A0A3Q0KQ65_SCHMA Loading...

Glyco_transf_7C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 162 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
1M79.4Confident87Confident139 Ų13979.5 Ų79.569%0.68539%0.392SS*.  0126.60177.7169.261.200107.7C37 C56 T87M1-C37 HydrophobicContact CE-CB 3.91Å; M1-C37 HydrophobicContact CG-CB 4Å; M1-C37 HydrophobicContact SD-CB 3.85Å; M1-C56 HydrophobicContact CE-CB 3.8Å; M1-C56 WeakPolarHBondContact CE-O 3.48Å; M1-C56 HydrophobicContact SD-CB 4.47Å; M1-T87 HydrophobicContact SD-CG2 4.36Å
2L88.9Confident86.9Confident75 Ų7575.9 Ų75.939%0.39339%0.391SS..  trans-86.2133177.4-176.168.3000110.2K33 Y35 G36 C37L2-K33 HydrophobicContact CD2-CD 3.51Å; L2-K33 HydrophobicContact CD2-CG 4.29Å; L2-Y35 HydrophobicContact CB-CD1 4.48Å; L2-Y35 HydrophobicContact CD2-CD1 3.59Å; L2-Y35 HydrophobicContact CD2-CE1 3.51Å; L2-Y35 HydrophobicContact CG-CD1 3.74Å; L2-Y35 HydrophobicContact CG-CE1 3.95Å; L2-G36 PolarHBondContact O-N 3.39Å; L2-C37 PolarHBondContact O-N 3.44Å; L2-C37 VanDerWaalsContact O-N 3.14Å
3C90.2Very high86.9Confident45 Ų4584.4 Ų84.430%0.30443%0.428SS..EExtended strand (participates in β ladder)trans-101.3149.7178.8-58.10000111.5C37 I39 Y54C3-C37 CarbonylContact C-O 3.52Å; C3-C37 VanDerWaalsContact CA-O 3.3Å; C3-C37 WeakPolarHBondContact CA-O 3.46Å; C3-C37 HydrophobicContact CB-CB 4.2Å; C3-C37 VanDerWaalsContact SG-CB 3.57Å; C3-I39 HydrophobicContact CB-CD1 3.76Å; C3-Y54 PolarHBondContact SG-O 3.19Å
4V93.5Very high87Confident19 Ų1992.6 Ų92.612%0.11545%0.452CS..EExtended strand (participates in β ladder)trans-128.8133.7166.6620000109.7L6 V29 Y35 C37 F38 I39V4-L6 HydrophobicContact CG2-CD2 4.23Å; V4-V29 HydrophobicContact CG1-CG2 4.17Å; V4-V29 HydrophobicContact CG2-CG2 4.49Å; V4-Y35 HydrophobicContact CB-CD1 3.65Å; V4-Y35 HydrophobicContact CB-CD2 4.13Å; V4-Y35 HydrophobicContact CB-CE1 3.89Å; V4-Y35 HydrophobicContact CB-CE2 4.34Å; V4-Y35 HydrophobicContact CB-CG 3.78Å; V4-Y35 HydrophobicContact CG1-CD1 4.07Å; V4-Y35 HydrophobicContact CG1-CD2 3.99Å; V4-Y35 HydrophobicContact CG1-CG 3.69Å; V4-Y35 HydrophobicContact CG2-CE1 4.43Å; V4-Y35 HydrophobicContact CG2-CE2 4.43Å; V4-C37 PolarHBondContact N-O 2.65Å; V4-F38 HydrophobicContact CG1-CD1 3.42Å; V4-F38 VanDerWaalsContact CG1-CD1 3.42Å; V4-F38 HydrophobicContact CG1-CE1 3.69Å; V4-F38 HydrophobicContact CG1-CG 4.04Å; V4-F38 HydrophobicContact CG1-CZ 4.45Å; V4-I39 WeakPolarHBondContact O-CD1 3.25Å; V4-I39 PolarHBondContact O-N 2.86Å
5L92.4Very high87.4Confident82 Ų8292.9 Ų92.943%0.42945%0.45SS..EExtended strand (participates in β ladder)trans-93.1120.3172.6177.163.3000108.8V7 I39 H41 Y54L5-V7 HydrophobicContact CD1-CG2 4.35Å; L5-V7 HydrophobicContact CD2-CG2 3.99Å; L5-V7 HydrophobicContact CG-CG2 3.87Å; L5-I39 HydrophobicContact CD1-CB 3.85Å; L5-I39 HydrophobicContact CD1-CG2 3.64Å; L5-H41 HydrophobicContact CD1-CB 3.45Å; L5-H41 VanDerWaalsContact CD1-CB 3.45Å; L5-Y54 HydrophobicContact CD1-CD1 4.02Å; L5-Y54 HydrophobicContact CD1-CE1 3.79Å; L5-Y54 HydrophobicContact CD2-CE1 4.32Å
6L89.2Confident87.7Confident5 Ų589.9 Ų89.93%0.02643%0.434CS..EExtended strand (participates in β ladder)trans-10097176.7-65.3-175.7000109.4V4 L22 F26 V29 F38 I39 L40 H41V4-L6 HydrophobicContact CG2-CD2 4.23Å; L6-L22 HydrophobicContact CB-CD2 4.48Å; L6-F26 HydrophobicContact CD1-CB 4.31Å; L6-V29 HydrophobicContact CD2-CB 4.38Å; L6-V29 HydrophobicContact CD2-CG1 3.59Å; L6-V29 HydrophobicContact CD2-CG2 3.94Å; L6-F38 HydrophobicContact CD1-CD1 4.02Å; L6-I39 PolarHBondContact N-O 2.99Å; L6-L40 HydrophobicContact CB-CD2 4.35Å; L6-L40 HydrophobicContact CD1-CD2 3.72Å; L6-L40 HydrophobicContact CG-CD2 4.44Å; L6-H41 PolarHBondContact O-N 3.2Å; L6-H41 VanDerWaalsContact O-N 3.14Å
7V88.1Confident88Confident67 Ų6786 Ų8641%0.40642%0.416SS..  trans-103.1100.4166.6-173.40000107.4L5 H41 V43L5-V7 HydrophobicContact CD1-CG2 4.35Å; L5-V7 HydrophobicContact CD2-CG2 3.99Å; L5-V7 HydrophobicContact CG-CG2 3.87Å; V7-H41 HydrophobicContact CG2-CB 4.36Å; V7-V43 HydrophobicContact CG1-CB 3.77Å; V7-V43 HydrophobicContact CG1-CG2 3.72Å
8M84.7Confident88.4Confident64 Ų6482.1 Ų82.132%0.31540%0.396SS..  trans-105.8138.5-179.2-56.8-65.6-69.500109.5L21 L22M8-L21 HydrophobicContact CB-CD1 4.12Å; M8-L21 HydrophobicContact CB-CD2 3.59Å; M8-L21 HydrophobicContact CB-CG 3.51Å; M8-L21 HydrophobicContact CE-CD1 3.91Å; M8-L21 HydrophobicContact CE-CG 4.4Å; M8-L21 HydrophobicContact CG-CG 4.28Å; M8-L22 HydrophobicContact CG-CD2 4.23Å
9Y84.4Confident88.6Confident163 Ų16377.8 Ų77.864%0.63938%0.375SS*.  trans-122.4149175.377.3-76.2000109.8I11Y9-I11 HydrophobicContact CD2-CD1 4.2Å; Y9-I11 HydrophobicContact CD2-CG1 3.83Å; Y9-I11 HydrophobicContact CE2-CD1 3.19Å; Y9-I11 HydrophobicContact CE2-CG1 3.3Å; Y9-I11 WeakPolarHBondContact OH-CD1 3.2Å
10Y84.2Confident88.9Confident82 Ų8275.5 Ų75.532%0.32237%0.369SS..  trans-96.3127.4-177.4179.6-104.4000110.6G12 E13 R14 F16 L142Y10-G12 VanDerWaalsContact OH-C 3.28Å; Y10-G12 VanDerWaalsContact OH-CA 3.32Å; Y10-G12 WeakPolarHBondContact OH-CA 3.3Å; Y10-E13 PolarHBondContact OH-N 3.47Å; Y10-R14 WeakPolarHBondContact CE1-O 3.38Å; Y10-R14 VanDerWaalsContact CZ-O 3.29Å; Y10-R14 WeakPolarHBondContact OH-CA 3.02Å; Y10-R14 PolarHBondContact OH-N 3.14Å; Y10-R14 PolarHBondContact OH-O 3.03Å; Y10-F16 VanDerWaalsContact CB-CD2 3.48Å; Y10-F16 HydrophobicContact CD1-CD2 4.27Å; Y10-F16 HydrophobicContact CD2-CD2 4.16Å; Y10-F16 AromaticContact CG-CD2 3.72Å; Y10-F16 HydrophobicContact CG-CD2 3.72Å; Y10-F16 HydrophobicContact CG-CE2 4.4Å; Y10-L142 HydrophobicContact CE1-CD1 4.42Å
11I82.2Confident89.1Confident133 Ų13373.5 Ų73.568%0.68236%0.36SS*.  trans-123.7111.9162.3-55.5163.3000106.7Y9Y9-I11 HydrophobicContact CD2-CD1 4.2Å; Y9-I11 HydrophobicContact CD2-CG1 3.83Å; Y9-I11 HydrophobicContact CE2-CD1 3.19Å; Y9-I11 HydrophobicContact CE2-CG1 3.3Å; Y9-I11 WeakPolarHBondContact OH-CD1 3.2Å
12G85.3Confident90Very high37 Ų3767.2 Ų67.238%0.38133%0.329SS..SBendtrans-177.8179.7174.800000113.1Y10 L142Y10-G12 VanDerWaalsContact OH-C 3.28Å; Y10-G12 VanDerWaalsContact OH-CA 3.32Å; Y10-G12 WeakPolarHBondContact OH-CA 3.3Å; G12-L142 WeakPolarHBondContact O-CD1 3.45Å
13E86.8Confident90.3Very high186 Ų18663.8 Ų63.887%0.86931%0.311SS*.SBendtrans-105.5-1.5-175.2-58.3-175.9159.600113Y10Y10-E13 PolarHBondContact OH-N 3.47Å
14R89.1Confident90.5Very high200 Ų20063.8 Ų63.876%0.75531%0.314SS*.SBendtrans-101.8167.9179.3-62.6-172.9-177.7-175.61.8110.5Y10 F16 L142Y10-R14 WeakPolarHBondContact CE1-O 3.38Å; Y10-R14 VanDerWaalsContact CZ-O 3.29Å; Y10-R14 WeakPolarHBondContact OH-CA 3.02Å; Y10-R14 PolarHBondContact OH-N 3.14Å; Y10-R14 PolarHBondContact OH-O 3.03Å; R14-F16 PolarHBondContact O-N 2.93Å; R14-L142 WeakPolarHBondContact O-CB 3.26Å; R14-L142 WeakPolarHBondContact O-CD1 3.44Å
15K92Very high90.6Very high97 Ų9763 Ų6342%0.42231%0.31SS..PPolyproline II helixtrans-55.4136.7173.5-73.3-175.7176.3178.80110.7N17 E102 L142K15-N17 PolarHBondContact O-N 3.11Å; K15-E102 HydrophobicContact CB-CB 3.82Å; K15-E102 HydrophobicContact CB-CG 4.44Å; K15-E102 HydrophobicContact CD-CB 4.16Å; K15-L142 CarbonylContact C-O 3.57Å; K15-L142 WeakPolarHBondContact CA-O 3.14Å
16F93Very high90.8Very high45 Ų4559.1 Ų59.120%0.19729%0.29CS..PPolyproline II helixtrans-58.6137.3175.7176.8-127.4000109.7Y10 R14 R18 L21 E102 G103 L142 N143Y10-F16 VanDerWaalsContact CB-CD2 3.48Å; Y10-F16 HydrophobicContact CD1-CD2 4.27Å; Y10-F16 HydrophobicContact CD2-CD2 4.16Å; Y10-F16 AromaticContact CG-CD2 3.72Å; Y10-F16 HydrophobicContact CG-CD2 3.72Å; Y10-F16 HydrophobicContact CG-CE2 4.4Å; R14-F16 PolarHBondContact O-N 2.93Å; F16-R18 HydrophobicContact CE1-CB 3.67Å; F16-R18 HydrophobicContact CE1-CG 4.37Å; F16-R18 HydrophobicContact CE2-CB 4.44Å; F16-R18 HydrophobicContact CZ-CB 3.62Å; F16-R18 HydrophobicContact CZ-CG 4.1Å; F16-L21 HydrophobicContact CE2-CD2 3.91Å; F16-E102 CarbonylContact O-C 3.48Å; F16-E102 WeakPolarHBondContact O-CA 3.19Å; F16-G103 PolarHBondContact O-N 3Å; F16-L142 PolarHBondContact N-O 2.9Å; F16-N143 HydrophobicContact CB-CB 4.24Å; F16-N143 HydrophobicContact CD1-CB 4.5Å
17N92.9Very high91.2Very high23 Ų2362.2 Ų62.212%0.12331%0.306CS..  trans-135.792.1176.9-173.8-35.4000108.1K15 G19 A20 L21 N99 Y101K15-N17 PolarHBondContact O-N 3.11Å; N17-G19 VanDerWaalsContact C-N 3.33Å; N17-G19 PolarHBondContact O-N 3.49Å; N17-G19 PolarHBondContact OD1-N 3.17Å; N17-A20 HydrophobicContact CB-CB 4.14Å; N17-A20 VanDerWaalsContact CG-CB 3.49Å; N17-A20 VanDerWaalsContact OD1-CB 3.24Å; N17-A20 WeakPolarHBondContact OD1-CB 3.45Å; N17-A20 PolarHBondContact OD1-N 2.97Å; N17-L21 WeakPolarHBondContact O-CB 3.19Å; N17-L21 PolarHBondContact O-N 3.36Å; N17-N99 PolarHBondContact ND2-O 2.89Å; N17-Y101 PolarHBondContact ND2-O 3.06Å; N17-Y101 PolarHBondContact OD1-O 3.25Å
18R94.2Very high91.5Very high16 Ų1663.3 Ų63.36%0.0631%0.307CS..Hα-helixtrans-59.6-44.8-176.7-177.3174171-86.76.1111.8F16 L21 L22 D42 G82 D108F16-R18 HydrophobicContact CE1-CB 3.67Å; F16-R18 HydrophobicContact CE1-CG 4.37Å; F16-R18 HydrophobicContact CE2-CB 4.44Å; F16-R18 HydrophobicContact CZ-CB 3.62Å; F16-R18 HydrophobicContact CZ-CG 4.1Å; R18-L21 PolarHBondContact O-N 3.44Å; R18-L22 HydrophobicContact CG-CD1 4Å; R18-L22 WeakPolarHBondContact O-CG 3.4Å; R18-L22 PolarHBondContact O-N 3.25Å; R18-D42 IonicContact CZ-OD1 3.19Å; R18-D42 IonicContact NE-OD1 3.07Å; R18-D42 PolarHBondContact NE-OD1 2.77Å; R18-D42 IonicContact NH2-OD1 2.88Å; R18-D42 PolarHBondContact NH2-OD1 3.18Å; R18-G82 PolarHBondContact NH2-O 3.06Å; R18-D108 IonicContact CZ-OD1 3.7Å; R18-D108 IonicContact NH1-OD1 3.66Å; R18-D108 PolarHBondContact NH1-OD1 2.92Å; R18-D108 IonicContact NH1-OD2 3.51Å; R18-D108 IonicContact NH2-OD1 3.85Å
19G93.9Very high92.1Very high0 Ų061.7 Ų61.70%030%0.3CS..Hα-helixtrans-60.7-50.1-178.500000112.4N17 L21 L22 N23N17-G19 VanDerWaalsContact C-N 3.33Å; N17-G19 PolarHBondContact O-N 3.49Å; N17-G19 PolarHBondContact OD1-N 3.17Å; G19-L21 VanDerWaalsContact C-N 3.31Å; G19-L21 PolarHBondContact O-N 3.29Å; G19-L22 PolarHBondContact O-N 2.91Å; G19-N23 WeakPolarHBondContact O-CB 3.35Å; G19-N23 VanDerWaalsContact O-CG 3.27Å; G19-N23 PolarHBondContact O-N 2.94Å; G19-N23 PolarHBondContact O-ND2 3.02Å
20A93.1Very high92.6Very high31 Ų3155.2 Ų55.226%0.25628%0.278SS..Hα-helixtrans-62.4-39.2176.900000112.3N17 N23 A24 N99N17-A20 HydrophobicContact CB-CB 4.14Å; N17-A20 VanDerWaalsContact CG-CB 3.49Å; N17-A20 VanDerWaalsContact OD1-CB 3.24Å; N17-A20 WeakPolarHBondContact OD1-CB 3.45Å; N17-A20 PolarHBondContact OD1-N 2.97Å; A20-N23 PolarHBondContact O-N 3.2Å; A20-A24 WeakPolarHBondContact O-CB 3.19Å; A20-A24 PolarHBondContact O-N 3.17Å; A20-N99 VanDerWaalsContact CA-OD1 3.25Å; A20-N99 WeakPolarHBondContact CA-OD1 3.45Å; A20-N99 HydrophobicContact CB-CB 4.34Å
21L94.6Very high93.1Very high34 Ų3458.1 Ų58.118%0.17829%0.293CS..Hα-helixtrans-64.5-43178-176.563.7000112M8 F16 N17 R18 G19 A24 G25M8-L21 HydrophobicContact CB-CD1 4.12Å; M8-L21 HydrophobicContact CB-CD2 3.59Å; M8-L21 HydrophobicContact CB-CG 3.51Å; M8-L21 HydrophobicContact CE-CD1 3.91Å; M8-L21 HydrophobicContact CE-CG 4.4Å; M8-L21 HydrophobicContact CG-CG 4.28Å; F16-L21 HydrophobicContact CE2-CD2 3.91Å; N17-L21 WeakPolarHBondContact O-CB 3.19Å; N17-L21 PolarHBondContact O-N 3.36Å; R18-L21 PolarHBondContact O-N 3.44Å; G19-L21 VanDerWaalsContact C-N 3.31Å; G19-L21 PolarHBondContact O-N 3.29Å; L21-A24 PolarHBondContact O-N 3.25Å; L21-G25 PolarHBondContact O-N 3.34Å
22L96.6Very high93.6Very high7 Ų759.9 Ų59.94%0.03730%0.296CS..Hα-helixtrans-69.4-37.7176.4-71.7172000112.4L6 M8 R18 G19 G25 F26 L40 F97L6-L22 HydrophobicContact CB-CD2 4.48Å; M8-L22 HydrophobicContact CG-CD2 4.23Å; R18-L22 HydrophobicContact CG-CD1 4Å; R18-L22 WeakPolarHBondContact O-CG 3.4Å; R18-L22 PolarHBondContact O-N 3.25Å; G19-L22 PolarHBondContact O-N 2.91Å; L22-G25 PolarHBondContact O-N 3.01Å; L22-F26 PolarHBondContact O-N 2.03Å; L22-L40 HydrophobicContact CD1-CB 4.18Å; L22-L40 HydrophobicContact CD2-CB 4.24Å; L22-F97 HydrophobicContact CB-CD2 4.2Å; L22-F97 HydrophobicContact CB-CE2 4.24Å; L22-F97 HydrophobicContact CD1-CD2 4.22Å; L22-F97 HydrophobicContact CD1-CE2 3.53Å; L22-F97 HydrophobicContact CD1-CZ 3.92Å
23N95.9Very high93.9Very high4 Ų463.5 Ų63.52%0.02130%0.301CS..Hα-helixtrans-59.5-47.2171.6-74.9-17.4000111.6G19 A20 G25 F26 L27 Y91 G96 F97 N99 I162G19-N23 WeakPolarHBondContact O-CB 3.35Å; G19-N23 VanDerWaalsContact O-CG 3.27Å; G19-N23 PolarHBondContact O-N 2.94Å; G19-N23 PolarHBondContact O-ND2 3.02Å; A20-N23 PolarHBondContact O-N 3.2Å; N23-G25 VanDerWaalsContact C-N 3.35Å; N23-G25 PolarHBondContact O-N 3.23Å; N23-F26 WeakPolarHBondContact O-CB 3.43Å; N23-F26 PolarHBondContact O-N 2.98Å; N23-L27 WeakPolarHBondContact O-CG 3.21Å; N23-L27 PolarHBondContact O-N 3Å; N23-Y91 PolarHBondContact OD1-OH 2.71Å; N23-G96 WeakPolarHBondContact OD1-CA 3.38Å; N23-F97 PolarHBondContact ND2-O 3.47Å; N23-F97 PolarHBondContact OD1-N 3.41Å; N23-N99 PolarHBondContact ND2-OD1 2.88Å; N23-I162 HydrophobicContact CB-CG2 3.87Å
24A95Very high94.2Very high44 Ų4462.2 Ų62.236%0.36430%0.295SS..Hα-helixtrans-60.3-45175.200000111.2A20 L21 F26 L27 E28A20-A24 WeakPolarHBondContact O-CB 3.19Å; A20-A24 PolarHBondContact O-N 3.17Å; L21-A24 PolarHBondContact O-N 3.25Å; A24-F26 PolarHBondContact O-N 3.09Å; A24-L27 PolarHBondContact O-N 3.46Å; A24-E28 WeakPolarHBondContact O-CB 3.45Å; A24-E28 WeakPolarHBondContact O-CG 3.45Å; A24-E28 PolarHBondContact O-N 3.3Å
25G95.3Very high94.6Very high2 Ų255 Ų552%0.02127%0.268CS..Hα-helixtrans-56.3-4717500000112.7L21 L22 N23 L27 E28 V29L21-G25 PolarHBondContact O-N 3.34Å; L22-G25 PolarHBondContact O-N 3.01Å; N23-G25 VanDerWaalsContact C-N 3.35Å; N23-G25 PolarHBondContact O-N 3.23Å; G25-L27 PolarHBondContact O-N 2.98Å; G25-E28 PolarHBondContact O-N 3.12Å; G25-V29 WeakPolarHBondContact O-CG1 3.48Å; G25-V29 WeakPolarHBondContact O-CG2 3.4Å; G25-V29 PolarHBondContact O-N 2.78Å
26F97.1Very high94.8Very high2 Ų251.5 Ų51.51%0.00926%0.26CS..Hα-helixtrans-57.5-46.3175.6171-90.5000112.4L6 L22 N23 A24 S30 F38 R88 Y91 L92 I162L6-F26 HydrophobicContact CD1-CB 4.31Å; L22-F26 PolarHBondContact O-N 2.03Å; N23-F26 WeakPolarHBondContact O-CB 3.43Å; N23-F26 PolarHBondContact O-N 2.98Å; A24-F26 PolarHBondContact O-N 3.09Å; F26-S30 WeakPolarHBondContact O-CB 3.06Å; F26-S30 PolarHBondContact O-N 3.39Å; F26-S30 PolarHBondContact O-OG 3.25Å; F26-F38 AromaticContact CD2-CD1 3.52Å; F26-F38 HydrophobicContact CD2-CD1 3.52Å; F26-F38 HydrophobicContact CD2-CD2 4.1Å; F26-F38 AromaticContact CD2-CE1 3.33Å; F26-F38 HydrophobicContact CD2-CE1 3.33Å; F26-F38 AromaticContact CD2-CE2 3.97Å; F26-F38 HydrophobicContact CD2-CE2 3.97Å; F26-F38 AromaticContact CD2-CG 3.89Å; F26-F38 HydrophobicContact CD2-CG 3.89Å; F26-F38 AromaticContact CD2-CZ 3.58Å; F26-F38 HydrophobicContact CD2-CZ 3.58Å; F26-F38 HydrophobicContact CE2-CD1 4.08Å; F26-F38 AromaticContact CE2-CD2 3.85Å; F26-F38 HydrophobicContact CE2-CD2 3.85Å; F26-F38 AromaticContact CE2-CE1 3.7Å; F26-F38 HydrophobicContact CE2-CE1 3.7Å; F26-F38 AromaticContact CE2-CE2 3.49Å; F26-F38 HydrophobicContact CE2-CE2 3.49Å; F26-F38 VanDerWaalsContact CE2-CE2 3.49Å; F26-F38 HydrophobicContact CE2-CG 4.14Å; F26-F38 AromaticContact CE2-CZ 3.38Å; F26-F38 HydrophobicContact CE2-CZ 3.38Å; F26-F38 HydrophobicContact CG-CE1 4.22Å; F26-F38 HydrophobicContact CZ-CE2 4.5Å; F26-F38 HydrophobicContact CZ-CZ 4.31Å; F26-R88 HydrophobicContact CZ-CG 4.43Å; F26-Y91 HydrophobicContact CB-CD1 4.16Å; F26-Y91 HydrophobicContact CB-CE1 3.73Å; F26-Y91 AromaticContact CD1-CD1 3.85Å; F26-Y91 HydrophobicContact CD1-CD1 3.85Å; F26-Y91 HydrophobicContact CD1-CE1 4.02Å; F26-Y91 AromaticContact CD2-CD1 3.35Å; F26-Y91 HydrophobicContact CD2-CD1 3.35Å; F26-Y91 AromaticContact CD2-CE1 3.85Å; F26-Y91 HydrophobicContact CD2-CE1 3.85Å; F26-Y91 HydrophobicContact CD2-CG 4.1Å; F26-Y91 HydrophobicContact CE1-CD1 4.08Å; F26-Y91 AromaticContact CE2-CD1 3.6Å; F26-Y91 HydrophobicContact CE2-CD1 3.6Å; F26-Y91 HydrophobicContact CE2-CE1 4.5Å; F26-Y91 HydrophobicContact CE2-CG 4.15Å; F26-Y91 AromaticContact CG-CD1 3.5Å; F26-Y91 HydrophobicContact CG-CD1 3.5Å; F26-Y91 VanDerWaalsContact CG-CD1 3.5Å; F26-Y91 AromaticContact CG-CE1 3.59Å; F26-Y91 HydrophobicContact CG-CE1 3.59Å; F26-Y91 AromaticContact CZ-CD1 3.97Å; F26-Y91 HydrophobicContact CZ-CD1 3.97Å; F26-L92 HydrophobicContact CE1-CD2 3.64Å; F26-L92 HydrophobicContact CE1-CG 4.44Å; F26-L92 HydrophobicContact CZ-CD2 3.64Å; F26-L92 HydrophobicContact CZ-CG 3.93Å; F26-I162 HydrophobicContact CD1-CG2 4.22Å; F26-I162 HydrophobicContact CE1-CD1 4.46Å
27L96.2Very high95.1Very high69 Ų6949.3 Ų49.336%0.36125%0.25SS..Hα-helixtrans-66.8-43.3179.7-69.7172.8000111.8N23 A24 G25 S30 I162N23-L27 WeakPolarHBondContact O-CG 3.21Å; N23-L27 PolarHBondContact O-N 3Å; A24-L27 PolarHBondContact O-N 3.46Å; G25-L27 PolarHBondContact O-N 2.98Å; L27-S30 WeakPolarHBondContact O-CB 3.32Å; L27-S30 PolarHBondContact O-N 2.81Å; L27-I162 HydrophobicContact CD2-CB 4.46Å; L27-I162 HydrophobicContact CD2-CG2 4.49Å; L27-I162 HydrophobicContact CG-CG2 4.33Å
28E95.7Very high95.3Very high91 Ų9148.2 Ų48.243%0.42524%0.244SC..Hα-helixtrans-68.1-50.2-178.9-70.5-51.4139.900112.1A24 G25 S30 K31 F32A24-E28 WeakPolarHBondContact O-CB 3.45Å; A24-E28 WeakPolarHBondContact O-CG 3.45Å; A24-E28 PolarHBondContact O-N 3.3Å; G25-E28 PolarHBondContact O-N 3.12Å; E28-S30 PolarHBondContact O-N 2.89Å; E28-K31 WeakPolarHBondContact O-CB 3.33Å; E28-K31 PolarHBondContact O-N 2.72Å; E28-K31 IonicContact OE1-NZ 2.65Å; E28-K31 PolarHBondContact OE1-NZ 3Å; E28-K31 WeakPolarHBondContact OE2-CE 3.45Å; E28-K31 IonicContact OE2-NZ 2.77Å; E28-K31 PolarHBondContact OE2-NZ 3.4Å; E28-F32 WeakPolarHBondContact O-CD2 3.32Å; E28-F32 WeakPolarHBondContact O-CE2 3.44Å
29V95.5Very high95.5Very high30 Ų3047.6 Ų47.618%0.18224%0.242CC..Hα-helixtrans-63.5-28.5-179.8-57.70000112.2V4 L6 G25 K31 F32 K33 Y35 F38V4-V29 HydrophobicContact CG1-CG2 4.17Å; V4-V29 HydrophobicContact CG2-CG2 4.49Å; L6-V29 HydrophobicContact CD2-CB 4.38Å; L6-V29 HydrophobicContact CD2-CG1 3.59Å; L6-V29 HydrophobicContact CD2-CG2 3.94Å; G25-V29 WeakPolarHBondContact O-CG1 3.48Å; G25-V29 WeakPolarHBondContact O-CG2 3.4Å; G25-V29 PolarHBondContact O-N 2.78Å; V29-K31 PolarHBondContact O-N 2.86Å; V29-F32 PolarHBondContact O-N 2.86Å; V29-F32 VanDerWaalsContact O-N 3.17Å; V29-K33 PolarHBondContact O-N 3.46Å; V29-Y35 HydrophobicContact CB-CD2 4.49Å; V29-Y35 HydrophobicContact CB-CE2 4.25Å; V29-Y35 HydrophobicContact CG2-CD2 4.31Å; V29-F38 HydrophobicContact CG2-CD1 4.33Å; V29-F38 HydrophobicContact CG2-CE1 3.62Å
30S95.3Very high95.7Very high26 Ų2647.6 Ų47.618%0.18224%0.242CC..Hα-helixtrans-64.7-20.8176.3-75.30000114F26 L27 E28 R88F26-S30 WeakPolarHBondContact O-CB 3.06Å; F26-S30 PolarHBondContact O-N 3.39Å; F26-S30 PolarHBondContact O-OG 3.25Å; L27-S30 WeakPolarHBondContact O-CB 3.32Å; L27-S30 PolarHBondContact O-N 2.81Å; E28-S30 PolarHBondContact O-N 2.89Å; S30-R88 PolarHBondContact OG-NH1 3Å; S30-R88 PolarHBondContact OG-NH2 2.88Å
31K95.4Very high95.9Very high144 Ų14446.8 Ų46.863%0.62623%0.233SC*.Hα-helixtrans-76.5-28.2175-60.9173.2-168.2168.20112.4E28 V29E28-K31 WeakPolarHBondContact O-CB 3.33Å; E28-K31 PolarHBondContact O-N 2.72Å; E28-K31 IonicContact OE1-NZ 2.65Å; E28-K31 PolarHBondContact OE1-NZ 3Å; E28-K31 WeakPolarHBondContact OE2-CE 3.45Å; E28-K31 IonicContact OE2-NZ 2.77Å; E28-K31 PolarHBondContact OE2-NZ 3.4Å; V29-K31 PolarHBondContact O-N 2.86Å
32F92.2Very high95.9Very high169 Ų16946.7 Ų46.774%0.74123%0.233SC*.Hα-helixtrans-84.3-36.8-176.5-63.8-84.2000112.5E28 V29E28-F32 WeakPolarHBondContact O-CD2 3.32Å; E28-F32 WeakPolarHBondContact O-CE2 3.44Å; V29-F32 PolarHBondContact O-N 2.86Å; V29-F32 VanDerWaalsContact O-N 3.17Å
33K92.5Very high95.8Very high113 Ų11350.8 Ų50.849%0.49126%0.258SS..  trans-160.5151.9-177.3-167170.7-173.9179.10111.7L2 V29 Y35L2-K33 HydrophobicContact CD2-CD 3.51Å; L2-K33 HydrophobicContact CD2-CG 4.29Å; V29-K33 PolarHBondContact O-N 3.46Å; K33-Y35 HydrophobicContact CB-CD2 4.24Å; K33-Y35 HydrophobicContact CB-CE1 4.45Å; K33-Y35 HydrophobicContact CB-CE2 3.66Å; K33-Y35 HydrophobicContact CD-CE1 4.2Å; K33-Y35 VanDerWaalsContact O-CD2 3.26Å; K33-Y35 WeakPolarHBondContact O-CD2 3.47Å; K33-Y35 PolarHBondContact O-N 3.02Å; K33-Y35 VanDerWaalsContact O-N 3.11Å
34E93.4Very high95.6Very high159 Ų15951.8 Ų51.874%0.74326%0.263SS*.  trans-77.195.8169.9-166.3176175.500110.8
35Y96.7Very high95.7Very high48 Ų4850.7 Ų50.719%0.18825%0.25CS..  trans-87.2135.4169.6-61-78.5000110.2L2 V4 V29 K33 F38 R88L2-Y35 HydrophobicContact CB-CD1 4.48Å; L2-Y35 HydrophobicContact CD2-CD1 3.59Å; L2-Y35 HydrophobicContact CD2-CE1 3.51Å; L2-Y35 HydrophobicContact CG-CD1 3.74Å; L2-Y35 HydrophobicContact CG-CE1 3.95Å; V4-Y35 HydrophobicContact CB-CD1 3.65Å; V4-Y35 HydrophobicContact CB-CD2 4.13Å; V4-Y35 HydrophobicContact CB-CE1 3.89Å; V4-Y35 HydrophobicContact CB-CE2 4.34Å; V4-Y35 HydrophobicContact CB-CG 3.78Å; V4-Y35 HydrophobicContact CG1-CD1 4.07Å; V4-Y35 HydrophobicContact CG1-CD2 3.99Å; V4-Y35 HydrophobicContact CG1-CG 3.69Å; V4-Y35 HydrophobicContact CG2-CE1 4.43Å; V4-Y35 HydrophobicContact CG2-CE2 4.43Å; V29-Y35 HydrophobicContact CB-CD2 4.49Å; V29-Y35 HydrophobicContact CB-CE2 4.25Å; V29-Y35 HydrophobicContact CG2-CD2 4.31Å; K33-Y35 HydrophobicContact CB-CD2 4.24Å; K33-Y35 HydrophobicContact CB-CE1 4.45Å; K33-Y35 HydrophobicContact CB-CE2 3.66Å; K33-Y35 HydrophobicContact CD-CE1 4.2Å; K33-Y35 VanDerWaalsContact O-CD2 3.26Å; K33-Y35 WeakPolarHBondContact O-CD2 3.47Å; K33-Y35 PolarHBondContact O-N 3.02Å; K33-Y35 VanDerWaalsContact O-N 3.11Å; Y35-F38 WeakPolarHBondContact O-CE2 3.36Å; Y35-R88 PolarHBondContact O-NH1 3.21Å
36G97Very high95.7Very high24 Ų2454.7 Ų54.725%0.24727%0.271CS..SBendtrans-92.9-19.9177.700000113.3L2 T87 R88L2-G36 PolarHBondContact O-N 3.39Å; G36-T87 CarbonylContact O-C 3.54Å; G36-T87 WeakPolarHBondContact O-CA 3.4Å; G36-R88 PolarHBondContact O-N 2.77Å
37C98.2Very high95.7Very high0 Ų057.5 Ų57.50%029%0.289CS..EExtended strand (participates in β ladder)trans-135.9135.3-178.7175.20000111.1M1 L2 C3 V4 C56M1-C37 HydrophobicContact CE-CB 3.91Å; M1-C37 HydrophobicContact CG-CB 4Å; M1-C37 HydrophobicContact SD-CB 3.85Å; L2-C37 PolarHBondContact O-N 3.44Å; L2-C37 VanDerWaalsContact O-N 3.14Å; C3-C37 CarbonylContact C-O 3.52Å; C3-C37 VanDerWaalsContact CA-O 3.3Å; C3-C37 WeakPolarHBondContact CA-O 3.46Å; C3-C37 HydrophobicContact CB-CB 4.2Å; C3-C37 VanDerWaalsContact SG-CB 3.57Å; V4-C37 PolarHBondContact N-O 2.65Å; C37-C56 WeakPolarHBondContact CA-SG 3.35Å; C37-C56 HydrophobicContact CB-CB 3.7Å; C37-C56 WeakPolarHBondContact CB-SG 3.5Å; C37-C56 WeakPolarHBondContact SG-CB 3.29Å; C37-C56 PolarHBondContact SG-N 3.46Å; C37-C56 CovalentContact SG-SG 2.03Å; C37-C56 PolarHBondContact SG-SG 3.03Å
38F98.4Very high95.7Very high0 Ų057.8 Ų57.80%029%0.289CS..EExtended strand (participates in β ladder)trans-123.3126.3-177.9-67.7-99.5000108.7V4 L6 F26 V29 Y35 L40 T85 F86 R88V4-F38 HydrophobicContact CG1-CD1 3.42Å; V4-F38 VanDerWaalsContact CG1-CD1 3.42Å; V4-F38 HydrophobicContact CG1-CE1 3.69Å; V4-F38 HydrophobicContact CG1-CG 4.04Å; V4-F38 HydrophobicContact CG1-CZ 4.45Å; L6-F38 HydrophobicContact CD1-CD1 4.02Å; F26-F38 AromaticContact CD2-CD1 3.52Å; F26-F38 HydrophobicContact CD2-CD1 3.52Å; F26-F38 HydrophobicContact CD2-CD2 4.1Å; F26-F38 AromaticContact CD2-CE1 3.33Å; F26-F38 HydrophobicContact CD2-CE1 3.33Å; F26-F38 AromaticContact CD2-CE2 3.97Å; F26-F38 HydrophobicContact CD2-CE2 3.97Å; F26-F38 AromaticContact CD2-CG 3.89Å; F26-F38 HydrophobicContact CD2-CG 3.89Å; F26-F38 AromaticContact CD2-CZ 3.58Å; F26-F38 HydrophobicContact CD2-CZ 3.58Å; F26-F38 HydrophobicContact CE2-CD1 4.08Å; F26-F38 AromaticContact CE2-CD2 3.85Å; F26-F38 HydrophobicContact CE2-CD2 3.85Å; F26-F38 AromaticContact CE2-CE1 3.7Å; F26-F38 HydrophobicContact CE2-CE1 3.7Å; F26-F38 AromaticContact CE2-CE2 3.49Å; F26-F38 HydrophobicContact CE2-CE2 3.49Å; F26-F38 VanDerWaalsContact CE2-CE2 3.49Å; F26-F38 HydrophobicContact CE2-CG 4.14Å; F26-F38 AromaticContact CE2-CZ 3.38Å; F26-F38 HydrophobicContact CE2-CZ 3.38Å; F26-F38 HydrophobicContact CG-CE1 4.22Å; F26-F38 HydrophobicContact CZ-CE2 4.5Å; F26-F38 HydrophobicContact CZ-CZ 4.31Å; V29-F38 HydrophobicContact CG2-CD1 4.33Å; V29-F38 HydrophobicContact CG2-CE1 3.62Å; Y35-F38 WeakPolarHBondContact O-CE2 3.36Å; F38-L40 HydrophobicContact CB-CD2 4.35Å; F38-T85 CarbonylContact O-C 3.53Å; F38-T85 WeakPolarHBondContact O-CA 3.35Å; F38-F86 PolarHBondContact N-O 3.41Å; F38-F86 PolarHBondContact O-N 3.03Å; F38-R88 HydrophobicContact CD2-CB 4.48Å; F38-R88 HydrophobicContact CE2-CB 3.87Å; F38-R88 HydrophobicContact CE2-CG 4.04Å
39I98.1Very high95.7Very high2 Ų255.3 Ų55.31%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-108.4110.1174.2-58.185.4000106.6C3 V4 L5 L6 Y54 V83 T85C3-I39 HydrophobicContact CB-CD1 3.76Å; V4-I39 WeakPolarHBondContact O-CD1 3.25Å; V4-I39 PolarHBondContact O-N 2.86Å; L5-I39 HydrophobicContact CD1-CB 3.85Å; L5-I39 HydrophobicContact CD1-CG2 3.64Å; L6-I39 PolarHBondContact N-O 2.99Å; I39-Y54 HydrophobicContact CB-CD1 4.28Å; I39-Y54 HydrophobicContact CG1-CD1 4.19Å; I39-Y54 HydrophobicContact CG2-CD1 3.75Å; I39-Y54 HydrophobicContact CG2-CE1 4.01Å; I39-V83 HydrophobicContact CG2-CG1 3.84Å; I39-T85 HydrophobicContact CG1-CG2 4Å; I39-T85 HydrophobicContact CG2-CG2 4.37Å
40L98Very high95.6Very high0 Ų061.2 Ų61.20%031%0.309CS..EExtended strand (participates in β ladder)trans-90.2119.4178.9-45.3-177.6000107L6 L22 F38 V83 V84 F86 Y91 F97L6-L40 HydrophobicContact CB-CD2 4.35Å; L6-L40 HydrophobicContact CD1-CD2 3.72Å; L6-L40 HydrophobicContact CG-CD2 4.44Å; L22-L40 HydrophobicContact CD1-CB 4.18Å; L22-L40 HydrophobicContact CD2-CB 4.24Å; F38-L40 HydrophobicContact CB-CD2 4.35Å; L40-V83 VanDerWaalsContact O-CA 3.31Å; L40-V83 WeakPolarHBondContact O-CA 3.36Å; L40-V84 HydrophobicContact CB-CG2 3.96Å; L40-V84 HydrophobicContact CD1-CG2 4.15Å; L40-V84 HydrophobicContact CG-CG2 4.35Å; L40-V84 PolarHBondContact N-O 3.38Å; L40-V84 PolarHBondContact O-N 2.95Å; L40-F86 HydrophobicContact CD1-CD2 3.81Å; L40-F86 HydrophobicContact CD1-CE2 3.93Å; L40-F86 HydrophobicContact CG-CD2 4.33Å; L40-Y91 HydrophobicContact CD1-CD2 4.17Å; L40-Y91 HydrophobicContact CD1-CE2 3.43Å; L40-Y91 VanDerWaalsContact CD1-CE2 3.43Å; L40-F97 HydrophobicContact CD1-CD2 4.46Å; L40-F97 HydrophobicContact CD1-CE2 3.68Å
41H97.4Very high95.5Very high15 Ų1566 Ų667%0.06933%0.328CS..EExtended strand (participates in β ladder)trans-139.5120.9-162.4-166.7-68.9000111.3L5 L6 V7 K45 Y54 V83 Y132L5-H41 HydrophobicContact CD1-CB 3.45Å; L5-H41 VanDerWaalsContact CD1-CB 3.45Å; L6-H41 PolarHBondContact O-N 3.2Å; L6-H41 VanDerWaalsContact O-N 3.14Å; V7-H41 HydrophobicContact CG2-CB 4.36Å; H41-K45 PolarHBondContact CE1-O 3.09Å; H41-Y54 AromaticContact CD2-CE1 3.59Å; H41-Y54 AromaticContact CD2-CZ 3.89Å; H41-Y54 PolarHBondContact CD2-OH 2.98Å; H41-Y54 AromaticContact NE2-CE1 3.88Å; H41-Y54 AromaticContact NE2-CZ 3.78Å; H41-Y54 PolarHBondContact NE2-OH 3.12Å; H41-V83 HydrophobicContact CB-CG1 4.32Å; H41-V83 HydrophobicContact CB-CG2 4.45Å; H41-V83 WeakPolarHBondContact CD2-CG1 3.38Å; H41-V83 VanDerWaalsContact CD2-CG2 3.42Å; H41-V83 WeakPolarHBondContact CD2-CG2 3.38Å; H41-Y132 AromaticContact NE2-CE1 3.86Å
42D94.9Very high95.5Very high32 Ų3259.7 Ų59.717%0.17130%0.301CS..  trans-59.4135.6170.2-76.89.3000111R18 D44 K45 G82R18-D42 IonicContact CZ-OD1 3.19Å; R18-D42 IonicContact NE-OD1 3.07Å; R18-D42 PolarHBondContact NE-OD1 2.77Å; R18-D42 IonicContact NH2-OD1 2.88Å; R18-D42 PolarHBondContact NH2-OD1 3.18Å; D42-D44 WeakPolarHBondContact CB-OD1 3.33Å; D42-D44 PolarHBondContact O-N 2.91Å; D42-K45 HydrophobicContact CB-CG 3.65Å; D42-K45 PolarHBondContact O-N 2.92Å; D42-K45 IonicContact OD2-NZ 3.45Å; D42-K45 PolarHBondContact OD2-NZ 3.05Å; D42-G82 PolarHBondContact N-O 3.06Å; D42-G82 WeakPolarHBondContact OD2-CA 3.4Å
43V92.7Very high95.6Very high92 Ų9257.3 Ų57.356%0.55830%0.295SS*.THydrogen-bonded Turntrans-64.9-22.1-175.666.70000113.7V7V7-V43 HydrophobicContact CG1-CB 3.77Å; V7-V43 HydrophobicContact CG1-CG2 3.72Å
44D93Very high95.7Very high26 Ų2654.8 Ų54.814%0.13928%0.283CS..THydrogen-bonded Turntrans-99.18.8-17471.6-36000113.6D42 A134 L135 H137D42-D44 WeakPolarHBondContact CB-OD1 3.33Å; D42-D44 PolarHBondContact O-N 2.91Å; D44-A134 CarbonylContact O-C 3.55Å; D44-A134 WeakPolarHBondContact O-CA 3.33Å; D44-L135 HydrophobicContact CB-CB 4.23Å; D44-L135 PolarHBondContact O-N 3.01Å; D44-H137 IonicContact OD2-CD2 2.72Å; D44-H137 IonicContact OD2-NE2 3.22Å
45K95.8Very high95.8Very high20 Ų2050.5 Ų50.59%0.08727%0.268CS..EExtended strand (participates in β ladder)trans-106.5128.4-179.3-55-56.2-172.6-730110.6H41 D42 L67 V83 Y132 Y133 A134H41-K45 PolarHBondContact CE1-O 3.09Å; D42-K45 HydrophobicContact CB-CG 3.65Å; D42-K45 PolarHBondContact O-N 2.92Å; D42-K45 IonicContact OD2-NZ 3.45Å; D42-K45 PolarHBondContact OD2-NZ 3.05Å; K45-L67 HydrophobicContact CD-CD2 3.64Å; K45-L67 HydrophobicContact CG-CD2 4.49Å; K45-V83 HydrophobicContact CB-CG2 4.13Å; K45-Y132 HydrophobicContact CB-CD1 3.84Å; K45-Y133 CarbonylContact C-O 3.56Å; K45-Y133 WeakPolarHBondContact CA-O 3.33Å; K45-A134 HydrophobicContact CD-CB 3.8Å
46L96.4Very high95.8Very high86 Ų8648.9 Ų48.945%0.4526%0.263SS..EExtended strand (participates in β ladder)trans-119.2127.7177.5-62.4177.9000110.1Y132 Y133 L135L46-Y132 VanDerWaalsContact C-CD1 3.43Å; L46-Y132 CarbonylContact O-C 3.52Å; L46-Y132 WeakPolarHBondContact O-CA 3.47Å; L46-Y133 PolarHBondContact N-O 3.01Å; L46-Y133 PolarHBondContact O-N 3.31Å; L46-L135 HydrophobicContact CD1-CD2 3.81Å; L46-L135 HydrophobicContact CD1-CG 4.33Å
47P96.9Very high95.8Very high61 Ų6148.9 Ų48.940%0.39626%0.263SS..EExtended strand (participates in β ladder)trans-64.7135.9175.726.9-32.9000110.5I52 Y132P47-I52 HydrophobicContact CB-CD1 3.66Å; P47-Y132 HydrophobicContact CB-CD1 4.35Å; P47-Y132 HydrophobicContact CB-CE1 3.87Å; P47-Y132 HydrophobicContact CB-CE2 4.48Å; P47-Y132 HydrophobicContact CG-CE1 4.34Å
48E97.1Very high95.7Very high76 Ų7654.5 Ų54.536%0.35530%0.3SS..SBendtrans-94.7-13.6177.8-69.6178.3-163.800113.3Y72 R131 Y133E48-Y72 VanDerWaalsContact OE1-CE1 3.22Å; E48-Y72 WeakPolarHBondContact OE1-CE1 3.38Å; E48-Y72 PolarHBondContact OE1-OH 2.97Å; E48-Y72 WeakPolarHBondContact OE2-CE1 3.48Å; E48-Y72 PolarHBondContact OE2-OH 3.19Å; E48-R131 HydrophobicContact CB-CB 4.07Å; E48-R131 PolarHBondContact N-O 3.38Å; E48-R131 IonicContact OE2-CZ 3.46Å; E48-R131 IonicContact OE2-NE 3.07Å; E48-R131 PolarHBondContact OE2-NE 2.84Å; E48-R131 VanDerWaalsContact OE2-NE 3.07Å; E48-R131 IonicContact OE2-NH2 2.97Å; E48-R131 PolarHBondContact OE2-NH2 2.81Å; E48-Y133 WeakPolarHBondContact OE1-CA 3.3Å; E48-Y133 WeakPolarHBondContact OE1-CB 3.38Å; E48-Y133 PolarHBondContact OE1-N 3.46Å
49D94.7Very high95.7Very high39 Ų3956.3 Ų56.321%0.20931%0.31CS..  trans-125.8128.8-176.9-166.1-37.6000109.4Q51 I52 T129D49-Q51 PolarHBondContact O-N 2.84Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.25Å; D49-Q51 WeakPolarHBondContact OD1-CG 3.3Å; D49-Q51 PolarHBondContact OD1-N 2.75Å; D49-Q51 PolarHBondContact OD1-NE2 2.85Å; D49-Q51 PolarHBondContact OD2-NE2 3.45Å; D49-I52 HydrophobicContact CB-CD1 4.18Å; D49-I52 HydrophobicContact CB-CG1 4.2Å; D49-I52 WeakPolarHBondContact O-CD1 3.28Å; D49-I52 WeakPolarHBondContact O-CG1 3.43Å; D49-I52 PolarHBondContact O-N 2.83Å; D49-T129 HydrophobicContact CB-CG2 4.43Å; D49-T129 WeakPolarHBondContact CB-O 3.17Å
50D93.8Very high95.7Very high153 Ų15356.2 Ų56.282%0.81831%0.309SS*.THydrogen-bonded Turntrans-74.2-10.5-179.263.3-12.2000113I52D50-I52 PolarHBondContact O-N 2.93Å
51Q94Very high95.7Very high127 Ų12757.1 Ų57.159%0.59332%0.315SS*.THydrogen-bonded Turntrans-78.4-4.7171.7-61166.986.400112.9D49 I53 T129D49-Q51 PolarHBondContact O-N 2.84Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.25Å; D49-Q51 WeakPolarHBondContact OD1-CG 3.3Å; D49-Q51 PolarHBondContact OD1-N 2.75Å; D49-Q51 PolarHBondContact OD1-NE2 2.85Å; D49-Q51 PolarHBondContact OD2-NE2 3.45Å; Q51-I53 PolarHBondContact O-N 2.99Å; Q51-T129 HydrophobicContact CB-CG2 3.92Å
52I95.2Very high95.8Very high12 Ų1256.4 Ų56.46%0.06231%0.311CS..  trans-72.896.8172.8-58164.8000108.8P47 D49 D50 Y54 L63 I125 T129 Y132P47-I52 HydrophobicContact CB-CD1 3.66Å; D49-I52 HydrophobicContact CB-CD1 4.18Å; D49-I52 HydrophobicContact CB-CG1 4.2Å; D49-I52 WeakPolarHBondContact O-CD1 3.28Å; D49-I52 WeakPolarHBondContact O-CG1 3.43Å; D49-I52 PolarHBondContact O-N 2.83Å; D50-I52 PolarHBondContact O-N 2.93Å; I52-Y54 HydrophobicContact CG2-CD2 4.23Å; I52-Y54 HydrophobicContact CG2-CE2 3.89Å; I52-Y54 WeakPolarHBondContact O-CD2 3.44Å; I52-L63 HydrophobicContact CG2-CB 4.42Å; I52-L63 HydrophobicContact CG2-CD1 4.43Å; I52-I125 HydrophobicContact CG1-CD1 4.33Å; I52-I125 HydrophobicContact CG2-CD1 4.21Å; I52-T129 VanDerWaalsContact CD1-O 3.29Å; I52-T129 WeakPolarHBondContact CD1-O 3.41Å; I52-T129 HydrophobicContact CG1-CG2 4.2Å; I52-T129 VanDerWaalsContact CG1-O 3.29Å; I52-T129 WeakPolarHBondContact CG1-O 3.35Å; I52-Y132 HydrophobicContact CD1-CD2 4.2Å; I52-Y132 HydrophobicContact CD1-CE2 3.72Å; I52-Y132 HydrophobicContact CG2-CE2 4.19Å; I52-Y132 WeakPolarHBondContact CG2-OH 3.26Å
53I92.5Very high95.9Very high119 Ų11955.2 Ų55.261%0.6131%0.305SS*.  trans-85.7124.5-179.3-59.3166.1000110.5Q51 T55Q51-I53 PolarHBondContact O-N 2.99Å; I53-T55 VanDerWaalsContact C-N 3.31Å; I53-T55 HydrophobicContact CG2-CG2 3.99Å; I53-T55 PolarHBondContact O-N 2.86Å
54Y94.8Very high96Very high60 Ų6050.8 Ų50.824%0.23528%0.278CS..  trans-82.275.6179.2-78.2-136.4000110.4C3 L5 I39 H41 I52 L63 Y132C3-Y54 PolarHBondContact SG-O 3.19Å; L5-Y54 HydrophobicContact CD1-CD1 4.02Å; L5-Y54 HydrophobicContact CD1-CE1 3.79Å; L5-Y54 HydrophobicContact CD2-CE1 4.32Å; I39-Y54 HydrophobicContact CB-CD1 4.28Å; I39-Y54 HydrophobicContact CG1-CD1 4.19Å; I39-Y54 HydrophobicContact CG2-CD1 3.75Å; I39-Y54 HydrophobicContact CG2-CE1 4.01Å; H41-Y54 AromaticContact CD2-CE1 3.59Å; H41-Y54 AromaticContact CD2-CZ 3.89Å; H41-Y54 PolarHBondContact CD2-OH 2.98Å; H41-Y54 AromaticContact NE2-CE1 3.88Å; H41-Y54 AromaticContact NE2-CZ 3.78Å; H41-Y54 PolarHBondContact NE2-OH 3.12Å; I52-Y54 HydrophobicContact CG2-CD2 4.23Å; I52-Y54 HydrophobicContact CG2-CE2 3.89Å; I52-Y54 WeakPolarHBondContact O-CD2 3.44Å; Y54-L63 HydrophobicContact CD2-CD1 4.29Å; Y54-L63 HydrophobicContact CE2-CD1 4.49Å; Y54-L63 HydrophobicContact CG-CD1 4.49Å; Y54-Y132 VanDerWaalsContact CE2-OH 3.32Å; Y54-Y132 WeakPolarHBondContact CE2-OH 3.45Å; Y54-Y132 VanDerWaalsContact CZ-OH 3.32Å; Y54-Y132 WeakPolarHBondContact OH-CE1 3.29Å; Y54-Y132 PolarHBondContact OH-OH 3.44Å
55T95.5Very high96Very high69 Ų6949.7 Ų49.742%0.42327%0.272SS..  trans-132.2165.9179.8-166.40000111.3I53I53-T55 VanDerWaalsContact C-N 3.31Å; I53-T55 HydrophobicContact CG2-CG2 3.99Å; I53-T55 PolarHBondContact O-N 2.86Å
56C97.7Very high95.9Very high13 Ų1348.8 Ų48.89%0.08827%0.269CS..  trans-107.6142.6177.2-64.10000110.6M1 C37 F86 T87M1-C56 HydrophobicContact CE-CB 3.8Å; M1-C56 WeakPolarHBondContact CE-O 3.48Å; M1-C56 HydrophobicContact SD-CB 4.47Å; C37-C56 WeakPolarHBondContact CA-SG 3.35Å; C37-C56 HydrophobicContact CB-CB 3.7Å; C37-C56 WeakPolarHBondContact CB-SG 3.5Å; C37-C56 WeakPolarHBondContact SG-CB 3.29Å; C37-C56 PolarHBondContact SG-N 3.46Å; C37-C56 CovalentContact SG-SG 2.03Å; C37-C56 PolarHBondContact SG-SG 3.03Å; C56-F86 PolarHBondContact SG-O 3.41Å; C56-T87 HydrophobicContact CB-CG2 3.65Å
57G95.9Very high95.9Very high25 Ų2545 Ų4526%0.25825%0.249SC..  trans-110-173.4178.100000113.4N59 Q90G57-N59 PolarHBondContact O-N 2.83Å; G57-Q90 PolarHBondContact O-NE2 2.81Å
58P97.4Very high95.8Very high118 Ų11843.1 Ų43.177%0.76624%0.237SC*.SBendtrans-63.1-21.2175.727-35.1000113.1Q90P58-Q90 PolarHBondContact O-NE2 2.98Å
59N98.4Very high95.6Very high38 Ų3843.8 Ų43.820%0.20325%0.247CC..SBendtrans-124.2148.6175.9-74.6-61000110.6G57 T61 N121G57-N59 PolarHBondContact O-N 2.83Å; N59-T61 PolarHBondContact O-N 3.04Å; N59-T61 PolarHBondContact O-OG1 3.14Å; N59-N121 WeakPolarHBondContact CB-O 3.3Å; N59-N121 PolarHBondContact OD1-N 2.69Å
60P98.3Very high95.5Very high0 Ų046 Ų460%026%0.255CS..  trans-54129.6168.6-27.238.6000110.9F80 T85 F86 Q90 V115 Y120 S123P60-F80 HydrophobicContact CB-CE1 4.49Å; P60-F80 HydrophobicContact CB-CZ 3.72Å; P60-T85 VanDerWaalsContact CA-O 3.25Å; P60-T85 WeakPolarHBondContact CA-O 3.34Å; P60-F86 HydrophobicContact CB-CD1 3.78Å; P60-F86 HydrophobicContact CB-CE1 3.5Å; P60-F86 VanDerWaalsContact CB-CE1 3.5Å; P60-F86 HydrophobicContact CB-CG 4.43Å; P60-F86 HydrophobicContact CB-CZ 3.93Å; P60-F86 HydrophobicContact CG-CD1 3.64Å; P60-F86 HydrophobicContact CG-CE1 3.49Å; P60-F86 VanDerWaalsContact CG-CE1 3.49Å; P60-F86 HydrophobicContact CG-CZ 4.38Å; P60-Q90 HydrophobicContact CG-CB 4.35Å; P60-Q90 HydrophobicContact CG-CG 4.35Å; P60-V115 HydrophobicContact CB-CG1 4.22Å; P60-V115 HydrophobicContact CB-CG2 4.16Å; P60-V115 HydrophobicContact CG-CG1 3.88Å; P60-V115 HydrophobicContact CG-CG2 4.01Å; P60-Y120 HydrophobicContact CG-CG 4.49Å; P60-S123 WeakPolarHBondContact O-CB 3.44Å; P60-S123 PolarHBondContact O-N 2.96Å; P60-S123 VanDerWaalsContact O-N 3.07Å
61T98Very high95.6Very high19 Ų1945.1 Ų45.112%0.11725%0.25CC..EExtended strand (participates in β ladder)trans-119.4132.5-168.8-60.50000110.7N59 L63 V84 T85 S123N59-T61 PolarHBondContact O-N 3.04Å; N59-T61 PolarHBondContact O-OG1 3.14Å; T61-L63 HydrophobicContact CG2-CD2 4.1Å; T61-V84 CarbonylContact O-C 3.59Å; T61-V84 VanDerWaalsContact O-CA 3.3Å; T61-V84 WeakPolarHBondContact O-CA 3.28Å; T61-T85 WeakPolarHBondContact CB-OG1 3.44Å; T61-T85 PolarHBondContact N-O 2.84Å; T61-T85 PolarHBondContact N-OG1 3.05Å; T61-T85 PolarHBondContact O-N 3.4Å; T61-T85 PolarHBondContact O-OG1 3.2Å; T61-S123 CarbonylContact C-O 3.57Å; T61-S123 VanDerWaalsContact CA-O 3.28Å; T61-S123 WeakPolarHBondContact CA-O 3.17Å; T61-S123 VanDerWaalsContact OG1-CB 3.25Å; T61-S123 WeakPolarHBondContact OG1-CB 3.43Å; T61-S123 PolarHBondContact OG1-OG 3.11Å
62H97.9Very high95.6Very high0 Ų042.8 Ų42.80%024%0.236CC..EExtended strand (participates in β ladder)trans-91.8118.7172.4176.2-133.2000110.6S64 A65 F79 F80 G81 V83 V84 S123 R124 I125H62-S64 PolarHBondContact CD2-OG 3.29Å; H62-S64 PolarHBondContact CE1-O 2.93Å; H62-S64 VanDerWaalsContact NE2-C 3.25Å; H62-S64 PolarHBondContact NE2-O 3.44Å; H62-S64 PolarHBondContact NE2-OG 3.42Å; H62-A65 WeakPolarHBondContact CE1-CA 3.45Å; H62-A65 PolarHBondContact CE1-N 3.14Å; H62-F79 AromaticContact CE1-CD1 3.52Å; H62-F79 AromaticContact CE1-CE1 3.56Å; H62-F79 AromaticContact NE2-CD1 3.94Å; H62-F79 AromaticContact NE2-CE1 3.54Å; H62-F80 HydrophobicContact CB-CD2 3.61Å; H62-F80 HydrophobicContact CB-CE2 3.79Å; H62-G81 PolarHBondContact CD2-O 2.89Å; H62-G81 PolarHBondContact NE2-O 3.48Å; H62-V83 PolarHBondContact CD2-O 2.93Å; H62-V84 HydrophobicContact CB-CG1 4.24Å; H62-S123 PolarHBondContact N-O 3.21Å; H62-R124 HydrophobicContact CB-CG 4.44Å; H62-R124 PolarHBondContact CE1-NH1 3.07Å; H62-R124 PolarHBondContact ND1-NH1 2.82Å; H62-I125 PolarHBondContact O-N 3.45Å
63L97.4Very high95.5Very high6 Ų649.3 Ų49.33%0.03126%0.264CS..SBendtrans-91-35.5-178.5-60.1-175.8000112.1I52 Y54 T61 A65 V83 T85 I125 G130 Y132I52-L63 HydrophobicContact CG2-CB 4.42Å; I52-L63 HydrophobicContact CG2-CD1 4.43Å; Y54-L63 HydrophobicContact CD2-CD1 4.29Å; Y54-L63 HydrophobicContact CE2-CD1 4.49Å; Y54-L63 HydrophobicContact CG-CD1 4.49Å; T61-L63 HydrophobicContact CG2-CD2 4.1Å; L63-A65 PolarHBondContact O-N 3.42Å; L63-V83 HydrophobicContact CB-CB 4.22Å; L63-V83 HydrophobicContact CB-CG1 3.98Å; L63-V83 HydrophobicContact CD1-CG1 4.05Å; L63-V83 HydrophobicContact CG-CG1 4.41Å; L63-V83 PolarHBondContact N-O 2.92Å; L63-T85 HydrophobicContact CD1-CG2 3.55Å; L63-T85 HydrophobicContact CD2-CG2 4.31Å; L63-T85 HydrophobicContact CG-CG2 3.8Å; L63-I125 HydrophobicContact CD2-CB 4.41Å; L63-I125 HydrophobicContact CD2-CD1 4.38Å; L63-I125 WeakPolarHBondContact O-CG2 3.09Å; L63-G130 WeakPolarHBondContact O-CA 3.35Å; L63-Y132 HydrophobicContact CB-CE2 4.19Å; L63-Y132 WeakPolarHBondContact O-CE2 3.4Å
64S95.9Very high95.4Very high0 Ų046.6 Ų46.60%025%0.25CS..  trans-84.147.2179.454.70000113.6H62 S66 G81 V83H62-S64 PolarHBondContact CD2-OG 3.29Å; H62-S64 PolarHBondContact CE1-O 2.93Å; H62-S64 VanDerWaalsContact NE2-C 3.25Å; H62-S64 PolarHBondContact NE2-O 3.44Å; H62-S64 PolarHBondContact NE2-OG 3.42Å; S64-S66 PolarHBondContact O-N 2.94Å; S64-S66 VanDerWaalsContact O-N 3.16Å; S64-G81 PolarHBondContact OG-O 2.9Å; S64-G81 VanDerWaalsContact OG-O 3.04Å; S64-V83 PolarHBondContact N-O 3.3Å; S64-V83 PolarHBondContact OG-N 2.86Å
65A92Very high95.1Very high2 Ų246.9 Ų46.92%0.01726%0.255CS..  trans-60.2-26.8-175.600000113.8H62 L63 R124 I125 V127 G130H62-A65 WeakPolarHBondContact CE1-CA 3.45Å; H62-A65 PolarHBondContact CE1-N 3.14Å; L63-A65 PolarHBondContact O-N 3.42Å; A65-R124 HydrophobicContact CB-CG 3.61Å; A65-I125 HydrophobicContact CB-CG2 4.04Å; A65-V127 HydrophobicContact CB-CG1 4.11Å; A65-G130 PolarHBondContact N-O 2.77Å
66S94.7Very high95Very high2 Ų248 Ų481%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-132.9114.2-176.3-1770000109.8S64 Y72 V127 G130 R131 Y132S64-S66 PolarHBondContact O-N 2.94Å; S64-S66 VanDerWaalsContact O-N 3.16Å; S66-Y72 WeakPolarHBondContact OG-CA 3.2Å; S66-Y72 WeakPolarHBondContact OG-CB 3.42Å; S66-Y72 PolarHBondContact OG-O 3.43Å; S66-V127 WeakPolarHBondContact CB-O 3.15Å; S66-G130 WeakPolarHBondContact CB-O 3.35Å; S66-G130 PolarHBondContact N-O 3.12Å; S66-R131 CarbonylContact O-C 3.57Å; S66-R131 WeakPolarHBondContact O-CA 3.43Å; S66-Y132 PolarHBondContact O-N 2.95Å
67L95.8Very high94.7Very high6 Ų655.1 Ų55.13%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-114137.3-173.2-76.5170.1000111.1K45 T69 F70 Y72 F79 Y132K45-L67 HydrophobicContact CD-CD2 3.64Å; K45-L67 HydrophobicContact CG-CD2 4.49Å; L67-T69 VanDerWaalsContact C-N 3.29Å; L67-T69 PolarHBondContact O-N 3.18Å; L67-F70 HydrophobicContact CB-CD2 3.85Å; L67-F70 HydrophobicContact CD1-CD2 4.2Å; L67-F70 HydrophobicContact CD1-CE2 4.15Å; L67-F70 PolarHBondContact O-N 3.07Å; L67-Y72 WeakPolarHBondContact O-CA 3.31Å; L67-Y72 PolarHBondContact O-N 2.81Å; L67-F79 HydrophobicContact CD1-CE1 3.94Å; L67-F79 HydrophobicContact CD1-CZ 4.07Å; L67-Y132 WeakPolarHBondContact CA-O 3.3Å
68S95.8Very high94.6Very high21 Ų2158.7 Ų58.715%0.14729%0.29CS..G310 helixtrans-58.3-37.4-180670000113.2F70 N71 Y72 Y132 A134S68-F70 PolarHBondContact O-N 3.17Å; S68-N71 PolarHBondContact O-N 3.26Å; S68-Y72 WeakPolarHBondContact CB-OH 3.39Å; S68-Y132 PolarHBondContact N-O 3.42Å; S68-A134 PolarHBondContact OG-N 2.85Å
69T92.9Very high94.5Very high91 Ų9154 Ų5456%0.55826%0.257SS*.G310 helixtrans-55.7-27.1176.2-47.30000113.1L67 A134L67-T69 VanDerWaalsContact C-N 3.29Å; L67-T69 PolarHBondContact O-N 3.18Å; T69-A134 WeakPolarHBondContact OG1-CB 3.22Å
70F92.3Very high94.4Very high86 Ų8652.1 Ų52.138%0.37725%0.248SC..G310 helixtrans-110.426.5-178.4-54.4-75.6000111.9L67 S68 Y72 K73 I75L67-F70 HydrophobicContact CB-CD2 3.85Å; L67-F70 HydrophobicContact CD1-CD2 4.2Å; L67-F70 HydrophobicContact CD1-CE2 4.15Å; L67-F70 PolarHBondContact O-N 3.07Å; S68-F70 PolarHBondContact O-N 3.17Å; F70-Y72 PolarHBondContact O-N 3.01Å; F70-K73 WeakPolarHBondContact O-CB 3.35Å; F70-K73 PolarHBondContact O-N 3.07Å; F70-I75 HydrophobicContact CB-CG1 4.31Å; F70-I75 HydrophobicContact CD1-CD1 4.36Å; F70-I75 HydrophobicContact CD1-CG1 4.04Å; F70-I75 HydrophobicContact CD1-CG2 4.3Å; F70-I75 HydrophobicContact CD2-CD1 3.51Å; F70-I75 HydrophobicContact CD2-CG1 3.5Å; F70-I75 VanDerWaalsContact CD2-CG1 3.5Å; F70-I75 HydrophobicContact CE1-CD1 4.08Å; F70-I75 HydrophobicContact CE1-CG1 4.23Å; F70-I75 HydrophobicContact CE1-CG2 4.19Å; F70-I75 HydrophobicContact CE2-CD1 3.17Å; F70-I75 HydrophobicContact CE2-CG1 3.73Å; F70-I75 HydrophobicContact CG-CD1 4.1Å; F70-I75 HydrophobicContact CG-CG1 3.67Å; F70-I75 HydrophobicContact CZ-CD1 3.48Å; F70-I75 VanDerWaalsContact CZ-CD1 3.48Å; F70-I75 HydrophobicContact CZ-CG1 4.08Å
71N94.4Very high94.2Very high133 Ų13352.1 Ų52.171%0.71125%0.248SC*.THydrogen-bonded Turntrans52.140-177.2-63.5-49000112.5S68 K73S68-N71 PolarHBondContact O-N 3.26Å; N71-K73 PolarHBondContact O-N 3.29Å; N71-K73 VanDerWaalsContact O-N 3.14Å
72Y94.4Very high94.1Very high78 Ų7851.3 Ų51.331%0.30624%0.243SC..THydrogen-bonded Turntrans6022.6-179.6-56.8-71.5000114.4E48 S66 L67 S68 F70 R131E48-Y72 VanDerWaalsContact OE1-CE1 3.22Å; E48-Y72 WeakPolarHBondContact OE1-CE1 3.38Å; E48-Y72 PolarHBondContact OE1-OH 2.97Å; E48-Y72 WeakPolarHBondContact OE2-CE1 3.48Å; E48-Y72 PolarHBondContact OE2-OH 3.19Å; S66-Y72 WeakPolarHBondContact OG-CA 3.2Å; S66-Y72 WeakPolarHBondContact OG-CB 3.42Å; S66-Y72 PolarHBondContact OG-O 3.43Å; L67-Y72 WeakPolarHBondContact O-CA 3.31Å; L67-Y72 PolarHBondContact O-N 2.81Å; S68-Y72 WeakPolarHBondContact CB-OH 3.39Å; F70-Y72 PolarHBondContact O-N 3.01Å; Y72-R131 HydrophobicContact CD1-CB 4.31Å; Y72-R131 HydrophobicContact CD1-CG 4.08Å; Y72-R131 HydrophobicContact CE1-CB 4.44Å; Y72-R131 VanDerWaalsContact CE2-NH2 3.26Å
73K92.5Very high94.1Very high150 Ų15051.3 Ų51.365%0.65224%0.243SC*.  trans-98.5143.5172.1-63.1179.5-178.8179.80109.8F70 N71 I75F70-K73 WeakPolarHBondContact O-CB 3.35Å; F70-K73 PolarHBondContact O-N 3.07Å; N71-K73 PolarHBondContact O-N 3.29Å; N71-K73 VanDerWaalsContact O-N 3.14Å; K73-I75 PolarHBondContact O-N 3.42Å
74L92.3Very high94.2Very high61 Ų6151 Ų5132%0.31924%0.242SC..  trans-63.3125167.8-178.560.8000108.7Y76 F79L74-Y76 WeakPolarHBondContact CG-O 3.41Å; L74-Y76 PolarHBondContact O-N 2.84Å; L74-F79 HydrophobicContact CD1-CB 4.08Å; L74-F79 HydrophobicContact CD1-CD1 4.09Å
75I88Confident94.3Very high66 Ų6651 Ų5134%0.33824%0.242SC..SBendtrans-61.4-46-173.5-44.8174.6000110.9F70 K73 F79F70-I75 HydrophobicContact CB-CG1 4.31Å; F70-I75 HydrophobicContact CD1-CD1 4.36Å; F70-I75 HydrophobicContact CD1-CG1 4.04Å; F70-I75 HydrophobicContact CD1-CG2 4.3Å; F70-I75 HydrophobicContact CD2-CD1 3.51Å; F70-I75 HydrophobicContact CD2-CG1 3.5Å; F70-I75 VanDerWaalsContact CD2-CG1 3.5Å; F70-I75 HydrophobicContact CE1-CD1 4.08Å; F70-I75 HydrophobicContact CE1-CG1 4.23Å; F70-I75 HydrophobicContact CE1-CG2 4.19Å; F70-I75 HydrophobicContact CE2-CD1 3.17Å; F70-I75 HydrophobicContact CE2-CG1 3.73Å; F70-I75 HydrophobicContact CG-CD1 4.1Å; F70-I75 HydrophobicContact CG-CG1 3.67Å; F70-I75 HydrophobicContact CZ-CD1 3.48Å; F70-I75 VanDerWaalsContact CZ-CD1 3.48Å; F70-I75 HydrophobicContact CZ-CG1 4.08Å; K73-I75 PolarHBondContact O-N 3.42Å; I75-F79 HydrophobicContact CD1-CD1 4.07Å; I75-F79 HydrophobicContact CD1-CD2 3.97Å; I75-F79 HydrophobicContact CD1-CE1 3.97Å; I75-F79 HydrophobicContact CD1-CE2 3.86Å; I75-F79 HydrophobicContact CD1-CG 4.07Å; I75-F79 HydrophobicContact CD1-CZ 3.86Å; I75-F79 HydrophobicContact CG1-CD1 4.36Å; I75-F79 HydrophobicContact CG1-CG 4.46Å
76Y92.5Very high94.6Very high92 Ų9251 Ų5136%0.36124%0.241SC..SBendtrans-159155.7173.453.2-85.8000108.8L74 R78 F79 D109L74-Y76 WeakPolarHBondContact CG-O 3.41Å; L74-Y76 PolarHBondContact O-N 2.84Å; Y76-R78 HydrophobicContact CD2-CB 4.32Å; Y76-R78 PolarHBondContact O-N 2.98Å; Y76-R78 VanDerWaalsContact O-N 3.1Å; Y76-F79 HydrophobicContact CD1-CB 4.13Å; Y76-F79 HydrophobicContact CD2-CB 3.98Å; Y76-F79 VanDerWaalsContact CD2-N 3.34Å; Y76-F79 HydrophobicContact CE1-CB 3.91Å; Y76-F79 AromaticContact CE1-CD2 3.9Å; Y76-F79 HydrophobicContact CE1-CD2 3.9Å; Y76-F79 HydrophobicContact CE1-CG 4.29Å; Y76-F79 VanDerWaalsContact CE2-CA 3.43Å; Y76-F79 HydrophobicContact CE2-CB 3.8Å; Y76-F79 VanDerWaalsContact CE2-N 3.31Å; Y76-F79 HydrophobicContact CG-CB 4.15Å; Y76-F79 AromaticContact CZ-CD2 3.81Å; Y76-F79 VanDerWaalsContact O-CB 3.3Å; Y76-F79 WeakPolarHBondContact O-CB 3.32Å; Y76-F79 PolarHBondContact O-N 3.36Å; Y76-D109 VanDerWaalsContact CE2-OD1 3.3Å; Y76-D109 WeakPolarHBondContact CE2-OD1 3.29Å; Y76-D109 PolarHBondContact OH-OD1 2.76Å; Y76-D109 PolarHBondContact OH-OD2 3.16Å
77E92.9Very high94.8Very high164 Ų16452.1 Ų52.177%0.76625%0.248SC*.THydrogen-bonded Turntrans-51.4-41-170.4-176.1178.3-17400113.6R124E77-R124 PolarHBondContact O-NH2 3.46Å
78R93.6Very high94.9Very high100 Ų10054 Ų5438%0.37726%0.255SS..THydrogen-bonded Turntrans-93.412.3-176.1-67.4-172.655.6120.32.2114.6Y76 F80 L112 E116Y76-R78 HydrophobicContact CD2-CB 4.32Å; Y76-R78 PolarHBondContact O-N 2.98Å; Y76-R78 VanDerWaalsContact O-N 3.1Å; R78-F80 PolarHBondContact O-N 3.45Å; R78-L112 HydrophobicContact CB-CD2 3.88Å; R78-L112 HydrophobicContact CG-CD2 4.48Å; R78-L112 WeakPolarHBondContact O-CD2 3.24Å; R78-E116 IonicContact CZ-OE1 2.97Å; R78-E116 IonicContact CZ-OE2 2.95Å; R78-E116 VanDerWaalsContact CZ-OE2 3.23Å; R78-E116 IonicContact NH1-OE1 2.65Å; R78-E116 PolarHBondContact NH1-OE1 3.41Å; R78-E116 IonicContact NH1-OE2 2.65Å; R78-E116 PolarHBondContact NH1-OE2 2.92Å; R78-E116 IonicContact NH2-OE1 3.23Å; R78-E116 PolarHBondContact NH2-OE1 3.32Å; R78-E116 VanDerWaalsContact NH2-OE1 3.07Å; R78-E116 IonicContact NH2-OE2 3.99Å; R78-E116 PolarHBondContact NH2-OE2 3Å
79F94.2Very high95Very high18 Ų1858.7 Ų58.78%0.07928%0.278CS..  trans-65.3125.5177.8174.6-112.6000111.5H62 L67 L74 I75 Y76 R124H62-F79 AromaticContact CE1-CD1 3.52Å; H62-F79 AromaticContact CE1-CE1 3.56Å; H62-F79 AromaticContact NE2-CD1 3.94Å; H62-F79 AromaticContact NE2-CE1 3.54Å; L67-F79 HydrophobicContact CD1-CE1 3.94Å; L67-F79 HydrophobicContact CD1-CZ 4.07Å; L74-F79 HydrophobicContact CD1-CB 4.08Å; L74-F79 HydrophobicContact CD1-CD1 4.09Å; I75-F79 HydrophobicContact CD1-CD1 4.07Å; I75-F79 HydrophobicContact CD1-CD2 3.97Å; I75-F79 HydrophobicContact CD1-CE1 3.97Å; I75-F79 HydrophobicContact CD1-CE2 3.86Å; I75-F79 HydrophobicContact CD1-CG 4.07Å; I75-F79 HydrophobicContact CD1-CZ 3.86Å; I75-F79 HydrophobicContact CG1-CD1 4.36Å; I75-F79 HydrophobicContact CG1-CG 4.46Å; Y76-F79 HydrophobicContact CD1-CB 4.13Å; Y76-F79 HydrophobicContact CD2-CB 3.98Å; Y76-F79 VanDerWaalsContact CD2-N 3.34Å; Y76-F79 HydrophobicContact CE1-CB 3.91Å; Y76-F79 AromaticContact CE1-CD2 3.9Å; Y76-F79 HydrophobicContact CE1-CD2 3.9Å; Y76-F79 HydrophobicContact CE1-CG 4.29Å; Y76-F79 VanDerWaalsContact CE2-CA 3.43Å; Y76-F79 HydrophobicContact CE2-CB 3.8Å; Y76-F79 VanDerWaalsContact CE2-N 3.31Å; Y76-F79 HydrophobicContact CG-CB 4.15Å; Y76-F79 AromaticContact CZ-CD2 3.81Å; Y76-F79 VanDerWaalsContact O-CB 3.3Å; Y76-F79 WeakPolarHBondContact O-CB 3.32Å; Y76-F79 PolarHBondContact O-N 3.36Å; F79-R124 VanDerWaalsContact O-CZ 3.3Å; F79-R124 PolarHBondContact O-NH1 3.46Å; F79-R124 PolarHBondContact O-NH2 3.19Å
80F96.3Very high95.2Very high0 Ų054.6 Ų54.60%025%0.253CS..  trans-139.748.4-176.1-168.8-108.7000111.5P60 H62 R78 V84 F86 L111 L112 V115 L122P60-F80 HydrophobicContact CB-CE1 4.49Å; P60-F80 HydrophobicContact CB-CZ 3.72Å; H62-F80 HydrophobicContact CB-CD2 3.61Å; H62-F80 HydrophobicContact CB-CE2 3.79Å; R78-F80 PolarHBondContact O-N 3.45Å; F80-V84 HydrophobicContact CD1-CG1 3.95Å; F80-V84 HydrophobicContact CD2-CG1 3.93Å; F80-V84 HydrophobicContact CE1-CB 4Å; F80-V84 HydrophobicContact CE1-CG1 3.78Å; F80-V84 HydrophobicContact CE1-CG2 4.35Å; F80-V84 HydrophobicContact CE2-CB 4.29Å; F80-V84 HydrophobicContact CE2-CG1 3.79Å; F80-V84 HydrophobicContact CG-CG1 4.01Å; F80-V84 HydrophobicContact CZ-CB 3.8Å; F80-V84 HydrophobicContact CZ-CG1 3.69Å; F80-F86 HydrophobicContact CE1-CE2 4.04Å; F80-F86 AromaticContact CE1-CZ 3.72Å; F80-F86 HydrophobicContact CE1-CZ 3.72Å; F80-F86 HydrophobicContact CZ-CE2 4.32Å; F80-F86 HydrophobicContact CZ-CZ 4.12Å; F80-L111 HydrophobicContact CD1-CD2 3.87Å; F80-L111 HydrophobicContact CD1-CG 4.37Å; F80-L111 HydrophobicContact CE1-CD2 3.77Å; F80-L111 HydrophobicContact CE1-CG 4.32Å; F80-L112 HydrophobicContact CB-CB 3.96Å; F80-L112 HydrophobicContact CB-CD1 4.38Å; F80-L112 HydrophobicContact CB-CD2 4.22Å; F80-L112 HydrophobicContact CB-CG 4.41Å; F80-L112 HydrophobicContact CD1-CB 4.26Å; F80-L112 HydrophobicContact CG-CB 4.33Å; F80-L112 HydrophobicContact CG-CD1 4.27Å; F80-V115 HydrophobicContact CE1-CG2 4.28Å; F80-L122 HydrophobicContact CB-CD1 4.47Å; F80-L122 HydrophobicContact CD2-CD1 3.24Å; F80-L122 HydrophobicContact CE2-CD1 3.75Å; F80-L122 HydrophobicContact CG-CD1 4.17Å
81G95.6Very high95.5Very high0 Ų050.5 Ų50.50%024%0.235CC..  trans-116.1-166.4-178.400000113.4H62 S64 V83 D108H62-G81 PolarHBondContact CD2-O 2.89Å; H62-G81 PolarHBondContact NE2-O 3.48Å; S64-G81 PolarHBondContact OG-O 2.9Å; S64-G81 VanDerWaalsContact OG-O 3.04Å; G81-V83 PolarHBondContact O-N 3.49Å; G81-D108 WeakPolarHBondContact CA-OD2 3.4Å
82G95.8Very high95.6Very high2 Ų248 Ų482%0.02122%0.221CC..SBendtrans71.5-90.7176.700000113R18 D42R18-G82 PolarHBondContact NH2-O 3.06Å; D42-G82 PolarHBondContact N-O 3.06Å; D42-G82 WeakPolarHBondContact OD2-CA 3.4Å
83V97.8Very high95.7Very high0 Ų050 Ų500%023%0.231CC..EExtended strand (participates in β ladder)trans-126.9111.8-178.9-171.30000110.3I39 L40 H41 K45 H62 L63 S64 G81 Y132I39-V83 HydrophobicContact CG2-CG1 3.84Å; L40-V83 VanDerWaalsContact O-CA 3.31Å; L40-V83 WeakPolarHBondContact O-CA 3.36Å; H41-V83 HydrophobicContact CB-CG1 4.32Å; H41-V83 HydrophobicContact CB-CG2 4.45Å; H41-V83 WeakPolarHBondContact CD2-CG1 3.38Å; H41-V83 VanDerWaalsContact CD2-CG2 3.42Å; H41-V83 WeakPolarHBondContact CD2-CG2 3.38Å; K45-V83 HydrophobicContact CB-CG2 4.13Å; H62-V83 PolarHBondContact CD2-O 2.93Å; L63-V83 HydrophobicContact CB-CB 4.22Å; L63-V83 HydrophobicContact CB-CG1 3.98Å; L63-V83 HydrophobicContact CD1-CG1 4.05Å; L63-V83 HydrophobicContact CG-CG1 4.41Å; L63-V83 PolarHBondContact N-O 2.92Å; S64-V83 PolarHBondContact N-O 3.3Å; S64-V83 PolarHBondContact OG-N 2.86Å; G81-V83 PolarHBondContact O-N 3.49Å; V83-Y132 HydrophobicContact CB-CE1 4.43Å; V83-Y132 HydrophobicContact CG2-CD1 4.2Å; V83-Y132 HydrophobicContact CG2-CE1 3.75Å
84V98.3Very high95.8Very high0 Ų043.1 Ų43.10%020%0.201CC..EExtended strand (participates in β ladder)trans-131.8149.5-178.8-650000111.5L40 T61 H62 F80 F86 L111L40-V84 HydrophobicContact CB-CG2 3.96Å; L40-V84 HydrophobicContact CD1-CG2 4.15Å; L40-V84 HydrophobicContact CG-CG2 4.35Å; L40-V84 PolarHBondContact N-O 3.38Å; L40-V84 PolarHBondContact O-N 2.95Å; T61-V84 CarbonylContact O-C 3.59Å; T61-V84 VanDerWaalsContact O-CA 3.3Å; T61-V84 WeakPolarHBondContact O-CA 3.28Å; H62-V84 HydrophobicContact CB-CG1 4.24Å; F80-V84 HydrophobicContact CD1-CG1 3.95Å; F80-V84 HydrophobicContact CD2-CG1 3.93Å; F80-V84 HydrophobicContact CE1-CB 4Å; F80-V84 HydrophobicContact CE1-CG1 3.78Å; F80-V84 HydrophobicContact CE1-CG2 4.35Å; F80-V84 HydrophobicContact CE2-CB 4.29Å; F80-V84 HydrophobicContact CE2-CG1 3.79Å; F80-V84 HydrophobicContact CG-CG1 4.01Å; F80-V84 HydrophobicContact CZ-CB 3.8Å; F80-V84 HydrophobicContact CZ-CG1 3.69Å; V84-F86 HydrophobicContact CB-CE2 4.26Å; V84-F86 HydrophobicContact CG2-CD2 4.37Å; V84-F86 HydrophobicContact CG2-CE2 3.79Å; V84-L111 HydrophobicContact CG2-CD2 4.23Å
85T98.4Very high95.9Very high0 Ų042.8 Ų42.80%020%0.2CC..EExtended strand (participates in β ladder)trans-117.5140.1-176.572.50000111.9F38 I39 P60 T61 L63F38-T85 CarbonylContact O-C 3.53Å; F38-T85 WeakPolarHBondContact O-CA 3.35Å; I39-T85 HydrophobicContact CG1-CG2 4Å; I39-T85 HydrophobicContact CG2-CG2 4.37Å; P60-T85 VanDerWaalsContact CA-O 3.25Å; P60-T85 WeakPolarHBondContact CA-O 3.34Å; T61-T85 WeakPolarHBondContact CB-OG1 3.44Å; T61-T85 PolarHBondContact N-O 2.84Å; T61-T85 PolarHBondContact N-OG1 3.05Å; T61-T85 PolarHBondContact O-N 3.4Å; T61-T85 PolarHBondContact O-OG1 3.2Å; L63-T85 HydrophobicContact CD1-CG2 3.55Å; L63-T85 HydrophobicContact CD2-CG2 4.31Å; L63-T85 HydrophobicContact CG-CG2 3.8Å
86F98.5Very high96.3Very high0 Ų039.7 Ų39.70%018%0.184CC..EExtended strand (participates in β ladder)trans-136.9134.2175.7-71.5-93.5000111F38 L40 C56 P60 F80 V84 Q90 Y91 I94 L111 V115F38-F86 PolarHBondContact N-O 3.41Å; F38-F86 PolarHBondContact O-N 3.03Å; L40-F86 HydrophobicContact CD1-CD2 3.81Å; L40-F86 HydrophobicContact CD1-CE2 3.93Å; L40-F86 HydrophobicContact CG-CD2 4.33Å; C56-F86 PolarHBondContact SG-O 3.41Å; P60-F86 HydrophobicContact CB-CD1 3.78Å; P60-F86 HydrophobicContact CB-CE1 3.5Å; P60-F86 VanDerWaalsContact CB-CE1 3.5Å; P60-F86 HydrophobicContact CB-CG 4.43Å; P60-F86 HydrophobicContact CB-CZ 3.93Å; P60-F86 HydrophobicContact CG-CD1 3.64Å; P60-F86 HydrophobicContact CG-CE1 3.49Å; P60-F86 VanDerWaalsContact CG-CE1 3.49Å; P60-F86 HydrophobicContact CG-CZ 4.38Å; F80-F86 HydrophobicContact CE1-CE2 4.04Å; F80-F86 AromaticContact CE1-CZ 3.72Å; F80-F86 HydrophobicContact CE1-CZ 3.72Å; F80-F86 HydrophobicContact CZ-CE2 4.32Å; F80-F86 HydrophobicContact CZ-CZ 4.12Å; V84-F86 HydrophobicContact CB-CE2 4.26Å; V84-F86 HydrophobicContact CG2-CD2 4.37Å; V84-F86 HydrophobicContact CG2-CE2 3.79Å; F86-Q90 HydrophobicContact CD1-CB 4.01Å; F86-Y91 HydrophobicContact CB-CD2 3.99Å; F86-Y91 HydrophobicContact CB-CG 4.4Å; F86-Y91 HydrophobicContact CD1-CD2 4.03Å; F86-Y91 AromaticContact CD2-CD2 3.88Å; F86-Y91 HydrophobicContact CD2-CD2 3.88Å; F86-Y91 HydrophobicContact CD2-CE2 4.32Å; F86-Y91 HydrophobicContact CE1-CD2 4.44Å; F86-Y91 HydrophobicContact CE2-CD2 4.31Å; F86-Y91 HydrophobicContact CE2-CE2 4.48Å; F86-Y91 AromaticContact CG-CD2 3.71Å; F86-Y91 HydrophobicContact CG-CD2 3.71Å; F86-I94 HydrophobicContact CD1-CD1 4.26Å; F86-I94 HydrophobicContact CE1-CD1 3.48Å; F86-I94 VanDerWaalsContact CE1-CD1 3.48Å; F86-I94 HydrophobicContact CE1-CG1 4.31Å; F86-I94 HydrophobicContact CZ-CD1 3.82Å; F86-L111 HydrophobicContact CE2-CD2 3.95Å; F86-L111 HydrophobicContact CZ-CD1 4.11Å; F86-L111 HydrophobicContact CZ-CD2 3.9Å; F86-L111 HydrophobicContact CZ-CG 4.06Å; F86-V115 HydrophobicContact CE1-CG2 3.63Å; F86-V115 HydrophobicContact CZ-CG2 3.82Å
87T98.3Very high96.4Very high27 Ų2735.3 Ų35.317%0.16617%0.167CC..EExtended strand (participates in β ladder)trans-64156.115966.70000109.5M1 G36 C56 N89 Q90 Y91M1-T87 HydrophobicContact SD-CG2 4.36Å; G36-T87 CarbonylContact O-C 3.54Å; G36-T87 WeakPolarHBondContact O-CA 3.4Å; C56-T87 HydrophobicContact CB-CG2 3.65Å; T87-N89 PolarHBondContact O-N 3.33Å; T87-Q90 PolarHBondContact O-N 2.8Å; T87-Q90 VanDerWaalsContact O-N 3.09Å; T87-Q90 WeakPolarHBondContact OG1-CB 3.22Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.35Å; T87-Q90 PolarHBondContact OG1-N 2.99Å; T87-Q90 PolarHBondContact OG1-OE1 2.82Å; T87-Y91 PolarHBondContact O-N 3.2Å
88R97.4Very high96.4Very high46 Ų4627.8 Ų27.817%0.17413%0.132CC..Hα-helixtrans-48.4-50.2174.3-169.5-179.5-159.679.612111.7F26 S30 Y35 G36 F38 Q90 Y91 L92F26-R88 HydrophobicContact CZ-CG 4.43Å; S30-R88 PolarHBondContact OG-NH1 3Å; S30-R88 PolarHBondContact OG-NH2 2.88Å; Y35-R88 PolarHBondContact O-NH1 3.21Å; G36-R88 PolarHBondContact O-N 2.77Å; F38-R88 HydrophobicContact CD2-CB 4.48Å; F38-R88 HydrophobicContact CE2-CB 3.87Å; F38-R88 HydrophobicContact CE2-CG 4.04Å; R88-Q90 PolarHBondContact O-N 3.04Å; R88-Y91 PolarHBondContact O-N 2.92Å; R88-L92 HydrophobicContact CG-CD1 4.1Å; R88-L92 WeakPolarHBondContact O-CG 3.49Å; R88-L92 PolarHBondContact O-N 3.42Å
89N97.8Very high96.3Very high118 Ų11825.9 Ų25.963%0.63113%0.13SC*.Hα-helixtrans-66.2-36.4-177.9-67.5-14.3000112.4T87 K93T87-N89 PolarHBondContact O-N 3.33Å; N89-K93 WeakPolarHBondContact O-CB 3.38Å; N89-K93 PolarHBondContact O-N 3.46Å
90Q98.2Very high96.2Very high6 Ų629.7 Ų29.73%0.02815%0.15CC..Hα-helixtrans-63.4-49.4173.8-74.9157.5-5.100110.7G57 P58 P60 F86 T87 R88 L92 K93 I94 Y120G57-Q90 PolarHBondContact O-NE2 2.81Å; P58-Q90 PolarHBondContact O-NE2 2.98Å; P60-Q90 HydrophobicContact CG-CB 4.35Å; P60-Q90 HydrophobicContact CG-CG 4.35Å; F86-Q90 HydrophobicContact CD1-CB 4.01Å; T87-Q90 PolarHBondContact O-N 2.8Å; T87-Q90 VanDerWaalsContact O-N 3.09Å; T87-Q90 WeakPolarHBondContact OG1-CB 3.22Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.35Å; T87-Q90 PolarHBondContact OG1-N 2.99Å; T87-Q90 PolarHBondContact OG1-OE1 2.82Å; R88-Q90 PolarHBondContact O-N 3.04Å; Q90-L92 PolarHBondContact O-N 2.78Å; Q90-K93 PolarHBondContact O-N 3.45Å; Q90-I94 WeakPolarHBondContact O-CG1 3.11Å; Q90-I94 WeakPolarHBondContact O-CG2 3.05Å; Q90-I94 PolarHBondContact O-N 2.99Å; Q90-Y120 HydrophobicContact CB-CE2 4.09Å; Q90-Y120 HydrophobicContact CG-CD1 4.31Å; Q90-Y120 HydrophobicContact CG-CD2 4.36Å; Q90-Y120 HydrophobicContact CG-CE1 3.79Å; Q90-Y120 HydrophobicContact CG-CE2 3.8Å
91Y97.8Very high96Very high0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-64-41.2-176.8-157.1-107000112.6N23 F26 L40 F86 T87 R88 I94 N95 G96 F97 I162N23-Y91 PolarHBondContact OD1-OH 2.71Å; F26-Y91 HydrophobicContact CB-CD1 4.16Å; F26-Y91 HydrophobicContact CB-CE1 3.73Å; F26-Y91 AromaticContact CD1-CD1 3.85Å; F26-Y91 HydrophobicContact CD1-CD1 3.85Å; F26-Y91 HydrophobicContact CD1-CE1 4.02Å; F26-Y91 AromaticContact CD2-CD1 3.35Å; F26-Y91 HydrophobicContact CD2-CD1 3.35Å; F26-Y91 AromaticContact CD2-CE1 3.85Å; F26-Y91 HydrophobicContact CD2-CE1 3.85Å; F26-Y91 HydrophobicContact CD2-CG 4.1Å; F26-Y91 HydrophobicContact CE1-CD1 4.08Å; F26-Y91 AromaticContact CE2-CD1 3.6Å; F26-Y91 HydrophobicContact CE2-CD1 3.6Å; F26-Y91 HydrophobicContact CE2-CE1 4.5Å; F26-Y91 HydrophobicContact CE2-CG 4.15Å; F26-Y91 AromaticContact CG-CD1 3.5Å; F26-Y91 HydrophobicContact CG-CD1 3.5Å; F26-Y91 VanDerWaalsContact CG-CD1 3.5Å; F26-Y91 AromaticContact CG-CE1 3.59Å; F26-Y91 HydrophobicContact CG-CE1 3.59Å; F26-Y91 AromaticContact CZ-CD1 3.97Å; F26-Y91 HydrophobicContact CZ-CD1 3.97Å; L40-Y91 HydrophobicContact CD1-CD2 4.17Å; L40-Y91 HydrophobicContact CD1-CE2 3.43Å; L40-Y91 VanDerWaalsContact CD1-CE2 3.43Å; F86-Y91 HydrophobicContact CB-CD2 3.99Å; F86-Y91 HydrophobicContact CB-CG 4.4Å; F86-Y91 HydrophobicContact CD1-CD2 4.03Å; F86-Y91 AromaticContact CD2-CD2 3.88Å; F86-Y91 HydrophobicContact CD2-CD2 3.88Å; F86-Y91 HydrophobicContact CD2-CE2 4.32Å; F86-Y91 HydrophobicContact CE1-CD2 4.44Å; F86-Y91 HydrophobicContact CE2-CD2 4.31Å; F86-Y91 HydrophobicContact CE2-CE2 4.48Å; F86-Y91 AromaticContact CG-CD2 3.71Å; F86-Y91 HydrophobicContact CG-CD2 3.71Å; T87-Y91 PolarHBondContact O-N 3.2Å; R88-Y91 PolarHBondContact O-N 2.92Å; Y91-I94 HydrophobicContact CD2-CD1 4.31Å; Y91-I94 VanDerWaalsContact O-CG1 3.31Å; Y91-I94 WeakPolarHBondContact O-CG1 3.35Å; Y91-N95 PolarHBondContact O-N 3.29Å; Y91-G96 PolarHBondContact O-N 3.21Å; Y91-F97 HydrophobicContact CE2-CD2 4.45Å; Y91-F97 WeakPolarHBondContact OH-CD2 3.39Å; Y91-I162 HydrophobicContact CD1-CD1 4.41Å; Y91-I162 HydrophobicContact CE1-CG2 4.25Å
92L96.4Very high95.8Very high80 Ų8034.3 Ų34.342%0.41917%0.172SC..Hα-helixtrans-62.9-44.7172.5-68.2176.5000111.9F26 R88 Q90 I94 N95 I162F26-L92 HydrophobicContact CE1-CD2 3.64Å; F26-L92 HydrophobicContact CE1-CG 4.44Å; F26-L92 HydrophobicContact CZ-CD2 3.64Å; F26-L92 HydrophobicContact CZ-CG 3.93Å; R88-L92 HydrophobicContact CG-CD1 4.1Å; R88-L92 WeakPolarHBondContact O-CG 3.49Å; R88-L92 PolarHBondContact O-N 3.42Å; Q90-L92 PolarHBondContact O-N 2.78Å; L92-I94 PolarHBondContact O-N 3.49Å; L92-N95 PolarHBondContact O-N 2.83Å; L92-N95 VanDerWaalsContact O-N 3.12Å; L92-I162 HydrophobicContact CD2-CD1 3.83Å
93K96.4Very high95.7Very high121 Ų12134.4 Ų34.453%0.52617%0.173SC..Hα-helixtrans-64.3-38.8-177.8-171.6-176.1-173.9-166.70112.8N89 Q90 N95 S118 Y120N89-K93 WeakPolarHBondContact O-CB 3.38Å; N89-K93 PolarHBondContact O-N 3.46Å; Q90-K93 PolarHBondContact O-N 3.45Å; K93-N95 PolarHBondContact O-N 2.95Å; K93-S118 VanDerWaalsContact CE-O 3.26Å; K93-S118 WeakPolarHBondContact CE-O 3.31Å; K93-S118 PolarHBondContact NZ-O 2.72Å; K93-Y120 HydrophobicContact CB-CE2 4.31Å; K93-Y120 HydrophobicContact CD-CE2 3.65Å; K93-Y120 VanDerWaalsContact CD-OH 3.3Å; K93-Y120 WeakPolarHBondContact CD-OH 3.44Å; K93-Y120 HydrophobicContact CG-CE2 4.4Å
94I95.2Very high95.4Very high5 Ų540.9 Ų40.93%0.02620%0.198CC..THydrogen-bonded Turntrans-79.2-4.5178.268.5152.6000112.9F86 Q90 Y91 L92 G96 L111 R114 V115 Y120F86-I94 HydrophobicContact CD1-CD1 4.26Å; F86-I94 HydrophobicContact CE1-CD1 3.48Å; F86-I94 VanDerWaalsContact CE1-CD1 3.48Å; F86-I94 HydrophobicContact CE1-CG1 4.31Å; F86-I94 HydrophobicContact CZ-CD1 3.82Å; Q90-I94 WeakPolarHBondContact O-CG1 3.11Å; Q90-I94 WeakPolarHBondContact O-CG2 3.05Å; Q90-I94 PolarHBondContact O-N 2.99Å; Y91-I94 HydrophobicContact CD2-CD1 4.31Å; Y91-I94 VanDerWaalsContact O-CG1 3.31Å; Y91-I94 WeakPolarHBondContact O-CG1 3.35Å; L92-I94 PolarHBondContact O-N 3.49Å; I94-G96 VanDerWaalsContact C-N 3.34Å; I94-L111 HydrophobicContact CD1-CD1 3.53Å; I94-L111 HydrophobicContact CD1-CG 4.46Å; I94-R114 HydrophobicContact CB-CB 4.1Å; I94-V115 HydrophobicContact CD1-CG2 4.25Å; I94-V115 HydrophobicContact CG2-CG2 4.27Å; I94-Y120 HydrophobicContact CG2-CD2 4.22Å; I94-Y120 HydrophobicContact CG2-CE2 4.36Å
95N95.5Very high95.1Very high54 Ų5441.3 Ų41.329%0.28920%0.202SC..THydrogen-bonded Turntrans61.140.2-175.6-143.842.6000112.5Y91 L92 K93 R114 S161Y91-N95 PolarHBondContact O-N 3.29Å; L92-N95 PolarHBondContact O-N 2.83Å; L92-N95 VanDerWaalsContact O-N 3.12Å; K93-N95 PolarHBondContact O-N 2.95Å; N95-R114 PolarHBondContact O-NH1 3.32Å; N95-S161 PolarHBondContact ND2-N 2.89Å; N95-S161 PolarHBondContact ND2-O 3.42Å; N95-S161 WeakPolarHBondContact O-CB 3.32Å; N95-S161 PolarHBondContact OD1-O 3.47Å
96G95.9Very high94.7Very high0 Ų041.6 Ų41.60%021%0.205CC..SBendtrans54-157.8-179.500000115.8N23 Y91 I94 R114N23-G96 WeakPolarHBondContact OD1-CA 3.38Å; Y91-G96 PolarHBondContact O-N 3.21Å; I94-G96 VanDerWaalsContact C-N 3.34Å; G96-R114 VanDerWaalsContact O-CD 3.28Å; G96-R114 WeakPolarHBondContact O-CD 3.38Å
97F95.1Very high94.5Very high0 Ų042.4 Ų42.40%021%0.209CC..SBendtrans-74.6156.7170.6-82.1-92.2000111.9L22 N23 L40 Y91 E107 L111 S161L22-F97 HydrophobicContact CB-CD2 4.2Å; L22-F97 HydrophobicContact CB-CE2 4.24Å; L22-F97 HydrophobicContact CD1-CD2 4.22Å; L22-F97 HydrophobicContact CD1-CE2 3.53Å; L22-F97 HydrophobicContact CD1-CZ 3.92Å; N23-F97 PolarHBondContact ND2-O 3.47Å; N23-F97 PolarHBondContact OD1-N 3.41Å; L40-F97 HydrophobicContact CD1-CD2 4.46Å; L40-F97 HydrophobicContact CD1-CE2 3.68Å; Y91-F97 HydrophobicContact CE2-CD2 4.45Å; Y91-F97 WeakPolarHBondContact OH-CD2 3.39Å; F97-E107 HydrophobicContact CD1-CB 4.46Å; F97-E107 HydrophobicContact CD1-CG 4.48Å; F97-E107 HydrophobicContact CE1-CG 4.34Å; F97-L111 HydrophobicContact CD1-CB 3.89Å; F97-L111 HydrophobicContact CD1-CD1 3.95Å; F97-L111 HydrophobicContact CD1-CD2 4.27Å; F97-L111 HydrophobicContact CD1-CG 4.25Å; F97-L111 HydrophobicContact CD2-CD1 3.89Å; F97-L111 HydrophobicContact CD2-CD2 4.46Å; F97-L111 HydrophobicContact CE1-CB 3.7Å; F97-L111 HydrophobicContact CE1-CD1 4.07Å; F97-L111 HydrophobicContact CE1-CD2 3.53Å; F97-L111 HydrophobicContact CE1-CG 3.96Å; F97-L111 HydrophobicContact CE2-CD1 3.99Å; F97-L111 HydrophobicContact CE2-CD2 3.74Å; F97-L111 HydrophobicContact CE2-CG 4.43Å; F97-L111 HydrophobicContact CG-CD1 3.86Å; F97-L111 HydrophobicContact CZ-CB 4.3Å; F97-L111 HydrophobicContact CZ-CD1 4.1Å; F97-L111 HydrophobicContact CZ-CD2 3.22Å; F97-L111 HydrophobicContact CZ-CG 4.06Å; F97-S161 WeakPolarHBondContact O-CB 3.33Å
98S92.5Very high94.3Very high6 Ų642.1 Ų42.14%0.04221%0.206CC..  trans-64.2135.2160175.80000111.5L100 D110S98-L100 VanDerWaalsContact C-N 3.29Å; S98-L100 PolarHBondContact OG-N 2.8Å; S98-D110 WeakPolarHBondContact CB-OD1 3.25Å
99N91.9Very high94.2Very high61 Ų6141.7 Ų41.733%0.32621%0.207SC..THydrogen-bonded Turntrans-85.23.3174.5-65.8-31.4000113N17 A20 N23N17-N99 PolarHBondContact ND2-O 2.89Å; A20-N99 VanDerWaalsContact CA-OD1 3.25Å; A20-N99 WeakPolarHBondContact CA-OD1 3.45Å; A20-N99 HydrophobicContact CB-CB 4.34Å; N23-N99 PolarHBondContact ND2-OD1 2.88Å
100L91.1Very high94Very high98 Ų9836.7 Ų36.751%0.51318%0.18SC..THydrogen-bonded Turntrans-90.4-12.8-172.6-59.9178.3000114.2S98 E102 F152S98-L100 VanDerWaalsContact C-N 3.29Å; S98-L100 PolarHBondContact OG-N 2.8Å; L100-E102 PolarHBondContact O-N 2.88Å; L100-F152 HydrophobicContact CB-CD1 4.12Å; L100-F152 HydrophobicContact CB-CE1 4.17Å; L100-F152 HydrophobicContact CD1-CD1 4.16Å
101Y91.6Very high93.8Very high2 Ų236.4 Ų36.41%0.00818%0.179CC..  trans-8698.1-176.3-67.8-91.3000110.9N17 G106 E107 D110 R149 F152 Q153N17-Y101 PolarHBondContact ND2-O 3.06Å; N17-Y101 PolarHBondContact OD1-O 3.25Å; Y101-G106 VanDerWaalsContact CE1-C 3.41Å; Y101-E107 HydrophobicContact CD1-CB 4.27Å; Y101-E107 HydrophobicContact CD2-CB 4Å; Y101-E107 HydrophobicContact CG-CB 3.72Å; Y101-D110 HydrophobicContact CE2-CB 3.65Å; Y101-R149 WeakPolarHBondContact CE1-O 3.29Å; Y101-F152 HydrophobicContact CD1-CD2 4.26Å; Y101-F152 HydrophobicContact CE1-CB 3.97Å; Y101-F152 HydrophobicContact CE1-CD2 4.03Å; Y101-F152 HydrophobicContact CE1-CG 4.42Å; Y101-F152 HydrophobicContact CE2-CB 4.17Å; Y101-F152 WeakPolarHBondContact OH-CB 3.41Å; Y101-Q153 WeakPolarHBondContact OH-CG 2.84Å; Y101-Q153 PolarHBondContact OH-N 3.24Å
102E91.9Very high93.7Very high94 Ų9436.4 Ų36.444%0.43918%0.179SC..  trans-97.2139.3170.2-64.9-173.1151.400111K15 F16 L100 N146K15-E102 HydrophobicContact CB-CB 3.82Å; K15-E102 HydrophobicContact CB-CG 4.44Å; K15-E102 HydrophobicContact CD-CB 4.16Å; F16-E102 CarbonylContact O-C 3.48Å; F16-E102 WeakPolarHBondContact O-CA 3.19Å; L100-E102 PolarHBondContact O-N 2.88Å; E102-N146 VanDerWaalsContact O-CB 3.29Å; E102-N146 WeakPolarHBondContact O-CB 3.42Å; E102-N146 PolarHBondContact O-ND2 2.71Å
103G93Very high93.6Very high5 Ų535 Ų355%0.05217%0.172CC..SBendtrans74.8-164.1-173.400000112.6F16 N143 E144F16-G103 PolarHBondContact O-N 3Å; G103-N143 VanDerWaalsContact C-OD1 3.3Å; G103-E144 WeakPolarHBondContact CA-O 3.28Å
104W91.5Very high93.5Very high136 Ų13629.6 Ų29.652%0.51515%0.148SC..BIsolated β-bridgetrans-86.2125.8-172.7-179.286000113N143 E144 K145 N146W104-N143 PolarHBondContact N-OD1 3.46Å; W104-E144 PolarHBondContact N-O 2.87Å; W104-K145 HydrophobicContact CE3-CB 4.1Å; W104-K145 HydrophobicContact CE3-CD 4.22Å; W104-K145 HydrophobicContact CE3-CG 3.85Å; W104-K145 HydrophobicContact CZ3-CD 4.05Å; W104-K145 HydrophobicContact CZ3-CG 4.13Å; W104-N146 PolarHBondContact O-N 2.78Å
105G91.8Very high93.6Very high8 Ų829.3 Ų29.38%0.08215%0.147CC..SBendtrans104.5154.5157.900000115.7E107 R149G105-E107 WeakPolarHBondContact CA-OE2 3.36Å; G105-E107 PolarHBondContact N-OE2 2.95Å; G105-R149 WeakPolarHBondContact O-CB 3.5Å
106G91.8Very high93.6Very high6 Ų630 Ų306%0.06215%0.148CC..SBendtrans92.4-21.117400000115.2Y101 D110 Q153Y101-G106 VanDerWaalsContact CE1-C 3.41Å; G106-D110 PolarHBondContact O-N 3.07Å; G106-D110 VanDerWaalsContact O-N 3.13Å; G106-Q153 PolarHBondContact O-NE2 3.22Å
107E93.6Very high93.5Very high18 Ų1835.1 Ų35.18%0.08417%0.172CC..Hα-helixtrans-69.8-37.9-176.477.3-75-167.300113.3F97 Y101 G105 D110 L111F97-E107 HydrophobicContact CD1-CB 4.46Å; F97-E107 HydrophobicContact CD1-CG 4.48Å; F97-E107 HydrophobicContact CE1-CG 4.34Å; Y101-E107 HydrophobicContact CD1-CB 4.27Å; Y101-E107 HydrophobicContact CD2-CB 4Å; Y101-E107 HydrophobicContact CG-CB 3.72Å; G105-E107 WeakPolarHBondContact CA-OE2 3.36Å; G105-E107 PolarHBondContact N-OE2 2.95Å; E107-D110 PolarHBondContact O-N 2.97Å; E107-L111 PolarHBondContact O-N 2.65Å
108D95Very high93.5Very high20 Ų2036.3 Ų36.311%0.10718%0.18CC..Hα-helixtrans-70.7-34.9178.8-73.6-32000112R18 G81 L111 L112R18-D108 IonicContact CZ-OD1 3.7Å; R18-D108 IonicContact NH1-OD1 3.66Å; R18-D108 PolarHBondContact NH1-OD1 2.92Å; R18-D108 IonicContact NH1-OD2 3.51Å; R18-D108 IonicContact NH2-OD1 3.85Å; G81-D108 WeakPolarHBondContact CA-OD2 3.4Å; D108-L111 WeakPolarHBondContact O-CB 3.5Å; D108-L111 PolarHBondContact O-N 3.42Å; D108-L112 PolarHBondContact O-N 3.01Å
109D93.8Very high93.8Very high37 Ų3739 Ų3920%0.19821%0.209CC..Hα-helixtrans-69.8-39.9175.6-65.6-41000110.9Y76 L112 L113Y76-D109 VanDerWaalsContact CE2-OD1 3.3Å; Y76-D109 WeakPolarHBondContact CE2-OD1 3.29Å; Y76-D109 PolarHBondContact OH-OD1 2.76Å; Y76-D109 PolarHBondContact OH-OD2 3.16Å; D109-L112 PolarHBondContact O-N 3.39Å; D109-L113 WeakPolarHBondContact O-CG 3.05Å; D109-L113 PolarHBondContact O-N 3.31Å
110D93.5Very high94.1Very high13 Ų1338.1 Ų38.17%0.0720%0.201CC..Hα-helixtrans-62.5-42.1172.1-177.4-97.9000111.7S98 Y101 G106 E107 L112 L113 R114S98-D110 WeakPolarHBondContact CB-OD1 3.25Å; Y101-D110 HydrophobicContact CE2-CB 3.65Å; G106-D110 PolarHBondContact O-N 3.07Å; G106-D110 VanDerWaalsContact O-N 3.13Å; E107-D110 PolarHBondContact O-N 2.97Å; D110-L112 VanDerWaalsContact C-N 3.32Å; D110-L112 PolarHBondContact O-N 3.24Å; D110-L113 WeakPolarHBondContact O-CB 3.46Å; D110-L113 PolarHBondContact O-N 3.04Å; D110-L113 VanDerWaalsContact O-N 3.15Å; D110-R114 WeakPolarHBondContact O-CG 3.44Å; D110-R114 PolarHBondContact O-N 3.05Å; D110-R114 IonicContact OD1-CZ 2.8Å; D110-R114 IonicContact OD1-NE 3.86Å; D110-R114 PolarHBondContact OD1-NE 3.22Å; D110-R114 IonicContact OD1-NH2 3.84Å
111L95.2Very high94.4Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-56.9-47.1174.4-175.374.3000111.2F80 V84 F86 I94 F97 E107 D108 L113 R114 V115F80-L111 HydrophobicContact CD1-CD2 3.87Å; F80-L111 HydrophobicContact CD1-CG 4.37Å; F80-L111 HydrophobicContact CE1-CD2 3.77Å; F80-L111 HydrophobicContact CE1-CG 4.32Å; V84-L111 HydrophobicContact CG2-CD2 4.23Å; F86-L111 HydrophobicContact CE2-CD2 3.95Å; F86-L111 HydrophobicContact CZ-CD1 4.11Å; F86-L111 HydrophobicContact CZ-CD2 3.9Å; F86-L111 HydrophobicContact CZ-CG 4.06Å; I94-L111 HydrophobicContact CD1-CD1 3.53Å; I94-L111 HydrophobicContact CD1-CG 4.46Å; F97-L111 HydrophobicContact CD1-CB 3.89Å; F97-L111 HydrophobicContact CD1-CD1 3.95Å; F97-L111 HydrophobicContact CD1-CD2 4.27Å; F97-L111 HydrophobicContact CD1-CG 4.25Å; F97-L111 HydrophobicContact CD2-CD1 3.89Å; F97-L111 HydrophobicContact CD2-CD2 4.46Å; F97-L111 HydrophobicContact CE1-CB 3.7Å; F97-L111 HydrophobicContact CE1-CD1 4.07Å; F97-L111 HydrophobicContact CE1-CD2 3.53Å; F97-L111 HydrophobicContact CE1-CG 3.96Å; F97-L111 HydrophobicContact CE2-CD1 3.99Å; F97-L111 HydrophobicContact CE2-CD2 3.74Å; F97-L111 HydrophobicContact CE2-CG 4.43Å; F97-L111 HydrophobicContact CG-CD1 3.86Å; F97-L111 HydrophobicContact CZ-CB 4.3Å; F97-L111 HydrophobicContact CZ-CD1 4.1Å; F97-L111 HydrophobicContact CZ-CD2 3.22Å; F97-L111 HydrophobicContact CZ-CG 4.06Å; E107-L111 PolarHBondContact O-N 2.65Å; D108-L111 WeakPolarHBondContact O-CB 3.5Å; D108-L111 PolarHBondContact O-N 3.42Å; L111-L113 VanDerWaalsContact C-N 3.33Å; L111-L113 PolarHBondContact O-N 3.33Å; L111-R114 WeakPolarHBondContact O-CB 3.35Å; L111-R114 PolarHBondContact O-N 2.98Å; L111-V115 WeakPolarHBondContact O-CG2 3.21Å; L111-V115 PolarHBondContact O-N 3.19Å
112L95.7Very high94.6Very high1 Ų141.1 Ų41.11%0.00522%0.218CC..Hα-helixtrans-63-39.8177.2178.360.5000112R78 F80 D108 D109 D110 R114 V115 E116 L122R78-L112 HydrophobicContact CB-CD2 3.88Å; R78-L112 HydrophobicContact CG-CD2 4.48Å; R78-L112 WeakPolarHBondContact O-CD2 3.24Å; F80-L112 HydrophobicContact CB-CB 3.96Å; F80-L112 HydrophobicContact CB-CD1 4.38Å; F80-L112 HydrophobicContact CB-CD2 4.22Å; F80-L112 HydrophobicContact CB-CG 4.41Å; F80-L112 HydrophobicContact CD1-CB 4.26Å; F80-L112 HydrophobicContact CG-CB 4.33Å; F80-L112 HydrophobicContact CG-CD1 4.27Å; D108-L112 PolarHBondContact O-N 3.01Å; D109-L112 PolarHBondContact O-N 3.39Å; D110-L112 VanDerWaalsContact C-N 3.32Å; D110-L112 PolarHBondContact O-N 3.24Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 2.97Å; L112-V115 HydrophobicContact CD1-CB 4.43Å; L112-V115 HydrophobicContact CD1-CG1 4.46Å; L112-V115 WeakPolarHBondContact O-CB 3.5Å; L112-V115 PolarHBondContact O-N 3.14Å; L112-E116 HydrophobicContact CD1-CG 4.25Å; L112-E116 WeakPolarHBondContact O-CG 3.34Å; L112-E116 PolarHBondContact O-N 3.46Å; L112-L122 HydrophobicContact CD1-CB 3.95Å; L112-L122 HydrophobicContact CD1-CD1 4.29Å; L112-L122 HydrophobicContact CD2-CD2 4.37Å
113L94Very high94.9Very high50 Ų5038.5 Ų38.526%0.26221%0.21SC..Hα-helixtrans-59.1-41174.6-71.3171.2000111.5D109 D110 L111 E116 Q117 Q153D109-L113 WeakPolarHBondContact O-CG 3.05Å; D109-L113 PolarHBondContact O-N 3.31Å; D110-L113 WeakPolarHBondContact O-CB 3.46Å; D110-L113 PolarHBondContact O-N 3.04Å; D110-L113 VanDerWaalsContact O-N 3.15Å; L111-L113 VanDerWaalsContact C-N 3.33Å; L111-L113 PolarHBondContact O-N 3.33Å; L113-E116 PolarHBondContact O-N 3.15Å; L113-Q117 WeakPolarHBondContact O-CB 3.32Å; L113-Q117 WeakPolarHBondContact O-CG 3.34Å; L113-Q117 PolarHBondContact O-N 3.44Å; L113-Q153 HydrophobicContact CD1-CB 4.38Å; L113-Q153 HydrophobicContact CD1-CG 4.4Å
114R94.3Very high95.1Very high7 Ų741 Ų413%0.02622%0.218CC..Hα-helixtrans-65.2-39.9175.5-68.6170.1178.9-114.40.6112.7I94 N95 G96 D110 L111 L112 S118 F158 S161I94-R114 HydrophobicContact CB-CB 4.1Å; N95-R114 PolarHBondContact O-NH1 3.32Å; G96-R114 VanDerWaalsContact O-CD 3.28Å; G96-R114 WeakPolarHBondContact O-CD 3.38Å; D110-R114 WeakPolarHBondContact O-CG 3.44Å; D110-R114 PolarHBondContact O-N 3.05Å; D110-R114 IonicContact OD1-CZ 2.8Å; D110-R114 IonicContact OD1-NE 3.86Å; D110-R114 PolarHBondContact OD1-NE 3.22Å; D110-R114 IonicContact OD1-NH2 3.84Å; L111-R114 WeakPolarHBondContact O-CB 3.35Å; L111-R114 PolarHBondContact O-N 2.98Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 2.97Å; R114-S118 VanDerWaalsContact O-CB 3.28Å; R114-S118 WeakPolarHBondContact O-CB 3.46Å; R114-S118 PolarHBondContact O-N 3.07Å; R114-S118 PolarHBondContact O-OG 3.05Å; R114-F158 HydrophobicContact CG-CD1 4.15Å; R114-F158 HydrophobicContact CG-CE1 3.43Å; R114-F158 VanDerWaalsContact CG-CE1 3.43Å; R114-F158 HydrophobicContact CG-CZ 4.19Å; R114-F158 VanDerWaalsContact CZ-CD1 3.4Å; R114-S161 PolarHBondContact NH1-OG 3.14Å; R114-S161 VanDerWaalsContact NH1-OG 3.11Å; R114-S161 PolarHBondContact NH2-OG 2.89Å
115V96.7Very high95.3Very high0 Ų036.2 Ų36.20%020%0.202CC..Hα-helixtrans-56-52.4174166.70000110.4P60 F80 F86 I94 L111 L112 S118 Y120P60-V115 HydrophobicContact CB-CG1 4.22Å; P60-V115 HydrophobicContact CB-CG2 4.16Å; P60-V115 HydrophobicContact CG-CG1 3.88Å; P60-V115 HydrophobicContact CG-CG2 4.01Å; F80-V115 HydrophobicContact CE1-CG2 4.28Å; F86-V115 HydrophobicContact CE1-CG2 3.63Å; F86-V115 HydrophobicContact CZ-CG2 3.82Å; I94-V115 HydrophobicContact CD1-CG2 4.25Å; I94-V115 HydrophobicContact CG2-CG2 4.27Å; L111-V115 WeakPolarHBondContact O-CG2 3.21Å; L111-V115 PolarHBondContact O-N 3.19Å; L112-V115 HydrophobicContact CD1-CB 4.43Å; L112-V115 HydrophobicContact CD1-CG1 4.46Å; L112-V115 WeakPolarHBondContact O-CB 3.5Å; L112-V115 PolarHBondContact O-N 3.14Å; V115-S118 PolarHBondContact O-N 2.96Å; V115-Y120 PolarHBondContact O-N 3.44Å; V115-Y120 VanDerWaalsContact O-N 3.14Å
116E95.8Very high95.4Very high69 Ų6940.3 Ų40.332%0.32222%0.222SC..Hα-helixtrans-67.8-42.9-178-69.4-179.2169.300112.6R78 L112 L113 S118 G119 Y120R78-E116 IonicContact CZ-OE1 2.97Å; R78-E116 IonicContact CZ-OE2 2.95Å; R78-E116 VanDerWaalsContact CZ-OE2 3.23Å; R78-E116 IonicContact NH1-OE1 2.65Å; R78-E116 PolarHBondContact NH1-OE1 3.41Å; R78-E116 IonicContact NH1-OE2 2.65Å; R78-E116 PolarHBondContact NH1-OE2 2.92Å; R78-E116 IonicContact NH2-OE1 3.23Å; R78-E116 PolarHBondContact NH2-OE1 3.32Å; R78-E116 VanDerWaalsContact NH2-OE1 3.07Å; R78-E116 IonicContact NH2-OE2 3.99Å; R78-E116 PolarHBondContact NH2-OE2 3Å; L112-E116 HydrophobicContact CD1-CG 4.25Å; L112-E116 WeakPolarHBondContact O-CG 3.34Å; L112-E116 PolarHBondContact O-N 3.46Å; L113-E116 PolarHBondContact O-N 3.15Å; E116-S118 PolarHBondContact O-N 3Å; E116-G119 PolarHBondContact O-N 3.3Å; E116-Y120 WeakPolarHBondContact CA-O 3.45Å
117Q94.2Very high95.3Very high107 Ų10743.3 Ų43.350%0.524%0.239SC..Hα-helixtrans-64.8-24.7177-72.8177.316.200113L113 G119L113-Q117 WeakPolarHBondContact O-CB 3.32Å; L113-Q117 WeakPolarHBondContact O-CG 3.34Å; L113-Q117 PolarHBondContact O-N 3.44Å; Q117-G119 PolarHBondContact O-N 2.65Å
118S95.6Very high95.3Very high24 Ų2448.9 Ų48.917%0.16827%0.269CS..THydrogen-bonded Turntrans-82.94.7173.5-59.60000113.5K93 R114 V115 E116K93-S118 VanDerWaalsContact CE-O 3.26Å; K93-S118 WeakPolarHBondContact CE-O 3.31Å; K93-S118 PolarHBondContact NZ-O 2.72Å; R114-S118 VanDerWaalsContact O-CB 3.28Å; R114-S118 WeakPolarHBondContact O-CB 3.46Å; R114-S118 PolarHBondContact O-N 3.07Å; R114-S118 PolarHBondContact O-OG 3.05Å; V115-S118 PolarHBondContact O-N 2.96Å; E116-S118 PolarHBondContact O-N 3Å
119G97Very high95.2Very high63 Ų6349.5 Ų49.565%0.64927%0.273SS*.THydrogen-bonded Turntrans79.918.2176.800000114.5E116 Q117E116-G119 PolarHBondContact O-N 3.3Å; Q117-G119 PolarHBondContact O-N 2.65Å
120Y98.2Very high95.2Very high42 Ų4247.7 Ų47.717%0.16526%0.264CS..  trans-98158.4170.4-60.2-64.4000110.5P60 Q90 K93 I94 V115 E116P60-Y120 HydrophobicContact CG-CG 4.49Å; Q90-Y120 HydrophobicContact CB-CE2 4.09Å; Q90-Y120 HydrophobicContact CG-CD1 4.31Å; Q90-Y120 HydrophobicContact CG-CD2 4.36Å; Q90-Y120 HydrophobicContact CG-CE1 3.79Å; Q90-Y120 HydrophobicContact CG-CE2 3.8Å; K93-Y120 HydrophobicContact CB-CE2 4.31Å; K93-Y120 HydrophobicContact CD-CE2 3.65Å; K93-Y120 VanDerWaalsContact CD-OH 3.3Å; K93-Y120 WeakPolarHBondContact CD-OH 3.44Å; K93-Y120 HydrophobicContact CG-CE2 4.4Å; I94-Y120 HydrophobicContact CG2-CD2 4.22Å; I94-Y120 HydrophobicContact CG2-CE2 4.36Å; V115-Y120 PolarHBondContact O-N 3.44Å; V115-Y120 VanDerWaalsContact O-N 3.14Å; E116-Y120 WeakPolarHBondContact CA-O 3.45Å
121N97.6Very high95.4Very high112 Ų11251.4 Ų51.460%0.59928%0.277SS*.  trans-101.3152.9174.5-62.9-47000110.6N59 S123N59-N121 WeakPolarHBondContact CB-O 3.3Å; N59-N121 PolarHBondContact OD1-N 2.69Å; N121-S123 PolarHBondContact O-N 2.8Å
122L96.6Very high95.5Very high51 Ų5151.4 Ų51.427%0.26728%0.277SS..  trans-61.5115.1162.5170.558.8000109.7F80 L112F80-L122 HydrophobicContact CB-CD1 4.47Å; F80-L122 HydrophobicContact CD2-CD1 3.24Å; F80-L122 HydrophobicContact CE2-CD1 3.75Å; F80-L122 HydrophobicContact CG-CD1 4.17Å; L112-L122 HydrophobicContact CD1-CB 3.95Å; L112-L122 HydrophobicContact CD1-CD1 4.29Å; L112-L122 HydrophobicContact CD2-CD2 4.37Å
123S97.5Very high95.6Very high40 Ų4056.2 Ų56.228%0.2830%0.295SS..EExtended strand (participates in β ladder)trans-101143.4165174.20000109.3P60 T61 H62 N121P60-S123 WeakPolarHBondContact O-CB 3.44Å; P60-S123 PolarHBondContact O-N 2.96Å; P60-S123 VanDerWaalsContact O-N 3.07Å; T61-S123 CarbonylContact C-O 3.57Å; T61-S123 VanDerWaalsContact CA-O 3.28Å; T61-S123 WeakPolarHBondContact CA-O 3.17Å; T61-S123 VanDerWaalsContact OG1-CB 3.25Å; T61-S123 WeakPolarHBondContact OG1-CB 3.43Å; T61-S123 PolarHBondContact OG1-OG 3.11Å; H62-S123 PolarHBondContact N-O 3.21Å; N121-S123 PolarHBondContact O-N 2.8Å
124R96.9Very high95.6Very high58 Ų5854 Ų5422%0.21929%0.285CS..EExtended strand (participates in β ladder)trans-138.7131.7-178.8-167-174.9-61.2-80-7.9108.6H62 A65 E77 F79H62-R124 HydrophobicContact CB-CG 4.44Å; H62-R124 PolarHBondContact CE1-NH1 3.07Å; H62-R124 PolarHBondContact ND1-NH1 2.82Å; A65-R124 HydrophobicContact CB-CG 3.61Å; E77-R124 PolarHBondContact O-NH2 3.46Å; F79-R124 VanDerWaalsContact O-CZ 3.3Å; F79-R124 PolarHBondContact O-NH1 3.46Å; F79-R124 PolarHBondContact O-NH2 3.19Å
125I95.6Very high95.6Very high34 Ų3457.3 Ų57.317%0.17430%0.302CS..  trans-61155.7171-165.1169.4000109.8I52 H62 L63 A65 V127 T129I52-I125 HydrophobicContact CG1-CD1 4.33Å; I52-I125 HydrophobicContact CG2-CD1 4.21Å; H62-I125 PolarHBondContact O-N 3.45Å; L63-I125 HydrophobicContact CD2-CB 4.41Å; L63-I125 HydrophobicContact CD2-CD1 4.38Å; L63-I125 WeakPolarHBondContact O-CG2 3.09Å; A65-I125 HydrophobicContact CB-CG2 4.04Å; I125-V127 PolarHBondContact O-N 3.49Å; I125-T129 HydrophobicContact CD1-CG2 4.31Å
126N94.1Very high95.3Very high94 Ų9462.8 Ų62.850%0.50334%0.34SS..  trans-53.7128.9174.1-173.5-53.8000110L128 T129 G130N126-L128 PolarHBondContact O-N 2.77Å; N126-L128 VanDerWaalsContact O-N 3.17Å; N126-L128 VanDerWaalsContact OD1-CB 3.29Å; N126-L128 WeakPolarHBondContact OD1-CB 3.21Å; N126-L128 PolarHBondContact OD1-N 3.42Å; N126-T129 PolarHBondContact O-N 3.33Å; N126-T129 VanDerWaalsContact O-N 3.09Å; N126-G130 PolarHBondContact O-N 3.41Å
127V91.6Very high94.9Very high69 Ų6964.5 Ų64.542%0.41835%0.348SS..THydrogen-bonded Turntrans-62.8-21.4-176.3-650000114.1A65 S66 I125A65-V127 HydrophobicContact CB-CG1 4.11Å; S66-V127 WeakPolarHBondContact CB-O 3.15Å; I125-V127 PolarHBondContact O-N 3.49Å
128L91.7Very high94.5Very high135 Ų13566.4 Ų66.471%0.70736%0.362SS*.THydrogen-bonded Turntrans-75.8-36.6175.7-60.2177.6000111.6N126 R131N126-L128 PolarHBondContact O-N 2.77Å; N126-L128 VanDerWaalsContact O-N 3.17Å; N126-L128 VanDerWaalsContact OD1-CB 3.29Å; N126-L128 WeakPolarHBondContact OD1-CB 3.21Å; N126-L128 PolarHBondContact OD1-N 3.42Å; L128-R131 WeakPolarHBondContact O-CD 3.46Å
129T93.6Very high93.9Very high33 Ų3370.9 Ų70.920%0.20239%0.388CS..THydrogen-bonded Turntrans-86.7-40.6178.2-510000111.7D49 Q51 I52 I125 N126 R131D49-T129 HydrophobicContact CB-CG2 4.43Å; D49-T129 WeakPolarHBondContact CB-O 3.17Å; Q51-T129 HydrophobicContact CB-CG2 3.92Å; I52-T129 VanDerWaalsContact CD1-O 3.29Å; I52-T129 WeakPolarHBondContact CD1-O 3.41Å; I52-T129 HydrophobicContact CG1-CG2 4.2Å; I52-T129 VanDerWaalsContact CG1-O 3.29Å; I52-T129 WeakPolarHBondContact CG1-O 3.35Å; I125-T129 HydrophobicContact CD1-CG2 4.31Å; N126-T129 PolarHBondContact O-N 3.33Å; N126-T129 VanDerWaalsContact O-N 3.09Å; T129-R131 PolarHBondContact O-N 3.45Å
130G94.6Very high93.4Very high0 Ų072 Ų720%038%0.38CS..  trans-76.444.6-176.500000114.6L63 A65 S66 N126L63-G130 WeakPolarHBondContact O-CA 3.35Å; A65-G130 PolarHBondContact N-O 2.77Å; S66-G130 WeakPolarHBondContact CB-O 3.35Å; S66-G130 PolarHBondContact N-O 3.12Å; N126-G130 PolarHBondContact O-N 3.41Å
131R96.8Very high92.7Very high91 Ų9178.8 Ų78.834%0.34341%0.41SS..EExtended strand (participates in β ladder)trans-87.3129.7177.9-71.2178.757.1149.2-1.3110.5E48 S66 Y72 L128 T129E48-R131 HydrophobicContact CB-CB 4.07Å; E48-R131 PolarHBondContact N-O 3.38Å; E48-R131 IonicContact OE2-CZ 3.46Å; E48-R131 IonicContact OE2-NE 3.07Å; E48-R131 PolarHBondContact OE2-NE 2.84Å; E48-R131 VanDerWaalsContact OE2-NE 3.07Å; E48-R131 IonicContact OE2-NH2 2.97Å; E48-R131 PolarHBondContact OE2-NH2 2.81Å; S66-R131 CarbonylContact O-C 3.57Å; S66-R131 WeakPolarHBondContact O-CA 3.43Å; Y72-R131 HydrophobicContact CD1-CB 4.31Å; Y72-R131 HydrophobicContact CD1-CG 4.08Å; Y72-R131 HydrophobicContact CE1-CB 4.44Å; Y72-R131 VanDerWaalsContact CE2-NH2 3.26Å; L128-R131 WeakPolarHBondContact O-CD 3.46Å; T129-R131 PolarHBondContact O-N 3.45Å
132Y97.7Very high92.3Very high0 Ų075.3 Ų75.30%039%0.391CS..EExtended strand (participates in β ladder)trans-128.9132.5176.8-82.6-105.3000110.6H41 K45 L46 P47 I52 Y54 L63 S66 L67 S68 V83H41-Y132 AromaticContact NE2-CE1 3.86Å; K45-Y132 HydrophobicContact CB-CD1 3.84Å; L46-Y132 VanDerWaalsContact C-CD1 3.43Å; L46-Y132 CarbonylContact O-C 3.52Å; L46-Y132 WeakPolarHBondContact O-CA 3.47Å; P47-Y132 HydrophobicContact CB-CD1 4.35Å; P47-Y132 HydrophobicContact CB-CE1 3.87Å; P47-Y132 HydrophobicContact CB-CE2 4.48Å; P47-Y132 HydrophobicContact CG-CE1 4.34Å; I52-Y132 HydrophobicContact CD1-CD2 4.2Å; I52-Y132 HydrophobicContact CD1-CE2 3.72Å; I52-Y132 HydrophobicContact CG2-CE2 4.19Å; I52-Y132 WeakPolarHBondContact CG2-OH 3.26Å; Y54-Y132 VanDerWaalsContact CE2-OH 3.32Å; Y54-Y132 WeakPolarHBondContact CE2-OH 3.45Å; Y54-Y132 VanDerWaalsContact CZ-OH 3.32Å; Y54-Y132 WeakPolarHBondContact OH-CE1 3.29Å; Y54-Y132 PolarHBondContact OH-OH 3.44Å; L63-Y132 HydrophobicContact CB-CE2 4.19Å; L63-Y132 WeakPolarHBondContact O-CE2 3.4Å; S66-Y132 PolarHBondContact O-N 2.95Å; L67-Y132 WeakPolarHBondContact CA-O 3.3Å; S68-Y132 PolarHBondContact N-O 3.42Å; V83-Y132 HydrophobicContact CB-CE1 4.43Å; V83-Y132 HydrophobicContact CG2-CD1 4.2Å; V83-Y132 HydrophobicContact CG2-CE1 3.75Å
133Y97.5Very high92Very high101 Ų10174 Ų7440%0.39638%0.384SS..EExtended strand (participates in β ladder)trans-81.5120168.5-172.8-101.4000109K45 L46 E48 L135K45-Y133 CarbonylContact C-O 3.56Å; K45-Y133 WeakPolarHBondContact CA-O 3.33Å; L46-Y133 PolarHBondContact N-O 3.01Å; L46-Y133 PolarHBondContact O-N 3.31Å; E48-Y133 WeakPolarHBondContact OE1-CA 3.3Å; E48-Y133 WeakPolarHBondContact OE1-CB 3.38Å; E48-Y133 PolarHBondContact OE1-N 3.46Å; Y133-L135 HydrophobicContact CD1-CD2 3.98Å; Y133-L135 HydrophobicContact CE1-CD2 3.9Å
134A94.8Very high91.7Very high5 Ų576.5 Ų76.54%0.04139%0.391CS..EExtended strand (participates in β ladder)trans-87.1120.8169.100000109.8D44 K45 S68 T69 S136D44-A134 CarbonylContact O-C 3.55Å; D44-A134 WeakPolarHBondContact O-CA 3.33Å; K45-A134 HydrophobicContact CD-CB 3.8Å; S68-A134 PolarHBondContact OG-N 2.85Å; T69-A134 WeakPolarHBondContact OG1-CB 3.22Å; A134-S136 PolarHBondContact O-N 3.46Å
135L94Very high91.5Very high76 Ų7679.8 Ų79.840%0.39841%0.408SS..PPolyproline II helixtrans-61.4133.9176-63.1178000109.7D44 L46 Y133 H137D44-L135 HydrophobicContact CB-CB 4.23Å; D44-L135 PolarHBondContact O-N 3.01Å; L46-L135 HydrophobicContact CD1-CD2 3.81Å; L46-L135 HydrophobicContact CD1-CG 4.33Å; Y133-L135 HydrophobicContact CD1-CD2 3.98Å; Y133-L135 HydrophobicContact CE1-CD2 3.9Å; L135-H137 PolarHBondContact O-CD2 3.43Å; L135-H137 PolarHBondContact O-N 3.1Å
136S89.5Confident91.3Very high114 Ų11479 Ų7980%0.79740%0.403SS*.PPolyproline II helixtrans-71.2127177.3-64.30000110.5A134A134-S136 PolarHBondContact O-N 3.46Å
137H87.6Confident91Very high106 Ų10679 Ų7949%0.49141%0.409SS..  trans-145.5157.8174.969.796.4000110.5D44 L135 D140D44-H137 IonicContact OD2-CD2 2.72Å; D44-H137 IonicContact OD2-NE2 3.22Å; L135-H137 PolarHBondContact O-CD2 3.43Å; L135-H137 PolarHBondContact O-N 3.1Å; H137-D140 IonicContact CE1-OD2 3.71Å; H137-D140 IonicContact ND1-OD2 3.93Å
138N86.5Confident90.8Very high147 Ų14780.6 Ų80.679%0.78641%0.412SS*.PPolyproline II helixtrans-73.8154.6168.8-66.6-44.7000109.3D140N138-D140 PolarHBondContact O-N 2.63Å; N138-D140 VanDerWaalsContact O-N 3.12Å
139T83.1Confident90.6Very high117 Ų11775.7 Ų75.772%0.71838%0.384SS*.PPolyproline II helixtrans-53.5122.8170.1-54.50000109.7
140D84.9Confident90.1Very high87 Ų8779.4 Ų79.447%0.46540%0.397SS..PPolyproline II helixtrans-65.8143.2-179.1-62.2-56000111H137 N138 L142 N143H137-D140 IonicContact CE1-OD2 3.71Å; H137-D140 IonicContact ND1-OD2 3.93Å; N138-D140 PolarHBondContact O-N 2.63Å; N138-D140 VanDerWaalsContact O-N 3.12Å; D140-L142 PolarHBondContact O-N 3.38Å; D140-N143 HydrophobicContact CB-CB 4.07Å; D140-N143 PolarHBondContact O-N 3.13Å; D140-N143 VanDerWaalsContact O-N 3.11Å
141K85Confident89.2Confident184 Ų18482.8 Ų82.880%0.842%0.418SS*.THydrogen-bonded Turntrans-57.9137.8168.1-166.1-175.3177.5-177.20108.1N143K141-N143 PolarHBondContact O-N 3.1Å
142L88.6Confident87.9Confident40 Ų4081.3 Ų81.321%0.20941%0.414CS..THydrogen-bonded Turntrans74.37.3-176.9-47.5166.7000114.7Y10 G12 R14 K15 F16 D140 E144Y10-L142 HydrophobicContact CE1-CD1 4.42Å; G12-L142 WeakPolarHBondContact O-CD1 3.45Å; R14-L142 WeakPolarHBondContact O-CB 3.26Å; R14-L142 WeakPolarHBondContact O-CD1 3.44Å; K15-L142 CarbonylContact C-O 3.57Å; K15-L142 WeakPolarHBondContact CA-O 3.14Å; F16-L142 PolarHBondContact N-O 2.9Å; D140-L142 PolarHBondContact O-N 3.38Å; L142-E144 PolarHBondContact N-OE1 3.37Å; L142-E144 VanDerWaalsContact N-OE1 3.15Å
143N91.2Very high86.3Confident23 Ų2384.1 Ų84.112%0.12343%0.427CS..  trans-117.737.3172.6-163.521.9000111.8F16 G103 W104 D140 K141F16-N143 HydrophobicContact CB-CB 4.24Å; F16-N143 HydrophobicContact CD1-CB 4.5Å; G103-N143 VanDerWaalsContact C-OD1 3.3Å; W104-N143 PolarHBondContact N-OD1 3.46Å; D140-N143 HydrophobicContact CB-CB 4.07Å; D140-N143 PolarHBondContact O-N 3.13Å; D140-N143 VanDerWaalsContact O-N 3.11Å; K141-N143 PolarHBondContact O-N 3.1Å
144E91.3Very high84.3Confident92 Ų9284.9 Ų84.943%0.4344%0.442SS..PPolyproline II helixtrans-66.3149.8178.1-51.781.4-171.600110.6G103 W104 L142 N146G103-E144 WeakPolarHBondContact CA-O 3.28Å; W104-E144 PolarHBondContact N-O 2.87Å; L142-E144 PolarHBondContact N-OE1 3.37Å; L142-E144 VanDerWaalsContact N-OE1 3.15Å; E144-N146 PolarHBondContact O-N 2.73Å; E144-N146 VanDerWaalsContact O-N 3.14Å
145K92.1Very high82.3Confident128 Ų12888.2 Ų88.256%0.55746%0.462SS*.BIsolated β-bridgetrans-55119.7177.1177.6169.4-176.2177.50110.9W104 P147W104-K145 HydrophobicContact CE3-CB 4.1Å; W104-K145 HydrophobicContact CE3-CD 4.22Å; W104-K145 HydrophobicContact CE3-CG 3.85Å; W104-K145 HydrophobicContact CZ3-CD 4.05Å; W104-K145 HydrophobicContact CZ3-CG 4.13Å; K145-P147 WeakPolarHBondContact O-CD 3.29Å
146N90.7Very high80.5Confident16 Ų1692.3 Ų92.39%0.08648%0.476CS..PPolyproline II helixtrans-75.4116.3-179.7-177.2-10.5000110.3E102 W104 E144 E148 R149E102-N146 VanDerWaalsContact O-CB 3.29Å; E102-N146 WeakPolarHBondContact O-CB 3.42Å; E102-N146 PolarHBondContact O-ND2 2.71Å; W104-N146 PolarHBondContact O-N 2.78Å; E144-N146 PolarHBondContact O-N 2.73Å; E144-N146 VanDerWaalsContact O-N 3.14Å; N146-E148 VanDerWaalsContact C-N 3.27Å; N146-E148 PolarHBondContact O-N 3.05Å; N146-E148 WeakPolarHBondContact OD1-CA 3.32Å; N146-E148 WeakPolarHBondContact OD1-CB 3.4Å; N146-E148 PolarHBondContact OD1-N 2.93Å; N146-R149 HydrophobicContact CB-CB 4.16Å; N146-R149 WeakPolarHBondContact O-CB 3.45Å; N146-R149 VanDerWaalsContact O-CD 3.29Å; N146-R149 WeakPolarHBondContact O-CD 3.48Å; N146-R149 VanDerWaalsContact O-CG 3.23Å; N146-R149 WeakPolarHBondContact O-CG 3.23Å; N146-R149 PolarHBondContact O-N 3.22Å; N146-R149 PolarHBondContact O-NH1 3.24Å
147P88.6Confident78.7Confident95 Ų9591.2 Ų91.262%0.61746%0.462SS*.THydrogen-bonded Turntrans-66.7-29.1178.827.1-33.1000112.6K145 R149K145-P147 WeakPolarHBondContact O-CD 3.29Å; P147-R149 VanDerWaalsContact C-N 3.32Å; P147-R149 PolarHBondContact O-N 2.88Å
148E86.8Confident77.4Confident102 Ų10289.9 Ų89.948%0.47746%0.455SS..THydrogen-bonded Turntrans-86.31.8-177.7-59.6-62.4135.200113.1N146 F150 V151 F152N146-E148 VanDerWaalsContact C-N 3.27Å; N146-E148 PolarHBondContact O-N 3.05Å; N146-E148 WeakPolarHBondContact OD1-CA 3.32Å; N146-E148 WeakPolarHBondContact OD1-CB 3.4Å; N146-E148 PolarHBondContact OD1-N 2.93Å; E148-F150 PolarHBondContact O-N 3.15Å; E148-V151 WeakPolarHBondContact O-CB 3.44Å; E148-V151 PolarHBondContact O-N 3.11Å; E148-V151 WeakPolarHBondContact OE2-CG2 3.41Å; E148-F152 HydrophobicContact CB-CE2 4.04Å; E148-F152 WeakPolarHBondContact O-CD2 3.36Å
149R87Confident75.9Confident32 Ų3292.8 Ų92.812%0.12146%0.455CS..THydrogen-bonded Turntrans-57.3-23.3-17468.1-169.3-178.2-65.7-11.5115.4Y101 G105 N146 P147Y101-R149 WeakPolarHBondContact CE1-O 3.29Å; G105-R149 WeakPolarHBondContact O-CB 3.5Å; N146-R149 HydrophobicContact CB-CB 4.16Å; N146-R149 WeakPolarHBondContact O-CB 3.45Å; N146-R149 VanDerWaalsContact O-CD 3.29Å; N146-R149 WeakPolarHBondContact O-CD 3.48Å; N146-R149 VanDerWaalsContact O-CG 3.23Å; N146-R149 WeakPolarHBondContact O-CG 3.23Å; N146-R149 PolarHBondContact O-N 3.22Å; N146-R149 PolarHBondContact O-NH1 3.24Å; P147-R149 VanDerWaalsContact C-N 3.32Å; P147-R149 PolarHBondContact O-N 2.88Å
150F83.2Confident74.7Confident112 Ų11295.4 Ų95.449%0.49146%0.458SS..THydrogen-bonded Turntrans-90.9-14.1176.9-57.3-58.2000113.3E148E148-F150 PolarHBondContact O-N 3.15Å
151V77.3Confident73.7Confident71 Ų7191.5 Ų91.543%0.4344%0.438SS..THydrogen-bonded Turntrans-74.5-41.7-179.3179.90000110.5E148 Q153 V154E148-V151 WeakPolarHBondContact O-CB 3.44Å; E148-V151 PolarHBondContact O-N 3.11Å; E148-V151 WeakPolarHBondContact OE2-CG2 3.41Å; V151-Q153 VanDerWaalsContact C-N 3.31Å; V151-Q153 PolarHBondContact O-N 3.45Å; V151-V154 WeakPolarHBondContact O-CB 3.46Å; V151-V154 PolarHBondContact O-N 3.32Å; V151-V154 VanDerWaalsContact O-N 3.12Å
152F68Low73.6Confident60 Ų6086.3 Ų86.326%0.26342%0.418SS..G310 helixtrans-61.9-34.7-178.3-63.1-66.8000113.6L100 Y101 E148 V154 V155L100-F152 HydrophobicContact CB-CD1 4.12Å; L100-F152 HydrophobicContact CB-CE1 4.17Å; L100-F152 HydrophobicContact CD1-CD1 4.16Å; Y101-F152 HydrophobicContact CD1-CD2 4.26Å; Y101-F152 HydrophobicContact CE1-CB 3.97Å; Y101-F152 HydrophobicContact CE1-CD2 4.03Å; Y101-F152 HydrophobicContact CE1-CG 4.42Å; Y101-F152 HydrophobicContact CE2-CB 4.17Å; Y101-F152 WeakPolarHBondContact OH-CB 3.41Å; E148-F152 HydrophobicContact CB-CE2 4.04Å; E148-F152 WeakPolarHBondContact O-CD2 3.36Å; F152-V154 PolarHBondContact O-N 2.86Å; F152-V155 CarbonylContact O-C 3.55Å; F152-V155 PolarHBondContact O-N 2.99Å
153Q64.2Low72.8Confident58 Ų5888.6 Ų88.627%0.27143%0.429SS..G310 helixtrans-62.9-25178.4-66.1179.2-8.300112.8Y101 G106 L113 V151Y101-Q153 WeakPolarHBondContact OH-CG 2.84Å; Y101-Q153 PolarHBondContact OH-N 3.24Å; G106-Q153 PolarHBondContact O-NE2 3.22Å; L113-Q153 HydrophobicContact CD1-CB 4.38Å; L113-Q153 HydrophobicContact CD1-CG 4.4Å; V151-Q153 VanDerWaalsContact C-N 3.31Å; V151-Q153 PolarHBondContact O-N 3.45Å
154V55.7Low71.9Confident118 Ų11892.1 Ų92.172%0.71545%0.445SS*.G310 helixtrans-80-29.2176.6-174.80000110.9V151 F152 K156V151-V154 WeakPolarHBondContact O-CB 3.46Å; V151-V154 PolarHBondContact O-N 3.32Å; V151-V154 VanDerWaalsContact O-N 3.12Å; F152-V154 PolarHBondContact O-N 2.86Å; V154-K156 PolarHBondContact O-N 2.99Å
155V52.4Low70.8Confident75 Ų7592.1 Ų92.146%0.45545%0.446SS..  trans-87.990.7-178.6-172.70000108.5F152 N157F152-V155 CarbonylContact O-C 3.55Å; F152-V155 PolarHBondContact O-N 2.99Å; V155-N157 HydrophobicContact CG1-CB 4.02Å; V155-N157 WeakPolarHBondContact CG1-ND2 3.5Å; V155-N157 PolarHBondContact O-N 3.18Å
156K57Low69.5Low161 Ų16189.9 Ų89.970%0.744%0.439SS*.  trans-63.125.6178.8-63.2-176177.5-179.40115.4V154 F158V154-K156 PolarHBondContact O-N 2.99Å; K156-F158 PolarHBondContact O-N 3.12Å; K156-F158 VanDerWaalsContact O-N 3.1Å
157N51.5Low68.2Low92 Ų9294.6 Ų94.649%0.49246%0.461SS..  trans-86.184.9-178.4-72.7-24.3000109.5V155 R159V155-N157 HydrophobicContact CG1-CB 4.02Å; V155-N157 WeakPolarHBondContact CG1-ND2 3.5Å; V155-N157 PolarHBondContact O-N 3.18Å; N157-R159 HydrophobicContact CB-CG 4.47Å; N157-R159 PolarHBondContact O-N 3.42Å
158F60Low66.9Low78 Ų7894.5 Ų94.534%0.34245%0.451SS..  trans-66.533.6163.7-58.8-63.9000112.8R114 K156 E160R114-F158 HydrophobicContact CG-CD1 4.15Å; R114-F158 HydrophobicContact CG-CE1 3.43Å; R114-F158 VanDerWaalsContact CG-CE1 3.43Å; R114-F158 HydrophobicContact CG-CZ 4.19Å; R114-F158 VanDerWaalsContact CZ-CD1 3.4Å; K156-F158 PolarHBondContact O-N 3.12Å; K156-F158 VanDerWaalsContact O-N 3.1Å; F158-E160 PolarHBondContact O-N 2.78Å; F158-E160 VanDerWaalsContact O-N 3.07Å
159R54.7Low65.4Low208 Ų20894 Ų9479%0.78545%0.449SS*.  trans-80.899.2179.7-68.2-170.6-179.9-172.9-0.2106.9N157N157-R159 HydrophobicContact CB-CG 4.47Å; N157-R159 PolarHBondContact O-N 3.42Å
160E57.7Low63.8Low171 Ų17198.8 Ų98.880%0.79947%0.474SS*.  trans80.9104.4172.4-54.4178.2-174.300114.9F158F158-E160 PolarHBondContact O-N 2.78Å; F158-E160 VanDerWaalsContact O-N 3.07Å
161S65.6Low62.2Low5 Ų597.7 Ų97.74%0.03547%0.473CS..  trans-157.6130.4171-47.60000105.9N95 F97 R114N95-S161 PolarHBondContact ND2-N 2.89Å; N95-S161 PolarHBondContact ND2-O 3.42Å; N95-S161 WeakPolarHBondContact O-CB 3.32Å; N95-S161 PolarHBondContact OD1-O 3.47Å; F97-S161 WeakPolarHBondContact O-CB 3.33Å; R114-S161 PolarHBondContact NH1-OG 3.14Å; R114-S161 VanDerWaalsContact NH1-OG 3.11Å; R114-S161 PolarHBondContact NH2-OG 2.89Å
162I82Confident60.8Low75 Ų75100.1 Ų100.139%0.38548%0.477SS..  trans42.70-161.353.6169.5000119.6N23 F26 L27 Y91 L92N23-I162 HydrophobicContact CB-CG2 3.87Å; F26-I162 HydrophobicContact CD1-CG2 4.22Å; F26-I162 HydrophobicContact CE1-CD1 4.46Å; L27-I162 HydrophobicContact CD2-CB 4.46Å; L27-I162 HydrophobicContact CD2-CG2 4.49Å; L27-I162 HydrophobicContact CG-CG2 4.33Å; Y91-I162 HydrophobicContact CD1-CD1 4.41Å; Y91-I162 HydrophobicContact CE1-CG2 4.25Å; L92-I162 HydrophobicContact CD2-CD1 3.83Å

Retrieved 162 of 162 residues in 164.7 ms (Link to these results)

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