A0A096LZZ0_POEFO Loading...

C-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LZZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 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
1V63.1Low69.3Low142 Ų14295.1 Ų95.186%0.86158%0.577SS**  0-52.10-1720000111.8S4 L5V1-S4 WeakPolarHBondContact CA-OG 3.37Å; V1-S4 PolarHBondContact O-N 2.95Å; V1-S4 PolarHBondContact O-OG 3.34Å; V1-L5 HydrophobicContact CG1-CD1 3.96Å; V1-L5 WeakPolarHBondContact O-CD1 3.4Å; V1-L5 WeakPolarHBondContact O-CG 3.3Å; V1-L5 PolarHBondContact O-N 2.9Å; V1-L5 VanDerWaalsContact O-N 3.14Å
2I62.1Low70.4Confident152 Ų15296.9 Ų96.978%0.77958%0.58SS**Hα-helixtrans-65.9-45-179.3-60.3172.9000112.5S4 L5 G6I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 2.83Å; I2-L5 PolarHBondContact O-N 3.41Å; I2-G6 PolarHBondContact O-N 3.01Å; I2-G6 VanDerWaalsContact O-N 3.1Å
3V61.7Low71.5Confident113 Ų11396.8 Ų96.869%0.68557%0.574SS**Hα-helixtrans-63.1-39.4178.9-179.70000111.9G6 I7V3-G6 PolarHBondContact O-N 3.19Å; V3-I7 HydrophobicContact CG1-CD1 4.12Å; V3-I7 WeakPolarHBondContact O-CG1 3.45Å; V3-I7 PolarHBondContact O-N 3.45Å
4S62.7Low72.3Confident66 Ų6694.7 Ų94.746%0.46256%0.562SS.*Hα-helixtrans-70.9-34.3179.237.40000113.2V1 I2 L8V1-S4 WeakPolarHBondContact CA-OG 3.37Å; V1-S4 PolarHBondContact O-N 2.95Å; V1-S4 PolarHBondContact O-OG 3.34Å; I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 2.83Å; S4-L8 PolarHBondContact O-N 3.36Å
5L65.5Low73.1Confident108 Ų10891 Ų9157%0.56555%0.551SS**Hα-helixtrans-69.3-35.9173.1-74.5163.1000112.4V1 I2 L8 S9V1-L5 HydrophobicContact CG1-CD1 3.96Å; V1-L5 WeakPolarHBondContact O-CD1 3.4Å; V1-L5 WeakPolarHBondContact O-CG 3.3Å; V1-L5 PolarHBondContact O-N 2.9Å; V1-L5 VanDerWaalsContact O-N 3.14Å; I2-L5 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 3.37Å; L5-S9 PolarHBondContact O-N 2.7Å; L5-S9 VanDerWaalsContact O-N 3.07Å
6G66.9Low74Confident32 Ų3292.1 Ų92.133%0.3355%0.552SS.*Hα-helixtrans-67.3-34.9174.900000113.7I2 V3 S9 V10I2-G6 PolarHBondContact O-N 3.01Å; I2-G6 VanDerWaalsContact O-N 3.1Å; V3-G6 PolarHBondContact O-N 3.19Å; G6-S9 PolarHBondContact O-OG 3.36Å; G6-V10 VanDerWaalsContact O-CG2 3.26Å; G6-V10 WeakPolarHBondContact O-CG2 3.46Å; G6-V10 PolarHBondContact O-N 3.12Å; G6-V10 VanDerWaalsContact O-N 3.15Å
7I71.2Confident74.7Confident118 Ų11892.8 Ų92.861%0.60555%0.551SS**Hα-helixtrans-71.3-39176.2-66.5164.9000111V3 V10 G11V3-I7 HydrophobicContact CG1-CD1 4.12Å; V3-I7 WeakPolarHBondContact O-CG1 3.45Å; V3-I7 PolarHBondContact O-N 3.45Å; I7-V10 PolarHBondContact O-N 2.89Å; I7-G11 PolarHBondContact O-N 3.41Å
8L71.3Confident75.3Confident121 Ų12197.3 Ų97.363%0.63456%0.557SS**Hα-helixtrans-63.1-42174.8-80.9162.3000112S4 L5 G11 L12S4-L8 PolarHBondContact O-N 3.36Å; L5-L8 PolarHBondContact O-N 3.37Å; L8-G11 PolarHBondContact O-N 2.85Å; L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 PolarHBondContact O-N 3.15Å
9S78.9Confident76Confident59 Ų5998.5 Ų98.541%0.41356%0.56SS.*Hα-helixtrans-66.7-41.7178.2690000112.3L5 G6 L12 I13L5-S9 PolarHBondContact O-N 2.7Å; L5-S9 VanDerWaalsContact O-N 3.07Å; G6-S9 PolarHBondContact O-OG 3.36Å; S9-L12 PolarHBondContact O-N 2.89Å; S9-I13 WeakPolarHBondContact O-CD1 3.33Å; S9-I13 VanDerWaalsContact O-CG1 3.24Å; S9-I13 WeakPolarHBondContact O-CG1 3.28Å; S9-I13 PolarHBondContact O-N 3.45Å
10V79.1Confident76.5Confident88 Ų8895.3 Ų95.353%0.53355%0.55SS.*Hα-helixtrans-63.7-42.7175.6172.80000111.3G6 I7 L12 I13 V14G6-V10 VanDerWaalsContact O-CG2 3.26Å; G6-V10 WeakPolarHBondContact O-CG2 3.46Å; G6-V10 PolarHBondContact O-N 3.12Å; G6-V10 VanDerWaalsContact O-N 3.15Å; I7-V10 PolarHBondContact O-N 2.89Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.27Å; V10-I13 PolarHBondContact O-N 3.42Å; V10-V14 HydrophobicContact CG1-CG2 4.48Å; V10-V14 WeakPolarHBondContact O-CG2 3.43Å; V10-V14 PolarHBondContact O-N 3.48Å
11G79.8Confident76.9Confident47 Ų4795.1 Ų95.149%0.48555%0.55SS.*Hα-helixtrans-60.9-40.2176.100000113.1I7 L8 G15I7-G11 PolarHBondContact O-N 3.41Å; L8-G11 PolarHBondContact O-N 2.85Å; G11-G15 PolarHBondContact O-N 3.09Å
12L82.9Confident78Confident117 Ų11795 Ų9561%0.61354%0.54SS*.Hα-helixtrans-67.3-41.6177.9-136.2144.1000111.6L8 S9 V10 G15 L16L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 PolarHBondContact O-N 3.15Å; S9-L12 PolarHBondContact O-N 2.89Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 3.27Å; L12-G15 PolarHBondContact O-N 2.92Å; L12-L16 HydrophobicContact CD2-CD1 4.05Å; L12-L16 HydrophobicContact CD2-CG 4.44Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.3Å
13I84.9Confident79.2Confident96 Ų9694.6 Ų94.649%0.49253%0.533SS..Hα-helixtrans-64-45.8176.3-68.3164.1000111.1S9 V10 G15 L16 I17S9-I13 WeakPolarHBondContact O-CD1 3.33Å; S9-I13 VanDerWaalsContact O-CG1 3.24Å; S9-I13 WeakPolarHBondContact O-CG1 3.28Å; S9-I13 PolarHBondContact O-N 3.45Å; V10-I13 PolarHBondContact O-N 3.42Å; I13-G15 VanDerWaalsContact C-N 3.3Å; I13-G15 PolarHBondContact O-N 3.39Å; I13-L16 PolarHBondContact O-N 2.83Å; I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 HydrophobicContact CG2-CG1 4.49Å; I13-I17 WeakPolarHBondContact O-CG1 3.42Å; I13-I17 PolarHBondContact O-N 3.46Å
14V82.6Confident80.4Confident67 Ų6793.3 Ų93.341%0.40653%0.526SS..Hα-helixtrans-62.1-39.4176.4173.10000111.1V10 I17 R18V10-V14 HydrophobicContact CG1-CG2 4.48Å; V10-V14 WeakPolarHBondContact O-CG2 3.43Å; V10-V14 PolarHBondContact O-N 3.48Å; V14-I17 PolarHBondContact O-N 3.49Å; V14-R18 WeakPolarHBondContact O-CG 3.35Å; V14-R18 PolarHBondContact O-N 3.27Å
15G83.8Confident81.4Confident39 Ų3992.4 Ų92.440%0.40252%0.522SS..Hα-helixtrans-60.4-45.6174.100000112.9G11 L12 I13 R18 L19G11-G15 PolarHBondContact O-N 3.09Å; L12-G15 PolarHBondContact O-N 2.92Å; I13-G15 VanDerWaalsContact C-N 3.3Å; I13-G15 PolarHBondContact O-N 3.39Å; G15-R18 PolarHBondContact O-N 3.37Å; G15-L19 WeakPolarHBondContact O-CB 3.49Å; G15-L19 PolarHBondContact O-N 3.39Å
16L87.4Confident82.4Confident108 Ų10893.1 Ų93.157%0.56552%0.521SS*.Hα-helixtrans-65.1-40.6177.3-71.5170.4000112.6L12 I13 L19 G20L12-L16 HydrophobicContact CD2-CD1 4.05Å; L12-L16 HydrophobicContact CD2-CG 4.44Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.3Å; I13-L16 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 2.8Å; L16-G20 PolarHBondContact O-N 3.47Å
17I86.3Confident83.4Confident105 Ų10594 Ų9454%0.53852%0.522SS..Hα-helixtrans-63.5-46.7176.2-67.5166.2000110.5I13 V14 L19 G20 V21I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 HydrophobicContact CG2-CG1 4.49Å; I13-I17 WeakPolarHBondContact O-CG1 3.42Å; I13-I17 PolarHBondContact O-N 3.46Å; V14-I17 PolarHBondContact O-N 3.49Å; I17-L19 VanDerWaalsContact C-N 3.33Å; I17-L19 PolarHBondContact O-N 3.32Å; I17-G20 PolarHBondContact O-N 2.82Å; I17-V21 WeakPolarHBondContact O-CG2 3.08Å; I17-V21 PolarHBondContact O-N 3.43Å
18R85.8Confident84Confident174 Ų17495.7 Ų95.766%0.65752%0.521SS*.Hα-helixtrans-60.7-42.7177.4-74.9-172.2-177.6-147.72.2111.9V14 G15 V21 H22V14-R18 WeakPolarHBondContact O-CG 3.35Å; V14-R18 PolarHBondContact O-N 3.27Å; G15-R18 PolarHBondContact O-N 3.37Å; R18-V21 PolarHBondContact O-N 2.92Å; R18-H22 PolarHBondContact O-CD2 3.35Å; R18-H22 VanDerWaalsContact O-CD2 3.27Å; R18-H22 PolarHBondContact O-N 3.48Å
19L87.3Confident85Confident119 Ų11994.3 Ų94.362%0.62351%0.514SS*.Hα-helixtrans-63.7-41.8177-170.968.6000111.6G15 L16 I17 H22 F23G15-L19 WeakPolarHBondContact O-CB 3.49Å; G15-L19 PolarHBondContact O-N 3.39Å; L16-L19 PolarHBondContact O-N 2.8Å; I17-L19 VanDerWaalsContact C-N 3.33Å; I17-L19 PolarHBondContact O-N 3.32Å; L19-H22 PolarHBondContact O-N 3.47Å; L19-F23 WeakPolarHBondContact O-CB 3.33Å; L19-F23 PolarHBondContact O-N 2.92Å
20G85.9Confident85.6Confident35 Ų3594.8 Ų94.836%0.36151%0.512SS..Hα-helixtrans-60.5-45.5175.100000112.8L16 I17 F23 T24L16-G20 PolarHBondContact O-N 3.47Å; I17-G20 PolarHBondContact O-N 2.82Å; G20-F23 PolarHBondContact O-N 3.31Å; G20-T24 WeakPolarHBondContact O-CG2 3.31Å; G20-T24 PolarHBondContact O-N 3.49Å; G20-T24 PolarHBondContact O-OG1 3.47Å
21V86.4Confident86.3Confident91 Ų9195.2 Ų95.255%0.55251%0.511SS*.Hα-helixtrans-63.4-40.3176.1173.80000111.8I17 R18 T24 A25I17-V21 WeakPolarHBondContact O-CG2 3.08Å; I17-V21 PolarHBondContact O-N 3.43Å; R18-V21 PolarHBondContact O-N 2.92Å; V21-T24 PolarHBondContact O-OG1 3.21Å; V21-A25 VanDerWaalsContact O-CB 3.31Å; V21-A25 WeakPolarHBondContact O-CB 3.22Å; V21-A25 PolarHBondContact O-N 3Å
22H86.3Confident87Confident140 Ų14097.2 Ų97.265%0.64851%0.508SS*.Hα-helixtrans-66-40.6175-86.6-67.2000112.4R18 L19 F26R18-H22 PolarHBondContact O-CD2 3.35Å; R18-H22 VanDerWaalsContact O-CD2 3.27Å; R18-H22 PolarHBondContact O-N 3.48Å; L19-H22 PolarHBondContact O-N 3.47Å; H22-F26 WeakPolarHBondContact O-CB 3.29Å; H22-F26 PolarHBondContact O-N 2.71Å
23F86.4Confident87.5Confident143 Ų14396.1 Ų96.163%0.62750%0.502SS*.Hα-helixtrans-65.8-43.1178.4-176-99.7000111.9L19 G20 F26 S27L19-F23 WeakPolarHBondContact O-CB 3.33Å; L19-F23 PolarHBondContact O-N 2.92Å; G20-F23 PolarHBondContact O-N 3.31Å; F23-F26 PolarHBondContact O-N 3.29Å; F23-S27 WeakPolarHBondContact O-CB 3.38Å; F23-S27 PolarHBondContact O-N 3.39Å
24T86.3Confident88Confident87 Ų8795.3 Ų95.353%0.53451%0.505SS..Hα-helixtrans-66.6-41176.5570000112G20 V21 F26 S27 W28G20-T24 WeakPolarHBondContact O-CG2 3.31Å; G20-T24 PolarHBondContact O-N 3.49Å; G20-T24 PolarHBondContact O-OG1 3.47Å; V21-T24 PolarHBondContact O-OG1 3.21Å; T24-F26 VanDerWaalsContact C-N 3.34Å; T24-F26 PolarHBondContact O-N 2.94Å; T24-S27 PolarHBondContact O-N 3.47Å; T24-W28 WeakPolarHBondContact O-CB 3.33Å; T24-W28 PolarHBondContact O-N 3.38Å
25A84.4Confident88.6Confident47 Ų4794.3 Ų94.339%0.38850%0.504SS..Hα-helixtrans-62.5-40.6174.300000112.1V21 W28 N29V21-A25 VanDerWaalsContact O-CB 3.31Å; V21-A25 WeakPolarHBondContact O-CB 3.22Å; V21-A25 PolarHBondContact O-N 3Å; A25-W28 PolarHBondContact O-N 3.38Å; A25-N29 WeakPolarHBondContact O-CB 3.39Å; A25-N29 PolarHBondContact O-N 2.88Å; A25-N29 PolarHBondContact O-ND2 2.83Å
26F85.7Confident89.1Confident123 Ų12397.9 Ų97.954%0.53951%0.511SS..Hα-helixtrans-65.1-43.9174.8-179-105.6000112.3H22 F23 T24 N29 N30H22-F26 WeakPolarHBondContact O-CB 3.29Å; H22-F26 PolarHBondContact O-N 2.71Å; F23-F26 PolarHBondContact O-N 3.29Å; T24-F26 VanDerWaalsContact C-N 3.34Å; T24-F26 PolarHBondContact O-N 2.94Å; F26-N29 PolarHBondContact O-N 2.71Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.28Å; F26-N30 VanDerWaalsContact CZ-ND2 3.31Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.37Å; F26-N30 PolarHBondContact O-N 3.32Å; F26-N30 PolarHBondContact O-ND2 2.88Å
27S87.9Confident89.5Confident49 Ų4995 Ų9534%0.34350%0.498SS..Hα-helixtrans-58.4-48.4174.6-170.40000111.3F23 T24 N29 N30 D31F23-S27 WeakPolarHBondContact O-CB 3.38Å; F23-S27 PolarHBondContact O-N 3.39Å; T24-S27 PolarHBondContact O-N 3.47Å; S27-N29 PolarHBondContact O-N 2.9Å; S27-N30 PolarHBondContact O-N 2.85Å; S27-N30 VanDerWaalsContact O-N 3.16Å; S27-D31 VanDerWaalsContact O-CG 3.3Å; S27-D31 PolarHBondContact O-N 3.3Å
28W85.4Confident90Very high155 Ų15597 Ų9759%0.58750%0.503SS*.Hα-helixtrans-62.1-41.9179.8-17083.3000112.2T24 A25 N30 D31 Q32T24-W28 WeakPolarHBondContact O-CB 3.33Å; T24-W28 PolarHBondContact O-N 3.38Å; A25-W28 PolarHBondContact O-N 3.38Å; W28-N30 VanDerWaalsContact C-N 3.33Å; W28-N30 PolarHBondContact O-N 3.36Å; W28-D31 PolarHBondContact O-N 2.95Å; W28-Q32 HydrophobicContact CD2-CG 3.97Å; W28-Q32 HydrophobicContact CE3-CG 3.89Å; W28-Q32 HydrophobicContact CH2-CG 3.76Å; W28-Q32 HydrophobicContact CZ2-CG 3.83Å; W28-Q32 HydrophobicContact CZ3-CG 3.79Å; W28-Q32 WeakPolarHBondContact O-CG 3.23Å; W28-Q32 PolarHBondContact O-N 3.2Å
29N91.6Very high90.6Very high91 Ų9195.2 Ų95.249%0.48750%0.502SS..Hα-helixtrans-62.2-39.5175-73-18000112.4A25 F26 S27 L33A25-N29 WeakPolarHBondContact O-CB 3.39Å; A25-N29 PolarHBondContact O-N 2.88Å; A25-N29 PolarHBondContact O-ND2 2.83Å; F26-N29 PolarHBondContact O-N 2.71Å; S27-N29 PolarHBondContact O-N 2.9Å; N29-L33 WeakPolarHBondContact O-CB 3.45Å; N29-L33 PolarHBondContact O-N 2.89Å
30N90.9Very high91Very high70 Ų7096 Ų9637%0.37450%0.497SS..Hα-helixtrans-67.5-39.3175.9-72.6-21.4000112F26 S27 W28 L33 S34F26-N30 WeakPolarHBondContact CE1-ND2 3.28Å; F26-N30 VanDerWaalsContact CZ-ND2 3.31Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.37Å; F26-N30 PolarHBondContact O-N 3.32Å; F26-N30 PolarHBondContact O-ND2 2.88Å; S27-N30 PolarHBondContact O-N 2.85Å; S27-N30 VanDerWaalsContact O-N 3.16Å; W28-N30 VanDerWaalsContact C-N 3.33Å; W28-N30 PolarHBondContact O-N 3.36Å; N30-L33 PolarHBondContact O-N 2.89Å; N30-S34 WeakPolarHBondContact O-CB 3.42Å; N30-S34 PolarHBondContact O-N 3.23Å
31D93.2Very high91.6Very high97 Ų9798 Ų9852%0.51950%0.499SS..Hα-helixtrans-64.8-42.6176.5-66.6-29.9000111.3S27 W28 S34 A35S27-D31 VanDerWaalsContact O-CG 3.3Å; S27-D31 PolarHBondContact O-N 3.3Å; W28-D31 PolarHBondContact O-N 2.95Å; D31-S34 WeakPolarHBondContact O-CB 3.38Å; D31-S34 PolarHBondContact O-N 2.98Å; D31-A35 PolarHBondContact O-N 3.27Å
32Q94.7Very high92.1Very high89 Ų8999.8 Ų99.842%0.41650%0.502SS..Hα-helixtrans-62.6-43.8173.5-70.7-65.1-66.300112W28 S34 A35 M36W28-Q32 HydrophobicContact CD2-CG 3.97Å; W28-Q32 HydrophobicContact CE3-CG 3.89Å; W28-Q32 HydrophobicContact CH2-CG 3.76Å; W28-Q32 HydrophobicContact CZ2-CG 3.83Å; W28-Q32 HydrophobicContact CZ3-CG 3.79Å; W28-Q32 WeakPolarHBondContact O-CG 3.23Å; W28-Q32 PolarHBondContact O-N 3.2Å; Q32-S34 VanDerWaalsContact C-N 3.33Å; Q32-S34 PolarHBondContact O-N 2.93Å; Q32-A35 PolarHBondContact O-N 2.91Å; Q32-M36 WeakPolarHBondContact O-CG 3.48Å; Q32-M36 PolarHBondContact O-N 3.11Å
33L93.5Very high92.7Very high94 Ų9498.1 Ų98.149%0.49250%0.497SS..Hα-helixtrans-63.5-40.1177.2-176.963000111.8N29 N30 M36 T37N29-L33 WeakPolarHBondContact O-CB 3.45Å; N29-L33 PolarHBondContact O-N 2.89Å; N30-L33 PolarHBondContact O-N 2.89Å; L33-M36 HydrophobicContact CD1-CE 4.1Å; L33-T37 WeakPolarHBondContact O-CB 3.28Å; L33-T37 PolarHBondContact O-N 2.92Å; L33-T37 PolarHBondContact O-OG1 3.27Å
34S95.8Very high93.2Very high78 Ų7894.6 Ų94.655%0.54549%0.485SS..Hα-helixtrans-61.5-45.8174.3-179.90000111.5N30 D31 Q32 T37 K38N30-S34 WeakPolarHBondContact O-CB 3.42Å; N30-S34 PolarHBondContact O-N 3.23Å; D31-S34 WeakPolarHBondContact O-CB 3.38Å; D31-S34 PolarHBondContact O-N 2.98Å; Q32-S34 VanDerWaalsContact C-N 3.33Å; Q32-S34 PolarHBondContact O-N 2.93Å; S34-T37 PolarHBondContact O-N 3.23Å; S34-K38 PolarHBondContact O-N 3Å
35A95.6Very high93.7Very high46 Ų4693.1 Ų93.138%0.3848%0.481SS..Hα-helixtrans-60.7-48.4176.600000112.2D31 Q32 T37 K38 E39D31-A35 PolarHBondContact O-N 3.27Å; Q32-A35 PolarHBondContact O-N 2.91Å; A35-T37 VanDerWaalsContact C-N 3.31Å; A35-T37 PolarHBondContact O-N 2.96Å; A35-K38 WeakPolarHBondContact O-CB 3.34Å; A35-K38 PolarHBondContact O-N 3.4Å; A35-E39 PolarHBondContact O-N 2.98Å
36M93.3Very high94.4Very high114 Ų11493.8 Ų93.856%0.56248%0.481SS*.Hα-helixtrans-63-36.1176.8-69.1-167.6-52.500112.7Q32 L33 K38 E39 R40Q32-M36 WeakPolarHBondContact O-CG 3.48Å; Q32-M36 PolarHBondContact O-N 3.11Å; L33-M36 HydrophobicContact CD1-CE 4.1Å; M36-K38 VanDerWaalsContact C-N 3.34Å; M36-E39 PolarHBondContact O-N 3.44Å; M36-R40 WeakPolarHBondContact O-CB 3.31Å; M36-R40 PolarHBondContact O-N 3.42Å
37T96.4Very high94.9Very high48 Ų4892.2 Ų92.229%0.29448%0.477SS..Hα-helixtrans-64.9-41.9176.8-57.70000110.6L33 S34 A35 R40 D41L33-T37 WeakPolarHBondContact O-CB 3.28Å; L33-T37 PolarHBondContact O-N 2.92Å; L33-T37 PolarHBondContact O-OG1 3.27Å; S34-T37 PolarHBondContact O-N 3.23Å; A35-T37 VanDerWaalsContact C-N 3.31Å; A35-T37 PolarHBondContact O-N 2.96Å; T37-R40 PolarHBondContact O-N 3.35Å; T37-D41 WeakPolarHBondContact O-CB 3.49Å; T37-D41 PolarHBondContact O-N 3.42Å
38K97.3Very high95.3Very high148 Ų14895.9 Ų95.964%0.64349%0.49SS*.Hα-helixtrans-63-44.2176-172.1-178.9178.7-175.90112S34 A35 M36 D41 Q42S34-K38 PolarHBondContact O-N 3Å; A35-K38 WeakPolarHBondContact O-CB 3.34Å; A35-K38 PolarHBondContact O-N 3.4Å; M36-K38 VanDerWaalsContact C-N 3.34Å; K38-D41 PolarHBondContact O-N 2.97Å; K38-Q42 WeakPolarHBondContact O-CB 3.43Å; K38-Q42 PolarHBondContact O-N 3.06Å
39E97.3Very high95.9Very high136 Ų13695.1 Ų95.164%0.63649%0.493SS*.Hα-helixtrans-62.2-44175.9-74.2-178.3178.100112.1A35 M36 D41 Q42 L43A35-E39 PolarHBondContact O-N 2.98Å; M36-E39 PolarHBondContact O-N 3.44Å; E39-D41 PolarHBondContact O-N 3.34Å; E39-Q42 PolarHBondContact O-N 3.41Å; E39-L43 WeakPolarHBondContact O-CB 3.36Å; E39-L43 PolarHBondContact O-N 3.02Å
40R96.8Very high96Very high136 Ų13696 Ų9651%0.51350%0.496SS..Hα-helixtrans-58.7-46.8174.5-179.7-156.868.2-172.5-1.6111.5M36 T37 Q42 L43 N44M36-R40 WeakPolarHBondContact O-CB 3.31Å; M36-R40 PolarHBondContact O-N 3.42Å; T37-R40 PolarHBondContact O-N 3.35Å; R40-Q42 VanDerWaalsContact C-N 3.31Å; R40-Q42 PolarHBondContact O-N 3.33Å; R40-L43 PolarHBondContact O-N 3Å; R40-N44 WeakPolarHBondContact O-CB 3.36Å; R40-N44 VanDerWaalsContact O-CG 3.24Å; R40-N44 PolarHBondContact O-N 3.07Å; R40-N44 PolarHBondContact O-ND2 3.35Å
41D98Very high96.3Very high76 Ų7695.7 Ų95.741%0.40650%0.499SS..Hα-helixtrans-66.6-37.7-178.1-67.4-12.4000111.1T37 K38 E39 N44 A45T37-D41 WeakPolarHBondContact O-CB 3.49Å; T37-D41 PolarHBondContact O-N 3.42Å; K38-D41 PolarHBondContact O-N 2.97Å; E39-D41 PolarHBondContact O-N 3.34Å; D41-N44 PolarHBondContact O-N 3.48Å; D41-A45 WeakPolarHBondContact O-CB 3.36Å; D41-A45 PolarHBondContact O-N 3.14Å
42Q98Very high96.3Very high128 Ų12895.8 Ų95.860%0.59850%0.5SS*.Hα-helixtrans-65.2-45173.4-169168.8-7.600111.4K38 E39 R40 N44 A45 T46K38-Q42 WeakPolarHBondContact O-CB 3.43Å; K38-Q42 PolarHBondContact O-N 3.06Å; E39-Q42 PolarHBondContact O-N 3.41Å; R40-Q42 VanDerWaalsContact C-N 3.31Å; R40-Q42 PolarHBondContact O-N 3.33Å; Q42-N44 VanDerWaalsContact C-N 3.34Å; Q42-N44 PolarHBondContact O-N 3.14Å; Q42-A45 PolarHBondContact O-N 3.17Å; Q42-T46 PolarHBondContact O-N 3.14Å; Q42-T46 PolarHBondContact O-OG1 3.43Å; Q42-T46 VanDerWaalsContact O-OG1 3.11Å
43L97.6Very high96.2Very high105 Ų10595.9 Ų95.955%0.5550%0.5SS..Hα-helixtrans-61.9-42.2175.4-177.262.7000111.5E39 R40 T46 L47E39-L43 WeakPolarHBondContact O-CB 3.36Å; E39-L43 PolarHBondContact O-N 3.02Å; R40-L43 PolarHBondContact O-N 3Å; L43-T46 PolarHBondContact O-N 3.44Å; L43-L47 HydrophobicContact CD1-CG 4.47Å; L43-L47 HydrophobicContact CG-CD1 4.14Å; L43-L47 HydrophobicContact CG-CG 4.46Å; L43-L47 WeakPolarHBondContact O-CB 3.35Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 2.94Å
44N97.5Very high96Very high70 Ų7095.6 Ų95.637%0.37450%0.498SS..Hα-helixtrans-63.1-41.6176.1-76-18.5000111.8R40 D41 Q42 L47 M48R40-N44 WeakPolarHBondContact O-CB 3.36Å; R40-N44 VanDerWaalsContact O-CG 3.24Å; R40-N44 PolarHBondContact O-N 3.07Å; R40-N44 PolarHBondContact O-ND2 3.35Å; D41-N44 PolarHBondContact O-N 3.48Å; Q42-N44 VanDerWaalsContact C-N 3.34Å; Q42-N44 PolarHBondContact O-N 3.14Å; N44-L47 PolarHBondContact O-N 3.36Å; N44-M48 VanDerWaalsContact O-CG 3.28Å; N44-M48 WeakPolarHBondContact O-CG 3.46Å; N44-M48 PolarHBondContact O-N 3.45Å
45A97.6Very high95.8Very high55 Ų5594.6 Ų94.646%0.45549%0.491SS..Hα-helixtrans-62.7-45.2175.100000111.4D41 Q42 M48 E49D41-A45 WeakPolarHBondContact O-CB 3.36Å; D41-A45 PolarHBondContact O-N 3.14Å; Q42-A45 PolarHBondContact O-N 3.17Å; A45-M48 PolarHBondContact O-N 3.16Å; A45-E49 PolarHBondContact O-N 3.01Å
46T97.7Very high95.4Very high62 Ų62100.1 Ų100.138%0.3850%0.502SS..Hα-helixtrans-62.9-41.7175.3-58.80000112Q42 L43 M48 E49 M50Q42-T46 PolarHBondContact O-N 3.14Å; Q42-T46 PolarHBondContact O-OG1 3.43Å; Q42-T46 VanDerWaalsContact O-OG1 3.11Å; L43-T46 PolarHBondContact O-N 3.44Å; T46-M48 VanDerWaalsContact C-N 3.33Å; T46-M48 PolarHBondContact O-N 3.38Å; T46-E49 PolarHBondContact O-N 3.43Å; T46-M50 HydrophobicContact CG2-CG 4.5Å; T46-M50 HydrophobicContact CG2-SD 4.21Å; T46-M50 WeakPolarHBondContact O-CG 3.44Å; T46-M50 PolarHBondContact O-N 3.49Å
47L97.3Very high94.8Very high90 Ų9099.4 Ų99.447%0.47150%0.5SS..Hα-helixtrans-63-39.2175.6-76.4171.7000111.8L43 N44 M50 S51L43-L47 HydrophobicContact CD1-CG 4.47Å; L43-L47 HydrophobicContact CG-CD1 4.14Å; L43-L47 HydrophobicContact CG-CG 4.46Å; L43-L47 WeakPolarHBondContact O-CB 3.35Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 2.94Å; N44-L47 PolarHBondContact O-N 3.36Å; L47-M50 PolarHBondContact O-N 3.02Å; L47-S51 VanDerWaalsContact O-CB 3.23Å; L47-S51 WeakPolarHBondContact O-CB 3.45Å; L47-S51 PolarHBondContact O-N 2.89Å
48M96.4Very high94.1Very high125 Ų125102.3 Ų102.362%0.61651%0.511SS*.Hα-helixtrans-64.5-40.9174.3-73.4178-174.100111.6N44 A45 T46 S51 N52N44-M48 VanDerWaalsContact O-CG 3.28Å; N44-M48 WeakPolarHBondContact O-CG 3.46Å; N44-M48 PolarHBondContact O-N 3.45Å; A45-M48 PolarHBondContact O-N 3.16Å; T46-M48 VanDerWaalsContact C-N 3.33Å; T46-M48 PolarHBondContact O-N 3.38Å; M48-S51 PolarHBondContact O-N 3.35Å; M48-N52 WeakPolarHBondContact O-CB 3.24Å; M48-N52 VanDerWaalsContact O-CG 3.22Å; M48-N52 PolarHBondContact O-N 3.5Å; M48-N52 PolarHBondContact O-ND2 3.3Å
49E96.5Very high93.3Very high139 Ų13997.9 Ų97.965%0.6550%0.498SS*.Hα-helixtrans-62.5-48.9175.3-174.4173.6-17000111.5A45 T46 S51 N52 E53A45-E49 PolarHBondContact O-N 3.01Å; T46-E49 PolarHBondContact O-N 3.43Å; E49-S51 VanDerWaalsContact C-N 3.31Å; E49-S51 PolarHBondContact O-N 3.36Å; E49-N52 PolarHBondContact O-N 3.03Å; E49-E53 PolarHBondContact O-N 2.89Å
50M95.6Very high92Very high111 Ų11196.6 Ų96.655%0.54750%0.495SS..Hα-helixtrans-59.7-41.1174.9-69.8176.567.400111.9T46 L47 E53 I54T46-M50 HydrophobicContact CG2-CG 4.5Å; T46-M50 HydrophobicContact CG2-SD 4.21Å; T46-M50 WeakPolarHBondContact O-CG 3.44Å; T46-M50 PolarHBondContact O-N 3.49Å; L47-M50 PolarHBondContact O-N 3.02Å; M50-E53 PolarHBondContact O-N 3.33Å; M50-I54 VanDerWaalsContact O-CG1 3.29Å; M50-I54 WeakPolarHBondContact O-CG1 3.48Å; M50-I54 PolarHBondContact O-N 2.96Å
51S95.6Very high90.6Very high62 Ų6292.3 Ų92.343%0.43449%0.486SS..Hα-helixtrans-65.6-37.4177.2-1740000112.5L47 M48 E49 S55L47-S51 VanDerWaalsContact O-CB 3.23Å; L47-S51 WeakPolarHBondContact O-CB 3.45Å; L47-S51 PolarHBondContact O-N 2.89Å; M48-S51 PolarHBondContact O-N 3.35Å; E49-S51 VanDerWaalsContact C-N 3.31Å; E49-S51 PolarHBondContact O-N 3.36Å; S51-S55 WeakPolarHBondContact O-CB 3.39Å; S51-S55 PolarHBondContact O-N 2.92Å; S51-S55 PolarHBondContact O-OG 2.91Å
52N94.1Very high88.9Confident99 Ų9994 Ų9453%0.52949%0.494SS..Hα-helixtrans-67.5-39.6175.1-75.4-24.9000111M48 E49 S55 R56M48-N52 WeakPolarHBondContact O-CB 3.24Å; M48-N52 VanDerWaalsContact O-CG 3.22Å; M48-N52 PolarHBondContact O-N 3.5Å; M48-N52 PolarHBondContact O-ND2 3.3Å; E49-N52 PolarHBondContact O-N 3.03Å; N52-S55 PolarHBondContact O-N 2.94Å; N52-R56 WeakPolarHBondContact O-CG 3.48Å; N52-R56 PolarHBondContact O-N 3.25Å
53E93.3Very high87.1Confident91 Ų9194.7 Ų94.743%0.42550%0.5SS..Hα-helixtrans-66.4-43.5175.8-167.159.4-164.700111.5E49 M50 S55 R56 L57E49-E53 PolarHBondContact O-N 2.89Å; M50-E53 PolarHBondContact O-N 3.33Å; E53-S55 VanDerWaalsContact C-N 3.29Å; E53-S55 PolarHBondContact O-N 3.23Å; E53-R56 WeakPolarHBondContact O-CB 3.42Å; E53-R56 PolarHBondContact O-N 2.96Å; E53-R56 VanDerWaalsContact O-N 3.15Å; E53-R56 IonicContact OE2-NH1 3.85Å; E53-L57 HydrophobicContact CG-CD1 4.34Å; E53-L57 WeakPolarHBondContact O-CB 3.35Å; E53-L57 VanDerWaalsContact O-CG 3.31Å; E53-L57 WeakPolarHBondContact O-CG 3.25Å; E53-L57 PolarHBondContact O-N 2.9Å
54I89.2Confident85.1Confident88 Ų8895.6 Ų95.645%0.45151%0.505SS..Hα-helixtrans-55.3-46.3170.7-70.9167.1000110.6M50 R56 L57 Q58M50-I54 VanDerWaalsContact O-CG1 3.29Å; M50-I54 WeakPolarHBondContact O-CG1 3.48Å; M50-I54 PolarHBondContact O-N 2.96Å; I54-R56 VanDerWaalsContact C-N 3.32Å; I54-R56 PolarHBondContact O-N 3.25Å; I54-L57 PolarHBondContact O-N 3.26Å; I54-Q58 HydrophobicContact CG2-CG 4.27Å; I54-Q58 WeakPolarHBondContact O-CB 3.05Å; I54-Q58 WeakPolarHBondContact O-CG 3Å; I54-Q58 PolarHBondContact O-N 2.04Å
55S90.4Very high83.2Confident58 Ų5899.3 Ų99.341%0.40652%0.52SS..Hα-helixtrans-63.3-38.1179.4-59.30000112.1S51 N52 E53 S59S51-S55 WeakPolarHBondContact O-CB 3.39Å; S51-S55 PolarHBondContact O-N 2.92Å; S51-S55 PolarHBondContact O-OG 2.91Å; N52-S55 PolarHBondContact O-N 2.94Å; E53-S55 VanDerWaalsContact C-N 3.29Å; E53-S55 PolarHBondContact O-N 3.23Å; S55-S59 WeakPolarHBondContact O-CB 3.32Å; S55-S59 PolarHBondContact O-N 3.42Å; S55-S59 PolarHBondContact O-OG 2.95Å
56R87.1Confident81.5Confident162 Ų162103.9 Ų103.961%0.61153%0.53SS*.Hα-helixtrans-66.3-48.5174.6-76.9176.9175.9166.6-0.6111.6N52 E53 I54 Q58 S59 L60N52-R56 WeakPolarHBondContact O-CG 3.48Å; N52-R56 PolarHBondContact O-N 3.25Å; E53-R56 WeakPolarHBondContact O-CB 3.42Å; E53-R56 PolarHBondContact O-N 2.96Å; E53-R56 VanDerWaalsContact O-N 3.15Å; E53-R56 IonicContact OE2-NH1 3.85Å; I54-R56 VanDerWaalsContact C-N 3.32Å; I54-R56 PolarHBondContact O-N 3.25Å; R56-Q58 VanDerWaalsContact C-N 3.3Å; R56-Q58 PolarHBondContact O-N 3.41Å; R56-S59 WeakPolarHBondContact CA-OG 3.38Å; R56-S59 PolarHBondContact O-N 3.02Å; R56-S59 VanDerWaalsContact O-N 3.12Å; R56-S59 PolarHBondContact O-OG 3.29Å; R56-L60 WeakPolarHBondContact O-CG 3.45Å; R56-L60 PolarHBondContact O-N 2.96Å
57L81.4Confident80.8Confident98 Ų98106.3 Ų106.351%0.51354%0.544SS..Hα-helixtrans-60.2-40.7176.7-68.1174.6000111.6E53 I54 L60 S61E53-L57 HydrophobicContact CG-CD1 4.34Å; E53-L57 WeakPolarHBondContact O-CB 3.35Å; E53-L57 VanDerWaalsContact O-CG 3.31Å; E53-L57 WeakPolarHBondContact O-CG 3.25Å; E53-L57 PolarHBondContact O-N 2.9Å; I54-L57 PolarHBondContact O-N 3.26Å; L57-L60 PolarHBondContact O-N 2.94Å; L57-S61 WeakPolarHBondContact O-CB 3.46Å; L57-S61 PolarHBondContact O-N 3.28Å
58Q80.8Confident80.5Confident110 Ų110102.9 Ų102.951%0.51453%0.528SS..Hα-helixtrans-62.7-44.1172.6-74.8173.5-19.200111.7I54 R56 L60 S61 I62I54-Q58 HydrophobicContact CG2-CG 4.27Å; I54-Q58 WeakPolarHBondContact O-CB 3.05Å; I54-Q58 WeakPolarHBondContact O-CG 3Å; I54-Q58 PolarHBondContact O-N 2.04Å; R56-Q58 VanDerWaalsContact C-N 3.3Å; R56-Q58 PolarHBondContact O-N 3.41Å; Q58-L60 VanDerWaalsContact C-N 3.33Å; Q58-L60 PolarHBondContact O-N 2.84Å; Q58-S61 WeakPolarHBondContact O-CB 3.5Å; Q58-S61 PolarHBondContact O-N 3.34Å; Q58-I62 VanDerWaalsContact O-CG1 3.3Å; Q58-I62 WeakPolarHBondContact O-CG1 3.33Å; Q58-I62 PolarHBondContact O-N 2.95Å
59S80.5Confident80.3Confident54 Ų5499.4 Ų99.438%0.37852%0.515SS..Hα-helixtrans-65.4-35.217774.10000112.9S55 R56 I62 I63S55-S59 WeakPolarHBondContact O-CB 3.32Å; S55-S59 PolarHBondContact O-N 3.42Å; S55-S59 PolarHBondContact O-OG 2.95Å; R56-S59 WeakPolarHBondContact CA-OG 3.38Å; R56-S59 PolarHBondContact O-N 3.02Å; R56-S59 VanDerWaalsContact O-N 3.12Å; R56-S59 PolarHBondContact O-OG 3.29Å; S59-I62 PolarHBondContact O-N 2.94Å; S59-I63 WeakPolarHBondContact O-CG1 3.43Å; S59-I63 PolarHBondContact O-N 2.92Å
60L71.3Confident80.1Confident109 Ų109100.8 Ų100.857%0.57153%0.526SS*.Hα-helixtrans-67.4-38172.6-74170.2000111.4R56 L57 Q58 I62 I63 L64R56-L60 WeakPolarHBondContact O-CG 3.45Å; R56-L60 PolarHBondContact O-N 2.96Å; L57-L60 PolarHBondContact O-N 2.94Å; Q58-L60 VanDerWaalsContact C-N 3.33Å; Q58-L60 PolarHBondContact O-N 2.84Å; L60-I62 VanDerWaalsContact C-N 3.34Å; L60-I63 PolarHBondContact O-N 3.42Å; L60-L64 VanDerWaalsContact O-CB 3.28Å; L60-L64 WeakPolarHBondContact O-CB 3.36Å; L60-L64 PolarHBondContact O-N 3.49Å
61S66Low79.9Confident47 Ų4798.5 Ų98.533%0.32953%0.532SS..Hα-helixtrans-64.8-35.3173.5178.50000112.7L57 Q58 L64L57-S61 WeakPolarHBondContact O-CB 3.46Å; L57-S61 PolarHBondContact O-N 3.28Å; Q58-S61 WeakPolarHBondContact O-CB 3.5Å; Q58-S61 PolarHBondContact O-N 3.34Å; S61-L64 CarbonylContact O-C 3.52Å; S61-L64 VanDerWaalsContact O-C 3.22Å
62I62.5Low79.9Confident110 Ų11097 Ų9756%0.56452%0.516SS*.Hα-helixtrans-72.7-37.6175.8-67.3163.5000111.5Q58 S59 L60 L64 E65Q58-I62 VanDerWaalsContact O-CG1 3.3Å; Q58-I62 WeakPolarHBondContact O-CG1 3.33Å; Q58-I62 PolarHBondContact O-N 2.95Å; S59-I62 PolarHBondContact O-N 2.94Å; L60-I62 VanDerWaalsContact C-N 3.34Å; I62-L64 VanDerWaalsContact C-N 3.31Å; I62-E65 WeakPolarHBondContact O-CG 3.49Å; I62-E65 PolarHBondContact O-N 3.42Å
63I60Low80Confident144 Ų14499.5 Ų99.574%0.73852%0.519SS*.Hα-helixtrans-74-28176.2-64.9169.6000110.9S59 L60 E65S59-I63 WeakPolarHBondContact O-CG1 3.43Å; S59-I63 PolarHBondContact O-N 2.92Å; L60-I63 PolarHBondContact O-N 3.42Å; I63-E65 VanDerWaalsContact C-N 3.25Å; I63-E65 PolarHBondContact O-N 3.18Å
64L55.8Low80.1Confident124 Ų124101.2 Ų101.265%0.64952%0.521SS*.THydrogen-bonded Turntrans-90.146.7167.9-162.279.3000110.8L60 S61 I62 K66L60-L64 VanDerWaalsContact O-CB 3.28Å; L60-L64 WeakPolarHBondContact O-CB 3.36Å; L60-L64 PolarHBondContact O-N 3.49Å; S61-L64 CarbonylContact O-C 3.52Å; S61-L64 VanDerWaalsContact O-C 3.22Å; I62-L64 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3Å
65E57.6Low80.4Confident148 Ų14899.7 Ų99.769%0.69251%0.511SS*.  trans-68.368163.6-89-170.3-164.500109.7I62 I63 T67I62-E65 WeakPolarHBondContact O-CG 3.49Å; I62-E65 PolarHBondContact O-N 3.42Å; I63-E65 VanDerWaalsContact C-N 3.25Å; I63-E65 PolarHBondContact O-N 3.18Å; E65-T67 PolarHBondContact O-N 3.45Å; E65-T67 VanDerWaalsContact O-N 3.09Å
66K63.3Low80.4Confident151 Ų151100.4 Ų100.466%0.65752%0.516SS*.  trans-69.195.1146.8-79.8-172.3175.7-178.40105.3L64 C68L64-K66 PolarHBondContact O-N 3Å; K66-C68 PolarHBondContact O-N 2.97Å
67T81.7Confident80.5Confident112 Ų112100.1 Ų100.169%0.68752%0.52SS*.PPolyproline II helixtrans-47.4141.3152.152.10000107.5E65E65-T67 PolarHBondContact O-N 3.45Å; E65-T67 VanDerWaalsContact O-N 3.09Å
68C91.4Very high81.2Confident19 Ų1996.7 Ų96.713%0.12850%0.504CS..PPolyproline II helixtrans-53.4142.4178.8-680000110.2K66 W72 R74 C79K66-C68 PolarHBondContact O-N 2.97Å; C68-W72 HydrophobicContact CB-CB 3.78Å; C68-R74 VanDerWaalsContact SG-CA 3.52Å; C68-R74 VanDerWaalsContact SG-CB 3.51Å; C68-C79 WeakPolarHBondContact CA-SG 3.39Å; C68-C79 HydrophobicContact CB-CB 3.79Å; C68-C79 WeakPolarHBondContact CB-SG 3.35Å; C68-C79 WeakPolarHBondContact SG-CA 3.26Å; C68-C79 WeakPolarHBondContact SG-CB 3.39Å; C68-C79 CovalentContact SG-SG 2.04Å; C68-C79 PolarHBondContact SG-SG 2.98Å
69P92.3Very high81.9Confident52 Ų5292.1 Ų92.134%0.33848%0.484SS..PPolyproline II helixtrans-56.9159.1179.1-1624.6000111.1G71 W72P69-G71 PolarHBondContact O-N 3.33Å; P69-W72 HydrophobicContact CB-CG 4.32Å; P69-W72 HydrophobicContact CG-CG 4.24Å; P69-W72 VanDerWaalsContact O-CB 3.25Å; P69-W72 WeakPolarHBondContact O-CB 3.31Å; P69-W72 PolarHBondContact O-N 3.49Å
70D91.6Very high82.8Confident167 Ų16789.7 Ų89.789%0.89347%0.467SS*.THydrogen-bonded Turntrans-51.4130.9179.7-67.8-18.3000112W72D70-W72 VanDerWaalsContact C-N 3.28Å; D70-W72 PolarHBondContact O-N 3.15Å
71G92.3Very high84.1Confident64 Ų6486 Ų8666%0.6645%0.447SS*.THydrogen-bonded Turntrans84.9-13.9-17700000115.2P69 L81P69-G71 PolarHBondContact O-N 3.33Å; G71-L81 WeakPolarHBondContact O-CD1 3.36Å
72W96.4Very high85.6Confident30 Ų3086.1 Ų86.111%0.11444%0.444CS..PPolyproline II helixtrans-84.5144.1173-65.269.2000110.8C68 P69 D70 C79 Y80 L81 R99 C188 K190C68-W72 HydrophobicContact CB-CB 3.78Å; P69-W72 HydrophobicContact CB-CG 4.32Å; P69-W72 HydrophobicContact CG-CG 4.24Å; P69-W72 VanDerWaalsContact O-CB 3.25Å; P69-W72 WeakPolarHBondContact O-CB 3.31Å; P69-W72 PolarHBondContact O-N 3.49Å; D70-W72 VanDerWaalsContact C-N 3.28Å; D70-W72 PolarHBondContact O-N 3.15Å; W72-C79 HydrophobicContact CB-CB 4.24Å; W72-C79 HydrophobicContact CD2-CB 4.45Å; W72-C79 VanDerWaalsContact CE3-C 3.48Å; W72-C79 HydrophobicContact CE3-CB 3.87Å; W72-C79 VanDerWaalsContact CE3-O 3.26Å; W72-C79 VanDerWaalsContact CZ3-O 3.29Å; W72-C79 WeakPolarHBondContact CZ3-O 3.29Å; W72-Y80 CarbonylContact C-O 3.53Å; W72-Y80 WeakPolarHBondContact CA-O 3.32Å; W72-Y80 VanDerWaalsContact CE3-C 3.42Å; W72-L81 HydrophobicContact CD2-CB 3.56Å; W72-L81 HydrophobicContact CD2-CD2 4.42Å; W72-L81 HydrophobicContact CD2-CG 4.47Å; W72-L81 HydrophobicContact CE3-CB 3.58Å; W72-L81 HydrophobicContact CG-CB 4.16Å; W72-L81 HydrophobicContact CH2-CB 3.92Å; W72-L81 HydrophobicContact CH2-CD2 4.47Å; W72-L81 HydrophobicContact CZ2-CB 3.88Å; W72-L81 HydrophobicContact CZ2-CD2 3.76Å; W72-L81 HydrophobicContact CZ2-CG 4.47Å; W72-L81 HydrophobicContact CZ3-CB 3.77Å; W72-R99 HydrophobicContact CH2-CB 4.49Å; W72-R99 HydrophobicContact CZ2-CB 3.82Å; W72-C188 HydrophobicContact CH2-CB 3.58Å; W72-C188 HydrophobicContact CZ3-CB 3.89Å; W72-K190 HydrophobicContact CE3-CG 4.37Å; W72-K190 HydrophobicContact CH2-CD 4.19Å; W72-K190 HydrophobicContact CH2-CG 4.29Å; W72-K190 HydrophobicContact CZ2-CD 4.45Å; W72-K190 HydrophobicContact CZ3-CD 4.34Å; W72-K190 HydrophobicContact CZ3-CG 3.99Å
73R96Very high87.2Confident152 Ų15281 Ų8157%0.57442%0.418SS*.EExtended strand (participates in β ladder)trans-103.9131177.6-60-170.2-173.1-162.8-1.5109.7Y80 F114R73-Y80 PolarHBondContact N-O 2.93Å; R73-Y80 PolarHBondContact O-N 3.1Å; R73-F114 HydrophobicContact CB-CZ 3.95Å
74R94.8Very high88.8Confident126 Ų12680 Ų8048%0.47542%0.418SS..EExtended strand (participates in β ladder)trans-80135.7174.8-168.6176.8179.1972.5110.4C68 S76C68-R74 VanDerWaalsContact SG-CA 3.52Å; C68-R74 VanDerWaalsContact SG-CB 3.51Å; R74-S76 PolarHBondContact NE-O 2.83Å; R74-S76 PolarHBondContact NH2-O 3.18Å; R74-S76 VanDerWaalsContact NH2-O 3.14Å
75F95Very high90.6Very high57 Ų5778.1 Ų78.125%0.2541%0.406CS..EExtended strand (participates in β ladder)trans-143.6128.6162.3175.4-98.9000108.5F77 S78 Y80 D110 E111 F114F75-F77 PolarHBondContact O-N 2.55Å; F75-S78 PolarHBondContact N-O 2.8Å; F75-S78 VanDerWaalsContact N-O 3.14Å; F75-S78 PolarHBondContact O-N 3.11Å; F75-S78 VanDerWaalsContact O-N 3.11Å; F75-S78 VanDerWaalsContact O-O 3.12Å; F75-Y80 HydrophobicContact CB-CD2 4.07Å; F75-Y80 HydrophobicContact CB-CE2 3.71Å; F75-Y80 HydrophobicContact CD1-CE2 4.25Å; F75-Y80 HydrophobicContact CG-CE2 4.49Å; F75-D110 HydrophobicContact CZ-CB 3.89Å; F75-D110 WeakPolarHBondContact CZ-O 3.35Å; F75-E111 HydrophobicContact CE1-CB 4.18Å; F75-F114 HydrophobicContact CB-CD1 3.55Å; F75-F114 HydrophobicContact CB-CD2 3.72Å; F75-F114 HydrophobicContact CB-CE1 3.5Å; F75-F114 HydrophobicContact CB-CE2 3.66Å; F75-F114 HydrophobicContact CB-CG 3.67Å; F75-F114 HydrophobicContact CB-CZ 3.55Å; F75-F114 HydrophobicContact CD1-CB 4.02Å; F75-F114 HydrophobicContact CD1-CD1 4.03Å; F75-F114 AromaticContact CD1-CG 3.98Å; F75-F114 HydrophobicContact CD1-CG 3.98Å; F75-F114 HydrophobicContact CD2-CB 3.78Å; F75-F114 HydrophobicContact CD2-CD1 4.32Å; F75-F114 AromaticContact CD2-CD2 3.53Å; F75-F114 HydrophobicContact CD2-CD2 3.53Å; F75-F114 HydrophobicContact CD2-CE2 4.19Å; F75-F114 AromaticContact CD2-CG 3.6Å; F75-F114 HydrophobicContact CD2-CG 3.6Å; F75-F114 HydrophobicContact CE1-CB 4.14Å; F75-F114 HydrophobicContact CE2-CB 3.9Å; F75-F114 HydrophobicContact CE2-CD2 4.34Å; F75-F114 HydrophobicContact CE2-CG 4.24Å; F75-F114 HydrophobicContact CG-CB 3.85Å; F75-F114 AromaticContact CG-CD1 3.71Å; F75-F114 HydrophobicContact CG-CD1 3.71Å; F75-F114 AromaticContact CG-CD2 3.73Å; F75-F114 HydrophobicContact CG-CD2 3.73Å; F75-F114 HydrophobicContact CG-CE1 4.19Å; F75-F114 HydrophobicContact CG-CE2 4.2Å; F75-F114 AromaticContact CG-CG 3.46Å; F75-F114 HydrophobicContact CG-CG 3.46Å; F75-F114 VanDerWaalsContact CG-CG 3.46Å; F75-F114 HydrophobicContact CG-CZ 4.41Å; F75-F114 HydrophobicContact CZ-CB 4.08Å
76S91.4Very high92.5Very high73 Ų7375.5 Ų75.551%0.5140%0.4SS..THydrogen-bonded Turntrans52.8-119.6-172.5-1690000112R74R74-S76 PolarHBondContact NE-O 2.83Å; R74-S76 PolarHBondContact NH2-O 3.18Å; R74-S76 VanDerWaalsContact NH2-O 3.14Å
77F89.3Confident94.2Very high156 Ų15668.6 Ų68.668%0.68437%0.372SS*.THydrogen-bonded Turntrans-101.9-0.8-179.5-58.2-76.4000114.1F75F75-F77 PolarHBondContact O-N 2.55Å
78S94.7Very high95Very high26 Ų2664.7 Ų64.718%0.18235%0.351CS..EExtended strand (participates in β ladder)trans-111.3160.9-177-59.60000112.4F75 E189F75-S78 PolarHBondContact N-O 2.8Å; F75-S78 VanDerWaalsContact N-O 3.14Å; F75-S78 PolarHBondContact O-N 3.11Å; F75-S78 VanDerWaalsContact O-N 3.11Å; F75-S78 VanDerWaalsContact O-O 3.12Å; S78-E189 WeakPolarHBondContact CB-OE1 3.21Å; S78-E189 PolarHBondContact OG-OE1 2.99Å
79C96.9Very high95.3Very high13 Ų1364.3 Ų64.39%0.08835%0.347CS..EExtended strand (participates in β ladder)trans-113134.2172.9-65.20000110.4C68 W72 E189 K190C68-C79 WeakPolarHBondContact CA-SG 3.39Å; C68-C79 HydrophobicContact CB-CB 3.79Å; C68-C79 WeakPolarHBondContact CB-SG 3.35Å; C68-C79 WeakPolarHBondContact SG-CA 3.26Å; C68-C79 WeakPolarHBondContact SG-CB 3.39Å; C68-C79 CovalentContact SG-SG 2.04Å; C68-C79 PolarHBondContact SG-SG 2.98Å; W72-C79 HydrophobicContact CB-CB 4.24Å; W72-C79 HydrophobicContact CD2-CB 4.45Å; W72-C79 VanDerWaalsContact CE3-C 3.48Å; W72-C79 HydrophobicContact CE3-CB 3.87Å; W72-C79 VanDerWaalsContact CE3-O 3.26Å; W72-C79 VanDerWaalsContact CZ3-O 3.29Å; W72-C79 WeakPolarHBondContact CZ3-O 3.29Å; C79-E189 CarbonylContact O-C 3.22Å; C79-E189 VanDerWaalsContact O-CA 3.31Å; C79-E189 WeakPolarHBondContact O-CA 3.31Å; C79-K190 HydrophobicContact CB-CG 4.17Å; C79-K190 PolarHBondContact N-O 2.98Å; C79-K190 PolarHBondContact O-N 3.05Å
80Y98.5Very high95.6Very high4 Ų466.7 Ų66.72%0.01636%0.357CS..EExtended strand (participates in β ladder)trans-121.4142.5-176.3-56.2-100.6000112.8W72 R73 F75 V104 E111 F114 V115 C188 E189W72-Y80 CarbonylContact C-O 3.53Å; W72-Y80 WeakPolarHBondContact CA-O 3.32Å; W72-Y80 VanDerWaalsContact CE3-C 3.42Å; R73-Y80 PolarHBondContact N-O 2.93Å; R73-Y80 PolarHBondContact O-N 3.1Å; F75-Y80 HydrophobicContact CB-CD2 4.07Å; F75-Y80 HydrophobicContact CB-CE2 3.71Å; F75-Y80 HydrophobicContact CD1-CE2 4.25Å; F75-Y80 HydrophobicContact CG-CE2 4.49Å; Y80-V104 HydrophobicContact CD1-CG2 3.94Å; Y80-V104 HydrophobicContact CE1-CG2 3.64Å; Y80-E111 HydrophobicContact CE1-CG 4.45Å; Y80-E111 VanDerWaalsContact CE1-OE1 3.27Å; Y80-E111 WeakPolarHBondContact CE1-OE1 3.39Å; Y80-E111 VanDerWaalsContact CZ-OE1 3.3Å; Y80-E111 PolarHBondContact OH-OE1 2.83Å; Y80-F114 HydrophobicContact CD1-CE1 4.29Å; Y80-F114 HydrophobicContact CD2-CD1 4.13Å; Y80-F114 AromaticContact CD2-CE1 3.4Å; Y80-F114 HydrophobicContact CD2-CE1 3.4Å; Y80-F114 HydrophobicContact CD2-CZ 4.19Å; Y80-F114 HydrophobicContact CE2-CD1 4.27Å; Y80-F114 AromaticContact CE2-CE1 3.96Å; Y80-F114 HydrophobicContact CE2-CE1 3.96Å; Y80-F114 HydrophobicContact CG-CD1 4.32Å; Y80-F114 AromaticContact CG-CE1 3.6Å; Y80-F114 HydrophobicContact CG-CE1 3.6Å; Y80-V115 HydrophobicContact CD1-CG1 3.99Å; Y80-V115 HydrophobicContact CE1-CG1 3.94Å; Y80-C188 CarbonylContact C-O 3.53Å; Y80-C188 WeakPolarHBondContact CA-O 3.48Å; Y80-E189 HydrophobicContact CD1-CB 4.15Å; Y80-E189 HydrophobicContact CD1-CG 4.08Å; Y80-E189 HydrophobicContact CE1-CB 4.16Å; Y80-E189 HydrophobicContact CE1-CG 3.69Å
81L98.3Very high95.9Very high32 Ų3263.5 Ų63.517%0.16834%0.335CS..EExtended strand (participates in β ladder)trans-137.1121.6176.8178.670.3000110.6G71 W72 I83 C188G71-L81 WeakPolarHBondContact O-CD1 3.36Å; W72-L81 HydrophobicContact CD2-CB 3.56Å; W72-L81 HydrophobicContact CD2-CD2 4.42Å; W72-L81 HydrophobicContact CD2-CG 4.47Å; W72-L81 HydrophobicContact CE3-CB 3.58Å; W72-L81 HydrophobicContact CG-CB 4.16Å; W72-L81 HydrophobicContact CH2-CB 3.92Å; W72-L81 HydrophobicContact CH2-CD2 4.47Å; W72-L81 HydrophobicContact CZ2-CB 3.88Å; W72-L81 HydrophobicContact CZ2-CD2 3.76Å; W72-L81 HydrophobicContact CZ2-CG 4.47Å; W72-L81 HydrophobicContact CZ3-CB 3.77Å; L81-I83 HydrophobicContact CD2-CG2 4.28Å; L81-I83 HydrophobicContact CG-CG2 4.49Å; L81-I83 PolarHBondContact O-N 3.42Å; L81-C188 HydrophobicContact CB-CB 4.33Å; L81-C188 PolarHBondContact N-O 2.98Å; L81-C188 PolarHBondContact O-N 3.1Å
82L97.9Very high96.2Very high49 Ų4960.5 Ų60.526%0.25730%0.304SS..EExtended strand (participates in β ladder)trans-79.4110.5164.7-178.969.5000108.3L118 I119 A123 I187L82-L118 WeakPolarHBondContact CD2-O 3.17Å; L82-I119 HydrophobicContact CD1-CG2 4.09Å; L82-A123 HydrophobicContact CD1-CB 3.97Å; L82-I187 HydrophobicContact CD1-CG1 3.97Å
83I96Very high96.3Very high3 Ų361.7 Ų61.72%0.01531%0.308CS..  trans-70.4142.6176.263.9172.2000110L81 A92 N95 T185 G186 C188L81-I83 HydrophobicContact CD2-CG2 4.28Å; L81-I83 HydrophobicContact CG-CG2 4.49Å; L81-I83 PolarHBondContact O-N 3.42Å; I83-A92 HydrophobicContact CD1-CB 4.06Å; I83-N95 HydrophobicContact CD1-CB 3.95Å; I83-T185 VanDerWaalsContact O-CB 3.26Å; I83-T185 WeakPolarHBondContact O-CB 3.29Å; I83-T185 WeakPolarHBondContact O-CG2 3.06Å; I83-G186 VanDerWaalsContact CG1-N 3.27Å; I83-G186 WeakPolarHBondContact CG1-O 3.49Å; I83-G186 PolarHBondContact N-O 3.12Å; I83-C188 WeakPolarHBondContact CG2-SG 3.37Å
84T93.4Very high96.4Very high122 Ų12259.5 Ų59.575%0.74831%0.305SS*.SBendtrans-85.6-23.7-179.249.40000112.6T86T84-T86 PolarHBondContact O-N 3.06Å
85E94.9Very high96.6Very high84 Ų8454.9 Ų54.939%0.39329%0.29SS..SBendtrans-76120.2-179.5-57.190.2149.100109.8R99E85-R99 IonicContact OE1-NH2 3.7Å
86T97.2Very high96.8Very high93 Ų9352.2 Ų52.257%0.57128%0.278SS*.  trans-79.6140.9174.358.60000110.9T84 M184 T185T84-T86 PolarHBondContact O-N 3.06Å; T86-M184 CarbonylContact C-O 3.37Å; T86-M184 VanDerWaalsContact CA-O 3.28Å; T86-M184 WeakPolarHBondContact CA-O 3.4Å; T86-T185 HydrophobicContact CG2-CG2 4.2Å
87G97.8Very high97.1Very high6 Ų654 Ų546%0.06228%0.277CS..BIsolated β-bridgetrans-163.7173.3175.300000112.9W124 A182 M184G87-W124 PolarHBondContact O-NE1 2.75Å; G87-A182 CarbonylContact C-O 3.57Å; G87-A182 VanDerWaalsContact O-O 3.11Å; G87-M184 PolarHBondContact N-O 3.24Å; G87-M184 PolarHBondContact O-N 3.15Å
88A98.6Very high97.5Very high30 Ų3050.8 Ų50.825%0.24827%0.273CS..  trans-58.1157.3164.800000110.5N90 K91 A92 C180 A182A88-N90 VanDerWaalsContact C-N 3.32Å; A88-N90 PolarHBondContact O-N 3.37Å; A88-K91 WeakPolarHBondContact O-CA 3.42Å; A88-K91 WeakPolarHBondContact O-CB 3.19Å; A88-K91 PolarHBondContact O-N 3.22Å; A88-A92 PolarHBondContact O-N 3.28Å; A88-C180 CarbonylContact C-O 3.58Å; A88-C180 WeakPolarHBondContact CA-O 2.99Å; A88-C180 VanDerWaalsContact CB-O 3.32Å; A88-C180 WeakPolarHBondContact CB-O 3.28Å; A88-A182 WeakPolarHBondContact CA-O 3.23Å
89W98.5Very high97.6Very high11 Ų1154.2 Ų54.24%0.04228%0.282CS..Hα-helixtrans-53.5-47.2-175.6-175.594.8000112.6K91 A92 R93 L103 W124 I125 T128 V138 C165 C180W89-K91 VanDerWaalsContact C-N 3.25Å; W89-K91 PolarHBondContact O-N 2.88Å; W89-A92 PolarHBondContact O-N 3.29Å; W89-R93 HydrophobicContact CH2-CG 4.48Å; W89-R93 HydrophobicContact CZ3-CB 4.42Å; W89-R93 PolarHBondContact O-N 3.44Å; W89-L103 HydrophobicContact CD2-CD1 4.06Å; W89-L103 HydrophobicContact CG-CD1 4.36Å; W89-L103 HydrophobicContact CZ2-CD1 3.8Å; W89-W124 HydrophobicContact CB-CD2 4.05Å; W89-W124 HydrophobicContact CB-CE3 4.45Å; W89-W124 HydrophobicContact CB-CG 4.38Å; W89-W124 HydrophobicContact CB-CZ2 4.31Å; W89-W124 AromaticContact CD1-CD2 3.75Å; W89-W124 AromaticContact CD1-CE3 3.72Å; W89-W124 AromaticContact CD1-CG 3.89Å; W89-W124 HydrophobicContact CG-CD2 4.32Å; W89-W124 HydrophobicContact CG-CG 4.47Å; W89-I125 PolarHBondContact NE1-O 3.11Å; W89-T128 HydrophobicContact CD2-CG2 3.83Å; W89-T128 VanDerWaalsContact CE2-CG2 3.42Å; W89-T128 HydrophobicContact CE3-CG2 4.04Å; W89-T128 HydrophobicContact CH2-CG2 3.51Å; W89-T128 HydrophobicContact CZ2-CG2 3.29Å; W89-T128 HydrophobicContact CZ3-CG2 3.9Å; W89-V138 HydrophobicContact CH2-CG1 3.62Å; W89-V138 HydrophobicContact CZ2-CG1 3.56Å; W89-C165 HydrophobicContact CB-CB 4.03Å; W89-C165 VanDerWaalsContact CB-SG 3.53Å; W89-C165 HydrophobicContact CG-CB 3.89Å; W89-C180 HydrophobicContact CB-CB 4.3Å; W89-C180 PolarHBondContact N-O 3.4Å
90N98.3Very high97.6Very high103 Ų10361.1 Ų61.155%0.55131%0.313SS*.Hα-helixtrans-59.4-37176.3-79.3-28.7000112.2A88 R93 E94A88-N90 VanDerWaalsContact C-N 3.32Å; A88-N90 PolarHBondContact O-N 3.37Å; N90-R93 WeakPolarHBondContact O-CB 3.42Å; N90-R93 PolarHBondContact O-N 3.06Å; N90-E94 WeakPolarHBondContact O-CG 3.45Å; N90-E94 PolarHBondContact O-N 2.9Å
91K98.6Very high97.5Very high100 Ų10061.7 Ų61.744%0.43532%0.32SS..Hα-helixtrans-71.2-39.7178.9-173.361.1-171.8171.60112A88 W89 R93 E94 N95A88-K91 WeakPolarHBondContact O-CA 3.42Å; A88-K91 WeakPolarHBondContact O-CB 3.19Å; A88-K91 PolarHBondContact O-N 3.22Å; W89-K91 VanDerWaalsContact C-N 3.25Å; W89-K91 PolarHBondContact O-N 2.88Å; K91-R93 VanDerWaalsContact C-N 3.29Å; K91-E94 WeakPolarHBondContact CD-OE2 3.48Å; K91-E94 IonicContact NZ-OE2 3.83Å; K91-E94 PolarHBondContact NZ-OE2 2.95Å; K91-E94 PolarHBondContact O-N 3.09Å; K91-N95 PolarHBondContact O-N 2.76Å; K91-N95 PolarHBondContact O-ND2 2.86Å
92A98.4Very high97.6Very high0 Ų061.7 Ų61.70%032%0.32CS..Hα-helixtrans-61.7-40.917300000111I83 A88 W89 N95 C96 L103 W124I83-A92 HydrophobicContact CD1-CB 4.06Å; A88-A92 PolarHBondContact O-N 3.28Å; W89-A92 PolarHBondContact O-N 3.29Å; A92-N95 WeakPolarHBondContact O-CB 3.35Å; A92-N95 PolarHBondContact O-N 2.88Å; A92-C96 PolarHBondContact O-N 3.01Å; A92-C96 PolarHBondContact O-SG 2.95Å; A92-C96 VanDerWaalsContact O-SG 3.41Å; A92-L103 HydrophobicContact CB-CD2 4.17Å; A92-W124 HydrophobicContact CB-CB 4.44Å; A92-W124 HydrophobicContact CB-CG 4.43Å
93R98.4Very high97.6Very high56 Ų5659.4 Ų59.421%0.21131%0.308CS..Hα-helixtrans-61.5-47.6174.2-160.4-175.7176.2177.1-0.5113.1W89 N90 K91 N95 C96 K97 D102 L103 V138W89-R93 HydrophobicContact CH2-CG 4.48Å; W89-R93 HydrophobicContact CZ3-CB 4.42Å; W89-R93 PolarHBondContact O-N 3.44Å; N90-R93 WeakPolarHBondContact O-CB 3.42Å; N90-R93 PolarHBondContact O-N 3.06Å; K91-R93 VanDerWaalsContact C-N 3.29Å; R93-N95 VanDerWaalsContact C-N 3.28Å; R93-N95 PolarHBondContact O-N 3.39Å; R93-C96 PolarHBondContact O-N 3.1Å; R93-K97 PolarHBondContact O-N 2.97Å; R93-D102 WeakPolarHBondContact CD-OD1 3.04Å; R93-D102 WeakPolarHBondContact CG-OD1 3.29Å; R93-D102 IonicContact CZ-OD1 2.93Å; R93-D102 IonicContact CZ-OD2 2.73Å; R93-D102 IonicContact NE-OD1 2.81Å; R93-D102 PolarHBondContact NE-OD1 3.29Å; R93-D102 IonicContact NE-OD2 3.05Å; R93-D102 PolarHBondContact NE-OD2 3.21Å; R93-D102 VanDerWaalsContact NE-OD2 3.12Å; R93-D102 IonicContact NH2-OD1 3.72Å; R93-D102 IonicContact NH2-OD2 3.41Å; R93-D102 PolarHBondContact NH2-OD2 3.43Å; R93-L103 HydrophobicContact CB-CD1 3.79Å; R93-L103 HydrophobicContact CB-CG 4.19Å; R93-L103 HydrophobicContact CG-CD1 4.17Å; R93-L103 HydrophobicContact CG-CG 4.32Å; R93-V138 VanDerWaalsContact CZ-CG1 3.48Å; R93-V138 PolarHBondContact NH2-O 2.82Å
94E98.5Very high97.7Very high105 Ų10559.3 Ų59.349%0.49131%0.308SS..Hα-helixtrans-56.1-43.4173.9-76.3172.5-167.600111.9N90 K91 K97 S98N90-E94 WeakPolarHBondContact O-CG 3.45Å; N90-E94 PolarHBondContact O-N 2.9Å; K91-E94 WeakPolarHBondContact CD-OE2 3.48Å; K91-E94 IonicContact NZ-OE2 3.83Å; K91-E94 PolarHBondContact NZ-OE2 2.95Å; K91-E94 PolarHBondContact O-N 3.09Å; E94-K97 PolarHBondContact O-N 3.09Å; E94-S98 PolarHBondContact O-N 2.95Å
95N98.1Very high98Very high30 Ų3054 Ų5416%0.1628%0.275CS..Hα-helixtrans-60.3-45.7176.9-76.4-29.7000111.2I83 K91 A92 R93 S98 R99I83-N95 HydrophobicContact CD1-CB 3.95Å; K91-N95 PolarHBondContact O-N 2.76Å; K91-N95 PolarHBondContact O-ND2 2.86Å; A92-N95 WeakPolarHBondContact O-CB 3.35Å; A92-N95 PolarHBondContact O-N 2.88Å; R93-N95 VanDerWaalsContact C-N 3.28Å; R93-N95 PolarHBondContact O-N 3.39Å; N95-S98 PolarHBondContact O-N 2.93Å; N95-S98 PolarHBondContact O-OG 2.8Å; N95-R99 WeakPolarHBondContact O-CG 3.27Å
96C98.5Very high98.2Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-62-44.2175-61.60000112.6A92 R93 S98 R99 G101 D102 C188A92-C96 PolarHBondContact O-N 3.01Å; A92-C96 PolarHBondContact O-SG 2.95Å; A92-C96 VanDerWaalsContact O-SG 3.41Å; R93-C96 PolarHBondContact O-N 3.1Å; C96-S98 VanDerWaalsContact C-N 3.34Å; C96-S98 PolarHBondContact O-N 2.04Å; C96-R99 CarbonylContact O-C 3.55Å; C96-R99 WeakPolarHBondContact O-CA 3.43Å; C96-R99 PolarHBondContact O-N 2.7Å; C96-G101 CarbonylContact C-O 3.51Å; C96-G101 VanDerWaalsContact C-O 3.29Å; C96-G101 CarbonylContact O-C 3.58Å; C96-G101 PolarHBondContact O-N 3.4Å; C96-G101 VanDerWaalsContact O-N 3.09Å; C96-D102 VanDerWaalsContact CB-C 3.41Å; C96-C188 WeakPolarHBondContact CA-SG 3.44Å; C96-C188 HydrophobicContact CB-CB 3.65Å; C96-C188 WeakPolarHBondContact CB-SG 3.32Å; C96-C188 WeakPolarHBondContact SG-CA 3.41Å; C96-C188 WeakPolarHBondContact SG-CB 3.24Å; C96-C188 CovalentContact SG-SG 2.04Å; C96-C188 PolarHBondContact SG-SG 3.41Å
97K98.4Very high98.2Very high112 Ų11249.9 Ų49.949%0.48725%0.252SS..Hα-helixtrans-59.9-40.2176.7-75.2-172.2173.1-174.90113.4R93 E94 R99 E100 G101 D102R93-K97 PolarHBondContact O-N 2.97Å; E94-K97 PolarHBondContact O-N 3.09Å; K97-R99 PolarHBondContact O-N 3.38Å; K97-R99 VanDerWaalsContact O-N 3.1Å; K97-E100 PolarHBondContact O-N 2.9Å; K97-E100 VanDerWaalsContact O-N 3.12Å; K97-G101 WeakPolarHBondContact CA-O 3.49Å; K97-G101 PolarHBondContact N-O 3.26Å; K97-D102 WeakPolarHBondContact CE-OD2 3.48Å; K97-D102 IonicContact NZ-OD2 3.12Å
98S97.8Very high98.2Very high88 Ų8853.1 Ų53.162%0.61527%0.268SS*.THydrogen-bonded Turntrans-63.6-13.7174.7760000114.1E94 N95 C96E94-S98 PolarHBondContact O-N 2.95Å; N95-S98 PolarHBondContact O-N 2.93Å; N95-S98 PolarHBondContact O-OG 2.8Å; C96-S98 VanDerWaalsContact C-N 3.34Å; C96-S98 PolarHBondContact O-N 2.04Å
99R96.6Very high98.2Very high98 Ų9855 Ų5537%0.3727%0.274SS..THydrogen-bonded Turntrans-108.719.3178.9-57-178.1-178.1-60.43.2113W72 E85 N95 C96 K97 G101 K190W72-R99 HydrophobicContact CH2-CB 4.49Å; W72-R99 HydrophobicContact CZ2-CB 3.82Å; E85-R99 IonicContact OE1-NH2 3.7Å; N95-R99 WeakPolarHBondContact O-CG 3.27Å; C96-R99 CarbonylContact O-C 3.55Å; C96-R99 WeakPolarHBondContact O-CA 3.43Å; C96-R99 PolarHBondContact O-N 2.7Å; K97-R99 PolarHBondContact O-N 3.38Å; K97-R99 VanDerWaalsContact O-N 3.1Å; R99-G101 VanDerWaalsContact C-N 3.26Å; R99-G101 PolarHBondContact O-N 3.1Å; R99-K190 PolarHBondContact O-NZ 3.02Å; R99-K190 VanDerWaalsContact O-NZ 3.1Å
100E96.6Very high98.2Very high158 Ų15859.5 Ų59.574%0.73830%0.299SS*.THydrogen-bonded Turntrans62.830-179.4-54.1164.7-136.900113K97 K190K97-E100 PolarHBondContact O-N 2.9Å; K97-E100 VanDerWaalsContact O-N 3.12Å; E100-K190 WeakPolarHBondContact O-CB 3.44Å; E100-K190 WeakPolarHBondContact O-CD 3.26Å
101G97.6Very high98.2Very high15 Ų1554.9 Ų54.916%0.15527%0.274CS..  trans-131.5-166.117200000112.4C96 K97 R99 E189C96-G101 CarbonylContact C-O 3.51Å; C96-G101 VanDerWaalsContact C-O 3.29Å; C96-G101 CarbonylContact O-C 3.58Å; C96-G101 PolarHBondContact O-N 3.4Å; C96-G101 VanDerWaalsContact O-N 3.09Å; K97-G101 WeakPolarHBondContact CA-O 3.49Å; K97-G101 PolarHBondContact N-O 3.26Å; R99-G101 VanDerWaalsContact C-N 3.26Å; R99-G101 PolarHBondContact O-N 3.1Å; G101-E189 CarbonylContact C-O 3.56Å; G101-E189 WeakPolarHBondContact CA-O 3.39Å
102D98.8Very high98.1Very high33 Ų3350.4 Ų50.418%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-137.5177.6167.9-149.5-29.9000108.7R93 C96 K97 V138 C188 E189R93-D102 WeakPolarHBondContact CD-OD1 3.04Å; R93-D102 WeakPolarHBondContact CG-OD1 3.29Å; R93-D102 IonicContact CZ-OD1 2.93Å; R93-D102 IonicContact CZ-OD2 2.73Å; R93-D102 IonicContact NE-OD1 2.81Å; R93-D102 PolarHBondContact NE-OD1 3.29Å; R93-D102 IonicContact NE-OD2 3.05Å; R93-D102 PolarHBondContact NE-OD2 3.21Å; R93-D102 VanDerWaalsContact NE-OD2 3.12Å; R93-D102 IonicContact NH2-OD1 3.72Å; R93-D102 IonicContact NH2-OD2 3.41Å; R93-D102 PolarHBondContact NH2-OD2 3.43Å; C96-D102 VanDerWaalsContact CB-C 3.41Å; K97-D102 WeakPolarHBondContact CE-OD2 3.48Å; K97-D102 IonicContact NZ-OD2 3.12Å; D102-V138 HydrophobicContact CB-CG2 4.16Å; D102-C188 CarbonylContact O-C 3.29Å; D102-C188 VanDerWaalsContact O-CA 3.22Å; D102-C188 WeakPolarHBondContact O-CA 3.35Å; D102-E189 PolarHBondContact N-O 2.93Å; D102-E189 PolarHBondContact O-N 2.8Å
103L98.8Very high98.1Very high1 Ų154.6 Ų54.61%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-61.3143.2168.7-76.1169.7000109.8W89 A92 R93 W124 G126 V138 I187W89-L103 HydrophobicContact CD2-CD1 4.06Å; W89-L103 HydrophobicContact CG-CD1 4.36Å; W89-L103 HydrophobicContact CZ2-CD1 3.8Å; A92-L103 HydrophobicContact CB-CD2 4.17Å; R93-L103 HydrophobicContact CB-CD1 3.79Å; R93-L103 HydrophobicContact CB-CG 4.19Å; R93-L103 HydrophobicContact CG-CD1 4.17Å; R93-L103 HydrophobicContact CG-CG 4.32Å; L103-W124 HydrophobicContact CD1-CB 4.46Å; L103-W124 HydrophobicContact CD2-CB 4.27Å; L103-G126 VanDerWaalsContact CB-CA 3.45Å; L103-V138 HydrophobicContact CB-CG1 4.48Å; L103-V138 WeakPolarHBondContact O-CG2 3.32Å; L103-I187 CarbonylContact C-O 3.58Å; L103-I187 WeakPolarHBondContact CA-O 3.12Å
104V98.8Very high98.1Very high0 Ų053.8 Ų53.80%027%0.274CS..  trans-56.6136.4-172.265.30000113.3Y80 I106 V115 I125 G126 I187 E189Y80-V104 HydrophobicContact CD1-CG2 3.94Å; Y80-V104 HydrophobicContact CE1-CG2 3.64Å; V104-I106 HydrophobicContact CG1-CG1 4.44Å; V104-I106 HydrophobicContact CG2-CG1 4.24Å; V104-V115 HydrophobicContact CG2-CG1 3.98Å; V104-I125 HydrophobicContact CG1-CB 3.95Å; V104-I125 HydrophobicContact CG1-CG2 3.69Å; V104-G126 WeakPolarHBondContact O-CA 3.39Å; V104-G126 PolarHBondContact O-N 3.2Å; V104-I187 HydrophobicContact CB-CB 4.31Å; V104-I187 HydrophobicContact CB-CG2 4.08Å; V104-I187 HydrophobicContact CG1-CB 3.76Å; V104-I187 HydrophobicContact CG1-CG2 3.94Å; V104-I187 PolarHBondContact N-O 2.92Å; V104-E189 HydrophobicContact CB-CB 4.12Å; V104-E189 HydrophobicContact CG2-CB 4.11Å; V104-E189 WeakPolarHBondContact CG2-OE2 3.4Å
105V98.7Very high98.1Very high12 Ų1248.8 Ų48.87%0.07325%0.251CS..  trans-106.1119.1171175.40000107.3N107 W137 V138 D139 E189V105-N107 PolarHBondContact O-ND2 3.5Å; V105-N107 VanDerWaalsContact O-ND2 3.1Å; V105-W137 HydrophobicContact CB-CD2 4.48Å; V105-W137 HydrophobicContact CB-CE3 4.23Å; V105-W137 HydrophobicContact CG1-CB 4.01Å; V105-W137 HydrophobicContact CG1-CD2 3.82Å; V105-W137 HydrophobicContact CG1-CE3 4.05Å; V105-W137 HydrophobicContact CG1-CG 3.8Å; V105-W137 HydrophobicContact CG2-CB 4.07Å; V105-W137 HydrophobicContact CG2-CE3 4.27Å; V105-V138 HydrophobicContact CG2-CG2 3.59Å; V105-D139 HydrophobicContact CG2-CB 4.34Å; V105-E189 PolarHBondContact N-OE2 3.07Å
106I98.6Very high98.1Very high0 Ų052.1 Ų52.10%026%0.261CS..  trans-94.7110.1-173.6-57.5174.9000108.7V104 E111 Q112 V115 I125 W137 L147 I168 W175V104-I106 HydrophobicContact CG1-CG1 4.44Å; V104-I106 HydrophobicContact CG2-CG1 4.24Å; I106-E111 HydrophobicContact CG2-CB 4.44Å; I106-E111 HydrophobicContact CG2-CG 4.3Å; I106-Q112 HydrophobicContact CG2-CB 3.82Å; I106-V115 HydrophobicContact CD1-CG2 3.75Å; I106-V115 HydrophobicContact CG1-CG2 4.28Å; I106-I125 HydrophobicContact CD1-CD1 4.27Å; I106-I125 HydrophobicContact CD1-CG2 4.27Å; I106-W137 HydrophobicContact CB-CH2 3.77Å; I106-W137 HydrophobicContact CB-CZ2 4.33Å; I106-W137 HydrophobicContact CB-CZ3 4.39Å; I106-W137 HydrophobicContact CG1-CH2 4.14Å; I106-W137 HydrophobicContact CG1-CZ3 4.39Å; I106-L147 VanDerWaalsContact O-CD1 3.23Å; I106-L147 WeakPolarHBondContact O-CD1 3.22Å; I106-I168 HydrophobicContact CD1-CD1 4.35Å; I106-W175 HydrophobicContact CB-CZ2 4.05Å; I106-W175 HydrophobicContact CD1-CZ2 3.83Å; I106-W175 HydrophobicContact CG1-CZ2 4.49Å; I106-W175 HydrophobicContact CG2-CZ2 4.11Å
107N97.4Very high98Very high89 Ų8955.9 Ų55.948%0.47629%0.292SS..  trans-90.8-29.5-171.6-60.7-74.3000112.9V105 E111V105-N107 PolarHBondContact O-ND2 3.5Å; V105-N107 VanDerWaalsContact O-ND2 3.1Å; N107-E111 WeakPolarHBondContact CB-OE2 3.41Å; N107-E111 PolarHBondContact N-OE2 2.7Å; N107-E111 PolarHBondContact ND2-OE2 3.48Å
108D97.8Very high97.9Very high74 Ų7451.4 Ų51.440%0.39627%0.274SS..SBendtrans-152.8179.3-175.364.848.7000114D110 E111 Q112D108-D110 WeakPolarHBondContact OD1-CA 3.49Å; D108-D110 PolarHBondContact OD1-N 2.64Å; D108-E111 PolarHBondContact OD1-N 2.73Å; D108-Q112 PolarHBondContact O-N 2.85Å
109D98.3Very high97.8Very high70 Ų7047.5 Ų47.537%0.37425%0.246SC..Hα-helixtrans-64-37.4179-66.8-106.7000113.7Q112 I113 K149 F150D109-Q112 PolarHBondContact O-N 3.1Å; D109-I113 WeakPolarHBondContact O-CB 3.15Å; D109-I113 WeakPolarHBondContact O-CD1 3.45Å; D109-I113 WeakPolarHBondContact O-CG1 3.13Å; D109-I113 PolarHBondContact O-N 3.33Å; D109-K149 WeakPolarHBondContact OD1-CE 3.2Å; D109-K149 IonicContact OD1-NZ 2.73Å; D109-K149 PolarHBondContact OD1-NZ 3.44Å; D109-K149 IonicContact OD2-NZ 2.64Å; D109-K149 PolarHBondContact OD2-NZ 3.33Å; D109-F150 HydrophobicContact CB-CZ 4.17Å
110D98.4Very high97.6Very high106 Ų10651.5 Ų51.557%0.56727%0.266SS*.Hα-helixtrans-72.9-39.5-176.3-69.7-28.7000110.2F75 D108 I113 F114F75-D110 HydrophobicContact CZ-CB 3.89Å; F75-D110 WeakPolarHBondContact CZ-O 3.35Å; D108-D110 WeakPolarHBondContact OD1-CA 3.49Å; D108-D110 PolarHBondContact OD1-N 2.64Å; D110-I113 PolarHBondContact O-N 3.03Å; D110-F114 PolarHBondContact O-N 3.2Å
111E98.4Very high97.6Very high6 Ų647.8 Ų47.83%0.02825%0.254CS..Hα-helixtrans-61.8-47.9171-177.6165.7-147.400111.5F75 Y80 I106 N107 D108 I113 F114 V115F75-E111 HydrophobicContact CE1-CB 4.18Å; Y80-E111 HydrophobicContact CE1-CG 4.45Å; Y80-E111 VanDerWaalsContact CE1-OE1 3.27Å; Y80-E111 WeakPolarHBondContact CE1-OE1 3.39Å; Y80-E111 VanDerWaalsContact CZ-OE1 3.3Å; Y80-E111 PolarHBondContact OH-OE1 2.83Å; I106-E111 HydrophobicContact CG2-CB 4.44Å; I106-E111 HydrophobicContact CG2-CG 4.3Å; N107-E111 WeakPolarHBondContact CB-OE2 3.41Å; N107-E111 PolarHBondContact N-OE2 2.7Å; N107-E111 PolarHBondContact ND2-OE2 3.48Å; D108-E111 PolarHBondContact OD1-N 2.73Å; E111-I113 VanDerWaalsContact C-N 3.26Å; E111-I113 PolarHBondContact O-N 3.08Å; E111-F114 PolarHBondContact O-N 3.27Å; E111-F114 VanDerWaalsContact O-N 3.09Å; E111-V115 HydrophobicContact CG-CG1 4.16Å; E111-V115 WeakPolarHBondContact O-CG1 3.03Å; E111-V115 WeakPolarHBondContact O-CG2 3.34Å; E111-V115 PolarHBondContact O-N 3Å
112Q98.1Very high97.6Very high5 Ų547.9 Ų47.92%0.02325%0.252CS..Hα-helixtrans-54.8-43174.3174.259.833.900111.7I106 D108 D109 F114 R116 F150 R173I106-Q112 HydrophobicContact CG2-CB 3.82Å; D108-Q112 PolarHBondContact O-N 2.85Å; D109-Q112 PolarHBondContact O-N 3.1Å; Q112-F114 VanDerWaalsContact C-N 3.35Å; Q112-R116 WeakPolarHBondContact O-CB 3.23Å; Q112-R116 VanDerWaalsContact O-CG 3.3Å; Q112-R116 WeakPolarHBondContact O-CG 3.3Å; Q112-R116 PolarHBondContact O-N 3.38Å; Q112-F150 HydrophobicContact CB-CD1 4.36Å; Q112-F150 HydrophobicContact CB-CD2 4.26Å; Q112-F150 HydrophobicContact CB-CE1 4.05Å; Q112-F150 HydrophobicContact CB-CE2 3.9Å; Q112-F150 HydrophobicContact CB-CG 4.48Å; Q112-F150 HydrophobicContact CB-CZ 3.82Å; Q112-F150 HydrophobicContact CG-CD1 3.62Å; Q112-F150 HydrophobicContact CG-CD2 4.12Å; Q112-F150 HydrophobicContact CG-CE1 3.71Å; Q112-F150 HydrophobicContact CG-CE2 4.17Å; Q112-F150 HydrophobicContact CG-CG 3.85Å; Q112-F150 HydrophobicContact CG-CZ 4Å; Q112-R173 PolarHBondContact NE2-O 2.85Å
113I98.3Very high97.6Very high88 Ų8846.3 Ų46.345%0.45124%0.244SC..Hα-helixtrans-64-42.2178.7-73.3163.8000110.9D109 D110 E111 R116D109-I113 WeakPolarHBondContact O-CB 3.15Å; D109-I113 WeakPolarHBondContact O-CD1 3.45Å; D109-I113 WeakPolarHBondContact O-CG1 3.13Å; D109-I113 PolarHBondContact O-N 3.33Å; D110-I113 PolarHBondContact O-N 3.03Å; E111-I113 VanDerWaalsContact C-N 3.26Å; E111-I113 PolarHBondContact O-N 3.08Å; I113-R116 WeakPolarHBondContact O-CG 3.44Å
114F98.4Very high97.6Very high39 Ų3946.2 Ų46.217%0.17124%0.244CC..Hα-helixtrans-66.1-53.2178.4174-99.7000111.9R73 F75 Y80 D110 E111 Q112 R116 A117 L118R73-F114 HydrophobicContact CB-CZ 3.95Å; F75-F114 HydrophobicContact CB-CD1 3.55Å; F75-F114 HydrophobicContact CB-CD2 3.72Å; F75-F114 HydrophobicContact CB-CE1 3.5Å; F75-F114 HydrophobicContact CB-CE2 3.66Å; F75-F114 HydrophobicContact CB-CG 3.67Å; F75-F114 HydrophobicContact CB-CZ 3.55Å; F75-F114 HydrophobicContact CD1-CB 4.02Å; F75-F114 HydrophobicContact CD1-CD1 4.03Å; F75-F114 AromaticContact CD1-CG 3.98Å; F75-F114 HydrophobicContact CD1-CG 3.98Å; F75-F114 HydrophobicContact CD2-CB 3.78Å; F75-F114 HydrophobicContact CD2-CD1 4.32Å; F75-F114 AromaticContact CD2-CD2 3.53Å; F75-F114 HydrophobicContact CD2-CD2 3.53Å; F75-F114 HydrophobicContact CD2-CE2 4.19Å; F75-F114 AromaticContact CD2-CG 3.6Å; F75-F114 HydrophobicContact CD2-CG 3.6Å; F75-F114 HydrophobicContact CE1-CB 4.14Å; F75-F114 HydrophobicContact CE2-CB 3.9Å; F75-F114 HydrophobicContact CE2-CD2 4.34Å; F75-F114 HydrophobicContact CE2-CG 4.24Å; F75-F114 HydrophobicContact CG-CB 3.85Å; F75-F114 AromaticContact CG-CD1 3.71Å; F75-F114 HydrophobicContact CG-CD1 3.71Å; F75-F114 AromaticContact CG-CD2 3.73Å; F75-F114 HydrophobicContact CG-CD2 3.73Å; F75-F114 HydrophobicContact CG-CE1 4.19Å; F75-F114 HydrophobicContact CG-CE2 4.2Å; F75-F114 AromaticContact CG-CG 3.46Å; F75-F114 HydrophobicContact CG-CG 3.46Å; F75-F114 VanDerWaalsContact CG-CG 3.46Å; F75-F114 HydrophobicContact CG-CZ 4.41Å; F75-F114 HydrophobicContact CZ-CB 4.08Å; Y80-F114 HydrophobicContact CD1-CE1 4.29Å; Y80-F114 HydrophobicContact CD2-CD1 4.13Å; Y80-F114 AromaticContact CD2-CE1 3.4Å; Y80-F114 HydrophobicContact CD2-CE1 3.4Å; Y80-F114 HydrophobicContact CD2-CZ 4.19Å; Y80-F114 HydrophobicContact CE2-CD1 4.27Å; Y80-F114 AromaticContact CE2-CE1 3.96Å; Y80-F114 HydrophobicContact CE2-CE1 3.96Å; Y80-F114 HydrophobicContact CG-CD1 4.32Å; Y80-F114 AromaticContact CG-CE1 3.6Å; Y80-F114 HydrophobicContact CG-CE1 3.6Å; D110-F114 PolarHBondContact O-N 3.2Å; E111-F114 PolarHBondContact O-N 3.27Å; E111-F114 VanDerWaalsContact O-N 3.09Å; Q112-F114 VanDerWaalsContact C-N 3.35Å; F114-R116 PolarHBondContact O-N 3.37Å; F114-A117 WeakPolarHBondContact O-CB 3.41Å; F114-A117 PolarHBondContact O-N 2.91Å; F114-A117 VanDerWaalsContact O-N 3.11Å; F114-L118 HydrophobicContact CD1-CD1 4.5Å; F114-L118 HydrophobicContact CE1-CD1 3.92Å; F114-L118 HydrophobicContact CE1-CD2 4.3Å; F114-L118 HydrophobicContact CE1-CG 4.37Å; F114-L118 HydrophobicContact CE2-CD2 4.43Å; F114-L118 HydrophobicContact CZ-CD1 4.4Å; F114-L118 HydrophobicContact CZ-CD2 4.02Å
115V98Very high97.6Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-65.7-37.4-172.8-60.50000112.3Y80 V104 I106 E111 A117 L118 I168 I187Y80-V115 HydrophobicContact CD1-CG1 3.99Å; Y80-V115 HydrophobicContact CE1-CG1 3.94Å; V104-V115 HydrophobicContact CG2-CG1 3.98Å; I106-V115 HydrophobicContact CD1-CG2 3.75Å; I106-V115 HydrophobicContact CG1-CG2 4.28Å; E111-V115 HydrophobicContact CG-CG1 4.16Å; E111-V115 WeakPolarHBondContact O-CG1 3.03Å; E111-V115 WeakPolarHBondContact O-CG2 3.34Å; E111-V115 PolarHBondContact O-N 3Å; V115-A117 PolarHBondContact O-N 3.41Å; V115-L118 VanDerWaalsContact O-CB 3.29Å; V115-L118 WeakPolarHBondContact O-CB 3.26Å; V115-L118 PolarHBondContact O-N 3.4Å; V115-I168 HydrophobicContact CB-CD1 4.39Å; V115-I168 HydrophobicContact CG2-CD1 3.65Å; V115-I187 HydrophobicContact CB-CD1 4.23Å
116R97.2Very high97.6Very high100 Ų10045.7 Ų45.738%0.37724%0.24SC..Hα-helixtrans-68.4-20.1178.680.8-172.1178.7119.2-1.1113Q112 I113 F114 L118 I119 I168 R173Q112-R116 WeakPolarHBondContact O-CB 3.23Å; Q112-R116 VanDerWaalsContact O-CG 3.3Å; Q112-R116 WeakPolarHBondContact O-CG 3.3Å; Q112-R116 PolarHBondContact O-N 3.38Å; I113-R116 WeakPolarHBondContact O-CG 3.44Å; F114-R116 PolarHBondContact O-N 3.37Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-I119 VanDerWaalsContact O-CG1 3.23Å; R116-I119 WeakPolarHBondContact O-CG1 3.09Å; R116-I168 HydrophobicContact CB-CD1 4.4Å; R116-I168 HydrophobicContact CB-CG2 4.18Å; R116-R173 HydrophobicContact CB-CB 4.09Å; R116-R173 HydrophobicContact CG-CB 4.21Å
117A97Very high97.6Very high79 Ų7945.7 Ų45.765%0.65324%0.24SC*.Hα-helixtrans-81.3-14.317500000112.7F114 V115F114-A117 WeakPolarHBondContact O-CB 3.41Å; F114-A117 PolarHBondContact O-N 2.91Å; F114-A117 VanDerWaalsContact O-N 3.11Å; V115-A117 PolarHBondContact O-N 3.41Å
118L95.9Very high97.6Very high18 Ų1842.9 Ų42.99%0.09423%0.226CC..Hα-helixtrans-74.5-33.9176.2-57.2-178.5000112L82 F114 V115 R116 I187L82-L118 WeakPolarHBondContact CD2-O 3.17Å; F114-L118 HydrophobicContact CD1-CD1 4.5Å; F114-L118 HydrophobicContact CE1-CD1 3.92Å; F114-L118 HydrophobicContact CE1-CD2 4.3Å; F114-L118 HydrophobicContact CE1-CG 4.37Å; F114-L118 HydrophobicContact CE2-CD2 4.43Å; F114-L118 HydrophobicContact CZ-CD1 4.4Å; F114-L118 HydrophobicContact CZ-CD2 4.02Å; V115-L118 VanDerWaalsContact O-CB 3.29Å; V115-L118 WeakPolarHBondContact O-CB 3.26Å; V115-L118 PolarHBondContact O-N 3.4Å; R116-L118 VanDerWaalsContact C-N 3.33Å; L118-I187 HydrophobicContact CD1-CG2 4.17Å
119I96.1Very high97.4Very high7 Ų741 Ų414%0.03622%0.215CC..  trans-80.3138.6-167.262.5149.6000112.6L82 R116 T121 A123 I168 R173 I187L82-I119 HydrophobicContact CD1-CG2 4.09Å; R116-I119 VanDerWaalsContact O-CG1 3.23Å; R116-I119 WeakPolarHBondContact O-CG1 3.09Å; I119-T121 WeakPolarHBondContact CB-O 3.18Å; I119-A123 HydrophobicContact CG2-CB 3.66Å; I119-I168 HydrophobicContact CD1-CB 3.99Å; I119-I168 HydrophobicContact CD1-CG2 3.46Å; I119-I168 VanDerWaalsContact CD1-CG2 3.46Å; I119-I168 HydrophobicContact CG1-CG2 4.33Å; I119-R173 VanDerWaalsContact CG1-NH1 3.33Å; I119-R173 PolarHBondContact O-NH1 3Å; I119-I187 HydrophobicContact CG2-CD1 3.59Å; I119-I187 HydrophobicContact CG2-CG1 4.11Å
120K93.4Very high96.6Very high182 Ų18243.6 Ų43.679%0.79123%0.225SC*.SBendtrans-98.5-52.8168.8-66.5-176.5-178.6178.90110.1
121T96.1Very high95.7Very high79 Ų7942.9 Ų42.949%0.48523%0.225SC..SBendtrans-103.2170.9170.353.50000109.9I119I119-T121 WeakPolarHBondContact CB-O 3.18Å
122S97.8Very high94.7Very high17 Ų1750.7 Ų50.712%0.11926%0.261CS..  trans-57.3149.2176.8-54.20000112.2Q167 I168 D170 T185S122-Q167 PolarHBondContact OG-OE1 2.9Å; S122-I168 VanDerWaalsContact CA-O 3.28Å; S122-I168 WeakPolarHBondContact CA-O 3.48Å; S122-I168 WeakPolarHBondContact CB-O 3.26Å; S122-D170 PolarHBondContact OG-N 3.32Å; S122-D170 PolarHBondContact OG-OD1 2.91Å; S122-T185 PolarHBondContact O-OG1 3.11Å; S122-T185 VanDerWaalsContact O-OG1 3.08Å
123A98.6Very high93.8Very high0 Ų053.3 Ų53.30%029%0.289CS..EExtended strand (participates in β ladder)trans-142.9141.9-178.900000112.4L82 I119 Q167 I168 T185 I187L82-A123 HydrophobicContact CD1-CB 3.97Å; I119-A123 HydrophobicContact CG2-CB 3.66Å; A123-Q167 CarbonylContact O-C 3.59Å; A123-Q167 WeakPolarHBondContact O-CA 3.33Å; A123-Q167 WeakPolarHBondContact O-CB 3.38Å; A123-I168 PolarHBondContact N-O 2.84Å; A123-I168 PolarHBondContact O-N 2.92Å; A123-T185 CarbonylContact C-O 3.55Å; A123-T185 WeakPolarHBondContact CA-O 3.23Å; A123-T185 WeakPolarHBondContact CB-OG1 3.43Å; A123-I187 HydrophobicContact CB-CD1 4.32Å; A123-I187 HydrophobicContact CB-CG1 3.93Å
124W98.8Very high93.4Very high0 Ų051.7 Ų51.70%029%0.286CS..EExtended strand (participates in β ladder)trans-61.6140.6171.9-65.4127000111.8G87 W89 A92 L103 C165 Q167 D178 K179 A182 M184 T185 I187G87-W124 PolarHBondContact O-NE1 2.75Å; W89-W124 HydrophobicContact CB-CD2 4.05Å; W89-W124 HydrophobicContact CB-CE3 4.45Å; W89-W124 HydrophobicContact CB-CG 4.38Å; W89-W124 HydrophobicContact CB-CZ2 4.31Å; W89-W124 AromaticContact CD1-CD2 3.75Å; W89-W124 AromaticContact CD1-CE3 3.72Å; W89-W124 AromaticContact CD1-CG 3.89Å; W89-W124 HydrophobicContact CG-CD2 4.32Å; W89-W124 HydrophobicContact CG-CG 4.47Å; A92-W124 HydrophobicContact CB-CB 4.44Å; A92-W124 HydrophobicContact CB-CG 4.43Å; L103-W124 HydrophobicContact CD1-CB 4.46Å; L103-W124 HydrophobicContact CD2-CB 4.27Å; W124-C165 HydrophobicContact CE3-CB 4.2Å; W124-C165 HydrophobicContact CH2-CB 4.14Å; W124-C165 HydrophobicContact CZ3-CB 3.7Å; W124-Q167 HydrophobicContact CE3-CB 3.94Å; W124-Q167 HydrophobicContact CZ3-CB 4.13Å; W124-D178 HydrophobicContact CH2-CB 3.99Å; W124-D178 HydrophobicContact CZ3-CB 4.14Å; W124-K179 WeakPolarHBondContact CH2-O 3.41Å; W124-A182 HydrophobicContact CH2-CB 4.11Å; W124-A182 HydrophobicContact CZ2-CB 3.91Å; W124-A182 WeakPolarHBondContact CZ2-O 3.48Å; W124-M184 VanDerWaalsContact CD1-CG 3.43Å; W124-M184 HydrophobicContact CD2-CE 4.22Å; W124-M184 HydrophobicContact CD2-CG 3.66Å; W124-M184 HydrophobicContact CD2-SD 3.49Å; W124-M184 VanDerWaalsContact CE2-SD 3.59Å; W124-M184 HydrophobicContact CE3-CE 4.21Å; W124-M184 HydrophobicContact CE3-CG 4.45Å; W124-M184 HydrophobicContact CE3-SD 3.68Å; W124-M184 HydrophobicContact CG-CG 3.75Å; W124-M184 HydrophobicContact CG-SD 4.01Å; W124-M184 HydrophobicContact CH2-CE 3.48Å; W124-M184 VanDerWaalsContact CH2-CE 3.48Å; W124-M184 HydrophobicContact CH2-SD 4.06Å; W124-M184 HydrophobicContact CZ2-CE 3.49Å; W124-M184 VanDerWaalsContact CZ2-CE 3.49Å; W124-M184 HydrophobicContact CZ2-CG 3.96Å; W124-M184 HydrophobicContact CZ2-SD 3.91Å; W124-M184 HydrophobicContact CZ3-CE 3.85Å; W124-M184 HydrophobicContact CZ3-SD 3.95Å; W124-T185 PolarHBondContact N-O 2.86Å; W124-I187 PolarHBondContact O-N 3.2Å; W124-I187 VanDerWaalsContact O-N 3.1Å
125I98.8Very high93.4Very high0 Ų050.6 Ų50.60%028%0.281CS..EExtended strand (participates in β ladder)trans-116.9167.3166.759.4171.7000109.6W89 V104 I106 L127 W137 A166 I168 W175 I187W89-I125 PolarHBondContact NE1-O 3.11Å; V104-I125 HydrophobicContact CG1-CB 3.95Å; V104-I125 HydrophobicContact CG1-CG2 3.69Å; I106-I125 HydrophobicContact CD1-CD1 4.27Å; I106-I125 HydrophobicContact CD1-CG2 4.27Å; I125-L127 HydrophobicContact CD1-CB 4.2Å; I125-L127 HydrophobicContact CG1-CB 4.2Å; I125-L127 PolarHBondContact O-N 2.92Å; I125-W137 HydrophobicContact CD1-CH2 4.3Å; I125-W137 HydrophobicContact CD1-CZ3 4.25Å; I125-A166 HydrophobicContact CD1-CB 3.98Å; I125-A166 HydrophobicContact CG1-CB 3.88Å; I125-A166 WeakPolarHBondContact CG1-O 3.28Å; I125-A166 PolarHBondContact N-O 2.96Å; I125-I168 HydrophobicContact CG2-CD1 3.88Å; I125-I168 HydrophobicContact CG2-CG1 3.69Å; I125-W175 HydrophobicContact CD1-CD2 4.14Å; I125-W175 HydrophobicContact CD1-CG 4.18Å; I125-I187 HydrophobicContact CG2-CD1 4.46Å
126G98.6Very high93.3Very high0 Ų053.4 Ų53.40%029%0.293CS..EExtended strand (participates in β ladder)trans-76.134.3-174.100000114.5L103 V104 W137 V138L103-G126 VanDerWaalsContact CB-CA 3.45Å; V104-G126 WeakPolarHBondContact O-CA 3.39Å; V104-G126 PolarHBondContact O-N 3.2Å; G126-W137 CarbonylContact O-C 3.59Å; G126-W137 WeakPolarHBondContact O-CA 3.33Å; G126-V138 WeakPolarHBondContact O-CG1 3.3Å; G126-V138 PolarHBondContact O-N 2.93Å
127L98.6Very high93.4Very high0 Ų049.1 Ų49.10%028%0.277CS..EExtended strand (participates in β ladder)trans-120.5126.8-175-171.275000110.9I125 W135 W137 L143 W151 A166 W175I125-L127 HydrophobicContact CD1-CB 4.2Å; I125-L127 HydrophobicContact CG1-CB 4.2Å; I125-L127 PolarHBondContact O-N 2.92Å; L127-W135 HydrophobicContact CD1-CB 4.18Å; L127-W135 HydrophobicContact CD2-CD2 4.47Å; L127-W135 HydrophobicContact CD2-CE3 3.97Å; L127-W135 HydrophobicContact CG-CB 4.41Å; L127-W135 HydrophobicContact CG-CE3 3.75Å; L127-W135 HydrophobicContact CG-CZ3 4.45Å; L127-W137 HydrophobicContact CB-CD2 4.34Å; L127-W137 HydrophobicContact CB-CE3 3.72Å; L127-W137 HydrophobicContact CB-CH2 4.14Å; L127-W137 HydrophobicContact CB-CZ3 3.62Å; L127-W137 HydrophobicContact CD1-CD2 3.52Å; L127-W137 HydrophobicContact CD1-CE3 3.81Å; L127-W137 HydrophobicContact CD1-CG 3.95Å; L127-W137 HydrophobicContact CD1-CH2 4.23Å; L127-W137 HydrophobicContact CD1-CZ2 3.99Å; L127-W137 HydrophobicContact CD1-CZ3 4.17Å; L127-W137 HydrophobicContact CD2-CH2 4.31Å; L127-W137 HydrophobicContact CD2-CZ2 4.48Å; L127-W137 HydrophobicContact CG-CD2 4.49Å; L127-W137 HydrophobicContact CG-CE3 4.33Å; L127-W137 HydrophobicContact CG-CH2 4.44Å; L127-W137 HydrophobicContact CG-CZ3 4.33Å; L127-L143 HydrophobicContact CD1-CB 4.23Å; L127-L143 HydrophobicContact CD1-CD1 4.47Å; L127-L143 HydrophobicContact CD2-CD1 4.49Å; L127-L143 HydrophobicContact CD2-CD2 4.28Å; L127-W151 HydrophobicContact CD2-CH2 3.96Å; L127-W151 HydrophobicContact CD2-CZ2 3.65Å; L127-A166 HydrophobicContact CB-CB 3.85Å; L127-A166 HydrophobicContact CD2-CB 3.93Å; L127-A166 HydrophobicContact CG-CB 4.23Å; L127-A166 PolarHBondContact O-N 3.17Å; L127-W175 HydrophobicContact CD2-CE3 4.26Å; L127-W175 HydrophobicContact CD2-CZ3 4.2Å
128T97.8Very high93.5Very high30 Ų3046.3 Ų46.318%0.18425%0.251CS..EExtended strand (participates in β ladder)trans-135.9156.8179.753.50000111.8W89 W135 K136 A164W89-T128 HydrophobicContact CD2-CG2 3.83Å; W89-T128 VanDerWaalsContact CE2-CG2 3.42Å; W89-T128 HydrophobicContact CE3-CG2 4.04Å; W89-T128 HydrophobicContact CH2-CG2 3.51Å; W89-T128 HydrophobicContact CZ2-CG2 3.29Å; W89-T128 HydrophobicContact CZ3-CG2 3.9Å; T128-W135 CarbonylContact O-C 3.59Å; T128-W135 WeakPolarHBondContact O-CA 3.15Å; T128-K136 PolarHBondContact N-O 2.81Å; T128-K136 PolarHBondContact O-N 3.02Å; T128-A164 CarbonylContact C-O 3.51Å; T128-A164 VanDerWaalsContact CA-O 3.27Å; T128-A164 WeakPolarHBondContact CA-O 3.38Å
129E93.8Very high93.5Very high35 Ų3549.9 Ų49.916%0.16427%0.271CS..EExtended strand (participates in β ladder)trans-91.6118.3173.3-169.3173.8-119.400110.3T131 G133 W135 A164E129-T131 WeakPolarHBondContact CG-O 3.36Å; E129-G133 WeakPolarHBondContact OE1-CA 3.39Å; E129-G133 PolarHBondContact OE1-N 3.12Å; E129-W135 HydrophobicContact CB-CD2 4.1Å; E129-W135 HydrophobicContact CB-CE3 4.16Å; E129-W135 HydrophobicContact CB-CH2 4.27Å; E129-W135 HydrophobicContact CB-CZ2 4.15Å; E129-W135 HydrophobicContact CB-CZ3 4.27Å; E129-W135 PolarHBondContact OE1-NE1 3.35Å; E129-A164 HydrophobicContact CB-CB 4.18Å; E129-A164 PolarHBondContact N-O 2.91Å
130E80.6Confident93.6Very high124 Ų12451.2 Ų51.258%0.57929%0.286SS*.EExtended strand (participates in β ladder)trans-81.8-38.3176-77.7-16715700111.6S134 K136E130-S134 PolarHBondContact N-O 3.49Å; E130-K136 VanDerWaalsContact CD-NZ 3.25Å; E130-K136 HydrophobicContact CG-CB 4.4Å; E130-K136 HydrophobicContact CG-CD 4.07Å; E130-K136 WeakPolarHBondContact OE1-CD 3.16Å; E130-K136 IonicContact OE1-NZ 2.9Å; E130-K136 PolarHBondContact OE1-NZ 3.21Å; E130-K136 WeakPolarHBondContact OE2-CD 3.44Å; E130-K136 IonicContact OE2-NZ 3.94Å; E130-K136 PolarHBondContact OE2-NZ 2.87Å
131T78.6Confident93.7Very high92 Ų9245.4 Ų45.456%0.56427%0.266SS*.EExtended strand (participates in β ladder)trans-143.3151.8173.958.10000107.8E129 G133 S134E129-T131 WeakPolarHBondContact CG-O 3.36Å; T131-G133 PolarHBondContact O-N 3.02Å; T131-G133 VanDerWaalsContact O-N 3.15Å; T131-S134 WeakPolarHBondContact O-CA 3.43Å; T131-S134 WeakPolarHBondContact O-CB 3.35Å; T131-S134 PolarHBondContact O-N 2.94Å; T131-S134 VanDerWaalsContact OG1-CB 3.24Å; T131-S134 WeakPolarHBondContact OG1-CB 2.97Å
132E78.9Confident93.8Very high169 Ų16946.4 Ų46.479%0.7927%0.274SS*.THydrogen-bonded Turntrans-46.1120.2-178.3-168.3174.5-170.100112.4
133G78.4Confident93.8Very high60 Ų6046.5 Ų46.562%0.61927%0.273SS*.THydrogen-bonded Turntrans83.8-6.7-176.100000116.3E129 T131E129-G133 WeakPolarHBondContact OE1-CA 3.39Å; E129-G133 PolarHBondContact OE1-N 3.12Å; T131-G133 PolarHBondContact O-N 3.02Å; T131-G133 VanDerWaalsContact O-N 3.15Å
134S91Very high93.7Very high54 Ų5448.2 Ų48.238%0.37829%0.285SS..EExtended strand (participates in β ladder)trans-109.893.1-176.2-172.50000112E130 T131E130-S134 PolarHBondContact N-O 3.49Å; T131-S134 WeakPolarHBondContact O-CA 3.43Å; T131-S134 WeakPolarHBondContact O-CB 3.35Å; T131-S134 PolarHBondContact O-N 2.94Å; T131-S134 VanDerWaalsContact OG1-CB 3.24Å; T131-S134 WeakPolarHBondContact OG1-CB 2.97Å
135W96.8Very high93.5Very high16 Ų1652.9 Ų52.96%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-89.5138.4179.1-69.382.9000112.3L127 T128 E129 L143 W151 P156 A166 D177L127-W135 HydrophobicContact CD1-CB 4.18Å; L127-W135 HydrophobicContact CD2-CD2 4.47Å; L127-W135 HydrophobicContact CD2-CE3 3.97Å; L127-W135 HydrophobicContact CG-CB 4.41Å; L127-W135 HydrophobicContact CG-CE3 3.75Å; L127-W135 HydrophobicContact CG-CZ3 4.45Å; T128-W135 CarbonylContact O-C 3.59Å; T128-W135 WeakPolarHBondContact O-CA 3.15Å; E129-W135 HydrophobicContact CB-CD2 4.1Å; E129-W135 HydrophobicContact CB-CE3 4.16Å; E129-W135 HydrophobicContact CB-CH2 4.27Å; E129-W135 HydrophobicContact CB-CZ2 4.15Å; E129-W135 HydrophobicContact CB-CZ3 4.27Å; E129-W135 PolarHBondContact OE1-NE1 3.35Å; W135-L143 HydrophobicContact CB-CB 3.83Å; W135-L143 HydrophobicContact CB-CD2 3.94Å; W135-L143 HydrophobicContact CG-CD2 4.39Å; W135-L143 PolarHBondContact O-N 3.19Å; W135-W151 HydrophobicContact CD2-CH2 4.07Å; W135-W151 AromaticContact CD2-CZ2 3.89Å; W135-W151 HydrophobicContact CD2-CZ2 3.89Å; W135-W151 AromaticContact CE2-CH2 3.96Å; W135-W151 AromaticContact CE2-CZ2 3.94Å; W135-W151 HydrophobicContact CE3-CH2 4.08Å; W135-W151 HydrophobicContact CE3-CZ2 4.23Å; W135-W151 HydrophobicContact CG-CZ2 4.29Å; W135-W151 AromaticContact CH2-CH2 3.8Å; W135-W151 HydrophobicContact CH2-CH2 3.8Å; W135-W151 AromaticContact CZ2-CH2 3.84Å; W135-W151 HydrophobicContact CZ2-CH2 3.84Å; W135-W151 HydrophobicContact CZ2-CZ2 4.28Å; W135-W151 AromaticContact CZ3-CH2 3.93Å; W135-W151 HydrophobicContact CZ3-CH2 3.93Å; W135-P156 HydrophobicContact CZ2-CB 3.72Å; W135-P156 HydrophobicContact CZ2-CG 4.14Å; W135-A166 HydrophobicContact CH2-CB 4.44Å; W135-A166 HydrophobicContact CZ3-CB 3.86Å; W135-D177 HydrophobicContact CH2-CB 3.47Å; W135-D177 VanDerWaalsContact CH2-CB 3.47Å; W135-D177 HydrophobicContact CZ2-CB 3.7Å
136K97.6Very high93.5Very high59 Ų5958.9 Ų58.926%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-141.2141.1-176.1-167.8-178.4-177.1175.30111.3T128 E130 G140 T141T128-K136 PolarHBondContact N-O 2.81Å; T128-K136 PolarHBondContact O-N 3.02Å; E130-K136 VanDerWaalsContact CD-NZ 3.25Å; E130-K136 HydrophobicContact CG-CB 4.4Å; E130-K136 HydrophobicContact CG-CD 4.07Å; E130-K136 WeakPolarHBondContact OE1-CD 3.16Å; E130-K136 IonicContact OE1-NZ 2.9Å; E130-K136 PolarHBondContact OE1-NZ 3.21Å; E130-K136 WeakPolarHBondContact OE2-CD 3.44Å; E130-K136 IonicContact OE2-NZ 3.94Å; E130-K136 PolarHBondContact OE2-NZ 2.87Å; K136-G140 WeakPolarHBondContact CE-O 2.99Å; K136-T141 WeakPolarHBondContact CA-O 3.49Å; K136-T141 WeakPolarHBondContact CG-O 3.47Å
137W98.6Very high93.4Very high10 Ų1059.3 Ų59.34%0.03835%0.348CS..EExtended strand (participates in β ladder)trans-78.4159.5176.5-65.5110.6000111.6V105 I106 I125 G126 L127 D139 G140 T141 L143 L147 W175V105-W137 HydrophobicContact CB-CD2 4.48Å; V105-W137 HydrophobicContact CB-CE3 4.23Å; V105-W137 HydrophobicContact CG1-CB 4.01Å; V105-W137 HydrophobicContact CG1-CD2 3.82Å; V105-W137 HydrophobicContact CG1-CE3 4.05Å; V105-W137 HydrophobicContact CG1-CG 3.8Å; V105-W137 HydrophobicContact CG2-CB 4.07Å; V105-W137 HydrophobicContact CG2-CE3 4.27Å; I106-W137 HydrophobicContact CB-CH2 3.77Å; I106-W137 HydrophobicContact CB-CZ2 4.33Å; I106-W137 HydrophobicContact CB-CZ3 4.39Å; I106-W137 HydrophobicContact CG1-CH2 4.14Å; I106-W137 HydrophobicContact CG1-CZ3 4.39Å; I125-W137 HydrophobicContact CD1-CH2 4.3Å; I125-W137 HydrophobicContact CD1-CZ3 4.25Å; G126-W137 CarbonylContact O-C 3.59Å; G126-W137 WeakPolarHBondContact O-CA 3.33Å; L127-W137 HydrophobicContact CB-CD2 4.34Å; L127-W137 HydrophobicContact CB-CE3 3.72Å; L127-W137 HydrophobicContact CB-CH2 4.14Å; L127-W137 HydrophobicContact CB-CZ3 3.62Å; L127-W137 HydrophobicContact CD1-CD2 3.52Å; L127-W137 HydrophobicContact CD1-CE3 3.81Å; L127-W137 HydrophobicContact CD1-CG 3.95Å; L127-W137 HydrophobicContact CD1-CH2 4.23Å; L127-W137 HydrophobicContact CD1-CZ2 3.99Å; L127-W137 HydrophobicContact CD1-CZ3 4.17Å; L127-W137 HydrophobicContact CD2-CH2 4.31Å; L127-W137 HydrophobicContact CD2-CZ2 4.48Å; L127-W137 HydrophobicContact CG-CD2 4.49Å; L127-W137 HydrophobicContact CG-CE3 4.33Å; L127-W137 HydrophobicContact CG-CH2 4.44Å; L127-W137 HydrophobicContact CG-CZ3 4.33Å; W137-D139 WeakPolarHBondContact CB-OD1 3.17Å; W137-D139 PolarHBondContact O-N 3.22Å; W137-G140 WeakPolarHBondContact O-CA 3.22Å; W137-G140 PolarHBondContact O-N 3.41Å; W137-T141 VanDerWaalsContact CD1-OG1 3.29Å; W137-T141 PolarHBondContact N-O 3.38Å; W137-L143 HydrophobicContact CZ2-CD1 3.94Å; W137-L147 HydrophobicContact CZ2-CD1 4.23Å; W137-W175 AromaticContact CH2-CH2 3.74Å; W137-W175 HydrophobicContact CH2-CH2 3.74Å; W137-W175 HydrophobicContact CH2-CZ2 4.01Å; W137-W175 HydrophobicContact CH2-CZ3 4.39Å; W137-W175 AromaticContact CZ2-CH2 3.75Å; W137-W175 HydrophobicContact CZ2-CH2 3.75Å; W137-W175 HydrophobicContact CZ2-CZ2 4.43Å; W137-W175 HydrophobicContact CZ2-CZ3 4.35Å
138V98.4Very high93.4Very high20 Ų2064.4 Ų64.412%0.12137%0.37CS..THydrogen-bonded Turntrans-63-21.1179.5-75.80000114.2W89 R93 D102 L103 V105 G126 G140W89-V138 HydrophobicContact CH2-CG1 3.62Å; W89-V138 HydrophobicContact CZ2-CG1 3.56Å; R93-V138 VanDerWaalsContact CZ-CG1 3.48Å; R93-V138 PolarHBondContact NH2-O 2.82Å; D102-V138 HydrophobicContact CB-CG2 4.16Å; L103-V138 HydrophobicContact CB-CG1 4.48Å; L103-V138 WeakPolarHBondContact O-CG2 3.32Å; V105-V138 HydrophobicContact CG2-CG2 3.59Å; G126-V138 WeakPolarHBondContact O-CG1 3.3Å; G126-V138 PolarHBondContact O-N 2.93Å; V138-G140 VanDerWaalsContact C-N 3.26Å
139D97.3Very high93.4Very high93 Ų9367.8 Ų67.850%0.49738%0.382SS..THydrogen-bonded Turntrans-80.3-7.8172.972.4-9.3000113.1V105 W137 T141V105-D139 HydrophobicContact CG2-CB 4.34Å; W137-D139 WeakPolarHBondContact CB-OD1 3.17Å; W137-D139 PolarHBondContact O-N 3.22Å; D139-T141 WeakPolarHBondContact OD1-CB 3.49Å; D139-T141 PolarHBondContact OD1-N 2.85Å; D139-T141 PolarHBondContact OD1-OG1 3.19Å; D139-T141 WeakPolarHBondContact OD2-CG2 3.28Å; D139-T141 PolarHBondContact OD2-OG1 2.77Å
140G96.7Very high93.6Very high35 Ų3566.8 Ų66.836%0.36138%0.377SS..SBendtrans94.3-2.4178.300000115.2K136 W137 V138K136-G140 WeakPolarHBondContact CE-O 2.99Å; W137-G140 WeakPolarHBondContact O-CA 3.22Å; W137-G140 PolarHBondContact O-N 3.41Å; V138-G140 VanDerWaalsContact C-N 3.26Å
141T97Very high94.4Very high61 Ų6161.9 Ų61.937%0.37435%0.354SS..PPolyproline II helixtrans-74.4141.1177.361.70000111.3K136 W137 D139K136-T141 WeakPolarHBondContact CA-O 3.49Å; K136-T141 WeakPolarHBondContact CG-O 3.47Å; W137-T141 VanDerWaalsContact CD1-OG1 3.29Å; W137-T141 PolarHBondContact N-O 3.38Å; D139-T141 WeakPolarHBondContact OD1-CB 3.49Å; D139-T141 PolarHBondContact OD1-N 2.85Å; D139-T141 PolarHBondContact OD1-OG1 3.19Å; D139-T141 WeakPolarHBondContact OD2-CG2 3.28Å; D139-T141 PolarHBondContact OD2-OG1 2.77Å
142P97Very high95.3Very high100 Ų10057.8 Ų57.865%0.64933%0.329SS*.BIsolated β-bridgetrans-73.6151175.830.7-34.2000111.1S144P142-S144 PolarHBondContact O-N 3.09Å
143L97.3Very high96.2Very high19 Ų1955.5 Ų55.510%0.09933%0.329CS..PPolyproline II helixtrans-64.5117.3173.8177.864.6000111L127 W135 W137 L147 K148 W151 W175L127-L143 HydrophobicContact CD1-CB 4.23Å; L127-L143 HydrophobicContact CD1-CD1 4.47Å; L127-L143 HydrophobicContact CD2-CD1 4.49Å; L127-L143 HydrophobicContact CD2-CD2 4.28Å; W135-L143 HydrophobicContact CB-CB 3.83Å; W135-L143 HydrophobicContact CB-CD2 3.94Å; W135-L143 HydrophobicContact CG-CD2 4.39Å; W135-L143 PolarHBondContact O-N 3.19Å; W137-L143 HydrophobicContact CZ2-CD1 3.94Å; L143-L147 HydrophobicContact CD1-CB 3.73Å; L143-L147 HydrophobicContact CD1-CD1 4.26Å; L143-K148 HydrophobicContact CD2-CG 4.03Å; L143-K148 HydrophobicContact CG-CG 4.38Å; L143-W151 HydrophobicContact CD2-CZ2 4.19Å; L143-W175 HydrophobicContact CD1-CH2 4.24Å; L143-W175 HydrophobicContact CD1-CZ3 3.82Å
144S96.4Very high96.9Very high35 Ų3555.9 Ų55.925%0.24533%0.332CS..PPolyproline II helixtrans-72.4154.1176.869.50000112.2P142 E146 L147P142-S144 PolarHBondContact O-N 3.09Å; S144-E146 VanDerWaalsContact CB-OE1 3.28Å; S144-E146 WeakPolarHBondContact CB-OE1 3.42Å; S144-E146 PolarHBondContact O-N 2.98Å; S144-E146 WeakPolarHBondContact OG-CG 3.24Å; S144-E146 PolarHBondContact OG-OE1 3.03Å; S144-L147 PolarHBondContact O-N 3.3Å; S144-L147 WeakPolarHBondContact OG-CG 3.42Å
145S96.3Very high97.2Very high99 Ų9955 Ų5569%0.69232%0.322SS*.THydrogen-bonded Turntrans-61.9-30.5179.8-61.70000113.2L147 K148S145-L147 VanDerWaalsContact C-N 3.34Å; S145-L147 PolarHBondContact O-N 2.86Å; S145-K148 PolarHBondContact O-N 2.85Å
146E97.3Very high97.1Very high126 Ų12656.6 Ų56.659%0.58934%0.335SS*.THydrogen-bonded Turntrans-69.3-31.5-178.272.8-138.5144.600112.7S144 K149S144-E146 VanDerWaalsContact CB-OE1 3.28Å; S144-E146 WeakPolarHBondContact CB-OE1 3.42Å; S144-E146 PolarHBondContact O-N 2.98Å; S144-E146 WeakPolarHBondContact OG-CG 3.24Å; S144-E146 PolarHBondContact OG-OE1 3.03Å; E146-K149 WeakPolarHBondContact O-CD 3.25Å; E146-K149 WeakPolarHBondContact O-CE 3.37Å; E146-K149 VanDerWaalsContact O-CG 3.25Å; E146-K149 WeakPolarHBondContact O-CG 3.14Å
147L97.9Very high96.9Very high8 Ų857.8 Ų57.84%0.04234%0.344CS..G310 helixtrans-81.1-16.8-178.7-63.8176.6000112.5I106 W137 L143 S144 S145 K149 F150 W175I106-L147 VanDerWaalsContact O-CD1 3.23Å; I106-L147 WeakPolarHBondContact O-CD1 3.22Å; W137-L147 HydrophobicContact CZ2-CD1 4.23Å; L143-L147 HydrophobicContact CD1-CB 3.73Å; L143-L147 HydrophobicContact CD1-CD1 4.26Å; S144-L147 PolarHBondContact O-N 3.3Å; S144-L147 WeakPolarHBondContact OG-CG 3.42Å; S145-L147 VanDerWaalsContact C-N 3.34Å; S145-L147 PolarHBondContact O-N 2.86Å; L147-K149 PolarHBondContact O-N 2.82Å; L147-F150 HydrophobicContact CB-CD2 4.34Å; L147-F150 HydrophobicContact CD2-CD2 4.13Å; L147-F150 HydrophobicContact CD2-CE2 3.59Å; L147-F150 WeakPolarHBondContact O-CB 3.21Å; L147-F150 VanDerWaalsContact O-CD2 3.26Å; L147-F150 WeakPolarHBondContact O-CD2 3.37Å; L147-F150 PolarHBondContact O-N 3.49Å; L147-W175 HydrophobicContact CB-CH2 3.99Å; L147-W175 HydrophobicContact CB-CZ3 4.37Å
148K97Very high96.5Very high108 Ų10859 Ų5947%0.4735%0.351SS..G310 helixtrans-59.2-20.6177.9-65.6-176.5179.9-1760113.6L143 S145 F150 W151L143-K148 HydrophobicContact CD2-CG 4.03Å; L143-K148 HydrophobicContact CG-CG 4.38Å; S145-K148 PolarHBondContact O-N 2.85Å; K148-F150 PolarHBondContact O-N 3.29Å; K148-F150 VanDerWaalsContact O-N 3.09Å; K148-W151 PolarHBondContact O-N 3.23Å
149K97.6Very high95.9Very high100 Ų10060.2 Ų60.244%0.43536%0.361SS..G310 helixtrans-61.1-13.4172.870.5-167168.2177.50113.9D109 E146 L147 K174D109-K149 WeakPolarHBondContact OD1-CE 3.2Å; D109-K149 IonicContact OD1-NZ 2.73Å; D109-K149 PolarHBondContact OD1-NZ 3.44Å; D109-K149 IonicContact OD2-NZ 2.64Å; D109-K149 PolarHBondContact OD2-NZ 3.33Å; E146-K149 WeakPolarHBondContact O-CD 3.25Å; E146-K149 WeakPolarHBondContact O-CE 3.37Å; E146-K149 VanDerWaalsContact O-CG 3.25Å; E146-K149 WeakPolarHBondContact O-CG 3.14Å; L147-K149 PolarHBondContact O-N 2.82Å; K149-K174 PolarHBondContact O-NZ 3.05Å
150F98.4Very high95.3Very high14 Ų1464.1 Ų64.16%0.06137%0.373CS..G310 helixtrans-87.2-13.6178.3-59-44.2000114.2D109 Q112 L147 K148 K174 W175D109-F150 HydrophobicContact CB-CZ 4.17Å; Q112-F150 HydrophobicContact CB-CD1 4.36Å; Q112-F150 HydrophobicContact CB-CD2 4.26Å; Q112-F150 HydrophobicContact CB-CE1 4.05Å; Q112-F150 HydrophobicContact CB-CE2 3.9Å; Q112-F150 HydrophobicContact CB-CG 4.48Å; Q112-F150 HydrophobicContact CB-CZ 3.82Å; Q112-F150 HydrophobicContact CG-CD1 3.62Å; Q112-F150 HydrophobicContact CG-CD2 4.12Å; Q112-F150 HydrophobicContact CG-CE1 3.71Å; Q112-F150 HydrophobicContact CG-CE2 4.17Å; Q112-F150 HydrophobicContact CG-CG 3.85Å; Q112-F150 HydrophobicContact CG-CZ 4Å; L147-F150 HydrophobicContact CB-CD2 4.34Å; L147-F150 HydrophobicContact CD2-CD2 4.13Å; L147-F150 HydrophobicContact CD2-CE2 3.59Å; L147-F150 WeakPolarHBondContact O-CB 3.21Å; L147-F150 VanDerWaalsContact O-CD2 3.26Å; L147-F150 WeakPolarHBondContact O-CD2 3.37Å; L147-F150 PolarHBondContact O-N 3.49Å; K148-F150 PolarHBondContact O-N 3.29Å; K148-F150 VanDerWaalsContact O-N 3.09Å; F150-K174 CarbonylContact O-C 3.49Å; F150-K174 WeakPolarHBondContact O-CA 3.43Å; F150-K174 VanDerWaalsContact O-CB 3.32Å; F150-K174 WeakPolarHBondContact O-CB 3.41Å; F150-K174 WeakPolarHBondContact O-CD 3.44Å; F150-W175 HydrophobicContact CB-CD2 3.56Å; F150-W175 VanDerWaalsContact CB-CE2 3.4Å; F150-W175 HydrophobicContact CB-CE3 3.9Å; F150-W175 HydrophobicContact CB-CG 4.1Å; F150-W175 HydrophobicContact CB-CH2 4Å; F150-W175 HydrophobicContact CB-CZ2 3.64Å; F150-W175 HydrophobicContact CB-CZ3 4.11Å; F150-W175 AromaticContact CD2-CH2 3.72Å; F150-W175 HydrophobicContact CD2-CH2 3.72Å; F150-W175 AromaticContact CD2-CZ2 3.53Å; F150-W175 HydrophobicContact CD2-CZ2 3.53Å; F150-W175 HydrophobicContact CD2-CZ3 4.48Å; F150-W175 HydrophobicContact CG-CH2 4.37Å; F150-W175 AromaticContact CG-CZ2 3.99Å; F150-W175 HydrophobicContact CG-CZ2 3.99Å; F150-W175 PolarHBondContact O-N 2.73Å
151W98.1Very high94.7Very high22 Ų2264.9 Ų64.98%0.08338%0.381CS..BIsolated β-bridgetrans-58.8145166.3-64.9114.1000111.6L127 W135 L143 K148 Q155 P156 A166 W175 D177L127-W151 HydrophobicContact CD2-CH2 3.96Å; L127-W151 HydrophobicContact CD2-CZ2 3.65Å; W135-W151 HydrophobicContact CD2-CH2 4.07Å; W135-W151 AromaticContact CD2-CZ2 3.89Å; W135-W151 HydrophobicContact CD2-CZ2 3.89Å; W135-W151 AromaticContact CE2-CH2 3.96Å; W135-W151 AromaticContact CE2-CZ2 3.94Å; W135-W151 HydrophobicContact CE3-CH2 4.08Å; W135-W151 HydrophobicContact CE3-CZ2 4.23Å; W135-W151 HydrophobicContact CG-CZ2 4.29Å; W135-W151 AromaticContact CH2-CH2 3.8Å; W135-W151 HydrophobicContact CH2-CH2 3.8Å; W135-W151 AromaticContact CZ2-CH2 3.84Å; W135-W151 HydrophobicContact CZ2-CH2 3.84Å; W135-W151 HydrophobicContact CZ2-CZ2 4.28Å; W135-W151 AromaticContact CZ3-CH2 3.93Å; W135-W151 HydrophobicContact CZ3-CH2 3.93Å; L143-W151 HydrophobicContact CD2-CZ2 4.19Å; K148-W151 PolarHBondContact O-N 3.23Å; W151-Q155 HydrophobicContact CB-CB 4.31Å; W151-Q155 WeakPolarHBondContact CB-O 3.28Å; W151-Q155 HydrophobicContact CE3-CB 4.15Å; W151-P156 HydrophobicContact CE3-CB 4.4Å; W151-P156 HydrophobicContact CH2-CB 4.36Å; W151-P156 HydrophobicContact CZ2-CG 4.38Å; W151-P156 HydrophobicContact CZ3-CB 4.26Å; W151-A166 HydrophobicContact CH2-CB 3.7Å; W151-A166 HydrophobicContact CZ3-CB 4.11Å; W151-W175 HydrophobicContact CD2-CB 3.93Å; W151-W175 HydrophobicContact CD2-CE3 4.05Å; W151-W175 AromaticContact CE2-CE3 3.86Å; W151-W175 HydrophobicContact CE3-CB 3.39Å; W151-W175 HydrophobicContact CG-CE3 4.4Å; W151-W175 HydrophobicContact CZ2-CE3 4.2Å; W151-W175 HydrophobicContact CZ3-CB 3.72Å; W151-D177 HydrophobicContact CZ3-CB 4.42Å
152A98Very high94.3Very high5 Ų566.3 Ų66.34%0.04139%0.386CS..PPolyproline II helixtrans-65.7154.9169.900000109.9G154 Q155 K174 W175A152-G154 PolarHBondContact O-N 2.88Å; A152-G154 VanDerWaalsContact O-N 3.14Å; A152-Q155 HydrophobicContact CB-CB 4.33Å; A152-Q155 HydrophobicContact CB-CG 3.88Å; A152-Q155 WeakPolarHBondContact O-CB 3.41Å; A152-Q155 PolarHBondContact O-N 2.9Å; A152-K174 HydrophobicContact CB-CB 3.89Å; A152-W175 WeakPolarHBondContact CB-O 3.4Å; A152-W175 PolarHBondContact N-O 3.14Å
153P96.6Very high94Very high122 Ų12262.4 Ų62.479%0.79236%0.359SS*.THydrogen-bonded Turntrans-54123.8174.4-25.334.8000111.2
154G94.8Very high93.9Very high67 Ų6762.9 Ų62.969%0.69137%0.366SS*.THydrogen-bonded Turntrans92.1-7.4-177.400000115.1A152A152-G154 PolarHBondContact O-N 2.88Å; A152-G154 VanDerWaalsContact O-N 3.14Å
155Q95.8Very high94Very high35 Ų3561.3 Ų61.316%0.16436%0.355CS..  trans-101155.1-179-59.3-55.8-1500113W151 A152 D157 N176 D177W151-Q155 HydrophobicContact CB-CB 4.31Å; W151-Q155 WeakPolarHBondContact CB-O 3.28Å; W151-Q155 HydrophobicContact CE3-CB 4.15Å; A152-Q155 HydrophobicContact CB-CB 4.33Å; A152-Q155 HydrophobicContact CB-CG 3.88Å; A152-Q155 WeakPolarHBondContact O-CB 3.41Å; A152-Q155 PolarHBondContact O-N 2.9Å; Q155-D157 PolarHBondContact NE2-OD2 3.17Å; Q155-D157 VanDerWaalsContact OE1-CG 3.22Å; Q155-N176 VanDerWaalsContact CG-OD1 3.28Å; Q155-N176 WeakPolarHBondContact CG-OD1 3.38Å; Q155-N176 PolarHBondContact NE2-OD1 3.01Å; Q155-N176 VanDerWaalsContact NE2-OD1 3.15Å; Q155-D177 PolarHBondContact OE1-OD1 2.83Å
156P95.2Very high94.1Very high51 Ų5156.6 Ų56.633%0.33132%0.322SS..  cis-72.7139.2-8.630.4-33.2000112.3W135 W151 D177W135-P156 HydrophobicContact CZ2-CB 3.72Å; W135-P156 HydrophobicContact CZ2-CG 4.14Å; W151-P156 HydrophobicContact CE3-CB 4.4Å; W151-P156 HydrophobicContact CH2-CB 4.36Å; W151-P156 HydrophobicContact CZ2-CG 4.38Å; W151-P156 HydrophobicContact CZ3-CB 4.26Å; P156-D177 WeakPolarHBondContact CA-OD1 3.09Å; P156-D177 HydrophobicContact CB-CB 3.98Å; P156-D177 VanDerWaalsContact CB-OD1 3.29Å; P156-D177 WeakPolarHBondContact CB-OD1 3.33Å; P156-D177 WeakPolarHBondContact CB-OD2 3.27Å
157D93.6Very high94.1Very high83 Ų8350.9 Ų50.944%0.44430%0.295SS..  trans-107.8-7.4-175.577.219.9000114.1Q155 S159 D177Q155-D157 PolarHBondContact NE2-OD2 3.17Å; Q155-D157 VanDerWaalsContact OE1-CG 3.22Å; D157-S159 VanDerWaalsContact C-N 3.34Å; D157-S159 PolarHBondContact O-N 3.19Å; D157-S159 WeakPolarHBondContact OD1-CA 3.45Å; D157-S159 VanDerWaalsContact OD1-CB 3.32Å; D157-S159 WeakPolarHBondContact OD1-CB 3.21Å; D157-S159 PolarHBondContact OD1-N 2.95Å; D157-D177 PolarHBondContact N-OD1 2.84Å; D157-D177 VanDerWaalsContact N-OD1 3.15Å; D157-D177 PolarHBondContact N-OD2 3.03Å
158N91Very high94.1Very high35 Ų3550.5 Ų50.519%0.18729%0.293CS..  trans45.555.3-176.3-17010.2000111.7K160 G161 I162 E163 D177N158-K160 PolarHBondContact O-N 3.18Å; N158-K160 VanDerWaalsContact O-N 3.11Å; N158-G161 WeakPolarHBondContact O-CA 3.49Å; N158-G161 PolarHBondContact O-N 2.88Å; N158-G161 VanDerWaalsContact OD1-CA 3.26Å; N158-G161 WeakPolarHBondContact OD1-CA 3.36Å; N158-I162 PolarHBondContact OD1-N 2.88Å; N158-E163 PolarHBondContact OD1-N 3.27Å; N158-E163 PolarHBondContact OD1-O 3.25Å; N158-D177 VanDerWaalsContact CA-OD2 3.23Å; N158-D177 WeakPolarHBondContact CA-OD2 3.4Å; N158-D177 PolarHBondContact N-OD2 3.37Å
159S85.6Confident94.1Very high47 Ų4749.4 Ų49.433%0.32929%0.286SS..G310 helixtrans-55.6122.2-170.4-157.30000111.8D157 G161 I162 E163D157-S159 VanDerWaalsContact C-N 3.34Å; D157-S159 PolarHBondContact O-N 3.19Å; D157-S159 WeakPolarHBondContact OD1-CA 3.45Å; D157-S159 VanDerWaalsContact OD1-CB 3.32Å; D157-S159 WeakPolarHBondContact OD1-CB 3.21Å; D157-S159 PolarHBondContact OD1-N 2.95Å; S159-G161 PolarHBondContact O-N 2.95Å; S159-I162 WeakPolarHBondContact O-CG1 3.44Å; S159-E163 WeakPolarHBondContact CB-OE2 3.22Å; S159-E163 PolarHBondContact N-OE2 2.81Å
160K83.1Confident93.9Very high174 Ų17447.6 Ų47.676%0.75728%0.281SS*.G310 helixtrans61.516.8-176.5-51.2172.5179.5175.10114.2N158 I162N158-K160 PolarHBondContact O-N 3.18Å; N158-K160 VanDerWaalsContact O-N 3.11Å; K160-I162 HydrophobicContact CB-CD1 4.35Å; K160-I162 HydrophobicContact CB-CG1 4.17Å
161G85.6Confident93.5Very high52 Ų5253.5 Ų53.554%0.53631%0.312SS..G310 helixtrans72.124.9176.600000114.5N158 S159N158-G161 WeakPolarHBondContact O-CA 3.49Å; N158-G161 PolarHBondContact O-N 2.88Å; N158-G161 VanDerWaalsContact OD1-CA 3.26Å; N158-G161 WeakPolarHBondContact OD1-CA 3.36Å; S159-G161 PolarHBondContact O-N 2.95Å
162I87.7Confident93.3Very high90 Ų9055.4 Ų55.446%0.46232%0.324SS..  trans-135.712.3-172.156.8174.2000114N158 S159 K160 K179N158-I162 PolarHBondContact OD1-N 2.88Å; S159-I162 WeakPolarHBondContact O-CG1 3.44Å; K160-I162 HydrophobicContact CB-CD1 4.35Å; K160-I162 HydrophobicContact CB-CG1 4.17Å; I162-K179 HydrophobicContact CD1-CD 3.62Å; I162-K179 HydrophobicContact CD1-CG 4.05Å; I162-K179 HydrophobicContact CG1-CD 4.13Å; I162-K179 HydrophobicContact CG1-CG 3.99Å
163E90.3Very high93.3Very high19 Ų1958.8 Ų58.89%0.08934%0.336CS..  trans-105106.6-178.7-62.1-171.3155.700109.4N158 S159 D177 D178 K179N158-E163 PolarHBondContact OD1-N 3.27Å; N158-E163 PolarHBondContact OD1-O 3.25Å; S159-E163 WeakPolarHBondContact CB-OE2 3.22Å; S159-E163 PolarHBondContact N-OE2 2.81Å; E163-D177 HydrophobicContact CB-CB 4.14Å; E163-D178 WeakPolarHBondContact CA-O 3.32Å; E163-K179 HydrophobicContact CG-CG 3.96Å
164A95.6Very high93.3Very high29 Ų2956.4 Ų56.424%0.2431%0.313CS..  trans-131.67.6-17100000112.7T128 E129 D178T128-A164 CarbonylContact C-O 3.51Å; T128-A164 VanDerWaalsContact CA-O 3.27Å; T128-A164 WeakPolarHBondContact CA-O 3.38Å; E129-A164 HydrophobicContact CB-CB 4.18Å; E129-A164 PolarHBondContact N-O 2.91Å; A164-D178 PolarHBondContact N-O 3.15Å
165C98.1Very high93.5Very high2 Ų253.2 Ų53.21%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-128.4132.6180-72.60000109.9W89 W124 D177 D178 C180W89-C165 HydrophobicContact CB-CB 4.03Å; W89-C165 VanDerWaalsContact CB-SG 3.53Å; W89-C165 HydrophobicContact CG-CB 3.89Å; W124-C165 HydrophobicContact CE3-CB 4.2Å; W124-C165 HydrophobicContact CH2-CB 4.14Å; W124-C165 HydrophobicContact CZ3-CB 3.7Å; C165-D177 CarbonylContact O-C 3.58Å; C165-D177 WeakPolarHBondContact O-CA 3.24Å; C165-D178 PolarHBondContact N-O 2.86Å; C165-D178 PolarHBondContact O-N 2.8Å; C165-C180 HydrophobicContact CB-CB 3.94Å; C165-C180 WeakPolarHBondContact CB-SG 3.49Å; C165-C180 VanDerWaalsContact SG-CA 3.57Å; C165-C180 WeakPolarHBondContact SG-CB 3.36Å; C165-C180 CovalentContact SG-SG 2.03Å; C165-C180 PolarHBondContact SG-SG 3.49Å
166A98.2Very high93.6Very high0 Ų052.1 Ų52.10%028%0.276CS..EExtended strand (participates in β ladder)trans-91.2143.2-178.300000112I125 L127 W135 W151 N176I125-A166 HydrophobicContact CD1-CB 3.98Å; I125-A166 HydrophobicContact CG1-CB 3.88Å; I125-A166 WeakPolarHBondContact CG1-O 3.28Å; I125-A166 PolarHBondContact N-O 2.96Å; L127-A166 HydrophobicContact CB-CB 3.85Å; L127-A166 HydrophobicContact CD2-CB 3.93Å; L127-A166 HydrophobicContact CG-CB 4.23Å; L127-A166 PolarHBondContact O-N 3.17Å; W135-A166 HydrophobicContact CH2-CB 4.44Å; W135-A166 HydrophobicContact CZ3-CB 3.86Å; W151-A166 HydrophobicContact CH2-CB 3.7Å; W151-A166 HydrophobicContact CZ3-CB 4.11Å; A166-N176 WeakPolarHBondContact CA-O 3.35Å
167Q98.3Very high93.7Very high5 Ų549.8 Ų49.82%0.02326%0.26CS..EExtended strand (participates in β ladder)trans-126.2157.1171.956.5174.7-34.200110.2S122 A123 W124 W175 N176 D178 M184S122-Q167 PolarHBondContact OG-OE1 2.9Å; A123-Q167 CarbonylContact O-C 3.59Å; A123-Q167 WeakPolarHBondContact O-CA 3.33Å; A123-Q167 WeakPolarHBondContact O-CB 3.38Å; W124-Q167 HydrophobicContact CE3-CB 3.94Å; W124-Q167 HydrophobicContact CZ3-CB 4.13Å; Q167-W175 CarbonylContact O-C 3.54Å; Q167-W175 VanDerWaalsContact O-CA 3.24Å; Q167-W175 WeakPolarHBondContact O-CA 3.43Å; Q167-N176 HydrophobicContact CG-CB 4.06Å; Q167-N176 VanDerWaalsContact CG-O 3.23Å; Q167-N176 WeakPolarHBondContact CG-O 3.06Å; Q167-N176 PolarHBondContact N-O 2.83Å; Q167-N176 PolarHBondContact NE2-ND2 2.78Å; Q167-N176 VanDerWaalsContact NE2-ND2 3.17Å; Q167-N176 PolarHBondContact O-N 3.15Å; Q167-D178 VanDerWaalsContact NE2-CB 3.28Å; Q167-D178 PolarHBondContact NE2-OD2 2.87Å; Q167-M184 HydrophobicContact CB-CE 4.39Å; Q167-M184 HydrophobicContact CB-SD 3.64Å; Q167-M184 HydrophobicContact CG-SD 4.34Å; Q167-M184 VanDerWaalsContact OE1-CE 3.22Å; Q167-M184 PolarHBondContact OE1-SD 2.76Å
168I98.5Very high93.8Very high0 Ų047.3 Ų47.30%025%0.247CC..EExtended strand (participates in β ladder)trans-84.3117.6157.2-58.8175.2000107.2I106 V115 R116 I119 S122 A123 I125 I187I106-I168 HydrophobicContact CD1-CD1 4.35Å; V115-I168 HydrophobicContact CB-CD1 4.39Å; V115-I168 HydrophobicContact CG2-CD1 3.65Å; R116-I168 HydrophobicContact CB-CD1 4.4Å; R116-I168 HydrophobicContact CB-CG2 4.18Å; I119-I168 HydrophobicContact CD1-CB 3.99Å; I119-I168 HydrophobicContact CD1-CG2 3.46Å; I119-I168 VanDerWaalsContact CD1-CG2 3.46Å; I119-I168 HydrophobicContact CG1-CG2 4.33Å; S122-I168 VanDerWaalsContact CA-O 3.28Å; S122-I168 WeakPolarHBondContact CA-O 3.48Å; S122-I168 WeakPolarHBondContact CB-O 3.26Å; A123-I168 PolarHBondContact N-O 2.84Å; A123-I168 PolarHBondContact O-N 2.92Å; I125-I168 HydrophobicContact CG2-CD1 3.88Å; I125-I168 HydrophobicContact CG2-CG1 3.69Å; I168-I187 HydrophobicContact CD1-CD1 3.97Å
169W95.5Very high94.1Very high85 Ų8548.9 Ų48.932%0.32225%0.252SS..  trans-76.7131.2179.8-157-2.8000110.6L171 R173 K174 N176W169-L171 VanDerWaalsContact C-N 3.28Å; W169-L171 HydrophobicContact CD2-CB 4.46Å; W169-L171 HydrophobicContact CG-CB 4.42Å; W169-L171 PolarHBondContact O-N 3.22Å; W169-R173 VanDerWaalsContact O-CA 3.22Å; W169-R173 WeakPolarHBondContact O-CA 3.4Å; W169-R173 PolarHBondContact O-N 2.03Å; W169-K174 PolarHBondContact N-O 2.82Å; W169-N176 HydrophobicContact CB-CB 4.11Å; W169-N176 HydrophobicContact CD2-CB 4.17Å; W169-N176 HydrophobicContact CE3-CB 3.82Å; W169-N176 HydrophobicContact CG-CB 4.35Å
170D93.6Very high94.6Very high63 Ų6348.6 Ų48.634%0.33725%0.25SC..THydrogen-bonded Turntrans-61.6-32.317963-16.5000114.5S122 N172 R173S122-D170 PolarHBondContact OG-N 3.32Å; S122-D170 PolarHBondContact OG-OD1 2.91Å; D170-N172 PolarHBondContact O-N 2.87Å; D170-R173 PolarHBondContact O-NE 2.84Å
171L90.9Very high95.3Very high137 Ų13744.5 Ų44.572%0.71724%0.243SC*.THydrogen-bonded Turntrans-59.8-49.1-174.8-17763.5000113.3W169W169-L171 VanDerWaalsContact C-N 3.28Å; W169-L171 HydrophobicContact CD2-CB 4.46Å; W169-L171 HydrophobicContact CG-CB 4.42Å; W169-L171 PolarHBondContact O-N 3.22Å
172N93.9Very high95.9Very high62 Ų6243.3 Ų43.333%0.33223%0.228SC..THydrogen-bonded Turntrans-128.12.7-173.663.413000113.5D170 K174D170-N172 PolarHBondContact O-N 2.87Å; N172-K174 PolarHBondContact O-N 3.01Å; N172-K174 VanDerWaalsContact OD1-CB 3.3Å; N172-K174 WeakPolarHBondContact OD1-CB 3.23Å; N172-K174 PolarHBondContact OD1-N 2.87Å
173R96.6Very high96.4Very high76 Ų7645.1 Ų45.129%0.28724%0.238SC..SBendtrans59.924.1180-49.8-59.3-178.5-168.8-4.5113.4Q112 R116 I119 W169 D170Q112-R173 PolarHBondContact NE2-O 2.85Å; R116-R173 HydrophobicContact CB-CB 4.09Å; R116-R173 HydrophobicContact CG-CB 4.21Å; I119-R173 VanDerWaalsContact CG1-NH1 3.33Å; I119-R173 PolarHBondContact O-NH1 3Å; W169-R173 VanDerWaalsContact O-CA 3.22Å; W169-R173 WeakPolarHBondContact O-CA 3.4Å; W169-R173 PolarHBondContact O-N 2.03Å; D170-R173 PolarHBondContact O-NE 2.84Å
174K98.3Very high96.7Very high73 Ų7345 Ų4532%0.31724%0.238SC..SBendtrans-105.5169.1173.5-68.1-77.5-173.6171.90109.9K149 F150 A152 W169 N172K149-K174 PolarHBondContact O-NZ 3.05Å; F150-K174 CarbonylContact O-C 3.49Å; F150-K174 WeakPolarHBondContact O-CA 3.43Å; F150-K174 VanDerWaalsContact O-CB 3.32Å; F150-K174 WeakPolarHBondContact O-CB 3.41Å; F150-K174 WeakPolarHBondContact O-CD 3.44Å; A152-K174 HydrophobicContact CB-CB 3.89Å; W169-K174 PolarHBondContact N-O 2.82Å; N172-K174 PolarHBondContact O-N 3.01Å; N172-K174 VanDerWaalsContact OD1-CB 3.3Å; N172-K174 WeakPolarHBondContact OD1-CB 3.23Å; N172-K174 PolarHBondContact OD1-N 2.87Å
175W98.4Very high96.8Very high0 Ų044.2 Ų44.20%023%0.23CC..EExtended strand (participates in β ladder)trans-78.1145.4179-52.9-16.1000111.2I106 I125 L127 W137 L143 L147 F150 W151 A152 Q167I106-W175 HydrophobicContact CB-CZ2 4.05Å; I106-W175 HydrophobicContact CD1-CZ2 3.83Å; I106-W175 HydrophobicContact CG1-CZ2 4.49Å; I106-W175 HydrophobicContact CG2-CZ2 4.11Å; I125-W175 HydrophobicContact CD1-CD2 4.14Å; I125-W175 HydrophobicContact CD1-CG 4.18Å; L127-W175 HydrophobicContact CD2-CE3 4.26Å; L127-W175 HydrophobicContact CD2-CZ3 4.2Å; W137-W175 AromaticContact CH2-CH2 3.74Å; W137-W175 HydrophobicContact CH2-CH2 3.74Å; W137-W175 HydrophobicContact CH2-CZ2 4.01Å; W137-W175 HydrophobicContact CH2-CZ3 4.39Å; W137-W175 AromaticContact CZ2-CH2 3.75Å; W137-W175 HydrophobicContact CZ2-CH2 3.75Å; W137-W175 HydrophobicContact CZ2-CZ2 4.43Å; W137-W175 HydrophobicContact CZ2-CZ3 4.35Å; L143-W175 HydrophobicContact CD1-CH2 4.24Å; L143-W175 HydrophobicContact CD1-CZ3 3.82Å; L147-W175 HydrophobicContact CB-CH2 3.99Å; L147-W175 HydrophobicContact CB-CZ3 4.37Å; F150-W175 HydrophobicContact CB-CD2 3.56Å; F150-W175 VanDerWaalsContact CB-CE2 3.4Å; F150-W175 HydrophobicContact CB-CE3 3.9Å; F150-W175 HydrophobicContact CB-CG 4.1Å; F150-W175 HydrophobicContact CB-CH2 4Å; F150-W175 HydrophobicContact CB-CZ2 3.64Å; F150-W175 HydrophobicContact CB-CZ3 4.11Å; F150-W175 AromaticContact CD2-CH2 3.72Å; F150-W175 HydrophobicContact CD2-CH2 3.72Å; F150-W175 AromaticContact CD2-CZ2 3.53Å; F150-W175 HydrophobicContact CD2-CZ2 3.53Å; F150-W175 HydrophobicContact CD2-CZ3 4.48Å; F150-W175 HydrophobicContact CG-CH2 4.37Å; F150-W175 AromaticContact CG-CZ2 3.99Å; F150-W175 HydrophobicContact CG-CZ2 3.99Å; F150-W175 PolarHBondContact O-N 2.73Å; W151-W175 HydrophobicContact CD2-CB 3.93Å; W151-W175 HydrophobicContact CD2-CE3 4.05Å; W151-W175 AromaticContact CE2-CE3 3.86Å; W151-W175 HydrophobicContact CE3-CB 3.39Å; W151-W175 HydrophobicContact CG-CE3 4.4Å; W151-W175 HydrophobicContact CZ2-CE3 4.2Å; W151-W175 HydrophobicContact CZ3-CB 3.72Å; A152-W175 WeakPolarHBondContact CB-O 3.4Å; A152-W175 PolarHBondContact N-O 3.14Å; Q167-W175 CarbonylContact O-C 3.54Å; Q167-W175 VanDerWaalsContact O-CA 3.24Å; Q167-W175 WeakPolarHBondContact O-CA 3.43Å
176N97.6Very high96.8Very high12 Ų1244.1 Ų44.16%0.06423%0.229CC..EExtended strand (participates in β ladder)trans-139.4138.2173.8-176.362.3000107.4Q155 A166 Q167 W169Q155-N176 VanDerWaalsContact CG-OD1 3.28Å; Q155-N176 WeakPolarHBondContact CG-OD1 3.38Å; Q155-N176 PolarHBondContact NE2-OD1 3.01Å; Q155-N176 VanDerWaalsContact NE2-OD1 3.15Å; A166-N176 WeakPolarHBondContact CA-O 3.35Å; Q167-N176 HydrophobicContact CG-CB 4.06Å; Q167-N176 VanDerWaalsContact CG-O 3.23Å; Q167-N176 WeakPolarHBondContact CG-O 3.06Å; Q167-N176 PolarHBondContact N-O 2.83Å; Q167-N176 PolarHBondContact NE2-ND2 2.78Å; Q167-N176 VanDerWaalsContact NE2-ND2 3.17Å; Q167-N176 PolarHBondContact O-N 3.15Å; W169-N176 HydrophobicContact CB-CB 4.11Å; W169-N176 HydrophobicContact CD2-CB 4.17Å; W169-N176 HydrophobicContact CE3-CB 3.82Å; W169-N176 HydrophobicContact CG-CB 4.35Å
177D96.8Very high96.9Very high1 Ų144.1 Ų44.11%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-79.4146.3165.555.7-42.3000109.6W135 W151 Q155 P156 D157 N158 E163 C165W135-D177 HydrophobicContact CH2-CB 3.47Å; W135-D177 VanDerWaalsContact CH2-CB 3.47Å; W135-D177 HydrophobicContact CZ2-CB 3.7Å; W151-D177 HydrophobicContact CZ3-CB 4.42Å; Q155-D177 PolarHBondContact OE1-OD1 2.83Å; P156-D177 WeakPolarHBondContact CA-OD1 3.09Å; P156-D177 HydrophobicContact CB-CB 3.98Å; P156-D177 VanDerWaalsContact CB-OD1 3.29Å; P156-D177 WeakPolarHBondContact CB-OD1 3.33Å; P156-D177 WeakPolarHBondContact CB-OD2 3.27Å; D157-D177 PolarHBondContact N-OD1 2.84Å; D157-D177 VanDerWaalsContact N-OD1 3.15Å; D157-D177 PolarHBondContact N-OD2 3.03Å; N158-D177 VanDerWaalsContact CA-OD2 3.23Å; N158-D177 WeakPolarHBondContact CA-OD2 3.4Å; N158-D177 PolarHBondContact N-OD2 3.37Å; E163-D177 HydrophobicContact CB-CB 4.14Å; C165-D177 CarbonylContact O-C 3.58Å; C165-D177 WeakPolarHBondContact O-CA 3.24Å
178D96.3Very high96.9Very high32 Ų3243.9 Ų43.917%0.17123%0.228CC..EExtended strand (participates in β ladder)trans-149.5169.1178.1-157.1-25.3000108.9W124 E163 A164 C165 Q167 C180W124-D178 HydrophobicContact CH2-CB 3.99Å; W124-D178 HydrophobicContact CZ3-CB 4.14Å; E163-D178 WeakPolarHBondContact CA-O 3.32Å; A164-D178 PolarHBondContact N-O 3.15Å; C165-D178 PolarHBondContact N-O 2.86Å; C165-D178 PolarHBondContact O-N 2.8Å; Q167-D178 VanDerWaalsContact NE2-CB 3.28Å; Q167-D178 PolarHBondContact NE2-OD2 2.87Å; D178-C180 PolarHBondContact O-N 3.24Å
179K96.8Very high96.9Very high67 Ų6745.2 Ų45.229%0.29123%0.234SC..  trans-63.2123.7175.9-58176.6-166.5-173.30107.7W124 I162 E163 S181 A182W124-K179 WeakPolarHBondContact CH2-O 3.41Å; I162-K179 HydrophobicContact CD1-CD 3.62Å; I162-K179 HydrophobicContact CD1-CG 4.05Å; I162-K179 HydrophobicContact CG1-CD 4.13Å; I162-K179 HydrophobicContact CG1-CG 3.99Å; E163-K179 HydrophobicContact CG-CG 3.96Å; K179-S181 PolarHBondContact O-N 3.24Å; K179-A182 VanDerWaalsContact O-CB 3.24Å; K179-A182 WeakPolarHBondContact O-CB 3.04Å; K179-A182 PolarHBondContact O-N 2.7Å
180C97.4Very high96.8Very high42 Ų4245.9 Ų45.928%0.28424%0.239SC..THydrogen-bonded Turntrans-55.5-19.1178.8-60.80000114.1A88 W89 C165 D178A88-C180 CarbonylContact C-O 3.58Å; A88-C180 WeakPolarHBondContact CA-O 2.99Å; A88-C180 VanDerWaalsContact CB-O 3.32Å; A88-C180 WeakPolarHBondContact CB-O 3.28Å; W89-C180 HydrophobicContact CB-CB 4.3Å; W89-C180 PolarHBondContact N-O 3.4Å; C165-C180 HydrophobicContact CB-CB 3.94Å; C165-C180 WeakPolarHBondContact CB-SG 3.49Å; C165-C180 VanDerWaalsContact SG-CA 3.57Å; C165-C180 WeakPolarHBondContact SG-CB 3.36Å; C165-C180 CovalentContact SG-SG 2.03Å; C165-C180 PolarHBondContact SG-SG 3.49Å; D178-C180 PolarHBondContact O-N 3.24Å
181S97.6Very high97Very high88 Ų8845 Ų4562%0.61523%0.234SC*.THydrogen-bonded Turntrans-84.9-7.8175.758.40000114.9K179K179-S181 PolarHBondContact O-N 3.24Å
182A97.6Very high97.3Very high26 Ų2640.2 Ų40.222%0.21521%0.209CC..SBendtrans-59.8147.3174.100000110.7G87 A88 W124 K179 M184G87-A182 CarbonylContact C-O 3.57Å; G87-A182 VanDerWaalsContact O-O 3.11Å; A88-A182 WeakPolarHBondContact CA-O 3.23Å; W124-A182 HydrophobicContact CH2-CB 4.11Å; W124-A182 HydrophobicContact CZ2-CB 3.91Å; W124-A182 WeakPolarHBondContact CZ2-O 3.48Å; K179-A182 VanDerWaalsContact O-CB 3.24Å; K179-A182 WeakPolarHBondContact O-CB 3.04Å; K179-A182 PolarHBondContact O-N 2.7Å; A182-M184 HydrophobicContact CB-CE 3.94Å
183L98Very high97.5Very high129 Ų12938.9 Ų38.968%0.67520%0.202SC*.  trans-102.1109.8-175.1-55.7-177.2000109.7
184M97Very high97.6Very high17 Ų1736.8 Ų36.88%0.08420%0.197CC..BIsolated β-bridgetrans-150.6170.7176.663.5-175.777.900111T86 G87 W124 Q167 A182T86-M184 CarbonylContact C-O 3.37Å; T86-M184 VanDerWaalsContact CA-O 3.28Å; T86-M184 WeakPolarHBondContact CA-O 3.4Å; G87-M184 PolarHBondContact N-O 3.24Å; G87-M184 PolarHBondContact O-N 3.15Å; W124-M184 VanDerWaalsContact CD1-CG 3.43Å; W124-M184 HydrophobicContact CD2-CE 4.22Å; W124-M184 HydrophobicContact CD2-CG 3.66Å; W124-M184 HydrophobicContact CD2-SD 3.49Å; W124-M184 VanDerWaalsContact CE2-SD 3.59Å; W124-M184 HydrophobicContact CE3-CE 4.21Å; W124-M184 HydrophobicContact CE3-CG 4.45Å; W124-M184 HydrophobicContact CE3-SD 3.68Å; W124-M184 HydrophobicContact CG-CG 3.75Å; W124-M184 HydrophobicContact CG-SD 4.01Å; W124-M184 HydrophobicContact CH2-CE 3.48Å; W124-M184 VanDerWaalsContact CH2-CE 3.48Å; W124-M184 HydrophobicContact CH2-SD 4.06Å; W124-M184 HydrophobicContact CZ2-CE 3.49Å; W124-M184 VanDerWaalsContact CZ2-CE 3.49Å; W124-M184 HydrophobicContact CZ2-CG 3.96Å; W124-M184 HydrophobicContact CZ2-SD 3.91Å; W124-M184 HydrophobicContact CZ3-CE 3.85Å; W124-M184 HydrophobicContact CZ3-SD 3.95Å; Q167-M184 HydrophobicContact CB-CE 4.39Å; Q167-M184 HydrophobicContact CB-SD 3.64Å; Q167-M184 HydrophobicContact CG-SD 4.34Å; Q167-M184 VanDerWaalsContact OE1-CE 3.22Å; Q167-M184 PolarHBondContact OE1-SD 2.76Å; A182-M184 HydrophobicContact CB-CE 3.94Å
185T97.9Very high97.5Very high12 Ų1234.5 Ų34.57%0.07419%0.19CC..EExtended strand (participates in β ladder)trans-67.4170174.151.20000111.2I83 T86 S122 A123 W124I83-T185 VanDerWaalsContact O-CB 3.26Å; I83-T185 WeakPolarHBondContact O-CB 3.29Å; I83-T185 WeakPolarHBondContact O-CG2 3.06Å; T86-T185 HydrophobicContact CG2-CG2 4.2Å; S122-T185 PolarHBondContact O-OG1 3.11Å; S122-T185 VanDerWaalsContact O-OG1 3.08Å; A123-T185 CarbonylContact C-O 3.55Å; A123-T185 WeakPolarHBondContact CA-O 3.23Å; A123-T185 WeakPolarHBondContact CB-OG1 3.43Å; W124-T185 PolarHBondContact N-O 2.86Å
186G98.4Very high97.5Very high0 Ų036.8 Ų36.80%020%0.202CC..EExtended strand (participates in β ladder)trans-132157173.600000111.7I83I83-G186 VanDerWaalsContact CG1-N 3.27Å; I83-G186 WeakPolarHBondContact CG1-O 3.49Å; I83-G186 PolarHBondContact N-O 3.12Å
187I98.8Very high97.4Very high0 Ų038.6 Ų38.60%021%0.212CC..EExtended strand (participates in β ladder)trans-106.7117.9173.5-51173.9000107.6L82 L103 V104 V115 L118 I119 A123 W124 I125 I168L82-I187 HydrophobicContact CD1-CG1 3.97Å; L103-I187 CarbonylContact C-O 3.58Å; L103-I187 WeakPolarHBondContact CA-O 3.12Å; V104-I187 HydrophobicContact CB-CB 4.31Å; V104-I187 HydrophobicContact CB-CG2 4.08Å; V104-I187 HydrophobicContact CG1-CB 3.76Å; V104-I187 HydrophobicContact CG1-CG2 3.94Å; V104-I187 PolarHBondContact N-O 2.92Å; V115-I187 HydrophobicContact CB-CD1 4.23Å; L118-I187 HydrophobicContact CD1-CG2 4.17Å; I119-I187 HydrophobicContact CG2-CD1 3.59Å; I119-I187 HydrophobicContact CG2-CG1 4.11Å; A123-I187 HydrophobicContact CB-CD1 4.32Å; A123-I187 HydrophobicContact CB-CG1 3.93Å; W124-I187 PolarHBondContact O-N 3.2Å; W124-I187 VanDerWaalsContact O-N 3.1Å; I125-I187 HydrophobicContact CG2-CD1 4.46Å; I168-I187 HydrophobicContact CD1-CD1 3.97Å
188C98.7Very high97.5Very high0 Ų041.5 Ų41.50%023%0.228CC..EExtended strand (participates in β ladder)trans-91.6151.4174.4-52.10000111.2W72 Y80 L81 I83 C96 D102W72-C188 HydrophobicContact CH2-CB 3.58Å; W72-C188 HydrophobicContact CZ3-CB 3.89Å; Y80-C188 CarbonylContact C-O 3.53Å; Y80-C188 WeakPolarHBondContact CA-O 3.48Å; L81-C188 HydrophobicContact CB-CB 4.33Å; L81-C188 PolarHBondContact N-O 2.98Å; L81-C188 PolarHBondContact O-N 3.1Å; I83-C188 WeakPolarHBondContact CG2-SG 3.37Å; C96-C188 WeakPolarHBondContact CA-SG 3.44Å; C96-C188 HydrophobicContact CB-CB 3.65Å; C96-C188 WeakPolarHBondContact CB-SG 3.32Å; C96-C188 WeakPolarHBondContact SG-CA 3.41Å; C96-C188 WeakPolarHBondContact SG-CB 3.24Å; C96-C188 CovalentContact SG-SG 2.04Å; C96-C188 PolarHBondContact SG-SG 3.41Å; D102-C188 CarbonylContact O-C 3.29Å; D102-C188 VanDerWaalsContact O-CA 3.22Å; D102-C188 WeakPolarHBondContact O-CA 3.35Å
189E98.6Very high97.6Very high28 Ų2842.3 Ų42.313%0.13123%0.233CC..EExtended strand (participates in β ladder)trans-135.1145.9173.6-173.1-172.3176.900110.2S78 C79 Y80 G101 D102 V104 V105S78-E189 WeakPolarHBondContact CB-OE1 3.21Å; S78-E189 PolarHBondContact OG-OE1 2.99Å; C79-E189 CarbonylContact O-C 3.22Å; C79-E189 VanDerWaalsContact O-CA 3.31Å; C79-E189 WeakPolarHBondContact O-CA 3.31Å; Y80-E189 HydrophobicContact CD1-CB 4.15Å; Y80-E189 HydrophobicContact CD1-CG 4.08Å; Y80-E189 HydrophobicContact CE1-CB 4.16Å; Y80-E189 HydrophobicContact CE1-CG 3.69Å; G101-E189 CarbonylContact C-O 3.56Å; G101-E189 WeakPolarHBondContact CA-O 3.39Å; D102-E189 PolarHBondContact N-O 2.93Å; D102-E189 PolarHBondContact O-N 2.8Å; V104-E189 HydrophobicContact CB-CB 4.12Å; V104-E189 HydrophobicContact CG2-CB 4.11Å; V104-E189 WeakPolarHBondContact CG2-OE2 3.4Å; V105-E189 PolarHBondContact N-OE2 3.07Å
190K94.4Very high97.7Very high98 Ų9840 Ų4043%0.42623%0.228SC..  trans-156.70168.470.9179.5-179.2-179.60113.6W72 C79 R99 E100W72-K190 HydrophobicContact CE3-CG 4.37Å; W72-K190 HydrophobicContact CH2-CD 4.19Å; W72-K190 HydrophobicContact CH2-CG 4.29Å; W72-K190 HydrophobicContact CZ2-CD 4.45Å; W72-K190 HydrophobicContact CZ3-CD 4.34Å; W72-K190 HydrophobicContact CZ3-CG 3.99Å; C79-K190 HydrophobicContact CB-CG 4.17Å; C79-K190 PolarHBondContact N-O 2.98Å; C79-K190 PolarHBondContact O-N 3.05Å; R99-K190 PolarHBondContact O-NZ 3.02Å; R99-K190 VanDerWaalsContact O-NZ 3.1Å; E100-K190 WeakPolarHBondContact O-CB 3.44Å; E100-K190 WeakPolarHBondContact O-CD 3.26Å

Retrieved 190 of 190 residues in 38.2 ms (Link to these results)

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