A0A3Q0KCW4_SCHMA Loading...

Gluconokinase

Phosphorylates gluconate to 6-phosphogluconate.

AlphaFold DB , UniProt , Accession A0A3Q0KCW4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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
1M97.2Very high94.8Very high20 Ų2019.5 Ų19.510%0.09913%0.131CC..  0169.9073.8157.2-69.500112.4C70 A72 L73 F95 V96 L97 L98 L129 F132M1-C70 WeakPolarHBondContact CA-O 3.49Å; M1-C70 WeakPolarHBondContact CB-O 3.49Å; M1-A72 HydrophobicContact CB-CB 4.16Å; M1-A72 WeakPolarHBondContact CE-O 3.2Å; M1-L73 HydrophobicContact CE-CD2 4.37Å; M1-F95 HydrophobicContact SD-CB 4.36Å; M1-F95 HydrophobicContact SD-CD1 4.49Å; M1-V96 WeakPolarHBondContact CG-O 3.38Å; M1-V96 PolarHBondContact N-O 3.13Å; M1-L97 HydrophobicContact CE-CD1 4.19Å; M1-L97 HydrophobicContact CG-CB 4.22Å; M1-L97 HydrophobicContact CG-CD1 4.46Å; M1-L98 PolarHBondContact O-N 3.35Å; M1-L129 HydrophobicContact CE-CD1 3.63Å; M1-F132 HydrophobicContact CG-CZ 4.46Å; M1-F132 HydrophobicContact SD-CE1 3.67Å; M1-F132 HydrophobicContact SD-CZ 3.5Å; M1-F132 VanDerWaalsContact SD-CZ 3.5Å
2G95.3Very high95Very high0 Ų018.3 Ų18.30%012%0.124CC..  trans131.8169.2-178.900000113.5K8 S71G2-K8 PolarHBondContact O-NZ 3.41Å; G2-S71 PolarHBondContact N-O 2.89Å
3P93.2Very high95.2Very high3 Ų322.6 Ų22.62%0.01915%0.146CC..SBendtrans-63.9166.1-176.727.3-35.3000112.4C6 K8 L105 Q125 L126P3-C6 HydrophobicContact CG-CB 4.45Å; P3-C6 WeakPolarHBondContact O-CB 3.35Å; P3-C6 PolarHBondContact O-N 3.46Å; P3-C6 PolarHBondContact O-SG 2.9Å; P3-K8 PolarHBondContact O-NZ 3.2Å; P3-L105 HydrophobicContact CB-CD1 4.05Å; P3-L105 HydrophobicContact CG-CD1 3.5Å; P3-L105 VanDerWaalsContact CG-CD1 3.5Å; P3-L105 HydrophobicContact CG-CD2 4.2Å; P3-Q125 VanDerWaalsContact CA-OE1 3.24Å; P3-Q125 HydrophobicContact CB-CB 4.06Å; P3-L126 HydrophobicContact CB-CD2 4.48Å; P3-L126 HydrophobicContact CG-CD2 4.07Å
4C90.5Very high95.4Very high19 Ų1922.6 Ų22.613%0.12815%0.147CC..THydrogen-bonded Turntrans-66.8143.3177.6-154.70000111.3C6 I117C4-C6 VanDerWaalsContact C-N 3.33Å; C4-I117 HydrophobicContact CB-CD1 4.2Å; C4-I117 WeakPolarHBondContact SG-CD1 3.43Å
5G90.2Very high95.5Very high13 Ų1321.8 Ų21.813%0.13414%0.14CC..THydrogen-bonded Turntrans85.7-7.4-172.500000115.1G7 R108G5-G7 PolarHBondContact O-N 3.26Å; G5-R108 VanDerWaalsContact O-CD 3.24Å; G5-R108 WeakPolarHBondContact O-CD 3.33Å
6C94.3Very high95.6Very high2 Ų220.9 Ų20.91%0.01414%0.136CC..SBendtrans-75.6-8.2178.975.40000114.5P3 C4 K8 L98 L105 A143P3-C6 HydrophobicContact CG-CB 4.45Å; P3-C6 WeakPolarHBondContact O-CB 3.35Å; P3-C6 PolarHBondContact O-N 3.46Å; P3-C6 PolarHBondContact O-SG 2.9Å; C4-C6 VanDerWaalsContact C-N 3.33Å; C6-K8 VanDerWaalsContact SG-CG 3.51Å; C6-L98 HydrophobicContact CB-CB 4.06Å; C6-L98 WeakPolarHBondContact CB-O 3.3Å; C6-L105 HydrophobicContact CB-CD2 3.77Å; C6-A143 WeakPolarHBondContact O-CB 3.26Å
7G94.8Very high95.7Very high23 Ų2327.7 Ų27.724%0.23717%0.169CC..  trans95.118.817400000116G5 S9 T10 V11G5-G7 PolarHBondContact O-N 3.26Å; G7-S9 VanDerWaalsContact C-N 3.34Å; G7-S9 PolarHBondContact O-N 3.09Å; G7-T10 PolarHBondContact O-N 3.34Å; G7-T10 VanDerWaalsContact O-N 3.14Å; G7-V11 WeakPolarHBondContact O-CG2 3.37Å; G7-V11 PolarHBondContact O-N 2.88Å
8K96.8Very high95.7Very high18 Ų1831.8 Ų31.88%0.07818%0.181CC..Hα-helixtrans-46.6-51.8179.6-61.1-176.4-69.2-72.60113.3G2 P3 C6 T10 V11 G12 A69 C70 L98G2-K8 PolarHBondContact O-NZ 3.41Å; P3-K8 PolarHBondContact O-NZ 3.2Å; C6-K8 VanDerWaalsContact SG-CG 3.51Å; K8-T10 PolarHBondContact O-N 3.12Å; K8-V11 PolarHBondContact O-N 3.34Å; K8-G12 WeakPolarHBondContact O-CA 3.44Å; K8-G12 PolarHBondContact O-N 3.38Å; K8-A69 HydrophobicContact CB-CB 3.95Å; K8-C70 WeakPolarHBondContact CD-O 3.26Å; K8-L98 HydrophobicContact CG-CD1 4.47Å
9S95.9Very high95.6Very high25 Ų2532.4 Ų32.418%0.17518%0.183CC..Hα-helixtrans-63.3-42.3-177.6-41.80000112.4G7 N13 E25G7-S9 VanDerWaalsContact C-N 3.34Å; G7-S9 PolarHBondContact O-N 3.09Å; S9-N13 WeakPolarHBondContact O-CB 3.24Å; S9-N13 PolarHBondContact O-N 2.99Å; S9-N13 PolarHBondContact O-ND2 2.83Å; S9-E25 WeakPolarHBondContact CB-OE2 3.41Å; S9-E25 PolarHBondContact OG-OE2 2.98Å
10T96.5Very high95.7Very high78 Ų7838.3 Ų38.348%0.47921%0.214SC..Hα-helixtrans-66.2-48.2179.4-53.60000111.2G7 K8 S14 L147G7-T10 PolarHBondContact O-N 3.34Å; G7-T10 VanDerWaalsContact O-N 3.14Å; K8-T10 PolarHBondContact O-N 3.12Å; T10-S14 WeakPolarHBondContact O-CB 3.47Å; T10-S14 PolarHBondContact O-N 3.31Å; T10-S14 VanDerWaalsContact O-N 3.07Å; T10-L147 HydrophobicContact CG2-CD1 4.12Å; T10-L147 HydrophobicContact CG2-CD2 3.95Å
11V97.9Very high95.7Very high13 Ų1340.2 Ų40.28%0.07922%0.218CC..Hα-helixtrans-65-45178.2173.80000110.6G7 K8 S14 L15 L98 L147 I150 T151 I154G7-V11 WeakPolarHBondContact O-CG2 3.37Å; G7-V11 PolarHBondContact O-N 2.88Å; K8-V11 PolarHBondContact O-N 3.34Å; V11-S14 PolarHBondContact O-N 2.89Å; V11-L15 WeakPolarHBondContact O-CB 3.2Å; V11-L15 PolarHBondContact O-N 3.34Å; V11-L98 HydrophobicContact CB-CD1 4Å; V11-L98 HydrophobicContact CG1-CD1 4.41Å; V11-L98 HydrophobicContact CG2-CD1 3.77Å; V11-L98 HydrophobicContact CG2-CD2 4.43Å; V11-L147 HydrophobicContact CB-CD1 4.39Å; V11-L147 HydrophobicContact CG2-CD1 3.86Å; V11-I150 HydrophobicContact CG1-CG2 3.76Å; V11-I150 HydrophobicContact CG2-CG2 3.89Å; V11-T151 HydrophobicContact CG1-CG2 4.31Å; V11-I154 HydrophobicContact CG1-CD1 3.68Å
12G97.9Very high95.8Very high5 Ų541.7 Ų41.75%0.05223%0.229CC..Hα-helixtrans-61.7-49.1-179.200000112.8K8 S14 L15 A16 F23K8-G12 WeakPolarHBondContact O-CA 3.44Å; K8-G12 PolarHBondContact O-N 3.38Å; G12-S14 PolarHBondContact O-N 2.81Å; G12-L15 PolarHBondContact O-N 2.93Å; G12-A16 VanDerWaalsContact O-CB 3.29Å; G12-A16 WeakPolarHBondContact O-CB 3.26Å; G12-A16 PolarHBondContact O-N 3.16Å; G12-F23 VanDerWaalsContact C-CD2 3.49Å
13N97.5Very high95.9Very high75 Ų7544.1 Ų44.140%0.40124%0.24SC..Hα-helixtrans-60.7-45.5174.6-95.8-54.9000112.2S9 L15 A16 I17 F23S9-N13 WeakPolarHBondContact O-CB 3.24Å; S9-N13 PolarHBondContact O-N 2.99Å; S9-N13 PolarHBondContact O-ND2 2.83Å; N13-L15 VanDerWaalsContact C-N 3.28Å; N13-L15 PolarHBondContact O-N 3.03Å; N13-A16 PolarHBondContact O-N 3.27Å; N13-I17 WeakPolarHBondContact O-CG1 3.29Å; N13-I17 PolarHBondContact O-N 3.31Å; N13-I17 VanDerWaalsContact O-N 3.09Å; N13-F23 VanDerWaalsContact CG-CD1 3.49Å; N13-F23 WeakPolarHBondContact ND2-CD1 3.47Å; N13-F23 VanDerWaalsContact ND2-CE1 3.29Å; N13-F23 WeakPolarHBondContact ND2-CE1 3.24Å; N13-F23 VanDerWaalsContact OD1-CD1 3.26Å; N13-F23 WeakPolarHBondContact OD1-CD1 3.12Å
14S97.8Very high96.1Very high23 Ų2344.4 Ų44.416%0.16124%0.241CC..Hα-helixtrans-63-38.1179.6-177.50000111.9T10 V11 G12 R18T10-S14 WeakPolarHBondContact O-CB 3.47Å; T10-S14 PolarHBondContact O-N 3.31Å; T10-S14 VanDerWaalsContact O-N 3.07Å; V11-S14 PolarHBondContact O-N 2.89Å; G12-S14 PolarHBondContact O-N 2.81Å; S14-R18 VanDerWaalsContact O-CG 3.3Å; S14-R18 WeakPolarHBondContact O-CG 3.46Å; S14-R18 PolarHBondContact O-N 2.93Å
15L97Very high96.5Very high10 Ų1045 Ų455%0.05224%0.242CC..Hα-helixtrans-70.1-43.7177.6-174.866.2000110.7V11 G12 N13 I17 R18 I19 I67 T151 I154 M155V11-L15 WeakPolarHBondContact O-CB 3.2Å; V11-L15 PolarHBondContact O-N 3.34Å; G12-L15 PolarHBondContact O-N 2.93Å; N13-L15 VanDerWaalsContact C-N 3.28Å; N13-L15 PolarHBondContact O-N 3.03Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.96Å; L15-R18 PolarHBondContact O-N 3.39Å; L15-I19 HydrophobicContact CD1-CD1 4.43Å; L15-I19 HydrophobicContact CD1-CG2 4.21Å; L15-I19 HydrophobicContact CG-CD1 4.1Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.15Å; L15-I67 HydrophobicContact CB-CD1 3.73Å; L15-I67 HydrophobicContact CD2-CD1 3.72Å; L15-I67 HydrophobicContact CD2-CG1 4.41Å; L15-I67 HydrophobicContact CG-CD1 3.53Å; L15-T151 HydrophobicContact CB-CG2 4.41Å; L15-I154 HydrophobicContact CD1-CB 4.46Å; L15-I154 HydrophobicContact CD1-CG2 4.36Å; L15-I154 HydrophobicContact CD2-CB 4.21Å; L15-I154 HydrophobicContact CD2-CD1 4.24Å; L15-I154 HydrophobicContact CD2-CG2 3.51Å; L15-M155 HydrophobicContact CD1-CG 3.53Å; L15-M155 HydrophobicContact CD1-SD 4.34Å
16A97.4Very high96.8Very high8 Ų844.4 Ų44.47%0.06624%0.235CC..Hα-helixtrans-54.7-45.8178.300000112.5G12 N13 N20 W21 F23 I67G12-A16 VanDerWaalsContact O-CB 3.29Å; G12-A16 WeakPolarHBondContact O-CB 3.26Å; G12-A16 PolarHBondContact O-N 3.16Å; N13-A16 PolarHBondContact O-N 3.27Å; A16-N20 VanDerWaalsContact O-CA 3.26Å; A16-N20 WeakPolarHBondContact O-CA 3.42Å; A16-N20 PolarHBondContact O-N 2.94Å; A16-W21 VanDerWaalsContact CB-O 3.26Å; A16-W21 WeakPolarHBondContact CB-O 3.35Å; A16-W21 PolarHBondContact O-N 3.47Å; A16-W21 VanDerWaalsContact O-N 3.12Å; A16-F23 HydrophobicContact CB-CB 3.69Å; A16-I67 VanDerWaalsContact CA-CD1 3.45Å; A16-I67 HydrophobicContact CB-CD1 3.9Å
17I96.6Very high96.8Very high136 Ų13647.2 Ų47.270%0.69725%0.251SS*.Hα-helixtrans-62.4-44.5175.9-67.2165.2000111N13 L15N13-I17 WeakPolarHBondContact O-CG1 3.29Å; N13-I17 PolarHBondContact O-N 3.31Å; N13-I17 VanDerWaalsContact O-N 3.09Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.96Å
18R95.4Very high96.8Very high102 Ų10251 Ų5139%0.38527%0.265SS..Hα-helixtrans-67.8-37.4-175.9-74.1177.5-175.5-1545.1113.4S14 L15 T151 M155S14-R18 VanDerWaalsContact O-CG 3.3Å; S14-R18 WeakPolarHBondContact O-CG 3.46Å; S14-R18 PolarHBondContact O-N 2.93Å; L15-R18 PolarHBondContact O-N 3.39Å; R18-T151 PolarHBondContact NH1-OG1 3.2Å; R18-M155 HydrophobicContact CB-SD 4.03Å
19I95Very high96.8Very high43 Ų4354.2 Ų54.222%0.22128%0.277CS..Hα-helixtrans-105.23-176.273.9-178.7000113.4L15 W21 I67 M155 L158L15-I19 HydrophobicContact CD1-CD1 4.43Å; L15-I19 HydrophobicContact CD1-CG2 4.21Å; L15-I19 HydrophobicContact CG-CD1 4.1Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.15Å; I19-W21 HydrophobicContact CD1-CB 4.34Å; I19-W21 HydrophobicContact CD1-CD2 3.42Å; I19-W21 VanDerWaalsContact CD1-CD2 3.42Å; I19-W21 HydrophobicContact CD1-CE3 3.44Å; I19-W21 VanDerWaalsContact CD1-CE3 3.44Å; I19-W21 HydrophobicContact CD1-CG 3.86Å; I19-W21 HydrophobicContact CD1-CH2 4.28Å; I19-W21 HydrophobicContact CD1-CZ2 4.26Å; I19-W21 HydrophobicContact CD1-CZ3 3.89Å; I19-W21 HydrophobicContact CG1-CB 4.01Å; I19-W21 HydrophobicContact CG1-CD2 3.82Å; I19-W21 HydrophobicContact CG1-CE3 4.31Å; I19-W21 HydrophobicContact CG1-CG 3.7Å; I19-W21 VanDerWaalsContact O-CD1 3.24Å; I19-W21 PolarHBondContact O-N 3.14Å; I19-I67 HydrophobicContact CD1-CD1 3.91Å; I19-I67 HydrophobicContact CD1-CG1 4.48Å; I19-I67 HydrophobicContact CG1-CD1 4.28Å; I19-M155 HydrophobicContact CG2-CG 4.03Å; I19-M155 HydrophobicContact CG2-SD 3.99Å; I19-L158 HydrophobicContact CD1-CD1 3.93Å
20N96.4Very high96.8Very high150 Ų15053.5 Ų53.580%0.80227%0.272SS*.THydrogen-bonded Turntrans55.145.5-179.3-167.242000113.5A16A16-N20 VanDerWaalsContact O-CA 3.26Å; A16-N20 WeakPolarHBondContact O-CA 3.42Å; A16-N20 PolarHBondContact O-N 2.94Å
21W96.7Very high96.9Very high79 Ų7952.7 Ų52.730%0.29927%0.269SS..  trans-109.6149.8173.5-69.44.4000110.1A16 I19 N65 I67 L158A16-W21 VanDerWaalsContact CB-O 3.26Å; A16-W21 WeakPolarHBondContact CB-O 3.35Å; A16-W21 PolarHBondContact O-N 3.47Å; A16-W21 VanDerWaalsContact O-N 3.12Å; I19-W21 HydrophobicContact CD1-CB 4.34Å; I19-W21 HydrophobicContact CD1-CD2 3.42Å; I19-W21 VanDerWaalsContact CD1-CD2 3.42Å; I19-W21 HydrophobicContact CD1-CE3 3.44Å; I19-W21 VanDerWaalsContact CD1-CE3 3.44Å; I19-W21 HydrophobicContact CD1-CG 3.86Å; I19-W21 HydrophobicContact CD1-CH2 4.28Å; I19-W21 HydrophobicContact CD1-CZ2 4.26Å; I19-W21 HydrophobicContact CD1-CZ3 3.89Å; I19-W21 HydrophobicContact CG1-CB 4.01Å; I19-W21 HydrophobicContact CG1-CD2 3.82Å; I19-W21 HydrophobicContact CG1-CE3 4.31Å; I19-W21 HydrophobicContact CG1-CG 3.7Å; I19-W21 VanDerWaalsContact O-CD1 3.24Å; I19-W21 PolarHBondContact O-N 3.14Å; W21-N65 HydrophobicContact CD2-CB 3.37Å; W21-N65 HydrophobicContact CE3-CB 3.69Å; W21-N65 HydrophobicContact CG-CB 3.84Å; W21-N65 HydrophobicContact CH2-CB 4.05Å; W21-N65 HydrophobicContact CZ2-CB 3.75Å; W21-N65 HydrophobicContact CZ3-CB 4.02Å; W21-I67 HydrophobicContact CB-CD1 4.5Å; W21-I67 HydrophobicContact CB-CG1 4.41Å; W21-I67 HydrophobicContact CE3-CG1 4.07Å; W21-L158 HydrophobicContact CH2-CD1 4.44Å; W21-L158 HydrophobicContact CH2-CD2 4.43Å; W21-L158 HydrophobicContact CZ3-CD1 4.43Å
22P97.7Very high96.8Very high51 Ų5158.3 Ų58.333%0.33130%0.299SS..  trans-60.9140.2172.725.3-33.2000111.1H63 N65 A66 I67P22-H63 HydrophobicContact CG-CB 4Å; P22-N65 WeakPolarHBondContact CD-O 3.33Å; P22-N65 VanDerWaalsContact CG-O 3.24Å; P22-N65 WeakPolarHBondContact CG-O 3.42Å; P22-A66 HydrophobicContact CG-CB 3.99Å; P22-I67 PolarHBondContact O-N 2.57Å
23F98.4Very high96.7Very high50 Ų5064.8 Ų64.822%0.21933%0.325CS..EExtended strand (participates in β ladder)trans-101.7130.9171.6177-111.8000109.9G12 N13 A16 E25 I67 A69G12-F23 VanDerWaalsContact C-CD2 3.49Å; N13-F23 VanDerWaalsContact CG-CD1 3.49Å; N13-F23 WeakPolarHBondContact ND2-CD1 3.47Å; N13-F23 VanDerWaalsContact ND2-CE1 3.29Å; N13-F23 WeakPolarHBondContact ND2-CE1 3.24Å; N13-F23 VanDerWaalsContact OD1-CD1 3.26Å; N13-F23 WeakPolarHBondContact OD1-CD1 3.12Å; A16-F23 HydrophobicContact CB-CB 3.69Å; F23-E25 HydrophobicContact CE1-CB 3.97Å; F23-E25 HydrophobicContact CZ-CB 4.3Å; F23-I67 WeakPolarHBondContact CA-O 3.29Å; F23-I67 HydrophobicContact CD2-CB 4.41Å; F23-I67 HydrophobicContact CD2-CG2 4.14Å; F23-A69 HydrophobicContact CE2-CB 3.69Å; F23-A69 HydrophobicContact CZ-CB 3.63Å
24I98.4Very high96.6Very high9 Ų961.5 Ų61.55%0.04631%0.308CS..EExtended strand (participates in β ladder)trans-115.6119.8175.9-57.8158.6000107.7Y29 L56 E59 L60 A66 I67 L68 A69I24-Y29 HydrophobicContact CG2-CD2 4.42Å; I24-Y29 HydrophobicContact CG2-CE2 3.8Å; I24-L56 HydrophobicContact CG2-CD2 4.35Å; I24-E59 HydrophobicContact CD1-CG 3.66Å; I24-E59 HydrophobicContact CG1-CG 4.05Å; I24-E59 HydrophobicContact CG2-CG 4.17Å; I24-L60 HydrophobicContact CD1-CD2 3.9Å; I24-L60 HydrophobicContact CD1-CG 4.41Å; I24-A66 HydrophobicContact CD1-CB 3.91Å; I24-I67 PolarHBondContact N-O 2.81Å; I24-L68 HydrophobicContact CB-CD1 3.96Å; I24-L68 HydrophobicContact CG2-CD1 3.69Å; I24-A69 PolarHBondContact O-N 3.01Å
25E97.3Very high96.4Very high32 Ų3265.4 Ų65.415%0.1532%0.319CS..EExtended strand (participates in β ladder)trans-85.2110170.5-178.355.7-99.100109.2S9 F23 D27 D28S9-E25 WeakPolarHBondContact CB-OE2 3.41Å; S9-E25 PolarHBondContact OG-OE2 2.98Å; F23-E25 HydrophobicContact CE1-CB 3.97Å; F23-E25 HydrophobicContact CZ-CB 4.3Å; E25-D27 VanDerWaalsContact C-N 3.26Å; E25-D27 HydrophobicContact CG-CB 4.45Å; E25-D27 PolarHBondContact O-N 3.38Å; E25-D28 WeakPolarHBondContact O-CB 3.35Å; E25-D28 PolarHBondContact O-N 3.42Å
26G97.4Very high96.2Very high0 Ų068.4 Ų68.40%034%0.337CS..G310 helixtrans-66.7-31.5-17300000112.7D28 Y29 W52 A69G26-D28 PolarHBondContact O-N 2.97Å; G26-Y29 PolarHBondContact O-N 3.07Å; G26-Y29 VanDerWaalsContact O-N 3.14Å; G26-W52 PolarHBondContact O-NE1 2.73Å; G26-A69 WeakPolarHBondContact CA-O 3.49Å; G26-A69 PolarHBondContact N-O 3.06Å
27D93.9Very high96.1Very high62 Ų6270.3 Ų70.333%0.33234%0.344SS..G310 helixtrans-64.2-21.7179-71.9-9.5000112E25 Y29 H30 R35E25-D27 VanDerWaalsContact C-N 3.26Å; E25-D27 HydrophobicContact CG-CB 4.45Å; E25-D27 PolarHBondContact O-N 3.38Å; D27-Y29 PolarHBondContact O-N 3.32Å; D27-H30 PolarHBondContact O-N 2.91Å; D27-R35 PolarHBondContact O-NH2 3.43Å
28D95.5Very high95.8Very high103 Ų10366 Ų6655%0.55132%0.322SS*.G310 helixtrans-69.8-22.1177.4-72.9-23.7000113.2E25 G26 R35E25-D28 WeakPolarHBondContact O-CB 3.35Å; E25-D28 PolarHBondContact O-N 3.42Å; G26-D28 PolarHBondContact O-N 2.97Å; D28-R35 VanDerWaalsContact C-NH2 3.32Å; D28-R35 VanDerWaalsContact CA-NH2 3.33Å; D28-R35 PolarHBondContact O-NH2 3.24Å
29Y97.2Very high95.4Very high84 Ų8465.1 Ų65.133%0.32933%0.331SS..G310 helixtrans-90.70.9-178.2-71.8-108.4000113I24 G26 D27 L56 E59I24-Y29 HydrophobicContact CG2-CD2 4.42Å; I24-Y29 HydrophobicContact CG2-CE2 3.8Å; G26-Y29 PolarHBondContact O-N 3.07Å; G26-Y29 VanDerWaalsContact O-N 3.14Å; D27-Y29 PolarHBondContact O-N 3.32Å; Y29-L56 HydrophobicContact CD1-CD2 4.16Å; Y29-L56 HydrophobicContact CD2-CD2 3.65Å; Y29-L56 HydrophobicContact CE2-CD2 4.35Å; Y29-L56 HydrophobicContact CG-CD2 3.56Å; Y29-E59 HydrophobicContact CE1-CB 4.02Å; Y29-E59 HydrophobicContact CE1-CG 4.24Å; Y29-E59 VanDerWaalsContact OH-CG 3.24Å; Y29-E59 WeakPolarHBondContact OH-CG 3.49Å; Y29-E59 PolarHBondContact OH-OE2 3.3Å
30H96Very high95.2Very high11 Ų1168.9 Ų68.95%0.05135%0.349CS..  trans-70.7135.8173.9-84-49.9000111.7D27 N34 R35 M38 W52D27-H30 PolarHBondContact O-N 2.91Å; H30-N34 HydrophobicContact CB-CB 4.19Å; H30-R35 HydrophobicContact CB-CG 4.03Å; H30-R35 PolarHBondContact O-NE 3.38Å; H30-M38 HydrophobicContact CB-CE 4.38Å; H30-M38 VanDerWaalsContact CD2-CE 3.42Å; H30-M38 WeakPolarHBondContact CD2-CE 3.45Å; H30-W52 AromaticContact CD2-NE1 4Å; H30-W52 AromaticContact CE1-CD1 3.8Å; H30-W52 AromaticContact CE1-CD2 3.2Å; H30-W52 AromaticContact CE1-CE2 3.35Å; H30-W52 AromaticContact CE1-CE3 3.63Å; H30-W52 AromaticContact CE1-CG 3.5Å; H30-W52 VanDerWaalsContact CE1-CG 3.5Å; H30-W52 AromaticContact CE1-CZ2 3.87Å; H30-W52 AromaticContact CE1-NE1 3.67Å; H30-W52 AromaticContact CG-CD1 3.94Å; H30-W52 AromaticContact CG-NE1 3.93Å; H30-W52 AromaticContact ND1-CD1 3.47Å; H30-W52 AromaticContact ND1-CD2 3.64Å; H30-W52 AromaticContact ND1-CE2 3.85Å; H30-W52 AromaticContact ND1-CG 3.37Å; H30-W52 AromaticContact ND1-NE1 3.7Å; H30-W52 AromaticContact NE2-CD2 3.92Å; H30-W52 AromaticContact NE2-CE2 3.57Å; H30-W52 AromaticContact NE2-CZ2 3.73Å; H30-W52 AromaticContact NE2-NE1 3.88Å
31S96.6Very high94.8Very high60 Ų6062.1 Ų62.142%0.4232%0.315SS..  trans-61.8156.9170.167.90000111.7K33 N34 R35S31-K33 PolarHBondContact O-N 2.89Å; S31-N34 WeakPolarHBondContact O-CB 3.16Å; S31-N34 PolarHBondContact O-N 3.5Å; S31-N34 PolarHBondContact OG-N 3.35Å; S31-R35 WeakPolarHBondContact O-CG 3.5Å; S31-R35 PolarHBondContact O-N 3.37Å
32D96.5Very high94.6Very high132 Ų13262.2 Ų62.271%0.70632%0.321SS*.Hα-helixtrans-56.3-38.5175.9-65.3-29.7000112N34 R35 V36D32-N34 VanDerWaalsContact C-N 3.32Å; D32-N34 PolarHBondContact O-N 2.8Å; D32-R35 PolarHBondContact O-N 3Å; D32-V36 WeakPolarHBondContact O-CB 3.35Å; D32-V36 VanDerWaalsContact O-CG2 3.28Å; D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 3.15Å
33K96.8Very high94.4Very high141 Ų14163.1 Ų63.161%0.61333%0.326SS*.Hα-helixtrans-57.8-43.8175.1-175.4-177177.3-171.30112S31 V36 K37S31-K33 PolarHBondContact O-N 2.89Å; K33-V36 PolarHBondContact O-N 2.84Å; K33-K37 PolarHBondContact O-N 3.38Å
34N95.6Very high94.1Very high5 Ų561.2 Ų61.23%0.02732%0.319CS..Hα-helixtrans-69.5-42.6178.6-73.85.8000111.3H30 S31 D32 V36 K37 M38 L44 D48H30-N34 HydrophobicContact CB-CB 4.19Å; S31-N34 WeakPolarHBondContact O-CB 3.16Å; S31-N34 PolarHBondContact O-N 3.5Å; S31-N34 PolarHBondContact OG-N 3.35Å; D32-N34 VanDerWaalsContact C-N 3.32Å; D32-N34 PolarHBondContact O-N 2.8Å; N34-V36 VanDerWaalsContact C-N 3.3Å; N34-V36 PolarHBondContact O-N 3.26Å; N34-K37 PolarHBondContact O-N 3.39Å; N34-M38 WeakPolarHBondContact O-CG 3.36Å; N34-M38 PolarHBondContact O-N 2.82Å; N34-L44 HydrophobicContact CB-CD1 3.86Å; N34-L44 HydrophobicContact CB-CD2 3.97Å; N34-D48 PolarHBondContact ND2-O 3.04Å
35R92.6Very high94Very high105 Ų10564.1 Ų64.140%0.39633%0.334SS..Hα-helixtrans-58.6-43.2175.4-67.5176.4-176-116.78.7111.1D27 D28 H30 S31 D32 M38 S39D27-R35 PolarHBondContact O-NH2 3.43Å; D28-R35 VanDerWaalsContact C-NH2 3.32Å; D28-R35 VanDerWaalsContact CA-NH2 3.33Å; D28-R35 PolarHBondContact O-NH2 3.24Å; H30-R35 HydrophobicContact CB-CG 4.03Å; H30-R35 PolarHBondContact O-NE 3.38Å; S31-R35 WeakPolarHBondContact O-CG 3.5Å; S31-R35 PolarHBondContact O-N 3.37Å; D32-R35 PolarHBondContact O-N 3Å; R35-M38 PolarHBondContact O-N 3.46Å; R35-S39 WeakPolarHBondContact O-CB 2.86Å; R35-S39 PolarHBondContact O-N 3.36Å
36V93.9Very high93.9Very high73 Ų7366 Ų6644%0.44235%0.345SS..Hα-helixtrans-61.7-51.2175.8170.90000111.4D32 K33 N34 M38 S39 M40D32-V36 WeakPolarHBondContact O-CB 3.35Å; D32-V36 VanDerWaalsContact O-CG2 3.28Å; D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 3.15Å; K33-V36 PolarHBondContact O-N 2.84Å; N34-V36 VanDerWaalsContact C-N 3.3Å; N34-V36 PolarHBondContact O-N 3.26Å; V36-M38 VanDerWaalsContact C-N 3.33Å; V36-M38 PolarHBondContact O-N 3.27Å; V36-S39 PolarHBondContact O-N 2.54Å; V36-S39 VanDerWaalsContact O-N 3.13Å; V36-S39 PolarHBondContact O-OG 3.2Å; V36-M40 HydrophobicContact CG1-CE 3.73Å; V36-M40 HydrophobicContact CG1-SD 4.11Å; V36-M40 WeakPolarHBondContact O-CG 3.23Å; V36-M40 PolarHBondContact O-N 3.04Å; V36-M40 VanDerWaalsContact O-N 3.11Å
37K94.5Very high93.9Very high48 Ų4873.6 Ų73.621%0.20938%0.381CS..Hα-helixtrans-53.7-49.6176.8-80.9-178.2168.9-177.50111.8K33 N34 S39 M40 G41 I42 L44 D48K33-K37 PolarHBondContact O-N 3.38Å; N34-K37 PolarHBondContact O-N 3.39Å; K37-S39 VanDerWaalsContact C-N 3.35Å; K37-S39 PolarHBondContact O-N 3.14Å; K37-M40 PolarHBondContact O-N 3.17Å; K37-M40 VanDerWaalsContact O-N 3.16Å; K37-G41 PolarHBondContact O-N 2.93Å; K37-I42 CarbonylContact C-O 3.48Å; K37-I42 HydrophobicContact CB-CB 4.3Å; K37-I42 WeakPolarHBondContact O-CB 3.47Å; K37-I42 PolarHBondContact O-N 3.42Å; K37-L44 HydrophobicContact CB-CD2 3.7Å; K37-L44 HydrophobicContact CD-CD2 3.79Å; K37-L44 HydrophobicContact CG-CD2 4.4Å; K37-D48 IonicContact NZ-OD1 2.68Å; K37-D48 PolarHBondContact NZ-OD1 2.93Å; K37-D48 IonicContact NZ-OD2 2.67Å; K37-D48 PolarHBondContact NZ-OD2 3.04Å
38M90.8Very high94.1Very high47 Ų4771.4 Ų71.423%0.23237%0.369CS..Hα-helixtrans-64.5-38179.1-67.5-170.9-65.400112.4H30 N34 R35 V36 M40 G41 L44 L121H30-M38 HydrophobicContact CB-CE 4.38Å; H30-M38 VanDerWaalsContact CD2-CE 3.42Å; H30-M38 WeakPolarHBondContact CD2-CE 3.45Å; N34-M38 WeakPolarHBondContact O-CG 3.36Å; N34-M38 PolarHBondContact O-N 2.82Å; R35-M38 PolarHBondContact O-N 3.46Å; V36-M38 VanDerWaalsContact C-N 3.33Å; V36-M38 PolarHBondContact O-N 3.27Å; M38-M40 PolarHBondContact O-N 2.82Å; M38-G41 PolarHBondContact O-N 3.09Å; M38-L44 HydrophobicContact CE-CD1 4.34Å; M38-L44 HydrophobicContact CG-CD1 4.11Å; M38-L44 HydrophobicContact CG-CD2 4.11Å; M38-L44 HydrophobicContact CG-CG 3.9Å; M38-L44 HydrophobicContact SD-CD1 3.87Å; M38-L44 HydrophobicContact SD-CG 4.25Å; M38-L121 HydrophobicContact CB-CD1 4.42Å; M38-L121 WeakPolarHBondContact O-CD1 3.46Å
39S86.9Confident94.2Very high83 Ų8367.2 Ų67.258%0.5835%0.345SS*.Hα-helixtrans-62.2-28.4176.277.10000113R35 V36 K37 G41R35-S39 WeakPolarHBondContact O-CB 2.86Å; R35-S39 PolarHBondContact O-N 3.36Å; V36-S39 PolarHBondContact O-N 2.54Å; V36-S39 VanDerWaalsContact O-N 3.13Å; V36-S39 PolarHBondContact O-OG 3.2Å; K37-S39 VanDerWaalsContact C-N 3.35Å; K37-S39 PolarHBondContact O-N 3.14Å; S39-G41 VanDerWaalsContact C-N 3.31Å
40M90.1Very high94.2Very high122 Ų12266.8 Ų66.860%0.60135%0.348SS*.THydrogen-bonded Turntrans-87.43.9175.4-63.6175.8175.700113.1V36 K37 M38 I42V36-M40 HydrophobicContact CG1-CE 3.73Å; V36-M40 HydrophobicContact CG1-SD 4.11Å; V36-M40 WeakPolarHBondContact O-CG 3.23Å; V36-M40 PolarHBondContact O-N 3.04Å; V36-M40 VanDerWaalsContact O-N 3.11Å; K37-M40 PolarHBondContact O-N 3.17Å; K37-M40 VanDerWaalsContact O-N 3.16Å; M38-M40 PolarHBondContact O-N 2.82Å; M40-I42 HydrophobicContact CB-CD1 4Å; M40-I42 HydrophobicContact CB-CG1 4.06Å; M40-I42 PolarHBondContact O-N 3.33Å; M40-I42 HydrophobicContact SD-CD1 4.38Å
41G89Confident94.2Very high8 Ų870 Ų708%0.08237%0.37CS..THydrogen-bonded Turntrans7113.8-175.700000114.6K37 M38 S39 H118 S120K37-G41 PolarHBondContact O-N 2.93Å; M38-G41 PolarHBondContact O-N 3.09Å; S39-G41 VanDerWaalsContact C-N 3.31Å; G41-H118 VanDerWaalsContact CA-CB 3.46Å; G41-S120 PolarHBondContact O-OG 2.94Å
42I92.6Very high94.3Very high81 Ų8167.4 Ų67.442%0.41535%0.351SS..PPolyproline II helixtrans-84.5120.4177.2-58.3171.3000108.1K37 M40K37-I42 CarbonylContact C-O 3.48Å; K37-I42 HydrophobicContact CB-CB 4.3Å; K37-I42 WeakPolarHBondContact O-CB 3.47Å; K37-I42 PolarHBondContact O-N 3.42Å; M40-I42 HydrophobicContact CB-CD1 4Å; M40-I42 HydrophobicContact CB-CG1 4.06Å; M40-I42 PolarHBondContact O-N 3.33Å; M40-I42 HydrophobicContact SD-CD1 4.38Å
43P92Very high94.3Very high70 Ų7061.1 Ų61.146%0.45532%0.318SS..PPolyproline II helixtrans-66.2140.4177.827.4-33.3000110.6
44L93.7Very high94.3Very high10 Ų1059 Ų595%0.05231%0.31CS..PPolyproline II helixtrans-70.4143.1171.4-57.3-176.9000109.8N34 K37 M38 D48 R49N34-L44 HydrophobicContact CB-CD1 3.86Å; N34-L44 HydrophobicContact CB-CD2 3.97Å; K37-L44 HydrophobicContact CB-CD2 3.7Å; K37-L44 HydrophobicContact CD-CD2 3.79Å; K37-L44 HydrophobicContact CG-CD2 4.4Å; M38-L44 HydrophobicContact CE-CD1 4.34Å; M38-L44 HydrophobicContact CG-CD1 4.11Å; M38-L44 HydrophobicContact CG-CD2 4.11Å; M38-L44 HydrophobicContact CG-CG 3.9Å; M38-L44 HydrophobicContact SD-CD1 3.87Å; M38-L44 HydrophobicContact SD-CG 4.25Å; L44-D48 HydrophobicContact CB-CB 3.93Å; L44-D48 HydrophobicContact CD2-CB 4.17Å; L44-D48 HydrophobicContact CG-CB 4.48Å; L44-R49 HydrophobicContact CB-CG 4.1Å; L44-R49 HydrophobicContact CD1-CG 4.38Å; L44-R49 PolarHBondContact O-NH1 3.38Å; L44-R49 PolarHBondContact O-NH2 3.09Å
45N94.7Very high94.4Very high69 Ų6960.6 Ų60.637%0.36932%0.321SS..  trans-92-173.3170.870.618.8000111.1E47 D48 R49N45-E47 WeakPolarHBondContact OD1-CB 3.09Å; N45-E47 PolarHBondContact OD1-N 2.98Å; N45-E47 VanDerWaalsContact OD1-N 3.14Å; N45-D48 PolarHBondContact N-OD2 3.3Å; N45-D48 WeakPolarHBondContact OD1-CB 3.42Å; N45-D48 PolarHBondContact OD1-N 3.29Å; N45-D48 PolarHBondContact OD1-OD2 3.43Å; N45-D48 VanDerWaalsContact OD1-OD2 3.11Å; N45-R49 WeakPolarHBondContact O-CG 3.34Å; N45-R49 PolarHBondContact O-N 2.78Å
46D96.7Very high94.6Very high73 Ų7355.6 Ų55.639%0.3930%0.302SS..Hα-helixtrans-72-36.7-175.7-63.39.7000111.4R49 L50 K74 Y77D46-R49 PolarHBondContact O-N 2.77Å; D46-L50 PolarHBondContact O-N 2.69Å; D46-K74 VanDerWaalsContact CG-NZ 3.27Å; D46-K74 IonicContact OD1-NZ 2.64Å; D46-K74 PolarHBondContact OD1-NZ 3.49Å; D46-K74 IonicContact OD2-NZ 2.67Å; D46-K74 PolarHBondContact OD2-NZ 3.01Å; D46-Y77 PolarHBondContact OD1-OH 2.84Å
47E97.5Very high94.6Very high159 Ų15953.2 Ų53.274%0.74329%0.285SS*.Hα-helixtrans-65.1-39.8175.9-62.8176175.900112N45 R49 P51N45-E47 WeakPolarHBondContact OD1-CB 3.09Å; N45-E47 PolarHBondContact OD1-N 2.98Å; N45-E47 VanDerWaalsContact OD1-N 3.14Å; E47-R49 VanDerWaalsContact C-N 3.27Å; E47-R49 PolarHBondContact O-N 3.07Å; E47-P51 WeakPolarHBondContact O-CD 3.35Å
48D96.5Very high94.6Very high16 Ų1655.9 Ų55.99%0.08630%0.302CS..Hα-helixtrans-62.9-37.1174.9-66.8-42.8000111N34 K37 L44 N45N34-D48 PolarHBondContact ND2-O 3.04Å; K37-D48 IonicContact NZ-OD1 2.68Å; K37-D48 PolarHBondContact NZ-OD1 2.93Å; K37-D48 IonicContact NZ-OD2 2.67Å; K37-D48 PolarHBondContact NZ-OD2 3.04Å; L44-D48 HydrophobicContact CB-CB 3.93Å; L44-D48 HydrophobicContact CD2-CB 4.17Å; L44-D48 HydrophobicContact CG-CB 4.48Å; N45-D48 PolarHBondContact N-OD2 3.3Å; N45-D48 WeakPolarHBondContact OD1-CB 3.42Å; N45-D48 PolarHBondContact OD1-N 3.29Å; N45-D48 PolarHBondContact OD1-OD2 3.43Å; N45-D48 VanDerWaalsContact OD1-OD2 3.11Å
49R97.1Very high94.8Very high15 Ų1556 Ų566%0.05730%0.302CS..Hα-helixtrans-84.9-27.6-175.3-75.1-164.8-174.188.71.3113.9L44 N45 D46 E47 W52 L53 Y77L44-R49 HydrophobicContact CB-CG 4.1Å; L44-R49 HydrophobicContact CD1-CG 4.38Å; L44-R49 PolarHBondContact O-NH1 3.38Å; L44-R49 PolarHBondContact O-NH2 3.09Å; N45-R49 WeakPolarHBondContact O-CG 3.34Å; N45-R49 PolarHBondContact O-N 2.78Å; D46-R49 PolarHBondContact O-N 2.77Å; E47-R49 VanDerWaalsContact C-N 3.27Å; E47-R49 PolarHBondContact O-N 3.07Å; R49-W52 HydrophobicContact CB-CE3 4.08Å; R49-W52 HydrophobicContact CG-CE3 4.04Å; R49-W52 HydrophobicContact CG-CZ3 4.25Å; R49-W52 WeakPolarHBondContact O-CB 3.33Å; R49-W52 PolarHBondContact O-N 2.95Å; R49-W52 VanDerWaalsContact O-N 3.16Å; R49-L53 HydrophobicContact CB-CD1 4.17Å; R49-L53 WeakPolarHBondContact O-CG 3.4Å; R49-L53 PolarHBondContact O-N 3.47Å; R49-Y77 VanDerWaalsContact CD-CE2 3.47Å; R49-Y77 PolarHBondContact NH1-OH 3.12Å; R49-Y77 VanDerWaalsContact NH1-OH 3.15Å
50L97.3Very high95.1Very high75 Ų7553.7 Ų53.739%0.39328%0.283SS..Hα-helixtrans-56.6-51.1-173.8175.465000113.2D46 W52 L53 Q54 I80D46-L50 PolarHBondContact O-N 2.69Å; L50-W52 VanDerWaalsContact C-N 3.26Å; L50-W52 PolarHBondContact O-N 3.2Å; L50-L53 PolarHBondContact O-N 3.35Å; L50-Q54 HydrophobicContact CD1-CG 4.3Å; L50-Q54 WeakPolarHBondContact O-CG 3.3Å; L50-Q54 PolarHBondContact O-N 2.93Å; L50-I80 HydrophobicContact CD1-CD1 3.69Å
51P97.3Very high95.2Very high78 Ų7852.5 Ų52.551%0.50628%0.277SS..Hα-helixtrans-63.2-34.3178.4-2233.8000112.9E47 S55E47-P51 WeakPolarHBondContact O-CD 3.35Å; P51-S55 PolarHBondContact O-N 3.5Å
52W97.8Very high95.4Very high6 Ų659 Ų592%0.02331%0.305CS..Hα-helixtrans-67.4-43.4176.5165.165.8000112G26 H30 R49 L50 Q54 S55 L56 C70G26-W52 PolarHBondContact O-NE1 2.73Å; H30-W52 AromaticContact CD2-NE1 4Å; H30-W52 AromaticContact CE1-CD1 3.8Å; H30-W52 AromaticContact CE1-CD2 3.2Å; H30-W52 AromaticContact CE1-CE2 3.35Å; H30-W52 AromaticContact CE1-CE3 3.63Å; H30-W52 AromaticContact CE1-CG 3.5Å; H30-W52 VanDerWaalsContact CE1-CG 3.5Å; H30-W52 AromaticContact CE1-CZ2 3.87Å; H30-W52 AromaticContact CE1-NE1 3.67Å; H30-W52 AromaticContact CG-CD1 3.94Å; H30-W52 AromaticContact CG-NE1 3.93Å; H30-W52 AromaticContact ND1-CD1 3.47Å; H30-W52 AromaticContact ND1-CD2 3.64Å; H30-W52 AromaticContact ND1-CE2 3.85Å; H30-W52 AromaticContact ND1-CG 3.37Å; H30-W52 AromaticContact ND1-NE1 3.7Å; H30-W52 AromaticContact NE2-CD2 3.92Å; H30-W52 AromaticContact NE2-CE2 3.57Å; H30-W52 AromaticContact NE2-CZ2 3.73Å; H30-W52 AromaticContact NE2-NE1 3.88Å; R49-W52 HydrophobicContact CB-CE3 4.08Å; R49-W52 HydrophobicContact CG-CE3 4.04Å; R49-W52 HydrophobicContact CG-CZ3 4.25Å; R49-W52 WeakPolarHBondContact O-CB 3.33Å; R49-W52 PolarHBondContact O-N 2.95Å; R49-W52 VanDerWaalsContact O-N 3.16Å; L50-W52 VanDerWaalsContact C-N 3.26Å; L50-W52 PolarHBondContact O-N 3.2Å; W52-Q54 VanDerWaalsContact C-N 3.32Å; W52-Q54 PolarHBondContact O-N 2.85Å; W52-S55 PolarHBondContact O-N 2.61Å; W52-S55 PolarHBondContact O-OG 3.12Å; W52-L56 HydrophobicContact CD2-CD1 4.18Å; W52-L56 VanDerWaalsContact CE2-CD1 3.49Å; W52-L56 HydrophobicContact CH2-CD1 4.4Å; W52-L56 HydrophobicContact CZ2-CD1 3.64Å; W52-L56 WeakPolarHBondContact O-CG 3.49Å; W52-L56 PolarHBondContact O-N 2.96Å; W52-L56 VanDerWaalsContact O-N 3.09Å; W52-C70 WeakPolarHBondContact CH2-SG 3.5Å
53L97.7Very high95.4Very high0 Ų058.2 Ų58.20%030%0.3CS..Hα-helixtrans-65.2-38.6176.4-69.5163.8000111.5R49 L50 L56 R57 Y77 I80 L81R49-L53 HydrophobicContact CB-CD1 4.17Å; R49-L53 WeakPolarHBondContact O-CG 3.4Å; R49-L53 PolarHBondContact O-N 3.47Å; L50-L53 PolarHBondContact O-N 3.35Å; L53-L56 PolarHBondContact O-N 3.12Å; L53-R57 PolarHBondContact O-N 3.48Å; L53-Y77 HydrophobicContact CD1-CD1 3.41Å; L53-Y77 VanDerWaalsContact CD1-CD1 3.41Å; L53-Y77 HydrophobicContact CD1-CD2 4.37Å; L53-Y77 HydrophobicContact CD1-CE1 4.13Å; L53-Y77 HydrophobicContact CD1-CG 3.55Å; L53-I80 HydrophobicContact CB-CB 4.44Å; L53-I80 HydrophobicContact CB-CD1 4.46Å; L53-I80 HydrophobicContact CB-CG2 3.86Å; L53-I80 HydrophobicContact CD1-CD1 4.06Å; L53-L81 HydrophobicContact CD2-CD1 4.09Å; L53-L81 HydrophobicContact CD2-CD2 4.25Å; L53-L81 HydrophobicContact CD2-CG 4.13Å
54Q96Very high95.3Very high97 Ų9764.4 Ų64.445%0.45332%0.32SS..Hα-helixtrans-64.4-41.4175.6-72.5174.9-26.600112.1L50 W52 R57 N58L50-Q54 HydrophobicContact CD1-CG 4.3Å; L50-Q54 WeakPolarHBondContact O-CG 3.3Å; L50-Q54 PolarHBondContact O-N 2.93Å; W52-Q54 VanDerWaalsContact C-N 3.32Å; W52-Q54 PolarHBondContact O-N 2.85Å; Q54-R57 PolarHBondContact O-N 2.95Å; Q54-N58 VanDerWaalsContact O-CG 3.26Å; Q54-N58 PolarHBondContact O-N 3.48Å; Q54-N58 PolarHBondContact O-ND2 3.43Å
55S96.8Very high95.3Very high37 Ų3767.3 Ų67.326%0.25934%0.335SS..Hα-helixtrans-64.8-41.1176.868.60000111.8P51 W52 R57 N58 E59P51-S55 PolarHBondContact O-N 3.5Å; W52-S55 PolarHBondContact O-N 2.61Å; W52-S55 PolarHBondContact O-OG 3.12Å; S55-R57 PolarHBondContact O-N 3Å; S55-N58 PolarHBondContact O-N 2.97Å; S55-E59 PolarHBondContact O-N 3.27Å
56L96.9Very high95.4Very high0 Ų065.2 Ų65.20%033%0.327CS..Hα-helixtrans-63-40.2173.7-67-179.9000112.6I24 Y29 W52 L53 N58 E59 L60 L68 C70 L81I24-L56 HydrophobicContact CG2-CD2 4.35Å; Y29-L56 HydrophobicContact CD1-CD2 4.16Å; Y29-L56 HydrophobicContact CD2-CD2 3.65Å; Y29-L56 HydrophobicContact CE2-CD2 4.35Å; Y29-L56 HydrophobicContact CG-CD2 3.56Å; W52-L56 HydrophobicContact CD2-CD1 4.18Å; W52-L56 VanDerWaalsContact CE2-CD1 3.49Å; W52-L56 HydrophobicContact CH2-CD1 4.4Å; W52-L56 HydrophobicContact CZ2-CD1 3.64Å; W52-L56 WeakPolarHBondContact O-CG 3.49Å; W52-L56 PolarHBondContact O-N 2.96Å; W52-L56 VanDerWaalsContact O-N 3.09Å; L53-L56 PolarHBondContact O-N 3.12Å; L56-N58 VanDerWaalsContact C-N 3.34Å; L56-E59 PolarHBondContact O-N 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.04Å; L56-L60 PolarHBondContact O-N 3.29Å; L56-L68 HydrophobicContact CB-CD2 4.27Å; L56-L68 HydrophobicContact CD1-CD1 4.28Å; L56-L68 HydrophobicContact CD1-CD2 4.28Å; L56-L68 HydrophobicContact CD2-CD1 3.93Å; L56-C70 HydrophobicContact CD1-CB 4.29Å; L56-L81 HydrophobicContact CB-CD2 3.93Å
57R94.9Very high95.4Very high23 Ų2362.7 Ų62.79%0.08731%0.314CS..Hα-helixtrans-62.1-43.7175.6178.863.3-172.8115.2-3.1111.5L53 Q54 S55 E59 L60 M61 I80 L81 S83 D89L53-R57 PolarHBondContact O-N 3.48Å; Q54-R57 PolarHBondContact O-N 2.95Å; S55-R57 PolarHBondContact O-N 3Å; R57-E59 VanDerWaalsContact C-N 3.34Å; R57-L60 PolarHBondContact O-N 3.16Å; R57-M61 PolarHBondContact NH1-SD 2.79Å; R57-M61 PolarHBondContact NH2-SD 3.41Å; R57-M61 PolarHBondContact O-N 3.39Å; R57-M61 VanDerWaalsContact O-N 3.14Å; R57-I80 WeakPolarHBondContact CD-O 3.36Å; R57-L81 VanDerWaalsContact CD-O 3.23Å; R57-L81 WeakPolarHBondContact CD-O 3.28Å; R57-S83 PolarHBondContact NE-O 3.31Å; R57-S83 PolarHBondContact NH2-O 3.32Å; R57-D89 IonicContact NH2-OD2 3.74Å
58N93.8Very high95.5Very high105 Ų10556.8 Ų56.856%0.56129%0.287SS*.Hα-helixtrans-64.7-38.8178.2-70.1-17.7000112.1Q54 S55 L56 M61 Q62Q54-N58 VanDerWaalsContact O-CG 3.26Å; Q54-N58 PolarHBondContact O-N 3.48Å; Q54-N58 PolarHBondContact O-ND2 3.43Å; S55-N58 PolarHBondContact O-N 2.97Å; L56-N58 VanDerWaalsContact C-N 3.34Å; N58-M61 PolarHBondContact O-N 3.14Å; N58-Q62 PolarHBondContact O-NE2 2.93Å
59E95.7Very high95.5Very high50 Ų5056.2 Ų56.223%0.23428%0.284CS..Hα-helixtrans-63.4-48.2173.4-178.864.1-140.600111I24 Y29 S55 L56 R57 M61 Q62 H63I24-E59 HydrophobicContact CD1-CG 3.66Å; I24-E59 HydrophobicContact CG1-CG 4.05Å; I24-E59 HydrophobicContact CG2-CG 4.17Å; Y29-E59 HydrophobicContact CE1-CB 4.02Å; Y29-E59 HydrophobicContact CE1-CG 4.24Å; Y29-E59 VanDerWaalsContact OH-CG 3.24Å; Y29-E59 WeakPolarHBondContact OH-CG 3.49Å; Y29-E59 PolarHBondContact OH-OE2 3.3Å; S55-E59 PolarHBondContact O-N 3.27Å; L56-E59 PolarHBondContact O-N 3.22Å; R57-E59 VanDerWaalsContact C-N 3.34Å; E59-M61 PolarHBondContact O-N 3.18Å; E59-M61 VanDerWaalsContact O-N 3.16Å; E59-Q62 WeakPolarHBondContact O-CB 3.48Å; E59-Q62 PolarHBondContact O-N 3.33Å; E59-H63 PolarHBondContact O-CD2 3.42Å; E59-H63 VanDerWaalsContact O-CD2 3.27Å; E59-H63 IonicContact OE1-CD2 2.75Å; E59-H63 IonicContact OE1-CE1 3.96Å; E59-H63 IonicContact OE1-NE2 2.9Å; E59-H63 PolarHBondContact OE1-NE2 3.3Å
60L93.7Very high95.5Very high33 Ų3355.7 Ų55.717%0.17328%0.283CS..Hα-helixtrans-54.4-36.7177.3-78.1171000112.1I24 L56 R57 Q62 H63 A66 L68 L81I24-L60 HydrophobicContact CD1-CD2 3.9Å; I24-L60 HydrophobicContact CD1-CG 4.41Å; L56-L60 WeakPolarHBondContact O-CG 3.04Å; L56-L60 PolarHBondContact O-N 3.29Å; R57-L60 PolarHBondContact O-N 3.16Å; L60-Q62 PolarHBondContact O-N 2.92Å; L60-H63 PolarHBondContact O-N 3.25Å; L60-A66 HydrophobicContact CD2-CB 3.88Å; L60-L68 HydrophobicContact CD1-CD2 3.8Å; L60-L68 HydrophobicContact CD2-CB 4.11Å; L60-L68 HydrophobicContact CG-CD2 4.33Å; L60-L81 HydrophobicContact CD1-CD2 4.48Å
61M91.1Very high95.4Very high98 Ų9852.5 Ų52.548%0.48327%0.267SS..THydrogen-bonded Turntrans-68.4-15.9177.6-73.6-56.2-79.800114.8R57 N58 E59 H63R57-M61 PolarHBondContact NH1-SD 2.79Å; R57-M61 PolarHBondContact NH2-SD 3.41Å; R57-M61 PolarHBondContact O-N 3.39Å; R57-M61 VanDerWaalsContact O-N 3.14Å; N58-M61 PolarHBondContact O-N 3.14Å; E59-M61 PolarHBondContact O-N 3.18Å; E59-M61 VanDerWaalsContact O-N 3.16Å; M61-H63 PolarHBondContact O-N 2.95Å
62Q92.7Very high95.2Very high143 Ų14348.9 Ų48.967%0.66824%0.244SC*.THydrogen-bonded Turntrans-76.1-11.5176.4-54.9-50.8-52.100112.5N58 E59 L60N58-Q62 PolarHBondContact O-NE2 2.93Å; E59-Q62 WeakPolarHBondContact O-CB 3.48Å; E59-Q62 PolarHBondContact O-N 3.33Å; L60-Q62 PolarHBondContact O-N 2.92Å
63H92.4Very high95.1Very high65 Ų6548.6 Ų48.630%0.30124%0.243SC..SBendtrans-122.6140.4-173.7-55.2-78.1000110.9P22 E59 L60 M61 N65 A66P22-H63 HydrophobicContact CG-CB 4Å; E59-H63 PolarHBondContact O-CD2 3.42Å; E59-H63 VanDerWaalsContact O-CD2 3.27Å; E59-H63 IonicContact OE1-CD2 2.75Å; E59-H63 IonicContact OE1-CE1 3.96Å; E59-H63 IonicContact OE1-NE2 2.9Å; E59-H63 PolarHBondContact OE1-NE2 3.3Å; L60-H63 PolarHBondContact O-N 3.25Å; M61-H63 PolarHBondContact O-N 2.95Å; H63-N65 VanDerWaalsContact C-N 3.31Å; H63-N65 WeakPolarHBondContact CB-O 3.32Å; H63-N65 PolarHBondContact O-N 3.38Å; H63-A66 HydrophobicContact CB-CB 4.08Å
64K91.4Very high95.1Very high201 Ų20150.6 Ų50.687%0.87425%0.251SS*.SBendtrans-63.1-40.1173-178.6178.6178.5179.80111.9
65N93.4Very high95.1Very high71 Ų7148.9 Ų48.938%0.3824%0.242SC..SBendtrans-139.7146.8172.5-54.7-64.3000108W21 P22 H63W21-N65 HydrophobicContact CD2-CB 3.37Å; W21-N65 HydrophobicContact CE3-CB 3.69Å; W21-N65 HydrophobicContact CG-CB 3.84Å; W21-N65 HydrophobicContact CH2-CB 4.05Å; W21-N65 HydrophobicContact CZ2-CB 3.75Å; W21-N65 HydrophobicContact CZ3-CB 4.02Å; P22-N65 WeakPolarHBondContact CD-O 3.33Å; P22-N65 VanDerWaalsContact CG-O 3.24Å; P22-N65 WeakPolarHBondContact CG-O 3.42Å; H63-N65 VanDerWaalsContact C-N 3.31Å; H63-N65 WeakPolarHBondContact CB-O 3.32Å; H63-N65 PolarHBondContact O-N 3.38Å
66A96.1Very high95.1Very high24 Ų2449.8 Ų49.820%0.19825%0.248CC..  trans-155.2159.9176.400000111P22 I24 L60 H63P22-A66 HydrophobicContact CG-CB 3.99Å; I24-A66 HydrophobicContact CD1-CB 3.91Å; L60-A66 HydrophobicContact CD2-CB 3.88Å; H63-A66 HydrophobicContact CB-CB 4.08Å
67I97.9Very high95.1Very high21 Ų2150 Ų5011%0.10825%0.249CC..EExtended strand (participates in β ladder)trans-114.7120.6171.2-60.2171.8000108.2L15 A16 I19 W21 P22 F23 I24L15-I67 HydrophobicContact CB-CD1 3.73Å; L15-I67 HydrophobicContact CD2-CD1 3.72Å; L15-I67 HydrophobicContact CD2-CG1 4.41Å; L15-I67 HydrophobicContact CG-CD1 3.53Å; A16-I67 VanDerWaalsContact CA-CD1 3.45Å; A16-I67 HydrophobicContact CB-CD1 3.9Å; I19-I67 HydrophobicContact CD1-CD1 3.91Å; I19-I67 HydrophobicContact CD1-CG1 4.48Å; I19-I67 HydrophobicContact CG1-CD1 4.28Å; W21-I67 HydrophobicContact CB-CD1 4.5Å; W21-I67 HydrophobicContact CB-CG1 4.41Å; W21-I67 HydrophobicContact CE3-CG1 4.07Å; P22-I67 PolarHBondContact O-N 2.57Å; F23-I67 WeakPolarHBondContact CA-O 3.29Å; F23-I67 HydrophobicContact CD2-CB 4.41Å; F23-I67 HydrophobicContact CD2-CG2 4.14Å; I24-I67 PolarHBondContact N-O 2.81Å
68L98.2Very high95.2Very high35 Ų3548.9 Ų48.918%0.18325%0.245CC..EExtended strand (participates in β ladder)trans-108122.6178.4171.763.7000111.1I24 L56 L60 C70 L81I24-L68 HydrophobicContact CB-CD1 3.96Å; I24-L68 HydrophobicContact CG2-CD1 3.69Å; L56-L68 HydrophobicContact CB-CD2 4.27Å; L56-L68 HydrophobicContact CD1-CD1 4.28Å; L56-L68 HydrophobicContact CD1-CD2 4.28Å; L56-L68 HydrophobicContact CD2-CD1 3.93Å; L60-L68 HydrophobicContact CD1-CD2 3.8Å; L60-L68 HydrophobicContact CD2-CB 4.11Å; L60-L68 HydrophobicContact CG-CD2 4.33Å; L68-C70 HydrophobicContact CD1-CB 4.17Å; L68-C70 HydrophobicContact CD2-CB 3.8Å; L68-C70 HydrophobicContact CG-CB 3.7Å; L68-C70 PolarHBondContact O-N 3.24Å; L68-L81 HydrophobicContact CD2-CD1 4.44Å; L68-L81 HydrophobicContact CD2-CD2 4.1Å
69A98.1Very high95.2Very high3 Ų347.1 Ų47.13%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-81.9103.3161.500000109.4K8 F23 I24 G26K8-A69 HydrophobicContact CB-CB 3.95Å; F23-A69 HydrophobicContact CE2-CB 3.69Å; F23-A69 HydrophobicContact CZ-CB 3.63Å; I24-A69 PolarHBondContact O-N 3.01Å; G26-A69 WeakPolarHBondContact CA-O 3.49Å; G26-A69 PolarHBondContact N-O 3.06Å
70C97.1Very high95.2Very high4 Ų446.7 Ų46.73%0.02723%0.234CC..  trans-138.3145.6176.3175.50000109.9M1 K8 W52 L56 L68M1-C70 WeakPolarHBondContact CA-O 3.49Å; M1-C70 WeakPolarHBondContact CB-O 3.49Å; K8-C70 WeakPolarHBondContact CD-O 3.26Å; W52-C70 WeakPolarHBondContact CH2-SG 3.5Å; L56-C70 HydrophobicContact CD1-CB 4.29Å; L68-C70 HydrophobicContact CD1-CB 4.17Å; L68-C70 HydrophobicContact CD2-CB 3.8Å; L68-C70 HydrophobicContact CG-CB 3.7Å; L68-C70 PolarHBondContact O-N 3.24Å
71S94.7Very high95.2Very high9 Ų945.4 Ų45.46%0.06323%0.228CC..  trans-63.8-45.9176.959.40000111.8G2 L73G2-S71 PolarHBondContact N-O 2.89Å; S71-L73 VanDerWaalsContact C-N 3.27Å; S71-L73 VanDerWaalsContact O-CD2 3.3Å; S71-L73 WeakPolarHBondContact O-CD2 3.41Å; S71-L73 PolarHBondContact O-N 3.46Å; S71-L73 VanDerWaalsContact O-N 3.15Å
72A93.6Very high95.3Very high2 Ų242.7 Ų42.72%0.01722%0.218CC..  trans43.445.117200000114.7M1 R78 L81M1-A72 HydrophobicContact CB-CB 4.16Å; M1-A72 WeakPolarHBondContact CE-O 3.2Å; A72-R78 HydrophobicContact CB-CG 4.09Å; A72-R78 WeakPolarHBondContact O-CG 3.12Å; A72-L81 HydrophobicContact CB-CD1 3.84Å
73L95.6Very high95Very high0 Ų038.3 Ų38.30%020%0.204CC..  trans-75.9-28.2-164.4-59.4173.1000114.5M1 S71 R78 Q125 T128 L129 E130M1-L73 HydrophobicContact CE-CD2 4.37Å; S71-L73 VanDerWaalsContact C-N 3.27Å; S71-L73 VanDerWaalsContact O-CD2 3.3Å; S71-L73 WeakPolarHBondContact O-CD2 3.41Å; S71-L73 PolarHBondContact O-N 3.46Å; S71-L73 VanDerWaalsContact O-N 3.15Å; L73-R78 PolarHBondContact O-NH1 2.86Å; L73-Q125 HydrophobicContact CD1-CB 3.64Å; L73-Q125 HydrophobicContact CD1-CG 3.62Å; L73-T128 HydrophobicContact CB-CG2 4.04Å; L73-T128 HydrophobicContact CD1-CG2 4.41Å; L73-L129 HydrophobicContact CD2-CB 4.46Å; L73-L129 HydrophobicContact CD2-CD1 3.93Å; L73-E130 PolarHBondContact O-N 2.98Å
74K97.2Very high94Very high41 Ų4137.6 Ų37.618%0.17821%0.206CC..SBendtrans-98.5149.3178-60.3-169.4177.9178.20111.9D46 S76 Y77 R78 T128 E130D46-K74 VanDerWaalsContact CG-NZ 3.27Å; D46-K74 IonicContact OD1-NZ 2.64Å; D46-K74 PolarHBondContact OD1-NZ 3.49Å; D46-K74 IonicContact OD2-NZ 2.67Å; D46-K74 PolarHBondContact OD2-NZ 3.01Å; K74-S76 VanDerWaalsContact C-N 3.27Å; K74-S76 PolarHBondContact O-N 3.34Å; K74-Y77 HydrophobicContact CB-CD1 4.18Å; K74-Y77 HydrophobicContact CB-CD2 3.76Å; K74-Y77 HydrophobicContact CB-CE1 4.31Å; K74-Y77 HydrophobicContact CB-CE2 3.88Å; K74-Y77 HydrophobicContact CB-CG 3.91Å; K74-Y77 HydrophobicContact CD-CE1 4.02Å; K74-Y77 HydrophobicContact CD-CE2 3.94Å; K74-Y77 HydrophobicContact CG-CD2 4.07Å; K74-Y77 HydrophobicContact CG-CE1 4.45Å; K74-Y77 HydrophobicContact CG-CE2 3.66Å; K74-Y77 WeakPolarHBondContact O-CB 3.19Å; K74-Y77 PolarHBondContact O-N 3.03Å; K74-R78 PolarHBondContact O-N 3.48Å; K74-R78 VanDerWaalsContact O-N 3.12Å; K74-T128 HydrophobicContact CD-CG2 4.37Å; K74-T128 HydrophobicContact CG-CG2 3.81Å; K74-E130 WeakPolarHBondContact CA-OE2 3.48Å; K74-E130 HydrophobicContact CG-CG 4.46Å; K74-E130 WeakPolarHBondContact CG-OE1 3.49Å
75K96.8Very high92.6Very high62 Ų6236.4 Ų36.427%0.2721%0.209SC..Hα-helixtrans-57.6-40.6173.8178.1165.9173.91620111.5Y77 R78 N79 E130 D135K75-Y77 PolarHBondContact O-N 3.16Å; K75-R78 PolarHBondContact O-N 2.87Å; K75-R78 VanDerWaalsContact O-N 3.14Å; K75-N79 VanDerWaalsContact O-CG 3.29Å; K75-N79 PolarHBondContact O-N 3.11Å; K75-N79 PolarHBondContact O-OD1 2.86Å; K75-E130 PolarHBondContact N-OE2 3.25Å; K75-D135 VanDerWaalsContact NZ-CG 3.31Å; K75-D135 IonicContact NZ-OD1 2.72Å; K75-D135 PolarHBondContact NZ-OD1 3.32Å; K75-D135 IonicContact NZ-OD2 2.89Å; K75-D135 PolarHBondContact NZ-OD2 2.95Å; K75-D135 VanDerWaalsContact NZ-OD2 3.11Å
76S96.3Very high91.2Very high55 Ų5537.1 Ų37.139%0.38521%0.213SC..Hα-helixtrans-58.8-35.3176.258.80000113K74 I80K74-S76 VanDerWaalsContact C-N 3.27Å; K74-S76 PolarHBondContact O-N 3.34Å; S76-I80 WeakPolarHBondContact O-CG1 3.41Å; S76-I80 PolarHBondContact O-N 3.15Å
77Y97.2Very high89.6Confident5 Ų542.9 Ų42.92%0.0225%0.245CC..Hα-helixtrans-71.9-42.1176.7-54.9-16.8000111.6D46 R49 L53 K74 K75 N79 I80 L81D46-Y77 PolarHBondContact OD1-OH 2.84Å; R49-Y77 VanDerWaalsContact CD-CE2 3.47Å; R49-Y77 PolarHBondContact NH1-OH 3.12Å; R49-Y77 VanDerWaalsContact NH1-OH 3.15Å; L53-Y77 HydrophobicContact CD1-CD1 3.41Å; L53-Y77 VanDerWaalsContact CD1-CD1 3.41Å; L53-Y77 HydrophobicContact CD1-CD2 4.37Å; L53-Y77 HydrophobicContact CD1-CE1 4.13Å; L53-Y77 HydrophobicContact CD1-CG 3.55Å; K74-Y77 HydrophobicContact CB-CD1 4.18Å; K74-Y77 HydrophobicContact CB-CD2 3.76Å; K74-Y77 HydrophobicContact CB-CE1 4.31Å; K74-Y77 HydrophobicContact CB-CE2 3.88Å; K74-Y77 HydrophobicContact CB-CG 3.91Å; K74-Y77 HydrophobicContact CD-CE1 4.02Å; K74-Y77 HydrophobicContact CD-CE2 3.94Å; K74-Y77 HydrophobicContact CG-CD2 4.07Å; K74-Y77 HydrophobicContact CG-CE1 4.45Å; K74-Y77 HydrophobicContact CG-CE2 3.66Å; K74-Y77 WeakPolarHBondContact O-CB 3.19Å; K74-Y77 PolarHBondContact O-N 3.03Å; K75-Y77 PolarHBondContact O-N 3.16Å; Y77-N79 VanDerWaalsContact C-N 3.3Å; Y77-N79 PolarHBondContact O-N 3.36Å; Y77-I80 PolarHBondContact O-N 3.26Å; Y77-L81 WeakPolarHBondContact O-CG 3.4Å; Y77-L81 PolarHBondContact O-N 3.06Å; Y77-L81 VanDerWaalsContact O-N 3.14Å
78R96.7Very high88.3Confident0 Ų048 Ų480%027%0.273CS..Hα-helixtrans-61.7-42176.5-65.2-169.9-54.8-104.86.5110.5A72 L73 K74 K75 I80 L81 S82 F95 E130 S131 E136A72-R78 HydrophobicContact CB-CG 4.09Å; A72-R78 WeakPolarHBondContact O-CG 3.12Å; L73-R78 PolarHBondContact O-NH1 2.86Å; K74-R78 PolarHBondContact O-N 3.48Å; K74-R78 VanDerWaalsContact O-N 3.12Å; K75-R78 PolarHBondContact O-N 2.87Å; K75-R78 VanDerWaalsContact O-N 3.14Å; R78-I80 VanDerWaalsContact C-N 3.33Å; R78-I80 PolarHBondContact O-N 3.44Å; R78-L81 PolarHBondContact O-N 2.75Å; R78-S82 PolarHBondContact O-N 3.29Å; R78-S82 PolarHBondContact O-OG 3.26Å; R78-F95 HydrophobicContact CB-CD1 4.44Å; R78-F95 HydrophobicContact CB-CE1 3.76Å; R78-F95 HydrophobicContact CB-CE2 4.01Å; R78-F95 HydrophobicContact CB-CZ 3.52Å; R78-F95 HydrophobicContact CG-CD1 4.01Å; R78-F95 HydrophobicContact CG-CE1 3.69Å; R78-F95 HydrophobicContact CG-CZ 3.99Å; R78-F95 WeakPolarHBondContact O-CZ 3.47Å; R78-E130 PolarHBondContact NH1-O 3.25Å; R78-S131 PolarHBondContact NH2-O 3.06Å; R78-E136 WeakPolarHBondContact CB-OE1 3.39Å; R78-E136 WeakPolarHBondContact CD-OE1 3.43Å; R78-E136 IonicContact CZ-OE1 3.46Å; R78-E136 IonicContact CZ-OE2 3.63Å; R78-E136 IonicContact NE-OE1 3.02Å; R78-E136 PolarHBondContact NE-OE1 3.36Å; R78-E136 IonicContact NE-OE2 3.53Å; R78-E136 PolarHBondContact NE-OE2 3.48Å; R78-E136 IonicContact NH2-OE1 2.67Å; R78-E136 IonicContact NH2-OE2 3.54Å; R78-E136 PolarHBondContact NH2-OE2 3.14Å
79N94.3Very high86.9Confident67 Ų6748.1 Ų48.136%0.35827%0.274SS..Hα-helixtrans-57.2-41.6173.2-71.1-2.4000112.8K75 Y77 L81 S82 S83K75-N79 VanDerWaalsContact O-CG 3.29Å; K75-N79 PolarHBondContact O-N 3.11Å; K75-N79 PolarHBondContact O-OD1 2.86Å; Y77-N79 VanDerWaalsContact C-N 3.3Å; Y77-N79 PolarHBondContact O-N 3.36Å; N79-L81 VanDerWaalsContact C-N 3.31Å; N79-L81 PolarHBondContact O-N 3.01Å; N79-S82 PolarHBondContact O-N 3.2Å; N79-S83 WeakPolarHBondContact O-CA 3.43Å; N79-S83 WeakPolarHBondContact O-CB 3.24Å; N79-S83 PolarHBondContact O-N 3.01Å; N79-S83 PolarHBondContact O-OG 3.03Å
80I94.8Very high85.6Confident41 Ų4153.4 Ų53.421%0.2131%0.307CS..Hα-helixtrans-64.8-37.7176.7-67161.2000111.3L50 L53 R57 S76 Y77 R78 S83L50-I80 HydrophobicContact CD1-CD1 3.69Å; L53-I80 HydrophobicContact CB-CB 4.44Å; L53-I80 HydrophobicContact CB-CD1 4.46Å; L53-I80 HydrophobicContact CB-CG2 3.86Å; L53-I80 HydrophobicContact CD1-CD1 4.06Å; R57-I80 WeakPolarHBondContact CD-O 3.36Å; S76-I80 WeakPolarHBondContact O-CG1 3.41Å; S76-I80 PolarHBondContact O-N 3.15Å; Y77-I80 PolarHBondContact O-N 3.26Å; R78-I80 VanDerWaalsContact C-N 3.33Å; R78-I80 PolarHBondContact O-N 3.44Å; I80-S83 PolarHBondContact O-OG 3.47Å; I80-S83 VanDerWaalsContact O-OG 3.11Å
81L94.5Very high84.7Confident7 Ų755.9 Ų55.94%0.03732%0.322CS..Hα-helixtrans-75.8-31.3-179.3-66.7172.4000112.6L53 L56 R57 L60 L68 A72 Y77 R78 N79L53-L81 HydrophobicContact CD2-CD1 4.09Å; L53-L81 HydrophobicContact CD2-CD2 4.25Å; L53-L81 HydrophobicContact CD2-CG 4.13Å; L56-L81 HydrophobicContact CB-CD2 3.93Å; R57-L81 VanDerWaalsContact CD-O 3.23Å; R57-L81 WeakPolarHBondContact CD-O 3.28Å; L60-L81 HydrophobicContact CD1-CD2 4.48Å; L68-L81 HydrophobicContact CD2-CD1 4.44Å; L68-L81 HydrophobicContact CD2-CD2 4.1Å; A72-L81 HydrophobicContact CB-CD1 3.84Å; Y77-L81 WeakPolarHBondContact O-CG 3.4Å; Y77-L81 PolarHBondContact O-N 3.06Å; Y77-L81 VanDerWaalsContact O-N 3.14Å; R78-L81 PolarHBondContact O-N 2.75Å; N79-L81 VanDerWaalsContact C-N 3.31Å; N79-L81 PolarHBondContact O-N 3.01Å
82S92.5Very high84.3Confident40 Ų4066.2 Ų66.228%0.2836%0.36SS..Hα-helixtrans-96.9-7.8179.965.50000114.2R78 N79R78-S82 PolarHBondContact O-N 3.29Å; R78-S82 PolarHBondContact O-OG 3.26Å; N79-S82 PolarHBondContact O-N 3.2Å
83S86Confident84.3Confident52 Ų5268.2 Ų68.236%0.36437%0.372SS..  trans-67.5140.9-178.659.20000111.3R57 N79 I80R57-S83 PolarHBondContact NE-O 3.31Å; R57-S83 PolarHBondContact NH2-O 3.32Å; N79-S83 WeakPolarHBondContact O-CA 3.43Å; N79-S83 WeakPolarHBondContact O-CB 3.24Å; N79-S83 PolarHBondContact O-N 3.01Å; N79-S83 PolarHBondContact O-OG 3.03Å; I80-S83 PolarHBondContact O-OG 3.47Å; I80-S83 VanDerWaalsContact O-OG 3.11Å
84S71.4Confident84.3Confident49 Ų4970.1 Ų70.134%0.34338%0.382SS..  trans-107.3148163.867.50000110.3D86 D89S84-D86 WeakPolarHBondContact CB-O 3.1Å; S84-D86 PolarHBondContact OG-O 2.88Å; S84-D89 WeakPolarHBondContact CB-OD2 3.49Å; S84-D89 WeakPolarHBondContact OG-CB 3.49Å
85N62.3Low84.3Confident177 Ų17768.9 Ų68.995%0.94738%0.377SS*.SBendtrans-84.4-3.1168.2-71.5-19.4000112
86D64Low84.3Confident86 Ų8667 Ų6746%0.4637%0.37SS..SBendtrans-124.1126.5-179.2-173.4-12.8000109.6S84 N88 D89S84-D86 WeakPolarHBondContact CB-O 3.1Å; S84-D86 PolarHBondContact OG-O 2.88Å; D86-N88 PolarHBondContact O-N 3.05Å; D86-N88 PolarHBondContact OD1-N 2.8Å; D86-N88 PolarHBondContact OD1-ND2 3.01Å; D86-D89 HydrophobicContact CB-CB 4.2Å; D86-D89 WeakPolarHBondContact O-CB 3.45Å; D86-D89 PolarHBondContact O-N 3.3Å
87V63.5Low84.4Confident144 Ų14465.2 Ų65.287%0.87336%0.356SS*.THydrogen-bonded Turntrans-63-19.1176.7-70.70000112.9
88N70Confident84.4Confident130 Ų13065.1 Ų65.170%0.69536%0.356SS*.THydrogen-bonded Turntrans-96.75.2174.2-55.9-65.1000112.9D86 P90D86-N88 PolarHBondContact O-N 3.05Å; D86-N88 PolarHBondContact OD1-N 2.8Å; D86-N88 PolarHBondContact OD1-ND2 3.01Å; N88-P90 WeakPolarHBondContact O-CD 3.37Å; N88-P90 VanDerWaalsContact O-N 3.13Å
89D68.7Low84.4Confident37 Ų3767.6 Ų67.620%0.19837%0.374CS..  trans-62.2115.5-179.9-172.5-9.9000109.7R57 S84 D86 T91R57-D89 IonicContact NH2-OD2 3.74Å; S84-D89 WeakPolarHBondContact CB-OD2 3.49Å; S84-D89 WeakPolarHBondContact OG-CB 3.49Å; D86-D89 HydrophobicContact CB-CB 4.2Å; D86-D89 WeakPolarHBondContact O-CB 3.45Å; D86-D89 PolarHBondContact O-N 3.3Å; D89-T91 PolarHBondContact O-N 2.8Å; D89-T91 VanDerWaalsContact O-N 3.12Å; D89-T91 WeakPolarHBondContact OD1-CA 3.42Å; D89-T91 WeakPolarHBondContact OD1-CB 3.29Å; D89-T91 PolarHBondContact OD1-N 3.06Å; D89-T91 PolarHBondContact OD1-OG1 2.69Å; D89-T91 PolarHBondContact OD2-OG1 2.86Å; D89-T91 VanDerWaalsContact OD2-OG1 3.07Å
90P71.2Confident84.4Confident113 Ų11365 Ų6573%0.73436%0.361SS*.  trans-75.26.317834.6-37000112.3N88 R92N88-P90 WeakPolarHBondContact O-CD 3.37Å; N88-P90 VanDerWaalsContact O-N 3.13Å; P90-R92 WeakPolarHBondContact O-CG 3.33Å; P90-R92 PolarHBondContact O-N 2.67Å; P90-R92 VanDerWaalsContact O-N 3.09Å
91T76.7Confident84.3Confident56 Ų5668 Ų6834%0.34438%0.378SS..  trans-53.8116.1-179.6-68.40000110.2D89D89-T91 PolarHBondContact O-N 2.8Å; D89-T91 VanDerWaalsContact O-N 3.12Å; D89-T91 WeakPolarHBondContact OD1-CA 3.42Å; D89-T91 WeakPolarHBondContact OD1-CB 3.29Å; D89-T91 PolarHBondContact OD1-N 3.06Å; D89-T91 PolarHBondContact OD1-OG1 2.69Å; D89-T91 PolarHBondContact OD2-OG1 2.86Å; D89-T91 VanDerWaalsContact OD2-OG1 3.07Å
92R87.3Confident84.2Confident227 Ų22771.1 Ų71.186%0.85739%0.391SS*.  trans-111.3121.9172.9-67.5178-175.5-161.8-1.3108.1P90P90-R92 WeakPolarHBondContact O-CG 3.33Å; P90-R92 PolarHBondContact O-N 2.67Å; P90-R92 VanDerWaalsContact O-N 3.09Å
93T93Very high84.2Confident43 Ų4373.2 Ų73.226%0.26441%0.406SS..  trans-106.1127.7175.5-58.10000109.5F95T93-F95 HydrophobicContact CG2-CD1 4.4Å; T93-F95 HydrophobicContact CG2-CD2 4.12Å; T93-F95 HydrophobicContact CG2-CE1 3.96Å; T93-F95 HydrophobicContact CG2-CE2 3.65Å; T93-F95 HydrophobicContact CG2-CG 4.47Å; T93-F95 HydrophobicContact CG2-CZ 3.55Å
94L95.2Very high84.5Confident40 Ų4072.7 Ų72.721%0.20940%0.399CS..  trans-105.2116.3168.2173.866.7000108.8V96 K137 L139 T157 L158L94-V96 HydrophobicContact CD2-CG2 4.19Å; L94-V96 HydrophobicContact CG-CG2 4.17Å; L94-K137 WeakPolarHBondContact CA-O 3.35Å; L94-K137 HydrophobicContact CD1-CD 4.42Å; L94-K137 HydrophobicContact CD1-CG 3.9Å; L94-L139 HydrophobicContact CD1-CB 4.41Å; L94-T157 HydrophobicContact CD1-CG2 4.27Å; L94-T157 HydrophobicContact CD2-CG2 3.93Å; L94-L158 HydrophobicContact CD2-CD2 3.88Å; L94-L158 HydrophobicContact CD2-CG 4.43Å
95F97.3Very high85.6Confident16 Ų1670.3 Ų70.37%0.0738%0.382CS..EExtended strand (participates in β ladder)trans-86.8113.5173.4-66.5-79.8000110.8M1 R78 T93 F132 K137 Y138 L139M1-F95 HydrophobicContact SD-CB 4.36Å; M1-F95 HydrophobicContact SD-CD1 4.49Å; R78-F95 HydrophobicContact CB-CD1 4.44Å; R78-F95 HydrophobicContact CB-CE1 3.76Å; R78-F95 HydrophobicContact CB-CE2 4.01Å; R78-F95 HydrophobicContact CB-CZ 3.52Å; R78-F95 HydrophobicContact CG-CD1 4.01Å; R78-F95 HydrophobicContact CG-CE1 3.69Å; R78-F95 HydrophobicContact CG-CZ 3.99Å; R78-F95 WeakPolarHBondContact O-CZ 3.47Å; T93-F95 HydrophobicContact CG2-CD1 4.4Å; T93-F95 HydrophobicContact CG2-CD2 4.12Å; T93-F95 HydrophobicContact CG2-CE1 3.96Å; T93-F95 HydrophobicContact CG2-CE2 3.65Å; T93-F95 HydrophobicContact CG2-CG 4.47Å; T93-F95 HydrophobicContact CG2-CZ 3.55Å; F95-F132 HydrophobicContact CB-CE1 3.6Å; F95-F132 HydrophobicContact CB-CZ 4.1Å; F95-F132 HydrophobicContact CG-CE1 4.24Å; F95-K137 PolarHBondContact N-O 3.11Å; F95-Y138 CarbonylContact O-C 3.46Å; F95-Y138 WeakPolarHBondContact O-CA 3.32Å; F95-Y138 WeakPolarHBondContact O-CB 3.29Å; F95-L139 PolarHBondContact O-N 3.43Å
96V98.1Very high86.9Confident22 Ų2265.5 Ų65.513%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-96.3108.6172.9-176.30000109.7M1 L94 L98 L139 I141 I154M1-V96 WeakPolarHBondContact CG-O 3.38Å; M1-V96 PolarHBondContact N-O 3.13Å; L94-V96 HydrophobicContact CD2-CG2 4.19Å; L94-V96 HydrophobicContact CG-CG2 4.17Å; V96-L98 HydrophobicContact CG1-CD2 4.3Å; V96-L139 CarbonylContact C-O 3.48Å; V96-L139 WeakPolarHBondContact CA-O 3.21Å; V96-I141 HydrophobicContact CG1-CD1 3.9Å; V96-I141 HydrophobicContact CG1-CG1 4.29Å; V96-I154 HydrophobicContact CG1-CD1 3.88Å; V96-I154 HydrophobicContact CG1-CG1 3.94Å; V96-I154 HydrophobicContact CG2-CD1 4.42Å; V96-I154 HydrophobicContact CG2-CG1 4.2Å; V96-I154 HydrophobicContact CG2-CG2 4.08Å
97L98.2Very high88.2Confident17 Ų1767 Ų679%0.08936%0.357CS..EExtended strand (participates in β ladder)trans-84.8113.6171.9173.260.3000110.2M1 S99 L129 F132 L139 V140 I141M1-L97 HydrophobicContact CE-CD1 4.19Å; M1-L97 HydrophobicContact CG-CB 4.22Å; M1-L97 HydrophobicContact CG-CD1 4.46Å; L97-S99 PolarHBondContact O-N 2.86Å; L97-L129 HydrophobicContact CD1-CD1 4.25Å; L97-L129 HydrophobicContact CD1-CD2 4.19Å; L97-L129 HydrophobicContact CD2-CD2 4.33Å; L97-F132 HydrophobicContact CB-CE2 3.83Å; L97-F132 HydrophobicContact CB-CZ 3.87Å; L97-F132 HydrophobicContact CD2-CE2 4Å; L97-L139 PolarHBondContact N-O 2.7Å; L97-V140 HydrophobicContact CB-CG1 4.47Å; L97-V140 HydrophobicContact CB-CG2 4.3Å; L97-V140 HydrophobicContact CD2-CG1 4.13Å; L97-V140 HydrophobicContact CD2-CG2 4.23Å; L97-V140 HydrophobicContact CG-CG1 4.3Å; L97-I141 PolarHBondContact O-N 3.15Å
98L98Very high89.5Confident4 Ų464 Ų642%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-83.696.6167.2-61.7-179.5000108.7M1 C6 K8 V11 V96 I141 A143 I150M1-L98 PolarHBondContact O-N 3.35Å; C6-L98 HydrophobicContact CB-CB 4.06Å; C6-L98 WeakPolarHBondContact CB-O 3.3Å; K8-L98 HydrophobicContact CG-CD1 4.47Å; V11-L98 HydrophobicContact CB-CD1 4Å; V11-L98 HydrophobicContact CG1-CD1 4.41Å; V11-L98 HydrophobicContact CG2-CD1 3.77Å; V11-L98 HydrophobicContact CG2-CD2 4.43Å; V96-L98 HydrophobicContact CG1-CD2 4.3Å; L98-I141 WeakPolarHBondContact CA-O 3.3Å; L98-I141 HydrophobicContact CD2-CB 4.37Å; L98-A143 HydrophobicContact CB-CB 4.07Å; L98-I150 HydrophobicContact CD2-CG2 3.78Å
99S96.2Very high90.2Very high52 Ų5258.5 Ų58.536%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-82.2136.7-178.6-174.60000110.8L97 I141 A143L97-S99 PolarHBondContact O-N 2.86Å; S99-I141 PolarHBondContact N-O 3.44Å; S99-A143 VanDerWaalsContact O-CB 3.29Å; S99-A143 WeakPolarHBondContact O-CB 3.31Å; S99-A143 PolarHBondContact O-N 2.75Å
100A94.1Very high91Very high12 Ų1261.3 Ų61.310%0.09932%0.323CS..  trans-154147.9172.600000109.4L104 L105 A143A100-L104 HydrophobicContact CB-CD2 3.96Å; A100-L104 HydrophobicContact CB-CG 4.43Å; A100-L105 HydrophobicContact CB-CD2 3.76Å; A100-L105 HydrophobicContact CB-CG 3.9Å; A100-A143 HydrophobicContact CB-CB 4.2Å
101N92.7Very high91.8Very high105 Ų10561.9 Ų61.956%0.56132%0.316SS*.  trans-70.8158.6174.567.846.7000111.8S103 L104 L105N101-S103 VanDerWaalsContact C-N 3.26Å; N101-S103 PolarHBondContact O-N 3.42Å; N101-S103 PolarHBondContact OD1-N 3.5Å; N101-L104 PolarHBondContact O-N 2.85Å; N101-L104 WeakPolarHBondContact OD1-CB 3.45Å; N101-L104 PolarHBondContact OD1-N 3.32Å; N101-L105 WeakPolarHBondContact O-CG 3.35Å; N101-L105 PolarHBondContact O-N 3.15Å; N101-L105 VanDerWaalsContact O-N 3.12Å
102K92Very high92Very high71 Ų7165.5 Ų65.531%0.30932%0.323SS..Hα-helixtrans-51.9-43.2-178.8-173.5177.8-177.6178.80112.6L105 Q106 E123 L126K102-L105 PolarHBondContact O-N 3.46Å; K102-Q106 HydrophobicContact CG-CG 4.35Å; K102-Q106 WeakPolarHBondContact O-CB 3.13Å; K102-Q106 VanDerWaalsContact O-CG 3.3Å; K102-Q106 WeakPolarHBondContact O-CG 3.46Å; K102-Q106 PolarHBondContact O-N 2.82Å; K102-E123 IonicContact NZ-OE1 3.95Å; K102-E123 PolarHBondContact NZ-OE1 3.44Å; K102-E123 IonicContact NZ-OE2 3.54Å; K102-E123 PolarHBondContact NZ-OE2 2.98Å; K102-L126 HydrophobicContact CB-CD1 3.74Å; K102-L126 HydrophobicContact CG-CD1 3.94Å
103S92.3Very high91.1Very high85 Ų8564.4 Ų64.459%0.59433%0.325SS*.Hα-helixtrans-62.5-46.2-178.3-178.10000112.2N101 L105 Q106 K107N101-S103 VanDerWaalsContact C-N 3.26Å; N101-S103 PolarHBondContact O-N 3.42Å; N101-S103 PolarHBondContact OD1-N 3.5Å; S103-L105 PolarHBondContact O-N 3.07Å; S103-Q106 PolarHBondContact O-N 3.12Å; S103-K107 WeakPolarHBondContact O-CB 3.39Å; S103-K107 PolarHBondContact O-N 2.67Å
104L92.9Very high89.7Confident40 Ų4066 Ų6621%0.20935%0.35CS..Hα-helixtrans-63.4-42.5177179.359.5000111.7A100 N101 K107 R108A100-L104 HydrophobicContact CB-CD2 3.96Å; A100-L104 HydrophobicContact CB-CG 4.43Å; N101-L104 PolarHBondContact O-N 2.85Å; N101-L104 WeakPolarHBondContact OD1-CB 3.45Å; N101-L104 PolarHBondContact OD1-N 3.32Å; L104-K107 PolarHBondContact O-N 3.24Å; L104-R108 HydrophobicContact CD1-CG 4.3Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 3.44Å
105L93.2Very high88.2Confident0 Ų069.9 Ų69.90%037%0.367CS..Hα-helixtrans-62.5-47.5177.3-65.5172.3000111.4P3 C6 A100 N101 K102 S103 K107 R108 V109 I122 L126P3-L105 HydrophobicContact CB-CD1 4.05Å; P3-L105 HydrophobicContact CG-CD1 3.5Å; P3-L105 VanDerWaalsContact CG-CD1 3.5Å; P3-L105 HydrophobicContact CG-CD2 4.2Å; C6-L105 HydrophobicContact CB-CD2 3.77Å; A100-L105 HydrophobicContact CB-CD2 3.76Å; A100-L105 HydrophobicContact CB-CG 3.9Å; N101-L105 WeakPolarHBondContact O-CG 3.35Å; N101-L105 PolarHBondContact O-N 3.15Å; N101-L105 VanDerWaalsContact O-N 3.12Å; K102-L105 PolarHBondContact O-N 3.46Å; S103-L105 PolarHBondContact O-N 3.07Å; L105-K107 PolarHBondContact O-N 2.72Å; L105-R108 PolarHBondContact O-N 3.24Å; L105-V109 WeakPolarHBondContact O-CB 3.05Å; L105-V109 WeakPolarHBondContact O-CG2 3.16Å; L105-V109 PolarHBondContact O-N 2.92Å; L105-I122 HydrophobicContact CB-CG2 3.76Å; L105-I122 HydrophobicContact CD1-CG2 3.95Å; L105-L126 HydrophobicContact CD1-CD1 4.23Å; L105-L126 HydrophobicContact CD1-CD2 3.89Å; L105-L126 HydrophobicContact CD1-CG 4.26Å
106Q90.3Very high86.6Confident75 Ų7578.2 Ų78.235%0.3540%0.403SS..Hα-helixtrans-60-45.3177.8-76177.2-3400111.8K102 S103 V109 S110 I122K102-Q106 HydrophobicContact CG-CG 4.35Å; K102-Q106 WeakPolarHBondContact O-CB 3.13Å; K102-Q106 VanDerWaalsContact O-CG 3.3Å; K102-Q106 WeakPolarHBondContact O-CG 3.46Å; K102-Q106 PolarHBondContact O-N 2.82Å; S103-Q106 PolarHBondContact O-N 3.12Å; Q106-V109 PolarHBondContact O-N 3.14Å; Q106-S110 WeakPolarHBondContact O-CB 3.45Å; Q106-S110 PolarHBondContact O-N 3.35Å; Q106-S110 PolarHBondContact O-OG 3.24Å; Q106-I122 HydrophobicContact CB-CD1 4.38Å; Q106-I122 HydrophobicContact CG-CD1 3.83Å
107K90.5Very high85.3Confident118 Ų11879 Ų7951%0.51341%0.406SS..Hα-helixtrans-59-49.8175.9-178.9-179175.1-178.40111.9S103 L104 L105 V109 S110 E111S103-K107 WeakPolarHBondContact O-CB 3.39Å; S103-K107 PolarHBondContact O-N 2.67Å; L104-K107 PolarHBondContact O-N 3.24Å; L105-K107 PolarHBondContact O-N 2.72Å; K107-V109 VanDerWaalsContact C-N 3.3Å; K107-V109 PolarHBondContact O-N 3.26Å; K107-S110 PolarHBondContact O-N 3.19Å; K107-S110 PolarHBondContact O-OG 3.49Å; K107-E111 WeakPolarHBondContact CE-OE1 3.38Å; K107-E111 IonicContact NZ-OE1 3.11Å; K107-E111 WeakPolarHBondContact O-CG 3.49Å; K107-E111 PolarHBondContact O-N 2.85Å
108R90.9Very high84.4Confident81 Ų8182 Ų8231%0.30642%0.42SS..Hα-helixtrans-62.4-38.5-179.4-77.6-178.5170.9172.81.2112.5G5 L104 L105 R112 A143G5-R108 VanDerWaalsContact O-CD 3.24Å; G5-R108 WeakPolarHBondContact O-CD 3.33Å; L104-R108 HydrophobicContact CD1-CG 4.3Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 3.44Å; L105-R108 PolarHBondContact O-N 3.24Å; R108-R112 PolarHBondContact O-N 2.98Å; R108-A143 VanDerWaalsContact CZ-O 3.32Å; R108-A143 PolarHBondContact NH1-O 3.21Å; R108-A143 PolarHBondContact NH2-O 2.83Å
109V86.4Confident83.5Confident15 Ų1585.1 Ų85.19%0.09144%0.44CS..Hα-helixtrans-69-43.5177.7164.90000111.2L105 Q106 K107 E111 R112 I117 I122L105-V109 WeakPolarHBondContact O-CB 3.05Å; L105-V109 WeakPolarHBondContact O-CG2 3.16Å; L105-V109 PolarHBondContact O-N 2.92Å; Q106-V109 PolarHBondContact O-N 3.14Å; K107-V109 VanDerWaalsContact C-N 3.3Å; K107-V109 PolarHBondContact O-N 3.26Å; V109-E111 VanDerWaalsContact C-N 3.35Å; V109-E111 PolarHBondContact O-N 3.35Å; V109-R112 PolarHBondContact O-N 2.95Å; V109-I117 HydrophobicContact CG1-CB 3.67Å; V109-I117 HydrophobicContact CG1-CG1 4.46Å; V109-I117 HydrophobicContact CG1-CG2 4.34Å; V109-I122 HydrophobicContact CB-CD1 4.02Å; V109-I122 HydrophobicContact CG1-CD1 4.33Å; V109-I122 HydrophobicContact CG2-CD1 3.88Å; V109-I122 HydrophobicContact CG2-CG1 4.47Å
110S84.6Confident82.9Confident95 Ų9585 Ų8566%0.66444%0.439SS*.Hα-helixtrans-68.8-31.5-178.766.20000113.4Q106 K107 R112Q106-S110 WeakPolarHBondContact O-CB 3.45Å; Q106-S110 PolarHBondContact O-N 3.35Å; Q106-S110 PolarHBondContact O-OG 3.24Å; K107-S110 PolarHBondContact O-N 3.19Å; K107-S110 PolarHBondContact O-OG 3.49Å; S110-R112 VanDerWaalsContact C-N 3.3Å
111E87.1Confident82.5Confident126 Ų12685 Ų8559%0.58944%0.438SS*.Hα-helixtrans-74.9-18.9176.5-71.4173.5171.100112.9K107 V109 K113K107-E111 WeakPolarHBondContact CE-OE1 3.38Å; K107-E111 IonicContact NZ-OE1 3.11Å; K107-E111 WeakPolarHBondContact O-CG 3.49Å; K107-E111 PolarHBondContact O-N 2.85Å; V109-E111 VanDerWaalsContact C-N 3.35Å; V109-E111 PolarHBondContact O-N 3.35Å; E111-K113 PolarHBondContact O-N 3.25Å; E111-K113 VanDerWaalsContact O-N 3.15Å
112R81.8Confident82.4Confident131 Ų13180.1 Ų80.149%0.49441%0.411SS..  trans-78.9101.9-175.9-159.1172.1-172.2179.9-0.2110.8R108 V109 S110 G114R108-R112 PolarHBondContact O-N 2.98Å; V109-R112 PolarHBondContact O-N 2.95Å; S110-R112 VanDerWaalsContact C-N 3.3Å; R112-G114 PolarHBondContact O-N 3.31Å
113K68.1Low82.3Confident205 Ų20580.7 Ų80.789%0.89142%0.415SS*.THydrogen-bonded Turntrans-64.2132.7174.7-62.2-171180-176.60110.8E111E111-K113 PolarHBondContact O-N 3.25Å; E111-K113 VanDerWaalsContact O-N 3.15Å
114G64.3Low82.2Confident77 Ų7777.7 Ų77.779%0.79439%0.394SS*.THydrogen-bonded Turntrans92.9-8.4168.400000116.9R112R112-G114 PolarHBondContact O-N 3.31Å
115H63.5Low82.2Confident121 Ų12176.8 Ų76.856%0.5639%0.389SS*.  trans-125.891.2172.3-75.7-1.1000109.4I117H115-I117 PolarHBondContact O-N 3.4Å
116F64Low82.2Confident190 Ų19079.4 Ų79.483%0.83340%0.402SS*.  trans-75.195.3179.4-148.2-91.6000108.9
117I71.3Confident82.3Confident39 Ų3982.9 Ų82.920%0.242%0.419CS..  trans-91.7120.2172.2-56-171.7000107C4 V109 H115 L121C4-I117 HydrophobicContact CB-CD1 4.2Å; C4-I117 WeakPolarHBondContact SG-CD1 3.43Å; V109-I117 HydrophobicContact CG1-CB 3.67Å; V109-I117 HydrophobicContact CG1-CG1 4.46Å; V109-I117 HydrophobicContact CG1-CG2 4.34Å; H115-I117 PolarHBondContact O-N 3.4Å; I117-L121 HydrophobicContact CG2-CB 4.24Å; I117-L121 HydrophobicContact CG2-CD1 4.1Å
118H79.2Confident82.5Confident81 Ų8178.9 Ų78.938%0.37540%0.404SS..  trans-62128.8-179.3-163.4-83.6000109.9G41 S120 L121G41-H118 VanDerWaalsContact CA-CB 3.46Å; H118-S120 PolarHBondContact CE1-OG 2.9Å; H118-S120 PolarHBondContact ND1-N 3.33Å; H118-S120 PolarHBondContact ND1-OG 3.4Å; H118-S120 PolarHBondContact O-N 3.37Å; H118-S120 VanDerWaalsContact O-N 3.1Å; H118-L121 HydrophobicContact CB-CD1 4.37Å; H118-L121 HydrophobicContact CB-CG 4.31Å; H118-L121 VanDerWaalsContact O-CB 3.29Å; H118-L121 WeakPolarHBondContact O-CB 3.4Å; H118-L121 PolarHBondContact O-N 2.98Å
119P77.4Confident82.7Confident69 Ų6977.6 Ų77.645%0.44840%0.403SS..Hα-helixtrans-55.2-32.3-175.4-29.335.3000114.7L121 I122P119-L121 PolarHBondContact O-N 3.48Å; P119-I122 WeakPolarHBondContact O-CB 3.35Å; P119-I122 PolarHBondContact O-N 3.07Å; P119-I122 VanDerWaalsContact O-N 3.09Å
120S83.5Confident83.2Confident49 Ų4980.8 Ų80.834%0.34342%0.417SS..Hα-helixtrans-59.9-26.6175.465.40000113.1G41 H118 I122 E123 S124G41-S120 PolarHBondContact O-OG 2.94Å; H118-S120 PolarHBondContact CE1-OG 2.9Å; H118-S120 PolarHBondContact ND1-N 3.33Å; H118-S120 PolarHBondContact ND1-OG 3.4Å; H118-S120 PolarHBondContact O-N 3.37Å; H118-S120 VanDerWaalsContact O-N 3.1Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 2.73Å; S120-E123 PolarHBondContact O-N 2.99Å; S120-S124 PolarHBondContact O-N 3.48Å; S120-S124 PolarHBondContact O-OG 3.47Å
121L87.2Confident83.8Confident13 Ų1381.4 Ų81.47%0.06842%0.422CS..Hα-helixtrans-67.2-33.7177-67.4178.1000111.5M38 I117 H118 P119 S124 Q125M38-L121 HydrophobicContact CB-CD1 4.42Å; M38-L121 WeakPolarHBondContact O-CD1 3.46Å; I117-L121 HydrophobicContact CG2-CB 4.24Å; I117-L121 HydrophobicContact CG2-CD1 4.1Å; H118-L121 HydrophobicContact CB-CD1 4.37Å; H118-L121 HydrophobicContact CB-CG 4.31Å; H118-L121 VanDerWaalsContact O-CB 3.29Å; H118-L121 WeakPolarHBondContact O-CB 3.4Å; H118-L121 PolarHBondContact O-N 2.98Å; P119-L121 PolarHBondContact O-N 3.48Å; L121-S124 WeakPolarHBondContact CA-OG 2.87Å; L121-S124 PolarHBondContact O-OG 3.34Å; L121-Q125 VanDerWaalsContact O-CB 3.31Å; L121-Q125 WeakPolarHBondContact O-CB 3.47Å; L121-Q125 WeakPolarHBondContact O-CG 3.39Å; L121-Q125 PolarHBondContact O-N 3.12Å
122I90.7Very high84.3Confident1 Ų177 Ų771%0.00540%0.401CS..Hα-helixtrans-63.9-47.2176.4-58.9171.8000109.4L105 Q106 V109 P119 S120 Q125 L126L105-I122 HydrophobicContact CB-CG2 3.76Å; L105-I122 HydrophobicContact CD1-CG2 3.95Å; Q106-I122 HydrophobicContact CB-CD1 4.38Å; Q106-I122 HydrophobicContact CG-CD1 3.83Å; V109-I122 HydrophobicContact CB-CD1 4.02Å; V109-I122 HydrophobicContact CG1-CD1 4.33Å; V109-I122 HydrophobicContact CG2-CD1 3.88Å; V109-I122 HydrophobicContact CG2-CG1 4.47Å; P119-I122 WeakPolarHBondContact O-CB 3.35Å; P119-I122 PolarHBondContact O-N 3.07Å; P119-I122 VanDerWaalsContact O-N 3.09Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 2.73Å; I122-Q125 PolarHBondContact O-N 2.83Å; I122-L126 HydrophobicContact CG2-CD1 4.05Å; I122-L126 WeakPolarHBondContact O-CG 3.41Å; I122-L126 PolarHBondContact O-N 3.46Å
123E89.5Confident84.8Confident84 Ų8471.6 Ų71.639%0.39339%0.385SS..Hα-helixtrans-61.7-52.3179.1-176.3145.7-133.500111.5K102 S120 Q125 L126 E127K102-E123 IonicContact NZ-OE1 3.95Å; K102-E123 PolarHBondContact NZ-OE1 3.44Å; K102-E123 IonicContact NZ-OE2 3.54Å; K102-E123 PolarHBondContact NZ-OE2 2.98Å; S120-E123 PolarHBondContact O-N 2.99Å; E123-Q125 PolarHBondContact O-N 2.79Å; E123-L126 PolarHBondContact O-N 3.09Å; E123-L126 VanDerWaalsContact O-N 3.1Å; E123-E127 WeakPolarHBondContact O-CG 3.23Å; E123-E127 PolarHBondContact O-N 3.25Å
124S89.8Confident85.9Confident21 Ų2171.7 Ų71.715%0.14739%0.389CS..Hα-helixtrans-57.6-35.2177.169.70000113S120 L121 T128S120-S124 PolarHBondContact O-N 3.48Å; S120-S124 PolarHBondContact O-OG 3.47Å; L121-S124 WeakPolarHBondContact CA-OG 2.87Å; L121-S124 PolarHBondContact O-OG 3.34Å; S124-T128 VanDerWaalsContact O-CB 3.29Å; S124-T128 WeakPolarHBondContact O-CB 3.43Å; S124-T128 PolarHBondContact O-N 3.31Å; S124-T128 PolarHBondContact O-OG1 2.85Å
125Q92.8Very high87.2Confident22 Ų2273.4 Ų73.410%0.10338%0.38CS..Hα-helixtrans-75.8-34.5179-75.6-171.511.100112.9P3 L73 L121 I122 E123 E127 T128 L129P3-Q125 VanDerWaalsContact CA-OE1 3.24Å; P3-Q125 HydrophobicContact CB-CB 4.06Å; L73-Q125 HydrophobicContact CD1-CB 3.64Å; L73-Q125 HydrophobicContact CD1-CG 3.62Å; L121-Q125 VanDerWaalsContact O-CB 3.31Å; L121-Q125 WeakPolarHBondContact O-CB 3.47Å; L121-Q125 WeakPolarHBondContact O-CG 3.39Å; L121-Q125 PolarHBondContact O-N 3.12Å; I122-Q125 PolarHBondContact O-N 2.83Å; E123-Q125 PolarHBondContact O-N 2.79Å; Q125-E127 VanDerWaalsContact C-N 3.33Å; Q125-T128 PolarHBondContact O-N 2.89Å; Q125-L129 PolarHBondContact O-N 3.1Å; Q125-L129 VanDerWaalsContact O-N 3.14Å
126L93.4Very high88.6Confident54 Ų5468.6 Ų68.628%0.28336%0.357SS..Hα-helixtrans-64.7-40.7171.8-72.7169.9000110.8P3 K102 L105 I122 E123 L129P3-L126 HydrophobicContact CB-CD2 4.48Å; P3-L126 HydrophobicContact CG-CD2 4.07Å; K102-L126 HydrophobicContact CB-CD1 3.74Å; K102-L126 HydrophobicContact CG-CD1 3.94Å; L105-L126 HydrophobicContact CD1-CD1 4.23Å; L105-L126 HydrophobicContact CD1-CD2 3.89Å; L105-L126 HydrophobicContact CD1-CG 4.26Å; I122-L126 HydrophobicContact CG2-CD1 4.05Å; I122-L126 WeakPolarHBondContact O-CG 3.41Å; I122-L126 PolarHBondContact O-N 3.46Å; E123-L126 PolarHBondContact O-N 3.09Å; E123-L126 VanDerWaalsContact O-N 3.1Å; L126-L129 PolarHBondContact O-N 3Å
127E93Very high90Very high148 Ų14864.5 Ų64.569%0.69234%0.34SS*.Hα-helixtrans-68.2-33175-68.8171.6179.400112.9E123 Q125 L129E123-E127 WeakPolarHBondContact O-CG 3.23Å; E123-E127 PolarHBondContact O-N 3.25Å; Q125-E127 VanDerWaalsContact C-N 3.33Å; E127-L129 VanDerWaalsContact C-N 3.32Å
128T94.1Very high91.1Very high35 Ų3568.2 Ų68.222%0.21535%0.352CS..Hα-helixtrans-78.9-13.9178.8-56.40000113L73 K74 S124 Q125 E130L73-T128 HydrophobicContact CB-CG2 4.04Å; L73-T128 HydrophobicContact CD1-CG2 4.41Å; K74-T128 HydrophobicContact CD-CG2 4.37Å; K74-T128 HydrophobicContact CG-CG2 3.81Å; S124-T128 VanDerWaalsContact O-CB 3.29Å; S124-T128 WeakPolarHBondContact O-CB 3.43Å; S124-T128 PolarHBondContact O-N 3.31Å; S124-T128 PolarHBondContact O-OG1 2.85Å; Q125-T128 PolarHBondContact O-N 2.89Å; T128-E130 PolarHBondContact O-N 3.34Å
129L95.8Very high92Very high54 Ų5466 Ų6628%0.28334%0.343SS..  trans-70.6105.1-176.317961.1000110.7M1 L73 L97 Q125 L126 E127M1-L129 HydrophobicContact CE-CD1 3.63Å; L73-L129 HydrophobicContact CD2-CB 4.46Å; L73-L129 HydrophobicContact CD2-CD1 3.93Å; L97-L129 HydrophobicContact CD1-CD1 4.25Å; L97-L129 HydrophobicContact CD1-CD2 4.19Å; L97-L129 HydrophobicContact CD2-CD2 4.33Å; Q125-L129 PolarHBondContact O-N 3.1Å; Q125-L129 VanDerWaalsContact O-N 3.14Å; L126-L129 PolarHBondContact O-N 3Å; E127-L129 VanDerWaalsContact C-N 3.32Å
130E97Very high92.9Very high81 Ų8166.2 Ų66.238%0.37934%0.343SS..PPolyproline II helixtrans-87.2141175.6-67.3172.3-170.500110.9L73 K74 K75 R78 T128L73-E130 PolarHBondContact O-N 2.98Å; K74-E130 WeakPolarHBondContact CA-OE2 3.48Å; K74-E130 HydrophobicContact CG-CG 4.46Å; K74-E130 WeakPolarHBondContact CG-OE1 3.49Å; K75-E130 PolarHBondContact N-OE2 3.25Å; R78-E130 PolarHBondContact NH1-O 3.25Å; T128-E130 PolarHBondContact O-N 3.34Å
131S96.7Very high93.6Very high109 Ų10964 Ų6476%0.76233%0.327SS*.PPolyproline II helixtrans-54.2154.3171.6-60.40000112.2R78R78-S131 PolarHBondContact NH2-O 3.06Å
132F96.7Very high94.1Very high34 Ų3467 Ų6715%0.14934%0.343CS..PPolyproline II helixtrans-71.5143.1172.1-65.4-74.3000111.4M1 F95 L97 E136 Y138 V140M1-F132 HydrophobicContact CG-CZ 4.46Å; M1-F132 HydrophobicContact SD-CE1 3.67Å; M1-F132 HydrophobicContact SD-CZ 3.5Å; M1-F132 VanDerWaalsContact SD-CZ 3.5Å; F95-F132 HydrophobicContact CB-CE1 3.6Å; F95-F132 HydrophobicContact CB-CZ 4.1Å; F95-F132 HydrophobicContact CG-CE1 4.24Å; L97-F132 HydrophobicContact CB-CE2 3.83Å; L97-F132 HydrophobicContact CB-CZ 3.87Å; L97-F132 HydrophobicContact CD2-CE2 4Å; F132-E136 WeakPolarHBondContact CA-OE2 3.4Å; F132-E136 HydrophobicContact CD1-CB 4.37Å; F132-Y138 HydrophobicContact CB-CD1 3.39Å; F132-Y138 HydrophobicContact CB-CD2 4.36Å; F132-Y138 HydrophobicContact CB-CE1 3.46Å; F132-Y138 VanDerWaalsContact CB-CE1 3.46Å; F132-Y138 HydrophobicContact CB-CE2 4.41Å; F132-Y138 HydrophobicContact CB-CG 3.88Å; F132-Y138 HydrophobicContact CD1-CD1 4.06Å; F132-Y138 AromaticContact CD1-CG 3.92Å; F132-Y138 HydrophobicContact CD1-CG 3.92Å; F132-Y138 AromaticContact CD2-CD1 3.95Å; F132-Y138 HydrophobicContact CD2-CD1 3.95Å; F132-Y138 AromaticContact CD2-CD2 3.41Å; F132-Y138 HydrophobicContact CD2-CD2 3.41Å; F132-Y138 VanDerWaalsContact CD2-CD2 3.41Å; F132-Y138 HydrophobicContact CD2-CE1 4.34Å; F132-Y138 AromaticContact CD2-CE2 3.84Å; F132-Y138 HydrophobicContact CD2-CE2 3.84Å; F132-Y138 AromaticContact CD2-CG 3.48Å; F132-Y138 HydrophobicContact CD2-CG 3.48Å; F132-Y138 VanDerWaalsContact CD2-CG 3.48Å; F132-Y138 HydrophobicContact CE1-CG 4.31Å; F132-Y138 AromaticContact CE2-CD2 3.77Å; F132-Y138 HydrophobicContact CE2-CD2 3.77Å; F132-Y138 AromaticContact CE2-CG 3.91Å; F132-Y138 HydrophobicContact CE2-CG 3.91Å; F132-Y138 AromaticContact CG-CD1 3.54Å; F132-Y138 HydrophobicContact CG-CD1 3.54Å; F132-Y138 AromaticContact CG-CD2 3.91Å; F132-Y138 HydrophobicContact CG-CD2 3.91Å; F132-Y138 HydrophobicContact CG-CE1 4.04Å; F132-Y138 HydrophobicContact CG-CE2 4.36Å; F132-Y138 AromaticContact CG-CG 3.48Å; F132-Y138 HydrophobicContact CG-CG 3.48Å; F132-Y138 VanDerWaalsContact CG-CG 3.48Å; F132-Y138 HydrophobicContact CZ-CG 4.29Å; F132-V140 HydrophobicContact CE2-CG2 4.14Å
133G93.2Very high94.3Very high16 Ų1667 Ų6717%0.16534%0.343CS..PPolyproline II helixtrans-79.8165.6167.400000112.4D135 E136G133-D135 PolarHBondContact O-N 3.16Å; G133-E136 PolarHBondContact N-OE2 3.05Å; G133-E136 PolarHBondContact O-N 2.97Å
134E91.8Very high94.6Very high207 Ų20766.2 Ų66.297%0.96735%0.346SS*.THydrogen-bonded Turntrans-67.1-23.5179.9-60.8-177.4167.900113.4E136E134-E136 VanDerWaalsContact C-N 3.31Å
135D90Very high94.9Very high114 Ų11468.2 Ų68.261%0.6136%0.356SS*.THydrogen-bonded Turntrans-80.1-8.8177.853.3-34.6000113.5K75 G133K75-D135 VanDerWaalsContact NZ-CG 3.31Å; K75-D135 IonicContact NZ-OD1 2.72Å; K75-D135 PolarHBondContact NZ-OD1 3.32Å; K75-D135 IonicContact NZ-OD2 2.89Å; K75-D135 PolarHBondContact NZ-OD2 2.95Å; K75-D135 VanDerWaalsContact NZ-OD2 3.11Å; G133-D135 PolarHBondContact O-N 3.16Å
136E93.1Very high95.1Very high19 Ų1969.9 Ų69.99%0.08937%0.37CS..  trans-96.3129.6-174.2-56.1-171.977.400111.4R78 F132 G133 E134 Y138R78-E136 WeakPolarHBondContact CB-OE1 3.39Å; R78-E136 WeakPolarHBondContact CD-OE1 3.43Å; R78-E136 IonicContact CZ-OE1 3.46Å; R78-E136 IonicContact CZ-OE2 3.63Å; R78-E136 IonicContact NE-OE1 3.02Å; R78-E136 PolarHBondContact NE-OE1 3.36Å; R78-E136 IonicContact NE-OE2 3.53Å; R78-E136 PolarHBondContact NE-OE2 3.48Å; R78-E136 IonicContact NH2-OE1 2.67Å; R78-E136 IonicContact NH2-OE2 3.54Å; R78-E136 PolarHBondContact NH2-OE2 3.14Å; F132-E136 WeakPolarHBondContact CA-OE2 3.4Å; F132-E136 HydrophobicContact CD1-CB 4.37Å; G133-E136 PolarHBondContact N-OE2 3.05Å; G133-E136 PolarHBondContact O-N 2.97Å; E134-E136 VanDerWaalsContact C-N 3.31Å; E136-Y138 HydrophobicContact CB-CD1 4.38Å; E136-Y138 VanDerWaalsContact O-CD1 3.26Å; E136-Y138 WeakPolarHBondContact O-CD1 3.44Å; E136-Y138 PolarHBondContact O-N 3.03Å
137K93.4Very high95.3Very high105 Ų10570.5 Ų70.546%0.45737%0.373SS..  trans-82.1114.4166.1-165.3178-179.1176.90108.4L94 F95L94-K137 WeakPolarHBondContact CA-O 3.35Å; L94-K137 HydrophobicContact CD1-CD 4.42Å; L94-K137 HydrophobicContact CD1-CG 3.9Å; F95-K137 PolarHBondContact N-O 3.11Å
138Y95.8Very high95.5Very high116 Ų11667.1 Ų67.146%0.45536%0.363SS..EExtended strand (participates in β ladder)trans-138.4163.4-17868.3-91.3000113.3F95 F132 E136 V140F95-Y138 CarbonylContact O-C 3.46Å; F95-Y138 WeakPolarHBondContact O-CA 3.32Å; F95-Y138 WeakPolarHBondContact O-CB 3.29Å; F132-Y138 HydrophobicContact CB-CD1 3.39Å; F132-Y138 HydrophobicContact CB-CD2 4.36Å; F132-Y138 HydrophobicContact CB-CE1 3.46Å; F132-Y138 VanDerWaalsContact CB-CE1 3.46Å; F132-Y138 HydrophobicContact CB-CE2 4.41Å; F132-Y138 HydrophobicContact CB-CG 3.88Å; F132-Y138 HydrophobicContact CD1-CD1 4.06Å; F132-Y138 AromaticContact CD1-CG 3.92Å; F132-Y138 HydrophobicContact CD1-CG 3.92Å; F132-Y138 AromaticContact CD2-CD1 3.95Å; F132-Y138 HydrophobicContact CD2-CD1 3.95Å; F132-Y138 AromaticContact CD2-CD2 3.41Å; F132-Y138 HydrophobicContact CD2-CD2 3.41Å; F132-Y138 VanDerWaalsContact CD2-CD2 3.41Å; F132-Y138 HydrophobicContact CD2-CE1 4.34Å; F132-Y138 AromaticContact CD2-CE2 3.84Å; F132-Y138 HydrophobicContact CD2-CE2 3.84Å; F132-Y138 AromaticContact CD2-CG 3.48Å; F132-Y138 HydrophobicContact CD2-CG 3.48Å; F132-Y138 VanDerWaalsContact CD2-CG 3.48Å; F132-Y138 HydrophobicContact CE1-CG 4.31Å; F132-Y138 AromaticContact CE2-CD2 3.77Å; F132-Y138 HydrophobicContact CE2-CD2 3.77Å; F132-Y138 AromaticContact CE2-CG 3.91Å; F132-Y138 HydrophobicContact CE2-CG 3.91Å; F132-Y138 AromaticContact CG-CD1 3.54Å; F132-Y138 HydrophobicContact CG-CD1 3.54Å; F132-Y138 AromaticContact CG-CD2 3.91Å; F132-Y138 HydrophobicContact CG-CD2 3.91Å; F132-Y138 HydrophobicContact CG-CE1 4.04Å; F132-Y138 HydrophobicContact CG-CE2 4.36Å; F132-Y138 AromaticContact CG-CG 3.48Å; F132-Y138 HydrophobicContact CG-CG 3.48Å; F132-Y138 VanDerWaalsContact CG-CG 3.48Å; F132-Y138 HydrophobicContact CZ-CG 4.29Å; E136-Y138 HydrophobicContact CB-CD1 4.38Å; E136-Y138 VanDerWaalsContact O-CD1 3.26Å; E136-Y138 WeakPolarHBondContact O-CD1 3.44Å; E136-Y138 PolarHBondContact O-N 3.03Å; Y138-V140 HydrophobicContact CD2-CG2 3.96Å; Y138-V140 HydrophobicContact CE2-CG2 4.1Å
139L96.7Very high95.6Very high36 Ų3669.4 Ų69.419%0.18837%0.373CS..EExtended strand (participates in β ladder)trans-138.2129.1171.5179.365.2000108.4L94 F95 V96 L97 I141 I154L94-L139 HydrophobicContact CD1-CB 4.41Å; F95-L139 PolarHBondContact O-N 3.43Å; V96-L139 CarbonylContact C-O 3.48Å; V96-L139 WeakPolarHBondContact CA-O 3.21Å; L97-L139 PolarHBondContact N-O 2.7Å; L139-I141 HydrophobicContact CD2-CD1 3.66Å; L139-I141 HydrophobicContact CD2-CG1 3.92Å; L139-I141 HydrophobicContact CG-CD1 4.14Å; L139-I141 HydrophobicContact CG-CG1 3.82Å; L139-I154 HydrophobicContact CD2-CG1 4.33Å
140V97.2Very high95.7Very high73 Ų7367.1 Ų67.144%0.44236%0.361SS..EExtended strand (participates in β ladder)trans-103.6124.8174.4-173.80000108.6L97 F132 Y138L97-V140 HydrophobicContact CB-CG1 4.47Å; L97-V140 HydrophobicContact CB-CG2 4.3Å; L97-V140 HydrophobicContact CD2-CG1 4.13Å; L97-V140 HydrophobicContact CD2-CG2 4.23Å; L97-V140 HydrophobicContact CG-CG1 4.3Å; F132-V140 HydrophobicContact CE2-CG2 4.14Å; Y138-V140 HydrophobicContact CD2-CG2 3.96Å; Y138-V140 HydrophobicContact CE2-CG2 4.1Å
141I97.9Very high95.7Very high2 Ų263.2 Ų63.21%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-125.9133.4179.4-53179.5000108.9V96 L97 L98 S99 L139 A143 I150 Q153 I154V96-I141 HydrophobicContact CG1-CD1 3.9Å; V96-I141 HydrophobicContact CG1-CG1 4.29Å; L97-I141 PolarHBondContact O-N 3.15Å; L98-I141 WeakPolarHBondContact CA-O 3.3Å; L98-I141 HydrophobicContact CD2-CB 4.37Å; S99-I141 PolarHBondContact N-O 3.44Å; L139-I141 HydrophobicContact CD2-CD1 3.66Å; L139-I141 HydrophobicContact CD2-CG1 3.92Å; L139-I141 HydrophobicContact CG-CD1 4.14Å; L139-I141 HydrophobicContact CG-CG1 3.82Å; I141-A143 PolarHBondContact O-N 2.87Å; I141-I150 HydrophobicContact CD1-CG2 4.19Å; I141-I150 HydrophobicContact CG2-CB 4.33Å; I141-I150 HydrophobicContact CG2-CG1 3.89Å; I141-I150 HydrophobicContact CG2-CG2 4.15Å; I141-Q153 HydrophobicContact CD1-CB 3.99Å; I141-I154 HydrophobicContact CD1-CD1 4.1Å; I141-I154 HydrophobicContact CD1-CG1 3.42Å; I141-I154 VanDerWaalsContact CD1-CG1 3.42Å
142D97Very high95.7Very high77 Ų7762 Ų6241%0.41233%0.325SS..EExtended strand (participates in β ladder)trans-66.7117.3169.7-176.3-1.8000110.1S144 N145D142-S144 PolarHBondContact O-N 3.34Å; D142-S144 VanDerWaalsContact OD1-CB 3.23Å; D142-S144 WeakPolarHBondContact OD1-CB 3.41Å; D142-S144 PolarHBondContact OD1-N 3.46Å; D142-S144 PolarHBondContact OD1-OG 2.75Å; D142-S144 VanDerWaalsContact OD1-OG 3.07Å; D142-S144 PolarHBondContact OD2-OG 3.35Å; D142-N145 WeakPolarHBondContact O-CB 3.26Å; D142-N145 PolarHBondContact O-N 3.05Å; D142-N145 PolarHBondContact O-ND2 2.75Å
143A96.5Very high95.7Very high1 Ų163.8 Ų63.81%0.00833%0.334CS..THydrogen-bonded Turntrans-74.3-2.6-179.800000113.2C6 L98 S99 A100 R108 I141 N145C6-A143 WeakPolarHBondContact O-CB 3.26Å; L98-A143 HydrophobicContact CB-CB 4.07Å; S99-A143 VanDerWaalsContact O-CB 3.29Å; S99-A143 WeakPolarHBondContact O-CB 3.31Å; S99-A143 PolarHBondContact O-N 2.75Å; A100-A143 HydrophobicContact CB-CB 4.2Å; R108-A143 VanDerWaalsContact CZ-O 3.32Å; R108-A143 PolarHBondContact NH1-O 3.21Å; R108-A143 PolarHBondContact NH2-O 2.83Å; I141-A143 PolarHBondContact O-N 2.87Å; A143-N145 VanDerWaalsContact C-N 3.3Å
144S95.1Very high95.8Very high66 Ų6663.3 Ų63.346%0.46233%0.328SS..THydrogen-bonded Turntrans-73.6-22.2169.981.80000112.9D142D142-S144 PolarHBondContact O-N 3.34Å; D142-S144 VanDerWaalsContact OD1-CB 3.23Å; D142-S144 WeakPolarHBondContact OD1-CB 3.41Å; D142-S144 PolarHBondContact OD1-N 3.46Å; D142-S144 PolarHBondContact OD1-OG 2.75Å; D142-S144 VanDerWaalsContact OD1-OG 3.07Å; D142-S144 PolarHBondContact OD2-OG 3.35Å
145N96.5Very high96Very high64 Ų6455 Ų5534%0.34229%0.289SS..SBendtrans-63.3163.5176.8-70.6-36.6000112.6D142 A143 D149 I150D142-N145 WeakPolarHBondContact O-CB 3.26Å; D142-N145 PolarHBondContact O-N 3.05Å; D142-N145 PolarHBondContact O-ND2 2.75Å; A143-N145 VanDerWaalsContact C-N 3.3Å; N145-D149 HydrophobicContact CB-CB 4.43Å; N145-I150 HydrophobicContact CB-CD1 4.24Å; N145-I150 HydrophobicContact CB-CG1 3.8Å; N145-I150 WeakPolarHBondContact O-CD1 3.3Å
146S96.6Very high96.2Very high57 Ų5754 Ų5440%0.39928%0.284SS..  trans-64.9151.4175.884.80000111.2T148 D149 I150S146-T148 PolarHBondContact O-N 3.11Å; S146-D149 WeakPolarHBondContact CB-OD2 3.44Å; S146-D149 PolarHBondContact O-N 3.14Å; S146-D149 VanDerWaalsContact O-N 3.12Å; S146-D149 PolarHBondContact OG-N 3.35Å; S146-D149 VanDerWaalsContact OG-N 3.12Å; S146-D149 PolarHBondContact OG-OD2 2.67Å; S146-I150 WeakPolarHBondContact O-CG1 3.37Å; S146-I150 PolarHBondContact O-N 3.02Å
147L97.1Very high96.1Very high67 Ų6754.6 Ų54.635%0.35129%0.289SS..Hα-helixtrans-55.6-37.8176.6178.260.6000111.9T10 V11 T151T10-L147 HydrophobicContact CG2-CD1 4.12Å; T10-L147 HydrophobicContact CG2-CD2 3.95Å; V11-L147 HydrophobicContact CB-CD1 4.39Å; V11-L147 HydrophobicContact CG2-CD1 3.86Å; L147-T151 HydrophobicContact CD1-CG2 4.07Å; L147-T151 WeakPolarHBondContact O-CB 3.44Å; L147-T151 WeakPolarHBondContact O-CG2 3.4Å; L147-T151 PolarHBondContact O-N 2.67Å; L147-T151 PolarHBondContact O-OG1 3.49Å
148T96.7Very high95.8Very high77 Ų7752.8 Ų52.847%0.47228%0.284SS..Hα-helixtrans-65.6-44.3178-62.90000111.6S146 T151 Q152S146-T148 PolarHBondContact O-N 3.11Å; T148-T151 PolarHBondContact O-N 3.23Å; T148-T151 PolarHBondContact O-OG1 2.75Å; T148-T151 VanDerWaalsContact O-OG1 3.06Å; T148-Q152 VanDerWaalsContact O-CB 3.3Å; T148-Q152 WeakPolarHBondContact O-CB 3.5Å; T148-Q152 PolarHBondContact O-N 3.34Å
149D97.2Very high94.8Very high82 Ų8252.1 Ų52.144%0.43930%0.297SS..Hα-helixtrans-67.1-43.6179.7-59.8-38.8000111.4N145 S146 Q152 Q153N145-D149 HydrophobicContact CB-CB 4.43Å; S146-D149 WeakPolarHBondContact CB-OD2 3.44Å; S146-D149 PolarHBondContact O-N 3.14Å; S146-D149 VanDerWaalsContact O-N 3.12Å; S146-D149 PolarHBondContact OG-N 3.35Å; S146-D149 VanDerWaalsContact OG-N 3.12Å; S146-D149 PolarHBondContact OG-OD2 2.67Å; D149-Q152 PolarHBondContact O-N 3.39Å; D149-Q153 WeakPolarHBondContact O-CG 3.42Å; D149-Q153 PolarHBondContact O-N 2.74Å
150I97.8Very high92.8Very high6 Ų657.2 Ų57.23%0.03133%0.329CS..Hα-helixtrans-59.1-51.5177.4-66169.9000109.9V11 L98 I141 N145 S146 Q152 Q153 I154V11-I150 HydrophobicContact CG1-CG2 3.76Å; V11-I150 HydrophobicContact CG2-CG2 3.89Å; L98-I150 HydrophobicContact CD2-CG2 3.78Å; I141-I150 HydrophobicContact CD1-CG2 4.19Å; I141-I150 HydrophobicContact CG2-CB 4.33Å; I141-I150 HydrophobicContact CG2-CG1 3.89Å; I141-I150 HydrophobicContact CG2-CG2 4.15Å; N145-I150 HydrophobicContact CB-CD1 4.24Å; N145-I150 HydrophobicContact CB-CG1 3.8Å; N145-I150 WeakPolarHBondContact O-CD1 3.3Å; S146-I150 WeakPolarHBondContact O-CG1 3.37Å; S146-I150 PolarHBondContact O-N 3.02Å; I150-Q152 VanDerWaalsContact C-N 3.33Å; I150-Q152 PolarHBondContact O-N 3.23Å; I150-Q153 PolarHBondContact O-N 2.68Å; I150-I154 HydrophobicContact CG2-CD1 4.14Å; I150-I154 WeakPolarHBondContact O-CG1 3.34Å; I150-I154 PolarHBondContact O-N 3.11Å
151T96.8Very high92.6Very high0 Ų056.4 Ų56.40%032%0.323CS..Hα-helixtrans-65.3-36.2-178.8490000112.2V11 L15 R18 L147 T148 I154 M155V11-T151 HydrophobicContact CG1-CG2 4.31Å; L15-T151 HydrophobicContact CB-CG2 4.41Å; R18-T151 PolarHBondContact NH1-OG1 3.2Å; L147-T151 HydrophobicContact CD1-CG2 4.07Å; L147-T151 WeakPolarHBondContact O-CB 3.44Å; L147-T151 WeakPolarHBondContact O-CG2 3.4Å; L147-T151 PolarHBondContact O-N 2.67Å; L147-T151 PolarHBondContact O-OG1 3.49Å; T148-T151 PolarHBondContact O-N 3.23Å; T148-T151 PolarHBondContact O-OG1 2.75Å; T148-T151 VanDerWaalsContact O-OG1 3.06Å; T151-I154 PolarHBondContact O-N 3.3Å; T151-M155 WeakPolarHBondContact O-CG 3.45Å; T151-M155 PolarHBondContact O-N 2.85Å
152Q96.2Very high92.3Very high82 Ų8259.3 Ų59.338%0.38334%0.34SS..Hα-helixtrans-65.2-42.6175.8-170.16150.800112.4T148 D149 I150 I154 M155 N156T148-Q152 VanDerWaalsContact O-CB 3.3Å; T148-Q152 WeakPolarHBondContact O-CB 3.5Å; T148-Q152 PolarHBondContact O-N 3.34Å; D149-Q152 PolarHBondContact O-N 3.39Å; I150-Q152 VanDerWaalsContact C-N 3.33Å; I150-Q152 PolarHBondContact O-N 3.23Å; Q152-I154 VanDerWaalsContact C-N 3.31Å; Q152-I154 PolarHBondContact O-N 3.1Å; Q152-M155 PolarHBondContact O-N 2.96Å; Q152-N156 PolarHBondContact NE2-OD1 3.38Å; Q152-N156 VanDerWaalsContact O-CG 3.22Å; Q152-N156 PolarHBondContact O-N 2.92Å; Q152-N156 PolarHBondContact O-OD1 3.39Å
153Q96.6Very high92.1Very high73 Ų7358.3 Ų58.334%0.34134%0.336SS..Hα-helixtrans-58.8-43.9175.8-74.6175.851.700111.5I141 D149 I150 N156 T157I141-Q153 HydrophobicContact CD1-CB 3.99Å; D149-Q153 WeakPolarHBondContact O-CG 3.42Å; D149-Q153 PolarHBondContact O-N 2.74Å; I150-Q153 PolarHBondContact O-N 2.68Å; Q153-N156 PolarHBondContact O-N 3.42Å; Q153-T157 PolarHBondContact O-N 2.95Å; Q153-T157 PolarHBondContact O-OG1 3.35Å
154I96.7Very high91.8Very high5 Ų561.6 Ų61.63%0.02636%0.355CS..Hα-helixtrans-63-45.7177.5-58165.3000110.9V11 L15 V96 L139 I141 I150 T151 Q152 N156 T157 L158V11-I154 HydrophobicContact CG1-CD1 3.68Å; L15-I154 HydrophobicContact CD1-CB 4.46Å; L15-I154 HydrophobicContact CD1-CG2 4.36Å; L15-I154 HydrophobicContact CD2-CB 4.21Å; L15-I154 HydrophobicContact CD2-CD1 4.24Å; L15-I154 HydrophobicContact CD2-CG2 3.51Å; V96-I154 HydrophobicContact CG1-CD1 3.88Å; V96-I154 HydrophobicContact CG1-CG1 3.94Å; V96-I154 HydrophobicContact CG2-CD1 4.42Å; V96-I154 HydrophobicContact CG2-CG1 4.2Å; V96-I154 HydrophobicContact CG2-CG2 4.08Å; L139-I154 HydrophobicContact CD2-CG1 4.33Å; I141-I154 HydrophobicContact CD1-CD1 4.1Å; I141-I154 HydrophobicContact CD1-CG1 3.42Å; I141-I154 VanDerWaalsContact CD1-CG1 3.42Å; I150-I154 HydrophobicContact CG2-CD1 4.14Å; I150-I154 WeakPolarHBondContact O-CG1 3.34Å; I150-I154 PolarHBondContact O-N 3.11Å; T151-I154 PolarHBondContact O-N 3.3Å; Q152-I154 VanDerWaalsContact C-N 3.31Å; Q152-I154 PolarHBondContact O-N 3.1Å; I154-N156 VanDerWaalsContact C-N 3.3Å; I154-N156 PolarHBondContact O-N 3.14Å; I154-T157 PolarHBondContact O-N 3.06Å; I154-T157 VanDerWaalsContact O-N 3.16Å; I154-L158 HydrophobicContact CG2-CD1 4.19Å; I154-L158 HydrophobicContact CG2-CG 4.41Å; I154-L158 WeakPolarHBondContact O-CG 3.29Å; I154-L158 PolarHBondContact O-N 2.88Å
155M94.7Very high91.6Very high33 Ų3361.4 Ų61.416%0.16335%0.349CS..Hα-helixtrans-61.6-37.4179.7-71.2-173-56.500112.6L15 R18 I19 T151 Q152 T157 L158 S159L15-M155 HydrophobicContact CD1-CG 3.53Å; L15-M155 HydrophobicContact CD1-SD 4.34Å; R18-M155 HydrophobicContact CB-SD 4.03Å; I19-M155 HydrophobicContact CG2-CG 4.03Å; I19-M155 HydrophobicContact CG2-SD 3.99Å; T151-M155 WeakPolarHBondContact O-CG 3.45Å; T151-M155 PolarHBondContact O-N 2.85Å; Q152-M155 PolarHBondContact O-N 2.96Å; M155-T157 VanDerWaalsContact C-N 3.3Å; M155-T157 PolarHBondContact O-N 3.17Å; M155-L158 PolarHBondContact O-N 2.97Å; M155-S159 PolarHBondContact O-N 3.32Å; M155-S159 VanDerWaalsContact O-N 3.15Å; M155-S159 PolarHBondContact O-OG 2.66Å
156N94.2Very high91.3Very high92 Ų9261.2 Ų61.249%0.49235%0.349SS..Hα-helixtrans-62-39.6176.3-67.2-6.2000111.4Q152 Q153 I154 S159Q152-N156 PolarHBondContact NE2-OD1 3.38Å; Q152-N156 VanDerWaalsContact O-CG 3.22Å; Q152-N156 PolarHBondContact O-N 2.92Å; Q152-N156 PolarHBondContact O-OD1 3.39Å; Q153-N156 PolarHBondContact O-N 3.42Å; I154-N156 VanDerWaalsContact C-N 3.3Å; I154-N156 PolarHBondContact O-N 3.14Å; N156-S159 PolarHBondContact O-N 2.64Å
157T91.8Very high90.9Very high33 Ų3361.5 Ų61.520%0.20235%0.345CS..Hα-helixtrans-72.6-27.8176.6-55.10000113.5L94 Q153 I154 M155 S159 T160L94-T157 HydrophobicContact CD1-CG2 4.27Å; L94-T157 HydrophobicContact CD2-CG2 3.93Å; Q153-T157 PolarHBondContact O-N 2.95Å; Q153-T157 PolarHBondContact O-OG1 3.35Å; I154-T157 PolarHBondContact O-N 3.06Å; I154-T157 VanDerWaalsContact O-N 3.16Å; M155-T157 VanDerWaalsContact C-N 3.3Å; M155-T157 PolarHBondContact O-N 3.17Å; T157-S159 VanDerWaalsContact C-N 3.3Å; T157-T160 PolarHBondContact O-OG1 2.89Å
158L87.4Confident90.4Very high66 Ų6661.1 Ų61.135%0.34635%0.345SS..Hα-helixtrans-75-22.4174.4-69.9175.1000112.7I19 W21 L94 I154 M155 T160I19-L158 HydrophobicContact CD1-CD1 3.93Å; W21-L158 HydrophobicContact CH2-CD1 4.44Å; W21-L158 HydrophobicContact CH2-CD2 4.43Å; W21-L158 HydrophobicContact CZ3-CD1 4.43Å; L94-L158 HydrophobicContact CD2-CD2 3.88Å; L94-L158 HydrophobicContact CD2-CG 4.43Å; I154-L158 HydrophobicContact CG2-CD1 4.19Å; I154-L158 HydrophobicContact CG2-CG 4.41Å; I154-L158 WeakPolarHBondContact O-CG 3.29Å; I154-L158 PolarHBondContact O-N 2.88Å; M155-L158 PolarHBondContact O-N 2.97Å; L158-T160 VanDerWaalsContact C-N 3.3Å
159S74.9Confident89.9Confident103 Ų10359.8 Ų59.872%0.7233%0.334SS*.THydrogen-bonded Turntrans-84.7-3.2-178.7-53.20000113.6M155 N156 T157M155-S159 PolarHBondContact O-N 3.32Å; M155-S159 VanDerWaalsContact O-N 3.15Å; M155-S159 PolarHBondContact O-OG 2.66Å; N156-S159 PolarHBondContact O-N 2.64Å; T157-S159 VanDerWaalsContact C-N 3.3Å
160T54.7Low89.2Confident142 Ų14257.7 Ų57.787%0.87133%0.325SS*.  trans-111.50-179.9570000111.9T157 L158T157-T160 PolarHBondContact O-OG1 2.89Å; L158-T160 VanDerWaalsContact C-N 3.3Å

Retrieved 160 of 160 residues in 99.2 ms (Link to these results)

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