A0A087Y3V9_POEFO Loading...

B-cell translocation gene 4

AlphaFold DB , UniProt , Accession A0A087Y3V9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.6Confident92Very high53 Ų5354.5 Ų54.526%0.26127%0.271SS..  0-55.80-167.1-174.9-174.400113E4 I5 F39 Y42 W46M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 VanDerWaalsContact N-CD 3.3Å; M1-E4 PolarHBondContact N-OE1 3.21Å; M1-E4 PolarHBondContact N-OE2 3.34Å; M1-I5 HydrophobicContact CE-CD1 3.84Å; M1-I5 HydrophobicContact CG-CD1 3.81Å; M1-I5 WeakPolarHBondContact O-CB 3.34Å; M1-I5 VanDerWaalsContact O-CG1 3.31Å; M1-I5 WeakPolarHBondContact O-CG1 3.4Å; M1-I5 PolarHBondContact O-N 3.05Å; M1-I5 VanDerWaalsContact O-N 3.08Å; M1-F39 HydrophobicContact CE-CD1 3.87Å; M1-F39 HydrophobicContact CE-CE1 4.45Å; M1-F39 HydrophobicContact CG-CE1 4.28Å; M1-F39 HydrophobicContact SD-CD1 4.18Å; M1-F39 HydrophobicContact SD-CE1 4.3Å; M1-Y42 VanDerWaalsContact CE-CB 3.4Å; M1-W46 HydrophobicContact CB-CD2 3.95Å; M1-W46 HydrophobicContact CB-CG 4.3Å; M1-W46 HydrophobicContact CB-CH2 4.49Å; M1-W46 HydrophobicContact CB-CZ2 3.82Å; M1-W46 HydrophobicContact CG-CD2 3.72Å; M1-W46 HydrophobicContact CG-CE3 3.98Å; M1-W46 HydrophobicContact CG-CG 4.13Å; M1-W46 HydrophobicContact CG-CH2 4.44Å; M1-W46 HydrophobicContact CG-CZ2 4.18Å; M1-W46 HydrophobicContact CG-CZ3 4.34Å; M1-W46 HydrophobicContact SD-CB 4.47Å; M1-W46 HydrophobicContact SD-CD2 4.39Å; M1-W46 HydrophobicContact SD-CG 4.24Å
2K89.5Confident92.1Very high152 Ų15250.2 Ų50.266%0.66125%0.25SC*.Hα-helixtrans-65.7-45.6-172.4-61.6-173.7175.6178.80112.7E4 I5 A6 F39K2-E4 PolarHBondContact O-N 3.05Å; K2-I5 PolarHBondContact O-N 2.99Å; K2-A6 WeakPolarHBondContact O-CB 3.34Å; K2-A6 PolarHBondContact O-N 3.32Å; K2-F39 HydrophobicContact CB-CE1 4.36Å; K2-F39 HydrophobicContact CB-CZ 3.98Å; K2-F39 HydrophobicContact CG-CE1 3.75Å; K2-F39 HydrophobicContact CG-CZ 3.7Å
3E90.6Very high92.1Very high127 Ų12747.7 Ų47.759%0.59324%0.239SC*.Hα-helixtrans-64-39.9-179.8-59.1-51.3138.800112.3A6 A7 L118E3-A6 PolarHBondContact O-N 3.13Å; E3-A7 WeakPolarHBondContact O-CB 2.87Å; E3-A7 PolarHBondContact O-N 3.28Å; E3-L118 HydrophobicContact CB-CD2 3.63Å; E3-L118 HydrophobicContact CG-CD2 4.16Å
4E92.1Very high92.1Very high15 Ų1554.1 Ų54.17%0.0726%0.259CS..Hα-helixtrans-70.8-40.7-179.9-56.793.2138.400110.9M1 K2 A7 A8 W46 V96 G99 V101 L118M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 VanDerWaalsContact N-CD 3.3Å; M1-E4 PolarHBondContact N-OE1 3.21Å; M1-E4 PolarHBondContact N-OE2 3.34Å; K2-E4 PolarHBondContact O-N 3.05Å; E4-A7 PolarHBondContact O-N 3.46Å; E4-A8 WeakPolarHBondContact O-CB 3.25Å; E4-A8 PolarHBondContact O-N 3.28Å; E4-W46 HydrophobicContact CB-CH2 4.06Å; E4-W46 HydrophobicContact CG-CH2 4.38Å; E4-V96 HydrophobicContact CB-CG1 4.17Å; E4-G99 PolarHBondContact OE1-N 2.96Å; E4-V101 HydrophobicContact CB-CG2 3.78Å; E4-V101 HydrophobicContact CG-CG2 4.41Å; E4-V101 WeakPolarHBondContact O-CG2 3.46Å; E4-L118 HydrophobicContact CG-CD2 4.28Å
5I93.1Very high92Very high0 Ų051.2 Ų51.20%025%0.245CC..Hα-helixtrans-63.2-45.8171.7-70.4172.4000110.1M1 K2 A7 A8 V9 T35 L38 F39 Y42 V96M1-I5 HydrophobicContact CE-CD1 3.84Å; M1-I5 HydrophobicContact CG-CD1 3.81Å; M1-I5 WeakPolarHBondContact O-CB 3.34Å; M1-I5 VanDerWaalsContact O-CG1 3.31Å; M1-I5 WeakPolarHBondContact O-CG1 3.4Å; M1-I5 PolarHBondContact O-N 3.05Å; M1-I5 VanDerWaalsContact O-N 3.08Å; K2-I5 PolarHBondContact O-N 2.99Å; I5-A7 VanDerWaalsContact C-N 3.33Å; I5-A7 PolarHBondContact O-N 3.13Å; I5-A8 PolarHBondContact O-N 3.4Å; I5-V9 HydrophobicContact CG2-CG2 4.16Å; I5-V9 WeakPolarHBondContact O-CB 3.3Å; I5-V9 VanDerWaalsContact O-CG2 3.24Å; I5-V9 WeakPolarHBondContact O-CG2 3.38Å; I5-V9 PolarHBondContact O-N 3.18Å; I5-T35 HydrophobicContact CG2-CG2 4.25Å; I5-L38 HydrophobicContact CD1-CB 4.3Å; I5-L38 HydrophobicContact CG1-CB 4.4Å; I5-L38 HydrophobicContact CG2-CB 4Å; I5-L38 HydrophobicContact CG2-CD1 4Å; I5-F39 HydrophobicContact CB-CZ 4.4Å; I5-F39 HydrophobicContact CD1-CD1 3.63Å; I5-F39 HydrophobicContact CD1-CD2 4.36Å; I5-F39 HydrophobicContact CD1-CE1 3.64Å; I5-F39 HydrophobicContact CD1-CE2 4.38Å; I5-F39 HydrophobicContact CD1-CG 3.99Å; I5-F39 HydrophobicContact CD1-CZ 4.03Å; I5-F39 HydrophobicContact CG2-CD2 4.38Å; I5-F39 HydrophobicContact CG2-CE2 4.06Å; I5-F39 HydrophobicContact CG2-CZ 4.38Å; I5-Y42 HydrophobicContact CD1-CD2 4.06Å; I5-Y42 HydrophobicContact CG1-CD2 4.19Å; I5-Y42 HydrophobicContact CG1-CE2 4.43Å; I5-V96 HydrophobicContact CG1-CG1 4.39Å
6A93.1Very high92Very high50 Ų5048.1 Ų48.141%0.41323%0.231SC..Hα-helixtrans-59.4-43.8177.700000111.6K2 E3 V9 F10K2-A6 WeakPolarHBondContact O-CB 3.34Å; K2-A6 PolarHBondContact O-N 3.32Å; E3-A6 PolarHBondContact O-N 3.13Å; A6-V9 PolarHBondContact O-N 3.22Å; A6-F10 WeakPolarHBondContact O-CB 3.4Å; A6-F10 PolarHBondContact O-N 3.12Å
7A92.4Very high92Very high20 Ų2052.2 Ų52.217%0.16525%0.247CC..Hα-helixtrans-62.3-43.1175.500000112.2E3 E4 I5 F10 F11 V101E3-A7 WeakPolarHBondContact O-CB 2.87Å; E3-A7 PolarHBondContact O-N 3.28Å; E4-A7 PolarHBondContact O-N 3.46Å; I5-A7 VanDerWaalsContact C-N 3.33Å; I5-A7 PolarHBondContact O-N 3.13Å; A7-F10 PolarHBondContact O-N 3.36Å; A7-F11 VanDerWaalsContact O-CB 3.31Å; A7-F11 WeakPolarHBondContact O-CB 3.12Å; A7-F11 PolarHBondContact O-N 3.25Å; A7-V101 HydrophobicContact CB-CG2 4.32Å
8A93.4Very high91.8Very high0 Ų058.9 Ų58.90%027%0.27CS..Hα-helixtrans-65.6-42177.500000112.5E4 I5 F11 T12 V96 V101E4-A8 WeakPolarHBondContact O-CB 3.25Å; E4-A8 PolarHBondContact O-N 3.28Å; I5-A8 PolarHBondContact O-N 3.4Å; A8-F11 PolarHBondContact O-N 2.91Å; A8-T12 WeakPolarHBondContact O-CB 3.5Å; A8-T12 PolarHBondContact O-N 3.33Å; A8-T12 PolarHBondContact O-OG1 3.1Å; A8-V96 HydrophobicContact CB-CG1 4.38Å; A8-V96 HydrophobicContact CB-CG2 3.63Å; A8-V101 HydrophobicContact CB-CG1 4.09Å
9V94.9Very high91.6Very high9 Ų961.4 Ų61.46%0.05528%0.278CS..Hα-helixtrans-66.4-44.8176.2172.80000110.3I5 A6 F11 T12 T13 A31 L34 L38I5-V9 HydrophobicContact CG2-CG2 4.16Å; I5-V9 WeakPolarHBondContact O-CB 3.3Å; I5-V9 VanDerWaalsContact O-CG2 3.24Å; I5-V9 WeakPolarHBondContact O-CG2 3.38Å; I5-V9 PolarHBondContact O-N 3.18Å; A6-V9 PolarHBondContact O-N 3.22Å; V9-F11 VanDerWaalsContact C-N 3.33Å; V9-F11 PolarHBondContact O-N 2.78Å; V9-T12 PolarHBondContact O-N 3.02Å; V9-T13 HydrophobicContact CG1-CG2 4.11Å; V9-T13 WeakPolarHBondContact O-CB 3.28Å; V9-T13 WeakPolarHBondContact O-CG2 3.35Å; V9-T13 PolarHBondContact O-N 3.17Å; V9-T13 PolarHBondContact O-OG1 3.11Å; V9-A31 HydrophobicContact CG1-CB 3.97Å; V9-L34 HydrophobicContact CG2-CD2 4.14Å; V9-L34 HydrophobicContact CG2-CG 4.06Å; V9-L38 HydrophobicContact CG2-CD1 3.71Å
10F93.6Very high91.5Very high145 Ų14559.5 Ų59.564%0.63628%0.275SS*.Hα-helixtrans-60.1-44.3176.2-177.4-99000111.5A6 A7 T13 R14A6-F10 WeakPolarHBondContact O-CB 3.4Å; A6-F10 PolarHBondContact O-N 3.12Å; A7-F10 PolarHBondContact O-N 3.36Å; F10-T13 WeakPolarHBondContact CA-OG1 3.32Å; F10-T13 PolarHBondContact O-OG1 3.13Å; F10-R14 VanDerWaalsContact O-CB 3.25Å; F10-R14 WeakPolarHBondContact O-CB 3.4Å; F10-R14 PolarHBondContact O-N 3.1Å
11F91.9Very high91.4Very high28 Ų2861.3 Ų61.312%0.12329%0.294CS..Hα-helixtrans-60.5-49.8174.8175.1-100.7000111.6A7 A8 V9 T13 R14 L15 V94 C103 F113 V115A7-F11 VanDerWaalsContact O-CB 3.31Å; A7-F11 WeakPolarHBondContact O-CB 3.12Å; A7-F11 PolarHBondContact O-N 3.25Å; A8-F11 PolarHBondContact O-N 2.91Å; V9-F11 VanDerWaalsContact C-N 3.33Å; V9-F11 PolarHBondContact O-N 2.78Å; F11-T13 PolarHBondContact O-N 2.96Å; F11-R14 WeakPolarHBondContact O-CB 3.44Å; F11-R14 PolarHBondContact O-N 3.04Å; F11-L15 HydrophobicContact CD1-CD1 4.28Å; F11-L15 HydrophobicContact CD1-CG 4.48Å; F11-L15 HydrophobicContact CE1-CD1 3.57Å; F11-L15 HydrophobicContact CE1-CD2 4.47Å; F11-L15 HydrophobicContact CE1-CG 4.08Å; F11-L15 HydrophobicContact CE2-CD2 4.12Å; F11-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 HydrophobicContact CZ-CD2 3.97Å; F11-L15 HydrophobicContact CZ-CG 4.09Å; F11-L15 WeakPolarHBondContact O-CG 3.18Å; F11-L15 PolarHBondContact O-N 3.33Å; F11-V94 HydrophobicContact CE1-CG2 4.28Å; F11-C103 HydrophobicContact CE1-CB 4.07Å; F11-C103 WeakPolarHBondContact CE1-SG 3.41Å; F11-C103 HydrophobicContact CZ-CB 4.07Å; F11-C103 WeakPolarHBondContact CZ-SG 3.48Å; F11-F113 HydrophobicContact CE2-CE2 4.22Å; F11-F113 HydrophobicContact CE2-CZ 4.19Å; F11-F113 HydrophobicContact CZ-CE2 4.45Å; F11-F113 HydrophobicContact CZ-CZ 4.03Å; F11-V115 HydrophobicContact CB-CG1 3.7Å; F11-V115 HydrophobicContact CD1-CG2 4.45Å; F11-V115 HydrophobicContact CD2-CG1 3.71Å; F11-V115 HydrophobicContact CD2-CG2 4.02Å; F11-V115 HydrophobicContact CE2-CG2 4.09Å; F11-V115 HydrophobicContact CG-CG1 3.76Å; F11-V115 HydrophobicContact CG-CG2 4.21Å; F11-V115 HydrophobicContact CZ-CG2 4.35Å
12T92.6Very high91.5Very high3 Ų360 Ų602%0.01829%0.287CS..Hα-helixtrans-61.9-47.7-178.7-55.60000111.4A8 V9 R14 L15 V16 F30 L34 L72A8-T12 WeakPolarHBondContact O-CB 3.5Å; A8-T12 PolarHBondContact O-N 3.33Å; A8-T12 PolarHBondContact O-OG1 3.1Å; V9-T12 PolarHBondContact O-N 3.02Å; T12-R14 VanDerWaalsContact C-N 3.27Å; T12-R14 PolarHBondContact O-N 2.8Å; T12-L15 WeakPolarHBondContact O-CA 3.48Å; T12-L15 WeakPolarHBondContact O-CB 3.46Å; T12-L15 PolarHBondContact O-N 3.32Å; T12-V16 WeakPolarHBondContact O-CG2 3.32Å; T12-V16 PolarHBondContact O-N 3.41Å; T12-F30 HydrophobicContact CG2-CE1 4.38Å; T12-L34 HydrophobicContact CG2-CD2 4.09Å; T12-L72 HydrophobicContact CG2-CD2 4.3Å
13T92.9Very high91.7Very high18 Ų1858.1 Ų58.111%0.1129%0.285CS..Hα-helixtrans-63.4-33176.954.80000112.1V9 F10 F11 L15 V16 K17 A31V9-T13 HydrophobicContact CG1-CG2 4.11Å; V9-T13 WeakPolarHBondContact O-CB 3.28Å; V9-T13 WeakPolarHBondContact O-CG2 3.35Å; V9-T13 PolarHBondContact O-N 3.17Å; V9-T13 PolarHBondContact O-OG1 3.11Å; F10-T13 WeakPolarHBondContact CA-OG1 3.32Å; F10-T13 PolarHBondContact O-OG1 3.13Å; F11-T13 PolarHBondContact O-N 2.96Å; T13-L15 VanDerWaalsContact C-N 3.34Å; T13-V16 PolarHBondContact O-N 3.15Å; T13-K17 WeakPolarHBondContact O-CB 3.07Å; T13-K17 PolarHBondContact O-N 3.25Å; T13-A31 HydrophobicContact CG2-CB 3.53Å
14R91.6Very high91.7Very high138 Ų13857 Ų5752%0.52128%0.283SS..Hα-helixtrans-66.1-36.4172.3-170.465.8177.8-168.92.2112.2F10 F11 T12 R18F10-R14 VanDerWaalsContact O-CB 3.25Å; F10-R14 WeakPolarHBondContact O-CB 3.4Å; F10-R14 PolarHBondContact O-N 3.1Å; F11-R14 WeakPolarHBondContact O-CB 3.44Å; F11-R14 PolarHBondContact O-N 3.04Å; T12-R14 VanDerWaalsContact C-N 3.27Å; T12-R14 PolarHBondContact O-N 2.8Å; R14-R18 PolarHBondContact O-N 3.18Å
15L90.8Very high91.8Very high10 Ų1061.5 Ų61.55%0.05231%0.308CS..Hα-helixtrans-65.1-47.6172.6-59.4-170.5000110.8F11 T12 T13 K17 R18 Y19 L88 L92F11-L15 HydrophobicContact CD1-CD1 4.28Å; F11-L15 HydrophobicContact CD1-CG 4.48Å; F11-L15 HydrophobicContact CE1-CD1 3.57Å; F11-L15 HydrophobicContact CE1-CD2 4.47Å; F11-L15 HydrophobicContact CE1-CG 4.08Å; F11-L15 HydrophobicContact CE2-CD2 4.12Å; F11-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 HydrophobicContact CZ-CD2 3.97Å; F11-L15 HydrophobicContact CZ-CG 4.09Å; F11-L15 WeakPolarHBondContact O-CG 3.18Å; F11-L15 PolarHBondContact O-N 3.33Å; T12-L15 WeakPolarHBondContact O-CA 3.48Å; T12-L15 WeakPolarHBondContact O-CB 3.46Å; T12-L15 PolarHBondContact O-N 3.32Å; T13-L15 VanDerWaalsContact C-N 3.34Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 2.95Å; L15-R18 PolarHBondContact O-N 3.37Å; L15-Y19 HydrophobicContact CD2-CE2 4.5Å; L15-Y19 WeakPolarHBondContact O-CD2 3.18Å; L15-Y19 PolarHBondContact O-N 3.12Å; L15-L88 HydrophobicContact CB-CD2 3.93Å; L15-L88 HydrophobicContact CD1-CD2 4.36Å; L15-L92 HydrophobicContact CD1-CD1 4.32Å; L15-L92 HydrophobicContact CD1-CD2 3.97Å
16V91.9Very high91.8Very high2 Ų262.3 Ų62.31%0.01231%0.313CS..Hα-helixtrans-57.7-41.8176.9173.60000111.2T12 T13 R18 G20 L22 R27 F30 L86 L88T12-V16 WeakPolarHBondContact O-CG2 3.32Å; T12-V16 PolarHBondContact O-N 3.41Å; T13-V16 PolarHBondContact O-N 3.15Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 3.24Å; V16-G20 WeakPolarHBondContact O-CA 3.33Å; V16-G20 PolarHBondContact O-N 3.47Å; V16-L22 HydrophobicContact CG1-CB 4.45Å; V16-L22 HydrophobicContact CG1-CD1 3.77Å; V16-L22 HydrophobicContact CG1-CG 4.42Å; V16-R27 HydrophobicContact CG1-CG 4.32Å; V16-F30 HydrophobicContact CG2-CE1 4.46Å; V16-L86 WeakPolarHBondContact CA-O 3.42Å; V16-L86 HydrophobicContact CG1-CD2 4.13Å; V16-L86 HydrophobicContact CG2-CB 4.11Å; V16-L86 HydrophobicContact CG2-CD2 3.75Å; V16-L88 HydrophobicContact CG2-CD2 4.04Å
17K91.4Very high91.8Very high117 Ų11761.9 Ų61.951%0.50930%0.301SS..Hα-helixtrans-63.5-31.2175.6-178.2171.8179.9170.50113.3T13 L15T13-K17 WeakPolarHBondContact O-CB 3.07Å; T13-K17 PolarHBondContact O-N 3.25Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 2.95Å
18R89.6Confident91.9Very high173 Ų17367.6 Ų67.665%0.65332%0.324SS*.Hα-helixtrans-86.4-36.1-176.4-176.4-174.3-89.6-178.7-3.1112.6R14 L15 V16R14-R18 PolarHBondContact O-N 3.18Å; L15-R18 PolarHBondContact O-N 3.37Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 3.24Å
19Y87.9Confident92Very high107 Ų10773.1 Ų73.142%0.4235%0.345SS..Hα-helixtrans-119.8-20.3-170.3-58.6-77.7000114.2L15 G87 R105L15-Y19 HydrophobicContact CD2-CE2 4.5Å; L15-Y19 WeakPolarHBondContact O-CD2 3.18Å; L15-Y19 PolarHBondContact O-N 3.12Å; Y19-G87 WeakPolarHBondContact CB-O 3.4Å; Y19-R105 VanDerWaalsContact CE2-CZ 3.46Å; Y19-R105 PolarHBondContact OH-NH1 3.43Å
20G88.8Confident92.1Very high23 Ų2372.7 Ų72.724%0.23734%0.342CS..  trans-89.2173.3176.800000112.8V16 D85 L86V16-G20 WeakPolarHBondContact O-CA 3.33Å; V16-G20 PolarHBondContact O-N 3.47Å; G20-D85 WeakPolarHBondContact CA-O 3.31Å; G20-L86 WeakPolarHBondContact CA-O 3.39Å
21C89.3Confident92.2Very high97 Ų9766.8 Ų66.866%0.65532%0.32SS*.  trans-11519.4-177.2570000113.5D85C21-D85 PolarHBondContact N-O 2.97Å
22L90.6Very high92.4Very high25 Ų2568.2 Ų68.213%0.13134%0.337CS..  trans-80140.5-176-64.9176.4000113.8V16 V81 D85 L86V16-L22 HydrophobicContact CG1-CB 4.45Å; V16-L22 HydrophobicContact CG1-CD1 3.77Å; V16-L22 HydrophobicContact CG1-CG 4.42Å; L22-V81 HydrophobicContact CD1-CG1 3.44Å; L22-V81 VanDerWaalsContact CD1-CG1 3.44Å; L22-V81 HydrophobicContact CD1-CG2 4.45Å; L22-V81 HydrophobicContact CD2-CG1 3.8Å; L22-V81 HydrophobicContact CD2-CG2 4.46Å; L22-V81 HydrophobicContact CG-CG1 4.27Å; L22-D85 HydrophobicContact CD2-CB 3.54Å; L22-D85 HydrophobicContact CG-CB 4.04Å; L22-L86 HydrophobicContact CD1-CD2 3.73Å
23D92.4Very high92.5Very high114 Ų11468.7 Ų68.761%0.6134%0.341SS*.  trans-58.8160169.1-54.4-51.7000112D25 S26 R27D23-D25 PolarHBondContact O-N 3.25Å; D23-S26 PolarHBondContact O-N 2.9Å; D23-R27 WeakPolarHBondContact O-CB 3.48Å; D23-R27 PolarHBondContact O-N 3.31Å
24N92.3Very high92.7Very high104 Ų10467.8 Ų67.856%0.55634%0.336SS*.Hα-helixtrans-59.5-46.5179.2-68.9-36.4000111.9S26 R27 E28N24-S26 PolarHBondContact O-N 2.97Å; N24-R27 PolarHBondContact O-N 2.81Å; N24-R27 PolarHBondContact OD1-NH1 2.93Å; N24-R27 PolarHBondContact OD1-NH2 2.91Å; N24-E28 PolarHBondContact O-N 3.03Å
25D93.4Very high92.9Very high109 Ų10963.2 Ų63.258%0.58332%0.323SS*.Hα-helixtrans-64.8-40.7-178.8-56.8-18.6000111.9D23 R27 E28 R29D23-D25 PolarHBondContact O-N 3.25Å; D25-R27 VanDerWaalsContact C-N 3.35Å; D25-E28 PolarHBondContact O-N 3.1Å; D25-R29 WeakPolarHBondContact O-CG 3.44Å; D25-R29 PolarHBondContact O-N 3.22Å
26S93.1Very high93.1Very high17 Ų1765.7 Ų65.712%0.11934%0.341CS..Hα-helixtrans-65.5-40.1177.2-64.90000111.3D23 N24 R29 F30D23-S26 PolarHBondContact O-N 2.9Å; N24-S26 PolarHBondContact O-N 2.97Å; S26-R29 PolarHBondContact OG-NH2 2.8Å; S26-F30 WeakPolarHBondContact O-CB 3.23Å; S26-F30 PolarHBondContact O-N 3.27Å
27R93.9Very high93.2Very high40 Ų4065.6 Ų65.615%0.15134%0.341CS..Hα-helixtrans-67.1-36.6176-172.5173.863.8-119.1-4.7112.3V16 D23 N24 D25 F30 A31V16-R27 HydrophobicContact CG1-CG 4.32Å; D23-R27 WeakPolarHBondContact O-CB 3.48Å; D23-R27 PolarHBondContact O-N 3.31Å; N24-R27 PolarHBondContact O-N 2.81Å; N24-R27 PolarHBondContact OD1-NH1 2.93Å; N24-R27 PolarHBondContact OD1-NH2 2.91Å; D25-R27 VanDerWaalsContact C-N 3.35Å; R27-F30 PolarHBondContact O-N 3.36Å; R27-A31 WeakPolarHBondContact O-CB 3.3Å; R27-A31 PolarHBondContact O-N 2.84Å
28E94.6Very high93.3Very high141 Ų14160 Ų6066%0.65932%0.317SS*.Hα-helixtrans-69.3-45176.4-174168.9-171.600111.8N24 D25 F30 A31 A32N24-E28 PolarHBondContact O-N 3.03Å; D25-E28 PolarHBondContact O-N 3.1Å; E28-F30 VanDerWaalsContact C-N 3.29Å; E28-F30 PolarHBondContact O-N 2.84Å; E28-A31 WeakPolarHBondContact O-CB 3.31Å; E28-A31 PolarHBondContact O-N 3.2Å; E28-A31 VanDerWaalsContact O-N 3.12Å; E28-A32 PolarHBondContact O-N 3.38Å
29R95.6Very high93.5Very high116 Ų11654.3 Ų54.344%0.43830%0.297SS..Hα-helixtrans-56.6-44.1171.4-77.6-175.6-87.3108.1-1.7111.8D25 S26 A32 A33 S79D25-R29 WeakPolarHBondContact O-CG 3.44Å; D25-R29 PolarHBondContact O-N 3.22Å; S26-R29 PolarHBondContact OG-NH2 2.8Å; R29-A32 PolarHBondContact O-N 3.33Å; R29-A33 WeakPolarHBondContact O-CB 3.36Å; R29-A33 PolarHBondContact O-N 2.95Å; R29-S79 PolarHBondContact NH1-O 2.92Å
30F95.5Very high93.8Very high0 Ų053.5 Ų53.50%030%0.297CS..Hα-helixtrans-62.2-44.1174.3173.5-99.2000112.2T12 V16 S26 R27 E28 A32 A33 L34 L72 A75 L86T12-F30 HydrophobicContact CG2-CE1 4.38Å; V16-F30 HydrophobicContact CG2-CE1 4.46Å; S26-F30 WeakPolarHBondContact O-CB 3.23Å; S26-F30 PolarHBondContact O-N 3.27Å; R27-F30 PolarHBondContact O-N 3.36Å; E28-F30 VanDerWaalsContact C-N 3.29Å; E28-F30 PolarHBondContact O-N 2.84Å; F30-A32 VanDerWaalsContact C-N 3.35Å; F30-A32 PolarHBondContact O-N 3.19Å; F30-A33 PolarHBondContact O-N 2.81Å; F30-L34 HydrophobicContact CE1-CD2 4.01Å; F30-L34 HydrophobicContact CZ-CD2 4.1Å; F30-L34 VanDerWaalsContact O-CB 3.27Å; F30-L34 WeakPolarHBondContact O-CB 3.47Å; F30-L34 PolarHBondContact O-N 2.93Å; F30-L72 HydrophobicContact CZ-CD2 4.15Å; F30-A75 HydrophobicContact CD2-CB 4.25Å; F30-A75 HydrophobicContact CE2-CB 3.84Å; F30-L86 HydrophobicContact CD1-CD2 4.21Å; F30-L86 HydrophobicContact CD2-CD2 4.14Å; F30-L86 HydrophobicContact CE1-CD2 3.99Å; F30-L86 HydrophobicContact CE2-CD1 4.16Å; F30-L86 HydrophobicContact CE2-CD2 3.92Å; F30-L86 HydrophobicContact CG-CD2 4.28Å; F30-L86 HydrophobicContact CZ-CD1 4.09Å; F30-L86 HydrophobicContact CZ-CD2 3.83Å
31A95.6Very high93.9Very high20 Ų2054.2 Ų54.217%0.16530%0.295CS..Hα-helixtrans-59.5-45.2177.900000111.9V9 T13 R27 E28 T35V9-A31 HydrophobicContact CG1-CB 3.97Å; T13-A31 HydrophobicContact CG2-CB 3.53Å; R27-A31 WeakPolarHBondContact O-CB 3.3Å; R27-A31 PolarHBondContact O-N 2.84Å; E28-A31 WeakPolarHBondContact O-CB 3.31Å; E28-A31 PolarHBondContact O-N 3.2Å; E28-A31 VanDerWaalsContact O-N 3.12Å; A31-T35 WeakPolarHBondContact O-CB 3.39Å; A31-T35 PolarHBondContact O-N 3.19Å; A31-T35 PolarHBondContact O-OG1 3.34Å
32A95.8Very high94Very high58 Ų5849.6 Ų49.648%0.47926%0.264SS..Hα-helixtrans-63.9-46.2176.300000111.6E28 R29 F30 L34 T35 S36E28-A32 PolarHBondContact O-N 3.38Å; R29-A32 PolarHBondContact O-N 3.33Å; F30-A32 VanDerWaalsContact C-N 3.35Å; F30-A32 PolarHBondContact O-N 3.19Å; A32-L34 PolarHBondContact O-N 3.34Å; A32-T35 WeakPolarHBondContact O-CB 3.33Å; A32-T35 PolarHBondContact O-N 3.15Å; A32-S36 PolarHBondContact O-N 2.94Å; A32-S36 PolarHBondContact O-OG 3.07Å
33A96.4Very high93.8Very high13 Ų1355 Ų5511%0.10729%0.286CS..Hα-helixtrans-61.8-42.7177.700000112.5R29 F30 S36 A37 A75 R78R29-A33 WeakPolarHBondContact O-CB 3.36Å; R29-A33 PolarHBondContact O-N 2.95Å; F30-A33 PolarHBondContact O-N 2.81Å; A33-S36 PolarHBondContact O-N 3.1Å; A33-A37 WeakPolarHBondContact O-CB 3.44Å; A33-A37 PolarHBondContact O-N 3.17Å; A33-A75 HydrophobicContact CB-CB 4.46Å; A33-R78 HydrophobicContact CB-CB 3.96Å
34L95.8Very high93.5Very high0 Ų055.9 Ų55.90%029%0.291CS..Hα-helixtrans-64.5-43177.2-179.358000111.3V9 T12 F30 A32 S36 A37 L38 V71 L72 A75V9-L34 HydrophobicContact CG2-CD2 4.14Å; V9-L34 HydrophobicContact CG2-CG 4.06Å; T12-L34 HydrophobicContact CG2-CD2 4.09Å; F30-L34 HydrophobicContact CE1-CD2 4.01Å; F30-L34 HydrophobicContact CZ-CD2 4.1Å; F30-L34 VanDerWaalsContact O-CB 3.27Å; F30-L34 WeakPolarHBondContact O-CB 3.47Å; F30-L34 PolarHBondContact O-N 2.93Å; A32-L34 PolarHBondContact O-N 3.34Å; L34-S36 PolarHBondContact O-N 3.34Å; L34-A37 PolarHBondContact O-N 2.99Å; L34-L38 HydrophobicContact CD1-CD1 3.99Å; L34-L38 HydrophobicContact CD1-CG 4.01Å; L34-L38 HydrophobicContact CG-CD1 3.85Å; L34-L38 HydrophobicContact CG-CG 4.33Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.46Å; L34-V71 HydrophobicContact CD1-CG1 4.36Å; L34-L72 HydrophobicContact CD1-CD2 3.73Å; L34-L72 HydrophobicContact CD2-CD2 4.03Å; L34-A75 HydrophobicContact CB-CB 3.91Å; L34-A75 HydrophobicContact CD1-CB 4Å
35T95.6Very high93.4Very high41 Ų4153.9 Ų53.925%0.25228%0.278SS..Hα-helixtrans-56.7-51.3176.2-590000110.5I5 A31 A32 A37 L38 F39I5-T35 HydrophobicContact CG2-CG2 4.25Å; A31-T35 WeakPolarHBondContact O-CB 3.39Å; A31-T35 PolarHBondContact O-N 3.19Å; A31-T35 PolarHBondContact O-OG1 3.34Å; A32-T35 WeakPolarHBondContact O-CB 3.33Å; A32-T35 PolarHBondContact O-N 3.15Å; T35-A37 PolarHBondContact O-N 3.24Å; T35-L38 PolarHBondContact O-N 3.33Å; T35-F39 HydrophobicContact CG2-CD2 3.67Å; T35-F39 HydrophobicContact CG2-CE2 3.46Å; T35-F39 VanDerWaalsContact CG2-CE2 3.46Å; T35-F39 WeakPolarHBondContact O-CD2 3.4Å; T35-F39 PolarHBondContact O-N 3.42Å
36S95.4Very high93.2Very high62 Ų6250.3 Ų50.343%0.43426%0.257SS..Hα-helixtrans-61.5-43.7178.2-61.90000112.5A32 A33 L34 L38 F39 E40A32-S36 PolarHBondContact O-N 2.94Å; A32-S36 PolarHBondContact O-OG 3.07Å; A33-S36 PolarHBondContact O-N 3.1Å; L34-S36 PolarHBondContact O-N 3.34Å; S36-L38 PolarHBondContact O-N 3.44Å; S36-F39 PolarHBondContact O-N 2.88Å; S36-E40 WeakPolarHBondContact O-CG 3.34Å; S36-E40 PolarHBondContact O-N 3.24Å
37A94.8Very high93Very high0 Ų051.9 Ų51.90%026%0.262CS..Hα-helixtrans-62.4-4217800000112.2A33 L34 T35 E40 N41 V71A33-A37 WeakPolarHBondContact O-CB 3.44Å; A33-A37 PolarHBondContact O-N 3.17Å; L34-A37 PolarHBondContact O-N 2.99Å; T35-A37 PolarHBondContact O-N 3.24Å; A37-E40 PolarHBondContact O-N 2.86Å; A37-N41 WeakPolarHBondContact O-CB 3.49Å; A37-N41 PolarHBondContact O-N 3.17Å; A37-N41 PolarHBondContact O-ND2 3.03Å; A37-V71 HydrophobicContact CB-CG1 4.01Å
38L93.8Very high92.7Very high1 Ų154.3 Ų54.31%0.00528%0.283CS..Hα-helixtrans-65.8-43.9176.5-69.3168.8000111.5I5 V9 L34 T35 S36 E40 N41 Y42 L60 V71I5-L38 HydrophobicContact CD1-CB 4.3Å; I5-L38 HydrophobicContact CG1-CB 4.4Å; I5-L38 HydrophobicContact CG2-CB 4Å; I5-L38 HydrophobicContact CG2-CD1 4Å; V9-L38 HydrophobicContact CG2-CD1 3.71Å; L34-L38 HydrophobicContact CD1-CD1 3.99Å; L34-L38 HydrophobicContact CD1-CG 4.01Å; L34-L38 HydrophobicContact CG-CD1 3.85Å; L34-L38 HydrophobicContact CG-CG 4.33Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.46Å; T35-L38 PolarHBondContact O-N 3.33Å; S36-L38 PolarHBondContact O-N 3.44Å; L38-E40 PolarHBondContact O-N 3.12Å; L38-N41 PolarHBondContact O-N 3.04Å; L38-Y42 HydrophobicContact CB-CE2 4.35Å; L38-Y42 HydrophobicContact CD2-CE1 4.08Å; L38-Y42 HydrophobicContact CD2-CE2 3.87Å; L38-Y42 VanDerWaalsContact CD2-CZ 3.45Å; L38-Y42 WeakPolarHBondContact CD2-OH 3.45Å; L38-Y42 VanDerWaalsContact O-CB 3.26Å; L38-Y42 WeakPolarHBondContact O-CB 3.19Å; L38-Y42 PolarHBondContact O-N 2.93Å; L38-L60 HydrophobicContact CD2-CD1 4.12Å; L38-L60 HydrophobicContact CD2-CD2 3.96Å; L38-L60 HydrophobicContact CD2-CG 4.45Å; L38-V71 HydrophobicContact CD2-CG1 3.86Å; L38-V71 HydrophobicContact CG-CG1 4.28Å
39F93.8Very high92.3Very high52 Ų5252.9 Ų52.923%0.22829%0.288CS..Hα-helixtrans-59.8-46.1176.1-85.8-64.9000112.1M1 K2 I5 T35 S36 K43M1-F39 HydrophobicContact CE-CD1 3.87Å; M1-F39 HydrophobicContact CE-CE1 4.45Å; M1-F39 HydrophobicContact CG-CE1 4.28Å; M1-F39 HydrophobicContact SD-CD1 4.18Å; M1-F39 HydrophobicContact SD-CE1 4.3Å; K2-F39 HydrophobicContact CB-CE1 4.36Å; K2-F39 HydrophobicContact CB-CZ 3.98Å; K2-F39 HydrophobicContact CG-CE1 3.75Å; K2-F39 HydrophobicContact CG-CZ 3.7Å; I5-F39 HydrophobicContact CB-CZ 4.4Å; I5-F39 HydrophobicContact CD1-CD1 3.63Å; I5-F39 HydrophobicContact CD1-CD2 4.36Å; I5-F39 HydrophobicContact CD1-CE1 3.64Å; I5-F39 HydrophobicContact CD1-CE2 4.38Å; I5-F39 HydrophobicContact CD1-CG 3.99Å; I5-F39 HydrophobicContact CD1-CZ 4.03Å; I5-F39 HydrophobicContact CG2-CD2 4.38Å; I5-F39 HydrophobicContact CG2-CE2 4.06Å; I5-F39 HydrophobicContact CG2-CZ 4.38Å; T35-F39 HydrophobicContact CG2-CD2 3.67Å; T35-F39 HydrophobicContact CG2-CE2 3.46Å; T35-F39 VanDerWaalsContact CG2-CE2 3.46Å; T35-F39 WeakPolarHBondContact O-CD2 3.4Å; T35-F39 PolarHBondContact O-N 3.42Å; S36-F39 PolarHBondContact O-N 2.88Å; F39-K43 WeakPolarHBondContact O-CG 3.42Å; F39-K43 PolarHBondContact O-N 2.86Å
40E92.8Very high91.9Very high90 Ų9050.5 Ų50.542%0.42129%0.287SS..Hα-helixtrans-60.5-47.7177.7-74.8167.1-17000111.9S36 A37 L38 Y42 R78S36-E40 WeakPolarHBondContact O-CG 3.34Å; S36-E40 PolarHBondContact O-N 3.24Å; A37-E40 PolarHBondContact O-N 2.86Å; L38-E40 PolarHBondContact O-N 3.12Å; E40-Y42 PolarHBondContact O-N 3.4Å; E40-R78 IonicContact OE1-NH1 3.34Å; E40-R78 IonicContact OE2-CZ 2.97Å; E40-R78 IonicContact OE2-NH1 2.79Å; E40-R78 PolarHBondContact OE2-NH1 3.27Å; E40-R78 IonicContact OE2-NH2 3.3Å; E40-R78 PolarHBondContact OE2-NH2 3.44Å
41N90.8Very high91.4Very high38 Ų3853 Ų5320%0.20330%0.303CS..Hα-helixtrans-66.4-38.2-178.4-83.9-76000112.6A37 L38 H45 Y57A37-N41 WeakPolarHBondContact O-CB 3.49Å; A37-N41 PolarHBondContact O-N 3.17Å; A37-N41 PolarHBondContact O-ND2 3.03Å; L38-N41 PolarHBondContact O-N 3.04Å; N41-H45 PolarHBondContact O-ND1 3.38Å; N41-Y57 HydrophobicContact CB-CE1 4.44Å; N41-Y57 VanDerWaalsContact O-CE1 3.31Å; N41-Y57 WeakPolarHBondContact O-CE1 3.44Å
42Y91.3Very high90.9Very high1 Ų156.5 Ų56.50%0.00432%0.322CS..Hα-helixtrans-88.7-15.6-170.1-64.60.5000113.5M1 I5 L38 E40 N44 H45 W46 R58 V96M1-Y42 VanDerWaalsContact CE-CB 3.4Å; I5-Y42 HydrophobicContact CD1-CD2 4.06Å; I5-Y42 HydrophobicContact CG1-CD2 4.19Å; I5-Y42 HydrophobicContact CG1-CE2 4.43Å; L38-Y42 HydrophobicContact CB-CE2 4.35Å; L38-Y42 HydrophobicContact CD2-CE1 4.08Å; L38-Y42 HydrophobicContact CD2-CE2 3.87Å; L38-Y42 VanDerWaalsContact CD2-CZ 3.45Å; L38-Y42 WeakPolarHBondContact CD2-OH 3.45Å; L38-Y42 VanDerWaalsContact O-CB 3.26Å; L38-Y42 WeakPolarHBondContact O-CB 3.19Å; L38-Y42 PolarHBondContact O-N 2.93Å; E40-Y42 PolarHBondContact O-N 3.4Å; Y42-N44 VanDerWaalsContact C-N 3.26Å; Y42-N44 PolarHBondContact O-N 3.41Å; Y42-N44 VanDerWaalsContact O-N 3.12Å; Y42-H45 CarbonylContact O-C 3.42Å; Y42-H45 PolarHBondContact O-N 2.93Å; Y42-W46 HydrophobicContact CD2-CE3 4.23Å; Y42-W46 HydrophobicContact CD2-CZ3 4.13Å; Y42-W46 WeakPolarHBondContact O-CB 3.39Å; Y42-W46 PolarHBondContact O-N 2.79Å; Y42-R58 HydrophobicContact CD1-CB 4.14Å; Y42-R58 HydrophobicContact CD1-CG 3.74Å; Y42-R58 HydrophobicContact CD2-CB 4.49Å; Y42-R58 HydrophobicContact CD2-CG 4.29Å; Y42-R58 HydrophobicContact CE1-CB 3.79Å; Y42-R58 HydrophobicContact CE1-CG 3.94Å; Y42-R58 HydrophobicContact CE2-CB 4.13Å; Y42-R58 HydrophobicContact CE2-CG 4.42Å; Y42-R58 HydrophobicContact CG-CB 4.5Å; Y42-R58 HydrophobicContact CG-CG 3.96Å; Y42-R58 PolarHBondContact OH-O 3.48Å; Y42-V96 HydrophobicContact CE2-CB 3.86Å; Y42-V96 HydrophobicContact CE2-CG1 3.95Å; Y42-V96 HydrophobicContact CE2-CG2 4.4Å
43K86.9Confident90.6Very high137 Ų13761.2 Ų61.260%0.59633%0.328SS*.THydrogen-bonded Turntrans-45.8-44.7-178.7-90.6162.9-169.8-178.50114.2F39F39-K43 WeakPolarHBondContact O-CG 3.42Å; F39-K43 PolarHBondContact O-N 2.86Å
44N86.6Confident90.2Very high133 Ų13361.9 Ų61.971%0.71134%0.336SS*.THydrogen-bonded Turntrans-95.3-2.5-176.8-62.3-31000113.7Y42Y42-N44 VanDerWaalsContact C-N 3.26Å; Y42-N44 PolarHBondContact O-N 3.41Å; Y42-N44 VanDerWaalsContact O-N 3.12Å
45H89.8Confident89.8Confident62 Ų6265.8 Ų65.829%0.28735%0.354SS..SBendtrans-125.821.1-174.1-60.698.8000111.8N41 Y42 Y57 R58N41-H45 PolarHBondContact O-ND1 3.38Å; Y42-H45 CarbonylContact O-C 3.42Å; Y42-H45 PolarHBondContact O-N 2.93Å; H45-Y57 HydrophobicContact CB-CD1 3.81Å; H45-Y57 HydrophobicContact CB-CE1 4.25Å; H45-Y57 HydrophobicContact CB-CG 4.36Å; H45-Y57 AromaticContact CE1-CE1 3.8Å; H45-Y57 AromaticContact CE1-CE2 3.61Å; H45-Y57 AromaticContact CE1-CZ 3.48Å; H45-Y57 VanDerWaalsContact CE1-CZ 3.48Å; H45-Y57 AromaticContact CG-CD1 3.62Å; H45-Y57 AromaticContact CG-CE1 3.81Å; H45-Y57 AromaticContact CG-CG 3.94Å; H45-Y57 AromaticContact ND1-CD1 3.64Å; H45-Y57 AromaticContact ND1-CE1 3.3Å; H45-Y57 VanDerWaalsContact ND1-CE1 3.3Å; H45-Y57 WeakPolarHBondContact ND1-CE1 3.4Å; H45-Y57 AromaticContact ND1-CE2 3.97Å; H45-Y57 AromaticContact ND1-CZ 3.49Å; H45-Y57 AromaticContact NE2-CD2 3.99Å; H45-Y57 AromaticContact NE2-CE2 3.95Å; H45-R58 PolarHBondContact O-NH1 3.41Å
46W90.6Very high89.5Confident34 Ų3467.4 Ų67.413%0.12937%0.372CS..  trans-106.5111.1178.7-165.7-90.7000110.3M1 E4 Y42 V96 P98M1-W46 HydrophobicContact CB-CD2 3.95Å; M1-W46 HydrophobicContact CB-CG 4.3Å; M1-W46 HydrophobicContact CB-CH2 4.49Å; M1-W46 HydrophobicContact CB-CZ2 3.82Å; M1-W46 HydrophobicContact CG-CD2 3.72Å; M1-W46 HydrophobicContact CG-CE3 3.98Å; M1-W46 HydrophobicContact CG-CG 4.13Å; M1-W46 HydrophobicContact CG-CH2 4.44Å; M1-W46 HydrophobicContact CG-CZ2 4.18Å; M1-W46 HydrophobicContact CG-CZ3 4.34Å; M1-W46 HydrophobicContact SD-CB 4.47Å; M1-W46 HydrophobicContact SD-CD2 4.39Å; M1-W46 HydrophobicContact SD-CG 4.24Å; E4-W46 HydrophobicContact CB-CH2 4.06Å; E4-W46 HydrophobicContact CG-CH2 4.38Å; Y42-W46 HydrophobicContact CD2-CE3 4.23Å; Y42-W46 HydrophobicContact CD2-CZ3 4.13Å; Y42-W46 WeakPolarHBondContact O-CB 3.39Å; Y42-W46 PolarHBondContact O-N 2.79Å; W46-V96 HydrophobicContact CH2-CG1 4.41Å; W46-V96 HydrophobicContact CZ3-CG1 4.27Å; W46-P98 HydrophobicContact CD2-CG 4.15Å; W46-P98 HydrophobicContact CH2-CG 4.24Å; W46-P98 VanDerWaalsContact CZ2-CA 3.44Å; W46-P98 HydrophobicContact CZ2-CB 3.78Å; W46-P98 HydrophobicContact CZ2-CG 3.69Å
47H88.3Confident89.3Confident50 Ų5067.3 Ų67.323%0.23136%0.362CS..  trans-122.692.3-177.6-58.9-67.8000110.4S49 V50 R53H47-S49 VanDerWaalsContact C-N 3.26Å; H47-S49 PolarHBondContact O-N 2.91Å; H47-V50 CarbonylContact O-C 3.13Å; H47-V50 PolarHBondContact O-N 2.85Å; H47-V50 VanDerWaalsContact O-O 3.1Å; H47-R53 HydrophobicContact CB-CB 4.31Å; H47-R53 VanDerWaalsContact CD2-CD 3.48Å; H47-R53 WeakPolarHBondContact CD2-CD 3.29Å; H47-R53 PolarHBondContact NE2-NE 3.49Å
48P86.4Confident89.2Confident91 Ų9167.3 Ų67.359%0.59136%0.362SS*.THydrogen-bonded Turntrans-60.8-32.9-179.1-23.633.7000113.8V50P48-V50 VanDerWaalsContact C-N 3.3Å; P48-V50 PolarHBondContact O-N 2.87Å
49S86.2Confident89.1Confident111 Ų11168 Ų6878%0.77637%0.367SS*.THydrogen-bonded Turntrans-70.5-25.3178.953.70000113.5H47H47-S49 VanDerWaalsContact C-N 3.26Å; H47-S49 PolarHBondContact O-N 2.91Å
50V87.5Confident89Confident67 Ų6765.8 Ų65.841%0.40636%0.357SS..  trans-139.883.2178.8-172.20000108.4H47 P48 T52 R53H47-V50 CarbonylContact O-C 3.13Å; H47-V50 PolarHBondContact O-N 2.85Å; H47-V50 VanDerWaalsContact O-O 3.1Å; P48-V50 VanDerWaalsContact C-N 3.3Å; P48-V50 PolarHBondContact O-N 2.87Å; V50-T52 PolarHBondContact O-N 3.49Å; V50-T52 VanDerWaalsContact O-N 3.14Å; V50-R53 HydrophobicContact CB-CB 4.13Å; V50-R53 HydrophobicContact CG1-CB 3.94Å; V50-R53 VanDerWaalsContact O-CB 3.3Å; V50-R53 WeakPolarHBondContact O-CB 3.36Å; V50-R53 PolarHBondContact O-N 3.01Å
51P85.6Confident88.9Confident52 Ų5266.8 Ų66.834%0.33836%0.357SS..THydrogen-bonded Turntrans-56.4-33.2-175.2-27.935.9000113.5R53 R58 P98P51-R53 PolarHBondContact O-N 3.34Å; P51-R58 PolarHBondContact O-NH2 3.22Å; P51-P98 HydrophobicContact CB-CB 4.41Å; P51-P98 HydrophobicContact CB-CG 4.24Å; P51-P98 HydrophobicContact CG-CB 4.41Å
52T85.4Confident88.9Confident93 Ų9365.1 Ų65.157%0.57135%0.348SS*.THydrogen-bonded Turntrans-67.4-22.3179550000113.5V50 G54 Q55V50-T52 PolarHBondContact O-N 3.49Å; V50-T52 VanDerWaalsContact O-N 3.14Å; T52-G54 PolarHBondContact O-N 3.18Å; T52-Q55 WeakPolarHBondContact O-CB 3.41Å; T52-Q55 VanDerWaalsContact O-CG 3.31Å; T52-Q55 WeakPolarHBondContact O-CG 3.49Å; T52-Q55 PolarHBondContact O-N 2.87Å; T52-Q55 PolarHBondContact O-OE1 3.04Å
53R89.3Confident88.6Confident158 Ų15866 Ų6660%0.59635%0.353SS*.THydrogen-bonded Turntrans-71.2120.3178.4-172.5178.2170.91541.8109.5H47 V50 P51 Q55 R58H47-R53 HydrophobicContact CB-CB 4.31Å; H47-R53 VanDerWaalsContact CD2-CD 3.48Å; H47-R53 WeakPolarHBondContact CD2-CD 3.29Å; H47-R53 PolarHBondContact NE2-NE 3.49Å; V50-R53 HydrophobicContact CB-CB 4.13Å; V50-R53 HydrophobicContact CG1-CB 3.94Å; V50-R53 VanDerWaalsContact O-CB 3.3Å; V50-R53 WeakPolarHBondContact O-CB 3.36Å; V50-R53 PolarHBondContact O-N 3.01Å; P51-R53 PolarHBondContact O-N 3.34Å; R53-Q55 VanDerWaalsContact C-N 3.3Å; R53-R58 PolarHBondContact O-NH1 2.96Å
54G86.6Confident88.4Confident26 Ų2668.1 Ų68.127%0.26836%0.357SS..THydrogen-bonded Turntrans79.17.8-178.800000114.5T52 A56 Y57 R58T52-G54 PolarHBondContact O-N 3.18Å; G54-A56 VanDerWaalsContact C-N 3.25Å; G54-A56 PolarHBondContact O-N 3.36Å; G54-Y57 WeakPolarHBondContact O-CB 3.44Å; G54-Y57 PolarHBondContact O-N 3.45Å; G54-R58 PolarHBondContact O-N 2.69Å; G54-R58 VanDerWaalsContact O-N 3.09Å
55Q89.2Confident88.3Confident83 Ų8368.9 Ų68.939%0.38837%0.366SS..THydrogen-bonded Turntrans-54-40.1179.771.2-167.840.300113T52 R53 Y57 R58 C59T52-Q55 WeakPolarHBondContact O-CB 3.41Å; T52-Q55 VanDerWaalsContact O-CG 3.31Å; T52-Q55 WeakPolarHBondContact O-CG 3.49Å; T52-Q55 PolarHBondContact O-N 2.87Å; T52-Q55 PolarHBondContact O-OE1 3.04Å; R53-Q55 VanDerWaalsContact C-N 3.3Å; Q55-Y57 VanDerWaalsContact C-N 3.34Å; Q55-R58 PolarHBondContact O-N 3.17Å; Q55-C59 WeakPolarHBondContact O-CB 3.27Å; Q55-C59 PolarHBondContact O-N 3.09Å; Q55-C59 VanDerWaalsContact O-N 3.17Å
56A87.9Confident88Confident75 Ų7569.5 Ų69.562%0.6237%0.369SS*.THydrogen-bonded Turntrans-72.6-29.1-179.600000112.4G54 C59G54-A56 VanDerWaalsContact C-N 3.25Å; G54-A56 PolarHBondContact O-N 3.36Å; A56-C59 WeakPolarHBondContact O-CB 3.45Å
57Y91.1Very high87.7Confident59 Ų5972.4 Ų72.423%0.23139%0.387CS..THydrogen-bonded Turntrans-70.9-40.6175-177.3-80.1000110.8N41 H45 G54 Q55 C59 Y251N41-Y57 HydrophobicContact CB-CE1 4.44Å; N41-Y57 VanDerWaalsContact O-CE1 3.31Å; N41-Y57 WeakPolarHBondContact O-CE1 3.44Å; H45-Y57 HydrophobicContact CB-CD1 3.81Å; H45-Y57 HydrophobicContact CB-CE1 4.25Å; H45-Y57 HydrophobicContact CB-CG 4.36Å; H45-Y57 AromaticContact CE1-CE1 3.8Å; H45-Y57 AromaticContact CE1-CE2 3.61Å; H45-Y57 AromaticContact CE1-CZ 3.48Å; H45-Y57 VanDerWaalsContact CE1-CZ 3.48Å; H45-Y57 AromaticContact CG-CD1 3.62Å; H45-Y57 AromaticContact CG-CE1 3.81Å; H45-Y57 AromaticContact CG-CG 3.94Å; H45-Y57 AromaticContact ND1-CD1 3.64Å; H45-Y57 AromaticContact ND1-CE1 3.3Å; H45-Y57 VanDerWaalsContact ND1-CE1 3.3Å; H45-Y57 WeakPolarHBondContact ND1-CE1 3.4Å; H45-Y57 AromaticContact ND1-CE2 3.97Å; H45-Y57 AromaticContact ND1-CZ 3.49Å; H45-Y57 AromaticContact NE2-CD2 3.99Å; H45-Y57 AromaticContact NE2-CE2 3.95Å; G54-Y57 WeakPolarHBondContact O-CB 3.44Å; G54-Y57 PolarHBondContact O-N 3.45Å; Q55-Y57 VanDerWaalsContact C-N 3.34Å; Y57-C59 PolarHBondContact O-N 3.45Å; Y57-Y251 HydrophobicContact CD2-CD1 4.09Å; Y57-Y251 AromaticContact CD2-CE1 3.45Å; Y57-Y251 HydrophobicContact CD2-CE1 3.45Å; Y57-Y251 VanDerWaalsContact CD2-CE1 3.45Å; Y57-Y251 AromaticContact CD2-CE2 3.92Å; Y57-Y251 HydrophobicContact CD2-CE2 3.92Å; Y57-Y251 AromaticContact CD2-CZ 3.32Å; Y57-Y251 WeakPolarHBondContact CD2-OH 3.35Å; Y57-Y251 HydrophobicContact CE2-CE1 4.26Å; Y57-Y251 AromaticContact CE2-CE2 3.88Å; Y57-Y251 HydrophobicContact CE2-CE2 3.88Å; Y57-Y251 AromaticContact CE2-CZ 3.73Å; Y57-Y251 HydrophobicContact CG-CE1 4.22Å
58R92.5Very high87.7Confident0 Ų073.2 Ų73.20%039%0.391CS..SBendtrans-82.13.7178.4-57.2-170.1-56.6-88.5-5.2113.9Y42 H45 P51 R53 G54 Q55 V96 D97Y42-R58 HydrophobicContact CD1-CB 4.14Å; Y42-R58 HydrophobicContact CD1-CG 3.74Å; Y42-R58 HydrophobicContact CD2-CB 4.49Å; Y42-R58 HydrophobicContact CD2-CG 4.29Å; Y42-R58 HydrophobicContact CE1-CB 3.79Å; Y42-R58 HydrophobicContact CE1-CG 3.94Å; Y42-R58 HydrophobicContact CE2-CB 4.13Å; Y42-R58 HydrophobicContact CE2-CG 4.42Å; Y42-R58 HydrophobicContact CG-CB 4.5Å; Y42-R58 HydrophobicContact CG-CG 3.96Å; Y42-R58 PolarHBondContact OH-O 3.48Å; H45-R58 PolarHBondContact O-NH1 3.41Å; P51-R58 PolarHBondContact O-NH2 3.22Å; R53-R58 PolarHBondContact O-NH1 2.96Å; G54-R58 PolarHBondContact O-N 2.69Å; G54-R58 VanDerWaalsContact O-N 3.09Å; Q55-R58 PolarHBondContact O-N 3.17Å; R58-V96 PolarHBondContact NE-O 3.48Å; R58-D97 IonicContact CZ-OD1 3.66Å; R58-D97 IonicContact NE-OD1 3.87Å; R58-D97 IonicContact NH2-OD1 3.55Å; R58-D97 PolarHBondContact NH2-OD1 2.67Å
59C92.3Very high87.9Confident17 Ų1769.1 Ų69.112%0.11536%0.364CS..EExtended strand (participates in β ladder)trans-84.2123.9-178.9-177.30000109.8Q55 A56 Y57 T93 V94 W95Q55-C59 WeakPolarHBondContact O-CB 3.27Å; Q55-C59 PolarHBondContact O-N 3.09Å; Q55-C59 VanDerWaalsContact O-N 3.17Å; A56-C59 WeakPolarHBondContact O-CB 3.45Å; Y57-C59 PolarHBondContact O-N 3.45Å; C59-T93 WeakPolarHBondContact SG-CG2 3.44Å; C59-V94 WeakPolarHBondContact CA-O 3.33Å; C59-W95 VanDerWaalsContact SG-CD1 3.58Å; C59-W95 PolarHBondContact SG-NE1 2.93Å; C59-W95 VanDerWaalsContact SG-NE1 3.4Å
60L92.1Very high88.2Confident4 Ų466.8 Ų66.82%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-87.6112.8170.5-54.5177.5000108L38 V71 T93 V94L38-L60 HydrophobicContact CD2-CD1 4.12Å; L38-L60 HydrophobicContact CD2-CD2 3.96Å; L38-L60 HydrophobicContact CD2-CG 4.45Å; L60-V71 HydrophobicContact CD2-CB 3.94Å; L60-V71 HydrophobicContact CD2-CG1 4.33Å; L60-V71 HydrophobicContact CD2-CG2 4.27Å; L60-T93 CarbonylContact O-C 3.59Å; L60-T93 WeakPolarHBondContact O-CA 3.23Å; L60-V94 HydrophobicContact CB-CB 4.3Å; L60-V94 PolarHBondContact N-O 3.47Å; L60-V94 PolarHBondContact O-N 3.42Å
61R90.9Very high88.5Confident111 Ų11164.4 Ų64.442%0.41933%0.332SS..EExtended strand (participates in β ladder)trans-126.8125.5-173.8-176.2-179.7176.7-178.32111.9N63 D69 T93 E108R61-N63 PolarHBondContact NE-ND2 3.47Å; R61-N63 VanDerWaalsContact NE-ND2 3.1Å; R61-N63 PolarHBondContact NH2-ND2 2.95Å; R61-D69 PolarHBondContact N-OD2 2.78Å; R61-D69 VanDerWaalsContact N-OD2 3.1Å; R61-T93 HydrophobicContact CB-CG2 4.48Å; R61-E108 IonicContact NH2-OE1 2.96Å; R61-E108 PolarHBondContact NH2-OE1 3.38Å
62M89.7Confident88.8Confident3 Ų362 Ų622%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-122131.6168.7-66.7158.4-89.500108.8Q66 D69 L72 Y83 L88 E91 L92M62-Q66 CarbonylContact C-O 3.34Å; M62-Q66 WeakPolarHBondContact CA-O 3.4Å; M62-D69 HydrophobicContact CG-CB 4.38Å; M62-L72 HydrophobicContact CE-CD1 3.4Å; M62-L72 HydrophobicContact SD-CD1 3.81Å; M62-Y83 WeakPolarHBondContact CG-OH 3.31Å; M62-Y83 PolarHBondContact SD-OH 2.79Å; M62-L88 HydrophobicContact CE-CD1 4.13Å; M62-L88 HydrophobicContact SD-CB 4.16Å; M62-L88 HydrophobicContact SD-CD1 3.85Å; M62-E91 CarbonylContact O-C 3.54Å; M62-E91 WeakPolarHBondContact O-CA 3.39Å; M62-L92 HydrophobicContact CE-CB 3.8Å; M62-L92 HydrophobicContact CE-CD2 3.33Å; M62-L92 HydrophobicContact CE-CG 3.83Å; M62-L92 PolarHBondContact N-O 3.02Å; M62-L92 PolarHBondContact O-N 3.02Å; M62-L92 VanDerWaalsContact O-O 3.13Å
63N86.5Confident89.2Confident19 Ų1961.3 Ų61.310%0.10231%0.306CS..  trans-141.3170.9179.3-89.74.3000109.7R61 V65 Q66 L67 L90 E108R61-N63 PolarHBondContact NE-ND2 3.47Å; R61-N63 VanDerWaalsContact NE-ND2 3.1Å; R61-N63 PolarHBondContact NH2-ND2 2.95Å; N63-V65 PolarHBondContact O-N 3.49Å; N63-V65 VanDerWaalsContact O-N 3.1Å; N63-Q66 PolarHBondContact N-O 3.42Å; N63-Q66 CarbonylContact O-C 2.95Å; N63-Q66 PolarHBondContact O-N 3.39Å; N63-Q66 VanDerWaalsContact O-N 3.13Å; N63-L67 PolarHBondContact O-N 3.02Å; N63-L90 CarbonylContact C-O 3.54Å; N63-L90 WeakPolarHBondContact CA-O 3.26Å; N63-E108 PolarHBondContact ND2-OE1 3.26Å
64R81.4Confident89.5Confident182 Ų18256.3 Ų56.369%0.68729%0.29SS*.SBendtrans-56.3-29.5176.3-68176.5-174.1-115.9-1.5115.4E91R64-E91 WeakPolarHBondContact CD-OE1 3.39Å; R64-E91 HydrophobicContact CG-CG 4.35Å; R64-E91 WeakPolarHBondContact CG-OE1 3.37Å; R64-E91 IonicContact CZ-OE1 3.99Å; R64-E91 IonicContact NE-OE1 2.91Å; R64-E91 PolarHBondContact NE-OE1 3.06Å
65V84.6Confident89.8Confident149 Ų14955.1 Ų55.190%0.90328%0.277SS*.SBendtrans-85.5-42.8176.8-178.50000110.8N63N63-V65 PolarHBondContact O-N 3.49Å; N63-V65 VanDerWaalsContact O-N 3.1Å
66Q83.3Confident90.1Very high75 Ų7551.4 Ų51.435%0.3526%0.261SS..  trans-110.785178.3-178.2171.610.900108.8M62 N63 Q68M62-Q66 CarbonylContact C-O 3.34Å; M62-Q66 WeakPolarHBondContact CA-O 3.4Å; N63-Q66 PolarHBondContact N-O 3.42Å; N63-Q66 CarbonylContact O-C 2.95Å; N63-Q66 PolarHBondContact O-N 3.39Å; N63-Q66 VanDerWaalsContact O-N 3.13Å; Q66-Q68 VanDerWaalsContact CG-O 3.28Å; Q66-Q68 WeakPolarHBondContact CG-O 3.34Å; Q66-Q68 PolarHBondContact NE2-O 3.17Å; Q66-Q68 PolarHBondContact O-N 2.9Å
67L84.4Confident90.4Very high96 Ų9654.1 Ų54.150%0.50326%0.261SS..  trans-69.3-20.8-175.7-63.6174.4000112.9N63 L90N63-L67 PolarHBondContact O-N 3.02Å; L67-L90 HydrophobicContact CD2-CD2 4.11Å
68Q88.4Confident90.5Very high67 Ų6756.8 Ų56.831%0.31327%0.27SS..SBendtrans-127.5129.9-175.7-56.1-173.8-6.200110.9Q66 Y83Q66-Q68 VanDerWaalsContact CG-O 3.28Å; Q66-Q68 WeakPolarHBondContact CG-O 3.34Å; Q66-Q68 PolarHBondContact NE2-O 3.17Å; Q66-Q68 PolarHBondContact O-N 2.9Å; Q68-Y83 HydrophobicContact CB-CD2 4.43Å; Q68-Y83 HydrophobicContact CB-CE1 4.25Å; Q68-Y83 HydrophobicContact CB-CE2 4.07Å; Q68-Y83 HydrophobicContact CG-CD1 3.72Å; Q68-Y83 HydrophobicContact CG-CD2 4.19Å; Q68-Y83 HydrophobicContact CG-CE1 3.72Å; Q68-Y83 HydrophobicContact CG-CE2 4.18Å; Q68-Y83 HydrophobicContact CG-CG 3.95Å
69D91.8Very high90.6Very high4 Ų457.1 Ų57.12%0.02127%0.273CS..  trans-81134.2168.9-176.2-89.2000109.9R61 M62 V71 L72 Q73 Y83R61-D69 PolarHBondContact N-OD2 2.78Å; R61-D69 VanDerWaalsContact N-OD2 3.1Å; M62-D69 HydrophobicContact CG-CB 4.38Å; D69-V71 VanDerWaalsContact C-N 3.27Å; D69-V71 PolarHBondContact O-N 2.68Å; D69-V71 WeakPolarHBondContact OD1-CB 3.46Å; D69-V71 PolarHBondContact OD1-N 2.86Å; D69-L72 HydrophobicContact CB-CB 4.16Å; D69-L72 HydrophobicContact CB-CD1 3.97Å; D69-L72 HydrophobicContact CB-CG 4.08Å; D69-L72 PolarHBondContact O-N 3.04Å; D69-L72 VanDerWaalsContact O-N 3.17Å; D69-L72 PolarHBondContact OD1-N 3.05Å; D69-Q73 WeakPolarHBondContact O-CB 3.39Å; D69-Q73 PolarHBondContact O-N 3.22Å; D69-Y83 PolarHBondContact N-OH 2.78Å
70P91.8Very high90.6Very high63 Ų6360.8 Ų60.841%0.40930%0.304SS..Hα-helixtrans-58.2-34.9-177.7-2534.2000114.1Q74P70-Q74 WeakPolarHBondContact O-CB 3.22Å; P70-Q74 PolarHBondContact O-N 2.91Å
71V93.4Very high90.5Very high17 Ų1761.2 Ų61.210%0.10331%0.307CS..Hα-helixtrans-73.3-39.7-179.9-177.10000110.3L34 A37 L38 L60 D69 Q74 A75L34-V71 HydrophobicContact CD1-CG1 4.36Å; A37-V71 HydrophobicContact CB-CG1 4.01Å; L38-V71 HydrophobicContact CD2-CG1 3.86Å; L38-V71 HydrophobicContact CG-CG1 4.28Å; L60-V71 HydrophobicContact CD2-CB 3.94Å; L60-V71 HydrophobicContact CD2-CG1 4.33Å; L60-V71 HydrophobicContact CD2-CG2 4.27Å; D69-V71 VanDerWaalsContact C-N 3.27Å; D69-V71 PolarHBondContact O-N 2.68Å; D69-V71 WeakPolarHBondContact OD1-CB 3.46Å; D69-V71 PolarHBondContact OD1-N 2.86Å; V71-Q74 PolarHBondContact O-N 3.46Å; V71-A75 PolarHBondContact O-N 3.12Å
72L92.9Very high90.6Very high2 Ų263.3 Ų63.31%0.0132%0.315CS..Hα-helixtrans-66.4-40.1174.2-68.3177000111.5T12 F30 L34 M62 D69 A75 C76 Y83 L88T12-L72 HydrophobicContact CG2-CD2 4.3Å; F30-L72 HydrophobicContact CZ-CD2 4.15Å; L34-L72 HydrophobicContact CD1-CD2 3.73Å; L34-L72 HydrophobicContact CD2-CD2 4.03Å; M62-L72 HydrophobicContact CE-CD1 3.4Å; M62-L72 HydrophobicContact SD-CD1 3.81Å; D69-L72 HydrophobicContact CB-CB 4.16Å; D69-L72 HydrophobicContact CB-CD1 3.97Å; D69-L72 HydrophobicContact CB-CG 4.08Å; D69-L72 PolarHBondContact O-N 3.04Å; D69-L72 VanDerWaalsContact O-N 3.17Å; D69-L72 PolarHBondContact OD1-N 3.05Å; L72-A75 PolarHBondContact O-N 2.96Å; L72-C76 PolarHBondContact O-N 2.87Å; L72-C76 PolarHBondContact O-SG 3.34Å; L72-C76 VanDerWaalsContact O-SG 3.41Å; L72-Y83 HydrophobicContact CB-CE2 3.67Å; L72-L88 HydrophobicContact CD1-CD1 3.97Å
73Q93.5Very high90.6Very high77 Ų7764.6 Ų64.636%0.3632%0.319SS..Hα-helixtrans-61.1-47.2175.1-174.2-172.4-23.200111.2D69 A75 C76 E77D69-Q73 WeakPolarHBondContact O-CB 3.39Å; D69-Q73 PolarHBondContact O-N 3.22Å; Q73-A75 VanDerWaalsContact C-N 3.28Å; Q73-A75 PolarHBondContact O-N 3.45Å; Q73-C76 VanDerWaalsContact O-CB 3.3Å; Q73-C76 WeakPolarHBondContact O-CB 3.41Å; Q73-C76 PolarHBondContact O-N 3.49Å; Q73-C76 VanDerWaalsContact O-N 3.12Å; Q73-E77 PolarHBondContact NE2-OE1 2.81Å; Q73-E77 WeakPolarHBondContact O-CG 3.46Å; Q73-E77 PolarHBondContact O-N 2.93Å
74Q94.3Very high90.8Very high54 Ų5468.7 Ų68.725%0.25234%0.338SS..Hα-helixtrans-59.5-38.5175.8-175.4-1771.900112.1P70 V71 R78P70-Q74 WeakPolarHBondContact O-CB 3.22Å; P70-Q74 PolarHBondContact O-N 2.91Å; V71-Q74 PolarHBondContact O-N 3.46Å; Q74-R78 VanDerWaalsContact NE2-CZ 3.25Å; Q74-R78 WeakPolarHBondContact O-CB 3.31Å; Q74-R78 VanDerWaalsContact O-CG 3.29Å; Q74-R78 WeakPolarHBondContact O-CG 3.25Å; Q74-R78 PolarHBondContact O-N 3.38Å
75A94.6Very high91.2Very high0 Ų062.3 Ų62.30%032%0.318CS..Hα-helixtrans-67.3-39175.600000112.2F30 A33 L34 V71 L72 Q73 R78 S79F30-A75 HydrophobicContact CD2-CB 4.25Å; F30-A75 HydrophobicContact CE2-CB 3.84Å; A33-A75 HydrophobicContact CB-CB 4.46Å; L34-A75 HydrophobicContact CB-CB 3.91Å; L34-A75 HydrophobicContact CD1-CB 4Å; V71-A75 PolarHBondContact O-N 3.12Å; L72-A75 PolarHBondContact O-N 2.96Å; Q73-A75 VanDerWaalsContact C-N 3.28Å; Q73-A75 PolarHBondContact O-N 3.45Å; A75-R78 PolarHBondContact O-N 2.83Å; A75-S79 WeakPolarHBondContact O-CB 3.2Å; A75-S79 PolarHBondContact O-N 2.88Å; A75-S79 PolarHBondContact O-OG 2.93Å
76C94.1Very high91.4Very high6 Ų655.2 Ų55.24%0.04128%0.275CS..Hα-helixtrans-59.9-49.6172.7-78.80000111.9L72 Q73 R78 S79 A80 V81 L86L72-C76 PolarHBondContact O-N 2.87Å; L72-C76 PolarHBondContact O-SG 3.34Å; L72-C76 VanDerWaalsContact O-SG 3.41Å; Q73-C76 VanDerWaalsContact O-CB 3.3Å; Q73-C76 WeakPolarHBondContact O-CB 3.41Å; Q73-C76 PolarHBondContact O-N 3.49Å; Q73-C76 VanDerWaalsContact O-N 3.12Å; C76-R78 VanDerWaalsContact C-N 3.35Å; C76-R78 PolarHBondContact O-N 3.26Å; C76-S79 PolarHBondContact O-N 2.97Å; C76-S79 VanDerWaalsContact O-N 3.17Å; C76-S79 PolarHBondContact O-OG 3.47Å; C76-A80 PolarHBondContact O-N 3.39Å; C76-V81 CarbonylContact C-O 3.48Å; C76-V81 VanDerWaalsContact CB-O 3.23Å; C76-V81 WeakPolarHBondContact CB-O 3.37Å; C76-V81 PolarHBondContact O-N 3.36Å; C76-L86 VanDerWaalsContact SG-CD1 3.53Å
77E94.1Very high91.7Very high132 Ų13252.9 Ų52.962%0.61727%0.271SS*.Hα-helixtrans-58.9-45.2178.1-71.3170.2-168.800111.6Q73 S79 A80Q73-E77 PolarHBondContact NE2-OE1 2.81Å; Q73-E77 WeakPolarHBondContact O-CG 3.46Å; Q73-E77 PolarHBondContact O-N 2.93Å; E77-S79 VanDerWaalsContact C-N 3.31Å; E77-S79 PolarHBondContact O-N 3.48Å; E77-A80 PolarHBondContact O-N 3.05Å
78R94.6Very high91.9Very high115 Ų11549.7 Ų49.743%0.43425%0.254SS..Hα-helixtrans-66.6-28.1177.7-74175.4175.3-173.8-3.6114A33 E40 Q74 A75 C76A33-R78 HydrophobicContact CB-CB 3.96Å; E40-R78 IonicContact OE1-NH1 3.34Å; E40-R78 IonicContact OE2-CZ 2.97Å; E40-R78 IonicContact OE2-NH1 2.79Å; E40-R78 PolarHBondContact OE2-NH1 3.27Å; E40-R78 IonicContact OE2-NH2 3.3Å; E40-R78 PolarHBondContact OE2-NH2 3.44Å; Q74-R78 VanDerWaalsContact NE2-CZ 3.25Å; Q74-R78 WeakPolarHBondContact O-CB 3.31Å; Q74-R78 VanDerWaalsContact O-CG 3.29Å; Q74-R78 WeakPolarHBondContact O-CG 3.25Å; Q74-R78 PolarHBondContact O-N 3.38Å; A75-R78 PolarHBondContact O-N 2.83Å; C76-R78 VanDerWaalsContact C-N 3.35Å; C76-R78 PolarHBondContact O-N 3.26Å
79S92.9Very high91.8Very high7 Ų748 Ų485%0.04925%0.249CC..Hα-helixtrans-97.90.1-177.855.70000113.7R29 A75 C76 E77 V81R29-S79 PolarHBondContact NH1-O 2.92Å; A75-S79 WeakPolarHBondContact O-CB 3.2Å; A75-S79 PolarHBondContact O-N 2.88Å; A75-S79 PolarHBondContact O-OG 2.93Å; C76-S79 PolarHBondContact O-N 2.97Å; C76-S79 VanDerWaalsContact O-N 3.17Å; C76-S79 PolarHBondContact O-OG 3.47Å; E77-S79 VanDerWaalsContact C-N 3.31Å; E77-S79 PolarHBondContact O-N 3.48Å; S79-V81 PolarHBondContact O-N 2.82Å
80A92.4Very high91.5Very high94 Ų9453.2 Ų53.278%0.77728%0.276SS*.THydrogen-bonded Turntrans53.737.8-172.400000112.7C76 E77C76-A80 PolarHBondContact O-N 3.39Å; E77-A80 PolarHBondContact O-N 3.05Å
81V91.8Very high91.3Very high12 Ų1252.6 Ų52.67%0.07327%0.268CS..  trans-110.1136.8179.9166.10000108.7L22 C76 S79 L86L22-V81 HydrophobicContact CD1-CG1 3.44Å; L22-V81 VanDerWaalsContact CD1-CG1 3.44Å; L22-V81 HydrophobicContact CD1-CG2 4.45Å; L22-V81 HydrophobicContact CD2-CG1 3.8Å; L22-V81 HydrophobicContact CD2-CG2 4.46Å; L22-V81 HydrophobicContact CG-CG1 4.27Å; C76-V81 CarbonylContact C-O 3.48Å; C76-V81 VanDerWaalsContact CB-O 3.23Å; C76-V81 WeakPolarHBondContact CB-O 3.37Å; C76-V81 PolarHBondContact O-N 3.36Å; S79-V81 PolarHBondContact O-N 2.82Å; V81-L86 HydrophobicContact CG1-CD2 4.13Å
82R91.6Very high91.1Very high156 Ų15651.9 Ų51.959%0.58926%0.263SS*.  trans-77.3143.5174.1-58.8178.555.8178.2-5.6110.6E84 D85R82-E84 VanDerWaalsContact C-N 3.26Å; R82-E84 IonicContact CZ-OE2 2.67Å; R82-E84 VanDerWaalsContact CZ-OE2 3.3Å; R82-E84 IonicContact NE-OE2 3.72Å; R82-E84 PolarHBondContact NE-OE2 2.97Å; R82-E84 IonicContact NH2-OE2 2.78Å; R82-E84 PolarHBondContact NH2-OE2 2.97Å; R82-E84 PolarHBondContact O-N 3.28Å; R82-D85 WeakPolarHBondContact CB-OD2 3.37Å; R82-D85 PolarHBondContact O-N 3.29Å
83Y90.3Very high91.1Very high29 Ų2952.4 Ų52.411%0.11427%0.266CS..THydrogen-bonded Turntrans-63.5-36179.8-160.4-84.6000112.1M62 Q68 D69 L72 D85 L86M62-Y83 WeakPolarHBondContact CG-OH 3.31Å; M62-Y83 PolarHBondContact SD-OH 2.79Å; Q68-Y83 HydrophobicContact CB-CD2 4.43Å; Q68-Y83 HydrophobicContact CB-CE1 4.25Å; Q68-Y83 HydrophobicContact CB-CE2 4.07Å; Q68-Y83 HydrophobicContact CG-CD1 3.72Å; Q68-Y83 HydrophobicContact CG-CD2 4.19Å; Q68-Y83 HydrophobicContact CG-CE1 3.72Å; Q68-Y83 HydrophobicContact CG-CE2 4.18Å; Q68-Y83 HydrophobicContact CG-CG 3.95Å; D69-Y83 PolarHBondContact N-OH 2.78Å; L72-Y83 HydrophobicContact CB-CE2 3.67Å; Y83-D85 PolarHBondContact O-N 3.26Å; Y83-L86 HydrophobicContact CD2-CD1 4.09Å; Y83-L86 HydrophobicContact CE2-CD1 4.23Å; Y83-L86 HydrophobicContact CG-CD1 4.32Å; Y83-L86 VanDerWaalsContact O-CB 3.32Å; Y83-L86 WeakPolarHBondContact O-CB 3.3Å; Y83-L86 PolarHBondContact O-N 3.48Å
84E89.8Confident91Very high105 Ų10548.8 Ų48.849%0.49125%0.25SC..G310 helixtrans-62.7-33.5-179.7-56.978.9-12800112.3R82 L86 G87R82-E84 VanDerWaalsContact C-N 3.26Å; R82-E84 IonicContact CZ-OE2 2.67Å; R82-E84 VanDerWaalsContact CZ-OE2 3.3Å; R82-E84 IonicContact NE-OE2 3.72Å; R82-E84 PolarHBondContact NE-OE2 2.97Å; R82-E84 IonicContact NH2-OE2 2.78Å; R82-E84 PolarHBondContact NH2-OE2 2.97Å; R82-E84 PolarHBondContact O-N 3.28Å; E84-L86 PolarHBondContact O-N 3.26Å; E84-G87 PolarHBondContact O-N 2.8Å
85D90.7Very high91Very high49 Ų4948.6 Ų48.626%0.26225%0.247SC..G310 helixtrans-74.2-15.3-177.3-60.6-21.3000112.3G20 C21 L22 R82 Y83 G87G20-D85 WeakPolarHBondContact CA-O 3.31Å; C21-D85 PolarHBondContact N-O 2.97Å; L22-D85 HydrophobicContact CD2-CB 3.54Å; L22-D85 HydrophobicContact CG-CB 4.04Å; R82-D85 WeakPolarHBondContact CB-OD2 3.37Å; R82-D85 PolarHBondContact O-N 3.29Å; Y83-D85 PolarHBondContact O-N 3.26Å; D85-G87 PolarHBondContact O-N 2.68Å
86L89.4Confident90.9Very high0 Ų048.6 Ų48.60%025%0.247CC..G310 helixtrans-66.6-25.9175-63.2176.5000112.5V16 G20 L22 F30 C76 V81 Y83 E84 L88V16-L86 WeakPolarHBondContact CA-O 3.42Å; V16-L86 HydrophobicContact CG1-CD2 4.13Å; V16-L86 HydrophobicContact CG2-CB 4.11Å; V16-L86 HydrophobicContact CG2-CD2 3.75Å; G20-L86 WeakPolarHBondContact CA-O 3.39Å; L22-L86 HydrophobicContact CD1-CD2 3.73Å; F30-L86 HydrophobicContact CD1-CD2 4.21Å; F30-L86 HydrophobicContact CD2-CD2 4.14Å; F30-L86 HydrophobicContact CE1-CD2 3.99Å; F30-L86 HydrophobicContact CE2-CD1 4.16Å; F30-L86 HydrophobicContact CE2-CD2 3.92Å; F30-L86 HydrophobicContact CG-CD2 4.28Å; F30-L86 HydrophobicContact CZ-CD1 4.09Å; F30-L86 HydrophobicContact CZ-CD2 3.83Å; C76-L86 VanDerWaalsContact SG-CD1 3.53Å; V81-L86 HydrophobicContact CG1-CD2 4.13Å; Y83-L86 HydrophobicContact CD2-CD1 4.09Å; Y83-L86 HydrophobicContact CE2-CD1 4.23Å; Y83-L86 HydrophobicContact CG-CD1 4.32Å; Y83-L86 VanDerWaalsContact O-CB 3.32Å; Y83-L86 WeakPolarHBondContact O-CB 3.3Å; Y83-L86 PolarHBondContact O-N 3.48Å; E84-L86 PolarHBondContact O-N 3.26Å; L86-L88 HydrophobicContact CB-CD1 4.27Å; L86-L88 HydrophobicContact CB-CG 3.93Å; L86-L88 HydrophobicContact CD1-CD1 4.01Å; L86-L88 PolarHBondContact O-N 2.82Å
87G88.3Confident90.8Very high26 Ų2649.6 Ų49.627%0.26825%0.252SS..  trans59.128.2-18000000114.1Y19 E84 D85Y19-G87 WeakPolarHBondContact CB-O 3.4Å; E84-G87 PolarHBondContact O-N 2.8Å; D85-G87 PolarHBondContact O-N 2.68Å
88L88.6Confident90.5Very high28 Ų2844.2 Ų44.215%0.14723%0.228CC..  trans-68.8149.6-179.5-64.4176.3000111L15 V16 M62 L72 L86L15-L88 HydrophobicContact CB-CD2 3.93Å; L15-L88 HydrophobicContact CD1-CD2 4.36Å; V16-L88 HydrophobicContact CG2-CD2 4.04Å; M62-L88 HydrophobicContact CE-CD1 4.13Å; M62-L88 HydrophobicContact SD-CB 4.16Å; M62-L88 HydrophobicContact SD-CD1 3.85Å; L72-L88 HydrophobicContact CD1-CD1 3.97Å; L86-L88 HydrophobicContact CB-CD1 4.27Å; L86-L88 HydrophobicContact CB-CG 3.93Å; L86-L88 HydrophobicContact CD1-CD1 4.01Å; L86-L88 PolarHBondContact O-N 2.82Å
89P86.5Confident90.1Very high33 Ų3339.9 Ų39.921%0.21422%0.22CC..  trans-57.3146174.7-21.532.3000111.9E91 R105P89-E91 PolarHBondContact O-N 3.39Å; P89-E91 VanDerWaalsContact O-N 3.17Å; P89-R105 HydrophobicContact CG-CG 3.99Å
90L85Confident89.9Confident113 Ų11343.7 Ų43.759%0.59224%0.237SC*.SBendtrans-58.9-27.5177.4-68.1171.9000113.6N63 L67N63-L90 CarbonylContact C-O 3.54Å; N63-L90 WeakPolarHBondContact CA-O 3.26Å; L67-L90 HydrophobicContact CD2-CD2 4.11Å
91E89.1Confident89.8Confident50 Ų5039.2 Ų39.223%0.23420%0.2CC..SBendtrans-128.9102.4178.8-68.9173.6-179.900108.7M62 R64 P89 R105 G107M62-E91 CarbonylContact O-C 3.54Å; M62-E91 WeakPolarHBondContact O-CA 3.39Å; R64-E91 WeakPolarHBondContact CD-OE1 3.39Å; R64-E91 HydrophobicContact CG-CG 4.35Å; R64-E91 WeakPolarHBondContact CG-OE1 3.37Å; R64-E91 IonicContact CZ-OE1 3.99Å; R64-E91 IonicContact NE-OE1 2.91Å; R64-E91 PolarHBondContact NE-OE1 3.06Å; P89-E91 PolarHBondContact O-N 3.39Å; P89-E91 VanDerWaalsContact O-N 3.17Å; E91-R105 CarbonylContact O-C 3.53Å; E91-R105 VanDerWaalsContact O-O 3.09Å; E91-G107 WeakPolarHBondContact OE2-CA 3.48Å; E91-G107 PolarHBondContact OE2-N 3.32Å
92L89.3Confident89.7Confident1 Ų139.5 Ų39.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-140131.9179.1176.772.7000109L15 M62 V94 C103 R104 R105L15-L92 HydrophobicContact CD1-CD1 4.32Å; L15-L92 HydrophobicContact CD1-CD2 3.97Å; M62-L92 HydrophobicContact CE-CB 3.8Å; M62-L92 HydrophobicContact CE-CD2 3.33Å; M62-L92 HydrophobicContact CE-CG 3.83Å; M62-L92 PolarHBondContact N-O 3.02Å; M62-L92 PolarHBondContact O-N 3.02Å; M62-L92 VanDerWaalsContact O-O 3.13Å; L92-V94 HydrophobicContact CD1-CG2 4.27Å; L92-V94 HydrophobicContact CD2-CG2 4.26Å; L92-V94 HydrophobicContact CG-CG2 4.14Å; L92-C103 WeakPolarHBondContact CD1-SG 3.16Å; L92-R104 CarbonylContact C-O 3.56Å; L92-R104 WeakPolarHBondContact CA-O 3.36Å; L92-R105 HydrophobicContact CD1-CB 4.23Å; L92-R105 HydrophobicContact CD1-CG 3.92Å
93T91.9Very high89.6Confident13 Ų1332.1 Ų32.18%0.0817%0.174CC..EExtended strand (participates in β ladder)trans-131124.5173.7-520000108.9C59 L60 R61 W95 C103 R104C59-T93 WeakPolarHBondContact SG-CG2 3.44Å; L60-T93 CarbonylContact O-C 3.59Å; L60-T93 WeakPolarHBondContact O-CA 3.23Å; R61-T93 HydrophobicContact CB-CG2 4.48Å; T93-W95 HydrophobicContact CG2-CD2 4.21Å; T93-W95 HydrophobicContact CG2-CE3 4.48Å; T93-W95 HydrophobicContact CG2-CH2 3.76Å; T93-W95 HydrophobicContact CG2-CZ2 3.43Å; T93-W95 VanDerWaalsContact CG2-CZ2 3.43Å; T93-W95 HydrophobicContact CG2-CZ3 4.28Å; T93-C103 CarbonylContact O-C 3.6Å; T93-C103 WeakPolarHBondContact O-CA 3.39Å; T93-R104 PolarHBondContact N-O 3.47Å; T93-R104 PolarHBondContact O-N 2.94Å
94V92.8Very high89.4Confident1 Ų133.9 Ų33.91%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-120.6125.5177.4-175.10000108.4F11 C59 L60 L92 V96 V101 S102 C103F11-V94 HydrophobicContact CE1-CG2 4.28Å; C59-V94 WeakPolarHBondContact CA-O 3.33Å; L60-V94 HydrophobicContact CB-CB 4.3Å; L60-V94 PolarHBondContact N-O 3.47Å; L60-V94 PolarHBondContact O-N 3.42Å; L92-V94 HydrophobicContact CD1-CG2 4.27Å; L92-V94 HydrophobicContact CD2-CG2 4.26Å; L92-V94 HydrophobicContact CG-CG2 4.14Å; V94-V96 HydrophobicContact CG1-CG2 4.16Å; V94-V101 HydrophobicContact CG1-CG1 4.24Å; V94-S102 WeakPolarHBondContact CA-O 3.48Å; V94-C103 HydrophobicContact CG2-CB 4.49Å
95W93.1Very high88.5Confident50 Ų5029.9 Ų29.919%0.18916%0.161CC..EExtended strand (participates in β ladder)trans-102.3125.9172.4-61.4-83.2000109C59 T93 V101 S102 R104 P112C59-W95 VanDerWaalsContact SG-CD1 3.58Å; C59-W95 PolarHBondContact SG-NE1 2.93Å; C59-W95 VanDerWaalsContact SG-NE1 3.4Å; T93-W95 HydrophobicContact CG2-CD2 4.21Å; T93-W95 HydrophobicContact CG2-CE3 4.48Å; T93-W95 HydrophobicContact CG2-CH2 3.76Å; T93-W95 HydrophobicContact CG2-CZ2 3.43Å; T93-W95 VanDerWaalsContact CG2-CZ2 3.43Å; T93-W95 HydrophobicContact CG2-CZ3 4.28Å; W95-V101 WeakPolarHBondContact O-CA 3.4Å; W95-S102 PolarHBondContact N-O 3.46Å; W95-S102 PolarHBondContact O-N 3.3Å; W95-R104 HydrophobicContact CH2-CB 3.9Å; W95-R104 HydrophobicContact CZ3-CB 3.77Å; W95-P112 HydrophobicContact CZ3-CB 3.88Å
96V93.4Very high87.4Confident0 Ų036.2 Ų36.20%018%0.183CC..EExtended strand (participates in β ladder)trans-115.194178.3-171.30000107.5E4 I5 A8 Y42 W46 R58 V94 V101E4-V96 HydrophobicContact CB-CG1 4.17Å; I5-V96 HydrophobicContact CG1-CG1 4.39Å; A8-V96 HydrophobicContact CB-CG1 4.38Å; A8-V96 HydrophobicContact CB-CG2 3.63Å; Y42-V96 HydrophobicContact CE2-CB 3.86Å; Y42-V96 HydrophobicContact CE2-CG1 3.95Å; Y42-V96 HydrophobicContact CE2-CG2 4.4Å; W46-V96 HydrophobicContact CH2-CG1 4.41Å; W46-V96 HydrophobicContact CZ3-CG1 4.27Å; R58-V96 PolarHBondContact NE-O 3.48Å; V94-V96 HydrophobicContact CG1-CG2 4.16Å; V96-V101 HydrophobicContact CG1-CG2 4.41Å
97D91.8Very high86.2Confident27 Ų2736.6 Ų36.614%0.14419%0.187CC..EExtended strand (participates in β ladder)trans-114.9155.8-175.1-63.6-36.5000110.6R58 G99 E100R58-D97 IonicContact CZ-OD1 3.66Å; R58-D97 IonicContact NE-OD1 3.87Å; R58-D97 IonicContact NH2-OD1 3.55Å; R58-D97 PolarHBondContact NH2-OD1 2.67Å; D97-G99 PolarHBondContact O-N 2.9Å; D97-E100 CarbonylContact C-O 3.37Å; D97-E100 WeakPolarHBondContact CA-O 3.24Å; D97-E100 PolarHBondContact N-O 3.34Å; D97-E100 CarbonylContact O-C 3.6Å; D97-E100 PolarHBondContact O-N 3.14Å
98P87.6Confident85.1Confident19 Ų1941.4 Ų41.412%0.12320%0.202CC..THydrogen-bonded Turntrans-57121.9172.9-18.525.9000111.4W46 P51 E100W46-P98 HydrophobicContact CD2-CG 4.15Å; W46-P98 HydrophobicContact CH2-CG 4.24Å; W46-P98 VanDerWaalsContact CZ2-CA 3.44Å; W46-P98 HydrophobicContact CZ2-CB 3.78Å; W46-P98 HydrophobicContact CZ2-CG 3.69Å; P51-P98 HydrophobicContact CB-CB 4.41Å; P51-P98 HydrophobicContact CB-CG 4.24Å; P51-P98 HydrophobicContact CG-CB 4.41Å; P98-E100 VanDerWaalsContact C-N 3.3Å; P98-E100 PolarHBondContact O-N 2.76Å
99G84.9Confident84Confident25 Ų2552 Ų5226%0.25824%0.24SC..THydrogen-bonded Turntrans84-12.9179.700000115.9E4 D97 L118E4-G99 PolarHBondContact OE1-N 2.96Å; D97-G99 PolarHBondContact O-N 2.9Å; G99-L118 CarbonylContact O-C 3.41Å; G99-L118 WeakPolarHBondContact O-CA 3.49Å; G99-L118 PolarHBondContact O-N 2.89Å
100E88.6Confident83.2Confident86 Ų8651.6 Ų51.640%0.40224%0.239SC..EExtended strand (participates in β ladder)trans-149.3137.4179.5-169.9179.8173.400113D97 P98 C114 S116D97-E100 CarbonylContact C-O 3.37Å; D97-E100 WeakPolarHBondContact CA-O 3.24Å; D97-E100 PolarHBondContact N-O 3.34Å; D97-E100 CarbonylContact O-C 3.6Å; D97-E100 PolarHBondContact O-N 3.14Å; P98-E100 VanDerWaalsContact C-N 3.3Å; P98-E100 PolarHBondContact O-N 2.76Å; E100-C114 PolarHBondContact OE1-SG 3.18Å; E100-C114 VanDerWaalsContact OE1-SG 3.34Å; E100-S116 WeakPolarHBondContact CA-O 3.4Å
101V90.9Very high82.6Confident1 Ų151.9 Ų51.91%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-117120.4166.4-175.50000108.4E4 A7 A8 V94 W95 V96 C114 V115 S116E4-V101 HydrophobicContact CB-CG2 3.78Å; E4-V101 HydrophobicContact CG-CG2 4.41Å; E4-V101 WeakPolarHBondContact O-CG2 3.46Å; A7-V101 HydrophobicContact CB-CG2 4.32Å; A8-V101 HydrophobicContact CB-CG1 4.09Å; V94-V101 HydrophobicContact CG1-CG1 4.24Å; W95-V101 WeakPolarHBondContact O-CA 3.4Å; V96-V101 HydrophobicContact CG1-CG2 4.41Å; V101-C114 PolarHBondContact O-SG 3.21Å; V101-V115 HydrophobicContact CB-CB 4.41Å; V101-V115 HydrophobicContact CG1-CB 4.14Å; V101-V115 HydrophobicContact CG1-CG1 4.47Å; V101-V115 WeakPolarHBondContact O-CA 3.5Å; V101-V115 WeakPolarHBondContact O-CB 3.08Å; V101-V115 PolarHBondContact O-N 2.95Å; V101-S116 PolarHBondContact N-O 2.86Å; V101-S116 PolarHBondContact O-N 3.43Å
102S90.1Very high82.1Confident18 Ų1852.7 Ų52.713%0.12625%0.254CS..EExtended strand (participates in β ladder)trans-123.7154.3179.464.90000111.4V94 W95V94-S102 WeakPolarHBondContact CA-O 3.48Å; W95-S102 PolarHBondContact N-O 3.46Å; W95-S102 PolarHBondContact O-N 3.3Å
103C89Confident81.7Confident0 Ų056.9 Ų56.90%027%0.273CS..EExtended strand (participates in β ladder)trans-139.7146-174.5178.40000111.6F11 L92 T93 V94 P112 F113 V115F11-C103 HydrophobicContact CE1-CB 4.07Å; F11-C103 WeakPolarHBondContact CE1-SG 3.41Å; F11-C103 HydrophobicContact CZ-CB 4.07Å; F11-C103 WeakPolarHBondContact CZ-SG 3.48Å; L92-C103 WeakPolarHBondContact CD1-SG 3.16Å; T93-C103 CarbonylContact O-C 3.6Å; T93-C103 WeakPolarHBondContact O-CA 3.39Å; V94-C103 HydrophobicContact CG2-CB 4.49Å; C103-P112 WeakPolarHBondContact O-CA 3.37Å; C103-F113 HydrophobicContact CB-CE1 4.11Å; C103-F113 HydrophobicContact CB-CE2 4.1Å; C103-F113 HydrophobicContact CB-CZ 3.79Å; C103-F113 PolarHBondContact N-O 3.46Å; C103-F113 WeakPolarHBondContact O-CD1 3.19Å; C103-F113 WeakPolarHBondContact O-CE1 3.31Å; C103-F113 PolarHBondContact O-N 3.3Å; C103-V115 HydrophobicContact CB-CG2 3.36Å
104R87.6Confident81.2Confident66 Ų6658.9 Ų58.925%0.24929%0.287CS..EExtended strand (participates in β ladder)trans-130.3125173.1-178.8-176.7-76153.21108.7L92 T93 W95 S110L92-R104 CarbonylContact C-O 3.56Å; L92-R104 WeakPolarHBondContact CA-O 3.36Å; T93-R104 PolarHBondContact N-O 3.47Å; T93-R104 PolarHBondContact O-N 2.94Å; W95-R104 HydrophobicContact CH2-CB 3.9Å; W95-R104 HydrophobicContact CZ3-CB 3.77Å; R104-S110 WeakPolarHBondContact CD-O 3.3Å; R104-S110 WeakPolarHBondContact CG-OG 3.4Å; R104-S110 PolarHBondContact NE-O 3.27Å
105R70.8Confident80.6Confident22 Ų2260.9 Ų60.98%0.08330%0.299CS..  trans-124.6-8.4-163.5-158.1166.9-161.3-105.2-13.9115.6Y19 P89 E91 L92 F113Y19-R105 VanDerWaalsContact CE2-CZ 3.46Å; Y19-R105 PolarHBondContact OH-NH1 3.43Å; P89-R105 HydrophobicContact CG-CG 3.99Å; E91-R105 CarbonylContact O-C 3.53Å; E91-R105 VanDerWaalsContact O-O 3.09Å; L92-R105 HydrophobicContact CD1-CB 4.23Å; L92-R105 HydrophobicContact CD1-CG 3.92Å; R105-F113 HydrophobicContact CB-CE1 4.14Å
106Y67.4Low80.1Confident181 Ų18160.3 Ų60.371%0.7130%0.303SS*.SBendtrans-131.160.1-174.7-70.5-80.1000110.9S110Y106-S110 PolarHBondContact N-OG 2.94Å; Y106-S110 VanDerWaalsContact O-CB 3.25Å; Y106-S110 WeakPolarHBondContact O-CB 3.22Å; Y106-S110 PolarHBondContact O-OG 3.07Å; Y106-S110 VanDerWaalsContact O-OG 3.1Å
107G64.6Low79.3Confident9 Ų963.5 Ų63.59%0.09332%0.322CS..  trans67.6174.1177.900000115.2E91 R109 S110E91-G107 WeakPolarHBondContact OE2-CA 3.48Å; E91-G107 PolarHBondContact OE2-N 3.32Å; G107-R109 PolarHBondContact O-N 3.47Å; G107-S110 PolarHBondContact O-N 2.82Å; G107-S110 PolarHBondContact O-OG 2.96Å
108E63.8Low78.1Confident126 Ų12665.4 Ų65.459%0.58933%0.332SS*.THydrogen-bonded Turntrans-64.6-12.6-172-63.2-178.8169.800113.3R61 N63R61-E108 IonicContact NH2-OE1 2.96Å; R61-E108 PolarHBondContact NH2-OE1 3.38Å; N63-E108 PolarHBondContact ND2-OE1 3.26Å
109R65.1Low76.6Confident251 Ų25167.1 Ų67.195%0.94734%0.34SS*.THydrogen-bonded Turntrans-91.7-9.8177-61.8-168176.6-153.8-0.9114.5G107G107-R109 PolarHBondContact O-N 3.47Å
110S70.8Confident75.1Confident25 Ų2572.2 Ų72.218%0.17537%0.372CS..SBendtrans-80.4141.5178.958.70000112R104 Y106 G107R104-S110 WeakPolarHBondContact CD-O 3.3Å; R104-S110 WeakPolarHBondContact CG-OG 3.4Å; R104-S110 PolarHBondContact NE-O 3.27Å; Y106-S110 PolarHBondContact N-OG 2.94Å; Y106-S110 VanDerWaalsContact O-CB 3.25Å; Y106-S110 WeakPolarHBondContact O-CB 3.22Å; Y106-S110 PolarHBondContact O-OG 3.07Å; Y106-S110 VanDerWaalsContact O-OG 3.1Å; G107-S110 PolarHBondContact O-N 2.82Å; G107-S110 PolarHBondContact O-OG 2.96Å
111T71.4Confident73.2Confident119 Ų11973.5 Ų73.573%0.7339%0.389SS*.PPolyproline II helixtrans-66.3137.3174.4490000109.6
112P78.3Confident71.2Confident66 Ų6683 Ų8343%0.42942%0.424SS..PPolyproline II helixtrans-65.8137.3172.529.1-29.1000108.4W95 C103W95-P112 HydrophobicContact CZ3-CB 3.88Å; C103-P112 WeakPolarHBondContact O-CA 3.37Å
113F81.5Confident69.4Low89 Ų8989 Ų8939%0.3945%0.445SS..EExtended strand (participates in β ladder)trans-112.5144.8172.466.9-89000109.5F11 C103 R105 V115F11-F113 HydrophobicContact CE2-CE2 4.22Å; F11-F113 HydrophobicContact CE2-CZ 4.19Å; F11-F113 HydrophobicContact CZ-CE2 4.45Å; F11-F113 HydrophobicContact CZ-CZ 4.03Å; C103-F113 HydrophobicContact CB-CE1 4.11Å; C103-F113 HydrophobicContact CB-CE2 4.1Å; C103-F113 HydrophobicContact CB-CZ 3.79Å; C103-F113 PolarHBondContact N-O 3.46Å; C103-F113 WeakPolarHBondContact O-CD1 3.19Å; C103-F113 WeakPolarHBondContact O-CE1 3.31Å; C103-F113 PolarHBondContact O-N 3.3Å; R105-F113 HydrophobicContact CB-CE1 4.14Å; F113-V115 HydrophobicContact CD2-CG2 4.44Å; F113-V115 HydrophobicContact CE2-CG2 3.96Å; F113-V115 PolarHBondContact O-N 2.99Å
114C81Confident67.7Low55 Ų5595.6 Ų95.637%0.37248%0.48SS..EExtended strand (participates in β ladder)trans-76128.3178.8-162.20000110.1E100 V101 V117E100-C114 PolarHBondContact OE1-SG 3.18Å; E100-C114 VanDerWaalsContact OE1-SG 3.34Å; V101-C114 PolarHBondContact O-SG 3.21Å; C114-V117 HydrophobicContact CB-CG2 4.17Å; C114-V117 WeakPolarHBondContact SG-CG2 3.15Å
115V81.8Confident66.4Low43 Ų4395.2 Ų95.226%0.26150%0.496SS..EExtended strand (participates in β ladder)trans-87.5-40.9174.1177.30000109.7F11 V101 C103 F113F11-V115 HydrophobicContact CB-CG1 3.7Å; F11-V115 HydrophobicContact CD1-CG2 4.45Å; F11-V115 HydrophobicContact CD2-CG1 3.71Å; F11-V115 HydrophobicContact CD2-CG2 4.02Å; F11-V115 HydrophobicContact CE2-CG2 4.09Å; F11-V115 HydrophobicContact CG-CG1 3.76Å; F11-V115 HydrophobicContact CG-CG2 4.21Å; F11-V115 HydrophobicContact CZ-CG2 4.35Å; V101-V115 HydrophobicContact CB-CB 4.41Å; V101-V115 HydrophobicContact CG1-CB 4.14Å; V101-V115 HydrophobicContact CG1-CG1 4.47Å; V101-V115 WeakPolarHBondContact O-CA 3.5Å; V101-V115 WeakPolarHBondContact O-CB 3.08Å; V101-V115 PolarHBondContact O-N 2.95Å; C103-V115 HydrophobicContact CB-CG2 3.36Å; F113-V115 HydrophobicContact CD2-CG2 4.44Å; F113-V115 HydrophobicContact CE2-CG2 3.96Å; F113-V115 PolarHBondContact O-N 2.99Å
116S81.4Confident66.1Low39 Ų3998.8 Ų98.827%0.27351%0.513SS..EExtended strand (participates in β ladder)trans-153.4122.9175.9-174.40000110E100 V101E100-S116 WeakPolarHBondContact CA-O 3.4Å; V101-S116 PolarHBondContact N-O 2.86Å; V101-S116 PolarHBondContact O-N 3.43Å
117V77.4Confident65.7Low67 Ų6796.3 Ų96.341%0.40651%0.507SS..EExtended strand (participates in β ladder)trans-96107.9163.2-170.40000106.7C114 D119 R123C114-V117 HydrophobicContact CB-CG2 4.17Å; C114-V117 WeakPolarHBondContact SG-CG2 3.15Å; V117-D119 HydrophobicContact CG1-CB 4.05Å; V117-D119 PolarHBondContact O-N 3.41Å; V117-R123 PolarHBondContact O-NH2 2.88Å
118L66.1Low66.2Low67 Ų6798.3 Ų98.335%0.35152%0.519SS..  trans-91.469.1170.3-169.569.6000107.4E3 E4 G99 S120E3-L118 HydrophobicContact CB-CD2 3.63Å; E3-L118 HydrophobicContact CG-CD2 4.16Å; E4-L118 HydrophobicContact CG-CD2 4.28Å; G99-L118 CarbonylContact O-C 3.41Å; G99-L118 WeakPolarHBondContact O-CA 3.49Å; G99-L118 PolarHBondContact O-N 2.89Å; L118-S120 PolarHBondContact O-N 3.36Å; L118-S120 VanDerWaalsContact O-N 3.1Å
119D56.8Low66.8Low55 Ų55100 Ų10029%0.29452%0.52SS..  trans-67.7109.8174.8-157.5-29.9000107.9V117 C121 R122V117-D119 HydrophobicContact CG1-CB 4.05Å; V117-D119 PolarHBondContact O-N 3.41Å; D119-C121 PolarHBondContact O-N 3.2Å; D119-C121 VanDerWaalsContact O-N 3.13Å; D119-C121 WeakPolarHBondContact OD1-CA 3.36Å; D119-C121 WeakPolarHBondContact OD1-CB 3.46Å; D119-C121 PolarHBondContact OD1-N 3.41Å; D119-R122 HydrophobicContact CB-CB 3.77Å; D119-R122 HydrophobicContact CB-CG 4.42Å; D119-R122 VanDerWaalsContact CG-CB 3.48Å; D119-R122 PolarHBondContact OD1-N 2.71Å; D119-R122 WeakPolarHBondContact OD2-CB 3.07Å; D119-R122 WeakPolarHBondContact OD2-CD 3.17Å; D119-R122 WeakPolarHBondContact OD2-CG 2.93Å; D119-R122 IonicContact OD2-NE 2.9Å
120S52.1Low67.4Low132 Ų13295.2 Ų95.292%0.92350%0.502SS*.SBendtrans-67.8-1.4170.656.60000112.3L118L118-S120 PolarHBondContact O-N 3.36Å; L118-S120 VanDerWaalsContact O-N 3.1Å
121C48.5Very low67.8Low112 Ų11297.9 Ų97.976%0.75751%0.514SS*.SBendtrans-121.5-12.9-178.1-1550000114.8D119D119-C121 PolarHBondContact O-N 3.2Å; D119-C121 VanDerWaalsContact O-N 3.13Å; D119-C121 WeakPolarHBondContact OD1-CA 3.36Å; D119-C121 WeakPolarHBondContact OD1-CB 3.46Å; D119-C121 PolarHBondContact OD1-N 3.41Å
122R50.9Low68.2Low200 Ų20098.3 Ų98.376%0.75551%0.507SS*.SBendtrans-101.7-0.1-172.2-81.1-169.4172.5-96.5-7.9119.4D119D119-R122 HydrophobicContact CB-CB 3.77Å; D119-R122 HydrophobicContact CB-CG 4.42Å; D119-R122 VanDerWaalsContact CG-CB 3.48Å; D119-R122 PolarHBondContact OD1-N 2.71Å; D119-R122 WeakPolarHBondContact OD2-CB 3.07Å; D119-R122 WeakPolarHBondContact OD2-CD 3.17Å; D119-R122 WeakPolarHBondContact OD2-CG 2.93Å; D119-R122 IonicContact OD2-NE 2.9Å
123R51.8Low68.5Low146 Ų14699.6 Ų99.655%0.55151%0.508SS*.SBendtrans-142.540.1-175.1-74.2-162.8-64.2-99.9-6.6117V117V117-R123 PolarHBondContact O-NH2 2.88Å
124D52.8Low68.6Low138 Ų13898 Ų9874%0.73851%0.511SS*.SBendtrans-92.3-21.7167.2-139.65.2000113.2S128D124-S128 WeakPolarHBondContact O-CB 3.32Å; D124-S128 PolarHBondContact O-OG 2.94Å
125G60Low68.8Low57 Ų5799.2 Ų99.259%0.58852%0.516SS*.SBendtrans-88.1-48.5-178.100000114.8R129G125-R129 VanDerWaalsContact O-CB 3.26Å; G125-R129 WeakPolarHBondContact O-CB 3.4Å; G125-R129 PolarHBondContact O-N 2.84Å; G125-R129 VanDerWaalsContact O-N 3.14Å
126E65.3Low68.7Low97 Ų97101.9 Ų101.945%0.45353%0.526SS..Hα-helixtrans-82.7-38.7-169.7-167.9-178.7-168.100113.3R129 R130E126-R129 PolarHBondContact O-N 3.06Å; E126-R130 WeakPolarHBondContact O-CG 3.26Å; E126-R130 PolarHBondContact O-N 3.47Å; E126-R130 VanDerWaalsContact O-N 3.08Å; E126-R130 IonicContact OE1-CZ 3.5Å; E126-R130 IonicContact OE1-NE 3.73Å; E126-R130 IonicContact OE1-NH2 2.68Å; E126-R130 PolarHBondContact OE1-NH2 2.85Å
127F58.1Low68.7Low129 Ų129106.6 Ų106.657%0.56654%0.538SS*.Hα-helixtrans-68.6-45.4177.5-176.5-113000110.9R129 R130 I131F127-R129 VanDerWaalsContact C-N 3.33Å; F127-R129 PolarHBondContact O-N 2.94Å; F127-R130 PolarHBondContact O-N 2.82Å; F127-I131 HydrophobicContact CD1-CD1 3.61Å; F127-I131 HydrophobicContact CD2-CD1 4.49Å; F127-I131 HydrophobicContact CE1-CD1 3.28Å; F127-I131 HydrophobicContact CE1-CG1 4.41Å; F127-I131 HydrophobicContact CE2-CD1 4.21Å; F127-I131 HydrophobicContact CG-CD1 4.22Å; F127-I131 HydrophobicContact CZ-CD1 3.62Å; F127-I131 HydrophobicContact CZ-CG1 4.4Å; F127-I131 WeakPolarHBondContact O-CG1 3.39Å; F127-I131 PolarHBondContact O-N 3.26Å
128S74.5Confident68.6Low51 Ų51105.9 Ų105.936%0.35754%0.539SS..Hα-helixtrans-61-39.6174.3-54.80000112.3D124 I131 H132D124-S128 WeakPolarHBondContact O-CB 3.32Å; D124-S128 PolarHBondContact O-OG 2.94Å; S128-I131 PolarHBondContact O-N 3.23Å; S128-H132 WeakPolarHBondContact O-CB 3.35Å; S128-H132 PolarHBondContact O-N 3.41Å
129R76.6Confident69Low162 Ų162105.4 Ų105.461%0.61154%0.541SS*.Hα-helixtrans-62-44.5173.8-17017973.4171.82.5112G125 E126 F127 H132 E133G125-R129 VanDerWaalsContact O-CB 3.26Å; G125-R129 WeakPolarHBondContact O-CB 3.4Å; G125-R129 PolarHBondContact O-N 2.84Å; G125-R129 VanDerWaalsContact O-N 3.14Å; E126-R129 PolarHBondContact O-N 3.06Å; F127-R129 VanDerWaalsContact C-N 3.33Å; F127-R129 PolarHBondContact O-N 2.94Å; R129-H132 PolarHBondContact O-N 3.12Å; R129-E133 WeakPolarHBondContact O-CB 3.35Å; R129-E133 PolarHBondContact O-N 3.2Å
130R78.4Confident69.1Low150 Ų150107.6 Ų107.657%0.56655%0.552SS**Hα-helixtrans-66.6-35.7178.6-71.3175-171.3-173.23.3112.5E126 F127 A134E126-R130 WeakPolarHBondContact O-CG 3.26Å; E126-R130 PolarHBondContact O-N 3.47Å; E126-R130 VanDerWaalsContact O-N 3.08Å; E126-R130 IonicContact OE1-CZ 3.5Å; E126-R130 IonicContact OE1-NE 3.73Å; E126-R130 IonicContact OE1-NH2 2.68Å; E126-R130 PolarHBondContact OE1-NH2 2.85Å; F127-R130 PolarHBondContact O-N 2.82Å; R130-A134 WeakPolarHBondContact O-CB 3.44Å; R130-A134 PolarHBondContact O-N 3.48Å; R130-A134 VanDerWaalsContact O-N 3.14Å
131I78.8Confident69.4Low82 Ų82107.3 Ų107.342%0.42154%0.54SS..Hα-helixtrans-67.3-48.6174.3-68.4167.9000110.4F127 S128 E133 A134 V135F127-I131 HydrophobicContact CD1-CD1 3.61Å; F127-I131 HydrophobicContact CD2-CD1 4.49Å; F127-I131 HydrophobicContact CE1-CD1 3.28Å; F127-I131 HydrophobicContact CE1-CG1 4.41Å; F127-I131 HydrophobicContact CE2-CD1 4.21Å; F127-I131 HydrophobicContact CG-CD1 4.22Å; F127-I131 HydrophobicContact CZ-CD1 3.62Å; F127-I131 HydrophobicContact CZ-CG1 4.4Å; F127-I131 WeakPolarHBondContact O-CG1 3.39Å; F127-I131 PolarHBondContact O-N 3.26Å; S128-I131 PolarHBondContact O-N 3.23Å; I131-E133 VanDerWaalsContact C-N 3.3Å; I131-E133 PolarHBondContact O-N 3.35Å; I131-A134 PolarHBondContact O-N 2.97Å; I131-A134 VanDerWaalsContact O-N 3.15Å; I131-V135 HydrophobicContact CG2-CG2 4.3Å; I131-V135 WeakPolarHBondContact O-CG2 3.12Å; I131-V135 PolarHBondContact O-N 3.43Å
132H80.4Confident69.8Low127 Ų127108.6 Ų108.659%0.58854%0.538SS*.Hα-helixtrans-60.5-41.1-179.9-166.175.1000111.7S128 R129 A134 V135 E136S128-H132 WeakPolarHBondContact O-CB 3.35Å; S128-H132 PolarHBondContact O-N 3.41Å; R129-H132 PolarHBondContact O-N 3.12Å; H132-A134 VanDerWaalsContact C-N 3.34Å; H132-A134 PolarHBondContact O-N 3.3Å; H132-V135 PolarHBondContact O-N 3.22Å; H132-E136 WeakPolarHBondContact O-CB 3.36Å; H132-E136 PolarHBondContact O-N 2.63Å
133E85.3Confident70Confident94 Ų94107 Ų10744%0.43954%0.54SS..Hα-helixtrans-66.8-33176.7-156.8-161.4141.200113.2R129 I131 R137R129-E133 WeakPolarHBondContact O-CB 3.35Å; R129-E133 PolarHBondContact O-N 3.2Å; I131-E133 VanDerWaalsContact C-N 3.3Å; I131-E133 PolarHBondContact O-N 3.35Å; E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.33Å; E133-R137 PolarHBondContact O-N 3.48Å; E133-R137 VanDerWaalsContact O-N 3.14Å; E133-R137 PolarHBondContact O-NH1 3.08Å; E133-R137 IonicContact OE1-CZ 3.42Å; E133-R137 IonicContact OE1-NH1 3.01Å; E133-R137 PolarHBondContact OE1-NH1 3.47Å; E133-R137 IonicContact OE1-NH2 2.83Å; E133-R137 PolarHBondContact OE1-NH2 3.17Å
134A82.1Confident69.8Low55 Ų55105.5 Ų105.546%0.45555%0.551SS.*Hα-helixtrans-72.7-38.6174.500000111.8R130 I131 H132 A138R130-A134 WeakPolarHBondContact O-CB 3.44Å; R130-A134 PolarHBondContact O-N 3.48Å; R130-A134 VanDerWaalsContact O-N 3.14Å; I131-A134 PolarHBondContact O-N 2.97Å; I131-A134 VanDerWaalsContact O-N 3.15Å; H132-A134 VanDerWaalsContact C-N 3.34Å; H132-A134 PolarHBondContact O-N 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.3Å; A134-A138 PolarHBondContact O-N 2.98Å
135V84.8Confident69.4Low81 Ų81102.3 Ų102.349%0.49155%0.551SS.*Hα-helixtrans-67.2-44.2176.4172.20000111.3I131 H132 A138 S139I131-V135 HydrophobicContact CG2-CG2 4.3Å; I131-V135 WeakPolarHBondContact O-CG2 3.12Å; I131-V135 PolarHBondContact O-N 3.43Å; H132-V135 PolarHBondContact O-N 3.22Å; V135-A138 PolarHBondContact O-N 3.49Å; V135-S139 WeakPolarHBondContact O-CB 3.33Å; V135-S139 PolarHBondContact O-N 2.86Å; V135-S139 PolarHBondContact O-OG 3.24Å
136E80.3Confident68.5Low99 Ų99105.4 Ų105.446%0.46356%0.563SS.*Hα-helixtrans-58.6-48.3173.6-89.2-71.4141.500111.5H132 A138 S139 L140H132-E136 WeakPolarHBondContact O-CB 3.36Å; H132-E136 PolarHBondContact O-N 2.63Å; E136-A138 PolarHBondContact O-N 3.1Å; E136-S139 PolarHBondContact O-N 3.31Å; E136-S139 VanDerWaalsContact O-N 3.11Å; E136-L140 WeakPolarHBondContact O-CG 3.45Å; E136-L140 PolarHBondContact O-N 3.42Å
137R82Confident67.4Low137 Ų137106.4 Ų106.452%0.51758%0.581SS.*Hα-helixtrans-62.2-42.3178.9-167.4177-83.699.9-11.1112E133 S139 L140 D141E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.33Å; E133-R137 PolarHBondContact O-N 3.48Å; E133-R137 VanDerWaalsContact O-N 3.14Å; E133-R137 PolarHBondContact O-NH1 3.08Å; E133-R137 IonicContact OE1-CZ 3.42Å; E133-R137 IonicContact OE1-NH1 3.01Å; E133-R137 PolarHBondContact OE1-NH1 3.47Å; E133-R137 IonicContact OE1-NH2 2.83Å; E133-R137 PolarHBondContact OE1-NH2 3.17Å; R137-S139 VanDerWaalsContact C-N 3.32Å; R137-S139 PolarHBondContact O-N 2.88Å; R137-L140 PolarHBondContact O-N 3.13Å; R137-D141 PolarHBondContact O-N 2.68Å
138A75.6Confident66.6Low53 Ų53104.9 Ų104.944%0.43859%0.586SS.*Hα-helixtrans-68.3-28.1174.900000113.7A134 V135 E136A134-A138 WeakPolarHBondContact O-CB 3.3Å; A134-A138 PolarHBondContact O-N 2.98Å; V135-A138 PolarHBondContact O-N 3.49Å; E136-A138 PolarHBondContact O-N 3.1Å
139S73.6Confident64.7Low56 Ų56108.8 Ų108.839%0.39260%0.603SS.*Hα-helixtrans-76.2-34178.1-56.90000111.8V135 E136 R137 D141 I142V135-S139 WeakPolarHBondContact O-CB 3.33Å; V135-S139 PolarHBondContact O-N 2.86Å; V135-S139 PolarHBondContact O-OG 3.24Å; E136-S139 PolarHBondContact O-N 3.31Å; E136-S139 VanDerWaalsContact O-N 3.11Å; R137-S139 VanDerWaalsContact C-N 3.32Å; R137-S139 PolarHBondContact O-N 2.88Å; S139-D141 VanDerWaalsContact C-N 3.3Å; S139-D141 PolarHBondContact O-N 3.14Å; S139-I142 PolarHBondContact O-N 3.43Å
140L60.1Low63.2Low102 Ų102107.6 Ų107.653%0.53461%0.605SS.*Hα-helixtrans-69.3-28.3176.2-67.5170.3000112.5E136 R137 I142E136-L140 WeakPolarHBondContact O-CG 3.45Å; E136-L140 PolarHBondContact O-N 3.42Å; R137-L140 PolarHBondContact O-N 3.13Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 3.5Å
141D57Low61.2Low125 Ų125108.4 Ų108.467%0.66862%0.615SS**THydrogen-bonded Turntrans-73.5-19.5177.8-68.6-25.8000113.1R137 S139R137-D141 PolarHBondContact O-N 2.68Å; S139-D141 VanDerWaalsContact C-N 3.3Å; S139-D141 PolarHBondContact O-N 3.14Å
142I57.3Low59.2Low140 Ų140109.6 Ų109.672%0.71862%0.622SS**THydrogen-bonded Turntrans-87.9-27.3-179.7-64.1173.5000112.1S139 L140S139-I142 PolarHBondContact O-N 3.43Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 3.5Å
143Q56.2Low57.1Low167 Ų167111.6 Ų111.678%0.7863%0.629SS**THydrogen-bonded Turntrans-84.1-7.1-176.8-82.2175.4-14.300114.9
144S46.8Very low54.8Low114 Ų114114.1 Ų114.180%0.79765%0.646SS**THydrogen-bonded Turntrans-93.93.2178.4-61.80000114.4
145G45.2Very low52.9Low71 Ų71119 Ų11973%0.73266%0.661SS**SBendtrans-109.45.3-170.700000117.4
146S40.9Very low50.4Low121 Ų121120.4 Ų120.485%0.84667%0.666SS**  trans-121.577.9-178-170.30000112
147S42Very low48.2Very low119 Ų119123.1 Ų123.183%0.83268%0.676SS**  trans-116.8102.4162.5172.30000108.5
148S40.1Very low45.9Very low96 Ų96121.3 Ų121.367%0.67168%0.68SS**  trans14.3124.3152.8-160.60000119.1
149D35.1Very low43.9Very low133 Ų133126.4 Ų126.471%0.71170%0.697SS**  -176.5132.8109.8-11016.4000114.9
150E44.9Very low42.1Very low137 Ų137128.9 Ų128.964%0.6471%0.714SS**  trans68.4127.3141.4-55.5-49.7150.200125
151E37.8Very low40.8Very low167 Ų167129 Ų12978%0.7872%0.724SS**  trans70.1147136.4-69.2179.516100120.3
152D35.3Very low39.7Very low107 Ų107130.2 Ų130.257%0.57273%0.73SS**  cis-178.5141.5-19.7-156.12.1000104.8
153K36.7Very low38.6Very low170 Ų170128 Ų12874%0.73973%0.727SS**  trans56.9158.4157.4-67.2156-171.6148.10119.1
154D36.3Very low37.5Very low146 Ų146125 Ų12578%0.78173%0.725SS**  cis-157.4162.710.9-142.7-44.6000109.4
155M42.2Very low36.8Very low158 Ų158130.4 Ų130.478%0.77873%0.728SS**  trans-86.5144.7177.3-178.5114.66400110.2
156D32.4Very low36.1Very low111 Ų111131.7 Ų131.759%0.59473%0.725SS**  167.4134115.7-124.2-16000114.7
157K35.8Very low35.7Very low156 Ų156133.8 Ų133.868%0.67873%0.726SS**  63.3133.4129.4-94.4174.3-151.7130.70125.5
158T31.9Very low35.4Very low98 Ų98134 Ų13460%0.60173%0.727SS**  88.9111.6128.840.90000122.9
159M35.4Very low35.1Very low160 Ų160133 Ų13379%0.78873%0.733SS**  trans41.5134.7130.5-5.9-69-174.800124.2
160S33.9Very low35.4Very low108 Ų108132.8 Ų132.876%0.75574%0.739SS**  trans84.6110.8131.5-620000121.5
161S32.8Very low34.7Very low105 Ų105132.1 Ų132.173%0.73475%0.748SS**  47115.2124.4-42.50000120.7
162N34.6Very low34.6Very low151 Ų151129.8 Ų129.881%0.80775%0.747SS**  166.1136.799.6-105.75.1000113.3
163S34.3Very low34.5Very low94 Ų94130.3 Ų130.366%0.65776%0.759SS**  trans45115.3134.9-59.30000122.4
164S32.7Very low34.4Very low104 Ų104127.6 Ų127.673%0.72776%0.757SS**  90.3133.4115.774.70000121.2
165R31.7Very low34.3Very low226 Ų226124.5 Ų124.585%0.85376%0.759SS**  trans113.4120.3139.6-52.8-174.188.3170.13.2118
166S31.7Very low34.1Very low98 Ų98126.6 Ų126.669%0.68576%0.764SS**  trans78.8108.5138.545.30000121.9
167L33.1Very low34.6Very low166 Ų166128.2 Ų128.287%0.86977%0.768SS**  54.2114.1120.2-60.6165.4000118.6
168S34.3Very low35.2Very low122 Ų122125.9 Ų125.985%0.85377%0.769SS**  169.1124.1112.845.70000113.5
169G34.5Very low36Very low76 Ų76130.5 Ų130.578%0.78478%0.781SS**  trans78.6165.4141.700000119.2
170P40.4Very low37Very low128 Ų128128.8 Ų128.883%0.83178%0.78SS**  -112157.3-111.334.8-28.7000115.7
171C30.4Very low37.8Very low124 Ų124130.6 Ų130.684%0.83878%0.78SS**PPolyproline II helixtrans-58.1135.7170.8-52.50000112.6
172P37Very low38.6Very low117 Ų117130.8 Ų130.876%0.7678%0.778SS**PPolyproline II helixtrans-91.5119.3156.427-17.8000110.2
173S33.1Very low39.9Very low119 Ų119129.7 Ų129.783%0.83278%0.777SS**PPolyproline II helixtrans-60.2123.5158.950.50000110.3
174T34.6Very low40.7Very low113 Ų113132.7 Ų132.769%0.69378%0.784SS**  trans-121.6119.3160.547.20000108.7
175G32.6Very low42.2Very low80 Ų80134.7 Ų134.783%0.82579%0.785SS**  trans-65.5136.8179.400000111.4E177G175-E177 PolarHBondContact O-N 3.19Å
176F38.4Very low44Very low202 Ų202128.5 Ų128.589%0.88677%0.769SS**  trans-91.695.7165.9-71.4-79.4000108.2
177E44.6Very low45.6Very low145 Ų145129 Ų12968%0.67877%0.77SS**  trans-73128.8163.4-172.1-107160.900108.3G175 K179G175-E177 PolarHBondContact O-N 3.19Å; E177-K179 PolarHBondContact O-N 2.95Å; E177-K179 VanDerWaalsContact O-N 3.17Å
178P48.2Very low46.8Very low107 Ų107127.6 Ų127.670%0.69576%0.763SS**  trans-73109.1179.126.7-31.3000110.3T180P178-T180 PolarHBondContact O-N 3.08Å; P178-T180 VanDerWaalsContact O-N 3.15Å
179K47.4Very low48.2Very low195 Ų195124.5 Ų124.585%0.84874%0.742SS**PPolyproline II helixtrans-55.5116.7173.5-75.9168.1178.5167.90110.7E177E177-K179 PolarHBondContact O-N 2.95Å; E177-K179 VanDerWaalsContact O-N 3.17Å
180T56.1Low48.9Very low124 Ų124128.8 Ų128.876%0.76175%0.745SS**PPolyproline II helixtrans-74.4136.2-179.8-61.50000111P178P178-T180 PolarHBondContact O-N 3.08Å; P178-T180 VanDerWaalsContact O-N 3.15Å
181I52.2Low49.3Very low147 Ų147132.9 Ų132.975%0.75475%0.745SS**PPolyproline II helixtrans-69.5131.6177.4-58.4167.9000108.9T183I181-T183 PolarHBondContact O-N 2.96Å
182P49Very low50.4Low108 Ų108137 Ų13770%0.70174%0.743SS**PPolyproline II helixtrans-66.1122179.125.3-32.3000110.9I184P182-I184 PolarHBondContact O-N 3.14Å; P182-I184 VanDerWaalsContact O-N 3.15Å
183T62.1Low50.5Low129 Ų129138.9 Ų138.979%0.79175%0.746SS**  trans-72.4105.2177.2-380000109.6I181 I185I181-T183 PolarHBondContact O-N 2.96Å; T183-I185 PolarHBondContact O-N 3.42Å
184I51Low50.9Low157 Ų157138.3 Ų138.381%0.80574%0.742SS**  trans-75.5108.7173.9-56.2173.5000107.9P182 N186P182-I184 PolarHBondContact O-N 3.14Å; P182-I184 VanDerWaalsContact O-N 3.15Å; I184-N186 PolarHBondContact O-N 2.83Å
185I63.8Low51.4Low146 Ų146140.4 Ų140.475%0.74974%0.744SS**  trans-80.4109.9174.3-60.7173.9000107.9T183 P187T183-I185 PolarHBondContact O-N 3.42Å; I185-P187 VanDerWaalsContact O-CD 3.3Å; I185-P187 WeakPolarHBondContact O-CD 3.38Å
186N68.7Low51.7Low95 Ų95146.2 Ų146.251%0.50875%0.747SS.*  trans-82.9112.9171.3-178.3-2.9000109.6I184 N188 S189I184-N186 PolarHBondContact O-N 2.83Å; N186-N188 PolarHBondContact O-N 3.01Å; N186-N188 VanDerWaalsContact O-N 3.12Å; N186-N188 PolarHBondContact OD1-N 3.19Å; N186-S189 PolarHBondContact O-N 2.96Å; N186-S189 VanDerWaalsContact O-N 3.11Å
187P65.5Low51.4Low109 Ų109142 Ų14271%0.70874%0.742SS**THydrogen-bonded Turntrans-65.9-12179.726.7-33.8000113.9I185I185-P187 VanDerWaalsContact O-CD 3.3Å; I185-P187 WeakPolarHBondContact O-CD 3.38Å
188N59.2Low51.2Low137 Ų137141.3 Ų141.373%0.73375%0.751SS**THydrogen-bonded Turntrans-102.316175.4-66.4-52.4000113.6N186 I190N186-N188 PolarHBondContact O-N 3.01Å; N186-N188 VanDerWaalsContact O-N 3.12Å; N186-N188 PolarHBondContact OD1-N 3.19Å; N188-I190 PolarHBondContact O-N 3.46Å
189S63Low51.3Low57 Ų57139.8 Ų139.840%0.39975%0.754SS.*  trans-67.7117.1173.9-175.50000110.6N186 Y191N186-S189 PolarHBondContact O-N 2.96Å; N186-S189 VanDerWaalsContact O-N 3.11Å; S189-Y191 PolarHBondContact O-N 2.76Å; S189-Y191 PolarHBondContact OG-N 2.91Å
190I49.6Very low50.8Low166 Ų166134.8 Ų134.885%0.85175%0.749SS**SBendtrans-65.9-12.4173.6-59.5171.7000111.2N188 R192N188-I190 PolarHBondContact O-N 3.46Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 3.14Å
191Y49.6Very low50.2Low213 Ų213134.5 Ų134.584%0.83575%0.75SS**  trans-92.543.1175.6-62.2-79.8000112.8S189 L193S189-Y191 PolarHBondContact O-N 2.76Å; S189-Y191 PolarHBondContact OG-N 2.91Å; Y191-L193 PolarHBondContact O-N 3.38Å; Y191-L193 VanDerWaalsContact O-N 3.13Å
192R52Low49.8Very low211 Ų211135.5 Ų135.580%0.79675%0.751SS**  trans-77.698.2165.1-155.7176.1-170.9127.7-0.2107.5I190 S194I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 3.14Å; R192-S194 PolarHBondContact O-N 3.38Å
193L39.7Very low49.7Very low156 Ų156135.1 Ų135.182%0.81775%0.747SS**  trans-65.898171.8-143.592.6000107.5Y191 E195Y191-L193 PolarHBondContact O-N 3.38Å; Y191-L193 VanDerWaalsContact O-N 3.13Å; L193-E195 PolarHBondContact O-N 2.93Å; L193-E195 VanDerWaalsContact O-N 3.13Å
194S40.9Very low48.6Very low108 Ų108140.8 Ų140.876%0.75575%0.754SS**  trans-71.799.6167.2-74.90000108.3R192R192-S194 PolarHBondContact O-N 3.38Å
195E45.5Very low48Very low157 Ų157138.9 Ų138.973%0.73475%0.749SS**  trans-63.6138.2156.9-72179.5158.200108.8L193L193-E195 PolarHBondContact O-N 2.93Å; L193-E195 VanDerWaalsContact O-N 3.13Å
196F39.4Very low46.8Very low201 Ų201141.8 Ų141.888%0.88275%0.751SS**  trans76.584.4179.4-66.6-88.3000117.5
197S32.7Very low45.1Very low113 Ų113147.2 Ų147.279%0.7977%0.773SS**  trans-124.5118.7142.7-174.80000108.9G199S197-G199 PolarHBondContact O-N 3.31Å
198P39.5Very low43.8Very low132 Ų132150 Ų15086%0.85777%0.774SS**  trans-8497.4177.231.9-27.5000108.9
199G51.2Low43Very low74 Ų74155 Ų15576%0.76378%0.783SS**  trans157.656.617300000116.8S197S197-G199 PolarHBondContact O-N 3.31Å
200A35.2Very low41.6Very low90 Ų90160.6 Ų160.674%0.74480%0.8SS**  trans-143.8132.2162.400000111.6Q202A200-Q202 PolarHBondContact O-N 3.15Å
201P44.1Very low41Very low119 Ų119156 Ų15677%0.77379%0.793SS**  trans-75.7122.9-16827.5-32.1000113.1T203P201-T203 PolarHBondContact O-N 2.9Å
202Q43.3Very low40.2Very low167 Ų167154.3 Ų154.378%0.7879%0.79SS**  trans-67.691.9163.3-87.3-82.8-21.100109.5A200A200-Q202 PolarHBondContact O-N 3.15Å
203T46.9Very low39.7Very low100 Ų100149.9 Ų149.961%0.61379%0.789SS**  trans-118.8154.4153.757.90000105.8P201P201-T203 PolarHBondContact O-N 2.9Å
204W39.7Very low39.4Very low248 Ų248146 Ų14694%0.93979%0.787SS**SBendtrans87.933.9-173.3-50.778.5000116.7
205V39.2Very low38.9Very low117 Ų117150.7 Ų150.771%0.70980%0.797SS**  trans-141.393.1150.6-173.70000110.5
206R37.9Very low38.3Very low208 Ų208147.1 Ų147.179%0.78579%0.794SS**  trans158.1103.1144.4-93.6-161.4-174.7-89.33.7110.7
207E32.4Very low37.8Very low208 Ų208146.9 Ų146.997%0.97279%0.793SS**  trans-94.497.7147.7-100.3-177.3148.900108.1
208K38.8Very low37.8Very low167 Ų167147.5 Ų147.573%0.72680%0.797SS**  trans-93.2118.7169.2-158.1-170.7-178.1-174.30107.4K210K208-K210 PolarHBondContact O-N 2.88Å
209R41.6Very low37.3Very low244 Ų244146.8 Ų146.892%0.92180%0.796SS**  trans-40.8123.9167-175-179.2-70.3167.2-2.9110.5
210K35.2Very low36.3Very low174 Ų174147.4 Ų147.476%0.75779%0.794SS**  trans-117.3112.3175.7-146.7171.9-175.4-177.40108.3K208 F212K208-K210 PolarHBondContact O-N 2.88Å; K210-F212 HydrophobicContact CD-CE2 4.05Å; K210-F212 HydrophobicContact CG-CE2 4.17Å
211G37.2Very low36Very low69 Ų69150.2 Ų150.271%0.71180%0.802SS**  trans-82.6153.4165.200000110.3
212F32.2Very low35.2Very low177 Ų177148 Ų14878%0.77680%0.801SS**  trans-133152.5165.6-93.6-83.9000109.7K210K210-F212 HydrophobicContact CD-CE2 4.05Å; K210-F212 HydrophobicContact CG-CE2 4.17Å
213P40.3Very low34.4Very low119 Ų119146.1 Ų146.177%0.77380%0.804SS**  trans-85.7166.7-158.236.6-34.1000112.7
214G33.3Very low34.3Very low75 Ų75146.8 Ų146.877%0.77381%0.811SS**  trans-85.6171.9-171.700000116
215E30.9Very low33.8Very low206 Ų206142.8 Ų142.896%0.96381%0.807SS**  trans-151.9150.5147.1-118.7179.7-178.600108.8
216A32.4Very low33.3Very low81 Ų81141.3 Ų141.367%0.66980%0.801SS**  trans-109.8155.5-157.600000113
217F29.5Very low33Very low196 Ų196138.8 Ų138.886%0.8680%0.799SS**  trans55.2123.8158.1-68.9-79.1000120.7
218S32.3Very low32.9Very low126 Ų126137.8 Ų137.888%0.88179%0.791SS**  -171.6133.3105.8-75.20000112
219S30Very low32.4Very low117 Ų117133.9 Ų133.982%0.81879%0.785SS**  trans-87156.4171.7-74.90000111.7
220A30Very low31.9Very low88 Ų88128.8 Ų128.873%0.72778%0.776SS**  trans107127.6138.800000119.7
221T28.6Very low31.9Very low148 Ų148128.9 Ų128.991%0.90878%0.779SS**  trans82.5126.5141.3-2.10000120.9
222G28Very low31.8Very low73 Ų73135.4 Ų135.475%0.75379%0.788SS**  trans127.888.9142.900000117.9
223C26.2Very low31.8Very low127 Ų127130.5 Ų130.586%0.85879%0.788SS**  trans-74167.1143.6-880000109.1
224P44.3Very low31.6Very low115 Ų115134.6 Ų134.675%0.74779%0.794SS**  cis-146.117622.638.9-17000118.7
225L28.8Very low31.8Very low164 Ų164141 Ų14186%0.85980%0.8SS**  trans106.6127.2131.5-145.172.6000122.3
226S30.5Very low31.9Very low85 Ų85136.2 Ų136.259%0.59479%0.789SS**  trans75134.7143.3157.80000117.9
227Q31.4Very low32.1Very low155 Ų155140.5 Ų140.572%0.72480%0.801SS**  cis-174.9149.721-115.8170.8-2.900109.7
228F28.9Very low32.7Very low187 Ų187141.3 Ų141.382%0.8280%0.798SS**  trans53.6144.9153.5-68.2-71.8000120.2
229S29.4Very low33.1Very low85 Ų85141.2 Ų141.259%0.59480%0.795SS**  cis-165.1164.94.368.70000110.3
230N31Very low33.6Very low138 Ų138140.1 Ų140.174%0.73878%0.783SS**  trans67.799.4152.8-65.8-42000119.6
231Q34Very low34.3Very low175 Ų175145 Ų14582%0.81879%0.788SS**  62.798.380.2-67.6-77.7-8.600115
232K35.9Very low35Very low207 Ų207145.1 Ų145.190%0.978%0.782SS**  trans-160.7129.7134.8-112.2168.5-175.4178.60110.8
233G32.5Very low35.6Very low74 Ų74147.4 Ų147.476%0.76377%0.771SS**  trans-76.3140.6-157.800000116.9
234F35.7Very low36.8Very low205 Ų205146 Ų14690%0.89977%0.769SS**  trans-97.4114.9152.6-78.8-86.3000108S236F234-S236 PolarHBondContact O-N 3.46Å
235K37.4Very low37.5Very low210 Ų210142.2 Ų142.291%0.91375%0.75SS**  trans-78.198.4169.1-70.5-177.2179179.60108.3
236S33.1Very low38.3Very low105 Ų105140.1 Ų140.173%0.73475%0.747SS**  trans-84.4118.1161.251.70000108.5F234 R238F234-S236 PolarHBondContact O-N 3.46Å; S236-R238 PolarHBondContact O-N 3.11Å
237N36.5Very low39.2Very low170 Ų170145.5 Ų145.591%0.90975%0.754SS**  trans-68.5102.4168.6-89.1-43.2000108.5
238R42Very low40.1Very low213 Ų213143.9 Ų143.980%0.80476%0.755SS**  trans-102.5114.7168-138.5-169.9-161.2-161.45.9107.6S236 T240S236-R238 PolarHBondContact O-N 3.11Å; R238-T240 PolarHBondContact O-N 3.38Å
239P41.5Very low40.9Very low125 Ų125141.3 Ų141.381%0.81275%0.749SS**  trans-83.9102.3157.122.5-10.2000107.5F241P239-F241 PolarHBondContact O-N 3.41Å
240T40.4Very low42Very low93 Ų93142.4 Ų142.457%0.57174%0.743SS**  trans-75.8106.5165.2-57.30000107.8R238R238-T240 PolarHBondContact O-N 3.38Å
241F44Very low42.8Very low191 Ų191140.7 Ų140.784%0.83873%0.727SS**  trans-138.191.8156-125.3-88.7000108.4P239 F243P239-F241 PolarHBondContact O-N 3.41Å; F241-F243 PolarHBondContact O-N 2.71Å
242I42.8Very low43.6Very low151 Ų151140.5 Ų140.577%0.77473%0.726SS**  trans-81.896.7168.8-58.2176.2000105.8
243F41.4Very low44.2Very low121 Ų121140.7 Ų140.753%0.53172%0.721SS.*  trans-93.797162.6-172.8-95.4000107.3F241F241-F243 PolarHBondContact O-N 2.71Å
244A50.5Low45Very low97 Ų97142.7 Ų142.780%0.80272%0.718SS**  trans-85.7100.2168.900000108.2
245G59.1Low45.3Very low35 Ų35136.8 Ų136.836%0.36170%0.703SS.*SBendtrans-176.6150174.400000110.2R247G245-R247 PolarHBondContact O-N 3.03Å; G245-R247 VanDerWaalsContact O-N 3.12Å
246P47Very low45.8Very low121 Ų121136.5 Ų136.579%0.78670%0.701SS**  trans-64.4115.4-177.1-12.926.7000109.6V248P246-V248 PolarHBondContact O-N 3.39Å
247R48.1Very low46.5Very low198 Ų198136.4 Ų136.475%0.74770%0.701SS**  trans-78.9101.9174.1-80.2-171.7168.991-2.5109G245 D249G245-R247 PolarHBondContact O-N 3.03Å; G245-R247 VanDerWaalsContact O-N 3.12Å; R247-D249 PolarHBondContact O-N 3.48Å
248V51.5Low47Very low121 Ų121140.3 Ų140.373%0.73370%0.703SS**  trans-82.6107.6175.9-175.60000109.8P246P246-V248 PolarHBondContact O-N 3.39Å
249D44.7Very low47.3Very low132 Ų132139.4 Ų139.471%0.70673%0.729SS**  trans65.3152.7135.1-140.31.8000123.4R247 Y251R247-D249 PolarHBondContact O-N 3.48Å; D249-Y251 PolarHBondContact O-N 3.46Å
250K52.6Low47.6Very low108 Ų108140.2 Ų140.247%0.4773%0.725SS.*SBendtrans-79.15.7-152.1-177.5175.4170.4-179.80117.5
251Y47.2Very low48Very low103 Ų103142.6 Ų142.640%0.40473%0.733SS.*  trans-143.663.6-172.4-60.4-71.4000115.4Y57 D249 W253Y57-Y251 HydrophobicContact CD2-CD1 4.09Å; Y57-Y251 AromaticContact CD2-CE1 3.45Å; Y57-Y251 HydrophobicContact CD2-CE1 3.45Å; Y57-Y251 VanDerWaalsContact CD2-CE1 3.45Å; Y57-Y251 AromaticContact CD2-CE2 3.92Å; Y57-Y251 HydrophobicContact CD2-CE2 3.92Å; Y57-Y251 AromaticContact CD2-CZ 3.32Å; Y57-Y251 WeakPolarHBondContact CD2-OH 3.35Å; Y57-Y251 HydrophobicContact CE2-CE1 4.26Å; Y57-Y251 AromaticContact CE2-CE2 3.88Å; Y57-Y251 HydrophobicContact CE2-CE2 3.88Å; Y57-Y251 AromaticContact CE2-CZ 3.73Å; Y57-Y251 HydrophobicContact CG-CE1 4.22Å; D249-Y251 PolarHBondContact O-N 3.46Å; Y251-W253 PolarHBondContact O-N 3.37Å
252H50.8Low48.2Very low171 Ų171139.9 Ų139.979%0.79273%0.727SS**  trans-8993.9164.1-90.773.7000110.6
253W49.3Very low48.5Very low210 Ų210139.3 Ų139.380%0.79573%0.725SS**  trans-89.3109.9160.757.5-83.3000107.5Y251Y251-W253 PolarHBondContact O-N 3.37Å
254V49.6Very low48.9Very low116 Ų116140.4 Ų140.470%0.70374%0.737SS**  trans-87.7110.7173.1-179.40000107.6K256V254-K256 PolarHBondContact O-N 3.45Å
255S42.9Very low48.8Very low82 Ų82143.3 Ų143.357%0.57373%0.732SS**  trans-67.4112.5166470000109.3
256K46.1Very low48.1Very low203 Ų203151.1 Ų151.188%0.88376%0.759SS**  trans-96.484.7163.1-80.5-175.5177.1177.40108.8V254V254-K256 PolarHBondContact O-N 3.45Å
257S47.7Very low48.2Very low103 Ų103153.4 Ų153.472%0.7276%0.757SS**  trans-113.298.3154.748.50000106.7
258R48.7Very low48.2Very low252 Ų252149.7 Ų149.795%0.95176%0.758SS**  trans-85.9134.6161.5-98.2-174.6165.6-143.5-2.8107.6
259S47.4Very low47.9Very low195 Ų195152.3 Ų152.3100%1.36476%0.76SS**  trans-50.70175.7-48.80000114.2

Retrieved 259 of 259 residues in 218.9 ms (Link to these results)

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