A0A096MY87_PAPAN Loading...

FAM3 metabolism regulating signaling molecule C

AlphaFold DB (A0A2K6FPC5), UniProt , Accession A0A096MY87, Species PAPAN (Papio anubis, Olive baboon), Gene FAM3C, Length 227 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
1M51.4Low67.8Low242 Ų242119 Ų119100%1.19267%0.67SS**  056.70-68.5165.168.400112.7
2R56Low69.2Low233 Ų233113.8 Ų113.888%0.87965%0.653SS**  trans-132.1-16.4177.8-72.1-171.7177.5174-0.1115.6
3V57.6Low70.7Confident125 Ų125111.1 Ų111.176%0.75864%0.64SS**Hα-helixtrans-79.4-34.8-177.3-175.90000112.5G5 A6 A7V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.11Å; V3-A6 PolarHBondContact O-N 3.39Å; V3-A7 PolarHBondContact O-N 3.43Å
4A59Low71.9Confident71 Ų71106.8 Ų106.859%0.58762%0.624SS**Hα-helixtrans-68.3-27.1-179.100000113.8K8A4-K8 WeakPolarHBondContact O-CG 3.39Å; A4-K8 PolarHBondContact O-N 3.33Å
5G60.3Low73Confident50 Ų50105.2 Ų105.252%0.51562%0.616SS.*Hα-helixtrans-75.2-42176.600000112.6V3 K8 L9V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.11Å; G5-K8 PolarHBondContact O-N 2.58Å; G5-L9 PolarHBondContact O-N 2.81Å; G5-L9 VanDerWaalsContact O-N 3.12Å
6A68.3Low74Confident58 Ų58107.3 Ų107.348%0.47962%0.615SS.*Hα-helixtrans-65.3-41.5177.500000112V3 K8 L9 V10V3-A6 PolarHBondContact O-N 3.39Å; A6-K8 PolarHBondContact O-N 2.81Å; A6-L9 PolarHBondContact O-N 3.48Å; A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 2.82Å
7A73.8Confident74.9Confident55 Ų55107.4 Ų107.446%0.45561%0.613SS.*Hα-helixtrans-62.5-41.2176.700000112.6V3 L9 V10 V11V3-A7 PolarHBondContact O-N 3.43Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3Å; A7-V10 PolarHBondContact O-N 3.18Å; A7-V11 WeakPolarHBondContact O-CG2 3.42Å; A7-V11 PolarHBondContact O-N 3.34Å; A7-V11 VanDerWaalsContact O-N 3.08Å
8K72.9Confident75.7Confident161 Ų161107.9 Ų107.970%0.761%0.613SS**Hα-helixtrans-65.4-36.4176.3-74.4-179.1179.6-1720112.6A4 G5 A6 A12A4-K8 WeakPolarHBondContact O-CG 3.39Å; A4-K8 PolarHBondContact O-N 3.33Å; G5-K8 PolarHBondContact O-N 2.58Å; A6-K8 PolarHBondContact O-N 2.81Å; K8-A12 WeakPolarHBondContact O-CB 3.47Å; K8-A12 PolarHBondContact O-N 3.35Å
9L78.3Confident76.3Confident119 Ų119105.7 Ų105.762%0.62360%0.602SS**Hα-helixtrans-66.6-43.8176.6-17070.2000111.5G5 A6 A7 V11 A12 V13G5-L9 PolarHBondContact O-N 2.81Å; G5-L9 VanDerWaalsContact O-N 3.12Å; A6-L9 PolarHBondContact O-N 3.48Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3Å; L9-V11 VanDerWaalsContact C-N 3.35Å; L9-V11 PolarHBondContact O-N 3.27Å; L9-A12 PolarHBondContact O-N 2.7Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 2.85Å
10V83.5Confident76.7Confident102 Ų102106.6 Ų106.662%0.61860%0.599SS**Hα-helixtrans-62.5-43177.5173.20000111.2A6 A7 V13 A14A6-V10 WeakPolarHBondContact O-CG2 3.39Å; A6-V10 PolarHBondContact O-N 2.82Å; A7-V10 PolarHBondContact O-N 3.18Å; V10-V13 PolarHBondContact O-N 3.42Å; V10-A14 WeakPolarHBondContact O-CB 3.43Å; V10-A14 PolarHBondContact O-N 3.02Å
11V84.9Confident77.3Confident93 Ų93108.5 Ų108.556%0.56460%0.597SS**Hα-helixtrans-63.6-42.3176.1173.50000111.2A7 L9 V13 A14 V15A7-V11 WeakPolarHBondContact O-CG2 3.42Å; A7-V11 PolarHBondContact O-N 3.34Å; A7-V11 VanDerWaalsContact O-N 3.08Å; L9-V11 VanDerWaalsContact C-N 3.35Å; L9-V11 PolarHBondContact O-N 3.27Å; V11-V13 PolarHBondContact O-N 2.76Å; V11-A14 PolarHBondContact O-N 2.93Å; V11-V15 HydrophobicContact CG1-CG2 4.42Å; V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.19Å; V11-V15 PolarHBondContact O-N 3.49Å
12A84.8Confident78.9Confident57 Ų57100.6 Ų100.647%0.47156%0.563SS.*Hα-helixtrans-63.3-41.5178.200000112.5K8 L9 V15 F16K8-A12 WeakPolarHBondContact O-CB 3.47Å; K8-A12 PolarHBondContact O-N 3.35Å; L9-A12 PolarHBondContact O-N 2.7Å; A12-V15 PolarHBondContact O-N 3.36Å; A12-F16 WeakPolarHBondContact O-CB 3.32Å; A12-F16 PolarHBondContact O-N 3.05Å
13V87.6Confident80.2Confident78 Ų7894.5 Ų94.547%0.47355%0.546SS..Hα-helixtrans-66.2-42.8176.5173.70000111L9 V10 V11 V15 F16 L17L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 2.85Å; V10-V13 PolarHBondContact O-N 3.42Å; V11-V13 PolarHBondContact O-N 2.76Å; V13-V15 VanDerWaalsContact C-N 3.35Å; V13-V15 PolarHBondContact O-N 3.16Å; V13-F16 PolarHBondContact O-N 2.92Å; V13-L17 HydrophobicContact CG1-CD1 4.13Å; V13-L17 HydrophobicContact CG1-CG 4.49Å; V13-L17 WeakPolarHBondContact O-CG 3.35Å; V13-L17 PolarHBondContact O-N 3.36Å
14A88Confident81.2Confident51 Ų5190.8 Ų90.842%0.42153%0.526SS..Hα-helixtrans-61.9-42.9177.500000111.9V10 V11 L17 L18V10-A14 WeakPolarHBondContact O-CB 3.43Å; V10-A14 PolarHBondContact O-N 3.02Å; V11-A14 PolarHBondContact O-N 2.93Å; A14-L17 PolarHBondContact O-N 2.98Å; A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3.26Å
15V89.3Confident82.1Confident83 Ų8391.1 Ų91.150%0.50352%0.516SS..Hα-helixtrans-63.3-42176171.80000111V11 A12 V13 L17 L18 T19V11-V15 HydrophobicContact CG1-CG2 4.42Å; V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.19Å; V11-V15 PolarHBondContact O-N 3.49Å; A12-V15 PolarHBondContact O-N 3.36Å; V13-V15 VanDerWaalsContact C-N 3.35Å; V13-V15 PolarHBondContact O-N 3.16Å; V15-L17 PolarHBondContact O-N 3.48Å; V15-L18 PolarHBondContact O-N 3.27Å; V15-T19 HydrophobicContact CG1-CG2 4.37Å; V15-T19 WeakPolarHBondContact O-CG2 3.34Å; V15-T19 PolarHBondContact O-N 3.46Å; V15-T19 PolarHBondContact O-OG1 3.4Å
16F88.9Confident82.9Confident139 Ų13992.8 Ų92.861%0.6152%0.515SS*.Hα-helixtrans-64-40.3178.3-175.2-96.2000112.8A12 V13 T19 F20A12-F16 WeakPolarHBondContact O-CB 3.32Å; A12-F16 PolarHBondContact O-N 3.05Å; V13-F16 PolarHBondContact O-N 2.92Å; F16-T19 WeakPolarHBondContact CA-OG1 3.38Å; F16-T19 PolarHBondContact O-OG1 3.19Å; F16-F20 WeakPolarHBondContact O-CB 3.21Å; F16-F20 PolarHBondContact O-N 3.43Å
17L89.5Confident83Confident109 Ų10996.4 Ų96.457%0.57152%0.521SS*.Hα-helixtrans-67.8-38.1176.4-68.5174.2000111.8V13 A14 V15 F20 Y21V13-L17 HydrophobicContact CG1-CD1 4.13Å; V13-L17 HydrophobicContact CG1-CG 4.49Å; V13-L17 WeakPolarHBondContact O-CG 3.35Å; V13-L17 PolarHBondContact O-N 3.36Å; A14-L17 PolarHBondContact O-N 2.98Å; V15-L17 PolarHBondContact O-N 3.48Å; L17-F20 PolarHBondContact O-N 3.41Å; L17-Y21 WeakPolarHBondContact O-CB 3.38Å; L17-Y21 PolarHBondContact O-N 2.99Å
18L89.2Confident82.6Confident116 Ų11699.9 Ų99.961%0.60753%0.528SS*.Hα-helixtrans-66.2-43.3176.5-118.3148.6000111.8A14 V15 Y21 V22A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3.26Å; V15-L18 PolarHBondContact O-N 3.27Å; L18-Y21 PolarHBondContact O-N 2.94Å; L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.17Å; L18-V22 PolarHBondContact O-N 3.26Å
19T86.1Confident82.2Confident66 Ų6697.6 Ų97.641%0.40552%0.522SS..Hα-helixtrans-66-40.9176.355.90000111.3V15 F16 Y21 V22 I23V15-T19 HydrophobicContact CG1-CG2 4.37Å; V15-T19 WeakPolarHBondContact O-CG2 3.34Å; V15-T19 PolarHBondContact O-N 3.46Å; V15-T19 PolarHBondContact O-OG1 3.4Å; F16-T19 WeakPolarHBondContact CA-OG1 3.38Å; F16-T19 PolarHBondContact O-OG1 3.19Å; T19-Y21 PolarHBondContact O-N 2.98Å; T19-V22 PolarHBondContact O-N 3.48Å; T19-I23 WeakPolarHBondContact O-CB 3.33Å; T19-I23 WeakPolarHBondContact O-CD1 3.44Å; T19-I23 WeakPolarHBondContact O-CG1 3.47Å; T19-I23 PolarHBondContact O-N 2.96Å
20F85.6Confident81.3Confident124 Ų12499.5 Ų99.554%0.54453%0.525SS..Hα-helixtrans-63-41.1176.3-171.8-97.8000112.4F16 L17 I23 S24F16-F20 WeakPolarHBondContact O-CB 3.21Å; F16-F20 PolarHBondContact O-N 3.43Å; L17-F20 PolarHBondContact O-N 3.41Å; F20-I23 PolarHBondContact O-N 3.5Å; F20-S24 WeakPolarHBondContact O-CB 3.35Å; F20-S24 PolarHBondContact O-N 3.4Å; F20-S24 PolarHBondContact O-OG 3.4Å
21Y88.1Confident80.2Confident146 Ų14699.4 Ų99.457%0.57352%0.519SS*.Hα-helixtrans-62.9-46.6175.8-177.7-98.8000111.9L17 L18 T19 I23 S24 Q25L17-Y21 WeakPolarHBondContact O-CB 3.38Å; L17-Y21 PolarHBondContact O-N 2.99Å; L18-Y21 PolarHBondContact O-N 2.94Å; T19-Y21 PolarHBondContact O-N 2.98Å; Y21-I23 PolarHBondContact O-N 3.04Å; Y21-S24 PolarHBondContact O-N 2.79Å; Y21-Q25 HydrophobicContact CD1-CG 4.31Å; Y21-Q25 HydrophobicContact CE1-CG 3.93Å; Y21-Q25 WeakPolarHBondContact O-CG 3.42Å; Y21-Q25 PolarHBondContact O-N 3.46Å; Y21-Q25 PolarHBondContact OH-NE2 3.34Å
22V85.1Confident79Confident76 Ų76100.9 Ų100.946%0.46152%0.524SS..Hα-helixtrans-63.7-42.1177.9173.90000111.3L18 T19 S24 Q25 V26L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.17Å; L18-V22 PolarHBondContact O-N 3.26Å; T19-V22 PolarHBondContact O-N 3.48Å; V22-S24 VanDerWaalsContact C-N 3.32Å; V22-S24 PolarHBondContact O-N 3.44Å; V22-Q25 PolarHBondContact O-N 3.04Å; V22-V26 HydrophobicContact CG1-CG2 4.42Å; V22-V26 VanDerWaalsContact O-CG2 3.29Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.26Å
23I83.4Confident77.8Confident105 Ų105101 Ų10154%0.53853%0.525SS..Hα-helixtrans-61.8-42.3176.6-69.9165000110.6T19 F20 Y21 V26 F27T19-I23 WeakPolarHBondContact O-CB 3.33Å; T19-I23 WeakPolarHBondContact O-CD1 3.44Å; T19-I23 WeakPolarHBondContact O-CG1 3.47Å; T19-I23 PolarHBondContact O-N 2.96Å; F20-I23 PolarHBondContact O-N 3.5Å; Y21-I23 PolarHBondContact O-N 3.04Å; I23-V26 PolarHBondContact O-N 3.46Å; I23-F27 WeakPolarHBondContact O-CB 3.46Å; I23-F27 PolarHBondContact O-N 3.4Å
24S78Confident76.5Confident48 Ų48100.4 Ų100.434%0.33652%0.524SS..Hα-helixtrans-63.2-44.9179.5-57.10000111.8F20 Y21 V22 V26 F27 E28F20-S24 WeakPolarHBondContact O-CB 3.35Å; F20-S24 PolarHBondContact O-N 3.4Å; F20-S24 PolarHBondContact O-OG 3.4Å; Y21-S24 PolarHBondContact O-N 2.79Å; V22-S24 VanDerWaalsContact C-N 3.32Å; V22-S24 PolarHBondContact O-N 3.44Å; S24-V26 PolarHBondContact O-N 2.96Å; S24-F27 PolarHBondContact O-N 2.94Å; S24-E28 PolarHBondContact O-N 3.48Å
25Q78.9Confident75.2Confident78 Ų78101.9 Ų101.936%0.36453%0.525SS..Hα-helixtrans-62-42.5175.9-70.3-71.9-29.300112.2Y21 V22 F27 I29Y21-Q25 HydrophobicContact CD1-CG 4.31Å; Y21-Q25 HydrophobicContact CE1-CG 3.93Å; Y21-Q25 WeakPolarHBondContact O-CG 3.42Å; Y21-Q25 PolarHBondContact O-N 3.46Å; Y21-Q25 PolarHBondContact OH-NE2 3.34Å; V22-Q25 PolarHBondContact O-N 3.04Å; Q25-F27 VanDerWaalsContact C-N 3.33Å; Q25-F27 PolarHBondContact O-N 3.48Å; Q25-I29 WeakPolarHBondContact O-CD1 3.38Å; Q25-I29 VanDerWaalsContact O-CG1 3.24Å; Q25-I29 WeakPolarHBondContact O-CG1 3.38Å; Q25-I29 PolarHBondContact O-N 3.12Å; Q25-I29 VanDerWaalsContact O-N 3.12Å
26V76.1Confident73.7Confident84 Ų8499.9 Ų99.951%0.50952%0.521SS..Hα-helixtrans-67.3-35.7177.6171.90000111.5V22 I23 S24 K30V22-V26 HydrophobicContact CG1-CG2 4.42Å; V22-V26 VanDerWaalsContact O-CG2 3.29Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.26Å; I23-V26 PolarHBondContact O-N 3.46Å; S24-V26 PolarHBondContact O-N 2.96Å; V26-K30 WeakPolarHBondContact O-CB 3.42Å; V26-K30 PolarHBondContact O-N 3.32Å
27F71.4Confident72.3Confident134 Ų13498.6 Ų98.659%0.58852%0.52SS*.Hα-helixtrans-69.5-40.9179-147.2-88.8000111.9I23 S24 Q25 K30 M31I23-F27 WeakPolarHBondContact O-CB 3.46Å; I23-F27 PolarHBondContact O-N 3.4Å; S24-F27 PolarHBondContact O-N 2.94Å; Q25-F27 VanDerWaalsContact C-N 3.33Å; Q25-F27 PolarHBondContact O-N 3.48Å; F27-K30 PolarHBondContact O-N 3.26Å; F27-M31 HydrophobicContact CD1-CG 4.31Å; F27-M31 HydrophobicContact CD1-SD 4.28Å; F27-M31 HydrophobicContact CE1-CG 4.36Å; F27-M31 HydrophobicContact CE1-SD 4.19Å; F27-M31 WeakPolarHBondContact O-CB 3.24Å; F27-M31 PolarHBondContact O-N 3.04Å
28E65.3Low70.8Confident129 Ų12998.6 Ų98.660%0.60352%0.52SS*.Hα-helixtrans-62.1-47173.3-75.3-167166.300111.8S24 K30 M31 D32S24-E28 PolarHBondContact O-N 3.48Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 3.27Å; E28-M31 PolarHBondContact O-N 3.45Å; E28-M31 VanDerWaalsContact O-N 3.14Å; E28-D32 PolarHBondContact O-N 3.49Å
29I63.4Low69.4Low113 Ų11399.7 Ų99.758%0.57952%0.52SS*.Hα-helixtrans-60.2-40.5177.7-66.4164.9000111.4Q25 M31 A33Q25-I29 WeakPolarHBondContact O-CD1 3.38Å; Q25-I29 VanDerWaalsContact O-CG1 3.24Å; Q25-I29 WeakPolarHBondContact O-CG1 3.38Å; Q25-I29 PolarHBondContact O-N 3.12Å; Q25-I29 VanDerWaalsContact O-N 3.12Å; I29-M31 VanDerWaalsContact C-N 3.35Å; I29-A33 WeakPolarHBondContact O-CB 3.22Å; I29-A33 PolarHBondContact O-N 3.07Å; I29-A33 VanDerWaalsContact O-N 3.1Å
30K60.6Low68Low158 Ų15899 Ų9969%0.68752%0.521SS*.Hα-helixtrans-71.9-31.5-180-155178.1-174.2-177.70111.8V26 F27 E28 S34V26-K30 WeakPolarHBondContact O-CB 3.42Å; V26-K30 PolarHBondContact O-N 3.32Å; F27-K30 PolarHBondContact O-N 3.26Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 3.27Å; K30-S34 WeakPolarHBondContact O-CB 3.48Å; K30-S34 PolarHBondContact O-N 3.14Å
31M59.3Low66.5Low100 Ų100102.2 Ų102.249%0.49353%0.53SS..Hα-helixtrans-69.9-45.8174.2-89.6-163.642.900112.2F27 E28 I29 A33 S34 L35F27-M31 HydrophobicContact CD1-CG 4.31Å; F27-M31 HydrophobicContact CD1-SD 4.28Å; F27-M31 HydrophobicContact CE1-CG 4.36Å; F27-M31 HydrophobicContact CE1-SD 4.19Å; F27-M31 WeakPolarHBondContact O-CB 3.24Å; F27-M31 PolarHBondContact O-N 3.04Å; E28-M31 PolarHBondContact O-N 3.45Å; E28-M31 VanDerWaalsContact O-N 3.14Å; I29-M31 VanDerWaalsContact C-N 3.35Å; M31-A33 VanDerWaalsContact C-N 3.35Å; M31-A33 PolarHBondContact O-N 2.96Å; M31-S34 PolarHBondContact O-N 3.39Å; M31-L35 WeakPolarHBondContact O-CB 3.19Å; M31-L35 PolarHBondContact O-N 2.95Å
32D60.3Low64.8Low124 Ų12499 Ų9966%0.66353%0.529SS*.Hα-helixtrans-62.9-41.1176.9-84.1-12.4000112E28 S34 G36E28-D32 PolarHBondContact O-N 3.49Å; D32-S34 VanDerWaalsContact C-N 3.34Å; D32-S34 PolarHBondContact O-N 2.87Å; D32-G36 PolarHBondContact O-N 2.82Å
33A60.3Low63.2Low59 Ų5998.8 Ų98.849%0.48854%0.535SS..Hα-helixtrans-66-35.7175.300000112.7I29 M31 N37I29-A33 WeakPolarHBondContact O-CB 3.22Å; I29-A33 PolarHBondContact O-N 3.07Å; I29-A33 VanDerWaalsContact O-N 3.1Å; M31-A33 VanDerWaalsContact C-N 3.35Å; M31-A33 PolarHBondContact O-N 2.96Å; A33-N37 WeakPolarHBondContact O-CB 3.45Å; A33-N37 PolarHBondContact O-N 3.36Å; A33-N37 VanDerWaalsContact O-N 3.1Å
34S60.2Low61.6Low67 Ų67100.1 Ų100.147%0.46954%0.543SS..Hα-helixtrans-73.8-42.1177.7-171.20000112.1K30 M31 D32 N37 L38K30-S34 WeakPolarHBondContact O-CB 3.48Å; K30-S34 PolarHBondContact O-N 3.14Å; M31-S34 PolarHBondContact O-N 3.39Å; D32-S34 VanDerWaalsContact C-N 3.34Å; D32-S34 PolarHBondContact O-N 2.87Å; S34-N37 PolarHBondContact O-N 2.9Å; S34-L38 WeakPolarHBondContact O-CG 3.35Å; S34-L38 PolarHBondContact O-N 3.31Å
35L59.3Low60.3Low82 Ų82104.2 Ų104.243%0.42956%0.56SS.*Hα-helixtrans-63-47.3173.6-117.791.8000110.5M31 N37 L38 F39M31-L35 WeakPolarHBondContact O-CB 3.19Å; M31-L35 PolarHBondContact O-N 2.95Å; L35-N37 VanDerWaalsContact C-N 3.31Å; L35-N37 PolarHBondContact O-N 3.48Å; L35-L38 PolarHBondContact O-N 3.2Å; L35-F39 HydrophobicContact CB-CD2 4.49Å; L35-F39 HydrophobicContact CD2-CD2 4.31Å; L35-F39 HydrophobicContact CD2-CE2 3.69Å; L35-F39 HydrophobicContact CG-CD2 4.37Å; L35-F39 HydrophobicContact CG-CE2 4.01Å; L35-F39 WeakPolarHBondContact O-CD2 3.47Å; L35-F39 PolarHBondContact O-N 3.47Å
36G59.6Low58.9Low41 Ų41106.6 Ų106.642%0.42358%0.581SS.*Hα-helixtrans-57.5-41.6176.900000112.8D32 A40D32-G36 PolarHBondContact O-N 2.82Å; G36-A40 VanDerWaalsContact O-CB 3.26Å; G36-A40 WeakPolarHBondContact O-CB 3.43Å; G36-A40 PolarHBondContact O-N 3.46Å
37N59.5Low57.7Low112 Ų112106.5 Ų106.560%0.59959%0.589SS**Hα-helixtrans-69.8-29.4174.9-90.7-15.4000113.9A33 S34 L35 R41A33-N37 WeakPolarHBondContact O-CB 3.45Å; A33-N37 PolarHBondContact O-N 3.36Å; A33-N37 VanDerWaalsContact O-N 3.1Å; S34-N37 PolarHBondContact O-N 2.9Å; L35-N37 VanDerWaalsContact C-N 3.31Å; L35-N37 PolarHBondContact O-N 3.48Å; N37-R41 VanDerWaalsContact O-CG 3.28Å; N37-R41 WeakPolarHBondContact O-CG 3.47Å; N37-R41 PolarHBondContact O-N 2.99Å
38L57.5Low56.8Low108 Ų108103.5 Ų103.557%0.56559%0.589SS**Hα-helixtrans-74.2-42.3174.5-80.2163.6000111.8S34 L35 R41 S42S34-L38 WeakPolarHBondContact O-CG 3.35Å; S34-L38 PolarHBondContact O-N 3.31Å; L35-L38 PolarHBondContact O-N 3.2Å; L38-R41 PolarHBondContact O-N 2.63Å; L38-S42 PolarHBondContact O-N 3.24Å
39F59Low56.4Low139 Ų139108.5 Ų108.561%0.6160%0.602SS**Hα-helixtrans-69.9-36.8176.5-79.2-72.5000112.6L35 R41 S42 A43L35-F39 HydrophobicContact CB-CD2 4.49Å; L35-F39 HydrophobicContact CD2-CD2 4.31Å; L35-F39 HydrophobicContact CD2-CE2 3.69Å; L35-F39 HydrophobicContact CG-CD2 4.37Å; L35-F39 HydrophobicContact CG-CE2 4.01Å; L35-F39 WeakPolarHBondContact O-CD2 3.47Å; L35-F39 PolarHBondContact O-N 3.47Å; F39-R41 VanDerWaalsContact C-N 3.32Å; F39-R41 PolarHBondContact O-N 3.45Å; F39-S42 PolarHBondContact O-N 3Å; F39-A43 WeakPolarHBondContact O-CB 3.34Å; F39-A43 PolarHBondContact O-N 3.31Å
40A57.4Low55.9Low52 Ų52107.5 Ų107.543%0.4361%0.605SS.*Hα-helixtrans-64.8-34.4173.700000112.5G36 L44G36-A40 VanDerWaalsContact O-CB 3.26Å; G36-A40 WeakPolarHBondContact O-CB 3.43Å; G36-A40 PolarHBondContact O-N 3.46Å; A40-L44 PolarHBondContact O-N 2.9Å
41R54Low56Low192 Ų192106.8 Ų106.873%0.72561%0.614SS**Hα-helixtrans-70-40173.2-76.8177176.1-165.5-1.1112.5N37 L38 F39 L44 D45N37-R41 VanDerWaalsContact O-CG 3.28Å; N37-R41 WeakPolarHBondContact O-CG 3.47Å; N37-R41 PolarHBondContact O-N 2.99Å; L38-R41 PolarHBondContact O-N 2.63Å; F39-R41 VanDerWaalsContact C-N 3.32Å; F39-R41 PolarHBondContact O-N 3.45Å; R41-L44 PolarHBondContact O-N 2.83Å; R41-D45 PolarHBondContact O-N 3.46Å
42S51.2Low56.3Low79 Ų79109.8 Ų109.855%0.55263%0.625SS**Hα-helixtrans-69.7-31.6177.9-167.70000113.3L38 F39L38-S42 PolarHBondContact O-N 3.24Å; F39-S42 PolarHBondContact O-N 3Å
43A53.1Low56.8Low71 Ų71109.3 Ų109.359%0.58763%0.628SS**Hα-helixtrans-74.6-30.6177.300000112.7F39 T46F39-A43 WeakPolarHBondContact O-CB 3.34Å; F39-A43 PolarHBondContact O-N 3.31Å; A43-T46 PolarHBondContact O-N 3.17Å
44L50.1Low57.7Low133 Ų133110.8 Ų110.870%0.69663%0.633SS**Hα-helixtrans-72.8-26.5177.1-104.3149.4000113.5A40 R41 T46 A47A40-L44 PolarHBondContact O-N 2.9Å; R41-L44 PolarHBondContact O-N 2.83Å; L44-T46 VanDerWaalsContact C-N 3.26Å; L44-T46 PolarHBondContact O-N 3.28Å; L44-A47 PolarHBondContact O-N 3.25Å
45D49.7Very low59.1Low133 Ų133117.7 Ų117.771%0.71165%0.649SS**G310 helixtrans-73.3-14.1176-97.5-20.2000113.8R41 A47R41-D45 PolarHBondContact O-N 3.46Å; D45-A47 VanDerWaalsContact C-N 3.3Å
46T49.4Very low60.8Low129 Ų129117.7 Ų117.779%0.79164%0.643SS**G310 helixtrans-83.2-10.1177-43.80000112.4A43 L44A43-T46 PolarHBondContact O-N 3.17Å; L44-T46 VanDerWaalsContact C-N 3.26Å; L44-T46 PolarHBondContact O-N 3.28Å
47A51.3Low62.6Low82 Ų82120.7 Ų120.768%0.67865%0.645SS**G310 helixtrans-110.214.717700000113.4L44 D45 R49L44-A47 PolarHBondContact O-N 3.25Å; D45-A47 VanDerWaalsContact C-N 3.3Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.5Å
48A53.2Low64.4Low71 Ų71116.1 Ų116.159%0.58762%0.622SS**  trans-69.988.8168.800000108.9S50A48-S50 PolarHBondContact O-N 3.33Å
49R55.5Low66.2Low233 Ų233112.6 Ų112.688%0.87961%0.611SS**  trans-44.2116.7161.4-112177.9178.4171.2-0.3107.1A47 T51A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.5Å; R49-T51 PolarHBondContact O-N 3.32Å
50S52.9Low68Low92 Ų92106.5 Ų106.564%0.64359%0.585SS**  trans-45.1111.6175.5166.80000109.3A48 K52A48-S50 PolarHBondContact O-N 3.33Å; S50-K52 PolarHBondContact O-N 3.48Å; S50-K52 PolarHBondContact OG-N 3.21Å; S50-K52 PolarHBondContact OG-O 3.12Å
51T62.8Low69.8Low143 Ų143108.5 Ų108.588%0.87760%0.595SS**  trans-72.7-6.1175.850.30000112.1R49R49-T51 PolarHBondContact O-N 3.32Å
52K66.5Low71.7Confident164 Ų164106.3 Ų106.371%0.71359%0.591SS**SBendtrans-74.6128.5171.9-66-177.8-178.7176.70109S50S50-K52 PolarHBondContact O-N 3.48Å; S50-K52 PolarHBondContact OG-N 3.21Å; S50-K52 PolarHBondContact OG-O 3.12Å
53P70.6Confident73.8Confident114 Ų114105.4 Ų105.474%0.7459%0.588SS**PPolyproline II helixtrans-53.9143.3172.621.8-30.8000109.6R55P53-R55 PolarHBondContact O-N 3.41Å
54P78.3Confident76Confident90 Ų90103.6 Ų103.658%0.58457%0.571SS**PPolyproline II helixtrans-56.9126.7179.923-32.3000109.4Y56P54-Y56 HydrophobicContact CB-CE1 4.28Å; P54-Y56 HydrophobicContact CG-CE1 4.44Å; P54-Y56 HydrophobicContact CG-CE2 4.22Å; P54-Y56 WeakPolarHBondContact CG-OH 3.47Å
55R89.6Confident78.2Confident212 Ų212101.1 Ų101.180%0.856%0.563SS**  trans-85.9114.1175.8-176.6177.1173.1176.1-4.7108.4P53P53-R55 PolarHBondContact O-N 3.41Å
56Y95.9Very high80.4Confident81 Ų81103.1 Ų103.132%0.31857%0.568SS.*  trans-85.6163.6174.1-55.2-67.9000111.2P54 C58 G59 I60 S61 A63P54-Y56 HydrophobicContact CB-CE1 4.28Å; P54-Y56 HydrophobicContact CG-CE1 4.44Å; P54-Y56 HydrophobicContact CG-CE2 4.22Å; P54-Y56 WeakPolarHBondContact CG-OH 3.47Å; Y56-C58 PolarHBondContact O-N 2.75Å; Y56-G59 WeakPolarHBondContact O-CA 3.45Å; Y56-G59 PolarHBondContact O-N 2.99Å; Y56-I60 WeakPolarHBondContact CD2-O 3.38Å; Y56-S61 WeakPolarHBondContact CE2-O 3.5Å; Y56-A63 HydrophobicContact CD1-CB 3.74Å; Y56-A63 HydrophobicContact CE1-CB 3.72Å
57K97.6Very high82.7Confident105 Ų105102.9 Ų102.946%0.45756%0.556SS.*G310 helixtrans-51.2136.2178.2-67.1-178.6177.8176.10110.9G59 I60 A70 E88 D89K57-G59 PolarHBondContact O-N 2.81Å; K57-G59 VanDerWaalsContact O-N 3.07Å; K57-I60 WeakPolarHBondContact O-CG1 3.41Å; K57-I60 PolarHBondContact O-N 3.47Å; K57-A70 HydrophobicContact CB-CB 3.73Å; K57-A70 HydrophobicContact CD-CB 4.44Å; K57-E88 IonicContact NZ-OE1 2.72Å; K57-E88 IonicContact NZ-OE2 3.69Å; K57-E88 PolarHBondContact NZ-OE2 3.02Å; K57-D89 HydrophobicContact CB-CB 4.06Å; K57-D89 HydrophobicContact CG-CB 4.21Å
58C96.5Very high84.9Confident16 Ų16101.9 Ų101.911%0.10854%0.537CS..G310 helixtrans60.27.6-173.8-66.80000115.8Y56 I60 K72 C86 L87 D89Y56-C58 PolarHBondContact O-N 2.75Å; C58-I60 VanDerWaalsContact C-N 3.33Å; C58-I60 HydrophobicContact CB-CG2 4.29Å; C58-K72 HydrophobicContact CB-CB 3.86Å; C58-K72 WeakPolarHBondContact O-CD 3.35Å; C58-C86 WeakPolarHBondContact CA-SG 3.33Å; C58-C86 HydrophobicContact CB-CB 3.81Å; C58-C86 WeakPolarHBondContact CB-SG 3.43Å; C58-C86 WeakPolarHBondContact SG-CB 3.3Å; C58-C86 CovalentContact SG-SG 2.05Å; C58-C86 PolarHBondContact SG-SG 3.47Å; C58-L87 PolarHBondContact SG-N 2.96Å; C58-D89 PolarHBondContact N-OD1 3.35Å; C58-D89 PolarHBondContact SG-N 3.48Å
59G95.8Very high87.1Confident33 Ų3399.1 Ų99.134%0.3451%0.512SS..G310 helixtrans67.832.9-175.900000113.2Y56 K57 K72Y56-G59 WeakPolarHBondContact O-CA 3.45Å; Y56-G59 PolarHBondContact O-N 2.99Å; K57-G59 PolarHBondContact O-N 2.81Å; K57-G59 VanDerWaalsContact O-N 3.07Å; G59-K72 PolarHBondContact O-NZ 2.64Å
60I96.7Very high89.1Confident12 Ų1288.1 Ų88.16%0.06247%0.471CS..  trans-71159.2171.766.4178.7000110.9Y56 K57 C58 K62 A70 F71 K72 E219Y56-I60 WeakPolarHBondContact CD2-O 3.38Å; K57-I60 WeakPolarHBondContact O-CG1 3.41Å; K57-I60 PolarHBondContact O-N 3.47Å; C58-I60 VanDerWaalsContact C-N 3.33Å; C58-I60 HydrophobicContact CB-CG2 4.29Å; I60-K62 WeakPolarHBondContact CD1-O 3.28Å; I60-K62 WeakPolarHBondContact CG1-O 3.41Å; I60-K62 PolarHBondContact O-N 2.8Å; I60-A70 HydrophobicContact CD1-CB 3.81Å; I60-F71 WeakPolarHBondContact CG2-O 3.16Å; I60-K72 HydrophobicContact CG2-CB 4.22Å; I60-E219 HydrophobicContact CG2-CB 3.88Å
61S94.7Very high91.3Very high93 Ų9383.8 Ų83.865%0.6544%0.44SS*.SBendtrans-68.2-28.6-175.551.20000115.2Y56 E219Y56-S61 WeakPolarHBondContact CE2-O 3.5Å; S61-E219 VanDerWaalsContact CB-OE1 3.3Å; S61-E219 WeakPolarHBondContact CB-OE1 3.22Å; S61-E219 PolarHBondContact N-OE1 3.49Å; S61-E219 PolarHBondContact OG-OE1 2.8Å
62K94.4Very high93Very high147 Ų14779.7 Ų79.764%0.63941%0.41SS*.SBendtrans-146154.5-177.963.2-177.4179.8-178.50111.5I60I60-K62 WeakPolarHBondContact CD1-O 3.28Å; I60-K62 WeakPolarHBondContact CG1-O 3.41Å; I60-K62 PolarHBondContact O-N 2.8Å
63A96.3Very high94.6Very high60 Ų6072 Ų7250%0.49638%0.377SS..PPolyproline II helixtrans-60.9144.3175.100000112Y56Y56-A63 HydrophobicContact CD1-CB 3.74Å; Y56-A63 HydrophobicContact CE1-CB 3.72Å
64C97.6Very high95.9Very high32 Ų3267.2 Ų67.222%0.21635%0.347CS..PPolyproline II helixtrans-75.9149.6171-71.70000111.5H68 C221C64-H68 HydrophobicContact CB-CB 4.14Å; C64-C221 WeakPolarHBondContact CA-SG 3.37Å; C64-C221 HydrophobicContact CB-CB 3.75Å; C64-C221 WeakPolarHBondContact CB-SG 3.38Å; C64-C221 VanDerWaalsContact SG-CA 3.57Å; C64-C221 WeakPolarHBondContact SG-CB 3.28Å; C64-C221 CovalentContact SG-SG 2.04Å; C64-C221 PolarHBondContact SG-SG 3.12Å
65P97.5Very high96.9Very high81 Ų8163.1 Ų63.153%0.52632%0.32SS..PPolyproline II helixtrans-60.5166.4170.5-18.631.6000111.9H68P65-H68 PolarHBondContact O-N 3.01Å
66E96.3Very high97.3Very high175 Ų17553 Ų5382%0.81828%0.282SS*.THydrogen-bonded Turntrans-55.9150.6171.1-64.8-174.4-17900111.5H68E66-H68 PolarHBondContact O-N 2.82Å; E66-H68 PolarHBondContact O-ND1 3.33Å
67K96.6Very high97.4Very high125 Ų12549.6 Ų49.654%0.54327%0.271SS..THydrogen-bonded Turntrans56.336.8-179.1-56.3179.2175-167.80113.3Q224K67-Q224 HydrophobicContact CB-CB 4.32Å; K67-Q224 WeakPolarHBondContact O-CB 3.34Å; K67-Q224 PolarHBondContact O-N 2.78Å
68H98.3Very high97.5Very high61 Ų6145 Ų4528%0.28225%0.252SS..EExtended strand (participates in β ladder)trans-131.5148.1171.5-68.368.2000111C64 P65 E66 C221 I222C64-H68 HydrophobicContact CB-CB 4.14Å; P65-H68 PolarHBondContact O-N 3.01Å; E66-H68 PolarHBondContact O-N 2.82Å; E66-H68 PolarHBondContact O-ND1 3.33Å; H68-C221 HydrophobicContact CB-CB 3.97Å; H68-I222 CarbonylContact C-O 3.58Å; H68-I222 WeakPolarHBondContact CA-O 3.5Å
69F98.4Very high97.5Very high13 Ų1348.2 Ų48.26%0.05727%0.268CS..EExtended strand (participates in β ladder)trans-97.8127171.5-57.2-59.8000110.7L87 E88 G114 I144 C221 I222 Q224F69-L87 HydrophobicContact CB-CD1 3.93Å; F69-E88 WeakPolarHBondContact CA-OE1 3.39Å; F69-E88 HydrophobicContact CB-CG 3.99Å; F69-E88 HydrophobicContact CD1-CG 3.58Å; F69-E88 HydrophobicContact CG-CG 4.2Å; F69-G114 VanDerWaalsContact CZ-N 3.33Å; F69-I144 HydrophobicContact CD2-CD1 3.78Å; F69-I144 HydrophobicContact CE2-CD1 4.16Å; F69-C221 CarbonylContact O-C 3.56Å; F69-C221 WeakPolarHBondContact O-CA 3.1Å; F69-I222 HydrophobicContact CB-CB 4.4Å; F69-I222 PolarHBondContact N-O 3.02Å; F69-I222 PolarHBondContact O-N 3.05Å; F69-Q224 HydrophobicContact CE2-CB 3.95Å; F69-Q224 HydrophobicContact CE2-CG 3.86Å; F69-Q224 HydrophobicContact CZ-CB 4.18Å; F69-Q224 HydrophobicContact CZ-CG 3.73Å
70A98.6Very high97.6Very high2 Ų251.8 Ų51.82%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-73.1133.3172.400000110.4K57 I60 L87 E88K57-A70 HydrophobicContact CB-CB 3.73Å; K57-A70 HydrophobicContact CD-CB 4.44Å; I60-A70 HydrophobicContact CD1-CB 3.81Å; A70-L87 CarbonylContact O-C 3.51Å; A70-L87 WeakPolarHBondContact O-CA 3.41Å; A70-E88 PolarHBondContact N-OE1 2.92Å; A70-E88 PolarHBondContact O-N 3.38Å
71F98.8Very high97.7Very high0 Ų055.4 Ų55.40%031%0.306CS..EExtended strand (participates in β ladder)trans-135.4153.3170.280.5-81.4000111.5I60 M73 C86 L87 L146 C185 F196 M218 E219 G220 I222I60-F71 WeakPolarHBondContact CG2-O 3.16Å; F71-M73 HydrophobicContact CD2-CG 4.23Å; F71-M73 HydrophobicContact CD2-SD 4.12Å; F71-M73 HydrophobicContact CE2-CG 4.14Å; F71-M73 HydrophobicContact CE2-SD 3.93Å; F71-C86 VanDerWaalsContact CA-O 3.23Å; F71-C86 WeakPolarHBondContact CA-O 3.29Å; F71-C86 WeakPolarHBondContact CB-O 3.22Å; F71-L87 HydrophobicContact CB-CD1 4.01Å; F71-L146 HydrophobicContact CB-CD2 4.14Å; F71-L146 HydrophobicContact CD2-CD2 4.14Å; F71-L146 HydrophobicContact CG-CD2 4.34Å; F71-C185 HydrophobicContact CE2-CB 4.19Å; F71-C185 HydrophobicContact CZ-CB 4.2Å; F71-F196 AromaticContact CE1-CD1 3.83Å; F71-F196 HydrophobicContact CE1-CD1 3.83Å; F71-F196 HydrophobicContact CE1-CD2 4.26Å; F71-F196 HydrophobicContact CE1-CE1 4.04Å; F71-F196 HydrophobicContact CE1-CE2 4.45Å; F71-F196 AromaticContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CZ 4.36Å; F71-F196 HydrophobicContact CZ-CB 3.93Å; F71-F196 AromaticContact CZ-CD1 3.7Å; F71-F196 HydrophobicContact CZ-CD1 3.7Å; F71-F196 HydrophobicContact CZ-CD2 4.46Å; F71-F196 HydrophobicContact CZ-CE1 4.35Å; F71-F196 AromaticContact CZ-CG 3.77Å; F71-F196 HydrophobicContact CZ-CG 3.77Å; F71-M218 HydrophobicContact CE2-CE 3.91Å; F71-M218 HydrophobicContact CE2-CG 4.02Å; F71-M218 HydrophobicContact CZ-CE 4.22Å; F71-M218 HydrophobicContact CZ-CG 4.11Å; F71-M218 HydrophobicContact CZ-SD 4.45Å; F71-E219 WeakPolarHBondContact O-CA 3.49Å; F71-G220 VanDerWaalsContact CD1-C 3.45Å; F71-G220 VanDerWaalsContact CD1-O 3.26Å; F71-G220 WeakPolarHBondContact CD1-O 3.28Å; F71-G220 VanDerWaalsContact CE1-C 3.42Å; F71-G220 PolarHBondContact N-O 3.48Å; F71-G220 PolarHBondContact O-N 3.3Å; F71-G220 VanDerWaalsContact O-N 3.08Å; F71-I222 HydrophobicContact CB-CD1 4.24Å; F71-I222 HydrophobicContact CD1-CD1 3.79Å; F71-I222 HydrophobicContact CD1-CG1 3.57Å; F71-I222 HydrophobicContact CE1-CD1 4.44Å; F71-I222 HydrophobicContact CE1-CG1 3.9Å; F71-I222 HydrophobicContact CG-CD1 4.16Å; F71-I222 HydrophobicContact CG-CG1 4.43Å
72K98.8Very high97.9Very high58 Ų5851.6 Ų51.625%0.25228%0.281SS..EExtended strand (participates in β ladder)trans-143.8132.3168.2-174.3164.7-174143.70109C58 G59 I60 C86 M218 E219C58-K72 HydrophobicContact CB-CB 3.86Å; C58-K72 WeakPolarHBondContact O-CD 3.35Å; G59-K72 PolarHBondContact O-NZ 2.64Å; I60-K72 HydrophobicContact CG2-CB 4.22Å; K72-C86 PolarHBondContact N-O 3.31Å; K72-C86 WeakPolarHBondContact O-CB 3.39Å; K72-C86 PolarHBondContact O-N 2.92Å; K72-M218 WeakPolarHBondContact CA-O 3.13Å; K72-E219 HydrophobicContact CB-CB 4.21Å; K72-E219 HydrophobicContact CD-CB 4.46Å; K72-E219 WeakPolarHBondContact CE-OE2 3.41Å; K72-E219 HydrophobicContact CG-CB 4.1Å; K72-E219 IonicContact NZ-OE2 3.47Å; K72-E219 PolarHBondContact NZ-OE2 3.38Å
73M98.6Very high98.1Very high3 Ų344.6 Ų44.62%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-142150.9-179.163.9-168.6-54.500112.6F71 K84 I85 L146 M147 V183 F184 C185 E217 M218F71-M73 HydrophobicContact CD2-CG 4.23Å; F71-M73 HydrophobicContact CD2-SD 4.12Å; F71-M73 HydrophobicContact CE2-CG 4.14Å; F71-M73 HydrophobicContact CE2-SD 3.93Å; M73-K84 CarbonylContact C-O 3.59Å; M73-K84 WeakPolarHBondContact CA-O 3.44Å; M73-I85 HydrophobicContact CB-CG1 4.4Å; M73-I85 HydrophobicContact CE-CD1 4.5Å; M73-I85 HydrophobicContact CE-CG1 4.47Å; M73-L146 HydrophobicContact CE-CB 4.3Å; M73-L146 HydrophobicContact SD-CD2 4.42Å; M73-M147 WeakPolarHBondContact CE-O 3.26Å; M73-V183 HydrophobicContact CE-CB 3.86Å; M73-V183 HydrophobicContact CE-CG1 4.18Å; M73-V183 HydrophobicContact CG-CB 4.01Å; M73-V183 HydrophobicContact CG-CG1 4.27Å; M73-V183 HydrophobicContact SD-CB 4.12Å; M73-F184 WeakPolarHBondContact CE-O 3.41Å; M73-C185 HydrophobicContact SD-CB 4.48Å; M73-E217 WeakPolarHBondContact O-CA 3.11Å; M73-M218 HydrophobicContact CG-CB 4.22Å; M73-M218 HydrophobicContact CG-CE 4.25Å; M73-M218 PolarHBondContact N-O 2.85Å; M73-M218 PolarHBondContact O-N 3.22Å; M73-M218 HydrophobicContact SD-CE 3.58Å; M73-M218 VanDerWaalsContact SD-CE 3.58Å
74A98.9Very high98.2Very high12 Ų1247.1 Ų47.110%0.09925%0.251CS..EExtended strand (participates in β ladder)trans-138.6139.5177.200000109P83 K84 V215 V216 E217A74-P83 VanDerWaalsContact O-CA 3.26Å; A74-P83 WeakPolarHBondContact O-CA 3.45Å; A74-P83 WeakPolarHBondContact O-CB 3.2Å; A74-K84 PolarHBondContact N-O 3.01Å; A74-K84 PolarHBondContact O-N 3.22Å; A74-V215 HydrophobicContact CB-CG1 3.95Å; A74-V216 WeakPolarHBondContact CA-O 3.26Å; A74-E217 HydrophobicContact CB-CG 3.91Å
75S98.9Very high98.3Very high4 Ų445.6 Ų45.63%0.02824%0.24CC..  trans-66.7173.1166.356.40000111.4N181 V215 V216S75-N181 WeakPolarHBondContact CB-OD1 3.33Å; S75-N181 PolarHBondContact OG-ND2 3.26Å; S75-V215 WeakPolarHBondContact O-CG1 3.49Å; S75-V216 PolarHBondContact N-O 2.81Å; S75-V216 WeakPolarHBondContact OG-CG1 3.46Å; S75-V216 PolarHBondContact OG-N 3.12Å; S75-V216 PolarHBondContact OG-O 2.76Å
76G98.6Very high98.3Very high0 Ų042 Ų420%022%0.217CC..  trans-73.7155.3173.200000113.3V81 T149 N181G76-V81 CarbonylContact C-O 3.58Å; G76-V81 WeakPolarHBondContact CA-O 3.36Å; G76-T149 PolarHBondContact N-O 2.86Å; G76-N181 PolarHBondContact O-ND2 3.48Å
77A98.5Very high98.4Very high10 Ų1033.8 Ų33.88%0.08318%0.179CC..BIsolated β-bridgetrans-96.1106.8168.800000109.1N79 V80 V81 Y209 V215A77-N79 PolarHBondContact O-N 3.4Å; A77-V80 VanDerWaalsContact O-CG2 3.29Å; A77-V80 WeakPolarHBondContact O-CG2 3.29Å; A77-V80 PolarHBondContact O-N 3.4Å; A77-V80 VanDerWaalsContact O-N 3.1Å; A77-V81 HydrophobicContact CB-CB 3.92Å; A77-V81 HydrophobicContact CB-CG2 4.39Å; A77-V81 PolarHBondContact N-O 3.08Å; A77-V81 PolarHBondContact O-N 3Å; A77-Y209 HydrophobicContact CB-CE2 4.04Å; A77-V215 HydrophobicContact CB-CG2 3.57Å
78A97.9Very high98.5Very high8 Ų829.9 Ų29.97%0.06616%0.162CC..THydrogen-bonded Turntrans46.6-127.9-171.600000110.8Y150 D151 Y209 W212A78-Y150 WeakPolarHBondContact O-CD2 2.97Å; A78-Y150 WeakPolarHBondContact O-CE2 3.37Å; A78-D151 WeakPolarHBondContact O-CA 3.5Å; A78-D151 PolarHBondContact O-N 3.29Å; A78-Y209 HydrophobicContact CB-CD2 4.34Å; A78-Y209 HydrophobicContact CB-CG 4.41Å; A78-W212 HydrophobicContact CB-CB 3.97Å; A78-W212 HydrophobicContact CB-CD2 3.7Å; A78-W212 HydrophobicContact CB-CE3 3.98Å; A78-W212 HydrophobicContact CB-CG 3.73Å
79N97.5Very high98.5Very high83 Ų8330.8 Ų30.844%0.44417%0.17SC..THydrogen-bonded Turntrans-10811.2174.365.5-20.8000113.2A77 Y150 D151 W212A77-N79 PolarHBondContact O-N 3.4Å; N79-Y150 VanDerWaalsContact C-OH 3.26Å; N79-Y150 PolarHBondContact O-OH 3.04Å; N79-D151 HydrophobicContact CB-CB 3.98Å; N79-W212 HydrophobicContact CB-CZ2 4.38Å
80V97.8Very high98.5Very high108 Ų10835 Ų3566%0.65519%0.193SC*.THydrogen-bonded Turntrans-106.7-32.1-171.4-680000114.3A77A77-V80 VanDerWaalsContact O-CG2 3.29Å; A77-V80 WeakPolarHBondContact O-CG2 3.29Å; A77-V80 PolarHBondContact O-N 3.4Å; A77-V80 VanDerWaalsContact O-N 3.1Å
81V98.4Very high98.5Very high88 Ų8837.3 Ų37.353%0.53321%0.206SC..BIsolated β-bridgetrans-121.8118176.6-178.10000108.4G76 A77 Y150G76-V81 CarbonylContact C-O 3.58Å; G76-V81 WeakPolarHBondContact CA-O 3.36Å; A77-V81 HydrophobicContact CB-CB 3.92Å; A77-V81 HydrophobicContact CB-CG2 4.39Å; A77-V81 PolarHBondContact N-O 3.08Å; A77-V81 PolarHBondContact O-N 3Å; V81-Y150 VanDerWaalsContact O-CE2 3.28Å; V81-Y150 WeakPolarHBondContact O-CE2 3.33Å
82G98.5Very high98.5Very high13 Ų1338.1 Ų38.113%0.13421%0.21CC..  trans-69.4162177.300000113.3
83P98.8Very high98.5Very high1 Ų135.4 Ų35.41%0.00620%0.199CC..  trans-65.2166.2-179.527-35.6000111.4A74 S94 V100 N105A74-P83 VanDerWaalsContact O-CA 3.26Å; A74-P83 WeakPolarHBondContact O-CA 3.45Å; A74-P83 WeakPolarHBondContact O-CB 3.2Å; P83-S94 WeakPolarHBondContact O-CA 3.21Å; P83-V100 HydrophobicContact CG-CB 4.26Å; P83-V100 HydrophobicContact CG-CG1 4.12Å; P83-N105 HydrophobicContact CG-CB 3.93Å
84K98.9Very high98.5Very high112 Ų11235.5 Ų35.549%0.48720%0.2SC..EExtended strand (participates in β ladder)trans-130.5131.3174.7-174.5177.2178.1-177.30109.6M73 A74 V91 M93M73-K84 CarbonylContact C-O 3.59Å; M73-K84 WeakPolarHBondContact CA-O 3.44Å; A74-K84 PolarHBondContact N-O 3.01Å; A74-K84 PolarHBondContact O-N 3.22Å; K84-V91 HydrophobicContact CG-CG1 4.47Å; K84-M93 CarbonylContact C-O 3.57Å; K84-M93 WeakPolarHBondContact CA-O 3.45Å
85I98.9Very high98.4Very high0 Ų036.6 Ų36.60%021%0.212CC..EExtended strand (participates in β ladder)trans-128.6120.9175.9-55.5-179.6000108.2M73 L92 M93 A107 L146M73-I85 HydrophobicContact CB-CG1 4.4Å; M73-I85 HydrophobicContact CE-CD1 4.5Å; M73-I85 HydrophobicContact CE-CG1 4.47Å; I85-L92 PolarHBondContact O-N 3.42Å; I85-M93 HydrophobicContact CB-CB 4.2Å; I85-M93 HydrophobicContact CD1-CB 4.45Å; I85-M93 HydrophobicContact CD1-SD 3.99Å; I85-M93 HydrophobicContact CG1-CB 4.36Å; I85-M93 PolarHBondContact N-O 3.07Å; I85-M93 PolarHBondContact O-N 3.1Å; I85-A107 HydrophobicContact CD1-CB 4.41Å; I85-A107 HydrophobicContact CG2-CB 4.19Å; I85-L146 HydrophobicContact CD1-CB 4.43Å; I85-L146 HydrophobicContact CG2-CB 3.82Å; I85-L146 HydrophobicContact CG2-CD2 3.88Å; I85-L146 HydrophobicContact CG2-CG 4.3Å
86C98.8Very high98.4Very high6 Ų642.7 Ų42.74%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-123136.2176.6-178.70000110.4C58 F71 K72 N90C58-C86 WeakPolarHBondContact CA-SG 3.33Å; C58-C86 HydrophobicContact CB-CB 3.81Å; C58-C86 WeakPolarHBondContact CB-SG 3.43Å; C58-C86 WeakPolarHBondContact SG-CB 3.3Å; C58-C86 CovalentContact SG-SG 2.05Å; C58-C86 PolarHBondContact SG-SG 3.47Å; F71-C86 VanDerWaalsContact CA-O 3.23Å; F71-C86 WeakPolarHBondContact CA-O 3.29Å; F71-C86 WeakPolarHBondContact CB-O 3.22Å; K72-C86 PolarHBondContact N-O 3.31Å; K72-C86 WeakPolarHBondContact O-CB 3.39Å; K72-C86 PolarHBondContact O-N 2.92Å; C86-N90 WeakPolarHBondContact CA-O 3.31Å
87L98.8Very high98.3Very high3 Ų347.9 Ų47.92%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-135.7128.7174.3-176.669.1000109C58 F69 A70 F71 D89 N90 L92 A109 I222C58-L87 PolarHBondContact SG-N 2.96Å; F69-L87 HydrophobicContact CB-CD1 3.93Å; A70-L87 CarbonylContact O-C 3.51Å; A70-L87 WeakPolarHBondContact O-CA 3.41Å; F71-L87 HydrophobicContact CB-CD1 4.01Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 2.91Å; L87-N90 PolarHBondContact N-O 3.03Å; L87-N90 WeakPolarHBondContact O-CA 3.28Å; L87-N90 WeakPolarHBondContact O-CB 3.26Å; L87-N90 PolarHBondContact O-N 3Å; L87-L92 HydrophobicContact CB-CD1 3.87Å; L87-L92 HydrophobicContact CB-CG 4.26Å; L87-L92 HydrophobicContact CD2-CD1 4.35Å; L87-A109 HydrophobicContact CD2-CB 3.41Å; L87-A109 VanDerWaalsContact CD2-CB 3.41Å; L87-I222 HydrophobicContact CD1-CD1 3.96Å
88E97.9Very high98.3Very high42 Ų4254.5 Ų54.520%0.19631%0.306CS..THydrogen-bonded Turntrans51.843.2178.6-72.7-67.597.600113.9K57 F69 A70 N90K57-E88 IonicContact NZ-OE1 2.72Å; K57-E88 IonicContact NZ-OE2 3.69Å; K57-E88 PolarHBondContact NZ-OE2 3.02Å; F69-E88 WeakPolarHBondContact CA-OE1 3.39Å; F69-E88 HydrophobicContact CB-CG 3.99Å; F69-E88 HydrophobicContact CD1-CG 3.58Å; F69-E88 HydrophobicContact CG-CG 4.2Å; A70-E88 PolarHBondContact N-OE1 2.92Å; A70-E88 PolarHBondContact O-N 3.38Å; E88-N90 PolarHBondContact O-N 3.05Å; E88-N90 PolarHBondContact O-ND2 3.01Å
89D97.7Very high98.4Very high81 Ų8155.8 Ų55.843%0.43331%0.311SS..THydrogen-bonded Turntrans66.13.4-175.3-14539.5000115.4K57 C58 L87K57-D89 HydrophobicContact CB-CB 4.06Å; K57-D89 HydrophobicContact CG-CB 4.21Å; C58-D89 PolarHBondContact N-OD1 3.35Å; C58-D89 PolarHBondContact SG-N 3.48Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 2.91Å
90N98.2Very high98.4Very high102 Ų10252.9 Ų52.955%0.54530%0.297SS..EExtended strand (participates in β ladder)trans-94.6117.4174-59.8-61.9000110.1C86 L87 E88 L92C86-N90 WeakPolarHBondContact CA-O 3.31Å; L87-N90 PolarHBondContact N-O 3.03Å; L87-N90 WeakPolarHBondContact O-CA 3.28Å; L87-N90 WeakPolarHBondContact O-CB 3.26Å; L87-N90 PolarHBondContact O-N 3Å; E88-N90 PolarHBondContact O-N 3.05Å; E88-N90 PolarHBondContact O-ND2 3.01Å; N90-L92 HydrophobicContact CB-CD2 4.19Å; N90-L92 PolarHBondContact O-N 3.1Å; N90-L92 VanDerWaalsContact O-N 3.13Å
91V98.6Very high98.5Very high49 Ų4948.2 Ų48.230%0.29727%0.27SS..EExtended strand (participates in β ladder)trans-73.4105.9171.6-177.20000108.6K84 K97K84-V91 HydrophobicContact CG-CG1 4.47Å; V91-K97 HydrophobicContact CB-CD 4.34Å; V91-K97 HydrophobicContact CG1-CD 3.95Å; V91-K97 WeakPolarHBondContact O-CD 3.39Å; V91-K97 WeakPolarHBondContact O-CE 3.27Å; V91-K97 PolarHBondContact O-NZ 3.16Å
92L98.8Very high98.5Very high17 Ų1748.8 Ų48.89%0.08926%0.263CS..EExtended strand (participates in β ladder)trans-78.5-47.6-179.2-54.5-171.2000110.6I85 L87 N90 K97 N99 A107 V116 T119I85-L92 PolarHBondContact O-N 3.42Å; L87-L92 HydrophobicContact CB-CD1 3.87Å; L87-L92 HydrophobicContact CB-CG 4.26Å; L87-L92 HydrophobicContact CD2-CD1 4.35Å; N90-L92 HydrophobicContact CB-CD2 4.19Å; N90-L92 PolarHBondContact O-N 3.1Å; N90-L92 VanDerWaalsContact O-N 3.13Å; L92-K97 WeakPolarHBondContact O-CE 3.3Å; L92-N99 PolarHBondContact O-ND2 3.11Å; L92-A107 HydrophobicContact CB-CB 4.18Å; L92-A107 HydrophobicContact CD1-CB 3.8Å; L92-V116 HydrophobicContact CD1-CG2 4.4Å; L92-V116 HydrophobicContact CD2-CB 3.99Å; L92-V116 HydrophobicContact CD2-CG2 4.16Å; L92-T119 HydrophobicContact CB-CG2 4.28Å
93M98.8Very high98.5Very high1 Ų148.1 Ų48.11%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-133.2135.8-179.1-59.2-174.480.500110.8K84 I85 N99 V100 N105 V106 A107 T119 K120K84-M93 CarbonylContact C-O 3.57Å; K84-M93 WeakPolarHBondContact CA-O 3.45Å; I85-M93 HydrophobicContact CB-CB 4.2Å; I85-M93 HydrophobicContact CD1-CB 4.45Å; I85-M93 HydrophobicContact CD1-SD 3.99Å; I85-M93 HydrophobicContact CG1-CB 4.36Å; I85-M93 PolarHBondContact N-O 3.07Å; I85-M93 PolarHBondContact O-N 3.1Å; M93-N99 WeakPolarHBondContact CA-OD1 3.4Å; M93-N99 WeakPolarHBondContact CE-O 3.36Å; M93-V100 HydrophobicContact CB-CG1 3.86Å; M93-V100 HydrophobicContact CE-CG1 4.33Å; M93-N105 HydrophobicContact CE-CB 3.77Å; M93-N105 HydrophobicContact SD-CB 4.16Å; M93-V106 VanDerWaalsContact SD-C 3.57Å; M93-V106 VanDerWaalsContact SD-O 3.4Å; M93-A107 HydrophobicContact CG-CB 4.37Å; M93-A107 HydrophobicContact SD-CB 4.16Å; M93-T119 HydrophobicContact CG-CG2 3.87Å; M93-T119 HydrophobicContact SD-CG2 4.42Å; M93-K120 WeakPolarHBondContact CE-O 3.32Å
94S98.7Very high98.5Very high5 Ų548.1 Ų48.14%0.03526%0.256CS..  trans-166.9160.2173.662.10000112.3P83 V96 K97 N98 N99P83-S94 WeakPolarHBondContact O-CA 3.21Å; S94-V96 VanDerWaalsContact C-N 3.29Å; S94-V96 PolarHBondContact O-N 3.45Å; S94-V96 WeakPolarHBondContact OG-CG2 3.18Å; S94-K97 PolarHBondContact O-N 3.38Å; S94-K97 VanDerWaalsContact O-N 3.11Å; S94-K97 WeakPolarHBondContact OG-CB 3.41Å; S94-K97 VanDerWaalsContact OG-CG 3.32Å; S94-K97 WeakPolarHBondContact OG-CG 3.17Å; S94-K97 PolarHBondContact OG-N 3.28Å; S94-N98 PolarHBondContact O-N 3Å; S94-N99 PolarHBondContact N-OD1 3.37Å; S94-N99 PolarHBondContact O-OD1 3.45Å
95G97.9Very high98.5Very high35 Ų3542.8 Ų42.836%0.36123%0.233SC..G310 helixtrans-53-43.9169.800000113.1K97 N98G95-K97 VanDerWaalsContact C-N 3.27Å; G95-K97 PolarHBondContact O-N 2.95Å; G95-N98 PolarHBondContact O-N 3.41Å; G95-N98 PolarHBondContact O-OD1 3.22Å
96V97.8Very high98.5Very high132 Ų13242.8 Ų42.880%0.823%0.233SC*.G310 helixtrans-66.7-24.7-180-61.50000114S94 N98S94-V96 VanDerWaalsContact C-N 3.29Å; S94-V96 PolarHBondContact O-N 3.45Å; S94-V96 WeakPolarHBondContact OG-CG2 3.18Å; V96-N98 VanDerWaalsContact C-N 3.28Å
97K98.1Very high98.5Very high110 Ų11042.5 Ų42.548%0.47823%0.231SC..G310 helixtrans-83.7-4.1174.6-74177.77685.10112.7V91 L92 S94 G95 N99V91-K97 HydrophobicContact CB-CD 4.34Å; V91-K97 HydrophobicContact CG1-CD 3.95Å; V91-K97 WeakPolarHBondContact O-CD 3.39Å; V91-K97 WeakPolarHBondContact O-CE 3.27Å; V91-K97 PolarHBondContact O-NZ 3.16Å; L92-K97 WeakPolarHBondContact O-CE 3.3Å; S94-K97 PolarHBondContact O-N 3.38Å; S94-K97 VanDerWaalsContact O-N 3.11Å; S94-K97 WeakPolarHBondContact OG-CB 3.41Å; S94-K97 VanDerWaalsContact OG-CG 3.32Å; S94-K97 WeakPolarHBondContact OG-CG 3.17Å; S94-K97 PolarHBondContact OG-N 3.28Å; G95-K97 VanDerWaalsContact C-N 3.27Å; G95-K97 PolarHBondContact O-N 2.95Å; K97-N99 VanDerWaalsContact CB-OD1 3.31Å; K97-N99 WeakPolarHBondContact CB-OD1 3.39Å; K97-N99 PolarHBondContact O-N 3.28Å; K97-N99 VanDerWaalsContact O-N 3.16Å
98N98.3Very high98.5Very high149 Ų14943 Ų4380%0.79723%0.234SC*.THydrogen-bonded Turntrans52.133.9-177.5-58.1-51.9000113.3S94 G95 V96S94-N98 PolarHBondContact O-N 3Å; G95-N98 PolarHBondContact O-N 3.41Å; G95-N98 PolarHBondContact O-OD1 3.22Å; V96-N98 VanDerWaalsContact C-N 3.28Å
99N98.7Very high98.6Very high34 Ų3441 Ų4118%0.18222%0.224CC..  trans-124.624.5-178.174.2-25.4000113.1L92 M93 S94 K97L92-N99 PolarHBondContact O-ND2 3.11Å; M93-N99 WeakPolarHBondContact CA-OD1 3.4Å; M93-N99 WeakPolarHBondContact CE-O 3.36Å; S94-N99 PolarHBondContact N-OD1 3.37Å; S94-N99 PolarHBondContact O-OD1 3.45Å; K97-N99 VanDerWaalsContact CB-OD1 3.31Å; K97-N99 WeakPolarHBondContact CB-OD1 3.39Å; K97-N99 PolarHBondContact O-N 3.28Å; K97-N99 VanDerWaalsContact O-N 3.16Å
100V98.8Very high98.6Very high23 Ų2339.6 Ų39.614%0.13922%0.217CC..  trans-121.9149175.7-64.90000110P83 M93 N105P83-V100 HydrophobicContact CG-CB 4.26Å; P83-V100 HydrophobicContact CG-CG1 4.12Å; M93-V100 HydrophobicContact CB-CG1 3.86Å; M93-V100 HydrophobicContact CE-CG1 4.33Å; V100-N105 WeakPolarHBondContact CA-OD1 3.49Å; V100-N105 WeakPolarHBondContact CB-OD1 3.41Å
101G98.8Very high98.6Very high10 Ų1035 Ų3510%0.10319%0.193CC..  trans-150.9168.1-179.200000112.1N105 Y150G101-N105 PolarHBondContact N-OD1 3.24Å; G101-N105 PolarHBondContact O-ND2 2.85Å; G101-N105 PolarHBondContact O-OD1 3.13Å; G101-Y150 VanDerWaalsContact C-CD1 3.44Å; G101-Y150 WeakPolarHBondContact O-CB 3.23Å; G101-Y150 WeakPolarHBondContact O-CD1 3.03Å
102R98.8Very high98.5Very high99 Ų9936.9 Ų36.937%0.37420%0.197SC..SBendtrans-52.3143.8175.8174.317271.1-139.6-2.9110.5D123 W125 D151R102-D123 IonicContact CZ-OD1 3.77Å; R102-D123 IonicContact CZ-OD2 2.63Å; R102-D123 IonicContact NE-OD1 2.78Å; R102-D123 PolarHBondContact NE-OD1 2.91Å; R102-D123 IonicContact NE-OD2 2.89Å; R102-D123 PolarHBondContact NE-OD2 2.65Å; R102-D123 IonicContact NH2-OD1 2.65Å; R102-D123 IonicContact NH2-OD2 2.64Å; R102-D123 PolarHBondContact NH2-OD2 3.38Å; R102-D123 WeakPolarHBondContact O-CA 3.26Å; R102-W125 HydrophobicContact CG-CB 4.49Å; R102-D151 WeakPolarHBondContact CD-OD2 3.47Å; R102-D151 HydrophobicContact CG-CB 4Å
103G98.8Very high98.4Very high0 Ų039.5 Ų39.50%021%0.214CC..EExtended strand (participates in β ladder)trans105.6-146.3-18000000113.6F122 T149 Y150 D152G103-F122 VanDerWaalsContact CA-O 3.23Å; G103-F122 WeakPolarHBondContact CA-O 3.33Å; G103-T149 CarbonylContact O-C 3.51Å; G103-T149 WeakPolarHBondContact O-CA 3.45Å; G103-Y150 PolarHBondContact N-O 3.33Å; G103-Y150 PolarHBondContact O-N 2.88Å; G103-D152 VanDerWaalsContact CA-O 3.23Å; G103-D152 WeakPolarHBondContact CA-O 3.4Å
104I98.9Very high98.3Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-96.8121.4178.1-62.3172.9000108.5V106 Y121 F122 M124 F132 M147 G153 L157 W182I104-V106 HydrophobicContact CG2-CG2 3.8Å; I104-Y121 CarbonylContact O-C 3.57Å; I104-Y121 VanDerWaalsContact O-CA 3.27Å; I104-Y121 WeakPolarHBondContact O-CA 3.41Å; I104-F122 PolarHBondContact N-O 3.05Å; I104-F122 PolarHBondContact O-N 3.29Å; I104-M124 HydrophobicContact CD1-CG 4Å; I104-M124 HydrophobicContact CG1-CG 3.96Å; I104-F132 HydrophobicContact CB-CZ 4.39Å; I104-F132 HydrophobicContact CD1-CE1 3.81Å; I104-F132 HydrophobicContact CD1-CZ 4.15Å; I104-F132 HydrophobicContact CG2-CZ 4.13Å; I104-M147 HydrophobicContact CG2-CB 4.13Å; I104-M147 HydrophobicContact CG2-CG 4.46Å; I104-M147 HydrophobicContact CG2-SD 4.16Å; I104-G153 WeakPolarHBondContact CD1-O 3.39Å; I104-L157 HydrophobicContact CD1-CD1 4.26Å; I104-L157 HydrophobicContact CD1-CD2 4.05Å; I104-W182 HydrophobicContact CG2-CZ3 4.42Å
105N98.9Very high98.3Very high0 Ų045.9 Ų45.90%025%0.247CC..EExtended strand (participates in β ladder)trans-98.3124.9176.7-67.1-104.7000108.1P83 M93 V100 G101 Y121 M147 G148P83-N105 HydrophobicContact CG-CB 3.93Å; M93-N105 HydrophobicContact CE-CB 3.77Å; M93-N105 HydrophobicContact SD-CB 4.16Å; V100-N105 WeakPolarHBondContact CA-OD1 3.49Å; V100-N105 WeakPolarHBondContact CB-OD1 3.41Å; G101-N105 PolarHBondContact N-OD1 3.24Å; G101-N105 PolarHBondContact O-ND2 2.85Å; G101-N105 PolarHBondContact O-OD1 3.13Å; N105-Y121 WeakPolarHBondContact OD1-CB 3.37Å; N105-M147 CarbonylContact O-C 3.54Å; N105-M147 VanDerWaalsContact O-CA 3.26Å; N105-M147 WeakPolarHBondContact O-CA 3.08Å; N105-G148 WeakPolarHBondContact CB-O 3.4Å; N105-G148 PolarHBondContact N-O 2.83Å; N105-G148 PolarHBondContact O-N 3.06Å
106V98.9Very high98.3Very high0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-124.3128.5-172.3-1700000111M93 I104 L108 T119 K120 F122 F132 F135 V145 L146 M147M93-V106 VanDerWaalsContact SD-C 3.57Å; M93-V106 VanDerWaalsContact SD-O 3.4Å; I104-V106 HydrophobicContact CG2-CG2 3.8Å; V106-L108 HydrophobicContact CG1-CD2 3.96Å; V106-T119 WeakPolarHBondContact O-CA 3.49Å; V106-K120 PolarHBondContact N-O 2.99Å; V106-K120 PolarHBondContact O-N 3.21Å; V106-K120 VanDerWaalsContact O-O 3.14Å; V106-F122 HydrophobicContact CG2-CD2 4.47Å; V106-F122 HydrophobicContact CG2-CE2 4.49Å; V106-F132 HydrophobicContact CG2-CE2 4.05Å; V106-F135 HydrophobicContact CB-CE1 4.07Å; V106-F135 HydrophobicContact CB-CZ 4.39Å; V106-F135 HydrophobicContact CG1-CE1 3.8Å; V106-F135 HydrophobicContact CG1-CZ 4.17Å; V106-F135 HydrophobicContact CG2-CE1 4.45Å; V106-V145 HydrophobicContact CG1-CG1 3.87Å; V106-L146 CarbonylContact C-O 3.6Å; V106-L146 VanDerWaalsContact CA-O 3.3Å; V106-L146 WeakPolarHBondContact CA-O 3.35Å; V106-M147 HydrophobicContact CG1-CE 4.33Å; V106-M147 HydrophobicContact CG1-CG 4.1Å; V106-M147 HydrophobicContact CG2-CE 4.48Å; V106-M147 HydrophobicContact CG2-CG 3.99Å; V106-M147 HydrophobicContact CG2-SD 4.25Å
107A98.9Very high98.4Very high0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-114.6131.1167.400000109.9I85 L92 M93 T119 L146I85-A107 HydrophobicContact CD1-CB 4.41Å; I85-A107 HydrophobicContact CG2-CB 4.19Å; L92-A107 HydrophobicContact CB-CB 4.18Å; L92-A107 HydrophobicContact CD1-CB 3.8Å; M93-A107 HydrophobicContact CG-CB 4.37Å; M93-A107 HydrophobicContact SD-CB 4.16Å; A107-T119 HydrophobicContact CB-CG2 4.1Å; A107-L146 HydrophobicContact CB-CB 4.46Å; A107-L146 HydrophobicContact CB-CD1 4.45Å; A107-L146 PolarHBondContact N-O 2.86Å; A107-L146 PolarHBondContact O-N 2.88Å
108L98.9Very high98.4Very high14 Ų1443.6 Ų43.67%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-106.3136.6175.1-57.3-175.3000109.3V106 L117 D118 F135 I139 T143 I144 V145V106-L108 HydrophobicContact CG1-CD2 3.96Å; L108-L117 HydrophobicContact CB-CB 4.11Å; L108-L117 PolarHBondContact O-N 2.05Å; L108-D118 HydrophobicContact CD1-CB 4.38Å; L108-D118 PolarHBondContact N-O 2.89Å; L108-D118 PolarHBondContact O-N 3.46Å; L108-F135 HydrophobicContact CD1-CE1 4.27Å; L108-F135 HydrophobicContact CD1-CE2 3.98Å; L108-F135 HydrophobicContact CD1-CZ 3.53Å; L108-F135 HydrophobicContact CD2-CE1 4.46Å; L108-F135 HydrophobicContact CD2-CZ 4.27Å; L108-F135 HydrophobicContact CG-CE1 4.49Å; L108-F135 HydrophobicContact CG-CZ 3.82Å; L108-I139 HydrophobicContact CD1-CG1 4.06Å; L108-I139 HydrophobicContact CD2-CD1 3.88Å; L108-I139 HydrophobicContact CD2-CG1 4.25Å; L108-T143 HydrophobicContact CB-CG2 3.85Å; L108-T143 HydrophobicContact CD2-CG2 4.07Å; L108-T143 HydrophobicContact CG-CG2 4.38Å; L108-I144 WeakPolarHBondContact CA-O 3.35Å; L108-V145 HydrophobicContact CD2-CB 4.2Å; L108-V145 HydrophobicContact CD2-CG1 3.79Å; L108-V145 HydrophobicContact CD2-CG2 3.86Å
109A98.8Very high98.4Very high0 Ų038.3 Ų38.30%020%0.202CC..EExtended strand (participates in β ladder)trans-137.6150.7174.400000111.6L87 G111 E115 T143 I144L87-A109 HydrophobicContact CD2-CB 3.41Å; L87-A109 VanDerWaalsContact CD2-CB 3.41Å; A109-G111 PolarHBondContact O-N 3.08Å; A109-E115 CarbonylContact C-O 3.49Å; A109-E115 WeakPolarHBondContact CA-O 3.05Å; A109-E115 WeakPolarHBondContact CB-O 3.35Å; A109-T143 WeakPolarHBondContact O-CA 3.45Å; A109-I144 HydrophobicContact CB-CB 4.32Å; A109-I144 PolarHBondContact N-O 2.8Å; A109-I144 PolarHBondContact O-N 3.07Å
110N98.3Very high98.4Very high52 Ų5241.1 Ų41.128%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-67.8121.8176.1-176-42.5000109.8K112 T113 G114 E115 L117N110-K112 PolarHBondContact O-N 3.06Å; N110-K112 VanDerWaalsContact O-N 3.16Å; N110-K112 WeakPolarHBondContact OD1-CB 3.4Å; N110-K112 PolarHBondContact OD1-N 3.01Å; N110-T113 WeakPolarHBondContact CB-OG1 3.37Å; N110-T113 PolarHBondContact O-N 2.94Å; N110-T113 PolarHBondContact OD1-N 2.86Å; N110-G114 WeakPolarHBondContact O-CA 3.36Å; N110-G114 PolarHBondContact O-N 2.98Å; N110-E115 PolarHBondContact N-O 3.03Å; N110-L117 HydrophobicContact CB-CD1 4.4Å; N110-L117 HydrophobicContact CB-CD2 4.26Å; N110-L117 HydrophobicContact CB-CG 4.37Å
111G97.6Very high98.4Very high4 Ų445.8 Ų45.84%0.04123%0.229CC..THydrogen-bonded Turntrans-69.7-8.7-177.400000115.8A109 G142 K225A109-G111 PolarHBondContact O-N 3.08Å; G111-G142 WeakPolarHBondContact CA-O 3.38Å; G111-G142 PolarHBondContact N-O 2.88Å; G111-K225 WeakPolarHBondContact O-CB 3.26Å; G111-K225 PolarHBondContact O-N 3.24Å
112K96.9Very high98.4Very high89 Ų8946.7 Ų46.739%0.38723%0.23SC..THydrogen-bonded Turntrans-95.8-42173.3-62.9-171.3-179.8-174.80112.4N110 Q224 K225 D227N110-K112 PolarHBondContact O-N 3.06Å; N110-K112 VanDerWaalsContact O-N 3.16Å; N110-K112 WeakPolarHBondContact OD1-CB 3.4Å; N110-K112 PolarHBondContact OD1-N 3.01Å; K112-Q224 PolarHBondContact O-NE2 2.76Å; K112-K225 HydrophobicContact CG-CB 4.27Å; K112-D227 WeakPolarHBondContact CE-OD1 3.45Å; K112-D227 IonicContact NZ-OD1 3.73Å; K112-D227 PolarHBondContact NZ-OD1 3.1Å
113T97.2Very high98.4Very high72 Ų7244 Ų4444%0.44222%0.223SC..THydrogen-bonded Turntrans-102.3-21.1-173.763.40000113.8N110 E115N110-T113 WeakPolarHBondContact CB-OG1 3.37Å; N110-T113 PolarHBondContact O-N 2.94Å; N110-T113 PolarHBondContact OD1-N 2.86Å; T113-E115 PolarHBondContact O-N 3.48Å; T113-E115 WeakPolarHBondContact OG1-CB 3.46Å; T113-E115 WeakPolarHBondContact OG1-CG 3.02Å; T113-E115 PolarHBondContact OG1-N 2.87Å; T113-E115 PolarHBondContact OG1-OE2 2.87Å; T113-E115 VanDerWaalsContact OG1-OE2 3.11Å
114G97.1Very high98.4Very high12 Ų1244 Ų4412%0.12422%0.223CC..  trans76.22.8-171.600000113.6F69 N110F69-G114 VanDerWaalsContact CZ-N 3.33Å; N110-G114 WeakPolarHBondContact O-CA 3.36Å; N110-G114 PolarHBondContact O-N 2.98Å
115E97.9Very high98.4Very high128 Ų12849.8 Ų49.860%0.59825%0.245SC*.  trans-71138.5179.5-68172.4149.700111.3A109 N110 T113 L117A109-E115 CarbonylContact C-O 3.49Å; A109-E115 WeakPolarHBondContact CA-O 3.05Å; A109-E115 WeakPolarHBondContact CB-O 3.35Å; N110-E115 PolarHBondContact N-O 3.03Å; T113-E115 PolarHBondContact O-N 3.48Å; T113-E115 WeakPolarHBondContact OG1-CB 3.46Å; T113-E115 WeakPolarHBondContact OG1-CG 3.02Å; T113-E115 PolarHBondContact OG1-N 2.87Å; T113-E115 PolarHBondContact OG1-OE2 2.87Å; T113-E115 VanDerWaalsContact OG1-OE2 3.11Å; E115-L117 PolarHBondContact O-N 2.76Å
116V98.3Very high98.3Very high79 Ų7952.4 Ų52.448%0.47927%0.272SS..EExtended strand (participates in β ladder)trans-66.4132.1177.264.30000110.4L92 T119L92-V116 HydrophobicContact CD1-CG2 4.4Å; L92-V116 HydrophobicContact CD2-CB 3.99Å; L92-V116 HydrophobicContact CD2-CG2 4.16Å; V116-T119 HydrophobicContact CG2-CG2 3.97Å
117L98.5Very high98.2Very high96 Ų9653.5 Ų53.550%0.50328%0.283SS..EExtended strand (participates in β ladder)trans-100.2-47.5177.3-63.3176.8000111L108 N110 E115 T143L108-L117 HydrophobicContact CB-CB 4.11Å; L108-L117 PolarHBondContact O-N 2.05Å; N110-L117 HydrophobicContact CB-CD1 4.4Å; N110-L117 HydrophobicContact CB-CD2 4.26Å; N110-L117 HydrophobicContact CB-CG 4.37Å; E115-L117 PolarHBondContact O-N 2.76Å; L117-T143 HydrophobicContact CD1-CG2 4Å
118D98.6Very high98.1Very high54 Ų5458.8 Ų58.829%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-156.9157.1176.8-160.811.4000111.6L108 K120L108-D118 HydrophobicContact CD1-CB 4.38Å; L108-D118 PolarHBondContact N-O 2.89Å; L108-D118 PolarHBondContact O-N 3.46Å; D118-K120 IonicContact OD1-NZ 2.99Å; D118-K120 PolarHBondContact OD1-NZ 3.13Å; D118-K120 WeakPolarHBondContact OD2-CG 3.37Å; D118-K120 IonicContact OD2-NZ 2.58Å; D118-K120 PolarHBondContact OD2-NZ 2.98Å
119T98.8Very high98.1Very high38 Ų3858.9 Ų58.923%0.23331%0.312CS..EExtended strand (participates in β ladder)trans-135.2127.4169.161.70000109.6L92 M93 V106 A107 V116L92-T119 HydrophobicContact CB-CG2 4.28Å; M93-T119 HydrophobicContact CG-CG2 3.87Å; M93-T119 HydrophobicContact SD-CG2 4.42Å; V106-T119 WeakPolarHBondContact O-CA 3.49Å; A107-T119 HydrophobicContact CB-CG2 4.1Å; V116-T119 HydrophobicContact CG2-CG2 3.97Å
120K98.8Very high98.1Very high93 Ų9360.8 Ų60.840%0.40433%0.329SS..EExtended strand (participates in β ladder)trans-145.2161.5179.9-68.5-65179.7-630110.6M93 V106 D118 F122 F135M93-K120 WeakPolarHBondContact CE-O 3.32Å; V106-K120 PolarHBondContact N-O 2.99Å; V106-K120 PolarHBondContact O-N 3.21Å; V106-K120 VanDerWaalsContact O-O 3.14Å; D118-K120 IonicContact OD1-NZ 2.99Å; D118-K120 PolarHBondContact OD1-NZ 3.13Å; D118-K120 WeakPolarHBondContact OD2-CG 3.37Å; D118-K120 IonicContact OD2-NZ 2.58Å; D118-K120 PolarHBondContact OD2-NZ 2.98Å; K120-F122 HydrophobicContact CB-CE2 3.78Å; K120-F122 HydrophobicContact CB-CZ 3.91Å; K120-F135 HydrophobicContact CB-CE2 4.28Å; K120-F135 HydrophobicContact CB-CZ 4.5Å; K120-F135 HydrophobicContact CG-CD2 4.44Å; K120-F135 HydrophobicContact CG-CE2 4.01Å
121Y98.8Very high98.1Very high122 Ų12261.5 Ų61.548%0.47834%0.336SS..EExtended strand (participates in β ladder)trans-132.5151.1167.761.6-96.6000109.7I104 N105I104-Y121 CarbonylContact O-C 3.57Å; I104-Y121 VanDerWaalsContact O-CA 3.27Å; I104-Y121 WeakPolarHBondContact O-CA 3.41Å; N105-Y121 WeakPolarHBondContact OD1-CB 3.37Å
122F98.9Very high98.2Very high28 Ų2861.3 Ų61.312%0.12333%0.334CS..EExtended strand (participates in β ladder)trans-131118.6-176.1-59-88.4000109.5G103 I104 V106 K120 M124 F132 F135G103-F122 VanDerWaalsContact CA-O 3.23Å; G103-F122 WeakPolarHBondContact CA-O 3.33Å; I104-F122 PolarHBondContact N-O 3.05Å; I104-F122 PolarHBondContact O-N 3.29Å; V106-F122 HydrophobicContact CG2-CD2 4.47Å; V106-F122 HydrophobicContact CG2-CE2 4.49Å; K120-F122 HydrophobicContact CB-CE2 3.78Å; K120-F122 HydrophobicContact CB-CZ 3.91Å; F122-M124 HydrophobicContact CB-CE 3.75Å; F122-M124 PolarHBondContact O-N 2.91Å; F122-M124 VanDerWaalsContact O-N 3.08Å; F122-F132 HydrophobicContact CB-CB 3.91Å; F122-F132 HydrophobicContact CB-CD1 4.49Å; F122-F132 HydrophobicContact CB-CD2 4.16Å; F122-F132 HydrophobicContact CB-CG 3.95Å; F122-F132 HydrophobicContact CD1-CB 3.56Å; F122-F132 HydrophobicContact CD1-CD2 4.06Å; F122-F132 HydrophobicContact CD1-CG 4.13Å; F122-F132 HydrophobicContact CD2-CB 4.27Å; F122-F132 AromaticContact CD2-CD2 3.23Å; F122-F132 HydrophobicContact CD2-CD2 3.23Å; F122-F132 AromaticContact CD2-CE2 3.72Å; F122-F132 HydrophobicContact CD2-CE2 3.72Å; F122-F132 AromaticContact CD2-CG 3.91Å; F122-F132 HydrophobicContact CD2-CG 3.91Å; F122-F132 HydrophobicContact CE1-CB 4.13Å; F122-F132 HydrophobicContact CE1-CD2 4.29Å; F122-F132 AromaticContact CE2-CD2 3.52Å; F122-F132 HydrophobicContact CE2-CD2 3.52Å; F122-F132 HydrophobicContact CE2-CE2 4.01Å; F122-F132 HydrophobicContact CE2-CG 4.47Å; F122-F132 HydrophobicContact CG-CB 3.65Å; F122-F132 AromaticContact CG-CD2 3.54Å; F122-F132 HydrophobicContact CG-CD2 3.54Å; F122-F132 HydrophobicContact CG-CE2 4.38Å; F122-F132 AromaticContact CG-CG 3.72Å; F122-F132 HydrophobicContact CG-CG 3.72Å; F122-F132 HydrophobicContact CZ-CD2 4.05Å; F122-F135 HydrophobicContact CE1-CB 4.07Å; F122-F135 HydrophobicContact CE1-CG 4.43Å; F122-F135 HydrophobicContact CE2-CB 4.29Å; F122-F135 AromaticContact CE2-CD1 3.67Å; F122-F135 HydrophobicContact CE2-CD1 3.67Å; F122-F135 HydrophobicContact CE2-CD2 4.39Å; F122-F135 HydrophobicContact CE2-CE1 4.02Å; F122-F135 AromaticContact CE2-CG 3.87Å; F122-F135 HydrophobicContact CE2-CG 3.87Å; F122-F135 HydrophobicContact CE2-CZ 4.5Å; F122-F135 HydrophobicContact CZ-CB 3.49Å; F122-F135 VanDerWaalsContact CZ-CB 3.49Å; F122-F135 AromaticContact CZ-CD1 3.72Å; F122-F135 HydrophobicContact CZ-CD1 3.72Å; F122-F135 AromaticContact CZ-CD2 3.84Å; F122-F135 HydrophobicContact CZ-CD2 3.84Å; F122-F135 HydrophobicContact CZ-CE1 4.38Å; F122-F135 HydrophobicContact CZ-CE2 4.47Å; F122-F135 AromaticContact CZ-CG 3.4Å; F122-F135 HydrophobicContact CZ-CG 3.4Å; F122-F135 VanDerWaalsContact CZ-CG 3.4Å
123D98.8Very high98.3Very high42 Ų4257.6 Ų57.623%0.22532%0.318CS..  trans-70101.3-177.7-178.65.1000111.4R102 W125 G126 G127R102-D123 IonicContact CZ-OD1 3.77Å; R102-D123 IonicContact CZ-OD2 2.63Å; R102-D123 IonicContact NE-OD1 2.78Å; R102-D123 PolarHBondContact NE-OD1 2.91Å; R102-D123 IonicContact NE-OD2 2.89Å; R102-D123 PolarHBondContact NE-OD2 2.65Å; R102-D123 IonicContact NH2-OD1 2.65Å; R102-D123 IonicContact NH2-OD2 2.64Å; R102-D123 PolarHBondContact NH2-OD2 3.38Å; R102-D123 WeakPolarHBondContact O-CA 3.26Å; D123-W125 VanDerWaalsContact C-N 3.27Å; D123-W125 PolarHBondContact O-N 2.84Å; D123-W125 PolarHBondContact OD1-N 2.99Å; D123-G126 PolarHBondContact OD1-N 2.81Å; D123-G126 PolarHBondContact OD2-N 2.04Å; D123-G127 VanDerWaalsContact O-CA 3.22Å; D123-G127 WeakPolarHBondContact O-CA 3.41Å; D123-G127 PolarHBondContact O-N 3.5Å; D123-G127 VanDerWaalsContact O-N 3.08Å
124M98.7Very high98.4Very high0 Ų060.7 Ų60.70%033%0.327CS..THydrogen-bonded Turntrans-86.810-179.8-63.4-63.592.300113.8I104 F122 V129 F132 G153 T155 K156 L157I104-M124 HydrophobicContact CD1-CG 4Å; I104-M124 HydrophobicContact CG1-CG 3.96Å; F122-M124 HydrophobicContact CB-CE 3.75Å; F122-M124 PolarHBondContact O-N 2.91Å; F122-M124 VanDerWaalsContact O-N 3.08Å; M124-V129 HydrophobicContact SD-CG2 4.41Å; M124-F132 HydrophobicContact CE-CB 4.31Å; M124-F132 HydrophobicContact CE-CD1 4.13Å; M124-F132 HydrophobicContact SD-CD1 3.89Å; M124-F132 HydrophobicContact SD-CE1 4.36Å; M124-G153 WeakPolarHBondContact CB-O 3.02Å; M124-G153 WeakPolarHBondContact CG-O 3.03Å; M124-T155 CarbonylContact O-C 3.58Å; M124-T155 WeakPolarHBondContact O-CB 3.35Å; M124-T155 PolarHBondContact O-N 2.96Å; M124-K156 WeakPolarHBondContact O-CB 3.36Å; M124-K156 VanDerWaalsContact O-CG 3.29Å; M124-K156 WeakPolarHBondContact O-CG 3.46Å; M124-K156 PolarHBondContact O-N 3.35Å; M124-L157 HydrophobicContact CG-CD2 4.42Å; M124-L157 HydrophobicContact SD-CD2 3.66Å; M124-L157 HydrophobicContact SD-CG 4.12Å
125W98.1Very high98.4Very high122 Ų12261.5 Ų61.546%0.46233%0.328SS..THydrogen-bonded Turntrans-107.8-57.2172.3174.7-102.6000111.6R102 D123 D152 T155 K156 F178R102-W125 HydrophobicContact CG-CB 4.49Å; D123-W125 VanDerWaalsContact C-N 3.27Å; D123-W125 PolarHBondContact O-N 2.84Å; D123-W125 PolarHBondContact OD1-N 2.99Å; W125-D152 HydrophobicContact CB-CB 4.31Å; W125-D152 HydrophobicContact CE3-CB 4.41Å; W125-T155 HydrophobicContact CE3-CG2 3.94Å; W125-T155 VanDerWaalsContact CE3-OG1 3.31Å; W125-T155 HydrophobicContact CZ3-CG2 3.99Å; W125-K156 WeakPolarHBondContact O-CG 3.42Å; W125-F178 HydrophobicContact CE3-CD2 4.14Å; W125-F178 AromaticContact CE3-CE2 3.71Å; W125-F178 HydrophobicContact CE3-CE2 3.71Å; W125-F178 AromaticContact CH2-CE2 3.86Å; W125-F178 HydrophobicContact CH2-CE2 3.86Å; W125-F178 HydrophobicContact CH2-CZ 4.37Å; W125-F178 AromaticContact CZ3-CD2 3.7Å; W125-F178 HydrophobicContact CZ3-CD2 3.7Å; W125-F178 AromaticContact CZ3-CE2 3.19Å; W125-F178 HydrophobicContact CZ3-CE2 3.19Å; W125-F178 HydrophobicContact CZ3-CZ 4.1Å
126G96.8Very high98.5Very high56 Ų5655.6 Ų55.658%0.57730%0.3SS*.THydrogen-bonded Turntrans-105.7-10.2-174.800000115.1D123D123-G126 PolarHBondContact OD1-N 2.81Å; D123-G126 PolarHBondContact OD2-N 2.04Å
127G97.4Very high98.5Very high22 Ų2257.3 Ų57.323%0.22730%0.301CS..SBendtrans-91.7172.7-174.900000114.6D123 K156D123-G127 VanDerWaalsContact O-CA 3.22Å; D123-G127 WeakPolarHBondContact O-CA 3.41Å; D123-G127 PolarHBondContact O-N 3.5Å; D123-G127 VanDerWaalsContact O-N 3.08Å; G127-K156 VanDerWaalsContact O-CE 3.26Å; G127-K156 WeakPolarHBondContact O-CE 3.46Å; G127-K156 WeakPolarHBondContact O-CG 3.24Å
128D97.8Very high98.5Very high111 Ų11155.8 Ų55.859%0.59430%0.303SS*.  trans-84.3141.7166.9-164.5-19.6000110A130D128-A130 PolarHBondContact OD1-N 3.3Å
129V98.5Very high98.5Very high16 Ų1653.6 Ų53.610%0.09729%0.291CS..SBendtrans-80.7-20.8177.871.70000112.3M124 F132 I133 K156 A161M124-V129 HydrophobicContact SD-CG2 4.41Å; V129-F132 WeakPolarHBondContact O-CB 3.33Å; V129-F132 PolarHBondContact O-N 3.49Å; V129-F132 VanDerWaalsContact O-N 3.08Å; V129-I133 HydrophobicContact CG1-CD1 4.1Å; V129-I133 HydrophobicContact CG2-CD1 4.1Å; V129-I133 HydrophobicContact CG2-CG1 4.24Å; V129-I133 PolarHBondContact O-N 3.33Å; V129-K156 WeakPolarHBondContact CB-O 3.37Å; V129-A161 HydrophobicContact CG2-CB 3.96Å
130A98.6Very high98.5Very high41 Ų4158.4 Ų58.434%0.33931%0.311SS..Hα-helixtrans-56.9-46.9-176.300000114D128 F132 I133 E134D128-A130 PolarHBondContact OD1-N 3.3Å; A130-F132 PolarHBondContact O-N 3.29Å; A130-I133 PolarHBondContact O-N 3.13Å; A130-I133 VanDerWaalsContact O-N 3.13Å; A130-E134 PolarHBondContact O-N 3.26Å
131P98.8Very high98.4Very high66 Ų6659.6 Ų59.643%0.42932%0.321SS..Hα-helixtrans-61.5-31.2176.6-23.735.1000113.3F135P131-F135 WeakPolarHBondContact O-CB 3.44Å; P131-F135 PolarHBondContact O-N 3.04Å
132F98.8Very high98.3Very high0 Ų054.6 Ų54.60%031%0.307CS..Hα-helixtrans-70.8-41.2176.5-176.1-147000111.5I104 V106 F122 M124 V129 A130 F135 L136 L157 I165I104-F132 HydrophobicContact CB-CZ 4.39Å; I104-F132 HydrophobicContact CD1-CE1 3.81Å; I104-F132 HydrophobicContact CD1-CZ 4.15Å; I104-F132 HydrophobicContact CG2-CZ 4.13Å; V106-F132 HydrophobicContact CG2-CE2 4.05Å; F122-F132 HydrophobicContact CB-CB 3.91Å; F122-F132 HydrophobicContact CB-CD1 4.49Å; F122-F132 HydrophobicContact CB-CD2 4.16Å; F122-F132 HydrophobicContact CB-CG 3.95Å; F122-F132 HydrophobicContact CD1-CB 3.56Å; F122-F132 HydrophobicContact CD1-CD2 4.06Å; F122-F132 HydrophobicContact CD1-CG 4.13Å; F122-F132 HydrophobicContact CD2-CB 4.27Å; F122-F132 AromaticContact CD2-CD2 3.23Å; F122-F132 HydrophobicContact CD2-CD2 3.23Å; F122-F132 AromaticContact CD2-CE2 3.72Å; F122-F132 HydrophobicContact CD2-CE2 3.72Å; F122-F132 AromaticContact CD2-CG 3.91Å; F122-F132 HydrophobicContact CD2-CG 3.91Å; F122-F132 HydrophobicContact CE1-CB 4.13Å; F122-F132 HydrophobicContact CE1-CD2 4.29Å; F122-F132 AromaticContact CE2-CD2 3.52Å; F122-F132 HydrophobicContact CE2-CD2 3.52Å; F122-F132 HydrophobicContact CE2-CE2 4.01Å; F122-F132 HydrophobicContact CE2-CG 4.47Å; F122-F132 HydrophobicContact CG-CB 3.65Å; F122-F132 AromaticContact CG-CD2 3.54Å; F122-F132 HydrophobicContact CG-CD2 3.54Å; F122-F132 HydrophobicContact CG-CE2 4.38Å; F122-F132 AromaticContact CG-CG 3.72Å; F122-F132 HydrophobicContact CG-CG 3.72Å; F122-F132 HydrophobicContact CZ-CD2 4.05Å; M124-F132 HydrophobicContact CE-CB 4.31Å; M124-F132 HydrophobicContact CE-CD1 4.13Å; M124-F132 HydrophobicContact SD-CD1 3.89Å; M124-F132 HydrophobicContact SD-CE1 4.36Å; V129-F132 WeakPolarHBondContact O-CB 3.33Å; V129-F132 PolarHBondContact O-N 3.49Å; V129-F132 VanDerWaalsContact O-N 3.08Å; A130-F132 PolarHBondContact O-N 3.29Å; F132-F135 HydrophobicContact CD2-CD1 4.34Å; F132-F135 HydrophobicContact CE2-CD1 4.44Å; F132-F135 WeakPolarHBondContact O-CB 3.42Å; F132-F135 PolarHBondContact O-N 3.41Å; F132-L136 HydrophobicContact CD1-CD1 4.24Å; F132-L136 HydrophobicContact CD2-CD1 4.11Å; F132-L136 HydrophobicContact CD2-CG 3.97Å; F132-L136 HydrophobicContact CE1-CD1 4Å; F132-L136 HydrophobicContact CE2-CD1 3.86Å; F132-L136 HydrophobicContact CE2-CD2 3.8Å; F132-L136 HydrophobicContact CE2-CG 3.71Å; F132-L136 HydrophobicContact CG-CD1 4.29Å; F132-L136 HydrophobicContact CZ-CD1 3.81Å; F132-L136 HydrophobicContact CZ-CD2 4.1Å; F132-L136 HydrophobicContact CZ-CG 4.13Å; F132-L136 VanDerWaalsContact O-CG 3.26Å; F132-L136 WeakPolarHBondContact O-CG 3.43Å; F132-L136 PolarHBondContact O-N 3.3Å; F132-L157 HydrophobicContact CD1-CD2 4.36Å; F132-L157 HydrophobicContact CE1-CD2 4.05Å; F132-I165 HydrophobicContact CE1-CD1 3.79Å; F132-I165 HydrophobicContact CZ-CD1 3.79Å; F132-I165 HydrophobicContact CZ-CG1 4.45Å
133I98.9Very high98.2Very high11 Ų1153.8 Ų53.86%0.05630%0.304CS..Hα-helixtrans-62.5-44.3175.7-69.3168000110.9V129 A130 F135 L136 K137 E160 A161 L164V129-I133 HydrophobicContact CG1-CD1 4.1Å; V129-I133 HydrophobicContact CG2-CD1 4.1Å; V129-I133 HydrophobicContact CG2-CG1 4.24Å; V129-I133 PolarHBondContact O-N 3.33Å; A130-I133 PolarHBondContact O-N 3.13Å; A130-I133 VanDerWaalsContact O-N 3.13Å; I133-F135 VanDerWaalsContact C-N 3.34Å; I133-F135 PolarHBondContact O-N 3.28Å; I133-L136 PolarHBondContact O-N 3.39Å; I133-K137 HydrophobicContact CG2-CD 4.05Å; I133-K137 WeakPolarHBondContact O-CG 3.28Å; I133-K137 PolarHBondContact O-N 3.02Å; I133-E160 HydrophobicContact CD1-CB 4.31Å; I133-E160 HydrophobicContact CD1-CG 4.38Å; I133-E160 HydrophobicContact CG2-CG 4.24Å; I133-A161 HydrophobicContact CD1-CB 4.4Å; I133-A161 HydrophobicContact CG1-CB 3.97Å; I133-L164 HydrophobicContact CG2-CD1 3.91Å
134E98.8Very high98.2Very high137 Ų13752.3 Ų52.364%0.6430%0.296SS*.Hα-helixtrans-59.7-45.7175.8-71.7178.3178.200111.5A130 L136 K137 A138A130-E134 PolarHBondContact O-N 3.26Å; E134-L136 PolarHBondContact O-N 2.82Å; E134-K137 PolarHBondContact O-N 2.88Å; E134-A138 PolarHBondContact O-N 2.97Å; E134-A138 VanDerWaalsContact O-N 3.12Å
135F98.8Very high98.3Very high30 Ų3052.3 Ų52.313%0.13230%0.296CS..Hα-helixtrans-58.1-47.4174.6174.5-93.8000112.2V106 L108 K120 F122 P131 F132 I133 K137 A138 I139V106-F135 HydrophobicContact CB-CE1 4.07Å; V106-F135 HydrophobicContact CB-CZ 4.39Å; V106-F135 HydrophobicContact CG1-CE1 3.8Å; V106-F135 HydrophobicContact CG1-CZ 4.17Å; V106-F135 HydrophobicContact CG2-CE1 4.45Å; L108-F135 HydrophobicContact CD1-CE1 4.27Å; L108-F135 HydrophobicContact CD1-CE2 3.98Å; L108-F135 HydrophobicContact CD1-CZ 3.53Å; L108-F135 HydrophobicContact CD2-CE1 4.46Å; L108-F135 HydrophobicContact CD2-CZ 4.27Å; L108-F135 HydrophobicContact CG-CE1 4.49Å; L108-F135 HydrophobicContact CG-CZ 3.82Å; K120-F135 HydrophobicContact CB-CE2 4.28Å; K120-F135 HydrophobicContact CB-CZ 4.5Å; K120-F135 HydrophobicContact CG-CD2 4.44Å; K120-F135 HydrophobicContact CG-CE2 4.01Å; F122-F135 HydrophobicContact CE1-CB 4.07Å; F122-F135 HydrophobicContact CE1-CG 4.43Å; F122-F135 HydrophobicContact CE2-CB 4.29Å; F122-F135 AromaticContact CE2-CD1 3.67Å; F122-F135 HydrophobicContact CE2-CD1 3.67Å; F122-F135 HydrophobicContact CE2-CD2 4.39Å; F122-F135 HydrophobicContact CE2-CE1 4.02Å; F122-F135 AromaticContact CE2-CG 3.87Å; F122-F135 HydrophobicContact CE2-CG 3.87Å; F122-F135 HydrophobicContact CE2-CZ 4.5Å; F122-F135 HydrophobicContact CZ-CB 3.49Å; F122-F135 VanDerWaalsContact CZ-CB 3.49Å; F122-F135 AromaticContact CZ-CD1 3.72Å; F122-F135 HydrophobicContact CZ-CD1 3.72Å; F122-F135 AromaticContact CZ-CD2 3.84Å; F122-F135 HydrophobicContact CZ-CD2 3.84Å; F122-F135 HydrophobicContact CZ-CE1 4.38Å; F122-F135 HydrophobicContact CZ-CE2 4.47Å; F122-F135 AromaticContact CZ-CG 3.4Å; F122-F135 HydrophobicContact CZ-CG 3.4Å; F122-F135 VanDerWaalsContact CZ-CG 3.4Å; P131-F135 WeakPolarHBondContact O-CB 3.44Å; P131-F135 PolarHBondContact O-N 3.04Å; F132-F135 HydrophobicContact CD2-CD1 4.34Å; F132-F135 HydrophobicContact CE2-CD1 4.44Å; F132-F135 WeakPolarHBondContact O-CB 3.42Å; F132-F135 PolarHBondContact O-N 3.41Å; I133-F135 VanDerWaalsContact C-N 3.34Å; I133-F135 PolarHBondContact O-N 3.28Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 2.93Å; F135-A138 PolarHBondContact O-N 3.49Å; F135-I139 HydrophobicContact CE1-CD1 4.35Å; F135-I139 WeakPolarHBondContact O-CG1 3.22Å
136L98.8Very high98.3Very high3 Ų346.5 Ų46.52%0.01627%0.274CS..Hα-helixtrans-62.2-38.3179.3-71.8169.3000112.7F132 I133 E134 A138 I139 M147 L164 I165 L168F132-L136 HydrophobicContact CD1-CD1 4.24Å; F132-L136 HydrophobicContact CD2-CD1 4.11Å; F132-L136 HydrophobicContact CD2-CG 3.97Å; F132-L136 HydrophobicContact CE1-CD1 4Å; F132-L136 HydrophobicContact CE2-CD1 3.86Å; F132-L136 HydrophobicContact CE2-CD2 3.8Å; F132-L136 HydrophobicContact CE2-CG 3.71Å; F132-L136 HydrophobicContact CG-CD1 4.29Å; F132-L136 HydrophobicContact CZ-CD1 3.81Å; F132-L136 HydrophobicContact CZ-CD2 4.1Å; F132-L136 HydrophobicContact CZ-CG 4.13Å; F132-L136 VanDerWaalsContact O-CG 3.26Å; F132-L136 WeakPolarHBondContact O-CG 3.43Å; F132-L136 PolarHBondContact O-N 3.3Å; I133-L136 PolarHBondContact O-N 3.39Å; E134-L136 PolarHBondContact O-N 2.82Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-I139 HydrophobicContact CD2-CD1 4.09Å; L136-I139 PolarHBondContact O-N 3.08Å; L136-M147 HydrophobicContact CD2-CE 3.73Å; L136-L164 HydrophobicContact CB-CB 4.25Å; L136-L164 HydrophobicContact CB-CD1 4.08Å; L136-L164 HydrophobicContact CD1-CB 4.07Å; L136-L164 HydrophobicContact CD1-CD1 4.37Å; L136-I165 HydrophobicContact CD1-CD1 4.26Å; L136-I165 HydrophobicContact CD1-CG1 3.86Å; L136-I165 HydrophobicContact CD2-CG1 4.07Å; L136-L168 HydrophobicContact CD2-CD1 4.27Å
137K98.6Very high98.4Very high116 Ų11643.8 Ų43.850%0.50425%0.247SC..Hα-helixtrans-68.1-31.6177.4-74.7173.2178.8171.20112.5I133 E134 F135 I139 E160 L164I133-K137 HydrophobicContact CG2-CD 4.05Å; I133-K137 WeakPolarHBondContact O-CG 3.28Å; I133-K137 PolarHBondContact O-N 3.02Å; E134-K137 PolarHBondContact O-N 2.88Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 2.93Å; K137-I139 VanDerWaalsContact C-N 3.3Å; K137-I139 PolarHBondContact O-N 3Å; K137-E160 WeakPolarHBondContact CE-OE1 3.05Å; K137-E160 IonicContact NZ-OE1 3.38Å; K137-E160 PolarHBondContact NZ-OE1 3.48Å; K137-L164 HydrophobicContact CG-CD1 4.04Å; K137-L164 HydrophobicContact CG-CD2 4.29Å
138A98.5Very high98.5Very high64 Ų6442.8 Ų42.853%0.52924%0.236SC..Hα-helixtrans-77.2-12.8-17900000114.1E134 F135 L136 Q140E134-A138 PolarHBondContact O-N 2.97Å; E134-A138 VanDerWaalsContact O-N 3.12Å; F135-A138 PolarHBondContact O-N 3.49Å; L136-A138 VanDerWaalsContact C-N 3.32Å; A138-Q140 PolarHBondContact O-N 3.03Å; A138-Q140 PolarHBondContact O-NE2 2.86Å
139I98.6Very high98.5Very high8 Ų837.5 Ų37.54%0.04121%0.208CC..PPolyproline II helixtrans-62.7123.1-179.8-57.5176.7000110.1L108 F135 L136 K137 T143 V145 L168 K188L108-I139 HydrophobicContact CD1-CG1 4.06Å; L108-I139 HydrophobicContact CD2-CD1 3.88Å; L108-I139 HydrophobicContact CD2-CG1 4.25Å; F135-I139 HydrophobicContact CE1-CD1 4.35Å; F135-I139 WeakPolarHBondContact O-CG1 3.22Å; L136-I139 HydrophobicContact CD2-CD1 4.09Å; L136-I139 PolarHBondContact O-N 3.08Å; K137-I139 VanDerWaalsContact C-N 3.3Å; K137-I139 PolarHBondContact O-N 3Å; I139-T143 HydrophobicContact CG2-CG2 3.88Å; I139-V145 HydrophobicContact CD1-CG1 4.42Å; I139-V145 HydrophobicContact CD1-CG2 4.2Å; I139-V145 HydrophobicContact CG2-CG2 4.09Å; I139-L168 HydrophobicContact CD1-CD1 4.45Å; I139-K188 HydrophobicContact CB-CD 4.44Å; I139-K188 HydrophobicContact CG2-CB 3.84Å; I139-K188 HydrophobicContact CG2-CD 4.35Å; I139-K188 HydrophobicContact CG2-CG 4.2Å; I139-K188 WeakPolarHBondContact O-CE 3.36Å
140Q97.9Very high98.5Very high139 Ų13938.4 Ų38.465%0.6521%0.21SC*.PPolyproline II helixtrans-80.2149.1-178.9-59.2-60.2-53.100112.3A138 T143 K188A138-Q140 PolarHBondContact O-N 3.03Å; A138-Q140 PolarHBondContact O-NE2 2.86Å; Q140-T143 WeakPolarHBondContact O-CB 3.32Å; Q140-T143 PolarHBondContact O-N 2.94Å; Q140-T143 PolarHBondContact O-OG1 3.26Å; Q140-K188 WeakPolarHBondContact O-CB 3.21Å
141D97.4Very high98.5Very high117 Ų11737.4 Ų37.463%0.62620%0.199SC*.THydrogen-bonded Turntrans-56.6137.2177.2-94.225.8000112.6T143 K188D141-T143 VanDerWaalsContact C-N 3.32Å; D141-K188 WeakPolarHBondContact OD1-CG 3.37Å
142G96.1Very high98.6Very high18 Ų1834.3 Ų34.319%0.18618%0.178CC..THydrogen-bonded Turntrans81.94.5-175.300000115.2G111 K188G111-G142 WeakPolarHBondContact CA-O 3.38Å; G111-G142 PolarHBondContact N-O 2.88Å; G142-K188 PolarHBondContact N-O 2.9Å
143T98.6Very high98.5Very high10 Ų1034.3 Ų34.36%0.06118%0.178CC..EExtended strand (participates in β ladder)trans-76.1131.2170.5-57.60000110.5L108 A109 L117 I139 Q140 D141 V145 G187 K188L108-T143 HydrophobicContact CB-CG2 3.85Å; L108-T143 HydrophobicContact CD2-CG2 4.07Å; L108-T143 HydrophobicContact CG-CG2 4.38Å; A109-T143 WeakPolarHBondContact O-CA 3.45Å; L117-T143 HydrophobicContact CD1-CG2 4Å; I139-T143 HydrophobicContact CG2-CG2 3.88Å; Q140-T143 WeakPolarHBondContact O-CB 3.32Å; Q140-T143 PolarHBondContact O-N 2.94Å; Q140-T143 PolarHBondContact O-OG1 3.26Å; D141-T143 VanDerWaalsContact C-N 3.32Å; T143-V145 HydrophobicContact CG2-CG2 4.36Å; T143-G187 VanDerWaalsContact O-CA 3.28Å; T143-G187 WeakPolarHBondContact O-CA 3.38Å; T143-K188 PolarHBondContact O-N 3.38Å
144I98.8Very high98.5Very high11 Ų1134 Ų346%0.05618%0.177CC..EExtended strand (participates in β ladder)trans-75.3132.8166-63.5168.8000107.8F69 L108 A109 L146 I222F69-I144 HydrophobicContact CD2-CD1 3.78Å; F69-I144 HydrophobicContact CE2-CD1 4.16Å; L108-I144 WeakPolarHBondContact CA-O 3.35Å; A109-I144 HydrophobicContact CB-CB 4.32Å; A109-I144 PolarHBondContact N-O 2.8Å; A109-I144 PolarHBondContact O-N 3.07Å; I144-L146 HydrophobicContact CG2-CD1 3.73Å; I144-L146 HydrophobicContact CG2-CG 4.23Å; I144-I222 HydrophobicContact CD1-CD1 4.38Å; I144-I222 HydrophobicContact CD1-CG2 4.06Å; I144-I222 HydrophobicContact CG1-CG2 4.34Å; I144-I222 HydrophobicContact CG2-CD1 3.86Å
145V98.9Very high98.5Very high0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-123.1110.8-178.2-170.70000109.6V106 L108 I139 T143 M147 L168 C185 G186V106-V145 HydrophobicContact CG1-CG1 3.87Å; L108-V145 HydrophobicContact CD2-CB 4.2Å; L108-V145 HydrophobicContact CD2-CG1 3.79Å; L108-V145 HydrophobicContact CD2-CG2 3.86Å; I139-V145 HydrophobicContact CD1-CG1 4.42Å; I139-V145 HydrophobicContact CD1-CG2 4.2Å; I139-V145 HydrophobicContact CG2-CG2 4.09Å; T143-V145 HydrophobicContact CG2-CG2 4.36Å; V145-M147 HydrophobicContact CG1-CE 3.33Å; V145-M147 HydrophobicContact CG1-CG 4.06Å; V145-L168 HydrophobicContact CB-CD1 4.27Å; V145-L168 HydrophobicContact CG1-CD1 3.99Å; V145-L168 HydrophobicContact CG2-CD1 4.19Å; V145-L168 HydrophobicContact CG2-CD2 4.3Å; V145-C185 CarbonylContact O-C 3.48Å; V145-C185 WeakPolarHBondContact O-CA 3.23Å; V145-G186 PolarHBondContact N-O 3.29Å; V145-G186 PolarHBondContact O-N 3.21Å
146L98.9Very high98.5Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-104.1126.6175.4-55.5101.9000109.4F71 M73 I85 V106 A107 I144 F184F71-L146 HydrophobicContact CB-CD2 4.14Å; F71-L146 HydrophobicContact CD2-CD2 4.14Å; F71-L146 HydrophobicContact CG-CD2 4.34Å; M73-L146 HydrophobicContact CE-CB 4.3Å; M73-L146 HydrophobicContact SD-CD2 4.42Å; I85-L146 HydrophobicContact CD1-CB 4.43Å; I85-L146 HydrophobicContact CG2-CB 3.82Å; I85-L146 HydrophobicContact CG2-CD2 3.88Å; I85-L146 HydrophobicContact CG2-CG 4.3Å; V106-L146 CarbonylContact C-O 3.6Å; V106-L146 VanDerWaalsContact CA-O 3.3Å; V106-L146 WeakPolarHBondContact CA-O 3.35Å; A107-L146 HydrophobicContact CB-CB 4.46Å; A107-L146 HydrophobicContact CB-CD1 4.45Å; A107-L146 PolarHBondContact N-O 2.86Å; A107-L146 PolarHBondContact O-N 2.88Å; I144-L146 HydrophobicContact CG2-CD1 3.73Å; I144-L146 HydrophobicContact CG2-CG 4.23Å; L146-F184 CarbonylContact C-O 3.44Å; L146-F184 WeakPolarHBondContact CA-O 3.43Å
147M98.9Very high98.5Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-127.7135.7-179.6-55.5-166.6-17400111.7M73 I104 N105 V106 L136 V145 I165 L168 W182 V183 F184M73-M147 WeakPolarHBondContact CE-O 3.26Å; I104-M147 HydrophobicContact CG2-CB 4.13Å; I104-M147 HydrophobicContact CG2-CG 4.46Å; I104-M147 HydrophobicContact CG2-SD 4.16Å; N105-M147 CarbonylContact O-C 3.54Å; N105-M147 VanDerWaalsContact O-CA 3.26Å; N105-M147 WeakPolarHBondContact O-CA 3.08Å; V106-M147 HydrophobicContact CG1-CE 4.33Å; V106-M147 HydrophobicContact CG1-CG 4.1Å; V106-M147 HydrophobicContact CG2-CE 4.48Å; V106-M147 HydrophobicContact CG2-CG 3.99Å; V106-M147 HydrophobicContact CG2-SD 4.25Å; L136-M147 HydrophobicContact CD2-CE 3.73Å; V145-M147 HydrophobicContact CG1-CE 3.33Å; V145-M147 HydrophobicContact CG1-CG 4.06Å; M147-I165 HydrophobicContact CE-CG1 4.2Å; M147-I165 HydrophobicContact CE-CG2 4.4Å; M147-I165 HydrophobicContact SD-CD1 4.42Å; M147-I165 HydrophobicContact SD-CG1 4.31Å; M147-I165 HydrophobicContact SD-CG2 4.11Å; M147-L168 HydrophobicContact CE-CD1 3.59Å; M147-W182 HydrophobicContact CB-CE3 4.42Å; M147-W182 HydrophobicContact CB-CH2 3.75Å; M147-W182 HydrophobicContact CB-CZ3 3.49Å; M147-W182 VanDerWaalsContact CB-CZ3 3.49Å; M147-W182 HydrophobicContact CG-CH2 4.26Å; M147-W182 HydrophobicContact CG-CZ3 4.33Å; M147-W182 HydrophobicContact SD-CH2 3.73Å; M147-W182 HydrophobicContact SD-CZ3 3.98Å; M147-V183 CarbonylContact O-C 3.51Å; M147-V183 WeakPolarHBondContact O-CA 3.44Å; M147-F184 HydrophobicContact CB-CB 4.49Å; M147-F184 HydrophobicContact CB-CD1 4.31Å; M147-F184 HydrophobicContact CG-CD1 4.16Å; M147-F184 PolarHBondContact N-O 3.23Å; M147-F184 PolarHBondContact O-N 3.1Å; M147-F184 HydrophobicContact SD-CD1 4.37Å
148G98.9Very high98.5Very high0 Ų031.9 Ų31.90%018%0.175CC..EExtended strand (participates in β ladder)trans-140.1139.7174.300000112.2N105 W182N105-G148 WeakPolarHBondContact CB-O 3.4Å; N105-G148 PolarHBondContact N-O 2.83Å; N105-G148 PolarHBondContact O-N 3.06Å; G148-W182 WeakPolarHBondContact CA-O 3.15Å
149T98.9Very high98.5Very high0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-80151178.853.30000112.7G76 G103 L176 N181 W182G76-T149 PolarHBondContact N-O 2.86Å; G103-T149 CarbonylContact O-C 3.51Å; G103-T149 WeakPolarHBondContact O-CA 3.45Å; T149-L176 HydrophobicContact CG2-CD2 4.34Å; T149-N181 WeakPolarHBondContact OG1-CA 3.45Å; T149-N181 PolarHBondContact OG1-OD1 3.46Å; T149-N181 VanDerWaalsContact OG1-OD1 3.1Å; T149-W182 HydrophobicContact CG2-CB 3.91Å; T149-W182 HydrophobicContact CG2-CE3 4.17Å; T149-W182 PolarHBondContact N-O 3.08Å; T149-W182 PolarHBondContact OG1-N 3.34Å; T149-W182 PolarHBondContact OG1-O 3.26Å
150Y98.9Very high98.5Very high35 Ų3538.1 Ų38.114%0.13720%0.198CC..EExtended strand (participates in β ladder)trans-138.4126.1166.4-170.7-165.5000110A78 N79 V81 G101 G103 D152A78-Y150 WeakPolarHBondContact O-CD2 2.97Å; A78-Y150 WeakPolarHBondContact O-CE2 3.37Å; N79-Y150 VanDerWaalsContact C-OH 3.26Å; N79-Y150 PolarHBondContact O-OH 3.04Å; V81-Y150 VanDerWaalsContact O-CE2 3.28Å; V81-Y150 WeakPolarHBondContact O-CE2 3.33Å; G101-Y150 VanDerWaalsContact C-CD1 3.44Å; G101-Y150 WeakPolarHBondContact O-CB 3.23Å; G101-Y150 WeakPolarHBondContact O-CD1 3.03Å; G103-Y150 PolarHBondContact N-O 3.33Å; G103-Y150 PolarHBondContact O-N 2.88Å; Y150-D152 VanDerWaalsContact C-N 3.34Å; Y150-D152 PolarHBondContact O-N 3.47Å
151D98.8Very high98.5Very high20 Ų2031.5 Ų31.511%0.10717%0.167CC..SBendtrans61.7-79.8-176177.523.2000113.6A78 N79 R102 R179 W212A78-D151 WeakPolarHBondContact O-CA 3.5Å; A78-D151 PolarHBondContact O-N 3.29Å; N79-D151 HydrophobicContact CB-CB 3.98Å; R102-D151 WeakPolarHBondContact CD-OD2 3.47Å; R102-D151 HydrophobicContact CG-CB 4Å; D151-R179 WeakPolarHBondContact O-CA 3.5Å; D151-R179 WeakPolarHBondContact O-CG 3.21Å; D151-R179 IonicContact OD1-NE 3.99Å; D151-W212 PolarHBondContact O-NE1 3.21Å; D151-W212 WeakPolarHBondContact OD1-CZ2 3.46Å; D151-W212 PolarHBondContact OD1-NE1 2.93Å
152D98.8Very high98.6Very high1 Ų127.9 Ų27.91%0.00515%0.145CC..  trans-137.7120.2175177.152.1000111.8G103 W125 Y150 A154 T155 F178 R179G103-D152 VanDerWaalsContact CA-O 3.23Å; G103-D152 WeakPolarHBondContact CA-O 3.4Å; W125-D152 HydrophobicContact CB-CB 4.31Å; W125-D152 HydrophobicContact CE3-CB 4.41Å; Y150-D152 VanDerWaalsContact C-N 3.34Å; Y150-D152 PolarHBondContact O-N 3.47Å; D152-A154 PolarHBondContact OD1-N 3.29Å; D152-T155 WeakPolarHBondContact OD2-CB 3.44Å; D152-T155 PolarHBondContact OD2-N 3.38Å; D152-T155 VanDerWaalsContact OD2-N 3.13Å; D152-T155 PolarHBondContact OD2-OG1 3.38Å; D152-F178 HydrophobicContact CB-CD2 4.38Å; D152-F178 HydrophobicContact CB-CE2 4.39Å; D152-F178 WeakPolarHBondContact OD1-CA 3.41Å; D152-R179 HydrophobicContact CB-CG 4.23Å; D152-R179 PolarHBondContact OD1-N 3.06Å
153G98.6Very high98.7Very high0 Ų034 Ų340%016%0.162CC..SBendtrans-101.32.3179.500000114.9I104 M124 L157I104-G153 WeakPolarHBondContact CD1-O 3.39Å; M124-G153 WeakPolarHBondContact CB-O 3.02Å; M124-G153 WeakPolarHBondContact CG-O 3.03Å; G153-L157 VanDerWaalsContact O-CD1 3.29Å; G153-L157 WeakPolarHBondContact O-CD1 3.45Å; G153-L157 WeakPolarHBondContact O-CG 3.42Å
154A98.7Very high98.7Very high4 Ų434.1 Ų34.13%0.03316%0.162CC..SBendtrans-124.7-30.1-161.200000116.8D152 K156 L157 L176 G177D152-A154 PolarHBondContact OD1-N 3.29Å; A154-K156 VanDerWaalsContact C-N 3.29Å; A154-K156 PolarHBondContact O-N 3.48Å; A154-L157 WeakPolarHBondContact O-CB 3.36Å; A154-L157 PolarHBondContact O-N 2.58Å; A154-L176 HydrophobicContact CB-CG 4.36Å; A154-L176 WeakPolarHBondContact CB-O 3.29Å; A154-G177 WeakPolarHBondContact CB-O 3.45Å
155T98.6Very high98.7Very high70 Ų7033.6 Ų33.643%0.42916%0.16SC..THydrogen-bonded Turntrans-60-36-165-60.90000113.8M124 W125 D152M124-T155 CarbonylContact O-C 3.58Å; M124-T155 WeakPolarHBondContact O-CB 3.35Å; M124-T155 PolarHBondContact O-N 2.96Å; W125-T155 HydrophobicContact CE3-CG2 3.94Å; W125-T155 VanDerWaalsContact CE3-OG1 3.31Å; W125-T155 HydrophobicContact CZ3-CG2 3.99Å; D152-T155 WeakPolarHBondContact OD2-CB 3.44Å; D152-T155 PolarHBondContact OD2-N 3.38Å; D152-T155 VanDerWaalsContact OD2-N 3.13Å; D152-T155 PolarHBondContact OD2-OG1 3.38Å
156K98.6Very high98.7Very high96 Ų9635.2 Ų35.242%0.41717%0.173SC..THydrogen-bonded Turntrans-96.9-1.6180-60.6-64.2-61-176.50114M124 W125 G127 V129 A154 N158M124-K156 WeakPolarHBondContact O-CB 3.36Å; M124-K156 VanDerWaalsContact O-CG 3.29Å; M124-K156 WeakPolarHBondContact O-CG 3.46Å; M124-K156 PolarHBondContact O-N 3.35Å; W125-K156 WeakPolarHBondContact O-CG 3.42Å; G127-K156 VanDerWaalsContact O-CE 3.26Å; G127-K156 WeakPolarHBondContact O-CE 3.46Å; G127-K156 WeakPolarHBondContact O-CG 3.24Å; V129-K156 WeakPolarHBondContact CB-O 3.37Å; A154-K156 VanDerWaalsContact C-N 3.29Å; A154-K156 PolarHBondContact O-N 3.48Å; K156-N158 PolarHBondContact O-N 2.88Å
157L98.4Very high98.7Very high17 Ų1740 Ų409%0.08920%0.195CC..  trans-65.7128.5176.4-73.9179.2000110.8I104 M124 F132 G153 A154 A161 R162 I173 L176I104-L157 HydrophobicContact CD1-CD1 4.26Å; I104-L157 HydrophobicContact CD1-CD2 4.05Å; M124-L157 HydrophobicContact CG-CD2 4.42Å; M124-L157 HydrophobicContact SD-CD2 3.66Å; M124-L157 HydrophobicContact SD-CG 4.12Å; F132-L157 HydrophobicContact CD1-CD2 4.36Å; F132-L157 HydrophobicContact CE1-CD2 4.05Å; G153-L157 VanDerWaalsContact O-CD1 3.29Å; G153-L157 WeakPolarHBondContact O-CD1 3.45Å; G153-L157 WeakPolarHBondContact O-CG 3.42Å; A154-L157 WeakPolarHBondContact O-CB 3.36Å; A154-L157 PolarHBondContact O-N 2.58Å; L157-A161 HydrophobicContact CD2-CB 3.92Å; L157-R162 HydrophobicContact CB-CG 4.27Å; L157-R162 HydrophobicContact CD1-CG 4.44Å; L157-I173 HydrophobicContact CD1-CD1 3.77Å; L157-L176 HydrophobicContact CD1-CD2 4.37Å
158N98.5Very high98.7Very high59 Ų5940 Ų4032%0.31620%0.196SC..  trans-104.6174170.969.75000111.3K156 E160 A161 R162K156-N158 PolarHBondContact O-N 2.88Å; N158-E160 PolarHBondContact O-N 2.92Å; N158-E160 PolarHBondContact OD1-N 3.43Å; N158-A161 PolarHBondContact O-N 2.87Å; N158-A161 WeakPolarHBondContact OD1-CB 3.44Å; N158-A161 PolarHBondContact OD1-N 2.9Å; N158-R162 WeakPolarHBondContact O-CG 3.37Å; N158-R162 PolarHBondContact O-N 3.42Å
159D98.7Very high98.7Very high140 Ų14040.3 Ų40.375%0.74920%0.198SC*.Hα-helixtrans-60.6-32.9-177.8-63.2-20.2000112.7R163D159-R163 VanDerWaalsContact O-CB 3.24Å; D159-R163 WeakPolarHBondContact O-CB 3.28Å; D159-R163 PolarHBondContact O-N 3.08Å
160E98.7Very high98.7Very high64 Ų6440.6 Ų40.630%0.29920%0.2SC..Hα-helixtrans-67-49.7177.8-176.4174.6-162.900111.8I133 K137 N158 R162 R163 L164I133-E160 HydrophobicContact CD1-CB 4.31Å; I133-E160 HydrophobicContact CD1-CG 4.38Å; I133-E160 HydrophobicContact CG2-CG 4.24Å; K137-E160 WeakPolarHBondContact CE-OE1 3.05Å; K137-E160 IonicContact NZ-OE1 3.38Å; K137-E160 PolarHBondContact NZ-OE1 3.48Å; N158-E160 PolarHBondContact O-N 2.92Å; N158-E160 PolarHBondContact OD1-N 3.43Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 2.72Å; E160-R163 PolarHBondContact O-N 3.16Å; E160-L164 HydrophobicContact CG-CD1 4.11Å; E160-L164 WeakPolarHBondContact O-CG 3.36Å; E160-L164 PolarHBondContact O-N 2.89Å
161A98.8Very high98.7Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-60.5-44.217700000111.1V129 I133 L157 N158 R163 L164 I165V129-A161 HydrophobicContact CG2-CB 3.96Å; I133-A161 HydrophobicContact CD1-CB 4.4Å; I133-A161 HydrophobicContact CG1-CB 3.97Å; L157-A161 HydrophobicContact CD2-CB 3.92Å; N158-A161 PolarHBondContact O-N 2.87Å; N158-A161 WeakPolarHBondContact OD1-CB 3.44Å; N158-A161 PolarHBondContact OD1-N 2.9Å; A161-R163 PolarHBondContact O-N 2.91Å; A161-L164 PolarHBondContact O-N 3.02Å; A161-I165 VanDerWaalsContact O-CG1 3.29Å; A161-I165 WeakPolarHBondContact O-CG1 3.26Å; A161-I165 PolarHBondContact O-N 3.03Å
162R98.8Very high98.6Very high41 Ų4142.1 Ų42.116%0.15522%0.215CC..Hα-helixtrans-60.6-45.4176.6-68.3178.1-172-86.63.3111.5L157 N158 E160 I165 A166 I173 L176L157-R162 HydrophobicContact CB-CG 4.27Å; L157-R162 HydrophobicContact CD1-CG 4.44Å; N158-R162 WeakPolarHBondContact O-CG 3.37Å; N158-R162 PolarHBondContact O-N 3.42Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 2.72Å; R162-I165 PolarHBondContact O-N 3.38Å; R162-A166 WeakPolarHBondContact O-CB 3.26Å; R162-A166 PolarHBondContact O-N 2.89Å; R162-I173 HydrophobicContact CG-CG1 4.46Å; R162-I173 PolarHBondContact NH1-O 3.39Å; R162-I173 WeakPolarHBondContact O-CG2 3.42Å; R162-L176 PolarHBondContact NH1-O 2.72Å; R162-L176 PolarHBondContact NH2-O 2.78Å
163R98.8Very high98.6Very high146 Ų14642 Ų4255%0.55122%0.215SC*.Hα-helixtrans-61.6-46.3177.1-176.3-176.764.9158.1-0.1111.8D159 E160 A161 I165 A166 E167D159-R163 VanDerWaalsContact O-CB 3.24Å; D159-R163 WeakPolarHBondContact O-CB 3.28Å; D159-R163 PolarHBondContact O-N 3.08Å; E160-R163 PolarHBondContact O-N 3.16Å; A161-R163 PolarHBondContact O-N 2.91Å; R163-I165 VanDerWaalsContact C-N 3.3Å; R163-I165 PolarHBondContact O-N 2.97Å; R163-A166 WeakPolarHBondContact O-CB 3.5Å; R163-A166 PolarHBondContact O-N 2.87Å; R163-A166 VanDerWaalsContact O-N 3.16Å; R163-E167 WeakPolarHBondContact O-CG 3.29Å; R163-E167 PolarHBondContact O-N 2.89Å
164L98.8Very high98.6Very high13 Ų1345.9 Ų45.97%0.06824%0.238CC..Hα-helixtrans-60.6-39.4179.3-73.9168.9000112.1I133 L136 K137 E160 A161 E167 L168I133-L164 HydrophobicContact CG2-CD1 3.91Å; L136-L164 HydrophobicContact CB-CB 4.25Å; L136-L164 HydrophobicContact CB-CD1 4.08Å; L136-L164 HydrophobicContact CD1-CB 4.07Å; L136-L164 HydrophobicContact CD1-CD1 4.37Å; K137-L164 HydrophobicContact CG-CD1 4.04Å; K137-L164 HydrophobicContact CG-CD2 4.29Å; E160-L164 HydrophobicContact CG-CD1 4.11Å; E160-L164 WeakPolarHBondContact O-CG 3.36Å; E160-L164 PolarHBondContact O-N 2.89Å; A161-L164 PolarHBondContact O-N 3.02Å; L164-E167 PolarHBondContact O-N 3.4Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å
165I98.8Very high98.6Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-73.4-35.6176.3-60.6164.1000111F132 L136 M147 A161 R162 R163 E167 L168 S170 I173 W182 F184F132-I165 HydrophobicContact CE1-CD1 3.79Å; F132-I165 HydrophobicContact CZ-CD1 3.79Å; F132-I165 HydrophobicContact CZ-CG1 4.45Å; L136-I165 HydrophobicContact CD1-CD1 4.26Å; L136-I165 HydrophobicContact CD1-CG1 3.86Å; L136-I165 HydrophobicContact CD2-CG1 4.07Å; M147-I165 HydrophobicContact CE-CG1 4.2Å; M147-I165 HydrophobicContact CE-CG2 4.4Å; M147-I165 HydrophobicContact SD-CD1 4.42Å; M147-I165 HydrophobicContact SD-CG1 4.31Å; M147-I165 HydrophobicContact SD-CG2 4.11Å; A161-I165 VanDerWaalsContact O-CG1 3.29Å; A161-I165 WeakPolarHBondContact O-CG1 3.26Å; A161-I165 PolarHBondContact O-N 3.03Å; R162-I165 PolarHBondContact O-N 3.38Å; R163-I165 VanDerWaalsContact C-N 3.3Å; R163-I165 PolarHBondContact O-N 2.97Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 2.84Å; I165-L168 WeakPolarHBondContact O-CB 3.38Å; I165-L168 PolarHBondContact O-N 3.18Å; I165-S170 PolarHBondContact O-N 2.91Å; I165-I173 HydrophobicContact CB-CB 4.3Å; I165-I173 HydrophobicContact CB-CG1 3.84Å; I165-I173 HydrophobicContact CB-CG2 4Å; I165-I173 HydrophobicContact CD1-CD1 3.86Å; I165-I173 HydrophobicContact CD1-CG1 3.74Å; I165-I173 HydrophobicContact CG1-CG1 4.41Å; I165-I173 HydrophobicContact CG2-CB 3.88Å; I165-I173 HydrophobicContact CG2-CD1 4.32Å; I165-I173 HydrophobicContact CG2-CG1 3.74Å; I165-I173 HydrophobicContact CG2-CG2 3.89Å; I165-W182 HydrophobicContact CG2-CH2 3.82Å; I165-W182 HydrophobicContact CG2-CZ2 4.23Å; I165-F184 HydrophobicContact CG2-CE1 4.43Å
166A98.7Very high98.6Very high34 Ų3449 Ų4928%0.28125%0.252SS..Hα-helixtrans-62.4-3717400000111.9R162 R163 L168 G169 S170 I173R162-A166 WeakPolarHBondContact O-CB 3.26Å; R162-A166 PolarHBondContact O-N 2.89Å; R163-A166 WeakPolarHBondContact O-CB 3.5Å; R163-A166 PolarHBondContact O-N 2.87Å; R163-A166 VanDerWaalsContact O-N 3.16Å; A166-L168 PolarHBondContact O-N 3.43Å; A166-G169 WeakPolarHBondContact O-CA 3.23Å; A166-G169 PolarHBondContact O-N 2.88Å; A166-S170 WeakPolarHBondContact CA-O 3.11Å; A166-I173 HydrophobicContact CB-CG2 4.13Å
167E98.4Very high98.6Very high99 Ų9945.6 Ų45.646%0.46324%0.244SC..THydrogen-bonded Turntrans-63.5-20.8172.6-72.5172.7-167.800113.5R163 L164 I165 G169R163-E167 WeakPolarHBondContact O-CG 3.29Å; R163-E167 PolarHBondContact O-N 2.89Å; L164-E167 PolarHBondContact O-N 3.4Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 2.84Å; E167-G169 PolarHBondContact O-N 2.8Å
168L98.6Very high98.6Very high2 Ų248.8 Ų48.81%0.0126%0.257CS..THydrogen-bonded Turntrans-81.2-2.3171.4-56.3174.4000112.9L136 I139 V145 M147 L164 I165 A166 F184 G186 G187 K188 I190L136-L168 HydrophobicContact CD2-CD1 4.27Å; I139-L168 HydrophobicContact CD1-CD1 4.45Å; V145-L168 HydrophobicContact CB-CD1 4.27Å; V145-L168 HydrophobicContact CG1-CD1 3.99Å; V145-L168 HydrophobicContact CG2-CD1 4.19Å; V145-L168 HydrophobicContact CG2-CD2 4.3Å; M147-L168 HydrophobicContact CE-CD1 3.59Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; I165-L168 WeakPolarHBondContact O-CB 3.38Å; I165-L168 PolarHBondContact O-N 3.18Å; A166-L168 PolarHBondContact O-N 3.43Å; L168-F184 HydrophobicContact CB-CE1 4.08Å; L168-F184 HydrophobicContact CB-CZ 4.08Å; L168-F184 WeakPolarHBondContact O-CZ 3.29Å; L168-G186 WeakPolarHBondContact O-CA 3.44Å; L168-G187 PolarHBondContact O-N 3.23Å; L168-G187 VanDerWaalsContact O-N 3.13Å; L168-K188 HydrophobicContact CD2-CB 4.1Å; L168-K188 HydrophobicContact CD2-CD 3.68Å; L168-I190 VanDerWaalsContact C-CG2 3.44Å; L168-I190 WeakPolarHBondContact O-CG2 3.36Å
169G98.6Very high98.6Very high5 Ų548.6 Ų48.65%0.05225%0.252CS..THydrogen-bonded Turntrans1085.1176.900000115.2A166 E167 S194A166-G169 WeakPolarHBondContact O-CA 3.23Å; A166-G169 PolarHBondContact O-N 2.88Å; E167-G169 PolarHBondContact O-N 2.8Å; G169-S194 PolarHBondContact O-N 3.1Å
170S98.8Very high98.6Very high6 Ų642.2 Ų42.24%0.04222%0.218CC..  trans-76.1142.6178.9173.90000111.9I165 A166 I173 E197I165-S170 PolarHBondContact O-N 2.91Å; A166-S170 WeakPolarHBondContact CA-O 3.11Å; S170-I173 VanDerWaalsContact OG-CB 3.23Å; S170-I173 WeakPolarHBondContact OG-CB 3.45Å; S170-I173 VanDerWaalsContact OG-CG2 3.24Å; S170-I173 WeakPolarHBondContact OG-CG2 3.41Å; S170-I173 PolarHBondContact OG-N 2.78Å; S170-I173 VanDerWaalsContact OG-N 3.13Å; S170-E197 WeakPolarHBondContact CB-OE1 3.42Å; S170-E197 PolarHBondContact OG-OE1 3.4Å
171T98.5Very high98.6Very high58 Ų5839.3 Ų39.336%0.35621%0.205SC..SBendtrans-112.6-32.5171.860.30000112.5K193 E197T171-K193 HydrophobicContact CG2-CB 4.12Å; T171-K193 HydrophobicContact CG2-CD 3.52Å; T171-K193 HydrophobicContact CG2-CG 3.63Å; T171-E197 PolarHBondContact N-OE1 2.9Å; T171-E197 PolarHBondContact N-OE2 3.31Å; T171-E197 PolarHBondContact OG1-OE2 2.83Å
172S98.6Very high98.6Very high29 Ų2939.3 Ų39.320%0.20321%0.205CC..G310 helixtrans-72.6-29-179.9-57.40000112.4T174 N175 L176 E197S172-T174 PolarHBondContact O-N 2.98Å; S172-T174 VanDerWaalsContact O-N 3.13Å; S172-N175 CarbonylContact O-C 3.58Å; S172-N175 PolarHBondContact O-N 3.17Å; S172-L176 PolarHBondContact O-N 2.9Å; S172-E197 WeakPolarHBondContact CB-OE1 3.35Å; S172-E197 PolarHBondContact N-OE1 2.92Å; S172-E197 PolarHBondContact N-OE2 3.02Å
173I98.7Very high98.6Very high0 Ų037.4 Ų37.40%020%0.197CC..G310 helixtrans-60.2-28.7-175.4-162.863.9000113.4L157 R162 I165 A166 S170 N175 L176 W182L157-I173 HydrophobicContact CD1-CD1 3.77Å; R162-I173 HydrophobicContact CG-CG1 4.46Å; R162-I173 PolarHBondContact NH1-O 3.39Å; R162-I173 WeakPolarHBondContact O-CG2 3.42Å; I165-I173 HydrophobicContact CB-CB 4.3Å; I165-I173 HydrophobicContact CB-CG1 3.84Å; I165-I173 HydrophobicContact CB-CG2 4Å; I165-I173 HydrophobicContact CD1-CD1 3.86Å; I165-I173 HydrophobicContact CD1-CG1 3.74Å; I165-I173 HydrophobicContact CG1-CG1 4.41Å; I165-I173 HydrophobicContact CG2-CB 3.88Å; I165-I173 HydrophobicContact CG2-CD1 4.32Å; I165-I173 HydrophobicContact CG2-CG1 3.74Å; I165-I173 HydrophobicContact CG2-CG2 3.89Å; A166-I173 HydrophobicContact CB-CG2 4.13Å; S170-I173 VanDerWaalsContact OG-CB 3.23Å; S170-I173 WeakPolarHBondContact OG-CB 3.45Å; S170-I173 VanDerWaalsContact OG-CG2 3.24Å; S170-I173 WeakPolarHBondContact OG-CG2 3.41Å; S170-I173 PolarHBondContact OG-N 2.78Å; S170-I173 VanDerWaalsContact OG-N 3.13Å; I173-N175 PolarHBondContact O-N 3.05Å; I173-L176 HydrophobicContact CD1-CB 4.28Å; I173-L176 HydrophobicContact CD1-CD2 3.77Å; I173-L176 PolarHBondContact O-N 2.96Å; I173-W182 HydrophobicContact CB-CZ2 4.45Å; I173-W182 HydrophobicContact CD1-CH2 4.21Å; I173-W182 HydrophobicContact CD1-CZ2 4.47Å; I173-W182 HydrophobicContact CD1-CZ3 4.29Å
174T98.2Very high98.7Very high80 Ų8030.4 Ų30.449%0.49117%0.171SC..G310 helixtrans-61.6-33.3177.8-51.30000111.7S172S172-T174 PolarHBondContact O-N 2.98Å; S172-T174 VanDerWaalsContact O-N 3.13Å
175N98.1Very high98.7Very high136 Ų13629.9 Ų29.973%0.72717%0.169SC*.THydrogen-bonded Turntrans-114.76.1-175.4-61.6-46.9000113.4S172 I173 G177S172-N175 CarbonylContact O-C 3.58Å; S172-N175 PolarHBondContact O-N 3.17Å; I173-N175 PolarHBondContact O-N 3.05Å; N175-G177 PolarHBondContact O-N 3.49Å
176L98.7Very high98.6Very high3 Ų330.3 Ų30.32%0.01617%0.173CC..  trans-60.7122.1-178.2-168.672.4000110.4T149 A154 L157 R162 S172 I173 D180 W182T149-L176 HydrophobicContact CG2-CD2 4.34Å; A154-L176 HydrophobicContact CB-CG 4.36Å; A154-L176 WeakPolarHBondContact CB-O 3.29Å; L157-L176 HydrophobicContact CD1-CD2 4.37Å; R162-L176 PolarHBondContact NH1-O 2.72Å; R162-L176 PolarHBondContact NH2-O 2.78Å; S172-L176 PolarHBondContact O-N 2.9Å; I173-L176 HydrophobicContact CD1-CB 4.28Å; I173-L176 HydrophobicContact CD1-CD2 3.77Å; I173-L176 PolarHBondContact O-N 2.96Å; L176-D180 HydrophobicContact CD1-CB 3.56Å; L176-D180 HydrophobicContact CG-CB 4.27Å; L176-W182 HydrophobicContact CD1-CB 3.6Å; L176-W182 HydrophobicContact CD1-CG 4.1Å; L176-W182 HydrophobicContact CD2-CB 4.4Å; L176-W182 HydrophobicContact CD2-CD2 4.5Å; L176-W182 HydrophobicContact CD2-CE3 4.36Å
177G98.6Very high98.6Very high25 Ų2529.4 Ų29.426%0.25817%0.167SC..  trans-111.1178.8-175.100000114.1A154 N175 R179 D180A154-G177 WeakPolarHBondContact CB-O 3.45Å; N175-G177 PolarHBondContact O-N 3.49Å; G177-R179 PolarHBondContact O-N 2.52Å; G177-D180 PolarHBondContact N-OD2 2.72Å; G177-D180 VanDerWaalsContact O-CB 3.32Å; G177-D180 WeakPolarHBondContact O-CB 3.13Å; G177-D180 PolarHBondContact O-N 3.29Å; G177-D180 VanDerWaalsContact O-N 3.09Å
178F98.8Very high98.5Very high85 Ų8526.7 Ų26.737%0.37315%0.154SC..THydrogen-bonded Turntrans-54.4120-176.9172.4-112.2000112.5W125 D152 D180 N202W125-F178 HydrophobicContact CE3-CD2 4.14Å; W125-F178 AromaticContact CE3-CE2 3.71Å; W125-F178 HydrophobicContact CE3-CE2 3.71Å; W125-F178 AromaticContact CH2-CE2 3.86Å; W125-F178 HydrophobicContact CH2-CE2 3.86Å; W125-F178 HydrophobicContact CH2-CZ 4.37Å; W125-F178 AromaticContact CZ3-CD2 3.7Å; W125-F178 HydrophobicContact CZ3-CD2 3.7Å; W125-F178 AromaticContact CZ3-CE2 3.19Å; W125-F178 HydrophobicContact CZ3-CE2 3.19Å; W125-F178 HydrophobicContact CZ3-CZ 4.1Å; D152-F178 HydrophobicContact CB-CD2 4.38Å; D152-F178 HydrophobicContact CB-CE2 4.39Å; D152-F178 WeakPolarHBondContact OD1-CA 3.41Å; F178-D180 PolarHBondContact O-N 2.87Å; F178-N202 VanDerWaalsContact O-CB 3.28Å; F178-N202 WeakPolarHBondContact O-CB 3.48Å; F178-N202 PolarHBondContact O-ND2 2.83Å
179R98.7Very high98.3Very high54 Ų5428.1 Ų28.120%0.20417%0.169CC..THydrogen-bonded Turntrans5916.2-178-57.4177.5170.3-1791.5115.9D151 D152 G177 N181 N202 G211 W212 P213D151-R179 WeakPolarHBondContact O-CA 3.5Å; D151-R179 WeakPolarHBondContact O-CG 3.21Å; D151-R179 IonicContact OD1-NE 3.99Å; D152-R179 HydrophobicContact CB-CG 4.23Å; D152-R179 PolarHBondContact OD1-N 3.06Å; G177-R179 PolarHBondContact O-N 2.52Å; R179-N181 PolarHBondContact O-N 3.17Å; R179-N202 HydrophobicContact CB-CB 4.29Å; R179-G211 WeakPolarHBondContact CD-O 3.46Å; R179-G211 PolarHBondContact NH1-O 3.37Å; R179-W212 VanDerWaalsContact CZ-CH2 3.42Å; R179-W212 VanDerWaalsContact NH1-CH2 3.31Å; R179-W212 VanDerWaalsContact NH2-CH2 3.3Å; R179-P213 WeakPolarHBondContact O-CD 3.34Å; R179-P213 VanDerWaalsContact O-CG 3.28Å; R179-P213 WeakPolarHBondContact O-CG 3.43Å
180D98.8Very high98.1Very high6 Ų630.4 Ų30.43%0.03218%0.179CC..  trans-60.5134.8167.1-75.6-1.6000109.4L176 G177 F178 H199 K201 N202L176-D180 HydrophobicContact CD1-CB 3.56Å; L176-D180 HydrophobicContact CG-CB 4.27Å; G177-D180 PolarHBondContact N-OD2 2.72Å; G177-D180 VanDerWaalsContact O-CB 3.32Å; G177-D180 WeakPolarHBondContact O-CB 3.13Å; G177-D180 PolarHBondContact O-N 3.29Å; G177-D180 VanDerWaalsContact O-N 3.09Å; F178-D180 PolarHBondContact O-N 2.87Å; D180-H199 VanDerWaalsContact CB-NE2 3.34Å; D180-H199 WeakPolarHBondContact CB-NE2 3.45Å; D180-H199 IonicContact OD2-CD2 3.92Å; D180-H199 IonicContact OD2-CE1 3.59Å; D180-H199 IonicContact OD2-NE2 2.81Å; D180-H199 PolarHBondContact OD2-NE2 3.13Å; D180-K201 WeakPolarHBondContact OD1-CA 3.29Å; D180-K201 WeakPolarHBondContact OD1-CG 3.41Å; D180-N202 PolarHBondContact OD1-N 2.95Å
181N98.8Very high97.8Very high4 Ų439.5 Ų39.52%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-88.6130.9173-102.2-16.9000109.6S75 G76 T149 R179 H199 I200 P213 E214 V216S75-N181 WeakPolarHBondContact CB-OD1 3.33Å; S75-N181 PolarHBondContact OG-ND2 3.26Å; G76-N181 PolarHBondContact O-ND2 3.48Å; T149-N181 WeakPolarHBondContact OG1-CA 3.45Å; T149-N181 PolarHBondContact OG1-OD1 3.46Å; T149-N181 VanDerWaalsContact OG1-OD1 3.1Å; R179-N181 PolarHBondContact O-N 3.17Å; N181-H199 CarbonylContact O-C 3.54Å; N181-H199 VanDerWaalsContact O-CA 3.26Å; N181-H199 WeakPolarHBondContact O-CA 3.47Å; N181-H199 PolarHBondContact O-CD2 3.36Å; N181-I200 PolarHBondContact N-O 2.94Å; N181-I200 PolarHBondContact O-N 3.22Å; N181-P213 HydrophobicContact CB-CG 3.95Å; N181-E214 PolarHBondContact ND2-O 2.75Å; N181-V216 HydrophobicContact CB-CG1 4.09Å
182W98.9Very high97.6Very high0 Ų041.5 Ų41.50%023%0.231CC..EExtended strand (participates in β ladder)trans-145.2137.9-175.7172.174.5000111I104 M147 G148 T149 I165 I173 L176 F184 E197 Q198I104-W182 HydrophobicContact CG2-CZ3 4.42Å; M147-W182 HydrophobicContact CB-CE3 4.42Å; M147-W182 HydrophobicContact CB-CH2 3.75Å; M147-W182 HydrophobicContact CB-CZ3 3.49Å; M147-W182 VanDerWaalsContact CB-CZ3 3.49Å; M147-W182 HydrophobicContact CG-CH2 4.26Å; M147-W182 HydrophobicContact CG-CZ3 4.33Å; M147-W182 HydrophobicContact SD-CH2 3.73Å; M147-W182 HydrophobicContact SD-CZ3 3.98Å; G148-W182 WeakPolarHBondContact CA-O 3.15Å; T149-W182 HydrophobicContact CG2-CB 3.91Å; T149-W182 HydrophobicContact CG2-CE3 4.17Å; T149-W182 PolarHBondContact N-O 3.08Å; T149-W182 PolarHBondContact OG1-N 3.34Å; T149-W182 PolarHBondContact OG1-O 3.26Å; I165-W182 HydrophobicContact CG2-CH2 3.82Å; I165-W182 HydrophobicContact CG2-CZ2 4.23Å; I173-W182 HydrophobicContact CB-CZ2 4.45Å; I173-W182 HydrophobicContact CD1-CH2 4.21Å; I173-W182 HydrophobicContact CD1-CZ2 4.47Å; I173-W182 HydrophobicContact CD1-CZ3 4.29Å; L176-W182 HydrophobicContact CD1-CB 3.6Å; L176-W182 HydrophobicContact CD1-CG 4.1Å; L176-W182 HydrophobicContact CD2-CB 4.4Å; L176-W182 HydrophobicContact CD2-CD2 4.5Å; L176-W182 HydrophobicContact CD2-CE3 4.36Å; W182-F184 HydrophobicContact CD2-CB 4.18Å; W182-F184 VanDerWaalsContact CE2-CB 3.4Å; W182-F184 HydrophobicContact CH2-CB 3.56Å; W182-F184 AromaticContact CH2-CD1 3.71Å; W182-F184 HydrophobicContact CH2-CD1 3.71Å; W182-F184 AromaticContact CH2-CG 3.87Å; W182-F184 HydrophobicContact CH2-CG 3.87Å; W182-F184 HydrophobicContact CZ2-CB 3.08Å; W182-F184 AromaticContact CZ2-CD1 3.69Å; W182-F184 HydrophobicContact CZ2-CD1 3.69Å; W182-F184 HydrophobicContact CZ2-CD2 4.15Å; W182-F184 AromaticContact CZ2-CG 3.4Å; W182-F184 HydrophobicContact CZ2-CG 3.4Å; W182-F184 HydrophobicContact CZ3-CB 4.28Å; W182-E197 PolarHBondContact NE1-OE1 3.3Å; W182-Q198 WeakPolarHBondContact CA-O 3.49Å
183V98.9Very high97.5Very high0 Ų047.6 Ų47.60%025%0.253CS..EExtended strand (participates in β ladder)trans-131.7138.3171.2-69.70000109.3M73 M147 Q198 V216 M218M73-V183 HydrophobicContact CE-CB 3.86Å; M73-V183 HydrophobicContact CE-CG1 4.18Å; M73-V183 HydrophobicContact CG-CB 4.01Å; M73-V183 HydrophobicContact CG-CG1 4.27Å; M73-V183 HydrophobicContact SD-CB 4.12Å; M147-V183 CarbonylContact O-C 3.51Å; M147-V183 WeakPolarHBondContact O-CA 3.44Å; V183-Q198 HydrophobicContact CG2-CB 3.85Å; V183-Q198 PolarHBondContact N-O 2.75Å; V183-Q198 PolarHBondContact O-N 3.09Å; V183-V216 HydrophobicContact CB-CG1 4.37Å; V183-V216 HydrophobicContact CG1-CG1 3.98Å; V183-V216 HydrophobicContact CG2-CG1 3.85Å; V183-V216 HydrophobicContact CG2-CG2 4.22Å; V183-M218 HydrophobicContact CB-CE 4.41Å; V183-M218 HydrophobicContact CG2-CB 3.73Å; V183-M218 HydrophobicContact CG2-CE 4.14Å
184F98.9Very high97.5Very high0 Ų048.3 Ų48.30%026%0.258CS..EExtended strand (participates in β ladder)trans-148.1138.3-173166.9-110.9000111.1M73 L146 M147 I165 L168 W182 G186 E197M73-F184 WeakPolarHBondContact CE-O 3.41Å; L146-F184 CarbonylContact C-O 3.44Å; L146-F184 WeakPolarHBondContact CA-O 3.43Å; M147-F184 HydrophobicContact CB-CB 4.49Å; M147-F184 HydrophobicContact CB-CD1 4.31Å; M147-F184 HydrophobicContact CG-CD1 4.16Å; M147-F184 PolarHBondContact N-O 3.23Å; M147-F184 PolarHBondContact O-N 3.1Å; M147-F184 HydrophobicContact SD-CD1 4.37Å; I165-F184 HydrophobicContact CG2-CE1 4.43Å; L168-F184 HydrophobicContact CB-CE1 4.08Å; L168-F184 HydrophobicContact CB-CZ 4.08Å; L168-F184 WeakPolarHBondContact O-CZ 3.29Å; W182-F184 HydrophobicContact CD2-CB 4.18Å; W182-F184 VanDerWaalsContact CE2-CB 3.4Å; W182-F184 HydrophobicContact CH2-CB 3.56Å; W182-F184 AromaticContact CH2-CD1 3.71Å; W182-F184 HydrophobicContact CH2-CD1 3.71Å; W182-F184 AromaticContact CH2-CG 3.87Å; W182-F184 HydrophobicContact CH2-CG 3.87Å; W182-F184 HydrophobicContact CZ2-CB 3.08Å; W182-F184 AromaticContact CZ2-CD1 3.69Å; W182-F184 HydrophobicContact CZ2-CD1 3.69Å; W182-F184 HydrophobicContact CZ2-CD2 4.15Å; W182-F184 AromaticContact CZ2-CG 3.4Å; W182-F184 HydrophobicContact CZ2-CG 3.4Å; W182-F184 HydrophobicContact CZ3-CB 4.28Å; F184-G186 VanDerWaalsContact CZ-CA 3.42Å; F184-E197 HydrophobicContact CD2-CB 4.1Å; F184-E197 HydrophobicContact CD2-CG 4.14Å
185C98.9Very high97.5Very high2 Ų249.5 Ų49.51%0.01427%0.267CS..EExtended strand (participates in β ladder)trans-126110.1168.4174.90000108.3F71 M73 V145 S194 F196 M218 I222F71-C185 HydrophobicContact CE2-CB 4.19Å; F71-C185 HydrophobicContact CZ-CB 4.2Å; M73-C185 HydrophobicContact SD-CB 4.48Å; V145-C185 CarbonylContact O-C 3.48Å; V145-C185 WeakPolarHBondContact O-CA 3.23Å; C185-S194 WeakPolarHBondContact O-CB 3.45Å; C185-S194 PolarHBondContact O-OG 2.84Å; C185-F196 HydrophobicContact CB-CB 3.76Å; C185-F196 HydrophobicContact CB-CG 4.48Å; C185-F196 PolarHBondContact N-O 3.31Å; C185-M218 HydrophobicContact CB-CE 4.3Å; C185-I222 WeakPolarHBondContact SG-CD1 3.44Å
186G98.4Very high97.5Very high9 Ų944.9 Ų44.99%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-122.2-164.9178.300000112.4V145 L168 F184V145-G186 PolarHBondContact N-O 3.29Å; V145-G186 PolarHBondContact O-N 3.21Å; L168-G186 WeakPolarHBondContact O-CA 3.44Å; F184-G186 VanDerWaalsContact CZ-CA 3.42Å
187G97.4Very high97.5Very high15 Ų1545.8 Ų45.816%0.15525%0.245CC..EExtended strand (participates in β ladder)trans-156.5143.1177.400000112.8T143 L168 G189 I190T143-G187 VanDerWaalsContact O-CA 3.28Å; T143-G187 WeakPolarHBondContact O-CA 3.38Å; L168-G187 PolarHBondContact O-N 3.23Å; L168-G187 VanDerWaalsContact O-N 3.13Å; G187-G189 PolarHBondContact O-N 2.57Å; G187-I190 WeakPolarHBondContact O-CB 3.37Å; G187-I190 WeakPolarHBondContact O-CG2 3.45Å; G187-I190 PolarHBondContact O-N 3.05Å
188K97.3Very high97.5Very high42 Ų4249.5 Ų49.518%0.18326%0.256CS..THydrogen-bonded Turntrans-70.9124.7174.6-169.974.3174.6-177.80109.9I139 Q140 D141 G142 T143 L168I139-K188 HydrophobicContact CB-CD 4.44Å; I139-K188 HydrophobicContact CG2-CB 3.84Å; I139-K188 HydrophobicContact CG2-CD 4.35Å; I139-K188 HydrophobicContact CG2-CG 4.2Å; I139-K188 WeakPolarHBondContact O-CE 3.36Å; Q140-K188 WeakPolarHBondContact O-CB 3.21Å; D141-K188 WeakPolarHBondContact OD1-CG 3.37Å; G142-K188 PolarHBondContact N-O 2.9Å; T143-K188 PolarHBondContact O-N 3.38Å; L168-K188 HydrophobicContact CD2-CB 4.1Å; L168-K188 HydrophobicContact CD2-CD 3.68Å
189G94.3Very high97.5Very high32 Ų3248.7 Ų48.733%0.3325%0.253SS..THydrogen-bonded Turntrans916-176.500000114.6G187G187-G189 PolarHBondContact O-N 2.57Å
190I94.4Very high97.5Very high53 Ų5348.5 Ų48.527%0.27226%0.256SS..  trans-58.9143.4172.4-159.1172.2000110.3L168 G187 T192L168-I190 VanDerWaalsContact C-CG2 3.44Å; L168-I190 WeakPolarHBondContact O-CG2 3.36Å; G187-I190 WeakPolarHBondContact O-CB 3.37Å; G187-I190 WeakPolarHBondContact O-CG2 3.45Å; G187-I190 PolarHBondContact O-N 3.05Å; I190-T192 WeakPolarHBondContact CD1-O 3.24Å; I190-T192 WeakPolarHBondContact CG1-O 3.3Å
191K91.8Very high97.5Very high196 Ų19655 Ų5585%0.85228%0.283SS*.  trans-106.3-4.2179.5-57.8-58.6179.5-173.60113.4
192T94.4Very high97.4Very high101 Ų10156.4 Ų56.462%0.6229%0.291SS*.SBendtrans-129167.8-177.561.60000109.9I190I190-T192 WeakPolarHBondContact CD1-O 3.24Å; I190-T192 WeakPolarHBondContact CG1-O 3.3Å
193K96.9Very high97.4Very high156 Ų15659.4 Ų59.468%0.67831%0.307SS*.  trans-60.8143.9164.6-64.5170.8170.2-170.30109.2T171T171-K193 HydrophobicContact CG2-CB 4.12Å; T171-K193 HydrophobicContact CG2-CD 3.52Å; T171-K193 HydrophobicContact CG2-CG 3.63Å
194S97.9Very high97.3Very high15 Ų1568.3 Ų68.311%0.10535%0.346CS..  trans-70.2137.4175.5-177.50000110.1G169 C185 F196G169-S194 PolarHBondContact O-N 3.1Å; C185-S194 WeakPolarHBondContact O-CB 3.45Å; C185-S194 PolarHBondContact O-OG 2.84Å; S194-F196 PolarHBondContact O-N 3.13Å; S194-F196 PolarHBondContact OG-N 2.88Å
195P97.8Very high97.3Very high105 Ų10575.3 Ų75.368%0.68238%0.383SS*.SBendtrans-75.2-6.6168.533.4-35.6000112.7
196F98.6Very high97.2Very high39 Ų3980.3 Ų80.317%0.17141%0.414CS..EExtended strand (participates in β ladder)trans-112.879.6-175.7-53.2-59.5000110.5F71 C185 S194 M218 C221 I222F71-F196 AromaticContact CE1-CD1 3.83Å; F71-F196 HydrophobicContact CE1-CD1 3.83Å; F71-F196 HydrophobicContact CE1-CD2 4.26Å; F71-F196 HydrophobicContact CE1-CE1 4.04Å; F71-F196 HydrophobicContact CE1-CE2 4.45Å; F71-F196 AromaticContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CZ 4.36Å; F71-F196 HydrophobicContact CZ-CB 3.93Å; F71-F196 AromaticContact CZ-CD1 3.7Å; F71-F196 HydrophobicContact CZ-CD1 3.7Å; F71-F196 HydrophobicContact CZ-CD2 4.46Å; F71-F196 HydrophobicContact CZ-CE1 4.35Å; F71-F196 AromaticContact CZ-CG 3.77Å; F71-F196 HydrophobicContact CZ-CG 3.77Å; C185-F196 HydrophobicContact CB-CB 3.76Å; C185-F196 HydrophobicContact CB-CG 4.48Å; C185-F196 PolarHBondContact N-O 3.31Å; S194-F196 PolarHBondContact O-N 3.13Å; S194-F196 PolarHBondContact OG-N 2.88Å; F196-M218 VanDerWaalsContact CA-SD 3.52Å; F196-M218 HydrophobicContact CB-CE 3.92Å; F196-M218 HydrophobicContact CB-SD 3.82Å; F196-M218 WeakPolarHBondContact O-CE 3.23Å; F196-C221 VanDerWaalsContact CZ-O 3.28Å; F196-C221 WeakPolarHBondContact CZ-O 3.36Å; F196-I222 HydrophobicContact CE2-CG1 4.36Å
197E98.8Very high97.2Very high22 Ų2281.3 Ų81.310%0.10342%0.417CS..EExtended strand (participates in β ladder)trans-148.3131.3175-173.4167.6-138.500110.1S170 T171 S172 W182 F184 M218S170-E197 WeakPolarHBondContact CB-OE1 3.42Å; S170-E197 PolarHBondContact OG-OE1 3.4Å; T171-E197 PolarHBondContact N-OE1 2.9Å; T171-E197 PolarHBondContact N-OE2 3.31Å; T171-E197 PolarHBondContact OG1-OE2 2.83Å; S172-E197 WeakPolarHBondContact CB-OE1 3.35Å; S172-E197 PolarHBondContact N-OE1 2.92Å; S172-E197 PolarHBondContact N-OE2 3.02Å; W182-E197 PolarHBondContact NE1-OE1 3.3Å; F184-E197 HydrophobicContact CD2-CB 4.1Å; F184-E197 HydrophobicContact CD2-CG 4.14Å; E197-M218 PolarHBondContact N-SD 2.81Å; E197-M218 VanDerWaalsContact N-SD 3.36Å
198Q98.6Very high97.2Very high104 Ų10487 Ų8749%0.48644%0.438SS..EExtended strand (participates in β ladder)trans-138.7146175.2-67.3-74.28600110.3W182 V183 V216 M218W182-Q198 WeakPolarHBondContact CA-O 3.49Å; V183-Q198 HydrophobicContact CG2-CB 3.85Å; V183-Q198 PolarHBondContact N-O 2.75Å; V183-Q198 PolarHBondContact O-N 3.09Å; Q198-V216 HydrophobicContact CB-CG2 3.53Å; Q198-M218 HydrophobicContact CG-CB 4.29Å; Q198-M218 HydrophobicContact CG-CG 4.37Å; Q198-M218 HydrophobicContact CG-SD 4.05Å
199H98.3Very high97.2Very high67 Ų6788.9 Ų88.931%0.3144%0.444SS..EExtended strand (participates in β ladder)trans-146.6142.8-176163-105.1000110.8D180 N181D180-H199 VanDerWaalsContact CB-NE2 3.34Å; D180-H199 WeakPolarHBondContact CB-NE2 3.45Å; D180-H199 IonicContact OD2-CD2 3.92Å; D180-H199 IonicContact OD2-CE1 3.59Å; D180-H199 IonicContact OD2-NE2 2.81Å; D180-H199 PolarHBondContact OD2-NE2 3.13Å; N181-H199 CarbonylContact O-C 3.54Å; N181-H199 VanDerWaalsContact O-CA 3.26Å; N181-H199 WeakPolarHBondContact O-CA 3.47Å; N181-H199 PolarHBondContact O-CD2 3.36Å
200I98.6Very high97.3Very high51 Ų5196.3 Ų96.326%0.26247%0.47SS..EExtended strand (participates in β ladder)trans-127.2118168.4-58.5176.6000107.6N181 P213 E214 V216N181-I200 PolarHBondContact N-O 2.94Å; N181-I200 PolarHBondContact O-N 3.22Å; I200-P213 HydrophobicContact CB-CB 4.26Å; I200-P213 HydrophobicContact CG2-CB 3.61Å; I200-E214 HydrophobicContact CD1-CG 3.71Å; I200-V216 HydrophobicContact CD1-CB 3.86Å; I200-V216 HydrophobicContact CD1-CG2 4.21Å; I200-V216 HydrophobicContact CG1-CB 3.98Å; I200-V216 HydrophobicContact CG1-CG2 4.12Å
201K98.6Very high97.4Very high142 Ų14295 Ų9562%0.61747%0.47SS*.  trans-68.4138178.8-166.9175.8179.5177.70110.8D180 N203D180-K201 WeakPolarHBondContact OD1-CA 3.29Å; D180-K201 WeakPolarHBondContact OD1-CG 3.41Å; K201-N203 PolarHBondContact O-N 2.91Å
202N98.5Very high97.7Very high34 Ų3487.4 Ų87.418%0.18244%0.435CS..  trans-64.7114.8166.1176.716.6000109.6F178 R179 D180 N207F178-N202 VanDerWaalsContact O-CB 3.28Å; F178-N202 WeakPolarHBondContact O-CB 3.48Å; F178-N202 PolarHBondContact O-ND2 2.83Å; R179-N202 HydrophobicContact CB-CB 4.29Å; D180-N202 PolarHBondContact OD1-N 2.95Å; N202-N207 PolarHBondContact OD1-ND2 3.01Å
203N98.3Very high97.9Very high62 Ų6282.7 Ų82.733%0.33241%0.407SS..  trans-141.8119.3178.1178.50000109.8K201 D205 T206 N207K201-N203 PolarHBondContact O-N 2.91Å; N203-D205 PolarHBondContact O-N 3.4Å; N203-D205 PolarHBondContact OD1-N 3.02Å; N203-D205 VanDerWaalsContact OD1-N 3.1Å; N203-T206 WeakPolarHBondContact CB-OG1 3.45Å; N203-T206 PolarHBondContact O-N 3.05Å; N203-N207 VanDerWaalsContact C-CG 3.5Å; N203-N207 PolarHBondContact N-OD1 2.92Å; N203-N207 WeakPolarHBondContact O-CB 3.39Å; N203-N207 PolarHBondContact O-N 2.89Å; N203-N207 PolarHBondContact O-ND2 3.13Å; N203-N207 PolarHBondContact O-OD1 3.42Å; N203-N207 VanDerWaalsContact O-OD1 3.05Å
204K96.9Very high97.9Very high187 Ų18779.5 Ų79.581%0.81339%0.394SS*.THydrogen-bonded Turntrans-53.6-31.4-177.4-67.1-174.9179.1-178.30113.3
205D97.8Very high98Very high148 Ų14880.7 Ų80.779%0.79140%0.401SS*.THydrogen-bonded Turntrans-80.7-21.7-176.5-55.7-32.8000113.1N203N203-D205 PolarHBondContact O-N 3.4Å; N203-D205 PolarHBondContact OD1-N 3.02Å; N203-D205 VanDerWaalsContact OD1-N 3.1Å
206T97.8Very high98Very high106 Ų10676 Ų7665%0.6537%0.37SS*.THydrogen-bonded Turntrans-123.4-1.3-173.6650000113.8N203N203-T206 WeakPolarHBondContact CB-OG1 3.45Å; N203-T206 PolarHBondContact O-N 3.05Å
207N98Very high98Very high30 Ų3080 Ų8016%0.1639%0.389CS..  trans-65136.9-178.3-82.1-15.3000111.6N202 N203 Y209 W212 P213N202-N207 PolarHBondContact OD1-ND2 3.01Å; N203-N207 VanDerWaalsContact C-CG 3.5Å; N203-N207 PolarHBondContact N-OD1 2.92Å; N203-N207 WeakPolarHBondContact O-CB 3.39Å; N203-N207 PolarHBondContact O-N 2.89Å; N203-N207 PolarHBondContact O-ND2 3.13Å; N203-N207 PolarHBondContact O-OD1 3.42Å; N203-N207 VanDerWaalsContact O-OD1 3.05Å; N207-Y209 WeakPolarHBondContact CB-O 3.12Å; N207-W212 WeakPolarHBondContact CB-O 3.38Å; N207-P213 WeakPolarHBondContact OD1-CA 3.32Å
208K97.8Very high98Very high136 Ų13679.8 Ų79.859%0.59139%0.389SS*.SBendtrans-78.1-32.9174.7-178.4174-166.4155.10113E214K208-E214 HydrophobicContact CB-CB 3.69Å; K208-E214 HydrophobicContact CD-CB 3.4Å; K208-E214 VanDerWaalsContact CD-CB 3.4Å; K208-E214 HydrophobicContact CG-CB 4.22Å; K208-E214 IonicContact NZ-OE2 3.2Å; K208-E214 PolarHBondContact NZ-OE2 3.41Å
209Y97.1Very high98Very high80 Ų8078 Ų7831%0.31438%0.38SS..BIsolated β-bridgetrans-108.6159.2176.6-49.7-67000109.8A77 A78 N207 G211 W212 P213A77-Y209 HydrophobicContact CB-CE2 4.04Å; A78-Y209 HydrophobicContact CB-CD2 4.34Å; A78-Y209 HydrophobicContact CB-CG 4.41Å; N207-Y209 WeakPolarHBondContact CB-O 3.12Å; Y209-G211 PolarHBondContact O-N 2.91Å; Y209-W212 HydrophobicContact CD2-CB 4.3Å; Y209-W212 PolarHBondContact N-O 3.29Å; Y209-W212 VanDerWaalsContact N-O 3.12Å; Y209-W212 PolarHBondContact O-N 3.23Å; Y209-W212 VanDerWaalsContact O-O 3.12Å; Y209-P213 WeakPolarHBondContact CD2-O 3.4Å; Y209-P213 WeakPolarHBondContact CE2-O 3.44Å
210E96Very high98Very high189 Ų18975.5 Ų75.588%0.88337%0.373SS*.THydrogen-bonded Turntrans-66.491.6178.7-170.6-179.8176.400111.3W212E210-W212 WeakPolarHBondContact O-CZ3 3.11Å
211G96.4Very high98Very high25 Ų2574.2 Ų74.226%0.25837%0.368SS..THydrogen-bonded Turntrans89.312.1-179.700000115.7R179 Y209R179-G211 WeakPolarHBondContact CD-O 3.46Å; R179-G211 PolarHBondContact NH1-O 3.37Å; Y209-G211 PolarHBondContact O-N 2.91Å
212W98.4Very high97.9Very high36 Ų3668.1 Ų68.114%0.13634%0.342CS..BIsolated β-bridgetrans-138.4144.5170.1-68.1-101.5000111.7A78 N79 D151 R179 N207 Y209 E210A78-W212 HydrophobicContact CB-CB 3.97Å; A78-W212 HydrophobicContact CB-CD2 3.7Å; A78-W212 HydrophobicContact CB-CE3 3.98Å; A78-W212 HydrophobicContact CB-CG 3.73Å; N79-W212 HydrophobicContact CB-CZ2 4.38Å; D151-W212 PolarHBondContact O-NE1 3.21Å; D151-W212 WeakPolarHBondContact OD1-CZ2 3.46Å; D151-W212 PolarHBondContact OD1-NE1 2.93Å; R179-W212 VanDerWaalsContact CZ-CH2 3.42Å; R179-W212 VanDerWaalsContact NH1-CH2 3.31Å; R179-W212 VanDerWaalsContact NH2-CH2 3.3Å; N207-W212 WeakPolarHBondContact CB-O 3.38Å; Y209-W212 HydrophobicContact CD2-CB 4.3Å; Y209-W212 PolarHBondContact N-O 3.29Å; Y209-W212 VanDerWaalsContact N-O 3.12Å; Y209-W212 PolarHBondContact O-N 3.23Å; Y209-W212 VanDerWaalsContact O-O 3.12Å; E210-W212 WeakPolarHBondContact O-CZ3 3.11Å
213P98.4Very high97.9Very high2 Ų270.5 Ų70.51%0.01336%0.359CS..PPolyproline II helixtrans-68.5169.4172.430.6-35.2000111.7R179 N181 I200 N207 Y209R179-P213 WeakPolarHBondContact O-CD 3.34Å; R179-P213 VanDerWaalsContact O-CG 3.28Å; R179-P213 WeakPolarHBondContact O-CG 3.43Å; N181-P213 HydrophobicContact CB-CG 3.95Å; I200-P213 HydrophobicContact CB-CB 4.26Å; I200-P213 HydrophobicContact CG2-CB 3.61Å; N207-P213 WeakPolarHBondContact OD1-CA 3.32Å; Y209-P213 WeakPolarHBondContact CD2-O 3.4Å; Y209-P213 WeakPolarHBondContact CE2-O 3.44Å
214E98.4Very high97.8Very high89 Ų8970.6 Ų70.642%0.41636%0.358SS..PPolyproline II helixtrans-68.7166173.673.2-179.3153.200113.2N181 I200 K208 V216N181-E214 PolarHBondContact ND2-O 2.75Å; I200-E214 HydrophobicContact CD1-CG 3.71Å; K208-E214 HydrophobicContact CB-CB 3.69Å; K208-E214 HydrophobicContact CD-CB 3.4Å; K208-E214 VanDerWaalsContact CD-CB 3.4Å; K208-E214 HydrophobicContact CG-CB 4.22Å; K208-E214 IonicContact NZ-OE2 3.2Å; K208-E214 PolarHBondContact NZ-OE2 3.41Å; E214-V216 PolarHBondContact O-N 3.2Å
215V98.6Very high97.5Very high40 Ų4066.5 Ų66.524%0.24234%0.34CS..PPolyproline II helixtrans-62.8124.6174.4177.40000109.1A74 S75 A77 E217A74-V215 HydrophobicContact CB-CG1 3.95Å; S75-V215 WeakPolarHBondContact O-CG1 3.49Å; A77-V215 HydrophobicContact CB-CG2 3.57Å; V215-E217 HydrophobicContact CG1-CG 4.04Å
216V98.3Very high96.8Very high8 Ų864 Ų645%0.04832%0.324CS..PPolyproline II helixtrans-88.3132.916570.80000110A74 S75 N181 V183 Q198 I200 E214A74-V216 WeakPolarHBondContact CA-O 3.26Å; S75-V216 PolarHBondContact N-O 2.81Å; S75-V216 WeakPolarHBondContact OG-CG1 3.46Å; S75-V216 PolarHBondContact OG-N 3.12Å; S75-V216 PolarHBondContact OG-O 2.76Å; N181-V216 HydrophobicContact CB-CG1 4.09Å; V183-V216 HydrophobicContact CB-CG1 4.37Å; V183-V216 HydrophobicContact CG1-CG1 3.98Å; V183-V216 HydrophobicContact CG2-CG1 3.85Å; V183-V216 HydrophobicContact CG2-CG2 4.22Å; Q198-V216 HydrophobicContact CB-CG2 3.53Å; I200-V216 HydrophobicContact CD1-CB 3.86Å; I200-V216 HydrophobicContact CD1-CG2 4.21Å; I200-V216 HydrophobicContact CG1-CB 3.98Å; I200-V216 HydrophobicContact CG1-CG2 4.12Å; E214-V216 PolarHBondContact O-N 3.2Å
217E98.4Very high95.5Very high121 Ų12168.7 Ų68.757%0.56535%0.345SS*.EExtended strand (participates in β ladder)trans-119.7150.5177.1-60.3-164.7134.100110.8M73 A74 V215M73-E217 WeakPolarHBondContact O-CA 3.11Å; A74-E217 HydrophobicContact CB-CG 3.91Å; V215-E217 HydrophobicContact CG1-CG 4.04Å
218M98.6Very high95.3Very high19 Ų1970.6 Ų70.69%0.09435%0.354CS..EExtended strand (participates in β ladder)trans-148.9137.7175.6-178.8171.162.200109.7F71 K72 M73 V183 C185 F196 E197 Q198F71-M218 HydrophobicContact CE2-CE 3.91Å; F71-M218 HydrophobicContact CE2-CG 4.02Å; F71-M218 HydrophobicContact CZ-CE 4.22Å; F71-M218 HydrophobicContact CZ-CG 4.11Å; F71-M218 HydrophobicContact CZ-SD 4.45Å; K72-M218 WeakPolarHBondContact CA-O 3.13Å; M73-M218 HydrophobicContact CG-CB 4.22Å; M73-M218 HydrophobicContact CG-CE 4.25Å; M73-M218 PolarHBondContact N-O 2.85Å; M73-M218 PolarHBondContact O-N 3.22Å; M73-M218 HydrophobicContact SD-CE 3.58Å; M73-M218 VanDerWaalsContact SD-CE 3.58Å; V183-M218 HydrophobicContact CB-CE 4.41Å; V183-M218 HydrophobicContact CG2-CB 3.73Å; V183-M218 HydrophobicContact CG2-CE 4.14Å; C185-M218 HydrophobicContact CB-CE 4.3Å; F196-M218 VanDerWaalsContact CA-SD 3.52Å; F196-M218 HydrophobicContact CB-CE 3.92Å; F196-M218 HydrophobicContact CB-SD 3.82Å; F196-M218 WeakPolarHBondContact O-CE 3.23Å; E197-M218 PolarHBondContact N-SD 2.81Å; E197-M218 VanDerWaalsContact N-SD 3.36Å; Q198-M218 HydrophobicContact CG-CB 4.29Å; Q198-M218 HydrophobicContact CG-CG 4.37Å; Q198-M218 HydrophobicContact CG-SD 4.05Å
219E98.4Very high95.2Very high65 Ų6567.2 Ų67.230%0.30434%0.341SS..EExtended strand (participates in β ladder)trans-133.9155.6171.959.5179.3-129.400110.1I60 S61 F71 K72I60-E219 HydrophobicContact CG2-CB 3.88Å; S61-E219 VanDerWaalsContact CB-OE1 3.3Å; S61-E219 WeakPolarHBondContact CB-OE1 3.22Å; S61-E219 PolarHBondContact N-OE1 3.49Å; S61-E219 PolarHBondContact OG-OE1 2.8Å; F71-E219 WeakPolarHBondContact O-CA 3.49Å; K72-E219 HydrophobicContact CB-CB 4.21Å; K72-E219 HydrophobicContact CD-CB 4.46Å; K72-E219 WeakPolarHBondContact CE-OE2 3.41Å; K72-E219 HydrophobicContact CG-CB 4.1Å; K72-E219 IonicContact NZ-OE2 3.47Å; K72-E219 PolarHBondContact NZ-OE2 3.38Å
220G98.2Very high95.1Very high15 Ų1566.4 Ų66.416%0.15534%0.343CS..EExtended strand (participates in β ladder)trans178.3-169.5-179.800000114F71F71-G220 VanDerWaalsContact CD1-C 3.45Å; F71-G220 VanDerWaalsContact CD1-O 3.26Å; F71-G220 WeakPolarHBondContact CD1-O 3.28Å; F71-G220 VanDerWaalsContact CE1-C 3.42Å; F71-G220 PolarHBondContact N-O 3.48Å; F71-G220 PolarHBondContact O-N 3.3Å; F71-G220 VanDerWaalsContact O-N 3.08Å
221C98.4Very high95.1Very high24 Ų2459.2 Ų59.216%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-128.4110.3-176.3-58.30000108.9C64 H68 F69 F196C64-C221 WeakPolarHBondContact CA-SG 3.37Å; C64-C221 HydrophobicContact CB-CB 3.75Å; C64-C221 WeakPolarHBondContact CB-SG 3.38Å; C64-C221 VanDerWaalsContact SG-CA 3.57Å; C64-C221 WeakPolarHBondContact SG-CB 3.28Å; C64-C221 CovalentContact SG-SG 2.04Å; C64-C221 PolarHBondContact SG-SG 3.12Å; H68-C221 HydrophobicContact CB-CB 3.97Å; F69-C221 CarbonylContact O-C 3.56Å; F69-C221 WeakPolarHBondContact O-CA 3.1Å; F196-C221 VanDerWaalsContact CZ-O 3.28Å; F196-C221 WeakPolarHBondContact CZ-O 3.36Å
222I98.1Very high95Very high15 Ų1561.4 Ų61.48%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-84.3124.5-178.5-55.3162.6000108.4H68 F69 F71 L87 I144 C185 F196 Q224H68-I222 CarbonylContact C-O 3.58Å; H68-I222 WeakPolarHBondContact CA-O 3.5Å; F69-I222 HydrophobicContact CB-CB 4.4Å; F69-I222 PolarHBondContact N-O 3.02Å; F69-I222 PolarHBondContact O-N 3.05Å; F71-I222 HydrophobicContact CB-CD1 4.24Å; F71-I222 HydrophobicContact CD1-CD1 3.79Å; F71-I222 HydrophobicContact CD1-CG1 3.57Å; F71-I222 HydrophobicContact CE1-CD1 4.44Å; F71-I222 HydrophobicContact CE1-CG1 3.9Å; F71-I222 HydrophobicContact CG-CD1 4.16Å; F71-I222 HydrophobicContact CG-CG1 4.43Å; L87-I222 HydrophobicContact CD1-CD1 3.96Å; I144-I222 HydrophobicContact CD1-CD1 4.38Å; I144-I222 HydrophobicContact CD1-CG2 4.06Å; I144-I222 HydrophobicContact CG1-CG2 4.34Å; I144-I222 HydrophobicContact CG2-CD1 3.86Å; C185-I222 WeakPolarHBondContact SG-CD1 3.44Å; F196-I222 HydrophobicContact CE2-CG1 4.36Å; I222-Q224 PolarHBondContact O-N 3.27Å
223P96.9Very high94.7Very high83 Ų8363.1 Ų63.154%0.53933%0.326SS..EExtended strand (participates in β ladder)trans-59.3128.9174.5-2232.8000111.4K225P223-K225 PolarHBondContact O-N 3.05Å
224Q96.2Very high94.5Very high64 Ų6467.4 Ų67.430%0.29935%0.349SS..PPolyproline II helixtrans-69.7128.2175.9-178.4-175.530.800109.7K67 F69 K112 I222 Q226K67-Q224 HydrophobicContact CB-CB 4.32Å; K67-Q224 WeakPolarHBondContact O-CB 3.34Å; K67-Q224 PolarHBondContact O-N 2.78Å; F69-Q224 HydrophobicContact CE2-CB 3.95Å; F69-Q224 HydrophobicContact CE2-CG 3.86Å; F69-Q224 HydrophobicContact CZ-CB 4.18Å; F69-Q224 HydrophobicContact CZ-CG 3.73Å; K112-Q224 PolarHBondContact O-NE2 2.76Å; I222-Q224 PolarHBondContact O-N 3.27Å; Q224-Q226 PolarHBondContact O-N 3.02Å; Q224-Q226 PolarHBondContact O-NE2 2.88Å
225K90.8Very high94.2Very high102 Ų10265.8 Ų65.844%0.44334%0.343SS..PPolyproline II helixtrans-63.1124175.7-169.4175.4-178.9-179.90109.2G111 K112 P223G111-K225 WeakPolarHBondContact O-CB 3.26Å; G111-K225 PolarHBondContact O-N 3.24Å; K112-K225 HydrophobicContact CG-CB 4.27Å; P223-K225 PolarHBondContact O-N 3.05Å
226Q84.3Confident93.8Very high95 Ų9567.9 Ų67.944%0.44435%0.352SS..PPolyproline II helixtrans-94.4162.7169.9-53.6-64.1-59.800109.1Q224Q224-Q226 PolarHBondContact O-N 3.02Å; Q224-Q226 PolarHBondContact O-NE2 2.88Å
227D68.9Low93.4Very high204 Ų20473.4 Ų73.4100%1.09138%0.379SS*.  trans-630172.5-68.5-37.5000112.5K112K112-D227 WeakPolarHBondContact CE-OD1 3.45Å; K112-D227 IonicContact NZ-OD1 3.73Å; K112-D227 PolarHBondContact NZ-OD1 3.1Å

Retrieved 227 of 227 residues in 73.3 ms (Link to these results)

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