A0A5K4F2C4_SCHMA Loading...

Alpha N-terminal protein methyltransferase 1

AlphaFold DB , UniProt , Accession A0A5K4F2C4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 255 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
1M36.3Very low51.1Low241 Ų241114.3 Ų114.3100%1.18768%0.684SS**  0137.60-71.6174.9-174.200107.4
2S36.2Very low54.4Low109 Ų109117.6 Ų117.676%0.76271%0.705SS**  trans-57.4132.8179.3-1790000110S4S2-S4 PolarHBondContact O-N 3.27Å
3I39.6Very low57.5Low168 Ų168114 Ų11486%0.86268%0.684SS**  trans-74.680174.1-52.2172000106.3
4S36.5Very low60.4Low92 Ų92105.9 Ų105.964%0.64364%0.635SS**  trans-82.7127.7175.958.30000109.1S2S2-S4 PolarHBondContact O-N 3.27Å
5Q34.3Very low62.9Low155 Ų155103.9 Ų103.972%0.72461%0.613SS**SBendtrans89.3113.5179.6-53.1-76.1-43.300113.3
6P34.1Very low65Low105 Ų105101.2 Ų101.268%0.68260%0.601SS**  trans-58151.5157.728-30.7000107.8V8P6-V8 PolarHBondContact O-N 3.17Å; P6-V8 VanDerWaalsContact O-N 3.13Å
7P48.1Very low67Low121 Ų12199.1 Ų99.179%0.78658%0.582SS**  trans-48.9129.6174.420.5-30.7000107.7G9P7-G9 VanDerWaalsContact C-N 3.27Å; P7-G9 PolarHBondContact O-N 2.78Å
8V55.6Low68.7Low119 Ų11993.8 Ų93.872%0.72155%0.552SS**  trans-52.9102.2173.8177.10000105.3P6 T10P6-V8 PolarHBondContact O-N 3.17Å; P6-V8 VanDerWaalsContact O-N 3.13Å; V8-T10 PolarHBondContact O-N 3.19Å
9G71.4Confident70.2Confident57 Ų5795.1 Ų95.159%0.58855%0.55SS*.PPolyproline II helixtrans-57.5141.6-174.200000108.3P7 P11P7-G9 VanDerWaalsContact C-N 3.27Å; P7-G9 PolarHBondContact O-N 2.78Å; G9-P11 WeakPolarHBondContact O-CD 3.17Å; G9-P11 VanDerWaalsContact O-N 3.1Å
10T82Confident71.6Confident52 Ų5295.1 Ų95.132%0.31955%0.547SS..PPolyproline II helixtrans-48.3122.8177.5-58.40000109.7V8 F14 Y193V8-T10 PolarHBondContact O-N 3.19Å; T10-F14 HydrophobicContact CG2-CB 3.42Å; T10-F14 VanDerWaalsContact CG2-CB 3.42Å; T10-F14 HydrophobicContact CG2-CD1 3.52Å; T10-F14 HydrophobicContact CG2-CD2 3.76Å; T10-F14 HydrophobicContact CG2-CE1 4.16Å; T10-F14 HydrophobicContact CG2-CE2 4.37Å; T10-F14 HydrophobicContact CG2-CG 3.29Å; T10-Y193 VanDerWaalsContact CA-OH 3.31Å; T10-Y193 WeakPolarHBondContact CA-OH 3.47Å; T10-Y193 HydrophobicContact CG2-CE2 4.33Å; T10-Y193 PolarHBondContact OG1-OH 2.9Å
11P88.5Confident72.9Confident38 Ų3893.3 Ų93.325%0.24753%0.532CS..PPolyproline II helixtrans-53.7143.7-176.2-28.735.1000111.6G9 T13 F14 F186G9-P11 WeakPolarHBondContact O-CD 3.17Å; G9-P11 VanDerWaalsContact O-N 3.1Å; P11-T13 PolarHBondContact O-N 3.32Å; P11-F14 WeakPolarHBondContact O-CB 3.17Å; P11-F14 PolarHBondContact O-N 2.99Å; P11-F186 HydrophobicContact CG-CE1 3.89Å; P11-F186 HydrophobicContact CG-CZ 3.9Å
12V90.7Very high75.9Confident154 Ų15483.7 Ų83.793%0.93348%0.482SS*.THydrogen-bonded Turntrans-59.7-23.6179.2-62.90000112.9
13T94.9Very high78.8Confident71 Ų7181.8 Ų81.844%0.43647%0.469SS..THydrogen-bonded Turntrans-94.45.817752.40000113.6P11 Y15 S16 K17P11-T13 PolarHBondContact O-N 3.32Å; T13-Y15 PolarHBondContact O-N 2.72Å; T13-S16 PolarHBondContact O-N 3.04Å; T13-S16 VanDerWaalsContact O-N 3.16Å; T13-S16 PolarHBondContact O-OG 3.02Å; T13-S16 VanDerWaalsContact O-OG 3.05Å; T13-K17 WeakPolarHBondContact O-CB 3.47Å; T13-K17 PolarHBondContact O-N 2.71Å
14F96.8Very high81.6Confident1 Ų180.7 Ų80.70%0.00446%0.46CS..Hα-helixtrans-50.4-54.5-171.7173.7-105.1000113.1T10 P11 A18 H138 F186 S191 Y193T10-F14 HydrophobicContact CG2-CB 3.42Å; T10-F14 VanDerWaalsContact CG2-CB 3.42Å; T10-F14 HydrophobicContact CG2-CD1 3.52Å; T10-F14 HydrophobicContact CG2-CD2 3.76Å; T10-F14 HydrophobicContact CG2-CE1 4.16Å; T10-F14 HydrophobicContact CG2-CE2 4.37Å; T10-F14 HydrophobicContact CG2-CG 3.29Å; P11-F14 WeakPolarHBondContact O-CB 3.17Å; P11-F14 PolarHBondContact O-N 2.99Å; F14-A18 PolarHBondContact O-N 3.21Å; F14-H138 VanDerWaalsContact CE1-O 3.26Å; F14-H138 WeakPolarHBondContact CE1-O 3.2Å; F14-F186 AromaticContact CD2-CE2 3.68Å; F14-F186 HydrophobicContact CD2-CE2 3.68Å; F14-F186 HydrophobicContact CD2-CZ 4.09Å; F14-F186 AromaticContact CE2-CE2 3.7Å; F14-F186 HydrophobicContact CE2-CE2 3.7Å; F14-S191 WeakPolarHBondContact CA-OG 3.49Å; F14-S191 WeakPolarHBondContact CD2-O 3.36Å; F14-S191 VanDerWaalsContact CD2-OG 3.26Å; F14-S191 WeakPolarHBondContact CD2-OG 3.44Å; F14-S191 WeakPolarHBondContact CE2-O 3.49Å; F14-S191 PolarHBondContact O-OG 2.96Å; F14-Y193 HydrophobicContact CD2-CE2 4.12Å; F14-Y193 AromaticContact CE2-CD2 3.67Å; F14-Y193 HydrophobicContact CE2-CD2 3.67Å; F14-Y193 AromaticContact CE2-CE2 3.41Å; F14-Y193 HydrophobicContact CE2-CE2 3.41Å; F14-Y193 VanDerWaalsContact CE2-CE2 3.41Å; F14-Y193 AromaticContact CZ-CD2 3.77Å; F14-Y193 HydrophobicContact CZ-CD2 3.77Å; F14-Y193 AromaticContact CZ-CE2 3.71Å; F14-Y193 HydrophobicContact CZ-CE2 3.71Å
15Y97.9Very high84.5Confident75 Ų7577.3 Ų77.329%0.29444%0.436SS..Hα-helixtrans-70.7-37.5179.8-63.8-65.8000113.6T13 K19 Q118 H138 L139 S140 A143T13-Y15 PolarHBondContact O-N 2.72Å; Y15-K19 WeakPolarHBondContact O-CB 3.4Å; Y15-K19 PolarHBondContact O-N 2.74Å; Y15-Q118 HydrophobicContact CD1-CB 4.46Å; Y15-Q118 HydrophobicContact CD1-CG 4.03Å; Y15-Q118 HydrophobicContact CE1-CB 3.72Å; Y15-Q118 HydrophobicContact CE1-CG 3.77Å; Y15-Q118 HydrophobicContact CE2-CG 4.43Å; Y15-Q118 HydrophobicContact CG-CG 4.48Å; Y15-H138 VanDerWaalsContact CE1-O 3.28Å; Y15-H138 WeakPolarHBondContact CE1-O 3.4Å; Y15-L139 HydrophobicContact CE1-CD2 4.33Å; Y15-S140 PolarHBondContact OH-N 3.44Å; Y15-S140 PolarHBondContact OH-OG 2.88Å; Y15-A143 WeakPolarHBondContact OH-CB 3.12Å
16S97.6Very high87.6Confident61 Ų6173.9 Ų73.943%0.42743%0.427SS..Hα-helixtrans-71.1-35.3-179.256.80000111.9T13 K19 I20T13-S16 PolarHBondContact O-N 3.04Å; T13-S16 VanDerWaalsContact O-N 3.16Å; T13-S16 PolarHBondContact O-OG 3.02Å; T13-S16 VanDerWaalsContact O-OG 3.05Å; S16-K19 PolarHBondContact O-N 2.82Å; S16-I20 WeakPolarHBondContact O-CD1 3.33Å; S16-I20 VanDerWaalsContact O-CG1 3.25Å; S16-I20 WeakPolarHBondContact O-CG1 3.46Å; S16-I20 PolarHBondContact O-N 2.96Å
17K97.9Very high90.6Very high65 Ų6570.1 Ų70.128%0.28340%0.404SS..Hα-helixtrans-67.9-46.8176.3-171.2175.2175.8-177.40111.6T13 K19 I20 Y21 E188T13-K17 WeakPolarHBondContact O-CB 3.47Å; T13-K17 PolarHBondContact O-N 2.71Å; K17-K19 VanDerWaalsContact C-N 3.33Å; K17-K19 PolarHBondContact O-N 2.95Å; K17-I20 PolarHBondContact O-N 3.35Å; K17-Y21 PolarHBondContact O-N 3.5Å; K17-E188 WeakPolarHBondContact CE-O 3.37Å; K17-E188 PolarHBondContact NZ-O 3.16Å; K17-E188 IonicContact NZ-OE2 2.73Å; K17-E188 PolarHBondContact NZ-OE2 3.07Å
18A97.8Very high93Very high4 Ų467.4 Ų67.43%0.03339%0.386CS..Hα-helixtrans-58.1-44.8173.500000111.7F14 I20 Y21 W22 D190F14-A18 PolarHBondContact O-N 3.21Å; A18-I20 VanDerWaalsContact C-N 3.34Å; A18-I20 PolarHBondContact O-N 2.92Å; A18-Y21 PolarHBondContact O-N 2.97Å; A18-W22 VanDerWaalsContact O-CD1 3.25Å; A18-W22 PolarHBondContact O-N 3.04Å; A18-D190 WeakPolarHBondContact CA-O 3.24Å; A18-D190 WeakPolarHBondContact CB-O 3.29Å
19K98.3Very high95Very high118 Ų11863.4 Ų63.451%0.51336%0.361SS..Hα-helixtrans-59.5-42.8176.3-173.3173.8-178.3172.90112.7Y15 S16 K17 S23 L89Y15-K19 WeakPolarHBondContact O-CB 3.4Å; Y15-K19 PolarHBondContact O-N 2.74Å; S16-K19 PolarHBondContact O-N 2.82Å; K17-K19 VanDerWaalsContact C-N 3.33Å; K17-K19 PolarHBondContact O-N 2.95Å; K19-S23 WeakPolarHBondContact O-CB 3.27Å; K19-S23 PolarHBondContact O-N 3.45Å; K19-S23 VanDerWaalsContact O-N 3.08Å; K19-L89 HydrophobicContact CB-CD2 3.93Å; K19-L89 HydrophobicContact CD-CD1 4.33Å; K19-L89 HydrophobicContact CG-CD1 4.4Å; K19-L89 HydrophobicContact CG-CD2 4.16Å; K19-L89 HydrophobicContact CG-CG 4.26Å
20I98.5Very high96.2Very high96 Ų9664.5 Ų64.549%0.49235%0.354SS..Hα-helixtrans-65.3-47.3177.7-70.9163.8000110.3S16 K17 A18 W22 S23 Q24S16-I20 WeakPolarHBondContact O-CD1 3.33Å; S16-I20 VanDerWaalsContact O-CG1 3.25Å; S16-I20 WeakPolarHBondContact O-CG1 3.46Å; S16-I20 PolarHBondContact O-N 2.96Å; K17-I20 PolarHBondContact O-N 3.35Å; A18-I20 VanDerWaalsContact C-N 3.34Å; A18-I20 PolarHBondContact O-N 2.92Å; I20-W22 PolarHBondContact O-N 2.69Å; I20-S23 PolarHBondContact O-N 2.9Å; I20-S23 PolarHBondContact O-OG 3.44Å; I20-Q24 WeakPolarHBondContact O-CG 3.33Å; I20-Q24 PolarHBondContact O-N 3.26Å
21Y98.4Very high97Very high58 Ų5862.3 Ų62.323%0.22734%0.342CS..Hα-helixtrans-53.8-56.5178.1174.8-92.4000111.2K17 A18 S23 Q24 V25 I189 D190K17-Y21 PolarHBondContact O-N 3.5Å; A18-Y21 PolarHBondContact O-N 2.97Å; Y21-S23 VanDerWaalsContact C-N 3.28Å; Y21-S23 PolarHBondContact O-N 3.18Å; Y21-Q24 WeakPolarHBondContact O-CB 3.28Å; Y21-Q24 PolarHBondContact O-N 2.85Å; Y21-V25 HydrophobicContact CD1-CG2 4.2Å; Y21-V25 HydrophobicContact CE1-CG2 3.75Å; Y21-V25 PolarHBondContact O-N 3.31Å; Y21-I189 HydrophobicContact CD2-CG2 4.12Å; Y21-I189 WeakPolarHBondContact CD2-O 3.42Å; Y21-I189 HydrophobicContact CE2-CG2 3.66Å; Y21-D190 HydrophobicContact CD1-CB 3.58Å; Y21-D190 HydrophobicContact CD2-CB 4.12Å; Y21-D190 HydrophobicContact CE1-CB 3.58Å; Y21-D190 HydrophobicContact CE2-CB 4.12Å; Y21-D190 HydrophobicContact CG-CB 3.86Å
22W98.4Very high97.4Very high38 Ų3861.9 Ų61.914%0.14434%0.337CS..Hα-helixtrans-65.9-29.2-177.7-74111.5000113.2A18 I20 Q24 V25 M32 F93 H138A18-W22 VanDerWaalsContact O-CD1 3.25Å; A18-W22 PolarHBondContact O-N 3.04Å; I20-W22 PolarHBondContact O-N 2.69Å; W22-Q24 PolarHBondContact O-N 2.88Å; W22-Q24 VanDerWaalsContact O-N 3.17Å; W22-V25 HydrophobicContact CE3-CB 4.1Å; W22-V25 HydrophobicContact CE3-CG1 4.24Å; W22-V25 HydrophobicContact CE3-CG2 3.94Å; W22-V25 HydrophobicContact CZ3-CG1 4.19Å; W22-V25 HydrophobicContact CZ3-CG2 4.3Å; W22-V25 PolarHBondContact O-N 3.31Å; W22-M32 HydrophobicContact CE3-CE 4.47Å; W22-M32 HydrophobicContact CZ3-CE 4.23Å; W22-F93 HydrophobicContact CB-CE2 4.34Å; W22-F93 AromaticContact CE3-CE2 3.98Å; W22-F93 HydrophobicContact CE3-CE2 3.98Å; W22-F93 HydrophobicContact CE3-CZ 4.28Å; W22-F93 WeakPolarHBondContact O-CZ 3.46Å; W22-H138 AromaticContact CE2-NE2 3.66Å; W22-H138 AromaticContact CZ2-NE2 3.77Å; W22-H138 AromaticContact NE1-CD2 3.78Å; W22-H138 AromaticContact NE1-CE1 3.25Å; W22-H138 PolarHBondContact NE1-CE1 3.35Å; W22-H138 VanDerWaalsContact NE1-CE1 3.25Å; W22-H138 AromaticContact NE1-NE2 2.96Å; W22-H138 PolarHBondContact NE1-NE2 3.42Å
23S97.8Very high97.7Very high69 Ų6955 Ų5548%0.48329%0.294SS..Hα-helixtrans-64.7-17.3173.475.90000114.3K19 I20 Y21K19-S23 WeakPolarHBondContact O-CB 3.27Å; K19-S23 PolarHBondContact O-N 3.45Å; K19-S23 VanDerWaalsContact O-N 3.08Å; I20-S23 PolarHBondContact O-N 2.9Å; I20-S23 PolarHBondContact O-OG 3.44Å; Y21-S23 VanDerWaalsContact C-N 3.28Å; Y21-S23 PolarHBondContact O-N 3.18Å
24Q98.1Very high97.8Very high145 Ų14554.9 Ų54.968%0.67830%0.297SS*.Hα-helixtrans-100.2-13.5-179.8-63.8171.60.100112.9I20 Y21 W22I20-Q24 WeakPolarHBondContact O-CG 3.33Å; I20-Q24 PolarHBondContact O-N 3.26Å; Y21-Q24 WeakPolarHBondContact O-CB 3.28Å; Y21-Q24 PolarHBondContact O-N 2.85Å; W22-Q24 PolarHBondContact O-N 2.88Å; W22-Q24 VanDerWaalsContact O-N 3.17Å
25V98.4Very high97.7Very high22 Ų2256.7 Ų56.713%0.13332%0.316CS..SBendtrans-72.9134.5177.9171.50000109.3Y21 W22 G31 M32 F93Y21-V25 HydrophobicContact CD1-CG2 4.2Å; Y21-V25 HydrophobicContact CE1-CG2 3.75Å; Y21-V25 PolarHBondContact O-N 3.31Å; W22-V25 HydrophobicContact CE3-CB 4.1Å; W22-V25 HydrophobicContact CE3-CG1 4.24Å; W22-V25 HydrophobicContact CE3-CG2 3.94Å; W22-V25 HydrophobicContact CZ3-CG1 4.19Å; W22-V25 HydrophobicContact CZ3-CG2 4.3Å; W22-V25 PolarHBondContact O-N 3.31Å; V25-G31 WeakPolarHBondContact CG1-O 3.15Å; V25-M32 HydrophobicContact CG1-CE 3.88Å; V25-F93 HydrophobicContact CB-CZ 4.07Å; V25-F93 HydrophobicContact CG1-CZ 4.29Å; V25-F93 VanDerWaalsContact O-CE1 3.32Å; V25-F93 WeakPolarHBondContact O-CE1 3.21Å
26P97.9Very high97.7Very high83 Ų8358.8 Ų58.854%0.53932%0.324SS..  trans-60139.4174.9-2534.9000112.2T28P26-T28 HydrophobicContact CB-CG2 4.31Å; P26-T28 PolarHBondContact O-N 2.72Å
27A98Very high97.7Very high26 Ų2659.1 Ų59.122%0.21532%0.324CS..SBendtrans-7560.6177.100000111.7I69 F93 Q96A27-I69 HydrophobicContact CB-CG2 3.89Å; A27-F93 HydrophobicContact CB-CD1 3.7Å; A27-F93 HydrophobicContact CB-CE1 4.11Å; A27-Q96 HydrophobicContact CB-CB 3.9Å; A27-Q96 HydrophobicContact CB-CG 3.92Å; A27-Q96 WeakPolarHBondContact O-CG 3.21Å
28T98Very high97.7Very high64 Ų6460.4 Ų60.439%0.39334%0.341SS..SBendtrans-134.2163.2-177.866.40000110.2P26 D30 G31 M32P26-T28 HydrophobicContact CB-CG2 4.31Å; P26-T28 PolarHBondContact O-N 2.72Å; T28-D30 PolarHBondContact O-N 2.99Å; T28-D30 PolarHBondContact OG1-N 2.74Å; T28-G31 PolarHBondContact O-N 3.15Å; T28-G31 VanDerWaalsContact O-N 3.13Å; T28-G31 PolarHBondContact OG1-N 2.94Å; T28-G31 VanDerWaalsContact OG1-N 3.08Å; T28-M32 WeakPolarHBondContact O-CG 3.4Å; T28-M32 PolarHBondContact O-N 3.33Å
29V96.9Very high97.7Very high34 Ų3460.8 Ų60.821%0.20634%0.342CS..Hα-helixtrans-57.5-35.5173.3177.40000111.1M32 L33 T37 I69 Y100V29-M32 PolarHBondContact O-N 2.72Å; V29-L33 HydrophobicContact CG1-CD1 3.81Å; V29-L33 HydrophobicContact CG1-CG 4.48Å; V29-L33 WeakPolarHBondContact O-CB 3.25Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.27Å; V29-L33 VanDerWaalsContact O-N 3.09Å; V29-T37 HydrophobicContact CG1-CG2 4.31Å; V29-I69 HydrophobicContact CG2-CD1 4.22Å; V29-Y100 HydrophobicContact CG2-CD2 4.31Å; V29-Y100 HydrophobicContact CG2-CE2 3.38Å
30D98.2Very high97.7Very high80 Ų8056.1 Ų56.143%0.42832%0.323SS..Hα-helixtrans-63.5-45.6175.5-169.176.3000112.1T28 L33 S34 G35 T37T28-D30 PolarHBondContact O-N 2.99Å; T28-D30 PolarHBondContact OG1-N 2.74Å; D30-L33 CarbonylContact O-C 3.47Å; D30-L33 PolarHBondContact O-N 2.88Å; D30-S34 PolarHBondContact O-N 3.47Å; D30-G35 PolarHBondContact O-N 2.83Å; D30-G35 WeakPolarHBondContact OD1-CA 3.2Å; D30-T37 VanDerWaalsContact CA-CG2 3.49Å; D30-T37 HydrophobicContact CB-CG2 3.76Å; D30-T37 WeakPolarHBondContact OD1-CG2 3.47Å
31G97.6Very high97.7Very high7 Ų756.9 Ų56.97%0.07233%0.332CS..Hα-helixtrans-62.9-42.5174.700000112.9V25 T28 L33 S34V25-G31 WeakPolarHBondContact CG1-O 3.15Å; T28-G31 PolarHBondContact O-N 3.15Å; T28-G31 VanDerWaalsContact O-N 3.13Å; T28-G31 PolarHBondContact OG1-N 2.94Å; T28-G31 VanDerWaalsContact OG1-N 3.08Å; G31-L33 PolarHBondContact O-N 2.84Å; G31-S34 PolarHBondContact O-N 3.23Å
32M97.5Very high97.7Very high28 Ų2855 Ų5514%0.13833%0.327CS..Hα-helixtrans-69.4-20.5-180-63-57.693.100113.3W22 V25 T28 V29 I69 F93W22-M32 HydrophobicContact CE3-CE 4.47Å; W22-M32 HydrophobicContact CZ3-CE 4.23Å; V25-M32 HydrophobicContact CG1-CE 3.88Å; T28-M32 WeakPolarHBondContact O-CG 3.4Å; T28-M32 PolarHBondContact O-N 3.33Å; V29-M32 PolarHBondContact O-N 2.72Å; M32-I69 HydrophobicContact CG-CD1 4.41Å; M32-I69 HydrophobicContact CG-CG1 4.03Å; M32-I69 HydrophobicContact CG-CG2 4.49Å; M32-F93 HydrophobicContact CE-CD1 4.11Å; M32-F93 HydrophobicContact CE-CD2 3.91Å; M32-F93 HydrophobicContact CE-CE1 3.68Å; M32-F93 HydrophobicContact CE-CE2 3.47Å; M32-F93 VanDerWaalsContact CE-CE2 3.47Å; M32-F93 HydrophobicContact CE-CG 4.23Å; M32-F93 HydrophobicContact CE-CZ 3.34Å; M32-F93 HydrophobicContact SD-CD2 4.12Å; M32-F93 HydrophobicContact SD-CE2 4.17Å
33L97.5Very high97.7Very high9 Ų953.2 Ų53.25%0.04732%0.32CS..THydrogen-bonded Turntrans-110.415.7178.6-63.9178000112.2V29 D30 G31 G35 Y36 N40 W134V29-L33 HydrophobicContact CG1-CD1 3.81Å; V29-L33 HydrophobicContact CG1-CG 4.48Å; V29-L33 WeakPolarHBondContact O-CB 3.25Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.27Å; V29-L33 VanDerWaalsContact O-N 3.09Å; D30-L33 CarbonylContact O-C 3.47Å; D30-L33 PolarHBondContact O-N 2.88Å; G31-L33 PolarHBondContact O-N 2.84Å; L33-G35 PolarHBondContact O-N 3.16Å; L33-G35 VanDerWaalsContact O-N 3.14Å; L33-Y36 WeakPolarHBondContact O-CB 3.39Å; L33-Y36 WeakPolarHBondContact O-CD2 3.2Å; L33-Y36 PolarHBondContact O-N 3.28Å; L33-N40 HydrophobicContact CD1-CB 3.79Å; L33-W134 HydrophobicContact CD2-CH2 4.45Å; L33-W134 HydrophobicContact CD2-CZ3 3.64Å
34S95.3Very high97.7Very high70 Ų7050.7 Ų50.749%0.4930%0.301SS..THydrogen-bonded Turntrans50.838.7178-55.10000113.9D30 G31 Y36D30-S34 PolarHBondContact O-N 3.47Å; G31-S34 PolarHBondContact O-N 3.23Å; S34-Y36 WeakPolarHBondContact O-CD2 3.39Å; S34-Y36 WeakPolarHBondContact O-CE2 3.39Å
35G96.7Very high97.8Very high39 Ų3945.6 Ų45.640%0.40228%0.283SS..THydrogen-bonded Turntrans88.9-3.4-178.500000115.3D30 L33 T37D30-G35 PolarHBondContact O-N 2.83Å; D30-G35 WeakPolarHBondContact OD1-CA 3.2Å; L33-G35 PolarHBondContact O-N 3.16Å; L33-G35 VanDerWaalsContact O-N 3.14Å; G35-T37 PolarHBondContact O-N 3.06Å
36Y97Very high97.8Very high119 Ų11944.9 Ų44.947%0.46728%0.279SS..  trans-102.954.2-174.5-55.8-69.9000112.5L33 S34 S38 L39 F224L33-Y36 WeakPolarHBondContact O-CB 3.39Å; L33-Y36 WeakPolarHBondContact O-CD2 3.2Å; L33-Y36 PolarHBondContact O-N 3.28Å; S34-Y36 WeakPolarHBondContact O-CD2 3.39Å; S34-Y36 WeakPolarHBondContact O-CE2 3.39Å; Y36-S38 PolarHBondContact O-N 2.88Å; Y36-L39 HydrophobicContact CG-CD1 4.41Å; Y36-L39 VanDerWaalsContact O-CB 3.31Å; Y36-L39 WeakPolarHBondContact O-CB 3.36Å; Y36-L39 WeakPolarHBondContact O-CG 3.39Å; Y36-L39 PolarHBondContact O-N 2.7Å; Y36-F224 HydrophobicContact CD1-CE1 4.09Å; Y36-F224 AromaticContact CD1-CZ 3.48Å; Y36-F224 HydrophobicContact CD1-CZ 3.48Å; Y36-F224 VanDerWaalsContact CD1-CZ 3.48Å; Y36-F224 AromaticContact CD2-CE1 3.69Å; Y36-F224 HydrophobicContact CD2-CE1 3.69Å; Y36-F224 AromaticContact CD2-CZ 3.97Å; Y36-F224 HydrophobicContact CD2-CZ 3.97Å; Y36-F224 HydrophobicContact CE1-CE1 4.2Å; Y36-F224 AromaticContact CE1-CZ 3.56Å; Y36-F224 HydrophobicContact CE1-CZ 3.56Å; Y36-F224 AromaticContact CE2-CE1 3.83Å; Y36-F224 HydrophobicContact CE2-CE1 3.83Å; Y36-F224 HydrophobicContact CE2-CZ 4.06Å; Y36-F224 AromaticContact CG-CE1 3.8Å; Y36-F224 HydrophobicContact CG-CE1 3.8Å; Y36-F224 AromaticContact CG-CZ 3.67Å; Y36-F224 HydrophobicContact CG-CZ 3.67Å; Y36-F224 AromaticContact CZ-CZ 3.84Å
37T97.3Very high97.8Very high68 Ų6841 Ų4142%0.41725%0.254SS..G310 helixtrans-57.3-24-179.653.20000114.2V29 D30 G35 L39 N40V29-T37 HydrophobicContact CG1-CG2 4.31Å; D30-T37 VanDerWaalsContact CA-CG2 3.49Å; D30-T37 HydrophobicContact CB-CG2 3.76Å; D30-T37 WeakPolarHBondContact OD1-CG2 3.47Å; G35-T37 PolarHBondContact O-N 3.06Å; T37-L39 PolarHBondContact O-N 3.02Å; T37-N40 VanDerWaalsContact O-CB 3.31Å; T37-N40 WeakPolarHBondContact O-CB 3.2Å; T37-N40 PolarHBondContact O-N 2.82Å; T37-N40 VanDerWaalsContact O-N 3.08Å
38S97.2Very high97.9Very high92 Ų9243.3 Ų43.364%0.64326%0.26SS*.G310 helixtrans-61.4-20.7173.156.90000113.8Y36 N40 P42Y36-S38 PolarHBondContact O-N 2.88Å; S38-N40 VanDerWaalsContact C-N 3.29Å; S38-P42 WeakPolarHBondContact O-CD 3.43Å
39L97.9Very high97.9Very high11 Ų1145.5 Ų45.56%0.05827%0.267CS..G310 helixtrans-73.6-20.2175.4-59-178.9000112.7Y36 T37 V41 P42 D43 F220 F224Y36-L39 HydrophobicContact CG-CD1 4.41Å; Y36-L39 VanDerWaalsContact O-CB 3.31Å; Y36-L39 WeakPolarHBondContact O-CB 3.36Å; Y36-L39 WeakPolarHBondContact O-CG 3.39Å; Y36-L39 PolarHBondContact O-N 2.7Å; T37-L39 PolarHBondContact O-N 3.02Å; L39-V41 PolarHBondContact O-N 2.96Å; L39-P42 VanDerWaalsContact O-CD 3.29Å; L39-P42 WeakPolarHBondContact O-CD 3.39Å; L39-P42 WeakPolarHBondContact O-CG 3.46Å; L39-D43 WeakPolarHBondContact O-CB 3.36Å; L39-D43 PolarHBondContact O-N 2.86Å; L39-F220 HydrophobicContact CB-CE1 4.11Å; L39-F220 HydrophobicContact CB-CE2 4.34Å; L39-F220 HydrophobicContact CB-CZ 3.86Å; L39-F220 HydrophobicContact CD1-CD2 4.44Å; L39-F220 HydrophobicContact CD1-CE2 4.05Å; L39-F220 HydrophobicContact CD1-CZ 4.4Å; L39-F220 HydrophobicContact CD2-CD1 3.91Å; L39-F220 HydrophobicContact CD2-CD2 3.96Å; L39-F220 HydrophobicContact CD2-CE1 4.05Å; L39-F220 HydrophobicContact CD2-CE2 4.08Å; L39-F220 HydrophobicContact CD2-CG 3.86Å; L39-F220 HydrophobicContact CD2-CZ 4.14Å; L39-F220 HydrophobicContact CG-CE2 4.38Å; L39-F220 HydrophobicContact CG-CZ 4.35Å; L39-F224 HydrophobicContact CD1-CD1 4.25Å; L39-F224 HydrophobicContact CD1-CE1 3.82Å; L39-F224 HydrophobicContact CD1-CZ 4.31Å
40N98.5Very high98Very high21 Ų2144 Ų4411%0.11226%0.258CS..Hα-helixtrans-59.1-46.7-171.8-178.272000113L33 T37 S38 D43 I44 R71 Q75L33-N40 HydrophobicContact CD1-CB 3.79Å; T37-N40 VanDerWaalsContact O-CB 3.31Å; T37-N40 WeakPolarHBondContact O-CB 3.2Å; T37-N40 PolarHBondContact O-N 2.82Å; T37-N40 VanDerWaalsContact O-N 3.08Å; S38-N40 VanDerWaalsContact C-N 3.29Å; N40-D43 PolarHBondContact O-N 2.83Å; N40-I44 VanDerWaalsContact O-CG1 3.32Å; N40-I44 WeakPolarHBondContact O-CG1 3.35Å; N40-I44 PolarHBondContact O-N 3.5Å; N40-R71 WeakPolarHBondContact OD1-CD 3.45Å; N40-R71 PolarHBondContact OD1-NH1 3.11Å; N40-Q75 PolarHBondContact ND2-OE1 3.46Å; N40-Q75 PolarHBondContact OD1-NE2 2.9Å
41V98.5Very high98Very high111 Ų11140.8 Ų40.867%0.67324%0.24SC*.Hα-helixtrans-64.6-54.2-178.4175.50000112.1L39 D43 I44 A45L39-V41 PolarHBondContact O-N 2.96Å; V41-D43 VanDerWaalsContact C-N 3.26Å; V41-D43 PolarHBondContact O-N 3.27Å; V41-I44 PolarHBondContact O-N 2.84Å; V41-A45 WeakPolarHBondContact O-CB 3.41Å; V41-A45 PolarHBondContact O-N 3.49Å
42P98.6Very high98.1Very high20 Ų2045.9 Ų45.913%0.1327%0.266CS..Hα-helixtrans-64.3-31.2177.223-32000112.9S38 L39 D46 Q217 N219 F220S38-P42 WeakPolarHBondContact O-CD 3.43Å; L39-P42 VanDerWaalsContact O-CD 3.29Å; L39-P42 WeakPolarHBondContact O-CD 3.39Å; L39-P42 WeakPolarHBondContact O-CG 3.46Å; P42-D46 PolarHBondContact O-N 3.4Å; P42-D46 VanDerWaalsContact O-N 3.16Å; P42-Q217 VanDerWaalsContact C-NE2 3.35Å; P42-Q217 PolarHBondContact O-NE2 3.46Å; P42-N219 HydrophobicContact CB-CB 3.82Å; P42-F220 HydrophobicContact CB-CD1 4.12Å; P42-F220 HydrophobicContact CB-CE1 3.99Å; P42-F220 HydrophobicContact CG-CD1 4.01Å; P42-F220 HydrophobicContact CG-CE1 3.81Å
43D98.8Very high98.1Very high0 Ų049.7 Ų49.70%028%0.284CS..Hα-helixtrans-60.7-49.3174.8179.258.6000111.7L39 N40 V41 S47 R71 Q133 K164 F220L39-D43 WeakPolarHBondContact O-CB 3.36Å; L39-D43 PolarHBondContact O-N 2.86Å; N40-D43 PolarHBondContact O-N 2.83Å; V41-D43 VanDerWaalsContact C-N 3.26Å; V41-D43 PolarHBondContact O-N 3.27Å; D43-S47 WeakPolarHBondContact O-CB 3.47Å; D43-S47 PolarHBondContact O-N 2.87Å; D43-S47 PolarHBondContact O-OG 2.95Å; D43-R71 IonicContact OD2-CZ 2.75Å; D43-R71 VanDerWaalsContact OD2-CZ 3.23Å; D43-R71 IonicContact OD2-NH1 3.35Å; D43-R71 PolarHBondContact OD2-NH1 3.31Å; D43-R71 IonicContact OD2-NH2 3.13Å; D43-R71 PolarHBondContact OD2-NH2 2.8Å; D43-Q133 VanDerWaalsContact CG-NE2 3.27Å; D43-Q133 PolarHBondContact OD1-NE2 2.99Å; D43-Q133 PolarHBondContact OD2-NE2 3.27Å; D43-K164 PolarHBondContact O-NZ 3.42Å; D43-K164 WeakPolarHBondContact OD1-CE 3.46Å; D43-K164 IonicContact OD1-NZ 2.69Å; D43-K164 PolarHBondContact OD1-NZ 3.08Å; D43-F220 HydrophobicContact CB-CE1 4.25Å; D43-F220 HydrophobicContact CB-CZ 3.99Å
44I98.8Very high98.2Very high15 Ų1550.7 Ų50.78%0.07729%0.288CS..Hα-helixtrans-69-45.4-179.9-64.2-61000110.8N40 V41 D46 S47 E48 Q75 L76N40-I44 VanDerWaalsContact O-CG1 3.32Å; N40-I44 WeakPolarHBondContact O-CG1 3.35Å; N40-I44 PolarHBondContact O-N 3.5Å; V41-I44 PolarHBondContact O-N 2.84Å; I44-D46 PolarHBondContact O-N 2.77Å; I44-S47 WeakPolarHBondContact O-CB 3.31Å; I44-S47 PolarHBondContact O-N 2.89Å; I44-S47 VanDerWaalsContact O-N 3.09Å; I44-E48 HydrophobicContact CG2-CG 4.32Å; I44-E48 WeakPolarHBondContact O-CG 3.47Å; I44-E48 PolarHBondContact O-N 2.95Å; I44-Q75 HydrophobicContact CD1-CB 3.68Å; I44-Q75 HydrophobicContact CG1-CB 3.93Å; I44-Q75 HydrophobicContact CG2-CB 4.28Å; I44-L76 HydrophobicContact CD1-CB 4.29Å
45A98.8Very high98.3Very high38 Ų3848.6 Ų48.631%0.31428%0.278SS..Hα-helixtrans-58.5-45.5-177.600000112.9V41 S47 E48 M49V41-A45 WeakPolarHBondContact O-CB 3.41Å; V41-A45 PolarHBondContact O-N 3.49Å; A45-S47 VanDerWaalsContact C-N 3.32Å; A45-S47 PolarHBondContact O-N 3.16Å; A45-E48 PolarHBondContact O-N 2.94Å; A45-M49 PolarHBondContact O-N 3.41Å; A45-M49 VanDerWaalsContact O-N 3.15Å
46D98.9Very high98.4Very high8 Ų847.6 Ų47.64%0.04326%0.264CS..Hα-helixtrans-71.9-29.9178.2-78.918.1000112.3P42 I44 M49 F50 Q217 T218 M229P42-D46 PolarHBondContact O-N 3.4Å; P42-D46 VanDerWaalsContact O-N 3.16Å; I44-D46 PolarHBondContact O-N 2.77Å; D46-M49 HydrophobicContact CB-CE 4.33Å; D46-M49 WeakPolarHBondContact OD1-CE 3.35Å; D46-F50 VanDerWaalsContact O-CB 3.3Å; D46-F50 WeakPolarHBondContact O-CB 3.38Å; D46-F50 PolarHBondContact O-N 3.49Å; D46-Q217 PolarHBondContact OD2-NE2 2.65Å; D46-Q217 VanDerWaalsContact OD2-NE2 3.13Å; D46-T218 VanDerWaalsContact CG-OG1 3.32Å; D46-T218 PolarHBondContact OD1-OG1 3.34Å; D46-T218 WeakPolarHBondContact OD2-CA 3.22Å; D46-T218 WeakPolarHBondContact OD2-CB 3.39Å; D46-T218 PolarHBondContact OD2-N 2.92Å; D46-T218 PolarHBondContact OD2-OG1 2.72Å; D46-M229 HydrophobicContact CB-CE 4.02Å
47S98.9Very high98.3Very high0 Ų047.5 Ų47.50%028%0.28CS..Hα-helixtrans-68.3-37.9173.8-550000111.9D43 I44 A45 F50 L51 K164D43-S47 WeakPolarHBondContact O-CB 3.47Å; D43-S47 PolarHBondContact O-N 2.87Å; D43-S47 PolarHBondContact O-OG 2.95Å; I44-S47 WeakPolarHBondContact O-CB 3.31Å; I44-S47 PolarHBondContact O-N 2.89Å; I44-S47 VanDerWaalsContact O-N 3.09Å; A45-S47 VanDerWaalsContact C-N 3.32Å; A45-S47 PolarHBondContact O-N 3.16Å; S47-F50 PolarHBondContact O-N 3.17Å; S47-L51 WeakPolarHBondContact O-CG 3.17Å; S47-L51 PolarHBondContact O-N 3.37Å; S47-K164 PolarHBondContact OG-NZ 3.38Å
48E98.8Very high98.3Very high75 Ų7547.2 Ų47.235%0.3528%0.279SS..Hα-helixtrans-61.6-51173.7-73.9-175.1138.800111.1I44 A45 F50 L51 D52 L76 R80I44-E48 HydrophobicContact CG2-CG 4.32Å; I44-E48 WeakPolarHBondContact O-CG 3.47Å; I44-E48 PolarHBondContact O-N 2.95Å; A45-E48 PolarHBondContact O-N 2.94Å; E48-F50 VanDerWaalsContact C-N 3.25Å; E48-F50 PolarHBondContact O-N 2.85Å; E48-L51 PolarHBondContact O-N 2.85Å; E48-D52 PolarHBondContact O-N 3.49Å; E48-L76 HydrophobicContact CB-CD1 4.44Å; E48-L76 HydrophobicContact CG-CD1 3.67Å; E48-R80 PolarHBondContact O-NH2 2.96Å
49M98.8Very high98.3Very high111 Ų11146 Ų4655%0.54727%0.267SS..Hα-helixtrans-59.4-38.2176.8-69-172.5-69.300112A45 D46 D52 E53A45-M49 PolarHBondContact O-N 3.41Å; A45-M49 VanDerWaalsContact O-N 3.15Å; D46-M49 HydrophobicContact CB-CE 4.33Å; D46-M49 WeakPolarHBondContact OD1-CE 3.35Å; M49-D52 PolarHBondContact O-N 3.09Å; M49-E53 PolarHBondContact O-N 3.16Å
50F98.9Very high98.3Very high3 Ų348 Ų481%0.01329%0.286CS..Hα-helixtrans-66.3-42177.6-167.8-100.9000112.4D46 S47 E48 E53 F54 V162 R215 M229 A231D46-F50 VanDerWaalsContact O-CB 3.3Å; D46-F50 WeakPolarHBondContact O-CB 3.38Å; D46-F50 PolarHBondContact O-N 3.49Å; S47-F50 PolarHBondContact O-N 3.17Å; E48-F50 VanDerWaalsContact C-N 3.25Å; E48-F50 PolarHBondContact O-N 2.85Å; F50-E53 PolarHBondContact O-N 2.82Å; F50-F54 AromaticContact CD2-CD2 3.8Å; F50-F54 HydrophobicContact CD2-CD2 3.8Å; F50-F54 HydrophobicContact CD2-CE2 4.27Å; F50-F54 HydrophobicContact CE1-CB 4.37Å; F50-F54 HydrophobicContact CE1-CD2 4.45Å; F50-F54 AromaticContact CE2-CD2 3.52Å; F50-F54 HydrophobicContact CE2-CD2 3.52Å; F50-F54 AromaticContact CE2-CE2 3.93Å; F50-F54 HydrophobicContact CE2-CE2 3.93Å; F50-F54 HydrophobicContact CE2-CG 4.46Å; F50-F54 HydrophobicContact CG-CD2 4.38Å; F50-F54 HydrophobicContact CZ-CB 4.41Å; F50-F54 AromaticContact CZ-CD2 3.88Å; F50-F54 HydrophobicContact CZ-CD2 3.88Å; F50-F54 HydrophobicContact CZ-CG 4.41Å; F50-F54 PolarHBondContact O-N 3.3Å; F50-V162 HydrophobicContact CD1-CG1 3.89Å; F50-V162 HydrophobicContact CD1-CG2 4.38Å; F50-V162 HydrophobicContact CE1-CB 4.46Å; F50-V162 HydrophobicContact CE1-CG1 3.64Å; F50-V162 HydrophobicContact CE1-CG2 3.98Å; F50-R215 HydrophobicContact CD2-CB 3.74Å; F50-R215 HydrophobicContact CD2-CG 3.61Å; F50-R215 HydrophobicContact CE2-CB 3.94Å; F50-R215 HydrophobicContact CE2-CG 3.81Å; F50-M229 HydrophobicContact CB-CE 4.32Å; F50-M229 HydrophobicContact CB-SD 3.86Å; F50-M229 HydrophobicContact CD1-CB 4.04Å; F50-M229 HydrophobicContact CD1-SD 4.48Å; F50-M229 HydrophobicContact CD2-CB 3.86Å; F50-M229 HydrophobicContact CD2-CE 4.44Å; F50-M229 HydrophobicContact CD2-SD 4.42Å; F50-M229 HydrophobicContact CE1-CB 3.97Å; F50-M229 HydrophobicContact CE2-CB 3.8Å; F50-M229 HydrophobicContact CG-CB 3.98Å; F50-M229 HydrophobicContact CG-SD 4.01Å; F50-M229 HydrophobicContact CZ-CB 3.86Å; F50-A231 HydrophobicContact CE1-CB 3.73Å; F50-A231 HydrophobicContact CZ-CB 3.66Å
51L98.9Very high98.4Very high11 Ų1149.6 Ų49.66%0.05829%0.291CS..Hα-helixtrans-72.2-29.3176.4-71.4-176.2000112.9S47 E48 E53 G55 L76 L129 W131 V162S47-L51 WeakPolarHBondContact O-CG 3.17Å; S47-L51 PolarHBondContact O-N 3.37Å; E48-L51 PolarHBondContact O-N 2.85Å; L51-E53 PolarHBondContact O-N 2.62Å; L51-G55 WeakPolarHBondContact O-CA 3.17Å; L51-G55 PolarHBondContact O-N 2.87Å; L51-L76 HydrophobicContact CD1-CD1 3.88Å; L51-L76 HydrophobicContact CD1-CD2 3.93Å; L51-L76 HydrophobicContact CD1-CG 3.83Å; L51-L129 HydrophobicContact CD1-CD2 4.17Å; L51-L129 HydrophobicContact CD2-CD1 4.1Å; L51-L129 HydrophobicContact CD2-CD2 3.99Å; L51-W131 HydrophobicContact CD1-CZ3 4.25Å; L51-W131 HydrophobicContact CD2-CE3 4.26Å; L51-W131 HydrophobicContact CD2-CZ3 3.96Å; L51-W131 HydrophobicContact CG-CZ3 4.04Å; L51-V162 HydrophobicContact CD2-CG2 4.06Å
52D98.5Very high98.4Very high114 Ų11444.3 Ų44.361%0.6126%0.259SS*.Hα-helixtrans-64.1-33.1172.5-68.7-17.8000111.6E48 M49 R80E48-D52 PolarHBondContact O-N 3.49Å; M49-D52 PolarHBondContact O-N 3.09Å; D52-R80 IonicContact OD1-CZ 2.88Å; D52-R80 VanDerWaalsContact OD1-CZ 3.23Å; D52-R80 IonicContact OD1-NH1 2.7Å; D52-R80 PolarHBondContact OD1-NH1 3.23Å; D52-R80 IonicContact OD1-NH2 3.23Å; D52-R80 PolarHBondContact OD1-NH2 3.37Å; D52-R80 IonicContact OD2-NH2 2.66Å
53E98.6Very high98.4Very high108 Ų10843.4 Ų43.451%0.50525%0.252SS..Hα-helixtrans-89.2-43.4-179.5-169.2177.4174.200113.3M49 F50 L51 R215M49-E53 PolarHBondContact O-N 3.16Å; F50-E53 PolarHBondContact O-N 2.82Å; L51-E53 PolarHBondContact O-N 2.62Å; E53-R215 IonicContact OE1-CZ 3.79Å; E53-R215 IonicContact OE1-NH2 3.09Å; E53-R215 PolarHBondContact OE1-NH2 2.87Å; E53-R215 IonicContact OE2-CZ 3.3Å; E53-R215 IonicContact OE2-NE 3.04Å; E53-R215 PolarHBondContact OE2-NE 3Å; E53-R215 IonicContact OE2-NH2 2.7Å; E53-R215 PolarHBondContact OE2-NH2 2.95Å
54F98.7Very high98.4Very high30 Ų3043.5 Ų43.513%0.13225%0.253CS..Hα-helixtrans-122.88.2-169.3-58-71.4000114.4F50 I212 G213 R215 A231F50-F54 AromaticContact CD2-CD2 3.8Å; F50-F54 HydrophobicContact CD2-CD2 3.8Å; F50-F54 HydrophobicContact CD2-CE2 4.27Å; F50-F54 HydrophobicContact CE1-CB 4.37Å; F50-F54 HydrophobicContact CE1-CD2 4.45Å; F50-F54 AromaticContact CE2-CD2 3.52Å; F50-F54 HydrophobicContact CE2-CD2 3.52Å; F50-F54 AromaticContact CE2-CE2 3.93Å; F50-F54 HydrophobicContact CE2-CE2 3.93Å; F50-F54 HydrophobicContact CE2-CG 4.46Å; F50-F54 HydrophobicContact CG-CD2 4.38Å; F50-F54 HydrophobicContact CZ-CB 4.41Å; F50-F54 AromaticContact CZ-CD2 3.88Å; F50-F54 HydrophobicContact CZ-CD2 3.88Å; F50-F54 HydrophobicContact CZ-CG 4.41Å; F50-F54 PolarHBondContact O-N 3.3Å; F54-I212 VanDerWaalsContact CE1-O 3.28Å; F54-I212 WeakPolarHBondContact CE1-O 3.21Å; F54-G213 VanDerWaalsContact CE1-CA 3.41Å; F54-R215 HydrophobicContact CE2-CG 4.33Å; F54-A231 HydrophobicContact CB-CB 3.53Å; F54-A231 HydrophobicContact CG-CB 4.1Å
55G98.2Very high98.4Very high27 Ų2742.8 Ų42.828%0.27825%0.249SC..  trans-65.2165.4176.400000113.1L51L51-G55 WeakPolarHBondContact O-CA 3.17Å; L51-G55 PolarHBondContact O-N 2.87Å
56P97.8Very high98.4Very high18 Ų1842 Ų4212%0.11725%0.246CC..  trans-68.1157.517631.6-38000112.2T58 F81 D128 L129 V160P56-T58 VanDerWaalsContact C-N 3.3Å; P56-T58 WeakPolarHBondContact CB-O 3.3Å; P56-T58 VanDerWaalsContact CG-O 3.25Å; P56-T58 WeakPolarHBondContact CG-O 3.36Å; P56-T58 PolarHBondContact O-N 3.44Å; P56-F81 HydrophobicContact CG-CE1 3.88Å; P56-F81 HydrophobicContact CG-CZ 3.85Å; P56-D128 HydrophobicContact CB-CB 4.08Å; P56-D128 WeakPolarHBondContact CB-O 3.27Å; P56-D128 HydrophobicContact CG-CB 4.05Å; P56-D128 WeakPolarHBondContact CG-O 3.38Å; P56-L129 HydrophobicContact CG-CB 4.12Å; P56-V160 HydrophobicContact CB-CG2 4.21Å
57S94.5Very high98.4Very high116 Ų11642 Ų4281%0.81125%0.246SC*.SBendtrans-74-20.3176.163.50000114.1
58T97.3Very high98.4Very high62 Ų6242.1 Ų42.138%0.3825%0.248SC..  trans-115147.7175.146.60000109.6P56 D128P56-T58 VanDerWaalsContact C-N 3.3Å; P56-T58 WeakPolarHBondContact CB-O 3.3Å; P56-T58 VanDerWaalsContact CG-O 3.25Å; P56-T58 WeakPolarHBondContact CG-O 3.36Å; P56-T58 PolarHBondContact O-N 3.44Å; T58-D128 WeakPolarHBondContact O-CB 3.38Å; T58-D128 PolarHBondContact OG1-OD1 3.32Å
59T98.1Very high98.4Very high66 Ų6638.7 Ų38.741%0.40523%0.232SC..  trans-132.836.5-177.961.40000112.2R80 F81 S82T59-R80 WeakPolarHBondContact CB-O 3.14Å; T59-R80 PolarHBondContact OG1-O 2.86Å; T59-F81 VanDerWaalsContact CA-CD1 3.47Å; T59-F81 HydrophobicContact CG2-CD1 4.23Å; T59-F81 HydrophobicContact CG2-CE1 3.88Å; T59-F81 HydrophobicContact CG2-CZ 4.14Å; T59-F81 VanDerWaalsContact O-CA 3.24Å; T59-F81 WeakPolarHBondContact O-CA 3.38Å; T59-S82 PolarHBondContact O-N 2.89Å
60A98.6Very high98.4Very high54 Ų5433.4 Ų33.445%0.44621%0.206SC..SBendtrans-71.7-44.8176.500000111S82 I83 D128A60-S82 WeakPolarHBondContact O-CB 3.38Å; A60-I83 PolarHBondContact O-N 3Å; A60-D128 WeakPolarHBondContact CA-OD2 3.31Å; A60-D128 WeakPolarHBondContact CB-OD2 3.4Å; A60-D128 PolarHBondContact N-OD2 3.17Å
61Y98.7Very high98.4Very high55 Ų5533.9 Ų33.922%0.21621%0.207CC..EExtended strand (participates in β ladder)trans-140.5126.1-169.4-133.3-57.3000112.7I83 D85 R126 Y127 D128 L129Y61-I83 WeakPolarHBondContact CA-O 3.35Å; Y61-I83 HydrophobicContact CD1-CB 4.28Å; Y61-I83 HydrophobicContact CD1-CG2 4.19Å; Y61-I83 HydrophobicContact CD2-CB 4.3Å; Y61-I83 HydrophobicContact CE1-CB 4.1Å; Y61-I83 HydrophobicContact CE1-CG2 3.53Å; Y61-I83 HydrophobicContact CE2-CB 4.14Å; Y61-I83 HydrophobicContact CE2-CG2 3.95Å; Y61-I83 HydrophobicContact CG-CB 4.38Å; Y61-I83 VanDerWaalsContact CZ-CG2 3.4Å; Y61-D85 HydrophobicContact CE1-CB 4.21Å; Y61-D85 WeakPolarHBondContact CE1-OD1 3.47Å; Y61-D85 WeakPolarHBondContact CE1-OD2 3.31Å; Y61-D85 PolarHBondContact OH-OD1 2.88Å; Y61-R126 WeakPolarHBondContact CB-O 3.06Å; Y61-R126 HydrophobicContact CD1-CG 4.25Å; Y61-R126 HydrophobicContact CD2-CG 4.01Å; Y61-R126 HydrophobicContact CE1-CG 4.46Å; Y61-R126 HydrophobicContact CE2-CG 4.22Å; Y61-R126 HydrophobicContact CG-CG 4.02Å; Y61-Y127 AromaticContact CD1-CD1 3.68Å; Y61-Y127 HydrophobicContact CD1-CD1 3.68Å; Y61-Y127 AromaticContact CD1-CE1 3.62Å; Y61-Y127 HydrophobicContact CD1-CE1 3.62Å; Y61-Y127 HydrophobicContact CE1-CD1 4.34Å; Y61-Y127 AromaticContact CE1-CE1 3.8Å; Y61-Y127 HydrophobicContact CE1-CE1 3.8Å; Y61-Y127 HydrophobicContact CG-CD1 4.36Å; Y61-D128 PolarHBondContact N-OD2 2.7Å; Y61-D128 PolarHBondContact O-N 2.98Å; Y61-L129 PolarHBondContact O-N 3.33Å
62A99Very high98.4Very high0 Ų033.7 Ų33.70%021%0.207CC..EExtended strand (participates in β ladder)trans-119.3159.5169.400000112.5F81 I83 V84 D85 L129A62-F81 HydrophobicContact CB-CB 4.11Å; A62-F81 HydrophobicContact CB-CD1 3.72Å; A62-F81 HydrophobicContact CB-CD2 3.89Å; A62-F81 HydrophobicContact CB-CE1 4.12Å; A62-F81 HydrophobicContact CB-CE2 4.28Å; A62-F81 HydrophobicContact CB-CG 3.62Å; A62-F81 HydrophobicContact CB-CZ 4.4Å; A62-I83 PolarHBondContact N-O 3.36Å; A62-V84 HydrophobicContact CB-CG2 4.34Å; A62-V84 WeakPolarHBondContact O-CA 3.42Å; A62-D85 PolarHBondContact O-N 3.02Å; A62-L129 CarbonylContact C-O 3.59Å; A62-L129 WeakPolarHBondContact CA-O 3.03Å; A62-L129 HydrophobicContact CB-CB 4.08Å
63L99Very high98.4Very high0 Ų028.3 Ų28.30%018%0.178CC..EExtended strand (participates in β ladder)trans-122.3125.9170.2174.165000109.3C65 D85 V87 F120 P122 Y127 L129 I130 W131L63-C65 VanDerWaalsContact CD2-SG 3.57Å; L63-D85 WeakPolarHBondContact CA-O 3.42Å; L63-D85 HydrophobicContact CD1-CB 3.79Å; L63-V87 HydrophobicContact CD1-CB 4.39Å; L63-V87 HydrophobicContact CD1-CG1 3.97Å; L63-V87 HydrophobicContact CG-CG1 4.45Å; L63-F120 HydrophobicContact CD1-CE1 4.33Å; L63-F120 HydrophobicContact CD1-CZ 4.44Å; L63-F120 HydrophobicContact CD2-CE1 3.75Å; L63-F120 HydrophobicContact CD2-CZ 4.4Å; L63-P122 HydrophobicContact CD2-CB 4.17Å; L63-P122 HydrophobicContact CD2-CG 4.07Å; L63-Y127 HydrophobicContact CB-CD1 3.66Å; L63-Y127 HydrophobicContact CB-CD2 4.17Å; L63-Y127 HydrophobicContact CB-CE1 3.65Å; L63-Y127 HydrophobicContact CB-CE2 4.16Å; L63-Y127 HydrophobicContact CB-CG 3.91Å; L63-Y127 HydrophobicContact CD1-CE1 4.48Å; L63-Y127 HydrophobicContact CD2-CD2 4.25Å; L63-Y127 HydrophobicContact CD2-CE2 3.92Å; L63-Y127 HydrophobicContact CG-CE1 4.5Å; L63-Y127 HydrophobicContact CG-CE2 4.5Å; L63-L129 PolarHBondContact N-O 3.04Å; L63-I130 HydrophobicContact CB-CG1 4.31Å; L63-I130 HydrophobicContact CD2-CG1 4.32Å; L63-I130 HydrophobicContact CD2-CG2 4.05Å; L63-W131 PolarHBondContact O-N 2.94Å
64D99Very high98.4Very high2 Ų226.4 Ų26.41%0.01117%0.168CC..EExtended strand (participates in β ladder)trans-96.1110.1171.1-164.1-3.4000109.6A67 T73 L77 V84 D85 V87D64-A67 HydrophobicContact CB-CB 3.85Å; D64-T73 WeakPolarHBondContact CB-OG1 3.43Å; D64-T73 PolarHBondContact OD2-N 3.19Å; D64-T73 PolarHBondContact OD2-OG1 2.61Å; D64-L77 HydrophobicContact CB-CD1 3.71Å; D64-V84 HydrophobicContact CB-CG1 4.29Å; D64-D85 PolarHBondContact N-O 3.37Å; D64-V87 PolarHBondContact O-N 2.92Å
65C99Very high98.4Very high0 Ų027.5 Ų27.50%017%0.173CC..EExtended strand (participates in β ladder)trans-96.3123.8-179.6-58.70000111.6L63 V87 L117 W131 I132 V135 F147L63-C65 VanDerWaalsContact CD2-SG 3.57Å; C65-V87 HydrophobicContact CB-CG1 3.94Å; C65-L117 HydrophobicContact CB-CD1 4.14Å; C65-L117 HydrophobicContact CB-CD2 4.18Å; C65-W131 WeakPolarHBondContact CB-O 3.5Å; C65-W131 PolarHBondContact N-O 3.45Å; C65-I132 HydrophobicContact CB-CB 4.29Å; C65-I132 HydrophobicContact CB-CG1 3.92Å; C65-I132 HydrophobicContact CB-CG2 4.19Å; C65-V135 WeakPolarHBondContact O-CG1 3.41Å; C65-F147 HydrophobicContact CB-CZ 4.41Å
66G98.7Very high98.5Very high23 Ų2326.2 Ų26.224%0.23716%0.16CC..THydrogen-bonded Turntrans73.540.8-167.700000110.6G68 V87G66-G68 PolarHBondContact O-N 3.45Å; G66-G68 VanDerWaalsContact O-N 3.11Å; G66-V87 PolarHBondContact N-O 2.94Å
67A98.8Very high98.5Very high7 Ų725.3 Ų25.36%0.05816%0.155CC..  trans-64.6-20.6-167.200000113.4D64 I69 G70 M86 V87D64-A67 HydrophobicContact CB-CB 3.85Å; A67-I69 PolarHBondContact O-N 2.89Å; A67-G70 WeakPolarHBondContact O-CA 3.39Å; A67-G70 PolarHBondContact O-N 2.86Å; A67-M86 HydrophobicContact CB-CB 3.79Å; A67-M86 HydrophobicContact CB-CE 3.53Å; A67-M86 HydrophobicContact CB-CG 3.97Å; A67-V87 PolarHBondContact N-O 2.97Å; A67-V87 VanDerWaalsContact N-O 3.16Å
68G98.6Very high98.7Very high3 Ų319.8 Ų19.83%0.03112%0.116CC..THydrogen-bonded Turntrans54-129.7-173.200000110.9G66 G70 E88G66-G68 PolarHBondContact O-N 3.45Å; G66-G68 VanDerWaalsContact O-N 3.11Å; G68-G70 PolarHBondContact O-N 2.96Å; G68-E88 WeakPolarHBondContact CA-OE2 3.45Å; G68-E88 PolarHBondContact N-OE2 2.59Å
69I98.6Very high98.8Very high2 Ų220.8 Ų20.81%0.0112%0.123CC..THydrogen-bonded Turntrans-79.14.9175.769174.6000113.8A27 V29 M32 A67 F93 Q96 A97 Y100A27-I69 HydrophobicContact CB-CG2 3.89Å; V29-I69 HydrophobicContact CG2-CD1 4.22Å; M32-I69 HydrophobicContact CG-CD1 4.41Å; M32-I69 HydrophobicContact CG-CG1 4.03Å; M32-I69 HydrophobicContact CG-CG2 4.49Å; A67-I69 PolarHBondContact O-N 2.89Å; I69-F93 HydrophobicContact CG2-CB 4.05Å; I69-F93 HydrophobicContact CG2-CD1 4.28Å; I69-F93 HydrophobicContact CG2-CG 4.36Å; I69-Q96 HydrophobicContact CB-CB 4.49Å; I69-Q96 HydrophobicContact CB-CG 4.49Å; I69-Q96 HydrophobicContact CG2-CB 4.03Å; I69-Q96 HydrophobicContact CG2-CG 4.13Å; I69-A97 WeakPolarHBondContact O-CA 3.49Å; I69-Y100 HydrophobicContact CD1-CD1 4.24Å; I69-Y100 HydrophobicContact CD1-CD2 3.75Å; I69-Y100 HydrophobicContact CD1-CE2 4.1Å; I69-Y100 HydrophobicContact CD1-CG 3.82Å; I69-Y100 HydrophobicContact CG1-CD1 4.09Å; I69-Y100 HydrophobicContact CG1-CD2 4.48Å; I69-Y100 HydrophobicContact CG1-CE1 4.45Å; I69-Y100 HydrophobicContact CG1-CG 4.11Å; I69-Y100 VanDerWaalsContact O-CD1 3.27Å; I69-Y100 WeakPolarHBondContact O-CD1 3.25Å
70G98.8Very high98.8Very high0 Ų020.8 Ų20.80%012%0.116CC..THydrogen-bonded Turntrans86.931.2-177.100000114.2A67 G68 V72 T73 K74 M86 Y100A67-G70 WeakPolarHBondContact O-CA 3.39Å; A67-G70 PolarHBondContact O-N 2.86Å; G68-G70 PolarHBondContact O-N 2.96Å; G70-V72 PolarHBondContact O-N 3.14Å; G70-T73 PolarHBondContact O-N 2.68Å; G70-K74 VanDerWaalsContact O-CB 3.31Å; G70-K74 WeakPolarHBondContact O-CB 3.29Å; G70-K74 PolarHBondContact O-N 2.95Å; G70-M86 VanDerWaalsContact CA-CE 3.48Å; G70-Y100 WeakPolarHBondContact O-CE1 3.43Å
71R98.8Very high98.8Very high13 Ų1318.6 Ų18.65%0.04910%0.096CC..Hα-helixtrans-57-48.3178.7-175.3-173.265.778.11.3112.1N40 D43 Q75 Q133N40-R71 WeakPolarHBondContact OD1-CD 3.45Å; N40-R71 PolarHBondContact OD1-NH1 3.11Å; D43-R71 IonicContact OD2-CZ 2.75Å; D43-R71 VanDerWaalsContact OD2-CZ 3.23Å; D43-R71 IonicContact OD2-NH1 3.35Å; D43-R71 PolarHBondContact OD2-NH1 3.31Å; D43-R71 IonicContact OD2-NH2 3.13Å; D43-R71 PolarHBondContact OD2-NH2 2.8Å; R71-Q75 VanDerWaalsContact CG-NE2 3.31Å; R71-Q75 WeakPolarHBondContact O-CB 3.37Å; R71-Q75 PolarHBondContact O-N 2.77Å; R71-Q75 PolarHBondContact O-NE2 3.33Å; R71-Q75 VanDerWaalsContact O-NE2 3.11Å; R71-Q133 VanDerWaalsContact NH2-NE2 3.16Å
72V98.9Very high98.8Very high8 Ų819.3 Ų19.35%0.04811%0.11CC..Hα-helixtrans-78.3-44.3178.7179.60000110.4G70 K74 Q75 L76 L77 W131G70-V72 PolarHBondContact O-N 3.14Å; V72-K74 VanDerWaalsContact C-N 3.27Å; V72-K74 PolarHBondContact O-N 3.36Å; V72-Q75 PolarHBondContact O-N 3.08Å; V72-L76 HydrophobicContact CG1-CB 3.88Å; V72-L76 HydrophobicContact CG1-CD2 3.75Å; V72-L76 HydrophobicContact CG1-CG 4.42Å; V72-L76 WeakPolarHBondContact O-CB 3.36Å; V72-L76 PolarHBondContact O-N 3.46Å; V72-L77 HydrophobicContact CG1-CD1 4.29Å; V72-L77 HydrophobicContact CG1-CG 4.09Å; V72-L77 PolarHBondContact O-N 3.14Å; V72-L77 VanDerWaalsContact O-N 3.16Å; V72-W131 HydrophobicContact CG1-CD2 4.5Å; V72-W131 HydrophobicContact CG1-CG 4.33Å
73T98.9Very high98.8Very high0 Ų021.9 Ų21.90%012%0.123CC..Iπ-helixtrans-42.6-53.6169.4-64.20000111.8D64 G70 L77 L78 V84 M86 I101 V109D64-T73 WeakPolarHBondContact CB-OG1 3.43Å; D64-T73 PolarHBondContact OD2-N 3.19Å; D64-T73 PolarHBondContact OD2-OG1 2.61Å; G70-T73 PolarHBondContact O-N 2.68Å; T73-L77 PolarHBondContact O-N 3.09Å; T73-L78 HydrophobicContact CG2-CD1 3.72Å; T73-L78 HydrophobicContact CG2-CG 3.99Å; T73-L78 WeakPolarHBondContact O-CB 3.32Å; T73-L78 VanDerWaalsContact O-CG 3.28Å; T73-L78 WeakPolarHBondContact O-CG 3.46Å; T73-L78 PolarHBondContact O-N 3.2Å; T73-V84 HydrophobicContact CG2-CB 4.21Å; T73-V84 HydrophobicContact CG2-CG1 3.88Å; T73-M86 HydrophobicContact CG2-CG 4.38Å; T73-M86 HydrophobicContact CG2-SD 4.29Å; T73-I101 HydrophobicContact CG2-CD1 3.78Å; T73-V109 HydrophobicContact CG2-CG2 4.14Å
74K98.9Very high98.8Very high69 Ų6921.9 Ų21.930%0.312%0.123SC..Iπ-helixtrans-66.8-51.8-179.6-173.9-174.3178.41200113.6G70 V72 P79 Y100 I101G70-K74 VanDerWaalsContact O-CB 3.31Å; G70-K74 WeakPolarHBondContact O-CB 3.29Å; G70-K74 PolarHBondContact O-N 2.95Å; V72-K74 VanDerWaalsContact C-N 3.27Å; V72-K74 PolarHBondContact O-N 3.36Å; K74-P79 VanDerWaalsContact O-CD 3.29Å; K74-P79 WeakPolarHBondContact O-CD 3.4Å; K74-Y100 HydrophobicContact CB-CE1 3.91Å; K74-Y100 HydrophobicContact CD-CD1 4.25Å; K74-Y100 HydrophobicContact CD-CE1 3.68Å; K74-Y100 HydrophobicContact CG-CE1 4.44Å; K74-Y100 PolarHBondContact NZ-O 2.83Å; K74-I101 HydrophobicContact CB-CG1 4.19Å; K74-I101 PolarHBondContact NZ-O 3.31Å
75Q98.8Very high98.8Very high52 Ų5221.8 Ų21.824%0.24312%0.122CC..Iπ-helixtrans-90.6-21-164-68.717610000113.7N40 I44 R71 V72N40-Q75 PolarHBondContact ND2-OE1 3.46Å; N40-Q75 PolarHBondContact OD1-NE2 2.9Å; I44-Q75 HydrophobicContact CD1-CB 3.68Å; I44-Q75 HydrophobicContact CG1-CB 3.93Å; I44-Q75 HydrophobicContact CG2-CB 4.28Å; R71-Q75 VanDerWaalsContact CG-NE2 3.31Å; R71-Q75 WeakPolarHBondContact O-CB 3.37Å; R71-Q75 PolarHBondContact O-N 2.77Å; R71-Q75 PolarHBondContact O-NE2 3.33Å; R71-Q75 VanDerWaalsContact O-NE2 3.11Å; V72-Q75 PolarHBondContact O-N 3.08Å
76L98.9Very high98.8Very high0 Ų021.8 Ų21.80%012%0.122CC..Iπ-helixtrans-120.7-49.3-174.8-176.767.9000112.2I44 E48 L51 V72 R80 W131I44-L76 HydrophobicContact CD1-CB 4.29Å; E48-L76 HydrophobicContact CB-CD1 4.44Å; E48-L76 HydrophobicContact CG-CD1 3.67Å; L51-L76 HydrophobicContact CD1-CD1 3.88Å; L51-L76 HydrophobicContact CD1-CD2 3.93Å; L51-L76 HydrophobicContact CD1-CG 3.83Å; V72-L76 HydrophobicContact CG1-CB 3.88Å; V72-L76 HydrophobicContact CG1-CD2 3.75Å; V72-L76 HydrophobicContact CG1-CG 4.42Å; V72-L76 WeakPolarHBondContact O-CB 3.36Å; V72-L76 PolarHBondContact O-N 3.46Å; L76-R80 WeakPolarHBondContact O-CD 3.34Å; L76-R80 WeakPolarHBondContact O-CG 3.46Å; L76-W131 HydrophobicContact CD2-CD2 4.18Å; L76-W131 HydrophobicContact CD2-CE3 4.1Å; L76-W131 HydrophobicContact CD2-CH2 3.71Å; L76-W131 HydrophobicContact CD2-CZ2 3.77Å; L76-W131 HydrophobicContact CD2-CZ3 3.86Å
77L98.9Very high98.8Very high0 Ų020.7 Ų20.70%011%0.111CC..Iπ-helixtrans-85.2-49.9-167.9-53.9180000112.6D64 V72 T73 P79 R80 F81 V84 L129 W131D64-L77 HydrophobicContact CB-CD1 3.71Å; V72-L77 HydrophobicContact CG1-CD1 4.29Å; V72-L77 HydrophobicContact CG1-CG 4.09Å; V72-L77 PolarHBondContact O-N 3.14Å; V72-L77 VanDerWaalsContact O-N 3.16Å; T73-L77 PolarHBondContact O-N 3.09Å; L77-P79 VanDerWaalsContact C-CD 3.5Å; L77-P79 VanDerWaalsContact C-N 3.31Å; L77-R80 CarbonylContact O-C 3.53Å; L77-R80 PolarHBondContact O-N 2.94Å; L77-F81 HydrophobicContact CB-CD2 4.41Å; L77-F81 HydrophobicContact CD2-CD2 4.46Å; L77-F81 HydrophobicContact CD2-CE2 4.34Å; L77-F81 WeakPolarHBondContact O-CD2 3.48Å; L77-F81 PolarHBondContact O-N 3.49Å; L77-V84 HydrophobicContact CB-CG1 4.07Å; L77-V84 HydrophobicContact CB-CG2 3.68Å; L77-V84 HydrophobicContact CD1-CG1 3.84Å; L77-L129 HydrophobicContact CD2-CD2 3.66Å; L77-W131 HydrophobicContact CD1-CB 4.16Å; L77-W131 HydrophobicContact CD2-CB 4.29Å; L77-W131 HydrophobicContact CD2-CG 4.46Å
78L98.9Very high98.8Very high0 Ų021.2 Ų21.20%011%0.112CC..THydrogen-bonded Turntrans-61.7-30.1178.5-72.6172.2000113.9T73 R80 V84 I101 D105 R108 V109T73-L78 HydrophobicContact CG2-CD1 3.72Å; T73-L78 HydrophobicContact CG2-CG 3.99Å; T73-L78 WeakPolarHBondContact O-CB 3.32Å; T73-L78 VanDerWaalsContact O-CG 3.28Å; T73-L78 WeakPolarHBondContact O-CG 3.46Å; T73-L78 PolarHBondContact O-N 3.2Å; L78-R80 PolarHBondContact O-N 3.24Å; L78-V84 HydrophobicContact CD2-CB 4.09Å; L78-V84 HydrophobicContact CD2-CG2 3.67Å; L78-V84 HydrophobicContact CG-CB 4.44Å; L78-V84 HydrophobicContact CG-CG2 3.97Å; L78-I101 HydrophobicContact CD1-CG2 3.76Å; L78-D105 HydrophobicContact CD1-CB 4.03Å; L78-R108 HydrophobicContact CD2-CB 3.65Å; L78-R108 VanDerWaalsContact O-CZ 3.27Å; L78-R108 PolarHBondContact O-NH1 3.35Å; L78-R108 PolarHBondContact O-NH2 2.92Å; L78-V109 HydrophobicContact CD1-CG2 4.05Å
79P98.6Very high98.8Very high83 Ų8323.2 Ų23.254%0.53912%0.122SC..THydrogen-bonded Turntrans-64.5-21169.1-28.137.5000114.6K74 L77K74-P79 VanDerWaalsContact O-CD 3.29Å; K74-P79 WeakPolarHBondContact O-CD 3.4Å; L77-P79 VanDerWaalsContact C-CD 3.5Å; L77-P79 VanDerWaalsContact C-N 3.31Å
80R98.6Very high98.8Very high66 Ų6623.5 Ų23.525%0.24912%0.124CC..THydrogen-bonded Turntrans-112.5-31.3-171.6-67.1175.6175.4-91.3-2.3113.8E48 D52 T59 L76 L77 L78E48-R80 PolarHBondContact O-NH2 2.96Å; D52-R80 IonicContact OD1-CZ 2.88Å; D52-R80 VanDerWaalsContact OD1-CZ 3.23Å; D52-R80 IonicContact OD1-NH1 2.7Å; D52-R80 PolarHBondContact OD1-NH1 3.23Å; D52-R80 IonicContact OD1-NH2 3.23Å; D52-R80 PolarHBondContact OD1-NH2 3.37Å; D52-R80 IonicContact OD2-NH2 2.66Å; T59-R80 WeakPolarHBondContact CB-O 3.14Å; T59-R80 PolarHBondContact OG1-O 2.86Å; L76-R80 WeakPolarHBondContact O-CD 3.34Å; L76-R80 WeakPolarHBondContact O-CG 3.46Å; L77-R80 CarbonylContact O-C 3.53Å; L77-R80 PolarHBondContact O-N 2.94Å; L78-R80 PolarHBondContact O-N 3.24Å
81F98.8Very high98.8Very high7 Ų728 Ų283%0.03115%0.145CC..  trans-115.2150.2-171.5-65.6-94.1000112.4P56 T59 A62 L77 V84 R108 D128 L129P56-F81 HydrophobicContact CG-CE1 3.88Å; P56-F81 HydrophobicContact CG-CZ 3.85Å; T59-F81 VanDerWaalsContact CA-CD1 3.47Å; T59-F81 HydrophobicContact CG2-CD1 4.23Å; T59-F81 HydrophobicContact CG2-CE1 3.88Å; T59-F81 HydrophobicContact CG2-CZ 4.14Å; T59-F81 VanDerWaalsContact O-CA 3.24Å; T59-F81 WeakPolarHBondContact O-CA 3.38Å; A62-F81 HydrophobicContact CB-CB 4.11Å; A62-F81 HydrophobicContact CB-CD1 3.72Å; A62-F81 HydrophobicContact CB-CD2 3.89Å; A62-F81 HydrophobicContact CB-CE1 4.12Å; A62-F81 HydrophobicContact CB-CE2 4.28Å; A62-F81 HydrophobicContact CB-CG 3.62Å; A62-F81 HydrophobicContact CB-CZ 4.4Å; L77-F81 HydrophobicContact CB-CD2 4.41Å; L77-F81 HydrophobicContact CD2-CD2 4.46Å; L77-F81 HydrophobicContact CD2-CE2 4.34Å; L77-F81 WeakPolarHBondContact O-CD2 3.48Å; L77-F81 PolarHBondContact O-N 3.49Å; F81-V84 HydrophobicContact CB-CG2 4.16Å; F81-R108 PolarHBondContact O-NH1 2.82Å; F81-D128 HydrophobicContact CE1-CB 4.25Å; F81-L129 HydrophobicContact CE1-CB 3.66Å; F81-L129 HydrophobicContact CE1-CD2 4.46Å; F81-L129 HydrophobicContact CE2-CB 4.22Å; F81-L129 HydrophobicContact CE2-CD2 3.48Å; F81-L129 VanDerWaalsContact CE2-CD2 3.48Å; F81-L129 HydrophobicContact CZ-CB 3.42Å; F81-L129 VanDerWaalsContact CZ-CB 3.42Å; F81-L129 HydrophobicContact CZ-CD2 3.47Å; F81-L129 VanDerWaalsContact CZ-CD2 3.47Å; F81-L129 HydrophobicContact CZ-CG 4.07Å
82S98.7Very high98.7Very high71 Ų7130.1 Ų30.150%0.49716%0.162SC..SBendtrans-73.9-42.3-179.9-57.80000112.2T59 A60 R108T59-S82 PolarHBondContact O-N 2.89Å; A60-S82 WeakPolarHBondContact O-CB 3.38Å; S82-R108 WeakPolarHBondContact O-CB 3.31Å
83I98.9Very high98.7Very high53 Ų5329.8 Ų29.827%0.27216%0.159SC..EExtended strand (participates in β ladder)trans-131.1139.5175.6-56.7-67.1000109.9A60 Y61 A62 R108A60-I83 PolarHBondContact O-N 3Å; Y61-I83 WeakPolarHBondContact CA-O 3.35Å; Y61-I83 HydrophobicContact CD1-CB 4.28Å; Y61-I83 HydrophobicContact CD1-CG2 4.19Å; Y61-I83 HydrophobicContact CD2-CB 4.3Å; Y61-I83 HydrophobicContact CE1-CB 4.1Å; Y61-I83 HydrophobicContact CE1-CG2 3.53Å; Y61-I83 HydrophobicContact CE2-CB 4.14Å; Y61-I83 HydrophobicContact CE2-CG2 3.95Å; Y61-I83 HydrophobicContact CG-CB 4.38Å; Y61-I83 VanDerWaalsContact CZ-CG2 3.4Å; A62-I83 PolarHBondContact N-O 3.36Å; I83-R108 WeakPolarHBondContact CA-O 3.39Å
84V99Very high98.7Very high0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-125.9113.6175.1-1760000109.7A62 D64 T73 L77 L78 F81 R108 V109 G110A62-V84 HydrophobicContact CB-CG2 4.34Å; A62-V84 WeakPolarHBondContact O-CA 3.42Å; D64-V84 HydrophobicContact CB-CG1 4.29Å; T73-V84 HydrophobicContact CG2-CB 4.21Å; T73-V84 HydrophobicContact CG2-CG1 3.88Å; L77-V84 HydrophobicContact CB-CG1 4.07Å; L77-V84 HydrophobicContact CB-CG2 3.68Å; L77-V84 HydrophobicContact CD1-CG1 3.84Å; L78-V84 HydrophobicContact CD2-CB 4.09Å; L78-V84 HydrophobicContact CD2-CG2 3.67Å; L78-V84 HydrophobicContact CG-CB 4.44Å; L78-V84 HydrophobicContact CG-CG2 3.97Å; F81-V84 HydrophobicContact CB-CG2 4.16Å; V84-R108 PolarHBondContact N-O 3.19Å; V84-V109 CarbonylContact O-C 3.57Å; V84-V109 WeakPolarHBondContact O-CA 3.46Å; V84-G110 PolarHBondContact O-N 2.87Å
85D98.9Very high98.7Very high0 Ų031.3 Ų31.30%017%0.171CC..EExtended strand (participates in β ladder)trans-77.4149.7166.6-76.6-10.7000109.6Y61 A62 L63 D64 G110 E111 F113 R126 Y127Y61-D85 HydrophobicContact CE1-CB 4.21Å; Y61-D85 WeakPolarHBondContact CE1-OD1 3.47Å; Y61-D85 WeakPolarHBondContact CE1-OD2 3.31Å; Y61-D85 PolarHBondContact OH-OD1 2.88Å; A62-D85 PolarHBondContact O-N 3.02Å; L63-D85 WeakPolarHBondContact CA-O 3.42Å; L63-D85 HydrophobicContact CD1-CB 3.79Å; D64-D85 PolarHBondContact N-O 3.37Å; D85-G110 WeakPolarHBondContact OD1-CA 3.46Å; D85-E111 WeakPolarHBondContact CA-O 3.46Å; D85-E111 PolarHBondContact OD1-N 3.29Å; D85-F113 HydrophobicContact CB-CE2 4.12Å; D85-R126 IonicContact OD2-NH1 2.7Å; D85-R126 PolarHBondContact OD2-NH1 2.91Å; D85-Y127 HydrophobicContact CB-CE1 3.95Å; D85-Y127 WeakPolarHBondContact OD2-CE1 3.31Å; D85-Y127 PolarHBondContact OD2-OH 3.31Å
86M98.9Very high98.7Very high0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-119133.7175.2-63.1173.271.100109.3A67 G70 T73 L94 A97 I101 V109 E111 R112 F113A67-M86 HydrophobicContact CB-CB 3.79Å; A67-M86 HydrophobicContact CB-CE 3.53Å; A67-M86 HydrophobicContact CB-CG 3.97Å; G70-M86 VanDerWaalsContact CA-CE 3.48Å; T73-M86 HydrophobicContact CG2-CG 4.38Å; T73-M86 HydrophobicContact CG2-SD 4.29Å; M86-L94 HydrophobicContact CB-CD2 4.09Å; M86-L94 HydrophobicContact CE-CD2 4.06Å; M86-A97 HydrophobicContact CE-CB 3.92Å; M86-A97 HydrophobicContact SD-CB 4.17Å; M86-I101 HydrophobicContact SD-CD1 4.29Å; M86-V109 HydrophobicContact CG-CG1 4.18Å; M86-V109 HydrophobicContact SD-CG1 3.77Å; M86-E111 PolarHBondContact N-O 3Å; M86-R112 HydrophobicContact CB-CG 4.42Å; M86-R112 CarbonylContact O-C 3.49Å; M86-R112 WeakPolarHBondContact O-CA 3.28Å; M86-R112 HydrophobicContact SD-CG 4.43Å; M86-F113 PolarHBondContact O-N 2.92Å
87V98.9Very high98.7Very high0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-119.4125.5164.159.60000109.8L63 D64 C65 G66 A67 F113 I115 L117 F120L63-V87 HydrophobicContact CD1-CB 4.39Å; L63-V87 HydrophobicContact CD1-CG1 3.97Å; L63-V87 HydrophobicContact CG-CG1 4.45Å; D64-V87 PolarHBondContact O-N 2.92Å; C65-V87 HydrophobicContact CB-CG1 3.94Å; G66-V87 PolarHBondContact N-O 2.94Å; A67-V87 PolarHBondContact N-O 2.97Å; A67-V87 VanDerWaalsContact N-O 3.16Å; V87-F113 WeakPolarHBondContact CA-O 3.43Å; V87-F113 HydrophobicContact CB-CB 4.06Å; V87-F113 HydrophobicContact CG2-CB 4Å; V87-I115 HydrophobicContact CG2-CG2 3.76Å; V87-I115 WeakPolarHBondContact CG2-O 3.5Å; V87-L117 HydrophobicContact CB-CD2 4.44Å; V87-L117 HydrophobicContact CG1-CD2 3.64Å; V87-L117 HydrophobicContact CG2-CD2 3.89Å; V87-F120 HydrophobicContact CB-CD1 4.11Å; V87-F120 HydrophobicContact CB-CE1 4Å; V87-F120 HydrophobicContact CB-CG 4.45Å; V87-F120 HydrophobicContact CB-CZ 4.22Å; V87-F120 HydrophobicContact CG1-CD1 3.92Å; V87-F120 HydrophobicContact CG1-CE1 3.83Å; V87-F120 HydrophobicContact CG1-CZ 4.5Å; V87-F120 HydrophobicContact CG2-CB 4.2Å; V87-F120 HydrophobicContact CG2-CD1 3.8Å; V87-F120 HydrophobicContact CG2-CD2 4.02Å; V87-F120 HydrophobicContact CG2-CE1 4.16Å; V87-F120 HydrophobicContact CG2-CE2 4.35Å; V87-F120 HydrophobicContact CG2-CG 3.73Å; V87-F120 HydrophobicContact CG2-CZ 4.42Å
88E98.8Very high98.6Very high18 Ų1836.5 Ų36.58%0.08420%0.195CC..EExtended strand (participates in β ladder)trans-147.1142.4-175172.846.1-12300109.5G68 T90 F93 L94 F113 C114 I115G68-E88 WeakPolarHBondContact CA-OE2 3.45Å; G68-E88 PolarHBondContact N-OE2 2.59Å; E88-T90 WeakPolarHBondContact OE1-CB 3.28Å; E88-T90 PolarHBondContact OE1-N 3.03Å; E88-T90 PolarHBondContact OE1-OG1 3.01Å; E88-F93 HydrophobicContact CG-CB 4.09Å; E88-F93 HydrophobicContact CG-CD2 4.26Å; E88-L94 HydrophobicContact CB-CD1 4.19Å; E88-L94 HydrophobicContact CB-CD2 3.72Å; E88-L94 HydrophobicContact CB-CG 3.81Å; E88-L94 HydrophobicContact CG-CD2 4.39Å; E88-L94 HydrophobicContact CG-CG 4.14Å; E88-F113 PolarHBondContact N-O 2.75Å; E88-C114 CarbonylContact O-C 3.53Å; E88-C114 WeakPolarHBondContact O-CA 3.22Å; E88-I115 PolarHBondContact O-N 3.45Å
89L98.5Very high98.6Very high46 Ų4643.9 Ų43.924%0.24123%0.23CC..SBendtrans-73.9-32.3-179.8177.362.6000112.4K19K19-L89 HydrophobicContact CB-CD2 3.93Å; K19-L89 HydrophobicContact CD-CD1 4.33Å; K19-L89 HydrophobicContact CG-CD1 4.4Å; K19-L89 HydrophobicContact CG-CD2 4.16Å; K19-L89 HydrophobicContact CG-CG 4.26Å
90T98.5Very high98.6Very high8 Ų842.3 Ų42.35%0.04921%0.214CC..  trans-105.7106.5-166.1-56.50000111.6E88 S92 F93 L94E88-T90 WeakPolarHBondContact OE1-CB 3.28Å; E88-T90 PolarHBondContact OE1-N 3.03Å; E88-T90 PolarHBondContact OE1-OG1 3.01Å; T90-S92 VanDerWaalsContact C-N 3.26Å; T90-S92 VanDerWaalsContact CG2-OG 3.28Å; T90-S92 WeakPolarHBondContact CG2-OG 3.44Å; T90-S92 PolarHBondContact O-N 3.16Å; T90-F93 HydrophobicContact CG2-CD1 4.15Å; T90-F93 HydrophobicContact CG2-CD2 3.86Å; T90-F93 HydrophobicContact CG2-CE1 4.15Å; T90-F93 HydrophobicContact CG2-CE2 3.85Å; T90-F93 HydrophobicContact CG2-CG 3.99Å; T90-F93 HydrophobicContact CG2-CZ 4Å; T90-F93 WeakPolarHBondContact O-CB 3.24Å; T90-F93 PolarHBondContact O-N 2.98Å; T90-L94 PolarHBondContact O-N 2.81Å
91Q98.1Very high98.6Very high93 Ų9339.3 Ų39.344%0.43520%0.202SC..Hα-helixtrans-56.6-35.4-175.8-173.561.866.100113.9F93 L94 N95 C114Q91-F93 PolarHBondContact O-N 3.02Å; Q91-L94 PolarHBondContact O-N 2.91Å; Q91-N95 PolarHBondContact NE2-OD1 3.29Å; Q91-N95 PolarHBondContact O-N 2.86Å; Q91-N95 PolarHBondContact O-OD1 2.89Å; Q91-C114 PolarHBondContact OE1-SG 3.06Å; Q91-C114 VanDerWaalsContact OE1-SG 3.41Å
92S98.1Very high98.6Very high58 Ų5839.7 Ų39.741%0.40621%0.208SC..Hα-helixtrans-62.9-29.1178.147.30000112.6T90 Q96T90-S92 VanDerWaalsContact C-N 3.26Å; T90-S92 VanDerWaalsContact CG2-OG 3.28Å; T90-S92 WeakPolarHBondContact CG2-OG 3.44Å; T90-S92 PolarHBondContact O-N 3.16Å; S92-Q96 PolarHBondContact O-N 3.05Å
93F98.8Very high98.5Very high1 Ų142 Ų420%0.00422%0.221CC..Hα-helixtrans-72.2-43.2174.5-59.1-19.7000111.8W22 V25 A27 M32 I69 E88 T90 Q91 N95 Q96 A97W22-F93 HydrophobicContact CB-CE2 4.34Å; W22-F93 AromaticContact CE3-CE2 3.98Å; W22-F93 HydrophobicContact CE3-CE2 3.98Å; W22-F93 HydrophobicContact CE3-CZ 4.28Å; W22-F93 WeakPolarHBondContact O-CZ 3.46Å; V25-F93 HydrophobicContact CB-CZ 4.07Å; V25-F93 HydrophobicContact CG1-CZ 4.29Å; V25-F93 VanDerWaalsContact O-CE1 3.32Å; V25-F93 WeakPolarHBondContact O-CE1 3.21Å; A27-F93 HydrophobicContact CB-CD1 3.7Å; A27-F93 HydrophobicContact CB-CE1 4.11Å; M32-F93 HydrophobicContact CE-CD1 4.11Å; M32-F93 HydrophobicContact CE-CD2 3.91Å; M32-F93 HydrophobicContact CE-CE1 3.68Å; M32-F93 HydrophobicContact CE-CE2 3.47Å; M32-F93 VanDerWaalsContact CE-CE2 3.47Å; M32-F93 HydrophobicContact CE-CG 4.23Å; M32-F93 HydrophobicContact CE-CZ 3.34Å; M32-F93 HydrophobicContact SD-CD2 4.12Å; M32-F93 HydrophobicContact SD-CE2 4.17Å; I69-F93 HydrophobicContact CG2-CB 4.05Å; I69-F93 HydrophobicContact CG2-CD1 4.28Å; I69-F93 HydrophobicContact CG2-CG 4.36Å; E88-F93 HydrophobicContact CG-CB 4.09Å; E88-F93 HydrophobicContact CG-CD2 4.26Å; T90-F93 HydrophobicContact CG2-CD1 4.15Å; T90-F93 HydrophobicContact CG2-CD2 3.86Å; T90-F93 HydrophobicContact CG2-CE1 4.15Å; T90-F93 HydrophobicContact CG2-CE2 3.85Å; T90-F93 HydrophobicContact CG2-CG 3.99Å; T90-F93 HydrophobicContact CG2-CZ 4Å; T90-F93 WeakPolarHBondContact O-CB 3.24Å; T90-F93 PolarHBondContact O-N 2.98Å; Q91-F93 PolarHBondContact O-N 3.02Å; F93-N95 VanDerWaalsContact C-N 3.26Å; F93-N95 PolarHBondContact O-N 3.44Å; F93-Q96 WeakPolarHBondContact O-CB 3.45Å; F93-Q96 PolarHBondContact O-N 3.33Å; F93-Q96 VanDerWaalsContact O-N 3.09Å; F93-A97 PolarHBondContact O-N 3.02Å; F93-A97 VanDerWaalsContact O-N 3.14Å
94L98.7Very high98.5Very high0 Ų047.5 Ų47.50%025%0.246CC..Hα-helixtrans-63.1-32.2174.4-69.2177.1000113M86 E88 T90 Q91 Q96 A97 R112 C114M86-L94 HydrophobicContact CB-CD2 4.09Å; M86-L94 HydrophobicContact CE-CD2 4.06Å; E88-L94 HydrophobicContact CB-CD1 4.19Å; E88-L94 HydrophobicContact CB-CD2 3.72Å; E88-L94 HydrophobicContact CB-CG 3.81Å; E88-L94 HydrophobicContact CG-CD2 4.39Å; E88-L94 HydrophobicContact CG-CG 4.14Å; T90-L94 PolarHBondContact O-N 2.81Å; Q91-L94 PolarHBondContact O-N 2.91Å; L94-Q96 VanDerWaalsContact C-N 3.33Å; L94-A97 WeakPolarHBondContact O-CB 3.39Å; L94-A97 PolarHBondContact O-N 2.68Å; L94-R112 HydrophobicContact CD1-CB 4.36Å; L94-R112 HydrophobicContact CD2-CB 4.17Å; L94-R112 HydrophobicContact CD2-CG 4.39Å; L94-R112 PolarHBondContact O-NH1 2.88Å; L94-C114 HydrophobicContact CD1-CB 3.74Å
95N98.3Very high98.5Very high101 Ų10149.5 Ų49.554%0.5426%0.256SS..Hα-helixtrans-67.8-36.2174.3-66.2-7.5000111.4Q91 F93 A97Q91-N95 PolarHBondContact NE2-OD1 3.29Å; Q91-N95 PolarHBondContact O-N 2.86Å; Q91-N95 PolarHBondContact O-OD1 2.89Å; F93-N95 VanDerWaalsContact C-N 3.26Å; F93-N95 PolarHBondContact O-N 3.44Å; N95-A97 VanDerWaalsContact C-N 3.29Å; N95-A97 PolarHBondContact O-N 3.25Å
96Q98.4Very high98.4Very high55 Ų5550.6 Ų50.626%0.25726%0.261SS..Hα-helixtrans-74.8-19.1178.6-168.560.553.100113.2A27 I69 S92 F93 L94 E98 E99 Y100A27-Q96 HydrophobicContact CB-CB 3.9Å; A27-Q96 HydrophobicContact CB-CG 3.92Å; A27-Q96 WeakPolarHBondContact O-CG 3.21Å; I69-Q96 HydrophobicContact CB-CB 4.49Å; I69-Q96 HydrophobicContact CB-CG 4.49Å; I69-Q96 HydrophobicContact CG2-CB 4.03Å; I69-Q96 HydrophobicContact CG2-CG 4.13Å; S92-Q96 PolarHBondContact O-N 3.05Å; F93-Q96 WeakPolarHBondContact O-CB 3.45Å; F93-Q96 PolarHBondContact O-N 3.33Å; F93-Q96 VanDerWaalsContact O-N 3.09Å; L94-Q96 VanDerWaalsContact C-N 3.33Å; Q96-E98 VanDerWaalsContact C-N 3.31Å; Q96-E98 PolarHBondContact O-N 3.4Å; Q96-E99 VanDerWaalsContact NE2-CD 3.26Å; Q96-E99 PolarHBondContact NE2-OE2 2.69Å; Q96-E99 PolarHBondContact O-N 2.85Å; Q96-Y100 PolarHBondContact O-N 2.84Å
97A98.4Very high98.4Very high0 Ų055.3 Ų55.30%029%0.292CS..Hα-helixtrans-58.7-38-173.200000113.5I69 M86 F93 L94 N95 Y100 I101 F106I69-A97 WeakPolarHBondContact O-CA 3.49Å; M86-A97 HydrophobicContact CE-CB 3.92Å; M86-A97 HydrophobicContact SD-CB 4.17Å; F93-A97 PolarHBondContact O-N 3.02Å; F93-A97 VanDerWaalsContact O-N 3.14Å; L94-A97 WeakPolarHBondContact O-CB 3.39Å; L94-A97 PolarHBondContact O-N 2.68Å; N95-A97 VanDerWaalsContact C-N 3.29Å; N95-A97 PolarHBondContact O-N 3.25Å; A97-Y100 PolarHBondContact O-N 3.13Å; A97-I101 HydrophobicContact CB-CD1 4.2Å; A97-I101 WeakPolarHBondContact O-CB 3.49Å; A97-I101 WeakPolarHBondContact O-CG1 3.29Å; A97-I101 PolarHBondContact O-N 2.81Å; A97-F106 HydrophobicContact CB-CE2 4.29Å
98E98.3Very high98.4Very high107 Ų10759 Ų5950%0.531%0.306SS..Hα-helixtrans-62.8-48.1179.7-177.5162.7-171.100112.5Q96 G102 F106Q96-E98 VanDerWaalsContact C-N 3.31Å; Q96-E98 PolarHBondContact O-N 3.4Å; E98-G102 PolarHBondContact O-N 2.81Å; E98-F106 VanDerWaalsContact CA-CD2 3.44Å; E98-F106 VanDerWaalsContact CA-CE2 3.47Å; E98-F106 HydrophobicContact CB-CD1 3.87Å; E98-F106 HydrophobicContact CB-CD2 3.99Å; E98-F106 HydrophobicContact CB-CE1 3.63Å; E98-F106 HydrophobicContact CB-CE2 3.76Å; E98-F106 HydrophobicContact CB-CG 4.03Å; E98-F106 HydrophobicContact CB-CZ 3.58Å; E98-F106 VanDerWaalsContact CD-CE1 3.47Å; E98-F106 HydrophobicContact CG-CD1 3.45Å; E98-F106 VanDerWaalsContact CG-CD1 3.45Å; E98-F106 HydrophobicContact CG-CD2 4.32Å; E98-F106 HydrophobicContact CG-CE1 3.59Å; E98-F106 HydrophobicContact CG-CE2 4.43Å; E98-F106 HydrophobicContact CG-CG 3.84Å; E98-F106 HydrophobicContact CG-CZ 4.09Å
99E98.4Very high98.4Very high155 Ų15559 Ų5972%0.72431%0.307SS*.Hα-helixtrans-66.2-42.9177.3-178.6-176.8173.500111.4Q96Q96-E99 VanDerWaalsContact NE2-CD 3.26Å; Q96-E99 PolarHBondContact NE2-OE2 2.69Å; Q96-E99 PolarHBondContact O-N 2.85Å
100Y98.7Very high98.4Very high50 Ų5058.1 Ų58.120%0.19631%0.309CS..Hα-helixtrans-68.1-46.1-178.9173.7-99.6000112.7V29 I69 G70 K74 Q96 A97V29-Y100 HydrophobicContact CG2-CD2 4.31Å; V29-Y100 HydrophobicContact CG2-CE2 3.38Å; I69-Y100 HydrophobicContact CD1-CD1 4.24Å; I69-Y100 HydrophobicContact CD1-CD2 3.75Å; I69-Y100 HydrophobicContact CD1-CE2 4.1Å; I69-Y100 HydrophobicContact CD1-CG 3.82Å; I69-Y100 HydrophobicContact CG1-CD1 4.09Å; I69-Y100 HydrophobicContact CG1-CD2 4.48Å; I69-Y100 HydrophobicContact CG1-CE1 4.45Å; I69-Y100 HydrophobicContact CG1-CG 4.11Å; I69-Y100 VanDerWaalsContact O-CD1 3.27Å; I69-Y100 WeakPolarHBondContact O-CD1 3.25Å; G70-Y100 WeakPolarHBondContact O-CE1 3.43Å; K74-Y100 HydrophobicContact CB-CE1 3.91Å; K74-Y100 HydrophobicContact CD-CD1 4.25Å; K74-Y100 HydrophobicContact CD-CE1 3.68Å; K74-Y100 HydrophobicContact CG-CE1 4.44Å; K74-Y100 PolarHBondContact NZ-O 2.83Å; Q96-Y100 PolarHBondContact O-N 2.84Å; A97-Y100 PolarHBondContact O-N 3.13Å
101I98.8Very high98.4Very high3 Ų361.8 Ų61.82%0.01533%0.325CS..Hα-helixtrans-68.1-45.4-179.4-67.2171000109.3T73 K74 L78 M86 A97 D105 F106 V109T73-I101 HydrophobicContact CG2-CD1 3.78Å; K74-I101 HydrophobicContact CB-CG1 4.19Å; K74-I101 PolarHBondContact NZ-O 3.31Å; L78-I101 HydrophobicContact CD1-CG2 3.76Å; M86-I101 HydrophobicContact SD-CD1 4.29Å; A97-I101 HydrophobicContact CB-CD1 4.2Å; A97-I101 WeakPolarHBondContact O-CB 3.49Å; A97-I101 WeakPolarHBondContact O-CG1 3.29Å; A97-I101 PolarHBondContact O-N 2.81Å; I101-D105 HydrophobicContact CG2-CB 3.64Å; I101-F106 HydrophobicContact CB-CD2 4.24Å; I101-F106 HydrophobicContact CD1-CD2 4.1Å; I101-F106 HydrophobicContact CD1-CE2 4.47Å; I101-F106 HydrophobicContact CG2-CB 4.27Å; I101-F106 HydrophobicContact CG2-CD2 4.46Å; I101-V109 HydrophobicContact CD1-CG2 3.64Å
102G98.5Very high98.5Very high14 Ų1462.5 Ų62.514%0.14432%0.324CS..  trans97.2155.5178.600000112.6E98 E104 D105 F106E98-G102 PolarHBondContact O-N 2.81Å; G102-E104 PolarHBondContact O-N 2.88Å; G102-E104 VanDerWaalsContact O-N 3.17Å; G102-D105 PolarHBondContact O-N 2.7Å; G102-F106 VanDerWaalsContact O-CB 3.27Å; G102-F106 WeakPolarHBondContact O-CB 3.38Å; G102-F106 PolarHBondContact O-N 2.66Å
103P97.3Very high98.5Very high119 Ų11961.6 Ų61.677%0.77331%0.313SS*.THydrogen-bonded Turntrans-68.8-18.8-165.627.9-37000114.6P107P103-P107 WeakPolarHBondContact O-CD 3.36Å; P103-P107 WeakPolarHBondContact O-CG 3.27Å
104E97.8Very high98.5Very high170 Ų17064.1 Ų64.179%0.79433%0.33SS*.THydrogen-bonded Turntrans-72.8-43.4177.3-177.3173.5-176.100111.6G102G102-E104 PolarHBondContact O-N 2.88Å; G102-E104 VanDerWaalsContact O-N 3.17Å
105D98.6Very high98.5Very high41 Ų4166.9 Ų66.922%0.21934%0.344CS..THydrogen-bonded Turntrans-96.4-29.1-173.4-79.7-39.4000113.1L78 I101 G102 P107 R108L78-D105 HydrophobicContact CD1-CB 4.03Å; I101-D105 HydrophobicContact CG2-CB 3.64Å; G102-D105 PolarHBondContact O-N 2.7Å; D105-P107 VanDerWaalsContact C-N 3.33Å; D105-R108 WeakPolarHBondContact O-CB 3.32Å; D105-R108 PolarHBondContact O-N 3.04Å; D105-R108 IonicContact OD1-CZ 3.69Å; D105-R108 IonicContact OD1-NE 3.87Å; D105-R108 IonicContact OD1-NH2 2.71Å; D105-R108 PolarHBondContact OD1-NH2 3.21Å
106F98.6Very high98.5Very high24 Ų2462.4 Ų62.411%0.10532%0.322CS..G310 helixtrans-57.7-32.7-177.1-166.6-108000115.3A97 E98 I101 G102 R108 V109A97-F106 HydrophobicContact CB-CE2 4.29Å; E98-F106 VanDerWaalsContact CA-CD2 3.44Å; E98-F106 VanDerWaalsContact CA-CE2 3.47Å; E98-F106 HydrophobicContact CB-CD1 3.87Å; E98-F106 HydrophobicContact CB-CD2 3.99Å; E98-F106 HydrophobicContact CB-CE1 3.63Å; E98-F106 HydrophobicContact CB-CE2 3.76Å; E98-F106 HydrophobicContact CB-CG 4.03Å; E98-F106 HydrophobicContact CB-CZ 3.58Å; E98-F106 VanDerWaalsContact CD-CE1 3.47Å; E98-F106 HydrophobicContact CG-CD1 3.45Å; E98-F106 VanDerWaalsContact CG-CD1 3.45Å; E98-F106 HydrophobicContact CG-CD2 4.32Å; E98-F106 HydrophobicContact CG-CE1 3.59Å; E98-F106 HydrophobicContact CG-CE2 4.43Å; E98-F106 HydrophobicContact CG-CG 3.84Å; E98-F106 HydrophobicContact CG-CZ 4.09Å; I101-F106 HydrophobicContact CB-CD2 4.24Å; I101-F106 HydrophobicContact CD1-CD2 4.1Å; I101-F106 HydrophobicContact CD1-CE2 4.47Å; I101-F106 HydrophobicContact CG2-CB 4.27Å; I101-F106 HydrophobicContact CG2-CD2 4.46Å; G102-F106 VanDerWaalsContact O-CB 3.27Å; G102-F106 WeakPolarHBondContact O-CB 3.38Å; G102-F106 PolarHBondContact O-N 2.66Å; F106-R108 PolarHBondContact O-N 2.8Å; F106-V109 HydrophobicContact CD2-CB 4.11Å; F106-V109 HydrophobicContact CD2-CG2 3.77Å; F106-V109 HydrophobicContact CE2-CB 4.12Å; F106-V109 HydrophobicContact CE2-CG1 4.26Å; F106-V109 HydrophobicContact CE2-CG2 4.11Å; F106-V109 WeakPolarHBondContact O-CB 3.32Å; F106-V109 PolarHBondContact O-N 3.11Å
107P98.6Very high98.5Very high98 Ų9860.2 Ų60.264%0.63631%0.312SS*.G310 helixtrans-59.2-16.1173.3-26.636.3000114.9P103 D105P103-P107 WeakPolarHBondContact O-CD 3.36Å; P103-P107 WeakPolarHBondContact O-CG 3.27Å; D105-P107 VanDerWaalsContact C-N 3.33Å
108R98.8Very high98.5Very high79 Ų7962.2 Ų62.230%0.29832%0.321SS..G310 helixtrans-95.2-2175.5-62.7-170.6-64.7142.7-4.4113.2L78 F81 S82 I83 V84 D105 F106L78-R108 HydrophobicContact CD2-CB 3.65Å; L78-R108 VanDerWaalsContact O-CZ 3.27Å; L78-R108 PolarHBondContact O-NH1 3.35Å; L78-R108 PolarHBondContact O-NH2 2.92Å; F81-R108 PolarHBondContact O-NH1 2.82Å; S82-R108 WeakPolarHBondContact O-CB 3.31Å; I83-R108 WeakPolarHBondContact CA-O 3.39Å; V84-R108 PolarHBondContact N-O 3.19Å; D105-R108 WeakPolarHBondContact O-CB 3.32Å; D105-R108 PolarHBondContact O-N 3.04Å; D105-R108 IonicContact OD1-CZ 3.69Å; D105-R108 IonicContact OD1-NE 3.87Å; D105-R108 IonicContact OD1-NH2 2.71Å; D105-R108 PolarHBondContact OD1-NH2 3.21Å; F106-R108 PolarHBondContact O-N 2.8Å
109V98.8Very high98.5Very high17 Ų1762.1 Ų62.110%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-75.5123.8165.7179.10000108.1T73 L78 V84 M86 I101 F106 R112T73-V109 HydrophobicContact CG2-CG2 4.14Å; L78-V109 HydrophobicContact CD1-CG2 4.05Å; V84-V109 CarbonylContact O-C 3.57Å; V84-V109 WeakPolarHBondContact O-CA 3.46Å; M86-V109 HydrophobicContact CG-CG1 4.18Å; M86-V109 HydrophobicContact SD-CG1 3.77Å; I101-V109 HydrophobicContact CD1-CG2 3.64Å; F106-V109 HydrophobicContact CD2-CB 4.11Å; F106-V109 HydrophobicContact CD2-CG2 3.77Å; F106-V109 HydrophobicContact CE2-CB 4.12Å; F106-V109 HydrophobicContact CE2-CG1 4.26Å; F106-V109 HydrophobicContact CE2-CG2 4.11Å; F106-V109 WeakPolarHBondContact O-CB 3.32Å; F106-V109 PolarHBondContact O-N 3.11Å; V109-R112 HydrophobicContact CG1-CG 4.01Å
110G98.5Very high98.5Very high28 Ų2855.1 Ų55.129%0.28929%0.291SS..EExtended strand (participates in β ladder)trans-82.5-129.2-179.300000112.7V84 D85V84-G110 PolarHBondContact O-N 2.87Å; D85-G110 WeakPolarHBondContact OD1-CA 3.46Å
111E98.7Very high98.5Very high84 Ų8456.6 Ų56.639%0.39331%0.306SS..EExtended strand (participates in β ladder)trans-67.1138.4174.3-62.4-167.980.500111D85 M86 F113 R126D85-E111 WeakPolarHBondContact CA-O 3.46Å; D85-E111 PolarHBondContact OD1-N 3.29Å; M86-E111 PolarHBondContact N-O 3Å; E111-F113 HydrophobicContact CB-CD2 4.17Å; E111-F113 HydrophobicContact CB-CE1 3.95Å; E111-F113 HydrophobicContact CB-CE2 3.51Å; E111-F113 HydrophobicContact CB-CZ 3.39Å; E111-F113 HydrophobicContact CG-CE1 4.47Å; E111-F113 HydrophobicContact CG-CE2 4.48Å; E111-F113 HydrophobicContact CG-CZ 3.96Å; E111-F113 WeakPolarHBondContact OE1-CE1 3.5Å; E111-F113 WeakPolarHBondContact OE2-CZ 3.33Å; E111-R126 IonicContact OE2-CZ 3.75Å; E111-R126 IonicContact OE2-NH1 2.85Å; E111-R126 PolarHBondContact OE2-NH1 3.13Å; E111-R126 IonicContact OE2-NH2 3.23Å; E111-R126 PolarHBondContact OE2-NH2 2.8Å; E111-R126 VanDerWaalsContact OE2-NH2 3.14Å
112R98.7Very high98.5Very high108 Ų10856.5 Ų56.541%0.40831%0.305SS..EExtended strand (participates in β ladder)trans-112.996173.8-69.5176.6-70.2170-7.3108.5M86 L94 V109 C114M86-R112 HydrophobicContact CB-CG 4.42Å; M86-R112 CarbonylContact O-C 3.49Å; M86-R112 WeakPolarHBondContact O-CA 3.28Å; M86-R112 HydrophobicContact SD-CG 4.43Å; L94-R112 HydrophobicContact CD1-CB 4.36Å; L94-R112 HydrophobicContact CD2-CB 4.17Å; L94-R112 HydrophobicContact CD2-CG 4.39Å; L94-R112 PolarHBondContact O-NH1 2.88Å; V109-R112 HydrophobicContact CG1-CG 4.01Å; R112-C114 PolarHBondContact O-N 3.16Å
113F98.8Very high98.5Very high39 Ų3957.4 Ų57.417%0.17131%0.309CS..EExtended strand (participates in β ladder)trans-84.7108.7-177.9-56.5-77.8000110.5D85 M86 V87 E88 E111 I115 F120 P123D85-F113 HydrophobicContact CB-CE2 4.12Å; M86-F113 PolarHBondContact O-N 2.92Å; V87-F113 WeakPolarHBondContact CA-O 3.43Å; V87-F113 HydrophobicContact CB-CB 4.06Å; V87-F113 HydrophobicContact CG2-CB 4Å; E88-F113 PolarHBondContact N-O 2.75Å; E111-F113 HydrophobicContact CB-CD2 4.17Å; E111-F113 HydrophobicContact CB-CE1 3.95Å; E111-F113 HydrophobicContact CB-CE2 3.51Å; E111-F113 HydrophobicContact CB-CZ 3.39Å; E111-F113 HydrophobicContact CG-CE1 4.47Å; E111-F113 HydrophobicContact CG-CE2 4.48Å; E111-F113 HydrophobicContact CG-CZ 3.96Å; E111-F113 WeakPolarHBondContact OE1-CE1 3.5Å; E111-F113 WeakPolarHBondContact OE2-CZ 3.33Å; F113-I115 HydrophobicContact CB-CG2 3.93Å; F113-I115 PolarHBondContact O-N 3.2Å; F113-F120 HydrophobicContact CB-CD2 4.34Å; F113-F120 HydrophobicContact CB-CE2 3.89Å; F113-F120 AromaticContact CD1-CE2 3.93Å; F113-F120 HydrophobicContact CD1-CE2 3.93Å; F113-F120 AromaticContact CD2-CE2 3.74Å; F113-F120 HydrophobicContact CD2-CE2 3.74Å; F113-F120 AromaticContact CD2-CZ 3.74Å; F113-F120 HydrophobicContact CD2-CZ 3.74Å; F113-F120 HydrophobicContact CE1-CE2 4.37Å; F113-F120 HydrophobicContact CE2-CE2 4.18Å; F113-F120 HydrophobicContact CE2-CZ 4.02Å; F113-F120 HydrophobicContact CG-CD2 4.45Å; F113-F120 AromaticContact CG-CE2 3.58Å; F113-F120 HydrophobicContact CG-CE2 3.58Å; F113-F120 HydrophobicContact CG-CZ 4.08Å; F113-F120 HydrophobicContact CZ-CE2 4.47Å; F113-P123 HydrophobicContact CZ-CG 4.37Å
114C98.7Very high98.5Very high54 Ų5456.4 Ų56.437%0.36530%0.3SS..EExtended strand (participates in β ladder)trans-85.181.8173.4-169.50000111.2E88 Q91 L94 R112E88-C114 CarbonylContact O-C 3.53Å; E88-C114 WeakPolarHBondContact O-CA 3.22Å; Q91-C114 PolarHBondContact OE1-SG 3.06Å; Q91-C114 VanDerWaalsContact OE1-SG 3.41Å; L94-C114 HydrophobicContact CD1-CB 3.74Å; R112-C114 PolarHBondContact O-N 3.16Å
115I98.7Very high98.5Very high59 Ų5949.8 Ų49.830%0.30328%0.278SS..SBendtrans-157.1145.7-174.5-175.6166.3000111V87 E88 F113 D119 F120V87-I115 HydrophobicContact CG2-CG2 3.76Å; V87-I115 WeakPolarHBondContact CG2-O 3.5Å; E88-I115 PolarHBondContact O-N 3.45Å; F113-I115 HydrophobicContact CB-CG2 3.93Å; F113-I115 PolarHBondContact O-N 3.2Å; I115-D119 HydrophobicContact CD1-CB 3.87Å; I115-D119 HydrophobicContact CG1-CB 4.05Å; I115-F120 HydrophobicContact CG2-CB 3.89Å; I115-F120 HydrophobicContact CG2-CD2 3.54Å; I115-F120 HydrophobicContact CG2-CE2 4.43Å; I115-F120 HydrophobicContact CG2-CG 4Å
116G98.5Very high98.5Very high6 Ų651.3 Ų51.36%0.06228%0.281CS..  trans-71.4144.6174.200000112Q118 D119 F120G116-Q118 VanDerWaalsContact C-OE1 3.27Å; G116-Q118 PolarHBondContact O-N 2.9Å; G116-Q118 VanDerWaalsContact O-N 3.12Å; G116-D119 PolarHBondContact O-N 3.09Å; G116-F120 PolarHBondContact O-N 2.95Å
117L98.8Very high98.5Very high9 Ų950.2 Ų50.25%0.04728%0.276CS..THydrogen-bonded Turntrans-61.9-23.5-176.4-60-173.5000113.3C65 V87 D119 F120 V135 L139 F147 R150C65-L117 HydrophobicContact CB-CD1 4.14Å; C65-L117 HydrophobicContact CB-CD2 4.18Å; V87-L117 HydrophobicContact CB-CD2 4.44Å; V87-L117 HydrophobicContact CG1-CD2 3.64Å; V87-L117 HydrophobicContact CG2-CD2 3.89Å; L117-D119 PolarHBondContact O-N 3.44Å; L117-F120 HydrophobicContact CD2-CB 4.49Å; L117-F120 HydrophobicContact CD2-CD1 4.38Å; L117-F120 PolarHBondContact O-N 3.3Å; L117-V135 HydrophobicContact CD1-CB 4.17Å; L117-V135 HydrophobicContact CD1-CG1 3.47Å; L117-V135 VanDerWaalsContact CD1-CG1 3.47Å; L117-V135 HydrophobicContact CD1-CG2 3.63Å; L117-V135 HydrophobicContact CG-CG2 4.33Å; L117-L139 HydrophobicContact CB-CD1 4.25Å; L117-L139 HydrophobicContact CB-CD2 4.03Å; L117-F147 HydrophobicContact CB-CD1 4.37Å; L117-F147 HydrophobicContact CB-CD2 4.23Å; L117-F147 HydrophobicContact CB-CE1 4.26Å; L117-F147 HydrophobicContact CB-CE2 4.14Å; L117-F147 HydrophobicContact CB-CG 4.35Å; L117-F147 HydrophobicContact CB-CZ 4.15Å; L117-F147 HydrophobicContact CD1-CD1 4.47Å; L117-F147 HydrophobicContact CD1-CE1 3.8Å; L117-F147 HydrophobicContact CD1-CZ 3.95Å; L117-F147 HydrophobicContact CD2-CE1 4.47Å; L117-F147 HydrophobicContact CD2-CE2 4.04Å; L117-F147 HydrophobicContact CD2-CZ 3.79Å; L117-F147 HydrophobicContact CG-CE1 4.41Å; L117-F147 HydrophobicContact CG-CZ 4.18Å; L117-F147 VanDerWaalsContact O-CD2 3.3Å; L117-F147 WeakPolarHBondContact O-CD2 3.47Å; L117-R150 PolarHBondContact O-NH2 3.31Å
118Q97.9Very high98.5Very high42 Ų4246 Ų4620%0.19625%0.248CC..THydrogen-bonded Turntrans-60.9-31175.373.2-71.7-11.200112Y15 G116 L139 A143 R150Y15-Q118 HydrophobicContact CD1-CB 4.46Å; Y15-Q118 HydrophobicContact CD1-CG 4.03Å; Y15-Q118 HydrophobicContact CE1-CB 3.72Å; Y15-Q118 HydrophobicContact CE1-CG 3.77Å; Y15-Q118 HydrophobicContact CE2-CG 4.43Å; Y15-Q118 HydrophobicContact CG-CG 4.48Å; G116-Q118 VanDerWaalsContact C-OE1 3.27Å; G116-Q118 PolarHBondContact O-N 2.9Å; G116-Q118 VanDerWaalsContact O-N 3.12Å; Q118-L139 HydrophobicContact CB-CD2 3.75Å; Q118-A143 HydrophobicContact CB-CB 4.03Å; Q118-R150 PolarHBondContact O-NH2 3.03Å
119D98.4Very high98.5Very high106 Ų10642.3 Ų42.357%0.56723%0.234SC*.THydrogen-bonded Turntrans-107.6-15.4-177.4-58.5-50.4000113.2I115 G116 L117I115-D119 HydrophobicContact CD1-CB 3.87Å; I115-D119 HydrophobicContact CG1-CB 4.05Å; G116-D119 PolarHBondContact O-N 3.09Å; L117-D119 PolarHBondContact O-N 3.44Å
120F98.8Very high98.5Very high7 Ų741.5 Ų41.53%0.03123%0.229CC..  trans-74.1134.5-176.5-177.5-122000113.4L63 V87 F113 I115 G116 L117 P122 F147 R150L63-F120 HydrophobicContact CD1-CE1 4.33Å; L63-F120 HydrophobicContact CD1-CZ 4.44Å; L63-F120 HydrophobicContact CD2-CE1 3.75Å; L63-F120 HydrophobicContact CD2-CZ 4.4Å; V87-F120 HydrophobicContact CB-CD1 4.11Å; V87-F120 HydrophobicContact CB-CE1 4Å; V87-F120 HydrophobicContact CB-CG 4.45Å; V87-F120 HydrophobicContact CB-CZ 4.22Å; V87-F120 HydrophobicContact CG1-CD1 3.92Å; V87-F120 HydrophobicContact CG1-CE1 3.83Å; V87-F120 HydrophobicContact CG1-CZ 4.5Å; V87-F120 HydrophobicContact CG2-CB 4.2Å; V87-F120 HydrophobicContact CG2-CD1 3.8Å; V87-F120 HydrophobicContact CG2-CD2 4.02Å; V87-F120 HydrophobicContact CG2-CE1 4.16Å; V87-F120 HydrophobicContact CG2-CE2 4.35Å; V87-F120 HydrophobicContact CG2-CG 3.73Å; V87-F120 HydrophobicContact CG2-CZ 4.42Å; F113-F120 HydrophobicContact CB-CD2 4.34Å; F113-F120 HydrophobicContact CB-CE2 3.89Å; F113-F120 AromaticContact CD1-CE2 3.93Å; F113-F120 HydrophobicContact CD1-CE2 3.93Å; F113-F120 AromaticContact CD2-CE2 3.74Å; F113-F120 HydrophobicContact CD2-CE2 3.74Å; F113-F120 AromaticContact CD2-CZ 3.74Å; F113-F120 HydrophobicContact CD2-CZ 3.74Å; F113-F120 HydrophobicContact CE1-CE2 4.37Å; F113-F120 HydrophobicContact CE2-CE2 4.18Å; F113-F120 HydrophobicContact CE2-CZ 4.02Å; F113-F120 HydrophobicContact CG-CD2 4.45Å; F113-F120 AromaticContact CG-CE2 3.58Å; F113-F120 HydrophobicContact CG-CE2 3.58Å; F113-F120 HydrophobicContact CG-CZ 4.08Å; F113-F120 HydrophobicContact CZ-CE2 4.47Å; I115-F120 HydrophobicContact CG2-CB 3.89Å; I115-F120 HydrophobicContact CG2-CD2 3.54Å; I115-F120 HydrophobicContact CG2-CE2 4.43Å; I115-F120 HydrophobicContact CG2-CG 4Å; G116-F120 PolarHBondContact O-N 2.95Å; L117-F120 HydrophobicContact CD2-CB 4.49Å; L117-F120 HydrophobicContact CD2-CD1 4.38Å; L117-F120 PolarHBondContact O-N 3.3Å; F120-P122 HydrophobicContact CD1-CG 4.19Å; F120-P122 HydrophobicContact CE1-CB 4.26Å; F120-P122 HydrophobicContact CE1-CG 3.77Å; F120-F147 HydrophobicContact CD1-CE2 4.07Å; F120-R150 PolarHBondContact O-NE 2.77Å; F120-R150 PolarHBondContact O-NH2 2.95Å
121T98.7Very high98.5Very high81 Ų8140.1 Ų40.150%0.49722%0.215SC..  trans-120.1112.5172.1-54.90000109.1R150T121-R150 HydrophobicContact CG2-CB 4.36Å; T121-R150 HydrophobicContact CG2-CG 4.38Å; T121-R150 VanDerWaalsContact OG1-CD 3.24Å; T121-R150 WeakPolarHBondContact OG1-CD 3.42Å
122P98.7Very high98.5Very high2 Ų236.1 Ų36.11%0.01320%0.197CC..PPolyproline II helixtrans-57136.4173.1-25.436.2000110.7L63 F120 T124 Y127 I130L63-P122 HydrophobicContact CD2-CB 4.17Å; L63-P122 HydrophobicContact CD2-CG 4.07Å; F120-P122 HydrophobicContact CD1-CG 4.19Å; F120-P122 HydrophobicContact CE1-CB 4.26Å; F120-P122 HydrophobicContact CE1-CG 3.77Å; P122-T124 PolarHBondContact O-N 2.98Å; P122-Y127 HydrophobicContact CB-CD2 4.09Å; P122-Y127 HydrophobicContact CB-CE2 3.73Å; P122-I130 HydrophobicContact CB-CD1 4.48Å
123P98.3Very high98.5Very high33 Ų3331.5 Ų31.521%0.21418%0.18CC..PPolyproline II helixtrans-53.6129.5172-34.141.7000112.2F113 G125 R126 Y127F113-P123 HydrophobicContact CZ-CG 4.37Å; P123-G125 PolarHBondContact O-N 3.41Å; P123-R126 HydrophobicContact CB-CB 4.29Å; P123-R126 VanDerWaalsContact CG-CZ 3.43Å; P123-R126 WeakPolarHBondContact O-CB 3.34Å; P123-R126 PolarHBondContact O-N 3.26Å; P123-Y127 WeakPolarHBondContact CD-OH 3.47Å
124T97.7Very high98.5Very high97 Ų9732.5 Ų32.560%0.59518%0.182SC*.THydrogen-bonded Turntrans-58.3131.3-172.3-56.70000112.1P122 R126 H153 P238P122-T124 PolarHBondContact O-N 2.98Å; T124-R126 VanDerWaalsContact C-N 3.26Å; T124-R126 PolarHBondContact O-N 3.08Å; T124-H153 VanDerWaalsContact CA-O 3.32Å; T124-H153 WeakPolarHBondContact CA-O 3.35Å; T124-H153 WeakPolarHBondContact CG2-O 3.49Å; T124-P238 VanDerWaalsContact CG2-O 3.32Å; T124-P238 WeakPolarHBondContact CG2-O 3.08Å
125G97Very high98.5Very high32 Ų3230.9 Ų30.933%0.3317%0.171SC..THydrogen-bonded Turntrans70.912.417200000116P123 H153 G154 L155P123-G125 PolarHBondContact O-N 3.41Å; G125-H153 PolarHBondContact N-O 2.86Å; G125-G154 CarbonylContact C-O 3.59Å; G125-G154 PolarHBondContact N-O 3.49Å; G125-L155 VanDerWaalsContact CA-O 3.31Å; G125-L155 WeakPolarHBondContact CA-O 3.5Å
126R98.1Very high98.5Very high73 Ų7328.1 Ų28.128%0.27516%0.157SC..  trans-87.3-41.1-169.7-177.1-179.3-69.4178.60.1113.8Y61 D85 E111 P123 T124 G154Y61-R126 WeakPolarHBondContact CB-O 3.06Å; Y61-R126 HydrophobicContact CD1-CG 4.25Å; Y61-R126 HydrophobicContact CD2-CG 4.01Å; Y61-R126 HydrophobicContact CE1-CG 4.46Å; Y61-R126 HydrophobicContact CE2-CG 4.22Å; Y61-R126 HydrophobicContact CG-CG 4.02Å; D85-R126 IonicContact OD2-NH1 2.7Å; D85-R126 PolarHBondContact OD2-NH1 2.91Å; E111-R126 IonicContact OE2-CZ 3.75Å; E111-R126 IonicContact OE2-NH1 2.85Å; E111-R126 PolarHBondContact OE2-NH1 3.13Å; E111-R126 IonicContact OE2-NH2 3.23Å; E111-R126 PolarHBondContact OE2-NH2 2.8Å; E111-R126 VanDerWaalsContact OE2-NH2 3.14Å; P123-R126 HydrophobicContact CB-CB 4.29Å; P123-R126 VanDerWaalsContact CG-CZ 3.43Å; P123-R126 WeakPolarHBondContact O-CB 3.34Å; P123-R126 PolarHBondContact O-N 3.26Å; T124-R126 VanDerWaalsContact C-N 3.26Å; T124-R126 PolarHBondContact O-N 3.08Å; R126-G154 PolarHBondContact N-O 3.08Å
127Y98.8Very high98.5Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-100.7125.9-159.4-58.8-68.2000112.5Y61 L63 D85 P122 P123 L129 I130 G154 L155 S156Y61-Y127 AromaticContact CD1-CD1 3.68Å; Y61-Y127 HydrophobicContact CD1-CD1 3.68Å; Y61-Y127 AromaticContact CD1-CE1 3.62Å; Y61-Y127 HydrophobicContact CD1-CE1 3.62Å; Y61-Y127 HydrophobicContact CE1-CD1 4.34Å; Y61-Y127 AromaticContact CE1-CE1 3.8Å; Y61-Y127 HydrophobicContact CE1-CE1 3.8Å; Y61-Y127 HydrophobicContact CG-CD1 4.36Å; L63-Y127 HydrophobicContact CB-CD1 3.66Å; L63-Y127 HydrophobicContact CB-CD2 4.17Å; L63-Y127 HydrophobicContact CB-CE1 3.65Å; L63-Y127 HydrophobicContact CB-CE2 4.16Å; L63-Y127 HydrophobicContact CB-CG 3.91Å; L63-Y127 HydrophobicContact CD1-CE1 4.48Å; L63-Y127 HydrophobicContact CD2-CD2 4.25Å; L63-Y127 HydrophobicContact CD2-CE2 3.92Å; L63-Y127 HydrophobicContact CG-CE1 4.5Å; L63-Y127 HydrophobicContact CG-CE2 4.5Å; D85-Y127 HydrophobicContact CB-CE1 3.95Å; D85-Y127 WeakPolarHBondContact OD2-CE1 3.31Å; D85-Y127 PolarHBondContact OD2-OH 3.31Å; P122-Y127 HydrophobicContact CB-CD2 4.09Å; P122-Y127 HydrophobicContact CB-CE2 3.73Å; P123-Y127 WeakPolarHBondContact CD-OH 3.47Å; Y127-L129 VanDerWaalsContact C-N 3.34Å; Y127-I130 HydrophobicContact CD2-CD1 4.15Å; Y127-I130 HydrophobicContact CD2-CG1 4.07Å; Y127-I130 HydrophobicContact CG-CG1 4.08Å; Y127-G154 PolarHBondContact N-O 3.28Å; Y127-L155 CarbonylContact O-C 3.59Å; Y127-L155 WeakPolarHBondContact O-CA 3.16Å; Y127-S156 PolarHBondContact O-N 2.91Å; Y127-S156 PolarHBondContact O-OG 3.46Å
128D98.8Very high98.5Very high11 Ų1128.8 Ų28.86%0.05916%0.159CC..EExtended strand (participates in β ladder)trans-72-35.1167.4-54.8-47.4000110.5P56 T58 A60 Y61 F81 S156 G159 V160P56-D128 HydrophobicContact CB-CB 4.08Å; P56-D128 WeakPolarHBondContact CB-O 3.27Å; P56-D128 HydrophobicContact CG-CB 4.05Å; P56-D128 WeakPolarHBondContact CG-O 3.38Å; T58-D128 WeakPolarHBondContact O-CB 3.38Å; T58-D128 PolarHBondContact OG1-OD1 3.32Å; A60-D128 WeakPolarHBondContact CA-OD2 3.31Å; A60-D128 WeakPolarHBondContact CB-OD2 3.4Å; A60-D128 PolarHBondContact N-OD2 3.17Å; Y61-D128 PolarHBondContact N-OD2 2.7Å; Y61-D128 PolarHBondContact O-N 2.98Å; F81-D128 HydrophobicContact CE1-CB 4.25Å; D128-S156 WeakPolarHBondContact CA-OG 3.33Å; D128-S156 PolarHBondContact OD1-OG 2.71Å; D128-G159 CarbonylContact O-C 3.57Å; D128-G159 WeakPolarHBondContact O-CA 3.34Å; D128-V160 PolarHBondContact O-N 3.13Å
129L98.9Very high98.5Very high0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-129.8130.1173.318069000110.9L51 P56 Y61 A62 L63 L77 F81 Y127 W131 V160 V162L51-L129 HydrophobicContact CD1-CD2 4.17Å; L51-L129 HydrophobicContact CD2-CD1 4.1Å; L51-L129 HydrophobicContact CD2-CD2 3.99Å; P56-L129 HydrophobicContact CG-CB 4.12Å; Y61-L129 PolarHBondContact O-N 3.33Å; A62-L129 CarbonylContact C-O 3.59Å; A62-L129 WeakPolarHBondContact CA-O 3.03Å; A62-L129 HydrophobicContact CB-CB 4.08Å; L63-L129 PolarHBondContact N-O 3.04Å; L77-L129 HydrophobicContact CD2-CD2 3.66Å; F81-L129 HydrophobicContact CE1-CB 3.66Å; F81-L129 HydrophobicContact CE1-CD2 4.46Å; F81-L129 HydrophobicContact CE2-CB 4.22Å; F81-L129 HydrophobicContact CE2-CD2 3.48Å; F81-L129 VanDerWaalsContact CE2-CD2 3.48Å; F81-L129 HydrophobicContact CZ-CB 3.42Å; F81-L129 VanDerWaalsContact CZ-CB 3.42Å; F81-L129 HydrophobicContact CZ-CD2 3.47Å; F81-L129 VanDerWaalsContact CZ-CD2 3.47Å; F81-L129 HydrophobicContact CZ-CG 4.07Å; Y127-L129 VanDerWaalsContact C-N 3.34Å; L129-W131 HydrophobicContact CD2-CB 4.42Å; L129-W131 HydrophobicContact CD2-CE3 4.39Å; L129-W131 HydrophobicContact CG-CB 4.5Å; L129-V160 WeakPolarHBondContact CA-O 3.37Å; L129-V160 HydrophobicContact CD1-CB 4.49Å; L129-V162 HydrophobicContact CD1-CB 4.21Å; L129-V162 HydrophobicContact CD1-CG2 3.68Å
130I99Very high98.4Very high0 Ų022.9 Ų22.90%013%0.131CC..EExtended strand (participates in β ladder)trans-109107.5161.3-61.3175.4000107.2L63 P122 Y127 I132 C151 L155 V160 I161 V162L63-I130 HydrophobicContact CB-CG1 4.31Å; L63-I130 HydrophobicContact CD2-CG1 4.32Å; L63-I130 HydrophobicContact CD2-CG2 4.05Å; P122-I130 HydrophobicContact CB-CD1 4.48Å; Y127-I130 HydrophobicContact CD2-CD1 4.15Å; Y127-I130 HydrophobicContact CD2-CG1 4.07Å; Y127-I130 HydrophobicContact CG-CG1 4.08Å; I130-I132 HydrophobicContact CG2-CD1 4.12Å; I130-I132 HydrophobicContact CG2-CG1 3.94Å; I130-C151 HydrophobicContact CD1-CB 3.9Å; I130-C151 VanDerWaalsContact CD1-O 3.27Å; I130-C151 WeakPolarHBondContact CD1-O 3.34Å; I130-C151 HydrophobicContact CG2-CB 4.49Å; I130-L155 HydrophobicContact CB-CD2 4.49Å; I130-L155 HydrophobicContact CD1-CD2 3.86Å; I130-L155 HydrophobicContact CD1-CG 4.32Å; I130-L155 HydrophobicContact CG1-CD2 3.92Å; I130-V160 PolarHBondContact N-O 3.14Å; I130-I161 HydrophobicContact CB-CG1 4.13Å; I130-I161 HydrophobicContact CD1-CG1 4.43Å; I130-I161 CarbonylContact O-C 3.43Å; I130-I161 WeakPolarHBondContact O-CA 3.3Å; I130-V162 PolarHBondContact O-N 3.14Å
131W99Very high98.2Very high0 Ų026.5 Ų26.50%015%0.15CC..EExtended strand (participates in β ladder)trans-92130.7176.7-175-91.7000110.1L51 L63 C65 V72 L76 L77 L129 Q133 V162 K164L51-W131 HydrophobicContact CD1-CZ3 4.25Å; L51-W131 HydrophobicContact CD2-CE3 4.26Å; L51-W131 HydrophobicContact CD2-CZ3 3.96Å; L51-W131 HydrophobicContact CG-CZ3 4.04Å; L63-W131 PolarHBondContact O-N 2.94Å; C65-W131 WeakPolarHBondContact CB-O 3.5Å; C65-W131 PolarHBondContact N-O 3.45Å; V72-W131 HydrophobicContact CG1-CD2 4.5Å; V72-W131 HydrophobicContact CG1-CG 4.33Å; L76-W131 HydrophobicContact CD2-CD2 4.18Å; L76-W131 HydrophobicContact CD2-CE3 4.1Å; L76-W131 HydrophobicContact CD2-CH2 3.71Å; L76-W131 HydrophobicContact CD2-CZ2 3.77Å; L76-W131 HydrophobicContact CD2-CZ3 3.86Å; L77-W131 HydrophobicContact CD1-CB 4.16Å; L77-W131 HydrophobicContact CD2-CB 4.29Å; L77-W131 HydrophobicContact CD2-CG 4.46Å; L129-W131 HydrophobicContact CD2-CB 4.42Å; L129-W131 HydrophobicContact CD2-CE3 4.39Å; L129-W131 HydrophobicContact CG-CB 4.5Å; W131-Q133 VanDerWaalsContact NE1-CB 3.33Å; W131-Q133 VanDerWaalsContact NE1-OE1 3.07Å; W131-V162 HydrophobicContact CD2-CG1 4.46Å; W131-V162 HydrophobicContact CE3-CB 3.66Å; W131-V162 HydrophobicContact CE3-CG1 3.62Å; W131-V162 HydrophobicContact CE3-CG2 4.38Å; W131-V162 HydrophobicContact CH2-CG1 3.92Å; W131-V162 HydrophobicContact CZ3-CB 3.84Å; W131-V162 HydrophobicContact CZ3-CG1 3.31Å; W131-V162 HydrophobicContact CZ3-CG2 4.4Å; W131-K164 HydrophobicContact CH2-CD 4.36Å; W131-K164 HydrophobicContact CZ2-CB 4.24Å; W131-K164 HydrophobicContact CZ2-CD 3.94Å
132I99Very high98.1Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-135.4112.8-178.2-49.2170.4000107.9C65 I130 V135 L136 F147 I161 V162 I163 K164C65-I132 HydrophobicContact CB-CB 4.29Å; C65-I132 HydrophobicContact CB-CG1 3.92Å; C65-I132 HydrophobicContact CB-CG2 4.19Å; I130-I132 HydrophobicContact CG2-CD1 4.12Å; I130-I132 HydrophobicContact CG2-CG1 3.94Å; I132-V135 HydrophobicContact CG2-CG1 3.49Å; I132-V135 VanDerWaalsContact CG2-CG1 3.49Å; I132-L136 HydrophobicContact CG2-CD1 4.09Å; I132-L136 HydrophobicContact CG2-CD2 3.67Å; I132-L136 HydrophobicContact CG2-CG 3.62Å; I132-F147 HydrophobicContact CD1-CE1 3.88Å; I132-F147 HydrophobicContact CG1-CE1 4.49Å; I132-I161 HydrophobicContact CD1-CG2 3.71Å; I132-I161 HydrophobicContact CG1-CG2 4.47Å; I132-V162 PolarHBondContact N-O 3.18Å; I132-I163 HydrophobicContact CB-CG1 4.27Å; I132-I163 HydrophobicContact CD1-CG1 4.04Å; I132-I163 CarbonylContact O-C 3.58Å; I132-I163 WeakPolarHBondContact O-CA 3.42Å; I132-K164 PolarHBondContact O-N 3.48Å
133Q98.8Very high98.1Very high11 Ų1130 Ų305%0.05117%0.167CC..EExtended strand (participates in β ladder)trans-133.2125.2-176.7176.2171.1-8.100112.1D43 R71 W131 V135 K164D43-Q133 VanDerWaalsContact CG-NE2 3.27Å; D43-Q133 PolarHBondContact OD1-NE2 2.99Å; D43-Q133 PolarHBondContact OD2-NE2 3.27Å; R71-Q133 VanDerWaalsContact NH2-NE2 3.16Å; W131-Q133 VanDerWaalsContact NE1-CB 3.33Å; W131-Q133 VanDerWaalsContact NE1-OE1 3.07Å; Q133-V135 VanDerWaalsContact C-N 3.29Å; Q133-V135 PolarHBondContact O-N 2.7Å; Q133-K164 VanDerWaalsContact CA-O 3.31Å; Q133-K164 WeakPolarHBondContact CA-O 3.41Å; Q133-K164 HydrophobicContact CB-CB 4.11Å; Q133-K164 HydrophobicContact CG-CB 4.03Å; Q133-K164 HydrophobicContact CG-CD 4.27Å; Q133-K164 HydrophobicContact CG-CG 4.21Å
134W98.7Very high98.1Very high59 Ų5928.7 Ų28.722%0.22316%0.158CC..SBendtrans4945.2175.2-61.7-36.4000114.7L33 K164 E165 N166 F220 V227L33-W134 HydrophobicContact CD2-CH2 4.45Å; L33-W134 HydrophobicContact CD2-CZ3 3.64Å; W134-K164 PolarHBondContact N-O 3.46Å; W134-E165 WeakPolarHBondContact CA-OE1 3.39Å; W134-E165 WeakPolarHBondContact CA-OE2 3.35Å; W134-E165 PolarHBondContact N-OE1 2.83Å; W134-N166 PolarHBondContact NE1-OD1 2.95Å; W134-F220 HydrophobicContact CH2-CE2 4.04Å; W134-F220 HydrophobicContact CH2-CZ 4.09Å; W134-F220 AromaticContact CZ2-CE2 3.87Å; W134-F220 HydrophobicContact CZ2-CE2 3.87Å; W134-F220 HydrophobicContact CZ2-CZ 4.26Å; W134-V227 HydrophobicContact CZ2-CG1 4.4Å; W134-V227 HydrophobicContact CZ2-CG2 4.14Å
135V98.8Very high98.1Very high21 Ų2126.2 Ų26.213%0.12714%0.141CC..  trans-139.5-17.9-177.169.60000112.8C65 L117 I132 Q133 G137 H138 E165C65-V135 WeakPolarHBondContact O-CG1 3.41Å; L117-V135 HydrophobicContact CD1-CB 4.17Å; L117-V135 HydrophobicContact CD1-CG1 3.47Å; L117-V135 VanDerWaalsContact CD1-CG1 3.47Å; L117-V135 HydrophobicContact CD1-CG2 3.63Å; L117-V135 HydrophobicContact CG-CG2 4.33Å; I132-V135 HydrophobicContact CG2-CG1 3.49Å; I132-V135 VanDerWaalsContact CG2-CG1 3.49Å; Q133-V135 VanDerWaalsContact C-N 3.29Å; Q133-V135 PolarHBondContact O-N 2.7Å; V135-G137 PolarHBondContact O-N 2.91Å; V135-H138 PolarHBondContact O-N 3.13Å; V135-E165 PolarHBondContact N-OE1 3.22Å
136L98.8Very high98.2Very high0 Ų025.8 Ų25.80%014%0.136CC..G310 helixtrans-70.9-19.1177.2-62.9-177.3000112.3I132 H138 L139 L144 F147 I163 E165 R195 Y200I132-L136 HydrophobicContact CG2-CD1 4.09Å; I132-L136 HydrophobicContact CG2-CD2 3.67Å; I132-L136 HydrophobicContact CG2-CG 3.62Å; L136-H138 PolarHBondContact O-N 2.75Å; L136-L139 HydrophobicContact CD2-CD1 3.87Å; L136-L139 PolarHBondContact O-N 2.88Å; L136-L139 VanDerWaalsContact O-N 3.16Å; L136-L144 HydrophobicContact CB-CD1 4.19Å; L136-L144 HydrophobicContact CD1-CD1 3.91Å; L136-L144 HydrophobicContact CD2-CD1 3.84Å; L136-L144 HydrophobicContact CG-CD1 4.21Å; L136-F147 HydrophobicContact CD2-CD1 3.9Å; L136-F147 HydrophobicContact CD2-CE1 4.06Å; L136-I163 HydrophobicContact CD1-CB 4.46Å; L136-I163 HydrophobicContact CD1-CD1 3.92Å; L136-I163 HydrophobicContact CD1-CG1 4.05Å; L136-I163 HydrophobicContact CD1-CG2 3.57Å; L136-E165 HydrophobicContact CB-CG 4.3Å; L136-E165 WeakPolarHBondContact CB-OE1 3.38Å; L136-E165 HydrophobicContact CD1-CG 4.38Å; L136-E165 PolarHBondContact N-OE1 3.21Å; L136-R195 PolarHBondContact O-NH1 2.8Å; L136-Y200 HydrophobicContact CB-CE1 4.36Å; L136-Y200 HydrophobicContact CD1-CE1 4.12Å
137G98.2Very high98.2Very high5 Ų522.3 Ų22.35%0.05212%0.123CC..G310 helixtrans-57.8-27.416800000113V135 L139 S192 Y193V135-G137 PolarHBondContact O-N 2.91Å; G137-L139 VanDerWaalsContact C-N 3.28Å; G137-L139 PolarHBondContact O-N 3.26Å; G137-S192 CarbonylContact O-C 3.56Å; G137-S192 WeakPolarHBondContact O-CA 3.21Å; G137-Y193 WeakPolarHBondContact CA-O 3.43Å; G137-Y193 PolarHBondContact O-N 3.41Å
138H98.3Very high98.2Very high25 Ų2522.3 Ų22.312%0.11612%0.123CC..G310 helixtrans-87.813.8178.2-60.8-63.9000114.2F14 Y15 W22 V135 L136 D190F14-H138 VanDerWaalsContact CE1-O 3.26Å; F14-H138 WeakPolarHBondContact CE1-O 3.2Å; Y15-H138 VanDerWaalsContact CE1-O 3.28Å; Y15-H138 WeakPolarHBondContact CE1-O 3.4Å; W22-H138 AromaticContact CE2-NE2 3.66Å; W22-H138 AromaticContact CZ2-NE2 3.77Å; W22-H138 AromaticContact NE1-CD2 3.78Å; W22-H138 AromaticContact NE1-CE1 3.25Å; W22-H138 PolarHBondContact NE1-CE1 3.35Å; W22-H138 VanDerWaalsContact NE1-CE1 3.25Å; W22-H138 AromaticContact NE1-NE2 2.96Å; W22-H138 PolarHBondContact NE1-NE2 3.42Å; V135-H138 PolarHBondContact O-N 3.13Å; L136-H138 PolarHBondContact O-N 2.75Å; H138-D190 PolarHBondContact CE1-O 3.16Å; H138-D190 IonicContact CE1-OD2 3.14Å
139L98.3Very high98.2Very high2 Ų226.5 Ų26.51%0.0114%0.141CC..SBendtrans-110.5140.1171.9-62.9-176.6000110.2Y15 L117 Q118 L136 G137 A143 L144 F147 R195Y15-L139 HydrophobicContact CE1-CD2 4.33Å; L117-L139 HydrophobicContact CB-CD1 4.25Å; L117-L139 HydrophobicContact CB-CD2 4.03Å; Q118-L139 HydrophobicContact CB-CD2 3.75Å; L136-L139 HydrophobicContact CD2-CD1 3.87Å; L136-L139 PolarHBondContact O-N 2.88Å; L136-L139 VanDerWaalsContact O-N 3.16Å; G137-L139 VanDerWaalsContact C-N 3.28Å; G137-L139 PolarHBondContact O-N 3.26Å; L139-A143 HydrophobicContact CB-CB 4.21Å; L139-A143 HydrophobicContact CD2-CB 4.18Å; L139-L144 HydrophobicContact CB-CB 4.2Å; L139-F147 HydrophobicContact CD1-CB 3.84Å; L139-F147 HydrophobicContact CD1-CD1 3.83Å; L139-F147 HydrophobicContact CD1-CG 4.06Å; L139-R195 PolarHBondContact O-NH2 2.99Å
140S96Very high98.2Very high21 Ų2128.6 Ų28.615%0.14715%0.149CC..  trans-66.2161.5161.570.80000109.8Y15 L142 A143 L144Y15-S140 PolarHBondContact OH-N 3.44Å; Y15-S140 PolarHBondContact OH-OG 2.88Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 PolarHBondContact O-N 2.99Å; S140-A143 CarbonylContact O-C 3.57Å; S140-A143 PolarHBondContact O-N 3.08Å; S140-A143 PolarHBondContact OG-N 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.32Å; S140-L144 PolarHBondContact O-N 2.85Å
141D95.3Very high98.1Very high84 Ų8428.6 Ų28.645%0.44915%0.149SC..Hα-helixtrans-59.6-38.9-177.3-62.2-20.9000112.5A143 L144 L145 R195D141-A143 PolarHBondContact O-N 2.96Å; D141-L144 WeakPolarHBondContact O-CB 3.43Å; D141-L144 PolarHBondContact O-N 3.08Å; D141-L145 WeakPolarHBondContact O-CG 3.28Å; D141-L145 PolarHBondContact O-N 2.99Å; D141-R195 IonicContact OD1-CZ 3.41Å; D141-R195 IonicContact OD1-NE 2.68Å; D141-R195 PolarHBondContact OD1-NE 3.49Å; D141-R195 IonicContact OD1-NH2 2.83Å; D141-R195 PolarHBondContact OD1-NH2 3.47Å
142L95.7Very high98.1Very high143 Ų14328.7 Ų28.775%0.74915%0.15SC*.Hα-helixtrans-64.6-39.9175-176.862.2000112.1S140 G146S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 PolarHBondContact O-N 2.99Å; L142-G146 PolarHBondContact O-N 3.46Å
143A97.6Very high98Very high13 Ų1329.7 Ų29.711%0.10715%0.154CC..Hα-helixtrans-71.4-34.6177.900000112Y15 Q118 L139 S140 D141 G146 F147Y15-A143 WeakPolarHBondContact OH-CB 3.12Å; Q118-A143 HydrophobicContact CB-CB 4.03Å; L139-A143 HydrophobicContact CB-CB 4.21Å; L139-A143 HydrophobicContact CD2-CB 4.18Å; S140-A143 CarbonylContact O-C 3.57Å; S140-A143 PolarHBondContact O-N 3.08Å; S140-A143 PolarHBondContact OG-N 3.26Å; D141-A143 PolarHBondContact O-N 2.96Å; A143-G146 PolarHBondContact O-N 3.37Å; A143-F147 WeakPolarHBondContact O-CB 3.25Å; A143-F147 PolarHBondContact O-N 2.85Å
144L98.5Very high98Very high5 Ų529.1 Ų29.13%0.02615%0.152CC..Hα-helixtrans-58.9-52.8172.2172.661.2000110.5L136 L139 S140 D141 G146 F147 L148 A203L136-L144 HydrophobicContact CB-CD1 4.19Å; L136-L144 HydrophobicContact CD1-CD1 3.91Å; L136-L144 HydrophobicContact CD2-CD1 3.84Å; L136-L144 HydrophobicContact CG-CD1 4.21Å; L139-L144 HydrophobicContact CB-CB 4.2Å; S140-L144 WeakPolarHBondContact O-CB 3.32Å; S140-L144 PolarHBondContact O-N 2.85Å; D141-L144 WeakPolarHBondContact O-CB 3.43Å; D141-L144 PolarHBondContact O-N 3.08Å; L144-G146 VanDerWaalsContact C-N 3.31Å; L144-G146 PolarHBondContact O-N 3.16Å; L144-F147 PolarHBondContact O-N 3.04Å; L144-L148 HydrophobicContact CD1-CD1 3.94Å; L144-L148 HydrophobicContact CD1-CG 4.02Å; L144-L148 HydrophobicContact CG-CD1 4.26Å; L144-L148 WeakPolarHBondContact O-CG 3.45Å; L144-L148 PolarHBondContact O-N 3.1Å; L144-A203 HydrophobicContact CD2-CB 4.24Å
145L98.5Very high98Very high45 Ų4526.5 Ų26.524%0.23614%0.142CC..Hα-helixtrans-59.9-42.8177-65.1177000111.9D141 K149 A203 D206 T207D141-L145 WeakPolarHBondContact O-CG 3.28Å; D141-L145 PolarHBondContact O-N 2.99Å; L145-K149 WeakPolarHBondContact O-CG 3.27Å; L145-K149 PolarHBondContact O-N 2.82Å; L145-K149 VanDerWaalsContact O-N 3.16Å; L145-A203 HydrophobicContact CD2-CB 3.81Å; L145-D206 HydrophobicContact CD2-CB 3.94Å; L145-T207 HydrophobicContact CB-CG2 4.17Å; L145-T207 HydrophobicContact CD2-CG2 3.77Å; L145-T207 WeakPolarHBondContact O-CG2 3.38Å
146G98.3Very high97.9Very high23 Ų2326.1 Ų26.124%0.23714%0.14CC..Hα-helixtrans-61.8-44.8176.500000112.4L142 A143 L144 R150L142-G146 PolarHBondContact O-N 3.46Å; A143-G146 PolarHBondContact O-N 3.37Å; L144-G146 VanDerWaalsContact C-N 3.31Å; L144-G146 PolarHBondContact O-N 3.16Å; G146-R150 WeakPolarHBondContact O-CG 3.24Å; G146-R150 PolarHBondContact O-N 3.47Å; G146-R150 VanDerWaalsContact O-N 3.16Å
147F98.8Very high97.7Very high0 Ų031.5 Ų31.50%018%0.175CC..Hα-helixtrans-67.9-44.3-178.9179.2-119.9000112.1C65 L117 F120 I132 L136 L139 A143 L144 K149 R150 C151C65-F147 HydrophobicContact CB-CZ 4.41Å; L117-F147 HydrophobicContact CB-CD1 4.37Å; L117-F147 HydrophobicContact CB-CD2 4.23Å; L117-F147 HydrophobicContact CB-CE1 4.26Å; L117-F147 HydrophobicContact CB-CE2 4.14Å; L117-F147 HydrophobicContact CB-CG 4.35Å; L117-F147 HydrophobicContact CB-CZ 4.15Å; L117-F147 HydrophobicContact CD1-CD1 4.47Å; L117-F147 HydrophobicContact CD1-CE1 3.8Å; L117-F147 HydrophobicContact CD1-CZ 3.95Å; L117-F147 HydrophobicContact CD2-CE1 4.47Å; L117-F147 HydrophobicContact CD2-CE2 4.04Å; L117-F147 HydrophobicContact CD2-CZ 3.79Å; L117-F147 HydrophobicContact CG-CE1 4.41Å; L117-F147 HydrophobicContact CG-CZ 4.18Å; L117-F147 VanDerWaalsContact O-CD2 3.3Å; L117-F147 WeakPolarHBondContact O-CD2 3.47Å; F120-F147 HydrophobicContact CD1-CE2 4.07Å; I132-F147 HydrophobicContact CD1-CE1 3.88Å; I132-F147 HydrophobicContact CG1-CE1 4.49Å; L136-F147 HydrophobicContact CD2-CD1 3.9Å; L136-F147 HydrophobicContact CD2-CE1 4.06Å; L139-F147 HydrophobicContact CD1-CB 3.84Å; L139-F147 HydrophobicContact CD1-CD1 3.83Å; L139-F147 HydrophobicContact CD1-CG 4.06Å; A143-F147 WeakPolarHBondContact O-CB 3.25Å; A143-F147 PolarHBondContact O-N 2.85Å; L144-F147 PolarHBondContact O-N 3.04Å; F147-K149 VanDerWaalsContact C-N 3.34Å; F147-K149 PolarHBondContact O-N 3.25Å; F147-R150 PolarHBondContact O-N 2.75Å; F147-R150 VanDerWaalsContact O-N 3.08Å; F147-C151 VanDerWaalsContact CE2-SG 3.54Å; F147-C151 WeakPolarHBondContact CZ-SG 3.37Å; F147-C151 PolarHBondContact O-N 3.12Å; F147-C151 PolarHBondContact O-SG 3.26Å
148L98.9Very high97.6Very high0 Ų034 Ų340%020%0.201CC..Hα-helixtrans-61.3-40.2176.6-70.2179.9000112.3L144 R150 C151 A152 I163 A203 F204 T207 L209L144-L148 HydrophobicContact CD1-CD1 3.94Å; L144-L148 HydrophobicContact CD1-CG 4.02Å; L144-L148 HydrophobicContact CG-CD1 4.26Å; L144-L148 WeakPolarHBondContact O-CG 3.45Å; L144-L148 PolarHBondContact O-N 3.1Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 2.79Å; L148-C151 PolarHBondContact O-N 3.25Å; L148-A152 PolarHBondContact O-N 3.14Å; L148-I163 HydrophobicContact CD2-CD1 3.71Å; L148-A203 HydrophobicContact CD1-CB 4.04Å; L148-F204 HydrophobicContact CD1-CD1 4.06Å; L148-F204 HydrophobicContact CD1-CE1 4.33Å; L148-T207 HydrophobicContact CB-CG2 3.98Å; L148-L209 HydrophobicContact CB-CD1 4.02Å; L148-L209 HydrophobicContact CD2-CD1 4.37Å
149K98.3Very high97.6Very high99 Ų9933.1 Ų33.143%0.4320%0.198SC..Hα-helixtrans-59.4-43.2172.1-75.8175-179.8177.80111.8L145 F147 A152 H153 D206 T207L145-K149 WeakPolarHBondContact O-CG 3.27Å; L145-K149 PolarHBondContact O-N 2.82Å; L145-K149 VanDerWaalsContact O-N 3.16Å; F147-K149 VanDerWaalsContact C-N 3.34Å; F147-K149 PolarHBondContact O-N 3.25Å; K149-A152 WeakPolarHBondContact O-CB 3.24Å; K149-A152 PolarHBondContact O-N 2.87Å; K149-H153 PolarHBondContact O-CD2 3.41Å; K149-H153 PolarHBondContact O-N 3.49Å; K149-D206 WeakPolarHBondContact CE-O 3.5Å; K149-T207 HydrophobicContact CD-CG2 4.42Å; K149-T207 HydrophobicContact CG-CG2 3.81Å
150R98.6Very high97.6Very high45 Ų4533.3 Ų33.317%0.1720%0.2CC..Hα-helixtrans-67.5-37.1177.7-65.6-170.9-48.9-1039.2112L117 Q118 F120 T121 G146 F147 L148 H153 G154L117-R150 PolarHBondContact O-NH2 3.31Å; Q118-R150 PolarHBondContact O-NH2 3.03Å; F120-R150 PolarHBondContact O-NE 2.77Å; F120-R150 PolarHBondContact O-NH2 2.95Å; T121-R150 HydrophobicContact CG2-CB 4.36Å; T121-R150 HydrophobicContact CG2-CG 4.38Å; T121-R150 VanDerWaalsContact OG1-CD 3.24Å; T121-R150 WeakPolarHBondContact OG1-CD 3.42Å; G146-R150 WeakPolarHBondContact O-CG 3.24Å; G146-R150 PolarHBondContact O-N 3.47Å; G146-R150 VanDerWaalsContact O-N 3.16Å; F147-R150 PolarHBondContact O-N 2.75Å; F147-R150 VanDerWaalsContact O-N 3.08Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 2.79Å; R150-H153 PolarHBondContact O-N 3.26Å; R150-G154 PolarHBondContact O-N 3.17Å
151C98.8Very high97.8Very high0 Ų032.3 Ų32.30%019%0.193CC..Hα-helixtrans-61.8-43.9172.7-65.80000111.7I130 F147 L148 H153 G154 L155 I161I130-C151 HydrophobicContact CD1-CB 3.9Å; I130-C151 VanDerWaalsContact CD1-O 3.27Å; I130-C151 WeakPolarHBondContact CD1-O 3.34Å; I130-C151 HydrophobicContact CG2-CB 4.49Å; F147-C151 VanDerWaalsContact CE2-SG 3.54Å; F147-C151 WeakPolarHBondContact CZ-SG 3.37Å; F147-C151 PolarHBondContact O-N 3.12Å; F147-C151 PolarHBondContact O-SG 3.26Å; L148-C151 PolarHBondContact O-N 3.25Å; C151-H153 VanDerWaalsContact C-N 3.28Å; C151-H153 PolarHBondContact O-N 2.99Å; C151-G154 WeakPolarHBondContact O-CA 3.34Å; C151-G154 PolarHBondContact O-N 3.05Å; C151-L155 PolarHBondContact O-N 3.26Å; C151-I161 HydrophobicContact CB-CD1 3.63Å; C151-I161 HydrophobicContact CB-CG1 4.2Å
152A98.3Very high97.9Very high1 Ų128.3 Ų28.31%0.00817%0.171CC..Hα-helixtrans-54.3-44.1177.200000112.2L148 K149 G154 L155 L209 Y234L148-A152 PolarHBondContact O-N 3.14Å; K149-A152 WeakPolarHBondContact O-CB 3.24Å; K149-A152 PolarHBondContact O-N 2.87Å; A152-G154 VanDerWaalsContact C-N 3.32Å; A152-L155 PolarHBondContact O-N 2.97Å; A152-L209 HydrophobicContact CB-CD2 3.84Å; A152-Y234 HydrophobicContact CB-CD1 4Å; A152-Y234 HydrophobicContact CB-CD2 3.76Å; A152-Y234 HydrophobicContact CB-CE1 4.22Å; A152-Y234 HydrophobicContact CB-CE2 4Å; A152-Y234 HydrophobicContact CB-CG 3.76Å; A152-Y234 WeakPolarHBondContact O-CD1 3.25Å
153H97.1Very high98.1Very high21 Ų2121.5 Ų21.510%0.09714%0.136CC..Hα-helixtrans-75.4-18.1175.2-65.4-68.2000114.1T124 G125 K149 R150 C151 L155 Y234 S240T124-H153 VanDerWaalsContact CA-O 3.32Å; T124-H153 WeakPolarHBondContact CA-O 3.35Å; T124-H153 WeakPolarHBondContact CG2-O 3.49Å; G125-H153 PolarHBondContact N-O 2.86Å; K149-H153 PolarHBondContact O-CD2 3.41Å; K149-H153 PolarHBondContact O-N 3.49Å; R150-H153 PolarHBondContact O-N 3.26Å; C151-H153 VanDerWaalsContact C-N 3.28Å; C151-H153 PolarHBondContact O-N 2.99Å; H153-L155 VanDerWaalsContact C-N 3.3Å; H153-Y234 PolarHBondContact CE1-OH 3.16Å; H153-S240 PolarHBondContact CE1-O 2.62Å; H153-S240 PolarHBondContact ND1-O 3.06Å
154G98.4Very high98.2Very high0 Ų020.9 Ų20.90%013%0.131CC..Hα-helixtrans-74.5-19.1173.600000113.8G125 R126 Y127 R150 C151 A152G125-G154 CarbonylContact C-O 3.59Å; G125-G154 PolarHBondContact N-O 3.49Å; R126-G154 PolarHBondContact N-O 3.08Å; Y127-G154 PolarHBondContact N-O 3.28Å; R150-G154 PolarHBondContact O-N 3.17Å; C151-G154 WeakPolarHBondContact O-CA 3.34Å; C151-G154 PolarHBondContact O-N 3.05Å; A152-G154 VanDerWaalsContact C-N 3.32Å
155L98.4Very high98.2Very high4 Ų421 Ų212%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-70.9136.7-178.1-67.8178.1000112.5G125 Y127 I130 C151 A152 H153 I161G125-L155 VanDerWaalsContact CA-O 3.31Å; G125-L155 WeakPolarHBondContact CA-O 3.5Å; Y127-L155 CarbonylContact O-C 3.59Å; Y127-L155 WeakPolarHBondContact O-CA 3.16Å; I130-L155 HydrophobicContact CB-CD2 4.49Å; I130-L155 HydrophobicContact CD1-CD2 3.86Å; I130-L155 HydrophobicContact CD1-CG 4.32Å; I130-L155 HydrophobicContact CG1-CD2 3.92Å; C151-L155 PolarHBondContact O-N 3.26Å; A152-L155 PolarHBondContact O-N 2.97Å; H153-L155 VanDerWaalsContact C-N 3.3Å; L155-I161 HydrophobicContact CD1-CD1 4.17Å; L155-I161 HydrophobicContact CD1-CG1 3.99Å; L155-I161 HydrophobicContact CD2-CG1 3.99Å; L155-I161 HydrophobicContact CG-CG1 4.16Å
156S97.2Very high98.2Very high13 Ų1321 Ų219%0.09113%0.131CC..EExtended strand (participates in β ladder)trans-66.6163.6162.270.20000110.4Y127 D128 G158 G159Y127-S156 PolarHBondContact O-N 2.91Å; Y127-S156 PolarHBondContact O-OG 3.46Å; D128-S156 WeakPolarHBondContact CA-OG 3.33Å; D128-S156 PolarHBondContact OD1-OG 2.71Å; S156-G158 PolarHBondContact O-N 2.94Å; S156-G158 VanDerWaalsContact O-N 3.16Å; S156-G159 PolarHBondContact O-N 3.4Å
157P94.9Very high98.2Very high113 Ų11320 Ų2073%0.73412%0.12SC*.EExtended strand (participates in β ladder)trans-57120.8174.8-25.135.4000111.9G159P157-G159 VanDerWaalsContact C-N 3.3Å
158G95.4Very high98.2Very high58 Ų5820 Ų2060%0.59812%0.12SC*.EExtended strand (participates in β ladder)trans80.58.6-175.300000114.5S156S156-G158 PolarHBondContact O-N 2.94Å; S156-G158 VanDerWaalsContact O-N 3.16Å
159G98.4Very high98.1Very high5 Ų520.6 Ų20.65%0.05212%0.124CC..EExtended strand (participates in β ladder)trans-67160173.800000112.7D128 S156 P157D128-G159 CarbonylContact O-C 3.57Å; D128-G159 WeakPolarHBondContact O-CA 3.34Å; S156-G159 PolarHBondContact O-N 3.4Å; P157-G159 VanDerWaalsContact C-N 3.3Å
160V98.8Very high98Very high7 Ų720.4 Ų20.44%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-126.9137.9-175.9179.70000109.9P56 D128 L129 I130 V162 I212 A231 L232P56-V160 HydrophobicContact CB-CG2 4.21Å; D128-V160 PolarHBondContact O-N 3.13Å; L129-V160 WeakPolarHBondContact CA-O 3.37Å; L129-V160 HydrophobicContact CD1-CB 4.49Å; I130-V160 PolarHBondContact N-O 3.14Å; V160-V162 HydrophobicContact CG1-CG2 3.94Å; V160-I212 HydrophobicContact CG1-CD1 4.43Å; V160-I212 HydrophobicContact CG2-CD1 4.35Å; V160-A231 HydrophobicContact CG1-CB 4.14Å; V160-L232 WeakPolarHBondContact CA-O 3.46Å
161I98.9Very high97.8Very high0 Ų020.5 Ų20.50%015%0.148CC..EExtended strand (participates in β ladder)trans-96.2128.8162.8-61.4159.8000107.4I130 I132 C151 L155 I163 L209 A231 L232I130-I161 HydrophobicContact CB-CG1 4.13Å; I130-I161 HydrophobicContact CD1-CG1 4.43Å; I130-I161 CarbonylContact O-C 3.43Å; I130-I161 WeakPolarHBondContact O-CA 3.3Å; I132-I161 HydrophobicContact CD1-CG2 3.71Å; I132-I161 HydrophobicContact CG1-CG2 4.47Å; C151-I161 HydrophobicContact CB-CD1 3.63Å; C151-I161 HydrophobicContact CB-CG1 4.2Å; L155-I161 HydrophobicContact CD1-CD1 4.17Å; L155-I161 HydrophobicContact CD1-CG1 3.99Å; L155-I161 HydrophobicContact CD2-CG1 3.99Å; L155-I161 HydrophobicContact CG-CG1 4.16Å; I161-I163 HydrophobicContact CG2-CD1 4.36Å; I161-I163 HydrophobicContact CG2-CG1 4.02Å; I161-L209 HydrophobicContact CD1-CD1 3.9Å; I161-L209 HydrophobicContact CD1-CD2 3.75Å; I161-A231 WeakPolarHBondContact O-CA 3.47Å; I161-L232 HydrophobicContact CB-CB 4.22Å; I161-L232 HydrophobicContact CB-CD1 4.5Å; I161-L232 HydrophobicContact CG2-CD1 4.38Å; I161-L232 PolarHBondContact N-O 3.3Å; I161-L232 PolarHBondContact O-N 3.17Å
162V99Very high97.6Very high0 Ų021.7 Ų21.70%016%0.16CC..EExtended strand (participates in β ladder)trans-111.9125.6169.2177.90000109.7F50 L51 L129 I130 W131 I132 V160 F230 A231F50-V162 HydrophobicContact CD1-CG1 3.89Å; F50-V162 HydrophobicContact CD1-CG2 4.38Å; F50-V162 HydrophobicContact CE1-CB 4.46Å; F50-V162 HydrophobicContact CE1-CG1 3.64Å; F50-V162 HydrophobicContact CE1-CG2 3.98Å; L51-V162 HydrophobicContact CD2-CG2 4.06Å; L129-V162 HydrophobicContact CD1-CB 4.21Å; L129-V162 HydrophobicContact CD1-CG2 3.68Å; I130-V162 PolarHBondContact O-N 3.14Å; W131-V162 HydrophobicContact CD2-CG1 4.46Å; W131-V162 HydrophobicContact CE3-CB 3.66Å; W131-V162 HydrophobicContact CE3-CG1 3.62Å; W131-V162 HydrophobicContact CE3-CG2 4.38Å; W131-V162 HydrophobicContact CH2-CG1 3.92Å; W131-V162 HydrophobicContact CZ3-CB 3.84Å; W131-V162 HydrophobicContact CZ3-CG1 3.31Å; W131-V162 HydrophobicContact CZ3-CG2 4.4Å; I132-V162 PolarHBondContact N-O 3.18Å; V160-V162 HydrophobicContact CG1-CG2 3.94Å; V162-F230 CarbonylContact C-O 3.58Å; V162-F230 VanDerWaalsContact CA-O 3.29Å; V162-F230 WeakPolarHBondContact CA-O 3.2Å; V162-A231 HydrophobicContact CG2-CB 4.48Å
163I99Very high97.5Very high0 Ų025 Ų250%018%0.176CC..EExtended strand (participates in β ladder)trans-112.7125.9175.7-65.9168.6000108.4I132 L136 L148 I161 E165 F204 M229 F230 L232I132-I163 HydrophobicContact CB-CG1 4.27Å; I132-I163 HydrophobicContact CD1-CG1 4.04Å; I132-I163 CarbonylContact O-C 3.58Å; I132-I163 WeakPolarHBondContact O-CA 3.42Å; L136-I163 HydrophobicContact CD1-CB 4.46Å; L136-I163 HydrophobicContact CD1-CD1 3.92Å; L136-I163 HydrophobicContact CD1-CG1 4.05Å; L136-I163 HydrophobicContact CD1-CG2 3.57Å; L148-I163 HydrophobicContact CD2-CD1 3.71Å; I161-I163 HydrophobicContact CG2-CD1 4.36Å; I161-I163 HydrophobicContact CG2-CG1 4.02Å; I163-E165 HydrophobicContact CG2-CB 4.37Å; I163-E165 HydrophobicContact CG2-CG 3.82Å; I163-F204 HydrophobicContact CD1-CD1 4.33Å; I163-F204 HydrophobicContact CD1-CE1 3.39Å; I163-F204 HydrophobicContact CD1-CZ 3.84Å; I163-M229 CarbonylContact O-C 3.47Å; I163-M229 VanDerWaalsContact O-CA 3.25Å; I163-M229 WeakPolarHBondContact O-CA 3.39Å; I163-F230 HydrophobicContact CB-CB 4.5Å; I163-F230 HydrophobicContact CB-CD2 4.39Å; I163-F230 HydrophobicContact CG2-CD2 4.29Å; I163-F230 PolarHBondContact N-O 2.99Å; I163-F230 PolarHBondContact O-N 3.42Å; I163-L232 HydrophobicContact CD1-CD1 3.69Å; I163-L232 HydrophobicContact CG1-CD1 4.49Å
164K98.9Very high97.4Very high0 Ų028.3 Ų28.30%019%0.194CC..EExtended strand (participates in β ladder)trans-122.8107.4175.7-173.7169.5-168.4-179.60110.2D43 S47 W131 I132 Q133 W134 V227 R228 M229D43-K164 PolarHBondContact O-NZ 3.42Å; D43-K164 WeakPolarHBondContact OD1-CE 3.46Å; D43-K164 IonicContact OD1-NZ 2.69Å; D43-K164 PolarHBondContact OD1-NZ 3.08Å; S47-K164 PolarHBondContact OG-NZ 3.38Å; W131-K164 HydrophobicContact CH2-CD 4.36Å; W131-K164 HydrophobicContact CZ2-CB 4.24Å; W131-K164 HydrophobicContact CZ2-CD 3.94Å; I132-K164 PolarHBondContact O-N 3.48Å; Q133-K164 VanDerWaalsContact CA-O 3.31Å; Q133-K164 WeakPolarHBondContact CA-O 3.41Å; Q133-K164 HydrophobicContact CB-CB 4.11Å; Q133-K164 HydrophobicContact CG-CB 4.03Å; Q133-K164 HydrophobicContact CG-CD 4.27Å; Q133-K164 HydrophobicContact CG-CG 4.21Å; W134-K164 PolarHBondContact N-O 3.46Å; K164-V227 HydrophobicContact CG-CG1 3.83Å; K164-R228 WeakPolarHBondContact CA-O 3.36Å; K164-M229 HydrophobicContact CB-CG 3.9Å; K164-M229 HydrophobicContact CD-CG 3.59Å; K164-M229 HydrophobicContact CD-SD 3.83Å; K164-M229 HydrophobicContact CG-CG 3.53Å; K164-M229 HydrophobicContact CG-SD 4.43Å
165E98.8Very high97.3Very high7 Ų732.3 Ų32.33%0.03321%0.213CC..EExtended strand (participates in β ladder)trans-137.3155.2-169.9-82.1-64.8176.300113.7W134 V135 L136 I163 Y200 V227 R228W134-E165 WeakPolarHBondContact CA-OE1 3.39Å; W134-E165 WeakPolarHBondContact CA-OE2 3.35Å; W134-E165 PolarHBondContact N-OE1 2.83Å; V135-E165 PolarHBondContact N-OE1 3.22Å; L136-E165 HydrophobicContact CB-CG 4.3Å; L136-E165 WeakPolarHBondContact CB-OE1 3.38Å; L136-E165 HydrophobicContact CD1-CG 4.38Å; L136-E165 PolarHBondContact N-OE1 3.21Å; I163-E165 HydrophobicContact CG2-CB 4.37Å; I163-E165 HydrophobicContact CG2-CG 3.82Å; E165-Y200 HydrophobicContact CB-CE1 4.42Å; E165-Y200 HydrophobicContact CB-CE2 4.27Å; E165-Y200 HydrophobicContact CG-CE1 4.16Å; E165-V227 WeakPolarHBondContact O-CA 3.28Å; E165-R228 PolarHBondContact N-O 2.83Å; E165-R228 PolarHBondContact O-N 2.84Å
166N98.6Very high97.3Very high46 Ų4639.6 Ų39.625%0.24624%0.244CC..EExtended strand (participates in β ladder)trans-67.5136.7165.8-70.6-33.2000109.4W134 T194 Y225 V227W134-N166 PolarHBondContact NE1-OD1 2.95Å; N166-T194 HydrophobicContact CB-CG2 3.79Å; N166-Y225 HydrophobicContact CB-CD2 4.5Å; N166-Y225 HydrophobicContact CB-CG 4.41Å; N166-V227 WeakPolarHBondContact OD1-CG2 3.14Å
167I98.6Very high97.3Very high0 Ų040 Ų400%025%0.247CC..BIsolated β-bridgetrans-117135.2177.3-57-58.2000109.6I178 R195 R197 Y200 Y225 P226 R228 F230I167-I178 HydrophobicContact CG2-CG2 4.25Å; I167-R195 WeakPolarHBondContact CA-O 3.4Å; I167-R197 HydrophobicContact CG2-CB 4.03Å; I167-Y200 HydrophobicContact CD1-CD2 3.52Å; I167-Y200 HydrophobicContact CD1-CE2 3.47Å; I167-Y200 VanDerWaalsContact CD1-CE2 3.47Å; I167-Y225 WeakPolarHBondContact O-CD1 3.41Å; I167-P226 HydrophobicContact CB-CG 4.45Å; I167-P226 PolarHBondContact N-O 2.68Å; I167-P226 VanDerWaalsContact O-CD 3.23Å; I167-P226 WeakPolarHBondContact O-CD 3.26Å; I167-P226 WeakPolarHBondContact O-CG 3.45Å; I167-R228 HydrophobicContact CD1-CB 4.49Å; I167-R228 HydrophobicContact CG1-CB 3.84Å; I167-R228 HydrophobicContact CG1-CG 3.71Å; I167-F230 HydrophobicContact CD1-CE2 4.2Å; I167-F230 HydrophobicContact CD1-CZ 4.2Å
168T98.5Very high97.4Very high0 Ų034.9 Ų34.90%021%0.213CC..  trans-69.9139.4172.156.30000111.1S181 E183 N185 T194 R195 P196 Y225T168-S181 WeakPolarHBondContact O-CB 3.18Å; T168-S181 PolarHBondContact O-OG 3Å; T168-S181 PolarHBondContact OG1-OG 3.05Å; T168-S181 VanDerWaalsContact OG1-OG 3.13Å; T168-E183 VanDerWaalsContact CB-O 3.26Å; T168-E183 WeakPolarHBondContact CB-O 3.37Å; T168-E183 VanDerWaalsContact CG2-O 3.25Å; T168-E183 WeakPolarHBondContact CG2-O 3.39Å; T168-E183 PolarHBondContact OG1-O 3.28Å; T168-N185 HydrophobicContact CG2-CB 4.26Å; T168-T194 HydrophobicContact CG2-CG2 3.67Å; T168-T194 VanDerWaalsContact CG2-O 3.32Å; T168-T194 WeakPolarHBondContact CG2-O 3.49Å; T168-R195 PolarHBondContact N-O 3.24Å; T168-P196 WeakPolarHBondContact OG1-CA 3.37Å; T168-Y225 HydrophobicContact CG2-CE1 4.34Å
169S97.6Very high97.5Very high13 Ų1335.8 Ų35.89%0.09120%0.203CC..  trans-157.8111174.8176.80000109.8G171 G172 S177 I178S169-G171 PolarHBondContact O-N 3.4Å; S169-G172 WeakPolarHBondContact CB-O 3.41Å; S169-G172 PolarHBondContact O-N 3.33Å; S169-G172 PolarHBondContact OG-O 2.95Å; S169-S177 VanDerWaalsContact OG-CB 3.28Å; S169-S177 WeakPolarHBondContact OG-CB 3.43Å; S169-S177 PolarHBondContact OG-OG 2.93Å; S169-I178 PolarHBondContact OG-N 3.39Å
170P95Very high97.5Very high96 Ų9640.8 Ų40.862%0.62323%0.228SC*.THydrogen-bonded Turntrans-57.7-32.2179.8-25.532.7000113.8G172P170-G172 VanDerWaalsContact C-N 3.32Å
171G95.2Very high97.4Very high46 Ų4640.7 Ų40.747%0.47423%0.228SC..THydrogen-bonded Turntrans-89.218.1176.100000114.6S169 H173 D174 S177S169-G171 PolarHBondContact O-N 3.4Å; G171-H173 PolarHBondContact O-N 3.35Å; G171-D174 PolarHBondContact O-N 3.49Å; G171-S177 WeakPolarHBondContact CA-OG 3.38Å; G171-S177 PolarHBondContact N-OG 3.24Å
172G94.1Very high97.3Very high25 Ų2547.2 Ų47.226%0.25826%0.259SS..THydrogen-bonded Turntrans63.9-129.5-179.100000112S169 P170 D174S169-G172 WeakPolarHBondContact CB-O 3.41Å; S169-G172 PolarHBondContact O-N 3.33Å; S169-G172 PolarHBondContact OG-O 2.95Å; P170-G172 VanDerWaalsContact C-N 3.32Å; G172-D174 VanDerWaalsContact C-N 3.25Å; G172-D174 PolarHBondContact O-N 2.94Å
173H95.8Very high97.2Very high71 Ų7151.1 Ų51.133%0.32928%0.277SS..THydrogen-bonded Turntrans-84.29.3-175.8-66.9-162.1000113.9G171 E175 F224G171-H173 PolarHBondContact O-N 3.35Å; H173-E175 PolarHBondContact O-N 3.06Å; H173-F224 PolarHBondContact NE2-O 3.37Å
174D96Very high97Very high91 Ų9155.2 Ų55.249%0.48730%0.298SS..  trans-64.5119171.7175.3-104.9000110.8G171 G172 K176 S177 I178G171-D174 PolarHBondContact O-N 3.49Å; G172-D174 VanDerWaalsContact C-N 3.25Å; G172-D174 PolarHBondContact O-N 2.94Å; D174-K176 PolarHBondContact O-N 3.03Å; D174-K176 WeakPolarHBondContact OD1-CB 3.42Å; D174-K176 PolarHBondContact OD1-N 3.43Å; D174-S177 WeakPolarHBondContact O-CB 3.11Å; D174-S177 PolarHBondContact O-N 3.04Å; D174-S177 PolarHBondContact OD1-N 3.13Å; D174-I178 WeakPolarHBondContact O-CG1 3.35Å; D174-I178 PolarHBondContact O-N 3.24Å
175E96.9Very high96.9Very high84 Ų8457.2 Ų57.239%0.39331%0.309SS..Hα-helixtrans-60.6-34.9-175.2-172.468.2-168.500111.6H173 S177 I178 M179 R228H173-E175 PolarHBondContact O-N 3.06Å; E175-S177 VanDerWaalsContact C-N 3.35Å; E175-S177 PolarHBondContact O-N 3.45Å; E175-I178 PolarHBondContact O-N 3.14Å; E175-M179 HydrophobicContact CG-CG 4.13Å; E175-M179 WeakPolarHBondContact O-CB 3.1Å; E175-M179 WeakPolarHBondContact O-CG 3.07Å; E175-M179 PolarHBondContact O-N 2.9Å; E175-R228 IonicContact OE1-CZ 3.89Å; E175-R228 IonicContact OE1-NH1 3.05Å; E175-R228 PolarHBondContact OE1-NH1 2.72Å; E175-R228 IonicContact OE1-NH2 3.91Å; E175-R228 PolarHBondContact OE1-NH2 2.83Å; E175-R228 IonicContact OE2-NH1 3.34Å; E175-R228 PolarHBondContact OE2-NH1 3.25Å; E175-R228 VanDerWaalsContact OE2-NH1 3.13Å
176K97.7Very high96.8Very high157 Ų15759.5 Ų59.568%0.68332%0.319SS*.Hα-helixtrans-66-41177.2-173.7-178.7178.3-176.20110.6D174 N180D174-K176 PolarHBondContact O-N 3.03Å; D174-K176 WeakPolarHBondContact OD1-CB 3.42Å; D174-K176 PolarHBondContact OD1-N 3.43Å; K176-N180 WeakPolarHBondContact O-CB 3.49Å; K176-N180 PolarHBondContact O-N 2.66Å; K176-N180 PolarHBondContact O-ND2 3.37Å
177S97.6Very high96.7Very high21 Ų2160.6 Ų60.615%0.14732%0.324CS..Hα-helixtrans-63-46.5173.2177.20000112.1S169 G171 D174 E175 M179 N180 S181S169-S177 VanDerWaalsContact OG-CB 3.28Å; S169-S177 WeakPolarHBondContact OG-CB 3.43Å; S169-S177 PolarHBondContact OG-OG 2.93Å; G171-S177 WeakPolarHBondContact CA-OG 3.38Å; G171-S177 PolarHBondContact N-OG 3.24Å; D174-S177 WeakPolarHBondContact O-CB 3.11Å; D174-S177 PolarHBondContact O-N 3.04Å; D174-S177 PolarHBondContact OD1-N 3.13Å; E175-S177 VanDerWaalsContact C-N 3.35Å; E175-S177 PolarHBondContact O-N 3.45Å; S177-M179 VanDerWaalsContact C-N 3.3Å; S177-M179 PolarHBondContact O-N 3.36Å; S177-N180 PolarHBondContact O-N 2.79Å; S177-S181 WeakPolarHBondContact O-CB 3.39Å; S177-S181 PolarHBondContact O-N 2.81Å
178I97.9Very high96.5Very high5 Ų565.9 Ų65.93%0.02635%0.349CS..Hα-helixtrans-56.7-45.8178.1-68.1167.7000110.9I167 S169 D174 E175 N180 P226I167-I178 HydrophobicContact CG2-CG2 4.25Å; S169-I178 PolarHBondContact OG-N 3.39Å; D174-I178 WeakPolarHBondContact O-CG1 3.35Å; D174-I178 PolarHBondContact O-N 3.24Å; E175-I178 PolarHBondContact O-N 3.14Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 2.78Å; I178-P226 HydrophobicContact CD1-CB 3.57Å; I178-P226 HydrophobicContact CD1-CG 3.82Å; I178-P226 HydrophobicContact CG1-CB 4.09Å; I178-P226 HydrophobicContact CG1-CG 3.75Å
179M97.4Very high96.4Very high77 Ų7771.6 Ų71.638%0.37938%0.378SS..Hα-helixtrans-73.7-20.3-175.1-65.9-63.3-7400113.7E175 S177 R197E175-M179 HydrophobicContact CG-CG 4.13Å; E175-M179 WeakPolarHBondContact O-CB 3.1Å; E175-M179 WeakPolarHBondContact O-CG 3.07Å; E175-M179 PolarHBondContact O-N 2.9Å; S177-M179 VanDerWaalsContact C-N 3.3Å; S177-M179 PolarHBondContact O-N 3.36Å; M179-R197 WeakPolarHBondContact SD-CD 3.48Å; M179-R197 PolarHBondContact SD-NE 3.21Å
180N97.3Very high96.3Very high110 Ų11072.1 Ų72.159%0.58838%0.38SS*.Hα-helixtrans-112.24.5-179.3-64.6-71.8000113.3K176 S177 I178K176-N180 WeakPolarHBondContact O-CB 3.49Å; K176-N180 PolarHBondContact O-N 2.66Å; K176-N180 PolarHBondContact O-ND2 3.37Å; S177-N180 PolarHBondContact O-N 2.79Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 2.78Å
181S97.4Very high96.4Very high5 Ų567.6 Ų67.64%0.03535%0.351CS..  trans-67.8136176.3-177.10000110.2T168 S177 E183 P196 S198T168-S181 WeakPolarHBondContact O-CB 3.18Å; T168-S181 PolarHBondContact O-OG 3Å; T168-S181 PolarHBondContact OG1-OG 3.05Å; T168-S181 VanDerWaalsContact OG1-OG 3.13Å; S177-S181 WeakPolarHBondContact O-CB 3.39Å; S177-S181 PolarHBondContact O-N 2.81Å; S181-E183 PolarHBondContact OG-N 2.88Å; S181-P196 WeakPolarHBondContact O-CB 3.41Å; S181-S198 PolarHBondContact O-OG 3.22Å
182E97.1Very high96.6Very high137 Ų13766 Ų6664%0.6433%0.332SS*.  trans-124.911.2169.6-60.9-60.9161.600111S198E182-S198 VanDerWaalsContact CD-OG 3.31Å; E182-S198 PolarHBondContact OE1-OG 3.24Å; E182-S198 PolarHBondContact OE2-OG 3.29Å
183E96.1Very high96.8Very high82 Ų8265.9 Ų65.938%0.38332%0.324SS..  trans-78.1131.5-175.7-175.9176.7143.600110.7T168 S181 N185 P196T168-E183 VanDerWaalsContact CB-O 3.26Å; T168-E183 WeakPolarHBondContact CB-O 3.37Å; T168-E183 VanDerWaalsContact CG2-O 3.25Å; T168-E183 WeakPolarHBondContact CG2-O 3.39Å; T168-E183 PolarHBondContact OG1-O 3.28Å; S181-E183 PolarHBondContact OG-N 2.88Å; E183-N185 WeakPolarHBondContact CG-OD1 3.36Å; E183-N185 VanDerWaalsContact OE1-CG 3.3Å; E183-N185 PolarHBondContact OE1-ND2 3.32Å; E183-N185 PolarHBondContact OE1-OD1 2.96Å; E183-P196 WeakPolarHBondContact O-CD 3.46Å
184I95.7Very high96.9Very high86 Ų8663.3 Ų63.344%0.44131%0.314SS..  trans-112.8124170-63.3169.7000107.4Y193 P196I184-Y193 HydrophobicContact CG2-CD1 3.79Å; I184-Y193 HydrophobicContact CG2-CE1 4.48Å; I184-P196 HydrophobicContact CG1-CG 4.35Å
185N96Very high97Very high43 Ų4359 Ų5923%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-107131.8177.6-72.3-19.6000110.1T168 E183 Y193 T194 Y225T168-N185 HydrophobicContact CG2-CB 4.26Å; E183-N185 WeakPolarHBondContact CG-OD1 3.36Å; E183-N185 VanDerWaalsContact OE1-CG 3.3Å; E183-N185 PolarHBondContact OE1-ND2 3.32Å; E183-N185 PolarHBondContact OE1-OD1 2.96Å; N185-Y193 CarbonylContact O-C 3.53Å; N185-Y193 VanDerWaalsContact O-CA 3.31Å; N185-Y193 WeakPolarHBondContact O-CA 3.39Å; N185-T194 PolarHBondContact N-O 3.3Å; N185-T194 PolarHBondContact O-N 3.01Å; N185-Y225 PolarHBondContact ND2-OH 3.2Å; N185-Y225 VanDerWaalsContact ND2-OH 3.11Å
186F96.1Very high97.1Very high54 Ų5455.1 Ų55.124%0.23727%0.273CS..EExtended strand (participates in β ladder)trans-107.4122.4174.2-177.4-117.2000109.3P11 F14 E188 S192 Y193P11-F186 HydrophobicContact CG-CE1 3.89Å; P11-F186 HydrophobicContact CG-CZ 3.9Å; F14-F186 AromaticContact CD2-CE2 3.68Å; F14-F186 HydrophobicContact CD2-CE2 3.68Å; F14-F186 HydrophobicContact CD2-CZ 4.09Å; F14-F186 AromaticContact CE2-CE2 3.7Å; F14-F186 HydrophobicContact CE2-CE2 3.7Å; F186-E188 HydrophobicContact CD1-CG 4.13Å; F186-E188 HydrophobicContact CE1-CG 4.07Å; F186-E188 VanDerWaalsContact CE1-OE1 3.3Å; F186-E188 WeakPolarHBondContact CE1-OE1 3.23Å; F186-S192 WeakPolarHBondContact CA-O 3.26Å; F186-S192 WeakPolarHBondContact CD2-O 3.28Å; F186-Y193 HydrophobicContact CB-CD1 3.99Å; F186-Y193 HydrophobicContact CB-CE1 3.89Å; F186-Y193 AromaticContact CD2-CD1 3.68Å; F186-Y193 HydrophobicContact CD2-CD1 3.68Å; F186-Y193 HydrophobicContact CD2-CD2 4.33Å; F186-Y193 AromaticContact CD2-CE1 3.48Å; F186-Y193 HydrophobicContact CD2-CE1 3.48Å; F186-Y193 VanDerWaalsContact CD2-CE1 3.48Å; F186-Y193 HydrophobicContact CD2-CE2 4.16Å; F186-Y193 HydrophobicContact CD2-CG 4.11Å; F186-Y193 AromaticContact CD2-CZ 3.75Å; F186-Y193 HydrophobicContact CE2-CE1 4.35Å; F186-Y193 HydrophobicContact CE2-CE2 4.33Å; F186-Y193 HydrophobicContact CG-CD1 4.27Å; F186-Y193 AromaticContact CG-CE1 3.94Å; F186-Y193 HydrophobicContact CG-CE1 3.94Å
187D96.1Very high97.1Very high69 Ų6949.7 Ų49.737%0.36925%0.248SC..EExtended strand (participates in β ladder)trans-92.2115.4173.7-169-19.5000109.6I189 D190 S191 S192D187-I189 PolarHBondContact O-N 3.39Å; D187-I189 VanDerWaalsContact OD1-CB 3.28Å; D187-I189 WeakPolarHBondContact OD1-CB 3.49Å; D187-I189 PolarHBondContact OD1-N 2.98Å; D187-D190 WeakPolarHBondContact CB-OD1 3.33Å; D187-S191 WeakPolarHBondContact O-CA 3.09Å; D187-S191 PolarHBondContact O-N 3.27Å; D187-S192 PolarHBondContact N-O 3.06Å; D187-S192 PolarHBondContact O-N 3.44Å
188E95.5Very high97.1Very high111 Ų11150 Ų5052%0.51925%0.25SC..THydrogen-bonded Turntrans-75.1-9.1177.7-72.7-73.8-178.100113.2K17 F186K17-E188 WeakPolarHBondContact CE-O 3.37Å; K17-E188 PolarHBondContact NZ-O 3.16Å; K17-E188 IonicContact NZ-OE2 2.73Å; K17-E188 PolarHBondContact NZ-OE2 3.07Å; F186-E188 HydrophobicContact CD1-CG 4.13Å; F186-E188 HydrophobicContact CE1-CG 4.07Å; F186-E188 VanDerWaalsContact CE1-OE1 3.3Å; F186-E188 WeakPolarHBondContact CE1-OE1 3.23Å
189I96Very high97.2Very high120 Ų12051 Ų5162%0.61526%0.259SS*.THydrogen-bonded Turntrans-79.9-56.5-179.2-64.7171.9000109.6Y21 D187Y21-I189 HydrophobicContact CD2-CG2 4.12Å; Y21-I189 WeakPolarHBondContact CD2-O 3.42Å; Y21-I189 HydrophobicContact CE2-CG2 3.66Å; D187-I189 PolarHBondContact O-N 3.39Å; D187-I189 VanDerWaalsContact OD1-CB 3.28Å; D187-I189 WeakPolarHBondContact OD1-CB 3.49Å; D187-I189 PolarHBondContact OD1-N 2.98Å
190D96.2Very high97.2Very high24 Ų2447.4 Ų47.413%0.12824%0.241CC..THydrogen-bonded Turntrans-98.6-0.7-178.971.7-5.5000113.3A18 Y21 H138 D187 S192A18-D190 WeakPolarHBondContact CA-O 3.24Å; A18-D190 WeakPolarHBondContact CB-O 3.29Å; Y21-D190 HydrophobicContact CD1-CB 3.58Å; Y21-D190 HydrophobicContact CD2-CB 4.12Å; Y21-D190 HydrophobicContact CE1-CB 3.58Å; Y21-D190 HydrophobicContact CE2-CB 4.12Å; Y21-D190 HydrophobicContact CG-CB 3.86Å; H138-D190 PolarHBondContact CE1-O 3.16Å; H138-D190 IonicContact CE1-OD2 3.14Å; D187-D190 WeakPolarHBondContact CB-OD1 3.33Å; D190-S192 VanDerWaalsContact CG-OG 3.25Å; D190-S192 WeakPolarHBondContact OD1-CB 3.07Å; D190-S192 PolarHBondContact OD1-N 3.25Å; D190-S192 VanDerWaalsContact OD1-N 3.15Å; D190-S192 PolarHBondContact OD1-OG 3.42Å; D190-S192 PolarHBondContact OD2-OG 3.49Å; D190-S192 VanDerWaalsContact OD2-OG 3.14Å
191S97.4Very high97.3Very high1 Ų144.2 Ų44.21%0.00722%0.224CC..THydrogen-bonded Turntrans57.354.5-178.3-168.40000112F14 D187F14-S191 WeakPolarHBondContact CA-OG 3.49Å; F14-S191 WeakPolarHBondContact CD2-O 3.36Å; F14-S191 VanDerWaalsContact CD2-OG 3.26Å; F14-S191 WeakPolarHBondContact CD2-OG 3.44Å; F14-S191 WeakPolarHBondContact CE2-O 3.49Å; F14-S191 PolarHBondContact O-OG 2.96Å; D187-S191 WeakPolarHBondContact O-CA 3.09Å; D187-S191 PolarHBondContact O-N 3.27Å
192S97.8Very high97.3Very high12 Ų1246.9 Ų46.98%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-126.3157.3-178.9750000113.1G137 F186 D187 D190G137-S192 CarbonylContact O-C 3.56Å; G137-S192 WeakPolarHBondContact O-CA 3.21Å; F186-S192 WeakPolarHBondContact CA-O 3.26Å; F186-S192 WeakPolarHBondContact CD2-O 3.28Å; D187-S192 PolarHBondContact N-O 3.06Å; D187-S192 PolarHBondContact O-N 3.44Å; D190-S192 VanDerWaalsContact CG-OG 3.25Å; D190-S192 WeakPolarHBondContact OD1-CB 3.07Å; D190-S192 PolarHBondContact OD1-N 3.25Å; D190-S192 VanDerWaalsContact OD1-N 3.15Å; D190-S192 PolarHBondContact OD1-OG 3.42Å; D190-S192 PolarHBondContact OD2-OG 3.49Å; D190-S192 VanDerWaalsContact OD2-OG 3.14Å
193Y97.9Very high97.4Very high24 Ų2440.6 Ų40.69%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-104132.2170.4-66.6-77.4000111.1T10 F14 G137 I184 N185 F186T10-Y193 VanDerWaalsContact CA-OH 3.31Å; T10-Y193 WeakPolarHBondContact CA-OH 3.47Å; T10-Y193 HydrophobicContact CG2-CE2 4.33Å; T10-Y193 PolarHBondContact OG1-OH 2.9Å; F14-Y193 HydrophobicContact CD2-CE2 4.12Å; F14-Y193 AromaticContact CE2-CD2 3.67Å; F14-Y193 HydrophobicContact CE2-CD2 3.67Å; F14-Y193 AromaticContact CE2-CE2 3.41Å; F14-Y193 HydrophobicContact CE2-CE2 3.41Å; F14-Y193 VanDerWaalsContact CE2-CE2 3.41Å; F14-Y193 AromaticContact CZ-CD2 3.77Å; F14-Y193 HydrophobicContact CZ-CD2 3.77Å; F14-Y193 AromaticContact CZ-CE2 3.71Å; F14-Y193 HydrophobicContact CZ-CE2 3.71Å; G137-Y193 WeakPolarHBondContact CA-O 3.43Å; G137-Y193 PolarHBondContact O-N 3.41Å; I184-Y193 HydrophobicContact CG2-CD1 3.79Å; I184-Y193 HydrophobicContact CG2-CE1 4.48Å; N185-Y193 CarbonylContact O-C 3.53Å; N185-Y193 VanDerWaalsContact O-CA 3.31Å; N185-Y193 WeakPolarHBondContact O-CA 3.39Å; F186-Y193 HydrophobicContact CB-CD1 3.99Å; F186-Y193 HydrophobicContact CB-CE1 3.89Å; F186-Y193 AromaticContact CD2-CD1 3.68Å; F186-Y193 HydrophobicContact CD2-CD1 3.68Å; F186-Y193 HydrophobicContact CD2-CD2 4.33Å; F186-Y193 AromaticContact CD2-CE1 3.48Å; F186-Y193 HydrophobicContact CD2-CE1 3.48Å; F186-Y193 VanDerWaalsContact CD2-CE1 3.48Å; F186-Y193 HydrophobicContact CD2-CE2 4.16Å; F186-Y193 HydrophobicContact CD2-CG 4.11Å; F186-Y193 AromaticContact CD2-CZ 3.75Å; F186-Y193 HydrophobicContact CE2-CE1 4.35Å; F186-Y193 HydrophobicContact CE2-CE2 4.33Å; F186-Y193 HydrophobicContact CG-CD1 4.27Å; F186-Y193 AromaticContact CG-CE1 3.94Å; F186-Y193 HydrophobicContact CG-CE1 3.94Å
194T98.4Very high97.5Very high17 Ų1736.9 Ų36.910%0.10420%0.197CC..EExtended strand (participates in β ladder)trans-97.4126.3156.4-53.60000108.1N166 T168 N185 Y225N166-T194 HydrophobicContact CB-CG2 3.79Å; T168-T194 HydrophobicContact CG2-CG2 3.67Å; T168-T194 VanDerWaalsContact CG2-O 3.32Å; T168-T194 WeakPolarHBondContact CG2-O 3.49Å; N185-T194 PolarHBondContact N-O 3.3Å; N185-T194 PolarHBondContact O-N 3.01Å; T194-Y225 HydrophobicContact CG2-CD1 4.11Å; T194-Y225 HydrophobicContact CG2-CD2 4.21Å; T194-Y225 HydrophobicContact CG2-CE1 4.2Å; T194-Y225 HydrophobicContact CG2-CE2 4.29Å; T194-Y225 HydrophobicContact CG2-CG 4.12Å
195R98.3Very high97.6Very high1 Ų137.4 Ų37.40%0.00420%0.204CC..BIsolated β-bridgetrans-111157.7-172.6-70.7-177.6-179.485-2.2111.7L136 L139 D141 I167 T168 A199 Y200L136-R195 PolarHBondContact O-NH1 2.8Å; L139-R195 PolarHBondContact O-NH2 2.99Å; D141-R195 IonicContact OD1-CZ 3.41Å; D141-R195 IonicContact OD1-NE 2.68Å; D141-R195 PolarHBondContact OD1-NE 3.49Å; D141-R195 IonicContact OD1-NH2 2.83Å; D141-R195 PolarHBondContact OD1-NH2 3.47Å; I167-R195 WeakPolarHBondContact CA-O 3.4Å; T168-R195 PolarHBondContact N-O 3.24Å; R195-A199 HydrophobicContact CB-CB 4.16Å; R195-Y200 HydrophobicContact CB-CD2 4.29Å; R195-Y200 HydrophobicContact CB-CE2 3.64Å
196P98.5Very high97.7Very high2 Ų240.2 Ų40.21%0.01322%0.219CC..  trans-73.4161.1170.131.5-31.2000110.2T168 S181 E183 I184 S198 A199 Y200T168-P196 WeakPolarHBondContact OG1-CA 3.37Å; S181-P196 WeakPolarHBondContact O-CB 3.41Å; E183-P196 WeakPolarHBondContact O-CD 3.46Å; I184-P196 HydrophobicContact CG1-CG 4.35Å; P196-S198 WeakPolarHBondContact CG-OG 3.44Å; P196-S198 PolarHBondContact O-N 2.74Å; P196-A199 HydrophobicContact CG-CB 3.94Å; P196-A199 WeakPolarHBondContact O-CB 3.41Å; P196-A199 PolarHBondContact O-N 3.42Å; P196-Y200 WeakPolarHBondContact O-CD2 3.48Å
197R98.5Very high97.7Very high43 Ų4338.1 Ų38.116%0.16221%0.211CC..Hα-helixtrans-55.1-42.2174.8179.6-175.6171.6-83.5-3.1111.4I167 M179 A199 Y200 I201 E214 F230I167-R197 HydrophobicContact CG2-CB 4.03Å; M179-R197 WeakPolarHBondContact SD-CD 3.48Å; M179-R197 PolarHBondContact SD-NE 3.21Å; R197-A199 PolarHBondContact O-N 2.92Å; R197-Y200 PolarHBondContact O-N 3.43Å; R197-Y200 VanDerWaalsContact O-N 3.13Å; R197-I201 HydrophobicContact CG-CG1 4.18Å; R197-I201 WeakPolarHBondContact O-CG1 3.48Å; R197-I201 PolarHBondContact O-N 2.68Å; R197-E214 VanDerWaalsContact CD-OE1 3.27Å; R197-E214 WeakPolarHBondContact CD-OE1 3.11Å; R197-E214 IonicContact CZ-OE1 2.96Å; R197-E214 IonicContact CZ-OE2 2.97Å; R197-E214 VanDerWaalsContact CZ-OE2 3.3Å; R197-E214 VanDerWaalsContact NE-CD 3.29Å; R197-E214 IonicContact NE-OE1 2.65Å; R197-E214 PolarHBondContact NE-OE1 3.02Å; R197-E214 IonicContact NE-OE2 2.71Å; R197-E214 PolarHBondContact NE-OE2 3.05Å; R197-E214 IonicContact NH2-OE1 3.37Å; R197-E214 IonicContact NH2-OE2 2.91Å; R197-E214 PolarHBondContact NH2-OE2 2.83Å; R197-F230 HydrophobicContact CG-CE1 4.17Å; R197-F230 HydrophobicContact CG-CZ 4.18Å
198S98.4Very high97.7Very high26 Ų2637.2 Ų37.218%0.18222%0.218CC..Hα-helixtrans-55.1-37.2-179.157.80000112.8S181 E182 P196 I201 S202S181-S198 PolarHBondContact O-OG 3.22Å; E182-S198 VanDerWaalsContact CD-OG 3.31Å; E182-S198 PolarHBondContact OE1-OG 3.24Å; E182-S198 PolarHBondContact OE2-OG 3.29Å; P196-S198 WeakPolarHBondContact CG-OG 3.44Å; P196-S198 PolarHBondContact O-N 2.74Å; S198-I201 PolarHBondContact O-N 2.95Å; S198-S202 WeakPolarHBondContact O-CB 3.35Å; S198-S202 PolarHBondContact O-N 3.35Å; S198-S202 PolarHBondContact O-OG 2.82Å
199A98.4Very high97.9Very high28 Ų2832.4 Ų32.423%0.23120%0.195CC..Hα-helixtrans-67-42178.800000111.9R195 P196 R197 S202 A203R195-A199 HydrophobicContact CB-CB 4.16Å; P196-A199 HydrophobicContact CG-CB 3.94Å; P196-A199 WeakPolarHBondContact O-CB 3.41Å; P196-A199 PolarHBondContact O-N 3.42Å; R197-A199 PolarHBondContact O-N 2.92Å; A199-S202 PolarHBondContact O-N 2.81Å; A199-A203 WeakPolarHBondContact O-CB 3.41Å; A199-A203 PolarHBondContact O-N 3.24Å
200Y98.7Very high98Very high1 Ų132.4 Ų32.40%0.00419%0.191CC..Hα-helixtrans-65.6-45.3175.1-69.7-71.7000111.7L136 E165 I167 R195 P196 R197 S202 A203 F204L136-Y200 HydrophobicContact CB-CE1 4.36Å; L136-Y200 HydrophobicContact CD1-CE1 4.12Å; E165-Y200 HydrophobicContact CB-CE1 4.42Å; E165-Y200 HydrophobicContact CB-CE2 4.27Å; E165-Y200 HydrophobicContact CG-CE1 4.16Å; I167-Y200 HydrophobicContact CD1-CD2 3.52Å; I167-Y200 HydrophobicContact CD1-CE2 3.47Å; I167-Y200 VanDerWaalsContact CD1-CE2 3.47Å; R195-Y200 HydrophobicContact CB-CD2 4.29Å; R195-Y200 HydrophobicContact CB-CE2 3.64Å; P196-Y200 WeakPolarHBondContact O-CD2 3.48Å; R197-Y200 PolarHBondContact O-N 3.43Å; R197-Y200 VanDerWaalsContact O-N 3.13Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-S202 PolarHBondContact O-N 3.35Å; Y200-A203 WeakPolarHBondContact O-CB 3.37Å; Y200-A203 PolarHBondContact O-N 2.81Å; Y200-A203 VanDerWaalsContact O-N 3.14Å; Y200-F204 HydrophobicContact CD1-CE1 4.5Å; Y200-F204 HydrophobicContact CD1-CZ 4.5Å; Y200-F204 HydrophobicContact CG-CZ 4.48Å; Y200-F204 WeakPolarHBondContact O-CD1 3.48Å; Y200-F204 WeakPolarHBondContact O-CD2 3.28Å; Y200-F204 WeakPolarHBondContact O-CE1 3.14Å; Y200-F204 WeakPolarHBondContact O-CG 3.35Å; Y200-F204 PolarHBondContact O-N 3.46Å
201I98.7Very high98.1Very high42 Ų4234.1 Ų34.122%0.21520%0.2CC..Hα-helixtrans-59.4-41.6176.9-60.5-55.3000111.8R197 S198 F204 T205 L211 F230R197-I201 HydrophobicContact CG-CG1 4.18Å; R197-I201 WeakPolarHBondContact O-CG1 3.48Å; R197-I201 PolarHBondContact O-N 2.68Å; S198-I201 PolarHBondContact O-N 2.95Å; I201-F204 HydrophobicContact CD1-CD2 4.04Å; I201-F204 HydrophobicContact CD1-CE2 4.06Å; I201-F204 PolarHBondContact O-N 3.35Å; I201-T205 PolarHBondContact O-N 2.89Å; I201-T205 VanDerWaalsContact O-N 3.13Å; I201-T205 PolarHBondContact O-OG1 2.94Å; I201-L211 HydrophobicContact CD1-CD2 3.83Å; I201-F230 HydrophobicContact CD1-CD1 4.34Å; I201-F230 HydrophobicContact CD1-CE1 4.16Å
202S98.5Very high98.1Very high62 Ų6237.4 Ų37.443%0.43422%0.217SC..Hα-helixtrans-63.4-45.8175.4-57.40000110.9S198 A199 Y200 F204 T205 D206S198-S202 WeakPolarHBondContact O-CB 3.35Å; S198-S202 PolarHBondContact O-N 3.35Å; S198-S202 PolarHBondContact O-OG 2.82Å; A199-S202 PolarHBondContact O-N 2.81Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-S202 PolarHBondContact O-N 3.35Å; S202-F204 VanDerWaalsContact C-N 3.32Å; S202-F204 PolarHBondContact O-N 3.3Å; S202-T205 WeakPolarHBondContact O-CB 3.47Å; S202-T205 PolarHBondContact O-N 3.43Å; S202-D206 WeakPolarHBondContact O-CB 3.45Å; S202-D206 PolarHBondContact O-N 2.87Å
203A98.6Very high98.2Very high5 Ų537.2 Ų37.24%0.04122%0.216CC..Hα-helixtrans-60.7-38.1177.200000112.9L144 L145 L148 A199 Y200 T207L144-A203 HydrophobicContact CD2-CB 4.24Å; L145-A203 HydrophobicContact CD2-CB 3.81Å; L148-A203 HydrophobicContact CD1-CB 4.04Å; A199-A203 WeakPolarHBondContact O-CB 3.41Å; A199-A203 PolarHBondContact O-N 3.24Å; Y200-A203 WeakPolarHBondContact O-CB 3.37Å; Y200-A203 PolarHBondContact O-N 2.81Å; Y200-A203 VanDerWaalsContact O-N 3.14Å; A203-T207 WeakPolarHBondContact O-CB 3.45Å; A203-T207 WeakPolarHBondContact O-CG2 3.44Å; A203-T207 PolarHBondContact O-N 2.99Å; A203-T207 PolarHBondContact O-OG1 3.2Å
204F98.5Very high98.2Very high3 Ų337.4 Ų37.41%0.01322%0.218CC..Hα-helixtrans-63.5-47.2175.9-52.9-21.6000110.6L148 I163 Y200 I201 S202 D206 T207 G208 L209 L211 F230 L232L148-F204 HydrophobicContact CD1-CD1 4.06Å; L148-F204 HydrophobicContact CD1-CE1 4.33Å; I163-F204 HydrophobicContact CD1-CD1 4.33Å; I163-F204 HydrophobicContact CD1-CE1 3.39Å; I163-F204 HydrophobicContact CD1-CZ 3.84Å; Y200-F204 HydrophobicContact CD1-CE1 4.5Å; Y200-F204 HydrophobicContact CD1-CZ 4.5Å; Y200-F204 HydrophobicContact CG-CZ 4.48Å; Y200-F204 WeakPolarHBondContact O-CD1 3.48Å; Y200-F204 WeakPolarHBondContact O-CD2 3.28Å; Y200-F204 WeakPolarHBondContact O-CE1 3.14Å; Y200-F204 WeakPolarHBondContact O-CG 3.35Å; Y200-F204 PolarHBondContact O-N 3.46Å; I201-F204 HydrophobicContact CD1-CD2 4.04Å; I201-F204 HydrophobicContact CD1-CE2 4.06Å; I201-F204 PolarHBondContact O-N 3.35Å; S202-F204 VanDerWaalsContact C-N 3.32Å; S202-F204 PolarHBondContact O-N 3.3Å; F204-D206 PolarHBondContact O-N 2.71Å; F204-T207 PolarHBondContact O-N 2.93Å; F204-T207 PolarHBondContact O-OG1 3.19Å; F204-T207 VanDerWaalsContact O-OG1 3.08Å; F204-G208 PolarHBondContact O-N 2.68Å; F204-L209 CarbonylContact C-O 3.47Å; F204-L209 HydrophobicContact CB-CB 4.22Å; F204-L209 PolarHBondContact O-N 3.13Å; F204-L211 HydrophobicContact CD2-CD1 4.5Å; F204-L211 HydrophobicContact CE2-CD1 4.37Å; F204-F230 HydrophobicContact CE2-CB 3.86Å; F204-F230 AromaticContact CE2-CD1 3.85Å; F204-F230 HydrophobicContact CE2-CD1 3.85Å; F204-F230 HydrophobicContact CE2-CD2 4.39Å; F204-F230 HydrophobicContact CE2-CE1 4.49Å; F204-F230 AromaticContact CE2-CG 3.78Å; F204-F230 HydrophobicContact CE2-CG 3.78Å; F204-F230 HydrophobicContact CZ-CB 4Å; F204-F230 HydrophobicContact CZ-CD1 4.41Å; F204-F230 HydrophobicContact CZ-CD2 4.14Å; F204-F230 AromaticContact CZ-CG 3.94Å; F204-F230 HydrophobicContact CZ-CG 3.94Å; F204-L232 HydrophobicContact CB-CD2 4.15Å; F204-L232 HydrophobicContact CD1-CD1 3.56Å; F204-L232 HydrophobicContact CD1-CD2 4.2Å; F204-L232 HydrophobicContact CD2-CD1 4.26Å; F204-L232 HydrophobicContact CD2-CD2 3.43Å; F204-L232 VanDerWaalsContact CD2-CD2 3.43Å; F204-L232 HydrophobicContact CD2-CG 4.47Å; F204-L232 HydrophobicContact CE1-CD1 3.68Å; F204-L232 HydrophobicContact CE2-CD1 4.32Å; F204-L232 HydrophobicContact CE2-CD2 3.78Å; F204-L232 HydrophobicContact CG-CD1 3.89Å; F204-L232 HydrophobicContact CG-CD2 3.66Å; F204-L232 HydrophobicContact CG-CG 4.46Å; F204-L232 HydrophobicContact CZ-CD1 4.03Å; F204-L232 HydrophobicContact CZ-CD2 4.32Å
205T97.5Very high98.2Very high97 Ų9741.6 Ų41.660%0.59523%0.232SC*.Hα-helixtrans-59.8-47.7178.3-53.90000111.5I201 S202 T207 G208I201-T205 PolarHBondContact O-N 2.89Å; I201-T205 VanDerWaalsContact O-N 3.13Å; I201-T205 PolarHBondContact O-OG1 2.94Å; S202-T205 WeakPolarHBondContact O-CB 3.47Å; S202-T205 PolarHBondContact O-N 3.43Å; T205-T207 PolarHBondContact O-N 3.48Å; T205-T207 VanDerWaalsContact O-N 3.14Å; T205-G208 PolarHBondContact O-N 3.29Å; T205-G208 VanDerWaalsContact O-N 3.14Å
206D97.1Very high98.2Very high103 Ų10343.5 Ų43.555%0.55125%0.248SC*.Hα-helixtrans-68.9-11.8-177.9-71.9-13.6000113.9L145 K149 S202 F204L145-D206 HydrophobicContact CD2-CB 3.94Å; K149-D206 WeakPolarHBondContact CE-O 3.5Å; S202-D206 WeakPolarHBondContact O-CB 3.45Å; S202-D206 PolarHBondContact O-N 2.87Å; F204-D206 PolarHBondContact O-N 2.71Å
207T97.3Very high98.2Very high9 Ų944 Ų446%0.05525%0.25CC..THydrogen-bonded Turntrans-110.64.4179.259.40000112.9L145 L148 K149 A203 F204 T205 L209L145-T207 HydrophobicContact CB-CG2 4.17Å; L145-T207 HydrophobicContact CD2-CG2 3.77Å; L145-T207 WeakPolarHBondContact O-CG2 3.38Å; L148-T207 HydrophobicContact CB-CG2 3.98Å; K149-T207 HydrophobicContact CD-CG2 4.42Å; K149-T207 HydrophobicContact CG-CG2 3.81Å; A203-T207 WeakPolarHBondContact O-CB 3.45Å; A203-T207 WeakPolarHBondContact O-CG2 3.44Å; A203-T207 PolarHBondContact O-N 2.99Å; A203-T207 PolarHBondContact O-OG1 3.2Å; F204-T207 PolarHBondContact O-N 2.93Å; F204-T207 PolarHBondContact O-OG1 3.19Å; F204-T207 VanDerWaalsContact O-OG1 3.08Å; T205-T207 PolarHBondContact O-N 3.48Å; T205-T207 VanDerWaalsContact O-N 3.14Å; T207-L209 PolarHBondContact O-N 2.95Å
208G96Very high98.2Very high50 Ų5045 Ų4552%0.51526%0.261SS..THydrogen-bonded Turntrans72.616.5178.900000113.7F204 T205 Y234F204-G208 PolarHBondContact O-N 2.68Å; T205-G208 PolarHBondContact O-N 3.29Å; T205-G208 VanDerWaalsContact O-N 3.14Å; G208-Y234 WeakPolarHBondContact O-CD2 3.31Å
209L98.4Very high98.1Very high10 Ų1050 Ų505%0.05229%0.286CS..EExtended strand (participates in β ladder)trans-87.5142.2175.2-68.4172.2000110L148 A152 I161 F204 T207 L232 Y234L148-L209 HydrophobicContact CB-CD1 4.02Å; L148-L209 HydrophobicContact CD2-CD1 4.37Å; A152-L209 HydrophobicContact CB-CD2 3.84Å; I161-L209 HydrophobicContact CD1-CD1 3.9Å; I161-L209 HydrophobicContact CD1-CD2 3.75Å; F204-L209 CarbonylContact C-O 3.47Å; F204-L209 HydrophobicContact CB-CB 4.22Å; F204-L209 PolarHBondContact O-N 3.13Å; T207-L209 PolarHBondContact O-N 2.95Å; L209-L232 HydrophobicContact CB-CB 4.35Å; L209-L232 HydrophobicContact CB-CD1 4.37Å; L209-L232 HydrophobicContact CD1-CD1 3.91Å; L209-Y234 HydrophobicContact CD2-CD2 4.19Å; L209-Y234 HydrophobicContact CD2-CG 4.43Å
210K98.3Very high98.1Very high120 Ų12049.7 Ų49.752%0.52228%0.279SS..EExtended strand (participates in β ladder)trans-109.6125.5-180-179-176.4177.9-174.60110.3I212 L232 S233K210-I212 HydrophobicContact CG-CG2 4.46Å; K210-I212 PolarHBondContact O-N 3.46Å; K210-L232 CarbonylContact O-C 3.53Å; K210-L232 VanDerWaalsContact O-CA 3.24Å; K210-L232 WeakPolarHBondContact O-CA 3.16Å; K210-S233 PolarHBondContact N-O 3.05Å; K210-S233 PolarHBondContact O-N 2.82Å
211L98.7Very high98Very high61 Ų6152.4 Ų52.432%0.31930%0.297SS..EExtended strand (participates in β ladder)trans-67.7117.8170.9-171.871.4000110.6I201 F204 G213 E214 F230 L232I201-L211 HydrophobicContact CD1-CD2 3.83Å; F204-L211 HydrophobicContact CD2-CD1 4.5Å; F204-L211 HydrophobicContact CE2-CD1 4.37Å; L211-G213 VanDerWaalsContact CD1-O 3.28Å; L211-G213 WeakPolarHBondContact CD1-O 3.19Å; L211-E214 HydrophobicContact CD2-CB 4.45Å; L211-F230 HydrophobicContact CD1-CB 3.85Å; L211-F230 HydrophobicContact CD1-CD1 3.87Å; L211-F230 HydrophobicContact CD1-CG 4.36Å; L211-L232 HydrophobicContact CB-CD2 4.28Å; L211-L232 HydrophobicContact CD1-CD2 3.86Å
212I98.6Very high97.7Very high70 Ų7055.2 Ų55.236%0.35932%0.32SS..EExtended strand (participates in β ladder)trans-108.9-18.9177.259.6165.5000112.8F54 V160 K210 A231 S233F54-I212 VanDerWaalsContact CE1-O 3.28Å; F54-I212 WeakPolarHBondContact CE1-O 3.21Å; V160-I212 HydrophobicContact CG1-CD1 4.43Å; V160-I212 HydrophobicContact CG2-CD1 4.35Å; K210-I212 HydrophobicContact CG-CG2 4.46Å; K210-I212 PolarHBondContact O-N 3.46Å; I212-A231 HydrophobicContact CD1-CB 4.19Å; I212-A231 HydrophobicContact CG1-CB 3.75Å; I212-A231 WeakPolarHBondContact CG1-O 3.25Å; I212-A231 PolarHBondContact N-O 3Å; I212-S233 WeakPolarHBondContact CG2-OG 3.26Å
213G98.8Very high97.5Very high7 Ų757.2 Ų57.27%0.07233%0.334CS..EExtended strand (participates in β ladder)trans-158.6146.9178.600000112.5F54 L211 F230 A231F54-G213 VanDerWaalsContact CE1-CA 3.41Å; L211-G213 VanDerWaalsContact CD1-O 3.28Å; L211-G213 WeakPolarHBondContact CD1-O 3.19Å; G213-F230 WeakPolarHBondContact O-CA 3.32Å; G213-A231 PolarHBondContact N-O 2.56Å; G213-A231 PolarHBondContact O-N 3.03Å
214E98.8Very high97.4Very high29 Ų2959.3 Ų59.314%0.13634%0.342CS..EExtended strand (participates in β ladder)trans-145.4133.8174-176.8177.3-17800110.4R197 L211 R228 M229 F230R197-E214 VanDerWaalsContact CD-OE1 3.27Å; R197-E214 WeakPolarHBondContact CD-OE1 3.11Å; R197-E214 IonicContact CZ-OE1 2.96Å; R197-E214 IonicContact CZ-OE2 2.97Å; R197-E214 VanDerWaalsContact CZ-OE2 3.3Å; R197-E214 VanDerWaalsContact NE-CD 3.29Å; R197-E214 IonicContact NE-OE1 2.65Å; R197-E214 PolarHBondContact NE-OE1 3.02Å; R197-E214 IonicContact NE-OE2 2.71Å; R197-E214 PolarHBondContact NE-OE2 3.05Å; R197-E214 IonicContact NH2-OE1 3.37Å; R197-E214 IonicContact NH2-OE2 2.91Å; R197-E214 PolarHBondContact NH2-OE2 2.83Å; L211-E214 HydrophobicContact CD2-CB 4.45Å; E214-R228 IonicContact OE1-CZ 3.36Å; E214-R228 IonicContact OE1-NE 3.71Å; E214-R228 PolarHBondContact OE1-NE 3.15Å; E214-R228 IonicContact OE1-NH2 2.77Å; E214-R228 PolarHBondContact OE1-NH2 2.76Å; E214-R228 IonicContact OE2-NH2 3.73Å; E214-M229 VanDerWaalsContact CA-O 3.25Å; E214-M229 WeakPolarHBondContact CA-O 3.31Å; E214-F230 HydrophobicContact CB-CD1 4.38Å; E214-F230 VanDerWaalsContact CD-CE1 3.47Å; E214-F230 HydrophobicContact CG-CD1 3.87Å; E214-F230 HydrophobicContact CG-CE1 3.87Å; E214-F230 VanDerWaalsContact OE1-CE1 3.24Å; E214-F230 WeakPolarHBondContact OE1-CE1 3.43Å
215R98.7Very high97.4Very high105 Ų10563.4 Ų63.440%0.39636%0.358SS..EExtended strand (participates in β ladder)trans-141147.6175-67.1-65.7-179.7-96.14.1111.2F50 E53 F54 R228 M229F50-R215 HydrophobicContact CD2-CB 3.74Å; F50-R215 HydrophobicContact CD2-CG 3.61Å; F50-R215 HydrophobicContact CE2-CB 3.94Å; F50-R215 HydrophobicContact CE2-CG 3.81Å; E53-R215 IonicContact OE1-CZ 3.79Å; E53-R215 IonicContact OE1-NH2 3.09Å; E53-R215 PolarHBondContact OE1-NH2 2.87Å; E53-R215 IonicContact OE2-CZ 3.3Å; E53-R215 IonicContact OE2-NE 3.04Å; E53-R215 PolarHBondContact OE2-NE 3Å; E53-R215 IonicContact OE2-NH2 2.7Å; E53-R215 PolarHBondContact OE2-NH2 2.95Å; F54-R215 HydrophobicContact CE2-CG 4.33Å; R215-R228 WeakPolarHBondContact O-CA 3.18Å; R215-M229 HydrophobicContact CB-CE 4.21Å; R215-M229 PolarHBondContact N-O 3.48Å; R215-M229 PolarHBondContact O-N 3.25Å
216A98.3Very high97.4Very high40 Ų4059.1 Ų59.133%0.33133%0.332SS..EExtended strand (participates in β ladder)trans-77.8142.4166.500000110.2
217Q98.4Very high97.5Very high13 Ų1354.5 Ų54.56%0.06131%0.308CS..  trans-67.8133.9160.1176.963.75700108.9P42 D46 F220 V227P42-Q217 VanDerWaalsContact C-NE2 3.35Å; P42-Q217 PolarHBondContact O-NE2 3.46Å; D46-Q217 PolarHBondContact OD2-NE2 2.65Å; D46-Q217 VanDerWaalsContact OD2-NE2 3.13Å; Q217-F220 HydrophobicContact CG-CD1 3.58Å; Q217-F220 HydrophobicContact CG-CD2 3.86Å; Q217-F220 HydrophobicContact CG-CE1 3.6Å; Q217-F220 HydrophobicContact CG-CE2 3.88Å; Q217-F220 HydrophobicContact CG-CG 3.72Å; Q217-F220 HydrophobicContact CG-CZ 3.75Å; Q217-V227 HydrophobicContact CB-CB 3.6Å; Q217-V227 HydrophobicContact CB-CG1 3.88Å; Q217-V227 WeakPolarHBondContact CB-O 3.44Å; Q217-V227 HydrophobicContact CG-CB 4.19Å; Q217-V227 HydrophobicContact CG-CG1 4.46Å; Q217-V227 PolarHBondContact N-O 3.11Å
218T97.9Very high97.6Very high64 Ų6454.9 Ų54.939%0.39331%0.308SS..  trans-109.3170179.571.80000110.6D46 F220D46-T218 VanDerWaalsContact CG-OG1 3.32Å; D46-T218 PolarHBondContact OD1-OG1 3.34Å; D46-T218 WeakPolarHBondContact OD2-CA 3.22Å; D46-T218 WeakPolarHBondContact OD2-CB 3.39Å; D46-T218 PolarHBondContact OD2-N 2.92Å; D46-T218 PolarHBondContact OD2-OG1 2.72Å; T218-F220 PolarHBondContact O-N 2.81Å
219N96.7Very high97.7Very high131 Ų13152.6 Ų52.670%0.70128%0.284SS*.SBendtrans58.819.2175.8-55.1-54.1000115.2P42P42-N219 HydrophobicContact CB-CB 3.82Å
220F97.6Very high97.7Very high22 Ų2252.1 Ų52.110%0.09628%0.282CS..SBendtrans-93.2149.4169.3-84.829.7000109.9L39 P42 D43 W134 Q217 T218 V227L39-F220 HydrophobicContact CB-CE1 4.11Å; L39-F220 HydrophobicContact CB-CE2 4.34Å; L39-F220 HydrophobicContact CB-CZ 3.86Å; L39-F220 HydrophobicContact CD1-CD2 4.44Å; L39-F220 HydrophobicContact CD1-CE2 4.05Å; L39-F220 HydrophobicContact CD1-CZ 4.4Å; L39-F220 HydrophobicContact CD2-CD1 3.91Å; L39-F220 HydrophobicContact CD2-CD2 3.96Å; L39-F220 HydrophobicContact CD2-CE1 4.05Å; L39-F220 HydrophobicContact CD2-CE2 4.08Å; L39-F220 HydrophobicContact CD2-CG 3.86Å; L39-F220 HydrophobicContact CD2-CZ 4.14Å; L39-F220 HydrophobicContact CG-CE2 4.38Å; L39-F220 HydrophobicContact CG-CZ 4.35Å; P42-F220 HydrophobicContact CB-CD1 4.12Å; P42-F220 HydrophobicContact CB-CE1 3.99Å; P42-F220 HydrophobicContact CG-CD1 4.01Å; P42-F220 HydrophobicContact CG-CE1 3.81Å; D43-F220 HydrophobicContact CB-CE1 4.25Å; D43-F220 HydrophobicContact CB-CZ 3.99Å; W134-F220 HydrophobicContact CH2-CE2 4.04Å; W134-F220 HydrophobicContact CH2-CZ 4.09Å; W134-F220 AromaticContact CZ2-CE2 3.87Å; W134-F220 HydrophobicContact CZ2-CE2 3.87Å; W134-F220 HydrophobicContact CZ2-CZ 4.26Å; Q217-F220 HydrophobicContact CG-CD1 3.58Å; Q217-F220 HydrophobicContact CG-CD2 3.86Å; Q217-F220 HydrophobicContact CG-CE1 3.6Å; Q217-F220 HydrophobicContact CG-CE2 3.88Å; Q217-F220 HydrophobicContact CG-CG 3.72Å; Q217-F220 HydrophobicContact CG-CZ 3.75Å; T218-F220 PolarHBondContact O-N 2.81Å; F220-V227 HydrophobicContact CD2-CG2 4.3Å; F220-V227 HydrophobicContact CE2-CG2 4.21Å
221P96.2Very high97.8Very high57 Ų5746.4 Ų46.437%0.3726%0.257SS..  trans-64.1141.7177.3-16.630000111.2S223 F224P221-S223 PolarHBondContact O-N 3Å; P221-F224 HydrophobicContact CB-CD2 3.74Å; P221-F224 HydrophobicContact CB-CE2 3.86Å; P221-F224 HydrophobicContact CG-CD2 3.86Å; P221-F224 HydrophobicContact CG-CE2 3.65Å; P221-F224 WeakPolarHBondContact O-CD2 3.01Å; P221-F224 PolarHBondContact O-N 3.17Å; P221-F224 VanDerWaalsContact O-N 3.1Å
222S93.9Very high97.8Very high102 Ų10243.5 Ų43.571%0.71324%0.242SC*.THydrogen-bonded Turntrans-66.7-8.8-178.161.70000114.2F224S222-F224 VanDerWaalsContact C-N 3.28Å
223S93.9Very high97.8Very high104 Ų10441.2 Ų41.273%0.72723%0.232SC*.THydrogen-bonded Turntrans-77.6-11.6174.158.20000113.6P221P221-S223 PolarHBondContact O-N 3Å
224F96.1Very high97.7Very high48 Ų4843.5 Ų43.521%0.21124%0.239CC..SBendtrans-90.2160.1177.6-71-106.2000110.6Y36 L39 H173 P221 S222Y36-F224 HydrophobicContact CD1-CE1 4.09Å; Y36-F224 AromaticContact CD1-CZ 3.48Å; Y36-F224 HydrophobicContact CD1-CZ 3.48Å; Y36-F224 VanDerWaalsContact CD1-CZ 3.48Å; Y36-F224 AromaticContact CD2-CE1 3.69Å; Y36-F224 HydrophobicContact CD2-CE1 3.69Å; Y36-F224 AromaticContact CD2-CZ 3.97Å; Y36-F224 HydrophobicContact CD2-CZ 3.97Å; Y36-F224 HydrophobicContact CE1-CE1 4.2Å; Y36-F224 AromaticContact CE1-CZ 3.56Å; Y36-F224 HydrophobicContact CE1-CZ 3.56Å; Y36-F224 AromaticContact CE2-CE1 3.83Å; Y36-F224 HydrophobicContact CE2-CE1 3.83Å; Y36-F224 HydrophobicContact CE2-CZ 4.06Å; Y36-F224 AromaticContact CG-CE1 3.8Å; Y36-F224 HydrophobicContact CG-CE1 3.8Å; Y36-F224 AromaticContact CG-CZ 3.67Å; Y36-F224 HydrophobicContact CG-CZ 3.67Å; Y36-F224 AromaticContact CZ-CZ 3.84Å; L39-F224 HydrophobicContact CD1-CD1 4.25Å; L39-F224 HydrophobicContact CD1-CE1 3.82Å; L39-F224 HydrophobicContact CD1-CZ 4.31Å; H173-F224 PolarHBondContact NE2-O 3.37Å; P221-F224 HydrophobicContact CB-CD2 3.74Å; P221-F224 HydrophobicContact CB-CE2 3.86Å; P221-F224 HydrophobicContact CG-CD2 3.86Å; P221-F224 HydrophobicContact CG-CE2 3.65Å; P221-F224 WeakPolarHBondContact O-CD2 3.01Å; P221-F224 PolarHBondContact O-N 3.17Å; P221-F224 VanDerWaalsContact O-N 3.1Å; S222-F224 VanDerWaalsContact C-N 3.28Å
225Y98Very high97Very high89 Ų8948.4 Ų48.435%0.34927%0.266SS..PPolyproline II helixtrans-53.2140.3162.7-72.7-68.6000110N166 I167 T168 N185 T194 V227N166-Y225 HydrophobicContact CB-CD2 4.5Å; N166-Y225 HydrophobicContact CB-CG 4.41Å; I167-Y225 WeakPolarHBondContact O-CD1 3.41Å; T168-Y225 HydrophobicContact CG2-CE1 4.34Å; N185-Y225 PolarHBondContact ND2-OH 3.2Å; N185-Y225 VanDerWaalsContact ND2-OH 3.11Å; T194-Y225 HydrophobicContact CG2-CD1 4.11Å; T194-Y225 HydrophobicContact CG2-CD2 4.21Å; T194-Y225 HydrophobicContact CG2-CE1 4.2Å; T194-Y225 HydrophobicContact CG2-CE2 4.29Å; T194-Y225 HydrophobicContact CG2-CG 4.12Å; Y225-V227 PolarHBondContact O-N 3.14Å
226P98.4Very high96Very high8 Ų844.8 Ų44.85%0.05226%0.261CS..PPolyproline II helixtrans-58.9138.8166.524.5-31.4000109.2I167 I178I167-P226 HydrophobicContact CB-CG 4.45Å; I167-P226 PolarHBondContact N-O 2.68Å; I167-P226 VanDerWaalsContact O-CD 3.23Å; I167-P226 WeakPolarHBondContact O-CD 3.26Å; I167-P226 WeakPolarHBondContact O-CG 3.45Å; I178-P226 HydrophobicContact CD1-CB 3.57Å; I178-P226 HydrophobicContact CD1-CG 3.82Å; I178-P226 HydrophobicContact CG1-CB 4.09Å; I178-P226 HydrophobicContact CG1-CG 3.75Å
227V98.8Very high94.5Very high5 Ų547.4 Ų47.43%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-108.1136177.3174.10000108.8W134 K164 E165 N166 Q217 F220 Y225W134-V227 HydrophobicContact CZ2-CG1 4.4Å; W134-V227 HydrophobicContact CZ2-CG2 4.14Å; K164-V227 HydrophobicContact CG-CG1 3.83Å; E165-V227 WeakPolarHBondContact O-CA 3.28Å; N166-V227 WeakPolarHBondContact OD1-CG2 3.14Å; Q217-V227 HydrophobicContact CB-CB 3.6Å; Q217-V227 HydrophobicContact CB-CG1 3.88Å; Q217-V227 WeakPolarHBondContact CB-O 3.44Å; Q217-V227 HydrophobicContact CG-CB 4.19Å; Q217-V227 HydrophobicContact CG-CG1 4.46Å; Q217-V227 PolarHBondContact N-O 3.11Å; F220-V227 HydrophobicContact CD2-CG2 4.3Å; F220-V227 HydrophobicContact CE2-CG2 4.21Å; Y225-V227 PolarHBondContact O-N 3.14Å
228R98.7Very high92.7Very high18 Ų1848.1 Ų48.17%0.06828%0.275CS..EExtended strand (participates in β ladder)trans-124.3143.1178.2-68.1-74.2-93.4-145.6-11110.5K164 E165 I167 E175 E214 R215 F230K164-R228 WeakPolarHBondContact CA-O 3.36Å; E165-R228 PolarHBondContact N-O 2.83Å; E165-R228 PolarHBondContact O-N 2.84Å; I167-R228 HydrophobicContact CD1-CB 4.49Å; I167-R228 HydrophobicContact CG1-CB 3.84Å; I167-R228 HydrophobicContact CG1-CG 3.71Å; E175-R228 IonicContact OE1-CZ 3.89Å; E175-R228 IonicContact OE1-NH1 3.05Å; E175-R228 PolarHBondContact OE1-NH1 2.72Å; E175-R228 IonicContact OE1-NH2 3.91Å; E175-R228 PolarHBondContact OE1-NH2 2.83Å; E175-R228 IonicContact OE2-NH1 3.34Å; E175-R228 PolarHBondContact OE2-NH1 3.25Å; E175-R228 VanDerWaalsContact OE2-NH1 3.13Å; E214-R228 IonicContact OE1-CZ 3.36Å; E214-R228 IonicContact OE1-NE 3.71Å; E214-R228 PolarHBondContact OE1-NE 3.15Å; E214-R228 IonicContact OE1-NH2 2.77Å; E214-R228 PolarHBondContact OE1-NH2 2.76Å; E214-R228 IonicContact OE2-NH2 3.73Å; R215-R228 WeakPolarHBondContact O-CA 3.18Å; R228-F230 HydrophobicContact CB-CE1 4.42Å; R228-F230 HydrophobicContact CB-CE2 3.68Å; R228-F230 HydrophobicContact CB-CZ 3.63Å; R228-F230 HydrophobicContact CG-CZ 4.41Å
229M98.9Very high90.8Very high2 Ų253.7 Ų53.71%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-107.6132.5170.7-67167.7-73.500109D46 F50 I163 K164 E214 R215D46-M229 HydrophobicContact CB-CE 4.02Å; F50-M229 HydrophobicContact CB-CE 4.32Å; F50-M229 HydrophobicContact CB-SD 3.86Å; F50-M229 HydrophobicContact CD1-CB 4.04Å; F50-M229 HydrophobicContact CD1-SD 4.48Å; F50-M229 HydrophobicContact CD2-CB 3.86Å; F50-M229 HydrophobicContact CD2-CE 4.44Å; F50-M229 HydrophobicContact CD2-SD 4.42Å; F50-M229 HydrophobicContact CE1-CB 3.97Å; F50-M229 HydrophobicContact CE2-CB 3.8Å; F50-M229 HydrophobicContact CG-CB 3.98Å; F50-M229 HydrophobicContact CG-SD 4.01Å; F50-M229 HydrophobicContact CZ-CB 3.86Å; I163-M229 CarbonylContact O-C 3.47Å; I163-M229 VanDerWaalsContact O-CA 3.25Å; I163-M229 WeakPolarHBondContact O-CA 3.39Å; K164-M229 HydrophobicContact CB-CG 3.9Å; K164-M229 HydrophobicContact CD-CG 3.59Å; K164-M229 HydrophobicContact CD-SD 3.83Å; K164-M229 HydrophobicContact CG-CG 3.53Å; K164-M229 HydrophobicContact CG-SD 4.43Å; E214-M229 VanDerWaalsContact CA-O 3.25Å; E214-M229 WeakPolarHBondContact CA-O 3.31Å; R215-M229 HydrophobicContact CB-CE 4.21Å; R215-M229 PolarHBondContact N-O 3.48Å; R215-M229 PolarHBondContact O-N 3.25Å
230F98.9Very high88.9Confident0 Ų050.1 Ų50.10%028%0.279CS..EExtended strand (participates in β ladder)trans-123.4128177.8-52.6-88.4000109V162 I163 I167 R197 I201 F204 L211 G213 E214 R228V162-F230 CarbonylContact C-O 3.58Å; V162-F230 VanDerWaalsContact CA-O 3.29Å; V162-F230 WeakPolarHBondContact CA-O 3.2Å; I163-F230 HydrophobicContact CB-CB 4.5Å; I163-F230 HydrophobicContact CB-CD2 4.39Å; I163-F230 HydrophobicContact CG2-CD2 4.29Å; I163-F230 PolarHBondContact N-O 2.99Å; I163-F230 PolarHBondContact O-N 3.42Å; I167-F230 HydrophobicContact CD1-CE2 4.2Å; I167-F230 HydrophobicContact CD1-CZ 4.2Å; R197-F230 HydrophobicContact CG-CE1 4.17Å; R197-F230 HydrophobicContact CG-CZ 4.18Å; I201-F230 HydrophobicContact CD1-CD1 4.34Å; I201-F230 HydrophobicContact CD1-CE1 4.16Å; F204-F230 HydrophobicContact CE2-CB 3.86Å; F204-F230 AromaticContact CE2-CD1 3.85Å; F204-F230 HydrophobicContact CE2-CD1 3.85Å; F204-F230 HydrophobicContact CE2-CD2 4.39Å; F204-F230 HydrophobicContact CE2-CE1 4.49Å; F204-F230 AromaticContact CE2-CG 3.78Å; F204-F230 HydrophobicContact CE2-CG 3.78Å; F204-F230 HydrophobicContact CZ-CB 4Å; F204-F230 HydrophobicContact CZ-CD1 4.41Å; F204-F230 HydrophobicContact CZ-CD2 4.14Å; F204-F230 AromaticContact CZ-CG 3.94Å; F204-F230 HydrophobicContact CZ-CG 3.94Å; L211-F230 HydrophobicContact CD1-CB 3.85Å; L211-F230 HydrophobicContact CD1-CD1 3.87Å; L211-F230 HydrophobicContact CD1-CG 4.36Å; G213-F230 WeakPolarHBondContact O-CA 3.32Å; E214-F230 HydrophobicContact CB-CD1 4.38Å; E214-F230 VanDerWaalsContact CD-CE1 3.47Å; E214-F230 HydrophobicContact CG-CD1 3.87Å; E214-F230 HydrophobicContact CG-CE1 3.87Å; E214-F230 VanDerWaalsContact OE1-CE1 3.24Å; E214-F230 WeakPolarHBondContact OE1-CE1 3.43Å; R228-F230 HydrophobicContact CB-CE1 4.42Å; R228-F230 HydrophobicContact CB-CE2 3.68Å; R228-F230 HydrophobicContact CB-CZ 3.63Å; R228-F230 HydrophobicContact CG-CZ 4.41Å
231A98.9Very high86.6Confident0 Ų053.4 Ų53.40%031%0.305CS..EExtended strand (participates in β ladder)trans-103.1130.5171.700000108.6F50 F54 V160 I161 V162 I212 G213F50-A231 HydrophobicContact CE1-CB 3.73Å; F50-A231 HydrophobicContact CZ-CB 3.66Å; F54-A231 HydrophobicContact CB-CB 3.53Å; F54-A231 HydrophobicContact CG-CB 4.1Å; V160-A231 HydrophobicContact CG1-CB 4.14Å; I161-A231 WeakPolarHBondContact O-CA 3.47Å; V162-A231 HydrophobicContact CG2-CB 4.48Å; I212-A231 HydrophobicContact CD1-CB 4.19Å; I212-A231 HydrophobicContact CG1-CB 3.75Å; I212-A231 WeakPolarHBondContact CG1-O 3.25Å; I212-A231 PolarHBondContact N-O 3Å; G213-A231 PolarHBondContact N-O 2.56Å; G213-A231 PolarHBondContact O-N 3.03Å
232L98.9Very high84.6Confident0 Ų054.4 Ų54.40%031%0.311CS..EExtended strand (participates in β ladder)trans-126.1133.4-173.8-52.7171.3000110.4V160 I161 I163 F204 L209 K210 L211V160-L232 WeakPolarHBondContact CA-O 3.46Å; I161-L232 HydrophobicContact CB-CB 4.22Å; I161-L232 HydrophobicContact CB-CD1 4.5Å; I161-L232 HydrophobicContact CG2-CD1 4.38Å; I161-L232 PolarHBondContact N-O 3.3Å; I161-L232 PolarHBondContact O-N 3.17Å; I163-L232 HydrophobicContact CD1-CD1 3.69Å; I163-L232 HydrophobicContact CG1-CD1 4.49Å; F204-L232 HydrophobicContact CB-CD2 4.15Å; F204-L232 HydrophobicContact CD1-CD1 3.56Å; F204-L232 HydrophobicContact CD1-CD2 4.2Å; F204-L232 HydrophobicContact CD2-CD1 4.26Å; F204-L232 HydrophobicContact CD2-CD2 3.43Å; F204-L232 VanDerWaalsContact CD2-CD2 3.43Å; F204-L232 HydrophobicContact CD2-CG 4.47Å; F204-L232 HydrophobicContact CE1-CD1 3.68Å; F204-L232 HydrophobicContact CE2-CD1 4.32Å; F204-L232 HydrophobicContact CE2-CD2 3.78Å; F204-L232 HydrophobicContact CG-CD1 3.89Å; F204-L232 HydrophobicContact CG-CD2 3.66Å; F204-L232 HydrophobicContact CG-CG 4.46Å; F204-L232 HydrophobicContact CZ-CD1 4.03Å; F204-L232 HydrophobicContact CZ-CD2 4.32Å; L209-L232 HydrophobicContact CB-CB 4.35Å; L209-L232 HydrophobicContact CB-CD1 4.37Å; L209-L232 HydrophobicContact CD1-CD1 3.91Å; K210-L232 CarbonylContact O-C 3.53Å; K210-L232 VanDerWaalsContact O-CA 3.24Å; K210-L232 WeakPolarHBondContact O-CA 3.16Å; L211-L232 HydrophobicContact CB-CD2 4.28Å; L211-L232 HydrophobicContact CD1-CD2 3.86Å
233S98.2Very high82.4Confident22 Ų2255.4 Ų55.415%0.15431%0.313CS..EExtended strand (participates in β ladder)trans-103.3160.5167.373.20000110.9K210 I212K210-S233 PolarHBondContact N-O 3.05Å; K210-S233 PolarHBondContact O-N 2.82Å; I212-S233 WeakPolarHBondContact CG2-OG 3.26Å
234Y96.7Very high79.9Confident55 Ų5560 Ų6022%0.21632%0.32CS..EExtended strand (participates in β ladder)trans-126.9117.8172.8-176.7-120.3000109.8A152 H153 G208 L209 G236A152-Y234 HydrophobicContact CB-CD1 4Å; A152-Y234 HydrophobicContact CB-CD2 3.76Å; A152-Y234 HydrophobicContact CB-CE1 4.22Å; A152-Y234 HydrophobicContact CB-CE2 4Å; A152-Y234 HydrophobicContact CB-CG 3.76Å; A152-Y234 WeakPolarHBondContact O-CD1 3.25Å; H153-Y234 PolarHBondContact CE1-OH 3.16Å; G208-Y234 WeakPolarHBondContact O-CD2 3.31Å; L209-Y234 HydrophobicContact CD2-CD2 4.19Å; L209-Y234 HydrophobicContact CD2-CG 4.43Å; Y234-G236 WeakPolarHBondContact CE1-O 3.3Å
235D85.3Confident77.1Confident132 Ų13263 Ų6371%0.70635%0.347SS*.  trans-91.4-1.9-179-63.6-23.3000112.5
236G76.4Confident74Confident28 Ų2863.6 Ų63.629%0.28936%0.364SS..SBendtrans-76.6161.6177.800000112.6Y234 P238Y234-G236 WeakPolarHBondContact CE1-O 3.3Å; G236-P238 WeakPolarHBondContact O-CD 3.47Å
237D68.3Low71Confident95 Ų9569 Ų6951%0.50840%0.4SS..  trans-68.9115.1174.3-177.2-0.8000109.6K239 S240D237-K239 PolarHBondContact O-N 3.19Å; D237-K239 WeakPolarHBondContact OD1-CB 2.83Å; D237-K239 PolarHBondContact OD1-N 3.14Å; D237-S240 PolarHBondContact O-N 2.96Å; D237-S240 PolarHBondContact O-OG 2.82Å
238P59.1Low68Low29 Ų2978.1 Ų78.119%0.18844%0.439CS..THydrogen-bonded Turntrans-57.1-25179.3-21.132000112.5T124 G236T124-P238 VanDerWaalsContact CG2-O 3.32Å; T124-P238 WeakPolarHBondContact CG2-O 3.08Å; G236-P238 WeakPolarHBondContact O-CD 3.47Å
239K58.3Low65.1Low181 Ų18183.1 Ų83.179%0.78747%0.473SS*.THydrogen-bonded Turntrans-82-15-178.7-61.5-178.9-179.5176.20113.9D237 S241D237-K239 PolarHBondContact O-N 3.19Å; D237-K239 WeakPolarHBondContact OD1-CB 2.83Å; D237-K239 PolarHBondContact OD1-N 3.14Å; K239-S241 PolarHBondContact O-N 2.9Å; K239-S241 VanDerWaalsContact O-N 3.16Å
240S57.2Low62.2Low56 Ų5690.5 Ų90.539%0.39251%0.512SS..SBendtrans-70.4109.1173.565.50000108.4H153 D237H153-S240 PolarHBondContact CE1-O 2.62Å; H153-S240 PolarHBondContact ND1-O 3.06Å; D237-S240 PolarHBondContact O-N 2.96Å; D237-S240 PolarHBondContact O-OG 2.82Å
241S50.4Low59.5Low91 Ų9195.9 Ų95.964%0.63655%0.547SS*.  trans-70.1148.2-176.657.20000111.2K239 T243K239-S241 PolarHBondContact O-N 2.9Å; K239-S241 VanDerWaalsContact O-N 3.16Å; S241-T243 VanDerWaalsContact C-N 3.35Å; S241-T243 PolarHBondContact O-N 2.73Å
242P52.9Low57.1Low77 Ų77102.4 Ų102.450%0.559%0.587SS.*  trans-64.8102.5165.125.5-29.5000106.5K244P242-K244 PolarHBondContact O-N 3.34Å
243T47.9Very low54.6Low123 Ų123108.5 Ų108.576%0.75562%0.624SS**  trans-47.5119.7175.850.30000108S241 S245S241-T243 VanDerWaalsContact C-N 3.35Å; S241-T243 PolarHBondContact O-N 2.73Å; T243-S245 VanDerWaalsContact C-N 3.35Å; T243-S245 PolarHBondContact O-N 3.43Å
244K41.4Very low52.3Low202 Ų202113 Ų11388%0.87866%0.655SS**  trans-51.1106.5165.4-82.4-179.2176.2177.70105.9P242 S246P242-K244 PolarHBondContact O-N 3.34Å; K244-S246 PolarHBondContact O-N 3.13Å
245S38.3Very low50Low109 Ų109120 Ų12076%0.76270%0.703SS**  trans-60106.2170.954.20000106T243T243-S245 VanDerWaalsContact C-N 3.35Å; T243-S245 PolarHBondContact O-N 3.43Å
246S31.7Very low48.3Very low103 Ų103119.4 Ų119.472%0.7270%0.703SS**PPolyproline II helixtrans-57.3133168.434.20000107.4K244 K248K244-S246 PolarHBondContact O-N 3.13Å; S246-K248 PolarHBondContact O-N 2.74Å
247P36.8Very low46.8Very low122 Ų122124.2 Ų124.279%0.79273%0.725SS**PPolyproline II helixtrans-58.1127.1178.422.7-30.9000108.5
248K35.3Very low45.6Very low195 Ų195125.8 Ų125.885%0.84874%0.737SS**PPolyproline II helixtrans-55.5135.7171.8-92.9-177.9175.5177.60108.4S246 L250S246-K248 PolarHBondContact O-N 2.74Å; K248-L250 PolarHBondContact O-N 3.21Å
249P37.7Very low44.8Very low123 Ų123131.5 Ų131.580%0.79977%0.769SS**PPolyproline II helixtrans-56.8132.7172.9-16.928.2000109.3
250L37.7Very low44Very low158 Ų158128.4 Ų128.483%0.82777%0.768SS**PPolyproline II helixtrans-58.8139.4168.4-97.3122.6000109.1K248 T252K248-L250 PolarHBondContact O-N 3.21Å; L250-T252 PolarHBondContact O-N 2.86Å
251P42.8Very low43.1Very low112 Ų112133.3 Ų133.373%0.72779%0.794SS**PPolyproline II helixtrans-59.7124.3174.623.4-30.6000109.4V253P251-V253 PolarHBondContact O-N 3.16Å; P251-V253 VanDerWaalsContact O-N 3.16Å
252T48.5Very low42.6Very low138 Ų138136.3 Ų136.385%0.84781%0.805SS**  trans-62.6112.8168.841.60000108.4L250 S254L250-T252 PolarHBondContact O-N 2.86Å; T252-S254 PolarHBondContact O-N 3.4Å
253V46.7Very low41.8Very low127 Ų127140.8 Ų140.877%0.7783%0.828SS**  trans-72107.8169.2-1780000107.1P251 V255P251-V253 PolarHBondContact O-N 3.16Å; P251-V253 VanDerWaalsContact O-N 3.16Å; V253-V255 HydrophobicContact CG1-CG2 4.02Å; V253-V255 PolarHBondContact O-N 3.2Å
254S49.9Very low41.3Very low116 Ų116142.3 Ų142.381%0.81183%0.834SS**  trans-71113.7163.548.40000108.7T252T252-S254 PolarHBondContact O-N 3.4Å
255V48.5Very low41.2Very low203 Ų203136.9 Ų136.9100%1.2383%0.83SS**  trans-115.50154.7-1760000107V253V253-V255 HydrophobicContact CG1-CG2 4.02Å; V253-V255 PolarHBondContact O-N 3.2Å

Retrieved 255 of 255 residues in 266.3 ms (Link to these results)

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