A0A077ZHZ4_TRITR Loading...

S10 plectin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHZ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 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
1M87.1Confident94.9Very high133 Ų13385.3 Ų85.366%0.65542%0.416SS*.  0128.10171.3176.6170.300108.7L40 Y41 K44M1-L40 HydrophobicContact CE-CD2 4.12Å; M1-L40 HydrophobicContact CE-CG 4.14Å; M1-Y41 HydrophobicContact CE-CD1 3.22Å; M1-Y41 HydrophobicContact CE-CE1 3.22Å; M1-Y41 HydrophobicContact CE-CG 4.47Å; M1-K44 HydrophobicContact SD-CB 3.8Å; M1-K44 HydrophobicContact SD-CD 4.4Å; M1-K44 HydrophobicContact SD-CG 3.63Å
2L91Very high95.2Very high165 Ų16578.9 Ų78.986%0.86439%0.385SS*.  trans-73.2133.1172.3-171.565.2000109.3
3M94.2Very high95.2Very high14 Ų1481.5 Ų81.57%0.06940%0.396CS..  trans-140.2133.6179.4178.8-171.9-58.600107.8K5 R8 I11 Y41 A45M3-K5 PolarHBondContact O-N 2.99Å; M3-R8 HydrophobicContact CG-CB 4.36Å; M3-R8 PolarHBondContact O-NH2 3.11Å; M3-R8 HydrophobicContact SD-CB 3.71Å; M3-R8 HydrophobicContact SD-CG 4.07Å; M3-I11 HydrophobicContact SD-CD1 4.1Å; M3-Y41 HydrophobicContact CE-CG 4.26Å; M3-Y41 WeakPolarHBondContact CE-O 3.42Å; M3-Y41 HydrophobicContact CG-CD1 4.48Å; M3-Y41 HydrophobicContact CG-CD2 4.03Å; M3-Y41 HydrophobicContact CG-CE2 4.49Å; M3-Y41 HydrophobicContact CG-CG 4.01Å; M3-Y41 HydrophobicContact SD-CG 4.47Å; M3-A45 HydrophobicContact CE-CB 4.02Å; M3-A45 HydrophobicContact SD-CB 4.44Å
4P96.4Very high95.4Very high61 Ų6179.4 Ų79.440%0.39638%0.382SS..  trans-54138.5177.6-25.634.7000112K6 D7 R8 Y41P4-K6 VanDerWaalsContact C-N 3.26Å; P4-K6 PolarHBondContact O-N 3.46Å; P4-D7 HydrophobicContact CB-CB 4.28Å; P4-D7 PolarHBondContact O-N 3.4Å; P4-R8 PolarHBondContact O-N 2.98Å; P4-Y41 HydrophobicContact CG-CE2 4.15Å
5K95.4Very high95.5Very high165 Ų16574.1 Ų74.172%0.71736%0.356SS*.Hα-helixtrans-59.2-39.7-178.5-172178.1179.4-177.90111.6M3 R8 H9M3-K5 PolarHBondContact O-N 2.99Å; K5-R8 PolarHBondContact O-N 3.44Å; K5-H9 WeakPolarHBondContact O-CB 3.06Å; K5-H9 PolarHBondContact O-N 3.29Å
6K96Very high95.5Very high175 Ų17569.7 Ų69.776%0.76134%0.335SS*.Hα-helixtrans-58.1-49.7177.3-175.4179.8178.6-179.60111.9P4 H9 A10P4-K6 VanDerWaalsContact C-N 3.26Å; P4-K6 PolarHBondContact O-N 3.46Å; K6-H9 PolarHBondContact O-N 3.05Å; K6-A10 PolarHBondContact O-N 3.44Å
7D96Very high95.4Very high41 Ų4173.9 Ų73.922%0.21935%0.352CS..Hα-helixtrans-67.4-41.5-178.4-68.8-3.5000111.7P4 H9 A10 I11 V37 Y41P4-D7 HydrophobicContact CB-CB 4.28Å; P4-D7 PolarHBondContact O-N 3.4Å; D7-H9 VanDerWaalsContact C-N 3.32Å; D7-H9 PolarHBondContact O-N 3.36Å; D7-A10 PolarHBondContact O-N 3.29Å; D7-I11 WeakPolarHBondContact O-CD1 3.36Å; D7-I11 VanDerWaalsContact O-CG1 3.26Å; D7-I11 WeakPolarHBondContact O-CG1 3.44Å; D7-I11 PolarHBondContact O-N 3.38Å; D7-V37 HydrophobicContact CB-CG1 3.73Å; D7-V37 HydrophobicContact CB-CG2 4.14Å; D7-Y41 HydrophobicContact CB-CD2 4.04Å; D7-Y41 WeakPolarHBondContact OD2-CD2 3.23Å; D7-Y41 VanDerWaalsContact OD2-CE2 3.3Å; D7-Y41 WeakPolarHBondContact OD2-CE2 3.33Å
8R96.8Very high95.4Very high80 Ų8073.9 Ų73.930%0.30235%0.351SS..Hα-helixtrans-60.6-44.5174.6-170.2-177.3-58.1163.24111.5M3 P4 K5 I11 Y12M3-R8 HydrophobicContact CG-CB 4.36Å; M3-R8 PolarHBondContact O-NH2 3.11Å; M3-R8 HydrophobicContact SD-CB 3.71Å; M3-R8 HydrophobicContact SD-CG 4.07Å; P4-R8 PolarHBondContact O-N 2.98Å; K5-R8 PolarHBondContact O-N 3.44Å; R8-I11 PolarHBondContact O-N 3.01Å; R8-Y12 HydrophobicContact CG-CD2 4.28Å; R8-Y12 HydrophobicContact CG-CE1 4.29Å; R8-Y12 HydrophobicContact CG-CE2 3.8Å; R8-Y12 PolarHBondContact O-N 3.46Å; R8-Y12 VanDerWaalsContact O-N 3.11Å
9H96.6Very high95.4Very high72 Ų7270.1 Ų70.133%0.33333%0.333SS..Hα-helixtrans-61-46.1177.9-165-82.2000111.2K5 K6 D7 I11 Y12 E13 L80K5-H9 WeakPolarHBondContact O-CB 3.06Å; K5-H9 PolarHBondContact O-N 3.29Å; K6-H9 PolarHBondContact O-N 3.05Å; D7-H9 VanDerWaalsContact C-N 3.32Å; D7-H9 PolarHBondContact O-N 3.36Å; H9-I11 VanDerWaalsContact C-N 3.33Å; H9-I11 PolarHBondContact O-N 3Å; H9-Y12 PolarHBondContact O-N 3.19Å; H9-E13 IonicContact ND1-OE2 3.99Å; H9-E13 WeakPolarHBondContact O-CB 3.49Å; H9-E13 PolarHBondContact O-N 2.96Å; H9-L80 WeakPolarHBondContact NE2-CD2 3.36Å
10A97Very high95.4Very high32 Ų3270.1 Ų70.126%0.26434%0.335SS..Hα-helixtrans-60.6-39.4177.600000113K6 D7 Y14 I35 V37K6-A10 PolarHBondContact O-N 3.44Å; D7-A10 PolarHBondContact O-N 3.29Å; A10-Y14 WeakPolarHBondContact O-CB 3.3Å; A10-Y14 PolarHBondContact O-N 3.47Å; A10-I35 HydrophobicContact CB-CG2 4.32Å; A10-V37 HydrophobicContact CB-CG2 4.19Å
11I97.9Very high95.5Very high0 Ų066.8 Ų66.80%032%0.319CS..Hα-helixtrans-63.6-44.4175.9-66162.4000111.1M3 D7 R8 H9 L15 I35 V37 V42 A45 M46M3-I11 HydrophobicContact SD-CD1 4.1Å; D7-I11 WeakPolarHBondContact O-CD1 3.36Å; D7-I11 VanDerWaalsContact O-CG1 3.26Å; D7-I11 WeakPolarHBondContact O-CG1 3.44Å; D7-I11 PolarHBondContact O-N 3.38Å; R8-I11 PolarHBondContact O-N 3.01Å; H9-I11 VanDerWaalsContact C-N 3.33Å; H9-I11 PolarHBondContact O-N 3Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 PolarHBondContact O-N 2.89Å; I11-I35 HydrophobicContact CG1-CG2 4.38Å; I11-V37 HydrophobicContact CD1-CG1 4.01Å; I11-V37 HydrophobicContact CG1-CG1 4.31Å; I11-V42 HydrophobicContact CD1-CG2 4.2Å; I11-V42 HydrophobicContact CG1-CG2 4.14Å; I11-A45 HydrophobicContact CD1-CB 4.12Å; I11-A45 HydrophobicContact CG2-CB 4.02Å; I11-M46 HydrophobicContact CG2-CE 3.68Å
12Y97.7Very high96Very high9 Ų961.9 Ų61.94%0.03530%0.297CS..Hα-helixtrans-69.9-40.1-179-72.2-2.9000112.3R8 H9 L15 F16 A45 L49 L76 Y79R8-Y12 HydrophobicContact CG-CD2 4.28Å; R8-Y12 HydrophobicContact CG-CE1 4.29Å; R8-Y12 HydrophobicContact CG-CE2 3.8Å; R8-Y12 PolarHBondContact O-N 3.46Å; R8-Y12 VanDerWaalsContact O-N 3.11Å; H9-Y12 PolarHBondContact O-N 3.19Å; Y12-L15 PolarHBondContact O-N 3.42Å; Y12-F16 WeakPolarHBondContact O-CB 3.33Å; Y12-F16 PolarHBondContact O-N 3.32Å; Y12-A45 HydrophobicContact CE1-CB 4.32Å; Y12-L49 HydrophobicContact CD1-CD1 4.13Å; Y12-L49 HydrophobicContact CE1-CD1 3.74Å; Y12-L49 HydrophobicContact CE1-CD2 4.19Å; Y12-L49 HydrophobicContact CE1-CG 4.12Å; Y12-L76 HydrophobicContact CD1-CD2 4.15Å; Y12-L76 HydrophobicContact CD2-CD2 3.98Å; Y12-L76 HydrophobicContact CG-CD2 3.73Å; Y12-Y79 AromaticContact CD2-CD1 3.6Å; Y12-Y79 HydrophobicContact CD2-CD1 3.6Å; Y12-Y79 AromaticContact CD2-CE1 3.5Å; Y12-Y79 HydrophobicContact CD2-CE1 3.5Å; Y12-Y79 VanDerWaalsContact CD2-CE1 3.5Å; Y12-Y79 HydrophobicContact CD2-CG 4.25Å; Y12-Y79 HydrophobicContact CE2-CD1 4.11Å; Y12-Y79 HydrophobicContact CE2-CD2 4.49Å; Y12-Y79 AromaticContact CE2-CE1 3.85Å; Y12-Y79 HydrophobicContact CE2-CE1 3.85Å; Y12-Y79 HydrophobicContact CE2-CE2 4.24Å; Y12-Y79 HydrophobicContact CE2-CG 4.43Å; Y12-Y79 AromaticContact CE2-CZ 3.91Å
13E96Very high96.3Very high113 Ų11354.1 Ų54.153%0.52826%0.256SS..Hα-helixtrans-62.3-46.2175.4-173.6176.8177.200111.3H9 F16 K17H9-E13 IonicContact ND1-OE2 3.99Å; H9-E13 WeakPolarHBondContact O-CB 3.49Å; H9-E13 PolarHBondContact O-N 2.96Å; E13-F16 PolarHBondContact O-N 3.41Å; E13-K17 WeakPolarHBondContact O-CB 3.39Å; E13-K17 PolarHBondContact O-N 3.08Å
14Y97.1Very high96.5Very high51 Ų5157.5 Ų57.520%0.227%0.27CS..Hα-helixtrans-60.4-47.7174.8179.5-94.1000112A10 F16 K17 E18 D34 I35A10-Y14 WeakPolarHBondContact O-CB 3.3Å; A10-Y14 PolarHBondContact O-N 3.47Å; Y14-F16 VanDerWaalsContact C-N 3.31Å; Y14-F16 PolarHBondContact O-N 3.42Å; Y14-K17 PolarHBondContact O-N 2.9Å; Y14-E18 HydrophobicContact CD2-CG 4.25Å; Y14-E18 HydrophobicContact CE1-CG 4.26Å; Y14-E18 HydrophobicContact CE2-CG 3.81Å; Y14-E18 PolarHBondContact O-N 2.97Å; Y14-D34 HydrophobicContact CE2-CB 3.86Å; Y14-D34 VanDerWaalsContact OH-CB 3.27Å; Y14-D34 WeakPolarHBondContact OH-CB 3.43Å; Y14-D34 PolarHBondContact OH-OD2 3.22Å; Y14-I35 HydrophobicContact CD1-CD1 3.6Å; Y14-I35 HydrophobicContact CD1-CG1 3.6Å; Y14-I35 HydrophobicContact CD2-CG1 3.89Å; Y14-I35 HydrophobicContact CE1-CD1 4.19Å; Y14-I35 HydrophobicContact CE1-CG1 4.11Å; Y14-I35 HydrophobicContact CE2-CG1 4.36Å; Y14-I35 HydrophobicContact CG-CD1 3.92Å; Y14-I35 HydrophobicContact CG-CG1 3.49Å; Y14-I35 VanDerWaalsContact CG-CG1 3.49Å
15L96.8Very high96.5Very high0 Ų058.6 Ų58.60%027%0.269CS..Hα-helixtrans-60.9-40.3179178.762.6000111.9I11 Y12 G19 C21 M46 L49 V55 L68 L76I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 PolarHBondContact O-N 2.89Å; Y12-L15 PolarHBondContact O-N 3.42Å; L15-G19 WeakPolarHBondContact O-CA 3.47Å; L15-G19 PolarHBondContact O-N 3.49Å; L15-C21 HydrophobicContact CD1-CB 3.95Å; L15-M46 HydrophobicContact CB-CE 3.96Å; L15-M46 HydrophobicContact CD1-CE 4.04Å; L15-M46 HydrophobicContact CD1-SD 4.35Å; L15-M46 HydrophobicContact CD2-CE 3.73Å; L15-M46 HydrophobicContact CD2-SD 3.83Å; L15-M46 HydrophobicContact CG-CE 4.11Å; L15-L49 HydrophobicContact CD2-CD1 3.59Å; L15-V55 HydrophobicContact CD2-CG2 3.88Å; L15-L68 HydrophobicContact CD1-CB 4.39Å; L15-L68 HydrophobicContact CD2-CD1 4.03Å; L15-L68 HydrophobicContact CG-CD1 4.16Å; L15-L76 HydrophobicContact CB-CD1 4.43Å; L15-L76 HydrophobicContact CD2-CD1 3.89Å; L15-L76 HydrophobicContact CG-CD1 4.08Å
16F95.9Very high96.5Very high4 Ų452.9 Ų52.92%0.01825%0.246CC..Hα-helixtrans-70.9-37.8178.1-171.8-98.5000112.2Y12 E13 Y14 L68 L76 R77 L80 L82 I86 P88Y12-F16 WeakPolarHBondContact O-CB 3.33Å; Y12-F16 PolarHBondContact O-N 3.32Å; E13-F16 PolarHBondContact O-N 3.41Å; Y14-F16 VanDerWaalsContact C-N 3.31Å; Y14-F16 PolarHBondContact O-N 3.42Å; F16-L68 HydrophobicContact CD2-CD2 4.31Å; F16-L76 HydrophobicContact CB-CD1 4.15Å; F16-L76 HydrophobicContact CD2-CB 3.86Å; F16-L76 HydrophobicContact CD2-CD1 4.39Å; F16-R77 HydrophobicContact CE2-CB 4.44Å; F16-L80 HydrophobicContact CB-CD1 4.03Å; F16-L80 HydrophobicContact CG-CD1 4.45Å; F16-L82 HydrophobicContact CD1-CD1 3.33Å; F16-L82 HydrophobicContact CE1-CD1 3.38Å; F16-L82 HydrophobicContact CG-CD1 4.03Å; F16-L82 HydrophobicContact CZ-CD1 4.13Å; F16-I86 HydrophobicContact CD1-CG2 4.46Å; F16-I86 HydrophobicContact CE1-CB 4.17Å; F16-I86 HydrophobicContact CE1-CG2 3.7Å; F16-I86 WeakPolarHBondContact CZ-O 3.11Å; F16-P88 WeakPolarHBondContact O-CA 3.49Å; F16-P88 VanDerWaalsContact O-CB 3.23Å; F16-P88 WeakPolarHBondContact O-CB 3.1Å
17K94.6Very high96.4Very high142 Ų14248.1 Ų48.162%0.61723%0.225SC*.Hα-helixtrans-65.6-52.1178.4-178-177.4170.9-175.90111.8E13 Y14 A89E13-K17 WeakPolarHBondContact O-CB 3.39Å; E13-K17 PolarHBondContact O-N 3.08Å; Y14-K17 PolarHBondContact O-N 2.9Å; K17-A89 WeakPolarHBondContact O-CB 3.45Å; K17-A89 PolarHBondContact O-N 3.25Å
18E95.3Very high96.3Very high73 Ų7354.1 Ų54.134%0.34125%0.252SS..Hα-helixtrans-83.8-28.8-175.4-62.3-53.9131.600112.4Y14 I20 T90Y14-E18 HydrophobicContact CD2-CG 4.25Å; Y14-E18 HydrophobicContact CE1-CG 4.26Å; Y14-E18 HydrophobicContact CE2-CG 3.81Å; Y14-E18 PolarHBondContact O-N 2.97Å; E18-I20 PolarHBondContact O-N 3.46Å; E18-T90 WeakPolarHBondContact O-CG2 3.3Å
19G95.4Very high96.1Very high1 Ų153 Ų531%0.0125%0.251CS..SBendtrans75.5-6.2-172.800000114.1L15 L68L15-G19 WeakPolarHBondContact O-CA 3.47Å; L15-G19 PolarHBondContact O-N 3.49Å; G19-L68 WeakPolarHBondContact O-CB 3.38Å; G19-L68 PolarHBondContact O-N 3.35Å
20I95.4Very high95.9Very high71 Ų7152.7 Ų52.736%0.36426%0.261SS..EExtended strand (participates in β ladder)trans-137.5142.4180-61.3173.1000108.7E18 V22 W66 M67 T90E18-I20 PolarHBondContact O-N 3.46Å; I20-V22 HydrophobicContact CG2-CG2 4.27Å; I20-W66 CarbonylContact C-O 3.59Å; I20-W66 VanDerWaalsContact CA-O 3.25Å; I20-W66 WeakPolarHBondContact CA-O 3.35Å; I20-W66 WeakPolarHBondContact CG2-O 3.25Å; I20-M67 HydrophobicContact CG1-CG 4.49Å; I20-T90 HydrophobicContact CD1-CG2 3.73Å; I20-T90 HydrophobicContact CG1-CG2 3.72Å
21C97.2Very high95.8Very high1 Ų158.3 Ų58.31%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-130.7139.3168.2-175.20000109.9L15 M46 W66L15-C21 HydrophobicContact CD1-CB 3.95Å; C21-M46 HydrophobicContact CB-CE 3.5Å; C21-M46 HydrophobicContact CB-SD 4.2Å; C21-W66 HydrophobicContact CB-CB 4.37Å; C21-W66 HydrophobicContact CB-CE3 4.16Å; C21-W66 PolarHBondContact N-O 3.2Å; C21-W66 WeakPolarHBondContact O-CB 3.18Å; C21-W66 PolarHBondContact O-N 2.98Å
22V97.3Very high95.7Very high30 Ų3058.7 Ų58.718%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-123.4131.4177.7179.70000107.9I20 H32 Y64 Y65I20-V22 HydrophobicContact CG2-CG2 4.27Å; V22-H32 PolarHBondContact O-CE1 3.13Å; V22-H32 PolarHBondContact O-NE2 2.7Å; V22-Y64 CarbonylContact C-O 3.56Å; V22-Y64 VanDerWaalsContact CA-O 3.22Å; V22-Y64 WeakPolarHBondContact CA-O 3.21Å; V22-Y64 WeakPolarHBondContact CG1-O 3.21Å; V22-Y65 HydrophobicContact CB-CD1 4.42Å; V22-Y65 HydrophobicContact CG1-CD1 3.99Å; V22-Y65 HydrophobicContact CG1-CE1 3.82Å; V22-Y65 HydrophobicContact CG2-CD1 3.63Å; V22-Y65 HydrophobicContact CG2-CE1 4.03Å
23A98Very high95.4Very high1 Ų167.3 Ų67.31%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-135.5138.9171.400000112.1V42 I43 H63 Y64 W66A23-V42 HydrophobicContact CB-CG1 4.3Å; A23-I43 HydrophobicContact CB-CG1 4.24Å; A23-H63 CarbonylContact O-C 3.52Å; A23-H63 WeakPolarHBondContact O-CA 3.47Å; A23-Y64 PolarHBondContact N-O 3Å; A23-Y64 PolarHBondContact O-N 3.04Å; A23-W66 HydrophobicContact CB-CH2 3.86Å; A23-W66 HydrophobicContact CB-CZ3 3.46Å; A23-W66 VanDerWaalsContact CB-CZ3 3.46Å
24K97Very high95.3Very high86 Ų8665 Ų6537%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-65.9137.9167.7-171.1-179.9-177.2-1750108.8D26 M29 N39K24-D26 HydrophobicContact CD-CB 4.31Å; K24-D26 HydrophobicContact CG-CB 4.25Å; K24-D26 PolarHBondContact O-N 3.2Å; K24-M29 HydrophobicContact CB-CE 4.21Å; K24-M29 HydrophobicContact CD-CE 3.8Å; K24-N39 PolarHBondContact O-ND2 3.09Å
25K96.6Very high95.1Very high83 Ų8364 Ų6436%0.36130%0.303SS..SBendtrans-72.876170.8-173.3-179.5-179.6-172.20109.8F27 F59 R62 Y64K25-F27 HydrophobicContact CG-CE2 4.22Å; K25-F27 HydrophobicContact CG-CZ 4.29Å; K25-F59 HydrophobicContact CB-CE2 3.9Å; K25-F59 HydrophobicContact CB-CZ 4.2Å; K25-F59 HydrophobicContact CD-CE2 3.9Å; K25-F59 HydrophobicContact CD-CZ 3.57Å; K25-F59 HydrophobicContact CG-CE2 4.47Å; K25-R62 WeakPolarHBondContact CB-O 3.41Å; K25-R62 PolarHBondContact N-O 3.38Å; K25-Y64 HydrophobicContact CB-CD2 4.2Å; K25-Y64 HydrophobicContact CB-CE2 3.56Å; K25-Y64 HydrophobicContact CD-CE2 4.23Å; K25-Y64 WeakPolarHBondContact CD-OH 3.4Å; K25-Y64 HydrophobicContact CG-CE2 3.69Å
26D95.6Very high94.9Very high45 Ų4566.2 Ų66.224%0.24133%0.326CS..  trans-141108.3176.3-174.8-15.8000108.5K24 H28 M29 N39K24-D26 HydrophobicContact CD-CB 4.31Å; K24-D26 HydrophobicContact CG-CB 4.25Å; K24-D26 PolarHBondContact O-N 3.2Å; D26-H28 VanDerWaalsContact C-N 3.32Å; D26-H28 PolarHBondContact OD1-N 3.09Å; D26-M29 HydrophobicContact CB-CB 4.22Å; D26-M29 HydrophobicContact CB-CE 4.31Å; D26-M29 PolarHBondContact OD1-N 2.83Å; D26-N39 PolarHBondContact O-ND2 3.31Å
27F94.1Very high94.8Very high75 Ų7566.6 Ų66.633%0.32933%0.328SS..SBendtrans-81.6-12.9-175.7-58.1-73.3000113.1K25 L40 I43K25-F27 HydrophobicContact CG-CE2 4.22Å; K25-F27 HydrophobicContact CG-CZ 4.29Å; F27-L40 HydrophobicContact CB-CD1 4.25Å; F27-L40 HydrophobicContact CD1-CD1 3.66Å; F27-L40 HydrophobicContact CG-CD1 4.39Å; F27-I43 HydrophobicContact CD1-CD1 3.86Å; F27-I43 HydrophobicContact CE1-CB 4.41Å; F27-I43 HydrophobicContact CE1-CD1 3.85Å; F27-I43 HydrophobicContact CE1-CG2 3.82Å
28H94.6Very high94.9Very high168 Ų16863 Ų6378%0.77831%0.314SS*.SBendtrans-98.1-10.3-177.6-59.6-68.6000112.9D26 A30D26-H28 VanDerWaalsContact C-N 3.32Å; D26-H28 PolarHBondContact OD1-N 3.09Å; H28-A30 PolarHBondContact O-N 3.21Å; H28-A30 VanDerWaalsContact O-N 3.11Å
29M92.9Very high94.9Very high55 Ų5559.5 Ų59.527%0.27130%0.298SS..  trans-61.6114.1176.9-179.2-174.8-66.900111.4K24 D26 K31 N39K24-M29 HydrophobicContact CB-CE 4.21Å; K24-M29 HydrophobicContact CD-CE 3.8Å; D26-M29 HydrophobicContact CB-CB 4.22Å; D26-M29 HydrophobicContact CB-CE 4.31Å; D26-M29 PolarHBondContact OD1-N 2.83Å; M29-K31 VanDerWaalsContact C-N 3.28Å; M29-K31 VanDerWaalsContact CG-O 3.25Å; M29-K31 WeakPolarHBondContact CG-O 3.44Å; M29-K31 PolarHBondContact O-N 3.23Å; M29-K31 VanDerWaalsContact SD-O 3.37Å; M29-N39 HydrophobicContact CB-CB 3.79Å; M29-N39 HydrophobicContact CG-CB 4.06Å; M29-N39 WeakPolarHBondContact O-CB 3.39Å; M29-N39 PolarHBondContact O-N 3.15Å; M29-N39 VanDerWaalsContact O-N 3.13Å; M29-N39 HydrophobicContact SD-CB 4.11Å
30A92.3Very high95Very high67 Ų6761.7 Ų61.755%0.55431%0.309SS*.SBendtrans-63.3-30.6-173.400000114.2H28 H38H28-A30 PolarHBondContact O-N 3.21Å; H28-A30 VanDerWaalsContact O-N 3.11Å; A30-H38 VanDerWaalsContact O-CA 3.3Å; A30-H38 WeakPolarHBondContact O-CA 3.4Å; A30-H38 PolarHBondContact O-CD2 3.29Å; A30-H38 VanDerWaalsContact O-CD2 3.25Å
31K94.5Very high95.1Very high149 Ų14961.1 Ų61.165%0.64830%0.302SS*.SBendtrans-138.9133179.2-67.4-174.3179.5-179.80111M29 V37M29-K31 VanDerWaalsContact C-N 3.28Å; M29-K31 VanDerWaalsContact CG-O 3.25Å; M29-K31 WeakPolarHBondContact CG-O 3.44Å; M29-K31 PolarHBondContact O-N 3.23Å; M29-K31 VanDerWaalsContact SD-O 3.37Å; K31-V37 CarbonylContact C-O 3.56Å
32H95.8Very high95.1Very high9 Ų961 Ų614%0.04230%0.302CS..  trans-69.8138.9167.6-172.361.7000109.9V22 D34 G36 V37 N39 V42V22-H32 PolarHBondContact O-CE1 3.13Å; V22-H32 PolarHBondContact O-NE2 2.7Å; H32-D34 VanDerWaalsContact C-N 3.27Å; H32-D34 PolarHBondContact CD2-N 2.99Å; H32-D34 IonicContact NE2-OD2 3.7Å; H32-D34 PolarHBondContact O-N 3.07Å; H32-G36 PolarHBondContact O-N 3.38Å; H32-G36 VanDerWaalsContact O-N 3.17Å; H32-V37 VanDerWaalsContact CB-O 3.25Å; H32-V37 WeakPolarHBondContact CB-O 3.32Å; H32-V37 PolarHBondContact N-O 3.43Å; H32-N39 PolarHBondContact ND1-OD1 3.09Å; H32-V42 HydrophobicContact CB-CG2 3.8Å
33R91.9Very high95.1Very high189 Ų18959.9 Ų59.971%0.71330%0.295SS*.THydrogen-bonded Turntrans-54.9-41.5-172.4-168.9-173.665.1-148.8-8.1112.8
34D92.1Very high95Very high64 Ų6463.5 Ų63.534%0.34231%0.31SS..THydrogen-bonded Turntrans-104.8-21.7-167.9-52.8-30000113.7Y14 H32Y14-D34 HydrophobicContact CE2-CB 3.86Å; Y14-D34 VanDerWaalsContact OH-CB 3.27Å; Y14-D34 WeakPolarHBondContact OH-CB 3.43Å; Y14-D34 PolarHBondContact OH-OD2 3.22Å; H32-D34 VanDerWaalsContact C-N 3.27Å; H32-D34 PolarHBondContact CD2-N 2.99Å; H32-D34 IonicContact NE2-OD2 3.7Å; H32-D34 PolarHBondContact O-N 3.07Å
35I92.7Very high95.1Very high30 Ų3059.5 Ų59.515%0.15429%0.293CS..THydrogen-bonded Turntrans-108.6-21.1-172.2-56.2163.5000112.1A10 I11 Y14 V37 V42A10-I35 HydrophobicContact CB-CG2 4.32Å; I11-I35 HydrophobicContact CG1-CG2 4.38Å; Y14-I35 HydrophobicContact CD1-CD1 3.6Å; Y14-I35 HydrophobicContact CD1-CG1 3.6Å; Y14-I35 HydrophobicContact CD2-CG1 3.89Å; Y14-I35 HydrophobicContact CE1-CD1 4.19Å; Y14-I35 HydrophobicContact CE1-CG1 4.11Å; Y14-I35 HydrophobicContact CE2-CG1 4.36Å; Y14-I35 HydrophobicContact CG-CD1 3.92Å; Y14-I35 HydrophobicContact CG-CG1 3.49Å; Y14-I35 VanDerWaalsContact CG-CG1 3.49Å; I35-V37 HydrophobicContact CG2-CB 4.04Å; I35-V37 HydrophobicContact CG2-CG2 3.8Å; I35-V37 PolarHBondContact O-N 3.08Å; I35-V42 HydrophobicContact CD1-CG1 4.34Å; I35-V42 HydrophobicContact CD1-CG2 4.08Å
36G92.7Very high95.1Very high48 Ų4855.6 Ų55.650%0.49528%0.276SS..  trans71.62.8-176.500000115.5H32H32-G36 PolarHBondContact O-N 3.38Å; H32-G36 VanDerWaalsContact O-N 3.17Å
37V95.3Very high95.2Very high11 Ų1158 Ų587%0.06729%0.286CS..SBendtrans-92155.7174.7172.10000110.6D7 A10 I11 K31 H32 I35 N39 Y41D7-V37 HydrophobicContact CB-CG1 3.73Å; D7-V37 HydrophobicContact CB-CG2 4.14Å; A10-V37 HydrophobicContact CB-CG2 4.19Å; I11-V37 HydrophobicContact CD1-CG1 4.01Å; I11-V37 HydrophobicContact CG1-CG1 4.31Å; K31-V37 CarbonylContact C-O 3.56Å; H32-V37 VanDerWaalsContact CB-O 3.25Å; H32-V37 WeakPolarHBondContact CB-O 3.32Å; H32-V37 PolarHBondContact N-O 3.43Å; I35-V37 HydrophobicContact CG2-CB 4.04Å; I35-V37 HydrophobicContact CG2-CG2 3.8Å; I35-V37 PolarHBondContact O-N 3.08Å; V37-N39 PolarHBondContact O-N 2.87Å; V37-Y41 HydrophobicContact CG1-CD2 3.85Å; V37-Y41 HydrophobicContact CG1-CG 4.35Å
38H95.7Very high95.3Very high67 Ų6756.1 Ų56.131%0.3128%0.283SS..  trans-53.1132.4177.5-147.8-83.5000112.3A30 L40 Y41 V42A30-H38 VanDerWaalsContact O-CA 3.3Å; A30-H38 WeakPolarHBondContact O-CA 3.4Å; A30-H38 PolarHBondContact O-CD2 3.29Å; A30-H38 VanDerWaalsContact O-CD2 3.25Å; H38-L40 PolarHBondContact O-N 3.48Å; H38-Y41 HydrophobicContact CB-CD1 4.47Å; H38-Y41 HydrophobicContact CB-CD2 4.06Å; H38-Y41 HydrophobicContact CB-CE2 4.35Å; H38-Y41 HydrophobicContact CB-CG 4.14Å; H38-Y41 WeakPolarHBondContact O-CB 3.16Å; H38-Y41 PolarHBondContact O-N 2.9Å; H38-V42 PolarHBondContact O-N 3.39Å
39N96.6Very high95.5Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-64.5-32.7-172.1-166.958.2000112.3K24 D26 M29 H32 V37 Y41 V42 I43K24-N39 PolarHBondContact O-ND2 3.09Å; D26-N39 PolarHBondContact O-ND2 3.31Å; M29-N39 HydrophobicContact CB-CB 3.79Å; M29-N39 HydrophobicContact CG-CB 4.06Å; M29-N39 WeakPolarHBondContact O-CB 3.39Å; M29-N39 PolarHBondContact O-N 3.15Å; M29-N39 VanDerWaalsContact O-N 3.13Å; M29-N39 HydrophobicContact SD-CB 4.11Å; H32-N39 PolarHBondContact ND1-OD1 3.09Å; V37-N39 PolarHBondContact O-N 2.87Å; N39-Y41 VanDerWaalsContact C-N 3.25Å; N39-Y41 PolarHBondContact O-N 3.39Å; N39-V42 PolarHBondContact O-N 3.18Å; N39-I43 WeakPolarHBondContact O-CG1 3.36Å; N39-I43 PolarHBondContact O-N 3.2Å
40L96.3Very high95.7Very high47 Ų4749.3 Ų49.325%0.24625%0.249CC..Hα-helixtrans-54.2-40.9170.6177.961.6000112.5M1 F27 H38 I43 K44M1-L40 HydrophobicContact CE-CD2 4.12Å; M1-L40 HydrophobicContact CE-CG 4.14Å; F27-L40 HydrophobicContact CB-CD1 4.25Å; F27-L40 HydrophobicContact CD1-CD1 3.66Å; F27-L40 HydrophobicContact CG-CD1 4.39Å; H38-L40 PolarHBondContact O-N 3.48Å; L40-I43 PolarHBondContact O-N 2.92Å; L40-K44 HydrophobicContact CD1-CG 3.84Å; L40-K44 HydrophobicContact CG-CG 4.39Å; L40-K44 WeakPolarHBondContact O-CB 3.48Å; L40-K44 VanDerWaalsContact O-CG 3.24Å; L40-K44 WeakPolarHBondContact O-CG 3.37Å; L40-K44 PolarHBondContact O-N 3.05Å
41Y97Very high96Very high58 Ų5850.1 Ų50.123%0.22725%0.251CS..Hα-helixtrans-68-41.6-179.6-65.5-5.7000110.7M1 M3 P4 D7 V37 H38 N39 K44 A45M1-Y41 HydrophobicContact CE-CD1 3.22Å; M1-Y41 HydrophobicContact CE-CE1 3.22Å; M1-Y41 HydrophobicContact CE-CG 4.47Å; M3-Y41 HydrophobicContact CE-CG 4.26Å; M3-Y41 WeakPolarHBondContact CE-O 3.42Å; M3-Y41 HydrophobicContact CG-CD1 4.48Å; M3-Y41 HydrophobicContact CG-CD2 4.03Å; M3-Y41 HydrophobicContact CG-CE2 4.49Å; M3-Y41 HydrophobicContact CG-CG 4.01Å; M3-Y41 HydrophobicContact SD-CG 4.47Å; P4-Y41 HydrophobicContact CG-CE2 4.15Å; D7-Y41 HydrophobicContact CB-CD2 4.04Å; D7-Y41 WeakPolarHBondContact OD2-CD2 3.23Å; D7-Y41 VanDerWaalsContact OD2-CE2 3.3Å; D7-Y41 WeakPolarHBondContact OD2-CE2 3.33Å; V37-Y41 HydrophobicContact CG1-CD2 3.85Å; V37-Y41 HydrophobicContact CG1-CG 4.35Å; H38-Y41 HydrophobicContact CB-CD1 4.47Å; H38-Y41 HydrophobicContact CB-CD2 4.06Å; H38-Y41 HydrophobicContact CB-CE2 4.35Å; H38-Y41 HydrophobicContact CB-CG 4.14Å; H38-Y41 WeakPolarHBondContact O-CB 3.16Å; H38-Y41 PolarHBondContact O-N 2.9Å; N39-Y41 VanDerWaalsContact C-N 3.25Å; N39-Y41 PolarHBondContact O-N 3.39Å; Y41-K44 PolarHBondContact O-N 2.82Å; Y41-A45 WeakPolarHBondContact O-CB 3.33Å; Y41-A45 PolarHBondContact O-N 3.18Å
42V97.6Very high96.1Very high0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-57.8-52.5174-1750000110.5I11 A23 H32 I35 H38 N39 K44 A45 M46 W66I11-V42 HydrophobicContact CD1-CG2 4.2Å; I11-V42 HydrophobicContact CG1-CG2 4.14Å; A23-V42 HydrophobicContact CB-CG1 4.3Å; H32-V42 HydrophobicContact CB-CG2 3.8Å; I35-V42 HydrophobicContact CD1-CG1 4.34Å; I35-V42 HydrophobicContact CD1-CG2 4.08Å; H38-V42 PolarHBondContact O-N 3.39Å; N39-V42 PolarHBondContact O-N 3.18Å; V42-K44 VanDerWaalsContact C-N 3.32Å; V42-K44 PolarHBondContact O-N 3.37Å; V42-A45 PolarHBondContact O-N 3.15Å; V42-M46 HydrophobicContact CG1-CG 4.3Å; V42-M46 WeakPolarHBondContact O-CB 3.33Å; V42-M46 WeakPolarHBondContact O-CG 3.49Å; V42-M46 PolarHBondContact O-N 3.06Å; V42-W66 HydrophobicContact CG1-CZ3 4.23Å
43I97.4Very high96.2Very high6 Ų654.1 Ų54.13%0.03127%0.27CS..Hα-helixtrans-60.3-42.7-178.5-62.4164000111.2A23 F27 N39 L40 Q47 Y64 W66A23-I43 HydrophobicContact CB-CG1 4.24Å; F27-I43 HydrophobicContact CD1-CD1 3.86Å; F27-I43 HydrophobicContact CE1-CB 4.41Å; F27-I43 HydrophobicContact CE1-CD1 3.85Å; F27-I43 HydrophobicContact CE1-CG2 3.82Å; N39-I43 WeakPolarHBondContact O-CG1 3.36Å; N39-I43 PolarHBondContact O-N 3.2Å; L40-I43 PolarHBondContact O-N 2.92Å; I43-Q47 VanDerWaalsContact O-CB 3.23Å; I43-Q47 WeakPolarHBondContact O-CB 3.34Å; I43-Q47 PolarHBondContact O-N 2.97Å; I43-Y64 HydrophobicContact CD1-CE2 4.37Å; I43-Y64 HydrophobicContact CG1-CD2 4.3Å; I43-Y64 HydrophobicContact CG1-CE2 4.33Å; I43-Y64 HydrophobicContact CG2-CE2 4.08Å; I43-W66 HydrophobicContact CB-CH2 4.43Å; I43-W66 HydrophobicContact CG1-CH2 4.16Å
44K97.1Very high96.5Very high76 Ų7647.7 Ų47.733%0.3325%0.246SC..Hα-helixtrans-74.9-35.6-177.8-66.5-71.1171.8-167.60113M1 L40 Y41 V42 S48M1-K44 HydrophobicContact SD-CB 3.8Å; M1-K44 HydrophobicContact SD-CD 4.4Å; M1-K44 HydrophobicContact SD-CG 3.63Å; L40-K44 HydrophobicContact CD1-CG 3.84Å; L40-K44 HydrophobicContact CG-CG 4.39Å; L40-K44 WeakPolarHBondContact O-CB 3.48Å; L40-K44 VanDerWaalsContact O-CG 3.24Å; L40-K44 WeakPolarHBondContact O-CG 3.37Å; L40-K44 PolarHBondContact O-N 3.05Å; Y41-K44 PolarHBondContact O-N 2.82Å; V42-K44 VanDerWaalsContact C-N 3.32Å; V42-K44 PolarHBondContact O-N 3.37Å; K44-S48 PolarHBondContact O-N 3.18Å; K44-S48 VanDerWaalsContact O-N 3.14Å
45A97.3Very high96.8Very high3 Ų344.8 Ų44.83%0.02523%0.231CC..Hα-helixtrans-62-48.7171.300000110.6M3 I11 Y12 Y41 V42 S48 L49M3-A45 HydrophobicContact CE-CB 4.02Å; M3-A45 HydrophobicContact SD-CB 4.44Å; I11-A45 HydrophobicContact CD1-CB 4.12Å; I11-A45 HydrophobicContact CG2-CB 4.02Å; Y12-A45 HydrophobicContact CE1-CB 4.32Å; Y41-A45 WeakPolarHBondContact O-CB 3.33Å; Y41-A45 PolarHBondContact O-N 3.18Å; V42-A45 PolarHBondContact O-N 3.15Å; A45-S48 WeakPolarHBondContact O-CB 3.41Å; A45-S48 PolarHBondContact O-N 2.8Å; A45-S48 VanDerWaalsContact O-N 3.16Å; A45-S48 PolarHBondContact O-OG 3.14Å; A45-L49 PolarHBondContact O-N 2.63Å
46M97.8Very high97Very high0 Ų050.3 Ų50.30%025%0.254CS..Hα-helixtrans-66.9-39-179.8-64.9-70.6167.700112.4I11 L15 C21 V42 S48 L49 K50 W66I11-M46 HydrophobicContact CG2-CE 3.68Å; L15-M46 HydrophobicContact CB-CE 3.96Å; L15-M46 HydrophobicContact CD1-CE 4.04Å; L15-M46 HydrophobicContact CD1-SD 4.35Å; L15-M46 HydrophobicContact CD2-CE 3.73Å; L15-M46 HydrophobicContact CD2-SD 3.83Å; L15-M46 HydrophobicContact CG-CE 4.11Å; C21-M46 HydrophobicContact CB-CE 3.5Å; C21-M46 HydrophobicContact CB-SD 4.2Å; V42-M46 HydrophobicContact CG1-CG 4.3Å; V42-M46 WeakPolarHBondContact O-CB 3.33Å; V42-M46 WeakPolarHBondContact O-CG 3.49Å; V42-M46 PolarHBondContact O-N 3.06Å; M46-S48 PolarHBondContact O-N 3.31Å; M46-L49 PolarHBondContact O-N 2.85Å; M46-L49 HydrophobicContact SD-CD1 4.37Å; M46-K50 WeakPolarHBondContact O-CB 3.32Å; M46-K50 PolarHBondContact O-N 3.16Å; M46-W66 HydrophobicContact CB-CD2 3.53Å; M46-W66 HydrophobicContact CB-CE3 3.86Å; M46-W66 HydrophobicContact CB-CG 4.09Å; M46-W66 HydrophobicContact CB-CH2 3.82Å; M46-W66 HydrophobicContact CB-CZ2 3.51Å; M46-W66 HydrophobicContact CB-CZ3 3.98Å; M46-W66 HydrophobicContact CG-CD2 3.65Å; M46-W66 HydrophobicContact CG-CE3 3.52Å; M46-W66 HydrophobicContact CG-CG 4.25Å; M46-W66 HydrophobicContact CG-CH2 4.05Å; M46-W66 HydrophobicContact CG-CZ2 4.2Å; M46-W66 HydrophobicContact CG-CZ3 3.71Å; M46-W66 HydrophobicContact SD-CB 4.21Å; M46-W66 HydrophobicContact SD-CD2 4.12Å; M46-W66 HydrophobicContact SD-CE3 4.15Å; M46-W66 HydrophobicContact SD-CG 4.15Å
47Q97.3Very high97.3Very high95 Ų9550.8 Ų50.844%0.44424%0.243SC..Hα-helixtrans-56.4-41172.5-175.2176.914.800111.3I43 S51I43-Q47 VanDerWaalsContact O-CB 3.23Å; I43-Q47 WeakPolarHBondContact O-CB 3.34Å; I43-Q47 PolarHBondContact O-N 2.97Å; Q47-S51 PolarHBondContact O-N 2.81Å; Q47-S51 VanDerWaalsContact O-N 3.08Å
48S96.9Very high97.4Very high37 Ų3756 Ų5626%0.25927%0.266SS..Hα-helixtrans-68.2-40.8177.276.80000113K44 A45 M46 S51K44-S48 PolarHBondContact O-N 3.18Å; K44-S48 VanDerWaalsContact O-N 3.14Å; A45-S48 WeakPolarHBondContact O-CB 3.41Å; A45-S48 PolarHBondContact O-N 2.8Å; A45-S48 VanDerWaalsContact O-N 3.16Å; A45-S48 PolarHBondContact O-OG 3.14Å; M46-S48 PolarHBondContact O-N 3.31Å; S48-S51 PolarHBondContact O-N 2.85Å; S48-S51 PolarHBondContact O-OG 3.49Å
49L97.9Very high97.6Very high1 Ų157.3 Ų57.31%0.00527%0.272CS..Hα-helixtrans-67-41.4176.8-67.3177.9000111.5Y12 L15 A45 M46 S51 R52 D53 Y54 V55 Y75Y12-L49 HydrophobicContact CD1-CD1 4.13Å; Y12-L49 HydrophobicContact CE1-CD1 3.74Å; Y12-L49 HydrophobicContact CE1-CD2 4.19Å; Y12-L49 HydrophobicContact CE1-CG 4.12Å; L15-L49 HydrophobicContact CD2-CD1 3.59Å; A45-L49 PolarHBondContact O-N 2.63Å; M46-L49 PolarHBondContact O-N 2.85Å; M46-L49 HydrophobicContact SD-CD1 4.37Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-S51 PolarHBondContact O-N 3.32Å; L49-R52 CarbonylContact O-C 3.52Å; L49-R52 PolarHBondContact O-N 3.25Å; L49-R52 VanDerWaalsContact O-N 3.13Å; L49-D53 PolarHBondContact O-N 2.93Å; L49-Y54 HydrophobicContact CD2-CD2 3.83Å; L49-Y54 PolarHBondContact O-N 3.45Å; L49-Y54 VanDerWaalsContact O-N 3.15Å; L49-V55 HydrophobicContact CB-CB 4.38Å; L49-V55 HydrophobicContact CB-CG2 3.92Å; L49-V55 HydrophobicContact CD1-CG2 4.15Å; L49-Y75 HydrophobicContact CD2-CD1 4.18Å; L49-Y75 HydrophobicContact CD2-CE1 3.82Å
50K97.9Very high97.6Very high78 Ų7859.3 Ų59.334%0.33929%0.288SS..Hα-helixtrans-61-39.4175.2-171.6-165.778.871.30112.2M46 R52 D53 E57M46-K50 WeakPolarHBondContact O-CB 3.32Å; M46-K50 PolarHBondContact O-N 3.16Å; K50-R52 PolarHBondContact O-N 3.04Å; K50-R52 VanDerWaalsContact O-N 3.09Å; K50-D53 PolarHBondContact O-N 3.47Å; K50-D53 VanDerWaalsContact O-N 3.09Å; K50-E57 HydrophobicContact CD-CB 3.44Å; K50-E57 VanDerWaalsContact CD-CB 3.44Å; K50-E57 HydrophobicContact CD-CG 4.1Å; K50-E57 WeakPolarHBondContact CD-OE2 3.33Å; K50-E57 HydrophobicContact CG-CB 4.1Å
51S97.9Very high97.7Very high84 Ų8468.7 Ų68.759%0.58732%0.32SS*.THydrogen-bonded Turntrans-64.8-11.1178.368.50000114.2Q47 S48 L49Q47-S51 PolarHBondContact O-N 2.81Å; Q47-S51 VanDerWaalsContact O-N 3.08Å; S48-S51 PolarHBondContact O-N 2.85Å; S48-S51 PolarHBondContact O-OG 3.49Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-S51 PolarHBondContact O-N 3.32Å
52R97.2Very high97.7Very high128 Ų12873.7 Ų73.748%0.48334%0.339SS..THydrogen-bonded Turntrans-117.314.2178.1-56.4173.8-172.1177.6-1.4111.9L49 K50 Y54L49-R52 CarbonylContact O-C 3.52Å; L49-R52 PolarHBondContact O-N 3.25Å; L49-R52 VanDerWaalsContact O-N 3.13Å; K50-R52 PolarHBondContact O-N 3.04Å; K50-R52 VanDerWaalsContact O-N 3.09Å; R52-Y54 HydrophobicContact CB-CD2 3.86Å; R52-Y54 HydrophobicContact CB-CE2 3.77Å; R52-Y54 HydrophobicContact CB-CG 4.32Å; R52-Y54 HydrophobicContact CG-CE2 4.43Å; R52-Y54 WeakPolarHBondContact O-CD1 3.35Å; R52-Y54 PolarHBondContact O-N 3.31Å
53D97.5Very high97.7Very high114 Ų11476.3 Ų76.361%0.6135%0.351SS*.THydrogen-bonded Turntrans58.216.1179.5-60.6-52.9000116.7L49 K50 V55 T69L49-D53 PolarHBondContact O-N 2.93Å; K50-D53 PolarHBondContact O-N 3.47Å; K50-D53 VanDerWaalsContact O-N 3.09Å; D53-V55 PolarHBondContact O-N 3.34Å; D53-T69 PolarHBondContact O-OG1 2.97Å
54Y98.4Very high97.7Very high55 Ų5577.4 Ų77.422%0.21636%0.355CS..SBendtrans-70.5-16.9172.6-62.9-28.6000113.2L49 R52 T69 E71 G72 Y75L49-Y54 HydrophobicContact CD2-CD2 3.83Å; L49-Y54 PolarHBondContact O-N 3.45Å; L49-Y54 VanDerWaalsContact O-N 3.15Å; R52-Y54 HydrophobicContact CB-CD2 3.86Å; R52-Y54 HydrophobicContact CB-CE2 3.77Å; R52-Y54 HydrophobicContact CB-CG 4.32Å; R52-Y54 HydrophobicContact CG-CE2 4.43Å; R52-Y54 WeakPolarHBondContact O-CD1 3.35Å; R52-Y54 PolarHBondContact O-N 3.31Å; Y54-T69 WeakPolarHBondContact CA-OG1 3.34Å; Y54-T69 PolarHBondContact O-N 2.83Å; Y54-T69 VanDerWaalsContact O-N 3.07Å; Y54-T69 PolarHBondContact O-OG1 2.86Å; Y54-E71 HydrophobicContact CD1-CB 4.26Å; Y54-G72 VanDerWaalsContact CB-CA 3.46Å; Y54-G72 WeakPolarHBondContact O-CA 3.45Å; Y54-Y75 AromaticContact CD2-CD1 3.7Å; Y54-Y75 HydrophobicContact CD2-CD1 3.7Å; Y54-Y75 HydrophobicContact CD2-CD2 4.39Å; Y54-Y75 HydrophobicContact CD2-CE1 4.16Å; Y54-Y75 AromaticContact CD2-CG 3.83Å; Y54-Y75 HydrophobicContact CD2-CG 3.83Å; Y54-Y75 HydrophobicContact CE1-CG 4.32Å; Y54-Y75 AromaticContact CE2-CD1 3.73Å; Y54-Y75 HydrophobicContact CE2-CD1 3.73Å; Y54-Y75 AromaticContact CE2-CD2 3.59Å; Y54-Y75 HydrophobicContact CE2-CD2 3.59Å; Y54-Y75 HydrophobicContact CE2-CE1 4.08Å; Y54-Y75 AromaticContact CE2-CE2 3.93Å; Y54-Y75 HydrophobicContact CE2-CE2 3.93Å; Y54-Y75 AromaticContact CE2-CG 3.47Å; Y54-Y75 HydrophobicContact CE2-CG 3.47Å; Y54-Y75 VanDerWaalsContact CE2-CG 3.47Å; Y54-Y75 HydrophobicContact CG-CD1 4.39Å; Y54-Y75 HydrophobicContact CG-CG 4.39Å; Y54-Y75 AromaticContact CZ-CD2 3.74Å; Y54-Y75 AromaticContact CZ-CG 3.76Å
55V98.3Very high97.8Very high3 Ų378.2 Ų78.22%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-142.6136.4-178.2170.40000109L15 L49 D53 W66 M67 L68L15-V55 HydrophobicContact CD2-CG2 3.88Å; L49-V55 HydrophobicContact CB-CB 4.38Å; L49-V55 HydrophobicContact CB-CG2 3.92Å; L49-V55 HydrophobicContact CD1-CG2 4.15Å; D53-V55 PolarHBondContact O-N 3.34Å; V55-W66 HydrophobicContact CG1-CB 3.4Å; V55-W66 HydrophobicContact CG1-CG 3.74Å; V55-M67 CarbonylContact C-O 3.52Å; V55-M67 WeakPolarHBondContact CA-O 3.24Å; V55-L68 HydrophobicContact CG2-CD1 4.14Å
56K97.9Very high97.8Very high146 Ų14678.1 Ų78.164%0.63536%0.356SS*.EExtended strand (participates in β ladder)trans-87.6130.6166.6-78.5-178.3177.9-179.30110.2W66 M67 T69K56-W66 CarbonylContact O-C 3.54Å; K56-W66 WeakPolarHBondContact O-CA 3.47Å; K56-M67 PolarHBondContact N-O 2.92Å; K56-M67 PolarHBondContact O-N 2.98Å; K56-T69 HydrophobicContact CB-CG2 4.5Å; K56-T69 HydrophobicContact CD-CG2 4.47Å; K56-T69 HydrophobicContact CG-CG2 3.86Å
57E98.3Very high97.8Very high57 Ų5782.6 Ų82.627%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-103140.5177.4-176.3175.3101.600111K50 Y64 Y65 W66K50-E57 HydrophobicContact CD-CB 3.44Å; K50-E57 VanDerWaalsContact CD-CB 3.44Å; K50-E57 HydrophobicContact CD-CG 4.1Å; K50-E57 WeakPolarHBondContact CD-OE2 3.33Å; K50-E57 HydrophobicContact CG-CB 4.1Å; E57-Y64 HydrophobicContact CG-CD1 4.31Å; E57-Y65 CarbonylContact C-O 3.59Å; E57-Y65 WeakPolarHBondContact CA-O 3.26Å; E57-W66 PolarHBondContact OE2-NE1 2.88Å
58Q98.1Very high97.8Very high120 Ų12079.1 Ų79.156%0.56136%0.362SS*.EExtended strand (participates in β ladder)trans-127.7138.5163.1-68.2-66.6-6800107.8Y65 M67Q58-Y65 PolarHBondContact N-O 3.27Å; Q58-Y65 PolarHBondContact O-N 3.02Å; Q58-M67 HydrophobicContact CG-CE 4.16Å
59F98.2Very high97.8Very high96 Ų9678.6 Ų78.642%0.42136%0.357SS..EExtended strand (participates in β ladder)trans-127119.2-179.4-177.2-107.8000110.5K25 H63 Y64K25-F59 HydrophobicContact CB-CE2 3.9Å; K25-F59 HydrophobicContact CB-CZ 4.2Å; K25-F59 HydrophobicContact CD-CE2 3.9Å; K25-F59 HydrophobicContact CD-CZ 3.57Å; K25-F59 HydrophobicContact CG-CE2 4.47Å; F59-H63 WeakPolarHBondContact CA-O 3.38Å; F59-H63 WeakPolarHBondContact CD2-O 3.41Å; F59-Y64 HydrophobicContact CB-CD1 4.42Å; F59-Y64 AromaticContact CD2-CD1 3.45Å; F59-Y64 HydrophobicContact CD2-CD1 3.45Å; F59-Y64 VanDerWaalsContact CD2-CD1 3.45Å; F59-Y64 HydrophobicContact CD2-CD2 4.43Å; F59-Y64 AromaticContact CD2-CE1 3.52Å; F59-Y64 HydrophobicContact CD2-CE1 3.52Å; F59-Y64 AromaticContact CD2-CG 3.92Å; F59-Y64 HydrophobicContact CD2-CG 3.92Å; F59-Y64 HydrophobicContact CE2-CD1 4.09Å; F59-Y64 HydrophobicContact CE2-CD2 4.37Å; F59-Y64 AromaticContact CE2-CE1 3.89Å; F59-Y64 HydrophobicContact CE2-CE1 3.89Å; F59-Y64 HydrophobicContact CE2-CE2 4.2Å; F59-Y64 HydrophobicContact CE2-CG 4.3Å; F59-Y64 AromaticContact CE2-CZ 3.94Å; F59-Y64 HydrophobicContact CG-CD1 4.28Å; F59-Y64 HydrophobicContact CG-CE1 4.24Å
60A98.1Very high97.7Very high42 Ų4284.2 Ų84.235%0.34739%0.387SS..EExtended strand (participates in β ladder)trans-149.5144.6-179.700000110.2R62 H63 Y65A60-R62 PolarHBondContact O-N 3.19Å; A60-R62 VanDerWaalsContact O-N 3.12Å; A60-H63 PolarHBondContact N-O 3.11Å; A60-H63 WeakPolarHBondContact O-CA 3.37Å; A60-H63 PolarHBondContact O-N 2.92Å; A60-Y65 HydrophobicContact CB-CE2 4.44Å
61W96.9Very high97.6Very high243 Ų24386.5 Ų86.592%0.9240%0.399SS*.THydrogen-bonded Turntrans55.133.4174.2-60.178.7000114.6H63W61-H63 PolarHBondContact O-CD2 3.35Å; W61-H63 PolarHBondContact O-N 3.35Å
62R97.1Very high97.5Very high164 Ų16482.5 Ų82.562%0.61937%0.371SS*.THydrogen-bonded Turntrans64.122.5-172.7-54.7178.562-179.50.2114.6K25 A60K25-R62 WeakPolarHBondContact CB-O 3.41Å; K25-R62 PolarHBondContact N-O 3.38Å; A60-R62 PolarHBondContact O-N 3.19Å; A60-R62 VanDerWaalsContact O-N 3.12Å
63H98.3Very high97.4Very high54 Ų5477.3 Ų77.325%0.2535%0.353CS..EExtended strand (participates in β ladder)trans-118.6136.6172.9-75.3-112.8000110.5A23 F59 A60 W61 Y65A23-H63 CarbonylContact O-C 3.52Å; A23-H63 WeakPolarHBondContact O-CA 3.47Å; F59-H63 WeakPolarHBondContact CA-O 3.38Å; F59-H63 WeakPolarHBondContact CD2-O 3.41Å; A60-H63 PolarHBondContact N-O 3.11Å; A60-H63 WeakPolarHBondContact O-CA 3.37Å; A60-H63 PolarHBondContact O-N 2.92Å; W61-H63 PolarHBondContact O-CD2 3.35Å; W61-H63 PolarHBondContact O-N 3.35Å; H63-Y65 HydrophobicContact CB-CD2 4.42Å; H63-Y65 HydrophobicContact CB-CE2 3.66Å
64Y98.4Very high97.3Very high29 Ų2976.5 Ų76.511%0.11435%0.348CS..EExtended strand (participates in β ladder)trans-86.8134.4166.2-62.4-75.8000109.3V22 A23 K25 I43 E57 F59 W66V22-Y64 CarbonylContact C-O 3.56Å; V22-Y64 VanDerWaalsContact CA-O 3.22Å; V22-Y64 WeakPolarHBondContact CA-O 3.21Å; V22-Y64 WeakPolarHBondContact CG1-O 3.21Å; A23-Y64 PolarHBondContact N-O 3Å; A23-Y64 PolarHBondContact O-N 3.04Å; K25-Y64 HydrophobicContact CB-CD2 4.2Å; K25-Y64 HydrophobicContact CB-CE2 3.56Å; K25-Y64 HydrophobicContact CD-CE2 4.23Å; K25-Y64 WeakPolarHBondContact CD-OH 3.4Å; K25-Y64 HydrophobicContact CG-CE2 3.69Å; I43-Y64 HydrophobicContact CD1-CE2 4.37Å; I43-Y64 HydrophobicContact CG1-CD2 4.3Å; I43-Y64 HydrophobicContact CG1-CE2 4.33Å; I43-Y64 HydrophobicContact CG2-CE2 4.08Å; E57-Y64 HydrophobicContact CG-CD1 4.31Å; F59-Y64 HydrophobicContact CB-CD1 4.42Å; F59-Y64 AromaticContact CD2-CD1 3.45Å; F59-Y64 HydrophobicContact CD2-CD1 3.45Å; F59-Y64 VanDerWaalsContact CD2-CD1 3.45Å; F59-Y64 HydrophobicContact CD2-CD2 4.43Å; F59-Y64 AromaticContact CD2-CE1 3.52Å; F59-Y64 HydrophobicContact CD2-CE1 3.52Å; F59-Y64 AromaticContact CD2-CG 3.92Å; F59-Y64 HydrophobicContact CD2-CG 3.92Å; F59-Y64 HydrophobicContact CE2-CD1 4.09Å; F59-Y64 HydrophobicContact CE2-CD2 4.37Å; F59-Y64 AromaticContact CE2-CE1 3.89Å; F59-Y64 HydrophobicContact CE2-CE1 3.89Å; F59-Y64 HydrophobicContact CE2-CE2 4.2Å; F59-Y64 HydrophobicContact CE2-CG 4.3Å; F59-Y64 AromaticContact CE2-CZ 3.94Å; F59-Y64 HydrophobicContact CG-CD1 4.28Å; F59-Y64 HydrophobicContact CG-CE1 4.24Å; Y64-W66 HydrophobicContact CD1-CH2 4.49Å; Y64-W66 AromaticContact CD1-CZ2 3.86Å; Y64-W66 HydrophobicContact CD1-CZ2 3.86Å; Y64-W66 AromaticContact CD2-CH2 3.79Å; Y64-W66 HydrophobicContact CD2-CH2 3.79Å; Y64-W66 AromaticContact CD2-CZ2 3.95Å; Y64-W66 HydrophobicContact CD2-CZ2 3.95Å; Y64-W66 AromaticContact CG-CH2 3.64Å; Y64-W66 HydrophobicContact CG-CH2 3.64Å; Y64-W66 AromaticContact CG-CZ2 3.43Å; Y64-W66 HydrophobicContact CG-CZ2 3.43Å; Y64-W66 VanDerWaalsContact CG-CZ2 3.43Å; Y64-W66 HydrophobicContact CG-CZ3 4.49Å
65Y98.2Very high97.2Very high94 Ų9476.3 Ų76.337%0.36935%0.347SS..EExtended strand (participates in β ladder)trans-121.1117.9172.5-60.4-92.1000107.2V22 E57 Q58 A60 H63V22-Y65 HydrophobicContact CB-CD1 4.42Å; V22-Y65 HydrophobicContact CG1-CD1 3.99Å; V22-Y65 HydrophobicContact CG1-CE1 3.82Å; V22-Y65 HydrophobicContact CG2-CD1 3.63Å; V22-Y65 HydrophobicContact CG2-CE1 4.03Å; E57-Y65 CarbonylContact C-O 3.59Å; E57-Y65 WeakPolarHBondContact CA-O 3.26Å; Q58-Y65 PolarHBondContact N-O 3.27Å; Q58-Y65 PolarHBondContact O-N 3.02Å; A60-Y65 HydrophobicContact CB-CE2 4.44Å; H63-Y65 HydrophobicContact CB-CD2 4.42Å; H63-Y65 HydrophobicContact CB-CE2 3.66Å
66W98.4Very high97.1Very high1 Ų176.2 Ų76.20%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-114.7126.9-177.8-71.4-60.7000109.7I20 C21 A23 V42 I43 M46 V55 K56 E57 Y64I20-W66 CarbonylContact C-O 3.59Å; I20-W66 VanDerWaalsContact CA-O 3.25Å; I20-W66 WeakPolarHBondContact CA-O 3.35Å; I20-W66 WeakPolarHBondContact CG2-O 3.25Å; C21-W66 HydrophobicContact CB-CB 4.37Å; C21-W66 HydrophobicContact CB-CE3 4.16Å; C21-W66 PolarHBondContact N-O 3.2Å; C21-W66 WeakPolarHBondContact O-CB 3.18Å; C21-W66 PolarHBondContact O-N 2.98Å; A23-W66 HydrophobicContact CB-CH2 3.86Å; A23-W66 HydrophobicContact CB-CZ3 3.46Å; A23-W66 VanDerWaalsContact CB-CZ3 3.46Å; V42-W66 HydrophobicContact CG1-CZ3 4.23Å; I43-W66 HydrophobicContact CB-CH2 4.43Å; I43-W66 HydrophobicContact CG1-CH2 4.16Å; M46-W66 HydrophobicContact CB-CD2 3.53Å; M46-W66 HydrophobicContact CB-CE3 3.86Å; M46-W66 HydrophobicContact CB-CG 4.09Å; M46-W66 HydrophobicContact CB-CH2 3.82Å; M46-W66 HydrophobicContact CB-CZ2 3.51Å; M46-W66 HydrophobicContact CB-CZ3 3.98Å; M46-W66 HydrophobicContact CG-CD2 3.65Å; M46-W66 HydrophobicContact CG-CE3 3.52Å; M46-W66 HydrophobicContact CG-CG 4.25Å; M46-W66 HydrophobicContact CG-CH2 4.05Å; M46-W66 HydrophobicContact CG-CZ2 4.2Å; M46-W66 HydrophobicContact CG-CZ3 3.71Å; M46-W66 HydrophobicContact SD-CB 4.21Å; M46-W66 HydrophobicContact SD-CD2 4.12Å; M46-W66 HydrophobicContact SD-CE3 4.15Å; M46-W66 HydrophobicContact SD-CG 4.15Å; V55-W66 HydrophobicContact CG1-CB 3.4Å; V55-W66 HydrophobicContact CG1-CG 3.74Å; K56-W66 CarbonylContact O-C 3.54Å; K56-W66 WeakPolarHBondContact O-CA 3.47Å; E57-W66 PolarHBondContact OE2-NE1 2.88Å; Y64-W66 HydrophobicContact CD1-CH2 4.49Å; Y64-W66 AromaticContact CD1-CZ2 3.86Å; Y64-W66 HydrophobicContact CD1-CZ2 3.86Å; Y64-W66 AromaticContact CD2-CH2 3.79Å; Y64-W66 HydrophobicContact CD2-CH2 3.79Å; Y64-W66 AromaticContact CD2-CZ2 3.95Å; Y64-W66 HydrophobicContact CD2-CZ2 3.95Å; Y64-W66 AromaticContact CG-CH2 3.64Å; Y64-W66 HydrophobicContact CG-CH2 3.64Å; Y64-W66 AromaticContact CG-CZ2 3.43Å; Y64-W66 HydrophobicContact CG-CZ2 3.43Å; Y64-W66 VanDerWaalsContact CG-CZ2 3.43Å; Y64-W66 HydrophobicContact CG-CZ3 4.49Å
67M97.7Very high96.9Very high93 Ų9371.6 Ų71.646%0.45833%0.326SS..EExtended strand (participates in β ladder)trans-112.5127.1174.9-63.4-178.1-122.700109.3I20 V55 K56 Q58I20-M67 HydrophobicContact CG1-CG 4.49Å; V55-M67 CarbonylContact C-O 3.52Å; V55-M67 WeakPolarHBondContact CA-O 3.24Å; K56-M67 PolarHBondContact N-O 2.92Å; K56-M67 PolarHBondContact O-N 2.98Å; Q58-M67 HydrophobicContact CG-CE 4.16Å
68L97Very high96.8Very high23 Ų2375.9 Ų75.912%0.1235%0.346CS..EExtended strand (participates in β ladder)trans-68.5130.4178.8-17163.2000110.5L15 F16 G19 V55 M73 L76L15-L68 HydrophobicContact CD1-CB 4.39Å; L15-L68 HydrophobicContact CD2-CD1 4.03Å; L15-L68 HydrophobicContact CG-CD1 4.16Å; F16-L68 HydrophobicContact CD2-CD2 4.31Å; G19-L68 WeakPolarHBondContact O-CB 3.38Å; G19-L68 PolarHBondContact O-N 3.35Å; V55-L68 HydrophobicContact CG2-CD1 4.14Å; L68-M73 HydrophobicContact CD2-CB 4.44Å; L68-M73 HydrophobicContact CD2-CG 3.55Å; L68-M73 HydrophobicContact CG-CG 3.77Å; L68-L76 HydrophobicContact CD1-CD1 3.59Å; L68-L76 HydrophobicContact CD1-CG 4.44Å; L68-L76 HydrophobicContact CD2-CD1 3.98Å; L68-L76 HydrophobicContact CG-CD1 4.48Å
69T96.8Very high96.6Very high25 Ų2573.4 Ų73.415%0.15333%0.331CS..  trans-90168.2176.966.70000111.2D53 Y54 K56 E71 G72 M73D53-T69 PolarHBondContact O-OG1 2.97Å; Y54-T69 WeakPolarHBondContact CA-OG1 3.34Å; Y54-T69 PolarHBondContact O-N 2.83Å; Y54-T69 VanDerWaalsContact O-N 3.07Å; Y54-T69 PolarHBondContact O-OG1 2.86Å; K56-T69 HydrophobicContact CB-CG2 4.5Å; K56-T69 HydrophobicContact CD-CG2 4.47Å; K56-T69 HydrophobicContact CG-CG2 3.86Å; T69-E71 VanDerWaalsContact C-N 3.33Å; T69-E71 PolarHBondContact O-N 3.37Å; T69-G72 PolarHBondContact O-N 3.27Å; T69-G72 PolarHBondContact OG1-N 3.26Å; T69-M73 WeakPolarHBondContact O-CG 3.45Å; T69-M73 PolarHBondContact O-N 2.87Å
70N94.3Very high96.5Very high120 Ų12069.6 Ų69.664%0.64232%0.315SS*.Hα-helixtrans-60.5-40.2176-67.570.9000113.4M73 N74N70-M73 HydrophobicContact CB-CE 4.01Å; N70-M73 WeakPolarHBondContact ND2-CE 3.23Å; N70-M73 WeakPolarHBondContact O-CB 3.3Å; N70-M73 PolarHBondContact O-N 3.33Å; N70-N74 PolarHBondContact O-N 2.97Å
71E96.6Very high96.3Very high125 Ų12575.6 Ų75.658%0.58434%0.336SS*.Hα-helixtrans-65.3-42.6175-63-176.8158.300111.1Y54 T69 M73 N74 Y75Y54-E71 HydrophobicContact CD1-CB 4.26Å; T69-E71 VanDerWaalsContact C-N 3.33Å; T69-E71 PolarHBondContact O-N 3.37Å; E71-M73 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 2.93Å; E71-N74 PolarHBondContact O-N 2.81Å; E71-Y75 PolarHBondContact O-N 2.78Å
72G96.7Very high96Very high0 Ų066.5 Ų66.50%031%0.305CS..Hα-helixtrans-64-36.7175.100000113.7Y54 T69 N74 Y75 L76Y54-G72 VanDerWaalsContact CB-CA 3.46Å; Y54-G72 WeakPolarHBondContact O-CA 3.45Å; T69-G72 PolarHBondContact O-N 3.27Å; T69-G72 PolarHBondContact OG1-N 3.26Å; G72-N74 VanDerWaalsContact C-N 3.31Å; G72-N74 PolarHBondContact O-N 2.8Å; G72-Y75 PolarHBondContact O-N 2.77Å; G72-L76 WeakPolarHBondContact O-CB 3.27Å; G72-L76 WeakPolarHBondContact O-CG 3.47Å; G72-L76 PolarHBondContact O-N 2.77Å
73M94.8Very high95.6Very high20 Ų2061.7 Ų61.710%0.09930%0.295CS..Hα-helixtrans-58.4-44.7172.5-75.1-168.5-72.600111.3L68 T69 N70 E71 R77 P88L68-M73 HydrophobicContact CD2-CB 4.44Å; L68-M73 HydrophobicContact CD2-CG 3.55Å; L68-M73 HydrophobicContact CG-CG 3.77Å; T69-M73 WeakPolarHBondContact O-CG 3.45Å; T69-M73 PolarHBondContact O-N 2.87Å; N70-M73 HydrophobicContact CB-CE 4.01Å; N70-M73 WeakPolarHBondContact ND2-CE 3.23Å; N70-M73 WeakPolarHBondContact O-CB 3.3Å; N70-M73 PolarHBondContact O-N 3.33Å; E71-M73 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 2.93Å; M73-R77 WeakPolarHBondContact O-CB 3.22Å; M73-R77 PolarHBondContact O-N 2.7Å; M73-P88 HydrophobicContact CG-CG 4.3Å; M73-P88 HydrophobicContact SD-CG 3.45Å; M73-P88 WeakPolarHBondContact SD-CG 3.38Å
74N94.7Very high95Very high97 Ų9763.9 Ų63.952%0.51931%0.314SS..Hα-helixtrans-66.5-45.6179.2-67.7-19.1000111.5N70 E71 G72 L76 R77 E78N70-N74 PolarHBondContact O-N 2.97Å; E71-N74 PolarHBondContact O-N 2.81Å; G72-N74 VanDerWaalsContact C-N 3.31Å; G72-N74 PolarHBondContact O-N 2.8Å; N74-L76 PolarHBondContact O-N 2.85Å; N74-R77 WeakPolarHBondContact O-CB 3.4Å; N74-R77 PolarHBondContact O-N 3.36Å; N74-R77 PolarHBondContact OD1-NH1 2.8Å; N74-E78 PolarHBondContact O-N 2.92Å; N74-E78 VanDerWaalsContact O-N 3.08Å
75Y97.2Very high94.4Very high50 Ų5070.5 Ų70.520%0.19635%0.346CS..Hα-helixtrans-57.8-46.6175.8172.3-98.5000112.3L49 Y54 E71 G72 R77 E78 Y79L49-Y75 HydrophobicContact CD2-CD1 4.18Å; L49-Y75 HydrophobicContact CD2-CE1 3.82Å; Y54-Y75 AromaticContact CD2-CD1 3.7Å; Y54-Y75 HydrophobicContact CD2-CD1 3.7Å; Y54-Y75 HydrophobicContact CD2-CD2 4.39Å; Y54-Y75 HydrophobicContact CD2-CE1 4.16Å; Y54-Y75 AromaticContact CD2-CG 3.83Å; Y54-Y75 HydrophobicContact CD2-CG 3.83Å; Y54-Y75 HydrophobicContact CE1-CG 4.32Å; Y54-Y75 AromaticContact CE2-CD1 3.73Å; Y54-Y75 HydrophobicContact CE2-CD1 3.73Å; Y54-Y75 AromaticContact CE2-CD2 3.59Å; Y54-Y75 HydrophobicContact CE2-CD2 3.59Å; Y54-Y75 HydrophobicContact CE2-CE1 4.08Å; Y54-Y75 AromaticContact CE2-CE2 3.93Å; Y54-Y75 HydrophobicContact CE2-CE2 3.93Å; Y54-Y75 AromaticContact CE2-CG 3.47Å; Y54-Y75 HydrophobicContact CE2-CG 3.47Å; Y54-Y75 VanDerWaalsContact CE2-CG 3.47Å; Y54-Y75 HydrophobicContact CG-CD1 4.39Å; Y54-Y75 HydrophobicContact CG-CG 4.39Å; Y54-Y75 AromaticContact CZ-CD2 3.74Å; Y54-Y75 AromaticContact CZ-CG 3.76Å; E71-Y75 PolarHBondContact O-N 2.78Å; G72-Y75 PolarHBondContact O-N 2.77Å; Y75-R77 VanDerWaalsContact C-N 3.34Å; Y75-R77 PolarHBondContact O-N 3.21Å; Y75-E78 PolarHBondContact O-N 3.32Å; Y75-Y79 WeakPolarHBondContact O-CB 3.39Å; Y75-Y79 PolarHBondContact O-N 3.23Å
76L96Very high93.8Very high1 Ų169.6 Ų69.61%0.00535%0.347CS..Hα-helixtrans-67.3-35.1178.8-70.9-177.2000112.3Y12 L15 F16 L68 G72 N74 Y79 L80Y12-L76 HydrophobicContact CD1-CD2 4.15Å; Y12-L76 HydrophobicContact CD2-CD2 3.98Å; Y12-L76 HydrophobicContact CG-CD2 3.73Å; L15-L76 HydrophobicContact CB-CD1 4.43Å; L15-L76 HydrophobicContact CD2-CD1 3.89Å; L15-L76 HydrophobicContact CG-CD1 4.08Å; F16-L76 HydrophobicContact CB-CD1 4.15Å; F16-L76 HydrophobicContact CD2-CB 3.86Å; F16-L76 HydrophobicContact CD2-CD1 4.39Å; L68-L76 HydrophobicContact CD1-CD1 3.59Å; L68-L76 HydrophobicContact CD1-CG 4.44Å; L68-L76 HydrophobicContact CD2-CD1 3.98Å; L68-L76 HydrophobicContact CG-CD1 4.48Å; G72-L76 WeakPolarHBondContact O-CB 3.27Å; G72-L76 WeakPolarHBondContact O-CG 3.47Å; G72-L76 PolarHBondContact O-N 2.77Å; N74-L76 PolarHBondContact O-N 2.85Å; L76-Y79 PolarHBondContact O-N 2.84Å; L76-L80 VanDerWaalsContact O-CB 3.24Å; L76-L80 WeakPolarHBondContact O-CB 3.4Å; L76-L80 VanDerWaalsContact O-CG 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.43Å
77R93.7Very high93.2Very high50 Ų5072.9 Ų72.919%0.18936%0.364CS..Hα-helixtrans-61.6-45.3175.9-173.7-179.9-67.7112.3-4.4111.5F16 M73 N74 Y75 H81 L82F16-R77 HydrophobicContact CE2-CB 4.44Å; M73-R77 WeakPolarHBondContact O-CB 3.22Å; M73-R77 PolarHBondContact O-N 2.7Å; N74-R77 WeakPolarHBondContact O-CB 3.4Å; N74-R77 PolarHBondContact O-N 3.36Å; N74-R77 PolarHBondContact OD1-NH1 2.8Å; Y75-R77 VanDerWaalsContact C-N 3.34Å; Y75-R77 PolarHBondContact O-N 3.21Å; R77-H81 WeakPolarHBondContact O-CA 3.43Å; R77-H81 PolarHBondContact O-N 3.46Å; R77-L82 HydrophobicContact CG-CB 4.25Å; R77-L82 WeakPolarHBondContact CG-O 3.41Å; R77-L82 PolarHBondContact O-N 2.78Å
78E95.1Very high92.7Very high147 Ų14768.5 Ų68.569%0.68734%0.342SS*.Hα-helixtrans-65.8-46.2176.7-173.6179.5177.300111.4N74 Y75 L80 H81N74-E78 PolarHBondContact O-N 2.92Å; N74-E78 VanDerWaalsContact O-N 3.08Å; Y75-E78 PolarHBondContact O-N 3.32Å; E78-L80 PolarHBondContact O-N 3.24Å; E78-H81 PolarHBondContact O-CE1 2.94Å; E78-H81 PolarHBondContact O-N 3.45Å; E78-H81 PolarHBondContact O-ND1 3Å; E78-H81 VanDerWaalsContact O-ND1 3.11Å
79Y95Very high92.3Very high67 Ų6769.4 Ų69.426%0.26335%0.353SS..Hα-helixtrans-64.8-39.6-178.5-174.9-82.5000113.3Y12 Y75 L76 H81Y12-Y79 AromaticContact CD2-CD1 3.6Å; Y12-Y79 HydrophobicContact CD2-CD1 3.6Å; Y12-Y79 AromaticContact CD2-CE1 3.5Å; Y12-Y79 HydrophobicContact CD2-CE1 3.5Å; Y12-Y79 VanDerWaalsContact CD2-CE1 3.5Å; Y12-Y79 HydrophobicContact CD2-CG 4.25Å; Y12-Y79 HydrophobicContact CE2-CD1 4.11Å; Y12-Y79 HydrophobicContact CE2-CD2 4.49Å; Y12-Y79 AromaticContact CE2-CE1 3.85Å; Y12-Y79 HydrophobicContact CE2-CE1 3.85Å; Y12-Y79 HydrophobicContact CE2-CE2 4.24Å; Y12-Y79 HydrophobicContact CE2-CG 4.43Å; Y12-Y79 AromaticContact CE2-CZ 3.91Å; Y75-Y79 WeakPolarHBondContact O-CB 3.39Å; Y75-Y79 PolarHBondContact O-N 3.23Å; L76-Y79 PolarHBondContact O-N 2.84Å; Y79-H81 VanDerWaalsContact C-N 3.34Å
80L95.5Very high91.6Very high16 Ų1672.1 Ų72.18%0.08437%0.369CS..Hα-helixtrans-88.7-3.3-179.7-63.1172.8000112.6H9 F16 L76 E78 L82H9-L80 WeakPolarHBondContact NE2-CD2 3.36Å; F16-L80 HydrophobicContact CB-CD1 4.03Å; F16-L80 HydrophobicContact CG-CD1 4.45Å; L76-L80 VanDerWaalsContact O-CB 3.24Å; L76-L80 WeakPolarHBondContact O-CB 3.4Å; L76-L80 VanDerWaalsContact O-CG 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.43Å; E78-L80 PolarHBondContact O-N 3.24Å; L80-L82 VanDerWaalsContact C-N 3.27Å; L80-L82 HydrophobicContact CB-CD1 3.8Å; L80-L82 HydrophobicContact CB-CG 3.69Å; L80-L82 HydrophobicContact CD1-CD1 3.8Å; L80-L82 HydrophobicContact CG-CD1 4.47Å; L80-L82 PolarHBondContact O-N 3.01Å
81H93.9Very high90.9Very high168 Ų16871.4 Ų71.478%0.77837%0.365SS*.THydrogen-bonded Turntrans53.741.5-175.1-52.2-57.2000113.3R77 E78 Y79R77-H81 WeakPolarHBondContact O-CA 3.43Å; R77-H81 PolarHBondContact O-N 3.46Å; E78-H81 PolarHBondContact O-CE1 2.94Å; E78-H81 PolarHBondContact O-N 3.45Å; E78-H81 PolarHBondContact O-ND1 3Å; E78-H81 VanDerWaalsContact O-ND1 3.11Å; Y79-H81 VanDerWaalsContact C-N 3.34Å
82L90.9Very high90.1Very high52 Ų5272 Ų7227%0.27237%0.366SS..  trans-87.1143.9-179.6-63.6172.9000111F16 R77 L80 I86F16-L82 HydrophobicContact CD1-CD1 3.33Å; F16-L82 HydrophobicContact CE1-CD1 3.38Å; F16-L82 HydrophobicContact CG-CD1 4.03Å; F16-L82 HydrophobicContact CZ-CD1 4.13Å; R77-L82 HydrophobicContact CG-CB 4.25Å; R77-L82 WeakPolarHBondContact CG-O 3.41Å; R77-L82 PolarHBondContact O-N 2.78Å; L80-L82 VanDerWaalsContact C-N 3.27Å; L80-L82 HydrophobicContact CB-CD1 3.8Å; L80-L82 HydrophobicContact CB-CG 3.69Å; L80-L82 HydrophobicContact CD1-CD1 3.8Å; L80-L82 HydrophobicContact CG-CD1 4.47Å; L80-L82 PolarHBondContact O-N 3.01Å; L82-I86 HydrophobicContact CD2-CD1 4.13Å
83P89.5Confident88.9Confident63 Ų6382.6 Ų82.641%0.40941%0.406SS..  trans-65155.7172.626.4-33.8000111.7E85 I86P83-E85 PolarHBondContact O-N 2.83Å; P83-I86 HydrophobicContact CG-CD1 3.77Å; P83-I86 HydrophobicContact CG-CG1 3.99Å; P83-I86 PolarHBondContact O-N 3.41Å
84P83.7Confident87.6Confident100 Ų10086.3 Ų86.365%0.64943%0.431SS*.THydrogen-bonded Turntrans-64.1-21.5-179.126.7-34.8000113.9I86P84-I86 VanDerWaalsContact C-N 3.29Å; P84-I86 PolarHBondContact O-N 3.12Å
85E86.2Confident86.1Confident169 Ų16990.7 Ų90.779%0.7945%0.449SS*.THydrogen-bonded Turntrans-66.3-28.3179.3-62.7178-176.900113.4P83 I87P83-E85 PolarHBondContact O-N 2.83Å; E85-I87 PolarHBondContact O-N 3.5Å
86I85.8Confident84.4Confident75 Ų7598.3 Ų98.339%0.38548%0.477SS..  trans-78.3120.5179.7-55.6172.1000108.3F16 L82 P83 P84F16-I86 HydrophobicContact CD1-CG2 4.46Å; F16-I86 HydrophobicContact CE1-CB 4.17Å; F16-I86 HydrophobicContact CE1-CG2 3.7Å; F16-I86 WeakPolarHBondContact CZ-O 3.11Å; L82-I86 HydrophobicContact CD2-CD1 4.13Å; P83-I86 HydrophobicContact CG-CD1 3.77Å; P83-I86 HydrophobicContact CG-CG1 3.99Å; P83-I86 PolarHBondContact O-N 3.41Å; P84-I86 VanDerWaalsContact C-N 3.29Å; P84-I86 PolarHBondContact O-N 3.12Å
87I85.8Confident82.6Confident70 Ų70100.3 Ų100.336%0.35950%0.498SS..  trans-119.1138.8-177.5-65.8170.5000108.5E85 L91 K92E85-I87 PolarHBondContact O-N 3.5Å; I87-L91 HydrophobicContact CG2-CB 3.49Å; I87-L91 VanDerWaalsContact CG2-CB 3.49Å; I87-L91 HydrophobicContact CG2-CD2 3.69Å; I87-L91 HydrophobicContact CG2-CG 3.71Å; I87-K92 WeakPolarHBondContact O-CE 3.34Å
88P88.6Confident81Confident1 Ų1103.7 Ų103.71%0.00653%0.527CS..  trans-57.1153174.621.5-34.3000112.6F16 M73 T90 L91 K92F16-P88 WeakPolarHBondContact O-CA 3.49Å; F16-P88 VanDerWaalsContact O-CB 3.23Å; F16-P88 WeakPolarHBondContact O-CB 3.1Å; M73-P88 HydrophobicContact CG-CG 4.3Å; M73-P88 HydrophobicContact SD-CG 3.45Å; M73-P88 WeakPolarHBondContact SD-CG 3.38Å; P88-T90 PolarHBondContact O-N 3.21Å; P88-L91 HydrophobicContact CG-CB 4.36Å; P88-L91 PolarHBondContact O-N 3.17Å; P88-K92 PolarHBondContact O-N 2.74Å
89A87.1Confident79.1Confident42 Ų42103.4 Ų103.435%0.34753%0.53SS..G310 helixtrans-55-35.7178.700000113.3K17 L91 K92K17-A89 WeakPolarHBondContact O-CB 3.45Å; K17-A89 PolarHBondContact O-N 3.25Å; A89-L91 PolarHBondContact O-N 3.38Å; A89-K92 PolarHBondContact O-N 3.29Å
90T83Confident77.3Confident81 Ų81105 Ų10550%0.49756%0.557SS.*G310 helixtrans-60.6-25.6177.948.80000114.6E18 I20 P88E18-T90 WeakPolarHBondContact O-CG2 3.3Å; I20-T90 HydrophobicContact CD1-CG2 3.73Å; I20-T90 HydrophobicContact CG1-CG2 3.72Å; P88-T90 PolarHBondContact O-N 3.21Å
91L80.4Confident75.3Confident105 Ų105115 Ų11555%0.5559%0.594SS.*G310 helixtrans-100.4-11.5-179.6-174.961.1000112.5I87 P88 A89 R93I87-L91 HydrophobicContact CG2-CB 3.49Å; I87-L91 VanDerWaalsContact CG2-CB 3.49Å; I87-L91 HydrophobicContact CG2-CD2 3.69Å; I87-L91 HydrophobicContact CG2-CG 3.71Å; P88-L91 HydrophobicContact CG-CB 4.36Å; P88-L91 PolarHBondContact O-N 3.17Å; A89-L91 PolarHBondContact O-N 3.38Å; L91-R93 PolarHBondContact O-N 3.13Å; L91-R93 VanDerWaalsContact O-N 3.09Å
92K79.3Confident73.1Confident138 Ų138109.5 Ų109.560%0.658%0.582SS**SBendtrans-64.8113.8171.2-66-177.4-176.3179.60108.3I87 P88 A89 P94I87-K92 WeakPolarHBondContact O-CE 3.34Å; P88-K92 PolarHBondContact O-N 2.74Å; A89-K92 PolarHBondContact O-N 3.29Å; K92-P94 WeakPolarHBondContact O-CD 3.25Å; K92-P94 VanDerWaalsContact O-N 3.16Å
93R71.3Confident71.1Confident222 Ų222112.8 Ų112.884%0.83861%0.607SS**  trans-60.3120.2177.2-169.1168.2-153.2-1343.4108.3L91 Q95L91-R93 PolarHBondContact O-N 3.13Å; L91-R93 VanDerWaalsContact O-N 3.09Å; R93-Q95 PolarHBondContact O-N 3.22Å; R93-Q95 VanDerWaalsContact O-N 3.15Å
94P66.9Low69.3Low98 Ų98118 Ų11864%0.63663%0.628SS**  trans-60.9125.8171.923.8-30.8000107.3K92 R96K92-P94 WeakPolarHBondContact O-CD 3.25Å; K92-P94 VanDerWaalsContact O-N 3.16Å; P94-R96 PolarHBondContact O-N 2.94Å
95Q62.6Low67.8Low190 Ų190120.3 Ų120.389%0.88864%0.635SS**  trans-62.295.3169.2-171.3172.96.400105.9R93 G97R93-Q95 PolarHBondContact O-N 3.22Å; R93-Q95 VanDerWaalsContact O-N 3.15Å; Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 2.99Å
96R62.1Low65.9Low209 Ų209122.5 Ų122.579%0.78964%0.636SS**  trans-63.6100.2167.6-69.7-176.6178.4172.2-0.1104.6P94P94-R96 PolarHBondContact O-N 2.94Å
97G59Low63.9Low44 Ų44125 Ų12545%0.45466%0.656SS.*  trans-51.9142167.700000108.4Q95 D99Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 2.99Å; G97-D99 PolarHBondContact O-N 2.75Å
98P58.5Low61.8Low121 Ų121127.3 Ų127.379%0.78667%0.674SS**THydrogen-bonded Turntrans-55.5-18.6-177.3-2431.6000114.9
99D57Low59.7Low141 Ų141133.5 Ų133.575%0.75471%0.712SS**THydrogen-bonded Turntrans-108.85-159.8-54.5-54.4000116.9G97 R101G97-D99 PolarHBondContact O-N 2.75Å; D99-R101 PolarHBondContact O-N 2.81Å
100A55.7Low57.3Low100 Ų100135 Ų13583%0.82673%0.731SS**THydrogen-bonded Turntrans-78.5-2.5179.900000114.4
101R54.7Low55.2Low227 Ų227136.7 Ų136.786%0.85774%0.743SS**THydrogen-bonded Turntrans-134.869.8167.7-68.9-178-178.1161.6-1.8108D99D99-R101 PolarHBondContact O-N 2.81Å
102G47.5Very low53.4Low52 Ų52137.3 Ų137.354%0.53676%0.756SS.*  trans-46.2136.2154.300000108M104G102-M104 PolarHBondContact O-N 2.76Å
103P49.2Very low51.3Low121 Ų121134.5 Ų134.579%0.78677%0.766SS**  trans-53.2112.5-179.819.9-28.9000107D105P103-D105 PolarHBondContact O-N 2.81Å
104M50.4Low49.7Very low173 Ų173132.7 Ų132.785%0.85277%0.765SS**  trans-53.7102.4161.5-111.4-76.7-155.100103.9G102 R106G102-M104 PolarHBondContact O-N 2.76Å; M104-R106 PolarHBondContact O-N 3.32Å
105D51.9Low48.6Very low148 Ų148136.5 Ų136.579%0.79178%0.778SS**  trans-5090.3163.9-89.8-49000105.5P103 P107P103-D105 PolarHBondContact O-N 2.81Å; D105-P107 WeakPolarHBondContact O-CD 3.25Å
106R47.3Very low47.6Very low215 Ų215130.1 Ų130.181%0.81176%0.763SS**  trans-73108.6164-92-179169.6178.2-3.4103.3M104 T108M104-R106 PolarHBondContact O-N 3.32Å; R106-T108 PolarHBondContact O-N 3.34Å
107P43.6Very low46.9Very low126 Ų126126.2 Ų126.282%0.81876%0.758SS**  trans-67.296168-6.326.3000104.7D105D105-P107 WeakPolarHBondContact O-CD 3.25Å
108T42.2Very low46.4Very low120 Ų120131.7 Ų131.774%0.73677%0.774SS**  trans-71.7137.4160.6-57.40000105R106R106-T108 PolarHBondContact O-N 3.34Å
109V43.1Very low46.2Very low131 Ų131131.9 Ų131.979%0.79477%0.768SS**  trans94.887.2175.7-161.80000115.3
110G37Very low46.2Very low72 Ų72129.1 Ų129.174%0.74276%0.76SS**  trans-157.282.6149.400000108.6
111P39.1Very low46.2Very low117 Ų117134.9 Ų134.976%0.7676%0.76SS**  trans-75.9144.6177.131.8-29.9000109.5
112S42.6Very low46.3Very low118 Ų118129.5 Ų129.583%0.82575%0.745SS**  trans84.570.8168.4-165.20000117.5
113G35.5Very low46.8Very low79 Ų79130.7 Ų130.781%0.81475%0.75SS**  trans-124.171.8148.300000109.1
114K37.6Very low47.3Very low185 Ų185135.3 Ų135.380%0.80475%0.753SS**  trans-63.9151.6162-73.2-175.4172.1-1790107.8
115I43.2Very low47.9Very low177 Ų177137.8 Ų137.891%0.90875%0.753SS**SBendtrans96111.2167.1-50.5153.8000112.8
116G42Very low48Very low56 Ų56138.3 Ų138.358%0.57775%0.748SS**SBendtrans160.9-61.6149.900000117.6M118G116-M118 PolarHBondContact O-N 3.43Å
117D48Very low48.1Very low127 Ų127130.9 Ų130.968%0.67974%0.738SS**THydrogen-bonded Turntrans-10827.4-150.3-116.7-62.6000116.5D119 S120D117-D119 PolarHBondContact O-N 2.63Å; D117-S120 PolarHBondContact O-N 3.26Å; D117-S120 WeakPolarHBondContact OD1-CB 3.4Å; D117-S120 PolarHBondContact OD1-OG 3.15Å
118M47.5Very low48.3Very low160 Ų160134 Ų13479%0.78873%0.734SS**THydrogen-bonded Turntrans-66.4-14.3167.6-165.3159.5169.700111.9G116G116-M118 PolarHBondContact O-N 3.43Å
119D56.4Low48.7Very low125 Ų125138.1 Ų138.167%0.66874%0.742SS**Hα-helixtrans-75.9-19.1177.8-76.4-32.7000114.5D117 R121 A123D117-D119 PolarHBondContact O-N 2.63Å; D119-R121 VanDerWaalsContact C-N 3.31Å; D119-R121 PolarHBondContact O-N 3.04Å; D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.28Å; D119-A123 VanDerWaalsContact O-N 3.16Å
120S56.4Low48.9Very low83 Ų83141.9 Ų141.958%0.5876%0.757SS**Hα-helixtrans-69.3-27.4-178.5-79.30000113.3D117D117-S120 PolarHBondContact O-N 3.26Å; D117-S120 WeakPolarHBondContact OD1-CB 3.4Å; D117-S120 PolarHBondContact OD1-OG 3.15Å
121R55.1Low49.5Very low220 Ų220145.4 Ų145.483%0.8376%0.758SS**Hα-helixtrans-88.5-31.6-179.5-159.6168.3-168.8151.61.7112.8D119D119-R121 VanDerWaalsContact C-N 3.31Å; D119-R121 PolarHBondContact O-N 3.04Å
122E57.7Low50Low114 Ų114146.8 Ų146.853%0.53376%0.758SS.*Hα-helixtrans-71.3-38.5177.3-133.995.6-140.900111.2Y124 R125 K126E122-Y124 VanDerWaalsContact C-N 3.28Å; E122-Y124 PolarHBondContact O-N 3.16Å; E122-R125 PolarHBondContact O-N 3.11Å; E122-K126 PolarHBondContact O-N 3.29Å; E122-K126 VanDerWaalsContact O-N 3.15Å
123A57.3Low50.5Low78 Ų78148.4 Ų148.465%0.64575%0.754SS**Hα-helixtrans-59.9-35-178.800000113.1D119D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.28Å; D119-A123 VanDerWaalsContact O-N 3.16Å
124Y58.9Low51.3Low218 Ų218152.5 Ų152.586%0.85575%0.751SS**Hα-helixtrans-75.9-27.2177.2-156.9-93.7000112.8E122E122-Y124 VanDerWaalsContact C-N 3.28Å; E122-Y124 PolarHBondContact O-N 3.16Å
125R63.2Low52.2Low225 Ų225150.5 Ų150.585%0.84975%0.747SS**Hα-helixtrans-85.7-22.4-174.6-149.4178.4-170.6177.32112.9E122E122-R125 PolarHBondContact O-N 3.11Å
126K54.3Low52.8Low158 Ų158148.7 Ų148.769%0.68774%0.737SS**THydrogen-bonded Turntrans-101.338.7-177.4-152.7175.5-176.3173.90112.9E122 R128E122-K126 PolarHBondContact O-N 3.29Å; E122-K126 VanDerWaalsContact O-N 3.15Å; K126-R128 PolarHBondContact O-N 3.24Å
127G50.6Low53.6Low59 Ų59155.4 Ų155.461%0.60875%0.748SS**  trans-65.787.1155.400000108.1F129G127-F129 PolarHBondContact O-N 3.36Å
128R47.4Very low54Low193 Ų193157.5 Ų157.573%0.72875%0.753SS**  trans-61.1124.9-179.1-155.7-164.5-79.7-171.8-2.4108.1K126 D130K126-R128 PolarHBondContact O-N 3.24Å; R128-D130 PolarHBondContact O-N 2.9Å
129F50.2Low54.5Low206 Ų206157.3 Ų157.390%0.90475%0.75SS**  trans-66.5106.6165.1-73.7-105.1000107.1G127G127-F129 PolarHBondContact O-N 3.36Å
130D47.1Very low54.4Low209 Ų209160.3 Ų160.3100%1.11876%0.758SS**  trans-116.80155.7-91.4-75.2000106.9R128R128-D130 PolarHBondContact O-N 2.9Å

Retrieved 130 of 130 residues in 78.2 ms (Link to these results)

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