-176.60000108.8Q12 F25 V37C4-Q12 HydrophobicContact CB-CB 4.49Å; C4-Q12 PolarHBondContact N-O 2.77Å; C4-Q12 PolarHBondContact O-N 3.15Å; C4-F25 HydrophobicContact CB-CB 4.13Å; C4-F25 HydrophobicContact CB-CD1 3.59Å; C4-F25 HydrophobicContact CB-CD2 3.73Å; C4-F25 HydrophobicContact CB-CE1 3.78Å; C4-F25 HydrophobicContact CB-CE2 3.93Å; C4-F25 HydrophobicContact CB-CG 3.54Å; C4-F25 HydrophobicContact CB-CZ 3.93Å; C4-V37 CarbonylContact C-O 3.56Å; C4-V37 WeakPolarHBondContact CA-O 3.4Å
5L96.4Very high94.3Very high58 Ų5858.5 Ų58.530%0.30435%0.354SS..EExtended strand (participates in β ladder)trans-129.9119.1178.9174.469.9000109.6R9 V11 V36 V37 F39L5-R9 WeakPolarHBondContact CD1-O 3.29Å; L5-V11 HydrophobicContact CD1-CB 4.24Å; L5-V36 CarbonylContact O-C 3.29Å; L5-V37 HydrophobicContact CB-CB 4.2Å; L5-V37 PolarHBondContact N-O 3.46Å; L5-V37 PolarHBondContact O-N 3.43Å; L5-F39 HydrophobicContact CB-CE1 4.19Å
6V94.1Very high94.2Very high4 Ų459.8 Ų59.82%0.02436%0.362CS..EExtended strand (participates in β ladder)trans-84.3132.1167.21690000108.7G8 R9 L27 V33 V36V6-G8 PolarHBondContact O-N 3.33Å; V6-R9 HydrophobicContact CB-CB 4.1Å; V6-R9 HydrophobicContact CB-CG 4.14Å; V6-R9 HydrophobicContact CG1-CB 4.32Å; V6-R9 HydrophobicContact CG1-CG 3.84Å; V6-R9 PolarHBondContact O-N 3.23Å; V6-L27 HydrophobicContact CG2-CD1 3.98Å; V6-L27 HydrophobicContact CG2-CD2 3.63Å; V6-L27 HydrophobicContact CG2-CG 4.39Å; V6-V33 HydrophobicContact CB-CG1 4.45Å; V6-V33 HydrophobicContact CG1-CB 4.25Å; V6-V33 HydrophobicContact CG1-CG1 3.53Å; V6-V33 HydrophobicContact CG1-CG2 3.7Å; V6-V33 HydrophobicContact CG2-CG1 4.24Å; V6-V36 HydrophobicContact CG2-CG2 4.25Å
7A90Very high94.1Very high65 Ų6563.1 Ų63.154%0.53737%0.372SS..THydrogen-bonded Turntrans-55.7123.2176.400000110.9H35A7-H35 HydrophobicContact CB-CB 4.26Å; A7-H35 PolarHBondContact N-O 2.87Å
8G89.7Confident93.9Very high89 Ų8963.9 Ų63.992%0.91838%0.378SS*.THydrogen-bonded Turntrans875.1-177.500000115.6V6V6-G8 PolarHBondContact O-N 3.33Å
9R93.4Very high93.8Very high87 Ų8762.4 Ų62.433%0.32837%0.374SS..SBendtrans-122.8171.3176.5-57.5-173.1-172.9175.20.4111.7L5 V6 A28 D29L5-R9 WeakPolarHBondContact CD1-O 3.29Å; V6-R9 HydrophobicContact CB-CB 4.1Å; V6-R9 HydrophobicContact CB-CG 4.14Å; V6-R9 HydrophobicContact CG1-CB 4.32Å; V6-R9 HydrophobicContact CG1-CG 3.84Å; V6-R9 PolarHBondContact O-N 3.23Å; R9-A28 PolarHBondContact NH1-O 2.87Å; R9-A28 PolarHBondContact NH2-O 3.05Å; R9-D29 PolarHBondContact NH2-O 3.42Å
10L95.5Very high93.6Very high157 Ų15764.7 Ų64.782%0.82239%0.392SS*.PPolyproline II helixtrans-69.2151.8171.4-65.5175.8000110.9
11V96.7Very high93.7Very high78 Ų7864.4 Ų64.447%0.47339%0.389SS..EExtended strand (participates in β ladder)trans-65.6137.7173.563.90000110.6L5 T13 F39L5-V11 HydrophobicContact CD1-CB 4.24Å; V11-T13 HydrophobicContact CG2-CG2 4.15Å; V11-F39 HydrophobicContact CG2-CE1 4.23Å; V11-F39 HydrophobicContact CG2-CZ 3.71Å
12Q96.4Very high93.9Very high50 Ų5064 Ų6423%0.23439%0.385CS..EExtended strand (participates in β ladder)trans-103132.7170-62.8-177.410.700109.4G3 C4 F25 N26G3-Q12 WeakPolarHBondContact CA-O 3.38Å; C4-Q12 HydrophobicContact CB-CB 4.49Å; C4-Q12 PolarHBondContact N-O 2.77Å; C4-Q12 PolarHBondContact O-N 3.15Å; Q12-F25 HydrophobicContact CB-CD1 4.04Å; Q12-F25 HydrophobicContact CB-CE1 4.4Å; Q12-N26 PolarHBondContact NE2-O 3.02Å; Q12-N26 PolarHBondContact OE1-O 3.32Å
13T95.6Very high93.8Very high82 Ų8265.1 Ų65.150%0.50339%0.39SS..  trans-129.50.4177.258.90000112.4V11 A15 L41V11-T13 HydrophobicContact CG2-CG2 4.15Å; T13-A15 VanDerWaalsContact C-N 3.32Å; T13-A15 PolarHBondContact O-N 3.39Å; T13-L41 HydrophobicContact CG2-CD1 4.31Å; T13-L41 HydrophobicContact CG2-CD2 3.92Å
14D92.4Very high93.7Very high122 Ų12265.4 Ų65.465%0.65239%0.392SS*.  trans-92.451.9-178.157.3-39.7000111.2V16D14-V16 PolarHBondContact O-N 3.38Å
15A92.7Very high93.6Very high29 Ų2965.4 Ų65.424%0.2439%0.392CS..  trans-60.7132.4177.600000111.1T13 Q17 F23 F25T13-A15 VanDerWaalsContact C-N 3.32Å; T13-A15 PolarHBondContact O-N 3.39Å; A15-Q17 PolarHBondContact O-N 3.1Å; A15-F23 HydrophobicContact CB-CB 4.18Å; A15-F23 HydrophobicContact CB-CD1 4.46Å; A15-F25 HydrophobicContact CB-CD1 4.11Å; A15-F25 HydrophobicContact CB-CD2 4.44Å; A15-F25 HydrophobicContact CB-CE1 3.57Å; A15-F25 HydrophobicContact CB-CE2 3.94Å; A15-F25 HydrophobicContact CB-CZ 3.49Å; A15-F25 VanDerWaalsContact CB-CZ 3.49Å
16V92.9Very high93.3Very high79 Ų7966.2 Ų66.248%0.47940%0.397SS..EExtended strand (participates in β ladder)trans-78.9116.6171.4-178.10000108.3D14 V18 F23 V24D14-V16 PolarHBondContact O-N 3.38Å; V16-V18 HydrophobicContact CG1-CG1 4.14Å; V16-V18 PolarHBondContact O-N 2.9Å; V16-F23 CarbonylContact O-C 3.6Å; V16-F23 WeakPolarHBondContact O-CA 3.43Å; V16-V24 PolarHBondContact N-O 2.96Å; V16-V24 PolarHBondContact O-N 3.36Å
17Q92.1Very high93.1Very high115 Ų11566 Ų6654%0.53740%0.396SS..EExtended strand (participates in β ladder)trans-80.6109174.9-172172.817.800109.5A15 A19 S20 K22 F23A15-Q17 PolarHBondContact O-N 3.1Å; Q17-A19 WeakPolarHBondContact CG-O 3.42Å; Q17-A19 PolarHBondContact NE2-O 3.34Å; Q17-S20 PolarHBondContact NE2-O 2.62Å; Q17-S20 VanDerWaalsContact NE2-O 3.09Å; Q17-K22 WeakPolarHBondContact CA-O 3.13Å; Q17-F23 HydrophobicContact CB-CD1 4.05Å; Q17-F23 HydrophobicContact CB-CE1 4.05Å; Q17-F23 HydrophobicContact CG-CD1 4.09Å; Q17-F23 HydrophobicContact CG-CE1 3.76Å; Q17-F23 HydrophobicContact CG-CZ 4.28Å
18V90.4Very high93Very high79 Ų7965.3 Ų65.348%0.47939%0.389SS..EExtended strand (participates in β ladder)trans-95.4-17.2-177.1-610000112.7V16 K22 V24 F98V16-V18 HydrophobicContact CG1-CG1 4.14Å; V16-V18 PolarHBondContact O-N 2.9Å; V18-K22 HydrophobicContact CG2-CB 3.64Å; V18-K22 PolarHBondContact N-O 3.19Å; V18-V24 HydrophobicContact CG1-CB 4.32Å; V18-V24 HydrophobicContact CG1-CG2 3.9Å; V18-V24 HydrophobicContact CG2-CG2 3.85Å; V18-F98 HydrophobicContact CG2-CD1 4.23Å
19A91.5Very high92.7Very high35 Ų3566 Ų6629%0.28937%0.372SS..EExtended strand (participates in β ladder)trans-151.6171.7166.800000109.4Q17 D21 K22Q17-A19 WeakPolarHBondContact CG-O 3.42Å; Q17-A19 PolarHBondContact NE2-O 3.34Å; A19-D21 WeakPolarHBondContact CB-OD1 3.47Å; A19-D21 PolarHBondContact O-N 3.15Å; A19-K22 HydrophobicContact CB-CB 3.93Å; A19-K22 HydrophobicContact CB-CD 3.99Å; A19-K22 HydrophobicContact CB-CG 4.21Å; A19-K22 PolarHBondContact N-O 3.29Å; A19-K22 PolarHBondContact O-N 3.09Å; A19-K22 VanDerWaalsContact O-N 3.14Å
20S91.1Very high92.1Very high107 Ų10763.6 Ų63.675%0.74836%0.364SS*.THydrogen-bonded Turntrans-53.5-30.6179.147.20000113.5Q17Q17-S20 PolarHBondContact NE2-O 2.62Å; Q17-S20 VanDerWaalsContact NE2-O 3.09Å
21D94.3Very high91.4Very high59 Ų5964 Ų6432%0.31636%0.362SS..THydrogen-bonded Turntrans-115.47.4-175.259.4-15000113.2A19 V115A19-D21 WeakPolarHBondContact CB-OD1 3.47Å; A19-D21 PolarHBondContact O-N 3.15Å; D21-V115 HydrophobicContact CB-CB 4.13Å; D21-V115 WeakPolarHBondContact O-CG2 3.31Å; D21-V115 PolarHBondContact O-N 3.21Å
22K95.3Very high90.8Very high45 Ų4566.5 Ų66.520%0.19637%0.373CS..EExtended strand (participates in β ladder)trans-133.1128.6-172.2-66.2168.1-159.8174.80112.3Q17 V18 A19 P97 F98 V113Q17-K22 WeakPolarHBondContact CA-O 3.13Å; V18-K22 HydrophobicContact CG2-CB 3.64Å; V18-K22 PolarHBondContact N-O 3.19Å; A19-K22 HydrophobicContact CB-CB 3.93Å; A19-K22 HydrophobicContact CB-CD 3.99Å; A19-K22 HydrophobicContact CB-CG 4.21Å; A19-K22 PolarHBondContact N-O 3.29Å; A19-K22 PolarHBondContact O-N 3.09Å; A19-K22 VanDerWaalsContact O-N 3.14Å; K22-P97 WeakPolarHBondContact CE-O 3.41Å; K22-P97 PolarHBondContact NZ-O 2.83Å; K22-F98 HydrophobicContact CB-CD1 4.25Å; K22-F98 HydrophobicContact CB-CE1 3.84Å; K22-F98 HydrophobicContact CD-CD1 4.4Å; K22-F98 HydrophobicContact CG-CD1 4.47Å; K22-F98 HydrophobicContact CG-CE1 4.1Å; K22-V113 WeakPolarHBondContact CA-O 3.44Å
23F95.3Very high90.1Very high26 Ų2664.5 Ų64.511%0.11436%0.364CS..EExtended strand (participates in β ladder)trans-127.7140.6-175.8-57.1-93000109.9F2 A15 V16 Q17 G112 V113 V115F2-F23 HydrophobicContact CD2-CB 4.21Å; F2-F23 AromaticContact CD2-CD2 3.92Å; F2-F23 HydrophobicContact CD2-CD2 3.92Å; F2-F23 HydrophobicContact CD2-CE2 4.46Å; F2-F23 AromaticContact CD2-CG 3.96Å; F2-F23 HydrophobicContact CD2-CG 3.96Å; F2-F23 AromaticContact CE2-CD2 3.49Å; F2-F23 HydrophobicContact CE2-CD2 3.49Å; F2-F23 VanDerWaalsContact CE2-CD2 3.49Å; F2-F23 AromaticContact CE2-CE2 3.76Å; F2-F23 HydrophobicContact CE2-CE2 3.76Å; F2-F23 HydrophobicContact CE2-CG 4.02Å; F2-F23 HydrophobicContact CE2-CZ 4.47Å; A15-F23 HydrophobicContact CB-CB 4.18Å; A15-F23 HydrophobicContact CB-CD1 4.46Å; V16-F23 CarbonylContact O-C 3.6Å; V16-F23 WeakPolarHBondContact O-CA 3.43Å; Q17-F23 HydrophobicContact CB-CD1 4.05Å; Q17-F23 HydrophobicContact CB-CE1 4.05Å; Q17-F23 HydrophobicContact CG-CD1 4.09Å; Q17-F23 HydrophobicContact CG-CE1 3.76Å; Q17-F23 HydrophobicContact CG-CZ 4.28Å; F23-G112 CarbonylContact O-C 3.57Å; F23-G112 VanDerWaalsContact O-CA 3.31Å; F23-G112 WeakPolarHBondContact O-CA 3.25Å; F23-V113 PolarHBondContact N-O 2.88Å; F23-V113 PolarHBondContact O-N 3.11Å; F23-V115 HydrophobicContact CE2-CG2 4.12Å
24V94.7Very high89.7Confident6 Ų664.8 Ų64.84%0.03636%0.362CS..EExtended strand (participates in β ladder)trans-131.5135.5-177179.10000110.6V16 V18 F98 Q110 V111V16-V24 PolarHBondContact N-O 2.96Å; V16-V24 PolarHBondContact O-N 3.36Å; V18-V24 HydrophobicContact CG1-CB 4.32Å; V18-V24 HydrophobicContact CG1-CG2 3.9Å; V18-V24 HydrophobicContact CG2-CG2 3.85Å; V24-F98 HydrophobicContact CG2-CD1 4.03Å; V24-F98 HydrophobicContact CG2-CE1 4.09Å; V24-Q110 HydrophobicContact CG1-CB 3.9Å; V24-Q110 HydrophobicContact CG1-CG 4.02Å; V24-V111 CarbonylContact C-O 3.55Å; V24-V111 WeakPolarHBondContact CA-O 3.29Å
25F94.4Very high89.7Confident2 Ų262 Ų621%0.00935%0.345CS..EExtended strand (participates in β ladder)trans-110.2137.2169-61.4-89.5000109.6F2 C4 Q12 A15 Q110 V111F2-F25 HydrophobicContact CB-CE2 4.11Å; F2-F25 HydrophobicContact CB-CZ 3.95Å; C4-F25 HydrophobicContact CB-CB 4.13Å; C4-F25 HydrophobicContact CB-CD1 3.59Å; C4-F25 HydrophobicContact CB-CD2 3.73Å; C4-F25 HydrophobicContact CB-CE1 3.78Å; C4-F25 HydrophobicContact CB-CE2 3.93Å; C4-F25 HydrophobicContact CB-CG 3.54Å; C4-F25 HydrophobicContact CB-CZ 3.93Å; Q12-F25 HydrophobicContact CB-CD1 4.04Å; Q12-F25 HydrophobicContact CB-CE1 4.4Å; A15-F25 HydrophobicContact CB-CD1 4.11Å; A15-F25 HydrophobicContact CB-CD2 4.44Å; A15-F25 HydrophobicContact CB-CE1 3.57Å; A15-F25 HydrophobicContact CB-CE2 3.94Å; A15-F25 HydrophobicContact CB-CZ 3.49Å; A15-F25 VanDerWaalsContact CB-CZ 3.49Å; F25-Q110 CarbonylContact O-C 2.96Å; F25-Q110 VanDerWaalsContact O-CA 3.27Å; F25-Q110 WeakPolarHBondContact O-CA 3.35Å; F25-V111 HydrophobicContact CB-CB 4.36Å; F25-V111 PolarHBondContact N-O 3.35Å; F25-V111 PolarHBondContact O-N 2.94Å
26N91.9Very high89.8Confident75 Ų7560.6 Ų60.640%0.40133%0.334SS..EExtended strand (participates in β ladder)trans-95.2127.2176.9-67.9-42000110.3Q12 V108 Q110Q12-N26 PolarHBondContact NE2-O 3.02Å; Q12-N26 PolarHBondContact OE1-O 3.32Å; N26-V108 HydrophobicContact CB-CG1 4.05Å; N26-Q110 WeakPolarHBondContact OD1-CG 3.41Å; N26-Q110 PolarHBondContact OD1-NE2 2.86Å
27L89.6Confident89.9Confident0 Ų058.4 Ų58.40%032%0.32CS..EExtended strand (participates in β ladder)trans-112.698.6178.6-58.2-169.8000109.5V6 V36 F56 A109 V111V6-L27 HydrophobicContact CG2-CD1 3.98Å; V6-L27 HydrophobicContact CG2-CD2 3.63Å; V6-L27 HydrophobicContact CG2-CG 4.39Å; L27-V36 HydrophobicContact CD1-CG2 3.89Å; L27-F56 HydrophobicContact CD1-CE2 4.2Å; L27-A109 HydrophobicContact CB-CB 4.39Å; L27-A109 PolarHBondContact N-O 3.25Å; L27-A109 PolarHBondContact O-N 3.36Å; L27-V111 HydrophobicContact CD1-CG2 3.52Å; L27-V111 HydrophobicContact CG-CG2 4.13Å
28A87Confident90.2Very high49 Ų4952.9 Ų52.941%0.40530%0.295SS..EExtended strand (participates in β ladder)trans-65.1156168.800000111R9 F30R9-A28 PolarHBondContact NH1-O 2.87Å; R9-A28 PolarHBondContact NH2-O 3.05Å; A28-F30 PolarHBondContact O-N 2.99Å; A28-F30 VanDerWaalsContact O-N 3.16Å
29D83.4Confident90.6Very high105 Ų10551.6 Ų51.656%0.56128%0.283SS*.THydrogen-bonded Turntrans49.844174.6-52.8-40000113.2R9 E31 N32 S107R9-D29 PolarHBondContact NH2-O 3.42Å; D29-E31 PolarHBondContact O-N 2.99Å; D29-N32 PolarHBondContact O-N 2.89Å; D29-S107 PolarHBondContact N-O 3.19Å
30F81.3Confident90.9Very high36 Ų3651 Ų5116%0.15827%0.274CS..G310 helixtrans-66.6-21.4-171.976.6-88.4000113.4A28 N32 V33 F56 F58 P59 A109A28-F30 PolarHBondContact O-N 2.99Å; A28-F30 VanDerWaalsContact O-N 3.16Å; F30-N32 PolarHBondContact O-N 3.48Å; F30-N32 VanDerWaalsContact O-N 3.17Å; F30-V33 WeakPolarHBondContact O-CB 3.43Å; F30-V33 PolarHBondContact O-N 3.39Å; F30-F56 HydrophobicContact CD2-CZ 4.4Å; F30-F58 HydrophobicContact CD2-CB 4.48Å; F30-F58 HydrophobicContact CE2-CB 3.98Å; F30-F58 HydrophobicContact CZ-CB 4.36Å; F30-P59 HydrophobicContact CE1-CG 3.92Å; F30-P59 HydrophobicContact CZ-CG 3.85Å; F30-A109 HydrophobicContact CB-CB 3.36Å; F30-A109 HydrophobicContact CD1-CB 3.76Å; F30-A109 HydrophobicContact CD2-CB 3.92Å; F30-A109 HydrophobicContact CG-CB 3.4Å
31E81.1Confident91.1Very high165 Ų16549 Ų4977%0.77126%0.255SS*.G310 helixtrans-57.9-28.7177.8-61.1-177.5157.700112.8D29D29-E31 PolarHBondContact O-N 2.99Å
32N82.6Confident91.1Very high131 Ų13149.5 Ų49.570%0.70127%0.274SS*.G310 helixtrans-93.56.6178.5-65.4-58.6000113D29 F30D29-N32 PolarHBondContact O-N 2.89Å; F30-N32 PolarHBondContact O-N 3.48Å; F30-N32 VanDerWaalsContact O-N 3.17Å
33V83.6Confident91Very high8 Ų852.2 Ų52.25%0.04830%0.295CS..  trans-99.9122.9-176.8-175.10000110.7V6 F30 V36 I85V6-V33 HydrophobicContact CB-CG1 4.45Å; V6-V33 HydrophobicContact CG1-CB 4.25Å; V6-V33 HydrophobicContact CG1-CG1 3.53Å; V6-V33 HydrophobicContact CG1-CG2 3.7Å; V6-V33 HydrophobicContact CG2-CG1 4.24Å; F30-V33 WeakPolarHBondContact O-CB 3.43Å; F30-V33 PolarHBondContact O-N 3.39Å; V33-V36 HydrophobicContact CG1-CG2 4.06Å; V33-I85 HydrophobicContact CB-CD1 3.93Å; V33-I85 HydrophobicContact CG1-CD1 3.6Å; V33-I85 HydrophobicContact CG1-CG1 4.03Å
34N87.1Confident91Very high88 Ų8854.7 Ų54.747%0.47131%0.312SS..  trans-96.9-40.3176.7-71.7-64.1000113K84 I85 S86N34-K84 WeakPolarHBondContact O-CA 3.44Å; N34-I85 PolarHBondContact O-N 2.99Å; N34-S86 PolarHBondContact O-N 2.91Å; N34-S86 WeakPolarHBondContact OD1-CB 3.28Å; N34-S86 PolarHBondContact OD1-OG 3.26Å
35H91.6Very high91Very high62 Ų6258.6 Ų58.629%0.28734%0.337SS..EExtended strand (participates in β ladder)trans-135.9140-172.3-61.389.8000111.3A7 F83A7-H35 HydrophobicContact CB-CB 4.26Å; A7-H35 PolarHBondContact N-O 2.87Å; H35-F83 VanDerWaalsContact CA-O 3.28Å; H35-F83 WeakPolarHBondContact CA-O 3.4Å
36V94Very high91.1Very high0 Ų058.8 Ų58.80%034%0.338CS..EExtended strand (participates in β ladder)trans-123.6137.6173.6175.10000108.6L5 V6 L27 V33 V38 F83 I85 V111L5-V36 CarbonylContact O-C 3.29Å; V6-V36 HydrophobicContact CG2-CG2 4.25Å; L27-V36 HydrophobicContact CD1-CG2 3.89Å; V33-V36 HydrophobicContact CG1-CG2 4.06Å; V36-V38 HydrophobicContact CG1-CG2 3.98Å; V36-F83 PolarHBondContact N-O 3.31Å; V36-F83 PolarHBondContact O-N 2.9Å; V36-I85 HydrophobicContact CG2-CD1 3.61Å; V36-I85 HydrophobicContact CG2-CG1 4.1Å; V36-I85 HydrophobicContact CG2-CG2 4.33Å; V36-V111 HydrophobicContact CG1-CG2 4.05Å
37V96.5Very high91.4Very high33 Ų3358.9 Ų58.920%0.234%0.343CS..EExtended strand (participates in β ladder)trans-109.3127.4171.7-169.80000108C4 L5 F39 A81 I82C4-V37 CarbonylContact C-O 3.56Å; C4-V37 WeakPolarHBondContact CA-O 3.4Å; L5-V37 HydrophobicContact CB-CB 4.2Å; L5-V37 PolarHBondContact N-O 3.46Å; L5-V37 PolarHBondContact O-N 3.43Å; V37-F39 HydrophobicContact CG1-CD1 4.13Å; V37-A81 WeakPolarHBondContact CA-O 3.3Å; V37-I82 HydrophobicContact CG1-CG1 4.2Å; V37-I82 HydrophobicContact CG2-CG1 4.08Å; V37-I82 HydrophobicContact CG2-CG2 4.27Å
38V97.6Very high91.6Very high0 Ų063.9 Ų63.90%038%0.384CS..EExtended strand (participates in β ladder)trans-118.5132.9173.5-175.70000108.2V36 V54 I74 S80 A81 F83 V111 V113V36-V38 HydrophobicContact CG1-CG2 3.98Å; V38-V54 HydrophobicContact CB-CG1 4.32Å; V38-V54 HydrophobicContact CB-CG2 4.44Å; V38-V54 HydrophobicContact CG1-CG1 4.48Å; V38-V54 HydrophobicContact CG1-CG2 4.21Å; V38-V54 HydrophobicContact CG2-CG1 3.83Å; V38-I74 HydrophobicContact CG1-CD1 4.19Å; V38-S80 CarbonylContact O-C 3.42Å; V38-S80 WeakPolarHBondContact O-CA 3.48Å; V38-A81 PolarHBondContact N-O 3.32Å; V38-A81 PolarHBondContact O-N 2.73Å; V38-F83 HydrophobicContact CB-CE2 4.3Å; V38-F83 HydrophobicContact CG2-CD2 4.39Å; V38-F83 HydrophobicContact CG2-CE2 4.32Å; V38-V111 HydrophobicContact CG2-CG1 3.73Å; V38-V113 HydrophobicContact CG1-CG2 3.88Å
39F98.1Very high92Very high51 Ų5163.9 Ų63.922%0.22439%0.389CS..EExtended strand (participates in β ladder)trans-150.7159.6-175.559.6-83.6000112.9F2 G3 L5 V11 V37 L41 P79F2-F39 CarbonylContact C-O 3.6Å; F2-F39 VanDerWaalsContact CA-O 3.3Å; F2-F39 WeakPolarHBondContact CA-O 3.29Å; G3-F39 PolarHBondContact N-O 3.39Å; G3-F39 WeakPolarHBondContact O-CD1 3.16Å; G3-F39 PolarHBondContact O-N 2.87Å; L5-F39 HydrophobicContact CB-CE1 4.19Å; V11-F39 HydrophobicContact CG2-CE1 4.23Å; V11-F39 HydrophobicContact CG2-CZ 3.71Å; V37-F39 HydrophobicContact CG1-CD1 4.13Å; F39-L41 HydrophobicContact CD2-CD2 4.37Å; F39-L41 HydrophobicContact CE2-CD2 3.78Å; F39-P79 CarbonylContact C-O 3.57Å; F39-P79 WeakPolarHBondContact CA-O 3.35Å
40M97.9Very high92.7Very high22 Ų2262.3 Ų62.311%0.10838%0.379CS..EExtended strand (participates in β ladder)trans-82139.7170.4-58.4178.773.600110.1M1 F2 G42 V44 F46 I74 P79M1-M40 HydrophobicContact CE-CE 4.23Å; F2-M40 HydrophobicContact CD1-CG 4.26Å; F2-M40 HydrophobicContact CE1-CG 4.18Å; M40-G42 PolarHBondContact O-N 3.02Å; M40-V44 WeakPolarHBondContact CE-O 3.39Å; M40-F46 HydrophobicContact CE-CD2 3.45Å; M40-F46 VanDerWaalsContact CE-CD2 3.45Å; M40-F46 HydrophobicContact CE-CE2 3.74Å; M40-F46 HydrophobicContact CE-CG 4.15Å; M40-F46 HydrophobicContact CG-CE2 4.04Å; M40-F46 HydrophobicContact SD-CD2 3.5Å; M40-F46 VanDerWaalsContact SD-CD2 3.5Å; M40-F46 HydrophobicContact SD-CE2 3.38Å; M40-F46 WeakPolarHBondContact SD-CE2 3.21Å; M40-F46 HydrophobicContact SD-CZ 4.49Å; M40-I74 HydrophobicContact CG-CD1 4.28Å; M40-P79 HydrophobicContact CB-CB 4.09Å; M40-P79 HydrophobicContact CG-CB 4.11Å; M40-P79 PolarHBondContact N-O 2.9Å; M40-P79 HydrophobicContact SD-CB 3.88Å
41L96.6Very high93.4Very high65 Ų6560.6 Ų60.634%0.3437%0.371SS..  trans-75.9-7.2179.1-60.7178.6000113.6M1 T13 F39 T43M1-L41 PolarHBondContact O-N 3.1Å; T13-L41 HydrophobicContact CG2-CD1 4.31Å; T13-L41 HydrophobicContact CG2-CD2 3.92Å; F39-L41 HydrophobicContact CD2-CD2 4.37Å; F39-L41 HydrophobicContact CE2-CD2 3.78Å; L41-T43 HydrophobicContact CB-CG2 4.46Å; L41-T43 PolarHBondContact O-N 3.11Å
42G93Very high94.2Very high71 Ų7152.7 Ų52.773%0.73234%0.335SS*.SBendtrans75.52.9-174.800000114.8M40M40-G42 PolarHBondContact O-N 3.02Å
43T93.8Very high94.9Very high102 Ų10246.5 Ų46.563%0.62630%0.301SS*.SBendtrans-83.5-34.9179.250.90000113.5L41L41-T43 HydrophobicContact CB-CG2 4.46Å; L41-T43 PolarHBondContact O-N 3.11Å
44V94.3Very high95.4Very high77 Ų7746.1 Ų46.147%0.46730%0.299SS..SBendtrans-138.5118-179.9-178.50000108.3M1 M40M1-V44 HydrophobicContact CG-CB 4.31Å; M1-V44 HydrophobicContact SD-CG1 4.49Å; M40-V44 WeakPolarHBondContact CE-O 3.39Å
45P95.9Very high95.8Very high89 Ų8942.4 Ų42.458%0.57828%0.279SS*.PPolyproline II helixtrans-74162.9174.832.1-34.6000111.1
46F97Very high95.8Very high6 Ų639.6 Ų39.63%0.02627%0.266CS..PPolyproline II helixtrans-64.1145.1166.3-72.9-75.5000110.1M1 F2 M40 M50 G51 G52 I74 N76 V115M1-F46 HydrophobicContact CE-CB 4.43Å; M1-F46 HydrophobicContact CE-CD1 3.49Å; M1-F46 VanDerWaalsContact CE-CD1 3.49Å; M1-F46 HydrophobicContact CE-CD2 4.48Å; M1-F46 HydrophobicContact CE-CE1 3.8Å; M1-F46 HydrophobicContact CE-CG 3.88Å; M1-F46 HydrophobicContact CE-CZ 4.42Å; F2-F46 AromaticContact CE1-CE1 3.84Å; F2-F46 HydrophobicContact CE1-CE1 3.84Å; F2-F46 HydrophobicContact CE1-CE2 4.08Å; F2-F46 AromaticContact CE1-CZ 3.36Å; F2-F46 HydrophobicContact CE1-CZ 3.36Å; F2-F46 AromaticContact CZ-CE1 3.56Å; F2-F46 HydrophobicContact CZ-CE1 3.56Å; F2-F46 AromaticContact CZ-CZ 3.61Å; F2-F46 HydrophobicContact CZ-CZ 3.61Å; M40-F46 HydrophobicContact CE-CD2 3.45Å; M40-F46 VanDerWaalsContact CE-CD2 3.45Å; M40-F46 HydrophobicContact CE-CE2 3.74Å; M40-F46 HydrophobicContact CE-CG 4.15Å; M40-F46 HydrophobicContact CG-CE2 4.04Å; M40-F46 HydrophobicContact SD-CD2 3.5Å; M40-F46 VanDerWaalsContact SD-CD2 3.5Å; M40-F46 HydrophobicContact SD-CE2 3.38Å; M40-F46 WeakPolarHBondContact SD-CE2 3.21Å; M40-F46 HydrophobicContact SD-CZ 4.49Å; F46-M50 HydrophobicContact CB-CB 4.41Å; F46-M50 WeakPolarHBondContact CB-O 3.3Å; F46-G51 VanDerWaalsContact CE1-C 3.46Å; F46-G52 VanDerWaalsContact CZ-N 3.3Å; F46-I74 HydrophobicContact CE2-CD1 4.36Å; F46-I74 HydrophobicContact CE2-CG1 4.19Å; F46-I74 HydrophobicContact CZ-CD1 4.13Å; F46-I74 HydrophobicContact CZ-CG1 4.04Å; F46-N76 PolarHBondContact N-OD1 3.12Å; F46-N76 PolarHBondContact O-ND2 3.11Å; F46-V115 HydrophobicContact CD1-CG1 3.93Å; F46-V115 HydrophobicContact CD1-CG2 4.44Å; F46-V115 HydrophobicContact CE1-CG1 4.18Å; F46-V115 HydrophobicContact CE1-CG2 4.03Å
47P96.7Very high95.6Very high77 Ų7739.6 Ų39.650%0.527%0.266SS..PPolyproline II helixtrans-54.9159168.8-22.532.6000112.1G49 M50P47-G49 PolarHBondContact O-N 2.96Å; P47-M50 HydrophobicContact CB-CB 4.34Å; P47-M50 HydrophobicContact CB-CG 3.94Å; P47-M50 HydrophobicContact CG-CG 4.32Å; P47-M50 WeakPolarHBondContact O-CB 3.45Å; P47-M50 PolarHBondContact O-N 3.08Å; P47-M50 VanDerWaalsContact O-N 3.07Å
48A95.4Very high95Very high105 Ų10538.8 Ų38.887%0.86826%0.26SS*.THydrogen-bonded Turntrans-57.3131.9177.500000111M50A48-M50 VanDerWaalsContact C-N 3.28Å; A48-M50 PolarHBondContact O-N 2.75Å
49G94.6Very high94.1Very high49 Ų4939.7 Ų39.751%0.50527%0.265SS..THydrogen-bonded Turntrans76.66.6-178.600000115.3P47 A117 L118P47-G49 PolarHBondContact O-N 2.96Å; G49-A117 WeakPolarHBondContact O-CA 3.36Å; G49-L118 WeakPolarHBondContact O-CG 3.28Å; G49-L118 PolarHBondContact O-N 3.02Å
50M97.5Very high93Very high71 Ų7139 Ų3935%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-112.4154.1-179.7-60.4-68.1-155.900112.7F46 P47 A48 V115 E116 A117F46-M50 HydrophobicContact CB-CB 4.41Å; F46-M50 WeakPolarHBondContact CB-O 3.3Å; P47-M50 HydrophobicContact CB-CB 4.34Å; P47-M50 HydrophobicContact CB-CG 3.94Å; P47-M50 HydrophobicContact CG-CG 4.32Å; P47-M50 WeakPolarHBondContact O-CB 3.45Å; P47-M50 PolarHBondContact O-N 3.08Å; P47-M50 VanDerWaalsContact O-N 3.07Å; A48-M50 VanDerWaalsContact C-N 3.28Å; A48-M50 PolarHBondContact O-N 2.75Å; M50-V115 HydrophobicContact CB-CG1 4.06Å; M50-V115 HydrophobicContact CG-CG1 4.47Å; M50-E116 CarbonylContact C-O 3.52Å; M50-E116 WeakPolarHBondContact CA-O 3.04Å; M50-E116 VanDerWaalsContact SD-C 3.58Å; M50-A117 HydrophobicContact SD-CB 4.3Å
51G97.1Very high91.5Very high0 Ų043.9 Ų43.90%030%0.297CS..EExtended strand (participates in β ladder)trans-142.7-174.4169.400000111F46 V115 E116F46-G51 VanDerWaalsContact CE1-C 3.46Å; G51-V115 CarbonylContact O-C 3.59Å; G51-V115 WeakPolarHBondContact O-CA 3.25Å; G51-E116 PolarHBondContact N-O 2.79Å; G51-E116 PolarHBondContact O-N 2.73Å
52G97.2Very high90.2Very high0 Ų044.3 Ų44.30%032%0.318CS..EExtended strand (participates in β ladder)trans-115.8119.3178.500000111.8F46 F73 I74 S114F46-G52 VanDerWaalsContact CZ-N 3.3Å; G52-F73 CarbonylContact O-C 3.52Å; G52-F73 VanDerWaalsContact O-CA 3.25Å; G52-F73 WeakPolarHBondContact O-CA 3.34Å; G52-I74 PolarHBondContact N-O 3.29Å; G52-I74 PolarHBondContact O-N 2.92Å; G52-S114 CarbonylContact C-O 3.57Å; G52-S114 VanDerWaalsContact CA-O 3.31Å; G52-S114 WeakPolarHBondContact CA-O 3.5Å
53A96.5Very high89.1Confident0 Ų044.8 Ų44.80%031%0.309CS..EExtended strand (participates in β ladder)trans-79.5125.4163.100000109.9Y55 L70 F73 V113 S114 L121A53-Y55 HydrophobicContact CB-CD2 4.15Å; A53-Y55 HydrophobicContact CB-CE2 3.46Å; A53-Y55 VanDerWaalsContact CB-CE2 3.46Å; A53-L70 HydrophobicContact CB-CD1 3.95Å; A53-F73 HydrophobicContact CB-CD1 4.25Å; A53-F73 HydrophobicContact CB-CE1 4.45Å; A53-V113 WeakPolarHBondContact O-CA 3.21Å; A53-S114 PolarHBondContact N-O 2.92Å; A53-S114 PolarHBondContact O-N 2.94Å; A53-L121 HydrophobicContact CB-CD2 3.64Å
54V96.1Very high87.9Confident0 Ų042.3 Ų42.30%031%0.305CS..EExtended strand (participates in β ladder)trans-101.9120.5-179.3-175.30000108.9V38 L71 G72 I74 F83 V111 G112 V113V38-V54 HydrophobicContact CB-CG1 4.32Å; V38-V54 HydrophobicContact CB-CG2 4.44Å; V38-V54 HydrophobicContact CG1-CG1 4.48Å; V38-V54 HydrophobicContact CG1-CG2 4.21Å; V38-V54 HydrophobicContact CG2-CG1 3.83Å; V54-L71 HydrophobicContact CG1-CD1 4.27Å; V54-L71 WeakPolarHBondContact O-CB 3.4Å; V54-L71 PolarHBondContact O-N 3.41Å; V54-G72 PolarHBondContact N-O 3.42Å; V54-G72 PolarHBondContact O-N 3.21Å; V54-I74 HydrophobicContact CG2-CG1 4.16Å; V54-I74 HydrophobicContact CG2-CG2 4.38Å; V54-F83 HydrophobicContact CB-CE2 4.01Å; V54-F83 HydrophobicContact CB-CZ 4.08Å; V54-F83 HydrophobicContact CG1-CD2 4.26Å; V54-F83 HydrophobicContact CG1-CE2 3.77Å; V54-F83 HydrophobicContact CG1-CZ 4.32Å; V54-F83 HydrophobicContact CG2-CE2 4.14Å; V54-F83 HydrophobicContact CG2-CZ 4.22Å; V54-V111 HydrophobicContact CG1-CG1 4.09Å; V54-G112 CarbonylContact C-O 3.58Å; V54-G112 WeakPolarHBondContact CA-O 3.39Å; V54-V113 HydrophobicContact CG2-CG2 4.49Å
55Y93.9Very high87Confident10 Ų1040.8 Ų40.84%0.03930%0.3CS..EExtended strand (participates in β ladder)trans-116.3154.5178.2-63.8-103.6000111.2A53 Q69 L70 H96 P97 F98 V111 G112 Q124A53-Y55 HydrophobicContact CB-CD2 4.15Å; A53-Y55 HydrophobicContact CB-CE2 3.46Å; A53-Y55 VanDerWaalsContact CB-CE2 3.46Å; Y55-Q69 CarbonylContact C-O 3.57Å; Y55-Q69 WeakPolarHBondContact CA-O 3.41Å; Y55-L70 HydrophobicContact CD1-CB 3.96Å; Y55-L70 HydrophobicContact CD1-CD1 4.23Å; Y55-L70 HydrophobicContact CD2-CD1 4.19Å; Y55-L70 HydrophobicContact CE1-CB 3.75Å; Y55-L70 HydrophobicContact CE1-CD1 3.9Å; Y55-L70 HydrophobicContact CE1-CG 4.38Å; Y55-L70 HydrophobicContact CE2-CD1 3.91Å; Y55-L70 HydrophobicContact CG-CD1 4.37Å; Y55-H96 HydrophobicContact CD1-CB 4.31Å; Y55-H96 HydrophobicContact CE1-CB 4.24Å; Y55-P97 HydrophobicContact CE2-CG 3.94Å; Y55-F98 HydrophobicContact CD2-CD2 4.46Å; Y55-F98 AromaticContact CD2-CE2 3.54Å; Y55-F98 HydrophobicContact CD2-CE2 3.54Å; Y55-F98 HydrophobicContact CD2-CZ 4.35Å; Y55-F98 HydrophobicContact CE2-CE2 4.18Å; Y55-F98 HydrophobicContact CG-CD2 4.49Å; Y55-F98 AromaticContact CG-CE2 3.88Å; Y55-F98 HydrophobicContact CG-CE2 3.88Å; Y55-V111 CarbonylContact O-C 3.57Å; Y55-V111 WeakPolarHBondContact O-CA 3.28Å; Y55-G112 PolarHBondContact N-O 3.39Å; Y55-G112 PolarHBondContact O-N 2.87Å; Y55-Q124 PolarHBondContact OH-OE1 2.88Å
56F92Very high86.1Confident4 Ų438.8 Ų38.82%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-121.6132.7171.2-177.1-113.8000109.9L27 F30 F58 W68 Q69 L71 I85 L88 A109 Q110 V111L27-F56 HydrophobicContact CD1-CE2 4.2Å; F30-F56 HydrophobicContact CD2-CZ 4.4Å; F56-F58 AromaticContact CD1-CD1 3.64Å; F56-F58 HydrophobicContact CD1-CD1 3.64Å; F56-F58 HydrophobicContact CD1-CE1 4.33Å; F56-F58 HydrophobicContact CE1-CB 3.92Å; F56-F58 AromaticContact CE1-CD1 3.6Å; F56-F58 HydrophobicContact CE1-CD1 3.6Å; F56-F58 HydrophobicContact CE1-CG 4.12Å; F56-F58 HydrophobicContact CZ-CB 4.37Å; F56-W68 CarbonylContact O-C 3.57Å; F56-W68 WeakPolarHBondContact O-CA 3.5Å; F56-Q69 PolarHBondContact N-O 2.97Å; F56-Q69 PolarHBondContact O-N 3.04Å; F56-L71 HydrophobicContact CB-CD1 3.65Å; F56-L71 HydrophobicContact CB-CD2 3.8Å; F56-L71 HydrophobicContact CB-CG 3.74Å; F56-I85 HydrophobicContact CD1-CB 4.33Å; F56-I85 HydrophobicContact CD1-CG2 4.27Å; F56-I85 HydrophobicContact CD2-CD1 4.32Å; F56-I85 HydrophobicContact CD2-CG2 4.25Å; F56-I85 HydrophobicContact CE1-CB 4.14Å; F56-I85 HydrophobicContact CE1-CD1 4.23Å; F56-I85 HydrophobicContact CE2-CD1 3.57Å; F56-I85 HydrophobicContact CE2-CG2 4.5Å; F56-I85 HydrophobicContact CG-CG2 4.14Å; F56-I85 HydrophobicContact CZ-CB 4.27Å; F56-I85 HydrophobicContact CZ-CD1 3.52Å; F56-L88 HydrophobicContact CD1-CD1 3.7Å; F56-L88 HydrophobicContact CE1-CD1 4.27Å; F56-A109 HydrophobicContact CE2-CB 3.62Å; F56-A109 HydrophobicContact CZ-CB 3.57Å; F56-Q110 CarbonylContact C-O 3.5Å; F56-Q110 WeakPolarHBondContact CA-O 3.47Å; F56-Q110 VanDerWaalsContact CD2-O 3.3Å; F56-Q110 WeakPolarHBondContact CD2-O 3.39Å; F56-V111 HydrophobicContact CD2-CG2 3.96Å; F56-V111 HydrophobicContact CE2-CG2 4.49Å
57S89.1Confident85.5Confident0 Ų039.5 Ų39.50%029%0.292CS..EExtended strand (participates in β ladder)trans-112.9132.2174.7-161.10000110.4P66 V67 W68 A109 Q110S57-P66 WeakPolarHBondContact OG-CB 3.25Å; S57-V67 VanDerWaalsContact CA-O 3.27Å; S57-V67 WeakPolarHBondContact CA-O 3.44Å; S57-W68 VanDerWaalsContact CB-CD2 3.49Å; S57-W68 VanDerWaalsContact CB-CE2 3.46Å; S57-W68 PolarHBondContact OG-NE1 3.13Å; S57-A109 CarbonylContact O-C 3.5Å; S57-A109 VanDerWaalsContact O-CA 3.28Å; S57-A109 WeakPolarHBondContact O-CA 3.41Å; S57-A109 WeakPolarHBondContact O-CB 2.92Å; S57-Q110 PolarHBondContact N-O 3.03Å; S57-Q110 PolarHBondContact O-N 3.48Å
58F84.9Confident85.1Confident16 Ų1635.9 Ų35.97%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-137.1151.6170.558.3-83.7000109.5F30 F56 D60 V67 Q69 L88 A90F30-F58 HydrophobicContact CD2-CB 4.48Å; F30-F58 HydrophobicContact CE2-CB 3.98Å; F30-F58 HydrophobicContact CZ-CB 4.36Å; F56-F58 AromaticContact CD1-CD1 3.64Å; F56-F58 HydrophobicContact CD1-CD1 3.64Å; F56-F58 HydrophobicContact CD1-CE1 4.33Å; F56-F58 HydrophobicContact CE1-CB 3.92Å; F56-F58 AromaticContact CE1-CD1 3.6Å; F56-F58 HydrophobicContact CE1-CD1 3.6Å; F56-F58 HydrophobicContact CE1-CG 4.12Å; F56-F58 HydrophobicContact CZ-CB 4.37Å; F58-D60 PolarHBondContact O-N 3.38Å; F58-V67 PolarHBondContact N-O 2.88Å; F58-V67 PolarHBondContact O-N 3.31Å; F58-Q69 HydrophobicContact CE1-CG 4.29Å; F58-L88 HydrophobicContact CE1-CB 4.28Å; F58-A90 HydrophobicContact CE2-CB 4.02Å; F58-A90 HydrophobicContact CZ-CB 4.4Å
59P78.1Confident84.8Confident18 Ų1831.5 Ų31.512%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-66.8129176.824.8-30.3000110F30 P106F30-P59 HydrophobicContact CE1-CG 3.92Å; F30-P59 HydrophobicContact CZ-CG 3.85Å; P59-P106 VanDerWaalsContact CG-O 3.31Å; P59-P106 WeakPolarHBondContact CG-O 3.48Å
60D74.9Confident84.6Confident37 Ų3730 Ų3020%0.19821%0.21CC..  trans-67127.3172.8175.349.5000110.4F58 G62 S63 G64 A65 V67 A90F58-D60 PolarHBondContact O-N 3.38Å; D60-G62 PolarHBondContact O-N 2.95Å; D60-G62 VanDerWaalsContact O-N 3.16Å; D60-G62 PolarHBondContact OD2-N 2.92Å; D60-S63 WeakPolarHBondContact CB-OG 3.47Å; D60-S63 WeakPolarHBondContact OD2-CB 3.21Å; D60-S63 PolarHBondContact OD2-N 3.17Å; D60-S63 PolarHBondContact OD2-OG 2.95Å; D60-G64 VanDerWaalsContact O-CA 3.25Å; D60-G64 WeakPolarHBondContact O-CA 3.25Å; D60-G64 PolarHBondContact O-N 3.18Å; D60-A65 WeakPolarHBondContact CB-O 3.45Å; D60-A65 PolarHBondContact N-O 3.09Å; D60-V67 HydrophobicContact CB-CG2 3.79Å; D60-A90 WeakPolarHBondContact OD1-CB 3.45Å
61P67.4Low84.4Confident124 Ų12426.7 Ų26.781%0.80519%0.194SC*.THydrogen-bonded Turntrans-60.9-24.4-179.4-24.133.4000114.5
62G69.3Low84.2Confident75 Ų7527 Ų2777%0.77320%0.196SC*.THydrogen-bonded Turntrans-88.3-48.5-177.600000113.8D60D60-G62 PolarHBondContact O-N 2.95Å; D60-G62 VanDerWaalsContact O-N 3.16Å; D60-G62 PolarHBondContact OD2-N 2.92Å
63S69.9Low84.1Confident80 Ų8029.5 Ų29.556%0.55921%0.208SC*.THydrogen-bonded Turntrans-100.4-16.3-174.661.90000114.2D60 A65D60-S63 WeakPolarHBondContact CB-OG 3.47Å; D60-S63 WeakPolarHBondContact OD2-CB 3.21Å; D60-S63 PolarHBondContact OD2-N 3.17Å; D60-S63 PolarHBondContact OD2-OG 2.95Å; S63-A65 PolarHBondContact O-N 3.3Å; S63-A65 VanDerWaalsContact O-N 3.16Å; S63-A65 PolarHBondContact OG-N 2.92Å
64G68.3Low84.1Confident51 Ų5129.5 Ų29.553%0.52621%0.208SC..  trans68.11.6-172.200000114.1D60D60-G64 VanDerWaalsContact O-CA 3.25Å; D60-G64 WeakPolarHBondContact O-CA 3.25Å; D60-G64 PolarHBondContact O-N 3.18Å
65A74.4Confident84.2Confident44 Ų4430.9 Ų30.936%0.36422%0.216SC..  trans-79.8148.4179.300000111.1D60 S63 V67D60-A65 WeakPolarHBondContact CB-O 3.45Å; D60-A65 PolarHBondContact N-O 3.09Å; S63-A65 PolarHBondContact O-N 3.3Å; S63-A65 VanDerWaalsContact O-N 3.16Å; S63-A65 PolarHBondContact OG-N 2.92Å; A65-V67 PolarHBondContact O-N 3.32Å
66P78.8Confident84.2Confident47 Ų4733.9 Ų33.931%0.30523%0.233SC..EExtended strand (participates in β ladder)trans-63.6124.9172.320.8-28.1000110.9S57 V104S57-P66 WeakPolarHBondContact OG-CB 3.25Å; P66-V104 HydrophobicContact CB-CG2 3.6Å; P66-V104 HydrophobicContact CG-CG2 3.96Å
67V84.3Confident84.4Confident21 Ų2141.4 Ų41.413%0.12727%0.273CS..EExtended strand (participates in β ladder)trans-105.4123.2169.4173.20000108.5S57 F58 D60 A65 Q69S57-V67 VanDerWaalsContact CA-O 3.27Å; S57-V67 WeakPolarHBondContact CA-O 3.44Å; F58-V67 PolarHBondContact N-O 2.88Å; F58-V67 PolarHBondContact O-N 3.31Å; D60-V67 HydrophobicContact CB-CG2 3.79Å; A65-V67 PolarHBondContact O-N 3.32Å; V67-Q69 HydrophobicContact CG1-CG 4.42Å
68W87.9Confident84.7Confident2 Ų247.6 Ų47.61%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-98.2138.2176.4-6883.8000111.4F56 S57 G94 H96 F98 A102 Q110F56-W68 CarbonylContact O-C 3.57Å; F56-W68 WeakPolarHBondContact O-CA 3.5Å; S57-W68 VanDerWaalsContact CB-CD2 3.49Å; S57-W68 VanDerWaalsContact CB-CE2 3.46Å; S57-W68 PolarHBondContact OG-NE1 3.13Å; W68-G94 PolarHBondContact O-N 3.4Å; W68-H96 HydrophobicContact CB-CB 3.54Å; W68-H96 VanDerWaalsContact CB-CG 3.45Å; W68-H96 AromaticContact CD1-CD2 3.61Å; W68-H96 AromaticContact CD1-CE1 3.22Å; W68-H96 AromaticContact CD1-CG 3.62Å; W68-H96 AromaticContact CD1-ND1 3.37Å; W68-H96 AromaticContact CD1-NE2 3.36Å; W68-H96 HydrophobicContact CG-CB 3.98Å; W68-H96 AromaticContact CG-CD2 3.79Å; W68-H96 AromaticContact CG-CE1 3.94Å; W68-H96 AromaticContact CG-CG 3.56Å; W68-H96 AromaticContact CG-ND1 3.66Å; W68-H96 AromaticContact NE1-CE1 3.69Å; W68-H96 AromaticContact NE1-ND1 3.84Å; W68-F98 HydrophobicContact CD2-CB 4.38Å; W68-F98 HydrophobicContact CD2-CD2 4.1Å; W68-F98 AromaticContact CE3-CD2 3.77Å; W68-F98 HydrophobicContact CE3-CD2 3.77Å; W68-F98 HydrophobicContact CE3-CE2 4.27Å; W68-F98 HydrophobicContact CE3-CG 4.41Å; W68-F98 HydrophobicContact CH2-CB 4.19Å; W68-F98 HydrophobicContact CH2-CD1 4.37Å; W68-F98 HydrophobicContact CH2-CD2 4.05Å; W68-F98 AromaticContact CH2-CG 3.93Å; W68-F98 HydrophobicContact CH2-CG 3.93Å; W68-F98 HydrophobicContact CZ2-CB 3.79Å; W68-F98 HydrophobicContact CZ2-CD2 4.37Å; W68-F98 HydrophobicContact CZ2-CG 4.06Å; W68-F98 AromaticContact CZ3-CD2 3.74Å; W68-F98 HydrophobicContact CZ3-CD2 3.74Å; W68-F98 HydrophobicContact CZ3-CE2 4.07Å; W68-F98 HydrophobicContact CZ3-CG 4.12Å; W68-A102 HydrophobicContact CZ2-CB 3.84Å; W68-Q110 HydrophobicContact CH2-CB 3.99Å
69Q89.1Confident85.3Confident13 Ų1349.5 Ų49.56%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-131135.2175.5-65-175-2.900110Y55 F56 F58 V67 L71 K89 V127Y55-Q69 CarbonylContact C-O 3.57Å; Y55-Q69 WeakPolarHBondContact CA-O 3.41Å; F56-Q69 PolarHBondContact N-O 2.97Å; F56-Q69 PolarHBondContact O-N 3.04Å; F58-Q69 HydrophobicContact CE1-CG 4.29Å; V67-Q69 HydrophobicContact CG1-CG 4.42Å; Q69-L71 PolarHBondContact O-N 3.28Å; Q69-K89 PolarHBondContact NE2-O 3.46Å; Q69-V127 HydrophobicContact CB-CG1 4.15Å
70L91.1Very high86.2Confident16 Ų1651.6 Ų51.68%0.08433%0.329CS..EExtended strand (participates in β ladder)trans-73.8116.5174.2178.267.5000109.5A53 Y55 F73 Q124 P126 V127A53-L70 HydrophobicContact CB-CD1 3.95Å; Y55-L70 HydrophobicContact CD1-CB 3.96Å; Y55-L70 HydrophobicContact CD1-CD1 4.23Å; Y55-L70 HydrophobicContact CD2-CD1 4.19Å; Y55-L70 HydrophobicContact CE1-CB 3.75Å; Y55-L70 HydrophobicContact CE1-CD1 3.9Å; Y55-L70 HydrophobicContact CE1-CG 4.38Å; Y55-L70 HydrophobicContact CE2-CD1 3.91Å; Y55-L70 HydrophobicContact CG-CD1 4.37Å; L70-F73 HydrophobicContact CD1-CE1 3.99Å; L70-F73 HydrophobicContact CD2-CE1 3.91Å; L70-F73 HydrophobicContact CD2-CZ 3.9Å; L70-F73 HydrophobicContact CG-CE1 4.4Å; L70-Q124 HydrophobicContact CD2-CB 3.63Å; L70-Q124 HydrophobicContact CD2-CG 4.46Å; L70-P126 HydrophobicContact CD2-CB 4.45Å; L70-P126 HydrophobicContact CD2-CG 4.2Å; L70-P126 HydrophobicContact CG-CB 4.3Å; L70-P126 HydrophobicContact CG-CG 4.41Å; L70-P126 WeakPolarHBondContact O-CA 3.37Å; L70-V127 WeakPolarHBondContact O-CG2 3.38Å; L70-V127 PolarHBondContact O-N 2.89Å
71L91.9Very high87.1Confident2 Ų250.5 Ų50.51%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-85.3-35.4178.1-61.9-178000112.5V54 F56 Q69 F83 I85 L88 A130V54-L71 HydrophobicContact CG1-CD1 4.27Å; V54-L71 WeakPolarHBondContact O-CB 3.4Å; V54-L71 PolarHBondContact O-N 3.41Å; F56-L71 HydrophobicContact CB-CD1 3.65Å; F56-L71 HydrophobicContact CB-CD2 3.8Å; F56-L71 HydrophobicContact CB-CG 3.74Å; Q69-L71 PolarHBondContact O-N 3.28Å; L71-F83 HydrophobicContact CB-CB 4.29Å; L71-F83 HydrophobicContact CB-CD1 3.61Å; L71-F83 HydrophobicContact CB-CD2 4.35Å; L71-F83 HydrophobicContact CB-CE1 3.94Å; L71-F83 HydrophobicContact CB-CG 3.82Å; L71-F83 HydrophobicContact CB-CZ 4.42Å; L71-F83 HydrophobicContact CD1-CB 3.78Å; L71-F83 HydrophobicContact CD1-CD2 4.09Å; L71-F83 HydrophobicContact CD1-CG 3.88Å; L71-F83 HydrophobicContact CG-CB 4.5Å; L71-F83 HydrophobicContact CG-CG 4.46Å; L71-F83 WeakPolarHBondContact O-CE1 3.48Å; L71-I85 HydrophobicContact CD1-CG2 4.08Å; L71-I85 HydrophobicContact CD2-CG2 4.3Å; L71-L88 HydrophobicContact CD2-CD1 3.94Å; L71-A130 HydrophobicContact CB-CB 4.02Å; L71-A130 HydrophobicContact CD2-CB 3.5Å; L71-A130 HydrophobicContact CG-CB 4.38Å
72G93.1Very high88.4Confident6 Ų649.2 Ų49.26%0.06231%0.311CS..EExtended strand (participates in β ladder)trans156.1-152.3-178.900000112.3V54V54-G72 PolarHBondContact N-O 3.42Å; V54-G72 PolarHBondContact O-N 3.21Å
73F94.8Very high89.5Confident53 Ų5346.1 Ų46.123%0.23228%0.276CS..EExtended strand (participates in β ladder)trans-136.7152.1-168.5-42-72000112.6G52 A53 L70 L121 Q124 P126G52-F73 CarbonylContact O-C 3.52Å; G52-F73 VanDerWaalsContact O-CA 3.25Å; G52-F73 WeakPolarHBondContact O-CA 3.34Å; A53-F73 HydrophobicContact CB-CD1 4.25Å; A53-F73 HydrophobicContact CB-CE1 4.45Å; L70-F73 HydrophobicContact CD1-CE1 3.99Å; L70-F73 HydrophobicContact CD2-CE1 3.91Å; L70-F73 HydrophobicContact CD2-CZ 3.9Å; L70-F73 HydrophobicContact CG-CE1 4.4Å; F73-L121 HydrophobicContact CD1-CB 4.05Å; F73-L121 HydrophobicContact CD1-CD1 4.23Å; F73-L121 HydrophobicContact CD1-CD2 3.77Å; F73-L121 HydrophobicContact CD1-CG 4.24Å; F73-L121 HydrophobicContact CE1-CB 4.14Å; F73-L121 HydrophobicContact CE1-CD2 3.92Å; F73-L121 WeakPolarHBondContact CZ-O 3.35Å; F73-Q124 HydrophobicContact CE1-CB 4.04Å; F73-Q124 HydrophobicContact CZ-CB 3.8Å; F73-P126 HydrophobicContact CD2-CG 4.26Å; F73-P126 HydrophobicContact CE2-CG 3.44Å; F73-P126 VanDerWaalsContact CE2-CG 3.44Å; F73-P126 HydrophobicContact CZ-CG 3.66Å
74I96.9Very high90.4Very high0 Ų045.7 Ų45.70%026%0.264CS..EExtended strand (participates in β ladder)trans-127144.716655.2168.4000109.3F2 V38 M40 F46 G52 V54 K78 A81 V113F2-I74 HydrophobicContact CD1-CD1 3.77Å; F2-I74 HydrophobicContact CE1-CD1 3.82Å; V38-I74 HydrophobicContact CG1-CD1 4.19Å; M40-I74 HydrophobicContact CG-CD1 4.28Å; F46-I74 HydrophobicContact CE2-CD1 4.36Å; F46-I74 HydrophobicContact CE2-CG1 4.19Å; F46-I74 HydrophobicContact CZ-CD1 4.13Å; F46-I74 HydrophobicContact CZ-CG1 4.04Å; G52-I74 PolarHBondContact N-O 3.29Å; G52-I74 PolarHBondContact O-N 2.92Å; V54-I74 HydrophobicContact CG2-CG1 4.16Å; V54-I74 HydrophobicContact CG2-CG2 4.38Å; I74-K78 WeakPolarHBondContact CA-O 3.24Å; I74-A81 HydrophobicContact CG2-CB 3.96Å; I74-V113 HydrophobicContact CD1-CG1 4.44Å
75T97.3Very high91.3Very high30 Ų3043.8 Ų43.818%0.18424%0.242CC..  trans-139.3174.6-179.266.60000110.1D77 K78 P79 L118T75-D77 PolarHBondContact O-N 2.94Å; T75-D77 PolarHBondContact OG1-N 3Å; T75-K78 PolarHBondContact N-O 3.47Å; T75-K78 CarbonylContact O-C 3.56Å; T75-K78 PolarHBondContact O-N 2.96Å; T75-K78 VanDerWaalsContact O-O 3.09Å; T75-K78 PolarHBondContact OG1-N 3.37Å; T75-P79 WeakPolarHBondContact O-CA 3.17Å; T75-L118 HydrophobicContact CG2-CD2 3.72Å
76N95.9Very high91.7Very high73 Ų7343.4 Ų43.439%0.3924%0.236SC..SBendtrans-59.9-35173.3-71.5-30.4000112.2F46F46-N76 PolarHBondContact N-OD1 3.12Å; F46-N76 PolarHBondContact O-ND2 3.11Å
77D94.6Very high91.5Very high161 Ų16144.5 Ų44.586%0.86126%0.256SS*.SBendtrans-78.8-28.1177.8-57.7-45.2000112.8T75T75-D77 PolarHBondContact O-N 2.94Å; T75-D77 PolarHBondContact OG1-N 3Å
78K95.6Very high91Very high130 Ų13044.4 Ų44.457%0.56526%0.255SS*.SBendtrans-127.176.2175.9-169.3179.5178.5-179.60109.7I74 T75 S80I74-K78 WeakPolarHBondContact CA-O 3.24Å; T75-K78 PolarHBondContact N-O 3.47Å; T75-K78 CarbonylContact O-C 3.56Å; T75-K78 PolarHBondContact O-N 2.96Å; T75-K78 VanDerWaalsContact O-O 3.09Å; T75-K78 PolarHBondContact OG1-N 3.37Å; K78-S80 PolarHBondContact O-N 3.31Å; K78-S80 VanDerWaalsContact O-N 3.16Å
79P96.9Very high90Very high56 Ų5652.8 Ų52.836%0.36429%0.292SS..  trans-77.50.2-168.231.1-37.3000114.1F39 M40 T75F39-P79 CarbonylContact C-O 3.57Å; F39-P79 WeakPolarHBondContact CA-O 3.35Å; M40-P79 HydrophobicContact CB-CB 4.09Å; M40-P79 HydrophobicContact CG-CB 4.11Å; M40-P79 PolarHBondContact N-O 2.9Å; M40-P79 HydrophobicContact SD-CB 3.88Å; T75-P79 WeakPolarHBondContact O-CA 3.17Å
80S97.1Very high88.6Confident63 Ų6354.4 Ų54.444%0.44131%0.307SS..EExtended strand (participates in β ladder)trans-147.4146-179.461.80000112.1V38 K78V38-S80 CarbonylContact O-C 3.42Å; V38-S80 WeakPolarHBondContact O-CA 3.48Å; K78-S80 PolarHBondContact O-N 3.31Å; K78-S80 VanDerWaalsContact O-N 3.16Å
81A94.4Very high87Confident14 Ų1455.7 Ų55.712%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-145.6152.2174.500000111.4V37 V38 I74 F83V37-A81 WeakPolarHBondContact CA-O 3.3Å; V38-A81 PolarHBondContact N-O 3.32Å; V38-A81 PolarHBondContact O-N 2.73Å; I74-A81 HydrophobicContact CG2-CB 3.96Å; A81-F83 HydrophobicContact CB-CE1 4.07Å; A81-F83 HydrophobicContact CB-CE2 3.66Å; A81-F83 HydrophobicContact CB-CZ 3.39Å
82I94.7Very high85.2Confident97 Ų9765 Ų6550%0.49737%0.368SS..EExtended strand (participates in β ladder)trans-112.2132.8175.6-50.7178000107.5V37 V132V37-I82 HydrophobicContact CG1-CG1 4.2Å; V37-I82 HydrophobicContact CG2-CG1 4.08Å; V37-I82 HydrophobicContact CG2-CG2 4.27Å; I82-V132 HydrophobicContact CB-CG2 4.46Å; I82-V132 HydrophobicContact CG2-CG2 4.01Å
83F92.4Very high83.5Confident10 Ų1067 Ų674%0.04439%0.387CS..EExtended strand (participates in β ladder)trans-124.7136.1-178.3-55.6-72.9000110.7H35 V36 V38 V54 L71 A81 A130H35-F83 VanDerWaalsContact CA-O 3.28Å; H35-F83 WeakPolarHBondContact CA-O 3.4Å; V36-F83 PolarHBondContact N-O 3.31Å; V36-F83 PolarHBondContact O-N 2.9Å; V38-F83 HydrophobicContact CB-CE2 4.3Å; V38-F83 HydrophobicContact CG2-CD2 4.39Å; V38-F83 HydrophobicContact CG2-CE2 4.32Å; V54-F83 HydrophobicContact CB-CE2 4.01Å; V54-F83 HydrophobicContact CB-CZ 4.08Å; V54-F83 HydrophobicContact CG1-CD2 4.26Å; V54-F83 HydrophobicContact CG1-CE2 3.77Å; V54-F83 HydrophobicContact CG1-CZ 4.32Å; V54-F83 HydrophobicContact CG2-CE2 4.14Å; V54-F83 HydrophobicContact CG2-CZ 4.22Å; L71-F83 HydrophobicContact CB-CB 4.29Å; L71-F83 HydrophobicContact CB-CD1 3.61Å; L71-F83 HydrophobicContact CB-CD2 4.35Å; L71-F83 HydrophobicContact CB-CE1 3.94Å; L71-F83 HydrophobicContact CB-CG 3.82Å; L71-F83 HydrophobicContact CB-CZ 4.42Å; L71-F83 HydrophobicContact CD1-CB 3.78Å; L71-F83 HydrophobicContact CD1-CD2 4.09Å; L71-F83 HydrophobicContact CD1-CG 3.88Å; L71-F83 HydrophobicContact CG-CB 4.5Å; L71-F83 HydrophobicContact CG-CG 4.46Å; L71-F83 WeakPolarHBondContact O-CE1 3.48Å; A81-F83 HydrophobicContact CB-CE1 4.07Å; A81-F83 HydrophobicContact CB-CE2 3.66Å; A81-F83 HydrophobicContact CB-CZ 3.39Å; F83-A130 VanDerWaalsContact CA-O 3.29Å; F83-A130 WeakPolarHBondContact CA-O 3.47Å
84K89.1Confident82Confident71 Ų7166.1 Ų66.131%0.30939%0.394SS..EExtended strand (participates in β ladder)trans-85.3123.8168.3-176.5178.7178.7-178.20108.2N34 S86 A130 V132N34-K84 WeakPolarHBondContact O-CA 3.44Å; K84-S86 WeakPolarHBondContact CE-O 3.34Å; K84-S86 WeakPolarHBondContact CE-OG 3.43Å; K84-A130 PolarHBondContact N-O 3.49Å; K84-V132 HydrophobicContact CB-CG2 3.99Å
85I86.4Confident80.9Confident10 Ų1071.1 Ų71.15%0.05144%0.435CS..  trans-111.8-10.1178.363.2160.5000113.1V33 N34 V36 F56 L71 L88V33-I85 HydrophobicContact CB-CD1 3.93Å; V33-I85 HydrophobicContact CG1-CD1 3.6Å; V33-I85 HydrophobicContact CG1-CG1 4.03Å; N34-I85 PolarHBondContact O-N 2.99Å; V36-I85 HydrophobicContact CG2-CD1 3.61Å; V36-I85 HydrophobicContact CG2-CG1 4.1Å; V36-I85 HydrophobicContact CG2-CG2 4.33Å; F56-I85 HydrophobicContact CD1-CB 4.33Å; F56-I85 HydrophobicContact CD1-CG2 4.27Å; F56-I85 HydrophobicContact CD2-CD1 4.32Å; F56-I85 HydrophobicContact CD2-CG2 4.25Å; F56-I85 HydrophobicContact CE1-CB 4.14Å; F56-I85 HydrophobicContact CE1-CD1 4.23Å; F56-I85 HydrophobicContact CE2-CD1 3.57Å; F56-I85 HydrophobicContact CE2-CG2 4.5Å; F56-I85 HydrophobicContact CG-CG2 4.14Å; F56-I85 HydrophobicContact CZ-CB 4.27Å; F56-I85 HydrophobicContact CZ-CD1 3.52Å; L71-I85 HydrophobicContact CD1-CG2 4.08Å; L71-I85 HydrophobicContact CD2-CG2 4.3Å; I85-L88 HydrophobicContact CB-CD1 4.08Å; I85-L88 HydrophobicContact CG2-CD1 4.24Å; I85-L88 WeakPolarHBondContact O-CG 3.41Å
86S83.4Confident80.2Confident36 Ų3673.2 Ų73.225%0.25244%0.442SS..THydrogen-bonded Turntrans-74.4134172.155.30000112.3N34 K84 L88N34-S86 PolarHBondContact O-N 2.91Å; N34-S86 WeakPolarHBondContact OD1-CB 3.28Å; N34-S86 PolarHBondContact OD1-OG 3.26Å; K84-S86 WeakPolarHBondContact CE-O 3.34Å; K84-S86 WeakPolarHBondContact CE-OG 3.43Å; S86-L88 VanDerWaalsContact C-N 3.31Å
87G74.6Confident79.6Confident70 Ų7071.4 Ų71.472%0.72244%0.435SS*.THydrogen-bonded Turntrans78.311.5179.800000114.6K89G87-K89 PolarHBondContact O-N 3.31Å; G87-K89 VanDerWaalsContact O-N 3.16Å
88L74.7Confident79Confident20 Ų2064 Ų6411%0.10540%0.395CS..  trans-62114.6164.2-65.8179.2000108F56 F58 L71 I85 S86 V127 S129F56-L88 HydrophobicContact CD1-CD1 3.7Å; F56-L88 HydrophobicContact CE1-CD1 4.27Å; F58-L88 HydrophobicContact CE1-CB 4.28Å; L71-L88 HydrophobicContact CD2-CD1 3.94Å; I85-L88 HydrophobicContact CB-CD1 4.08Å; I85-L88 HydrophobicContact CG2-CD1 4.24Å; I85-L88 WeakPolarHBondContact O-CG 3.41Å; S86-L88 VanDerWaalsContact C-N 3.31Å; L88-V127 HydrophobicContact CD2-CG2 4.01Å; L88-S129 VanDerWaalsContact CD2-OG 3.29Å; L88-S129 WeakPolarHBondContact CD2-OG 3.09Å
89K65.4Low77.8Confident178 Ų17860.6 Ų60.677%0.77440%0.396SS*.  trans-78.3143.7174.7-65.8-176178.4-178.40108.2Q69 G87 G91Q69-K89 PolarHBondContact NE2-O 3.46Å; G87-K89 PolarHBondContact O-N 3.31Å; G87-K89 VanDerWaalsContact O-N 3.16Å; K89-G91 PolarHBondContact O-N 3.38Å
90A59.5Low76Confident47 Ų4766.6 Ų66.639%0.38842%0.424SS..  trans-64.882.9163.400000108.1F58 D60F58-A90 HydrophobicContact CE2-CB 4.02Å; F58-A90 HydrophobicContact CZ-CB 4.4Å; D60-A90 WeakPolarHBondContact OD1-CB 3.45Å
91G58.3Low73.9Confident42 Ų4272.2 Ų72.243%0.43345%0.446SS..  trans-80.4176.9163.100000110K89 G93K89-G91 PolarHBondContact O-N 3.38Å; G91-G93 PolarHBondContact O-N 3.36Å
92E53.6Low72Confident199 Ų19972.2 Ų72.293%0.9345%0.446SS*.SBendtrans-44.4114.4169.8-73.2-176.9151.400109G94E92-G94 PolarHBondContact O-N 2.85Å; E92-G94 VanDerWaalsContact O-N 3.09Å
93G58Low69.9Low46 Ų4672.9 Ų72.947%0.47446%0.459SS..PPolyproline II helixtrans-52.4121.4179.600000109.2G91G91-G93 PolarHBondContact O-N 3.36Å
94G64.3Low68.2Low36 Ų3673.5 Ų73.537%0.37146%0.464SS..PPolyproline II helixtrans-65.1150.717800000109.6W68 E92 H96W68-G94 PolarHBondContact O-N 3.4Å; E92-G94 PolarHBondContact O-N 2.85Å; E92-G94 VanDerWaalsContact O-N 3.09Å; G94-H96 PolarHBondContact O-CD2 3.1Å; G94-H96 PolarHBondContact O-N 3.21Å
95A72Confident66.9Low104 Ų10473 Ų7386%0.8647%0.469SS*.PPolyproline II helixtrans-53.7127169.400000109.2
96H83.1Confident65.9Low74 Ų7477.8 Ų77.834%0.34350%0.501SS..  trans-132.5148.4-176.663.988.5000111.4Y55 W68 G94 F98Y55-H96 HydrophobicContact CD1-CB 4.31Å; Y55-H96 HydrophobicContact CE1-CB 4.24Å; W68-H96 HydrophobicContact CB-CB 3.54Å; W68-H96 VanDerWaalsContact CB-CG 3.45Å; W68-H96 AromaticContact CD1-CD2 3.61Å; W68-H96 AromaticContact CD1-CE1 3.22Å; W68-H96 AromaticContact CD1-CG 3.62Å; W68-H96 AromaticContact CD1-ND1 3.37Å; W68-H96 AromaticContact CD1-NE2 3.36Å; W68-H96 HydrophobicContact CG-CB 3.98Å; W68-H96 AromaticContact CG-CD2 3.79Å; W68-H96 AromaticContact CG-CE1 3.94Å; W68-H96 AromaticContact CG-CG 3.56Å; W68-H96 AromaticContact CG-ND1 3.66Å; W68-H96 AromaticContact NE1-CE1 3.69Å; W68-H96 AromaticContact NE1-ND1 3.84Å; G94-H96 PolarHBondContact O-CD2 3.1Å; G94-H96 PolarHBondContact O-N 3.21Å; H96-F98 VanDerWaalsContact C-N 3.35Å; H96-F98 PolarHBondContact CE1-O 2.96Å; H96-F98 PolarHBondContact ND1-O 3.42Å
97P84.6Confident65.2Low36 Ų3679.5 Ų79.523%0.23451%0.513CS..SBendtrans-84.7-7.4-175.833.1-35.9000113.6K22 Y55 S114K22-P97 WeakPolarHBondContact CE-O 3.41Å; K22-P97 PolarHBondContact NZ-O 2.83Å; Y55-P97 HydrophobicContact CE2-CG 3.94Å; P97-S114 WeakPolarHBondContact CG-OG 3.21Å
98F80.6Confident65.7Low6 Ų677.3 Ų77.33%0.02649%0.486CS..SBendtrans-84.8108.9179.8-56.1-82.5000109.7V18 K22 V24 Y55 W68 H96V18-F98 HydrophobicContact CG2-CD1 4.23Å; K22-F98 HydrophobicContact CB-CD1 4.25Å; K22-F98 HydrophobicContact CB-CE1 3.84Å; K22-F98 HydrophobicContact CD-CD1 4.4Å; K22-F98 HydrophobicContact CG-CD1 4.47Å; K22-F98 HydrophobicContact CG-CE1 4.1Å; V24-F98 HydrophobicContact CG2-CD1 4.03Å; V24-F98 HydrophobicContact CG2-CE1 4.09Å; Y55-F98 HydrophobicContact CD2-CD2 4.46Å; Y55-F98 AromaticContact CD2-CE2 3.54Å; Y55-F98 HydrophobicContact CD2-CE2 3.54Å; Y55-F98 HydrophobicContact CD2-CZ 4.35Å; Y55-F98 HydrophobicContact CE2-CE2 4.18Å; Y55-F98 HydrophobicContact CG-CD2 4.49Å; Y55-F98 AromaticContact CG-CE2 3.88Å; Y55-F98 HydrophobicContact CG-CE2 3.88Å; W68-F98 HydrophobicContact CD2-CB 4.38Å; W68-F98 HydrophobicContact CD2-CD2 4.1Å; W68-F98 AromaticContact CE3-CD2 3.77Å; W68-F98 HydrophobicContact CE3-CD2 3.77Å; W68-F98 HydrophobicContact CE3-CE2 4.27Å; W68-F98 HydrophobicContact CE3-CG 4.41Å; W68-F98 HydrophobicContact CH2-CB 4.19Å; W68-F98 HydrophobicContact CH2-CD1 4.37Å; W68-F98 HydrophobicContact CH2-CD2 4.05Å; W68-F98 AromaticContact CH2-CG 3.93Å; W68-F98 HydrophobicContact CH2-CG 3.93Å; W68-F98 HydrophobicContact CZ2-CB 3.79Å; W68-F98 HydrophobicContact CZ2-CD2 4.37Å; W68-F98 HydrophobicContact CZ2-CG 4.06Å; W68-F98 AromaticContact CZ3-CD2 3.74Å; W68-F98 HydrophobicContact CZ3-CD2 3.74Å; W68-F98 HydrophobicContact CZ3-CE2 4.07Å; W68-F98 HydrophobicContact CZ3-CG 4.12Å; H96-F98 VanDerWaalsContact C-N 3.35Å; H96-F98 PolarHBondContact CE1-O 2.96Å; H96-F98 PolarHBondContact ND1-O 3.42Å
99G71Confident66.3Low57 Ų5776.4 Ų76.459%0.58848%0.481SS*.  trans-63.1-172.9-177.900000114.4M101G99-M101 PolarHBondContact O-N 3Å
100L59.8Low67.6Low182 Ų18268.7 Ų68.795%0.95345%0.447SS*.THydrogen-bonded Turntrans-59.7-2.7-180-70.5166.5000115.7A102L100-A102 VanDerWaalsContact C-N 3.28Å; L100-A102 PolarHBondContact O-N 3.17Å
101M52.3Low69.2Low181 Ų18166.5 Ų66.589%0.89243%0.429SS*.THydrogen-bonded Turntrans-80.8-0.1-175.1-76.3-145.7-96.800114.9G99 S103G99-M101 PolarHBondContact O-N 3Å; M101-S103 PolarHBondContact O-N 2.97Å
102A53.7Low71Confident14 Ų1464.5 Ų64.512%0.11641%0.408CS..  trans-75.576.9166.900000109.8W68 L100 V104W68-A102 HydrophobicContact CZ2-CB 3.84Å; L100-A102 VanDerWaalsContact C-N 3.28Å; L100-A102 PolarHBondContact O-N 3.17Å; A102-V104 VanDerWaalsContact C-N 3.26Å; A102-V104 PolarHBondContact O-N 2.99Å
103S50.3Low73.1Confident112 Ų11255 Ų5578%0.78336%0.364SS*.  trans-68.688.8169.666.40000108.7M101M101-S103 PolarHBondContact O-N 2.97Å
104V56.9Low74.9Confident23 Ų2352.9 Ų52.914%0.13934%0.342CS..  trans-85.3114172.3-93.40000108.7P66 A102 V108 Q110P66-V104 HydrophobicContact CB-CG2 3.6Å; P66-V104 HydrophobicContact CG-CG2 3.96Å; A102-V104 VanDerWaalsContact C-N 3.26Å; A102-V104 PolarHBondContact O-N 2.99Å; V104-V108 WeakPolarHBondContact CG1-O 3.37Å; V104-Q110 HydrophobicContact CG1-CG 3.84Å
105S63.1Low76.5Confident59 Ų5952.1 Ų52.141%0.41333%0.33SS..  trans-52.9142.6152.339.50000108.9S107 V108S105-S107 PolarHBondContact O-N 3.49Å; S105-V108 PolarHBondContact O-N 2.95Å; S105-V108 WeakPolarHBondContact OG-CG2 3.49Å
106P64.5Low77.6Confident111 Ų11148.2 Ų48.272%0.72129%0.294SS*.THydrogen-bonded Turntrans-57-15.2-174.7-20.727.2000115.2P59P59-P106 VanDerWaalsContact CG-O 3.31Å; P59-P106 WeakPolarHBondContact CG-O 3.48Å
107S70.1Confident78.3Confident72 Ų7246.1 Ų46.150%0.50329%0.29SS..THydrogen-bonded Turntrans-98.81.7-178.856.40000114.7D29 S105D29-S107 PolarHBondContact N-O 3.19Å; S105-S107 PolarHBondContact O-N 3.49Å
108V83.4Confident78.7Confident25 Ų2547.8 Ų47.815%0.15230%0.296CS..EExtended strand (participates in β ladder)trans-122.5123.9-174.4179.70000109.7N26 V104 S105N26-V108 HydrophobicContact CB-CG1 4.05Å; V104-V108 WeakPolarHBondContact CG1-O 3.37Å; S105-V108 PolarHBondContact O-N 2.95Å; S105-V108 WeakPolarHBondContact OG-CG2 3.49Å
109A88.8Confident79.2Confident0 Ų053.7 Ų53.70%033%0.328CS..EExtended strand (participates in β ladder)trans-94166.2166.900000110.4L27 F30 F56 S57L27-A109 HydrophobicContact CB-CB 4.39Å; L27-A109 PolarHBondContact N-O 3.25Å; L27-A109 PolarHBondContact O-N 3.36Å; F30-A109 HydrophobicContact CB-CB 3.36Å; F30-A109 HydrophobicContact CD1-CB 3.76Å; F30-A109 HydrophobicContact CD2-CB 3.92Å; F30-A109 HydrophobicContact CG-CB 3.4Å; F56-A109 HydrophobicContact CE2-CB 3.62Å; F56-A109 HydrophobicContact CZ-CB 3.57Å; S57-A109 CarbonylContact O-C 3.5Å; S57-A109 VanDerWaalsContact O-CA 3.28Å; S57-A109 WeakPolarHBondContact O-CA 3.41Å; S57-A109 WeakPolarHBondContact O-CB 2.92Å
110Q91.5Very high80.1Confident17 Ų1756.1 Ų56.18%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-130.8145.7179.4-64.9-174.3-37.300112.2V24 F25 N26 F56 S57 W68 V104V24-Q110 HydrophobicContact CG1-CB 3.9Å; V24-Q110 HydrophobicContact CG1-CG 4.02Å; F25-Q110 CarbonylContact O-C 2.96Å; F25-Q110 VanDerWaalsContact O-CA 3.27Å; F25-Q110 WeakPolarHBondContact O-CA 3.35Å; N26-Q110 WeakPolarHBondContact OD1-CG 3.41Å; N26-Q110 PolarHBondContact OD1-NE2 2.86Å; F56-Q110 CarbonylContact C-O 3.5Å; F56-Q110 WeakPolarHBondContact CA-O 3.47Å; F56-Q110 VanDerWaalsContact CD2-O 3.3Å; F56-Q110 WeakPolarHBondContact CD2-O 3.39Å; S57-Q110 PolarHBondContact N-O 3.03Å; S57-Q110 PolarHBondContact O-N 3.48Å; W68-Q110 HydrophobicContact CH2-CB 3.99Å; V104-Q110 HydrophobicContact CG1-CG 3.84Å
111V94.4Very high81.5Confident0 Ų047.7 Ų47.70%028%0.28CS..EExtended strand (participates in β ladder)trans-112.4118168176.40000107.6V24 F25 L27 V36 V38 V54 Y55 F56V24-V111 CarbonylContact C-O 3.55Å; V24-V111 WeakPolarHBondContact CA-O 3.29Å; F25-V111 HydrophobicContact CB-CB 4.36Å; F25-V111 PolarHBondContact N-O 3.35Å; F25-V111 PolarHBondContact O-N 2.94Å; L27-V111 HydrophobicContact CD1-CG2 3.52Å; L27-V111 HydrophobicContact CG-CG2 4.13Å; V36-V111 HydrophobicContact CG1-CG2 4.05Å; V38-V111 HydrophobicContact CG2-CG1 3.73Å; V54-V111 HydrophobicContact CG1-CG1 4.09Å; Y55-V111 CarbonylContact O-C 3.57Å; Y55-V111 WeakPolarHBondContact O-CA 3.28Å; F56-V111 HydrophobicContact CD2-CG2 3.96Å; F56-V111 HydrophobicContact CE2-CG2 4.49Å
112G94.9Very high83Confident0 Ų043.3 Ų43.30%027%0.272CS..EExtended strand (participates in β ladder)trans-103.6139.3179.600000111.3F23 V54 Y55F23-G112 CarbonylContact O-C 3.57Å; F23-G112 VanDerWaalsContact O-CA 3.31Å; F23-G112 WeakPolarHBondContact O-CA 3.25Å; V54-G112 CarbonylContact C-O 3.58Å; V54-G112 WeakPolarHBondContact CA-O 3.39Å; Y55-G112 PolarHBondContact N-O 3.39Å; Y55-G112 PolarHBondContact O-N 2.87Å
113V96.8Very high84.6Confident0 Ų050.4 Ų50.40%030%0.303CS..EExtended strand (participates in β ladder)trans-119.3118.6167.8-174.50000108.3F2 K22 F23 V38 A53 V54 I74F2-V113 HydrophobicContact CD1-CG1 4.36Å; F2-V113 HydrophobicContact CD2-CB 4.28Å; F2-V113 HydrophobicContact CD2-CG1 4.18Å; F2-V113 HydrophobicContact CE1-CG1 4.1Å; F2-V113 HydrophobicContact CE2-CB 4.36Å; F2-V113 HydrophobicContact CE2-CG1 3.9Å; F2-V113 HydrophobicContact CG-CG1 4.4Å; F2-V113 HydrophobicContact CZ-CG1 3.86Å; K22-V113 WeakPolarHBondContact CA-O 3.44Å; F23-V113 PolarHBondContact N-O 2.88Å; F23-V113 PolarHBondContact O-N 3.11Å; V38-V113 HydrophobicContact CG1-CG2 3.88Å; A53-V113 WeakPolarHBondContact O-CA 3.21Å; V54-V113 HydrophobicContact CG2-CG2 4.49Å; I74-V113 HydrophobicContact CD1-CG1 4.44Å
114S96.9Very high86.2Confident2 Ų247.4 Ų47.41%0.01428%0.277CS..EExtended strand (participates in β ladder)trans-107.9123.9177.7-178.10000109G52 A53 P97 E116G52-S114 CarbonylContact C-O 3.57Å; G52-S114 VanDerWaalsContact CA-O 3.31Å; G52-S114 WeakPolarHBondContact CA-O 3.5Å; A53-S114 PolarHBondContact N-O 2.92Å; A53-S114 PolarHBondContact O-N 2.94Å; P97-S114 WeakPolarHBondContact CG-OG 3.21Å; S114-E116 WeakPolarHBondContact CB-OE1 3.18Å; S114-E116 PolarHBondContact OG-OE1 3.25Å
115V97.2Very high87.5Confident20 Ų2053.4 Ų53.412%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-83.7114.3178.8-174.90000109F2 D21 F23 F46 M50 G51F2-V115 HydrophobicContact CZ-CG2 4.43Å; D21-V115 HydrophobicContact CB-CB 4.13Å; D21-V115 WeakPolarHBondContact O-CG2 3.31Å; D21-V115 PolarHBondContact O-N 3.21Å; F23-V115 HydrophobicContact CE2-CG2 4.12Å; F46-V115 HydrophobicContact CD1-CG1 3.93Å; F46-V115 HydrophobicContact CD1-CG2 4.44Å; F46-V115 HydrophobicContact CE1-CG1 4.18Å; F46-V115 HydrophobicContact CE1-CG2 4.03Å; M50-V115 HydrophobicContact CB-CG1 4.06Å; M50-V115 HydrophobicContact CG-CG1 4.47Å; G51-V115 CarbonylContact O-C 3.59Å; G51-V115 WeakPolarHBondContact O-CA 3.25Å
116E96.2Very high88.5Confident21 Ų2152.5 Ų52.510%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-136160.1-171.3-65.9176.4-146.800111.3M50 G51 S114 L121 Q124M50-E116 CarbonylContact C-O 3.52Å; M50-E116 WeakPolarHBondContact CA-O 3.04Å; M50-E116 VanDerWaalsContact SD-C 3.58Å; G51-E116 PolarHBondContact N-O 2.79Å; G51-E116 PolarHBondContact O-N 2.73Å; S114-E116 WeakPolarHBondContact CB-OE1 3.18Å; S114-E116 PolarHBondContact OG-OE1 3.25Å; E116-L121 HydrophobicContact CB-CD2 3.76Å; E116-L121 HydrophobicContact CB-CG 4.24Å; E116-Q124 PolarHBondContact OE2-NE2 2.91Å
117A96.6Very high89.3Confident31 Ų3149.2 Ų49.226%0.25628%0.277SS..EExtended strand (participates in β ladder)trans-65.5138.317800000110.5G49 M50 D119 Q120 L121G49-A117 WeakPolarHBondContact O-CA 3.36Å; M50-A117 HydrophobicContact SD-CB 4.3Å; A117-D119 PolarHBondContact O-N 3.24Å; A117-D119 VanDerWaalsContact O-N 3.15Å; A117-Q120 HydrophobicContact CB-CG 4.24Å; A117-Q120 WeakPolarHBondContact O-CA 3.3Å; A117-Q120 WeakPolarHBondContact O-CB 3.14Å; A117-Q120 PolarHBondContact O-N 2.68Å; A117-L121 PolarHBondContact O-N 2.93Å
118L93.1Very high89.2Confident70 Ų7051.6 Ų51.637%0.36629%0.294SS..Hα-helixtrans-56.2-35.2-179.4-68.8173.4000112.3G49 T75 Q120 L121 A122G49-L118 WeakPolarHBondContact O-CG 3.28Å; G49-L118 PolarHBondContact O-N 3.02Å; T75-L118 HydrophobicContact CG2-CD2 3.72Å; L118-Q120 VanDerWaalsContact C-N 3.31Å; L118-Q120 PolarHBondContact O-N 3.16Å; L118-L121 HydrophobicContact CD2-CD1 4.35Å; L118-L121 PolarHBondContact O-N 3.17Å; L118-A122 PolarHBondContact O-N 3.34Å
119D91.1Very high88.4Confident131 Ų13153.6 Ų53.670%0.70131%0.309SS*.Hα-helixtrans-64.3-34.2176.1-63.1-33.7000112.6A117A117-D119 PolarHBondContact O-N 3.24Å; A117-D119 VanDerWaalsContact O-N 3.15Å
120Q90.8Very high87.2Confident107 Ų10753.6 Ų53.650%0.531%0.309SS..Hα-helixtrans-73.9-42.2175-68.9-179.9-22.400111A117 L118 A122 Q123 Q124A117-Q120 HydrophobicContact CB-CG 4.24Å; A117-Q120 WeakPolarHBondContact O-CA 3.3Å; A117-Q120 WeakPolarHBondContact O-CB 3.14Å; A117-Q120 PolarHBondContact O-N 2.68Å; L118-Q120 VanDerWaalsContact C-N 3.31Å; L118-Q120 PolarHBondContact O-N 3.16Å; Q120-A122 VanDerWaalsContact C-N 3.26Å; Q120-A122 PolarHBondContact O-N 3.11Å; Q120-Q123 PolarHBondContact O-N 3.3Å; Q120-Q123 VanDerWaalsContact O-N 3.09Å; Q120-Q124 PolarHBondContact O-N 3.09Å
121L89.8Confident86Confident6 Ų655.6 Ų55.63%0.03133%0.328CS..Hα-helixtrans-59.6-39176.9-62.4-173.1000111.7A53 F73 E116 A117 L118 Q123 Q124A53-L121 HydrophobicContact CB-CD2 3.64Å; F73-L121 HydrophobicContact CD1-CB 4.05Å; F73-L121 HydrophobicContact CD1-CD1 4.23Å; F73-L121 HydrophobicContact CD1-CD2 3.77Å; F73-L121 HydrophobicContact CD1-CG 4.24Å; F73-L121 HydrophobicContact CE1-CB 4.14Å; F73-L121 HydrophobicContact CE1-CD2 3.92Å; F73-L121 WeakPolarHBondContact CZ-O 3.35Å; E116-L121 HydrophobicContact CB-CD2 3.76Å; E116-L121 HydrophobicContact CB-CG 4.24Å; A117-L121 PolarHBondContact O-N 2.93Å; L118-L121 HydrophobicContact CD2-CD1 4.35Å; L118-L121 PolarHBondContact O-N 3.17Å; L121-Q123 PolarHBondContact O-N 3.41Å; L121-Q124 PolarHBondContact O-N 2.97Å; L121-Q124 VanDerWaalsContact O-N 3.1Å
122A83.1Confident84.3Confident88 Ų8858.1 Ų58.173%0.72734%0.344SS*.THydrogen-bonded Turntrans-62.8-21.9178.200000113.8L118 Q120L118-A122 PolarHBondContact O-N 3.34Å; Q120-A122 VanDerWaalsContact C-N 3.26Å; Q120-A122 PolarHBondContact O-N 3.11Å
123Q86.4Confident82.5Confident163 Ų16360.4 Ų60.476%0.76236%0.36SS*.THydrogen-bonded Turntrans-91.9-11.8178.2-64.21775.800112.9Q120 L121Q120-Q123 PolarHBondContact O-N 3.3Å; Q120-Q123 VanDerWaalsContact O-N 3.09Å; L121-Q123 PolarHBondContact O-N 3.41Å
124Q85.3Confident80.5Confident50 Ų5065.5 Ų65.523%0.23439%0.391CS..  trans-86.3144.6-179.6-68.2179.124.500111.3Y55 L70 F73 E116 Q120 L121 P126Y55-Q124 PolarHBondContact OH-OE1 2.88Å; L70-Q124 HydrophobicContact CD2-CB 3.63Å; L70-Q124 HydrophobicContact CD2-CG 4.46Å; F73-Q124 HydrophobicContact CE1-CB 4.04Å; F73-Q124 HydrophobicContact CZ-CB 3.8Å; E116-Q124 PolarHBondContact OE2-NE2 2.91Å; Q120-Q124 PolarHBondContact O-N 3.09Å; L121-Q124 PolarHBondContact O-N 2.97Å; L121-Q124 VanDerWaalsContact O-N 3.1Å; Q124-P126 WeakPolarHBondContact O-CD 3.39Å
125I84.4Confident78.7Confident149 Ų14968.8 Ų68.876%0.76441%0.411SS*.  trans-112.2106.5-179.8-57.4174.2000108
126P84.1Confident77.3Confident39 Ų3972 Ų7225%0.25343%0.427SS..  trans-63.3154.8172.8-2133.5000111.6L70 F73 Q124 S128L70-P126 HydrophobicContact CD2-CB 4.45Å; L70-P126 HydrophobicContact CD2-CG 4.2Å; L70-P126 HydrophobicContact CG-CB 4.3Å; L70-P126 HydrophobicContact CG-CG 4.41Å; L70-P126 WeakPolarHBondContact O-CA 3.37Å; F73-P126 HydrophobicContact CD2-CG 4.26Å; F73-P126 HydrophobicContact CE2-CG 3.44Å; F73-P126 VanDerWaalsContact CE2-CG 3.44Å; F73-P126 HydrophobicContact CZ-CG 3.66Å; Q124-P126 WeakPolarHBondContact O-CD 3.39Å; P126-S128 PolarHBondContact O-N 2.8Å
127V81.4Confident76Confident42 Ų4274.8 Ų74.826%0.25545%0.446SS..  trans-65.5127.5176.1-59.80000110.2Q69 L70 L88 S129 A130Q69-V127 HydrophobicContact CB-CG1 4.15Å; L70-V127 WeakPolarHBondContact O-CG2 3.38Å; L70-V127 PolarHBondContact O-N 2.89Å; L88-V127 HydrophobicContact CD2-CG2 4.01Å; V127-S129 PolarHBondContact O-N 2.83Å; V127-A130 HydrophobicContact CG2-CB 3.46Å; V127-A130 VanDerWaalsContact CG2-CB 3.46Å; V127-A130 WeakPolarHBondContact O-CB 3.38Å; V127-A130 PolarHBondContact O-N 2.78Å
128S67Low74.9Confident122 Ų12275.9 Ų75.985%0.85345%0.445SS*.THydrogen-bonded Turntrans-59.7-22.3-171.6-43.30000114P126P126-S128 PolarHBondContact O-N 2.8Å
129S66.6Low74.2Confident67 Ų6774 Ų7447%0.46943%0.434SS..THydrogen-bonded Turntrans-83.4-13.2177.849.90000114.6L88 V127L88-S129 VanDerWaalsContact CD2-OG 3.29Å; L88-S129 WeakPolarHBondContact CD2-OG 3.09Å; V127-S129 PolarHBondContact O-N 2.83Å
130A63.8Low73.7Confident0 Ų073.4 Ų73.40%043%0.428CS..THydrogen-bonded Turntrans-82.3-31.8-176.900000113.2L71 F83 K84 V127 V132L71-A130 HydrophobicContact CB-CB 4.02Å; L71-A130 HydrophobicContact CD2-CB 3.5Å; L71-A130 HydrophobicContact CG-CB 4.38Å; F83-A130 VanDerWaalsContact CA-O 3.29Å; F83-A130 WeakPolarHBondContact CA-O 3.47Å; K84-A130 PolarHBondContact N-O 3.49Å; V127-A130 HydrophobicContact CG2-CB 3.46Å; V127-A130 VanDerWaalsContact CG2-CB 3.46Å; V127-A130 WeakPolarHBondContact O-CB 3.38Å; V127-A130 PolarHBondContact O-N 2.78Å; A130-V132 PolarHBondContact O-N 2.94Å
131A65.3Low73.4Confident59 Ų5974.6 Ų74.649%0.48843%0.431SS..BIsolated β-bridgetrans-68.9121.8176.100000110S133A131-S133 VanDerWaalsContact C-N 3.28Å; A131-S133 PolarHBondContact O-N 2.81Å
132V59.1Low73.1Confident54 Ų5474.5 Ų74.533%0.32743%0.431SS..  trans-76.782.6175-171.20000109.3I82 K84 A130 T134I82-V132 HydrophobicContact CB-CG2 4.46Å; I82-V132 HydrophobicContact CG2-CG2 4.01Å; K84-V132 HydrophobicContact CB-CG2 3.99Å; A130-V132 PolarHBondContact O-N 2.94Å; V132-T134 HydrophobicContact CG1-CG2 4.34Å; V132-T134 PolarHBondContact O-N 3.23Å
133S57Low73.3Confident48 Ų4874.7 Ų74.734%0.33642%0.417SS..  trans-83.998.9163-65.30000108.3A131 V135 D136 T137A131-S133 VanDerWaalsContact C-N 3.28Å; A131-S133 PolarHBondContact O-N 2.81Å; S133-V135 PolarHBondContact O-N 2.94Å; S133-D136 WeakPolarHBondContact CB-OD2 3.44Å; S133-D136 PolarHBondContact O-N 3.32Å; S133-D136 VanDerWaalsContact O-N 3.09Å; S133-D136 PolarHBondContact OG-OD2 3.33Å; S133-D136 VanDerWaalsContact OG-OD2 3.11Å; S133-T137 PolarHBondContact O-N 2.95Å
134T55.9Low73.4Confident107 Ų10774.4 Ų74.466%0.65641%0.413SS*.Hα-helixtrans-57.3-30172.1530000111.5V132 F138V132-T134 HydrophobicContact CG1-CG2 4.34Å; V132-T134 PolarHBondContact O-N 3.23Å; T134-F138 VanDerWaalsContact O-CB 3.24Å; T134-F138 WeakPolarHBondContact O-CB 3.3Å; T134-F138 PolarHBondContact O-N 2.78Å; T134-F138 VanDerWaalsContact O-N 3.1Å
135V58.5Low73.7Confident71 Ų7176.1 Ų76.143%0.4342%0.422SS..Hα-helixtrans-63.2-45.6174.2-177.80000111.4S133 F138 M139 P192S133-V135 PolarHBondContact O-N 2.94Å; V135-F138 PolarHBondContact O-N 3.16Å; V135-M139 HydrophobicContact CG1-CG 4.25Å; V135-M139 WeakPolarHBondContact O-CB 3.49Å; V135-M139 WeakPolarHBondContact O-CG 3.29Å; V135-M139 PolarHBondContact O-N 2.99Å; V135-P192 HydrophobicContact CG1-CB 4.22Å; V135-P192 HydrophobicContact CG1-CG 4.04Å
136D67.3Low73.9Confident88 Ų8869 Ų6947%0.47139%0.386SS..Hα-helixtrans-68.9-40.7-176.8-68.5-32000112.1S133 F138 M139 Q140S133-D136 WeakPolarHBondContact CB-OD2 3.44Å; S133-D136 PolarHBondContact O-N 3.32Å; S133-D136 VanDerWaalsContact O-N 3.09Å; S133-D136 PolarHBondContact OG-OD2 3.33Å; S133-D136 VanDerWaalsContact OG-OD2 3.11Å; D136-F138 VanDerWaalsContact C-N 3.34Å; D136-M139 PolarHBondContact O-N 2.78Å; D136-Q140 WeakPolarHBondContact O-CB 3.49Å; D136-Q140 VanDerWaalsContact O-CG 3.3Å; D136-Q140 WeakPolarHBondContact O-CG 3.27Å; D136-Q140 PolarHBondContact O-N 2.86Å
137T68.9Low74.3Confident79 Ų7969.9 Ų69.949%0.48539%0.388SS..Hα-helixtrans-66.1-40.3176.7-560000111S133 Q140 F141S133-T137 PolarHBondContact O-N 2.95Å; T137-Q140 PolarHBondContact O-N 3.33Å; T137-F141 WeakPolarHBondContact O-CB 3.47Å; T137-F141 PolarHBondContact O-N 3.31Å
138F73.2Confident74.9Confident53 Ų5371.7 Ų71.723%0.23240%0.403CS..Hα-helixtrans-66.1-42.4176.9-179.8-93.9000112.1T134 V135 D136 F141 T142 P192 W195T134-F138 VanDerWaalsContact O-CB 3.24Å; T134-F138 WeakPolarHBondContact O-CB 3.3Å; T134-F138 PolarHBondContact O-N 2.78Å; T134-F138 VanDerWaalsContact O-N 3.1Å; V135-F138 PolarHBondContact O-N 3.16Å; D136-F138 VanDerWaalsContact C-N 3.34Å; F138-F141 PolarHBondContact O-N 3.16Å; F138-T142 VanDerWaalsContact CE1-OG1 3.25Å; F138-T142 WeakPolarHBondContact CE1-OG1 3.42Å; F138-T142 HydrophobicContact CZ-CG2 4.46Å; F138-T142 WeakPolarHBondContact CZ-OG1 3.25Å; F138-T142 WeakPolarHBondContact O-CB 3.38Å; F138-T142 PolarHBondContact O-N 3.31Å; F138-T142 PolarHBondContact O-OG1 2.82Å; F138-P192 WeakPolarHBondContact CE1-O 3.39Å; F138-W195 HydrophobicContact CD2-CZ2 4.45Å; F138-W195 AromaticContact CE1-CE2 3.75Å; F138-W195 AromaticContact CE1-CZ2 3.62Å; F138-W195 HydrophobicContact CE1-CZ2 3.62Å; F138-W195 AromaticContact CE1-NE1 3.36Å; F138-W195 AromaticContact CE2-CH2 3.98Å; F138-W195 HydrophobicContact CE2-CH2 3.98Å; F138-W195 AromaticContact CE2-CZ2 3.39Å; F138-W195 HydrophobicContact CE2-CZ2 3.39Å; F138-W195 AromaticContact CZ-CE2 3.29Å; F138-W195 AromaticContact CZ-CH2 3.9Å; F138-W195 HydrophobicContact CZ-CH2 3.9Å; F138-W195 AromaticContact CZ-CZ2 2.92Å; F138-W195 HydrophobicContact CZ-CZ2 2.92Å; F138-W195 AromaticContact CZ-NE1 3.36Å
139M78.4Confident76.1Confident30 Ų3070 Ų7015%0.14838%0.384CS..Hα-helixtrans-60.8-47.3175.2-76.1-67.6-72.700111.4V135 D136 F141 T142 Q143 M188 P192V135-M139 HydrophobicContact CG1-CG 4.25Å; V135-M139 WeakPolarHBondContact O-CB 3.49Å; V135-M139 WeakPolarHBondContact O-CG 3.29Å; V135-M139 PolarHBondContact O-N 2.99Å; D136-M139 PolarHBondContact O-N 2.78Å; M139-F141 PolarHBondContact O-N 2.78Å; M139-T142 PolarHBondContact O-N 3.39Å; M139-Q143 WeakPolarHBondContact O-CB 3.28Å; M139-Q143 WeakPolarHBondContact O-CG 3.27Å; M139-Q143 PolarHBondContact O-N 2.93Å; M139-M188 HydrophobicContact CE-CG 3.75Å; M139-M188 HydrophobicContact CE-SD 3.9Å; M139-M188 HydrophobicContact SD-CG 3.48Å; M139-M188 WeakPolarHBondContact SD-CG 3.1Å; M139-M188 HydrophobicContact SD-SD 3.76Å; M139-P192 HydrophobicContact CE-CG 4.43Å; M139-P192 HydrophobicContact CG-CB 4.11Å; M139-P192 HydrophobicContact CG-CG 4.19Å; M139-P192 HydrophobicContact SD-CB 3.5Å; M139-P192 WeakPolarHBondContact SD-CB 3.48Å; M139-P192 HydrophobicContact SD-CG 3.62Å
140Q81.2Confident77.3Confident120 Ų12069.6 Ų69.656%0.56137%0.372SS*.Hα-helixtrans-60.9-44.9177-74.6178.714.100112.3D136 T137 K144D136-Q140 WeakPolarHBondContact O-CB 3.49Å; D136-Q140 VanDerWaalsContact O-CG 3.3Å; D136-Q140 WeakPolarHBondContact O-CG 3.27Å; D136-Q140 PolarHBondContact O-N 2.86Å; T137-Q140 PolarHBondContact O-N 3.33Å; Q140-K144 WeakPolarHBondContact O-CB 3.43Å; Q140-K144 WeakPolarHBondContact O-CG 3.25Å; Q140-K144 PolarHBondContact O-N 2.94Å
141F83.9Confident78.8Confident131 Ų13174.7 Ų74.758%0.57540%0.4SS*.Hα-helixtrans-58.8-48.9176.1170.2-99000111.1T137 F138 M139 K144 M145T137-F141 WeakPolarHBondContact O-CB 3.47Å; T137-F141 PolarHBondContact O-N 3.31Å; F138-F141 PolarHBondContact O-N 3.16Å; M139-F141 PolarHBondContact O-N 2.78Å; F141-K144 PolarHBondContact O-N 3Å; F141-M145 HydrophobicContact CE1-SD 4.34Å; F141-M145 HydrophobicContact CZ-SD 4.49Å; F141-M145 WeakPolarHBondContact O-CB 3.35Å; F141-M145 PolarHBondContact O-N 2.91Å
142T84.5Confident80.2Confident5 Ų578.1 Ų78.13%0.03140%0.404CS..Hα-helixtrans-70.6-36.5-174.3-40.80000111.6F138 M139 M145 L146 F184 M188F138-T142 VanDerWaalsContact CE1-OG1 3.25Å; F138-T142 WeakPolarHBondContact CE1-OG1 3.42Å; F138-T142 HydrophobicContact CZ-CG2 4.46Å; F138-T142 WeakPolarHBondContact CZ-OG1 3.25Å; F138-T142 WeakPolarHBondContact O-CB 3.38Å; F138-T142 PolarHBondContact O-N 3.31Å; F138-T142 PolarHBondContact O-OG1 2.82Å; M139-T142 PolarHBondContact O-N 3.39Å; T142-M145 HydrophobicContact CG2-CE 4.26Å; T142-M145 PolarHBondContact O-N 2.83Å; T142-L146 VanDerWaalsContact O-CG 3.25Å; T142-L146 WeakPolarHBondContact O-CG 3.36Å; T142-L146 PolarHBondContact O-N 2.89Å; T142-F184 HydrophobicContact CG2-CE1 3.99Å; T142-F184 HydrophobicContact CG2-CZ 4.39Å; T142-M188 HydrophobicContact CG2-CE 3.16Å; T142-M188 HydrophobicContact CG2-SD 4.42Å
143Q86.3Confident81.8Confident92 Ų9276.9 Ų76.943%0.4340%0.399SS..Hα-helixtrans-59.4-52.2170.6-76.5176-8.100111.4M139 M145 L146 D147 M188M139-Q143 WeakPolarHBondContact O-CB 3.28Å; M139-Q143 WeakPolarHBondContact O-CG 3.27Å; M139-Q143 PolarHBondContact O-N 2.93Å; Q143-M145 VanDerWaalsContact C-N 3.27Å; Q143-M145 PolarHBondContact O-N 2.94Å; Q143-L146 PolarHBondContact O-N 2.77Å; Q143-L146 VanDerWaalsContact O-N 3.13Å; Q143-D147 VanDerWaalsContact O-CG 3.28Å; Q143-D147 PolarHBondContact O-N 3.01Å; Q143-M188 HydrophobicContact CG-SD 3.98Å
144K89.2Confident83.4Confident156 Ų15676.7 Ų76.768%0.67840%0.398SS*.Hα-helixtrans-59.9-37178.8-74.8-168.9174.6-162.20113Q140 F141 S148Q140-K144 WeakPolarHBondContact O-CB 3.43Å; Q140-K144 WeakPolarHBondContact O-CG 3.25Å; Q140-K144 PolarHBondContact O-N 2.94Å; F141-K144 PolarHBondContact O-N 3Å; K144-S148 VanDerWaalsContact O-CB 3.28Å; K144-S148 WeakPolarHBondContact O-CB 3.45Å; K144-S148 PolarHBondContact O-N 2.84Å
145M91.4Very high85.3Confident86 Ų8675.7 Ų75.742%0.42440%0.395SS..Hα-helixtrans-64.3-44.8176.1-173.8-167.777.100111.7F141 T142 Q143 S148 L149F141-M145 HydrophobicContact CE1-SD 4.34Å; F141-M145 HydrophobicContact CZ-SD 4.49Å; F141-M145 WeakPolarHBondContact O-CB 3.35Å; F141-M145 PolarHBondContact O-N 2.91Å; T142-M145 HydrophobicContact CG2-CE 4.26Å; T142-M145 PolarHBondContact O-N 2.83Å; Q143-M145 VanDerWaalsContact C-N 3.27Å; Q143-M145 PolarHBondContact O-N 2.94Å; M145-S148 PolarHBondContact O-N 2.85Å; M145-L149 PolarHBondContact O-N 2.79Å
146L89.9Confident86.9Confident0 Ų078.5 Ų78.50%040%0.402CS..Hα-helixtrans-63.2-46177.7-70.1167.1000111.7T142 Q143 S148 L149 Y150 W180 Y181 F184 Q185 M188T142-L146 VanDerWaalsContact O-CG 3.25Å; T142-L146 WeakPolarHBondContact O-CG 3.36Å; T142-L146 PolarHBondContact O-N 2.89Å; Q143-L146 PolarHBondContact O-N 2.77Å; Q143-L146 VanDerWaalsContact O-N 3.13Å; L146-S148 VanDerWaalsContact C-N 3.32Å; L146-S148 PolarHBondContact O-N 2.81Å; L146-L149 PolarHBondContact O-N 2.96Å; L146-Y150 WeakPolarHBondContact O-CB 3.45Å; L146-Y150 PolarHBondContact O-N 3.41Å; L146-W180 HydrophobicContact CD2-CH2 3.48Å; L146-W180 VanDerWaalsContact CD2-CH2 3.48Å; L146-W180 HydrophobicContact CD2-CZ2 4.33Å; L146-W180 HydrophobicContact CD2-CZ3 3.83Å; L146-Y181 HydrophobicContact CB-CD2 4.08Å; L146-Y181 HydrophobicContact CB-CE2 3.94Å; L146-F184 HydrophobicContact CD1-CD1 3.3Å; L146-F184 HydrophobicContact CD1-CE1 3.72Å; L146-F184 HydrophobicContact CD1-CG 4.14Å; L146-F184 HydrophobicContact CD2-CB 4.16Å; L146-F184 HydrophobicContact CD2-CD1 3.58Å; L146-F184 HydrophobicContact CD2-CD2 4.16Å; L146-F184 HydrophobicContact CD2-CE1 3.92Å; L146-F184 HydrophobicContact CD2-CE2 4.47Å; L146-F184 HydrophobicContact CD2-CG 3.7Å; L146-F184 HydrophobicContact CD2-CZ 4.36Å; L146-F184 HydrophobicContact CG-CD1 3.99Å; L146-F184 HydrophobicContact CG-CE1 4.21Å; L146-Q185 HydrophobicContact CD1-CG 4.2Å; L146-M188 HydrophobicContact CD1-CE 3.44Å; L146-M188 VanDerWaalsContact CD1-CE 3.44Å
147D90.7Very high88Confident58 Ų5877 Ų7731%0.3140%0.402SS..Hα-helixtrans-61.6-44.5178.4-64.1-8.2000110.3Q143 L149 Y150 N151 Y181Q143-D147 VanDerWaalsContact O-CG 3.28Å; Q143-D147 PolarHBondContact O-N 3.01Å; D147-L149 PolarHBondContact O-N 3.16Å; D147-Y150 PolarHBondContact O-N 2.9Å; D147-N151 VanDerWaalsContact O-CB 3.25Å; D147-N151 WeakPolarHBondContact O-CB 3.47Å; D147-N151 PolarHBondContact O-N 3.34Å; D147-N151 PolarHBondContact O-ND2 3.19Å; D147-N151 VanDerWaalsContact O-ND2 3.12Å; D147-Y181 PolarHBondContact OD1-OH 3.14Å
148S94.6Very high89.1Confident80 Ų8078 Ų7856%0.55940%0.404SS*.Hα-helixtrans-59.7-45.3177-173.80000111.9K144 M145 L146 F152K144-S148 VanDerWaalsContact O-CB 3.28Å; K144-S148 WeakPolarHBondContact O-CB 3.45Å; K144-S148 PolarHBondContact O-N 2.84Å; M145-S148 PolarHBondContact O-N 2.85Å; L146-S148 VanDerWaalsContact C-N 3.32Å; L146-S148 PolarHBondContact O-N 2.81Å; S148-F152 VanDerWaalsContact O-CB 3.29Å; S148-F152 WeakPolarHBondContact O-CB 3.48Å; S148-F152 PolarHBondContact O-N 3.4Å
149L92.9Very high89.9Confident85 Ų8578.3 Ų78.345%0.44541%0.412SS..Hα-helixtrans-66.2-46.2179.4177.763.7000111.5M145 L146 D147 F152 A153 W180M145-L149 PolarHBondContact O-N 2.79Å; L146-L149 PolarHBondContact O-N 2.96Å; D147-L149 PolarHBondContact O-N 3.16Å; L149-F152 PolarHBondContact O-N 2.89Å; L149-A153 WeakPolarHBondContact O-CB 3.31Å; L149-A153 PolarHBondContact O-N 2.92Å; L149-W180 HydrophobicContact CD2-CH2 3.67Å; L149-W180 HydrophobicContact CD2-CZ3 3.73Å
150Y92.3Very high90.4Very high60 Ų6085.3 Ų85.324%0.23544%0.444CS..Hα-helixtrans-63.2-44.8-179.9179.6-100.2000111.4L146 D147 A153 S154 I177 L178 Y181L146-Y150 WeakPolarHBondContact O-CB 3.45Å; L146-Y150 PolarHBondContact O-N 3.41Å; D147-Y150 PolarHBondContact O-N 2.9Å; Y150-A153 PolarHBondContact O-N 3.07Å; Y150-S154 WeakPolarHBondContact O-CB 3.22Å; Y150-S154 PolarHBondContact O-N 2.89Å; Y150-S154 PolarHBondContact O-OG 2.8Å; Y150-I177 HydrophobicContact CD2-CG2 4.07Å; Y150-L178 HydrophobicContact CE2-CB 4.14Å; Y150-L178 HydrophobicContact CE2-CD1 3.99Å; Y150-Y181 HydrophobicContact CD2-CD1 4.4Å; Y150-Y181 HydrophobicContact CD2-CG 4.1Å; Y150-Y181 HydrophobicContact CG-CD1 4.46Å; Y150-Y181 HydrophobicContact CG-CD2 4.26Å; Y150-Y181 HydrophobicContact CG-CG 4.2Å
151N93.6Very high90.9Very high107 Ų10784.4 Ų84.457%0.57246%0.457SS*.Hα-helixtrans-63.6-43.6177.3-71.4-25.4000111.8D147 S155D147-N151 VanDerWaalsContact O-CB 3.25Å; D147-N151 WeakPolarHBondContact O-CB 3.47Å; D147-N151 PolarHBondContact O-N 3.34Å; D147-N151 PolarHBondContact O-ND2 3.19Å; D147-N151 VanDerWaalsContact O-ND2 3.12Å; N151-S155 PolarHBondContact O-N 3.37Å; N151-S155 VanDerWaalsContact O-N 3.1Å
152F95.4Very high91.2Very high131 Ų13184 Ų8458%0.57546%0.457SS*.Hα-helixtrans-60.9-53.7175.8-179.8-98.5000111.1S148 L149 S154 S155 F156S148-F152 VanDerWaalsContact O-CB 3.29Å; S148-F152 WeakPolarHBondContact O-CB 3.48Å; S148-F152 PolarHBondContact O-N 3.4Å; L149-F152 PolarHBondContact O-N 2.89Å; F152-S154 VanDerWaalsContact C-N 3.35Å; F152-S154 PolarHBondContact O-N 2.81Å; F152-S155 WeakPolarHBondContact O-CB 3.47Å; F152-S155 PolarHBondContact O-N 3.23Å; F152-S155 VanDerWaalsContact O-N 3.15Å; F152-S155 PolarHBondContact O-OG 3.31Å; F152-F156 HydrophobicContact CD1-CE2 4.09Å; F152-F156 AromaticContact CD2-CE2 3.98Å; F152-F156 HydrophobicContact CD2-CE2 3.98Å; F152-F156 HydrophobicContact CE1-CD2 4.4Å; F152-F156 AromaticContact CE1-CE2 3.72Å; F152-F156 HydrophobicContact CE1-CE2 3.72Å; F152-F156 AromaticContact CE2-CE2 3.6Å; F152-F156 HydrophobicContact CE2-CE2 3.6Å; F152-F156 AromaticContact CE2-CZ 3.97Å; F152-F156 HydrophobicContact CE2-CZ 3.97Å; F152-F156 HydrophobicContact CG-CE2 4.22Å; F152-F156 AromaticContact CZ-CE2 3.46Å; F152-F156 HydrophobicContact CZ-CE2 3.46Å; F152-F156 VanDerWaalsContact CZ-CE2 3.46Å; F152-F156 AromaticContact CZ-CZ 3.87Å; F152-F156 HydrophobicContact CZ-CZ 3.87Å; F152-F156 WeakPolarHBondContact O-CD2 3.37Å; F152-F156 WeakPolarHBondContact O-CE2 3.4Å
153A93.2Very high91.5Very high27 Ų2787 Ų8722%0.22347%0.472CS..Hα-helixtrans-62.6-40.2-178.900000112.8L149 Y150 S155 F156 I177L149-A153 WeakPolarHBondContact O-CB 3.31Å; L149-A153 PolarHBondContact O-N 2.92Å; Y150-A153 PolarHBondContact O-N 3.07Å; A153-S155 PolarHBondContact O-N 2.81Å; A153-F156 PolarHBondContact O-N 2.91Å; A153-I177 HydrophobicContact CB-CD1 3.93Å; A153-I177 HydrophobicContact CB-CG2 4.34Å
154S90.9Very high91.6Very high45 Ų4588 Ų8832%0.31548%0.484SS..Hα-helixtrans-66.9-25.4178.5-59.50000112.5Y150 F152 F156 A157Y150-S154 WeakPolarHBondContact O-CB 3.22Å; Y150-S154 PolarHBondContact O-N 2.89Å; Y150-S154 PolarHBondContact O-OG 2.8Å; F152-S154 VanDerWaalsContact C-N 3.35Å; F152-S154 PolarHBondContact O-N 2.81Å; S154-F156 PolarHBondContact O-N 3.41Å; S154-A157 WeakPolarHBondContact O-CB 3.47Å; S154-A157 PolarHBondContact O-N 3.34Å; S154-A157 VanDerWaalsContact O-N 3.09Å
155S94.4Very high91.6Very high85 Ų8587 Ų8759%0.59449%0.494SS*.Hα-helixtrans-66.4-21176.277.10000113.4N151 F152 A153N151-S155 PolarHBondContact O-N 3.37Å; N151-S155 VanDerWaalsContact O-N 3.1Å; F152-S155 WeakPolarHBondContact O-CB 3.47Å; F152-S155 PolarHBondContact O-N 3.23Å; F152-S155 VanDerWaalsContact O-N 3.15Å; F152-S155 PolarHBondContact O-OG 3.31Å; A153-S155 PolarHBondContact O-N 2.81Å
156F92.3Very high91.5Very high131 Ų13185.8 Ų85.858%0.57549%0.489SS*.THydrogen-bonded Turntrans-989.2174.3-58.5-85.4000113.2F152 A153 S154 L158F152-F156 HydrophobicContact CD1-CE2 4.09Å; F152-F156 AromaticContact CD2-CE2 3.98Å; F152-F156 HydrophobicContact CD2-CE2 3.98Å; F152-F156 HydrophobicContact CE1-CD2 4.4Å; F152-F156 AromaticContact CE1-CE2 3.72Å; F152-F156 HydrophobicContact CE1-CE2 3.72Å; F152-F156 AromaticContact CE2-CE2 3.6Å; F152-F156 HydrophobicContact CE2-CE2 3.6Å; F152-F156 AromaticContact CE2-CZ 3.97Å; F152-F156 HydrophobicContact CE2-CZ 3.97Å; F152-F156 HydrophobicContact CG-CE2 4.22Å; F152-F156 AromaticContact CZ-CE2 3.46Å; F152-F156 HydrophobicContact CZ-CE2 3.46Å; F152-F156 VanDerWaalsContact CZ-CE2 3.46Å; F152-F156 AromaticContact CZ-CZ 3.87Å; F152-F156 HydrophobicContact CZ-CZ 3.87Å; F152-F156 WeakPolarHBondContact O-CD2 3.37Å; F152-F156 WeakPolarHBondContact O-CE2 3.4Å; A153-F156 PolarHBondContact O-N 2.91Å; S154-F156 PolarHBondContact O-N 3.41Å; F156-L158 PolarHBondContact O-N 2.83Å
157A91Very high91.5Very high57 Ų5792 Ų9247%0.47153%0.53SS..  trans-67.5118.718000000110.8S154S154-A157 WeakPolarHBondContact O-CB 3.47Å; S154-A157 PolarHBondContact O-N 3.34Å; S154-A157 VanDerWaalsContact O-N 3.09Å
158L91.7Very high91.6Very high100 Ų10095.4 Ų95.452%0.52455%0.552SS.*  trans-123.6141.5178.6-64168.7000109.7F156 Q162 M163F156-L158 PolarHBondContact O-N 2.83Å; L158-Q162 HydrophobicContact CB-CB 4.36Å; L158-Q162 HydrophobicContact CD2-CB 4.12Å; L158-M163 HydrophobicContact CB-CG 4.4Å
159S90.8Very high91.5Very high58 Ų5896.5 Ų96.541%0.40655%0.548SS..  trans-75.2159166.467.10000110.5A161 Q162 M163S159-A161 PolarHBondContact O-N 2.8Å; S159-A161 VanDerWaalsContact O-N 3.11Å; S159-Q162 PolarHBondContact O-N 2.8Å; S159-Q162 WeakPolarHBondContact OG-CG 3.42Å; S159-Q162 PolarHBondContact OG-OE1 2.86Å; S159-M163 PolarHBondContact O-N 3.37Å
160Q87.7Confident91.4Very high178 Ų17898.7 Ų98.783%0.83257%0.566SS**G310 helixtrans-55.4-31.2176.6-69.3-179.4100112.7Q162 M163Q160-Q162 VanDerWaalsContact C-N 3.26Å; Q160-Q162 PolarHBondContact O-N 2.84Å; Q160-M163 PolarHBondContact O-N 2.92Å
161A92.6Very high91.3Very high100 Ų100100.8 Ų100.883%0.82658%0.576SS**G310 helixtrans-69.6-20.5177.100000113.9S159S159-A161 PolarHBondContact O-N 2.8Å; S159-A161 VanDerWaalsContact O-N 3.11Å
162Q90.8Very high91.2Very high122 Ų122101.4 Ų101.457%0.5758%0.578SS**G310 helixtrans-99.5-6.5179.8-65.5162.9-48.300112.4L158 S159 Q160L158-Q162 HydrophobicContact CB-CB 4.36Å; L158-Q162 HydrophobicContact CD2-CB 4.12Å; S159-Q162 PolarHBondContact O-N 2.8Å; S159-Q162 WeakPolarHBondContact OG-CG 3.42Å; S159-Q162 PolarHBondContact OG-OE1 2.86Å; Q160-Q162 VanDerWaalsContact C-N 3.26Å; Q160-Q162 PolarHBondContact O-N 2.84Å
163M89.1Confident91.1Very high69 Ų6998.7 Ų98.734%0.3457%0.574SS.*  trans-75.2140.5-179.1-73.3178.4169.400111.2L158 S159 Q160 F171L158-M163 HydrophobicContact CB-CG 4.4Å; S159-M163 PolarHBondContact O-N 3.37Å; Q160-M163 PolarHBondContact O-N 2.92Å; M163-F171 HydrophobicContact CE-CB 4.45Å; M163-F171 HydrophobicContact CE-CD1 3.59Å; M163-F171 HydrophobicContact CE-CE1 3.99Å; M163-F171 HydrophobicContact CE-CG 4Å; M163-F171 HydrophobicContact SD-CD1 4.49Å
164T89.9Confident91Very high113 Ų113101.3 Ų101.369%0.69359%0.59SS**  trans-95.7145.3167.957.20000109.4N166T164-N166 PolarHBondContact O-N 3.4Å
165P89.2Confident91.1Very high136 Ų136102 Ų10288%0.88360%0.596SS**  trans-62.3110.5-178.9-22.833.5000111.8
166N89.6Confident91Very high60 Ų60101.1 Ų101.132%0.32159%0.588SS.*  trans-131.691.1172.9-172-8.5000110.1T164 T168 E169T164-N166 PolarHBondContact O-N 3.4Å; N166-T168 PolarHBondContact O-N 3.33Å; N166-T168 VanDerWaalsContact O-N 3.15Å; N166-T168 PolarHBondContact OD1-N 2.88Å; N166-T168 PolarHBondContact OD1-OG1 2.94Å; N166-E169 HydrophobicContact CB-CB 4.03Å; N166-E169 WeakPolarHBondContact ND2-CB 3.38Å; N166-E169 PolarHBondContact ND2-OE2 2.87Å; N166-E169 PolarHBondContact O-N 3.32Å
167P88.7Confident91Very high131 Ų13197 Ų9785%0.85157%0.572SS**THydrogen-bonded Turntrans-69.9-10.4-173.427.5-33.8000114
168T93.6Very high91.1Very high128 Ų12897.2 Ų97.279%0.78557%0.565SS**THydrogen-bonded Turntrans-94.9-9177.854.20000113.7N166N166-T168 PolarHBondContact O-N 3.33Å; N166-T168 VanDerWaalsContact O-N 3.15Å; N166-T168 PolarHBondContact OD1-N 2.88Å; N166-T168 PolarHBondContact OD1-OG1 2.94Å
169E91.3Very high91.3Very high103 Ų10398.7 Ų98.748%0.48157%0.567SS.*  trans-99.1134.2-173.7-172.1168.3-162.400111.8N166 F171N166-E169 HydrophobicContact CB-CB 4.03Å; N166-E169 WeakPolarHBondContact ND2-CB 3.38Å; N166-E169 PolarHBondContact ND2-OE2 2.87Å; N166-E169 PolarHBondContact O-N 3.32Å; E169-F171 HydrophobicContact CB-CE2 4.03Å; E169-F171 HydrophobicContact CB-CZ 4.16Å; E169-F171 HydrophobicContact CG-CE1 4.34Å; E169-F171 HydrophobicContact CG-CE2 4.02Å; E169-F171 HydrophobicContact CG-CZ 3.82Å
170T90.7Very high91.4Very high132 Ų132101.3 Ų101.381%0.8157%0.568SS**  trans-96.5132177.2570000110.3
171F90.7Very high91.7Very high104 Ų10494.6 Ų94.646%0.45654%0.535SS..  trans-109.1136.4179-63.3-88.7000111.1M163 E169M163-F171 HydrophobicContact CE-CB 4.45Å; M163-F171 HydrophobicContact CE-CD1 3.59Å; M163-F171 HydrophobicContact CE-CE1 3.99Å; M163-F171 HydrophobicContact CE-CG 4Å; M163-F171 HydrophobicContact SD-CD1 4.49Å; E169-F171 HydrophobicContact CB-CE2 4.03Å; E169-F171 HydrophobicContact CB-CZ 4.16Å; E169-F171 HydrophobicContact CG-CE1 4.34Å; E169-F171 HydrophobicContact CG-CE2 4.02Å; E169-F171 HydrophobicContact CG-CZ 3.82Å
172I92.4Very high91.8Very high119 Ų11994.9 Ų94.961%0.6152%0.519SS*.  trans-102.6127.5172.1-59.1175.7000107.6S174 C176 I177I172-S174 PolarHBondContact O-N 3.43Å; I172-C176 HydrophobicContact CG2-CB 3.91Å; I172-I177 HydrophobicContact CG2-CD1 4.41Å; I172-I177 HydrophobicContact CG2-CG1 4.01Å
173P92.4Very high91.9Very high74 Ų7492.1 Ų92.148%0.48151%0.509SS..  trans-56.4133.2174.2-24.333.6000111.1S175 C176P173-S175 PolarHBondContact O-N 2.97Å; P173-S175 VanDerWaalsContact O-N 3.1Å; P173-C176 VanDerWaalsContact O-CB 3.29Å; P173-C176 WeakPolarHBondContact O-CB 3.33Å; P173-C176 PolarHBondContact O-N 2.67Å
174S90.5Very high92.1Very high82 Ų8290.4 Ų90.457%0.57350%0.5SS*.Hα-helixtrans-55.3-32.4178.656.60000112.5I172 C176 I177 L178I172-S174 PolarHBondContact O-N 3.43Å; S174-C176 VanDerWaalsContact C-N 3.29Å; S174-C176 PolarHBondContact O-N 2.81Å; S174-I177 PolarHBondContact O-N 3.36Å; S174-L178 PolarHBondContact O-N 3.07Å
175S93.4Very high92.1Very high61 Ų6188.4 Ų88.443%0.42748%0.482SS..Hα-helixtrans-62.8-29.5174.762.50000113.9P173 K179P173-S175 PolarHBondContact O-N 2.97Å; P173-S175 VanDerWaalsContact O-N 3.1Å; S175-K179 WeakPolarHBondContact O-CB 3.47Å; S175-K179 VanDerWaalsContact O-CG 3.25Å; S175-K179 WeakPolarHBondContact O-CG 3.31Å; S175-K179 PolarHBondContact O-N 3.16Å
176C93.6Very high92.2Very high65 Ų6588.9 Ų88.944%0.43947%0.466SS..Hα-helixtrans-68.9-42.1174.1-68.30000111I172 P173 S174 W180I172-C176 HydrophobicContact CG2-CB 3.91Å; P173-C176 VanDerWaalsContact O-CB 3.29Å; P173-C176 WeakPolarHBondContact O-CB 3.33Å; P173-C176 PolarHBondContact O-N 2.67Å; S174-C176 VanDerWaalsContact C-N 3.29Å; S174-C176 PolarHBondContact O-N 2.81Å; C176-W180 WeakPolarHBondContact O-CB 3.44Å; C176-W180 PolarHBondContact O-N 2.9Å
177I92.2Very high92.2Very high45 Ų4592.9 Ų92.923%0.23148%0.477CS..Hα-helixtrans-67.8-44.1178.7-59.3-176.9000110.5Y150 A153 I172 S174 W180 Y181Y150-I177 HydrophobicContact CD2-CG2 4.07Å; A153-I177 HydrophobicContact CB-CD1 3.93Å; A153-I177 HydrophobicContact CB-CG2 4.34Å; I172-I177 HydrophobicContact CG2-CD1 4.41Å; I172-I177 HydrophobicContact CG2-CG1 4.01Å; S174-I177 PolarHBondContact O-N 3.36Å; I177-W180 PolarHBondContact O-N 2.84Å; I177-Y181 WeakPolarHBondContact O-CB 3.35Å; I177-Y181 PolarHBondContact O-N 3.09Å
178L92.3Very high92.1Very high62 Ų6286.8 Ų86.833%0.32544%0.437SS..Hα-helixtrans-59.1-49.7175.5176.660.4000111.7Y150 S174 W180 Y181 E182Y150-L178 HydrophobicContact CE2-CB 4.14Å; Y150-L178 HydrophobicContact CE2-CD1 3.99Å; S174-L178 PolarHBondContact O-N 3.07Å; L178-W180 VanDerWaalsContact C-N 3.29Å; L178-W180 PolarHBondContact O-N 3.19Å; L178-Y181 PolarHBondContact O-N 3.25Å; L178-E182 HydrophobicContact CD1-CG 4.15Å; L178-E182 WeakPolarHBondContact O-CG 3.46Å; L178-E182 PolarHBondContact O-N 2.81Å
179K95.3Very high91.7Very high131 Ų13184.5 Ų84.557%0.5743%0.431SS*.Hα-helixtrans-60.5-38.5177-77.1175.7-179.1179.30112.3S175 N183S175-K179 WeakPolarHBondContact O-CB 3.47Å; S175-K179 VanDerWaalsContact O-CG 3.25Å; S175-K179 WeakPolarHBondContact O-CG 3.31Å; S175-K179 PolarHBondContact O-N 3.16Å; K179-N183 VanDerWaalsContact O-CB 3.28Å; K179-N183 WeakPolarHBondContact O-CB 3.37Å; K179-N183 VanDerWaalsContact O-CG 3.31Å; K179-N183 PolarHBondContact O-N 2.67Å; K179-N183 VanDerWaalsContact O-N 3.09Å; K179-N183 PolarHBondContact O-ND2 3.33Å
180W94.4Very high91.5Very high112 Ų11286.9 Ų86.942%0.42444%0.442SS..Hα-helixtrans-63.8-46.9175.9173.187.7000111L146 L149 C176 I177 L178 N183 F184L146-W180 HydrophobicContact CD2-CH2 3.48Å; L146-W180 VanDerWaalsContact CD2-CH2 3.48Å; L146-W180 HydrophobicContact CD2-CZ2 4.33Å; L146-W180 HydrophobicContact CD2-CZ3 3.83Å; L149-W180 HydrophobicContact CD2-CH2 3.67Å; L149-W180 HydrophobicContact CD2-CZ3 3.73Å; C176-W180 WeakPolarHBondContact O-CB 3.44Å; C176-W180 PolarHBondContact O-N 2.9Å; I177-W180 PolarHBondContact O-N 2.84Å; L178-W180 VanDerWaalsContact C-N 3.29Å; L178-W180 PolarHBondContact O-N 3.19Å; W180-N183 PolarHBondContact O-N 3.1Å; W180-F184 HydrophobicContact CH2-CD2 4.3Å; W180-F184 AromaticContact CZ2-CD2 3.69Å; W180-F184 HydrophobicContact CZ2-CD2 3.69Å; W180-F184 HydrophobicContact CZ2-CE2 4.18Å; W180-F184 HydrophobicContact CZ2-CG 4.44Å; W180-F184 WeakPolarHBondContact O-CB 2.98Å; W180-F184 PolarHBondContact O-N 2.92Å
181Y92.6Very high91.1Very high38 Ų3884.4 Ų84.415%0.14942%0.424CS..Hα-helixtrans-59.5-50.6179.1169.8-99.8000111.9L146 D147 Y150 I177 L178 N183 F184 Q185L146-Y181 HydrophobicContact CB-CD2 4.08Å; L146-Y181 HydrophobicContact CB-CE2 3.94Å; D147-Y181 PolarHBondContact OD1-OH 3.14Å; Y150-Y181 HydrophobicContact CD2-CD1 4.4Å; Y150-Y181 HydrophobicContact CD2-CG 4.1Å; Y150-Y181 HydrophobicContact CG-CD1 4.46Å; Y150-Y181 HydrophobicContact CG-CD2 4.26Å; Y150-Y181 HydrophobicContact CG-CG 4.2Å; I177-Y181 WeakPolarHBondContact O-CB 3.35Å; I177-Y181 PolarHBondContact O-N 3.09Å; L178-Y181 PolarHBondContact O-N 3.25Å; Y181-N183 VanDerWaalsContact C-N 3.33Å; Y181-N183 PolarHBondContact O-N 2.91Å; Y181-F184 PolarHBondContact O-N 2.85Å; Y181-Q185 HydrophobicContact CD2-CG 4.47Å; Y181-Q185 HydrophobicContact CE2-CG 4.17Å; Y181-Q185 WeakPolarHBondContact O-CG 3.18Å; Y181-Q185 PolarHBondContact O-N 3.43Å; Y181-Q185 PolarHBondContact OH-NE2 3.19Å
182E94.1Very high90.6Very high105 Ų10580.9 Ų80.949%0.49141%0.412SS..Hα-helixtrans-59.8-42.6177.4-70.1175.4165.200112L178 R186L178-E182 HydrophobicContact CD1-CG 4.15Å; L178-E182 WeakPolarHBondContact O-CG 3.46Å; L178-E182 PolarHBondContact O-N 2.81Å; E182-R186 WeakPolarHBondContact O-CB 3.36Å; E182-R186 PolarHBondContact O-N 3.09Å
183N94Very high90.1Very high65 Ų6578.5 Ų78.535%0.34840%0.4SS..Hα-helixtrans-65.5-40.8177.7-83.3-53.2000112.3K179 W180 Y181 R186 R187K179-N183 VanDerWaalsContact O-CB 3.28Å; K179-N183 WeakPolarHBondContact O-CB 3.37Å; K179-N183 VanDerWaalsContact O-CG 3.31Å; K179-N183 PolarHBondContact O-N 2.67Å; K179-N183 VanDerWaalsContact O-N 3.09Å; K179-N183 PolarHBondContact O-ND2 3.33Å; W180-N183 PolarHBondContact O-N 3.1Å; Y181-N183 VanDerWaalsContact C-N 3.33Å; Y181-N183 PolarHBondContact O-N 2.91Å; N183-R186 PolarHBondContact OD1-NH2 3.35Å; N183-R187 WeakPolarHBondContact O-CG 3.46Å; N183-R187 PolarHBondContact O-N 2.82Å
184F92.8Very high89.7Confident33 Ų3377.3 Ų77.315%0.14539%0.388CS..Hα-helixtrans-65.6-48178.7-161.8-67.6000110.5T142 L146 W180 Y181 R186 R187 M188 F194T142-F184 HydrophobicContact CG2-CE1 3.99Å; T142-F184 HydrophobicContact CG2-CZ 4.39Å; L146-F184 HydrophobicContact CD1-CD1 3.3Å; L146-F184 HydrophobicContact CD1-CE1 3.72Å; L146-F184 HydrophobicContact CD1-CG 4.14Å; L146-F184 HydrophobicContact CD2-CB 4.16Å; L146-F184 HydrophobicContact CD2-CD1 3.58Å; L146-F184 HydrophobicContact CD2-CD2 4.16Å; L146-F184 HydrophobicContact CD2-CE1 3.92Å; L146-F184 HydrophobicContact CD2-CE2 4.47Å; L146-F184 HydrophobicContact CD2-CG 3.7Å; L146-F184 HydrophobicContact CD2-CZ 4.36Å; L146-F184 HydrophobicContact CG-CD1 3.99Å; L146-F184 HydrophobicContact CG-CE1 4.21Å; W180-F184 HydrophobicContact CH2-CD2 4.3Å; W180-F184 AromaticContact CZ2-CD2 3.69Å; W180-F184 HydrophobicContact CZ2-CD2 3.69Å; W180-F184 HydrophobicContact CZ2-CE2 4.18Å; W180-F184 HydrophobicContact CZ2-CG 4.44Å; W180-F184 WeakPolarHBondContact O-CB 2.98Å; W180-F184 PolarHBondContact O-N 2.92Å; Y181-F184 PolarHBondContact O-N 2.85Å; F184-R186 VanDerWaalsContact C-N 3.33Å; F184-R186 PolarHBondContact O-N 2.74Å; F184-R187 PolarHBondContact O-N 3.07Å; F184-M188 HydrophobicContact CD1-CE 3.82Å; F184-M188 HydrophobicContact CE1-CE 3.44Å; F184-M188 VanDerWaalsContact CE1-CE 3.44Å; F184-M188 WeakPolarHBondContact O-CB 3.43Å; F184-M188 PolarHBondContact O-N 2.89Å; F184-F194 HydrophobicContact CD1-CE1 4.05Å; F184-F194 AromaticContact CD1-CZ 3.75Å; F184-F194 HydrophobicContact CD1-CZ 3.75Å; F184-F194 AromaticContact CD2-CZ 3.86Å; F184-F194 HydrophobicContact CD2-CZ 3.86Å; F184-F194 AromaticContact CE1-CE1 3.78Å; F184-F194 HydrophobicContact CE1-CE1 3.78Å; F184-F194 AromaticContact CE1-CZ 3.62Å; F184-F194 HydrophobicContact CE1-CZ 3.62Å; F184-F194 HydrophobicContact CE2-CE2 4.43Å; F184-F194 AromaticContact CE2-CZ 3.72Å; F184-F194 HydrophobicContact CE2-CZ 3.72Å; F184-F194 AromaticContact CG-CZ 3.89Å; F184-F194 HydrophobicContact CG-CZ 3.89Å; F184-F194 HydrophobicContact CZ-CE1 4.09Å; F184-F194 AromaticContact CZ-CZ 3.61Å; F184-F194 HydrophobicContact CZ-CZ 3.61Å
185Q89.8Confident89.2Confident70 Ų7078.6 Ų78.633%0.32738%0.38SS..Hα-helixtrans-57.8-45.5176.8-74.3-169.2-4300111.8L146 Y181 R187 M188 A189L146-Q185 HydrophobicContact CD1-CG 4.2Å; Y181-Q185 HydrophobicContact CD2-CG 4.47Å; Y181-Q185 HydrophobicContact CE2-CG 4.17Å; Y181-Q185 WeakPolarHBondContact O-CG 3.18Å; Y181-Q185 PolarHBondContact O-N 3.43Å; Y181-Q185 PolarHBondContact OH-NE2 3.19Å; Q185-R187 PolarHBondContact O-N 3.34Å; Q185-M188 PolarHBondContact O-N 3.31Å; Q185-A189 PolarHBondContact O-N 3.44Å
186R92.4Very high88.4Confident146 Ų14681.5 Ų81.555%0.55139%0.385SS*.Hα-helixtrans-60.5-46177.4-17817662.6167.3-1.6112.4E182 N183 F184 M188 A189 Q190E182-R186 WeakPolarHBondContact O-CB 3.36Å; E182-R186 PolarHBondContact O-N 3.09Å; N183-R186 PolarHBondContact OD1-NH2 3.35Å; F184-R186 VanDerWaalsContact C-N 3.33Å; F184-R186 PolarHBondContact O-N 2.74Å; R186-M188 VanDerWaalsContact C-N 3.35Å; R186-A189 PolarHBondContact O-N 3.37Å; R186-Q190 WeakPolarHBondContact O-CG 3.48Å; R186-Q190 PolarHBondContact O-N 2.87Å
187R89.6Confident86.1Confident145 Ų14588.7 Ų88.755%0.54742%0.419SS..Hα-helixtrans-65.5-39178.4-74.3-179178.1-148.8-0.1111.8N183 F184 Q185 Q190 N191 F194N183-R187 WeakPolarHBondContact O-CG 3.46Å; N183-R187 PolarHBondContact O-N 2.82Å; F184-R187 PolarHBondContact O-N 3.07Å; Q185-R187 PolarHBondContact O-N 3.34Å; R187-Q190 PolarHBondContact O-N 3.43Å; R187-N191 PolarHBondContact O-N 2.91Å; R187-F194 HydrophobicContact CB-CD1 3.94Å; R187-F194 HydrophobicContact CB-CD2 3.93Å; R187-F194 HydrophobicContact CB-CE1 3.94Å; R187-F194 HydrophobicContact CB-CE2 3.93Å; R187-F194 HydrophobicContact CB-CG 3.93Å; R187-F194 HydrophobicContact CB-CZ 3.92Å
188M85.9Confident85.8Confident3 Ų390.9 Ų90.92%0.01543%0.429CS..Hα-helixtrans-64.4-43.2177.1-171.1-166.7-64.800112.3M139 T142 Q143 L146 F184 Q185 R186 Q190 N191 F194M139-M188 HydrophobicContact CE-CG 3.75Å; M139-M188 HydrophobicContact CE-SD 3.9Å; M139-M188 HydrophobicContact SD-CG 3.48Å; M139-M188 WeakPolarHBondContact SD-CG 3.1Å; M139-M188 HydrophobicContact SD-SD 3.76Å; T142-M188 HydrophobicContact CG2-CE 3.16Å; T142-M188 HydrophobicContact CG2-SD 4.42Å; Q143-M188 HydrophobicContact CG-SD 3.98Å; L146-M188 HydrophobicContact CD1-CE 3.44Å; L146-M188 VanDerWaalsContact CD1-CE 3.44Å; F184-M188 HydrophobicContact CD1-CE 3.82Å; F184-M188 HydrophobicContact CE1-CE 3.44Å; F184-M188 VanDerWaalsContact CE1-CE 3.44Å; F184-M188 WeakPolarHBondContact O-CB 3.43Å; F184-M188 PolarHBondContact O-N 2.89Å; Q185-M188 PolarHBondContact O-N 3.31Å; R186-M188 VanDerWaalsContact C-N 3.35Å; M188-Q190 PolarHBondContact O-N 3.04Å; M188-N191 CarbonylContact O-C 3.56Å; M188-N191 VanDerWaalsContact O-C 3.29Å; M188-N191 PolarHBondContact O-N 3.15Å; M188-F194 HydrophobicContact CB-CD1 4.44Å; M188-F194 HydrophobicContact CB-CE1 3.94Å
189A85.2Confident85.5Confident80 Ų8092.4 Ų92.466%0.66143%0.434SS*.Hα-helixtrans-61.9-31.1177.800000112.5Q185 R186Q185-A189 PolarHBondContact O-N 3.44Å; R186-A189 PolarHBondContact O-N 3.37Å
190Q86.3Confident84.9Confident152 Ų15290.3 Ų90.371%0.7143%0.427SS*.Hα-helixtrans-81.9-41.2177.1-68.4174.3-6.900112.7R186 R187 M188R186-Q190 WeakPolarHBondContact O-CG 3.48Å; R186-Q190 PolarHBondContact O-N 2.87Å; R187-Q190 PolarHBondContact O-N 3.43Å; M188-Q190 PolarHBondContact O-N 3.04Å
191N82.1Confident84.4Confident81 Ų8189 Ų8943%0.43343%0.427SS..  trans-146.6104.5179.5177.4-0.8000110.2R187 M188 N193 F194R187-N191 PolarHBondContact O-N 2.91Å; M188-N191 CarbonylContact O-C 3.56Å; M188-N191 VanDerWaalsContact O-C 3.29Å; M188-N191 PolarHBondContact O-N 3.15Å; N191-N193 PolarHBondContact O-N 3.09Å; N191-N193 PolarHBondContact OD1-N 3Å; N191-F194 HydrophobicContact CB-CB 4.18Å; N191-F194 WeakPolarHBondContact O-CB 3.47Å; N191-F194 VanDerWaalsContact O-CD1 3.3Å; N191-F194 WeakPolarHBondContact O-CD1 3.45Å; N191-F194 PolarHBondContact O-N 2.71Å; N191-F194 VanDerWaalsContact O-N 3.08Å
192P80.7Confident83.8Confident30 Ų3092.2 Ų92.220%0.19544%0.444CS..THydrogen-bonded Turntrans-54.5-23.7178.1-3137.6000115.5V135 F138 M139 W195V135-P192 HydrophobicContact CG1-CB 4.22Å; V135-P192 HydrophobicContact CG1-CG 4.04Å; F138-P192 WeakPolarHBondContact CE1-O 3.39Å; M139-P192 HydrophobicContact CE-CG 4.43Å; M139-P192 HydrophobicContact CG-CB 4.11Å; M139-P192 HydrophobicContact CG-CG 4.19Å; M139-P192 HydrophobicContact SD-CB 3.5Å; M139-P192 WeakPolarHBondContact SD-CB 3.48Å; M139-P192 HydrophobicContact SD-CG 3.62Å; P192-W195 PolarHBondContact O-NE1 3.44Å
193N81.7Confident83.2Confident68 Ų6891.3 Ų91.336%0.36444%0.441SS..THydrogen-bonded Turntrans-105.714.4-177.7-67.7-65.2000113.5N191 W195 K196N191-N193 PolarHBondContact O-N 3.09Å; N191-N193 PolarHBondContact OD1-N 3Å; N193-W195 PolarHBondContact O-N 3.35Å; N193-K196 HydrophobicContact CB-CD 4.46Å; N193-K196 PolarHBondContact O-N 3.04Å; N193-K196 VanDerWaalsContact O-N 3.11Å; N193-K196 PolarHBondContact OD1-NZ 2.78Å; N193-K196 VanDerWaalsContact OD1-NZ 3.11Å
194F85.4Confident82.4Confident49 Ų4993.2 Ų93.222%0.21545%0.448CS..THydrogen-bonded Turntrans-58-23-174.481.2-88.2000115F184 R187 M188 N191F184-F194 HydrophobicContact CD1-CE1 4.05Å; F184-F194 AromaticContact CD1-CZ 3.75Å; F184-F194 HydrophobicContact CD1-CZ 3.75Å; F184-F194 AromaticContact CD2-CZ 3.86Å; F184-F194 HydrophobicContact CD2-CZ 3.86Å; F184-F194 AromaticContact CE1-CE1 3.78Å; F184-F194 HydrophobicContact CE1-CE1 3.78Å; F184-F194 AromaticContact CE1-CZ 3.62Å; F184-F194 HydrophobicContact CE1-CZ 3.62Å; F184-F194 HydrophobicContact CE2-CE2 4.43Å; F184-F194 AromaticContact CE2-CZ 3.72Å; F184-F194 HydrophobicContact CE2-CZ 3.72Å; F184-F194 AromaticContact CG-CZ 3.89Å; F184-F194 HydrophobicContact CG-CZ 3.89Å; F184-F194 HydrophobicContact CZ-CE1 4.09Å; F184-F194 AromaticContact CZ-CZ 3.61Å; F184-F194 HydrophobicContact CZ-CZ 3.61Å; R187-F194 HydrophobicContact CB-CD1 3.94Å; R187-F194 HydrophobicContact CB-CD2 3.93Å; R187-F194 HydrophobicContact CB-CE1 3.94Å; R187-F194 HydrophobicContact CB-CE2 3.93Å; R187-F194 HydrophobicContact CB-CG 3.93Å; R187-F194 HydrophobicContact CB-CZ 3.92Å; M188-F194 HydrophobicContact CB-CD1 4.44Å; M188-F194 HydrophobicContact CB-CE1 3.94Å; N191-F194 HydrophobicContact CB-CB 4.18Å; N191-F194 WeakPolarHBondContact O-CB 3.47Å; N191-F194 VanDerWaalsContact O-CD1 3.3Å; N191-F194 WeakPolarHBondContact O-CD1 3.45Å; N191-F194 PolarHBondContact O-N 2.71Å; N191-F194 VanDerWaalsContact O-N 3.08Å
195W80.4Confident81.6Confident109 Ų10997.8 Ų97.841%0.41347%0.471SS..THydrogen-bonded Turntrans-91.1-8.6-175.556.4-89.5000113.2F138 P192 N193F138-W195 HydrophobicContact CD2-CZ2 4.45Å; F138-W195 AromaticContact CE1-CE2 3.75Å; F138-W195 AromaticContact CE1-CZ2 3.62Å; F138-W195 HydrophobicContact CE1-CZ2 3.62Å; F138-W195 AromaticContact CE1-NE1 3.36Å; F138-W195 AromaticContact CE2-CH2 3.98Å; F138-W195 HydrophobicContact CE2-CH2 3.98Å; F138-W195 AromaticContact CE2-CZ2 3.39Å; F138-W195 HydrophobicContact CE2-CZ2 3.39Å; F138-W195 AromaticContact CZ-CE2 3.29Å; F138-W195 AromaticContact CZ-CH2 3.9Å; F138-W195 HydrophobicContact CZ-CH2 3.9Å; F138-W195 AromaticContact CZ-CZ2 2.92Å; F138-W195 HydrophobicContact CZ-CZ2 2.92Å; F138-W195 AromaticContact CZ-NE1 3.36Å; P192-W195 PolarHBondContact O-NE1 3.44Å; N193-W195 PolarHBondContact O-N 3.35Å
196K75.8Confident80.9Confident122 Ų122100.2 Ų100.253%0.5348%0.483SS..  trans-81-11.5-178.6-79.7-175.6177.8160.60114.2N193N193-K196 HydrophobicContact CB-CD 4.46Å; N193-K196 PolarHBondContact O-N 3.04Å; N193-K196 VanDerWaalsContact O-N 3.11Å; N193-K196 PolarHBondContact OD1-NZ 2.78Å; N193-K196 VanDerWaalsContact OD1-NZ 3.11Å
197N45.3Very low79.8Confident217 Ų21796 Ų96100%1.1648%0.477SS*.  trans-125.80-177.2-67.6-30.1000110.9

Retrieved 197 of 197 residues in 199 ms (Link to these results)

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