A0A087XNU2_POEFO Loading...

Sesquipedalian

Plays a role in endocytic trafficking. Required for receptor recycling from endosomes, both to the trans-Golgi network and the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087XNU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 251 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
1M50.3Low74.9Confident225 Ų225119.1 Ų119.1100%1.10856%0.559SS**  0126.50-170.8174.3177.200108.1I3M1-I3 HydrophobicContact CG-CG1 4.5Å
2K57.5Low75.8Confident213 Ų213111.7 Ų111.793%0.92652%0.524SS*.  trans-95.7102.8177.3-164.8173.4-178.2179.90107.2
3I71.4Confident76.4Confident68 Ų68108.9 Ų108.935%0.34953%0.525SS..  trans-80.4136.1178.2-53.8172.7000107.2M1 E5 V8 V60M1-I3 HydrophobicContact CG-CG1 4.5Å; I3-E5 PolarHBondContact O-N 2.76Å; I3-V8 HydrophobicContact CB-CG2 4.11Å; I3-V8 HydrophobicContact CG2-CG2 3.49Å; I3-V8 VanDerWaalsContact CG2-CG2 3.49Å; I3-V60 HydrophobicContact CD1-CG1 3.79Å
4D78.6Confident76.8Confident96 Ų96103.4 Ų103.451%0.51350%0.503SS..  trans-66.9128.3178.4-170.8-50.8000110.1K6 V7 V8D4-K6 PolarHBondContact O-N 3.04Å; D4-K6 VanDerWaalsContact OD1-CB 3.32Å; D4-K6 WeakPolarHBondContact OD1-CB 3.03Å; D4-K6 PolarHBondContact OD1-N 3.43Å; D4-V7 HydrophobicContact CB-CB 4.34Å; D4-V7 HydrophobicContact CB-CG2 3.99Å; D4-V7 WeakPolarHBondContact O-CB 3.4Å; D4-V7 PolarHBondContact O-N 3Å; D4-V8 PolarHBondContact O-N 3.35Å
5E79.4Confident77.2Confident157 Ų157107.9 Ų107.973%0.73453%0.53SS*.Hα-helixtrans-55.4-35.5-179.3-69.5176.217600112.6I3 V7 V8 N9I3-E5 PolarHBondContact O-N 2.76Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-V7 PolarHBondContact O-N 3.39Å; E5-V8 PolarHBondContact O-N 3.07Å; E5-N9 WeakPolarHBondContact O-CB 3.39Å; E5-N9 PolarHBondContact O-N 3.33Å
6K79.1Confident77.7Confident172 Ų172104.3 Ų104.375%0.74852%0.519SS*.Hα-helixtrans-65.8-37.7177.9-63.9-179.1-179.51770111.7D4 Y10D4-K6 PolarHBondContact O-N 3.04Å; D4-K6 VanDerWaalsContact OD1-CB 3.32Å; D4-K6 WeakPolarHBondContact OD1-CB 3.03Å; D4-K6 PolarHBondContact OD1-N 3.43Å; K6-Y10 WeakPolarHBondContact O-CB 3.32Å; K6-Y10 PolarHBondContact O-N 3.2Å
7V80.9Confident78.4Confident65 Ų65104.3 Ų104.339%0.39453%0.528SS..Hα-helixtrans-69.5-42.8177.9176.80000109.9D4 E5 Y10 F11D4-V7 HydrophobicContact CB-CB 4.34Å; D4-V7 HydrophobicContact CB-CG2 3.99Å; D4-V7 WeakPolarHBondContact O-CB 3.4Å; D4-V7 PolarHBondContact O-N 3Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-V7 PolarHBondContact O-N 3.39Å; V7-Y10 PolarHBondContact O-N 2.96Å; V7-F11 HydrophobicContact CG1-CD2 3.67Å; V7-F11 HydrophobicContact CG1-CE2 3.5Å; V7-F11 WeakPolarHBondContact O-CD2 3.17Å; V7-F11 PolarHBondContact O-N 3.25Å
8V82.6Confident79.3Confident16 Ų16102.1 Ų102.110%0.09752%0.52CS..Hα-helixtrans-59.5-49.6176.5178.80000111.1I3 D4 E5 Y10 F11 E12 F47 V57 V60I3-V8 HydrophobicContact CB-CG2 4.11Å; I3-V8 HydrophobicContact CG2-CG2 3.49Å; I3-V8 VanDerWaalsContact CG2-CG2 3.49Å; D4-V8 PolarHBondContact O-N 3.35Å; E5-V8 PolarHBondContact O-N 3.07Å; V8-Y10 VanDerWaalsContact C-N 3.32Å; V8-Y10 PolarHBondContact O-N 3.47Å; V8-F11 PolarHBondContact O-N 3.34Å; V8-E12 PolarHBondContact O-N 3.45Å; V8-F47 HydrophobicContact CG1-CD1 4.11Å; V8-F47 HydrophobicContact CG1-CE1 4.06Å; V8-V57 HydrophobicContact CG1-CB 3.85Å; V8-V57 HydrophobicContact CG1-CG1 3.65Å; V8-V57 HydrophobicContact CG1-CG2 4.28Å; V8-V60 HydrophobicContact CG1-CB 4.1Å; V8-V60 HydrophobicContact CG1-CG1 4.14Å; V8-V60 HydrophobicContact CG2-CG1 3.87Å
9N82Confident80Confident46 Ų46101.3 Ų101.325%0.24652%0.518CS..Hα-helixtrans-64.5-37.2179.4-73.2-15.5000111.9E5 E12 S13 V57E5-N9 WeakPolarHBondContact O-CB 3.39Å; E5-N9 PolarHBondContact O-N 3.33Å; N9-E12 PolarHBondContact O-N 3Å; N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.84Å; N9-S13 PolarHBondContact O-OG 2.9Å; N9-V57 WeakPolarHBondContact OD1-CG2 3.21Å; N9-V57 PolarHBondContact OD1-N 2.96Å
10Y82.3Confident80.8Confident149 Ų14998.2 Ų98.258%0.58450%0.5SS*.Hα-helixtrans-58.6-53174174-99.2000111.4K6 V7 V8 E12 S13 C14K6-Y10 WeakPolarHBondContact O-CB 3.32Å; K6-Y10 PolarHBondContact O-N 3.2Å; V7-Y10 PolarHBondContact O-N 2.96Å; V8-Y10 VanDerWaalsContact C-N 3.32Å; V8-Y10 PolarHBondContact O-N 3.47Å; Y10-E12 VanDerWaalsContact C-N 3.3Å; Y10-E12 PolarHBondContact O-N 2.84Å; Y10-S13 CarbonylContact O-C 3.58Å; Y10-S13 PolarHBondContact O-N 2.87Å; Y10-S13 VanDerWaalsContact O-N 3.09Å; Y10-S13 PolarHBondContact O-OG 3.03Å; Y10-C14 PolarHBondContact O-N 2.83Å; Y10-C14 PolarHBondContact O-SG 3.46Å
11F79.8Confident81.6Confident103 Ų10398.5 Ų98.545%0.45250%0.5SS..Hα-helixtrans-63.4-34.7-179.8-80-69.4000113.2V7 V8 C14 L45 F47V7-F11 HydrophobicContact CG1-CD2 3.67Å; V7-F11 HydrophobicContact CG1-CE2 3.5Å; V7-F11 WeakPolarHBondContact O-CD2 3.17Å; V7-F11 PolarHBondContact O-N 3.25Å; V8-F11 PolarHBondContact O-N 3.34Å; F11-C14 WeakPolarHBondContact O-CB 3.48Å; F11-C14 PolarHBondContact O-N 3.24Å; F11-L45 HydrophobicContact CB-CD1 4.31Å; F11-L45 HydrophobicContact CG-CD1 4.45Å; F11-F47 HydrophobicContact CB-CE1 4.46Å; F11-F47 HydrophobicContact CB-CZ 3.97Å
12E85.2Confident83.8Confident30 Ų3088.3 Ų88.314%0.1445%0.452CS..Hα-helixtrans-67.5-38.4174-165.5-83.5158.300111.7V8 N9 Y10 C14 K42 F47 K49 V57V8-E12 PolarHBondContact O-N 3.45Å; N9-E12 PolarHBondContact O-N 3Å; Y10-E12 VanDerWaalsContact C-N 3.3Å; Y10-E12 PolarHBondContact O-N 2.84Å; E12-C14 VanDerWaalsContact C-N 3.29Å; E12-C14 PolarHBondContact O-N 3.35Å; E12-K42 PolarHBondContact O-NZ 2.87Å; E12-F47 HydrophobicContact CB-CD1 4.08Å; E12-F47 HydrophobicContact CB-CD2 4.48Å; E12-F47 HydrophobicContact CB-CE1 4.08Å; E12-F47 HydrophobicContact CB-CG 4.27Å; E12-F47 HydrophobicContact CB-CZ 4.3Å; E12-F47 HydrophobicContact CG-CB 4.32Å; E12-F47 HydrophobicContact CG-CD1 4.29Å; E12-F47 HydrophobicContact CG-CD2 4.24Å; E12-F47 HydrophobicContact CG-CG 4.03Å; E12-K49 VanDerWaalsContact CD-CE 3.45Å; E12-K49 WeakPolarHBondContact OE1-CE 3.27Å; E12-K49 IonicContact OE1-NZ 3.77Å; E12-K49 PolarHBondContact OE1-NZ 2.75Å; E12-K49 IonicContact OE2-NZ 3.74Å; E12-K49 PolarHBondContact OE2-NZ 3.49Å; E12-V57 HydrophobicContact CB-CG2 3.72Å; E12-V57 HydrophobicContact CG-CG2 3.72Å
13S83.8Confident85.7Confident76 Ų7682.3 Ų82.353%0.53142%0.424SS..Hα-helixtrans-76.8-10.317872.70000114.7N9 Y10N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.84Å; N9-S13 PolarHBondContact O-OG 2.9Å; Y10-S13 CarbonylContact O-C 3.58Å; Y10-S13 PolarHBondContact O-N 2.87Å; Y10-S13 VanDerWaalsContact O-N 3.09Å; Y10-S13 PolarHBondContact O-OG 3.03Å
14C82.4Confident87Confident32 Ų3279.2 Ų79.222%0.21641%0.409CS..SBendtrans-59.8145178.5-75.60000111.4Y10 F11 E12 S16 K42Y10-C14 PolarHBondContact O-N 2.83Å; Y10-C14 PolarHBondContact O-SG 3.46Å; F11-C14 WeakPolarHBondContact O-CB 3.48Å; F11-C14 PolarHBondContact O-N 3.24Å; E12-C14 VanDerWaalsContact C-N 3.29Å; E12-C14 PolarHBondContact O-N 3.35Å; C14-S16 PolarHBondContact O-N 2.82Å; C14-K42 PolarHBondContact O-NZ 3.43Å
15N83.4Confident87.8Confident171 Ų17176.2 Ų76.291%0.91440%0.395SS*.SBendtrans-69.819.1176.8-72.7-3.2000113.7
16S84.6Confident88.5Confident50 Ų5069.5 Ų69.535%0.3536%0.364SS..PPolyproline II helixtrans-66.8141.6171.961.20000109.5C14C14-S16 PolarHBondContact O-N 2.82Å
17P89.6Confident89.2Confident104 Ų10464.3 Ų64.368%0.67534%0.341SS*.PPolyproline II helixtrans-57.2146.5176.425.5-33.5000110.5
18V93.9Very high89.5Confident64 Ų6462.2 Ų62.239%0.38833%0.333SS..PPolyproline II helixtrans-86.2119.2171.6174.50000107.4E21 V40 K42V18-E21 HydrophobicContact CG1-CB 4.02Å; V18-E21 HydrophobicContact CG1-CG 4.16Å; V18-V40 HydrophobicContact CG1-CG1 3.9Å; V18-V40 HydrophobicContact CG2-CG1 4Å; V18-K42 HydrophobicContact CG2-CD 4.48Å; V18-K42 VanDerWaalsContact CG2-CE 3.41Å; V18-K42 HydrophobicContact CG2-CG 4.28Å
19D93.9Very high89.4Confident88 Ų8867.4 Ų67.447%0.47136%0.356SS..SBendtrans-76.3-37.8179.3-58.6-57.3000110.9L41 K42 G43D19-L41 HydrophobicContact CB-CD2 4.13Å; D19-L41 HydrophobicContact CB-CG 4.11Å; D19-L41 PolarHBondContact N-O 3.35Å; D19-K42 WeakPolarHBondContact OD2-CA 3.37Å; D19-G43 PolarHBondContact OD2-N 3.05Å
20K96.2Very high89.3Confident39 Ų3973 Ų7317%0.1738%0.384CS..EExtended strand (participates in β ladder)trans-160.7145.3174-171169.7173.267.40111.2L41 S103 W104 A107K20-L41 HydrophobicContact CB-CB 4.38Å; K20-L41 WeakPolarHBondContact O-CB 3.34Å; K20-L41 PolarHBondContact O-N 2.81Å; K20-S103 WeakPolarHBondContact CE-OG 3.48Å; K20-S103 PolarHBondContact NZ-OG 3.33Å; K20-W104 HydrophobicContact CB-CZ3 4.2Å; K20-W104 HydrophobicContact CD-CD2 3.73Å; K20-W104 HydrophobicContact CD-CE3 3.66Å; K20-W104 HydrophobicContact CD-CG 4.19Å; K20-W104 HydrophobicContact CD-CH2 4.45Å; K20-W104 HydrophobicContact CD-CZ3 4.03Å; K20-W104 VanDerWaalsContact CE-CE2 3.49Å; K20-W104 VanDerWaalsContact CE-CG 3.41Å; K20-W104 HydrophobicContact CG-CD2 4.36Å; K20-W104 HydrophobicContact CG-CE3 4.13Å; K20-W104 HydrophobicContact CG-CH2 4.06Å; K20-W104 HydrophobicContact CG-CZ2 4.31Å; K20-W104 HydrophobicContact CG-CZ3 3.96Å; K20-A107 HydrophobicContact CB-CB 3.89Å; K20-A107 HydrophobicContact CD-CB 3.62Å; K20-A107 HydrophobicContact CG-CB 4.39Å
21E96.8Very high89.1Confident104 Ų10473.2 Ų73.249%0.48639%0.388SS..EExtended strand (participates in β ladder)trans-138.9160.2169.459.1179.7-161.800111.2V18 W38 F39 V40V18-E21 HydrophobicContact CG1-CB 4.02Å; V18-E21 HydrophobicContact CG1-CG 4.16Å; E21-W38 HydrophobicContact CB-CZ2 3.72Å; E21-W38 HydrophobicContact CG-CH2 4.39Å; E21-W38 HydrophobicContact CG-CZ2 3.72Å; E21-F39 CarbonylContact C-O 3.5Å; E21-F39 WeakPolarHBondContact CA-O 3.11Å; E21-F39 WeakPolarHBondContact CB-O 3.35Å; E21-V40 HydrophobicContact CB-CG2 4.24Å
22G97.2Very high89.3Confident11 Ų1173.2 Ų73.211%0.11340%0.397CS..EExtended strand (participates in β ladder)trans155.9174.5-178.400000113.3W38 F39G22-W38 VanDerWaalsContact CA-CZ3 3.44Å; G22-F39 PolarHBondContact N-O 3.04Å; G22-F39 PolarHBondContact O-N 2.92Å
23Y97.2Very high89.4Confident87 Ų8774.6 Ų74.634%0.34141%0.41SS..EExtended strand (participates in β ladder)trans-81.1141.7174.4-71.7-76.4000111.9K36 R37 W38 P52Y23-K36 VanDerWaalsContact CB-CE 3.45Å; Y23-K36 HydrophobicContact CD1-CD 4.1Å; Y23-K36 VanDerWaalsContact CD1-CE 3.43Å; Y23-K36 HydrophobicContact CD1-CG 3.7Å; Y23-K36 HydrophobicContact CE1-CG 4.39Å; Y23-K36 HydrophobicContact CG-CD 4.36Å; Y23-K36 HydrophobicContact CG-CG 4.24Å; Y23-R37 WeakPolarHBondContact CA-O 3.39Å; Y23-W38 HydrophobicContact CD1-CB 4.46Å; Y23-W38 HydrophobicContact CD1-CE3 4.02Å; Y23-W38 AromaticContact CD2-CE3 3.67Å; Y23-W38 HydrophobicContact CD2-CE3 3.67Å; Y23-W38 AromaticContact CD2-CZ3 3.7Å; Y23-W38 HydrophobicContact CD2-CZ3 3.7Å; Y23-W38 HydrophobicContact CE1-CB 4.29Å; Y23-W38 HydrophobicContact CE1-CE3 4.01Å; Y23-W38 AromaticContact CE2-CE3 3.64Å; Y23-W38 HydrophobicContact CE2-CE3 3.64Å; Y23-W38 AromaticContact CE2-CZ3 3.73Å; Y23-W38 HydrophobicContact CE2-CZ3 3.73Å; Y23-W38 AromaticContact CG-CE3 3.88Å; Y23-W38 HydrophobicContact CG-CE3 3.88Å; Y23-W38 HydrophobicContact CG-CZ3 4.3Å; Y23-W38 AromaticContact CZ-CE3 3.83Å; Y23-P52 WeakPolarHBondContact OH-CD 3.43Å; Y23-P52 WeakPolarHBondContact OH-CG 3.29Å
24L97.4Very high89.8Confident3 Ų373.2 Ų73.22%0.01639%0.393CS..EExtended strand (participates in β ladder)trans-136.3146.8162.7-69.7169.2000109.6R37 F39 F79 F93 A95 W104L24-R37 PolarHBondContact N-O 2.94Å; L24-R37 PolarHBondContact O-N 2.8Å; L24-F39 HydrophobicContact CB-CD2 3.6Å; L24-F39 HydrophobicContact CB-CE2 3.62Å; L24-F39 HydrophobicContact CB-CG 4.48Å; L24-F39 HydrophobicContact CD1-CD2 4.09Å; L24-F39 HydrophobicContact CD1-CE2 4.49Å; L24-F39 HydrophobicContact CD1-CG 4.18Å; L24-F39 HydrophobicContact CG-CD2 4.16Å; L24-F79 HydrophobicContact CD1-CZ 3.93Å; L24-F79 HydrophobicContact CD2-CE1 4Å; L24-F79 HydrophobicContact CD2-CZ 4.05Å; L24-F93 HydrophobicContact CB-CD1 4.39Å; L24-F93 HydrophobicContact CD1-CD1 4.28Å; L24-F93 HydrophobicContact CD1-CG 4.45Å; L24-A95 HydrophobicContact CD2-CB 3.99Å; L24-W104 HydrophobicContact CD1-CD2 3.78Å; L24-W104 HydrophobicContact CD1-CE3 4.14Å; L24-W104 HydrophobicContact CD1-CG 4.11Å; L24-W104 HydrophobicContact CD1-CZ2 4.22Å; L24-W104 HydrophobicContact CD2-CD2 4.38Å; L24-W104 HydrophobicContact CD2-CG 3.99Å; L24-W104 HydrophobicContact CG-CD2 4.2Å; L24-W104 HydrophobicContact CG-CG 4.34Å; L24-W104 HydrophobicContact CG-CZ2 4.25Å
25S96.1Very high90.3Very high34 Ų3475.7 Ų75.724%0.23840%0.402CS..EExtended strand (participates in β ladder)trans-85112.1168.8-720000108.5Y34 F93 S94S25-Y34 WeakPolarHBondContact O-CD1 3.25Å; S25-F93 CarbonylContact O-C 3.57Å; S25-F93 WeakPolarHBondContact O-CA 3.29Å; S25-S94 PolarHBondContact N-O 3.04Å; S25-S94 PolarHBondContact O-N 3.05Å
26K94.5Very high90.9Very high16 Ų1673.3 Ų73.37%0.0738%0.383CS..EExtended strand (participates in β ladder)trans-103.2130.3-178.3177.4-177.7169.8-60.90110.9G28 Y34 Q35 F39 F93K26-G28 PolarHBondContact O-N 3.44Å; K26-Y34 WeakPolarHBondContact O-CA 3.4Å; K26-Q35 PolarHBondContact N-O 3.01Å; K26-Q35 PolarHBondContact O-N 2.95Å; K26-F39 HydrophobicContact CB-CE2 4.38Å; K26-F39 HydrophobicContact CB-CZ 3.95Å; K26-F39 HydrophobicContact CD-CZ 3.88Å; K26-F39 HydrophobicContact CG-CZ 4.4Å; K26-F93 HydrophobicContact CB-CD1 3.95Å; K26-F93 HydrophobicContact CB-CE1 3.99Å; K26-F93 HydrophobicContact CD-CE1 3.99Å; K26-F93 HydrophobicContact CG-CD1 4.12Å; K26-F93 HydrophobicContact CG-CE1 3.76Å
27K93.1Very high91.4Very high62 Ų6272.9 Ų72.927%0.2737%0.374SS..EExtended strand (participates in β ladder)trans-69.1130.3173.4-158.5172.5-173.5164.50110.7T32 Y34 K92K27-T32 WeakPolarHBondContact CE-O 3.42Å; K27-T32 WeakPolarHBondContact CG-O 3.47Å; K27-Y34 HydrophobicContact CB-CD1 4.32Å; K27-Y34 HydrophobicContact CB-CD2 4.38Å; K27-Y34 HydrophobicContact CB-CE1 4.02Å; K27-Y34 HydrophobicContact CB-CE2 4.06Å; K27-Y34 HydrophobicContact CB-CG 4.5Å; K27-Y34 HydrophobicContact CD-CE2 3.78Å; K27-Y34 HydrophobicContact CG-CD2 4.17Å; K27-Y34 HydrophobicContact CG-CE2 3.82Å; K27-K92 HydrophobicContact CB-CB 3.93Å; K27-K92 HydrophobicContact CD-CB 4.39Å; K27-K92 HydrophobicContact CD-CD 4.16Å; K27-K92 PolarHBondContact N-O 3.13Å
28G87.8Confident91.8Very high21 Ų2170 Ų7022%0.21635%0.349CS..PPolyproline II helixtrans-69.7153.8171.200000111.4K26 K31 S33K26-G28 PolarHBondContact O-N 3.44Å; G28-K31 CarbonylContact C-O 3.59Å; G28-K31 WeakPolarHBondContact CA-O 3.32Å; G28-K31 PolarHBondContact N-O 3.3Å; G28-S33 PolarHBondContact N-O 3Å
29E80.5Confident91.9Very high126 Ų12666.9 Ų66.959%0.58933%0.331SS*.SBendtrans-82.7-46.6179.4173.9172-154.300111.5R89E29-R89 WeakPolarHBondContact OE2-CD 3.44Å; E29-R89 IonicContact OE2-CZ 3.05Å; E29-R89 IonicContact OE2-NE 3.33Å; E29-R89 PolarHBondContact OE2-NE 3.23Å; E29-R89 IonicContact OE2-NH1 2.76Å; E29-R89 PolarHBondContact OE2-NH1 3.42Å; E29-R89 IonicContact OE2-NH2 3.76Å
30I79.6Confident92Very high164 Ų16463 Ų6384%0.84131%0.31SS*.SBendtrans-85.3-51.3177.5-57.2170.7000110.2
31K77.9Confident92Very high153 Ų15361.1 Ų61.167%0.66530%0.302SS*.SBendtrans-92.7111.4174.1-65-177.5179.3179.50107.6G28 S33G28-K31 CarbonylContact C-O 3.59Å; G28-K31 WeakPolarHBondContact CA-O 3.32Å; G28-K31 PolarHBondContact N-O 3.3Å; K31-S33 PolarHBondContact O-N 3.43Å
32T83.3Confident91.8Very high103 Ų10357.3 Ų57.363%0.63228%0.284SS*.  trans-68.51.6-177.451.90000114.2K27K27-T32 WeakPolarHBondContact CE-O 3.42Å; K27-T32 WeakPolarHBondContact CG-O 3.47Å
33S88.8Confident91.5Very high59 Ų5958.5 Ų58.541%0.41330%0.296SS..SBendtrans-65.1144.1171.758.80000112.1G28 K31G28-S33 PolarHBondContact N-O 3Å; K31-S33 PolarHBondContact O-N 3.43Å
34Y91.1Very high91.2Very high47 Ų4756.9 Ų56.918%0.18429%0.293CS..EExtended strand (participates in β ladder)trans-78.9135.8169.1-77.9-106000110.7S25 K26 K27 S73 E75S25-Y34 WeakPolarHBondContact O-CD1 3.25Å; K26-Y34 WeakPolarHBondContact O-CA 3.4Å; K27-Y34 HydrophobicContact CB-CD1 4.32Å; K27-Y34 HydrophobicContact CB-CD2 4.38Å; K27-Y34 HydrophobicContact CB-CE1 4.02Å; K27-Y34 HydrophobicContact CB-CE2 4.06Å; K27-Y34 HydrophobicContact CB-CG 4.5Å; K27-Y34 HydrophobicContact CD-CE2 3.78Å; K27-Y34 HydrophobicContact CG-CD2 4.17Å; K27-Y34 HydrophobicContact CG-CE2 3.82Å; Y34-S73 PolarHBondContact OH-OG 3.09Å; Y34-E75 HydrophobicContact CD1-CG 4.09Å; Y34-E75 HydrophobicContact CD2-CG 3.81Å; Y34-E75 HydrophobicContact CE1-CB 4.49Å; Y34-E75 HydrophobicContact CE1-CG 4.03Å; Y34-E75 HydrophobicContact CE2-CG 3.76Å; Y34-E75 HydrophobicContact CG-CG 3.98Å
35Q93.4Very high91Very high84 Ų8458.3 Ų58.339%0.39330%0.301SS..EExtended strand (participates in β ladder)trans-121.5128.4174.9-66.2-172.81.100109.9K26 R37K26-Q35 PolarHBondContact N-O 3.01Å; K26-Q35 PolarHBondContact O-N 2.95Å; Q35-R37 PolarHBondContact O-N 2.85Å
36K95.2Very high91Very high121 Ų12156.8 Ų56.853%0.52629%0.29SS..EExtended strand (participates in β ladder)trans-68.8124.7172.3-170.8169.1-175.7168.50109.3Y23Y23-K36 VanDerWaalsContact CB-CE 3.45Å; Y23-K36 HydrophobicContact CD1-CD 4.1Å; Y23-K36 VanDerWaalsContact CD1-CE 3.43Å; Y23-K36 HydrophobicContact CD1-CG 3.7Å; Y23-K36 HydrophobicContact CE1-CG 4.39Å; Y23-K36 HydrophobicContact CG-CD 4.36Å; Y23-K36 HydrophobicContact CG-CG 4.24Å
37R96.3Very high91Very high41 Ų4156.1 Ų56.116%0.15529%0.287CS..EExtended strand (participates in β ladder)trans-134.9150.9177.1-64.8-69.1-178165.8-4.2109.4Y23 L24 Q35 F39 Y48 K49 E50Y23-R37 WeakPolarHBondContact CA-O 3.39Å; L24-R37 PolarHBondContact N-O 2.94Å; L24-R37 PolarHBondContact O-N 2.8Å; Q35-R37 PolarHBondContact O-N 2.85Å; R37-F39 HydrophobicContact CB-CD2 4.28Å; R37-F39 HydrophobicContact CB-CE2 3.64Å; R37-F39 HydrophobicContact CB-CZ 4.21Å; R37-F39 WeakPolarHBondContact O-CD2 3.43Å; R37-Y48 HydrophobicContact CG-CD2 4.34Å; R37-K49 WeakPolarHBondContact CB-O 3.14Å; R37-K49 WeakPolarHBondContact CD-O 3.26Å; R37-E50 IonicContact NH1-OE2 2.69Å
38W96.9Very high91.1Very high42 Ų4254.8 Ų54.816%0.15928%0.281CS..EExtended strand (participates in β ladder)trans-84123.9172.1-177.2-100.9000109E21 G22 Y23 Y48 K49 P52E21-W38 HydrophobicContact CB-CZ2 3.72Å; E21-W38 HydrophobicContact CG-CH2 4.39Å; E21-W38 HydrophobicContact CG-CZ2 3.72Å; G22-W38 VanDerWaalsContact CA-CZ3 3.44Å; Y23-W38 HydrophobicContact CD1-CB 4.46Å; Y23-W38 HydrophobicContact CD1-CE3 4.02Å; Y23-W38 AromaticContact CD2-CE3 3.67Å; Y23-W38 HydrophobicContact CD2-CE3 3.67Å; Y23-W38 AromaticContact CD2-CZ3 3.7Å; Y23-W38 HydrophobicContact CD2-CZ3 3.7Å; Y23-W38 HydrophobicContact CE1-CB 4.29Å; Y23-W38 HydrophobicContact CE1-CE3 4.01Å; Y23-W38 AromaticContact CE2-CE3 3.64Å; Y23-W38 HydrophobicContact CE2-CE3 3.64Å; Y23-W38 AromaticContact CE2-CZ3 3.73Å; Y23-W38 HydrophobicContact CE2-CZ3 3.73Å; Y23-W38 AromaticContact CG-CE3 3.88Å; Y23-W38 HydrophobicContact CG-CE3 3.88Å; Y23-W38 HydrophobicContact CG-CZ3 4.3Å; Y23-W38 AromaticContact CZ-CE3 3.83Å; W38-Y48 CarbonylContact O-C 3.42Å; W38-Y48 WeakPolarHBondContact O-CA 3.5Å; W38-K49 HydrophobicContact CB-CB 4.47Å; W38-K49 PolarHBondContact N-O 2.87Å; W38-K49 PolarHBondContact O-N 2.81Å; W38-P52 HydrophobicContact CD2-CB 3.9Å; W38-P52 HydrophobicContact CE3-CB 4.22Å; W38-P52 HydrophobicContact CE3-CG 4.47Å; W38-P52 HydrophobicContact CG-CB 4.18Å; W38-P52 HydrophobicContact CZ2-CB 4.43Å
39F97.3Very high91.4Very high0 Ų054.4 Ų54.40%027%0.273CS..EExtended strand (participates in β ladder)trans-107.2142.9179.6-74.6-97.3000110.7E21 G22 L24 K26 R37 L46 F47 Y48 F93 W104E21-F39 CarbonylContact C-O 3.5Å; E21-F39 WeakPolarHBondContact CA-O 3.11Å; E21-F39 WeakPolarHBondContact CB-O 3.35Å; G22-F39 PolarHBondContact N-O 3.04Å; G22-F39 PolarHBondContact O-N 2.92Å; L24-F39 HydrophobicContact CB-CD2 3.6Å; L24-F39 HydrophobicContact CB-CE2 3.62Å; L24-F39 HydrophobicContact CB-CG 4.48Å; L24-F39 HydrophobicContact CD1-CD2 4.09Å; L24-F39 HydrophobicContact CD1-CE2 4.49Å; L24-F39 HydrophobicContact CD1-CG 4.18Å; L24-F39 HydrophobicContact CG-CD2 4.16Å; K26-F39 HydrophobicContact CB-CE2 4.38Å; K26-F39 HydrophobicContact CB-CZ 3.95Å; K26-F39 HydrophobicContact CD-CZ 3.88Å; K26-F39 HydrophobicContact CG-CZ 4.4Å; R37-F39 HydrophobicContact CB-CD2 4.28Å; R37-F39 HydrophobicContact CB-CE2 3.64Å; R37-F39 HydrophobicContact CB-CZ 4.21Å; R37-F39 WeakPolarHBondContact O-CD2 3.43Å; F39-L46 HydrophobicContact CB-CD1 4.16Å; F39-L46 HydrophobicContact CD1-CD1 3.91Å; F39-L46 HydrophobicContact CD1-CD2 3.98Å; F39-L46 HydrophobicContact CD1-CG 3.82Å; F39-L46 HydrophobicContact CE1-CD2 4.3Å; F39-L46 HydrophobicContact CE1-CG 4.46Å; F39-F47 CarbonylContact C-O 3.47Å; F39-F47 VanDerWaalsContact CA-O 3.29Å; F39-F47 WeakPolarHBondContact CA-O 3.35Å; F39-Y48 VanDerWaalsContact CE1-CB 3.49Å; F39-Y48 HydrophobicContact CE1-CD1 4.09Å; F39-Y48 HydrophobicContact CE1-CG 4.01Å; F39-Y48 HydrophobicContact CZ-CG 4.23Å; F39-F93 HydrophobicContact CE1-CD1 4.47Å; F39-F93 AromaticContact CE1-CE1 3.66Å; F39-F93 HydrophobicContact CE1-CE1 3.66Å; F39-F93 HydrophobicContact CE1-CZ 4.34Å; F39-F93 HydrophobicContact CE2-CE1 4.46Å; F39-F93 HydrophobicContact CZ-CD1 4.08Å; F39-F93 AromaticContact CZ-CE1 3.57Å; F39-F93 HydrophobicContact CZ-CE1 3.57Å; F39-W104 HydrophobicContact CB-CH2 3.55Å; F39-W104 HydrophobicContact CB-CZ2 4.02Å; F39-W104 HydrophobicContact CB-CZ3 4.27Å
40V96.2Very high92.1Very high5 Ų553.5 Ų53.53%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-133.6118.7175.3-175.10000107.8V18 E21 K42 F47V18-V40 HydrophobicContact CG1-CG1 3.9Å; V18-V40 HydrophobicContact CG2-CG1 4Å; E21-V40 HydrophobicContact CB-CG2 4.24Å; V40-K42 HydrophobicContact CG1-CD 4.44Å; V40-K42 HydrophobicContact CG1-CG 4.21Å; V40-F47 PolarHBondContact N-O 3.36Å; V40-F47 PolarHBondContact O-N 2.89Å
41L95.6Very high92.7Very high0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-97.4125175.9-179.864.4000109.4D19 K20 L46 L63 A107 A111D19-L41 HydrophobicContact CB-CD2 4.13Å; D19-L41 HydrophobicContact CB-CG 4.11Å; D19-L41 PolarHBondContact N-O 3.35Å; K20-L41 HydrophobicContact CB-CB 4.38Å; K20-L41 WeakPolarHBondContact O-CB 3.34Å; K20-L41 PolarHBondContact O-N 2.81Å; L41-L46 HydrophobicContact CB-CD1 4.1Å; L41-L46 HydrophobicContact CD1-CB 4.31Å; L41-L46 HydrophobicContact CD1-CD1 4.3Å; L41-L63 HydrophobicContact CD1-CD1 3.48Å; L41-L63 VanDerWaalsContact CD1-CD1 3.48Å; L41-A107 HydrophobicContact CD2-CB 3.78Å; L41-A111 HydrophobicContact CD1-CB 3.99Å; L41-A111 HydrophobicContact CD2-CB 4.09Å; L41-A111 HydrophobicContact CG-CB 4.45Å
42K93.2Very high93.3Very high24 Ų2448.9 Ų48.910%0.10425%0.245CC..EExtended strand (participates in β ladder)trans-137.3111174.6-68.8178164.7-1650109.1E12 C14 V18 D19 V40 N44 L45 F47E12-K42 PolarHBondContact O-NZ 2.87Å; C14-K42 PolarHBondContact O-NZ 3.43Å; V18-K42 HydrophobicContact CG2-CD 4.48Å; V18-K42 VanDerWaalsContact CG2-CE 3.41Å; V18-K42 HydrophobicContact CG2-CG 4.28Å; D19-K42 WeakPolarHBondContact OD2-CA 3.37Å; V40-K42 HydrophobicContact CG1-CD 4.44Å; V40-K42 HydrophobicContact CG1-CG 4.21Å; K42-N44 PolarHBondContact O-N 2.96Å; K42-L45 PolarHBondContact N-O 2.83Å; K42-L45 PolarHBondContact O-N 2.89Å; K42-F47 HydrophobicContact CB-CE2 4.23Å; K42-F47 HydrophobicContact CD-CE2 4.37Å
43G90.3Very high93.4Very high37 Ų3747.5 Ų47.538%0.38125%0.251SS..THydrogen-bonded Turntrans57-125.5-172.400000111D19 L45 A111D19-G43 PolarHBondContact OD2-N 3.05Å; G43-L45 VanDerWaalsContact C-N 3.35Å; G43-A111 WeakPolarHBondContact O-CB 3.21Å
44N91.8Very high93.4Very high52 Ų5247.4 Ų47.428%0.27825%0.246SC..THydrogen-bonded Turntrans-92.512.9177.467.7-27.5000113.8K42 L63 E64K42-N44 PolarHBondContact O-N 2.96Å; N44-L63 WeakPolarHBondContact O-CB 3.47Å; N44-L63 PolarHBondContact O-N 3.42Å; N44-E64 PolarHBondContact ND2-OE2 3.22Å
45L93.1Very high93Very high34 Ų3455.7 Ų55.718%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-112.4122.5-178.4-58.3-179.8000110.9F11 K42 G43 F47 V60 V62F11-L45 HydrophobicContact CB-CD1 4.31Å; F11-L45 HydrophobicContact CG-CD1 4.45Å; K42-L45 PolarHBondContact N-O 2.83Å; K42-L45 PolarHBondContact O-N 2.89Å; G43-L45 VanDerWaalsContact C-N 3.35Å; L45-F47 HydrophobicContact CB-CD2 4.38Å; L45-F47 HydrophobicContact CB-CE1 4.49Å; L45-F47 HydrophobicContact CB-CE2 3.61Å; L45-F47 HydrophobicContact CB-CZ 3.7Å; L45-F47 HydrophobicContact CD1-CE2 4.3Å; L45-F47 HydrophobicContact CD1-CZ 3.69Å; L45-F47 HydrophobicContact CG-CZ 4.35Å; L45-V60 HydrophobicContact CB-CG2 4.24Å; L45-V60 HydrophobicContact CD2-CG2 4.27Å; L45-V62 HydrophobicContact CD2-CB 4.5Å; L45-V62 HydrophobicContact CD2-CG1 4.44Å; L45-V62 HydrophobicContact CD2-CG2 3.95Å
46L95.2Very high92.6Very high1 Ų157.3 Ų57.31%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-106.9101.7175.1-178.867.7000109.6F39 L41 V60 I61 L63 L81 W104 L108F39-L46 HydrophobicContact CB-CD1 4.16Å; F39-L46 HydrophobicContact CD1-CD1 3.91Å; F39-L46 HydrophobicContact CD1-CD2 3.98Å; F39-L46 HydrophobicContact CD1-CG 3.82Å; F39-L46 HydrophobicContact CE1-CD2 4.3Å; F39-L46 HydrophobicContact CE1-CG 4.46Å; L41-L46 HydrophobicContact CB-CD1 4.1Å; L41-L46 HydrophobicContact CD1-CB 4.31Å; L41-L46 HydrophobicContact CD1-CD1 4.3Å; L46-V60 WeakPolarHBondContact O-CA 3.31Å; L46-I61 HydrophobicContact CB-CB 4.26Å; L46-I61 HydrophobicContact CD2-CD1 4.32Å; L46-I61 PolarHBondContact N-O 3.27Å; L46-I61 PolarHBondContact O-N 3Å; L46-L63 HydrophobicContact CB-CD1 4.33Å; L46-L63 HydrophobicContact CB-CD2 4.21Å; L46-L63 HydrophobicContact CB-CG 4.32Å; L46-L63 HydrophobicContact CD2-CD2 4.49Å; L46-L81 HydrophobicContact CD2-CD1 4.28Å; L46-W104 HydrophobicContact CD1-CZ3 4.14Å; L46-L108 HydrophobicContact CD1-CD2 4.49Å; L46-L108 HydrophobicContact CD2-CD2 4Å
47F95.1Very high92.5Very high3 Ų352.6 Ų52.61%0.01327%0.27CS..EExtended strand (participates in β ladder)trans-85.7150177-56-81.7000110.6V8 F11 E12 F39 V40 K42 L45 V57 V60V8-F47 HydrophobicContact CG1-CD1 4.11Å; V8-F47 HydrophobicContact CG1-CE1 4.06Å; F11-F47 HydrophobicContact CB-CE1 4.46Å; F11-F47 HydrophobicContact CB-CZ 3.97Å; E12-F47 HydrophobicContact CB-CD1 4.08Å; E12-F47 HydrophobicContact CB-CD2 4.48Å; E12-F47 HydrophobicContact CB-CE1 4.08Å; E12-F47 HydrophobicContact CB-CG 4.27Å; E12-F47 HydrophobicContact CB-CZ 4.3Å; E12-F47 HydrophobicContact CG-CB 4.32Å; E12-F47 HydrophobicContact CG-CD1 4.29Å; E12-F47 HydrophobicContact CG-CD2 4.24Å; E12-F47 HydrophobicContact CG-CG 4.03Å; F39-F47 CarbonylContact C-O 3.47Å; F39-F47 VanDerWaalsContact CA-O 3.29Å; F39-F47 WeakPolarHBondContact CA-O 3.35Å; V40-F47 PolarHBondContact N-O 3.36Å; V40-F47 PolarHBondContact O-N 2.89Å; K42-F47 HydrophobicContact CB-CE2 4.23Å; K42-F47 HydrophobicContact CD-CE2 4.37Å; L45-F47 HydrophobicContact CB-CD2 4.38Å; L45-F47 HydrophobicContact CB-CE1 4.49Å; L45-F47 HydrophobicContact CB-CE2 3.61Å; L45-F47 HydrophobicContact CB-CZ 3.7Å; L45-F47 HydrophobicContact CD1-CE2 4.3Å; L45-F47 HydrophobicContact CD1-CZ 3.69Å; L45-F47 HydrophobicContact CG-CZ 4.35Å; F47-V57 HydrophobicContact CB-CG1 4.26Å; F47-V57 HydrophobicContact CD1-CG1 4.07Å; F47-V57 HydrophobicContact CD1-CG2 4.49Å; F47-V60 HydrophobicContact CD1-CB 3.89Å; F47-V60 HydrophobicContact CD1-CG2 3.71Å; F47-V60 HydrophobicContact CE1-CB 4.09Å; F47-V60 HydrophobicContact CE1-CG2 3.63Å; F47-V60 HydrophobicContact CG-CG2 4.46Å; F47-V60 HydrophobicContact CZ-CG2 4.3Å
48Y95.2Very high92.3Very high33 Ų3354 Ų5413%0.12928%0.283CS..EExtended strand (participates in β ladder)trans-137.2143.3169.265.1-87.6000113.3R37 W38 F39 V58 G59 I61R37-Y48 HydrophobicContact CG-CD2 4.34Å; W38-Y48 CarbonylContact O-C 3.42Å; W38-Y48 WeakPolarHBondContact O-CA 3.5Å; F39-Y48 VanDerWaalsContact CE1-CB 3.49Å; F39-Y48 HydrophobicContact CE1-CD1 4.09Å; F39-Y48 HydrophobicContact CE1-CG 4.01Å; F39-Y48 HydrophobicContact CZ-CG 4.23Å; Y48-V58 HydrophobicContact CD2-CB 3.78Å; Y48-V58 HydrophobicContact CD2-CG1 4.06Å; Y48-V58 HydrophobicContact CE2-CB 3.64Å; Y48-V58 HydrophobicContact CE2-CG1 3.48Å; Y48-V58 VanDerWaalsContact CE2-CG1 3.48Å; Y48-V58 WeakPolarHBondContact O-CB 3.47Å; Y48-V58 PolarHBondContact O-N 2.88Å; Y48-G59 VanDerWaalsContact CD1-O 3.27Å; Y48-G59 WeakPolarHBondContact CD1-O 3.41Å; Y48-G59 VanDerWaalsContact CE1-C 3.42Å; Y48-G59 PolarHBondContact N-O 2.97Å; Y48-G59 PolarHBondContact O-N 2.78Å; Y48-I61 HydrophobicContact CD1-CD1 4.49Å; Y48-I61 HydrophobicContact CE1-CD1 4.46Å; Y48-I61 HydrophobicContact CE1-CG1 4.36Å
49K94.6Very high92.1Very high13 Ų1352.7 Ų52.76%0.05728%0.282CS..EExtended strand (participates in β ladder)trans-127.6165.6-175.3-62.8179.5172.9-1720110.2E12 R37 W38 D54E12-K49 VanDerWaalsContact CD-CE 3.45Å; E12-K49 WeakPolarHBondContact OE1-CE 3.27Å; E12-K49 IonicContact OE1-NZ 3.77Å; E12-K49 PolarHBondContact OE1-NZ 2.75Å; E12-K49 IonicContact OE2-NZ 3.74Å; E12-K49 PolarHBondContact OE2-NZ 3.49Å; R37-K49 WeakPolarHBondContact CB-O 3.14Å; R37-K49 WeakPolarHBondContact CD-O 3.26Å; W38-K49 HydrophobicContact CB-CB 4.47Å; W38-K49 PolarHBondContact N-O 2.87Å; W38-K49 PolarHBondContact O-N 2.81Å; K49-D54 HydrophobicContact CB-CB 4.42Å; K49-D54 HydrophobicContact CD-CB 4.43Å; K49-D54 WeakPolarHBondContact CD-O 3.33Å; K49-D54 WeakPolarHBondContact CE-O 3.42Å; K49-D54 PolarHBondContact NZ-O 3.28Å
50E93.5Very high91.9Very high107 Ų10754 Ų5450%0.529%0.29SS..SBendtrans-71.9-46.7173.2-167.3167.8150.700111R37 D54R37-E50 IonicContact NH1-OE2 2.69Å; E50-D54 WeakPolarHBondContact CB-OD2 3.2Å
51R94Very high91.7Very high158 Ų15854 Ų5460%0.59629%0.29SS*.SBendtrans-133.5156.4179.5-58.4-179.4-170.5-169.32.2111.5G53 D54R51-G53 PolarHBondContact O-N 3.19Å; R51-D54 WeakPolarHBondContact CB-OD2 3.5Å; R51-D54 PolarHBondContact N-OD2 2.85Å; R51-D54 PolarHBondContact O-N 3.13Å
52P90.3Very high91.6Very high62 Ų6256.7 Ų56.740%0.40331%0.306SS..THydrogen-bonded Turntrans-60.6133.216726.4-34.1000109.4Y23 W38Y23-P52 WeakPolarHBondContact OH-CD 3.43Å; Y23-P52 WeakPolarHBondContact OH-CG 3.29Å; W38-P52 HydrophobicContact CD2-CB 3.9Å; W38-P52 HydrophobicContact CE3-CB 4.22Å; W38-P52 HydrophobicContact CE3-CG 4.47Å; W38-P52 HydrophobicContact CG-CB 4.18Å; W38-P52 HydrophobicContact CZ2-CB 4.43Å
53G85.2Confident91.5Very high75 Ų7555.6 Ų55.677%0.77330%0.301SS*.THydrogen-bonded Turntrans90.6-7.3-179.700000115.6R51 R55R51-G53 PolarHBondContact O-N 3.19Å; G53-R55 PolarHBondContact O-N 2.75Å
54D88.1Confident91.5Very high56 Ų5657.9 Ų57.930%0.29930%0.302SS..  trans-61.7136.8170.8-69.9-16.8000109.9K49 E50 R51K49-D54 HydrophobicContact CB-CB 4.42Å; K49-D54 HydrophobicContact CD-CB 4.43Å; K49-D54 WeakPolarHBondContact CD-O 3.33Å; K49-D54 WeakPolarHBondContact CE-O 3.42Å; K49-D54 PolarHBondContact NZ-O 3.28Å; E50-D54 WeakPolarHBondContact CB-OD2 3.2Å; R51-D54 WeakPolarHBondContact CB-OD2 3.5Å; R51-D54 PolarHBondContact N-OD2 2.85Å; R51-D54 PolarHBondContact O-N 3.13Å
55R83.6Confident91.3Very high222 Ų22257.7 Ų57.784%0.83831%0.313SS*.SBendtrans-76.9-33.5176.3-68.4-173.2177.2-176.1-0.6111.9G53G53-R55 PolarHBondContact O-N 2.75Å
56D85.3Confident91.2Very high118 Ų11856.8 Ų56.863%0.63131%0.309SS*.SBendtrans-87.1126.1-175.2-61-41.2000110.6
57V91.9Very high91.1Very high22 Ų2259.8 Ų59.813%0.13333%0.327CS..  trans-81.2129.2173.4179.50000109.2V8 N9 E12 F47 G59V8-V57 HydrophobicContact CG1-CB 3.85Å; V8-V57 HydrophobicContact CG1-CG1 3.65Å; V8-V57 HydrophobicContact CG1-CG2 4.28Å; N9-V57 WeakPolarHBondContact OD1-CG2 3.21Å; N9-V57 PolarHBondContact OD1-N 2.96Å; E12-V57 HydrophobicContact CB-CG2 3.72Å; E12-V57 HydrophobicContact CG-CG2 3.72Å; F47-V57 HydrophobicContact CB-CG1 4.26Å; F47-V57 HydrophobicContact CD1-CG1 4.07Å; F47-V57 HydrophobicContact CD1-CG2 4.49Å; V57-G59 WeakPolarHBondContact CG1-O 3.31Å
58V92Very high91Very high70 Ų7060.8 Ų60.842%0.42433%0.334SS..SBendtrans-77.8-31.4177.7-176.40000110.7Y48Y48-V58 HydrophobicContact CD2-CB 3.78Å; Y48-V58 HydrophobicContact CD2-CG1 4.06Å; Y48-V58 HydrophobicContact CE2-CB 3.64Å; Y48-V58 HydrophobicContact CE2-CG1 3.48Å; Y48-V58 VanDerWaalsContact CE2-CG1 3.48Å; Y48-V58 WeakPolarHBondContact O-CB 3.47Å; Y48-V58 PolarHBondContact O-N 2.88Å
59G91.9Very high91Very high15 Ų1563.7 Ų63.716%0.15535%0.348CS..EExtended strand (participates in β ladder)trans-176.4172.516800000113.2Y48 V57Y48-G59 VanDerWaalsContact CD1-O 3.27Å; Y48-G59 WeakPolarHBondContact CD1-O 3.41Å; Y48-G59 VanDerWaalsContact CE1-C 3.42Å; Y48-G59 PolarHBondContact N-O 2.97Å; Y48-G59 PolarHBondContact O-N 2.78Å; V57-G59 WeakPolarHBondContact CG1-O 3.31Å
60V93.5Very high91Very high27 Ų2769 Ų6916%0.16438%0.377CS..EExtended strand (participates in β ladder)trans-127.6140.5178.162.60000109.5I3 V8 L45 L46 F47I3-V60 HydrophobicContact CD1-CG1 3.79Å; V8-V60 HydrophobicContact CG1-CB 4.1Å; V8-V60 HydrophobicContact CG1-CG1 4.14Å; V8-V60 HydrophobicContact CG2-CG1 3.87Å; L45-V60 HydrophobicContact CB-CG2 4.24Å; L45-V60 HydrophobicContact CD2-CG2 4.27Å; L46-V60 WeakPolarHBondContact O-CA 3.31Å; F47-V60 HydrophobicContact CD1-CB 3.89Å; F47-V60 HydrophobicContact CD1-CG2 3.71Å; F47-V60 HydrophobicContact CE1-CB 4.09Å; F47-V60 HydrophobicContact CE1-CG2 3.63Å; F47-V60 HydrophobicContact CG-CG2 4.46Å; F47-V60 HydrophobicContact CZ-CG2 4.3Å
61I93.1Very high90.7Very high4 Ų465.6 Ų65.62%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-116122.1172.9-58.3167.3000107L46 Y48 L63 L81 W83 Y91 F93L46-I61 HydrophobicContact CB-CB 4.26Å; L46-I61 HydrophobicContact CD2-CD1 4.32Å; L46-I61 PolarHBondContact N-O 3.27Å; L46-I61 PolarHBondContact O-N 3Å; Y48-I61 HydrophobicContact CD1-CD1 4.49Å; Y48-I61 HydrophobicContact CE1-CD1 4.46Å; Y48-I61 HydrophobicContact CE1-CG1 4.36Å; I61-L63 HydrophobicContact CG2-CD2 4.24Å; I61-L81 HydrophobicContact CG2-CD1 4.35Å; I61-W83 HydrophobicContact CG2-CH2 3.72Å; I61-W83 HydrophobicContact CG2-CZ2 3.99Å; I61-Y91 HydrophobicContact CD1-CD1 3.79Å; I61-Y91 HydrophobicContact CD1-CD2 4.01Å; I61-Y91 HydrophobicContact CD1-CE1 3.87Å; I61-Y91 HydrophobicContact CD1-CE2 4.14Å; I61-Y91 HydrophobicContact CD1-CG 3.84Å; I61-Y91 HydrophobicContact CG1-CD1 4.46Å; I61-Y91 HydrophobicContact CG1-CD2 4.35Å; I61-Y91 HydrophobicContact CG1-CE1 4.06Å; I61-Y91 HydrophobicContact CG1-CE2 4Å; I61-Y91 HydrophobicContact CG2-CD2 3.99Å; I61-Y91 HydrophobicContact CG2-CE2 3.78Å; I61-F93 HydrophobicContact CD1-CZ 3.94Å
62V92.3Very high90.1Very high58 Ų5867.9 Ų67.935%0.35238%0.382SS..EExtended strand (participates in β ladder)trans-87.3119.7176.7-177.80000108L45 E64 W83L45-V62 HydrophobicContact CD2-CB 4.5Å; L45-V62 HydrophobicContact CD2-CG1 4.44Å; L45-V62 HydrophobicContact CD2-CG2 3.95Å; V62-E64 HydrophobicContact CG1-CB 3.8Å; V62-E64 PolarHBondContact O-N 3.12Å; V62-W83 VanDerWaalsContact O-CZ2 3.31Å; V62-W83 WeakPolarHBondContact O-CZ2 3.42Å
63L92.4Very high89.5Confident0 Ų067.2 Ų67.20%038%0.378CS..  trans-83.13.4-174.4-58.1179.1000113.5L41 N44 L46 I61 G65 C66 L81 L108 A111L41-L63 HydrophobicContact CD1-CD1 3.48Å; L41-L63 VanDerWaalsContact CD1-CD1 3.48Å; N44-L63 WeakPolarHBondContact O-CB 3.47Å; N44-L63 PolarHBondContact O-N 3.42Å; L46-L63 HydrophobicContact CB-CD1 4.33Å; L46-L63 HydrophobicContact CB-CD2 4.21Å; L46-L63 HydrophobicContact CB-CG 4.32Å; L46-L63 HydrophobicContact CD2-CD2 4.49Å; I61-L63 HydrophobicContact CG2-CD2 4.24Å; L63-G65 PolarHBondContact O-N 3.43Å; L63-C66 WeakPolarHBondContact O-CB 3.23Å; L63-C66 PolarHBondContact O-N 3.02Å; L63-C66 VanDerWaalsContact O-N 3.13Å; L63-C66 PolarHBondContact O-SG 3.21Å; L63-L81 HydrophobicContact CD2-CD1 3.65Å; L63-L108 HydrophobicContact CD1-CD2 3.75Å; L63-L108 HydrophobicContact CD2-CD2 4.11Å; L63-A111 HydrophobicContact CD1-CB 3.76Å
64E89.6Confident89.2Confident86 Ų8673.1 Ų73.140%0.40239%0.386SS..THydrogen-bonded Turntrans-55.7123.2172.7-160.592.1-17600110.3N44 V62 C66 W83 H113N44-E64 PolarHBondContact ND2-OE2 3.22Å; V62-E64 HydrophobicContact CG1-CB 3.8Å; V62-E64 PolarHBondContact O-N 3.12Å; E64-C66 PolarHBondContact O-N 3.42Å; E64-W83 VanDerWaalsContact O-CD1 3.28Å; E64-W83 PolarHBondContact O-NE1 2.77Å; E64-H113 IonicContact OE1-CE1 2.87Å; E64-H113 PolarHBondContact OE1-CE1 3.43Å; E64-H113 IonicContact OE1-CG 3.51Å; E64-H113 IonicContact OE1-ND1 3.64Å; E64-H113 PolarHBondContact OE1-ND1 3.19Å; E64-H113 IonicContact OE2-ND1 3.42Å
65G87.6Confident89.1Confident48 Ų4874.4 Ų74.450%0.49539%0.39SS..THydrogen-bonded Turntrans66.712.8179.700000115.3L63L63-G65 PolarHBondContact O-N 3.43Å
66C91.3Very high89.4Confident14 Ų1470.5 Ų70.510%0.09538%0.382CS..EExtended strand (participates in β ladder)trans-80.3148.217783.40000111.7L63 E64 V82 W83L63-C66 WeakPolarHBondContact O-CB 3.23Å; L63-C66 PolarHBondContact O-N 3.02Å; L63-C66 VanDerWaalsContact O-N 3.13Å; L63-C66 PolarHBondContact O-SG 3.21Å; E64-C66 PolarHBondContact O-N 3.42Å; C66-V82 CarbonylContact C-O 3.48Å; C66-W83 HydrophobicContact CB-CD2 4.24Å; C66-W83 HydrophobicContact CB-CH2 4.18Å; C66-W83 HydrophobicContact CB-CZ2 3.52Å
67T92Very high89.9Confident65 Ų6567.8 Ų67.840%0.39936%0.364SS..EExtended strand (participates in β ladder)trans-118.7128.4170-58.60000108.5Q69 V82T67-Q69 HydrophobicContact CG2-CG 4.16Å; T67-V82 PolarHBondContact N-O 3.36Å; T67-V82 PolarHBondContact O-N 2.96Å
68V94.6Very high90Very high24 Ų2467 Ų6715%0.14536%0.36CS..EExtended strand (participates in β ladder)trans-86.2126.2174.8-168.20000108.6F79 S80 L81 I105 L108 L109V68-F79 HydrophobicContact CG1-CD2 4.25Å; V68-S80 WeakPolarHBondContact CA-O 3.01Å; V68-L81 HydrophobicContact CB-CD2 4.38Å; V68-L81 HydrophobicContact CG1-CD2 4.47Å; V68-L81 HydrophobicContact CG2-CD2 3.73Å; V68-I105 HydrophobicContact CG1-CB 4.46Å; V68-I105 HydrophobicContact CG1-CG1 4.06Å; V68-I105 HydrophobicContact CG1-CG2 4.12Å; V68-L108 HydrophobicContact CG2-CB 3.87Å; V68-L109 HydrophobicContact CB-CD2 4.02Å; V68-L109 HydrophobicContact CB-CG 4.43Å; V68-L109 HydrophobicContact CG2-CD2 3.79Å; V68-L109 HydrophobicContact CG2-CG 4.11Å
69Q94.4Very high90.3Very high93 Ų9363.8 Ų63.844%0.43534%0.34SS..EExtended strand (participates in β ladder)trans-126.1134.5178.3-65.5-175-1500110.6T67 F79 S80T67-Q69 HydrophobicContact CG2-CG 4.16Å; Q69-F79 CarbonylContact O-C 3.57Å; Q69-F79 VanDerWaalsContact O-CA 3.31Å; Q69-F79 WeakPolarHBondContact O-CA 3.35Å; Q69-F79 WeakPolarHBondContact O-CB 3.43Å; Q69-S80 PolarHBondContact N-O 2.89Å; Q69-S80 PolarHBondContact O-N 2.8Å
70L94.1Very high90.4Very high126 Ų12663.2 Ų63.266%0.6633%0.334SS*.EExtended strand (participates in β ladder)trans-66.5142.4165-70.8172.1000109I105L70-I105 HydrophobicContact CD2-CD1 3.47Å; L70-I105 VanDerWaalsContact CD2-CD1 3.47Å; L70-I105 HydrophobicContact CG-CD1 4.39Å
71C88.7Confident90.5Very high34 Ų3461.9 Ų61.923%0.2333%0.326CS..  trans-132.4133.9-179-65.30000110A78 S80C71-A78 PolarHBondContact N-O 2.69Å; C71-S80 VanDerWaalsContact SG-CB 3.56Å; C71-S80 PolarHBondContact SG-OG 3.32Å
72E79.5Confident90.5Very high206 Ų20663.4 Ų63.496%0.96334%0.335SS*.  trans-75.5124.1161.1-64.7-176.8169.900108.1
73S79.6Confident90.5Very high48 Ų4862.4 Ų62.434%0.33633%0.325SS..  trans-144.7165.8-178.3-169.40000108.6Y34 E75Y34-S73 PolarHBondContact OH-OG 3.09Å; S73-E75 PolarHBondContact O-N 2.83Å
74E77.6Confident90.3Very high200 Ų20067.4 Ų67.494%0.93536%0.36SS*.SBendtrans-61.2-30.7171.2-66.3175.8-177.100111.7
75E86Confident90.2Very high82 Ų8269.6 Ų69.638%0.38337%0.37SS..SBendtrans-79.6134.7173.5-64.7-66.9165.300111Y34 S73 A78Y34-E75 HydrophobicContact CD1-CG 4.09Å; Y34-E75 HydrophobicContact CD2-CG 3.81Å; Y34-E75 HydrophobicContact CE1-CB 4.49Å; Y34-E75 HydrophobicContact CE1-CG 4.03Å; Y34-E75 HydrophobicContact CE2-CG 3.76Å; Y34-E75 HydrophobicContact CG-CG 3.98Å; S73-E75 PolarHBondContact O-N 2.83Å; E75-A78 WeakPolarHBondContact O-CB 3.49Å
76Q90.6Very high90Very high141 Ų14173 Ų7366%0.65938%0.384SS*.THydrogen-bonded Turntrans-67.2154.8174.3-64.7180-9.700110.8A78 S94Q76-A78 VanDerWaalsContact C-N 3.25Å; Q76-A78 PolarHBondContact O-N 2.71Å; Q76-S94 PolarHBondContact O-OG 2.91Å
77F94.4Very high89.6Confident61 Ų6176.5 Ų76.527%0.26842%0.423SS..THydrogen-bonded Turntrans55.139.6174.8-42.6-62.6000113.4A95 Q98 Q101F77-A95 HydrophobicContact CB-CB 4.36Å; F77-A95 PolarHBondContact O-N 2.72Å; F77-Q98 HydrophobicContact CD1-CB 3.91Å; F77-Q98 VanDerWaalsContact CD1-OE1 3.27Å; F77-Q98 HydrophobicContact CE1-CB 3.71Å; F77-Q101 HydrophobicContact CB-CB 4.03Å; F77-Q101 HydrophobicContact CB-CG 4.29Å; F77-Q101 WeakPolarHBondContact O-CG 3.4Å; F77-Q101 PolarHBondContact O-NE2 3.3Å
78A95.8Very high89.4Confident6 Ų677.9 Ų77.95%0.0543%0.427CS..EExtended strand (participates in β ladder)trans-85.8144.3-175.500000113.4C71 E75 Q76 F93 Q101C71-A78 PolarHBondContact N-O 2.69Å; E75-A78 WeakPolarHBondContact O-CB 3.49Å; Q76-A78 VanDerWaalsContact C-N 3.25Å; Q76-A78 PolarHBondContact O-N 2.71Å; A78-F93 VanDerWaalsContact CA-O 3.23Å; A78-F93 WeakPolarHBondContact CA-O 3.33Å; A78-Q101 PolarHBondContact O-NE2 3.04Å
79F96.7Very high89.2Confident1 Ų180 Ų800%0.00443%0.432CS..EExtended strand (participates in β ladder)trans-149.3166.9174.965.2-83.2000110.3L24 V68 Q69 F93 Q101 W104 I105 L108L24-F79 HydrophobicContact CD1-CZ 3.93Å; L24-F79 HydrophobicContact CD2-CE1 4Å; L24-F79 HydrophobicContact CD2-CZ 4.05Å; V68-F79 HydrophobicContact CG1-CD2 4.25Å; Q69-F79 CarbonylContact O-C 3.57Å; Q69-F79 VanDerWaalsContact O-CA 3.31Å; Q69-F79 WeakPolarHBondContact O-CA 3.35Å; Q69-F79 WeakPolarHBondContact O-CB 3.43Å; F79-F93 HydrophobicContact CD1-CB 4.18Å; F79-F93 HydrophobicContact CD2-CB 4.3Å; F79-F93 HydrophobicContact CD2-CD2 4.13Å; F79-F93 HydrophobicContact CE1-CB 3.74Å; F79-F93 HydrophobicContact CE2-CB 3.85Å; F79-F93 AromaticContact CE2-CD2 3.66Å; F79-F93 HydrophobicContact CE2-CD2 3.66Å; F79-F93 HydrophobicContact CE2-CG 4.05Å; F79-F93 HydrophobicContact CG-CB 4.45Å; F79-F93 HydrophobicContact CZ-CB 3.56Å; F79-F93 HydrophobicContact CZ-CD2 4.17Å; F79-F93 HydrophobicContact CZ-CG 4.08Å; F79-F93 PolarHBondContact N-O 2.89Å; F79-F93 PolarHBondContact O-N 3.23Å; F79-Q101 HydrophobicContact CD1-CG 3.9Å; F79-Q101 HydrophobicContact CE1-CG 4.41Å; F79-W104 HydrophobicContact CE1-CB 4.41Å; F79-W104 HydrophobicContact CZ-CB 4.03Å; F79-I105 HydrophobicContact CB-CD1 4.19Å; F79-I105 HydrophobicContact CB-CG1 4.38Å; F79-I105 HydrophobicContact CD2-CG1 4.33Å; F79-I105 HydrophobicContact CG-CD1 4.42Å; F79-I105 HydrophobicContact CG-CG1 4.17Å; F79-L108 HydrophobicContact CD2-CD1 4.38Å; F79-L108 HydrophobicContact CE2-CD1 3.55Å; F79-L108 HydrophobicContact CZ-CD1 4.25Å
80S95.5Very high89.1Confident3 Ų378.8 Ų78.82%0.02143%0.431CS..EExtended strand (participates in β ladder)trans-138.8154.4179.871.20000113.6V68 Q69 C71 Y91V68-S80 WeakPolarHBondContact CA-O 3.01Å; Q69-S80 PolarHBondContact N-O 2.89Å; Q69-S80 PolarHBondContact O-N 2.8Å; C71-S80 VanDerWaalsContact SG-CB 3.56Å; C71-S80 PolarHBondContact SG-OG 3.32Å; S80-Y91 CarbonylContact C-O 3.2Å; S80-Y91 WeakPolarHBondContact CA-O 3.21Å; S80-Y91 VanDerWaalsContact CB-O 3.26Å; S80-Y91 WeakPolarHBondContact CB-O 3.46Å
81L94.9Very high89.1Confident0 Ų074.7 Ų74.70%041%0.407CS..EExtended strand (participates in β ladder)trans-103.8122.8166.8-62.3178.3000108.4L46 I61 L63 V68 W83 T90 Y91 F93 L108L46-L81 HydrophobicContact CD2-CD1 4.28Å; I61-L81 HydrophobicContact CG2-CD1 4.35Å; L63-L81 HydrophobicContact CD2-CD1 3.65Å; V68-L81 HydrophobicContact CB-CD2 4.38Å; V68-L81 HydrophobicContact CG1-CD2 4.47Å; V68-L81 HydrophobicContact CG2-CD2 3.73Å; L81-W83 HydrophobicContact CB-CH2 3.7Å; L81-W83 HydrophobicContact CB-CZ3 3.76Å; L81-W83 HydrophobicContact CD1-CH2 4.34Å; L81-W83 WeakPolarHBondContact O-CZ3 3.45Å; L81-T90 WeakPolarHBondContact O-CA 3.49Å; L81-Y91 PolarHBondContact N-O 3.27Å; L81-Y91 PolarHBondContact O-N 2.87Å; L81-F93 HydrophobicContact CB-CE2 4.45Å; L81-F93 HydrophobicContact CD1-CE2 3.75Å; L81-F93 HydrophobicContact CD1-CZ 4.31Å; L81-F93 HydrophobicContact CG-CE2 3.83Å; L81-L108 HydrophobicContact CD2-CD1 4.27Å
82V93.4Very high89.4Confident35 Ų3577 Ų7721%0.21241%0.414CS..EExtended strand (participates in β ladder)trans-124.2144.3-179-172.80000108.7C66 T67 T90C66-V82 CarbonylContact C-O 3.48Å; T67-V82 PolarHBondContact N-O 3.36Å; T67-V82 PolarHBondContact O-N 2.96Å; V82-T90 HydrophobicContact CG2-CG2 3.99Å
83W92.7Very high90.2Very high37 Ų3767.3 Ų67.314%0.1437%0.368CS..EExtended strand (participates in β ladder)trans-113.1145.5171.7-71.5-102.8000109.2I61 V62 E64 C66 L81 E85 L88 R89 Y91I61-W83 HydrophobicContact CG2-CH2 3.72Å; I61-W83 HydrophobicContact CG2-CZ2 3.99Å; V62-W83 VanDerWaalsContact O-CZ2 3.31Å; V62-W83 WeakPolarHBondContact O-CZ2 3.42Å; E64-W83 VanDerWaalsContact O-CD1 3.28Å; E64-W83 PolarHBondContact O-NE1 2.77Å; C66-W83 HydrophobicContact CB-CD2 4.24Å; C66-W83 HydrophobicContact CB-CH2 4.18Å; C66-W83 HydrophobicContact CB-CZ2 3.52Å; L81-W83 HydrophobicContact CB-CH2 3.7Å; L81-W83 HydrophobicContact CB-CZ3 3.76Å; L81-W83 HydrophobicContact CD1-CH2 4.34Å; L81-W83 WeakPolarHBondContact O-CZ3 3.45Å; W83-E85 PolarHBondContact O-N 3.06Å; W83-L88 HydrophobicContact CB-CB 3.92Å; W83-L88 HydrophobicContact CB-CD1 3.55Å; W83-L88 HydrophobicContact CB-CG 4.33Å; W83-L88 HydrophobicContact CG-CB 4.39Å; W83-L88 HydrophobicContact CG-CD1 3.72Å; W83-R89 VanDerWaalsContact CZ3-O 3.25Å; W83-R89 WeakPolarHBondContact CZ3-O 3.17Å; W83-Y91 AromaticContact CH2-CD2 3.54Å; W83-Y91 HydrophobicContact CH2-CD2 3.54Å; W83-Y91 AromaticContact CH2-CE2 3.75Å; W83-Y91 HydrophobicContact CH2-CE2 3.75Å; W83-Y91 AromaticContact CZ3-CD2 3.49Å; W83-Y91 HydrophobicContact CZ3-CD2 3.49Å; W83-Y91 VanDerWaalsContact CZ3-CD2 3.49Å; W83-Y91 AromaticContact CZ3-CE2 3.83Å; W83-Y91 HydrophobicContact CZ3-CE2 3.83Å
84S87.9Confident91Very high105 Ų10565.3 Ų65.373%0.73436%0.355SS*.SBendtrans-68.6-25.7178.7-55.10000112.8
85E87.2Confident91.9Very high132 Ų13256.1 Ų56.162%0.61731%0.312SS*.SBendtrans-70.9126.6-180-69-61.3133.200111.5W83 L88W83-E85 PolarHBondContact O-N 3.06Å; E85-L88 HydrophobicContact CB-CD1 3.72Å; E85-L88 HydrophobicContact CB-CG 3.98Å; E85-L88 HydrophobicContact CG-CD1 4.46Å; E85-L88 PolarHBondContact O-N 2.78Å
86P84.1Confident92.4Very high120 Ų12059 Ų5978%0.77933%0.326SS*.THydrogen-bonded Turntrans-64.4138.7-179.324-30.6000111.5L88P86-L88 VanDerWaalsContact C-N 3.34Å
87G82.4Confident92.6Very high88 Ų8854.8 Ų54.891%0.90731%0.308SS*.THydrogen-bonded Turntrans86.4-1.9179.400000114.9
88L87.2Confident92.7Very high93 Ų9356 Ų5649%0.48732%0.315SS..PPolyproline II helixtrans-77.6145.7168.5-65.2-170.1000111.6W83 E85 P86W83-L88 HydrophobicContact CB-CB 3.92Å; W83-L88 HydrophobicContact CB-CD1 3.55Å; W83-L88 HydrophobicContact CB-CG 4.33Å; W83-L88 HydrophobicContact CG-CB 4.39Å; W83-L88 HydrophobicContact CG-CD1 3.72Å; E85-L88 HydrophobicContact CB-CD1 3.72Å; E85-L88 HydrophobicContact CB-CG 3.98Å; E85-L88 HydrophobicContact CG-CD1 4.46Å; E85-L88 PolarHBondContact O-N 2.78Å; P86-L88 VanDerWaalsContact C-N 3.34Å
89R90Very high92.8Very high68 Ų6858.8 Ų58.826%0.25734%0.338SS..PPolyproline II helixtrans-71.9128.6-176.2175.6175.51751792.3111.2E29 W83 Y91E29-R89 WeakPolarHBondContact OE2-CD 3.44Å; E29-R89 IonicContact OE2-CZ 3.05Å; E29-R89 IonicContact OE2-NE 3.33Å; E29-R89 PolarHBondContact OE2-NE 3.23Å; E29-R89 IonicContact OE2-NH1 2.76Å; E29-R89 PolarHBondContact OE2-NH1 3.42Å; E29-R89 IonicContact OE2-NH2 3.76Å; W83-R89 VanDerWaalsContact CZ3-O 3.25Å; W83-R89 WeakPolarHBondContact CZ3-O 3.17Å; R89-Y91 HydrophobicContact CB-CE2 4.45Å; R89-Y91 HydrophobicContact CG-CD1 4.43Å; R89-Y91 HydrophobicContact CG-CE1 4.11Å; R89-Y91 HydrophobicContact CG-CE2 4.3Å; R89-Y91 VanDerWaalsContact CZ-CE1 3.47Å
90T92.3Very high92.8Very high68 Ų6860.1 Ų60.142%0.41735%0.347SS..PPolyproline II helixtrans-78.3129.8164.7-55.70000110.6L81 V82 K92L81-T90 WeakPolarHBondContact O-CA 3.49Å; V82-T90 HydrophobicContact CG2-CG2 3.99Å; T90-K92 HydrophobicContact CG2-CG 4.33Å
91Y94.4Very high92.8Very high40 Ų4060.4 Ų60.416%0.15735%0.348CS..EExtended strand (participates in β ladder)trans-103125.3171.3-61.7-82.3000110I61 S80 L81 W83 R89 F93I61-Y91 HydrophobicContact CD1-CD1 3.79Å; I61-Y91 HydrophobicContact CD1-CD2 4.01Å; I61-Y91 HydrophobicContact CD1-CE1 3.87Å; I61-Y91 HydrophobicContact CD1-CE2 4.14Å; I61-Y91 HydrophobicContact CD1-CG 3.84Å; I61-Y91 HydrophobicContact CG1-CD1 4.46Å; I61-Y91 HydrophobicContact CG1-CD2 4.35Å; I61-Y91 HydrophobicContact CG1-CE1 4.06Å; I61-Y91 HydrophobicContact CG1-CE2 4Å; I61-Y91 HydrophobicContact CG2-CD2 3.99Å; I61-Y91 HydrophobicContact CG2-CE2 3.78Å; S80-Y91 CarbonylContact C-O 3.2Å; S80-Y91 WeakPolarHBondContact CA-O 3.21Å; S80-Y91 VanDerWaalsContact CB-O 3.26Å; S80-Y91 WeakPolarHBondContact CB-O 3.46Å; L81-Y91 PolarHBondContact N-O 3.27Å; L81-Y91 PolarHBondContact O-N 2.87Å; W83-Y91 AromaticContact CH2-CD2 3.54Å; W83-Y91 HydrophobicContact CH2-CD2 3.54Å; W83-Y91 AromaticContact CH2-CE2 3.75Å; W83-Y91 HydrophobicContact CH2-CE2 3.75Å; W83-Y91 AromaticContact CZ3-CD2 3.49Å; W83-Y91 HydrophobicContact CZ3-CD2 3.49Å; W83-Y91 VanDerWaalsContact CZ3-CD2 3.49Å; W83-Y91 AromaticContact CZ3-CE2 3.83Å; W83-Y91 HydrophobicContact CZ3-CE2 3.83Å; R89-Y91 HydrophobicContact CB-CE2 4.45Å; R89-Y91 HydrophobicContact CG-CD1 4.43Å; R89-Y91 HydrophobicContact CG-CE1 4.11Å; R89-Y91 HydrophobicContact CG-CE2 4.3Å; R89-Y91 VanDerWaalsContact CZ-CE1 3.47Å; Y91-F93 VanDerWaalsContact CB-CE2 3.49Å; Y91-F93 HydrophobicContact CG-CZ 4.29Å
92K95Very high92.9Very high84 Ų8465.6 Ų65.637%0.36537%0.372SS..EExtended strand (participates in β ladder)trans-106.2135.3174.5-62.5-171.6175.8-168.10110K27 T90K27-K92 HydrophobicContact CB-CB 3.93Å; K27-K92 HydrophobicContact CD-CB 4.39Å; K27-K92 HydrophobicContact CD-CD 4.16Å; K27-K92 PolarHBondContact N-O 3.13Å; T90-K92 HydrophobicContact CG2-CG 4.33Å
93F96.7Very high93.2Very high1 Ų166.4 Ų66.40%0.00438%0.379CS..EExtended strand (participates in β ladder)trans-128.1158.5-178.8-55.2-77.5000110.6L24 S25 K26 F39 I61 A78 F79 L81 Y91L24-F93 HydrophobicContact CB-CD1 4.39Å; L24-F93 HydrophobicContact CD1-CD1 4.28Å; L24-F93 HydrophobicContact CD1-CG 4.45Å; S25-F93 CarbonylContact O-C 3.57Å; S25-F93 WeakPolarHBondContact O-CA 3.29Å; K26-F93 HydrophobicContact CB-CD1 3.95Å; K26-F93 HydrophobicContact CB-CE1 3.99Å; K26-F93 HydrophobicContact CD-CE1 3.99Å; K26-F93 HydrophobicContact CG-CD1 4.12Å; K26-F93 HydrophobicContact CG-CE1 3.76Å; F39-F93 HydrophobicContact CE1-CD1 4.47Å; F39-F93 AromaticContact CE1-CE1 3.66Å; F39-F93 HydrophobicContact CE1-CE1 3.66Å; F39-F93 HydrophobicContact CE1-CZ 4.34Å; F39-F93 HydrophobicContact CE2-CE1 4.46Å; F39-F93 HydrophobicContact CZ-CD1 4.08Å; F39-F93 AromaticContact CZ-CE1 3.57Å; F39-F93 HydrophobicContact CZ-CE1 3.57Å; I61-F93 HydrophobicContact CD1-CZ 3.94Å; A78-F93 VanDerWaalsContact CA-O 3.23Å; A78-F93 WeakPolarHBondContact CA-O 3.33Å; F79-F93 HydrophobicContact CD1-CB 4.18Å; F79-F93 HydrophobicContact CD2-CB 4.3Å; F79-F93 HydrophobicContact CD2-CD2 4.13Å; F79-F93 HydrophobicContact CE1-CB 3.74Å; F79-F93 HydrophobicContact CE2-CB 3.85Å; F79-F93 AromaticContact CE2-CD2 3.66Å; F79-F93 HydrophobicContact CE2-CD2 3.66Å; F79-F93 HydrophobicContact CE2-CG 4.05Å; F79-F93 HydrophobicContact CG-CB 4.45Å; F79-F93 HydrophobicContact CZ-CB 3.56Å; F79-F93 HydrophobicContact CZ-CD2 4.17Å; F79-F93 HydrophobicContact CZ-CG 4.08Å; F79-F93 PolarHBondContact N-O 2.89Å; F79-F93 PolarHBondContact O-N 3.23Å; L81-F93 HydrophobicContact CB-CE2 4.45Å; L81-F93 HydrophobicContact CD1-CE2 3.75Å; L81-F93 HydrophobicContact CD1-CZ 4.31Å; L81-F93 HydrophobicContact CG-CE2 3.83Å; Y91-F93 VanDerWaalsContact CB-CE2 3.49Å; Y91-F93 HydrophobicContact CG-CZ 4.29Å
94S96.4Very high93.4Very high7 Ų764.9 Ų64.95%0.04937%0.373CS..EExtended strand (participates in β ladder)trans-138.2137.1166.6159.40000108.2S25 Q76S25-S94 PolarHBondContact N-O 3.04Å; S25-S94 PolarHBondContact O-N 3.05Å; Q76-S94 PolarHBondContact O-OG 2.91Å
95A96.7Very high93.8Very high6 Ų661.2 Ų61.25%0.0535%0.345CS..  trans-96.5164.917400000110.7L24 F77 D97 Q101L24-A95 HydrophobicContact CD2-CB 3.99Å; F77-A95 HydrophobicContact CB-CB 4.36Å; F77-A95 PolarHBondContact O-N 2.72Å; A95-D97 VanDerWaalsContact C-N 3.34Å; A95-Q101 HydrophobicContact CB-CB 3.91Å
96E95.3Very high94.2Very high142 Ų14262.7 Ų62.766%0.66435%0.35SS*.SBendtrans-73.7-26.6-179.868-167.5168.200113.4
97D96.1Very high94.8Very high54 Ų5457.5 Ų57.529%0.28932%0.317SS..SBendtrans-152.4167.8-179.471.389.7000111.5A95 A99 S100 Q101A95-D97 VanDerWaalsContact C-N 3.34Å; D97-A99 PolarHBondContact O-N 2.78Å; D97-A99 WeakPolarHBondContact OD1-CA 3.49Å; D97-A99 VanDerWaalsContact OD1-CB 3.27Å; D97-A99 WeakPolarHBondContact OD1-CB 3.49Å; D97-A99 PolarHBondContact OD1-N 2.61Å; D97-S100 PolarHBondContact O-N 3.41Å; D97-S100 PolarHBondContact OD1-N 3.34Å; D97-S100 WeakPolarHBondContact OD2-CB 3.47Å; D97-S100 PolarHBondContact OD2-OG 2.81Å; D97-Q101 PolarHBondContact O-N 3.39Å
98Q96.1Very high95.4Very high87 Ų8753.3 Ų53.341%0.40727%0.274SS..Hα-helixtrans-60.3-43-179.7-177.766.22400112.9F77 S100 Q101 E102F77-Q98 HydrophobicContact CD1-CB 3.91Å; F77-Q98 VanDerWaalsContact CD1-OE1 3.27Å; F77-Q98 HydrophobicContact CE1-CB 3.71Å; Q98-S100 VanDerWaalsContact C-N 3.35Å; Q98-Q101 WeakPolarHBondContact O-CB 3.45Å; Q98-Q101 PolarHBondContact O-N 2.93Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.48Å; Q98-E102 PolarHBondContact NE2-OE1 3.44Å; Q98-E102 WeakPolarHBondContact O-CG 3.45Å; Q98-E102 PolarHBondContact O-N 3.27Å
99A96.9Very high95.7Very high64 Ų6453 Ų5353%0.52927%0.272SS..Hα-helixtrans-68.8-38.6-177.900000110.8D97 E102 S103D97-A99 PolarHBondContact O-N 2.78Å; D97-A99 WeakPolarHBondContact OD1-CA 3.49Å; D97-A99 VanDerWaalsContact OD1-CB 3.27Å; D97-A99 WeakPolarHBondContact OD1-CB 3.49Å; D97-A99 PolarHBondContact OD1-N 2.61Å; A99-E102 PolarHBondContact O-N 3.02Å; A99-S103 VanDerWaalsContact O-CB 3.22Å; A99-S103 WeakPolarHBondContact O-CB 3.19Å; A99-S103 PolarHBondContact O-N 3.11Å
100S96.9Very high95.7Very high28 Ų2852.3 Ų52.320%0.19628%0.278CS..Hα-helixtrans-60.4-44.7171.1-73.10000111.8D97 Q98 S103 W104D97-S100 PolarHBondContact O-N 3.41Å; D97-S100 PolarHBondContact OD1-N 3.34Å; D97-S100 WeakPolarHBondContact OD2-CB 3.47Å; D97-S100 PolarHBondContact OD2-OG 2.81Å; Q98-S100 VanDerWaalsContact C-N 3.35Å; S100-S103 PolarHBondContact O-N 3.42Å; S100-W104 WeakPolarHBondContact O-CB 3.39Å; S100-W104 PolarHBondContact O-N 3.17Å
101Q97.1Very high95.7Very high10 Ų1049.3 Ų49.35%0.04726%0.26CS..Hα-helixtrans-58.9-52.1176.2-171.3-167.624.900111.7F77 A78 F79 A95 D97 Q98 S103 W104 I105F77-Q101 HydrophobicContact CB-CB 4.03Å; F77-Q101 HydrophobicContact CB-CG 4.29Å; F77-Q101 WeakPolarHBondContact O-CG 3.4Å; F77-Q101 PolarHBondContact O-NE2 3.3Å; A78-Q101 PolarHBondContact O-NE2 3.04Å; F79-Q101 HydrophobicContact CD1-CG 3.9Å; F79-Q101 HydrophobicContact CE1-CG 4.41Å; A95-Q101 HydrophobicContact CB-CB 3.91Å; D97-Q101 PolarHBondContact O-N 3.39Å; Q98-Q101 WeakPolarHBondContact O-CB 3.45Å; Q98-Q101 PolarHBondContact O-N 2.93Å; Q101-S103 VanDerWaalsContact C-N 3.31Å; Q101-S103 PolarHBondContact O-N 3.45Å; Q101-W104 PolarHBondContact O-N 2.93Å; Q101-I105 HydrophobicContact CG-CD1 3.84Å; Q101-I105 HydrophobicContact CG-CG1 4.49Å; Q101-I105 WeakPolarHBondContact O-CG1 3.48Å; Q101-I105 PolarHBondContact O-N 2.91Å
102E96.9Very high95.2Very high108 Ų10848 Ų4851%0.50526%0.256SS..Hα-helixtrans-60-43.1179.6-73173.7-172.400111.5Q98 A99 W104 I105 K106Q98-E102 WeakPolarHBondContact CG-OE1 3.48Å; Q98-E102 PolarHBondContact NE2-OE1 3.44Å; Q98-E102 WeakPolarHBondContact O-CG 3.45Å; Q98-E102 PolarHBondContact O-N 3.27Å; A99-E102 PolarHBondContact O-N 3.02Å; E102-W104 VanDerWaalsContact C-N 3.33Å; E102-W104 PolarHBondContact O-N 3.41Å; E102-I105 PolarHBondContact O-N 3.24Å; E102-K106 VanDerWaalsContact O-CB 3.28Å; E102-K106 WeakPolarHBondContact O-CB 3.15Å; E102-K106 PolarHBondContact O-N 2.99Å
103S97.8Very high94.5Very high52 Ų5248.4 Ų48.436%0.36426%0.259SS..Hα-helixtrans-62.3-40.5176.7-172.30000111.9K20 A99 S100 Q101 A107K20-S103 WeakPolarHBondContact CE-OG 3.48Å; K20-S103 PolarHBondContact NZ-OG 3.33Å; A99-S103 VanDerWaalsContact O-CB 3.22Å; A99-S103 WeakPolarHBondContact O-CB 3.19Å; A99-S103 PolarHBondContact O-N 3.11Å; S100-S103 PolarHBondContact O-N 3.42Å; Q101-S103 VanDerWaalsContact C-N 3.31Å; Q101-S103 PolarHBondContact O-N 3.45Å; S103-A107 WeakPolarHBondContact O-CB 3.22Å; S103-A107 PolarHBondContact O-N 2.88Å; S103-A107 VanDerWaalsContact O-N 3.11Å
104W97.8Very high93.7Very high5 Ų552 Ų522%0.01928%0.284CS..Hα-helixtrans-67.5-46.9175.3-85.9113.5000112.4K20 L24 F39 L46 F79 S100 Q101 E102 K106 A107 L108K20-W104 HydrophobicContact CB-CZ3 4.2Å; K20-W104 HydrophobicContact CD-CD2 3.73Å; K20-W104 HydrophobicContact CD-CE3 3.66Å; K20-W104 HydrophobicContact CD-CG 4.19Å; K20-W104 HydrophobicContact CD-CH2 4.45Å; K20-W104 HydrophobicContact CD-CZ3 4.03Å; K20-W104 VanDerWaalsContact CE-CE2 3.49Å; K20-W104 VanDerWaalsContact CE-CG 3.41Å; K20-W104 HydrophobicContact CG-CD2 4.36Å; K20-W104 HydrophobicContact CG-CE3 4.13Å; K20-W104 HydrophobicContact CG-CH2 4.06Å; K20-W104 HydrophobicContact CG-CZ2 4.31Å; K20-W104 HydrophobicContact CG-CZ3 3.96Å; L24-W104 HydrophobicContact CD1-CD2 3.78Å; L24-W104 HydrophobicContact CD1-CE3 4.14Å; L24-W104 HydrophobicContact CD1-CG 4.11Å; L24-W104 HydrophobicContact CD1-CZ2 4.22Å; L24-W104 HydrophobicContact CD2-CD2 4.38Å; L24-W104 HydrophobicContact CD2-CG 3.99Å; L24-W104 HydrophobicContact CG-CD2 4.2Å; L24-W104 HydrophobicContact CG-CG 4.34Å; L24-W104 HydrophobicContact CG-CZ2 4.25Å; F39-W104 HydrophobicContact CB-CH2 3.55Å; F39-W104 HydrophobicContact CB-CZ2 4.02Å; F39-W104 HydrophobicContact CB-CZ3 4.27Å; L46-W104 HydrophobicContact CD1-CZ3 4.14Å; F79-W104 HydrophobicContact CE1-CB 4.41Å; F79-W104 HydrophobicContact CZ-CB 4.03Å; S100-W104 WeakPolarHBondContact O-CB 3.39Å; S100-W104 PolarHBondContact O-N 3.17Å; Q101-W104 PolarHBondContact O-N 2.93Å; E102-W104 VanDerWaalsContact C-N 3.33Å; E102-W104 PolarHBondContact O-N 3.41Å; W104-K106 VanDerWaalsContact C-N 3.31Å; W104-K106 PolarHBondContact O-N 3.41Å; W104-A107 PolarHBondContact O-N 3.4Å; W104-L108 WeakPolarHBondContact O-CB 3.27Å; W104-L108 WeakPolarHBondContact O-CD1 3.32Å; W104-L108 WeakPolarHBondContact O-CG 3.34Å; W104-L108 PolarHBondContact O-N 2.85Å
105I96.4Very high93.1Very high29 Ų2957.2 Ų57.215%0.14930%0.304CS..Hα-helixtrans-58.5-46.4177.3-70.1171.5000110.1V68 L70 F79 Q101 E102 A107 L108 L109V68-I105 HydrophobicContact CG1-CB 4.46Å; V68-I105 HydrophobicContact CG1-CG1 4.06Å; V68-I105 HydrophobicContact CG1-CG2 4.12Å; L70-I105 HydrophobicContact CD2-CD1 3.47Å; L70-I105 VanDerWaalsContact CD2-CD1 3.47Å; L70-I105 HydrophobicContact CG-CD1 4.39Å; F79-I105 HydrophobicContact CB-CD1 4.19Å; F79-I105 HydrophobicContact CB-CG1 4.38Å; F79-I105 HydrophobicContact CD2-CG1 4.33Å; F79-I105 HydrophobicContact CG-CD1 4.42Å; F79-I105 HydrophobicContact CG-CG1 4.17Å; Q101-I105 HydrophobicContact CG-CD1 3.84Å; Q101-I105 HydrophobicContact CG-CG1 4.49Å; Q101-I105 WeakPolarHBondContact O-CG1 3.48Å; Q101-I105 PolarHBondContact O-N 2.91Å; E102-I105 PolarHBondContact O-N 3.24Å; I105-A107 PolarHBondContact O-N 3.48Å; I105-L108 PolarHBondContact O-N 3.44Å; I105-L109 HydrophobicContact CG2-CD1 3.76Å; I105-L109 HydrophobicContact CG2-CG 4.29Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.27Å; I105-L109 WeakPolarHBondContact O-CG 3.27Å; I105-L109 PolarHBondContact O-N 3.28Å
106K95.8Very high92.6Very high162 Ų16260.2 Ų60.270%0.70432%0.319SS*.Hα-helixtrans-57.7-48.1177.9-175.4177.5-180179.90111.8E102 W104 L109 S110E102-K106 VanDerWaalsContact O-CB 3.28Å; E102-K106 WeakPolarHBondContact O-CB 3.15Å; E102-K106 PolarHBondContact O-N 2.99Å; W104-K106 VanDerWaalsContact C-N 3.31Å; W104-K106 PolarHBondContact O-N 3.41Å; K106-L109 PolarHBondContact O-N 3.42Å; K106-S110 PolarHBondContact O-N 3.12Å; K106-S110 PolarHBondContact O-OG 3.17Å
107A96.2Very high92.2Very high11 Ų1155.3 Ų55.39%0.09130%0.302CS..Hα-helixtrans-64.2-41179.700000112.4K20 L41 S103 W104 I105 S110 A111K20-A107 HydrophobicContact CB-CB 3.89Å; K20-A107 HydrophobicContact CD-CB 3.62Å; K20-A107 HydrophobicContact CG-CB 4.39Å; L41-A107 HydrophobicContact CD2-CB 3.78Å; S103-A107 WeakPolarHBondContact O-CB 3.22Å; S103-A107 PolarHBondContact O-N 2.88Å; S103-A107 VanDerWaalsContact O-N 3.11Å; W104-A107 PolarHBondContact O-N 3.4Å; I105-A107 PolarHBondContact O-N 3.48Å; A107-S110 WeakPolarHBondContact CA-OG 3.15Å; A107-S110 PolarHBondContact O-N 2.82Å; A107-S110 PolarHBondContact O-OG 3.48Å; A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.27Å
108L95.5Very high91.9Very high1 Ų158.8 Ų58.81%0.00532%0.32CS..Hα-helixtrans-66.8-38.1177.8-68.1166.4000112.1L46 L63 V68 F79 L81 W104 I105 A111 S112L46-L108 HydrophobicContact CD1-CD2 4.49Å; L46-L108 HydrophobicContact CD2-CD2 4Å; L63-L108 HydrophobicContact CD1-CD2 3.75Å; L63-L108 HydrophobicContact CD2-CD2 4.11Å; V68-L108 HydrophobicContact CG2-CB 3.87Å; F79-L108 HydrophobicContact CD2-CD1 4.38Å; F79-L108 HydrophobicContact CE2-CD1 3.55Å; F79-L108 HydrophobicContact CZ-CD1 4.25Å; L81-L108 HydrophobicContact CD2-CD1 4.27Å; W104-L108 WeakPolarHBondContact O-CB 3.27Å; W104-L108 WeakPolarHBondContact O-CD1 3.32Å; W104-L108 WeakPolarHBondContact O-CG 3.34Å; W104-L108 PolarHBondContact O-N 2.85Å; I105-L108 PolarHBondContact O-N 3.44Å; L108-A111 PolarHBondContact O-N 2.68Å; L108-S112 PolarHBondContact O-N 3.19Å
109L93Very high91.6Very high87 Ų8758 Ų5846%0.45532%0.319SS..Hα-helixtrans-67.3-40.5175.3-70.9172.8000111.9V68 I105 K106 A111 S112V68-L109 HydrophobicContact CB-CD2 4.02Å; V68-L109 HydrophobicContact CB-CG 4.43Å; V68-L109 HydrophobicContact CG2-CD2 3.79Å; V68-L109 HydrophobicContact CG2-CG 4.11Å; I105-L109 HydrophobicContact CG2-CD1 3.76Å; I105-L109 HydrophobicContact CG2-CG 4.29Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.27Å; I105-L109 WeakPolarHBondContact O-CG 3.27Å; I105-L109 PolarHBondContact O-N 3.28Å; K106-L109 PolarHBondContact O-N 3.42Å; L109-A111 VanDerWaalsContact C-N 3.26Å; L109-A111 PolarHBondContact O-N 3.3Å; L109-S112 VanDerWaalsContact O-CB 3.29Å; L109-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 PolarHBondContact O-N 3.33Å; L109-S112 PolarHBondContact O-OG 3.02Å
110S90.8Very high91.4Very high52 Ų5258.8 Ų58.836%0.36432%0.317SS..Hα-helixtrans-68.2-25.3174.653.80000113.4K106 A107 S112 Y115K106-S110 PolarHBondContact O-N 3.12Å; K106-S110 PolarHBondContact O-OG 3.17Å; A107-S110 WeakPolarHBondContact CA-OG 3.15Å; A107-S110 PolarHBondContact O-N 2.82Å; A107-S110 PolarHBondContact O-OG 3.48Å; S110-S112 VanDerWaalsContact C-N 3.28Å; S110-Y115 WeakPolarHBondContact O-CD1 3.45Å
111A90.8Very high91.3Very high5 Ų561.4 Ų61.44%0.04133%0.332CS..THydrogen-bonded Turntrans-81.6-5.3175.100000113.6L41 G43 L63 A107 L108 L109L41-A111 HydrophobicContact CD1-CB 3.99Å; L41-A111 HydrophobicContact CD2-CB 4.09Å; L41-A111 HydrophobicContact CG-CB 4.45Å; G43-A111 WeakPolarHBondContact O-CB 3.21Å; L63-A111 HydrophobicContact CD1-CB 3.76Å; A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.27Å; L108-A111 PolarHBondContact O-N 2.68Å; L109-A111 VanDerWaalsContact C-N 3.26Å; L109-A111 PolarHBondContact O-N 3.3Å
112S85.5Confident91.2Very high12 Ų1264.3 Ų64.38%0.08435%0.348CS..SBendtrans-69.2142.5-177.970.60000112L108 L109 S110 S114 Y115 L116L108-S112 PolarHBondContact O-N 3.19Å; L109-S112 VanDerWaalsContact O-CB 3.29Å; L109-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 PolarHBondContact O-N 3.33Å; L109-S112 PolarHBondContact O-OG 3.02Å; S110-S112 VanDerWaalsContact C-N 3.28Å; S112-S114 VanDerWaalsContact C-N 3.25Å; S112-S114 PolarHBondContact O-N 3.39Å; S112-S114 PolarHBondContact OG-OG 3.38Å; S112-Y115 PolarHBondContact O-N 2.86Å; S112-Y115 WeakPolarHBondContact OG-CB 3.48Å; S112-L116 PolarHBondContact O-N 2.93Å; S112-L116 VanDerWaalsContact O-N 3.12Å
113H80.4Confident91.1Very high93 Ų9363.2 Ų63.243%0.43134%0.344SS..Hα-helixtrans-55.9-40.5179.1179.796.8000112.3E64 Y115 L116 A117E64-H113 IonicContact OE1-CE1 2.87Å; E64-H113 PolarHBondContact OE1-CE1 3.43Å; E64-H113 IonicContact OE1-CG 3.51Å; E64-H113 IonicContact OE1-ND1 3.64Å; E64-H113 PolarHBondContact OE1-ND1 3.19Å; E64-H113 IonicContact OE2-ND1 3.42Å; H113-Y115 VanDerWaalsContact C-N 3.33Å; H113-Y115 PolarHBondContact O-N 2.92Å; H113-L116 PolarHBondContact O-N 2.86Å; H113-A117 WeakPolarHBondContact O-CB 3.31Å; H113-A117 PolarHBondContact O-N 3.35Å
114S79.8Confident90.9Very high76 Ų7665.2 Ų65.253%0.53135%0.347SS..Hα-helixtrans-60.9-42.218049.80000112.1S112 L118S112-S114 VanDerWaalsContact C-N 3.25Å; S112-S114 PolarHBondContact O-N 3.39Å; S112-S114 PolarHBondContact OG-OG 3.38Å; S114-L118 VanDerWaalsContact O-CG 3.31Å; S114-L118 WeakPolarHBondContact O-CG 3.4Å; S114-L118 PolarHBondContact O-N 3.46Å; S114-L118 VanDerWaalsContact O-N 3.12Å
115Y83.7Confident90.9Very high117 Ų11770.5 Ų70.546%0.45937%0.37SS..Hα-helixtrans-65-47.4175.6178.9-100.2000111.7S110 S112 H113 A117 L118 L119S110-Y115 WeakPolarHBondContact O-CD1 3.45Å; S112-Y115 PolarHBondContact O-N 2.86Å; S112-Y115 WeakPolarHBondContact OG-CB 3.48Å; H113-Y115 VanDerWaalsContact C-N 3.33Å; H113-Y115 PolarHBondContact O-N 2.92Å; Y115-A117 PolarHBondContact O-N 3.36Å; Y115-L118 PolarHBondContact O-N 3.32Å; Y115-L119 HydrophobicContact CE1-CD2 4.41Å; Y115-L119 WeakPolarHBondContact O-CB 3.46Å; Y115-L119 PolarHBondContact O-N 2.88Å
116L85.9Confident90.8Very high69 Ų6973.9 Ų73.936%0.36139%0.385SS..Hα-helixtrans-62-41.8179.4-65.1175.2000112S112 H113 L119 V120S112-L116 PolarHBondContact O-N 2.93Å; S112-L116 VanDerWaalsContact O-N 3.12Å; H113-L116 PolarHBondContact O-N 2.86Å; L116-L119 PolarHBondContact O-N 3.32Å; L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.47Å; L116-V120 PolarHBondContact O-N 3.41Å
117A86.8Confident90.7Very high39 Ų3973.4 Ų73.432%0.32238%0.38SS..Hα-helixtrans-63.6-41.9177.200000112.4H113 Y115 T121H113-A117 WeakPolarHBondContact O-CB 3.31Å; H113-A117 PolarHBondContact O-N 3.35Å; Y115-A117 PolarHBondContact O-N 3.36Å; A117-T121 WeakPolarHBondContact O-CB 3.28Å; A117-T121 PolarHBondContact O-N 2.94Å; A117-T121 PolarHBondContact O-OG1 3.19Å
118L89.7Confident90.6Very high127 Ų12778.6 Ų78.667%0.66540%0.397SS*.Hα-helixtrans-63.8-44.5175.1-75.3170.5000111.6S114 Y115 T121 D122S114-L118 VanDerWaalsContact O-CG 3.31Å; S114-L118 WeakPolarHBondContact O-CG 3.4Å; S114-L118 PolarHBondContact O-N 3.46Å; S114-L118 VanDerWaalsContact O-N 3.12Å; Y115-L118 PolarHBondContact O-N 3.32Å; L118-T121 PolarHBondContact O-N 3.12Å; L118-D122 WeakPolarHBondContact O-CB 3.34Å; L118-D122 PolarHBondContact O-N 3Å
119L89.7Confident90.5Very high72 Ų7282 Ų8238%0.37742%0.416SS..Hα-helixtrans-62.2-45.5177.9-179.563.1000111.7Y115 L116 T121 D122 M123Y115-L119 HydrophobicContact CE1-CD2 4.41Å; Y115-L119 WeakPolarHBondContact O-CB 3.46Å; Y115-L119 PolarHBondContact O-N 2.88Å; L116-L119 PolarHBondContact O-N 3.32Å; L119-T121 VanDerWaalsContact C-N 3.33Å; L119-T121 PolarHBondContact O-N 3.3Å; L119-D122 PolarHBondContact O-N 2.77Å; L119-M123 HydrophobicContact CD1-CE 4.44Å; L119-M123 HydrophobicContact CD1-CG 4.21Å; L119-M123 HydrophobicContact CG-CG 4.41Å; L119-M123 WeakPolarHBondContact O-CB 3.38Å; L119-M123 VanDerWaalsContact O-CG 3.24Å; L119-M123 WeakPolarHBondContact O-CG 3.38Å; L119-M123 PolarHBondContact O-N 3.26Å
120V91.9Very high90.5Very high79 Ų7980.4 Ų80.448%0.47942%0.415SS..Hα-helixtrans-59.8-46.1176.3169.60000110.6L116 D122 M123 E124L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.47Å; L116-V120 PolarHBondContact O-N 3.41Å; V120-D122 VanDerWaalsContact C-N 3.33Å; V120-D122 PolarHBondContact O-N 2.91Å; V120-M123 PolarHBondContact O-N 3.35Å; V120-E124 HydrophobicContact CG1-CG 4.38Å; V120-E124 WeakPolarHBondContact O-CB 3.5Å; V120-E124 WeakPolarHBondContact O-CG 3.43Å; V120-E124 PolarHBondContact O-N 2.94Å
121T94.9Very high90.4Very high83 Ų8382.1 Ų82.151%0.50942%0.42SS..Hα-helixtrans-60.6-42.5178.9-55.70000111.9A117 L118 L119 K125A117-T121 WeakPolarHBondContact O-CB 3.28Å; A117-T121 PolarHBondContact O-N 2.94Å; A117-T121 PolarHBondContact O-OG1 3.19Å; L118-T121 PolarHBondContact O-N 3.12Å; L119-T121 VanDerWaalsContact C-N 3.33Å; L119-T121 PolarHBondContact O-N 3.3Å; T121-K125 PolarHBondContact O-N 2.98Å; T121-K125 VanDerWaalsContact O-N 3.13Å
122D95.3Very high90.1Very high72 Ų7288.4 Ų88.439%0.38545%0.448SS..Hα-helixtrans-65.6-47177-17468.2000111.8L118 L119 V120 E124 K125 Q126L118-D122 WeakPolarHBondContact O-CB 3.34Å; L118-D122 PolarHBondContact O-N 3Å; L119-D122 PolarHBondContact O-N 2.77Å; V120-D122 VanDerWaalsContact C-N 3.33Å; V120-D122 PolarHBondContact O-N 2.91Å; D122-E124 PolarHBondContact O-N 3.21Å; D122-K125 WeakPolarHBondContact O-CB 3.24Å; D122-K125 PolarHBondContact O-N 3.02Å; D122-K125 VanDerWaalsContact O-N 3.11Å; D122-Q126 WeakPolarHBondContact O-CG 3.43Å; D122-Q126 PolarHBondContact O-N 2.84Å; D122-Q126 PolarHBondContact OD2-NE2 3.49Å
123M94.6Very high89.6Confident85 Ų8594.3 Ų94.342%0.41948%0.478SS..Hα-helixtrans-60.7-42.3177.1-70.5-64.9100.800112.4L119 V120 K125 Q126 Y127L119-M123 HydrophobicContact CD1-CE 4.44Å; L119-M123 HydrophobicContact CD1-CG 4.21Å; L119-M123 HydrophobicContact CG-CG 4.41Å; L119-M123 WeakPolarHBondContact O-CB 3.38Å; L119-M123 VanDerWaalsContact O-CG 3.24Å; L119-M123 WeakPolarHBondContact O-CG 3.38Å; L119-M123 PolarHBondContact O-N 3.26Å; V120-M123 PolarHBondContact O-N 3.35Å; M123-K125 VanDerWaalsContact C-N 3.29Å; M123-K125 PolarHBondContact O-N 3.41Å; M123-Q126 VanDerWaalsContact CE-CD 3.43Å; M123-Q126 HydrophobicContact CE-CG 4.47Å; M123-Q126 VanDerWaalsContact CE-NE2 3.3Å; M123-Q126 VanDerWaalsContact CE-OE1 3.29Å; M123-Q126 PolarHBondContact O-N 3.27Å; M123-Y127 WeakPolarHBondContact O-CB 3.26Å; M123-Y127 PolarHBondContact O-N 3.48Å
124E95.2Very high88.8Confident93 Ų9395.6 Ų95.644%0.43548%0.484SS..Hα-helixtrans-60.4-39.9174.5-77.6-177.7-175.300112.2V120 D122 R128V120-E124 HydrophobicContact CG1-CG 4.38Å; V120-E124 WeakPolarHBondContact O-CB 3.5Å; V120-E124 WeakPolarHBondContact O-CG 3.43Å; V120-E124 PolarHBondContact O-N 2.94Å; D122-E124 PolarHBondContact O-N 3.21Å; E124-R128 WeakPolarHBondContact O-CG 3.43Å; E124-R128 PolarHBondContact O-N 3.2Å; E124-R128 IonicContact OE2-NH1 3.52Å
125K96.1Very high87.8Confident116 Ų11696.9 Ų96.950%0.50449%0.491SS..Hα-helixtrans-64.8-49.5176.2-177.4-172.1171.5-167.80110.7T121 D122 M123 Y127 R128 D129T121-K125 PolarHBondContact O-N 2.98Å; T121-K125 VanDerWaalsContact O-N 3.13Å; D122-K125 WeakPolarHBondContact O-CB 3.24Å; D122-K125 PolarHBondContact O-N 3.02Å; D122-K125 VanDerWaalsContact O-N 3.11Å; M123-K125 VanDerWaalsContact C-N 3.29Å; M123-K125 PolarHBondContact O-N 3.41Å; K125-Y127 VanDerWaalsContact C-N 3.25Å; K125-Y127 PolarHBondContact O-N 3.13Å; K125-R128 PolarHBondContact O-N 3.32Å; K125-R128 VanDerWaalsContact O-N 3.1Å; K125-D129 PolarHBondContact O-N 2.78Å
126Q94.7Very high86.4Confident100 Ų10095.9 Ų95.947%0.46750%0.501SS..Hα-helixtrans-57-41.4177.7-68-176.116.700111.7D122 M123 D129 A130D122-Q126 WeakPolarHBondContact O-CG 3.43Å; D122-Q126 PolarHBondContact O-N 2.84Å; D122-Q126 PolarHBondContact OD2-NE2 3.49Å; M123-Q126 VanDerWaalsContact CE-CD 3.43Å; M123-Q126 HydrophobicContact CE-CG 4.47Å; M123-Q126 VanDerWaalsContact CE-NE2 3.3Å; M123-Q126 VanDerWaalsContact CE-OE1 3.29Å; M123-Q126 PolarHBondContact O-N 3.27Å; Q126-D129 PolarHBondContact O-N 3.31Å; Q126-A130 WeakPolarHBondContact O-CB 3.41Å; Q126-A130 PolarHBondContact O-N 3.11Å
127Y93.7Very high84.8Confident152 Ų15299.9 Ų99.960%0.59652%0.518SS*.Hα-helixtrans-62.8-45.4175.6179-106.2000112.5M123 K125 D129 A130 L131M123-Y127 WeakPolarHBondContact O-CB 3.26Å; M123-Y127 PolarHBondContact O-N 3.48Å; K125-Y127 VanDerWaalsContact C-N 3.25Å; K125-Y127 PolarHBondContact O-N 3.13Å; Y127-D129 VanDerWaalsContact C-N 3.32Å; Y127-D129 PolarHBondContact O-N 3.21Å; Y127-A130 PolarHBondContact O-N 3.42Å; Y127-L131 HydrophobicContact CD1-CD1 3.99Å; Y127-L131 HydrophobicContact CE1-CD1 3.39Å; Y127-L131 HydrophobicContact CE1-CG 4.15Å; Y127-L131 HydrophobicContact CE2-CD1 4.38Å; Y127-L131 HydrophobicContact CE2-CD2 4.48Å; Y127-L131 HydrophobicContact CE2-CG 4.32Å; Y127-L131 WeakPolarHBondContact O-CG 3.4Å; Y127-L131 PolarHBondContact O-N 2.93Å
128R94.8Very high83.2Confident121 Ų121105.3 Ų105.346%0.45754%0.54SS..Hα-helixtrans-62.2-38.5176.4-76.3-173.5-69.1-107.4-2.7112.6E124 K125 Q132E124-R128 WeakPolarHBondContact O-CG 3.43Å; E124-R128 PolarHBondContact O-N 3.2Å; E124-R128 IonicContact OE2-NH1 3.52Å; K125-R128 PolarHBondContact O-N 3.32Å; K125-R128 VanDerWaalsContact O-N 3.1Å; R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.92Å; R128-Q132 PolarHBondContact O-NE2 2.89Å; R128-Q132 VanDerWaalsContact O-NE2 3.1Å
129D93.6Very high81.5Confident72 Ų72107 Ų10739%0.38555%0.545SS..Hα-helixtrans-70.5-40.8179.1-67.3-15.1000110.8K125 Q126 Y127 L131 Q132 L133K125-D129 PolarHBondContact O-N 2.78Å; Q126-D129 PolarHBondContact O-N 3.31Å; Y127-D129 VanDerWaalsContact C-N 3.32Å; Y127-D129 PolarHBondContact O-N 3.21Å; D129-L131 PolarHBondContact O-N 3.39Å; D129-Q132 PolarHBondContact O-N 2.94Å; D129-L133 WeakPolarHBondContact O-CG 3.4Å; D129-L133 PolarHBondContact O-N 3.1Å; D129-L133 VanDerWaalsContact O-N 3.16Å
130A92.5Very high79.8Confident54 Ų54114.3 Ų114.345%0.44657%0.567SS.*Hα-helixtrans-62.4-40.3175.300000112.7Q126 Y127 Q132 L133 H134Q126-A130 WeakPolarHBondContact O-CB 3.41Å; Q126-A130 PolarHBondContact O-N 3.11Å; Y127-A130 PolarHBondContact O-N 3.42Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.27Å; A130-L133 PolarHBondContact O-N 3.1Å; A130-H134 PolarHBondContact O-N 3.44Å
131L89Confident78.2Confident88 Ų88115.3 Ų115.346%0.46158%0.575SS.*Hα-helixtrans-63-35.2174.8-74.9178.9000112.8Y127 D129Y127-L131 HydrophobicContact CD1-CD1 3.99Å; Y127-L131 HydrophobicContact CE1-CD1 3.39Å; Y127-L131 HydrophobicContact CE1-CG 4.15Å; Y127-L131 HydrophobicContact CE2-CD1 4.38Å; Y127-L131 HydrophobicContact CE2-CD2 4.48Å; Y127-L131 HydrophobicContact CE2-CG 4.32Å; Y127-L131 WeakPolarHBondContact O-CG 3.4Å; Y127-L131 PolarHBondContact O-N 2.93Å; D129-L131 PolarHBondContact O-N 3.39Å
132Q84.1Confident76.5Confident137 Ų137121.1 Ų121.164%0.6459%0.594SS**Hα-helixtrans-72.1-30177.9-73.8171.870.600112.7R128 D129 A130R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.92Å; R128-Q132 PolarHBondContact O-NE2 2.89Å; R128-Q132 VanDerWaalsContact O-NE2 3.1Å; D129-Q132 PolarHBondContact O-N 2.94Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.27Å
133L76.3Confident74.8Confident136 Ų136123.5 Ų123.571%0.71261%0.611SS**Hα-helixtrans-82.2-19.6-178.7-70.5166.9000113.8D129 A130D129-L133 WeakPolarHBondContact O-CG 3.4Å; D129-L133 PolarHBondContact O-N 3.1Å; D129-L133 VanDerWaalsContact O-N 3.16Å; A130-L133 PolarHBondContact O-N 3.1Å
134H62.8Low73Confident119 Ų119126 Ų12655%0.55162%0.624SS**  trans-125.767.7176-73-79.2000114.3A130 S136A130-H134 PolarHBondContact O-N 3.44Å; H134-S136 PolarHBondContact O-N 3.04Å
135P58Low71.3Confident104 Ų104125.7 Ų125.768%0.67563%0.63SS**THydrogen-bonded Turntrans-66.3-18.9174.9-15.929.4000113.8
136S54Low69.4Low96 Ų96126.1 Ų126.167%0.67164%0.637SS**THydrogen-bonded Turntrans-102.3-1.5-16147.70000116.2H134H134-S136 PolarHBondContact O-N 3.04Å
137Q53.9Low67.2Low153 Ų153129.1 Ų129.172%0.71565%0.649SS**SBendtrans-92.7-9.2-179.7-69-152.6-2.700115.4H139Q137-H139 VanDerWaalsContact C-N 3.33Å
138L51.7Low64.9Low152 Ų152129.4 Ų129.480%0.79666%0.656SS**THydrogen-bonded Turntrans-85.1-3.9177.8-66.7-178.7000114.4
139H54.3Low62.4Low164 Ų164129.8 Ų129.876%0.75967%0.671SS**THydrogen-bonded Turntrans-131.461.2175-67.4-57.4000111.3Q137 P141Q137-H139 VanDerWaalsContact C-N 3.33Å; H139-P141 WeakPolarHBondContact O-CD 3.44Å
140R54.4Low60Low224 Ų224132.3 Ų132.385%0.84570%0.695SS**  trans-85.4100.7142.9-84.6-173.9-178.9-179.21.8106.3F142R140-F142 PolarHBondContact O-N 3.3Å; R140-F142 VanDerWaalsContact O-N 3.17Å
141P58.6Low57.3Low101 Ų101132.3 Ų132.366%0.65670%0.7SS**  trans-51.9130.2162.922.7-30.3000106.4H139 T143H139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-T143 VanDerWaalsContact C-N 3.26Å; P141-T143 PolarHBondContact O-N 2.82Å; P141-T143 PolarHBondContact O-OG1 3.37Å
142F59.4Low55.2Low204 Ų204133.8 Ų133.890%0.89572%0.715SS**  trans-58.996.9172.7-124.7-89.4000106.7R140 M144R140-F142 PolarHBondContact O-N 3.3Å; R140-F142 VanDerWaalsContact O-N 3.17Å; F142-M144 PolarHBondContact O-N 2.96Å
143T59.4Low52.8Low122 Ų122134.2 Ų134.275%0.74872%0.722SS**  trans-78.5105.4170.4-51.90000105.3P141P141-T143 VanDerWaalsContact C-N 3.26Å; P141-T143 PolarHBondContact O-N 2.82Å; P141-T143 PolarHBondContact O-OG1 3.37Å
144M57.4Low50.7Low139 Ų139132.7 Ų132.769%0.68572%0.723SS**  trans-49.8127.1171-81.6-73-74.500108.5F142 N146F142-M144 PolarHBondContact O-N 2.96Å; M144-N146 PolarHBondContact O-N 3.16Å
145P58.7Low49.2Very low86 Ų86133.5 Ų133.556%0.55874%0.736SS**  trans-59.5119.6172.322-28.7000107.5F147P145-F147 HydrophobicContact CG-CE2 4.35Å; P145-F147 HydrophobicContact CG-CZ 4.49Å; P145-F147 WeakPolarHBondContact O-CD2 3.16Å; P145-F147 PolarHBondContact O-N 3.3Å
146N56.6Low48.1Very low124 Ų124138 Ų13866%0.66375%0.748SS**  trans-66.7105-179.5-162.627.1000107.5M144 H148M144-N146 PolarHBondContact O-N 3.16Å; N146-H148 VanDerWaalsContact C-N 3.28Å; N146-H148 PolarHBondContact O-CD2 3.44Å; N146-H148 VanDerWaalsContact O-CD2 3.28Å; N146-H148 PolarHBondContact O-N 3.46Å
147F48.2Very low47Very low163 Ų163137.8 Ų137.872%0.71575%0.752SS**  trans-71.794169.9-68.1-80.8000106.9P145 T149P145-F147 HydrophobicContact CG-CE2 4.35Å; P145-F147 HydrophobicContact CG-CZ 4.49Å; P145-F147 WeakPolarHBondContact O-CD2 3.16Å; P145-F147 PolarHBondContact O-N 3.3Å; F147-T149 PolarHBondContact O-N 3.2Å
148H45Very low46.2Very low159 Ų159134.4 Ų134.474%0.73676%0.758SS**  trans-59.293169.8-62.3-82.4000108.1N146 S150N146-H148 VanDerWaalsContact C-N 3.28Å; N146-H148 PolarHBondContact O-CD2 3.44Å; N146-H148 VanDerWaalsContact O-CD2 3.28Å; N146-H148 PolarHBondContact O-N 3.46Å; H148-S150 PolarHBondContact O-N 3.29Å; H148-S150 VanDerWaalsContact O-N 3.13Å
149T42.6Very low45.3Very low128 Ų128133.2 Ų133.279%0.78576%0.757SS**  trans-73.9100.6164.6-54.10000105F147 G151F147-T149 PolarHBondContact O-N 3.2Å; T149-G151 VanDerWaalsContact C-N 3.28Å; T149-G151 PolarHBondContact O-N 2.91Å
150S42.3Very low44.4Very low125 Ų125130 Ų13087%0.87475%0.752SS**  trans-65.892.1168.454.40000108.5H148H148-S150 PolarHBondContact O-N 3.29Å; H148-S150 VanDerWaalsContact O-N 3.13Å
151G37.2Very low43.4Very low55 Ų55127.4 Ų127.457%0.56776%0.755SS**  trans-128.8132.6163.600000108T149T149-G151 VanDerWaalsContact C-N 3.28Å; T149-G151 PolarHBondContact O-N 2.91Å
152P43.5Very low42.4Very low119 Ų119131 Ų13177%0.77376%0.763SS**  trans-78.5147.2-169.631.8-32.5000112.3
153N33.7Very low41.2Very low145 Ų145129.2 Ų129.278%0.77576%0.76SS**  trans85.2109.2157.3-63.8-11000120.1
154S32.1Very low39.9Very low105 Ų105131.7 Ų131.773%0.73477%0.767SS**  65.1132.2129.3-49.40000117.6
155V33.3Very low38.9Very low136 Ų136132.5 Ų132.582%0.82477%0.77SS**  cis-161150.845.1-83.70000109.4
156E34.2Very low37.5Very low198 Ų198134.1 Ų134.193%0.92578%0.78SS**  trans-59.8134.3166.1-67.9-178.413900111.4
157A31.6Very low36.2Very low92 Ų92134 Ų13476%0.7679%0.789SS**  trans-154.7107.1153.200000108.9
158G36.3Very low35.5Very low81 Ų81133.2 Ų133.284%0.83579%0.792SS**  trans-69.6136.3168.100000110.5
159V33.1Very low34.8Very low128 Ų128133.2 Ų133.278%0.77680%0.796SS**  trans-142110.4163.8-171.40000110.1
160S33.9Very low34.2Very low96 Ų96132.4 Ų132.467%0.67180%0.796SS**  trans5.1122.6144.4-157.40000118.2Q162S160-Q162 PolarHBondContact O-N 3.41Å
161N34.2Very low33.9Very low169 Ų169131.3 Ų131.390%0.90479%0.794SS**  trans-69.9109.7163.5-81.7-26.7000110
162Q37.1Very low33.5Very low177 Ų177133.1 Ų133.183%0.82780%0.804SS**  trans-106.5126159-81.7-171.23500110.7S160S160-Q162 PolarHBondContact O-N 3.41Å
163M34.9Very low33Very low167 Ų167139 Ų13982%0.82381%0.811SS**  trans-61.4126.9174.3-172.9157.989.500111
164L32.2Very low33.2Very low173 Ų173136.6 Ų136.691%0.90681%0.811SS**  trans-132.5120.3162.4-76.3172.6000110.4
165Q35.8Very low33.3Very low156 Ų156140.8 Ų140.873%0.72982%0.816SS**PPolyproline II helixtrans-71.3160.2179-70.4-161.2-16.900112.6
166P30.8Very low33.7Very low120 Ų120139.7 Ų139.778%0.77982%0.815SS**PPolyproline II helixtrans-78.5134.8179.331.6-32.1000111.4
167S29.2Very low33.8Very low121 Ų121139.6 Ų139.685%0.84681%0.811SS**PPolyproline II helixtrans-101.2128.9166.6-19.90000109.8
168N31.8Very low34.1Very low148 Ų148145.2 Ų145.279%0.79182%0.819SS**PPolyproline II helixtrans-86166.3174.4-80.7-37.9000112.2
169I32.3Very low34.3Very low159 Ų159146.5 Ų146.582%0.81581%0.814SS**  trans74.5138.3158.7-10171.3000115
170S29.8Very low34.6Very low111 Ų111146.9 Ų146.978%0.77682%0.82SS**  cis-162.6166.823.6-45.90000113.2
171A36.1Very low35Very low102 Ų102153.1 Ų153.184%0.84383%0.828SS**  trans-61149179.700000116.9
172A29Very low35.4Very low93 Ų93152.6 Ų152.677%0.76983%0.825SS**  trans-161.5129.3142.200000114.1
173R32.4Very low35.6Very low242 Ų242155.7 Ų155.791%0.91383%0.829SS**  trans73124.4145.9-71.1-176.5175.1168.40.1122.1
174A37.9Very low35.8Very low94 Ų94153.8 Ų153.878%0.77783%0.829SS**  trans-67.7138.4173.800000113.1
175F34.2Very low36.3Very low193 Ų193154.8 Ų154.885%0.84683%0.826SS**  trans-133.9120.7152.2-86-80.3000109.4K177F175-K177 PolarHBondContact O-N 3.21Å
176S41.7Very low36.4Very low114 Ų114156.9 Ų156.980%0.79783%0.833SS**  trans-68.3110.4174.648.90000111.3
177K35.3Very low36.7Very low196 Ų196157.2 Ų157.285%0.85283%0.828SS**  trans-139.8127.9160.5-67.6-171.6180174.40110.5F175F175-K177 PolarHBondContact O-N 3.21Å
178K38.5Very low37.3Very low210 Ų210156.2 Ų156.291%0.91382%0.821SS**PPolyproline II helixtrans-61.8135.9-164-64.1158.4178.4176.50112.9
179S41.3Very low37.7Very low107 Ų107156.5 Ų156.575%0.74882%0.822SS**PPolyproline II helixtrans-65.8135.1167.1-58.50000111.2R181S179-R181 PolarHBondContact O-N 3.35Å
180P38.6Very low38.3Very low137 Ų137156 Ų15689%0.8982%0.821SS**PPolyproline II helixtrans-73.3119.9168.2-11.327.2000109.6
181R42.8Very low38.6Very low226 Ų226155.5 Ų155.585%0.85382%0.815SS**PPolyproline II helixtrans-95.9140.1176-104.6-168.9-172.5-164.23.5110.7S179S179-R181 PolarHBondContact O-N 3.35Å
182L41.5Very low38.8Very low159 Ų159156.3 Ų156.383%0.83281%0.811SS**  trans84.7112.2151.9-58165.3000118.8
183R42.7Very low39.1Very low242 Ų242157.9 Ų157.991%0.91381%0.811SS**  trans-79.9143.6154.3-68.7-174.3180172.40.4109.4K185R183-K185 PolarHBondContact O-N 3.5Å
184P39.1Very low39.6Very low126 Ų126151.7 Ų151.782%0.81881%0.805SS**  trans-67.1131.1173.3-16.129.3000111.6K186P184-K186 PolarHBondContact O-N 3.42Å
185K42.3Very low39.6Very low195 Ų195152.5 Ų152.585%0.84880%0.801SS**  trans-68.4108172.1-172.9170.1178.7173.40108.9R183R183-K185 PolarHBondContact O-N 3.5Å
186K36.8Very low39.9Very low199 Ų199149 Ų14987%0.86580%0.797SS**  trans-99.3118.5168.3-169168.7177.5176.10108.2P184 S188P184-K186 PolarHBondContact O-N 3.42Å; K186-S188 PolarHBondContact O-N 2.97Å
187N37.8Very low39.8Very low127 Ų127148.3 Ų148.368%0.67980%0.799SS**  trans-55.5120.5177.6-71.2-3.7000110.5N189N187-N189 PolarHBondContact O-N 3.2Å
188S41.7Very low39.9Very low100 Ų100146.3 Ų146.370%0.69980%0.796SS**  trans-85.2102.6164.454.80000108.3K186 L190K186-S188 PolarHBondContact O-N 2.97Å; S188-L190 PolarHBondContact O-N 2.95Å
189N40.5Very low40Very low154 Ų154143.5 Ų143.582%0.82479%0.791SS**  trans-7499.2162-67.9-43.1000107.4N187N187-N189 PolarHBondContact O-N 3.2Å
190L45.4Very low40.2Very low148 Ų148146.9 Ų146.978%0.77580%0.797SS**  trans-102.8133.8163.7-71.1172.5000107.9S188S188-L190 PolarHBondContact O-N 2.95Å
191P36.3Very low40.4Very low101 Ų101147.8 Ų147.866%0.65679%0.793SS**  trans-69.3152.5175.630.5-32.5000110.3V193P191-V193 PolarHBondContact O-N 3.44Å
192P38.8Very low40Very low119 Ų119144.9 Ų144.977%0.77379%0.789SS**  trans-70.9115.2177.929.2-30.5000109S194P192-S194 VanDerWaalsContact C-N 3.29Å; P192-S194 PolarHBondContact O-N 2.98Å
193V36.2Very low39.9Very low126 Ų126146.1 Ų146.176%0.76478%0.784SS**  trans-77.187.8172.6178.20000107.7P191 T195P191-V193 PolarHBondContact O-N 3.44Å; V193-T195 VanDerWaalsContact CG1-OG1 3.26Å; V193-T195 WeakPolarHBondContact CG1-OG1 3.47Å
194S42.9Very low39.9Very low113 Ų113140.9 Ų140.979%0.7979%0.785SS**  trans-88.593.7158.3-58.90000107.7P192P192-S194 VanDerWaalsContact C-N 3.29Å; P192-S194 PolarHBondContact O-N 2.98Å
195T36.4Very low40Very low111 Ų111138 Ų13868%0.68178%0.778SS**  trans-136.4134.3161.822.60000109.1V193V193-T195 VanDerWaalsContact CG1-OG1 3.26Å; V193-T195 WeakPolarHBondContact CG1-OG1 3.47Å
196P40.5Very low39.6Very low118 Ų118134.9 Ų134.977%0.76677%0.77SS**PPolyproline II helixtrans-71.1143.6-176.128.3-32.3000111L198P196-L198 PolarHBondContact O-N 3.4Å
197A40.6Very low39.8Very low101 Ų101130.7 Ų130.784%0.83577%0.766SS**PPolyproline II helixtrans-57119.6174.100000109.9
198L38.2Very low40.2Very low153 Ų153130.7 Ų130.780%0.80177%0.765SS**PPolyproline II helixtrans-65.3139.4169.8-73.3-173.6000110.1P196P196-L198 PolarHBondContact O-N 3.4Å
199L40.3Very low40.4Very low152 Ų152131.6 Ų131.680%0.79676%0.758SS**PPolyproline II helixtrans-58.5141.7-177.1-76.3171.2000112.5L201L199-L201 PolarHBondContact O-N 3.32Å
200M45.3Very low41.3Very low177 Ų177128.7 Ų128.787%0.87275%0.748SS**THydrogen-bonded Turntrans-68.850.5179.2-166.3-175.9164.800112.9
201L42.7Very low41.6Very low157 Ų157128.6 Ų128.682%0.82274%0.744SS**THydrogen-bonded Turntrans-131.12.4178.3-102.6156.8000114.3L199L199-L201 PolarHBondContact O-N 3.32Å
202E33.7Very low42.4Very low164 Ų164130.8 Ų130.877%0.76675%0.745SS**SBendtrans-111.311174.1-80.8-174.6155.100114.3S204E202-S204 PolarHBondContact O-N 3.31Å
203Y39Very low43.9Very low185 Ų185129.4 Ų129.473%0.72573%0.731SS**THydrogen-bonded Turntrans-9118.1-177.8-81.6-78.5000115.5
204S42.8Very low45.2Very low133 Ų133130 Ų13093%0.9372%0.723SS**THydrogen-bonded Turntrans-93.97.5174.8-60.70000114.1E202E202-S204 PolarHBondContact O-N 3.31Å
205G40.9Very low46.7Very low66 Ų66127.9 Ų127.968%0.6871%0.709SS**SBendtrans-114.2-9.4-175.700000116.7
206L35.1Very low48.7Very low129 Ų129129.2 Ų129.268%0.67571%0.706SS**  trans-111.984.9-175.1-61.2-179000110.3L208L206-L208 PolarHBondContact O-N 3.39Å
207S40.3Very low50.6Low111 Ų111128.4 Ų128.478%0.77669%0.693SS**  trans-59.194.7154.9-1740000107.3E209S207-E209 PolarHBondContact O-N 3.45Å
208L45.8Very low52.4Low127 Ų127129.7 Ų129.767%0.66568%0.681SS**  trans-65.1103.2169.5-102105.6000107.7L206 P210L206-L208 PolarHBondContact O-N 3.39Å; L208-P210 VanDerWaalsContact O-CD 3.26Å; L208-P210 WeakPolarHBondContact O-CD 3.26Å
209E47.1Very low54.6Low118 Ų118127.9 Ų127.955%0.55167%0.669SS**  trans-83.8104.4156.5-87.3-66136.800107.6S207 Q211S207-E209 PolarHBondContact O-N 3.45Å; E209-Q211 PolarHBondContact O-N 3.26Å; E209-Q211 VanDerWaalsContact O-N 3.16Å
210P58.2Low56.4Low93 Ų93124.7 Ų124.760%0.60465%0.652SS**Hα-helixtrans-70.8-14-169.6-20.935.5000114.4L208L208-P210 VanDerWaalsContact O-CD 3.26Å; L208-P210 WeakPolarHBondContact O-CD 3.26Å
211Q51.4Low57.9Low147 Ų147123.4 Ų123.469%0.68764%0.642SS**Hα-helixtrans-87.9-28.9-169.3-166.4164.3-21.700113.4E209 S215E209-Q211 PolarHBondContact O-N 3.26Å; E209-Q211 VanDerWaalsContact O-N 3.16Å; Q211-S215 PolarHBondContact O-N 3.45Å; Q211-S215 PolarHBondContact O-OG 2.94Å
212E53.6Low59.9Low147 Ų147116.6 Ų116.669%0.68761%0.61SS**Hα-helixtrans-74.9-36.3177.7-60.8-168.8157.300111.3S215 K216E212-S215 PolarHBondContact O-N 2.86Å; E212-K216 WeakPolarHBondContact O-CB 3.45Å; E212-K216 PolarHBondContact O-N 3.25Å; E212-K216 VanDerWaalsContact O-N 3.1Å
213D69.8Low62.5Low90 Ų90114.1 Ų114.148%0.48160%0.597SS.*Hα-helixtrans-67.4-41.4179.1-87.2-14.3000113M217D213-M217 WeakPolarHBondContact O-CB 3.31Å; D213-M217 PolarHBondContact O-N 3.35Å
214F65.2Low64.4Low137 Ų137112 Ų11260%0.60159%0.594SS**Hα-helixtrans-68.2-40.2177.4-173.9-95.6000111.9K216 M217 H218F214-K216 VanDerWaalsContact C-N 3.35Å; F214-K216 PolarHBondContact O-N 2.97Å; F214-M217 PolarHBondContact O-N 3.35Å; F214-H218 HydrophobicContact CE1-CB 4.43Å; F214-H218 VanDerWaalsContact O-CB 3.31Å; F214-H218 WeakPolarHBondContact O-CB 3.38Å; F214-H218 PolarHBondContact O-N 2.99Å
215S73.8Confident66.2Low70 Ų70109.9 Ų109.949%0.4958%0.575SS.*Hα-helixtrans-62.8-44.1179.7-59.60000111.2Q211 E212 H218 E219Q211-S215 PolarHBondContact O-N 3.45Å; Q211-S215 PolarHBondContact O-OG 2.94Å; E212-S215 PolarHBondContact O-N 2.86Å; S215-H218 PolarHBondContact O-N 3.35Å; S215-E219 WeakPolarHBondContact O-CB 3.49Å; S215-E219 PolarHBondContact O-N 2.83Å
216K78.7Confident68.3Low139 Ų139113.3 Ų113.360%0.60457%0.571SS**Hα-helixtrans-64.7-44.6177-169.6178.2178.8-173.30112.1E212 F214 E219 D220E212-K216 WeakPolarHBondContact O-CB 3.45Å; E212-K216 PolarHBondContact O-N 3.25Å; E212-K216 VanDerWaalsContact O-N 3.1Å; F214-K216 VanDerWaalsContact C-N 3.35Å; F214-K216 PolarHBondContact O-N 2.97Å; K216-E219 PolarHBondContact O-N 3.38Å; K216-D220 PolarHBondContact O-N 2.9Å
217M79.3Confident70.7Confident101 Ų101114 Ų11450%0.49857%0.568SS.*Hα-helixtrans-61-45.3173.6-82.7-165.7-7700112D213 F214 E219 D220 F221D213-M217 WeakPolarHBondContact O-CB 3.31Å; D213-M217 PolarHBondContact O-N 3.35Å; F214-M217 PolarHBondContact O-N 3.35Å; M217-E219 VanDerWaalsContact C-N 3.26Å; M217-E219 PolarHBondContact O-N 3.02Å; M217-D220 PolarHBondContact O-N 3.49Å; M217-F221 HydrophobicContact CB-CD2 4.28Å; M217-F221 HydrophobicContact CB-CE2 4.41Å; M217-F221 HydrophobicContact CG-CE2 4.31Å; M217-F221 WeakPolarHBondContact O-CD2 3.25Å; M217-F221 PolarHBondContact O-N 3.1Å
218H78.1Confident72.6Confident128 Ų128113.3 Ų113.359%0.59356%0.556SS**Hα-helixtrans-62.3-36.8-179.6-166.875.3000111.9F214 S215 G222F214-H218 HydrophobicContact CE1-CB 4.43Å; F214-H218 VanDerWaalsContact O-CB 3.31Å; F214-H218 WeakPolarHBondContact O-CB 3.38Å; F214-H218 PolarHBondContact O-N 2.99Å; S215-H218 PolarHBondContact O-N 3.35Å; H218-G222 VanDerWaalsContact O-CA 3.25Å; H218-G222 WeakPolarHBondContact O-CA 3.31Å; H218-G222 PolarHBondContact O-N 3.45Å
219E84.6Confident74.3Confident115 Ų115112.4 Ų112.454%0.53755%0.55SS.*Hα-helixtrans-70-43.6175.2-173.5148.1-13900112.4S215 K216 M217 G222 K223S215-E219 WeakPolarHBondContact O-CB 3.49Å; S215-E219 PolarHBondContact O-N 2.83Å; K216-E219 PolarHBondContact O-N 3.38Å; M217-E219 VanDerWaalsContact C-N 3.26Å; M217-E219 PolarHBondContact O-N 3.02Å; E219-G222 PolarHBondContact O-N 3.41Å; E219-K223 VanDerWaalsContact O-CG 3.27Å; E219-K223 WeakPolarHBondContact O-CG 3.44Å; E219-K223 PolarHBondContact O-N 2.77Å
220D78.3Confident76.1Confident85 Ų85108.5 Ų108.546%0.45554%0.538SS..Hα-helixtrans-66.1-46-179.6-75.9-22.2000112.6K216 M217 K223K216-D220 PolarHBondContact O-N 2.9Å; M217-D220 PolarHBondContact O-N 3.49Å; D220-K223 IonicContact OD1-NZ 2.83Å; D220-K223 PolarHBondContact OD1-NZ 3.16Å
221F77.3Confident77.2Confident149 Ų149106.6 Ų106.665%0.65452%0.523SS*.Hα-helixtrans-78.1-25.7176.8-66.8-70.2000112.8M217 K223M217-F221 HydrophobicContact CB-CD2 4.28Å; M217-F221 HydrophobicContact CB-CE2 4.41Å; M217-F221 HydrophobicContact CG-CE2 4.31Å; M217-F221 WeakPolarHBondContact O-CD2 3.25Å; M217-F221 PolarHBondContact O-N 3.1Å; F221-K223 VanDerWaalsContact C-N 3.32Å; F221-K223 PolarHBondContact O-N 3.22Å
222G85.7Confident78.4Confident15 Ų15107.8 Ų107.816%0.15552%0.521CS..Hα-helixtrans-72-21.9178.600000114.1H218 E219 E224 V225 K226H218-G222 VanDerWaalsContact O-CA 3.25Å; H218-G222 WeakPolarHBondContact O-CA 3.31Å; H218-G222 PolarHBondContact O-N 3.45Å; E219-G222 PolarHBondContact O-N 3.41Å; G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.29Å; G222-V225 PolarHBondContact O-N 3.49Å; G222-K226 WeakPolarHBondContact O-CG 3.5Å; G222-K226 PolarHBondContact O-N 3.43Å
223K87.9Confident79.5Confident111 Ų111104.6 Ų104.648%0.48352%0.516SS..Hα-helixtrans-58.6-40.2176.6-76.2158.2-168.1169.10112.3E219 D220 F221 K226 K227E219-K223 VanDerWaalsContact O-CG 3.27Å; E219-K223 WeakPolarHBondContact O-CG 3.44Å; E219-K223 PolarHBondContact O-N 2.77Å; D220-K223 IonicContact OD1-NZ 2.83Å; D220-K223 PolarHBondContact OD1-NZ 3.16Å; F221-K223 VanDerWaalsContact C-N 3.32Å; F221-K223 PolarHBondContact O-N 3.22Å; K223-K226 PolarHBondContact O-N 3.48Å; K223-K227 WeakPolarHBondContact O-CB 3.17Å; K223-K227 PolarHBondContact O-N 3.27Å
224E78.8Confident79.7Confident141 Ų141108.3 Ų108.366%0.65952%0.523SS*.Hα-helixtrans-66.6-42.8-180-170174-176.500111.4G222 K227 L228G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.29Å; E224-K227 PolarHBondContact O-N 3.17Å; E224-L228 PolarHBondContact O-N 3.15Å
225V80.4Confident80.1Confident89 Ų89111.9 Ų111.954%0.53953%0.532SS..Hα-helixtrans-62.5-46.6175.5177.50000111.1G222 K227 L228 I229G222-V225 PolarHBondContact O-N 3.49Å; V225-K227 VanDerWaalsContact C-N 3.31Å; V225-K227 PolarHBondContact O-N 3.06Å; V225-L228 WeakPolarHBondContact O-CB 3.27Å; V225-L228 PolarHBondContact O-N 3.1Å; V225-I229 HydrophobicContact CG1-CD1 3.94Å; V225-I229 VanDerWaalsContact O-CG1 3.31Å; V225-I229 WeakPolarHBondContact O-CG1 3.48Å; V225-I229 PolarHBondContact O-N 3.42Å
226K84.3Confident79.6Confident138 Ų138117.9 Ų117.960%0.654%0.544SS*.Hα-helixtrans-60-40.9176.9-72.5174.9-177.9175.60111.8G222 K223 I229 A230G222-K226 WeakPolarHBondContact O-CG 3.5Å; G222-K226 PolarHBondContact O-N 3.43Å; K223-K226 PolarHBondContact O-N 3.48Å; K226-I229 PolarHBondContact O-N 3.36Å; K226-A230 PolarHBondContact O-N 3.49Å
227K85.6Confident78.6Confident142 Ų142114.8 Ų114.862%0.61755%0.551SS**Hα-helixtrans-64.7-42.2176.3-170.7179.3178.7-177.50111.7K223 E224 V225 I229 A230 D231K223-K227 WeakPolarHBondContact O-CB 3.17Å; K223-K227 PolarHBondContact O-N 3.27Å; E224-K227 PolarHBondContact O-N 3.17Å; V225-K227 VanDerWaalsContact C-N 3.31Å; V225-K227 PolarHBondContact O-N 3.06Å; K227-I229 PolarHBondContact O-N 3.06Å; K227-A230 PolarHBondContact O-N 2.95Å; K227-D231 WeakPolarHBondContact O-CB 3.42Å; K227-D231 PolarHBondContact O-N 3.38Å
228L81.3Confident77.2Confident97 Ų97112.7 Ų112.751%0.50856%0.556SS.*Hα-helixtrans-62.5-42.4176.6-123.4107.2000112.1E224 V225 D231 W232E224-L228 PolarHBondContact O-N 3.15Å; V225-L228 WeakPolarHBondContact O-CB 3.27Å; V225-L228 PolarHBondContact O-N 3.1Å; L228-D231 PolarHBondContact O-N 2.94Å; L228-W232 WeakPolarHBondContact O-CB 3.27Å; L228-W232 PolarHBondContact O-N 2.69Å
229I80.6Confident75.6Confident108 Ų108114.5 Ų114.555%0.55457%0.57SS**Hα-helixtrans-62-45.3176.1-68.4167000110.3V225 K226 K227 D231 W232 S233V225-I229 HydrophobicContact CG1-CD1 3.94Å; V225-I229 VanDerWaalsContact O-CG1 3.31Å; V225-I229 WeakPolarHBondContact O-CG1 3.48Å; V225-I229 PolarHBondContact O-N 3.42Å; K226-I229 PolarHBondContact O-N 3.36Å; K227-I229 PolarHBondContact O-N 3.06Å; I229-D231 VanDerWaalsContact C-N 3.35Å; I229-D231 PolarHBondContact O-N 3.32Å; I229-W232 PolarHBondContact O-N 2.89Å; I229-S233 PolarHBondContact O-N 3.34Å
230A84.3Confident73.4Confident36 Ų36117.6 Ų117.630%0.29859%0.585SS.*Hα-helixtrans-63-40.8177.100000112.3K226 K227 S233 R234K226-A230 PolarHBondContact O-N 3.49Å; K227-A230 PolarHBondContact O-N 2.95Å; A230-S233 PolarHBondContact O-N 3.48Å; A230-R234 WeakPolarHBondContact O-CG 3.46Å; A230-R234 PolarHBondContact O-N 3.01Å
231D82.6Confident71.9Confident54 Ų54118.4 Ų118.429%0.28959%0.594SS.*Hα-helixtrans-67-37.7176.7-75.9-16.6000112.2K227 L228 I229 R234 R235K227-D231 WeakPolarHBondContact O-CB 3.42Å; K227-D231 PolarHBondContact O-N 3.38Å; L228-D231 PolarHBondContact O-N 2.94Å; I229-D231 VanDerWaalsContact C-N 3.35Å; I229-D231 PolarHBondContact O-N 3.32Å; D231-R234 PolarHBondContact O-N 3.3Å; D231-R234 IonicContact OD1-CZ 2.69Å; D231-R234 IonicContact OD1-NE 2.72Å; D231-R234 IonicContact OD1-NH2 3.53Å; D231-R234 PolarHBondContact OD1-NH2 2.89Å; D231-R235 VanDerWaalsContact O-CG 3.27Å; D231-R235 WeakPolarHBondContact O-CG 3.38Å; D231-R235 PolarHBondContact O-N 2.97Å
232W75.8Confident69.9Low171 Ų171116.2 Ų116.265%0.64860%0.604SS**Hα-helixtrans-65.1-42.5172.7-91.341000112.4L228 I229 R235 R236L228-W232 WeakPolarHBondContact O-CB 3.27Å; L228-W232 PolarHBondContact O-N 2.69Å; I229-W232 PolarHBondContact O-N 2.89Å; W232-R235 PolarHBondContact O-N 2.72Å; W232-R236 PolarHBondContact O-N 3.06Å; W232-R236 VanDerWaalsContact O-N 3.1Å
233S76.4Confident67.7Low81 Ų81122.9 Ų122.957%0.56664%0.635SS**Hα-helixtrans-63.1-43.2175.2-1020000112I229 A230 R235 R236 G237I229-S233 PolarHBondContact O-N 3.34Å; A230-S233 PolarHBondContact O-N 3.48Å; S233-R235 VanDerWaalsContact C-N 3.32Å; S233-R235 PolarHBondContact O-N 2.99Å; S233-R236 PolarHBondContact O-N 2.77Å; S233-R236 VanDerWaalsContact O-N 3.15Å; S233-G237 PolarHBondContact O-N 3.28Å
234R75.1Confident65.8Low167 Ų167126 Ų12663%0.6365%0.651SS**Hα-helixtrans-62.6-37.5176.8-80.9-169.3-78-105.72.4112.9A230 D231 R236A230-R234 WeakPolarHBondContact O-CG 3.46Å; A230-R234 PolarHBondContact O-N 3.01Å; D231-R234 PolarHBondContact O-N 3.3Å; D231-R234 IonicContact OD1-CZ 2.69Å; D231-R234 IonicContact OD1-NE 2.72Å; D231-R234 IonicContact OD1-NH2 3.53Å; D231-R234 PolarHBondContact OD1-NH2 2.89Å; R234-R236 VanDerWaalsContact C-N 3.29Å
235R73.1Confident64.1Low213 Ų213127.5 Ų127.580%0.80466%0.658SS**Hα-helixtrans-71.5-24.4176.4-72.6172.1-174.5-116.42.1113.1D231 W232 S233D231-R235 VanDerWaalsContact O-CG 3.27Å; D231-R235 WeakPolarHBondContact O-CG 3.38Å; D231-R235 PolarHBondContact O-N 2.97Å; W232-R235 PolarHBondContact O-N 2.72Å; S233-R235 VanDerWaalsContact C-N 3.32Å; S233-R235 PolarHBondContact O-N 2.99Å
236R63.7Low62.6Low196 Ų196128.3 Ų128.374%0.7467%0.668SS**Hα-helixtrans-86.3-24.8178.2-162.5-178.6-71.2-171.9-2.6112.8W232 S233 R234 G238W232-R236 PolarHBondContact O-N 3.06Å; W232-R236 VanDerWaalsContact O-N 3.1Å; S233-R236 PolarHBondContact O-N 2.77Å; S233-R236 VanDerWaalsContact O-N 3.15Å; R234-R236 VanDerWaalsContact C-N 3.29Å; R236-G238 PolarHBondContact O-N 2.93Å
237G58.3Low60.8Low73 Ų73129.2 Ų129.275%0.75368%0.679SS**THydrogen-bonded Turntrans-84.121.6-179.700000115.6S233S233-G237 PolarHBondContact O-N 3.28Å
238G49.9Very low59Low58 Ų58129 Ų12960%0.59868%0.683SS**THydrogen-bonded Turntrans-105.4-1.9-173.700000116.5R236R236-G238 PolarHBondContact O-N 2.93Å
239D43Very low57.3Low166 Ų166131.6 Ų131.689%0.88870%0.697SS**  trans-139.7128173.4-75.8-42.1000109.4
240E38.4Very low55.4Low180 Ų180133.9 Ų133.984%0.84171%0.71SS**  trans-122.3162.2172.5-134.3-107.3147.500107.2
241P47.9Very low53.2Low102 Ų102139 Ų13966%0.66277%0.767SS**  -108.7151.2-62.234.9-23.2000110.5
242A35.5Very low51.7Low103 Ų103143.3 Ų143.385%0.85179%0.791SS**  trans-119.2110.9164.100000109E244A242-E244 PolarHBondContact O-N 3.07Å
243L38.3Very low50.4Low155 Ų155141.8 Ų141.881%0.81280%0.798SS**  trans-18.8119.8164.8-77.7147000114.7E245L243-E245 PolarHBondContact O-N 2.92Å
244E47.7Very low49Very low175 Ų175145.2 Ų145.282%0.81881%0.811SS**  27.492.6120.3-162.2171.3-144.900116A242A242-E244 PolarHBondContact O-N 3.07Å
245E42.9Very low47.5Very low173 Ų173143.9 Ų143.981%0.80882%0.822SS**  trans-134105.2140.6-75.6-166166.700109L243 L247L243-E245 PolarHBondContact O-N 2.92Å; E245-L247 PolarHBondContact O-N 3.13Å
246S49.6Very low45.9Very low107 Ų107139.6 Ų139.675%0.74882%0.823SS**  trans-57.2119.4164.5-177.20000109
247L47.7Very low44.7Very low156 Ų156135.9 Ų135.982%0.81783%0.828SS**  trans-120.658.5172.6-116.6143.8000109.9E245E245-L247 PolarHBondContact O-N 3.13Å
248I46.8Very low43.7Very low139 Ų139140.4 Ų140.471%0.71383%0.834SS**  trans-130.493.5150.2-47.5174.5000106.1L250I248-L250 HydrophobicContact CG2-CD1 4.25Å; I248-L250 HydrophobicContact CG2-CG 4.23Å
249D44.7Very low43.2Very low151 Ų151146.7 Ų146.781%0.80785%0.852SS**  trans-90107.8165.6-17216.9000107.6
250L41Very low43.2Very low155 Ų155145.1 Ų145.181%0.81285%0.849SS**  trans-133.2104.6163.3-69.7175.4000104.8I248I248-L250 HydrophobicContact CG2-CD1 4.25Å; I248-L250 HydrophobicContact CG2-CG 4.23Å
251G38.3Very low43.7Very low145 Ų145141.9 Ų141.9100%1.49585%0.849SS**  trans-59.10-173.500000116.2

Retrieved 251 of 251 residues in 158.7 ms (Link to these results)