A0A087X2S8_POEFO Loading...

Mesoderm specific transcript

AlphaFold DB , UniProt , Accession A0A087X2S8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1N57.8Low76.5Confident158 Ų158126.9 Ų126.985%0.84559%0.591SS**  0103.60-150.26.4000108R3 E4N1-R3 PolarHBondContact O-N 2.98Å; N1-E4 PolarHBondContact ND2-OE1 2.89Å
2M61.6Low77.4Confident181 Ų181125.1 Ų125.189%0.89259%0.587SS**THydrogen-bonded Turntrans-61.5-13.3-175.5-91.8-171.2-66.500114.1
3R63.3Low78.2Confident221 Ų221120.2 Ų120.283%0.83457%0.574SS**THydrogen-bonded Turntrans-77.9-14-174.2-74.6-176.8173.5-161-1.9115.3N1N1-R3 PolarHBondContact O-N 2.98Å
4E77.5Confident79Confident96 Ų96118.9 Ų118.945%0.44958%0.577SS.*SBendtrans-106.9-9.9-174.4-70.8163.5-142.100114N1 W6 I7 H8N1-E4 PolarHBondContact ND2-OE1 2.89Å; E4-W6 VanDerWaalsContact C-N 3.28Å; E4-W6 PolarHBondContact O-N 3.15Å; E4-I7 HydrophobicContact CG-CD1 4.4Å; E4-I7 WeakPolarHBondContact O-CB 3.4Å; E4-I7 PolarHBondContact O-N 3.2Å; E4-H8 PolarHBondContact O-CD2 3.43Å
5W80.6Confident79.7Confident158 Ų158115.4 Ų115.460%0.59857%0.567SS**Hα-helixtrans-59.7-36.2-177.5-179.277.3000113.2I7 H8 V9W5-I7 PolarHBondContact O-N 3.31Å; W5-H8 PolarHBondContact O-N 2.94Å; W5-V9 HydrophobicContact CD2-CG2 3.84Å; W5-V9 HydrophobicContact CE3-CG2 3.96Å; W5-V9 HydrophobicContact CH2-CG2 3.77Å; W5-V9 HydrophobicContact CZ2-CG2 3.63Å; W5-V9 HydrophobicContact CZ3-CG2 3.93Å; W5-V9 WeakPolarHBondContact O-CG2 3.24Å; W5-V9 PolarHBondContact O-N 3.16Å
6W81.6Confident80.2Confident182 Ų182114.9 Ų114.969%0.68957%0.567SS**Hα-helixtrans-63.4-27.5175.6-64.1104.5000113.7E4 G10E4-W6 VanDerWaalsContact C-N 3.28Å; E4-W6 PolarHBondContact O-N 3.15Å; W6-G10 PolarHBondContact O-N 3.47Å
7I83.1Confident80.8Confident103 Ų103112.7 Ų112.753%0.52856%0.561SS.*Hα-helixtrans-68.7-45175.5-59.6172.9000109.2E4 W5 G10 L11E4-I7 HydrophobicContact CG-CD1 4.4Å; E4-I7 WeakPolarHBondContact O-CB 3.4Å; E4-I7 PolarHBondContact O-N 3.2Å; W5-I7 PolarHBondContact O-N 3.31Å; I7-G10 PolarHBondContact O-N 3.05Å; I7-L11 HydrophobicContact CG2-CD1 3.98Å; I7-L11 HydrophobicContact CG2-CG 4.38Å; I7-L11 WeakPolarHBondContact O-CB 3.19Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.44Å; I7-L11 PolarHBondContact O-N 2.95Å
8H82.7Confident81.1Confident109 Ų109108.8 Ų108.851%0.50555%0.549SS..Hα-helixtrans-64.8-39.9176-62.1-65.5000112.4E4 W5 L11 I12E4-H8 PolarHBondContact O-CD2 3.43Å; W5-H8 PolarHBondContact O-N 2.94Å; H8-L11 PolarHBondContact O-N 3.27Å; H8-I12 WeakPolarHBondContact O-CG1 3.27Å; H8-I12 PolarHBondContact O-N 3.46Å; H8-I12 VanDerWaalsContact O-N 3.16Å
9V83.1Confident81.4Confident41 Ų41107.6 Ų107.625%0.24855%0.548CS..Hα-helixtrans-61.2-46.7173.2173.60000110.5W5 L11 I12 C13W5-V9 HydrophobicContact CD2-CG2 3.84Å; W5-V9 HydrophobicContact CE3-CG2 3.96Å; W5-V9 HydrophobicContact CH2-CG2 3.77Å; W5-V9 HydrophobicContact CZ2-CG2 3.63Å; W5-V9 HydrophobicContact CZ3-CG2 3.93Å; W5-V9 WeakPolarHBondContact O-CG2 3.24Å; W5-V9 PolarHBondContact O-N 3.16Å; V9-L11 PolarHBondContact O-N 3.5Å; V9-I12 PolarHBondContact O-N 3.02Å; V9-C13 VanDerWaalsContact O-CB 3.25Å; V9-C13 WeakPolarHBondContact O-CB 3.45Å; V9-C13 PolarHBondContact O-N 2.97Å; V9-C13 PolarHBondContact O-SG 3Å
10G82.2Confident81.7Confident29 Ų29111 Ų11130%0.29956%0.555SS.*Hα-helixtrans-60.6-44.6176.200000113W6 I7 I12 C13 V14W6-G10 PolarHBondContact O-N 3.47Å; I7-G10 PolarHBondContact O-N 3.05Å; G10-I12 PolarHBondContact O-N 3.4Å; G10-C13 PolarHBondContact O-N 2.83Å; G10-V14 VanDerWaalsContact O-CB 3.31Å; G10-V14 WeakPolarHBondContact O-CB 3.42Å; G10-V14 VanDerWaalsContact O-CG2 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.47Å; G10-V14 PolarHBondContact O-N 3.06Å
11L88.5Confident82Confident118 Ų118111.7 Ų111.762%0.61856%0.56SS**Hα-helixtrans-63.6-22.8178.7-75.3172000113.5I7 H8 V9 P15I7-L11 HydrophobicContact CG2-CD1 3.98Å; I7-L11 HydrophobicContact CG2-CG 4.38Å; I7-L11 WeakPolarHBondContact O-CB 3.19Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.44Å; I7-L11 PolarHBondContact O-N 2.95Å; H8-L11 PolarHBondContact O-N 3.27Å; V9-L11 PolarHBondContact O-N 3.5Å; L11-P15 WeakPolarHBondContact O-CD 2.97Å; L11-P15 WeakPolarHBondContact O-CG 3.43Å
12I86.7Confident83.5Confident105 Ų105111.6 Ų111.654%0.53855%0.554SS.*Hα-helixtrans-95.4-47.4176-65.5169.6000110.8H8 V9 G10 P15 L16H8-I12 WeakPolarHBondContact O-CG1 3.27Å; H8-I12 PolarHBondContact O-N 3.46Å; H8-I12 VanDerWaalsContact O-N 3.16Å; V9-I12 PolarHBondContact O-N 3.02Å; G10-I12 PolarHBondContact O-N 3.4Å; I12-P15 WeakPolarHBondContact O-CD 3.35Å; I12-L16 HydrophobicContact CG2-CD1 3.64Å; I12-L16 HydrophobicContact CG2-CG 4.34Å; I12-L16 WeakPolarHBondContact O-CB 3.19Å; I12-L16 VanDerWaalsContact O-CG 3.23Å; I12-L16 WeakPolarHBondContact O-CG 3.37Å; I12-L16 PolarHBondContact O-N 3.39Å; I12-L16 VanDerWaalsContact O-N 3.11Å
13C88.6Confident84.6Confident61 Ų61108 Ų10841%0.41254%0.537SS..Hα-helixtrans-67-38.9-176-70.20000112.7V9 G10 L16 V17V9-C13 VanDerWaalsContact O-CB 3.25Å; V9-C13 WeakPolarHBondContact O-CB 3.45Å; V9-C13 PolarHBondContact O-N 2.97Å; V9-C13 PolarHBondContact O-SG 3Å; G10-C13 PolarHBondContact O-N 2.83Å; C13-L16 PolarHBondContact O-N 3.16Å; C13-V17 WeakPolarHBondContact O-CB 3.43Å; C13-V17 VanDerWaalsContact O-CG2 3.29Å; C13-V17 WeakPolarHBondContact O-CG2 3.49Å; C13-V17 PolarHBondContact O-N 3.34Å
14V89.4Confident85.5Confident102 Ų102102.1 Ų102.162%0.61853%0.528SS*.Hα-helixtrans-64.5-48.9-178.7171.40000111.3G10 L16 V17 A18G10-V14 VanDerWaalsContact O-CB 3.31Å; G10-V14 WeakPolarHBondContact O-CB 3.42Å; G10-V14 VanDerWaalsContact O-CG2 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.47Å; G10-V14 PolarHBondContact O-N 3.06Å; V14-L16 PolarHBondContact O-N 3.34Å; V14-V17 PolarHBondContact O-N 3.48Å; V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.42Å; V14-A18 PolarHBondContact O-N 3Å
15P88.4Confident85.7Confident67 Ų67102.9 Ų102.944%0.43554%0.541SS..Hα-helixtrans-62.3-38.6172.4-26.136.3000113.4L11 I12 A18 V19L11-P15 WeakPolarHBondContact O-CD 2.97Å; L11-P15 WeakPolarHBondContact O-CG 3.43Å; I12-P15 WeakPolarHBondContact O-CD 3.35Å; P15-A18 PolarHBondContact O-N 3.3Å; P15-V19 WeakPolarHBondContact O-CB 3.49Å; P15-V19 WeakPolarHBondContact O-CG2 3.45Å; P15-V19 PolarHBondContact O-N 3.37Å
16L88.9Confident85.9Confident107 Ų107101.2 Ų101.256%0.5655%0.551SS**Hα-helixtrans-65.3-41.3177.8-73.7175.3000112.5I12 C13 V14 Y20I12-L16 HydrophobicContact CG2-CD1 3.64Å; I12-L16 HydrophobicContact CG2-CG 4.34Å; I12-L16 WeakPolarHBondContact O-CB 3.19Å; I12-L16 VanDerWaalsContact O-CG 3.23Å; I12-L16 WeakPolarHBondContact O-CG 3.37Å; I12-L16 PolarHBondContact O-N 3.39Å; I12-L16 VanDerWaalsContact O-N 3.11Å; C13-L16 PolarHBondContact O-N 3.16Å; V14-L16 PolarHBondContact O-N 3.34Å; L16-Y20 VanDerWaalsContact O-CB 3.23Å; L16-Y20 WeakPolarHBondContact O-CB 3.38Å; L16-Y20 PolarHBondContact O-N 3.36Å
17V89.2Confident86.2Confident78 Ų78101.2 Ų101.247%0.47356%0.559SS.*Hα-helixtrans-66.4-43.9173.6170.10000110C13 V14 V19 Y20 L21C13-V17 WeakPolarHBondContact O-CB 3.43Å; C13-V17 VanDerWaalsContact O-CG2 3.29Å; C13-V17 WeakPolarHBondContact O-CG2 3.49Å; C13-V17 PolarHBondContact O-N 3.34Å; V14-V17 PolarHBondContact O-N 3.48Å; V17-V19 PolarHBondContact O-N 3.23Å; V17-Y20 PolarHBondContact O-N 3.38Å; V17-L21 HydrophobicContact CG1-CD1 3.73Å; V17-L21 HydrophobicContact CG1-CG 4.15Å; V17-L21 WeakPolarHBondContact O-CB 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 2.91Å
18A86.6Confident86.7Confident42 Ų4299.6 Ų99.635%0.34755%0.551SS.*Hα-helixtrans-59.6-47.317600000111.1V14 P15 L21 H22V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.42Å; V14-A18 PolarHBondContact O-N 3Å; P15-A18 PolarHBondContact O-N 3.3Å; A18-L21 PolarHBondContact O-N 2.71Å; A18-H22 PolarHBondContact O-N 3.02Å; A18-H22 VanDerWaalsContact O-N 3.08Å; A18-H22 PolarHBondContact O-ND1 3Å
19V87.6Confident87.2Confident87 Ų8797.5 Ų97.553%0.52755%0.548SS..Hα-helixtrans-58.7-50.7174.4168.60000110P15 V17 L21 H22 I23P15-V19 WeakPolarHBondContact O-CB 3.49Å; P15-V19 WeakPolarHBondContact O-CG2 3.45Å; P15-V19 PolarHBondContact O-N 3.37Å; V17-V19 PolarHBondContact O-N 3.23Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.21Å; V19-H22 CarbonylContact O-C 3.45Å; V19-H22 PolarHBondContact O-N 3.13Å; V19-I23 HydrophobicContact CG1-CD1 4.22Å; V19-I23 HydrophobicContact CG1-CG1 4.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.36Å; V19-I23 PolarHBondContact O-N 2.95Å
20Y87.2Confident87.8Confident174 Ų17499.2 Ų99.268%0.68257%0.567SS**Hα-helixtrans-56.1-42.6178.5177.3-99.4000112.9L16 V17 H22 I23L16-Y20 VanDerWaalsContact O-CB 3.23Å; L16-Y20 WeakPolarHBondContact O-CB 3.38Å; L16-Y20 PolarHBondContact O-N 3.36Å; V17-Y20 PolarHBondContact O-N 3.38Å; Y20-H22 VanDerWaalsContact C-N 3.26Å; Y20-H22 PolarHBondContact O-N 2.97Å; Y20-I23 PolarHBondContact O-N 2.95Å
21L88.1Confident88.5Confident127 Ų127101 Ų10167%0.66557%0.572SS**Hα-helixtrans-70.1-20.7177.6-68.5174.1000113.3V17 A18 V19V17-L21 HydrophobicContact CG1-CD1 3.73Å; V17-L21 HydrophobicContact CG1-CG 4.15Å; V17-L21 WeakPolarHBondContact O-CB 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 2.91Å; A18-L21 PolarHBondContact O-N 2.71Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.21Å
22H89.1Confident88.8Confident156 Ų15697.1 Ų97.172%0.72255%0.552SS**Hα-helixtrans-103.9-3.3178.3-68.680.6000113.7A18 V19 Y20 P24A18-H22 PolarHBondContact O-N 3.02Å; A18-H22 VanDerWaalsContact O-N 3.08Å; A18-H22 PolarHBondContact O-ND1 3Å; V19-H22 CarbonylContact O-C 3.45Å; V19-H22 PolarHBondContact O-N 3.13Å; Y20-H22 VanDerWaalsContact C-N 3.26Å; Y20-H22 PolarHBondContact O-N 2.97Å; H22-P24 WeakPolarHBondContact O-CD 3.37Å
23I84.6Confident89.3Confident104 Ų10496.6 Ų96.653%0.53355%0.547SS..SBendtrans-64.5121.1171.2-75.2167.9000107.3V19 Y20V19-I23 HydrophobicContact CG1-CD1 4.22Å; V19-I23 HydrophobicContact CG1-CG1 4.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.36Å; V19-I23 PolarHBondContact O-N 2.95Å; Y20-I23 PolarHBondContact O-N 2.95Å
24P82.9Confident89.7Confident99 Ų99101.4 Ų101.464%0.64356%0.561SS**PPolyproline II helixtrans-61.1144.9175.326.8-33.7000108.8H22H22-P24 WeakPolarHBondContact O-CD 3.37Å
25P80.3Confident90.1Very high112 Ų11296.8 Ų96.873%0.72753%0.532SS*.PPolyproline II helixtrans-54.4140.4174.722.8-31.8000109.4Q27P25-Q27 PolarHBondContact O-N 3.23Å
26P84.4Confident90.5Very high122 Ų12296.5 Ų96.579%0.79253%0.525SS*.PPolyproline II helixtrans-57.4138.9-18024.5-33.5000109.6
27Q89.6Confident90.9Very high183 Ų18396.2 Ų96.286%0.85553%0.532SS*.PPolyproline II helixtrans-64.3142173.4-66.7-175.8-4.300109.6P25 S29P25-Q27 PolarHBondContact O-N 3.23Å; Q27-S29 PolarHBondContact O-N 3.44Å
28L92Very high91.3Very high69 Ų6994.9 Ų94.936%0.36153%0.529SS..PPolyproline II helixtrans-61.7136.5174.2-59.7177.2000109.3L32 Q33 F101L28-L32 HydrophobicContact CB-CB 4.47Å; L28-L32 HydrophobicContact CB-CD2 4.46Å; L28-L32 HydrophobicContact CB-CG 4.46Å; L28-L32 HydrophobicContact CD2-CD2 3.53Å; L28-L32 HydrophobicContact CD2-CG 4.02Å; L28-Q33 HydrophobicContact CB-CG 3.54Å; L28-Q33 HydrophobicContact CD1-CG 4.34Å; L28-Q33 PolarHBondContact O-NE2 3.34Å; L28-F101 HydrophobicContact CD1-CE1 3.86Å; L28-F101 HydrophobicContact CD1-CZ 4.27Å; L28-F101 HydrophobicContact CD2-CE1 4.1Å; L28-F101 HydrophobicContact CD2-CZ 4.47Å
29S94.5Very high91.9Very high64 Ų6493.9 Ų93.945%0.44852%0.523SS..PPolyproline II helixtrans-62.3156.8171.168.80000110.7Q27 T31 L32 Q33Q27-S29 PolarHBondContact O-N 3.44Å; S29-T31 PolarHBondContact O-N 3.15Å; S29-L32 PolarHBondContact O-N 2.96Å; S29-L32 WeakPolarHBondContact OG-CB 3.23Å; S29-L32 PolarHBondContact OG-N 2.77Å; S29-Q33 WeakPolarHBondContact O-CG 3.48Å; S29-Q33 PolarHBondContact O-N 2.96Å
30A95.7Very high92.4Very high78 Ų7894.2 Ų94.265%0.64552%0.522SS*.Hα-helixtrans-54.4-39179.900000112.8Q33 K34A30-Q33 PolarHBondContact O-N 2.71Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 2.99Å
31T95.8Very high92.9Very high66 Ų6688.6 Ų88.641%0.40550%0.501SS..Hα-helixtrans-66.8-40.3177.4-44.70000112.1S29 K34 W35 Y75S29-T31 PolarHBondContact O-N 3.15Å; T31-K34 PolarHBondContact O-N 3.29Å; T31-W35 PolarHBondContact O-N 3.35Å; T31-Y75 VanDerWaalsContact CB-OH 3.3Å; T31-Y75 WeakPolarHBondContact CB-OH 3.43Å; T31-Y75 HydrophobicContact CG2-CE2 4.07Å; T31-Y75 WeakPolarHBondContact CG2-OH 3.28Å
32L95.8Very high93.4Very high37 Ų3782.9 Ų82.919%0.19447%0.471CS..Hα-helixtrans-73-34.8179-173.657.7000111.8L28 S29 W35 H36 Y75 F101L28-L32 HydrophobicContact CB-CB 4.47Å; L28-L32 HydrophobicContact CB-CD2 4.46Å; L28-L32 HydrophobicContact CB-CG 4.46Å; L28-L32 HydrophobicContact CD2-CD2 3.53Å; L28-L32 HydrophobicContact CD2-CG 4.02Å; S29-L32 PolarHBondContact O-N 2.96Å; S29-L32 WeakPolarHBondContact OG-CB 3.23Å; S29-L32 PolarHBondContact OG-N 2.77Å; L32-W35 WeakPolarHBondContact O-CB 3.41Å; L32-W35 PolarHBondContact O-N 2.91Å; L32-H36 WeakPolarHBondContact O-CB 3.29Å; L32-H36 PolarHBondContact O-N 3.38Å; L32-Y75 HydrophobicContact CB-CE2 4.49Å; L32-Y75 HydrophobicContact CD1-CD1 4.17Å; L32-Y75 HydrophobicContact CD1-CD2 3.64Å; L32-Y75 HydrophobicContact CD1-CE2 4.09Å; L32-Y75 HydrophobicContact CD1-CG 3.67Å; L32-F101 HydrophobicContact CD1-CE2 3.95Å; L32-F101 HydrophobicContact CD1-CZ 3.66Å; L32-F101 HydrophobicContact CD2-CZ 4.48Å; L32-F101 HydrophobicContact CG-CZ 3.84Å
33Q96.6Very high93.9Very high93 Ų9381.5 Ų81.544%0.43547%0.465SS..Hα-helixtrans-61.5-47.1169.6-68.41788.400111.1L28 S29 A30 W35 H36 S37L28-Q33 HydrophobicContact CB-CG 3.54Å; L28-Q33 HydrophobicContact CD1-CG 4.34Å; L28-Q33 PolarHBondContact O-NE2 3.34Å; S29-Q33 WeakPolarHBondContact O-CG 3.48Å; S29-Q33 PolarHBondContact O-N 2.96Å; A30-Q33 PolarHBondContact O-N 2.71Å; Q33-W35 VanDerWaalsContact C-N 3.29Å; Q33-W35 PolarHBondContact O-N 3Å; Q33-H36 PolarHBondContact O-N 3.46Å; Q33-S37 WeakPolarHBondContact O-CB 3.38Å; Q33-S37 PolarHBondContact O-N 2.92Å; Q33-S37 PolarHBondContact O-OG 3.16Å; Q33-S37 VanDerWaalsContact O-OG 3.04Å
34K96.9Very high94.5Very high162 Ų16277.5 Ų77.570%0.70444%0.443SS*.Hα-helixtrans-58.7-42.3175.8-175.9-177177.3-172.40111.4A30 T31 A38A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 2.99Å; T31-K34 PolarHBondContact O-N 3.29Å; K34-A38 WeakPolarHBondContact O-CB 3.5Å; K34-A38 PolarHBondContact O-N 3.5Å
35W97.7Very high95.1Very high6 Ų682.2 Ų82.22%0.02345%0.448CS..Hα-helixtrans-60.9-50.5176-171.1-98.5000111.8T31 L32 Q33 A38 G39 R52 S74 Y75 N78 W81T31-W35 PolarHBondContact O-N 3.35Å; L32-W35 WeakPolarHBondContact O-CB 3.41Å; L32-W35 PolarHBondContact O-N 2.91Å; Q33-W35 VanDerWaalsContact C-N 3.29Å; Q33-W35 PolarHBondContact O-N 3Å; W35-A38 PolarHBondContact O-N 2.87Å; W35-G39 PolarHBondContact O-N 2.88Å; W35-R52 HydrophobicContact CD2-CG 4.37Å; W35-R52 HydrophobicContact CZ2-CB 4.42Å; W35-R52 HydrophobicContact CZ2-CG 3.88Å; W35-R52 WeakPolarHBondContact O-CD 3.27Å; W35-S74 VanDerWaalsContact CZ2-O 3.23Å; W35-S74 WeakPolarHBondContact CZ2-O 3.48Å; W35-S74 PolarHBondContact NE1-OG 2.69Å; W35-S74 VanDerWaalsContact NE1-OG 3.13Å; W35-Y75 HydrophobicContact CB-CD2 3.73Å; W35-Y75 HydrophobicContact CB-CE2 3.99Å; W35-Y75 AromaticContact CD1-CD2 3.92Å; W35-Y75 AromaticContact CD2-CD2 3.87Å; W35-Y75 HydrophobicContact CD2-CD2 3.87Å; W35-Y75 HydrophobicContact CE3-CD2 4.42Å; W35-Y75 AromaticContact CG-CD2 3.57Å; W35-Y75 HydrophobicContact CG-CD2 3.57Å; W35-Y75 HydrophobicContact CG-CE2 4.26Å; W35-N78 HydrophobicContact CE3-CB 3.9Å; W35-N78 VanDerWaalsContact CE3-OD1 3.29Å; W35-N78 HydrophobicContact CH2-CB 4.25Å; W35-N78 VanDerWaalsContact CZ3-CA 3.49Å; W35-N78 HydrophobicContact CZ3-CB 3.77Å; W35-W81 HydrophobicContact CH2-CB 3.91Å; W35-W81 AromaticContact CH2-CD2 3.53Å; W35-W81 HydrophobicContact CH2-CD2 3.53Å; W35-W81 AromaticContact CH2-CE3 3.4Å; W35-W81 HydrophobicContact CH2-CE3 3.4Å; W35-W81 AromaticContact CH2-CG 3.78Å; W35-W81 HydrophobicContact CH2-CG 3.78Å; W35-W81 HydrophobicContact CH2-CZ3 4.12Å; W35-W81 HydrophobicContact CZ2-CD2 4.48Å; W35-W81 HydrophobicContact CZ2-CE3 4.07Å; W35-W81 HydrophobicContact CZ2-CZ3 4.37Å; W35-W81 HydrophobicContact CZ3-CB 3.85Å; W35-W81 AromaticContact CZ3-CD2 3.99Å; W35-W81 HydrophobicContact CZ3-CD2 3.99Å; W35-W81 HydrophobicContact CZ3-CE3 4.31Å; W35-W81 AromaticContact CZ3-CG 3.79Å; W35-W81 HydrophobicContact CZ3-CG 3.79Å
36H97.6Very high95.9Very high60 Ų6080.1 Ų80.128%0.27845%0.447SS..Hα-helixtrans-59.1-49.6178.7179-108.8000112.3L32 Q33 A38 G39 F41 F50 F101L32-H36 WeakPolarHBondContact O-CB 3.29Å; L32-H36 PolarHBondContact O-N 3.38Å; Q33-H36 PolarHBondContact O-N 3.46Å; H36-A38 PolarHBondContact O-N 2.8Å; H36-A38 VanDerWaalsContact O-N 3.13Å; H36-G39 PolarHBondContact O-N 3.37Å; H36-F41 AromaticContact NE2-CE2 3.96Å; H36-F41 AromaticContact NE2-CZ 3.72Å; H36-F50 AromaticContact CD2-CE2 3.81Å; H36-F50 WeakPolarHBondContact O-CE2 3.49Å; H36-F101 HydrophobicContact CB-CD2 4.32Å; H36-F101 HydrophobicContact CB-CE1 4.13Å; H36-F101 HydrophobicContact CB-CE2 3.77Å; H36-F101 HydrophobicContact CB-CZ 3.66Å; H36-F101 AromaticContact CD2-CD1 3.49Å; H36-F101 VanDerWaalsContact CD2-CD1 3.49Å; H36-F101 WeakPolarHBondContact CD2-CD1 3.48Å; H36-F101 AromaticContact CD2-CD2 3.68Å; H36-F101 AromaticContact CD2-CE1 3.83Å; H36-F101 AromaticContact CD2-CE2 3.99Å; H36-F101 AromaticContact CD2-CG 3.4Å; H36-F101 VanDerWaalsContact CD2-CG 3.4Å; H36-F101 WeakPolarHBondContact CD2-CG 3.33Å
37S97.5Very high96.6Very high101 Ų10176.2 Ų76.271%0.70642%0.418SS*.Hα-helixtrans-65-17.7-177.9-60.60000114Q33Q33-S37 WeakPolarHBondContact O-CB 3.38Å; Q33-S37 PolarHBondContact O-N 2.92Å; Q33-S37 PolarHBondContact O-OG 3.16Å; Q33-S37 VanDerWaalsContact O-OG 3.04Å
38A97.4Very high97Very high50 Ų5071.6 Ų71.641%0.41340%0.395SS..THydrogen-bonded Turntrans-96.7-2.2177.400000112.5K34 W35 H36 R52K34-A38 WeakPolarHBondContact O-CB 3.5Å; K34-A38 PolarHBondContact O-N 3.5Å; W35-A38 PolarHBondContact O-N 2.87Å; H36-A38 PolarHBondContact O-N 2.8Å; H36-A38 VanDerWaalsContact O-N 3.13Å; A38-R52 PolarHBondContact O-NH1 2.9Å
39G97.9Very high97.3Very high22 Ų2268.3 Ų68.323%0.22738%0.377CS..  trans-95.6179.917300000112.8W35 H36 Y51W35-G39 PolarHBondContact O-N 2.88Å; H36-G39 PolarHBondContact O-N 3.37Å; G39-Y51 CarbonylContact C-O 3.46Å; G39-Y51 WeakPolarHBondContact CA-O 3.46Å
40D98.5Very high97.5Very high94 Ų9465.3 Ų65.350%0.50336%0.356SS..EExtended strand (participates in β ladder)trans-140.1176.5175.7-155.8-10.2000109.9F50 Y51D40-F50 WeakPolarHBondContact O-CA 3.33Å; D40-Y51 HydrophobicContact CB-CE1 3.98Å; D40-Y51 HydrophobicContact CB-CE2 4.49Å; D40-Y51 PolarHBondContact N-O 2.65Å; D40-Y51 WeakPolarHBondContact O-CD1 3.45Å; D40-Y51 PolarHBondContact O-N 3.38Å
41F98.7Very high97.7Very high56 Ų5662.4 Ų62.425%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-125.2135.2-179.6-66.1-94.7000111.2H36 K48 I49 F50 F101H36-F41 AromaticContact NE2-CE2 3.96Å; H36-F41 AromaticContact NE2-CZ 3.72Å; F41-K48 HydrophobicContact CD1-CB 4.12Å; F41-I49 VanDerWaalsContact CA-O 3.31Å; F41-I49 WeakPolarHBondContact CA-O 3.31Å; F41-F50 HydrophobicContact CD1-CB 3.98Å; F41-F50 HydrophobicContact CD1-CD2 4.45Å; F41-F50 HydrophobicContact CD2-CD2 4.42Å; F41-F50 HydrophobicContact CE1-CB 3.65Å; F41-F50 AromaticContact CE1-CD2 3.95Å; F41-F50 HydrophobicContact CE1-CD2 3.95Å; F41-F50 HydrophobicContact CE1-CG 4.3Å; F41-F50 AromaticContact CE2-CD2 3.89Å; F41-F50 HydrophobicContact CE2-CD2 3.89Å; F41-F50 HydrophobicContact CZ-CB 4.21Å; F41-F50 AromaticContact CZ-CD2 3.64Å; F41-F50 HydrophobicContact CZ-CD2 3.64Å; F41-F50 HydrophobicContact CZ-CG 4.38Å; F41-F101 HydrophobicContact CE1-CB 4.43Å; F41-F101 HydrophobicContact CZ-CB 4.33Å
42F98.2Very high97.8Very high7 Ų760.3 Ų60.33%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-113.6160.516486.5-75.7000110.7F44 I49 Y51 I118 A121 L122 H125F42-F44 HydrophobicContact CE2-CB 3.92Å; F42-F44 HydrophobicContact CZ-CB 4.31Å; F42-I49 HydrophobicContact CD1-CB 3.72Å; F42-I49 HydrophobicContact CD1-CG2 4.09Å; F42-I49 HydrophobicContact CE1-CB 3.36Å; F42-I49 HydrophobicContact CE1-CG1 4.03Å; F42-I49 HydrophobicContact CE1-CG2 3.4Å; F42-I49 HydrophobicContact CZ-CB 4Å; F42-I49 HydrophobicContact CZ-CG1 4.15Å; F42-I49 HydrophobicContact CZ-CG2 4.14Å; F42-I49 PolarHBondContact N-O 3.31Å; F42-I49 PolarHBondContact O-N 3.34Å; F42-Y51 HydrophobicContact CB-CE1 4.14Å; F42-Y51 AromaticContact CD1-CD1 3.97Å; F42-Y51 HydrophobicContact CD1-CD1 3.97Å; F42-Y51 HydrophobicContact CD1-CE1 4.36Å; F42-I118 HydrophobicContact CE1-CG2 4.46Å; F42-I118 HydrophobicContact CZ-CG2 3.96Å; F42-A121 HydrophobicContact CE2-CB 4.11Å; F42-L122 HydrophobicContact CD1-CD1 3.59Å; F42-L122 HydrophobicContact CE1-CB 3.74Å; F42-L122 HydrophobicContact CE1-CD1 3.61Å; F42-L122 HydrophobicContact CE1-CD2 4.45Å; F42-L122 HydrophobicContact CE1-CG 4.12Å; F42-L122 HydrophobicContact CE2-CB 4.39Å; F42-L122 HydrophobicContact CG-CD1 4.23Å; F42-L122 HydrophobicContact CZ-CB 3.68Å; F42-L122 HydrophobicContact CZ-CD1 4.29Å; F42-H125 HydrophobicContact CD2-CB 4.39Å
43H98.4Very high97.9Very high127 Ų12760.3 Ų60.359%0.58831%0.314SS*.EExtended strand (participates in β ladder)trans-103.6120.5-179.6-68.675.1000110.4K47H43-K47 CarbonylContact C-O 3.52Å; H43-K47 WeakPolarHBondContact CA-O 3.37Å
44F97.8Very high97.9Very high19 Ų1957.2 Ų57.28%0.08330%0.302CS..EExtended strand (participates in β ladder)trans-112.6111171.5178.5-100.7000109.7F42 G46 K47 I49 E114 I118 A121F42-F44 HydrophobicContact CE2-CB 3.92Å; F42-F44 HydrophobicContact CZ-CB 4.31Å; F44-G46 PolarHBondContact O-N 2.76Å; F44-G46 VanDerWaalsContact O-N 3.16Å; F44-K47 PolarHBondContact N-O 3.21Å; F44-K47 WeakPolarHBondContact O-CB 3.41Å; F44-K47 PolarHBondContact O-N 3.14Å; F44-I49 HydrophobicContact CB-CG1 4.08Å; F44-E114 HydrophobicContact CE1-CG 4.46Å; F44-I118 HydrophobicContact CB-CG1 4.36Å; F44-I118 HydrophobicContact CD1-CD1 4.11Å; F44-I118 HydrophobicContact CD1-CG1 3.35Å; F44-I118 HydrophobicContact CD2-CG1 4.34Å; F44-I118 HydrophobicContact CE1-CD1 4.34Å; F44-I118 HydrophobicContact CE1-CG1 3.54Å; F44-I118 HydrophobicContact CE2-CG1 4.49Å; F44-I118 HydrophobicContact CG-CG1 3.77Å; F44-I118 HydrophobicContact CZ-CG1 4.12Å; F44-A121 HydrophobicContact CD2-CB 3.47Å; F44-A121 VanDerWaalsContact CD2-CB 3.47Å; F44-A121 HydrophobicContact CE2-CB 3.73Å
45R96.7Very high97.7Very high198 Ų19856.5 Ų56.575%0.74730%0.296SS*.THydrogen-bonded Turntrans49.143179.8-59.1-179.4176.8174.7-0.4112.9K47R45-K47 VanDerWaalsContact C-N 3.34Å; R45-K47 PolarHBondContact O-N 2.82Å
46G96.9Very high97.2Very high68 Ų6857.6 Ų57.670%0.70131%0.309SS*.THydrogen-bonded Turntrans79.85.9-179.300000115.7F44F44-G46 PolarHBondContact O-N 2.76Å; F44-G46 VanDerWaalsContact O-N 3.16Å
47K98.1Very high96.2Very high41 Ų4156 Ų5618%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-105.3134.4176.7-50.2-176.5-171.6-57.80110.2H43 F44 R45 L97 P105H43-K47 CarbonylContact C-O 3.52Å; H43-K47 WeakPolarHBondContact CA-O 3.37Å; F44-K47 PolarHBondContact N-O 3.21Å; F44-K47 WeakPolarHBondContact O-CB 3.41Å; F44-K47 PolarHBondContact O-N 3.14Å; R45-K47 VanDerWaalsContact C-N 3.34Å; R45-K47 PolarHBondContact O-N 2.82Å; K47-L97 HydrophobicContact CB-CD1 3.92Å; K47-L97 HydrophobicContact CD-CD1 3.57Å; K47-L97 HydrophobicContact CD-CD2 3.46Å; K47-L97 VanDerWaalsContact CD-CD2 3.46Å; K47-L97 HydrophobicContact CD-CG 4.17Å; K47-L97 HydrophobicContact CG-CD1 4.32Å; K47-P105 HydrophobicContact CD-CG 4.34Å
48K98.6Very high95Very high86 Ų8659.7 Ų59.737%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-80122.7175.6-59.5-172.376.7-175.70109.8F41 D103F41-K48 HydrophobicContact CD1-CB 4.12Å; K48-D103 PolarHBondContact N-OD2 2.93Å; K48-D103 PolarHBondContact O-N 3.16Å
49I98.8Very high93.6Very high0 Ų061.5 Ų61.50%034%0.341CS..EExtended strand (participates in β ladder)trans-115.5118.7178.1-52.9-60.7000107.9F41 F42 F44 L94 L97 S102 I118F41-I49 VanDerWaalsContact CA-O 3.31Å; F41-I49 WeakPolarHBondContact CA-O 3.31Å; F42-I49 HydrophobicContact CD1-CB 3.72Å; F42-I49 HydrophobicContact CD1-CG2 4.09Å; F42-I49 HydrophobicContact CE1-CB 3.36Å; F42-I49 HydrophobicContact CE1-CG1 4.03Å; F42-I49 HydrophobicContact CE1-CG2 3.4Å; F42-I49 HydrophobicContact CZ-CB 4Å; F42-I49 HydrophobicContact CZ-CG1 4.15Å; F42-I49 HydrophobicContact CZ-CG2 4.14Å; F42-I49 PolarHBondContact N-O 3.31Å; F42-I49 PolarHBondContact O-N 3.34Å; F44-I49 HydrophobicContact CB-CG1 4.08Å; I49-L94 HydrophobicContact CG2-CD1 4.28Å; I49-L97 HydrophobicContact CD1-CB 4.08Å; I49-L97 HydrophobicContact CD1-CD1 3.75Å; I49-S102 WeakPolarHBondContact CA-OG 3.36Å; I49-I118 HydrophobicContact CD1-CD1 4.16Å; I49-I118 HydrophobicContact CD1-CG2 4.31Å; I49-I118 HydrophobicContact CG1-CG2 4.05Å; I49-I118 HydrophobicContact CG2-CG2 3.91Å
50F98.9Very high92.6Very high0 Ų062 Ų620%034%0.34CS..EExtended strand (participates in β ladder)trans-75.4139.8175.2178.1-98.3000110.2H36 D40 F41 R52 L94 D95 F101 S102H36-F50 AromaticContact CD2-CE2 3.81Å; H36-F50 WeakPolarHBondContact O-CE2 3.49Å; D40-F50 WeakPolarHBondContact O-CA 3.33Å; F41-F50 HydrophobicContact CD1-CB 3.98Å; F41-F50 HydrophobicContact CD1-CD2 4.45Å; F41-F50 HydrophobicContact CD2-CD2 4.42Å; F41-F50 HydrophobicContact CE1-CB 3.65Å; F41-F50 AromaticContact CE1-CD2 3.95Å; F41-F50 HydrophobicContact CE1-CD2 3.95Å; F41-F50 HydrophobicContact CE1-CG 4.3Å; F41-F50 AromaticContact CE2-CD2 3.89Å; F41-F50 HydrophobicContact CE2-CD2 3.89Å; F41-F50 HydrophobicContact CZ-CB 4.21Å; F41-F50 AromaticContact CZ-CD2 3.64Å; F41-F50 HydrophobicContact CZ-CD2 3.64Å; F41-F50 HydrophobicContact CZ-CG 4.38Å; F50-R52 HydrophobicContact CE1-CG 3.83Å; F50-R52 HydrophobicContact CZ-CG 4Å; F50-L94 WeakPolarHBondContact O-CA 3.39Å; F50-D95 HydrophobicContact CB-CB 4.27Å; F50-D95 HydrophobicContact CD1-CB 4.39Å; F50-D95 WeakPolarHBondContact CD1-OD2 3.3Å; F50-D95 PolarHBondContact O-N 2.86Å; F50-F101 HydrophobicContact CB-CB 3.72Å; F50-F101 HydrophobicContact CD1-CB 4.18Å; F50-F101 AromaticContact CD1-CD2 3.88Å; F50-F101 HydrophobicContact CD1-CD2 3.88Å; F50-F101 HydrophobicContact CD2-CB 3.96Å; F50-F101 HydrophobicContact CD2-CD2 4.34Å; F50-F101 AromaticContact CE1-CD2 3.79Å; F50-F101 HydrophobicContact CE1-CD2 3.79Å; F50-F101 HydrophobicContact CE1-CE2 4.47Å; F50-F101 HydrophobicContact CE2-CD2 4.26Å; F50-F101 HydrophobicContact CG-CB 3.69Å; F50-F101 HydrophobicContact CG-CD2 4.15Å; F50-F101 HydrophobicContact CG-CG 4.39Å; F50-F101 AromaticContact CZ-CD2 3.98Å; F50-F101 HydrophobicContact CZ-CD2 3.98Å; F50-S102 PolarHBondContact N-OG 3Å
51Y98.8Very high91.8Very high17 Ų1761.5 Ų61.57%0.06735%0.345CS..EExtended strand (participates in β ladder)trans-144.4156.9170.372.1-81.7000111.6G39 D40 F42 D53 A93 L122 L126G39-Y51 CarbonylContact C-O 3.46Å; G39-Y51 WeakPolarHBondContact CA-O 3.46Å; D40-Y51 HydrophobicContact CB-CE1 3.98Å; D40-Y51 HydrophobicContact CB-CE2 4.49Å; D40-Y51 PolarHBondContact N-O 2.65Å; D40-Y51 WeakPolarHBondContact O-CD1 3.45Å; D40-Y51 PolarHBondContact O-N 3.38Å; F42-Y51 HydrophobicContact CB-CE1 4.14Å; F42-Y51 AromaticContact CD1-CD1 3.97Å; F42-Y51 HydrophobicContact CD1-CD1 3.97Å; F42-Y51 HydrophobicContact CD1-CE1 4.36Å; Y51-D53 HydrophobicContact CD2-CB 3.97Å; Y51-D53 HydrophobicContact CE2-CB 3.76Å; Y51-A93 CarbonylContact C-O 3.38Å; Y51-A93 WeakPolarHBondContact CA-O 3.19Å; Y51-A93 VanDerWaalsContact CB-O 3.3Å; Y51-A93 WeakPolarHBondContact CB-O 3.43Å; Y51-L122 HydrophobicContact CD1-CD1 3.88Å; Y51-L122 HydrophobicContact CD2-CD1 4.11Å; Y51-L122 HydrophobicContact CE1-CD1 4.27Å; Y51-L122 HydrophobicContact CG-CD1 3.79Å; Y51-L126 HydrophobicContact CE2-CD1 4.47Å; Y51-L126 HydrophobicContact CE2-CD2 3.72Å
52R98.3Very high91.4Very high22 Ų2261.6 Ų61.68%0.08335%0.348CS..EExtended strand (participates in β ladder)trans-109138.4169.4-72.5-81.3-74.2132.13.2107.9W35 A38 F50 W81 I92 A93W35-R52 HydrophobicContact CD2-CG 4.37Å; W35-R52 HydrophobicContact CZ2-CB 4.42Å; W35-R52 HydrophobicContact CZ2-CG 3.88Å; W35-R52 WeakPolarHBondContact O-CD 3.27Å; A38-R52 PolarHBondContact O-NH1 2.9Å; F50-R52 HydrophobicContact CE1-CG 3.83Å; F50-R52 HydrophobicContact CZ-CG 4Å; R52-W81 HydrophobicContact CB-CH2 3.36Å; R52-W81 HydrophobicContact CB-CZ2 3.73Å; R52-W81 HydrophobicContact CB-CZ3 4Å; R52-I92 VanDerWaalsContact O-CA 3.27Å; R52-I92 WeakPolarHBondContact O-CA 3.48Å; R52-A93 PolarHBondContact N-O 3.2Å; R52-A93 PolarHBondContact O-N 2.91Å
53D97.8Very high91.2Very high38 Ų3861.4 Ų61.420%0.20335%0.347CS..EExtended strand (participates in β ladder)trans-142.3128.6178.5-177.616.2000107.7Y51 R90 V91Y51-D53 HydrophobicContact CD2-CB 3.97Å; Y51-D53 HydrophobicContact CE2-CB 3.76Å; D53-R90 WeakPolarHBondContact OD1-CG 3.33Å; D53-R90 IonicContact OD1-CZ 3.29Å; D53-R90 IonicContact OD1-NE 2.71Å; D53-R90 PolarHBondContact OD1-NE 2.56Å; D53-R90 IonicContact OD1-NH2 2.96Å; D53-R90 IonicContact OD2-CZ 3.69Å; D53-R90 IonicContact OD2-NE 2.82Å; D53-R90 PolarHBondContact OD2-NE 3.18Å; D53-R90 IonicContact OD2-NH2 3.71Å; D53-R90 PolarHBondContact OD2-NH2 3.46Å; D53-V91 WeakPolarHBondContact CA-O 3.3Å
54S96Very high91.1Very high27 Ų2755.3 Ų55.319%0.18932%0.319CS..EExtended strand (participates in β ladder)trans-142.5133.2179.4-67.10000109.6W81 R90 V91S54-W81 WeakPolarHBondContact OG-CZ2 3.16Å; S54-W81 PolarHBondContact OG-NE1 2.94Å; S54-W81 VanDerWaalsContact OG-NE1 3.15Å; S54-R90 CarbonylContact O-C 3.59Å; S54-R90 VanDerWaalsContact O-CA 3.3Å; S54-R90 WeakPolarHBondContact O-CA 3.42Å; S54-V91 PolarHBondContact N-O 3.47Å; S54-V91 PolarHBondContact O-N 3.25Å
55Y93.6Very high91.1Very high148 Ų14854.6 Ų54.658%0.5832%0.316SS*.EExtended strand (participates in β ladder)trans-87.7140.1172.3-66-93.9000109.4H89 R90Y55-H89 CarbonylContact C-O 3.54Å; Y55-H89 WeakPolarHBondContact CA-O 3.48Å; Y55-R90 HydrophobicContact CD1-CG 4.35Å; Y55-R90 HydrophobicContact CE1-CG 4.29Å; Y55-R90 PolarHBondContact OH-NH2 2.91Å
56G86.6Confident91.2Very high28 Ų2845.2 Ų45.229%0.28928%0.28SS..  trans-126.6-131.9-16600000113.5L58 A85 F88 H89G56-L58 PolarHBondContact O-N 3.24Å; G56-A85 CarbonylContact C-O 3.56Å; G56-A85 WeakPolarHBondContact CA-O 3.41Å; G56-F88 CarbonylContact C-O 3.46Å; G56-F88 WeakPolarHBondContact CA-O 3.27Å; G56-H89 PolarHBondContact N-O 3.37Å
57A77.4Confident91.2Very high26 Ų2642 Ų4222%0.21525%0.247CC..  trans-55.9123-172.700000113.3G59 A85 Q86 F88A57-G59 PolarHBondContact O-N 3.15Å; A57-A85 PolarHBondContact N-O 3.2Å; A57-Q86 WeakPolarHBondContact CB-O 3.43Å; A57-F88 PolarHBondContact N-O 3.26Å
58L71.1Confident91.2Very high179 Ų17940 Ų4094%0.93724%0.239SC*.THydrogen-bonded Turntrans-65.5124.1170.7-66.2171.2000109.4G56G56-L58 PolarHBondContact O-N 3.24Å
59G69.3Low91Very high89 Ų8935.9 Ų35.992%0.91822%0.221SC*.THydrogen-bonded Turntrans100.9-8.9176.400000116A57A57-G59 PolarHBondContact O-N 3.15Å
60S75.9Confident90.7Very high31 Ų3142.2 Ų42.222%0.21725%0.249CC..  trans-85.4149.8161.5179.20000109.4D62 H89S60-D62 WeakPolarHBondContact OG-CB 3.27Å; S60-D62 PolarHBondContact OG-N 3.47Å; S60-H89 VanDerWaalsContact O-CB 3.23Å; S60-H89 WeakPolarHBondContact O-CB 3.32Å; S60-H89 VanDerWaalsContact O-CG 3.3Å; S60-H89 PolarHBondContact O-ND1 3.32Å
61S82.9Confident90.4Very high85 Ų8546.8 Ų46.859%0.59428%0.278SS*.  trans-108.62.6165.460.80000112.5
62D88.4Confident90.2Very high57 Ų5748.1 Ų48.131%0.30529%0.288SS..  trans-78.8131-173.2-70.7-35.9000111.3S60 F88 H89 R90S60-D62 WeakPolarHBondContact OG-CB 3.27Å; S60-D62 PolarHBondContact OG-N 3.47Å; D62-F88 HydrophobicContact CB-CD1 3.77Å; D62-F88 HydrophobicContact CB-CE1 4.36Å; D62-H89 VanDerWaalsContact O-CB 3.28Å; D62-H89 WeakPolarHBondContact O-CB 3.37Å; D62-H89 PolarHBondContact O-N 3.48Å; D62-R90 PolarHBondContact O-N 3.19Å
63V95Very high90.2Very high3 Ų347.9 Ų47.92%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-103.5136.5174.6-179.80000108.9R90 I92 L128 Q131 L133 N134V63-R90 WeakPolarHBondContact CA-O 3.47Å; V63-R90 HydrophobicContact CG1-CB 4.3Å; V63-R90 HydrophobicContact CG2-CB 4.19Å; V63-I92 HydrophobicContact CG1-CD1 3.78Å; V63-L128 HydrophobicContact CG1-CD1 4.18Å; V63-L128 HydrophobicContact CG2-CD2 4.14Å; V63-Q131 HydrophobicContact CG2-CB 4.49Å; V63-L133 HydrophobicContact CB-CD2 3.8Å; V63-L133 HydrophobicContact CG1-CD2 3.72Å; V63-N134 PolarHBondContact O-N 3.17Å; V63-N134 PolarHBondContact O-ND2 3.31Å
64V96.1Very high90.2Very high0 Ų046.1 Ų46.10%028%0.28CS..EExtended strand (participates in β ladder)trans-110.2130171179.90000109.7L66 F88 R90 I92 N134 I136V64-L66 HydrophobicContact CG1-CD2 3.52Å; V64-L66 HydrophobicContact CG1-CG 4.17Å; V64-F88 HydrophobicContact CG2-CB 3.88Å; V64-F88 HydrophobicContact CG2-CD1 3.44Å; V64-F88 VanDerWaalsContact CG2-CD1 3.44Å; V64-F88 HydrophobicContact CG2-CD2 3.42Å; V64-F88 VanDerWaalsContact CG2-CD2 3.42Å; V64-F88 HydrophobicContact CG2-CE1 3.7Å; V64-F88 HydrophobicContact CG2-CE2 3.69Å; V64-F88 HydrophobicContact CG2-CG 3.28Å; V64-F88 HydrophobicContact CG2-CZ 3.81Å; V64-R90 PolarHBondContact N-O 2.94Å; V64-I92 PolarHBondContact O-N 2.82Å; V64-N134 CarbonylContact C-O 3.58Å; V64-N134 VanDerWaalsContact CA-O 3.29Å; V64-N134 WeakPolarHBondContact CA-O 3.43Å; V64-N134 HydrophobicContact CG2-CB 4.13Å; V64-I136 HydrophobicContact CG1-CD1 3.9Å; V64-I136 HydrophobicContact CG1-CG1 4.14Å
65L97.9Very high90.3Very high4 Ų447.8 Ų47.82%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-113.5130.2171.9177.663.3000109.3L67 I92 V119 V123 N134 L135 I136L65-L67 HydrophobicContact CD2-CD2 4.45Å; L65-L67 HydrophobicContact CG-CD2 4.25Å; L65-I92 CarbonylContact C-O 3.58Å; L65-I92 WeakPolarHBondContact CA-O 3.19Å; L65-I92 HydrophobicContact CD1-CB 4.01Å; L65-I92 HydrophobicContact CD1-CG2 3.72Å; L65-V119 HydrophobicContact CD2-CG1 3.61Å; L65-V123 HydrophobicContact CD2-CG2 4.17Å; L65-N134 PolarHBondContact N-O 2.97Å; L65-L135 HydrophobicContact CB-CD1 3.92Å; L65-L135 HydrophobicContact CD2-CD1 3.89Å; L65-L135 HydrophobicContact CG-CD1 3.8Å; L65-L135 WeakPolarHBondContact O-CA 3.47Å; L65-L135 WeakPolarHBondContact O-CD1 3.33Å; L65-I136 PolarHBondContact O-N 3.33Å
66L98.3Very high90.4Very high0 Ų044 Ų440%027%0.273CS..EExtended strand (participates in β ladder)trans-114.1126.5-175.1-51.6176.6000110.7V64 W77 W81 L84 V91 I92 A93 I136V64-L66 HydrophobicContact CG1-CD2 3.52Å; V64-L66 HydrophobicContact CG1-CG 4.17Å; L66-W77 HydrophobicContact CB-CD2 4.04Å; L66-W77 HydrophobicContact CB-CG 3.96Å; L66-W77 HydrophobicContact CB-CZ2 4.4Å; L66-W77 HydrophobicContact CD1-CB 3.68Å; L66-W77 HydrophobicContact CD1-CD2 4.02Å; L66-W77 HydrophobicContact CD1-CG 3.62Å; L66-W77 HydrophobicContact CG-CD2 4.43Å; L66-W77 HydrophobicContact CG-CG 4.35Å; L66-W81 HydrophobicContact CD1-CE3 4.06Å; L66-W81 HydrophobicContact CD1-CZ3 4Å; L66-L84 HydrophobicContact CD1-CD1 3.87Å; L66-L84 HydrophobicContact CD2-CD1 3.98Å; L66-V91 HydrophobicContact CD1-CG1 3.86Å; L66-V91 HydrophobicContact CG-CG1 4.39Å; L66-I92 PolarHBondContact N-O 3.44Å; L66-A93 HydrophobicContact CB-CB 3.96Å; L66-A93 HydrophobicContact CD1-CB 4.45Å; L66-I136 CarbonylContact C-O 3.53Å; L66-I136 VanDerWaalsContact CA-O 3.29Å; L66-I136 WeakPolarHBondContact CA-O 2.92Å; L66-I136 HydrophobicContact CD2-CB 3.65Å; L66-I136 HydrophobicContact CD2-CD1 3.81Å; L66-I136 HydrophobicContact CD2-CG1 4.01Å; L66-I136 HydrophobicContact CD2-CG2 4.39Å
67L98.3Very high90.9Very high0 Ų043.8 Ų43.80%026%0.263CS..EExtended strand (participates in β ladder)trans-116.2116.7179.8-54.8-175.1000110.8L65 W77 L94 F96 V119 L135 I136 S137 H138 V144 A145 L148L65-L67 HydrophobicContact CD2-CD2 4.45Å; L65-L67 HydrophobicContact CG-CD2 4.25Å; L67-W77 WeakPolarHBondContact O-CZ2 3.47Å; L67-L94 HydrophobicContact CD2-CD2 3.47Å; L67-L94 VanDerWaalsContact CD2-CD2 3.47Å; L67-F96 HydrophobicContact CB-CE2 4.32Å; L67-F96 HydrophobicContact CB-CZ 3.92Å; L67-F96 HydrophobicContact CD1-CZ 4.37Å; L67-F96 HydrophobicContact CD2-CE1 4.35Å; L67-F96 HydrophobicContact CD2-CZ 4.05Å; L67-F96 HydrophobicContact CG-CZ 4.33Å; L67-V119 HydrophobicContact CD2-CG1 4.48Å; L67-V119 HydrophobicContact CD2-CG2 3.83Å; L67-L135 HydrophobicContact CD1-CD1 3.79Å; L67-L135 HydrophobicContact CD1-CD2 4.09Å; L67-L135 HydrophobicContact CD1-CG 4.32Å; L67-L135 HydrophobicContact CD2-CD1 4.36Å; L67-L135 HydrophobicContact CG-CD1 3.7Å; L67-I136 PolarHBondContact N-O 2.89Å; L67-S137 CarbonylContact O-C 3.59Å; L67-S137 WeakPolarHBondContact O-CA 3.4Å; L67-H138 PolarHBondContact O-N 3.05Å; L67-V144 HydrophobicContact CD1-CB 4.42Å; L67-V144 HydrophobicContact CD1-CG1 4.24Å; L67-A145 HydrophobicContact CD1-CB 4.16Å; L67-L148 HydrophobicContact CD1-CD1 4.29Å
68H97.6Very high91.8Very high0 Ų044.8 Ų44.80%027%0.265CS..  trans-80.1169.4-17774.383.1000113.8T72 S73 L94 F96 F99 H138 G141H68-T72 PolarHBondContact CE1-O 2.81Å; H68-T72 VanDerWaalsContact CE1-O 3.28Å; H68-T72 PolarHBondContact ND1-O 2.9Å; H68-S73 VanDerWaalsContact CB-C 3.46Å; H68-S73 VanDerWaalsContact CB-O 3.26Å; H68-S73 WeakPolarHBondContact CB-O 3.34Å; H68-S73 VanDerWaalsContact CG-CA 3.48Å; H68-S73 PolarHBondContact ND1-N 3.22Å; H68-L94 PolarHBondContact CD2-O 2.87Å; H68-L94 VanDerWaalsContact CD2-O 3.25Å; H68-F96 AromaticContact CD2-CD2 3.87Å; H68-F96 AromaticContact CE1-CD2 3.63Å; H68-F96 AromaticContact NE2-CD2 3.47Å; H68-F96 WeakPolarHBondContact NE2-CD2 3.42Å; H68-F96 AromaticContact NE2-CG 3.79Å; H68-F96 PolarHBondContact NE2-N 2.68Å; H68-F96 VanDerWaalsContact O-CE2 3.23Å; H68-F96 WeakPolarHBondContact O-CE2 3.39Å; H68-F99 AromaticContact CE1-CG 3.73Å; H68-H138 CarbonylContact C-O 3.59Å; H68-G141 WeakPolarHBondContact O-CA 3.3Å; H68-G141 PolarHBondContact O-N 2.94Å
69G94.8Very high93Very high0 Ų045.3 Ų45.30%026%0.26CS..  trans-94.5-172.1179.800000115.7T72 H138G69-T72 PolarHBondContact O-N 3.26Å; G69-T72 PolarHBondContact O-OG1 2.83Å; G69-T72 VanDerWaalsContact O-OG1 3.11Å; G69-H138 WeakPolarHBondContact CA-O 3.23Å; G69-H138 PolarHBondContact N-O 3.07Å
70F92.6Very high94.2Very high133 Ų13344.4 Ų44.458%0.58323%0.233SC*.THydrogen-bonded Turntrans-95.3141.1167.6178.4-88.3000110.2F99 D139F70-F99 AromaticContact CD2-CE1 3.56Å; F70-F99 HydrophobicContact CD2-CE1 3.56Å; F70-F99 AromaticContact CD2-CZ 3.74Å; F70-F99 HydrophobicContact CD2-CZ 3.74Å; F70-F99 HydrophobicContact CE2-CE1 4.09Å; F70-F99 HydrophobicContact CE2-CZ 4.32Å; F70-F99 HydrophobicContact CG-CE1 4.49Å; F70-D139 PolarHBondContact N-OD1 3.11Å
71P92.4Very high95.2Very high96 Ų9643.1 Ų43.162%0.62322%0.223SC*.THydrogen-bonded Turncis-96.938.9-5.338.1-34.2000112.3
72T94.9Very high95.8Very high44 Ų4444 Ų4427%0.2722%0.222SC..  trans-96.9-152-165.563.80000113.1H68 G69 D76H68-T72 PolarHBondContact CE1-O 2.81Å; H68-T72 VanDerWaalsContact CE1-O 3.28Å; H68-T72 PolarHBondContact ND1-O 2.9Å; G69-T72 PolarHBondContact O-N 3.26Å; G69-T72 PolarHBondContact O-OG1 2.83Å; G69-T72 VanDerWaalsContact O-OG1 3.11Å; T72-D76 VanDerWaalsContact CB-OD1 3.32Å; T72-D76 WeakPolarHBondContact CB-OD1 3.47Å; T72-D76 WeakPolarHBondContact CB-OD2 3.29Å; T72-D76 WeakPolarHBondContact CG2-OD2 3.35Å; T72-D76 PolarHBondContact OG1-OD2 3.29Å
73S97.7Very high96.1Very high18 Ų1845 Ų4513%0.12623%0.231CC..  trans-155.8178-17765.80000111.2H68 Y75 D76 D95H68-S73 VanDerWaalsContact CB-C 3.46Å; H68-S73 VanDerWaalsContact CB-O 3.26Å; H68-S73 WeakPolarHBondContact CB-O 3.34Å; H68-S73 VanDerWaalsContact CG-CA 3.48Å; H68-S73 PolarHBondContact ND1-N 3.22Å; S73-Y75 PolarHBondContact O-N 2.88Å; S73-Y75 WeakPolarHBondContact OG-CB 3.43Å; S73-Y75 PolarHBondContact OG-N 3.14Å; S73-D76 PolarHBondContact O-N 2.76Å; S73-D95 WeakPolarHBondContact CB-OD1 3.34Å
74S98.2Very high96Very high0 Ų045.9 Ų45.90%024%0.235CC..G310 helixtrans-51.3-24.1172.162.20000113.8W35 D76 W77 D95W35-S74 VanDerWaalsContact CZ2-O 3.23Å; W35-S74 WeakPolarHBondContact CZ2-O 3.48Å; W35-S74 PolarHBondContact NE1-OG 2.69Å; W35-S74 VanDerWaalsContact NE1-OG 3.13Å; S74-D76 PolarHBondContact O-N 3.46Å; S74-D76 VanDerWaalsContact O-N 3.17Å; S74-W77 WeakPolarHBondContact O-CB 3.35Å; S74-W77 PolarHBondContact O-N 2.89Å; S74-W77 VanDerWaalsContact O-N 3.14Å; S74-D95 WeakPolarHBondContact CA-OD1 3.42Å; S74-D95 WeakPolarHBondContact CB-OD1 3.35Å; S74-D95 PolarHBondContact N-OD1 3.41Å; S74-D95 PolarHBondContact OG-OD1 3.01Å
75Y97.9Very high95.9Very high63 Ų6346.6 Ų46.625%0.24724%0.242CC..G310 helixtrans-61.4-19.8177.7-172.9-107.1000113.9T31 L32 W35 S73 W77 N78T31-Y75 VanDerWaalsContact CB-OH 3.3Å; T31-Y75 WeakPolarHBondContact CB-OH 3.43Å; T31-Y75 HydrophobicContact CG2-CE2 4.07Å; T31-Y75 WeakPolarHBondContact CG2-OH 3.28Å; L32-Y75 HydrophobicContact CB-CE2 4.49Å; L32-Y75 HydrophobicContact CD1-CD1 4.17Å; L32-Y75 HydrophobicContact CD1-CD2 3.64Å; L32-Y75 HydrophobicContact CD1-CE2 4.09Å; L32-Y75 HydrophobicContact CD1-CG 3.67Å; W35-Y75 HydrophobicContact CB-CD2 3.73Å; W35-Y75 HydrophobicContact CB-CE2 3.99Å; W35-Y75 AromaticContact CD1-CD2 3.92Å; W35-Y75 AromaticContact CD2-CD2 3.87Å; W35-Y75 HydrophobicContact CD2-CD2 3.87Å; W35-Y75 HydrophobicContact CE3-CD2 4.42Å; W35-Y75 AromaticContact CG-CD2 3.57Å; W35-Y75 HydrophobicContact CG-CD2 3.57Å; W35-Y75 HydrophobicContact CG-CE2 4.26Å; S73-Y75 PolarHBondContact O-N 2.88Å; S73-Y75 WeakPolarHBondContact OG-CB 3.43Å; S73-Y75 PolarHBondContact OG-N 3.14Å; Y75-W77 PolarHBondContact O-N 2.91Å; Y75-W77 VanDerWaalsContact O-N 3.11Å; Y75-N78 HydrophobicContact CD2-CB 3.86Å; Y75-N78 HydrophobicContact CE2-CB 3.74Å; Y75-N78 HydrophobicContact CG-CB 4.44Å; Y75-N78 WeakPolarHBondContact O-CB 3.41Å; Y75-N78 PolarHBondContact O-N 3.01Å
76D95.6Very high95.7Very high69 Ų6953.8 Ų53.837%0.36928%0.275SS..G310 helixtrans-54.6-31.7173.6-74.7-1.4000112.1T72 S73 S74 N78T72-D76 VanDerWaalsContact CB-OD1 3.32Å; T72-D76 WeakPolarHBondContact CB-OD1 3.47Å; T72-D76 WeakPolarHBondContact CB-OD2 3.29Å; T72-D76 WeakPolarHBondContact CG2-OD2 3.35Å; T72-D76 PolarHBondContact OG1-OD2 3.29Å; S73-D76 PolarHBondContact O-N 2.76Å; S74-D76 PolarHBondContact O-N 3.46Å; S74-D76 VanDerWaalsContact O-N 3.17Å; D76-N78 VanDerWaalsContact C-N 3.29Å; D76-N78 PolarHBondContact O-N 2.93Å
77W96.8Very high95.4Very high23 Ų2362.8 Ų62.89%0.08731%0.309CS..G310 helixtrans-82.2-4.2-178.4-53.9114.6000113.7L66 L67 S74 Y75 K79 I80 W81 I136 H138L66-W77 HydrophobicContact CB-CD2 4.04Å; L66-W77 HydrophobicContact CB-CG 3.96Å; L66-W77 HydrophobicContact CB-CZ2 4.4Å; L66-W77 HydrophobicContact CD1-CB 3.68Å; L66-W77 HydrophobicContact CD1-CD2 4.02Å; L66-W77 HydrophobicContact CD1-CG 3.62Å; L66-W77 HydrophobicContact CG-CD2 4.43Å; L66-W77 HydrophobicContact CG-CG 4.35Å; L67-W77 WeakPolarHBondContact O-CZ2 3.47Å; S74-W77 WeakPolarHBondContact O-CB 3.35Å; S74-W77 PolarHBondContact O-N 2.89Å; S74-W77 VanDerWaalsContact O-N 3.14Å; Y75-W77 PolarHBondContact O-N 2.91Å; Y75-W77 VanDerWaalsContact O-N 3.11Å; W77-K79 PolarHBondContact O-N 2.87Å; W77-K79 VanDerWaalsContact O-N 3.11Å; W77-I80 HydrophobicContact CB-CG1 4.46Å; W77-I80 HydrophobicContact CE3-CD1 3.45Å; W77-I80 VanDerWaalsContact CE3-CD1 3.45Å; W77-I80 HydrophobicContact CE3-CG1 4.01Å; W77-I80 HydrophobicContact CZ3-CD1 3.82Å; W77-I80 CarbonylContact O-C 3.57Å; W77-I80 WeakPolarHBondContact O-CG1 3.14Å; W77-I80 PolarHBondContact O-N 2.9Å; W77-W81 PolarHBondContact O-N 3Å; W77-I136 HydrophobicContact CH2-CG2 3.8Å; W77-I136 HydrophobicContact CZ3-CG2 4.11Å; W77-H138 HydrophobicContact CH2-CB 4.16Å; W77-H138 HydrophobicContact CZ2-CB 4.14Å
78N96.7Very high95.1Very high47 Ų4764.3 Ų64.325%0.25132%0.316SS..Hα-helixtrans-53.8-38.1-173.6173.573.6000113.6W35 Y75 D76 I80W35-N78 HydrophobicContact CE3-CB 3.9Å; W35-N78 VanDerWaalsContact CE3-OD1 3.29Å; W35-N78 HydrophobicContact CH2-CB 4.25Å; W35-N78 VanDerWaalsContact CZ3-CA 3.49Å; W35-N78 HydrophobicContact CZ3-CB 3.77Å; Y75-N78 HydrophobicContact CD2-CB 3.86Å; Y75-N78 HydrophobicContact CE2-CB 3.74Å; Y75-N78 HydrophobicContact CG-CB 4.44Å; Y75-N78 WeakPolarHBondContact O-CB 3.41Å; Y75-N78 PolarHBondContact O-N 3.01Å; D76-N78 VanDerWaalsContact C-N 3.29Å; D76-N78 PolarHBondContact O-N 2.93Å; N78-I80 VanDerWaalsContact C-N 3.32Å; N78-I80 PolarHBondContact O-N 2.9Å
79K95.8Very high94.9Very high189 Ų18967.6 Ų67.682%0.82233%0.331SS*.Hα-helixtrans-73.1-22.4-179.4-69.6-174.7179178.20114.1W77W77-K79 PolarHBondContact O-N 2.87Å; W77-K79 VanDerWaalsContact O-N 3.11Å
80I95.1Very high95Very high70 Ų7068.4 Ų68.436%0.35933%0.334SS..Hα-helixtrans-109.8-3.3-179.770166.6000112.9W77 N78 P83 L84W77-I80 HydrophobicContact CB-CG1 4.46Å; W77-I80 HydrophobicContact CE3-CD1 3.45Å; W77-I80 VanDerWaalsContact CE3-CD1 3.45Å; W77-I80 HydrophobicContact CE3-CG1 4.01Å; W77-I80 HydrophobicContact CZ3-CD1 3.82Å; W77-I80 CarbonylContact O-C 3.57Å; W77-I80 WeakPolarHBondContact O-CG1 3.14Å; W77-I80 PolarHBondContact O-N 2.9Å; N78-I80 VanDerWaalsContact C-N 3.32Å; N78-I80 PolarHBondContact O-N 2.9Å; I80-P83 WeakPolarHBondContact O-CD 3.5Å; I80-L84 HydrophobicContact CD1-CD1 3.78Å; I80-L84 HydrophobicContact CD1-CG 4.49Å; I80-L84 HydrophobicContact CG1-CD1 3.92Å; I80-L84 WeakPolarHBondContact O-CB 3.43Å; I80-L84 VanDerWaalsContact O-CG 3.25Å; I80-L84 WeakPolarHBondContact O-CG 3.39Å; I80-L84 PolarHBondContact O-N 2.79Å
81W96.5Very high95.2Very high4 Ų462.1 Ų62.12%0.01531%0.306CS..Hα-helixtrans-57.3-53.2-177.5-171.1-91.6000112.4W35 R52 S54 L66 W77 L84 A85 V91 A93W35-W81 HydrophobicContact CH2-CB 3.91Å; W35-W81 AromaticContact CH2-CD2 3.53Å; W35-W81 HydrophobicContact CH2-CD2 3.53Å; W35-W81 AromaticContact CH2-CE3 3.4Å; W35-W81 HydrophobicContact CH2-CE3 3.4Å; W35-W81 AromaticContact CH2-CG 3.78Å; W35-W81 HydrophobicContact CH2-CG 3.78Å; W35-W81 HydrophobicContact CH2-CZ3 4.12Å; W35-W81 HydrophobicContact CZ2-CD2 4.48Å; W35-W81 HydrophobicContact CZ2-CE3 4.07Å; W35-W81 HydrophobicContact CZ2-CZ3 4.37Å; W35-W81 HydrophobicContact CZ3-CB 3.85Å; W35-W81 AromaticContact CZ3-CD2 3.99Å; W35-W81 HydrophobicContact CZ3-CD2 3.99Å; W35-W81 HydrophobicContact CZ3-CE3 4.31Å; W35-W81 AromaticContact CZ3-CG 3.79Å; W35-W81 HydrophobicContact CZ3-CG 3.79Å; R52-W81 HydrophobicContact CB-CH2 3.36Å; R52-W81 HydrophobicContact CB-CZ2 3.73Å; R52-W81 HydrophobicContact CB-CZ3 4Å; S54-W81 WeakPolarHBondContact OG-CZ2 3.16Å; S54-W81 PolarHBondContact OG-NE1 2.94Å; S54-W81 VanDerWaalsContact OG-NE1 3.15Å; L66-W81 HydrophobicContact CD1-CE3 4.06Å; L66-W81 HydrophobicContact CD1-CZ3 4Å; W77-W81 PolarHBondContact O-N 3Å; W81-L84 PolarHBondContact O-N 2.89Å; W81-A85 WeakPolarHBondContact O-CB 3.22Å; W81-A85 PolarHBondContact O-N 3Å; W81-V91 HydrophobicContact CD2-CG1 4.29Å; W81-V91 HydrophobicContact CE3-CG1 3.87Å; W81-V91 HydrophobicContact CH2-CB 4.34Å; W81-V91 HydrophobicContact CH2-CG1 3.96Å; W81-V91 VanDerWaalsContact CH2-O 3.27Å; W81-V91 WeakPolarHBondContact CH2-O 3.45Å; W81-V91 HydrophobicContact CZ2-CB 4.37Å; W81-V91 HydrophobicContact CZ2-CG1 4.35Å; W81-V91 WeakPolarHBondContact CZ2-O 3.47Å; W81-V91 HydrophobicContact CZ3-CG1 3.71Å; W81-A93 HydrophobicContact CH2-CB 4.32Å; W81-A93 HydrophobicContact CZ3-CB 3.69Å
82D95.2Very high95.5Very high105 Ų10557.7 Ų57.756%0.56128%0.278SS*.Hα-helixtrans-65.7-45.7-178.2-63.7-19.8000112.3L84 A85 Q86D82-L84 VanDerWaalsContact C-N 3.3Å; D82-L84 PolarHBondContact O-N 2.8Å; D82-A85 PolarHBondContact O-N 2.87Å; D82-Q86 WeakPolarHBondContact O-CG 3.35Å; D82-Q86 PolarHBondContact O-N 3.05Å
83P94.6Very high95.7Very high76 Ų7655.6 Ų55.649%0.49427%0.265SS..Hα-helixtrans-56.1-39.1171.3-28.434.4000114.4I80 Q86 R87I80-P83 WeakPolarHBondContact O-CD 3.5Å; P83-Q86 PolarHBondContact O-N 2.87Å; P83-R87 PolarHBondContact O-N 3.31Å
84L93.8Very high95.7Very high22 Ų2254.8 Ų54.812%0.11526%0.259CS..Hα-helixtrans-67.4-44.5176-71.7173.7000111L66 I80 W81 D82 Q86 R87 F88 V91 I136L66-L84 HydrophobicContact CD1-CD1 3.87Å; L66-L84 HydrophobicContact CD2-CD1 3.98Å; I80-L84 HydrophobicContact CD1-CD1 3.78Å; I80-L84 HydrophobicContact CD1-CG 4.49Å; I80-L84 HydrophobicContact CG1-CD1 3.92Å; I80-L84 WeakPolarHBondContact O-CB 3.43Å; I80-L84 VanDerWaalsContact O-CG 3.25Å; I80-L84 WeakPolarHBondContact O-CG 3.39Å; I80-L84 PolarHBondContact O-N 2.79Å; W81-L84 PolarHBondContact O-N 2.89Å; D82-L84 VanDerWaalsContact C-N 3.3Å; D82-L84 PolarHBondContact O-N 2.8Å; L84-Q86 PolarHBondContact O-N 2.91Å; L84-R87 PolarHBondContact O-N 2.85Å; L84-F88 HydrophobicContact CB-CD2 4.41Å; L84-F88 HydrophobicContact CD2-CD2 3.99Å; L84-F88 HydrophobicContact CD2-CE2 3.67Å; L84-F88 WeakPolarHBondContact O-CD2 3.19Å; L84-F88 PolarHBondContact O-N 2.91Å; L84-V91 HydrophobicContact CB-CG1 4.19Å; L84-V91 HydrophobicContact CB-CG2 3.79Å; L84-V91 HydrophobicContact CD1-CG1 4.3Å; L84-I136 HydrophobicContact CD2-CD1 4.43Å
85A94.1Very high95.8Very high16 Ų1654.8 Ų54.813%0.13226%0.259CS..Hα-helixtrans-63.8-29.4178.600000112.2G56 A57 W81 D82 R87 V91G56-A85 CarbonylContact C-O 3.56Å; G56-A85 WeakPolarHBondContact CA-O 3.41Å; A57-A85 PolarHBondContact N-O 3.2Å; W81-A85 WeakPolarHBondContact O-CB 3.22Å; W81-A85 PolarHBondContact O-N 3Å; D82-A85 PolarHBondContact O-N 2.87Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 PolarHBondContact O-N 2.94Å; A85-V91 HydrophobicContact CB-CG2 4.27Å
86Q93.3Very high95.8Very high154 Ų15451.8 Ų51.872%0.7225%0.247SC*.Hα-helixtrans-71.8-18.1173.4-71.6173.413.100113.9A57 D82 P83 L84A57-Q86 WeakPolarHBondContact CB-O 3.43Å; D82-Q86 WeakPolarHBondContact O-CG 3.35Å; D82-Q86 PolarHBondContact O-N 3.05Å; P83-Q86 PolarHBondContact O-N 2.87Å; L84-Q86 PolarHBondContact O-N 2.91Å
87R90.9Very high95.9Very high189 Ų18948.5 Ų48.571%0.71323%0.229SC*.Hα-helixtrans-106-33.9-175.6-174.3172.8179.597.80.6113.5P83 L84 A85P83-R87 PolarHBondContact O-N 3.31Å; L84-R87 PolarHBondContact O-N 2.85Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 PolarHBondContact O-N 2.94Å
88F92.4Very high96Very high33 Ų3348.3 Ų48.315%0.14524%0.235CC..SBendtrans-111.7155.9-172.6-63.9-79.9000111.5G56 A57 D62 V64 L84 R90 V91G56-F88 CarbonylContact C-O 3.46Å; G56-F88 WeakPolarHBondContact CA-O 3.27Å; A57-F88 PolarHBondContact N-O 3.26Å; D62-F88 HydrophobicContact CB-CD1 3.77Å; D62-F88 HydrophobicContact CB-CE1 4.36Å; V64-F88 HydrophobicContact CG2-CB 3.88Å; V64-F88 HydrophobicContact CG2-CD1 3.44Å; V64-F88 VanDerWaalsContact CG2-CD1 3.44Å; V64-F88 HydrophobicContact CG2-CD2 3.42Å; V64-F88 VanDerWaalsContact CG2-CD2 3.42Å; V64-F88 HydrophobicContact CG2-CE1 3.7Å; V64-F88 HydrophobicContact CG2-CE2 3.69Å; V64-F88 HydrophobicContact CG2-CG 3.28Å; V64-F88 HydrophobicContact CG2-CZ 3.81Å; L84-F88 HydrophobicContact CB-CD2 4.41Å; L84-F88 HydrophobicContact CD2-CD2 3.99Å; L84-F88 HydrophobicContact CD2-CE2 3.67Å; L84-F88 WeakPolarHBondContact O-CD2 3.19Å; L84-F88 PolarHBondContact O-N 2.91Å; F88-R90 VanDerWaalsContact C-N 3.3Å; F88-R90 PolarHBondContact O-N 3.32Å; F88-V91 HydrophobicContact CB-CG2 4.38Å
89H93.9Very high96Very high69 Ų6947.6 Ų47.632%0.31923%0.229SC..SBendtrans-63.9-38.6178.8-176.357000112.3Y55 G56 S60 D62Y55-H89 CarbonylContact C-O 3.54Å; Y55-H89 WeakPolarHBondContact CA-O 3.48Å; G56-H89 PolarHBondContact N-O 3.37Å; S60-H89 VanDerWaalsContact O-CB 3.23Å; S60-H89 WeakPolarHBondContact O-CB 3.32Å; S60-H89 VanDerWaalsContact O-CG 3.3Å; S60-H89 PolarHBondContact O-ND1 3.32Å; D62-H89 VanDerWaalsContact O-CB 3.28Å; D62-H89 WeakPolarHBondContact O-CB 3.37Å; D62-H89 PolarHBondContact O-N 3.48Å
90R96.2Very high96.1Very high17 Ų1740 Ų406%0.06421%0.205CC..EExtended strand (participates in β ladder)trans-150135.4-175.4-164.3175.4-178.8-178.60.4109.9D53 S54 Y55 D62 V63 V64 F88 I92 L126D53-R90 WeakPolarHBondContact OD1-CG 3.33Å; D53-R90 IonicContact OD1-CZ 3.29Å; D53-R90 IonicContact OD1-NE 2.71Å; D53-R90 PolarHBondContact OD1-NE 2.56Å; D53-R90 IonicContact OD1-NH2 2.96Å; D53-R90 IonicContact OD2-CZ 3.69Å; D53-R90 IonicContact OD2-NE 2.82Å; D53-R90 PolarHBondContact OD2-NE 3.18Å; D53-R90 IonicContact OD2-NH2 3.71Å; D53-R90 PolarHBondContact OD2-NH2 3.46Å; S54-R90 CarbonylContact O-C 3.59Å; S54-R90 VanDerWaalsContact O-CA 3.3Å; S54-R90 WeakPolarHBondContact O-CA 3.42Å; Y55-R90 HydrophobicContact CD1-CG 4.35Å; Y55-R90 HydrophobicContact CE1-CG 4.29Å; Y55-R90 PolarHBondContact OH-NH2 2.91Å; D62-R90 PolarHBondContact O-N 3.19Å; V63-R90 WeakPolarHBondContact CA-O 3.47Å; V63-R90 HydrophobicContact CG1-CB 4.3Å; V63-R90 HydrophobicContact CG2-CB 4.19Å; V64-R90 PolarHBondContact N-O 2.94Å; F88-R90 VanDerWaalsContact C-N 3.3Å; F88-R90 PolarHBondContact O-N 3.32Å; R90-I92 HydrophobicContact CG-CD1 4.17Å; R90-I92 HydrophobicContact CG-CG1 4.15Å; R90-L126 PolarHBondContact NH1-O 2.67Å
91V97.6Very high96.2Very high0 Ų038.7 Ų38.70%020%0.197CC..EExtended strand (participates in β ladder)trans-122.3126.6176.7-173.90000108.5D53 S54 L66 W81 L84 A85 F88D53-V91 WeakPolarHBondContact CA-O 3.3Å; S54-V91 PolarHBondContact N-O 3.47Å; S54-V91 PolarHBondContact O-N 3.25Å; L66-V91 HydrophobicContact CD1-CG1 3.86Å; L66-V91 HydrophobicContact CG-CG1 4.39Å; W81-V91 HydrophobicContact CD2-CG1 4.29Å; W81-V91 HydrophobicContact CE3-CG1 3.87Å; W81-V91 HydrophobicContact CH2-CB 4.34Å; W81-V91 HydrophobicContact CH2-CG1 3.96Å; W81-V91 VanDerWaalsContact CH2-O 3.27Å; W81-V91 WeakPolarHBondContact CH2-O 3.45Å; W81-V91 HydrophobicContact CZ2-CB 4.37Å; W81-V91 HydrophobicContact CZ2-CG1 4.35Å; W81-V91 WeakPolarHBondContact CZ2-O 3.47Å; W81-V91 HydrophobicContact CZ3-CG1 3.71Å; L84-V91 HydrophobicContact CB-CG1 4.19Å; L84-V91 HydrophobicContact CB-CG2 3.79Å; L84-V91 HydrophobicContact CD1-CG1 4.3Å; A85-V91 HydrophobicContact CB-CG2 4.27Å; F88-V91 HydrophobicContact CB-CG2 4.38Å
92I98.5Very high96.3Very high4 Ų438.6 Ų38.62%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-128.1136.3-174.8-59.6158.1000108.7R52 V63 V64 L65 L66 R90 L122 L126 L128R52-I92 VanDerWaalsContact O-CA 3.27Å; R52-I92 WeakPolarHBondContact O-CA 3.48Å; V63-I92 HydrophobicContact CG1-CD1 3.78Å; V64-I92 PolarHBondContact O-N 2.82Å; L65-I92 CarbonylContact C-O 3.58Å; L65-I92 WeakPolarHBondContact CA-O 3.19Å; L65-I92 HydrophobicContact CD1-CB 4.01Å; L65-I92 HydrophobicContact CD1-CG2 3.72Å; L66-I92 PolarHBondContact N-O 3.44Å; R90-I92 HydrophobicContact CG-CD1 4.17Å; R90-I92 HydrophobicContact CG-CG1 4.15Å; I92-L122 HydrophobicContact CG2-CD2 4.1Å; I92-L126 HydrophobicContact CD1-CD1 3.71Å; I92-L126 HydrophobicContact CG1-CD1 4.17Å; I92-L126 HydrophobicContact CG2-CD1 3.97Å; I92-L128 HydrophobicContact CD1-CD1 3.3Å
93A98.6Very high96.5Very high0 Ų036.5 Ų36.50%019%0.185CC..EExtended strand (participates in β ladder)trans-136.5148.7166.300000108.8Y51 R52 L66 W81Y51-A93 CarbonylContact C-O 3.38Å; Y51-A93 WeakPolarHBondContact CA-O 3.19Å; Y51-A93 VanDerWaalsContact CB-O 3.3Å; Y51-A93 WeakPolarHBondContact CB-O 3.43Å; R52-A93 PolarHBondContact N-O 3.2Å; R52-A93 PolarHBondContact O-N 2.91Å; L66-A93 HydrophobicContact CB-CB 3.96Å; L66-A93 HydrophobicContact CD1-CB 4.45Å; W81-A93 HydrophobicContact CH2-CB 4.32Å; W81-A93 HydrophobicContact CZ3-CB 3.69Å
94L98.8Very high96.6Very high0 Ų037.3 Ų37.30%018%0.181CC..EExtended strand (participates in β ladder)trans-121.1157.3171.377.6168000110.9I49 F50 L67 H68 F96 I118 V119 L122I49-L94 HydrophobicContact CG2-CD1 4.28Å; F50-L94 WeakPolarHBondContact O-CA 3.39Å; L67-L94 HydrophobicContact CD2-CD2 3.47Å; L67-L94 VanDerWaalsContact CD2-CD2 3.47Å; H68-L94 PolarHBondContact CD2-O 2.87Å; H68-L94 VanDerWaalsContact CD2-O 3.25Å; L94-F96 HydrophobicContact CD1-CD1 4.44Å; L94-F96 HydrophobicContact CD2-CE1 4.4Å; L94-I118 HydrophobicContact CD1-CG2 3.74Å; L94-V119 HydrophobicContact CD1-CG2 3.95Å; L94-V119 HydrophobicContact CD2-CG2 4.07Å; L94-L122 HydrophobicContact CB-CD2 3.74Å; L94-L122 HydrophobicContact CD1-CD2 4.17Å; L94-L122 HydrophobicContact CG-CD2 4.39Å
95D98.8Very high96.8Very high0 Ų037.9 Ų37.90%019%0.186CC..PPolyproline II helixtrans-89.7122.3161.4-68-16.5000108.5F50 S73 S74 G100 F101 S102F50-D95 HydrophobicContact CB-CB 4.27Å; F50-D95 HydrophobicContact CD1-CB 4.39Å; F50-D95 WeakPolarHBondContact CD1-OD2 3.3Å; F50-D95 PolarHBondContact O-N 2.86Å; S73-D95 WeakPolarHBondContact CB-OD1 3.34Å; S74-D95 WeakPolarHBondContact CA-OD1 3.42Å; S74-D95 WeakPolarHBondContact CB-OD1 3.35Å; S74-D95 PolarHBondContact N-OD1 3.41Å; S74-D95 PolarHBondContact OG-OD1 3.01Å; D95-G100 WeakPolarHBondContact OD2-CA 3.38Å; D95-F101 PolarHBondContact OD2-N 3.07Å; D95-S102 WeakPolarHBondContact CB-OG 3.26Å; D95-S102 WeakPolarHBondContact O-CB 3.48Å; D95-S102 PolarHBondContact O-OG 2.92Å
96F98.7Very high96.7Very high0 Ų047.6 Ų47.60%022%0.219CC..PPolyproline II helixtrans-57.2151.8174.1-74.7-50000111.5L67 H68 L94 G98 F99 S102 Q115 V119 Y140 V144L67-F96 HydrophobicContact CB-CE2 4.32Å; L67-F96 HydrophobicContact CB-CZ 3.92Å; L67-F96 HydrophobicContact CD1-CZ 4.37Å; L67-F96 HydrophobicContact CD2-CE1 4.35Å; L67-F96 HydrophobicContact CD2-CZ 4.05Å; L67-F96 HydrophobicContact CG-CZ 4.33Å; H68-F96 AromaticContact CD2-CD2 3.87Å; H68-F96 AromaticContact CE1-CD2 3.63Å; H68-F96 AromaticContact NE2-CD2 3.47Å; H68-F96 WeakPolarHBondContact NE2-CD2 3.42Å; H68-F96 AromaticContact NE2-CG 3.79Å; H68-F96 PolarHBondContact NE2-N 2.68Å; H68-F96 VanDerWaalsContact O-CE2 3.23Å; H68-F96 WeakPolarHBondContact O-CE2 3.39Å; L94-F96 HydrophobicContact CD1-CD1 4.44Å; L94-F96 HydrophobicContact CD2-CE1 4.4Å; F96-G98 PolarHBondContact O-N 2.85Å; F96-F99 HydrophobicContact CB-CB 4.49Å; F96-F99 HydrophobicContact CB-CD2 3.6Å; F96-F99 HydrophobicContact CB-CE2 4.27Å; F96-F99 HydrophobicContact CB-CG 4.36Å; F96-F99 WeakPolarHBondContact O-CB 3.37Å; F96-F99 PolarHBondContact O-N 2.64Å; F96-S102 WeakPolarHBondContact O-CB 3.49Å; F96-Q115 HydrophobicContact CD1-CB 3.89Å; F96-Q115 HydrophobicContact CD1-CG 4.19Å; F96-Q115 HydrophobicContact CE1-CB 4.03Å; F96-V119 HydrophobicContact CE1-CG2 3.92Å; F96-Y140 AromaticContact CD2-CD1 3.84Å; F96-Y140 HydrophobicContact CD2-CD1 3.84Å; F96-Y140 HydrophobicContact CD2-CE1 4.01Å; F96-Y140 AromaticContact CE2-CD1 3.93Å; F96-Y140 HydrophobicContact CE2-CD1 3.93Å; F96-Y140 HydrophobicContact CE2-CE1 4.28Å; F96-Y140 HydrophobicContact CG-CE1 4.36Å; F96-V144 HydrophobicContact CE1-CB 4.42Å; F96-V144 HydrophobicContact CE1-CG1 3.99Å; F96-V144 HydrophobicContact CE1-CG2 4.2Å; F96-V144 HydrophobicContact CE2-CG2 4.4Å; F96-V144 HydrophobicContact CZ-CB 3.98Å; F96-V144 HydrophobicContact CZ-CG1 3.99Å; F96-V144 HydrophobicContact CZ-CG2 3.87Å
97L98.6Very high96.7Very high0 Ų046.7 Ų46.70%023%0.227CC..THydrogen-bonded Turntrans-58.6130.5175.7-176.474.7000109.2K47 I49 F99 D103 P105 H108 Y110 Q115 I118K47-L97 HydrophobicContact CB-CD1 3.92Å; K47-L97 HydrophobicContact CD-CD1 3.57Å; K47-L97 HydrophobicContact CD-CD2 3.46Å; K47-L97 VanDerWaalsContact CD-CD2 3.46Å; K47-L97 HydrophobicContact CD-CG 4.17Å; K47-L97 HydrophobicContact CG-CD1 4.32Å; I49-L97 HydrophobicContact CD1-CB 4.08Å; I49-L97 HydrophobicContact CD1-CD1 3.75Å; L97-F99 WeakPolarHBondContact O-CD2 3.35Å; L97-D103 HydrophobicContact CD1-CB 4.08Å; L97-D103 VanDerWaalsContact CD1-O 3.32Å; L97-D103 WeakPolarHBondContact CD1-O 3.25Å; L97-P105 HydrophobicContact CD1-CG 4.28Å; L97-P105 HydrophobicContact CD2-CG 4.23Å; L97-P105 HydrophobicContact CG-CG 4.41Å; L97-H108 WeakPolarHBondContact CD2-NE2 3.47Å; L97-Y110 HydrophobicContact CD2-CD1 4.49Å; L97-Y110 HydrophobicContact CD2-CE1 4.19Å; L97-Y110 HydrophobicContact CG-CE1 3.98Å; L97-Y110 WeakPolarHBondContact O-CD1 3.03Å; L97-Y110 WeakPolarHBondContact O-CE1 3.47Å; L97-Q115 PolarHBondContact O-NE2 2.86Å; L97-I118 HydrophobicContact CB-CD1 3.66Å; L97-I118 HydrophobicContact CD2-CD1 4.45Å
98G97.7Very high97Very high19 Ų1940.3 Ų40.320%0.19621%0.205CC..THydrogen-bonded Turntrans95.3-10.1-17300000114.5F96 D103 K104F96-G98 PolarHBondContact O-N 2.85Å; G98-D103 PolarHBondContact N-O 3.26Å; G98-K104 WeakPolarHBondContact O-CE 3.44Å
99F97.7Very high97.1Very high32 Ų3249.7 Ų49.714%0.1424%0.24CC..SBendtrans-121.3167.3-172.6-60.1-88.5000112.7H68 F70 F96 L97 F101 S102 K104H68-F99 AromaticContact CE1-CG 3.73Å; F70-F99 AromaticContact CD2-CE1 3.56Å; F70-F99 HydrophobicContact CD2-CE1 3.56Å; F70-F99 AromaticContact CD2-CZ 3.74Å; F70-F99 HydrophobicContact CD2-CZ 3.74Å; F70-F99 HydrophobicContact CE2-CE1 4.09Å; F70-F99 HydrophobicContact CE2-CZ 4.32Å; F70-F99 HydrophobicContact CG-CE1 4.49Å; F96-F99 HydrophobicContact CB-CB 4.49Å; F96-F99 HydrophobicContact CB-CD2 3.6Å; F96-F99 HydrophobicContact CB-CE2 4.27Å; F96-F99 HydrophobicContact CB-CG 4.36Å; F96-F99 WeakPolarHBondContact O-CB 3.37Å; F96-F99 PolarHBondContact O-N 2.64Å; L97-F99 WeakPolarHBondContact O-CD2 3.35Å; F99-F101 PolarHBondContact O-N 2.75Å; F99-S102 WeakPolarHBondContact O-CB 3.36Å; F99-S102 PolarHBondContact O-N 3.15Å; F99-S102 VanDerWaalsContact O-N 3.07Å; F99-K104 PolarHBondContact O-NZ 2.96Å
100G96.8Very high97.2Very high30 Ų3050.2 Ų50.231%0.30924%0.239SC..THydrogen-bonded Turntrans46.3-125173.100000114.6D95 K104D95-G100 WeakPolarHBondContact OD2-CA 3.38Å; G100-K104 PolarHBondContact O-NZ 2.58Å
101F98.1Very high97.3Very high43 Ų4351.4 Ų51.419%0.18925%0.25CS..THydrogen-bonded Turntrans-94.7-6.7176.2-57-66.1000113.7L28 L32 H36 F41 F50 D95 F99L28-F101 HydrophobicContact CD1-CE1 3.86Å; L28-F101 HydrophobicContact CD1-CZ 4.27Å; L28-F101 HydrophobicContact CD2-CE1 4.1Å; L28-F101 HydrophobicContact CD2-CZ 4.47Å; L32-F101 HydrophobicContact CD1-CE2 3.95Å; L32-F101 HydrophobicContact CD1-CZ 3.66Å; L32-F101 HydrophobicContact CD2-CZ 4.48Å; L32-F101 HydrophobicContact CG-CZ 3.84Å; H36-F101 HydrophobicContact CB-CD2 4.32Å; H36-F101 HydrophobicContact CB-CE1 4.13Å; H36-F101 HydrophobicContact CB-CE2 3.77Å; H36-F101 HydrophobicContact CB-CZ 3.66Å; H36-F101 AromaticContact CD2-CD1 3.49Å; H36-F101 VanDerWaalsContact CD2-CD1 3.49Å; H36-F101 WeakPolarHBondContact CD2-CD1 3.48Å; H36-F101 AromaticContact CD2-CD2 3.68Å; H36-F101 AromaticContact CD2-CE1 3.83Å; H36-F101 AromaticContact CD2-CE2 3.99Å; H36-F101 AromaticContact CD2-CG 3.4Å; H36-F101 VanDerWaalsContact CD2-CG 3.4Å; H36-F101 WeakPolarHBondContact CD2-CG 3.33Å; F41-F101 HydrophobicContact CE1-CB 4.43Å; F41-F101 HydrophobicContact CZ-CB 4.33Å; F50-F101 HydrophobicContact CB-CB 3.72Å; F50-F101 HydrophobicContact CD1-CB 4.18Å; F50-F101 AromaticContact CD1-CD2 3.88Å; F50-F101 HydrophobicContact CD1-CD2 3.88Å; F50-F101 HydrophobicContact CD2-CB 3.96Å; F50-F101 HydrophobicContact CD2-CD2 4.34Å; F50-F101 AromaticContact CE1-CD2 3.79Å; F50-F101 HydrophobicContact CE1-CD2 3.79Å; F50-F101 HydrophobicContact CE1-CE2 4.47Å; F50-F101 HydrophobicContact CE2-CD2 4.26Å; F50-F101 HydrophobicContact CG-CB 3.69Å; F50-F101 HydrophobicContact CG-CD2 4.15Å; F50-F101 HydrophobicContact CG-CG 4.39Å; F50-F101 AromaticContact CZ-CD2 3.98Å; F50-F101 HydrophobicContact CZ-CD2 3.98Å; D95-F101 PolarHBondContact OD2-N 3.07Å; F99-F101 PolarHBondContact O-N 2.75Å
102S98.7Very high97.2Very high2 Ų253.2 Ų53.21%0.01426%0.259CS..SBendtrans-65.8156.6172-72.20000112.2I49 F50 D95 F96 F99 K104I49-S102 WeakPolarHBondContact CA-OG 3.36Å; F50-S102 PolarHBondContact N-OG 3Å; D95-S102 WeakPolarHBondContact CB-OG 3.26Å; D95-S102 WeakPolarHBondContact O-CB 3.48Å; D95-S102 PolarHBondContact O-OG 2.92Å; F96-S102 WeakPolarHBondContact O-CB 3.49Å; F99-S102 WeakPolarHBondContact O-CB 3.36Å; F99-S102 PolarHBondContact O-N 3.15Å; F99-S102 VanDerWaalsContact O-N 3.07Å; S102-K104 PolarHBondContact O-NZ 2.88Å
103D98.4Very high97.1Very high60 Ų6059 Ų5932%0.32129%0.285SS..  trans-56.2147.9177.5-81.3-10.3000112.1K48 L97 G98 P105K48-D103 PolarHBondContact N-OD2 2.93Å; K48-D103 PolarHBondContact O-N 3.16Å; L97-D103 HydrophobicContact CD1-CB 4.08Å; L97-D103 VanDerWaalsContact CD1-O 3.32Å; L97-D103 WeakPolarHBondContact CD1-O 3.25Å; G98-D103 PolarHBondContact N-O 3.26Å; D103-P105 VanDerWaalsContact C-CD 3.42Å; D103-P105 WeakPolarHBondContact O-CD 3.44Å
104K97.4Very high97.1Very high94 Ų9460.3 Ų60.341%0.40929%0.291SS..  trans-125.462.4-178.9-52.8-176.5176.651.90110.7G98 F99 G100 S102G98-K104 WeakPolarHBondContact O-CE 3.44Å; F99-K104 PolarHBondContact O-NZ 2.96Å; G100-K104 PolarHBondContact O-NZ 2.58Å; S102-K104 PolarHBondContact O-NZ 2.88Å
105P96.6Very high97Very high34 Ų3460.3 Ų60.322%0.22129%0.291CS..  trans-58.9141-174.926.3-35.6000111.5K47 L97 D103 H108 Y110K47-P105 HydrophobicContact CD-CG 4.34Å; L97-P105 HydrophobicContact CD1-CG 4.28Å; L97-P105 HydrophobicContact CD2-CG 4.23Å; L97-P105 HydrophobicContact CG-CG 4.41Å; D103-P105 VanDerWaalsContact C-CD 3.42Å; D103-P105 WeakPolarHBondContact O-CD 3.44Å; P105-H108 HydrophobicContact CB-CB 3.98Å; P105-H108 HydrophobicContact CG-CB 3.81Å; P105-H108 WeakPolarHBondContact O-CB 3.22Å; P105-Y110 WeakPolarHBondContact CD-OH 3.17Å; P105-Y110 PolarHBondContact O-OH 2.73Å
106R92.6Very high97Very high219 Ų21960.3 Ų60.383%0.82629%0.291SS*.SBendtrans-143.3132175.6-64.1-178.4-176.5-177.1-0.1109.4
107P94Very high96.9Very high136 Ų13661.5 Ų61.588%0.88330%0.299SS*.SBendcis-68.7141.4-7.931-34.4000111.2
108H96Very high96.9Very high55 Ų5561.5 Ų61.526%0.25530%0.299SS..  trans-152.1139.3175.9-170.474.5000110.4L97 P105 Y110 E114L97-H108 WeakPolarHBondContact CD2-NE2 3.47Å; P105-H108 HydrophobicContact CB-CB 3.98Å; P105-H108 HydrophobicContact CG-CB 3.81Å; P105-H108 WeakPolarHBondContact O-CB 3.22Å; H108-Y110 HydrophobicContact CB-CE2 4.02Å; H108-Y110 AromaticContact CD2-CD1 3.83Å; H108-Y110 AromaticContact CD2-CE1 3.77Å; H108-Y110 AromaticContact CD2-CE2 3.96Å; H108-Y110 AromaticContact CD2-CG 3.97Å; H108-Y110 AromaticContact CD2-CZ 3.82Å; H108-E114 IonicContact CD2-OE2 3.78Å; H108-E114 IonicContact CE1-OE1 3.21Å; H108-E114 PolarHBondContact CE1-OE1 3.4Å; H108-E114 IonicContact CE1-OE2 3.65Å; H108-E114 VanDerWaalsContact NE2-CD 3.34Å; H108-E114 IonicContact NE2-OE1 3.14Å; H108-E114 PolarHBondContact NE2-OE1 3.21Å; H108-E114 VanDerWaalsContact NE2-OE1 3.14Å; H108-E114 IonicContact NE2-OE2 2.76Å; H108-E114 PolarHBondContact NE2-OE2 3.35Å
109R95.9Very high96.9Very high229 Ų22960.6 Ų60.686%0.86429%0.29SS*.  trans-97.798.2176.8-174.3-179.2178.5-152.5-0.2109.4
110Y96.1Very high96.9Very high81 Ų8160.2 Ų60.232%0.31829%0.288SS..  trans-68.7138.5175.8-61.4-89.7000110.8L97 P105 H108L97-Y110 HydrophobicContact CD2-CD1 4.49Å; L97-Y110 HydrophobicContact CD2-CE1 4.19Å; L97-Y110 HydrophobicContact CG-CE1 3.98Å; L97-Y110 WeakPolarHBondContact O-CD1 3.03Å; L97-Y110 WeakPolarHBondContact O-CE1 3.47Å; P105-Y110 WeakPolarHBondContact CD-OH 3.17Å; P105-Y110 PolarHBondContact O-OH 2.73Å; H108-Y110 HydrophobicContact CB-CE2 4.02Å; H108-Y110 AromaticContact CD2-CD1 3.83Å; H108-Y110 AromaticContact CD2-CE1 3.77Å; H108-Y110 AromaticContact CD2-CE2 3.96Å; H108-Y110 AromaticContact CD2-CG 3.97Å; H108-Y110 AromaticContact CD2-CZ 3.82Å
111S97.1Very high96.9Very high41 Ų4160.1 Ų60.129%0.28729%0.285SS..  trans-147.7151.4177.369.40000111.7F113 E114 Q115S111-F113 PolarHBondContact O-N 3.25Å; S111-E114 PolarHBondContact O-N 2.96Å; S111-E114 VanDerWaalsContact O-N 3.17Å; S111-E114 WeakPolarHBondContact OG-CB 3.49Å; S111-E114 PolarHBondContact OG-N 3.13Å; S111-Q115 WeakPolarHBondContact O-CG 3.08Å; S111-Q115 PolarHBondContact O-N 3.11Å
112I96.9Very high96.9Very high38 Ų3858.1 Ų58.120%0.19528%0.276CS..Hα-helixtrans-56.1-41.3174.3-61.4-63.1000110.9E114 Q115 A116 Y140 T143 V144 E147I112-E114 VanDerWaalsContact C-N 3.29Å; I112-E114 PolarHBondContact O-N 3.29Å; I112-Q115 PolarHBondContact O-N 3.2Å; I112-Q115 VanDerWaalsContact O-N 3.15Å; I112-A116 PolarHBondContact O-N 3.28Å; I112-Y140 HydrophobicContact CD1-CD2 4.02Å; I112-Y140 HydrophobicContact CD1-CE1 4.36Å; I112-Y140 HydrophobicContact CD1-CE2 3.38Å; I112-T143 HydrophobicContact CD1-CG2 3.69Å; I112-T143 HydrophobicContact CG1-CG2 3.77Å; I112-T143 HydrophobicContact CG2-CG2 4.07Å; I112-V144 HydrophobicContact CD1-CG2 4.07Å; I112-V144 HydrophobicContact CG2-CG2 4.31Å; I112-E147 HydrophobicContact CG2-CB 3.81Å; I112-E147 HydrophobicContact CG2-CG 4.19Å
113F96.4Very high96.8Very high126 Ų12658.2 Ų58.255%0.55328%0.277SS*.Hα-helixtrans-59.1-38.2179.3-58-70.9000113.2S111 S117 E147 R151S111-F113 PolarHBondContact O-N 3.25Å; F113-S117 PolarHBondContact O-N 3.26Å; F113-S117 VanDerWaalsContact O-N 3.13Å; F113-S117 PolarHBondContact O-OG 2.98Å; F113-E147 HydrophobicContact CD1-CG 4.37Å; F113-E147 WeakPolarHBondContact CD1-OE1 3.34Å; F113-R151 PolarHBondContact O-NH2 2.9Å
114E97.5Very high96.6Very high27 Ų2758.7 Ų58.713%0.12629%0.289CS..Hα-helixtrans-69.1-44.4175.9-176.6178.5-135.200110.9F44 H108 S111 I112 A116 S117 I118F44-E114 HydrophobicContact CE1-CG 4.46Å; H108-E114 IonicContact CD2-OE2 3.78Å; H108-E114 IonicContact CE1-OE1 3.21Å; H108-E114 PolarHBondContact CE1-OE1 3.4Å; H108-E114 IonicContact CE1-OE2 3.65Å; H108-E114 VanDerWaalsContact NE2-CD 3.34Å; H108-E114 IonicContact NE2-OE1 3.14Å; H108-E114 PolarHBondContact NE2-OE1 3.21Å; H108-E114 VanDerWaalsContact NE2-OE1 3.14Å; H108-E114 IonicContact NE2-OE2 2.76Å; H108-E114 PolarHBondContact NE2-OE2 3.35Å; S111-E114 PolarHBondContact O-N 2.96Å; S111-E114 VanDerWaalsContact O-N 3.17Å; S111-E114 WeakPolarHBondContact OG-CB 3.49Å; S111-E114 PolarHBondContact OG-N 3.13Å; I112-E114 VanDerWaalsContact C-N 3.29Å; I112-E114 PolarHBondContact O-N 3.29Å; E114-A116 PolarHBondContact O-N 3.48Å; E114-S117 WeakPolarHBondContact O-CB 3.46Å; E114-S117 PolarHBondContact O-N 3.46Å; E114-S117 VanDerWaalsContact O-N 3.15Å; E114-I118 HydrophobicContact CG-CD1 4.12Å; E114-I118 WeakPolarHBondContact O-CG1 3.39Å; E114-I118 PolarHBondContact O-N 3.47Å
115Q98.1Very high96.6Very high0 Ų059.4 Ų59.40%029%0.293CS..Hα-helixtrans-63.3-41.7178.5-58.2-63.4-2.700112.1F96 L97 S111 I112 S117 I118 V119 Y140 V144F96-Q115 HydrophobicContact CD1-CB 3.89Å; F96-Q115 HydrophobicContact CD1-CG 4.19Å; F96-Q115 HydrophobicContact CE1-CB 4.03Å; L97-Q115 PolarHBondContact O-NE2 2.86Å; S111-Q115 WeakPolarHBondContact O-CG 3.08Å; S111-Q115 PolarHBondContact O-N 3.11Å; I112-Q115 PolarHBondContact O-N 3.2Å; I112-Q115 VanDerWaalsContact O-N 3.15Å; Q115-S117 VanDerWaalsContact C-N 3.32Å; Q115-S117 PolarHBondContact O-N 3.41Å; Q115-I118 WeakPolarHBondContact O-CB 3.44Å; Q115-I118 PolarHBondContact O-N 3.21Å; Q115-V119 WeakPolarHBondContact O-CG2 3.44Å; Q115-V119 PolarHBondContact O-N 3.15Å; Q115-Y140 HydrophobicContact CG-CE1 3.96Å; Q115-Y140 WeakPolarHBondContact CG-OH 3.4Å; Q115-V144 HydrophobicContact CB-CG1 4.22Å; Q115-V144 HydrophobicContact CB-CG2 3.78Å
116A97.5Very high96.6Very high0 Ų058.8 Ų58.80%029%0.288CS..Hα-helixtrans-59.8-43172.900000111.5I112 E114 I118 V119 E120 V144 E147 L148I112-A116 PolarHBondContact O-N 3.28Å; E114-A116 PolarHBondContact O-N 3.48Å; A116-I118 VanDerWaalsContact C-N 3.3Å; A116-I118 PolarHBondContact O-N 3.25Å; A116-V119 PolarHBondContact O-N 2.83Å; A116-V119 VanDerWaalsContact O-N 3.16Å; A116-E120 PolarHBondContact O-N 3.33Å; A116-V144 HydrophobicContact CB-CG1 4.25Å; A116-E147 HydrophobicContact CB-CB 4.33Å; A116-E147 HydrophobicContact CB-CG 3.61Å; A116-L148 HydrophobicContact CB-CD2 3.78Å; A116-L148 HydrophobicContact CB-CG 4.05Å; A116-L148 WeakPolarHBondContact O-CD2 3.27Å
117S97.3Very high96.7Very high26 Ų2651.4 Ų51.418%0.18228%0.28CS..Hα-helixtrans-65.2-33.6177-51.60000112.8F113 E114 Q115 A121 R151F113-S117 PolarHBondContact O-N 3.26Å; F113-S117 VanDerWaalsContact O-N 3.13Å; F113-S117 PolarHBondContact O-OG 2.98Å; E114-S117 WeakPolarHBondContact O-CB 3.46Å; E114-S117 PolarHBondContact O-N 3.46Å; E114-S117 VanDerWaalsContact O-N 3.15Å; Q115-S117 VanDerWaalsContact C-N 3.32Å; Q115-S117 PolarHBondContact O-N 3.41Å; S117-A121 VanDerWaalsContact O-CB 3.27Å; S117-A121 WeakPolarHBondContact O-CB 3.45Å; S117-A121 PolarHBondContact O-N 2.99Å; S117-R151 PolarHBondContact OG-NH1 3Å
118I98.1Very high96.6Very high0 Ų045.4 Ų45.40%024%0.241CC..Hα-helixtrans-65.3-43.7173.4-72164000110.2F42 F44 I49 L94 L97 E114 Q115 A116 A121 L122F42-I118 HydrophobicContact CE1-CG2 4.46Å; F42-I118 HydrophobicContact CZ-CG2 3.96Å; F44-I118 HydrophobicContact CB-CG1 4.36Å; F44-I118 HydrophobicContact CD1-CD1 4.11Å; F44-I118 HydrophobicContact CD1-CG1 3.35Å; F44-I118 HydrophobicContact CD2-CG1 4.34Å; F44-I118 HydrophobicContact CE1-CD1 4.34Å; F44-I118 HydrophobicContact CE1-CG1 3.54Å; F44-I118 HydrophobicContact CE2-CG1 4.49Å; F44-I118 HydrophobicContact CG-CG1 3.77Å; F44-I118 HydrophobicContact CZ-CG1 4.12Å; I49-I118 HydrophobicContact CD1-CD1 4.16Å; I49-I118 HydrophobicContact CD1-CG2 4.31Å; I49-I118 HydrophobicContact CG1-CG2 4.05Å; I49-I118 HydrophobicContact CG2-CG2 3.91Å; L94-I118 HydrophobicContact CD1-CG2 3.74Å; L97-I118 HydrophobicContact CB-CD1 3.66Å; L97-I118 HydrophobicContact CD2-CD1 4.45Å; E114-I118 HydrophobicContact CG-CD1 4.12Å; E114-I118 WeakPolarHBondContact O-CG1 3.39Å; E114-I118 PolarHBondContact O-N 3.47Å; Q115-I118 WeakPolarHBondContact O-CB 3.44Å; Q115-I118 PolarHBondContact O-N 3.21Å; A116-I118 VanDerWaalsContact C-N 3.3Å; A116-I118 PolarHBondContact O-N 3.25Å; I118-A121 PolarHBondContact O-N 3.25Å; I118-L122 PolarHBondContact O-N 2.86Å
119V98Very high96.2Very high0 Ų044.5 Ų44.50%025%0.246CC..Hα-helixtrans-62.3-48.5177.7172.90000111.1L65 L67 L94 F96 Q115 A116 A121 L122 V123 V144 L148 L160L65-V119 HydrophobicContact CD2-CG1 3.61Å; L67-V119 HydrophobicContact CD2-CG1 4.48Å; L67-V119 HydrophobicContact CD2-CG2 3.83Å; L94-V119 HydrophobicContact CD1-CG2 3.95Å; L94-V119 HydrophobicContact CD2-CG2 4.07Å; F96-V119 HydrophobicContact CE1-CG2 3.92Å; Q115-V119 WeakPolarHBondContact O-CG2 3.44Å; Q115-V119 PolarHBondContact O-N 3.15Å; A116-V119 PolarHBondContact O-N 2.83Å; A116-V119 VanDerWaalsContact O-N 3.16Å; V119-A121 VanDerWaalsContact C-N 3.29Å; V119-A121 PolarHBondContact O-N 2.69Å; V119-L122 PolarHBondContact O-N 3.2Å; V119-V123 WeakPolarHBondContact O-CG2 3.5Å; V119-V123 PolarHBondContact O-N 3.11Å; V119-V144 HydrophobicContact CG2-CG1 4.31Å; V119-L148 HydrophobicContact CB-CD1 4.01Å; V119-L148 HydrophobicContact CB-CD2 4.35Å; V119-L148 HydrophobicContact CG1-CD1 3.6Å; V119-L148 HydrophobicContact CG1-CD2 4.38Å; V119-L148 HydrophobicContact CG2-CD1 4.43Å; V119-L160 HydrophobicContact CG1-CD1 4.19Å
120E96.9Very high95.8Very high23 Ų2341.1 Ų41.111%0.10725%0.245CC..Hα-helixtrans-56.2-44.3174.6-72.6164.3179.400111.7A116 V123 A124 L148 R151 L160A116-E120 PolarHBondContact O-N 3.33Å; E120-V123 PolarHBondContact O-N 3.47Å; E120-A124 WeakPolarHBondContact O-CB 3.47Å; E120-A124 PolarHBondContact O-N 2.82Å; E120-L148 HydrophobicContact CG-CD2 3.73Å; E120-R151 WeakPolarHBondContact OE1-CD 3.5Å; E120-R151 IonicContact OE1-CZ 2.65Å; E120-R151 IonicContact OE1-NE 3.38Å; E120-R151 IonicContact OE1-NH1 3.23Å; E120-R151 PolarHBondContact OE1-NH1 2.83Å; E120-R151 IonicContact OE2-NH1 3Å; E120-R151 PolarHBondContact OE2-NH1 3.32Å; E120-L160 HydrophobicContact CG-CD1 4.32Å; E120-L160 HydrophobicContact CG-CG 4.27Å
121A97.1Very high95.4Very high29 Ų2941.1 Ų41.124%0.2425%0.248CC..Hα-helixtrans-66.3-36.9178.500000112.7F42 F44 S117 I118 V119 A124 H125F42-A121 HydrophobicContact CE2-CB 4.11Å; F44-A121 HydrophobicContact CD2-CB 3.47Å; F44-A121 VanDerWaalsContact CD2-CB 3.47Å; F44-A121 HydrophobicContact CE2-CB 3.73Å; S117-A121 VanDerWaalsContact O-CB 3.27Å; S117-A121 WeakPolarHBondContact O-CB 3.45Å; S117-A121 PolarHBondContact O-N 2.99Å; I118-A121 PolarHBondContact O-N 3.25Å; V119-A121 VanDerWaalsContact C-N 3.29Å; V119-A121 PolarHBondContact O-N 2.69Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-H125 WeakPolarHBondContact O-CB 3.01Å; A121-H125 PolarHBondContact O-N 3.29Å
122L98.1Very high95Very high1 Ų146.5 Ų46.51%0.00526%0.262CS..Hα-helixtrans-64.1-47.6173.6178.562.6000110.7F42 Y51 I92 L94 I118 V119 A124 H125 L126F42-L122 HydrophobicContact CD1-CD1 3.59Å; F42-L122 HydrophobicContact CE1-CB 3.74Å; F42-L122 HydrophobicContact CE1-CD1 3.61Å; F42-L122 HydrophobicContact CE1-CD2 4.45Å; F42-L122 HydrophobicContact CE1-CG 4.12Å; F42-L122 HydrophobicContact CE2-CB 4.39Å; F42-L122 HydrophobicContact CG-CD1 4.23Å; F42-L122 HydrophobicContact CZ-CB 3.68Å; F42-L122 HydrophobicContact CZ-CD1 4.29Å; Y51-L122 HydrophobicContact CD1-CD1 3.88Å; Y51-L122 HydrophobicContact CD2-CD1 4.11Å; Y51-L122 HydrophobicContact CE1-CD1 4.27Å; Y51-L122 HydrophobicContact CG-CD1 3.79Å; I92-L122 HydrophobicContact CG2-CD2 4.1Å; L94-L122 HydrophobicContact CB-CD2 3.74Å; L94-L122 HydrophobicContact CD1-CD2 4.17Å; L94-L122 HydrophobicContact CG-CD2 4.39Å; I118-L122 PolarHBondContact O-N 2.86Å; V119-L122 PolarHBondContact O-N 3.2Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 2.87Å; L122-H125 WeakPolarHBondContact O-CB 3.32Å; L122-H125 PolarHBondContact O-N 3.04Å; L122-H125 VanDerWaalsContact O-N 3.16Å; L122-L126 HydrophobicContact CD1-CD1 3.85Å; L122-L126 HydrophobicContact CD1-CD2 4.43Å; L122-L126 HydrophobicContact CD1-CG 3.95Å; L122-L126 HydrophobicContact CG-CD1 3.96Å; L122-L126 HydrophobicContact CG-CG 4.37Å; L122-L126 WeakPolarHBondContact O-CB 3.15Å; L122-L126 VanDerWaalsContact O-CG 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.23Å; L122-L126 PolarHBondContact O-N 2.89Å
123V96.4Very high94.8Very high4 Ų444.7 Ų44.72%0.02425%0.253CS..Hα-helixtrans-58.8-44177.9174.20000110.6L65 V119 E120 L126 G127 L128 L133 L160L65-V123 HydrophobicContact CD2-CG2 4.17Å; V119-V123 WeakPolarHBondContact O-CG2 3.5Å; V119-V123 PolarHBondContact O-N 3.11Å; E120-V123 PolarHBondContact O-N 3.47Å; V123-L126 PolarHBondContact O-N 3.32Å; V123-G127 PolarHBondContact O-N 3.31Å; V123-L128 HydrophobicContact CG1-CB 3.59Å; V123-L128 WeakPolarHBondContact O-CB 3.46Å; V123-L128 PolarHBondContact O-N 2.92Å; V123-L133 HydrophobicContact CG1-CD1 3.99Å; V123-L133 HydrophobicContact CG2-CD1 3.86Å; V123-L160 HydrophobicContact CB-CD2 3.65Å; V123-L160 HydrophobicContact CG1-CD2 3.53Å; V123-L160 HydrophobicContact CG2-CD1 4.47Å; V123-L160 HydrophobicContact CG2-CD2 3.72Å
124A95.4Very high94.7Very high69 Ų6939.3 Ų39.357%0.5723%0.23SC*.Hα-helixtrans-63.1-44.8175.500000112E120 A121 L122 L126 G127E120-A124 WeakPolarHBondContact O-CB 3.47Å; E120-A124 PolarHBondContact O-N 2.82Å; A121-A124 PolarHBondContact O-N 2.97Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 2.87Å; A124-L126 VanDerWaalsContact C-N 3.27Å; A124-L126 PolarHBondContact O-N 3.13Å; A124-G127 PolarHBondContact O-N 3.28Å
125H96.8Very high94.6Very high109 Ų10938 Ų3851%0.50522%0.224SC..Hα-helixtrans-58.4-38.2177.3175.568.2000112.3F42 A121 L122 G127F42-H125 HydrophobicContact CD2-CB 4.39Å; A121-H125 WeakPolarHBondContact O-CB 3.01Å; A121-H125 PolarHBondContact O-N 3.29Å; L122-H125 WeakPolarHBondContact O-CB 3.32Å; L122-H125 PolarHBondContact O-N 3.04Å; L122-H125 VanDerWaalsContact O-N 3.16Å; H125-G127 VanDerWaalsContact C-N 3.25Å; H125-G127 PolarHBondContact O-N 2.72Å
126L96.5Very high94.5Very high22 Ų2239.7 Ų39.712%0.11523%0.232CC..THydrogen-bonded Turntrans-822.2179-63.7-179.9000114Y51 R90 I92 L122 V123 A124 L128Y51-L126 HydrophobicContact CE2-CD1 4.47Å; Y51-L126 HydrophobicContact CE2-CD2 3.72Å; R90-L126 PolarHBondContact NH1-O 2.67Å; I92-L126 HydrophobicContact CD1-CD1 3.71Å; I92-L126 HydrophobicContact CG1-CD1 4.17Å; I92-L126 HydrophobicContact CG2-CD1 3.97Å; L122-L126 HydrophobicContact CD1-CD1 3.85Å; L122-L126 HydrophobicContact CD1-CD2 4.43Å; L122-L126 HydrophobicContact CD1-CG 3.95Å; L122-L126 HydrophobicContact CG-CD1 3.96Å; L122-L126 HydrophobicContact CG-CG 4.37Å; L122-L126 WeakPolarHBondContact O-CB 3.15Å; L122-L126 VanDerWaalsContact O-CG 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.23Å; L122-L126 PolarHBondContact O-N 2.89Å; V123-L126 PolarHBondContact O-N 3.32Å; A124-L126 VanDerWaalsContact C-N 3.27Å; A124-L126 PolarHBondContact O-N 3.13Å; L126-L128 VanDerWaalsContact C-N 3.35Å; L126-L128 HydrophobicContact CB-CD1 3.76Å; L126-L128 HydrophobicContact CB-CG 3.98Å; L126-L128 HydrophobicContact CD1-CD1 4.22Å
127G94.8Very high94.4Very high64 Ų6439.7 Ų39.766%0.6623%0.232SC*.THydrogen-bonded Turntrans7323.7179.300000114.2V123 A124 H125V123-G127 PolarHBondContact O-N 3.31Å; A124-G127 PolarHBondContact O-N 3.28Å; H125-G127 VanDerWaalsContact C-N 3.25Å; H125-G127 PolarHBondContact O-N 2.72Å
128L92.8Very high94.2Very high10 Ų1040.7 Ų40.75%0.05223%0.234CC..  trans-100.48.6-169.9-65.1172.9000114.1V63 I92 V123 L126 N130 Q131V63-L128 HydrophobicContact CG1-CD1 4.18Å; V63-L128 HydrophobicContact CG2-CD2 4.14Å; I92-L128 HydrophobicContact CD1-CD1 3.3Å; V123-L128 HydrophobicContact CG1-CB 3.59Å; V123-L128 WeakPolarHBondContact O-CB 3.46Å; V123-L128 PolarHBondContact O-N 2.92Å; L126-L128 VanDerWaalsContact C-N 3.35Å; L126-L128 HydrophobicContact CB-CD1 3.76Å; L126-L128 HydrophobicContact CB-CG 3.98Å; L126-L128 HydrophobicContact CD1-CD1 4.22Å; L128-N130 PolarHBondContact O-N 2.95Å; L128-Q131 HydrophobicContact CB-CB 4.44Å; L128-Q131 HydrophobicContact CD2-CB 4.19Å; L128-Q131 HydrophobicContact CD2-CG 3.76Å; L128-Q131 WeakPolarHBondContact O-CB 3.38Å; L128-Q131 PolarHBondContact O-N 3.36Å
129G86.7Confident94Very high35 Ų3543.4 Ų43.436%0.36125%0.249SC..THydrogen-bonded Turntrans-59.7-21.7-173.800000115.7
130N86.4Confident93.9Very high158 Ų15845.6 Ų45.685%0.84526%0.257SS*.THydrogen-bonded Turntrans-105-0.1176.6-64.6-34.2000113.3L128L128-N130 PolarHBondContact O-N 2.95Å
131Q88.4Confident93.8Very high82 Ų8244.5 Ų44.538%0.38325%0.252SS..SBendtrans-86.6145.6-178.3-65.9-62.1-28.800110.6V63 L128 L133V63-Q131 HydrophobicContact CG2-CB 4.49Å; L128-Q131 HydrophobicContact CB-CB 4.44Å; L128-Q131 HydrophobicContact CD2-CB 4.19Å; L128-Q131 HydrophobicContact CD2-CG 3.76Å; L128-Q131 WeakPolarHBondContact O-CB 3.38Å; L128-Q131 PolarHBondContact O-N 3.36Å; Q131-L133 HydrophobicContact CB-CD2 4.45Å
132R88.2Confident93.8Very high153 Ų15343.4 Ų43.458%0.57724%0.242SC*.EExtended strand (participates in β ladder)trans-78.8124170.7-65.5-173178.8-175.3-0.5109.5N161 N163R132-N161 CarbonylContact C-O 3.53Å; R132-N161 WeakPolarHBondContact CA-O 3.41Å; R132-N163 HydrophobicContact CB-CB 4.12Å
133L93.3Very high93.6Very high1 Ų146.8 Ų46.81%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-104.8135.2-175.6-54.8-178.5000110.8V63 V123 Q131 L160 N161 F162 N163V63-L133 HydrophobicContact CB-CD2 3.8Å; V63-L133 HydrophobicContact CG1-CD2 3.72Å; V123-L133 HydrophobicContact CG1-CD1 3.99Å; V123-L133 HydrophobicContact CG2-CD1 3.86Å; Q131-L133 HydrophobicContact CB-CD2 4.45Å; L133-L160 HydrophobicContact CD1-CB 4.47Å; L133-L160 HydrophobicContact CD1-CD2 4.13Å; L133-N161 PolarHBondContact N-O 3.39Å; L133-F162 HydrophobicContact CB-CD1 4.46Å; L133-F162 CarbonylContact O-C 3.51Å; L133-F162 WeakPolarHBondContact O-CA 3.43Å; L133-N163 PolarHBondContact O-N 3.31Å
134N94.7Very high93.6Very high12 Ų1246.6 Ų46.66%0.06426%0.262CS..EExtended strand (participates in β ladder)trans-96.4113.8165.6-59.8-79.6000107.6V63 V64 L65 N163 S164V63-N134 PolarHBondContact O-N 3.17Å; V63-N134 PolarHBondContact O-ND2 3.31Å; V64-N134 CarbonylContact C-O 3.58Å; V64-N134 VanDerWaalsContact CA-O 3.29Å; V64-N134 WeakPolarHBondContact CA-O 3.43Å; V64-N134 HydrophobicContact CG2-CB 4.13Å; L65-N134 PolarHBondContact N-O 2.97Å; N134-N163 WeakPolarHBondContact OD1-CB 3.4Å; N134-N163 PolarHBondContact OD1-ND2 2.97Å; N134-S164 WeakPolarHBondContact CB-OG 3.34Å; N134-S164 PolarHBondContact OD1-OG 2.99Å
135L95.9Very high93.6Very high1 Ų143.4 Ų43.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-96.6127.9-177.5-170.957.3000109.9L65 L67 A145 L148 F162 S164 L165 C166L65-L135 HydrophobicContact CB-CD1 3.92Å; L65-L135 HydrophobicContact CD2-CD1 3.89Å; L65-L135 HydrophobicContact CG-CD1 3.8Å; L65-L135 WeakPolarHBondContact O-CA 3.47Å; L65-L135 WeakPolarHBondContact O-CD1 3.33Å; L67-L135 HydrophobicContact CD1-CD1 3.79Å; L67-L135 HydrophobicContact CD1-CD2 4.09Å; L67-L135 HydrophobicContact CD1-CG 4.32Å; L67-L135 HydrophobicContact CD2-CD1 4.36Å; L67-L135 HydrophobicContact CG-CD1 3.7Å; L135-A145 HydrophobicContact CD2-CB 3.58Å; L135-A145 HydrophobicContact CG-CB 4.38Å; L135-L148 HydrophobicContact CD2-CD1 4.41Å; L135-F162 HydrophobicContact CB-CD1 4.23Å; L135-F162 HydrophobicContact CB-CE1 4.21Å; L135-F162 HydrophobicContact CD2-CD1 4.5Å; L135-F162 HydrophobicContact CD2-CE1 3.77Å; L135-F162 HydrophobicContact CD2-CZ 4.31Å; L135-S164 PolarHBondContact N-O 3.43Å; L135-L165 HydrophobicContact CB-CD1 3.75Å; L135-L165 HydrophobicContact CD2-CD1 3.8Å; L135-L165 HydrophobicContact CG-CD1 3.78Å; L135-L165 CarbonylContact O-C 3.57Å; L135-L165 WeakPolarHBondContact O-CA 3.39Å; L135-C166 PolarHBondContact O-N 3.11Å
136I95.9Very high93.5Very high34 Ų3440.8 Ų40.817%0.17423%0.225CC..EExtended strand (participates in β ladder)trans-119.3126.9169.1-50.2178.8000107.2V64 L65 L66 L67 W77 L84 C166V64-I136 HydrophobicContact CG1-CD1 3.9Å; V64-I136 HydrophobicContact CG1-CG1 4.14Å; L65-I136 PolarHBondContact O-N 3.33Å; L66-I136 CarbonylContact C-O 3.53Å; L66-I136 VanDerWaalsContact CA-O 3.29Å; L66-I136 WeakPolarHBondContact CA-O 2.92Å; L66-I136 HydrophobicContact CD2-CB 3.65Å; L66-I136 HydrophobicContact CD2-CD1 3.81Å; L66-I136 HydrophobicContact CD2-CG1 4.01Å; L66-I136 HydrophobicContact CD2-CG2 4.39Å; L67-I136 PolarHBondContact N-O 2.89Å; W77-I136 HydrophobicContact CH2-CG2 3.8Å; W77-I136 HydrophobicContact CZ3-CG2 4.11Å; L84-I136 HydrophobicContact CD2-CD1 4.43Å; I136-C166 WeakPolarHBondContact CA-O 3.44Å; I136-C166 HydrophobicContact CG1-CB 4.3Å; I136-C166 HydrophobicContact CG2-CB 4.32Å
137S95.7Very high93.4Very high0 Ų041.2 Ų41.20%023%0.226CC..EExtended strand (participates in β ladder)trans-132.2160.6-178.560.60000112.5L67 G141 D142 C166 L167 S168L67-S137 CarbonylContact O-C 3.59Å; L67-S137 WeakPolarHBondContact O-CA 3.4Å; S137-G141 WeakPolarHBondContact CB-O 3.31Å; S137-D142 VanDerWaalsContact CB-OD1 3.22Å; S137-D142 WeakPolarHBondContact CB-OD1 3.07Å; S137-D142 VanDerWaalsContact O-OD1 3.11Å; S137-D142 PolarHBondContact OG-OD1 2.52Å; S137-C166 PolarHBondContact N-O 3.14Å; S137-L167 WeakPolarHBondContact OG-CD2 3.37Å; S137-S168 WeakPolarHBondContact O-CB 3.19Å; S137-S168 PolarHBondContact O-N 3.17Å; S137-S168 PolarHBondContact O-OG 3.45Å
138H93.3Very high93.4Very high48 Ų4838.2 Ų38.222%0.22220%0.195CC..EExtended strand (participates in β ladder)trans-137.9131.7178.4174.3-110.3000111.8L67 H68 G69 W77 Y140 G141 D142 S168 N169L67-H138 PolarHBondContact O-N 3.05Å; H68-H138 CarbonylContact C-O 3.59Å; G69-H138 WeakPolarHBondContact CA-O 3.23Å; G69-H138 PolarHBondContact N-O 3.07Å; W77-H138 HydrophobicContact CH2-CB 4.16Å; W77-H138 HydrophobicContact CZ2-CB 4.14Å; H138-Y140 PolarHBondContact O-N 3.29Å; H138-Y140 VanDerWaalsContact O-N 3.15Å; H138-G141 WeakPolarHBondContact O-CA 3.35Å; H138-G141 PolarHBondContact O-N 3.39Å; H138-D142 PolarHBondContact N-OD1 2.9Å; H138-S168 WeakPolarHBondContact CA-O 3.3Å; H138-S168 PolarHBondContact CD2-O 2.96Å; H138-S168 VanDerWaalsContact CD2-O 3.29Å; H138-N169 VanDerWaalsContact CD2-CB 3.41Å; H138-N169 WeakPolarHBondContact CD2-CB 3.44Å; H138-N169 WeakPolarHBondContact NE2-CB 3.42Å; H138-N169 PolarHBondContact NE2-ND2 3.18Å
139D93.1Very high93.3Very high57 Ų5740 Ų4031%0.30520%0.204SC..THydrogen-bonded Turntrans52.9-111.8171.2174.5-101000113.1F70 G141 D142 S168F70-D139 PolarHBondContact N-OD1 3.11Å; D139-G141 PolarHBondContact O-N 3.27Å; D139-D142 VanDerWaalsContact O-CB 3.27Å; D139-D142 WeakPolarHBondContact O-CB 3.31Å; D139-D142 PolarHBondContact O-N 2.85Å; D139-S168 PolarHBondContact N-O 3.42Å; D139-S168 VanDerWaalsContact N-O 3.11Å
140Y94.9Very high93.5Very high46 Ų4643.3 Ų43.318%0.1821%0.206CC..Hα-helixtrans-56.2-36.1175.4-179.2-98.1000112.1F96 I112 Q115 H138 D142 T143 V144F96-Y140 AromaticContact CD2-CD1 3.84Å; F96-Y140 HydrophobicContact CD2-CD1 3.84Å; F96-Y140 HydrophobicContact CD2-CE1 4.01Å; F96-Y140 AromaticContact CE2-CD1 3.93Å; F96-Y140 HydrophobicContact CE2-CD1 3.93Å; F96-Y140 HydrophobicContact CE2-CE1 4.28Å; F96-Y140 HydrophobicContact CG-CE1 4.36Å; I112-Y140 HydrophobicContact CD1-CD2 4.02Å; I112-Y140 HydrophobicContact CD1-CE1 4.36Å; I112-Y140 HydrophobicContact CD1-CE2 3.38Å; Q115-Y140 HydrophobicContact CG-CE1 3.96Å; Q115-Y140 WeakPolarHBondContact CG-OH 3.4Å; H138-Y140 PolarHBondContact O-N 3.29Å; H138-Y140 VanDerWaalsContact O-N 3.15Å; Y140-D142 PolarHBondContact O-N 3.29Å; Y140-T143 PolarHBondContact O-N 3.4Å; Y140-V144 HydrophobicContact CD1-CG2 4.28Å; Y140-V144 HydrophobicContact CE1-CG2 3.97Å; Y140-V144 PolarHBondContact O-N 3.01Å
141G96.5Very high93.8Very high0 Ų036.8 Ų36.80%017%0.17CC..Hα-helixtrans-60.1-30.517400000113H68 S137 H138 D139 V144 A145H68-G141 WeakPolarHBondContact O-CA 3.3Å; H68-G141 PolarHBondContact O-N 2.94Å; S137-G141 WeakPolarHBondContact CB-O 3.31Å; H138-G141 WeakPolarHBondContact O-CA 3.35Å; H138-G141 PolarHBondContact O-N 3.39Å; D139-G141 PolarHBondContact O-N 3.27Å; G141-V144 PolarHBondContact O-N 3.39Å; G141-A145 WeakPolarHBondContact O-CB 3.23Å; G141-A145 PolarHBondContact O-N 3.45Å
142D95.2Very high93.7Very high5 Ų534.7 Ų34.73%0.02716%0.164CC..Hα-helixtrans-66.7-39.4177.3-65.9-14.8000111S137 H138 D139 Y140 V144 A145 L146 L167 S168 G170S137-D142 VanDerWaalsContact CB-OD1 3.22Å; S137-D142 WeakPolarHBondContact CB-OD1 3.07Å; S137-D142 VanDerWaalsContact O-OD1 3.11Å; S137-D142 PolarHBondContact OG-OD1 2.52Å; H138-D142 PolarHBondContact N-OD1 2.9Å; D139-D142 VanDerWaalsContact O-CB 3.27Å; D139-D142 WeakPolarHBondContact O-CB 3.31Å; D139-D142 PolarHBondContact O-N 2.85Å; Y140-D142 PolarHBondContact O-N 3.29Å; D142-V144 VanDerWaalsContact C-N 3.32Å; D142-V144 PolarHBondContact O-N 2.86Å; D142-A145 WeakPolarHBondContact O-CB 3.25Å; D142-A145 PolarHBondContact O-N 3.18Å; D142-L146 WeakPolarHBondContact O-CG 3.21Å; D142-L146 PolarHBondContact O-N 2.71Å; D142-L167 HydrophobicContact CB-CD2 4.05Å; D142-S168 PolarHBondContact OD1-N 3.49Å; D142-S168 PolarHBondContact OD2-N 3.36Å; D142-S168 VanDerWaalsContact OD2-O 3.11Å; D142-G170 WeakPolarHBondContact OD2-CA 3.29Å; D142-G170 PolarHBondContact OD2-N 3.24Å
143T95.5Very high93.6Very high73 Ų7333.2 Ų33.245%0.44817%0.168SC..Hα-helixtrans-67.3-37177.1-54.30000111.1I112 Y140 E147I112-T143 HydrophobicContact CD1-CG2 3.69Å; I112-T143 HydrophobicContact CG1-CG2 3.77Å; I112-T143 HydrophobicContact CG2-CG2 4.07Å; Y140-T143 PolarHBondContact O-N 3.4Å; T143-E147 PolarHBondContact O-N 3.33Å; T143-E147 VanDerWaalsContact O-N 3.14Å
144V96.6Very high93.1Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-66.1-43.1172.7179.50000111L67 F96 I112 Q115 A116 V119 Y140 G141 D142 L146 E147 L148L67-V144 HydrophobicContact CD1-CB 4.42Å; L67-V144 HydrophobicContact CD1-CG1 4.24Å; F96-V144 HydrophobicContact CE1-CB 4.42Å; F96-V144 HydrophobicContact CE1-CG1 3.99Å; F96-V144 HydrophobicContact CE1-CG2 4.2Å; F96-V144 HydrophobicContact CE2-CG2 4.4Å; F96-V144 HydrophobicContact CZ-CB 3.98Å; F96-V144 HydrophobicContact CZ-CG1 3.99Å; F96-V144 HydrophobicContact CZ-CG2 3.87Å; I112-V144 HydrophobicContact CD1-CG2 4.07Å; I112-V144 HydrophobicContact CG2-CG2 4.31Å; Q115-V144 HydrophobicContact CB-CG1 4.22Å; Q115-V144 HydrophobicContact CB-CG2 3.78Å; A116-V144 HydrophobicContact CB-CG1 4.25Å; V119-V144 HydrophobicContact CG2-CG1 4.31Å; Y140-V144 HydrophobicContact CD1-CG2 4.28Å; Y140-V144 HydrophobicContact CE1-CG2 3.97Å; Y140-V144 PolarHBondContact O-N 3.01Å; G141-V144 PolarHBondContact O-N 3.39Å; D142-V144 VanDerWaalsContact C-N 3.32Å; D142-V144 PolarHBondContact O-N 2.86Å; V144-L146 PolarHBondContact O-N 3.39Å; V144-E147 PolarHBondContact O-N 3.44Å; V144-L148 HydrophobicContact CG1-CD1 4.23Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 3.48Å
145A95.5Very high92.1Very high1 Ų142.5 Ų42.51%0.00822%0.215CC..Hα-helixtrans-60.6-42.5177.100000112.4L67 L135 G141 D142 L148 L149 L165 L167L67-A145 HydrophobicContact CD1-CB 4.16Å; L135-A145 HydrophobicContact CD2-CB 3.58Å; L135-A145 HydrophobicContact CG-CB 4.38Å; G141-A145 WeakPolarHBondContact O-CB 3.23Å; G141-A145 PolarHBondContact O-N 3.45Å; D142-A145 WeakPolarHBondContact O-CB 3.25Å; D142-A145 PolarHBondContact O-N 3.18Å; A145-L148 PolarHBondContact O-N 3.47Å; A145-L149 WeakPolarHBondContact O-CB 3.19Å; A145-L149 PolarHBondContact O-N 3.42Å; A145-L165 HydrophobicContact CB-CD1 3.95Å; A145-L167 HydrophobicContact CB-CD2 4.1Å
146L93.8Very high90.6Very high55 Ų5549.2 Ų49.229%0.28824%0.24SC..Hα-helixtrans-65-39.7176.7-71.9175.6000112.4D142 V144 L149 Y150 L167 L174D142-L146 WeakPolarHBondContact O-CG 3.21Å; D142-L146 PolarHBondContact O-N 2.71Å; V144-L146 PolarHBondContact O-N 3.39Å; L146-L149 PolarHBondContact O-N 2.98Å; L146-Y150 WeakPolarHBondContact O-CB 3.4Å; L146-Y150 PolarHBondContact O-N 2.85Å; L146-L167 HydrophobicContact CD2-CD1 4.23Å; L146-L174 HydrophobicContact CD2-CD2 4.4Å
147E94.5Very high88.7Confident30 Ų3052.9 Ų52.914%0.1426%0.264CS..Hα-helixtrans-62.4-43.1173.1170.461.4-170.400111.6I112 F113 A116 T143 V144 Y150 R151I112-E147 HydrophobicContact CG2-CB 3.81Å; I112-E147 HydrophobicContact CG2-CG 4.19Å; F113-E147 HydrophobicContact CD1-CG 4.37Å; F113-E147 WeakPolarHBondContact CD1-OE1 3.34Å; A116-E147 HydrophobicContact CB-CB 4.33Å; A116-E147 HydrophobicContact CB-CG 3.61Å; T143-E147 PolarHBondContact O-N 3.33Å; T143-E147 VanDerWaalsContact O-N 3.14Å; V144-E147 PolarHBondContact O-N 3.44Å; E147-Y150 PolarHBondContact O-N 2.83Å; E147-R151 WeakPolarHBondContact O-CG 3.11Å; E147-R151 PolarHBondContact O-N 3.33Å; E147-R151 IonicContact OE1-CZ 3.85Å; E147-R151 VanDerWaalsContact OE1-CZ 3.29Å; E147-R151 IonicContact OE1-NE 3.31Å; E147-R151 PolarHBondContact OE1-NE 3.27Å; E147-R151 IonicContact OE1-NH2 3.94Å; E147-R151 PolarHBondContact OE1-NH2 3.29Å
148L94.4Very high87Confident2 Ų254.7 Ų54.71%0.0128%0.283CS..Hα-helixtrans-62.6-42.7175.8-68.3168000112L67 A116 V119 E120 L135 V144 A145 R151 S152 L160 F162L67-L148 HydrophobicContact CD1-CD1 4.29Å; A116-L148 HydrophobicContact CB-CD2 3.78Å; A116-L148 HydrophobicContact CB-CG 4.05Å; A116-L148 WeakPolarHBondContact O-CD2 3.27Å; V119-L148 HydrophobicContact CB-CD1 4.01Å; V119-L148 HydrophobicContact CB-CD2 4.35Å; V119-L148 HydrophobicContact CG1-CD1 3.6Å; V119-L148 HydrophobicContact CG1-CD2 4.38Å; V119-L148 HydrophobicContact CG2-CD1 4.43Å; E120-L148 HydrophobicContact CG-CD2 3.73Å; L135-L148 HydrophobicContact CD2-CD1 4.41Å; V144-L148 HydrophobicContact CG1-CD1 4.23Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 3.48Å; A145-L148 PolarHBondContact O-N 3.47Å; L148-R151 PolarHBondContact O-N 2.82Å; L148-S152 PolarHBondContact O-N 2.86Å; L148-L160 HydrophobicContact CB-CD1 4.5Å; L148-L160 HydrophobicContact CD1-CD1 4.15Å; L148-L160 HydrophobicContact CD2-CD1 3.83Å; L148-L160 HydrophobicContact CG-CD1 4.4Å; L148-F162 HydrophobicContact CB-CE2 4.42Å; L148-F162 HydrophobicContact CB-CZ 3.91Å
149L91.6Very high86Confident46 Ų4657 Ų5724%0.24129%0.293CS..Hα-helixtrans-62.2-44.6176.7-177.362.7000111.1A145 L146 R151 S152 D153 F162 L165 F176A145-L149 WeakPolarHBondContact O-CB 3.19Å; A145-L149 PolarHBondContact O-N 3.42Å; L146-L149 PolarHBondContact O-N 2.98Å; L149-R151 PolarHBondContact O-N 2.89Å; L149-S152 PolarHBondContact O-N 2.96Å; L149-D153 PolarHBondContact O-N 3.24Å; L149-F162 HydrophobicContact CD1-CD2 4.16Å; L149-L165 HydrophobicContact CD2-CD2 4.09Å; L149-F176 HydrophobicContact CD2-CD2 4.4Å; L149-F176 HydrophobicContact CD2-CE2 4.13Å
150Y91.1Very high85.7Confident105 Ų10554.5 Ų54.541%0.41228%0.28SS..Hα-helixtrans-59.5-43.8176173.8-105.3000112L146 E147 S152 D153 Q154L146-Y150 WeakPolarHBondContact O-CB 3.4Å; L146-Y150 PolarHBondContact O-N 2.85Å; E147-Y150 PolarHBondContact O-N 2.83Å; Y150-S152 PolarHBondContact O-N 3.48Å; Y150-D153 PolarHBondContact O-N 3.08Å; Y150-Q154 HydrophobicContact CD2-CG 3.89Å; Y150-Q154 HydrophobicContact CE1-CG 4.25Å; Y150-Q154 HydrophobicContact CE2-CG 3.48Å; Y150-Q154 VanDerWaalsContact CE2-CG 3.48Å; Y150-Q154 HydrophobicContact CG-CG 4.43Å; Y150-Q154 WeakPolarHBondContact O-CB 3.41Å; Y150-Q154 VanDerWaalsContact O-CG 3.24Å; Y150-Q154 WeakPolarHBondContact O-CG 3.23Å; Y150-Q154 PolarHBondContact O-N 3.3Å
151R91.2Very high85.4Confident22 Ų2255.9 Ų55.98%0.08329%0.291CS..Hα-helixtrans-62-43.4175.9-71177-172.9-166.84.8112.5F113 S117 E120 E147 L148 L149 Q154 N155 R156F113-R151 PolarHBondContact O-NH2 2.9Å; S117-R151 PolarHBondContact OG-NH1 3Å; E120-R151 WeakPolarHBondContact OE1-CD 3.5Å; E120-R151 IonicContact OE1-CZ 2.65Å; E120-R151 IonicContact OE1-NE 3.38Å; E120-R151 IonicContact OE1-NH1 3.23Å; E120-R151 PolarHBondContact OE1-NH1 2.83Å; E120-R151 IonicContact OE2-NH1 3Å; E120-R151 PolarHBondContact OE2-NH1 3.32Å; E147-R151 WeakPolarHBondContact O-CG 3.11Å; E147-R151 PolarHBondContact O-N 3.33Å; E147-R151 IonicContact OE1-CZ 3.85Å; E147-R151 VanDerWaalsContact OE1-CZ 3.29Å; E147-R151 IonicContact OE1-NE 3.31Å; E147-R151 PolarHBondContact OE1-NE 3.27Å; E147-R151 IonicContact OE1-NH2 3.94Å; E147-R151 PolarHBondContact OE1-NH2 3.29Å; L148-R151 PolarHBondContact O-N 2.82Å; L149-R151 PolarHBondContact O-N 2.89Å; R151-Q154 PolarHBondContact O-N 2.76Å; R151-N155 PolarHBondContact O-N 3.16Å; R151-R156 PolarHBondContact O-N 3.48Å
152S87.5Confident85.1Confident37 Ų3757.8 Ų57.826%0.25930%0.299SS..Hα-helixtrans-60.9-44.9177.4-176.50000112L148 L149 Y150 N155 L160L148-S152 PolarHBondContact O-N 2.86Å; L149-S152 PolarHBondContact O-N 2.96Å; Y150-S152 PolarHBondContact O-N 3.48Å; S152-N155 PolarHBondContact O-N 3.25Å; S152-L160 PolarHBondContact OG-O 2.81Å
153D85.1Confident84.9Confident122 Ų12261 Ų6165%0.65232%0.316SS*.Hα-helixtrans-66.2-41.6179.2178.475.3000112.3L149 Y150 N155L149-D153 PolarHBondContact O-N 3.24Å; Y150-D153 PolarHBondContact O-N 3.08Å; D153-N155 PolarHBondContact O-N 3.4Å
154Q83.6Confident84.7Confident87 Ų8759.9 Ų59.941%0.40731%0.312SS..THydrogen-bonded Turntrans-80.25.6-177.7-63.7-62.7-63.800114.1Y150 R151 R156Y150-Q154 HydrophobicContact CD2-CG 3.89Å; Y150-Q154 HydrophobicContact CE1-CG 4.25Å; Y150-Q154 HydrophobicContact CE2-CG 3.48Å; Y150-Q154 VanDerWaalsContact CE2-CG 3.48Å; Y150-Q154 HydrophobicContact CG-CG 4.43Å; Y150-Q154 WeakPolarHBondContact O-CB 3.41Å; Y150-Q154 VanDerWaalsContact O-CG 3.24Å; Y150-Q154 WeakPolarHBondContact O-CG 3.23Å; Y150-Q154 PolarHBondContact O-N 3.3Å; R151-Q154 PolarHBondContact O-N 2.76Å; Q154-R156 HydrophobicContact CB-CB 4.48Å; Q154-R156 HydrophobicContact CB-CG 3.87Å; Q154-R156 PolarHBondContact O-N 3.11Å; Q154-R156 VanDerWaalsContact O-N 3.15Å
155N74.4Confident84.5Confident122 Ų12261.3 Ų61.365%0.65232%0.319SS*.THydrogen-bonded Turntrans52.832.6-174-152.356.2000112.6R151 S152 D153 H159R151-N155 PolarHBondContact O-N 3.16Å; S152-N155 PolarHBondContact O-N 3.25Å; D153-N155 PolarHBondContact O-N 3.4Å; N155-H159 PolarHBondContact OD1-CE1 3.3Å
156R62.9Low84.4Confident142 Ų14264.4 Ų64.454%0.53634%0.34SS..  trans-95.6126.1180-70.6-178.5174.8-170.9-0.7108.3R151 Q154R151-R156 PolarHBondContact O-N 3.48Å; Q154-R156 HydrophobicContact CB-CB 4.48Å; Q154-R156 HydrophobicContact CB-CG 3.87Å; Q154-R156 PolarHBondContact O-N 3.11Å; Q154-R156 VanDerWaalsContact O-N 3.15Å
157T57.3Low84.3Confident110 Ų11063.4 Ų63.468%0.67533%0.334SS*.SBendtrans10.8125.6173.6560000118
158G60Low83.8Confident38 Ų3864 Ų6439%0.39234%0.342SS..SBendtrans85.364.1171.300000112.5L160G158-L160 PolarHBondContact O-N 2.99Å
159H71.6Confident82.8Confident96 Ų9669.6 Ų69.644%0.44437%0.372SS..  trans-61.6104.4-179.4-65.4-65.1000111.3N155N155-H159 PolarHBondContact OD1-CE1 3.3Å
160L87.3Confident81.2Confident6 Ų668.7 Ų68.73%0.03137%0.374CS..  trans-90.1119.7161.8-60.9-169000107.8V119 E120 V123 L133 L148 S152 G158 F162V119-L160 HydrophobicContact CG1-CD1 4.19Å; E120-L160 HydrophobicContact CG-CD1 4.32Å; E120-L160 HydrophobicContact CG-CG 4.27Å; V123-L160 HydrophobicContact CB-CD2 3.65Å; V123-L160 HydrophobicContact CG1-CD2 3.53Å; V123-L160 HydrophobicContact CG2-CD1 4.47Å; V123-L160 HydrophobicContact CG2-CD2 3.72Å; L133-L160 HydrophobicContact CD1-CB 4.47Å; L133-L160 HydrophobicContact CD1-CD2 4.13Å; L148-L160 HydrophobicContact CB-CD1 4.5Å; L148-L160 HydrophobicContact CD1-CD1 4.15Å; L148-L160 HydrophobicContact CD2-CD1 3.83Å; L148-L160 HydrophobicContact CG-CD1 4.4Å; S152-L160 PolarHBondContact OG-O 2.81Å; G158-L160 PolarHBondContact O-N 2.99Å; L160-F162 HydrophobicContact CB-CD2 4.47Å; L160-F162 HydrophobicContact CB-CE1 3.99Å; L160-F162 HydrophobicContact CB-CE2 3.76Å; L160-F162 HydrophobicContact CB-CZ 3.49Å; L160-F162 VanDerWaalsContact CB-CZ 3.49Å; L160-F162 HydrophobicContact CD1-CE1 4.22Å; L160-F162 HydrophobicContact CD1-CZ 3.79Å; L160-F162 HydrophobicContact CG-CZ 4.26Å; L160-F162 PolarHBondContact O-N 2.88Å
161N87.9Confident79.3Confident74 Ų7468 Ų6840%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-86.3109175.5-169.3-19.9000108.7R132 L133R132-N161 CarbonylContact C-O 3.53Å; R132-N161 WeakPolarHBondContact CA-O 3.41Å; L133-N161 PolarHBondContact N-O 3.39Å
162F89.9Confident77.3Confident40 Ų4070.9 Ų70.918%0.17542%0.419CS..EExtended strand (participates in β ladder)trans-92.5128.8-178.3-62.4-68.9000111.8L133 L135 L148 L149 L160L133-F162 HydrophobicContact CB-CD1 4.46Å; L133-F162 CarbonylContact O-C 3.51Å; L133-F162 WeakPolarHBondContact O-CA 3.43Å; L135-F162 HydrophobicContact CB-CD1 4.23Å; L135-F162 HydrophobicContact CB-CE1 4.21Å; L135-F162 HydrophobicContact CD2-CD1 4.5Å; L135-F162 HydrophobicContact CD2-CE1 3.77Å; L135-F162 HydrophobicContact CD2-CZ 4.31Å; L148-F162 HydrophobicContact CB-CE2 4.42Å; L148-F162 HydrophobicContact CB-CZ 3.91Å; L149-F162 HydrophobicContact CD1-CD2 4.16Å; L160-F162 HydrophobicContact CB-CD2 4.47Å; L160-F162 HydrophobicContact CB-CE1 3.99Å; L160-F162 HydrophobicContact CB-CE2 3.76Å; L160-F162 HydrophobicContact CB-CZ 3.49Å; L160-F162 VanDerWaalsContact CB-CZ 3.49Å; L160-F162 HydrophobicContact CD1-CE1 4.22Å; L160-F162 HydrophobicContact CD1-CZ 3.79Å; L160-F162 HydrophobicContact CG-CZ 4.26Å; L160-F162 PolarHBondContact O-N 2.88Å
163N91.2Very high75Confident73 Ų7375.8 Ų75.839%0.3945%0.447SS..EExtended strand (participates in β ladder)trans-86.6-42.6167.8-17261.7000111.5R132 L133 N134R132-N163 HydrophobicContact CB-CB 4.12Å; L133-N163 PolarHBondContact O-N 3.31Å; N134-N163 WeakPolarHBondContact OD1-CB 3.4Å; N134-N163 PolarHBondContact OD1-ND2 2.97Å
164S91.5Very high73Confident50 Ų5073.8 Ų73.835%0.3544%0.436SS..EExtended strand (participates in β ladder)trans-153156.7179.6680000111N134 L135N134-S164 WeakPolarHBondContact CB-OG 3.34Å; N134-S164 PolarHBondContact OD1-OG 2.99Å; L135-S164 PolarHBondContact N-O 3.43Å
165L92.8Very high70.9Confident29 Ų2972.9 Ų72.915%0.15244%0.444CS..EExtended strand (participates in β ladder)trans-133.8124.8175.9175.460.3000109.3L135 A145 L149 L167L135-L165 HydrophobicContact CB-CD1 3.75Å; L135-L165 HydrophobicContact CD2-CD1 3.8Å; L135-L165 HydrophobicContact CG-CD1 3.78Å; L135-L165 CarbonylContact O-C 3.57Å; L135-L165 WeakPolarHBondContact O-CA 3.39Å; A145-L165 HydrophobicContact CB-CD1 3.95Å; L149-L165 HydrophobicContact CD2-CD2 4.09Å; L165-L167 HydrophobicContact CD1-CD2 3.71Å; L165-L167 HydrophobicContact CD2-CD2 4Å; L165-L167 HydrophobicContact CD2-CG 4.37Å; L165-L167 HydrophobicContact CG-CD2 3.85Å; L165-L167 HydrophobicContact CG-CG 4.18Å
166C93.5Very high69.6Low66 Ų6673.8 Ų73.845%0.44644%0.442SS..EExtended strand (participates in β ladder)trans-116.7113.7173.2-176.10000109.1L135 I136 S137L135-C166 PolarHBondContact O-N 3.11Å; I136-C166 WeakPolarHBondContact CA-O 3.44Å; I136-C166 HydrophobicContact CG1-CB 4.3Å; I136-C166 HydrophobicContact CG2-CB 4.32Å; S137-C166 PolarHBondContact N-O 3.14Å
167L92.1Very high68.5Low34 Ų3476.3 Ų76.318%0.17846%0.457CS..EExtended strand (participates in β ladder)trans-96.9131.1175.1-54.8-179.2000108.9S137 D142 A145 L146 L165 L174S137-L167 WeakPolarHBondContact OG-CD2 3.37Å; D142-L167 HydrophobicContact CB-CD2 4.05Å; A145-L167 HydrophobicContact CB-CD2 4.1Å; L146-L167 HydrophobicContact CD2-CD1 4.23Å; L165-L167 HydrophobicContact CD1-CD2 3.71Å; L165-L167 HydrophobicContact CD2-CD2 4Å; L165-L167 HydrophobicContact CD2-CG 4.37Å; L165-L167 HydrophobicContact CG-CD2 3.85Å; L165-L167 HydrophobicContact CG-CG 4.18Å; L167-L174 HydrophobicContact CD1-CB 4.33Å
168S83.9Confident67.6Low42 Ų4274.3 Ų74.329%0.29446%0.458SS..EExtended strand (participates in β ladder)trans-128.4130.2-179.769.70000111.1S137 H138 D139 D142 G170S137-S168 WeakPolarHBondContact O-CB 3.19Å; S137-S168 PolarHBondContact O-N 3.17Å; S137-S168 PolarHBondContact O-OG 3.45Å; H138-S168 WeakPolarHBondContact CA-O 3.3Å; H138-S168 PolarHBondContact CD2-O 2.96Å; H138-S168 VanDerWaalsContact CD2-O 3.29Å; D139-S168 PolarHBondContact N-O 3.42Å; D139-S168 VanDerWaalsContact N-O 3.11Å; D142-S168 PolarHBondContact OD1-N 3.49Å; D142-S168 PolarHBondContact OD2-N 3.36Å; D142-S168 VanDerWaalsContact OD2-O 3.11Å; S168-G170 PolarHBondContact O-N 3.05Å
169N72.4Confident66.5Low120 Ų12086.1 Ų86.164%0.64250%0.499SS*.SBendtrans62.914.7-176.7-165.143.5000115.6H138H138-N169 VanDerWaalsContact CD2-CB 3.41Å; H138-N169 WeakPolarHBondContact CD2-CB 3.44Å; H138-N169 WeakPolarHBondContact NE2-CB 3.42Å; H138-N169 PolarHBondContact NE2-ND2 3.18Å
170G59.3Low66.2Low28 Ų2885.7 Ų85.729%0.28950%0.501SS..  trans-74.6140.5164.800000110.7D142 S168 T172D142-G170 WeakPolarHBondContact OD2-CA 3.29Å; D142-G170 PolarHBondContact OD2-N 3.24Å; S168-G170 PolarHBondContact O-N 3.05Å; G170-T172 PolarHBondContact O-N 3.31Å
171G49.7Very low65.1Low91 Ų9189.8 Ų89.894%0.93853%0.526SS*.SBendtrans-65.420.3166.200000113.5
172T49Very low63.8Low81 Ų8190.7 Ų90.750%0.49753%0.533SS..  trans-147.4110.6-172.2-43.90000108.5G170G170-T172 PolarHBondContact O-N 3.31Å
173V40.5Very low62.3Low141 Ų14193.7 Ų93.786%0.85555%0.554SS**  trans-90.3114.8171.1177.20000107.8
174L42.9Very low60.5Low79 Ų7995 Ų9541%0.41457%0.565SS.*  trans-131.7104.9168.6-149.578.1000107.5L146 L167 F176L146-L174 HydrophobicContact CD2-CD2 4.4Å; L167-L174 HydrophobicContact CD1-CB 4.33Å; L174-F176 HydrophobicContact CD2-CD2 4.18Å; L174-F176 HydrophobicContact CD2-CE2 3.44Å; L174-F176 VanDerWaalsContact CD2-CE2 3.44Å; L174-F176 HydrophobicContact CD2-CZ 4.23Å; L174-F176 HydrophobicContact CG-CD2 4.41Å; L174-F176 HydrophobicContact CG-CE2 3.97Å
175A38.8Very low58.4Low69 Ų6998 Ų9857%0.5758%0.579SS**  trans-105.1113.5174.800000108.8F177A175-F177 HydrophobicContact CB-CE2 4.45Å
176F47.8Very low56Low141 Ų141102.9 Ų102.962%0.61861%0.61SS**  trans-96.3114.1167.5-78.9-79.4000109L149 L174L149-F176 HydrophobicContact CD2-CD2 4.4Å; L149-F176 HydrophobicContact CD2-CE2 4.13Å; L174-F176 HydrophobicContact CD2-CD2 4.18Å; L174-F176 HydrophobicContact CD2-CE2 3.44Å; L174-F176 VanDerWaalsContact CD2-CE2 3.44Å; L174-F176 HydrophobicContact CD2-CZ 4.23Å; L174-F176 HydrophobicContact CG-CD2 4.41Å; L174-F176 HydrophobicContact CG-CE2 3.97Å
177F39.2Very low53.1Low195 Ų195105.8 Ų105.886%0.85562%0.622SS**  trans-84.5110159.4-67-82.5000106.6A175A175-F177 HydrophobicContact CB-CE2 4.45Å
178G38.6Very low49.8Very low67 Ų67111.8 Ų111.869%0.69166%0.659SS**  trans-57.3143.3171.900000110.6
179K36Very low46.7Very low287 Ų287118.1 Ų118.1100%1.24869%0.692SS**  trans-64.60170.8-80-174.4175.6-179.90111.6

Retrieved 179 of 179 residues in 119.5 ms (Link to these results)

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