A0A077ZIS6_TRITR Loading...

LysR substrate domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 208 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
1M49.7Very low55.5Low224 Ų224128.5 Ų128.5100%1.10365%0.648SS**  0103.70-153.7169.6-95.300106.1
2S64.9Low55.1Low72 Ų72121.1 Ų121.150%0.50362%0.621SS.*  trans-69.6140.1-152.549.60000114.1W4 Q5S2-W4 PolarHBondContact O-N 3.24Å; S2-Q5 PolarHBondContact O-N 2.82Å
3T60.5Low54.5Low120 Ų120120 Ų12074%0.73661%0.612SS**Hα-helixtrans-36.1-28.3168.440.30000115.3Q5 A6 A7T3-Q5 PolarHBondContact O-N 2.94Å; T3-A6 PolarHBondContact O-N 3.43Å; T3-A7 PolarHBondContact O-N 3.23Å
4W63.1Low54Low194 Ų194118.8 Ų118.874%0.73561%0.613SS**Hα-helixtrans-54.3-37.5170-96.796.6000116S2 R8S2-W4 PolarHBondContact O-N 3.24Å; W4-R8 PolarHBondContact O-N 3.19Å; W4-R8 VanDerWaalsContact O-N 3.08Å
5Q65.2Low53.9Low116 Ų116115.6 Ų115.654%0.54261%0.605SS.*Hα-helixtrans-73.4-34.5177.9-75.3179.8-24.500112S2 T3 K9S2-Q5 PolarHBondContact O-N 2.82Å; T3-Q5 PolarHBondContact O-N 2.94Å; Q5-K9 PolarHBondContact O-N 3.34Å
6A58.5Low53.9Low58 Ų58116.9 Ų116.948%0.47960%0.599SS.*Hα-helixtrans-67.6-46.2175.400000110.6T3 R8 K9 E10T3-A6 PolarHBondContact O-N 3.43Å; A6-R8 VanDerWaalsContact C-N 3.34Å; A6-R8 PolarHBondContact O-N 3.18Å; A6-K9 WeakPolarHBondContact O-CB 3.45Å; A6-K9 PolarHBondContact O-N 3.2Å; A6-K9 VanDerWaalsContact O-N 3.08Å; A6-E10 WeakPolarHBondContact O-CB 3.43Å; A6-E10 PolarHBondContact O-N 3.21Å
7A51Low54.6Low46 Ų46119.5 Ų119.538%0.3861%0.608SS.*Hα-helixtrans-60.7-39175.500000112.6T3 E10 V11T3-A7 PolarHBondContact O-N 3.23Å; A7-E10 PolarHBondContact O-N 3.25Å; A7-V11 WeakPolarHBondContact O-CB 3.42Å; A7-V11 VanDerWaalsContact O-CG2 3.28Å; A7-V11 WeakPolarHBondContact O-CG2 3.39Å; A7-V11 PolarHBondContact O-N 2.89Å
8R48.9Very low56.1Low191 Ų191116.4 Ų116.472%0.72159%0.593SS**Hα-helixtrans-64.8-38.6172.4-83.9-174.670.9179.62.2113W4 A6 E10 A12W4-R8 PolarHBondContact O-N 3.19Å; W4-R8 VanDerWaalsContact O-N 3.08Å; A6-R8 VanDerWaalsContact C-N 3.34Å; A6-R8 PolarHBondContact O-N 3.18Å; R8-E10 VanDerWaalsContact C-N 3.33Å; R8-A12 WeakPolarHBondContact O-CB 3.07Å; R8-A12 PolarHBondContact O-N 2.94Å
9K50Low57.9Low153 Ų153113.2 Ų113.267%0.66558%0.576SS**Hα-helixtrans-65.3-39.5174.1-79.7-174.2176.4-1750111.2Q5 A6 A12 H13Q5-K9 PolarHBondContact O-N 3.34Å; A6-K9 WeakPolarHBondContact O-CB 3.45Å; A6-K9 PolarHBondContact O-N 3.2Å; A6-K9 VanDerWaalsContact O-N 3.08Å; K9-A12 CarbonylContact O-C 3.52Å; K9-A12 PolarHBondContact O-N 3.17Å; K9-H13 WeakPolarHBondContact O-CB 3.28Å; K9-H13 PolarHBondContact O-CD2 2.83Å; K9-H13 VanDerWaalsContact O-CD2 3.26Å; K9-H13 PolarHBondContact O-N 3.3Å
10E49.6Very low59.7Low137 Ų137107.5 Ų107.564%0.6455%0.547SS*.Hα-helixtrans-72.8-42.9-177.2-161.9163.9-161.100112.4A6 A7 R8 A12 H13 T14A6-E10 WeakPolarHBondContact O-CB 3.43Å; A6-E10 PolarHBondContact O-N 3.21Å; A7-E10 PolarHBondContact O-N 3.25Å; R8-E10 VanDerWaalsContact C-N 3.33Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 3.21Å; E10-H13 WeakPolarHBondContact O-CA 3.32Å; E10-H13 VanDerWaalsContact O-CB 3.32Å; E10-H13 WeakPolarHBondContact O-CB 3.37Å; E10-H13 PolarHBondContact O-N 3.41Å; E10-T14 PolarHBondContact O-N 3.23Å
11V49.7Very low61.5Low102 Ų102102.6 Ų102.662%0.61852%0.522SS*.Hα-helixtrans-65.7-34.4171.3175.40000111.5A7 H13 T14 S15A7-V11 WeakPolarHBondContact O-CB 3.42Å; A7-V11 VanDerWaalsContact O-CG2 3.28Å; A7-V11 WeakPolarHBondContact O-CG2 3.39Å; A7-V11 PolarHBondContact O-N 2.89Å; V11-H13 VanDerWaalsContact C-N 3.29Å; V11-T14 PolarHBondContact O-OG1 2.81Å; V11-S15 PolarHBondContact O-OG 3.34Å
12A49.9Very low63.8Low40 Ų4092 Ų9233%0.33147%0.47SS..Hα-helixtrans-69.8-26.117000000112.6R8 K9 E10 S15 R16R8-A12 WeakPolarHBondContact O-CB 3.07Å; R8-A12 PolarHBondContact O-N 2.94Å; K9-A12 CarbonylContact O-C 3.52Å; K9-A12 PolarHBondContact O-N 3.17Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 3.21Å; A12-S15 WeakPolarHBondContact CA-OG 3.18Å; A12-S15 PolarHBondContact O-OG 3.03Å; A12-R16 WeakPolarHBondContact O-CD 3.39Å; A12-R16 WeakPolarHBondContact O-CG 3.47Å; A12-R16 PolarHBondContact O-N 3.14Å
13H47.8Very low65.4Low107 Ų10788.5 Ų88.550%0.49545%0.446SS..Hα-helixtrans-76.3-32.6178.2-106-86000112.8K9 E10 V11 R16 H17K9-H13 WeakPolarHBondContact O-CB 3.28Å; K9-H13 PolarHBondContact O-CD2 2.83Å; K9-H13 VanDerWaalsContact O-CD2 3.26Å; K9-H13 PolarHBondContact O-N 3.3Å; E10-H13 WeakPolarHBondContact O-CA 3.32Å; E10-H13 VanDerWaalsContact O-CB 3.32Å; E10-H13 WeakPolarHBondContact O-CB 3.37Å; E10-H13 PolarHBondContact O-N 3.41Å; V11-H13 VanDerWaalsContact C-N 3.29Å; H13-R16 PolarHBondContact O-N 3.37Å; H13-H17 PolarHBondContact O-ND1 3.1Å; H13-H17 VanDerWaalsContact O-ND1 3.15Å
14T47.6Very low67.2Low103 Ų10382.8 Ų82.863%0.63241%0.411SS*.Hα-helixtrans-70.9-36174.355.70000111.7E10 V11 R16E10-T14 PolarHBondContact O-N 3.23Å; V11-T14 PolarHBondContact O-OG1 2.81Å; T14-R16 VanDerWaalsContact C-N 3.34Å; T14-R16 PolarHBondContact O-N 3.36Å
15S51.5Low68.8Low71 Ų7174.9 Ų74.950%0.49739%0.385SS..Hα-helixtrans-68.9-27.7172.651.70000113.8V11 A12 H17V11-S15 PolarHBondContact O-OG 3.34Å; A12-S15 WeakPolarHBondContact CA-OG 3.18Å; A12-S15 PolarHBondContact O-OG 3.03Å; S15-H17 VanDerWaalsContact C-N 3.31Å; S15-H17 PolarHBondContact O-N 2.87Å
16R55.3Low70.4Confident136 Ų13669.8 Ų69.851%0.51336%0.363SS..G310 helixtrans-72.1-14.8-178.3-86.2173.2177.7-163.3-3.2115.6A12 H13 T14 N18 E19A12-R16 WeakPolarHBondContact O-CD 3.39Å; A12-R16 WeakPolarHBondContact O-CG 3.47Å; A12-R16 PolarHBondContact O-N 3.14Å; H13-R16 PolarHBondContact O-N 3.37Å; T14-R16 VanDerWaalsContact C-N 3.34Å; T14-R16 PolarHBondContact O-N 3.36Å; R16-N18 PolarHBondContact O-N 3.4Å; R16-N18 VanDerWaalsContact O-N 3.1Å; R16-E19 PolarHBondContact O-N 3.09Å; R16-E19 VanDerWaalsContact O-N 3.12Å
17H65Low72.2Confident161 Ų16167 Ų6775%0.74534%0.34SS*.G310 helixtrans-63.2-18.6179.4-83.277.4000112.8H13 S15H13-H17 PolarHBondContact O-ND1 3.1Å; H13-H17 VanDerWaalsContact O-ND1 3.15Å; S15-H17 VanDerWaalsContact C-N 3.31Å; S15-H17 PolarHBondContact O-N 2.87Å
18N81.5Confident74.4Confident64 Ų6465 Ų6534%0.34232%0.323SS..G310 helixtrans-110.413177.8-145.315000114R16 T48 G49 L50 Q51R16-N18 PolarHBondContact O-N 3.4Å; R16-N18 VanDerWaalsContact O-N 3.1Å; N18-T48 PolarHBondContact ND2-O 3.1Å; N18-T48 PolarHBondContact OD1-O 3.36Å; N18-G49 PolarHBondContact ND2-O 2.8Å; N18-L50 PolarHBondContact ND2-N 3.42Å; N18-L50 WeakPolarHBondContact O-CA 3.21Å; N18-L50 WeakPolarHBondContact O-CD1 3.46Å; N18-L50 WeakPolarHBondContact OD1-CA 3.32Å; N18-Q51 PolarHBondContact O-N 3.11Å
19E89.9Confident76.8Confident55 Ų5556.8 Ų56.826%0.25729%0.292SS..EExtended strand (participates in β ladder)trans-96.8137.5175.9-173.6173.2-141.100109.9R16 Q51 E53 K191R16-E19 PolarHBondContact O-N 3.09Å; R16-E19 VanDerWaalsContact O-N 3.12Å; E19-Q51 CarbonylContact C-O 3.52Å; E19-Q51 WeakPolarHBondContact CA-O 3.2Å; E19-E53 HydrophobicContact CG-CB 4.23Å; E19-K191 PolarHBondContact O-NZ 2.81Å
20F94.2Very high79Confident0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-127.6113.7176.5-172-92000110.3I22 L50 Q51 F52 E53 D72 L73 K191 L194 I195 L198F20-I22 HydrophobicContact CD1-CD1 3.99Å; F20-I22 HydrophobicContact CD1-CG1 3.65Å; F20-I22 HydrophobicContact CE1-CD1 3.99Å; F20-I22 HydrophobicContact CE1-CG1 3.6Å; F20-L50 HydrophobicContact CB-CD1 4.08Å; F20-L50 HydrophobicContact CB-CD2 4.45Å; F20-L50 HydrophobicContact CB-CG 4.37Å; F20-Q51 PolarHBondContact N-O 2.82Å; F20-F52 HydrophobicContact CB-CD1 3.96Å; F20-F52 HydrophobicContact CB-CE1 4.1Å; F20-F52 AromaticContact CD1-CD1 3.76Å; F20-F52 HydrophobicContact CD1-CD1 3.76Å; F20-F52 AromaticContact CD1-CE1 3.68Å; F20-F52 HydrophobicContact CD1-CE1 3.68Å; F20-F52 HydrophobicContact CE1-CE1 4.49Å; F20-F52 HydrophobicContact CG-CD1 4.3Å; F20-F52 HydrophobicContact CG-CE1 4.18Å; F20-F52 WeakPolarHBondContact O-CA 3.36Å; F20-E53 PolarHBondContact O-N 3.25Å; F20-D72 WeakPolarHBondContact CA-OD2 3.4Å; F20-D72 HydrophobicContact CD2-CB 3.96Å; F20-D72 HydrophobicContact CE2-CB 3.77Å; F20-D72 HydrophobicContact CG-CB 4.49Å; F20-D72 HydrophobicContact CZ-CB 4.17Å; F20-L73 HydrophobicContact CE1-CB 3.92Å; F20-L73 HydrophobicContact CE1-CD2 3.99Å; F20-L73 HydrophobicContact CZ-CB 3.81Å; F20-L73 HydrophobicContact CZ-CD2 4.14Å; F20-K191 HydrophobicContact CD2-CD 3.91Å; F20-K191 HydrophobicContact CE2-CB 4.45Å; F20-K191 HydrophobicContact CE2-CD 4.33Å; F20-L194 HydrophobicContact CD2-CD2 3.72Å; F20-L194 HydrophobicContact CD2-CG 4.33Å; F20-L194 HydrophobicContact CE2-CD2 4.22Å; F20-L194 HydrophobicContact CE2-CG 4.39Å; F20-L194 HydrophobicContact CG-CD2 4.47Å; F20-I195 HydrophobicContact CE2-CD1 4.45Å; F20-I195 HydrophobicContact CE2-CG1 3.57Å; F20-I195 HydrophobicContact CZ-CG1 3.65Å; F20-L198 HydrophobicContact CD1-CD1 3.8Å; F20-L198 HydrophobicContact CD2-CD1 4.27Å; F20-L198 HydrophobicContact CE1-CD1 3.53Å; F20-L198 HydrophobicContact CE2-CD1 4.06Å; F20-L198 HydrophobicContact CG-CD1 4.14Å; F20-L198 HydrophobicContact CZ-CD1 3.67Å
21S97.2Very high81.2Confident4 Ų446 Ų463%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-97.2127-172.758.70000112.1E53 L71 D72 L73S21-E53 CarbonylContact C-O 3.55Å; S21-E53 WeakPolarHBondContact CA-O 3.42Å; S21-L71 VanDerWaalsContact OG-CA 3.3Å; S21-L71 WeakPolarHBondContact OG-CA 3.49Å; S21-D72 PolarHBondContact N-OD2 2.99Å; S21-D72 WeakPolarHBondContact O-CB 3.4Å; S21-D72 PolarHBondContact O-N 2.88Å; S21-D72 PolarHBondContact OG-N 2.87Å; S21-D72 PolarHBondContact OG-OD2 3.06Å; S21-L73 PolarHBondContact O-N 3.13Å
22I98.4Very high83.4Confident1 Ų142 Ų421%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-120.1125.2-176.9-55173.6000108.4F20 W29 W36 L40 F52 E53 R55 L73 I75F20-I22 HydrophobicContact CD1-CD1 3.99Å; F20-I22 HydrophobicContact CD1-CG1 3.65Å; F20-I22 HydrophobicContact CE1-CD1 3.99Å; F20-I22 HydrophobicContact CE1-CG1 3.6Å; I22-W29 HydrophobicContact CB-CH2 4.05Å; I22-W29 HydrophobicContact CB-CZ2 3.92Å; I22-W29 HydrophobicContact CG2-CH2 3.88Å; I22-W29 HydrophobicContact CG2-CZ2 3.7Å; I22-W29 WeakPolarHBondContact O-CZ2 3.41Å; I22-W36 HydrophobicContact CD1-CH2 4.01Å; I22-W36 HydrophobicContact CD1-CZ3 3.83Å; I22-W36 HydrophobicContact CG2-CZ3 4.12Å; I22-L40 HydrophobicContact CD1-CD1 4.04Å; I22-F52 HydrophobicContact CD1-CD1 3.86Å; I22-F52 HydrophobicContact CD1-CE1 4.23Å; I22-E53 PolarHBondContact N-O 2.91Å; I22-R55 PolarHBondContact O-N 3.1Å; I22-L73 CarbonylContact C-O 3.54Å; I22-L73 WeakPolarHBondContact CA-O 3.46Å; I22-L73 HydrophobicContact CG1-CD2 4.49Å; I22-I75 HydrophobicContact CG2-CG1 4.19Å
23G98.4Very high85.6Confident0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-112.3137.4-178.300000111.1R55 L73 L74 I75G23-R55 WeakPolarHBondContact CA-O 3.38Å; G23-L73 PolarHBondContact N-O 2.88Å; G23-L74 CarbonylContact O-C 3.59Å; G23-L74 WeakPolarHBondContact O-CA 3.41Å; G23-L74 VanDerWaalsContact O-CD1 3.32Å; G23-L74 WeakPolarHBondContact O-CD1 2.91Å; G23-I75 PolarHBondContact O-N 3.02Å
24A98.2Very high87.8Confident0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-157.7172.8167.900000111.1L28 W29 L33 R55 I56 A57 I75A24-L28 HydrophobicContact CB-CB 3.95Å; A24-L28 HydrophobicContact CB-CD1 4.25Å; A24-W29 HydrophobicContact CB-CG 4.44Å; A24-L33 HydrophobicContact CB-CD1 3.36Å; A24-R55 PolarHBondContact N-O 3.16Å; A24-I56 WeakPolarHBondContact O-CA 3.48Å; A24-A57 PolarHBondContact O-N 2.87Å; A24-I75 HydrophobicContact CB-CB 4.3Å; A24-I75 WeakPolarHBondContact CB-O 3.21Å
25S97.2Very high90Very high28 Ų2839.4 Ų39.420%0.19620%0.197CC..  trans-66.4160.1167.364.40000110.9S27 L28 W29S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.24Å; S25-S27 PolarHBondContact OG-OG 2.85Å; S25-L28 PolarHBondContact O-N 2.86Å; S25-L28 WeakPolarHBondContact OG-CG 3.46Å; S25-L28 PolarHBondContact OG-N 3.47Å; S25-W29 PolarHBondContact O-N 2.61Å; S25-W29 VanDerWaalsContact O-N 3.15Å
26A97.9Very high92.1Very high9 Ų936 Ų367%0.07417%0.173CC..Hα-helixtrans-57.3-46.1175.600000111.4L28 W29 E30 I56 S139A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.12Å; A26-W29 WeakPolarHBondContact O-CB 3.47Å; A26-W29 PolarHBondContact O-N 2.95Å; A26-W29 VanDerWaalsContact O-N 3.11Å; A26-E30 WeakPolarHBondContact O-CB 3.48Å; A26-E30 VanDerWaalsContact O-CG 3.25Å; A26-E30 WeakPolarHBondContact O-CG 3.39Å; A26-E30 PolarHBondContact O-N 3.09Å; A26-I56 HydrophobicContact CB-CG2 3.79Å; A26-S139 WeakPolarHBondContact CB-O 3.4Å
27S97.5Very high94Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-54.9-42.1176.854.20000113.6S25 C31 S139S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.24Å; S25-S27 PolarHBondContact OG-OG 2.85Å; S27-C31 WeakPolarHBondContact O-CB 3.48Å; S27-C31 PolarHBondContact O-N 2.8Å; S27-C31 PolarHBondContact O-SG 3.04Å; S27-S139 WeakPolarHBondContact CA-O 3.42Å; S27-S139 VanDerWaalsContact CB-O 3.27Å; S27-S139 WeakPolarHBondContact CB-O 3.34Å; S27-S139 PolarHBondContact N-O 3.3Å
28L97.5Very high95.3Very high3 Ų324.6 Ų24.62%0.01614%0.135CC..Hα-helixtrans-68.7-41.5177.5-70.5176.3000111.6A24 S25 A26 M32 L33 I75 T77 F93 W116 L181A24-L28 HydrophobicContact CB-CB 3.95Å; A24-L28 HydrophobicContact CB-CD1 4.25Å; S25-L28 PolarHBondContact O-N 2.86Å; S25-L28 WeakPolarHBondContact OG-CG 3.46Å; S25-L28 PolarHBondContact OG-N 3.47Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.12Å; L28-M32 HydrophobicContact CD2-SD 3.69Å; L28-M32 WeakPolarHBondContact O-CA 3.3Å; L28-M32 WeakPolarHBondContact O-CB 3.44Å; L28-M32 PolarHBondContact O-N 3.43Å; L28-L33 HydrophobicContact CB-CD1 4.25Å; L28-L33 HydrophobicContact CB-CG 4.47Å; L28-L33 PolarHBondContact O-N 2.84Å; L28-I75 WeakPolarHBondContact CD1-O 3.21Å; L28-T77 HydrophobicContact CD1-CG2 4.48Å; L28-T77 HydrophobicContact CD2-CG2 4.24Å; L28-F93 HydrophobicContact CD2-CZ 4.46Å; L28-W116 HydrophobicContact CD2-CZ3 4.1Å; L28-L181 HydrophobicContact CD1-CD1 4.23Å; L28-L181 HydrophobicContact CD2-CD1 3.68Å
29W97.6Very high95.9Very high18 Ų1822.8 Ų22.87%0.06812%0.123CC..Iπ-helixtrans-60.5-51.9174.9-84.1112.6000112.4I22 A24 S25 A26 L33 N34 L37 A54 R55 I56I22-W29 HydrophobicContact CB-CH2 4.05Å; I22-W29 HydrophobicContact CB-CZ2 3.92Å; I22-W29 HydrophobicContact CG2-CH2 3.88Å; I22-W29 HydrophobicContact CG2-CZ2 3.7Å; I22-W29 WeakPolarHBondContact O-CZ2 3.41Å; A24-W29 HydrophobicContact CB-CG 4.44Å; S25-W29 PolarHBondContact O-N 2.61Å; S25-W29 VanDerWaalsContact O-N 3.15Å; A26-W29 WeakPolarHBondContact O-CB 3.47Å; A26-W29 PolarHBondContact O-N 2.95Å; A26-W29 VanDerWaalsContact O-N 3.11Å; W29-L33 HydrophobicContact CD2-CB 3.99Å; W29-L33 HydrophobicContact CD2-CD1 4.09Å; W29-L33 HydrophobicContact CE3-CB 3.45Å; W29-L33 VanDerWaalsContact CE3-CB 3.45Å; W29-L33 HydrophobicContact CE3-CD1 4.35Å; W29-L33 HydrophobicContact CG-CD1 4.46Å; W29-L33 HydrophobicContact CH2-CB 4.34Å; W29-L33 HydrophobicContact CZ2-CD1 4.4Å; W29-L33 HydrophobicContact CZ3-CB 3.64Å; W29-N34 WeakPolarHBondContact O-CB 3.34Å; W29-N34 PolarHBondContact O-N 3.18Å; W29-N34 VanDerWaalsContact O-N 3.1Å; W29-L37 HydrophobicContact CH2-CD2 4.29Å; W29-L37 HydrophobicContact CZ3-CB 4.13Å; W29-L37 HydrophobicContact CZ3-CD2 3.87Å; W29-A54 HydrophobicContact CE3-CB 4.48Å; W29-A54 HydrophobicContact CH2-CB 3.57Å; W29-A54 HydrophobicContact CZ2-CB 3.57Å; W29-A54 HydrophobicContact CZ3-CB 4.04Å; W29-R55 PolarHBondContact NE1-O 3.3Å; W29-I56 HydrophobicContact CG-CG1 4.14Å
30E96.9Very high96Very high54 Ų5420.2 Ų20.225%0.25211%0.111SC..Iπ-helixtrans-63.5-41.3-178.7-69.8166.5178.900112.1A26 S140 A141 E142 W161A26-E30 WeakPolarHBondContact O-CB 3.48Å; A26-E30 VanDerWaalsContact O-CG 3.25Å; A26-E30 WeakPolarHBondContact O-CG 3.39Å; A26-E30 PolarHBondContact O-N 3.09Å; E30-S140 VanDerWaalsContact CD-OG 3.28Å; E30-S140 VanDerWaalsContact OE1-CB 3.3Å; E30-S140 WeakPolarHBondContact OE1-CB 3.48Å; E30-S140 PolarHBondContact OE1-OG 3.1Å; E30-S140 WeakPolarHBondContact OE2-CA 3.43Å; E30-S140 PolarHBondContact OE2-OG 2.95Å; E30-A141 WeakPolarHBondContact OE2-CA 3.31Å; E30-A141 PolarHBondContact OE2-N 2.7Å; E30-E142 HydrophobicContact CB-CG 4.11Å; E30-E142 HydrophobicContact CG-CG 3.85Å; E30-E142 PolarHBondContact OE2-N 2.84Å; E30-W161 PolarHBondContact O-NE1 2.92Å
31C96.4Very high95.7Very high9 Ų925.4 Ų25.46%0.06113%0.132CC..Iπ-helixtrans-88.4-26.5-172.8-630000114.6S27 A141 P158 W161S27-C31 WeakPolarHBondContact O-CB 3.48Å; S27-C31 PolarHBondContact O-N 2.8Å; S27-C31 PolarHBondContact O-SG 3.04Å; C31-A141 WeakPolarHBondContact SG-CB 3.25Å; C31-P158 HydrophobicContact CB-CG 3.82Å; C31-W161 VanDerWaalsContact CA-CD1 3.43Å; C31-W161 HydrophobicContact CB-CB 3.99Å; C31-W161 HydrophobicContact CB-CD2 4.47Å; C31-W161 HydrophobicContact CB-CG 3.88Å; C31-W161 VanDerWaalsContact SG-CD2 3.59Å
32M94.6Very high95.3Very high18 Ų1832.6 Ų32.69%0.08917%0.165CC..Iπ-helixtrans-140.7-56.7-162.4-50.91717800112.1L28 N34 F93 L181 L204L28-M32 HydrophobicContact CD2-SD 3.69Å; L28-M32 WeakPolarHBondContact O-CA 3.3Å; L28-M32 WeakPolarHBondContact O-CB 3.44Å; L28-M32 PolarHBondContact O-N 3.43Å; M32-N34 PolarHBondContact O-N 3.06Å; M32-F93 HydrophobicContact CE-CB 3.75Å; M32-F93 HydrophobicContact CE-CD1 3.7Å; M32-F93 HydrophobicContact CE-CD2 4.48Å; M32-F93 HydrophobicContact CE-CE1 4.41Å; M32-F93 HydrophobicContact CE-CG 3.73Å; M32-F93 HydrophobicContact SD-CD1 4.18Å; M32-F93 HydrophobicContact SD-CD2 4.38Å; M32-F93 HydrophobicContact SD-CE1 4.42Å; M32-F93 HydrophobicContact SD-CG 4.15Å; M32-L181 HydrophobicContact CE-CD2 4.01Å; M32-L204 HydrophobicContact CE-CD2 3Å
33L96.9Very high94.7Very high0 Ų037.8 Ų37.80%019%0.193CC..Iπ-helixtrans-76-21.7-164.9-51.1179.6000113.9A24 L28 W29 Q35 W36 L37 I75 V203A24-L33 HydrophobicContact CB-CD1 3.36Å; L28-L33 HydrophobicContact CB-CD1 4.25Å; L28-L33 HydrophobicContact CB-CG 4.47Å; L28-L33 PolarHBondContact O-N 2.84Å; W29-L33 HydrophobicContact CD2-CB 3.99Å; W29-L33 HydrophobicContact CD2-CD1 4.09Å; W29-L33 HydrophobicContact CE3-CB 3.45Å; W29-L33 VanDerWaalsContact CE3-CB 3.45Å; W29-L33 HydrophobicContact CE3-CD1 4.35Å; W29-L33 HydrophobicContact CG-CD1 4.46Å; W29-L33 HydrophobicContact CH2-CB 4.34Å; W29-L33 HydrophobicContact CZ2-CD1 4.4Å; W29-L33 HydrophobicContact CZ3-CB 3.64Å; L33-Q35 VanDerWaalsContact C-N 3.33Å; L33-Q35 PolarHBondContact O-N 3.45Å; L33-W36 HydrophobicContact CB-CE3 4.47Å; L33-W36 HydrophobicContact CD2-CE3 4.21Å; L33-W36 PolarHBondContact O-N 2.68Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 PolarHBondContact O-N 2.91Å; L33-I75 HydrophobicContact CD1-CB 3.79Å; L33-I75 HydrophobicContact CD1-CG1 4.06Å; L33-I75 HydrophobicContact CD1-CG2 4.03Å; L33-I75 HydrophobicContact CD2-CB 4.29Å; L33-I75 HydrophobicContact CD2-CG1 4.28Å; L33-I75 HydrophobicContact CD2-CG2 3.78Å; L33-I75 HydrophobicContact CG-CG2 4.48Å; L33-V203 HydrophobicContact CD2-CG1 3.4Å; L33-V203 VanDerWaalsContact CD2-CG1 3.4Å
34N94.6Very high93.9Very high112 Ų11240 Ų4060%0.59920%0.203SC*.Hα-helixtrans-59.6-42.3178.1-171.544.1000112.5W29 M32 G38W29-N34 WeakPolarHBondContact O-CB 3.34Å; W29-N34 PolarHBondContact O-N 3.18Å; W29-N34 VanDerWaalsContact O-N 3.1Å; M32-N34 PolarHBondContact O-N 3.06Å; N34-G38 PolarHBondContact O-N 2.61Å
35Q93.1Very high92.6Very high85 Ų8544.5 Ų44.540%0.39723%0.227SC..Hα-helixtrans-71.1-38.5177.2-71.2176.241.500111.9L33 G38 R39L33-Q35 VanDerWaalsContact C-N 3.33Å; L33-Q35 PolarHBondContact O-N 3.45Å; Q35-G38 PolarHBondContact O-N 3.29Å; Q35-R39 PolarHBondContact O-N 2.68Å; Q35-R39 VanDerWaalsContact O-N 3.16Å
36W95.9Very high91.1Very high0 Ų047.8 Ų47.80%026%0.256CS..Hα-helixtrans-62.6-45.1175175.265.3000111.6I22 L33 G38 R39 L40 L73 I75 L199 I201 V203I22-W36 HydrophobicContact CD1-CH2 4.01Å; I22-W36 HydrophobicContact CD1-CZ3 3.83Å; I22-W36 HydrophobicContact CG2-CZ3 4.12Å; L33-W36 HydrophobicContact CB-CE3 4.47Å; L33-W36 HydrophobicContact CD2-CE3 4.21Å; L33-W36 PolarHBondContact O-N 2.68Å; W36-G38 VanDerWaalsContact C-N 3.32Å; W36-G38 PolarHBondContact O-N 3.38Å; W36-R39 CarbonylContact O-C 3.58Å; W36-R39 WeakPolarHBondContact O-CA 3.39Å; W36-R39 WeakPolarHBondContact O-CB 3.48Å; W36-R39 PolarHBondContact O-N 2.9Å; W36-L40 HydrophobicContact CD2-CD1 4.11Å; W36-L40 HydrophobicContact CD2-CD2 4.46Å; W36-L40 HydrophobicContact CD2-CG 4.19Å; W36-L40 HydrophobicContact CE3-CD1 4.17Å; W36-L40 HydrophobicContact CH2-CD1 3.78Å; W36-L40 HydrophobicContact CZ2-CD1 3.68Å; W36-L40 HydrophobicContact CZ2-CD2 3.84Å; W36-L40 HydrophobicContact CZ2-CG 4.14Å; W36-L40 HydrophobicContact CZ3-CD1 4.03Å; W36-L40 WeakPolarHBondContact O-CG 3.47Å; W36-L40 PolarHBondContact O-N 3.34Å; W36-L73 HydrophobicContact CH2-CD2 3.89Å; W36-I75 HydrophobicContact CZ3-CG1 4.47Å; W36-L199 HydrophobicContact CZ2-CD2 4.22Å; W36-I201 PolarHBondContact NE1-O 3.3Å; W36-V203 HydrophobicContact CB-CG1 4.38Å; W36-V203 HydrophobicContact CD2-CG1 4.35Å; W36-V203 HydrophobicContact CD2-CG2 3.94Å; W36-V203 HydrophobicContact CG-CB 4.32Å; W36-V203 HydrophobicContact CG-CG1 4.24Å; W36-V203 HydrophobicContact CG-CG2 4.13Å; W36-V203 HydrophobicContact CZ2-CG2 4.11Å
37L95.1Very high89.2Confident26 Ų2655.6 Ų55.614%0.13629%0.29CS..Hα-helixtrans-58.2-42.3176.6-179.362000112.1W29 L33 R39 L40 Y41 F52 A54W29-L37 HydrophobicContact CH2-CD2 4.29Å; W29-L37 HydrophobicContact CZ3-CB 4.13Å; W29-L37 HydrophobicContact CZ3-CD2 3.87Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 PolarHBondContact O-N 2.91Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 3.45Å; L37-L40 HydrophobicContact CD1-CD1 4.39Å; L37-L40 WeakPolarHBondContact O-CB 3.2Å; L37-L40 PolarHBondContact O-N 2.69Å; L37-Y41 HydrophobicContact CD1-CD2 4.31Å; L37-Y41 HydrophobicContact CD1-CE2 4.02Å; L37-Y41 HydrophobicContact CG-CD2 4.35Å; L37-Y41 HydrophobicContact CG-CE2 4.22Å; L37-Y41 WeakPolarHBondContact O-CD2 3.08Å; L37-Y41 PolarHBondContact O-N 2.99Å; L37-F52 HydrophobicContact CD1-CB 3.73Å; L37-F52 HydrophobicContact CD1-CD1 4.44Å; L37-F52 HydrophobicContact CD1-CD2 3.88Å; L37-F52 HydrophobicContact CD1-CG 3.78Å; L37-A54 HydrophobicContact CD2-CB 4.39Å
38G93Very high87.7Confident30 Ų3058.8 Ų58.831%0.30931%0.31SS..Hα-helixtrans-59.1-41.5173.400000112.8N34 Q35 W36 Y41 Q42N34-G38 PolarHBondContact O-N 2.61Å; Q35-G38 PolarHBondContact O-N 3.29Å; W36-G38 VanDerWaalsContact C-N 3.32Å; W36-G38 PolarHBondContact O-N 3.38Å; G38-Y41 PolarHBondContact O-N 3.28Å; G38-Q42 WeakPolarHBondContact O-CG 3.43Å; G38-Q42 PolarHBondContact O-N 3.18Å; G38-Q42 VanDerWaalsContact O-N 3.13Å
39R92.8Very high86.7Confident27 Ų2760.8 Ų60.810%0.10233%0.331CS..Hα-helixtrans-69.3-33.7175.7-72.5-175.2-70.8134.51.3112.9Q35 W36 L37 Y41 Q42 N43 I201 N202 D205Q35-R39 PolarHBondContact O-N 2.68Å; Q35-R39 VanDerWaalsContact O-N 3.16Å; W36-R39 CarbonylContact O-C 3.58Å; W36-R39 WeakPolarHBondContact O-CA 3.39Å; W36-R39 WeakPolarHBondContact O-CB 3.48Å; W36-R39 PolarHBondContact O-N 2.9Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 3.45Å; R39-Y41 VanDerWaalsContact C-N 3.34Å; R39-Q42 PolarHBondContact O-N 2.81Å; R39-N43 PolarHBondContact O-N 2.89Å; R39-N43 PolarHBondContact O-ND2 3.05Å; R39-I201 HydrophobicContact CB-CG2 4.09Å; R39-N202 PolarHBondContact NH1-O 2.91Å; R39-N202 PolarHBondContact NH2-O 3.2Å; R39-D205 IonicContact NH1-OD2 3.02Å
40L92.4Very high86.3Confident1 Ų160.7 Ų60.71%0.00533%0.332CS..Hα-helixtrans-58-49.2172.6-64.6-175.6000110.4I22 W36 L37 Q42 N43 Q44 F52 L198 I201I22-L40 HydrophobicContact CD1-CD1 4.04Å; W36-L40 HydrophobicContact CD2-CD1 4.11Å; W36-L40 HydrophobicContact CD2-CD2 4.46Å; W36-L40 HydrophobicContact CD2-CG 4.19Å; W36-L40 HydrophobicContact CE3-CD1 4.17Å; W36-L40 HydrophobicContact CH2-CD1 3.78Å; W36-L40 HydrophobicContact CZ2-CD1 3.68Å; W36-L40 HydrophobicContact CZ2-CD2 3.84Å; W36-L40 HydrophobicContact CZ2-CG 4.14Å; W36-L40 HydrophobicContact CZ3-CD1 4.03Å; W36-L40 WeakPolarHBondContact O-CG 3.47Å; W36-L40 PolarHBondContact O-N 3.34Å; L37-L40 HydrophobicContact CD1-CD1 4.39Å; L37-L40 WeakPolarHBondContact O-CB 3.2Å; L37-L40 PolarHBondContact O-N 2.69Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.07Å; L40-N43 PolarHBondContact O-N 3.29Å; L40-Q44 WeakPolarHBondContact O-CG 3.25Å; L40-Q44 PolarHBondContact O-N 3.06Å; L40-F52 HydrophobicContact CB-CE2 3.65Å; L40-F52 HydrophobicContact CB-CZ 3.73Å; L40-F52 HydrophobicContact CD1-CE1 3.9Å; L40-F52 HydrophobicContact CD1-CE2 4.25Å; L40-F52 HydrophobicContact CD1-CZ 3.75Å; L40-F52 HydrophobicContact CG-CZ 4.34Å; L40-L198 HydrophobicContact CD2-CB 4.3Å; L40-L198 HydrophobicContact CD2-CD2 4.04Å; L40-I201 HydrophobicContact CD2-CB 4.1Å; L40-I201 HydrophobicContact CD2-CD1 3.61Å; L40-I201 HydrophobicContact CD2-CG1 4.4Å; L40-I201 HydrophobicContact CD2-CG2 4.37Å
41Y89Confident86Confident109 Ų10963.5 Ų63.543%0.42735%0.345SS..Hα-helixtrans-61.3-37.7176.9-84-70.9000113.2L37 G38 R39 N43 F52L37-Y41 HydrophobicContact CD1-CD2 4.31Å; L37-Y41 HydrophobicContact CD1-CE2 4.02Å; L37-Y41 HydrophobicContact CG-CD2 4.35Å; L37-Y41 HydrophobicContact CG-CE2 4.22Å; L37-Y41 WeakPolarHBondContact O-CD2 3.08Å; L37-Y41 PolarHBondContact O-N 2.99Å; G38-Y41 PolarHBondContact O-N 3.28Å; R39-Y41 VanDerWaalsContact C-N 3.34Å; Y41-N43 VanDerWaalsContact C-N 3.35Å; Y41-F52 HydrophobicContact CD1-CD2 4.27Å; Y41-F52 AromaticContact CD2-CD2 3.99Å; Y41-F52 HydrophobicContact CD2-CD2 3.99Å; Y41-F52 HydrophobicContact CD2-CE2 4.49Å; Y41-F52 AromaticContact CE1-CD2 3.9Å; Y41-F52 HydrophobicContact CE1-CD2 3.9Å; Y41-F52 HydrophobicContact CE2-CB 4.21Å; Y41-F52 AromaticContact CE2-CD2 3.6Å; Y41-F52 HydrophobicContact CE2-CD2 3.6Å; Y41-F52 HydrophobicContact CE2-CG 4.37Å; Y41-F52 HydrophobicContact CG-CD2 4.32Å; Y41-F52 AromaticContact CZ-CD2 3.56Å; Y41-F52 PolarHBondContact OH-N 3.33Å
42Q88.2Confident85.9Confident155 Ų15564.1 Ų64.172%0.72435%0.347SS*.Hα-helixtrans-70.1-29.1179.6-71.6170.13.800113.7G38 R39 L40G38-Q42 WeakPolarHBondContact O-CG 3.43Å; G38-Q42 PolarHBondContact O-N 3.18Å; G38-Q42 VanDerWaalsContact O-N 3.13Å; R39-Q42 PolarHBondContact O-N 2.81Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.07Å
43N86.2Confident85.9Confident110 Ų11066.2 Ų66.259%0.58836%0.356SS*.THydrogen-bonded Turntrans-92.50-178.9-74.9-83.3000113.2R39 L40 Y41 I201R39-N43 PolarHBondContact O-N 2.89Å; R39-N43 PolarHBondContact O-ND2 3.05Å; L40-N43 PolarHBondContact O-N 3.29Å; Y41-N43 VanDerWaalsContact C-N 3.35Å; N43-I201 HydrophobicContact CB-CD1 3.61Å
44Q80Confident86Confident47 Ų4768.7 Ų68.722%0.2238%0.377CS..SBendtrans-73.3142.7175.4-80.1179.4-1.600111.4L40 A46 L50 F52L40-Q44 WeakPolarHBondContact O-CG 3.25Å; L40-Q44 PolarHBondContact O-N 3.06Å; Q44-A46 PolarHBondContact O-N 3.02Å; Q44-L50 PolarHBondContact NE2-O 2.99Å; Q44-L50 VanDerWaalsContact NE2-O 3.1Å; Q44-L50 PolarHBondContact OE1-O 2.85Å; Q44-F52 VanDerWaalsContact NE2-CZ 3.34Å
45D71.6Confident86.1Confident93 Ų9365.7 Ų65.750%0.49736%0.357SS..  trans-66.2127.6163.4-174.9-21.7000108.3H47 T48D45-H47 PolarHBondContact O-N 2.94Å; D45-H47 IonicContact OD1-CD2 3.88Å; D45-H47 PolarHBondContact OD1-CD2 2.85Å; D45-H47 VanDerWaalsContact OD1-CD2 3.26Å; D45-H47 IonicContact OD1-CG 3.27Å; D45-H47 PolarHBondContact OD1-N 3.23Å; D45-T48 HydrophobicContact CB-CG2 3.94Å; D45-T48 PolarHBondContact O-N 2.65Å; D45-T48 PolarHBondContact O-OG1 2.81Å
46A64.9Low86.4Confident98 Ų9867 Ų6781%0.8137%0.366SS*.THydrogen-bonded Turntrans-52.2-22179.200000113.2Q44Q44-A46 PolarHBondContact O-N 3.02Å
47H58.9Low86.4Confident172 Ų17268.4 Ų68.480%0.79638%0.377SS*.THydrogen-bonded Turntrans-86.6-14.8177.7-59.7-58.6000114.9D45D45-H47 PolarHBondContact O-N 2.94Å; D45-H47 IonicContact OD1-CD2 3.88Å; D45-H47 PolarHBondContact OD1-CD2 2.85Å; D45-H47 VanDerWaalsContact OD1-CD2 3.26Å; D45-H47 IonicContact OD1-CG 3.27Å; D45-H47 PolarHBondContact OD1-N 3.23Å
48T66Low86.4Confident68 Ų6874.3 Ų74.342%0.41740%0.404SS..THydrogen-bonded Turntrans-81.5-20.2-174.854.20000114.3N18 D45 L50N18-T48 PolarHBondContact ND2-O 3.1Å; N18-T48 PolarHBondContact OD1-O 3.36Å; D45-T48 HydrophobicContact CB-CG2 3.94Å; D45-T48 PolarHBondContact O-N 2.65Å; D45-T48 PolarHBondContact O-OG1 2.81Å; T48-L50 PolarHBondContact O-N 2.99Å
49G77.3Confident86.3Confident44 Ų4475.6 Ų75.645%0.45440%0.4SS..  trans56.614.6171.100000116.2N18 Q51N18-G49 PolarHBondContact ND2-O 2.8Å; G49-Q51 PolarHBondContact O-N 3.3Å
50L88.9Confident86.4Confident17 Ų1782.3 Ų82.39%0.08943%0.432CS..PPolyproline II helixtrans-66.3117.5-172-179.979.3000110.1N18 F20 Q44 T48 F52 L194 L198N18-L50 PolarHBondContact ND2-N 3.42Å; N18-L50 WeakPolarHBondContact O-CA 3.21Å; N18-L50 WeakPolarHBondContact O-CD1 3.46Å; N18-L50 WeakPolarHBondContact OD1-CA 3.32Å; F20-L50 HydrophobicContact CB-CD1 4.08Å; F20-L50 HydrophobicContact CB-CD2 4.45Å; F20-L50 HydrophobicContact CB-CG 4.37Å; Q44-L50 PolarHBondContact NE2-O 2.99Å; Q44-L50 VanDerWaalsContact NE2-O 3.1Å; Q44-L50 PolarHBondContact OE1-O 2.85Å; T48-L50 PolarHBondContact O-N 2.99Å; L50-F52 HydrophobicContact CD2-CE1 3.95Å; L50-F52 HydrophobicContact CD2-CZ 3.78Å; L50-L194 HydrophobicContact CD1-CD2 3.89Å; L50-L194 HydrophobicContact CD2-CD1 3.97Å; L50-L194 HydrophobicContact CD2-CD2 4.08Å; L50-L198 HydrophobicContact CD2-CD2 4.45Å
51Q90.5Very high86.5Confident113 Ų11384.7 Ų84.753%0.52845%0.449SS..EExtended strand (participates in β ladder)trans-92.1135.6-179.5-62.2180-17.800109.7N18 E19 F20 G49N18-Q51 PolarHBondContact O-N 3.11Å; E19-Q51 CarbonylContact C-O 3.52Å; E19-Q51 WeakPolarHBondContact CA-O 3.2Å; F20-Q51 PolarHBondContact N-O 2.82Å; G49-Q51 PolarHBondContact O-N 3.3Å
52F93.5Very high86.9Confident22 Ų2279.6 Ų79.610%0.09643%0.429CS..EExtended strand (participates in β ladder)trans-102.4133.7175.5-67.7-71.1000112F20 I22 L37 L40 Y41 Q44 L50 L198F20-F52 HydrophobicContact CB-CD1 3.96Å; F20-F52 HydrophobicContact CB-CE1 4.1Å; F20-F52 AromaticContact CD1-CD1 3.76Å; F20-F52 HydrophobicContact CD1-CD1 3.76Å; F20-F52 AromaticContact CD1-CE1 3.68Å; F20-F52 HydrophobicContact CD1-CE1 3.68Å; F20-F52 HydrophobicContact CE1-CE1 4.49Å; F20-F52 HydrophobicContact CG-CD1 4.3Å; F20-F52 HydrophobicContact CG-CE1 4.18Å; F20-F52 WeakPolarHBondContact O-CA 3.36Å; I22-F52 HydrophobicContact CD1-CD1 3.86Å; I22-F52 HydrophobicContact CD1-CE1 4.23Å; L37-F52 HydrophobicContact CD1-CB 3.73Å; L37-F52 HydrophobicContact CD1-CD1 4.44Å; L37-F52 HydrophobicContact CD1-CD2 3.88Å; L37-F52 HydrophobicContact CD1-CG 3.78Å; L40-F52 HydrophobicContact CB-CE2 3.65Å; L40-F52 HydrophobicContact CB-CZ 3.73Å; L40-F52 HydrophobicContact CD1-CE1 3.9Å; L40-F52 HydrophobicContact CD1-CE2 4.25Å; L40-F52 HydrophobicContact CD1-CZ 3.75Å; L40-F52 HydrophobicContact CG-CZ 4.34Å; Y41-F52 HydrophobicContact CD1-CD2 4.27Å; Y41-F52 AromaticContact CD2-CD2 3.99Å; Y41-F52 HydrophobicContact CD2-CD2 3.99Å; Y41-F52 HydrophobicContact CD2-CE2 4.49Å; Y41-F52 AromaticContact CE1-CD2 3.9Å; Y41-F52 HydrophobicContact CE1-CD2 3.9Å; Y41-F52 HydrophobicContact CE2-CB 4.21Å; Y41-F52 AromaticContact CE2-CD2 3.6Å; Y41-F52 HydrophobicContact CE2-CD2 3.6Å; Y41-F52 HydrophobicContact CE2-CG 4.37Å; Y41-F52 HydrophobicContact CG-CD2 4.32Å; Y41-F52 AromaticContact CZ-CD2 3.56Å; Y41-F52 PolarHBondContact OH-N 3.33Å; Q44-F52 VanDerWaalsContact NE2-CZ 3.34Å; L50-F52 HydrophobicContact CD2-CE1 3.95Å; L50-F52 HydrophobicContact CD2-CZ 3.78Å; F52-L198 HydrophobicContact CE1-CD1 3.9Å; F52-L198 HydrophobicContact CE1-CD2 4.29Å; F52-L198 HydrophobicContact CZ-CD1 4.33Å; F52-L198 HydrophobicContact CZ-CD2 3.88Å
53E95.6Very high87.2Confident61 Ų6173.7 Ų73.729%0.28540%0.404SS..EExtended strand (participates in β ladder)trans-106.9107.6169.6-170.3-166.2172.300109.3E19 F20 S21 I22 R55E19-E53 HydrophobicContact CG-CB 4.23Å; F20-E53 PolarHBondContact O-N 3.25Å; S21-E53 CarbonylContact C-O 3.55Å; S21-E53 WeakPolarHBondContact CA-O 3.42Å; I22-E53 PolarHBondContact N-O 2.91Å; E53-R55 HydrophobicContact CG-CG 4.24Å; E53-R55 IonicContact OE1-CZ 3.46Å; E53-R55 IonicContact OE1-NE 3.02Å; E53-R55 PolarHBondContact OE1-NE 3.06Å; E53-R55 IonicContact OE1-NH2 3.32Å; E53-R55 PolarHBondContact OE1-NH2 3.36Å; E53-R55 IonicContact OE2-CZ 2.81Å; E53-R55 IonicContact OE2-NE 2.65Å; E53-R55 PolarHBondContact OE2-NE 3.25Å; E53-R55 IonicContact OE2-NH2 3.2Å; E53-R55 PolarHBondContact OE2-NH2 3.05Å
54A97.7Very high87.6Confident53 Ų5374.4 Ų74.444%0.43840%0.402SS..EExtended strand (participates in β ladder)trans-84.4119.3174.200000110.2W29 L37W29-A54 HydrophobicContact CE3-CB 4.48Å; W29-A54 HydrophobicContact CH2-CB 3.57Å; W29-A54 HydrophobicContact CZ2-CB 3.57Å; W29-A54 HydrophobicContact CZ3-CB 4.04Å; L37-A54 HydrophobicContact CD2-CB 4.39Å
55R98.1Very high88.4Confident48 Ų4873.9 Ų73.918%0.18140%0.399CS..EExtended strand (participates in β ladder)trans-111.1130.7178.4-65-164.9-174.5147.915.7111.6I22 G23 A24 W29 E53 L62 Q70I22-R55 PolarHBondContact O-N 3.1Å; G23-R55 WeakPolarHBondContact CA-O 3.38Å; A24-R55 PolarHBondContact N-O 3.16Å; W29-R55 PolarHBondContact NE1-O 3.3Å; E53-R55 HydrophobicContact CG-CG 4.24Å; E53-R55 IonicContact OE1-CZ 3.46Å; E53-R55 IonicContact OE1-NE 3.02Å; E53-R55 PolarHBondContact OE1-NE 3.06Å; E53-R55 IonicContact OE1-NH2 3.32Å; E53-R55 PolarHBondContact OE1-NH2 3.36Å; E53-R55 IonicContact OE2-CZ 2.81Å; E53-R55 IonicContact OE2-NE 2.65Å; E53-R55 PolarHBondContact OE2-NE 3.25Å; E53-R55 IonicContact OE2-NH2 3.2Å; E53-R55 PolarHBondContact OE2-NH2 3.05Å; R55-L62 HydrophobicContact CB-CD2 4.35Å; R55-Q70 VanDerWaalsContact NH1-C 3.33Å; R55-Q70 PolarHBondContact NH1-O 3.12Å; R55-Q70 PolarHBondContact NH2-O 3.16Å
56I98.1Very high89.6Confident113 Ų11369.5 Ų69.558%0.57938%0.376SS*.EExtended strand (participates in β ladder)trans-110.5116.4175.1-63.6163.5000107.9A24 A26 W29A24-I56 WeakPolarHBondContact O-CA 3.48Å; A26-I56 HydrophobicContact CB-CG2 3.79Å; W29-I56 HydrophobicContact CG-CG1 4.14Å
57A96.8Very high90.9Very high29 Ų2969.8 Ų69.824%0.2436%0.36CS..  trans-159.6174.4172.400000110.7A24 L62A24-A57 PolarHBondContact O-N 2.87Å; A57-L62 HydrophobicContact CB-CD1 4.47Å; A57-L62 HydrophobicContact CB-CD2 3.86Å; A57-L62 HydrophobicContact CB-CG 3.91Å; A57-L62 WeakPolarHBondContact O-CD1 3.4Å
58Q93.7Very high92.6Very high151 Ų15165.9 Ų65.971%0.70634%0.342SS*.  trans-69149.6171.3-68.3178.7-2600111.2Q60 S61 L62Q58-Q60 VanDerWaalsContact C-N 3.29Å; Q58-Q60 PolarHBondContact O-N 3.07Å; Q58-S61 WeakPolarHBondContact O-CB 3.45Å; Q58-S61 PolarHBondContact O-N 3.34Å; Q58-L62 PolarHBondContact O-N 2.96Å
59R92.9Very high93.9Very high57 Ų5769.6 Ų69.622%0.21535%0.349CS..Hα-helixtrans-49.8-45.5-178177.6173.4168.775.6-2.8113.2S61 L62 V63 T76 E78 A79R59-S61 VanDerWaalsContact C-N 3.33Å; R59-S61 PolarHBondContact O-N 2.88Å; R59-L62 PolarHBondContact O-N 3.06Å; R59-V63 HydrophobicContact CG-CG2 4.16Å; R59-V63 WeakPolarHBondContact O-CB 3.44Å; R59-V63 VanDerWaalsContact O-CG2 3.3Å; R59-V63 WeakPolarHBondContact O-CG2 3.36Å; R59-V63 PolarHBondContact O-N 3.04Å; R59-T76 PolarHBondContact NH1-OG1 3.13Å; R59-E78 IonicContact CZ-OE2 3.8Å; R59-E78 IonicContact NE-OE2 3.31Å; R59-E78 PolarHBondContact NE-OE2 3.28Å; R59-E78 PolarHBondContact NH1-O 3.39Å; R59-E78 VanDerWaalsContact NH2-CB 3.3Å; R59-E78 PolarHBondContact NH2-O 3.19Å; R59-E78 IonicContact NH2-OE2 2.7Å; R59-E78 PolarHBondContact NH2-OE2 3.39Å; R59-A79 PolarHBondContact NH2-O 3.37Å; R59-A79 VanDerWaalsContact NH2-O 3.14Å
60Q93.2Very high94.8Very high167 Ų16772.1 Ų72.178%0.7835%0.349SS*.Hα-helixtrans-60.7-41.5-179.3-64.3177.11.900112.3Q58 K64Q58-Q60 VanDerWaalsContact C-N 3.29Å; Q58-Q60 PolarHBondContact O-N 3.07Å; Q60-K64 WeakPolarHBondContact O-CB 3.12Å; Q60-K64 PolarHBondContact O-N 2.92Å; Q60-K64 VanDerWaalsContact O-N 3.08Å
61S95.7Very high95.2Very high52 Ų5271.5 Ų71.536%0.36435%0.345SS..Hα-helixtrans-65.7-42.8175.2179.20000111.6Q58 R59 K64 Q65Q58-S61 WeakPolarHBondContact O-CB 3.45Å; Q58-S61 PolarHBondContact O-N 3.34Å; R59-S61 VanDerWaalsContact C-N 3.33Å; R59-S61 PolarHBondContact O-N 2.88Å; S61-K64 PolarHBondContact O-N 2.86Å; S61-Q65 WeakPolarHBondContact O-CG 3.27Å; S61-Q65 PolarHBondContact O-N 3.42Å; S61-Q65 PolarHBondContact OG-NE2 2.8Å
62L96.8Very high95.5Very high1 Ų167.1 Ų67.11%0.00533%0.326CS..Hα-helixtrans-68.9-39.5-179.4-65.5172.3000112.4R55 A57 Q58 R59 K64 Q65 L66 L71 L74R55-L62 HydrophobicContact CB-CD2 4.35Å; A57-L62 HydrophobicContact CB-CD1 4.47Å; A57-L62 HydrophobicContact CB-CD2 3.86Å; A57-L62 HydrophobicContact CB-CG 3.91Å; A57-L62 WeakPolarHBondContact O-CD1 3.4Å; Q58-L62 PolarHBondContact O-N 2.96Å; R59-L62 PolarHBondContact O-N 3.06Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-Q65 PolarHBondContact O-N 2.78Å; L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 PolarHBondContact O-N 2.86Å; L62-L71 HydrophobicContact CB-CD2 4.15Å; L62-L71 HydrophobicContact CD2-CD2 4.16Å; L62-L74 HydrophobicContact CB-CD1 3.78Å; L62-L74 HydrophobicContact CB-CD2 4.35Å; L62-L74 HydrophobicContact CD1-CD1 3.65Å; L62-L74 HydrophobicContact CG-CD1 4.33Å
63V95.2Very high95.7Very high32 Ų3266.1 Ų66.119%0.19432%0.321CS..Hα-helixtrans-61.9-42.8173.6170.10000110.6R59 L66 H67 L74 M82 F85R59-V63 HydrophobicContact CG-CG2 4.16Å; R59-V63 WeakPolarHBondContact O-CB 3.44Å; R59-V63 VanDerWaalsContact O-CG2 3.3Å; R59-V63 WeakPolarHBondContact O-CG2 3.36Å; R59-V63 PolarHBondContact O-N 3.04Å; V63-L66 WeakPolarHBondContact O-CB 3.48Å; V63-L66 PolarHBondContact O-N 2.77Å; V63-H67 PolarHBondContact O-N 3.15Å; V63-L74 HydrophobicContact CG2-CD2 3.68Å; V63-M82 HydrophobicContact CG1-CE 4.15Å; V63-F85 HydrophobicContact CG1-CE2 3.9Å; V63-F85 HydrophobicContact CG1-CZ 3.98Å
64K94.9Very high95.9Very high125 Ų12563.2 Ų63.254%0.54331%0.308SS..Hα-helixtrans-60.2-46.2174.1-178.7178.4173.6-179.70111.6Q60 S61 L62 L66 H67 E68Q60-K64 WeakPolarHBondContact O-CB 3.12Å; Q60-K64 PolarHBondContact O-N 2.92Å; Q60-K64 VanDerWaalsContact O-N 3.08Å; S61-K64 PolarHBondContact O-N 2.86Å; L62-K64 VanDerWaalsContact C-N 3.33Å; K64-L66 VanDerWaalsContact C-N 3.29Å; K64-L66 PolarHBondContact O-N 3.26Å; K64-H67 PolarHBondContact O-N 2.94Å; K64-E68 WeakPolarHBondContact CE-OE1 3.46Å; K64-E68 HydrophobicContact CG-CG 4.45Å; K64-E68 IonicContact NZ-OE1 3.52Å; K64-E68 WeakPolarHBondContact O-CB 3.17Å; K64-E68 WeakPolarHBondContact O-CG 3.2Å; K64-E68 PolarHBondContact O-N 2.97Å
65Q96.5Very high95.9Very high36 Ų3660.8 Ų60.817%0.16829%0.287CS..Hα-helixtrans-63.2-35.3176.8-71.5174.431.700112.5S61 L62 E68 R69 Q70 L71S61-Q65 WeakPolarHBondContact O-CG 3.27Å; S61-Q65 PolarHBondContact O-N 3.42Å; S61-Q65 PolarHBondContact OG-NE2 2.8Å; L62-Q65 PolarHBondContact O-N 2.78Å; Q65-E68 CarbonylContact O-C 3.56Å; Q65-E68 PolarHBondContact O-N 3.4Å; Q65-R69 PolarHBondContact O-N 2.87Å; Q65-Q70 HydrophobicContact CB-CB 4.14Å; Q65-Q70 HydrophobicContact CG-CB 4.46Å; Q65-Q70 WeakPolarHBondContact O-CA 3.25Å; Q65-Q70 PolarHBondContact O-N 3.43Å; Q65-L71 HydrophobicContact CB-CB 3.87Å; Q65-L71 PolarHBondContact O-N 3.21Å; Q65-L71 VanDerWaalsContact O-N 3.1Å
66L95.6Very high95.8Very high1 Ų158.9 Ų58.91%0.00528%0.281CS..Hα-helixtrans-64.4-48175.1-173.360.5000110.7L62 V63 K64 E68 R69 L71 L74 F85 I184 L186L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 PolarHBondContact O-N 2.86Å; V63-L66 WeakPolarHBondContact O-CB 3.48Å; V63-L66 PolarHBondContact O-N 2.77Å; K64-L66 VanDerWaalsContact C-N 3.29Å; K64-L66 PolarHBondContact O-N 3.26Å; L66-E68 VanDerWaalsContact C-N 3.32Å; L66-E68 PolarHBondContact O-N 3.24Å; L66-R69 PolarHBondContact O-N 3.18Å; L66-R69 VanDerWaalsContact O-N 3.1Å; L66-L71 HydrophobicContact CB-CB 4.45Å; L66-L71 HydrophobicContact CB-CD2 4.49Å; L66-L71 WeakPolarHBondContact CD1-O 3.4Å; L66-L74 HydrophobicContact CD2-CB 4.4Å; L66-F85 HydrophobicContact CB-CE1 4.23Å; L66-F85 HydrophobicContact CD2-CD1 3.65Å; L66-F85 HydrophobicContact CD2-CE1 3.5Å; L66-F85 HydrophobicContact CD2-CG 4.46Å; L66-F85 HydrophobicContact CD2-CZ 4.16Å; L66-F85 HydrophobicContact CG-CD1 4.16Å; L66-F85 HydrophobicContact CG-CE1 3.67Å; L66-F85 HydrophobicContact CG-CZ 4.44Å; L66-I184 HydrophobicContact CD2-CG2 3.93Å; L66-L186 HydrophobicContact CD1-CG 4.38Å; L66-L186 HydrophobicContact CG-CG 4.29Å; L66-L186 WeakPolarHBondContact O-CD1 3.26Å; L66-L186 WeakPolarHBondContact O-CG 3.29Å
67H93.1Very high95.6Very high104 Ų10453.9 Ų53.948%0.48126%0.256SS..Hα-helixtrans-59.1-42175.2-170.190.3000112.3V63 K64 R69 E84V63-H67 PolarHBondContact O-N 3.15Å; K64-H67 PolarHBondContact O-N 2.94Å; H67-R69 PolarHBondContact O-N 3.22Å; H67-E84 IonicContact CE1-OE1 3.31Å; H67-E84 PolarHBondContact CE1-OE1 2.81Å; H67-E84 IonicContact CE1-OE2 3.82Å; H67-E84 PolarHBondContact CE1-OE2 3.26Å; H67-E84 VanDerWaalsContact CE1-OE2 3.24Å; H67-E84 IonicContact CG-OE1 2.76Å; H67-E84 VanDerWaalsContact ND1-CD 3.3Å; H67-E84 IonicContact ND1-OE1 2.72Å; H67-E84 PolarHBondContact ND1-OE1 3.34Å; H67-E84 IonicContact ND1-OE2 2.9Å; H67-E84 PolarHBondContact ND1-OE2 3.35Å
68E94.6Very high95.4Very high90 Ų9053.9 Ų53.942%0.42125%0.251SS..THydrogen-bonded Turntrans-76.56.4178.2-68.5178.5179.900113.9K64 Q65 L66 Q70K64-E68 WeakPolarHBondContact CE-OE1 3.46Å; K64-E68 HydrophobicContact CG-CG 4.45Å; K64-E68 IonicContact NZ-OE1 3.52Å; K64-E68 WeakPolarHBondContact O-CB 3.17Å; K64-E68 WeakPolarHBondContact O-CG 3.2Å; K64-E68 PolarHBondContact O-N 2.97Å; Q65-E68 CarbonylContact O-C 3.56Å; Q65-E68 PolarHBondContact O-N 3.4Å; L66-E68 VanDerWaalsContact C-N 3.32Å; L66-E68 PolarHBondContact O-N 3.24Å; E68-Q70 HydrophobicContact CB-CG 4.17Å; E68-Q70 PolarHBondContact O-N 3.36Å; E68-Q70 VanDerWaalsContact O-N 3.16Å; E68-Q70 PolarHBondContact OE2-NE2 3.42Å
69R93.8Very high95.1Very high146 Ų14648.7 Ų48.755%0.55123%0.234SC*.THydrogen-bonded Turntrans56.226.7-177.4-59.3174.1173.3-98.6-5.3113.7Q65 L66 H67 L186 N188Q65-R69 PolarHBondContact O-N 2.87Å; L66-R69 PolarHBondContact O-N 3.18Å; L66-R69 VanDerWaalsContact O-N 3.1Å; H67-R69 PolarHBondContact O-N 3.22Å; R69-L186 HydrophobicContact CG-CD1 3.56Å; R69-N188 PolarHBondContact NH2-ND2 3.26Å; R69-N188 PolarHBondContact NH2-OD1 3.41Å; R69-N188 VanDerWaalsContact NH2-OD1 3.16Å
70Q95.3Very high94.8Very high97 Ų9747.3 Ų47.345%0.45323%0.232SC..SBendtrans-91.4-22.1173.9-66.3172.311.700111.1R55 Q65 E68R55-Q70 VanDerWaalsContact NH1-C 3.33Å; R55-Q70 PolarHBondContact NH1-O 3.12Å; R55-Q70 PolarHBondContact NH2-O 3.16Å; Q65-Q70 HydrophobicContact CB-CB 4.14Å; Q65-Q70 HydrophobicContact CG-CB 4.46Å; Q65-Q70 WeakPolarHBondContact O-CA 3.25Å; Q65-Q70 PolarHBondContact O-N 3.43Å; E68-Q70 HydrophobicContact CB-CG 4.17Å; E68-Q70 PolarHBondContact O-N 3.36Å; E68-Q70 VanDerWaalsContact O-N 3.16Å; E68-Q70 PolarHBondContact OE2-NE2 3.42Å
71L97.3Very high94.4Very high3 Ų349 Ų492%0.01624%0.237CC..  trans-117.6141.6176.8-173.671.7000109.8S21 L62 Q65 L66 L74S21-L71 VanDerWaalsContact OG-CA 3.3Å; S21-L71 WeakPolarHBondContact OG-CA 3.49Å; L62-L71 HydrophobicContact CB-CD2 4.15Å; L62-L71 HydrophobicContact CD2-CD2 4.16Å; Q65-L71 HydrophobicContact CB-CB 3.87Å; Q65-L71 PolarHBondContact O-N 3.21Å; Q65-L71 VanDerWaalsContact O-N 3.1Å; L66-L71 HydrophobicContact CB-CB 4.45Å; L66-L71 HydrophobicContact CB-CD2 4.49Å; L66-L71 WeakPolarHBondContact CD1-O 3.4Å; L71-L74 HydrophobicContact CD2-CB 4.11Å
72D97.3Very high94Very high22 Ų2250.7 Ų50.712%0.11824%0.24CC..SBendtrans-93.8-41.5179.4-59.5-67.7000112.4F20 S21 W185 K191F20-D72 WeakPolarHBondContact CA-OD2 3.4Å; F20-D72 HydrophobicContact CD2-CB 3.96Å; F20-D72 HydrophobicContact CE2-CB 3.77Å; F20-D72 HydrophobicContact CG-CB 4.49Å; F20-D72 HydrophobicContact CZ-CB 4.17Å; S21-D72 PolarHBondContact N-OD2 2.99Å; S21-D72 WeakPolarHBondContact O-CB 3.4Å; S21-D72 PolarHBondContact O-N 2.88Å; S21-D72 PolarHBondContact OG-N 2.87Å; S21-D72 PolarHBondContact OG-OD2 3.06Å; D72-W185 VanDerWaalsContact O-CB 3.28Å; D72-W185 WeakPolarHBondContact O-CB 3.48Å; D72-K191 HydrophobicContact CB-CD 4.45Å; D72-K191 VanDerWaalsContact OD1-CD 3.31Å; D72-K191 WeakPolarHBondContact OD1-CD 3.13Å; D72-K191 VanDerWaalsContact OD1-CE 3.29Å; D72-K191 WeakPolarHBondContact OD1-CE 3.36Å; D72-K191 IonicContact OD1-NZ 2.8Å; D72-K191 PolarHBondContact OD1-NZ 3.37Å; D72-K191 IonicContact OD2-NZ 3.42Å; D72-K191 PolarHBondContact OD2-NZ 3.04Å
73L98.2Very high93.5Very high0 Ų057.9 Ų57.90%028%0.279CS..EExtended strand (participates in β ladder)trans-138.9132-175.318063.5000111.1F20 S21 I22 G23 W36 I75 A183 W185 I195 L199F20-L73 HydrophobicContact CE1-CB 3.92Å; F20-L73 HydrophobicContact CE1-CD2 3.99Å; F20-L73 HydrophobicContact CZ-CB 3.81Å; F20-L73 HydrophobicContact CZ-CD2 4.14Å; S21-L73 PolarHBondContact O-N 3.13Å; I22-L73 CarbonylContact C-O 3.54Å; I22-L73 WeakPolarHBondContact CA-O 3.46Å; I22-L73 HydrophobicContact CG1-CD2 4.49Å; G23-L73 PolarHBondContact N-O 2.88Å; W36-L73 HydrophobicContact CH2-CD2 3.89Å; L73-I75 HydrophobicContact CD1-CD1 4.21Å; L73-I75 HydrophobicContact CD2-CD1 3.97Å; L73-I75 HydrophobicContact CG-CD1 3.95Å; L73-A183 HydrophobicContact CD1-CB 3.9Å; L73-W185 HydrophobicContact CD1-CE3 4.14Å; L73-I195 HydrophobicContact CD1-CG2 4.1Å; L73-L199 HydrophobicContact CD2-CD2 4.27Å
74L98.3Very high93.4Very high1 Ų159.5 Ų59.51%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-111.3125.6171.3170.758.4000109.9G23 L62 V63 L66 L71 T76 A183 I184G23-L74 CarbonylContact O-C 3.59Å; G23-L74 WeakPolarHBondContact O-CA 3.41Å; G23-L74 VanDerWaalsContact O-CD1 3.32Å; G23-L74 WeakPolarHBondContact O-CD1 2.91Å; L62-L74 HydrophobicContact CB-CD1 3.78Å; L62-L74 HydrophobicContact CB-CD2 4.35Å; L62-L74 HydrophobicContact CD1-CD1 3.65Å; L62-L74 HydrophobicContact CG-CD1 4.33Å; V63-L74 HydrophobicContact CG2-CD2 3.68Å; L66-L74 HydrophobicContact CD2-CB 4.4Å; L71-L74 HydrophobicContact CD2-CB 4.11Å; L74-T76 HydrophobicContact CD2-CG2 4.47Å; L74-T76 HydrophobicContact CG-CG2 4.19Å; L74-A183 CarbonylContact O-C 3.49Å; L74-A183 WeakPolarHBondContact O-CA 3.4Å; L74-I184 HydrophobicContact CB-CB 4.31Å; L74-I184 PolarHBondContact N-O 3.16Å; L74-I184 PolarHBondContact O-N 3.31Å
75I97.9Very high93.4Very high1 Ų154.4 Ų54.41%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-103.2128.2169.2-51.1-57.2000109.7I22 G23 A24 L28 L33 W36 L73 L90 L181 Y182 A183I22-I75 HydrophobicContact CG2-CG1 4.19Å; G23-I75 PolarHBondContact O-N 3.02Å; A24-I75 HydrophobicContact CB-CB 4.3Å; A24-I75 WeakPolarHBondContact CB-O 3.21Å; L28-I75 WeakPolarHBondContact CD1-O 3.21Å; L33-I75 HydrophobicContact CD1-CB 3.79Å; L33-I75 HydrophobicContact CD1-CG1 4.06Å; L33-I75 HydrophobicContact CD1-CG2 4.03Å; L33-I75 HydrophobicContact CD2-CB 4.29Å; L33-I75 HydrophobicContact CD2-CG1 4.28Å; L33-I75 HydrophobicContact CD2-CG2 3.78Å; L33-I75 HydrophobicContact CG-CG2 4.48Å; W36-I75 HydrophobicContact CZ3-CG1 4.47Å; L73-I75 HydrophobicContact CD1-CD1 4.21Å; L73-I75 HydrophobicContact CD2-CD1 3.97Å; L73-I75 HydrophobicContact CG-CD1 3.95Å; I75-L90 HydrophobicContact CD1-CD1 3.98Å; I75-L90 HydrophobicContact CG2-CD1 4.28Å; I75-L181 HydrophobicContact CG2-CD1 3.8Å; I75-L181 HydrophobicContact CG2-CD2 3.96Å; I75-L181 HydrophobicContact CG2-CG 3.89Å; I75-Y182 WeakPolarHBondContact CA-O 3.36Å; I75-A183 HydrophobicContact CD1-CB 3.84Å
76T96.5Very high93.4Very high8 Ų853.7 Ų53.75%0.04926%0.261CS..EExtended strand (participates in β ladder)trans-160.2164-166.9-1730000112.3R59 L74 E78 Y182 I184R59-T76 PolarHBondContact NH1-OG1 3.13Å; L74-T76 HydrophobicContact CD2-CG2 4.47Å; L74-T76 HydrophobicContact CG-CG2 4.19Å; T76-E78 WeakPolarHBondContact CG2-O 3.46Å; T76-Y182 PolarHBondContact N-O 3.16Å; T76-Y182 PolarHBondContact O-N 3.29Å; T76-I184 HydrophobicContact CG2-CD1 3.42Å; T76-I184 VanDerWaalsContact CG2-CD1 3.42Å; T76-I184 HydrophobicContact CG2-CG1 3.97Å
77T94.8Very high93.4Very high8 Ų856.5 Ų56.55%0.04928%0.281CS..SBendtrans-91.25.7-176.752.80000115.2L28 F93 W116 P180L28-T77 HydrophobicContact CD1-CG2 4.48Å; L28-T77 HydrophobicContact CD2-CG2 4.24Å; T77-F93 HydrophobicContact CG2-CE1 3.9Å; T77-F93 HydrophobicContact CG2-CZ 3.68Å; T77-W116 HydrophobicContact CG2-CE3 4.44Å; T77-W116 PolarHBondContact OG1-O 2.89Å; T77-P180 VanDerWaalsContact CA-O 3.29Å; T77-P180 WeakPolarHBondContact CA-O 3.37Å
78E91.4Very high93.6Very high29 Ų2954.7 Ų54.714%0.13627%0.272CS..SBendtrans-139135-173.8-74.7175.5-156.900110.3R59 T76 P118 Y182R59-E78 IonicContact CZ-OE2 3.8Å; R59-E78 IonicContact NE-OE2 3.31Å; R59-E78 PolarHBondContact NE-OE2 3.28Å; R59-E78 PolarHBondContact NH1-O 3.39Å; R59-E78 VanDerWaalsContact NH2-CB 3.3Å; R59-E78 PolarHBondContact NH2-O 3.19Å; R59-E78 IonicContact NH2-OE2 2.7Å; R59-E78 PolarHBondContact NH2-OE2 3.39Å; T76-E78 WeakPolarHBondContact CG2-O 3.46Å; E78-P118 WeakPolarHBondContact OE1-CD 3.35Å; E78-P118 WeakPolarHBondContact OE1-CG 3.47Å; E78-Y182 VanDerWaalsContact C-CD2 3.5Å
79A88.5Confident93.7Very high43 Ų4354 Ų5436%0.35527%0.271SS..  trans-59.8151.8172.600000111.8R59 Y182R59-A79 PolarHBondContact NH2-O 3.37Å; R59-A79 VanDerWaalsContact NH2-O 3.14Å; A79-Y182 HydrophobicContact CB-CD1 4.5Å; A79-Y182 HydrophobicContact CB-CE1 4.19Å; A79-Y182 HydrophobicContact CB-CE2 4.22Å
80P85.3Confident93.9Very high28 Ų2848.3 Ų48.318%0.18225%0.252CS..  trans-67.2149.3171.229-30.9000110.2F85 I184P80-F85 HydrophobicContact CB-CB 3.85Å; P80-F85 HydrophobicContact CB-CD2 3.8Å; P80-F85 HydrophobicContact CB-CG 4.28Å; P80-F85 HydrophobicContact CG-CB 4.06Å; P80-I184 HydrophobicContact CB-CD1 4.07Å; P80-I184 HydrophobicContact CB-CG2 4.13Å; P80-I184 HydrophobicContact CG-CD1 4.14Å; P80-I184 HydrophobicContact CG-CG1 4.42Å; P80-I184 HydrophobicContact CG-CG2 4.17Å
81K85.3Confident93.9Very high201 Ų20144.6 Ų44.687%0.87424%0.239SC*.SBendtrans-97.6-10.3172.8-64.7-176.1179.5179.50113.3
82M87.3Confident93.9Very high89 Ų8950.8 Ų50.844%0.43826%0.264SS..SBendtrans-108.1137.3-172-57-168.6-65.400110.4V63 E84 F85V63-M82 HydrophobicContact CG1-CE 4.15Å; M82-E84 HydrophobicContact CB-CG 3.95Å; M82-E84 VanDerWaalsContact CE-OE1 3.28Å; M82-E84 WeakPolarHBondContact CE-OE1 3.34Å; M82-E84 PolarHBondContact O-N 3.06Å; M82-F85 HydrophobicContact CB-CD2 4.23Å; M82-F85 HydrophobicContact CB-CE2 4.44Å; M82-F85 HydrophobicContact CE-CD2 4.17Å; M82-F85 HydrophobicContact CE-CE2 3.28Å; M82-F85 HydrophobicContact CE-CZ 3.85Å; M82-F85 PolarHBondContact O-N 3.38Å
83D87.5Confident93.9Very high151 Ų15150.3 Ų50.381%0.80726%0.26SS*.THydrogen-bonded Turntrans-67.3-20-175-63.8-29.5000113.7F85 Q187D83-F85 PolarHBondContact O-N 2.96Å; D83-Q187 PolarHBondContact O-OE1 3.33Å
84E92.9Very high93.8Very high66 Ų6653.3 Ų53.331%0.30828%0.279SS..THydrogen-bonded Turntrans-67-13.117862.7-174.6-149.600114.2H67 M82 Q187H67-E84 IonicContact CE1-OE1 3.31Å; H67-E84 PolarHBondContact CE1-OE1 2.81Å; H67-E84 IonicContact CE1-OE2 3.82Å; H67-E84 PolarHBondContact CE1-OE2 3.26Å; H67-E84 VanDerWaalsContact CE1-OE2 3.24Å; H67-E84 IonicContact CG-OE1 2.76Å; H67-E84 VanDerWaalsContact ND1-CD 3.3Å; H67-E84 IonicContact ND1-OE1 2.72Å; H67-E84 PolarHBondContact ND1-OE1 3.34Å; H67-E84 IonicContact ND1-OE2 2.9Å; H67-E84 PolarHBondContact ND1-OE2 3.35Å; M82-E84 HydrophobicContact CB-CG 3.95Å; M82-E84 VanDerWaalsContact CE-OE1 3.28Å; M82-E84 WeakPolarHBondContact CE-OE1 3.34Å; M82-E84 PolarHBondContact O-N 3.06Å; E84-Q187 VanDerWaalsContact O-CB 3.32Å; E84-Q187 WeakPolarHBondContact O-CB 3.42Å; E84-Q187 PolarHBondContact O-N 3.17Å
85F95.3Very high93.8Very high18 Ų1853.2 Ų53.28%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-103.7133.6-179.6-62-48.6000112.2V63 L66 P80 M82 D83 I184 W185 L186V63-F85 HydrophobicContact CG1-CE2 3.9Å; V63-F85 HydrophobicContact CG1-CZ 3.98Å; L66-F85 HydrophobicContact CB-CE1 4.23Å; L66-F85 HydrophobicContact CD2-CD1 3.65Å; L66-F85 HydrophobicContact CD2-CE1 3.5Å; L66-F85 HydrophobicContact CD2-CG 4.46Å; L66-F85 HydrophobicContact CD2-CZ 4.16Å; L66-F85 HydrophobicContact CG-CD1 4.16Å; L66-F85 HydrophobicContact CG-CE1 3.67Å; L66-F85 HydrophobicContact CG-CZ 4.44Å; P80-F85 HydrophobicContact CB-CB 3.85Å; P80-F85 HydrophobicContact CB-CD2 3.8Å; P80-F85 HydrophobicContact CB-CG 4.28Å; P80-F85 HydrophobicContact CG-CB 4.06Å; M82-F85 HydrophobicContact CB-CD2 4.23Å; M82-F85 HydrophobicContact CB-CE2 4.44Å; M82-F85 HydrophobicContact CE-CD2 4.17Å; M82-F85 HydrophobicContact CE-CE2 3.28Å; M82-F85 HydrophobicContact CE-CZ 3.85Å; M82-F85 PolarHBondContact O-N 3.38Å; D83-F85 PolarHBondContact O-N 2.96Å; F85-I184 HydrophobicContact CB-CG2 3.71Å; F85-I184 HydrophobicContact CD1-CG2 4.33Å; F85-I184 HydrophobicContact CD2-CG2 4.32Å; F85-I184 HydrophobicContact CG-CG2 3.89Å; F85-W185 CarbonylContact C-O 3.57Å; F85-W185 WeakPolarHBondContact CA-O 3.39Å; F85-L186 HydrophobicContact CD1-CD2 4.03Å; F85-L186 HydrophobicContact CE1-CD2 3.76Å; F85-L186 HydrophobicContact CE1-CG 4.43Å
86S95.8Very high93.8Very high21 Ų2153.4 Ų53.415%0.14728%0.28CS..EExtended strand (participates in β ladder)trans-80.3147.3158.4-70.70000109.8I184 W185 Q187S86-I184 WeakPolarHBondContact O-CA 3.49Å; S86-W185 VanDerWaalsContact CB-CE2 3.41Å; S86-W185 PolarHBondContact N-O 2.9Å; S86-W185 PolarHBondContact O-N 3.35Å; S86-Q187 WeakPolarHBondContact OG-CA 3.28Å
87S96.2Very high93.9Very high60 Ų6053 Ų5342%0.4228%0.277SS..EExtended strand (participates in β ladder)trans-139.5155.3172.463.90000112.7A183S87-A183 CarbonylContact C-O 3.6Å; S87-A183 WeakPolarHBondContact CA-O 3.48Å
88Q96.5Very high94Very high66 Ų6653.6 Ų53.631%0.30828%0.279SS..EExtended strand (participates in β ladder)trans-136.5126.8173.5177.6177.3-33.800108.9L90 Y182 A183 W185Q88-L90 HydrophobicContact CG-CD2 4.33Å; Q88-L90 PolarHBondContact O-N 3.02Å; Q88-Y182 WeakPolarHBondContact O-CA 3.43Å; Q88-A183 HydrophobicContact CB-CB 4.47Å; Q88-A183 PolarHBondContact N-O 2.96Å; Q88-A183 PolarHBondContact O-N 3.03Å; Q88-W185 HydrophobicContact CB-CH2 3.96Å; Q88-W185 HydrophobicContact CB-CZ3 3.96Å
89L97Very high94.3Very high75 Ų7552.2 Ų52.239%0.39327%0.273SS..EExtended strand (participates in β ladder)trans-70.4121167.7178.366.9000108.4Y92 P180 Y182L89-Y92 HydrophobicContact CD1-CE2 4.47Å; L89-Y92 HydrophobicContact CD2-CE2 3.89Å; L89-P180 HydrophobicContact CD1-CB 3.83Å; L89-Y182 HydrophobicContact CB-CD1 4.16Å; L89-Y182 HydrophobicContact CB-CE1 3.92Å; L89-Y182 HydrophobicContact CD1-CD1 4.17Å; L89-Y182 HydrophobicContact CD1-CE1 3.73Å; L89-Y182 HydrophobicContact CD1-CE2 4.42Å; L89-Y182 HydrophobicContact CG-CE1 4.39Å
90L97.1Very high94.7Very high27 Ų2752.4 Ų52.414%0.14127%0.271CS..EExtended strand (participates in β ladder)trans-89.6-21.4179.9-57.7174.8000112.2I75 Q88 L181 A183 L199 V203I75-L90 HydrophobicContact CD1-CD1 3.98Å; I75-L90 HydrophobicContact CG2-CD1 4.28Å; Q88-L90 HydrophobicContact CG-CD2 4.33Å; Q88-L90 PolarHBondContact O-N 3.02Å; L90-L181 HydrophobicContact CB-CB 4.4Å; L90-L181 HydrophobicContact CB-CD2 4.35Å; L90-L181 WeakPolarHBondContact CB-O 3.31Å; L90-L181 HydrophobicContact CD1-CD2 3.92Å; L90-L181 HydrophobicContact CD1-CG 4.12Å; L90-L181 PolarHBondContact N-O 3.41Å; L90-A183 HydrophobicContact CD1-CB 3.98Å; L90-A183 HydrophobicContact CD2-CB 3.92Å; L90-A183 HydrophobicContact CG-CB 4.1Å; L90-L199 HydrophobicContact CD2-CD2 3.9Å; L90-V203 HydrophobicContact CD1-CB 4.2Å; L90-V203 HydrophobicContact CD1-CG1 4.47Å; L90-V203 HydrophobicContact CD1-CG2 3.76Å; L90-V203 HydrophobicContact CD2-CG2 4.32Å; L90-V203 HydrophobicContact CG-CG2 4.49Å
91G96.7Very high95.2Very high19 Ų1952.5 Ų52.520%0.19627%0.274CS..EExtended strand (participates in β ladder)trans141.8-157.2178.900000111.5P180 L181G91-P180 WeakPolarHBondContact O-CA 3.46Å; G91-L181 PolarHBondContact O-N 3.29Å
92Y96.6Very high95.7Very high134 Ų13446.7 Ų46.753%0.52526%0.257SS..EExtended strand (participates in β ladder)trans-130145.1-178.8-64.1-96000110.5L89 R179 P180L89-Y92 HydrophobicContact CD1-CE2 4.47Å; L89-Y92 HydrophobicContact CD2-CE2 3.89Å; Y92-R179 CarbonylContact C-O 3.53Å; Y92-R179 VanDerWaalsContact CA-O 3.25Å; Y92-R179 WeakPolarHBondContact CA-O 3.23Å; Y92-P180 HydrophobicContact CD1-CB 4.01Å; Y92-P180 HydrophobicContact CE1-CB 3.72Å
93F96.6Very high96Very high11 Ų1147.4 Ų47.45%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-123.6149.8170.364.8-81.5000110.2L28 M32 T77 L95 W116 P158 R179 L181L28-F93 HydrophobicContact CD2-CZ 4.46Å; M32-F93 HydrophobicContact CE-CB 3.75Å; M32-F93 HydrophobicContact CE-CD1 3.7Å; M32-F93 HydrophobicContact CE-CD2 4.48Å; M32-F93 HydrophobicContact CE-CE1 4.41Å; M32-F93 HydrophobicContact CE-CG 3.73Å; M32-F93 HydrophobicContact SD-CD1 4.18Å; M32-F93 HydrophobicContact SD-CD2 4.38Å; M32-F93 HydrophobicContact SD-CE1 4.42Å; M32-F93 HydrophobicContact SD-CG 4.15Å; T77-F93 HydrophobicContact CG2-CE1 3.9Å; T77-F93 HydrophobicContact CG2-CZ 3.68Å; F93-L95 HydrophobicContact CD2-CD2 4.12Å; F93-L95 HydrophobicContact CD2-CG 4.3Å; F93-L95 HydrophobicContact CE2-CD1 4.39Å; F93-L95 HydrophobicContact CE2-CD2 3.76Å; F93-L95 HydrophobicContact CE2-CG 3.94Å; F93-W116 HydrophobicContact CE2-CE3 4.23Å; F93-W116 HydrophobicContact CE2-CH2 4.27Å; F93-W116 AromaticContact CE2-CZ3 3.86Å; F93-W116 HydrophobicContact CE2-CZ3 3.86Å; F93-W116 HydrophobicContact CZ-CE3 4.16Å; F93-W116 AromaticContact CZ-CZ3 3.97Å; F93-W116 HydrophobicContact CZ-CZ3 3.97Å; F93-P158 HydrophobicContact CD2-CB 4.34Å; F93-P158 HydrophobicContact CD2-CG 4.33Å; F93-P158 HydrophobicContact CE2-CG 4.48Å; F93-R179 HydrophobicContact CD1-CB 4.13Å; F93-R179 VanDerWaalsContact CD1-O 3.31Å; F93-R179 WeakPolarHBondContact CD1-O 3.44Å; F93-R179 HydrophobicContact CD2-CB 4.34Å; F93-R179 HydrophobicContact CE1-CB 3.61Å; F93-R179 HydrophobicContact CE2-CB 3.85Å; F93-R179 HydrophobicContact CE2-CG 4.3Å; F93-R179 HydrophobicContact CG-CB 4.48Å; F93-R179 HydrophobicContact CZ-CB 3.46Å; F93-R179 VanDerWaalsContact CZ-CB 3.46Å; F93-R179 HydrophobicContact CZ-CG 4.19Å; F93-R179 PolarHBondContact N-O 3.26Å; F93-R179 PolarHBondContact O-N 3.38Å; F93-L181 HydrophobicContact CD1-CB 4.32Å; F93-L181 HydrophobicContact CE1-CB 4.39Å; F93-L181 HydrophobicContact CE1-CD1 4.19Å
94T97.3Very high96.3Very high63 Ų6343.3 Ų43.339%0.38725%0.246SC..EExtended strand (participates in β ladder)trans-98.9126.4-177.3-55.40000110.3P158 V159 T176 L177T94-P158 CarbonylContact O-C 3.6Å; T94-P158 WeakPolarHBondContact O-CA 3.36Å; T94-V159 HydrophobicContact CG2-CG2 3.95Å; T94-V159 PolarHBondContact O-N 3.08Å; T94-T176 HydrophobicContact CG2-CG2 4.12Å; T94-L177 CarbonylContact C-O 3.59Å; T94-L177 WeakPolarHBondContact CA-O 3.31Å
95L97.8Very high96.4Very high0 Ų044 Ų440%025%0.251CS..EExtended strand (participates in β ladder)trans-94.5142.9166.8-63.2176.6000110.1F93 W116 F120 W156 L157 P158 T176 L177 R179F93-L95 HydrophobicContact CD2-CD2 4.12Å; F93-L95 HydrophobicContact CD2-CG 4.3Å; F93-L95 HydrophobicContact CE2-CD1 4.39Å; F93-L95 HydrophobicContact CE2-CD2 3.76Å; F93-L95 HydrophobicContact CE2-CG 3.94Å; L95-W116 HydrophobicContact CD1-CD2 4.05Å; L95-W116 HydrophobicContact CD1-CG 4.06Å; L95-W116 HydrophobicContact CD2-CD2 4.38Å; L95-W116 HydrophobicContact CD2-CH2 4.11Å; L95-W116 HydrophobicContact CD2-CZ2 3.63Å; L95-F120 HydrophobicContact CD1-CE2 3.56Å; L95-F120 HydrophobicContact CD1-CZ 3.96Å; L95-W156 HydrophobicContact CB-CE3 4.01Å; L95-L157 WeakPolarHBondContact CA-O 3.47Å; L95-L157 VanDerWaalsContact CD2-C 3.47Å; L95-P158 HydrophobicContact CD2-CB 4.36Å; L95-P158 HydrophobicContact CD2-CG 3.85Å; L95-T176 CarbonylContact O-C 3.59Å; L95-T176 VanDerWaalsContact O-CA 3.26Å; L95-T176 WeakPolarHBondContact O-CA 3.29Å; L95-L177 HydrophobicContact CB-CB 4.31Å; L95-L177 PolarHBondContact N-O 2.81Å; L95-L177 PolarHBondContact O-N 2.92Å; L95-R179 HydrophobicContact CD1-CG 3.64Å; L95-R179 HydrophobicContact CG-CG 4.12Å
96A97.7Very high96.3Very high4 Ų445.4 Ų45.43%0.03326%0.257CS..EExtended strand (participates in β ladder)trans-133.2158.6166.100000109.4Y98 W156 L157 V159 T170 T176A96-Y98 HydrophobicContact CB-CD2 4.26Å; A96-Y98 HydrophobicContact CB-CE2 3.73Å; A96-Y98 VanDerWaalsContact O-CD2 3.29Å; A96-Y98 WeakPolarHBondContact O-CD2 3.43Å; A96-W156 WeakPolarHBondContact O-CA 3.35Å; A96-L157 PolarHBondContact N-O 2.87Å; A96-L157 PolarHBondContact O-N 3.22Å; A96-V159 HydrophobicContact CB-CG2 3.76Å; A96-T170 HydrophobicContact CB-CG2 4.37Å; A96-T176 HydrophobicContact CB-CG2 4.17Å
97L97.7Very high96Very high0 Ų048 Ų480%029%0.288CS..EExtended strand (participates in β ladder)trans-83.2121176.4-166.671.6000109.3K106 L127 C154 W156 T170 V171L97-K106 HydrophobicContact CD2-CD 4.44Å; L97-K106 HydrophobicContact CD2-CG 3.8Å; L97-L127 HydrophobicContact CD1-CD1 3.97Å; L97-L127 HydrophobicContact CD2-CD1 4.29Å; L97-L127 HydrophobicContact CD2-CD2 3.55Å; L97-C154 HydrophobicContact CD1-CB 4.06Å; L97-C154 HydrophobicContact CD2-CB 4.22Å; L97-C154 HydrophobicContact CG-CB 3.95Å; L97-W156 HydrophobicContact CB-CD2 4.4Å; L97-W156 HydrophobicContact CB-CE3 4.32Å; L97-W156 HydrophobicContact CB-CH2 4.42Å; L97-W156 HydrophobicContact CB-CZ3 4.33Å; L97-W156 HydrophobicContact CD1-CD2 4.12Å; L97-W156 HydrophobicContact CD1-CG 4.14Å; L97-T170 CarbonylContact O-C 3.4Å; L97-T170 WeakPolarHBondContact O-CA 3.49Å; L97-V171 HydrophobicContact CB-CB 4.29Å; L97-V171 HydrophobicContact CB-CG2 4.29Å; L97-V171 HydrophobicContact CD2-CB 3.87Å; L97-V171 HydrophobicContact CD2-CG1 4.07Å; L97-V171 HydrophobicContact CD2-CG2 3.82Å; L97-V171 HydrophobicContact CG-CB 4.17Å; L97-V171 HydrophobicContact CG-CG2 3.8Å; L97-V171 PolarHBondContact O-N 3.01Å
98Y98.3Very high95.9Very high20 Ų2049.8 Ų49.88%0.07829%0.292CS..EExtended strand (participates in β ladder)trans-117151.3-177.7-76.3-87.9000112.3A96 C154 T155 L157 A162 L168 H169 T170A96-Y98 HydrophobicContact CB-CD2 4.26Å; A96-Y98 HydrophobicContact CB-CE2 3.73Å; A96-Y98 VanDerWaalsContact O-CD2 3.29Å; A96-Y98 WeakPolarHBondContact O-CD2 3.43Å; Y98-C154 WeakPolarHBondContact O-CA 3.49Å; Y98-T155 PolarHBondContact N-O 2.81Å; Y98-T155 PolarHBondContact O-N 3.1Å; Y98-L157 HydrophobicContact CD2-CB 3.86Å; Y98-L157 HydrophobicContact CD2-CD1 4.34Å; Y98-L157 HydrophobicContact CE2-CB 4.4Å; Y98-L157 HydrophobicContact CG-CD1 4.35Å; Y98-A162 HydrophobicContact CD1-CB 4.25Å; Y98-A162 HydrophobicContact CD2-CB 4Å; Y98-A162 HydrophobicContact CE1-CB 3.82Å; Y98-A162 HydrophobicContact CE2-CB 3.53Å; Y98-A162 HydrophobicContact CG-CB 4.33Å; Y98-A162 VanDerWaalsContact CZ-CB 3.44Å; Y98-L168 HydrophobicContact CD1-CB 3.71Å; Y98-L168 HydrophobicContact CE1-CB 4.29Å; Y98-L168 HydrophobicContact CG-CB 4.36Å; Y98-H169 CarbonylContact C-O 3.57Å; Y98-H169 VanDerWaalsContact CA-O 3.28Å; Y98-H169 WeakPolarHBondContact CA-O 3.37Å; Y98-T170 HydrophobicContact CD1-CG2 4.17Å; Y98-T170 HydrophobicContact CE1-CG2 3.67Å
99T98Very high95.9Very high1 Ų147.2 Ų47.21%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-139.7177.5173.4-172.20000110.4A101 K104 L109 G153 H169 V171T99-A101 WeakPolarHBondContact CG2-O 3.26Å; T99-K104 HydrophobicContact CG2-CB 3.98Å; T99-K104 HydrophobicContact CG2-CG 4.1Å; T99-L109 HydrophobicContact CG2-CD1 4.06Å; T99-G153 WeakPolarHBondContact CB-O 3.43Å; T99-G153 PolarHBondContact OG1-O 3.02Å; T99-H169 PolarHBondContact N-O 3.19Å; T99-H169 PolarHBondContact O-N 2.84Å; T99-V171 HydrophobicContact CG2-CG2 3.99Å
100S96.6Very high95.8Very high46 Ų4646.9 Ų46.932%0.32228%0.279SS..SBendtrans-89-8.3-175.358.90000114.6A149S100-A149 WeakPolarHBondContact OG-CA 3.49Å
101A95.6Very high95.8Very high30 Ų3046 Ų4625%0.24827%0.274CS..SBendtrans-133.9146.2-177.500000111.6T99 K104T99-A101 WeakPolarHBondContact CG2-O 3.26Å; A101-K104 HydrophobicContact CB-CG 4.26Å
102P95.2Very high95.9Very high80 Ų8045.1 Ų45.152%0.51927%0.265SS..THydrogen-bonded Turntrans-67.3160.4177.629.5-35.6000111.9K104P102-K104 VanDerWaalsContact C-N 3.25Å; P102-K104 PolarHBondContact O-N 3.27Å
103S92.9Very high95.9Very high104 Ų10441.3 Ų41.373%0.72725%0.25SC*.THydrogen-bonded Turntrans60.824.3169.8-53.30000116.1
104K94.8Very high95.9Very high65 Ų6540.9 Ų40.928%0.28325%0.248SC..  trans-83.9144.5174-64.6-69.7-171167.60111.6T99 A101 P102 L109 V171 V172T99-K104 HydrophobicContact CG2-CB 3.98Å; T99-K104 HydrophobicContact CG2-CG 4.1Å; A101-K104 HydrophobicContact CB-CG 4.26Å; P102-K104 VanDerWaalsContact C-N 3.25Å; P102-K104 PolarHBondContact O-N 3.27Å; K104-L109 HydrophobicContact CB-CD1 3.79Å; K104-L109 HydrophobicContact CB-CD2 4.28Å; K104-L109 HydrophobicContact CB-CG 4.23Å; K104-L109 HydrophobicContact CD-CD2 4.28Å; K104-L109 HydrophobicContact CG-CD2 4.22Å; K104-V171 WeakPolarHBondContact O-CG1 3.37Å; K104-V172 PolarHBondContact O-N 2.76Å
105L94.4Very high95.8Very high80 Ų8041.5 Ų41.542%0.41925%0.246SC..  trans-97.7155.6170.5-62.9171.3000110.3G107 D108 V172 D173L105-G107 VanDerWaalsContact C-N 3.27Å; L105-G107 PolarHBondContact O-N 2.9Å; L105-D108 PolarHBondContact O-N 2.85Å; L105-V172 HydrophobicContact CD2-CB 4.15Å; L105-V172 HydrophobicContact CD2-CG1 4.44Å; L105-D173 VanDerWaalsContact CA-OD1 3.28Å; L105-D173 WeakPolarHBondContact CA-OD1 3.42Å; L105-D173 HydrophobicContact CD2-CB 3.91Å
106K92.7Very high95.6Very high47 Ų4741.9 Ų41.920%0.20425%0.248CC..G310 helixtrans-55-42178.7-72.6168.9174.9167.60112.8L97 D108 L109 L127 V171 D173 S174L97-K106 HydrophobicContact CD2-CD 4.44Å; L97-K106 HydrophobicContact CD2-CG 3.8Å; K106-D108 PolarHBondContact O-N 3.02Å; K106-D108 VanDerWaalsContact O-N 3.17Å; K106-L109 PolarHBondContact O-N 3.25Å; K106-L127 HydrophobicContact CB-CD2 4.02Å; K106-L127 HydrophobicContact CD-CD2 3.62Å; K106-L127 HydrophobicContact CG-CD2 3.6Å; K106-V171 HydrophobicContact CB-CG1 4.43Å; K106-V171 HydrophobicContact CG-CG1 3.67Å; K106-D173 WeakPolarHBondContact CE-O 3.35Å; K106-D173 WeakPolarHBondContact CG-OD1 3.44Å; K106-D173 PolarHBondContact N-OD1 3.5Å; K106-D173 PolarHBondContact N-OD2 3.15Å; K106-D173 PolarHBondContact NZ-O 3.42Å; K106-S174 VanDerWaalsContact CE-CA 3.47Å; K106-S174 VanDerWaalsContact CE-CB 3.48Å
107G90.8Very high95.1Very high76 Ų7642.4 Ų42.478%0.78425%0.254SS*.G310 helixtrans-65.5-15.8-176.800000115L105L105-G107 VanDerWaalsContact C-N 3.27Å; L105-G107 PolarHBondContact O-N 2.9Å
108D93.2Very high94.4Very high97 Ų9747.3 Ų47.352%0.51929%0.286SS..G310 helixtrans-95.51-179.3-58.3-36.7000113.1L105 K106 N152L105-D108 PolarHBondContact O-N 2.85Å; K106-D108 PolarHBondContact O-N 3.02Å; K106-D108 VanDerWaalsContact O-N 3.17Å; D108-N152 PolarHBondContact O-ND2 3.25Å
109L96Very high93.8Very high13 Ų1349.6 Ų49.67%0.06830%0.299CS..SBendtrans-126.9146.6-167.5-62.1175.8000111.8T99 K104 K106 N152 C154 V171T99-L109 HydrophobicContact CG2-CD1 4.06Å; K104-L109 HydrophobicContact CB-CD1 3.79Å; K104-L109 HydrophobicContact CB-CD2 4.28Å; K104-L109 HydrophobicContact CB-CG 4.23Å; K104-L109 HydrophobicContact CD-CD2 4.28Å; K104-L109 HydrophobicContact CG-CD2 4.22Å; K106-L109 PolarHBondContact O-N 3.25Å; L109-N152 WeakPolarHBondContact CA-O 2.8Å; L109-C154 HydrophobicContact CB-CB 4.2Å; L109-C154 HydrophobicContact CD1-CB 3.78Å; L109-V171 HydrophobicContact CD1-CG1 4.43Å; L109-V171 HydrophobicContact CD1-CG2 3.78Å
110N96.6Very high93.5Very high67 Ų6749.7 Ų49.736%0.35830%0.299SS..EExtended strand (participates in β ladder)trans-80.9127.1172.3-69.5-45.9000110.8L112 I135 L151 N152 G153 C154N110-L112 PolarHBondContact O-N 2.88Å; N110-I135 HydrophobicContact CB-CD1 3.83Å; N110-I135 VanDerWaalsContact CG-CD1 3.46Å; N110-L151 PolarHBondContact ND2-O 3.07Å; N110-N152 PolarHBondContact N-O 3.38Å; N110-G153 CarbonylContact O-C 3.57Å; N110-G153 WeakPolarHBondContact O-CA 3.35Å; N110-C154 PolarHBondContact O-N 3.14Å
111Y97.1Very high93.1Very high9 Ų954.1 Ų54.14%0.03532%0.315CS..EExtended strand (participates in β ladder)trans-71.9123.1174.2-179.4-118.8000111.5R113 E124 L127 I128 P134 W156Y111-R113 HydrophobicContact CE1-CB 3.81Å; Y111-R113 HydrophobicContact CE1-CG 4.33Å; Y111-E124 HydrophobicContact CE1-CB 4.12Å; Y111-E124 VanDerWaalsContact CE1-CD 3.45Å; Y111-E124 HydrophobicContact CE1-CG 3.75Å; Y111-E124 WeakPolarHBondContact OH-CG 3.43Å; Y111-E124 PolarHBondContact OH-OE1 2.95Å; Y111-E124 VanDerWaalsContact OH-OE1 3.07Å; Y111-L127 WeakPolarHBondContact CB-O 3.44Å; Y111-L127 HydrophobicContact CD2-CB 3.92Å; Y111-L127 HydrophobicContact CD2-CD1 3.76Å; Y111-L127 HydrophobicContact CD2-CG 4.43Å; Y111-L127 HydrophobicContact CE2-CD1 3.79Å; Y111-L127 HydrophobicContact CG-CB 3.89Å; Y111-I128 HydrophobicContact CD1-CB 4.16Å; Y111-I128 HydrophobicContact CD1-CG2 3.9Å; Y111-P134 HydrophobicContact CD1-CG 4.31Å; Y111-P134 HydrophobicContact CE1-CG 4.5Å; Y111-W156 AromaticContact CE2-CD1 3.88Å
112L97.6Very high92.8Very high0 Ų059.1 Ų59.10%033%0.333CS..EExtended strand (participates in β ladder)trans-104.9111.7172.3-44.9-176.8000108.2N110 L114 L136 Q147 I148 L151 C154 T155N110-L112 PolarHBondContact O-N 2.88Å; L112-L114 PolarHBondContact O-N 2.68Å; L112-L136 HydrophobicContact CB-CB 4.31Å; L112-L136 HydrophobicContact CB-CD2 4.43Å; L112-L136 HydrophobicContact CD1-CD2 4.31Å; L112-L136 HydrophobicContact CD2-CB 4Å; L112-Q147 HydrophobicContact CD1-CB 4.37Å; L112-I148 HydrophobicContact CD1-CG1 4.24Å; L112-L151 HydrophobicContact CD1-CB 4.38Å; L112-L151 HydrophobicContact CD1-CD1 4.09Å; L112-L151 HydrophobicContact CD2-CB 4.01Å; L112-L151 HydrophobicContact CD2-CD1 3.66Å; L112-C154 PolarHBondContact N-O 3.19Å; L112-T155 WeakPolarHBondContact O-CB 3.45Å; L112-T155 PolarHBondContact O-OG1 2.81Å
113R97Very high92.5Very high55 Ų5557.9 Ų57.921%0.20832%0.32CS..EExtended strand (participates in β ladder)trans-73.8114.7-177.3-178.3177.8-70153.53.3110.3Y111 E115 E124 P134 L136 T137 T138Y111-R113 HydrophobicContact CE1-CB 3.81Å; Y111-R113 HydrophobicContact CE1-CG 4.33Å; R113-E115 VanDerWaalsContact CD-OE1 3.25Å; R113-E115 WeakPolarHBondContact CD-OE1 3.46Å; R113-E124 WeakPolarHBondContact CD-OE1 3.3Å; R113-E124 WeakPolarHBondContact CG-OE1 3.45Å; R113-E124 IonicContact CZ-OE1 3.22Å; R113-E124 IonicContact CZ-OE2 2.61Å; R113-E124 VanDerWaalsContact NE-CD 3.31Å; R113-E124 IonicContact NE-OE1 3.83Å; R113-E124 PolarHBondContact NE-OE1 2.93Å; R113-E124 IonicContact NE-OE2 3.95Å; R113-E124 PolarHBondContact NE-OE2 3.08Å; R113-E124 IonicContact NH2-OE1 3.65Å; R113-E124 IonicContact NH2-OE2 3.75Å; R113-E124 PolarHBondContact NH2-OE2 3.38Å; R113-P134 HydrophobicContact CB-CB 3.94Å; R113-P134 HydrophobicContact CB-CG 3.74Å; R113-L136 PolarHBondContact N-O 2.79Å; R113-T137 HydrophobicContact CB-CG2 4.34Å; R113-T137 HydrophobicContact CG-CG2 4.23Å; R113-T137 WeakPolarHBondContact O-CA 3.32Å; R113-T138 PolarHBondContact O-N 2.77Å
114L97.1Very high92.4Very high1 Ų153.5 Ų53.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-98.2119.6164.6-17959.9000108.3L112 W116 T138 A141 T155 W156 L157L112-L114 PolarHBondContact O-N 2.68Å; L114-W116 HydrophobicContact CD2-CZ2 3.5Å; L114-W116 HydrophobicContact CG-CZ2 4.24Å; L114-W116 PolarHBondContact O-N 3.32Å; L114-W116 VanDerWaalsContact O-N 3.1Å; L114-T138 CarbonylContact C-O 3.52Å; L114-T138 WeakPolarHBondContact CA-O 3.28Å; L114-T138 HydrophobicContact CD1-CG2 4.22Å; L114-T138 WeakPolarHBondContact CD1-O 3.43Å; L114-A141 HydrophobicContact CD2-CB 3.82Å; L114-T155 WeakPolarHBondContact CB-OG1 3.46Å; L114-W156 WeakPolarHBondContact CD2-O 3.44Å; L114-L157 HydrophobicContact CD2-CD2 3.81Å
115E94.4Very high92Very high77 Ų7754.3 Ų54.336%0.3631%0.307SS..  trans-68.8104.4-175.5-69.2-66.5157.900111.5R113 T137 T138R113-E115 VanDerWaalsContact CD-OE1 3.25Å; R113-E115 WeakPolarHBondContact CD-OE1 3.46Å; E115-T137 HydrophobicContact CG-CG2 4.07Å; E115-T137 WeakPolarHBondContact OE1-CG2 3.29Å; E115-T138 PolarHBondContact N-O 2.82Å
116W93.6Very high91.7Very high7 Ų753.9 Ų53.93%0.02732%0.322CS..  trans-103.3-2.2176.5-73.6111.2000114.3L28 T77 F93 L95 L114 F120 W156 P158L28-W116 HydrophobicContact CD2-CZ3 4.1Å; T77-W116 HydrophobicContact CG2-CE3 4.44Å; T77-W116 PolarHBondContact OG1-O 2.89Å; F93-W116 HydrophobicContact CE2-CE3 4.23Å; F93-W116 HydrophobicContact CE2-CH2 4.27Å; F93-W116 AromaticContact CE2-CZ3 3.86Å; F93-W116 HydrophobicContact CE2-CZ3 3.86Å; F93-W116 HydrophobicContact CZ-CE3 4.16Å; F93-W116 AromaticContact CZ-CZ3 3.97Å; F93-W116 HydrophobicContact CZ-CZ3 3.97Å; L95-W116 HydrophobicContact CD1-CD2 4.05Å; L95-W116 HydrophobicContact CD1-CG 4.06Å; L95-W116 HydrophobicContact CD2-CD2 4.38Å; L95-W116 HydrophobicContact CD2-CH2 4.11Å; L95-W116 HydrophobicContact CD2-CZ2 3.63Å; L114-W116 HydrophobicContact CD2-CZ2 3.5Å; L114-W116 HydrophobicContact CG-CZ2 4.24Å; L114-W116 PolarHBondContact O-N 3.32Å; L114-W116 VanDerWaalsContact O-N 3.1Å; W116-F120 HydrophobicContact CB-CB 4.14Å; W116-F120 HydrophobicContact CB-CD1 4.45Å; W116-F120 HydrophobicContact CB-CD2 3.4Å; W116-F120 VanDerWaalsContact CB-CD2 3.4Å; W116-F120 HydrophobicContact CB-CE2 3.92Å; W116-F120 HydrophobicContact CB-CG 3.74Å; W116-F120 AromaticContact CD1-CE2 3.92Å; W116-F120 AromaticContact CD1-CZ 3.89Å; W116-F120 HydrophobicContact CG-CD2 4.06Å; W116-F120 HydrophobicContact CG-CE2 4.07Å; W116-F120 HydrophobicContact CG-CG 4.49Å; W116-F120 HydrophobicContact CG-CZ 4.48Å; W116-W156 PolarHBondContact NE1-O 3.16Å; W116-P158 HydrophobicContact CH2-CG 3.6Å; W116-P158 HydrophobicContact CZ2-CG 3.97Å
117G87.8Confident91.6Very high15 Ų1552.6 Ų52.616%0.15532%0.317CS..  trans130.9158.2-177.500000112D119 F120G117-D119 PolarHBondContact O-N 3.08Å; G117-F120 WeakPolarHBondContact O-CB 3.19Å; G117-F120 PolarHBondContact O-N 3.01Å
118P83.1Confident91.6Very high104 Ų10450.4 Ų50.468%0.67529%0.288SS*.G310 helixtrans-58.8-25.9178.223.6-36.6000114E78 F120E78-P118 WeakPolarHBondContact OE1-CD 3.35Å; E78-P118 WeakPolarHBondContact OE1-CG 3.47Å; P118-F120 PolarHBondContact O-N 2.69Å
119D85.9Confident91.4Very high67 Ų6747.3 Ų47.336%0.35828%0.279SS..G310 helixtrans-75.9-3.917772.8-2.3000114G117 R179G117-D119 PolarHBondContact O-N 3.08Å; D119-R179 IonicContact OD1-CZ 3.7Å; D119-R179 VanDerWaalsContact OD1-CZ 3.31Å; D119-R179 IonicContact OD1-NH1 3.48Å; D119-R179 PolarHBondContact OD1-NH1 2.81Å; D119-R179 IonicContact OD1-NH2 3.24Å; D119-R179 PolarHBondContact OD1-NH2 3.22Å; D119-R179 IonicContact OD2-CZ 2.92Å; D119-R179 IonicContact OD2-NH1 3.26Å; D119-R179 IonicContact OD2-NH2 2.81Å; D119-R179 PolarHBondContact OD2-NH2 2.78Å
120F91.3Very high90.8Very high3 Ų351.6 Ų51.61%0.01332%0.316CS..G310 helixtrans-79.9-20.2-173.4-157.5-93.4000113.5L95 W116 G117 P118 Q122 H123 E124 W156 L177 R179L95-F120 HydrophobicContact CD1-CE2 3.56Å; L95-F120 HydrophobicContact CD1-CZ 3.96Å; W116-F120 HydrophobicContact CB-CB 4.14Å; W116-F120 HydrophobicContact CB-CD1 4.45Å; W116-F120 HydrophobicContact CB-CD2 3.4Å; W116-F120 VanDerWaalsContact CB-CD2 3.4Å; W116-F120 HydrophobicContact CB-CE2 3.92Å; W116-F120 HydrophobicContact CB-CG 3.74Å; W116-F120 AromaticContact CD1-CE2 3.92Å; W116-F120 AromaticContact CD1-CZ 3.89Å; W116-F120 HydrophobicContact CG-CD2 4.06Å; W116-F120 HydrophobicContact CG-CE2 4.07Å; W116-F120 HydrophobicContact CG-CG 4.49Å; W116-F120 HydrophobicContact CG-CZ 4.48Å; G117-F120 WeakPolarHBondContact O-CB 3.19Å; G117-F120 PolarHBondContact O-N 3.01Å; P118-F120 PolarHBondContact O-N 2.69Å; F120-Q122 PolarHBondContact O-N 3.02Å; F120-Q122 VanDerWaalsContact O-N 3.07Å; F120-H123 HydrophobicContact CD1-CB 4.33Å; F120-H123 AromaticContact CD2-CD2 3.93Å; F120-H123 HydrophobicContact CE1-CB 4.02Å; F120-H123 HydrophobicContact CE2-CB 4.45Å; F120-H123 HydrophobicContact CZ-CB 4.08Å; F120-H123 WeakPolarHBondContact O-CB 3.32Å; F120-H123 PolarHBondContact O-N 3.22Å; F120-E124 HydrophobicContact CD1-CG 4.34Å; F120-W156 HydrophobicContact CE1-CB 4.26Å; F120-W156 AromaticContact CE1-CD1 3.45Å; F120-W156 VanDerWaalsContact CE1-CD1 3.45Å; F120-W156 AromaticContact CE1-CG 3.87Å; F120-W156 HydrophobicContact CE1-CG 3.87Å; F120-W156 AromaticContact CE1-NE1 3.92Å; F120-W156 HydrophobicContact CZ-CB 3.91Å; F120-W156 AromaticContact CZ-CD1 3.7Å; F120-W156 HydrophobicContact CZ-CD2 4.11Å; F120-W156 AromaticContact CZ-CG 3.64Å; F120-W156 HydrophobicContact CZ-CG 3.64Å; F120-L177 HydrophobicContact CE2-CD1 4.06Å; F120-L177 HydrophobicContact CZ-CD1 3.83Å; F120-R179 VanDerWaalsContact CD2-NH1 3.32Å
121Q87.4Confident90.2Very high139 Ų13956.3 Ų56.365%0.6534%0.341SS*.G310 helixtrans-53.9-35-174.6-171.1179.65.700113.3H123 E124Q121-H123 PolarHBondContact O-N 2.84Å; Q121-H123 VanDerWaalsContact O-N 3.16Å; Q121-E124 WeakPolarHBondContact O-CB 3.35Å; Q121-E124 PolarHBondContact O-N 2.76Å
122Q89Confident89.9Confident136 Ų13661.9 Ų61.964%0.63637%0.367SS*.G310 helixtrans-60.9-24.9177.467.5-176-15.300113.6F120 E124F120-Q122 PolarHBondContact O-N 3.02Å; F120-Q122 VanDerWaalsContact O-N 3.07Å; Q122-E124 VanDerWaalsContact C-N 3.31Å
123H89.9Confident89.5Confident53 Ų5367.8 Ų67.825%0.24540%0.403CS..G310 helixtrans-87.4-1.7179.6-58.3-58.7000113.3F120 Q121 L177F120-H123 HydrophobicContact CD1-CB 4.33Å; F120-H123 AromaticContact CD2-CD2 3.93Å; F120-H123 HydrophobicContact CE1-CB 4.02Å; F120-H123 HydrophobicContact CE2-CB 4.45Å; F120-H123 HydrophobicContact CZ-CB 4.08Å; F120-H123 WeakPolarHBondContact O-CB 3.32Å; F120-H123 PolarHBondContact O-N 3.22Å; Q121-H123 PolarHBondContact O-N 2.84Å; Q121-H123 VanDerWaalsContact O-N 3.16Å; H123-L177 HydrophobicContact CB-CD1 3.65Å
124E90.5Very high89.3Confident12 Ų1265.6 Ų65.66%0.05640%0.396CS..G310 helixtrans-92.7-8.3175.5-52.3-174.816700112.2Y111 R113 F120 Q121 Q122 G126 L127 I128Y111-E124 HydrophobicContact CE1-CB 4.12Å; Y111-E124 VanDerWaalsContact CE1-CD 3.45Å; Y111-E124 HydrophobicContact CE1-CG 3.75Å; Y111-E124 WeakPolarHBondContact OH-CG 3.43Å; Y111-E124 PolarHBondContact OH-OE1 2.95Å; Y111-E124 VanDerWaalsContact OH-OE1 3.07Å; R113-E124 WeakPolarHBondContact CD-OE1 3.3Å; R113-E124 WeakPolarHBondContact CG-OE1 3.45Å; R113-E124 IonicContact CZ-OE1 3.22Å; R113-E124 IonicContact CZ-OE2 2.61Å; R113-E124 VanDerWaalsContact NE-CD 3.31Å; R113-E124 IonicContact NE-OE1 3.83Å; R113-E124 PolarHBondContact NE-OE1 2.93Å; R113-E124 IonicContact NE-OE2 3.95Å; R113-E124 PolarHBondContact NE-OE2 3.08Å; R113-E124 IonicContact NH2-OE1 3.65Å; R113-E124 IonicContact NH2-OE2 3.75Å; R113-E124 PolarHBondContact NH2-OE2 3.38Å; F120-E124 HydrophobicContact CD1-CG 4.34Å; Q121-E124 WeakPolarHBondContact O-CB 3.35Å; Q121-E124 PolarHBondContact O-N 2.76Å; Q122-E124 VanDerWaalsContact C-N 3.31Å; E124-G126 PolarHBondContact O-N 3.48Å; E124-L127 WeakPolarHBondContact O-CB 3.47Å; E124-L127 PolarHBondContact O-N 3.01Å; E124-I128 HydrophobicContact CB-CG2 4.22Å; E124-I128 PolarHBondContact O-N 3.38Å
125A86.7Confident89.2Confident82 Ų8270.7 Ų70.768%0.67842%0.422SS*.BIsolated β-bridgetrans-56.3124.1177.600000111L127A125-L127 VanDerWaalsContact C-N 3.3Å
126G87.3Confident89.3Confident71 Ų7168.6 Ų68.673%0.73241%0.413SS*.THydrogen-bonded Turntrans82.5-1.6-177.600000115.2E124E124-G126 PolarHBondContact O-N 3.48Å
127L91.8Very high89.5Confident20 Ų2071.4 Ų71.411%0.10543%0.431CS..THydrogen-bonded Turntrans-96.9-27.1168.4-61.2177.5000112.2L97 K106 Y111 E124 A125 W156L97-L127 HydrophobicContact CD1-CD1 3.97Å; L97-L127 HydrophobicContact CD2-CD1 4.29Å; L97-L127 HydrophobicContact CD2-CD2 3.55Å; K106-L127 HydrophobicContact CB-CD2 4.02Å; K106-L127 HydrophobicContact CD-CD2 3.62Å; K106-L127 HydrophobicContact CG-CD2 3.6Å; Y111-L127 WeakPolarHBondContact CB-O 3.44Å; Y111-L127 HydrophobicContact CD2-CB 3.92Å; Y111-L127 HydrophobicContact CD2-CD1 3.76Å; Y111-L127 HydrophobicContact CD2-CG 4.43Å; Y111-L127 HydrophobicContact CE2-CD1 3.79Å; Y111-L127 HydrophobicContact CG-CB 3.89Å; E124-L127 WeakPolarHBondContact O-CB 3.47Å; E124-L127 PolarHBondContact O-N 3.01Å; A125-L127 VanDerWaalsContact C-N 3.3Å; L127-W156 HydrophobicContact CD1-CZ2 4.32Å
128I91.3Very high89.9Confident31 Ų3171.7 Ų71.716%0.15943%0.43CS..BIsolated β-bridgetrans-148.5148179.8-172.2163000109.3Y111 E124 E132 P134Y111-I128 HydrophobicContact CD1-CB 4.16Å; Y111-I128 HydrophobicContact CD1-CG2 3.9Å; E124-I128 HydrophobicContact CB-CG2 4.22Å; E124-I128 PolarHBondContact O-N 3.38Å; I128-E132 HydrophobicContact CD1-CB 3.98Å; I128-E132 HydrophobicContact CG1-CB 3.56Å; I128-P134 HydrophobicContact CD1-CB 4.1Å; I128-P134 HydrophobicContact CD1-CG 3.71Å; I128-P134 VanDerWaalsContact CD1-N 3.3Å
129G87.3Confident90.6Very high32 Ų3269.1 Ų69.133%0.3342%0.415SS..  trans-61.8150174.600000112D131 E132G129-D131 PolarHBondContact O-N 2.87Å; G129-E132 PolarHBondContact N-OE2 2.83Å; G129-E132 PolarHBondContact O-N 3.24Å
130A83.3Confident91.1Very high102 Ų10266.8 Ų66.884%0.84340%0.404SS*.THydrogen-bonded Turntrans-59.6-30.8-176.100000113.7
131D85.6Confident91.5Very high167 Ų16766.7 Ų66.789%0.89340%0.403SS*.THydrogen-bonded Turntrans-1034.3179.5-59.5-48.9000113G129G129-D131 PolarHBondContact O-N 2.87Å
132E89.5Confident91.9Very high126 Ų12662.3 Ų62.359%0.58938%0.382SS*.PPolyproline II helixtrans-89.9148.8-179.9-69.5-177.8155.400111.5I128 G129I128-E132 HydrophobicContact CD1-CB 3.98Å; I128-E132 HydrophobicContact CG1-CB 3.56Å; G129-E132 PolarHBondContact N-OE2 2.83Å; G129-E132 PolarHBondContact O-N 3.24Å
133V89.6Confident92.4Very high123 Ų12359.1 Ų59.175%0.74537%0.37SS*.PPolyproline II helixtrans-103.2131.3175.5-177.90000108.9
134P93.5Very high92.7Very high10 Ų1056.6 Ų56.67%0.06536%0.358CS..PPolyproline II helixtrans-57.4140.9176.2-22.330.6000111.7Y111 R113 I128 L136Y111-P134 HydrophobicContact CD1-CG 4.31Å; Y111-P134 HydrophobicContact CE1-CG 4.5Å; R113-P134 HydrophobicContact CB-CB 3.94Å; R113-P134 HydrophobicContact CB-CG 3.74Å; I128-P134 HydrophobicContact CD1-CB 4.1Å; I128-P134 HydrophobicContact CD1-CG 3.71Å; I128-P134 VanDerWaalsContact CD1-N 3.3Å; P134-L136 WeakPolarHBondContact CB-O 3.14Å; P134-L136 PolarHBondContact O-N 2.93Å
135I94.2Very high93.1Very high107 Ų10758.2 Ų58.255%0.54937%0.366SS..SBendtrans-60.4-28.6177.2-67.4165.1000111.4N110 L151N110-I135 HydrophobicContact CB-CD1 3.83Å; N110-I135 VanDerWaalsContact CG-CD1 3.46Å; I135-L151 HydrophobicContact CG2-CD1 4.35Å; I135-L151 HydrophobicContact CG2-CD2 4.33Å
136L97.6Very high93.6Very high34 Ų3460.1 Ų60.118%0.17836%0.36CS..EExtended strand (participates in β ladder)trans-135.6133.6172.4177.764.8000109.4L112 R113 P134 T138 L143 Q147 L151L112-L136 HydrophobicContact CB-CB 4.31Å; L112-L136 HydrophobicContact CB-CD2 4.43Å; L112-L136 HydrophobicContact CD1-CD2 4.31Å; L112-L136 HydrophobicContact CD2-CB 4Å; R113-L136 PolarHBondContact N-O 2.79Å; P134-L136 WeakPolarHBondContact CB-O 3.14Å; P134-L136 PolarHBondContact O-N 2.93Å; L136-T138 HydrophobicContact CD2-CG2 4.29Å; L136-T138 HydrophobicContact CG-CG2 4.32Å; L136-L143 HydrophobicContact CD1-CD2 4.03Å; L136-L143 HydrophobicContact CD2-CD2 3.75Å; L136-L143 HydrophobicContact CG-CD2 4.44Å; L136-Q147 HydrophobicContact CD2-CB 3.87Å; L136-Q147 HydrophobicContact CD2-CG 3.98Å; L136-L151 HydrophobicContact CB-CD1 4.11Å; L136-L151 HydrophobicContact CD2-CD1 4.31Å
137T96.7Very high94.1Very high66 Ų6659.2 Ų59.241%0.40534%0.337SS..EExtended strand (participates in β ladder)trans-124.9125.7165.5-61.70000108.3R113 E115R113-T137 HydrophobicContact CB-CG2 4.34Å; R113-T137 HydrophobicContact CG-CG2 4.23Å; R113-T137 WeakPolarHBondContact O-CA 3.32Å; E115-T137 HydrophobicContact CG-CG2 4.07Å; E115-T137 WeakPolarHBondContact OE1-CG2 3.29Å
138T97.2Very high94.4Very high20 Ų2058.3 Ų58.312%0.12333%0.332CS..EExtended strand (participates in β ladder)trans-149.6157.4-177.3-177.30000111R113 L114 E115 L136 S140 L143 A144R113-T138 PolarHBondContact O-N 2.77Å; L114-T138 CarbonylContact C-O 3.52Å; L114-T138 WeakPolarHBondContact CA-O 3.28Å; L114-T138 HydrophobicContact CD1-CG2 4.22Å; L114-T138 WeakPolarHBondContact CD1-O 3.43Å; E115-T138 PolarHBondContact N-O 2.82Å; L136-T138 HydrophobicContact CD2-CG2 4.29Å; L136-T138 HydrophobicContact CG-CG2 4.32Å; T138-S140 WeakPolarHBondContact CG2-O 3.17Å; T138-S140 PolarHBondContact OG1-N 3.25Å; T138-S140 VanDerWaalsContact OG1-N 3.12Å; T138-L143 HydrophobicContact CG2-CD2 4.15Å; T138-A144 HydrophobicContact CG2-CB 3.86Å
139S96.2Very high94.6Very high51 Ų5160 Ų6036%0.35735%0.351SS..SBendtrans-98-5169.160.80000113.2A26 S27A26-S139 WeakPolarHBondContact CB-O 3.4Å; S27-S139 WeakPolarHBondContact CA-O 3.42Å; S27-S139 VanDerWaalsContact CB-O 3.27Å; S27-S139 WeakPolarHBondContact CB-O 3.34Å; S27-S139 PolarHBondContact N-O 3.3Å
140S98Very high95.1Very high18 Ų1864.9 Ų64.913%0.12637%0.367CS..  trans-98119-179.8171.10000110.6E30 T138 L143 A144E30-S140 VanDerWaalsContact CD-OG 3.28Å; E30-S140 VanDerWaalsContact OE1-CB 3.3Å; E30-S140 WeakPolarHBondContact OE1-CB 3.48Å; E30-S140 PolarHBondContact OE1-OG 3.1Å; E30-S140 WeakPolarHBondContact OE2-CA 3.43Å; E30-S140 PolarHBondContact OE2-OG 2.95Å; T138-S140 WeakPolarHBondContact CG2-O 3.17Å; T138-S140 PolarHBondContact OG1-N 3.25Å; T138-S140 VanDerWaalsContact OG1-N 3.12Å; S140-L143 WeakPolarHBondContact OG-CB 3.42Å; S140-L143 PolarHBondContact OG-N 3.19Å; S140-L143 VanDerWaalsContact OG-N 3.09Å; S140-A144 WeakPolarHBondContact O-CB 3.34Å; S140-A144 PolarHBondContact O-N 3.48Å
141A98Very high95.8Very high0 Ų062.2 Ų62.20%034%0.338CS..Hα-helixtrans-68-36.2174.100000111.4E30 C31 L114 A144 Q145 L157 W161E30-A141 WeakPolarHBondContact OE2-CA 3.31Å; E30-A141 PolarHBondContact OE2-N 2.7Å; C31-A141 WeakPolarHBondContact SG-CB 3.25Å; L114-A141 HydrophobicContact CD2-CB 3.82Å; A141-A144 PolarHBondContact O-N 2.85Å; A141-Q145 WeakPolarHBondContact O-CB 3.21Å; A141-Q145 PolarHBondContact O-N 2.92Å; A141-L157 HydrophobicContact CB-CD2 4.07Å; A141-W161 HydrophobicContact CB-CH2 4.02Å; A141-W161 HydrophobicContact CB-CZ2 4.24Å; A141-W161 HydrophobicContact CB-CZ3 4.34Å
142E97.5Very high96.3Very high47 Ų4757.5 Ų57.522%0.2231%0.313CS..Hα-helixtrans-61.2-48.7174.2-66.2-72.417600111.2E30 Q145 Q146 W161 K165E30-E142 HydrophobicContact CB-CG 4.11Å; E30-E142 HydrophobicContact CG-CG 3.85Å; E30-E142 PolarHBondContact OE2-N 2.84Å; E142-Q145 PolarHBondContact O-N 3.48Å; E142-Q146 VanDerWaalsContact O-CG 3.32Å; E142-Q146 WeakPolarHBondContact O-CG 3.35Å; E142-Q146 PolarHBondContact O-N 2.86Å; E142-W161 HydrophobicContact CG-CZ2 4.14Å; E142-W161 WeakPolarHBondContact OE1-CZ2 3.2Å; E142-K165 WeakPolarHBondContact OE1-CE 3.28Å; E142-K165 IonicContact OE1-NZ 2.69Å; E142-K165 PolarHBondContact OE1-NZ 2.9Å; E142-K165 WeakPolarHBondContact OE2-CE 3.44Å; E142-K165 IonicContact OE2-NZ 2.69Å; E142-K165 PolarHBondContact OE2-NZ 3.47Å
143L97.9Very high96.7Very high70 Ų7051.5 Ų51.537%0.36629%0.285SS..Hα-helixtrans-60.6-50.3177-170.5159.9000110L136 T138 S140 Q145 Q146 Q147L136-L143 HydrophobicContact CD1-CD2 4.03Å; L136-L143 HydrophobicContact CD2-CD2 3.75Å; L136-L143 HydrophobicContact CG-CD2 4.44Å; T138-L143 HydrophobicContact CG2-CD2 4.15Å; S140-L143 WeakPolarHBondContact OG-CB 3.42Å; S140-L143 PolarHBondContact OG-N 3.19Å; S140-L143 VanDerWaalsContact OG-N 3.09Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.43Å; L143-Q146 PolarHBondContact O-N 3.33Å; L143-Q147 HydrophobicContact CD2-CG 3.91Å; L143-Q147 VanDerWaalsContact O-CG 3.32Å; L143-Q147 WeakPolarHBondContact O-CG 3.36Å; L143-Q147 PolarHBondContact O-N 2.8Å; L143-Q147 VanDerWaalsContact O-N 3.14Å
144A98Very high97.1Very high0 Ų045.7 Ų45.70%025%0.249CC..Hα-helixtrans-55.1-49.4179.100000110.9T138 S140 A141 Q146 Q147 I148 T155T138-A144 HydrophobicContact CG2-CB 3.86Å; S140-A144 WeakPolarHBondContact O-CB 3.34Å; S140-A144 PolarHBondContact O-N 3.48Å; A141-A144 PolarHBondContact O-N 2.85Å; A144-Q146 PolarHBondContact O-N 3.3Å; A144-Q147 PolarHBondContact O-N 3.07Å; A144-Q147 VanDerWaalsContact O-N 3.1Å; A144-I148 WeakPolarHBondContact O-CG1 3.33Å; A144-I148 PolarHBondContact O-N 2.86Å; A144-I148 VanDerWaalsContact O-N 3.09Å; A144-T155 HydrophobicContact CB-CG2 4.11Å
145Q97.5Very high97.3Very high46 Ų4645.2 Ų45.222%0.21525%0.246CC..Hα-helixtrans-55.9-44.8178.9-176.8-80.2-31.300112.9A141 E142 L143 Q147 I148 W161 L168A141-Q145 WeakPolarHBondContact O-CB 3.21Å; A141-Q145 PolarHBondContact O-N 2.92Å; E142-Q145 PolarHBondContact O-N 3.48Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.43Å; Q145-Q147 VanDerWaalsContact C-N 3.28Å; Q145-Q147 PolarHBondContact O-N 3.02Å; Q145-I148 PolarHBondContact O-N 3.04Å; Q145-W161 HydrophobicContact CB-CH2 3.82Å; Q145-W161 HydrophobicContact CB-CZ3 4.26Å; Q145-W161 HydrophobicContact CG-CH2 4.12Å; Q145-W161 HydrophobicContact CG-CZ3 4.38Å; Q145-L168 HydrophobicContact CG-CD1 3.95Å; Q145-L168 HydrophobicContact CG-CD2 4.11Å; Q145-L168 HydrophobicContact CG-CG 4.31Å
146Q96.9Very high97.5Very high122 Ų12240.4 Ų40.457%0.5722%0.221SC*.Hα-helixtrans-66.9-30.2179.4-71173.40.900112.7E142 L143 A144E142-Q146 VanDerWaalsContact O-CG 3.32Å; E142-Q146 WeakPolarHBondContact O-CG 3.35Å; E142-Q146 PolarHBondContact O-N 2.86Å; L143-Q146 PolarHBondContact O-N 3.33Å; A144-Q146 PolarHBondContact O-N 3.3Å
147Q97.9Very high97.5Very high51 Ų5138.8 Ų38.824%0.23821%0.213CC..Hα-helixtrans-85.5-17.8-179.6-60.6-53.2-55.700113.6L112 L136 L143 A144 Q145 A149 M150 L151L112-Q147 HydrophobicContact CD1-CB 4.37Å; L136-Q147 HydrophobicContact CD2-CB 3.87Å; L136-Q147 HydrophobicContact CD2-CG 3.98Å; L143-Q147 HydrophobicContact CD2-CG 3.91Å; L143-Q147 VanDerWaalsContact O-CG 3.32Å; L143-Q147 WeakPolarHBondContact O-CG 3.36Å; L143-Q147 PolarHBondContact O-N 2.8Å; L143-Q147 VanDerWaalsContact O-N 3.14Å; A144-Q147 PolarHBondContact O-N 3.07Å; A144-Q147 VanDerWaalsContact O-N 3.1Å; Q145-Q147 VanDerWaalsContact C-N 3.28Å; Q145-Q147 PolarHBondContact O-N 3.02Å; Q147-A149 VanDerWaalsContact C-N 3.33Å; Q147-A149 PolarHBondContact O-N 2.93Å; Q147-M150 PolarHBondContact O-N 3.41Å; Q147-L151 HydrophobicContact CB-CD1 3.84Å; Q147-L151 HydrophobicContact CB-CG 4.27Å; Q147-L151 WeakPolarHBondContact O-CB 3.49Å; Q147-L151 WeakPolarHBondContact O-CG 3.43Å; Q147-L151 PolarHBondContact O-N 3.27Å
148I97.8Very high97.5Very high1 Ų135.7 Ų35.71%0.00519%0.194CC..Hα-helixtrans-49.3-51.2-177.8-73.8172.8000111.8L112 A144 Q145 N152 G153 T155 L157 L168L112-I148 HydrophobicContact CD1-CG1 4.24Å; A144-I148 WeakPolarHBondContact O-CG1 3.33Å; A144-I148 PolarHBondContact O-N 2.86Å; A144-I148 VanDerWaalsContact O-N 3.09Å; Q145-I148 PolarHBondContact O-N 3.04Å; I148-N152 PolarHBondContact O-N 3.4Å; I148-G153 WeakPolarHBondContact CG2-O 3.47Å; I148-G153 PolarHBondContact O-N 3.32Å; I148-T155 HydrophobicContact CD1-CG2 3.67Å; I148-T155 HydrophobicContact CG1-CG2 3.96Å; I148-L157 HydrophobicContact CD1-CD1 4.15Å; I148-L168 HydrophobicContact CD1-CD2 3.63Å
149A96.9Very high97.5Very high66 Ų6636.2 Ų36.255%0.54520%0.197SC..Hα-helixtrans-68.3-44.8-175.600000112S100 Q147 L151 N152S100-A149 WeakPolarHBondContact OG-CA 3.49Å; Q147-A149 VanDerWaalsContact C-N 3.33Å; Q147-A149 PolarHBondContact O-N 2.93Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-L151 PolarHBondContact O-N 2.91Å; A149-N152 PolarHBondContact O-N 2.98Å
150M97.3Very high97.4Very high136 Ų13635.2 Ų35.267%0.6719%0.19SC*.Hα-helixtrans-64.8-37.4-177.7-167.2-170.4-31.500112.2Q147Q147-M150 PolarHBondContact O-N 3.41Å
151L97.6Very high97.3Very high45 Ų4535 Ų3524%0.23619%0.187CC..THydrogen-bonded Turntrans-93.16.5-177.4-59.2-179.9000113.2N110 L112 I135 L136 Q147 A149 G153N110-L151 PolarHBondContact ND2-O 3.07Å; L112-L151 HydrophobicContact CD1-CB 4.38Å; L112-L151 HydrophobicContact CD1-CD1 4.09Å; L112-L151 HydrophobicContact CD2-CB 4.01Å; L112-L151 HydrophobicContact CD2-CD1 3.66Å; I135-L151 HydrophobicContact CG2-CD1 4.35Å; I135-L151 HydrophobicContact CG2-CD2 4.33Å; L136-L151 HydrophobicContact CB-CD1 4.11Å; L136-L151 HydrophobicContact CD2-CD1 4.31Å; Q147-L151 HydrophobicContact CB-CD1 3.84Å; Q147-L151 HydrophobicContact CB-CG 4.27Å; Q147-L151 WeakPolarHBondContact O-CB 3.49Å; Q147-L151 WeakPolarHBondContact O-CG 3.43Å; Q147-L151 PolarHBondContact O-N 3.27Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-L151 PolarHBondContact O-N 2.91Å; L151-G153 PolarHBondContact O-N 3.28Å
152N97.1Very high97.3Very high68 Ų6835.2 Ų35.236%0.36419%0.188SC..THydrogen-bonded Turntrans45.449.1-170.4-176.355.8000111D108 L109 N110 I148 A149D108-N152 PolarHBondContact O-ND2 3.25Å; L109-N152 WeakPolarHBondContact CA-O 2.8Å; N110-N152 PolarHBondContact N-O 3.38Å; I148-N152 PolarHBondContact O-N 3.4Å; A149-N152 PolarHBondContact O-N 2.98Å
153G97.6Very high97.1Very high0 Ų042.1 Ų42.10%021%0.212CC..EExtended strand (participates in β ladder)trans-103172.6-16300000115.1T99 N110 I148 L151T99-G153 WeakPolarHBondContact CB-O 3.43Å; T99-G153 PolarHBondContact OG1-O 3.02Å; N110-G153 CarbonylContact O-C 3.57Å; N110-G153 WeakPolarHBondContact O-CA 3.35Å; I148-G153 WeakPolarHBondContact CG2-O 3.47Å; I148-G153 PolarHBondContact O-N 3.32Å; L151-G153 PolarHBondContact O-N 3.28Å
154C97.8Very high96.9Very high1 Ų143.9 Ų43.91%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-137151.2162.365.30000111.4L97 Y98 L109 N110 L112 V171L97-C154 HydrophobicContact CD1-CB 4.06Å; L97-C154 HydrophobicContact CD2-CB 4.22Å; L97-C154 HydrophobicContact CG-CB 3.95Å; Y98-C154 WeakPolarHBondContact O-CA 3.49Å; L109-C154 HydrophobicContact CB-CB 4.2Å; L109-C154 HydrophobicContact CD1-CB 3.78Å; N110-C154 PolarHBondContact O-N 3.14Å; L112-C154 PolarHBondContact N-O 3.19Å; C154-V171 HydrophobicContact CB-CG2 3.97Å
155T97.8Very high96.5Very high0 Ų048 Ų480%024%0.235CC..EExtended strand (participates in β ladder)trans-153.3156.9177-170.90000111.6Y98 L112 L114 A144 I148 L157Y98-T155 PolarHBondContact N-O 2.81Å; Y98-T155 PolarHBondContact O-N 3.1Å; L112-T155 WeakPolarHBondContact O-CB 3.45Å; L112-T155 PolarHBondContact O-OG1 2.81Å; L114-T155 WeakPolarHBondContact CB-OG1 3.46Å; A144-T155 HydrophobicContact CB-CG2 4.11Å; I148-T155 HydrophobicContact CD1-CG2 3.67Å; I148-T155 HydrophobicContact CG1-CG2 3.96Å; T155-L157 HydrophobicContact CG2-CD1 3.99Å; T155-L157 HydrophobicContact CG2-CD2 4.03Å; T155-L157 HydrophobicContact CG2-CG 3.9Å
156W97.8Very high96.1Very high7 Ų747.8 Ų47.83%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-83116.5-179.8-71.9101000110.4L95 A96 L97 Y111 L114 W116 F120 L127 T175 L177L95-W156 HydrophobicContact CB-CE3 4.01Å; A96-W156 WeakPolarHBondContact O-CA 3.35Å; L97-W156 HydrophobicContact CB-CD2 4.4Å; L97-W156 HydrophobicContact CB-CE3 4.32Å; L97-W156 HydrophobicContact CB-CH2 4.42Å; L97-W156 HydrophobicContact CB-CZ3 4.33Å; L97-W156 HydrophobicContact CD1-CD2 4.12Å; L97-W156 HydrophobicContact CD1-CG 4.14Å; Y111-W156 AromaticContact CE2-CD1 3.88Å; L114-W156 WeakPolarHBondContact CD2-O 3.44Å; W116-W156 PolarHBondContact NE1-O 3.16Å; F120-W156 HydrophobicContact CE1-CB 4.26Å; F120-W156 AromaticContact CE1-CD1 3.45Å; F120-W156 VanDerWaalsContact CE1-CD1 3.45Å; F120-W156 AromaticContact CE1-CG 3.87Å; F120-W156 HydrophobicContact CE1-CG 3.87Å; F120-W156 AromaticContact CE1-NE1 3.92Å; F120-W156 HydrophobicContact CZ-CB 3.91Å; F120-W156 AromaticContact CZ-CD1 3.7Å; F120-W156 HydrophobicContact CZ-CD2 4.11Å; F120-W156 AromaticContact CZ-CG 3.64Å; F120-W156 HydrophobicContact CZ-CG 3.64Å; L127-W156 HydrophobicContact CD1-CZ2 4.32Å; W156-T175 WeakPolarHBondContact CH2-O 3.45Å; W156-T175 WeakPolarHBondContact CZ3-O 3.49Å; W156-L177 HydrophobicContact CD2-CD1 4.05Å; W156-L177 HydrophobicContact CE3-CD1 3.89Å; W156-L177 HydrophobicContact CE3-CG 4.28Å; W156-L177 HydrophobicContact CH2-CD1 3.7Å; W156-L177 HydrophobicContact CH2-CD2 4.48Å; W156-L177 HydrophobicContact CH2-CG 3.78Å; W156-L177 HydrophobicContact CZ2-CD1 3.85Å; W156-L177 HydrophobicContact CZ2-CG 4.41Å; W156-L177 HydrophobicContact CZ3-CD1 3.72Å; W156-L177 HydrophobicContact CZ3-CG 3.7Å
157L98.3Very high95.9Very high0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-126.7150.3-178.1-58.5164.9000110.9L95 A96 Y98 L114 A141 I148 T155 V159 W161 A162 L168L95-L157 WeakPolarHBondContact CA-O 3.47Å; L95-L157 VanDerWaalsContact CD2-C 3.47Å; A96-L157 PolarHBondContact N-O 2.87Å; A96-L157 PolarHBondContact O-N 3.22Å; Y98-L157 HydrophobicContact CD2-CB 3.86Å; Y98-L157 HydrophobicContact CD2-CD1 4.34Å; Y98-L157 HydrophobicContact CE2-CB 4.4Å; Y98-L157 HydrophobicContact CG-CD1 4.35Å; L114-L157 HydrophobicContact CD2-CD2 3.81Å; A141-L157 HydrophobicContact CB-CD2 4.07Å; I148-L157 HydrophobicContact CD1-CD1 4.15Å; T155-L157 HydrophobicContact CG2-CD1 3.99Å; T155-L157 HydrophobicContact CG2-CD2 4.03Å; T155-L157 HydrophobicContact CG2-CG 3.9Å; L157-V159 PolarHBondContact O-N 3.26Å; L157-W161 HydrophobicContact CB-CE3 4.37Å; L157-W161 HydrophobicContact CB-CZ3 4.43Å; L157-W161 HydrophobicContact CD1-CZ3 4.03Å; L157-W161 HydrophobicContact CD2-CE3 4.43Å; L157-W161 HydrophobicContact CD2-CZ3 3.83Å; L157-W161 HydrophobicContact CG-CZ3 4.3Å; L157-A162 HydrophobicContact CB-CB 4.42Å; L157-L168 HydrophobicContact CD1-CD1 3.89Å; L157-L168 HydrophobicContact CD1-CD2 4.21Å
158P97.4Very high95.8Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-63.2129173.8-22.236.1000110.5C31 F93 T94 L95 W116 S160 W161 A162C31-P158 HydrophobicContact CB-CG 3.82Å; F93-P158 HydrophobicContact CD2-CB 4.34Å; F93-P158 HydrophobicContact CD2-CG 4.33Å; F93-P158 HydrophobicContact CE2-CG 4.48Å; T94-P158 CarbonylContact O-C 3.6Å; T94-P158 WeakPolarHBondContact O-CA 3.36Å; L95-P158 HydrophobicContact CD2-CB 4.36Å; L95-P158 HydrophobicContact CD2-CG 3.85Å; W116-P158 HydrophobicContact CH2-CG 3.6Å; W116-P158 HydrophobicContact CZ2-CG 3.97Å; P158-S160 VanDerWaalsContact C-N 3.27Å; P158-S160 PolarHBondContact O-N 2.88Å; P158-W161 HydrophobicContact CB-CB 4.14Å; P158-W161 PolarHBondContact O-N 2.87Å; P158-W161 VanDerWaalsContact O-N 3.16Å; P158-A162 WeakPolarHBondContact O-CB 3.3Å; P158-A162 PolarHBondContact O-N 2.81Å
159V96.8Very high95.8Very high31 Ų3146.9 Ų46.919%0.18826%0.256CS..Hα-helixtrans-58.3-40.9-176.5170.70000111.7T94 A96 L157 R163T94-V159 HydrophobicContact CG2-CG2 3.95Å; T94-V159 PolarHBondContact O-N 3.08Å; A96-V159 HydrophobicContact CB-CG2 3.76Å; L157-V159 PolarHBondContact O-N 3.26Å; V159-R163 WeakPolarHBondContact O-CB 3.32Å; V159-R163 PolarHBondContact O-N 2.79Å
160S94.5Very high95.8Very high31 Ų3147.4 Ų47.422%0.21725%0.253CS..Hα-helixtrans-63.4-41.317954.20000112.5P158 E206P158-S160 VanDerWaalsContact C-N 3.27Å; P158-S160 PolarHBondContact O-N 2.88Å; S160-E206 WeakPolarHBondContact CB-OE1 3.5Å
161W95.8Very high95.8Very high14 Ų1441 Ų415%0.05322%0.222CC..Hα-helixtrans-72.4-46.6177.5179.882.5000112.1E30 C31 A141 E142 Q145 L157 P158 R163 K164 K165 L168E30-W161 PolarHBondContact O-NE1 2.92Å; C31-W161 VanDerWaalsContact CA-CD1 3.43Å; C31-W161 HydrophobicContact CB-CB 3.99Å; C31-W161 HydrophobicContact CB-CD2 4.47Å; C31-W161 HydrophobicContact CB-CG 3.88Å; C31-W161 VanDerWaalsContact SG-CD2 3.59Å; A141-W161 HydrophobicContact CB-CH2 4.02Å; A141-W161 HydrophobicContact CB-CZ2 4.24Å; A141-W161 HydrophobicContact CB-CZ3 4.34Å; E142-W161 HydrophobicContact CG-CZ2 4.14Å; E142-W161 WeakPolarHBondContact OE1-CZ2 3.2Å; Q145-W161 HydrophobicContact CB-CH2 3.82Å; Q145-W161 HydrophobicContact CB-CZ3 4.26Å; Q145-W161 HydrophobicContact CG-CH2 4.12Å; Q145-W161 HydrophobicContact CG-CZ3 4.38Å; L157-W161 HydrophobicContact CB-CE3 4.37Å; L157-W161 HydrophobicContact CB-CZ3 4.43Å; L157-W161 HydrophobicContact CD1-CZ3 4.03Å; L157-W161 HydrophobicContact CD2-CE3 4.43Å; L157-W161 HydrophobicContact CD2-CZ3 3.83Å; L157-W161 HydrophobicContact CG-CZ3 4.3Å; P158-W161 HydrophobicContact CB-CB 4.14Å; P158-W161 PolarHBondContact O-N 2.87Å; P158-W161 VanDerWaalsContact O-N 3.16Å; W161-R163 VanDerWaalsContact C-N 3.26Å; W161-R163 PolarHBondContact O-N 3.43Å; W161-K164 PolarHBondContact O-N 3.26Å; W161-K165 HydrophobicContact CD2-CG 4.22Å; W161-K165 HydrophobicContact CE3-CG 4.33Å; W161-K165 HydrophobicContact CH2-CG 4.18Å; W161-K165 HydrophobicContact CZ2-CD 4.2Å; W161-K165 VanDerWaalsContact CZ2-CE 3.43Å; W161-K165 HydrophobicContact CZ2-CG 4.08Å; W161-K165 HydrophobicContact CZ3-CG 4.29Å; W161-K165 PolarHBondContact O-N 2.89Å; W161-L168 HydrophobicContact CZ3-CD1 4.41Å
162A96.5Very high95.7Very high4 Ų443.2 Ų43.23%0.03324%0.237CC..Hα-helixtrans-60.9-35.8-179.700000112.3Y98 L157 P158 K164 K165 L168Y98-A162 HydrophobicContact CD1-CB 4.25Å; Y98-A162 HydrophobicContact CD2-CB 4Å; Y98-A162 HydrophobicContact CE1-CB 3.82Å; Y98-A162 HydrophobicContact CE2-CB 3.53Å; Y98-A162 HydrophobicContact CG-CB 4.33Å; Y98-A162 VanDerWaalsContact CZ-CB 3.44Å; L157-A162 HydrophobicContact CB-CB 4.42Å; P158-A162 WeakPolarHBondContact O-CB 3.3Å; P158-A162 PolarHBondContact O-N 2.81Å; A162-K164 VanDerWaalsContact C-N 3.26Å; A162-K164 PolarHBondContact O-N 2.82Å; A162-K165 PolarHBondContact O-N 2.79Å; A162-L168 HydrophobicContact CB-CD1 3.82Å
163R93.9Very high95.4Very high192 Ų19243.6 Ų43.673%0.72524%0.239SC*.Hα-helixtrans-59.1-35.5175-171.6-175.3-56.1-128.80.7112.9V159 W161V159-R163 WeakPolarHBondContact O-CB 3.32Å; V159-R163 PolarHBondContact O-N 2.79Å; W161-R163 VanDerWaalsContact C-N 3.26Å; W161-R163 PolarHBondContact O-N 3.43Å
164K93Very high95.1Very high106 Ų10645 Ų4546%0.46125%0.249SC..Hα-helixtrans-79.6-24.1-178.1-65178.1-177.3-175.50112.8W161 A162W161-K164 PolarHBondContact O-N 3.26Å; A162-K164 VanDerWaalsContact C-N 3.26Å; A162-K164 PolarHBondContact O-N 2.82Å
165K90.7Very high94.9Very high87 Ų8749.4 Ų49.438%0.37828%0.276SS..Hα-helixtrans-77.2-34.6-176.1-74.9-74.2173.4171.80114.1E142 W161 A162 L168E142-K165 WeakPolarHBondContact OE1-CE 3.28Å; E142-K165 IonicContact OE1-NZ 2.69Å; E142-K165 PolarHBondContact OE1-NZ 2.9Å; E142-K165 WeakPolarHBondContact OE2-CE 3.44Å; E142-K165 IonicContact OE2-NZ 2.69Å; E142-K165 PolarHBondContact OE2-NZ 3.47Å; W161-K165 HydrophobicContact CD2-CG 4.22Å; W161-K165 HydrophobicContact CE3-CG 4.33Å; W161-K165 HydrophobicContact CH2-CG 4.18Å; W161-K165 HydrophobicContact CZ2-CD 4.2Å; W161-K165 VanDerWaalsContact CZ2-CE 3.43Å; W161-K165 HydrophobicContact CZ2-CG 4.08Å; W161-K165 HydrophobicContact CZ3-CG 4.29Å; W161-K165 PolarHBondContact O-N 2.89Å; A162-K165 PolarHBondContact O-N 2.79Å; K165-L168 HydrophobicContact CB-CD1 4.19Å
166G87.9Confident94.8Very high42 Ų4253.9 Ų53.943%0.43330%0.303SS..  trans69.5164.7-16900000112.7L168G166-L168 PolarHBondContact O-N 3.06Å; G166-L168 VanDerWaalsContact O-N 3.13Å
167G92.6Very high94.7Very high57 Ų5754.7 Ų54.759%0.58831%0.308SS*.SBendtrans68.47.9179.400000115.7
168L97.2Very high94.6Very high21 Ų2158.5 Ų58.511%0.1133%0.334CS..  trans-109.6131.6177.1-71.6172.4000110.4Y98 Q145 I148 L157 W161 A162 K165 G166Y98-L168 HydrophobicContact CD1-CB 3.71Å; Y98-L168 HydrophobicContact CE1-CB 4.29Å; Y98-L168 HydrophobicContact CG-CB 4.36Å; Q145-L168 HydrophobicContact CG-CD1 3.95Å; Q145-L168 HydrophobicContact CG-CD2 4.11Å; Q145-L168 HydrophobicContact CG-CG 4.31Å; I148-L168 HydrophobicContact CD1-CD2 3.63Å; L157-L168 HydrophobicContact CD1-CD1 3.89Å; L157-L168 HydrophobicContact CD1-CD2 4.21Å; W161-L168 HydrophobicContact CZ3-CD1 4.41Å; A162-L168 HydrophobicContact CB-CD1 3.82Å; K165-L168 HydrophobicContact CB-CD1 4.19Å; G166-L168 PolarHBondContact O-N 3.06Å; G166-L168 VanDerWaalsContact O-N 3.13Å
169H97.5Very high94.4Very high76 Ų7658.9 Ų58.935%0.35234%0.336SS..EExtended strand (participates in β ladder)trans-123.4137.7179.4-62.3-86.7000110.1Y98 T99Y98-H169 CarbonylContact C-O 3.57Å; Y98-H169 VanDerWaalsContact CA-O 3.28Å; Y98-H169 WeakPolarHBondContact CA-O 3.37Å; T99-H169 PolarHBondContact N-O 3.19Å; T99-H169 PolarHBondContact O-N 2.84Å
170T97.6Very high94.4Very high77 Ų7758.7 Ų58.747%0.47234%0.335SS..EExtended strand (participates in β ladder)trans-68.4138.1175.350.70000110.5A96 L97 Y98A96-T170 HydrophobicContact CB-CG2 4.37Å; L97-T170 CarbonylContact O-C 3.4Å; L97-T170 WeakPolarHBondContact O-CA 3.49Å; Y98-T170 HydrophobicContact CD1-CG2 4.17Å; Y98-T170 HydrophobicContact CE1-CG2 3.67Å
171V97.1Very high94.5Very high2 Ų257.2 Ų57.21%0.01233%0.325CS..  trans-69.2131.5172.5-179.90000109.2L97 T99 K104 K106 L109 C154 D173 S174L97-V171 HydrophobicContact CB-CB 4.29Å; L97-V171 HydrophobicContact CB-CG2 4.29Å; L97-V171 HydrophobicContact CD2-CB 3.87Å; L97-V171 HydrophobicContact CD2-CG1 4.07Å; L97-V171 HydrophobicContact CD2-CG2 3.82Å; L97-V171 HydrophobicContact CG-CB 4.17Å; L97-V171 HydrophobicContact CG-CG2 3.8Å; L97-V171 PolarHBondContact O-N 3.01Å; T99-V171 HydrophobicContact CG2-CG2 3.99Å; K104-V171 WeakPolarHBondContact O-CG1 3.37Å; K106-V171 HydrophobicContact CB-CG1 4.43Å; K106-V171 HydrophobicContact CG-CG1 3.67Å; L109-V171 HydrophobicContact CD1-CG1 4.43Å; L109-V171 HydrophobicContact CD1-CG2 3.78Å; C154-V171 HydrophobicContact CB-CG2 3.97Å; V171-D173 WeakPolarHBondContact CG1-OD1 3.49Å; V171-D173 PolarHBondContact O-N 3.38Å; V171-S174 WeakPolarHBondContact O-CB 3.46Å; V171-S174 PolarHBondContact O-N 2.71Å; V171-S174 PolarHBondContact O-OG 3.1Å
172V93.8Very high94.6Very high92 Ų9258.8 Ų58.856%0.55833%0.331SS*.THydrogen-bonded Turntrans-64.6-44.4-163.3174.40000113K104 L105 S174K104-V172 PolarHBondContact O-N 2.76Å; L105-V172 HydrophobicContact CD2-CB 4.15Å; L105-V172 HydrophobicContact CD2-CG1 4.44Å; V172-S174 PolarHBondContact O-N 3.12Å
173D91.1Very high94.6Very high75 Ų7558.6 Ų58.640%0.40133%0.33SS..THydrogen-bonded Turntrans-92.129.6-177.662.2-33.1000112.3L105 K106 V171L105-D173 VanDerWaalsContact CA-OD1 3.28Å; L105-D173 WeakPolarHBondContact CA-OD1 3.42Å; L105-D173 HydrophobicContact CD2-CB 3.91Å; K106-D173 WeakPolarHBondContact CE-O 3.35Å; K106-D173 WeakPolarHBondContact CG-OD1 3.44Å; K106-D173 PolarHBondContact N-OD1 3.5Å; K106-D173 PolarHBondContact N-OD2 3.15Å; K106-D173 PolarHBondContact NZ-O 3.42Å; V171-D173 WeakPolarHBondContact CG1-OD1 3.49Å; V171-D173 PolarHBondContact O-N 3.38Å
174S91.7Very high94.8Very high30 Ų3049.6 Ų49.621%0.2130%0.296CS..  trans-107.8154.3178.877.80000113.8K106 V171 V172K106-S174 VanDerWaalsContact CE-CA 3.47Å; K106-S174 VanDerWaalsContact CE-CB 3.48Å; V171-S174 WeakPolarHBondContact O-CB 3.46Å; V171-S174 PolarHBondContact O-N 2.71Å; V171-S174 PolarHBondContact O-OG 3.1Å; V172-S174 PolarHBondContact O-N 3.12Å
175T93Very high95.1Very high93 Ų9344.6 Ų44.657%0.57127%0.274SS*.  trans-102.9168.3172.855.60000109.6W156W156-T175 WeakPolarHBondContact CH2-O 3.45Å; W156-T175 WeakPolarHBondContact CZ3-O 3.49Å
176T96.1Very high95.4Very high95 Ų9541.2 Ų41.258%0.58326%0.26SS*.EExtended strand (participates in β ladder)trans-97.6151.7169.757.80000110.9T94 L95 A96T94-T176 HydrophobicContact CG2-CG2 4.12Å; L95-T176 CarbonylContact O-C 3.59Å; L95-T176 VanDerWaalsContact O-CA 3.26Å; L95-T176 WeakPolarHBondContact O-CA 3.29Å; A96-T176 HydrophobicContact CB-CG2 4.17Å
177L95.5Very high95.7Very high24 Ų2444.9 Ų44.913%0.12627%0.266CS..EExtended strand (participates in β ladder)trans-119.9131.4176.2-54.9171.3000109.8T94 L95 F120 H123 W156T94-L177 CarbonylContact C-O 3.59Å; T94-L177 WeakPolarHBondContact CA-O 3.31Å; L95-L177 HydrophobicContact CB-CB 4.31Å; L95-L177 PolarHBondContact N-O 2.81Å; L95-L177 PolarHBondContact O-N 2.92Å; F120-L177 HydrophobicContact CE2-CD1 4.06Å; F120-L177 HydrophobicContact CZ-CD1 3.83Å; H123-L177 HydrophobicContact CB-CD1 3.65Å; W156-L177 HydrophobicContact CD2-CD1 4.05Å; W156-L177 HydrophobicContact CE3-CD1 3.89Å; W156-L177 HydrophobicContact CE3-CG 4.28Å; W156-L177 HydrophobicContact CH2-CD1 3.7Å; W156-L177 HydrophobicContact CH2-CD2 4.48Å; W156-L177 HydrophobicContact CH2-CG 3.78Å; W156-L177 HydrophobicContact CZ2-CD1 3.85Å; W156-L177 HydrophobicContact CZ2-CG 4.41Å; W156-L177 HydrophobicContact CZ3-CD1 3.72Å; W156-L177 HydrophobicContact CZ3-CG 3.7Å
178S95.8Very high95.7Very high79 Ų7947.1 Ų47.155%0.55227%0.265SS*.EExtended strand (participates in β ladder)trans-91.3126.5171-175.20000109.5
179R95.1Very high95.5Very high8 Ų847 Ų473%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-118.3131.3-179.7-68-61.4-57.3-142.7-2.2110.2Y92 F93 L95 D119 F120Y92-R179 CarbonylContact C-O 3.53Å; Y92-R179 VanDerWaalsContact CA-O 3.25Å; Y92-R179 WeakPolarHBondContact CA-O 3.23Å; F93-R179 HydrophobicContact CD1-CB 4.13Å; F93-R179 VanDerWaalsContact CD1-O 3.31Å; F93-R179 WeakPolarHBondContact CD1-O 3.44Å; F93-R179 HydrophobicContact CD2-CB 4.34Å; F93-R179 HydrophobicContact CE1-CB 3.61Å; F93-R179 HydrophobicContact CE2-CB 3.85Å; F93-R179 HydrophobicContact CE2-CG 4.3Å; F93-R179 HydrophobicContact CG-CB 4.48Å; F93-R179 HydrophobicContact CZ-CB 3.46Å; F93-R179 VanDerWaalsContact CZ-CB 3.46Å; F93-R179 HydrophobicContact CZ-CG 4.19Å; F93-R179 PolarHBondContact N-O 3.26Å; F93-R179 PolarHBondContact O-N 3.38Å; L95-R179 HydrophobicContact CD1-CG 3.64Å; L95-R179 HydrophobicContact CG-CG 4.12Å; D119-R179 IonicContact OD1-CZ 3.7Å; D119-R179 VanDerWaalsContact OD1-CZ 3.31Å; D119-R179 IonicContact OD1-NH1 3.48Å; D119-R179 PolarHBondContact OD1-NH1 2.81Å; D119-R179 IonicContact OD1-NH2 3.24Å; D119-R179 PolarHBondContact OD1-NH2 3.22Å; D119-R179 IonicContact OD2-CZ 2.92Å; D119-R179 IonicContact OD2-NH1 3.26Å; D119-R179 IonicContact OD2-NH2 2.81Å; D119-R179 PolarHBondContact OD2-NH2 2.78Å; F120-R179 VanDerWaalsContact CD2-NH1 3.32Å
180P96Very high95.3Very high27 Ų2749.8 Ų49.818%0.17528%0.283CS..EExtended strand (participates in β ladder)trans-72.5151.9173.831.4-34.3000110.5T77 L89 G91 Y92 Y182T77-P180 VanDerWaalsContact CA-O 3.29Å; T77-P180 WeakPolarHBondContact CA-O 3.37Å; L89-P180 HydrophobicContact CD1-CB 3.83Å; G91-P180 WeakPolarHBondContact O-CA 3.46Å; Y92-P180 HydrophobicContact CD1-CB 4.01Å; Y92-P180 HydrophobicContact CE1-CB 3.72Å; P180-Y182 HydrophobicContact CB-CD2 4.28Å; P180-Y182 HydrophobicContact CB-CE2 3.52Å; P180-Y182 HydrophobicContact CG-CE2 3.64Å
181L96.9Very high95Very high0 Ų047.9 Ų47.90%027%0.268CS..EExtended strand (participates in β ladder)trans-120.5128.8170.2-167.475.2000109.3L28 M32 I75 L90 G91 F93 V203 L204L28-L181 HydrophobicContact CD1-CD1 4.23Å; L28-L181 HydrophobicContact CD2-CD1 3.68Å; M32-L181 HydrophobicContact CE-CD2 4.01Å; I75-L181 HydrophobicContact CG2-CD1 3.8Å; I75-L181 HydrophobicContact CG2-CD2 3.96Å; I75-L181 HydrophobicContact CG2-CG 3.89Å; L90-L181 HydrophobicContact CB-CB 4.4Å; L90-L181 HydrophobicContact CB-CD2 4.35Å; L90-L181 WeakPolarHBondContact CB-O 3.31Å; L90-L181 HydrophobicContact CD1-CD2 3.92Å; L90-L181 HydrophobicContact CD1-CG 4.12Å; L90-L181 PolarHBondContact N-O 3.41Å; G91-L181 PolarHBondContact O-N 3.29Å; F93-L181 HydrophobicContact CD1-CB 4.32Å; F93-L181 HydrophobicContact CE1-CB 4.39Å; F93-L181 HydrophobicContact CE1-CD1 4.19Å; L181-V203 HydrophobicContact CD2-CB 4.48Å; L181-V203 HydrophobicContact CD2-CG1 3.84Å; L181-L204 HydrophobicContact CD2-CD2 3.79Å
182Y97.1Very high94.9Very high47 Ų4749.5 Ų49.518%0.18428%0.277CS..EExtended strand (participates in β ladder)trans-119.1142.2-179-64.3-85000111I75 T76 E78 A79 Q88 L89 P180I75-Y182 WeakPolarHBondContact CA-O 3.36Å; T76-Y182 PolarHBondContact N-O 3.16Å; T76-Y182 PolarHBondContact O-N 3.29Å; E78-Y182 VanDerWaalsContact C-CD2 3.5Å; A79-Y182 HydrophobicContact CB-CD1 4.5Å; A79-Y182 HydrophobicContact CB-CE1 4.19Å; A79-Y182 HydrophobicContact CB-CE2 4.22Å; Q88-Y182 WeakPolarHBondContact O-CA 3.43Å; L89-Y182 HydrophobicContact CB-CD1 4.16Å; L89-Y182 HydrophobicContact CB-CE1 3.92Å; L89-Y182 HydrophobicContact CD1-CD1 4.17Å; L89-Y182 HydrophobicContact CD1-CE1 3.73Å; L89-Y182 HydrophobicContact CD1-CE2 4.42Å; L89-Y182 HydrophobicContact CG-CE1 4.39Å; P180-Y182 HydrophobicContact CB-CD2 4.28Å; P180-Y182 HydrophobicContact CB-CE2 3.52Å; P180-Y182 HydrophobicContact CG-CE2 3.64Å
183A98Very high94.8Very high0 Ų048.9 Ų48.90%028%0.281CS..EExtended strand (participates in β ladder)trans-92.9135.2156.900000109.1L73 L74 I75 S87 Q88 L90 W185 L199L73-A183 HydrophobicContact CD1-CB 3.9Å; L74-A183 CarbonylContact O-C 3.49Å; L74-A183 WeakPolarHBondContact O-CA 3.4Å; I75-A183 HydrophobicContact CD1-CB 3.84Å; S87-A183 CarbonylContact C-O 3.6Å; S87-A183 WeakPolarHBondContact CA-O 3.48Å; Q88-A183 HydrophobicContact CB-CB 4.47Å; Q88-A183 PolarHBondContact N-O 2.96Å; Q88-A183 PolarHBondContact O-N 3.03Å; L90-A183 HydrophobicContact CD1-CB 3.98Å; L90-A183 HydrophobicContact CD2-CB 3.92Å; L90-A183 HydrophobicContact CG-CB 4.1Å; A183-W185 HydrophobicContact CB-CE3 4.39Å; A183-W185 HydrophobicContact CB-CZ3 4.05Å; A183-L199 HydrophobicContact CB-CD1 3.58Å; A183-L199 HydrophobicContact CB-CD2 3.84Å; A183-L199 HydrophobicContact CB-CG 4.38Å
184I97.7Very high94.9Very high3 Ų347.9 Ų47.92%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-133.3133.5180-52.9-178.2000109.3L66 L74 T76 P80 F85 S86L66-I184 HydrophobicContact CD2-CG2 3.93Å; L74-I184 HydrophobicContact CB-CB 4.31Å; L74-I184 PolarHBondContact N-O 3.16Å; L74-I184 PolarHBondContact O-N 3.31Å; T76-I184 HydrophobicContact CG2-CD1 3.42Å; T76-I184 VanDerWaalsContact CG2-CD1 3.42Å; T76-I184 HydrophobicContact CG2-CG1 3.97Å; P80-I184 HydrophobicContact CB-CD1 4.07Å; P80-I184 HydrophobicContact CB-CG2 4.13Å; P80-I184 HydrophobicContact CG-CD1 4.14Å; P80-I184 HydrophobicContact CG-CG1 4.42Å; P80-I184 HydrophobicContact CG-CG2 4.17Å; F85-I184 HydrophobicContact CB-CG2 3.71Å; F85-I184 HydrophobicContact CD1-CG2 4.33Å; F85-I184 HydrophobicContact CD2-CG2 4.32Å; F85-I184 HydrophobicContact CG-CG2 3.89Å; S86-I184 WeakPolarHBondContact O-CA 3.49Å
185W97.6Very high95.1Very high2 Ų246.4 Ų46.41%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-146.9165.3174.963.3101.7000111.3D72 L73 F85 S86 Q88 A183 Q187 N192 I195 L199D72-W185 VanDerWaalsContact O-CB 3.28Å; D72-W185 WeakPolarHBondContact O-CB 3.48Å; L73-W185 HydrophobicContact CD1-CE3 4.14Å; F85-W185 CarbonylContact C-O 3.57Å; F85-W185 WeakPolarHBondContact CA-O 3.39Å; S86-W185 VanDerWaalsContact CB-CE2 3.41Å; S86-W185 PolarHBondContact N-O 2.9Å; S86-W185 PolarHBondContact O-N 3.35Å; Q88-W185 HydrophobicContact CB-CH2 3.96Å; Q88-W185 HydrophobicContact CB-CZ3 3.96Å; A183-W185 HydrophobicContact CB-CE3 4.39Å; A183-W185 HydrophobicContact CB-CZ3 4.05Å; W185-Q187 PolarHBondContact O-N 2.81Å; W185-N192 PolarHBondContact NE1-ND2 2.74Å; W185-N192 VanDerWaalsContact NE1-ND2 3.15Å; W185-I195 HydrophobicContact CB-CD1 3.69Å; W185-I195 HydrophobicContact CD2-CD1 4.39Å; W185-I195 HydrophobicContact CD2-CG2 3.71Å; W185-I195 HydrophobicContact CE3-CG2 3.83Å; W185-I195 HydrophobicContact CG-CD1 3.61Å; W185-I195 HydrophobicContact CG-CG2 4.08Å; W185-I195 HydrophobicContact CZ2-CG2 4.42Å; W185-I195 HydrophobicContact CZ3-CG2 4.25Å; W185-L199 HydrophobicContact CE3-CD1 4.43Å; W185-L199 HydrophobicContact CH2-CD1 4.19Å; W185-L199 HydrophobicContact CZ3-CD1 3.77Å
186L97.2Very high95.2Very high15 Ų1547.8 Ų47.88%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-61.4129.5173.4-80175.4000110.9L66 R69 F85 N188 S189L66-L186 HydrophobicContact CD1-CG 4.38Å; L66-L186 HydrophobicContact CG-CG 4.29Å; L66-L186 WeakPolarHBondContact O-CD1 3.26Å; L66-L186 WeakPolarHBondContact O-CG 3.29Å; R69-L186 HydrophobicContact CG-CD1 3.56Å; F85-L186 HydrophobicContact CD1-CD2 4.03Å; F85-L186 HydrophobicContact CE1-CD2 3.76Å; F85-L186 HydrophobicContact CE1-CG 4.43Å; L186-N188 PolarHBondContact O-N 3.25Å; L186-S189 VanDerWaalsContact O-CB 3.24Å; L186-S189 WeakPolarHBondContact O-CB 3.13Å; L186-S189 PolarHBondContact O-N 3.45Å
187Q94.7Very high95.1Very high119 Ų11947.2 Ų47.256%0.55625%0.253SS*.THydrogen-bonded Turntrans-57.9-36.6-179.6-174.3179.611.600112.2D83 E84 S86 W185D83-Q187 PolarHBondContact O-OE1 3.33Å; E84-Q187 VanDerWaalsContact O-CB 3.32Å; E84-Q187 WeakPolarHBondContact O-CB 3.42Å; E84-Q187 PolarHBondContact O-N 3.17Å; S86-Q187 WeakPolarHBondContact OG-CA 3.28Å; W185-Q187 PolarHBondContact O-N 2.81Å
188N93.2Very high95Very high105 Ų10546.6 Ų46.656%0.56125%0.25SC*.THydrogen-bonded Turntrans-95.824.2178.266.82.6000114R69 L186R69-N188 PolarHBondContact NH2-ND2 3.26Å; R69-N188 PolarHBondContact NH2-OD1 3.41Å; R69-N188 VanDerWaalsContact NH2-OD1 3.16Å; L186-N188 PolarHBondContact O-N 3.25Å
189S93.3Very high95Very high17 Ų1743.3 Ų43.312%0.11923%0.226CC..  trans-64.2134.4172.6177.20000110.9L186 K191 N192L186-S189 VanDerWaalsContact O-CB 3.24Å; L186-S189 WeakPolarHBondContact O-CB 3.13Å; L186-S189 PolarHBondContact O-N 3.45Å; S189-K191 PolarHBondContact O-N 2.7Å; S189-K191 PolarHBondContact OG-N 3.31Å; S189-K191 VanDerWaalsContact OG-N 3.1Å; S189-N192 WeakPolarHBondContact O-CB 3.39Å; S189-N192 PolarHBondContact O-N 3.24Å
190D92Very high95Very high136 Ų13650.3 Ų50.373%0.72726%0.257SS*.THydrogen-bonded Turntrans-66.2-22.916957.6-31.3000112.5N192D190-N192 VanDerWaalsContact C-N 3.32Å; D190-N192 PolarHBondContact O-N 3.48Å
191K92.7Very high94.9Very high37 Ų3750.6 Ų50.616%0.16126%0.256CS..THydrogen-bonded Turntrans-87.410.6175.8-55.7-171.4-167.3164.70113.7E19 F20 D72 S189 A193 L194 I195E19-K191 PolarHBondContact O-NZ 2.81Å; F20-K191 HydrophobicContact CD2-CD 3.91Å; F20-K191 HydrophobicContact CE2-CB 4.45Å; F20-K191 HydrophobicContact CE2-CD 4.33Å; D72-K191 HydrophobicContact CB-CD 4.45Å; D72-K191 VanDerWaalsContact OD1-CD 3.31Å; D72-K191 WeakPolarHBondContact OD1-CD 3.13Å; D72-K191 VanDerWaalsContact OD1-CE 3.29Å; D72-K191 WeakPolarHBondContact OD1-CE 3.36Å; D72-K191 IonicContact OD1-NZ 2.8Å; D72-K191 PolarHBondContact OD1-NZ 3.37Å; D72-K191 IonicContact OD2-NZ 3.42Å; D72-K191 PolarHBondContact OD2-NZ 3.04Å; S189-K191 PolarHBondContact O-N 2.7Å; S189-K191 PolarHBondContact OG-N 3.31Å; S189-K191 VanDerWaalsContact OG-N 3.1Å; K191-A193 VanDerWaalsContact C-N 3.29Å; K191-A193 PolarHBondContact O-N 3.2Å; K191-L194 HydrophobicContact CB-CB 4.5Å; K191-L194 WeakPolarHBondContact O-CB 3.24Å; K191-L194 PolarHBondContact O-N 3.1Å; K191-I195 HydrophobicContact CB-CD1 4.31Å; K191-I195 HydrophobicContact CB-CG1 4.42Å; K191-I195 VanDerWaalsContact O-CG1 3.29Å; K191-I195 WeakPolarHBondContact O-CG1 3.17Å; K191-I195 PolarHBondContact O-N 2.84Å
192N93.4Very high94.7Very high36 Ų3654.2 Ų54.219%0.19328%0.276CS..Hα-helixtrans-53-43.4-175.9-163.5-70.4000113.2W185 S189 D190 I195 R196W185-N192 PolarHBondContact NE1-ND2 2.74Å; W185-N192 VanDerWaalsContact NE1-ND2 3.15Å; S189-N192 WeakPolarHBondContact O-CB 3.39Å; S189-N192 PolarHBondContact O-N 3.24Å; D190-N192 VanDerWaalsContact C-N 3.32Å; D190-N192 PolarHBondContact O-N 3.48Å; N192-I195 PolarHBondContact O-N 3.05Å; N192-R196 WeakPolarHBondContact O-CG 3.38Å; N192-R196 PolarHBondContact O-N 2.9Å; N192-R196 PolarHBondContact OD1-NE 3.4Å
193A92.7Very high94.6Very high79 Ų7952.2 Ų52.265%0.65327%0.269SS*.Hα-helixtrans-64-45.2177.700000112.1K191 R196 D197K191-A193 VanDerWaalsContact C-N 3.29Å; K191-A193 PolarHBondContact O-N 3.2Å; A193-R196 PolarHBondContact O-N 3.1Å; A193-D197 PolarHBondContact O-N 3.44Å
194L92.9Very high94.2Very high53 Ų5354.3 Ų54.328%0.27728%0.28SS..Hα-helixtrans-62-45.6176.1175.862.1000111.3F20 L50 K191 R196 D197 L198F20-L194 HydrophobicContact CD2-CD2 3.72Å; F20-L194 HydrophobicContact CD2-CG 4.33Å; F20-L194 HydrophobicContact CE2-CD2 4.22Å; F20-L194 HydrophobicContact CE2-CG 4.39Å; F20-L194 HydrophobicContact CG-CD2 4.47Å; L50-L194 HydrophobicContact CD1-CD2 3.89Å; L50-L194 HydrophobicContact CD2-CD1 3.97Å; L50-L194 HydrophobicContact CD2-CD2 4.08Å; K191-L194 HydrophobicContact CB-CB 4.5Å; K191-L194 WeakPolarHBondContact O-CB 3.24Å; K191-L194 PolarHBondContact O-N 3.1Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 3.2Å; L194-D197 PolarHBondContact O-N 2.84Å; L194-D197 VanDerWaalsContact O-N 3.15Å; L194-L198 HydrophobicContact CD1-CD1 4.1Å; L194-L198 HydrophobicContact CD1-CD2 4.38Å; L194-L198 HydrophobicContact CD1-CG 3.99Å; L194-L198 HydrophobicContact CG-CD1 3.98Å; L194-L198 HydrophobicContact CG-CG 4.31Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.48Å; L194-L198 PolarHBondContact O-N 3.44Å
195I96Very high93.6Very high0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-55.4-50.6177.2-66.8163.6000110.1F20 L73 W185 K191 N192 D197 L198 L199F20-I195 HydrophobicContact CE2-CD1 4.45Å; F20-I195 HydrophobicContact CE2-CG1 3.57Å; F20-I195 HydrophobicContact CZ-CG1 3.65Å; L73-I195 HydrophobicContact CD1-CG2 4.1Å; W185-I195 HydrophobicContact CB-CD1 3.69Å; W185-I195 HydrophobicContact CD2-CD1 4.39Å; W185-I195 HydrophobicContact CD2-CG2 3.71Å; W185-I195 HydrophobicContact CE3-CG2 3.83Å; W185-I195 HydrophobicContact CG-CD1 3.61Å; W185-I195 HydrophobicContact CG-CG2 4.08Å; W185-I195 HydrophobicContact CZ2-CG2 4.42Å; W185-I195 HydrophobicContact CZ3-CG2 4.25Å; K191-I195 HydrophobicContact CB-CD1 4.31Å; K191-I195 HydrophobicContact CB-CG1 4.42Å; K191-I195 VanDerWaalsContact O-CG1 3.29Å; K191-I195 WeakPolarHBondContact O-CG1 3.17Å; K191-I195 PolarHBondContact O-N 2.84Å; N192-I195 PolarHBondContact O-N 3.05Å; I195-D197 VanDerWaalsContact C-N 3.28Å; I195-D197 PolarHBondContact O-N 3.15Å; I195-L198 PolarHBondContact O-N 3.15Å; I195-L199 HydrophobicContact CG2-CD1 3.83Å; I195-L199 HydrophobicContact CG2-CG 4.32Å; I195-L199 WeakPolarHBondContact O-CB 3.32Å; I195-L199 VanDerWaalsContact O-CG 3.23Å; I195-L199 WeakPolarHBondContact O-CG 3.36Å; I195-L199 PolarHBondContact O-N 3.03Å
196R95.4Very high92.3Very high122 Ų12260.5 Ų60.546%0.4631%0.311SS..Hα-helixtrans-62.7-36.2180-71-178.3-169.8-73.40.8112.7N192 A193 L194 K200N192-R196 WeakPolarHBondContact O-CG 3.38Å; N192-R196 PolarHBondContact O-N 2.9Å; N192-R196 PolarHBondContact OD1-NE 3.4Å; A193-R196 PolarHBondContact O-N 3.1Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 3.2Å; R196-K200 PolarHBondContact O-N 3.05Å
197D93.6Very high90.3Very high83 Ų8364.3 Ų64.344%0.44434%0.335SS..Hα-helixtrans-67.7-47.8177.3-16461.6000111.8A193 L194 I195 L199 K200A193-D197 PolarHBondContact O-N 3.44Å; L194-D197 PolarHBondContact O-N 2.84Å; L194-D197 VanDerWaalsContact O-N 3.15Å; I195-D197 VanDerWaalsContact C-N 3.28Å; I195-D197 PolarHBondContact O-N 3.15Å; D197-L199 VanDerWaalsContact C-N 3.27Å; D197-L199 PolarHBondContact O-N 3.38Å; D197-K200 VanDerWaalsContact O-CB 3.26Å; D197-K200 WeakPolarHBondContact O-CB 3.29Å; D197-K200 WeakPolarHBondContact O-CG 3.47Å; D197-K200 PolarHBondContact O-N 3.36Å; D197-K200 WeakPolarHBondContact OD1-CE 3.44Å; D197-K200 IonicContact OD1-NZ 3.33Å; D197-K200 PolarHBondContact OD1-NZ 3.16Å
198L94.5Very high88Confident10 Ų1070.9 Ų70.95%0.05236%0.356CS..Hα-helixtrans-59-38.2175.1-65.8174.2000112F20 L40 L50 F52 L194 I195 K200 I201F20-L198 HydrophobicContact CD1-CD1 3.8Å; F20-L198 HydrophobicContact CD2-CD1 4.27Å; F20-L198 HydrophobicContact CE1-CD1 3.53Å; F20-L198 HydrophobicContact CE2-CD1 4.06Å; F20-L198 HydrophobicContact CG-CD1 4.14Å; F20-L198 HydrophobicContact CZ-CD1 3.67Å; L40-L198 HydrophobicContact CD2-CB 4.3Å; L40-L198 HydrophobicContact CD2-CD2 4.04Å; L50-L198 HydrophobicContact CD2-CD2 4.45Å; F52-L198 HydrophobicContact CE1-CD1 3.9Å; F52-L198 HydrophobicContact CE1-CD2 4.29Å; F52-L198 HydrophobicContact CZ-CD1 4.33Å; F52-L198 HydrophobicContact CZ-CD2 3.88Å; L194-L198 HydrophobicContact CD1-CD1 4.1Å; L194-L198 HydrophobicContact CD1-CD2 4.38Å; L194-L198 HydrophobicContact CD1-CG 3.99Å; L194-L198 HydrophobicContact CG-CD1 3.98Å; L194-L198 HydrophobicContact CG-CG 4.31Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.48Å; L194-L198 PolarHBondContact O-N 3.44Å; I195-L198 PolarHBondContact O-N 3.15Å; L198-K200 PolarHBondContact O-N 2.72Å; L198-I201 WeakPolarHBondContact O-CB 3.37Å; L198-I201 PolarHBondContact O-N 3.39Å; L198-I201 VanDerWaalsContact O-N 3.16Å
199L95.9Very high87.8Confident11 Ų1169.2 Ų69.26%0.05835%0.346CS..THydrogen-bonded Turntrans-73.2-5.2178.1-67.5179.6000114.2W36 L73 L90 A183 W185 I195 D197 I201W36-L199 HydrophobicContact CZ2-CD2 4.22Å; L73-L199 HydrophobicContact CD2-CD2 4.27Å; L90-L199 HydrophobicContact CD2-CD2 3.9Å; A183-L199 HydrophobicContact CB-CD1 3.58Å; A183-L199 HydrophobicContact CB-CD2 3.84Å; A183-L199 HydrophobicContact CB-CG 4.38Å; W185-L199 HydrophobicContact CE3-CD1 4.43Å; W185-L199 HydrophobicContact CH2-CD1 4.19Å; W185-L199 HydrophobicContact CZ3-CD1 3.77Å; I195-L199 HydrophobicContact CG2-CD1 3.83Å; I195-L199 HydrophobicContact CG2-CG 4.32Å; I195-L199 WeakPolarHBondContact O-CB 3.32Å; I195-L199 VanDerWaalsContact O-CG 3.23Å; I195-L199 WeakPolarHBondContact O-CG 3.36Å; I195-L199 PolarHBondContact O-N 3.03Å; D197-L199 VanDerWaalsContact C-N 3.27Å; D197-L199 PolarHBondContact O-N 3.38Å; L199-I201 VanDerWaalsContact C-N 3.26Å
200K94.4Very high87.5Confident154 Ų15471.9 Ų71.967%0.6736%0.358SS*.THydrogen-bonded Turntrans-70.1-27166.9-64.3171.4-173.8163.50111.6R196 D197 L198 N202R196-K200 PolarHBondContact O-N 3.05Å; D197-K200 VanDerWaalsContact O-CB 3.26Å; D197-K200 WeakPolarHBondContact O-CB 3.29Å; D197-K200 WeakPolarHBondContact O-CG 3.47Å; D197-K200 PolarHBondContact O-N 3.36Å; D197-K200 WeakPolarHBondContact OD1-CE 3.44Å; D197-K200 IonicContact OD1-NZ 3.33Å; D197-K200 PolarHBondContact OD1-NZ 3.16Å; L198-K200 PolarHBondContact O-N 2.72Å; K200-N202 PolarHBondContact O-N 3.33Å
201I93Very high87.2Confident33 Ų3368.3 Ų68.317%0.16934%0.337CS..SBendtrans-76.6108.3173-59.8169.3000106.9W36 R39 L40 N43 L198 L199 V203W36-I201 PolarHBondContact NE1-O 3.3Å; R39-I201 HydrophobicContact CB-CG2 4.09Å; L40-I201 HydrophobicContact CD2-CB 4.1Å; L40-I201 HydrophobicContact CD2-CD1 3.61Å; L40-I201 HydrophobicContact CD2-CG1 4.4Å; L40-I201 HydrophobicContact CD2-CG2 4.37Å; N43-I201 HydrophobicContact CB-CD1 3.61Å; L198-I201 WeakPolarHBondContact O-CB 3.37Å; L198-I201 PolarHBondContact O-N 3.39Å; L198-I201 VanDerWaalsContact O-N 3.16Å; L199-I201 VanDerWaalsContact C-N 3.26Å; I201-V203 PolarHBondContact O-N 3.16Å
202N93.3Very high86.9Confident77 Ų7770.2 Ų70.241%0.41235%0.348SS..  trans-58.9120.6-173.3178-6.3000111.5R39 K200 L204 D205R39-N202 PolarHBondContact NH1-O 2.91Å; R39-N202 PolarHBondContact NH2-O 3.2Å; K200-N202 PolarHBondContact O-N 3.33Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 PolarHBondContact O-N 3.33Å; N202-L204 PolarHBondContact OD1-N 3.03Å; N202-D205 HydrophobicContact CB-CB 4.05Å; N202-D205 PolarHBondContact O-N 3.25Å; N202-D205 PolarHBondContact OD1-N 3.48Å
203V94.3Very high86.5Confident5 Ų572.3 Ų72.33%0.0336%0.357CS..THydrogen-bonded Turntrans-65.3-34.1-178.7-177.40000112.8L33 W36 L90 L181 I201L33-V203 HydrophobicContact CD2-CG1 3.4Å; L33-V203 VanDerWaalsContact CD2-CG1 3.4Å; W36-V203 HydrophobicContact CB-CG1 4.38Å; W36-V203 HydrophobicContact CD2-CG1 4.35Å; W36-V203 HydrophobicContact CD2-CG2 3.94Å; W36-V203 HydrophobicContact CG-CB 4.32Å; W36-V203 HydrophobicContact CG-CG1 4.24Å; W36-V203 HydrophobicContact CG-CG2 4.13Å; W36-V203 HydrophobicContact CZ2-CG2 4.11Å; L90-V203 HydrophobicContact CD1-CB 4.2Å; L90-V203 HydrophobicContact CD1-CG1 4.47Å; L90-V203 HydrophobicContact CD1-CG2 3.76Å; L90-V203 HydrophobicContact CD2-CG2 4.32Å; L90-V203 HydrophobicContact CG-CG2 4.49Å; L181-V203 HydrophobicContact CD2-CB 4.48Å; L181-V203 HydrophobicContact CD2-CG1 3.84Å; I201-V203 PolarHBondContact O-N 3.16Å
204L91.5Very high86.1Confident44 Ų4471.9 Ų71.923%0.2334%0.338CS..THydrogen-bonded Turntrans-92.41.3-174.9-58.4-176.1000114.1M32 L181 N202 E206M32-L204 HydrophobicContact CE-CD2 3Å; L181-L204 HydrophobicContact CD2-CD2 3.79Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 PolarHBondContact O-N 3.33Å; N202-L204 PolarHBondContact OD1-N 3.03Å; L204-E206 PolarHBondContact O-N 3.21Å
205D84.7Confident85.6Confident79 Ų7973.2 Ų73.242%0.42234%0.342SS..  trans-64.3124.9-177.3-16016.5000111.1R39 N202R39-D205 IonicContact NH1-OD2 3.02Å; N202-D205 HydrophobicContact CB-CB 4.05Å; N202-D205 PolarHBondContact O-N 3.25Å; N202-D205 PolarHBondContact OD1-N 3.48Å
206E69.3Low84.8Confident56 Ų5678.8 Ų78.826%0.26237%0.368SS..  trans-92.6101.2173.4-66.8-175.6-159.600107.5S160 L204 Y208S160-E206 WeakPolarHBondContact CB-OE1 3.5Å; L204-E206 PolarHBondContact O-N 3.21Å; E206-Y208 HydrophobicContact CB-CD2 4.38Å; E206-Y208 HydrophobicContact CB-CE2 3.9Å; E206-Y208 WeakPolarHBondContact O-CD2 3.39Å; E206-Y208 PolarHBondContact O-N 2.8Å; E206-Y208 VanDerWaalsContact O-N 3.12Å; E206-Y208 PolarHBondContact OE2-OH 3.34Å
207V55Low83.9Confident95 Ų9575.3 Ų75.358%0.57636%0.361SS*.  trans-69.3110.3164.4-172.60000106.3
208Y47.8Very low83Confident256 Ų25674.5 Ų74.5100%1.00435%0.353SS*.  trans-80.60175.7-69.1-83.9000111.2E206E206-Y208 HydrophobicContact CB-CD2 4.38Å; E206-Y208 HydrophobicContact CB-CE2 3.9Å; E206-Y208 WeakPolarHBondContact O-CD2 3.39Å; E206-Y208 PolarHBondContact O-N 2.8Å; E206-Y208 VanDerWaalsContact O-N 3.12Å; E206-Y208 PolarHBondContact OE2-OH 3.34Å

Retrieved 208 of 208 residues in 214 ms (Link to these results)

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