A0A5K4F6T2_SCHMA Loading...

NTF2-related export protein

Has a role in nuclear-cytoplasmic transport of proteins and mRNAs.

AlphaFold DB , UniProt , Accession A0A5K4F6T2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 139 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
1M38.2Very low55.8Low241 Ų241118.3 Ų118.3100%1.18768%0.678SS**  0103.50-91.3167.6147.900107Q3M1-Q3 PolarHBondContact O-N 3.39Å
2G43.5Very low58.6Low75 Ų75116.4 Ų116.477%0.77366%0.664SS**  trans-70.2119.5175.400000108.5T4G2-T4 VanDerWaalsContact C-N 3.29Å; G2-T4 PolarHBondContact O-N 3.01Å; G2-T4 VanDerWaalsContact O-N 3.09Å
3Q43.7Very low61.2Low179 Ų179116.6 Ų116.684%0.83666%0.656SS**  trans-71.399159.2-74.1-179.21700105.3M1 T5M1-Q3 PolarHBondContact O-N 3.39Å; Q3-T5 PolarHBondContact O-N 3.34Å
4T43.8Very low63.5Low136 Ų136111.4 Ų111.483%0.83463%0.625SS**  trans-72.986.4160.6-46.90000104.8G2 E6G2-T4 VanDerWaalsContact C-N 3.29Å; G2-T4 PolarHBondContact O-N 3.01Å; G2-T4 VanDerWaalsContact O-N 3.09Å; T4-E6 PolarHBondContact O-N 3.12Å; T4-E6 VanDerWaalsContact O-N 3.15Å
5T53.3Low65.6Low107 Ų107112.2 Ų112.266%0.65661%0.614SS**  trans-57.8118.5166.8-3.20000105.8Q3 V7Q3-T5 PolarHBondContact O-N 3.34Å; T5-V7 PolarHBondContact O-N 2.71Å
6E49.5Very low67.5Low171 Ų171113.6 Ų113.680%0.79961%0.613SS**  trans-51.9109165-74.5179.5162.800106.1T4 T8T4-E6 PolarHBondContact O-N 3.12Å; T4-E6 VanDerWaalsContact O-N 3.15Å; E6-T8 PolarHBondContact O-N 2.79Å
7V52.6Low69.2Low87 Ų87110.2 Ų110.253%0.52760%0.597SS.*  trans-63.3106.5176.4-178.90000104.8T5 D11 D12T5-V7 PolarHBondContact O-N 2.71Å; V7-D11 HydrophobicContact CG1-CB 3.91Å; V7-D12 WeakPolarHBondContact CG1-OD1 3.47Å
8T55.5Low70.7Confident74 Ų74104.2 Ų104.245%0.45456%0.564SS.*  trans-72.9151.3-177.564.60000108.2E6 N10 D11 D12E6-T8 PolarHBondContact O-N 2.79Å; T8-N10 PolarHBondContact O-N 3.16Å; T8-D11 PolarHBondContact N-OD2 3.16Å; T8-D11 WeakPolarHBondContact O-CB 3.5Å; T8-D11 PolarHBondContact O-N 3.15Å; T8-D11 PolarHBondContact OG1-OD2 2.74Å; T8-D12 PolarHBondContact O-N 3.22Å
9S70.2Confident72.1Confident91 Ų91101 Ų10164%0.63655%0.551SS**Hα-helixtrans-47.6-30.9177.4178.50000113.6E13S9-E13 PolarHBondContact O-N 2.7Å
10N78.5Confident73.4Confident83 Ų8399.9 Ų99.944%0.44454%0.542SS..Hα-helixtrans-72.1-31.8178.6-179.977.5000112.7T8 L14T8-N10 PolarHBondContact O-N 3.16Å; N10-L14 WeakPolarHBondContact O-CG 3.46Å; N10-L14 PolarHBondContact O-N 2.83Å
11D84.9Confident74.5Confident57 Ų5795.4 Ų95.431%0.30552%0.518SS..Hα-helixtrans-69.5-44.7177.6-62.5-37.3000110.4V7 T8 E13 L14 W15V7-D11 HydrophobicContact CG1-CB 3.91Å; T8-D11 PolarHBondContact N-OD2 3.16Å; T8-D11 WeakPolarHBondContact O-CB 3.5Å; T8-D11 PolarHBondContact O-N 3.15Å; T8-D11 PolarHBondContact OG1-OD2 2.74Å; D11-E13 VanDerWaalsContact C-N 3.27Å; D11-E13 PolarHBondContact O-N 3.05Å; D11-L14 WeakPolarHBondContact O-CA 3.46Å; D11-L14 WeakPolarHBondContact O-CB 3.41Å; D11-L14 PolarHBondContact O-N 3.09Å; D11-W15 PolarHBondContact O-N 3.34Å
12D89.9Confident77.4Confident96 Ų9683.9 Ų83.951%0.51346%0.461SS..Hα-helixtrans-56.3-41.2176.6-75.1-21.1000112.2V7 T8 W15 K16V7-D12 WeakPolarHBondContact CG1-OD1 3.47Å; T8-D12 PolarHBondContact O-N 3.22Å; D12-W15 PolarHBondContact O-N 3.17Å; D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 PolarHBondContact O-N 2.95Å
13E92.4Very high80Confident119 Ų11985.3 Ų85.356%0.55645%0.448SS*.Hα-helixtrans-64.5-39175.4-72.5-179.9-17900112.5S9 D11 T17S9-E13 PolarHBondContact O-N 2.7Å; D11-E13 VanDerWaalsContact C-N 3.27Å; D11-E13 PolarHBondContact O-N 3.05Å; E13-T17 VanDerWaalsContact O-CB 3.32Å; E13-T17 WeakPolarHBondContact O-CB 3.47Å; E13-T17 PolarHBondContact O-N 2.73Å; E13-T17 PolarHBondContact O-OG1 3.23Å
14L93Very high82.5Confident43 Ų4382.8 Ų82.823%0.22543%0.434CS..Hα-helixtrans-66.2-43.1175.4-70.8171.3000111.7N10 D11 T17 A18 P85 L95N10-L14 WeakPolarHBondContact O-CG 3.46Å; N10-L14 PolarHBondContact O-N 2.83Å; D11-L14 WeakPolarHBondContact O-CA 3.46Å; D11-L14 WeakPolarHBondContact O-CB 3.41Å; D11-L14 PolarHBondContact O-N 3.09Å; L14-T17 PolarHBondContact O-N 2.65Å; L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 3.27Å; L14-P85 HydrophobicContact CB-CB 4.28Å; L14-P85 HydrophobicContact CB-CG 4.34Å; L14-L95 HydrophobicContact CD2-CD1 3.9Å
15W95.2Very high85.1Confident124 Ų12476.9 Ų76.947%0.4740%0.397SS..Hα-helixtrans-62.6-45176.2-77.4105.3000111.9D11 D12 A18 S19 Q84 P85D11-W15 PolarHBondContact O-N 3.34Å; D12-W15 PolarHBondContact O-N 3.17Å; W15-A18 PolarHBondContact O-N 2.98Å; W15-S19 PolarHBondContact O-N 2.96Å; W15-Q84 HydrophobicContact CH2-CB 4.1Å; W15-Q84 HydrophobicContact CH2-CG 4.25Å; W15-Q84 HydrophobicContact CZ3-CB 3.75Å; W15-Q84 HydrophobicContact CZ3-CG 3.75Å; W15-P85 HydrophobicContact CD2-CG 3.86Å; W15-P85 VanDerWaalsContact CE3-CD 3.43Å; W15-P85 HydrophobicContact CE3-CG 4.24Å; W15-P85 HydrophobicContact CG-CG 4.17Å; W15-P85 HydrophobicContact CZ2-CG 4.36Å
16K96.2Very high87.3Confident135 Ų13571.8 Ų71.859%0.58737%0.365SS*.Hα-helixtrans-60.4-47.4175-176.7179.7175.8-176.40111.4D12 A18 S19 E20D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 PolarHBondContact O-N 2.95Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 2.87Å; K16-S19 PolarHBondContact O-N 2.62Å; K16-E20 WeakPolarHBondContact CE-OE1 3.48Å; K16-E20 WeakPolarHBondContact O-CG 3.29Å; K16-E20 PolarHBondContact O-N 3.36Å
17T95.6Very high89.6Confident56 Ų5666.7 Ų66.734%0.34435%0.353SS..Hα-helixtrans-58.7-43.4177.5-60.80000111.2E13 L14 A21 L95 W128E13-T17 VanDerWaalsContact O-CB 3.32Å; E13-T17 WeakPolarHBondContact O-CB 3.47Å; E13-T17 PolarHBondContact O-N 2.73Å; E13-T17 PolarHBondContact O-OG1 3.23Å; L14-T17 PolarHBondContact O-N 2.65Å; T17-A21 WeakPolarHBondContact O-CB 3.47Å; T17-A21 PolarHBondContact O-N 2.88Å; T17-L95 HydrophobicContact CG2-CD2 4.03Å; T17-W128 HydrophobicContact CG2-CZ2 4.07Å
18A96.9Very high91.7Very high1 Ų167.5 Ų67.51%0.00835%0.354CS..Hα-helixtrans-61.7-47.1177.600000112.4L14 W15 K16 A21 G22 C83 P85 V97L14-A18 WeakPolarHBondContact O-CB 3.32Å; L14-A18 PolarHBondContact O-N 3.27Å; W15-A18 PolarHBondContact O-N 2.98Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 2.87Å; A18-A21 PolarHBondContact O-N 3.33Å; A18-G22 PolarHBondContact O-N 3.33Å; A18-C83 VanDerWaalsContact O-CB 3.24Å; A18-C83 WeakPolarHBondContact O-CB 3.27Å; A18-P85 HydrophobicContact CB-CB 4.34Å; A18-V97 HydrophobicContact CB-CG1 3.85Å; A18-V97 HydrophobicContact CB-CG2 4.01Å
19S97.3Very high93.8Very high44 Ų4464 Ų6431%0.30833%0.332SS..Hα-helixtrans-59.6-52.7177.2-151.10000111.5W15 K16 A21 G22 E23W15-S19 PolarHBondContact O-N 2.96Å; K16-S19 PolarHBondContact O-N 2.62Å; S19-A21 VanDerWaalsContact C-N 3.33Å; S19-A21 PolarHBondContact O-N 3.44Å; S19-G22 PolarHBondContact O-N 2.83Å; S19-E23 WeakPolarHBondContact O-CB 3.3Å; S19-E23 VanDerWaalsContact O-CG 3.28Å; S19-E23 WeakPolarHBondContact O-CG 3.35Å; S19-E23 PolarHBondContact O-N 3.34Å; S19-E23 PolarHBondContact OG-OE1 3.27Å
20E97.5Very high95.1Very high79 Ų7960 Ų6037%0.36930%0.303SS..Hα-helixtrans-63.2-39.8-178.7-70.3-172.6-160.600112.5K16 K24K16-E20 WeakPolarHBondContact CE-OE1 3.48Å; K16-E20 WeakPolarHBondContact O-CG 3.29Å; K16-E20 PolarHBondContact O-N 3.36Å; E20-K24 VanDerWaalsContact O-CB 3.32Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 WeakPolarHBondContact O-CD 3.44Å; E20-K24 VanDerWaalsContact O-CG 3.23Å; E20-K24 WeakPolarHBondContact O-CG 3.44Å; E20-K24 PolarHBondContact O-N 2.92Å; E20-K24 IonicContact OE2-NZ 2.66Å; E20-K24 PolarHBondContact OE2-NZ 2.63Å
21A97.1Very high96.1Very high5 Ų564.6 Ų64.64%0.04131%0.314CS..Hα-helixtrans-63.6-51.7178.300000111.2T17 A18 S19 F25 W128T17-A21 WeakPolarHBondContact O-CB 3.47Å; T17-A21 PolarHBondContact O-N 2.88Å; A18-A21 PolarHBondContact O-N 3.33Å; S19-A21 VanDerWaalsContact C-N 3.33Å; S19-A21 PolarHBondContact O-N 3.44Å; A21-F25 WeakPolarHBondContact O-CB 3.29Å; A21-F25 PolarHBondContact O-N 3.08Å; A21-W128 HydrophobicContact CB-CD2 3.88Å; A21-W128 HydrophobicContact CB-CG 4.26Å; A21-W128 HydrophobicContact CB-CH2 4.2Å; A21-W128 HydrophobicContact CB-CZ2 3.55Å
22G97.9Very high96.7Very high0 Ų062 Ų620%030%0.301CS..Hα-helixtrans-69.6-39.8-176.300000113.2A18 S19 F25 S26 C83A18-G22 PolarHBondContact O-N 3.33Å; S19-G22 PolarHBondContact O-N 2.83Å; G22-F25 PolarHBondContact O-N 3.23Å; G22-S26 VanDerWaalsContact O-CB 3.3Å; G22-S26 WeakPolarHBondContact O-CB 3.31Å; G22-S26 PolarHBondContact O-N 2.79Å; G22-S26 PolarHBondContact O-OG 3.27Å; G22-S26 VanDerWaalsContact O-OG 3.14Å; G22-C83 VanDerWaalsContact CA-SG 3.52Å
23E98Very high97.1Very high105 Ų10557.7 Ų57.749%0.49128%0.277SS..Hα-helixtrans-60.8-51.2175.6-74169-144.400111.9S19 A27 L81S19-E23 WeakPolarHBondContact O-CB 3.3Å; S19-E23 VanDerWaalsContact O-CG 3.28Å; S19-E23 WeakPolarHBondContact O-CG 3.35Å; S19-E23 PolarHBondContact O-N 3.34Å; S19-E23 PolarHBondContact OG-OE1 3.27Å; E23-A27 WeakPolarHBondContact O-CB 3.38Å; E23-A27 PolarHBondContact O-N 3.02Å; E23-L81 HydrophobicContact CG-CD2 3.77Å
24K97.8Very high97.4Very high126 Ų12654 Ų5455%0.54826%0.262SS..Hα-helixtrans-64.3-44.1178.7-69.3170.2-173.5160.60111E20 L28E20-K24 VanDerWaalsContact O-CB 3.32Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 WeakPolarHBondContact O-CD 3.44Å; E20-K24 VanDerWaalsContact O-CG 3.23Å; E20-K24 WeakPolarHBondContact O-CG 3.44Å; E20-K24 PolarHBondContact O-N 2.92Å; E20-K24 IonicContact OE2-NZ 2.66Å; E20-K24 PolarHBondContact OE2-NZ 2.63Å; K24-L28 WeakPolarHBondContact O-CG 3.49Å; K24-L28 PolarHBondContact O-N 3.37Å
25F98.3Very high97.6Very high11 Ų1155.8 Ų55.85%0.04827%0.267CS..Hα-helixtrans-58.8-54.2178174.2-86.3000110.8A21 G22 A27 L28 Y29 F44 F119 L121 W128 V130A21-F25 WeakPolarHBondContact O-CB 3.29Å; A21-F25 PolarHBondContact O-N 3.08Å; G22-F25 PolarHBondContact O-N 3.23Å; F25-A27 PolarHBondContact O-N 3.2Å; F25-L28 PolarHBondContact O-N 3.43Å; F25-Y29 HydrophobicContact CE1-CD2 4.35Å; F25-Y29 HydrophobicContact CE1-CG 4.01Å; F25-Y29 HydrophobicContact CZ-CD2 4.09Å; F25-Y29 HydrophobicContact CZ-CG 4.19Å; F25-Y29 VanDerWaalsContact O-CB 3.25Å; F25-Y29 WeakPolarHBondContact O-CB 3.36Å; F25-Y29 PolarHBondContact O-N 2.8Å; F25-F44 HydrophobicContact CD2-CD1 4.19Å; F25-F44 HydrophobicContact CE2-CB 4.21Å; F25-F44 AromaticContact CE2-CD1 3.6Å; F25-F44 HydrophobicContact CE2-CD1 3.6Å; F25-F44 HydrophobicContact CE2-CG 4.4Å; F25-F44 HydrophobicContact CZ-CB 4.34Å; F25-F44 AromaticContact CZ-CD1 3.95Å; F25-F44 HydrophobicContact CZ-CD1 3.95Å; F25-F119 HydrophobicContact CE1-CD1 4.13Å; F25-F119 HydrophobicContact CE1-CE1 4.26Å; F25-F119 HydrophobicContact CE1-CG 4.25Å; F25-L121 HydrophobicContact CB-CD1 3.71Å; F25-L121 HydrophobicContact CD1-CD1 3.78Å; F25-L121 HydrophobicContact CD1-CD2 3.82Å; F25-L121 HydrophobicContact CD1-CG 4.42Å; F25-L121 HydrophobicContact CD2-CD1 4.02Å; F25-L121 HydrophobicContact CD2-CD2 3.88Å; F25-L121 HydrophobicContact CE1-CD2 3.72Å; F25-L121 HydrophobicContact CE2-CD2 3.72Å; F25-L121 HydrophobicContact CG-CD1 3.53Å; F25-L121 HydrophobicContact CG-CD2 3.95Å; F25-L121 HydrophobicContact CG-CG 4.41Å; F25-L121 HydrophobicContact CZ-CD2 3.7Å; F25-W128 HydrophobicContact CD2-CB 4.31Å; F25-V130 HydrophobicContact CE1-CG2 4.02Å; F25-V130 HydrophobicContact CE2-CG2 3.84Å; F25-V130 HydrophobicContact CZ-CG2 3.23Å
26S98.3Very high97.6Very high0 Ų053.7 Ų53.70%027%0.27CS..Hα-helixtrans-62.4-43.3-176.6-68.90000111.6G22 L28 Y29 Y30 L81G22-S26 VanDerWaalsContact O-CB 3.3Å; G22-S26 WeakPolarHBondContact O-CB 3.31Å; G22-S26 PolarHBondContact O-N 2.79Å; G22-S26 PolarHBondContact O-OG 3.27Å; G22-S26 VanDerWaalsContact O-OG 3.14Å; S26-L28 VanDerWaalsContact C-N 3.29Å; S26-L28 PolarHBondContact O-N 2.79Å; S26-Y29 PolarHBondContact O-N 2.84Å; S26-Y30 WeakPolarHBondContact O-CD2 3.27Å; S26-Y30 PolarHBondContact O-N 3.44Å; S26-L81 VanDerWaalsContact OG-CD1 3.29Å; S26-L81 WeakPolarHBondContact OG-CD1 3.45Å
27A97.9Very high97.3Very high65 Ų6554.1 Ų54.154%0.53728%0.279SS..Hα-helixtrans-56.8-42.917700000112.6E23 F25 R31E23-A27 WeakPolarHBondContact O-CB 3.38Å; E23-A27 PolarHBondContact O-N 3.02Å; F25-A27 PolarHBondContact O-N 3.2Å; A27-R31 VanDerWaalsContact O-CB 3.3Å; A27-R31 WeakPolarHBondContact O-CB 3.41Å; A27-R31 PolarHBondContact O-N 3.26Å
28L98.2Very high97.4Very high104 Ų10452 Ų5255%0.54526%0.264SS..Hα-helixtrans-73.8-41.6177.9-67.1175000112.3K24 F25 S26 R31 A32 F44K24-L28 WeakPolarHBondContact O-CG 3.49Å; K24-L28 PolarHBondContact O-N 3.37Å; F25-L28 PolarHBondContact O-N 3.43Å; S26-L28 VanDerWaalsContact C-N 3.29Å; S26-L28 PolarHBondContact O-N 2.79Å; L28-R31 PolarHBondContact O-N 2.8Å; L28-A32 WeakPolarHBondContact O-CB 3.21Å; L28-A32 PolarHBondContact O-N 3.31Å; L28-F44 HydrophobicContact CB-CE1 3.87Å; L28-F44 HydrophobicContact CB-CZ 4.01Å
29Y98.7Very high97.4Very high0 Ų056 Ų560%029%0.29CS..Hα-helixtrans-61.6-54.7-178.5171.5-99.4000111.6F25 S26 R31 A32 F33 L41 F44 F45 E117 F119F25-Y29 HydrophobicContact CE1-CD2 4.35Å; F25-Y29 HydrophobicContact CE1-CG 4.01Å; F25-Y29 HydrophobicContact CZ-CD2 4.09Å; F25-Y29 HydrophobicContact CZ-CG 4.19Å; F25-Y29 VanDerWaalsContact O-CB 3.25Å; F25-Y29 WeakPolarHBondContact O-CB 3.36Å; F25-Y29 PolarHBondContact O-N 2.8Å; S26-Y29 PolarHBondContact O-N 2.84Å; Y29-R31 VanDerWaalsContact C-N 3.29Å; Y29-R31 PolarHBondContact O-N 2.88Å; Y29-A32 CarbonylContact O-C 3.58Å; Y29-A32 WeakPolarHBondContact O-CA 3.47Å; Y29-A32 WeakPolarHBondContact O-CB 3.3Å; Y29-A32 PolarHBondContact O-N 2.93Å; Y29-F33 WeakPolarHBondContact O-CB 3.42Å; Y29-F33 PolarHBondContact O-N 3.21Å; Y29-L41 HydrophobicContact CD2-CD2 4Å; Y29-L41 HydrophobicContact CE2-CD2 3.68Å; Y29-F44 VanDerWaalsContact CA-CE1 3.5Å; Y29-F44 HydrophobicContact CD2-CB 4.22Å; Y29-F44 HydrophobicContact CD2-CD1 4.1Å; Y29-F44 HydrophobicContact CD2-CG 4.08Å; Y29-F45 HydrophobicContact CE2-CE2 4.18Å; Y29-F45 AromaticContact CE2-CZ 3.65Å; Y29-F45 HydrophobicContact CE2-CZ 3.65Å; Y29-E117 PolarHBondContact OH-OE1 3.49Å; Y29-F119 HydrophobicContact CD1-CE1 4.22Å; Y29-F119 AromaticContact CD1-CZ 3.75Å; Y29-F119 HydrophobicContact CD1-CZ 3.75Å; Y29-F119 AromaticContact CE1-CE1 3.78Å; Y29-F119 HydrophobicContact CE1-CE1 3.78Å; Y29-F119 AromaticContact CE1-CZ 3.42Å; Y29-F119 HydrophobicContact CE1-CZ 3.42Å; Y29-F119 VanDerWaalsContact CE1-CZ 3.42Å; Y29-F119 HydrophobicContact CE2-CE1 4.33Å; Y29-F119 AromaticContact CZ-CE1 3.81Å; Y29-F119 AromaticContact CZ-CZ 3.96Å
30Y98.5Very high97.3Very high8 Ų857.4 Ų57.43%0.03130%0.295CS..Hα-helixtrans-66.7-34.4-178.1-70.6-73.9000111.8S26 A32 F33 D34 C76 L78 V101 F115 E117 F119S26-Y30 WeakPolarHBondContact O-CD2 3.27Å; S26-Y30 PolarHBondContact O-N 3.44Å; Y30-A32 VanDerWaalsContact C-N 3.31Å; Y30-A32 PolarHBondContact O-N 2.97Å; Y30-F33 PolarHBondContact O-N 3.2Å; Y30-D34 WeakPolarHBondContact O-CB 3.35Å; Y30-D34 PolarHBondContact O-N 2.84Å; Y30-C76 HydrophobicContact CD1-CB 3.83Å; Y30-C76 HydrophobicContact CG-CB 4.42Å; Y30-L78 HydrophobicContact CD1-CD1 4.29Å; Y30-L78 HydrophobicContact CD2-CD1 3.62Å; Y30-L78 HydrophobicContact CD2-CD2 3.66Å; Y30-L78 HydrophobicContact CD2-CG 4.03Å; Y30-L78 HydrophobicContact CE2-CD1 4.09Å; Y30-L78 HydrophobicContact CE2-CD2 3.72Å; Y30-L78 HydrophobicContact CE2-CG 4.06Å; Y30-L78 HydrophobicContact CG-CD1 3.74Å; Y30-V101 HydrophobicContact CE2-CB 4.48Å; Y30-V101 HydrophobicContact CE2-CG1 3.96Å; Y30-V101 HydrophobicContact CE2-CG2 4.15Å; Y30-V101 WeakPolarHBondContact OH-CB 3.4Å; Y30-V101 VanDerWaalsContact OH-CG1 3.29Å; Y30-V101 WeakPolarHBondContact OH-CG1 3.47Å; Y30-F115 HydrophobicContact CE1-CE2 4.01Å; Y30-F115 AromaticContact CE1-CZ 3.76Å; Y30-F115 HydrophobicContact CE1-CZ 3.76Å; Y30-E117 WeakPolarHBondContact CE1-OE2 3.45Å; Y30-E117 PolarHBondContact OH-OE2 2.93Å; Y30-F119 HydrophobicContact CE2-CE2 4.45Å
31R98.2Very high97.3Very high178 Ų17853.7 Ų53.767%0.67228%0.277SS*.Hα-helixtrans-61.2-39.6170.6-177179.8179-1770.3112.1A27 L28 Y29 K35A27-R31 VanDerWaalsContact O-CB 3.3Å; A27-R31 WeakPolarHBondContact O-CB 3.41Å; A27-R31 PolarHBondContact O-N 3.26Å; L28-R31 PolarHBondContact O-N 2.8Å; Y29-R31 VanDerWaalsContact C-N 3.29Å; Y29-R31 PolarHBondContact O-N 2.88Å; R31-K35 WeakPolarHBondContact O-CG 3.35Å
32A98.2Very high97.3Very high3 Ų355.7 Ų55.73%0.02529%0.29CS..Hα-helixtrans-71.8-36.917600000112.2L28 Y29 Y30 K35 D40 L41 F44L28-A32 WeakPolarHBondContact O-CB 3.21Å; L28-A32 PolarHBondContact O-N 3.31Å; Y29-A32 CarbonylContact O-C 3.58Å; Y29-A32 WeakPolarHBondContact O-CA 3.47Å; Y29-A32 WeakPolarHBondContact O-CB 3.3Å; Y29-A32 PolarHBondContact O-N 2.93Å; Y30-A32 VanDerWaalsContact C-N 3.31Å; Y30-A32 PolarHBondContact O-N 2.97Å; A32-K35 PolarHBondContact O-N 3.08Å; A32-D40 HydrophobicContact CB-CB 4Å; A32-L41 HydrophobicContact CB-CD2 4.42Å; A32-F44 HydrophobicContact CB-CD2 4.48Å; A32-F44 HydrophobicContact CB-CE2 3.54Å; A32-F44 HydrophobicContact CB-CZ 3.87Å
33F98.4Very high97.2Very high5 Ų557.9 Ų57.92%0.02231%0.312CS..Hα-helixtrans-66.7-35.6179.7-167.4-88.6000112.7Y29 Y30 K35 R38 L41 W53 F68 L71 S74 I105Y29-F33 WeakPolarHBondContact O-CB 3.42Å; Y29-F33 PolarHBondContact O-N 3.21Å; Y30-F33 PolarHBondContact O-N 3.2Å; F33-K35 VanDerWaalsContact C-N 3.35Å; F33-R38 WeakPolarHBondContact O-CG 3.45Å; F33-R38 PolarHBondContact O-NE 3Å; F33-L41 HydrophobicContact CB-CD2 4.26Å; F33-L41 HydrophobicContact CD2-CD1 3.8Å; F33-L41 HydrophobicContact CD2-CD2 4.11Å; F33-L41 HydrophobicContact CE2-CD1 4.31Å; F33-W53 HydrophobicContact CZ-CH2 4.43Å; F33-F68 AromaticContact CE2-CD1 3.77Å; F33-F68 HydrophobicContact CE2-CD1 3.77Å; F33-F68 HydrophobicContact CE2-CD2 4.41Å; F33-F68 AromaticContact CE2-CE1 3.95Å; F33-F68 HydrophobicContact CE2-CE1 3.95Å; F33-F68 HydrophobicContact CE2-CG 4.02Å; F33-F68 HydrophobicContact CE2-CZ 4.32Å; F33-F68 HydrophobicContact CZ-CD1 4.29Å; F33-L71 HydrophobicContact CZ-CD1 4Å; F33-S74 VanDerWaalsContact CD1-OG 3.29Å; F33-S74 WeakPolarHBondContact CD1-OG 3.4Å; F33-S74 WeakPolarHBondContact CE1-OG 3.17Å; F33-I105 HydrophobicContact CE1-CD1 4.2Å
34D98.2Very high97.2Very high42 Ų4254.3 Ų54.323%0.22530%0.295CS..THydrogen-bonded Turntrans-84.5-3.9178.5-71.7-17.8000113.7Y30 S74 C76Y30-D34 WeakPolarHBondContact O-CB 3.35Å; Y30-D34 PolarHBondContact O-N 2.84Å; D34-S74 WeakPolarHBondContact CB-O 3.36Å; D34-S74 VanDerWaalsContact OD1-C 3.27Å; D34-S74 PolarHBondContact OD1-OG 3.47Å; D34-C76 PolarHBondContact OD1-N 2.98Å; D34-C76 PolarHBondContact OD1-SG 3.28Å; D34-C76 PolarHBondContact OD2-N 2.97Å
35K97.5Very high97.3Very high80 Ų8048.3 Ų48.335%0.34827%0.269SS..SBendtrans-72.8139172.6-78.3177.1-174.6-178.50110.3R31 A32 F33 N37 R38 D40R31-K35 WeakPolarHBondContact O-CG 3.35Å; A32-K35 PolarHBondContact O-N 3.08Å; F33-K35 VanDerWaalsContact C-N 3.35Å; K35-N37 PolarHBondContact O-N 3.49Å; K35-R38 WeakPolarHBondContact O-CA 3.33Å; K35-R38 WeakPolarHBondContact O-CG 3.38Å; K35-R38 PolarHBondContact O-N 3.24Å; K35-D40 IonicContact NZ-OD2 3.37Å; K35-D40 PolarHBondContact NZ-OD2 2.66Å
36P94.3Very high97.3Very high80 Ų8048.6 Ų48.652%0.51927%0.271SS..THydrogen-bonded Turntrans-53.2135.8171-26.634.7000111.6R38 P39P36-R38 PolarHBondContact O-N 2.98Å; P36-P39 WeakPolarHBondContact O-CD 3.47Å
37N91.5Very high97.2Very high145 Ų14554 Ų5478%0.77530%0.3SS*.THydrogen-bonded Turntrans61.4-1.4-175.1-50-64.6000116K35K35-N37 PolarHBondContact O-N 3.49Å
38R96.4Very high97.2Very high10 Ų1055.6 Ų55.64%0.03830%0.299CS..  trans48.846.5172.1-47.7-177.916596.94.3115.2F33 K35 P36 D40 L41 F68 L71 P72F33-R38 WeakPolarHBondContact O-CG 3.45Å; F33-R38 PolarHBondContact O-NE 3Å; K35-R38 WeakPolarHBondContact O-CA 3.33Å; K35-R38 WeakPolarHBondContact O-CG 3.38Å; K35-R38 PolarHBondContact O-N 3.24Å; P36-R38 PolarHBondContact O-N 2.98Å; R38-D40 VanDerWaalsContact C-N 3.27Å; R38-D40 PolarHBondContact O-N 2.86Å; R38-L41 HydrophobicContact CB-CB 4.49Å; R38-L41 HydrophobicContact CB-CD1 3.63Å; R38-L41 HydrophobicContact CB-CG 3.92Å; R38-L41 HydrophobicContact CG-CD1 4.17Å; R38-L41 PolarHBondContact O-N 3.2Å; R38-F68 PolarHBondContact NH1-O 2.87Å; R38-L71 PolarHBondContact NH1-O 2.88Å; R38-P72 PolarHBondContact NH2-O 2.91Å
39P96.4Very high97.2Very high85 Ų8550.6 Ų50.655%0.55227%0.273SS*.THydrogen-bonded Turntrans-64.9-26.8-167.227.3-37000114.4P36 P42P36-P39 WeakPolarHBondContact O-CD 3.47Å; P39-P42 WeakPolarHBondContact O-CD 3.24Å
40D96.9Very high97.2Very high75 Ų7552.2 Ų52.240%0.40128%0.283SS..THydrogen-bonded Turntrans-87.5-12.9-175.5-56.7-42.3000112.8A32 K35 R38 G43 F44A32-D40 HydrophobicContact CB-CB 4Å; K35-D40 IonicContact NZ-OD2 3.37Å; K35-D40 PolarHBondContact NZ-OD2 2.66Å; R38-D40 VanDerWaalsContact C-N 3.27Å; R38-D40 PolarHBondContact O-N 2.86Å; D40-G43 PolarHBondContact O-N 3.39Å; D40-F44 HydrophobicContact CB-CE2 4.38Å; D40-F44 WeakPolarHBondContact O-CD2 3.17Å; D40-F44 WeakPolarHBondContact O-CE2 3.49Å
41L97Very high97.2Very high1 Ų151.9 Ų51.91%0.00528%0.281CS..G310 helixtrans-55.3-39.3-174.9-84.3-172.8000115Y29 A32 F33 R38 G43 F44 F45 I65 F68Y29-L41 HydrophobicContact CD2-CD2 4Å; Y29-L41 HydrophobicContact CE2-CD2 3.68Å; A32-L41 HydrophobicContact CB-CD2 4.42Å; F33-L41 HydrophobicContact CB-CD2 4.26Å; F33-L41 HydrophobicContact CD2-CD1 3.8Å; F33-L41 HydrophobicContact CD2-CD2 4.11Å; F33-L41 HydrophobicContact CE2-CD1 4.31Å; R38-L41 HydrophobicContact CB-CB 4.49Å; R38-L41 HydrophobicContact CB-CD1 3.63Å; R38-L41 HydrophobicContact CB-CG 3.92Å; R38-L41 HydrophobicContact CG-CD1 4.17Å; R38-L41 PolarHBondContact O-N 3.2Å; L41-G43 PolarHBondContact O-N 3.07Å; L41-G43 VanDerWaalsContact O-N 3.08Å; L41-F44 HydrophobicContact CD2-CD2 4.49Å; L41-F44 PolarHBondContact O-N 3.49Å; L41-F45 HydrophobicContact CB-CE2 4.43Å; L41-F45 HydrophobicContact CD2-CE2 4.27Å; L41-F45 WeakPolarHBondContact O-CD2 3.19Å; L41-F45 WeakPolarHBondContact O-CE2 3.31Å; L41-I65 HydrophobicContact CB-CD1 3.66Å; L41-F68 HydrophobicContact CD1-CB 3.99Å; L41-F68 HydrophobicContact CD1-CD2 3.88Å; L41-F68 HydrophobicContact CD1-CG 4.21Å
42P97Very high97.3Very high46 Ų4645.8 Ų45.830%0.29926%0.262SS..G310 helixtrans-51.9-35.8-179.8-27.934.7000113.9P39 F44 F45 Q61 I65P39-P42 WeakPolarHBondContact O-CD 3.24Å; P42-F44 PolarHBondContact O-N 2.9Å; P42-F45 PolarHBondContact O-N 3.18Å; P42-Q61 PolarHBondContact O-NE2 3.14Å; P42-I65 HydrophobicContact CB-CD1 4.42Å; P42-I65 HydrophobicContact CB-CG1 4.26Å; P42-I65 HydrophobicContact CG-CD1 4.1Å; P42-I65 HydrophobicContact CG-CG1 4.01Å; P42-I65 HydrophobicContact CG-CG2 4.01Å
43G96.5Very high97.3Very high46 Ų4646.7 Ų46.747%0.47427%0.265SS..G310 helixtrans-68.2-13.5-177.200000115.3D40 L41D40-G43 PolarHBondContact O-N 3.39Å; L41-G43 PolarHBondContact O-N 3.07Å; L41-G43 VanDerWaalsContact O-N 3.08Å
44F98.1Very high97.2Very high31 Ų3149 Ų4914%0.13628%0.277CS..G310 helixtrans-88.6-10.5-178.4-68.7-93.2000113.6F25 L28 Y29 A32 D40 L41 P42 R129 V130F25-F44 HydrophobicContact CD2-CD1 4.19Å; F25-F44 HydrophobicContact CE2-CB 4.21Å; F25-F44 AromaticContact CE2-CD1 3.6Å; F25-F44 HydrophobicContact CE2-CD1 3.6Å; F25-F44 HydrophobicContact CE2-CG 4.4Å; F25-F44 HydrophobicContact CZ-CB 4.34Å; F25-F44 AromaticContact CZ-CD1 3.95Å; F25-F44 HydrophobicContact CZ-CD1 3.95Å; L28-F44 HydrophobicContact CB-CE1 3.87Å; L28-F44 HydrophobicContact CB-CZ 4.01Å; Y29-F44 VanDerWaalsContact CA-CE1 3.5Å; Y29-F44 HydrophobicContact CD2-CB 4.22Å; Y29-F44 HydrophobicContact CD2-CD1 4.1Å; Y29-F44 HydrophobicContact CD2-CG 4.08Å; A32-F44 HydrophobicContact CB-CD2 4.48Å; A32-F44 HydrophobicContact CB-CE2 3.54Å; A32-F44 HydrophobicContact CB-CZ 3.87Å; D40-F44 HydrophobicContact CB-CE2 4.38Å; D40-F44 WeakPolarHBondContact O-CD2 3.17Å; D40-F44 WeakPolarHBondContact O-CE2 3.49Å; L41-F44 HydrophobicContact CD2-CD2 4.49Å; L41-F44 PolarHBondContact O-N 3.49Å; P42-F44 PolarHBondContact O-N 2.9Å; F44-R129 CarbonylContact O-C 3.5Å; F44-R129 VanDerWaalsContact O-CA 3.29Å; F44-R129 WeakPolarHBondContact O-CA 3.5Å; F44-V130 PolarHBondContact O-N 2.82Å
45F98.4Very high97.2Very high0 Ų049.1 Ų49.10%029%0.288CS..EExtended strand (participates in β ladder)trans-118.9141.2-167.4-64.9-75.3000112.3Y29 L41 P42 V49 Q61 V64 I65 F68 V130 V133Y29-F45 HydrophobicContact CE2-CE2 4.18Å; Y29-F45 AromaticContact CE2-CZ 3.65Å; Y29-F45 HydrophobicContact CE2-CZ 3.65Å; L41-F45 HydrophobicContact CB-CE2 4.43Å; L41-F45 HydrophobicContact CD2-CE2 4.27Å; L41-F45 WeakPolarHBondContact O-CD2 3.19Å; L41-F45 WeakPolarHBondContact O-CE2 3.31Å; P42-F45 PolarHBondContact O-N 3.18Å; F45-V49 HydrophobicContact CB-CB 4.23Å; F45-V49 HydrophobicContact CB-CG1 3.98Å; F45-V49 HydrophobicContact CD1-CB 4.24Å; F45-V49 HydrophobicContact CD1-CG1 4.27Å; F45-V49 HydrophobicContact CD1-CG2 3.71Å; F45-V49 HydrophobicContact CE1-CG2 4.38Å; F45-V49 HydrophobicContact CG-CG1 4.37Å; F45-Q61 HydrophobicContact CB-CG 4.07Å; F45-Q61 PolarHBondContact O-NE2 2.83Å; F45-V64 HydrophobicContact CE1-CG1 4.44Å; F45-V64 HydrophobicContact CZ-CG1 4.41Å; F45-I65 HydrophobicContact CD2-CD1 3.82Å; F45-I65 HydrophobicContact CE2-CD1 3.97Å; F45-F68 HydrophobicContact CE1-CE2 4.37Å; F45-F68 HydrophobicContact CE2-CD2 4.4Å; F45-F68 HydrophobicContact CE2-CE2 4.01Å; F45-F68 HydrophobicContact CZ-CD2 4.37Å; F45-F68 AromaticContact CZ-CE2 3.57Å; F45-F68 HydrophobicContact CZ-CE2 3.57Å; F45-F68 HydrophobicContact CZ-CZ 4.44Å; F45-V130 HydrophobicContact CD1-CB 3.59Å; F45-V130 HydrophobicContact CD1-CG1 3.92Å; F45-V130 HydrophobicContact CD1-CG2 4.1Å; F45-V130 HydrophobicContact CE1-CB 3.93Å; F45-V130 HydrophobicContact CE1-CG1 3.99Å; F45-V130 HydrophobicContact CE1-CG2 4.06Å; F45-V133 HydrophobicContact CE1-CG1 4.21Å
46M97.8Very high97.2Very high17 Ų1750.7 Ų50.78%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-64.5151.6166.4-60.8-66.4-6800110N48 V49 T122 E124 R129 V130 Q131M46-N48 PolarHBondContact O-N 2.89Å; M46-N48 VanDerWaalsContact O-N 3.16Å; M46-V49 WeakPolarHBondContact O-CB 3.4Å; M46-V49 WeakPolarHBondContact O-CG1 3.25Å; M46-V49 PolarHBondContact O-N 3.42Å; M46-T122 HydrophobicContact CE-CG2 4.32Å; M46-T122 HydrophobicContact CG-CG2 4.36Å; M46-T122 HydrophobicContact SD-CG2 3.97Å; M46-E124 HydrophobicContact CE-CB 3.99Å; M46-E124 HydrophobicContact CE-CG 4.18Å; M46-E124 WeakPolarHBondContact CE-OE1 3.38Å; M46-E124 HydrophobicContact SD-CB 3.63Å; M46-E124 HydrophobicContact SD-CG 4.25Å; M46-R129 HydrophobicContact CG-CB 3.93Å; M46-R129 HydrophobicContact SD-CB 3.57Å; M46-R129 VanDerWaalsContact SD-CB 3.57Å; M46-R129 HydrophobicContact SD-CG 4.33Å; M46-V130 WeakPolarHBondContact CG-O 3.28Å; M46-V130 PolarHBondContact N-O 3.24Å; M46-Q131 HydrophobicContact CG-CB 4.45Å
47D97.5Very high97.4Very high113 Ų11353.8 Ų53.860%0.60430%0.302SS*.EExtended strand (participates in β ladder)trans-56.2-35.4178.3-74.2-7.8000112.4G60 Q61D47-G60 WeakPolarHBondContact O-CA 3.4Å; D47-Q61 PolarHBondContact O-N 3.3Å; D47-Q61 PolarHBondContact OD1-NE2 3.03Å
48N97.3Very high97.7Very high98 Ų9848.2 Ų48.252%0.52427%0.273SS..EExtended strand (participates in β ladder)trans-99.328178.570.3-16.1000113.8M46 Q131M46-N48 PolarHBondContact O-N 2.89Å; M46-N48 VanDerWaalsContact O-N 3.16Å; N48-Q131 PolarHBondContact OD1-NE2 2.85Å
49V98.6Very high97.8Very high0 Ų052.3 Ų52.30%029%0.293CS..EExtended strand (participates in β ladder)trans-54.8142.5176.859.40000111.9F45 M46 G60 Q61 V64 V130 Q131 V133F45-V49 HydrophobicContact CB-CB 4.23Å; F45-V49 HydrophobicContact CB-CG1 3.98Å; F45-V49 HydrophobicContact CD1-CB 4.24Å; F45-V49 HydrophobicContact CD1-CG1 4.27Å; F45-V49 HydrophobicContact CD1-CG2 3.71Å; F45-V49 HydrophobicContact CE1-CG2 4.38Å; F45-V49 HydrophobicContact CG-CG1 4.37Å; M46-V49 WeakPolarHBondContact O-CB 3.4Å; M46-V49 WeakPolarHBondContact O-CG1 3.25Å; M46-V49 PolarHBondContact O-N 3.42Å; V49-G60 PolarHBondContact O-N 2.83Å; V49-Q61 HydrophobicContact CG1-CB 4.27Å; V49-V64 HydrophobicContact CG1-CB 4.16Å; V49-V64 HydrophobicContact CG1-CG2 3.86Å; V49-V130 HydrophobicContact CG2-CG1 4.07Å; V49-Q131 WeakPolarHBondContact CA-O 3.38Å; V49-V133 HydrophobicContact CG2-CG1 4.48Å
50V98.7Very high97.9Very high34 Ų3449.3 Ų49.321%0.20628%0.277CS..EExtended strand (participates in β ladder)trans-110.6122.1166.4-177.90000109.8R57 E59 Q131 S132 V133V50-R57 HydrophobicContact CG1-CG 4.2Å; V50-E59 HydrophobicContact CG1-CG 4.39Å; V50-E59 HydrophobicContact CG2-CG 4.23Å; V50-Q131 PolarHBondContact N-O 3Å; V50-S132 CarbonylContact O-C 3.58Å; V50-S132 VanDerWaalsContact O-CA 3.23Å; V50-S132 WeakPolarHBondContact O-CA 3.45Å; V50-V133 PolarHBondContact O-N 2.84Å
51L98.8Very high98Very high0 Ų047.8 Ų47.80%027%0.268CS..EExtended strand (participates in β ladder)trans-102132.7169.8168.465.2000109.8W53 R57 V58 V64 F67 F68 V133L51-W53 HydrophobicContact CD1-CB 4.29Å; L51-W53 HydrophobicContact CD1-CE3 4.32Å; L51-W53 HydrophobicContact CD2-CB 4.27Å; L51-W53 HydrophobicContact CG-CB 4.2Å; L51-R57 CarbonylContact O-C 3.56Å; L51-R57 WeakPolarHBondContact O-CA 3.32Å; L51-V58 HydrophobicContact CB-CB 4.3Å; L51-V58 HydrophobicContact CD2-CB 4.43Å; L51-V58 PolarHBondContact N-O 3.16Å; L51-V58 PolarHBondContact O-N 2.88Å; L51-V64 HydrophobicContact CB-CG1 4.36Å; L51-V64 HydrophobicContact CB-CG2 3.71Å; L51-V64 HydrophobicContact CD2-CG1 4.2Å; L51-V64 HydrophobicContact CD2-CG2 4.45Å; L51-F67 HydrophobicContact CD2-CD1 3.66Å; L51-F67 HydrophobicContact CD2-CE1 3.96Å; L51-F68 HydrophobicContact CD1-CE1 4.47Å; L51-F68 HydrophobicContact CD1-CZ 4.09Å; L51-F68 HydrophobicContact CD2-CE1 3.7Å; L51-F68 HydrophobicContact CD2-CE2 4.43Å; L51-F68 HydrophobicContact CD2-CZ 3.66Å; L51-F68 HydrophobicContact CG-CZ 4.48Å; L51-V133 CarbonylContact C-O 3.53Å; L51-V133 WeakPolarHBondContact CA-O 3.43Å; L51-V133 HydrophobicContact CB-CG1 4.1Å; L51-V133 HydrophobicContact CD1-CG1 3.64Å; L51-V133 HydrophobicContact CD1-CG2 4.48Å; L51-V133 HydrophobicContact CG-CG1 4.48Å
52L98.7Very high98Very high51 Ų5156.3 Ų56.327%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-114.7100.4165-170.370000109G55 N56 R57 V133 T134 F135L52-G55 VanDerWaalsContact CD1-C 3.47Å; L52-G55 WeakPolarHBondContact CD1-O 3.3Å; L52-N56 CarbonylContact C-O 3.51Å; L52-N56 WeakPolarHBondContact CA-O 3.23Å; L52-R57 HydrophobicContact CD1-CB 4.16Å; L52-V133 PolarHBondContact N-O 3.07Å; L52-T134 HydrophobicContact CB-CG2 4.2Å; L52-T134 HydrophobicContact CD2-CG2 3.96Å; L52-T134 HydrophobicContact CG-CG2 4.39Å; L52-T134 CarbonylContact O-C 3.55Å; L52-T134 WeakPolarHBondContact O-CA 3.35Å; L52-F135 PolarHBondContact O-N 3.46Å
53W98.5Very high98.1Very high21 Ų2159 Ų598%0.0832%0.316CS..EExtended strand (participates in β ladder)trans-101.4108.6-178.7-174.9-87.7000110.9F33 L51 G55 N56 F67 F68 L71 F107 F135 F137F33-W53 HydrophobicContact CZ-CH2 4.43Å; L51-W53 HydrophobicContact CD1-CB 4.29Å; L51-W53 HydrophobicContact CD1-CE3 4.32Å; L51-W53 HydrophobicContact CD2-CB 4.27Å; L51-W53 HydrophobicContact CG-CB 4.2Å; W53-G55 PolarHBondContact O-N 2.82Å; W53-G55 VanDerWaalsContact O-N 3.14Å; W53-N56 PolarHBondContact N-O 3.35Å; W53-N56 WeakPolarHBondContact O-CB 3.47Å; W53-N56 PolarHBondContact O-N 2.84Å; W53-N56 PolarHBondContact O-ND2 3.47Å; W53-F67 HydrophobicContact CB-CE1 4.07Å; W53-F67 HydrophobicContact CB-CZ 4.03Å; W53-F67 AromaticContact CD1-CZ 3.59Å; W53-F67 AromaticContact CD2-CE1 3.7Å; W53-F67 HydrophobicContact CD2-CE1 3.7Å; W53-F67 AromaticContact CD2-CZ 3.9Å; W53-F67 HydrophobicContact CD2-CZ 3.9Å; W53-F67 HydrophobicContact CE3-CE1 4.01Å; W53-F67 AromaticContact CG-CE1 3.74Å; W53-F67 HydrophobicContact CG-CE1 3.74Å; W53-F67 AromaticContact CG-CZ 3.57Å; W53-F67 HydrophobicContact CG-CZ 3.57Å; W53-F67 AromaticContact NE1-CZ 3.89Å; W53-F68 AromaticContact CE3-CE1 3.9Å; W53-F68 HydrophobicContact CE3-CE1 3.9Å; W53-F68 AromaticContact CZ3-CE1 3.81Å; W53-F68 HydrophobicContact CZ3-CE1 3.81Å; W53-L71 HydrophobicContact CH2-CD1 3.77Å; W53-L71 HydrophobicContact CZ2-CD1 3.91Å; W53-L71 HydrophobicContact CZ2-CD2 4.46Å; W53-L71 HydrophobicContact CZ3-CD1 4.3Å; W53-F107 HydrophobicContact CH2-CZ 4.22Å; W53-F107 HydrophobicContact CZ2-CZ 4.25Å; W53-F135 HydrophobicContact CD2-CB 4.33Å; W53-F135 AromaticContact CD2-CD1 3.82Å; W53-F135 HydrophobicContact CD2-CD1 3.82Å; W53-F135 HydrophobicContact CD2-CG 4.25Å; W53-F135 AromaticContact CE2-CD1 3.91Å; W53-F135 HydrophobicContact CE3-CB 3.59Å; W53-F135 AromaticContact CE3-CD1 3.63Å; W53-F135 HydrophobicContact CE3-CD1 3.63Å; W53-F135 HydrophobicContact CE3-CD2 4.33Å; W53-F135 HydrophobicContact CE3-CE1 4.43Å; W53-F135 AromaticContact CE3-CG 3.59Å; W53-F135 HydrophobicContact CE3-CG 3.59Å; W53-F135 AromaticContact CH2-CD1 3.64Å; W53-F135 HydrophobicContact CH2-CD1 3.64Å; W53-F135 HydrophobicContact CH2-CD2 4.11Å; W53-F135 AromaticContact CH2-CE1 3.61Å; W53-F135 HydrophobicContact CH2-CE1 3.61Å; W53-F135 HydrophobicContact CH2-CE2 4.07Å; W53-F135 AromaticContact CH2-CG 3.92Å; W53-F135 HydrophobicContact CH2-CG 3.92Å; W53-F135 AromaticContact CH2-CZ 3.83Å; W53-F135 HydrophobicContact CH2-CZ 3.83Å; W53-F135 AromaticContact CZ2-CD1 3.84Å; W53-F135 HydrophobicContact CZ2-CD1 3.84Å; W53-F135 AromaticContact CZ2-CE1 3.73Å; W53-F135 HydrophobicContact CZ2-CE1 3.73Å; W53-F135 HydrophobicContact CZ2-CZ 4.31Å; W53-F135 HydrophobicContact CZ3-CB 3.86Å; W53-F135 AromaticContact CZ3-CD1 3.53Å; W53-F135 HydrophobicContact CZ3-CD1 3.53Å; W53-F135 AromaticContact CZ3-CD2 3.71Å; W53-F135 HydrophobicContact CZ3-CD2 3.71Å; W53-F135 AromaticContact CZ3-CE1 3.99Å; W53-F135 HydrophobicContact CZ3-CE1 3.99Å; W53-F135 HydrophobicContact CZ3-CE2 4.13Å; W53-F135 AromaticContact CZ3-CG 3.4Å; W53-F135 HydrophobicContact CZ3-CG 3.4Å; W53-F135 HydrophobicContact CZ3-CZ 4.26Å; W53-F137 HydrophobicContact CZ2-CZ 4.23Å
54N97.6Very high98.2Very high54 Ų5456.8 Ų56.829%0.28929%0.293SS..THydrogen-bonded Turntrans49.838.6-175.9-68-55000112.5N56 F135 R136 F137N54-N56 VanDerWaalsContact C-N 3.33Å; N54-N56 PolarHBondContact O-N 2.8Å; N54-F135 PolarHBondContact N-O 2.87Å; N54-R136 WeakPolarHBondContact OD1-CA 3.14Å; N54-F137 WeakPolarHBondContact ND2-CD2 3.29Å; N54-F137 VanDerWaalsContact ND2-CE2 3.31Å; N54-F137 WeakPolarHBondContact ND2-CE2 3.41Å; N54-F137 PolarHBondContact OD1-N 3.2Å
55G96.8Very high98.2Very high44 Ų4457 Ų5745%0.45430%0.295SS..THydrogen-bonded Turntrans85.2-7.7-177.700000115.7L52 W53L52-G55 VanDerWaalsContact CD1-C 3.47Å; L52-G55 WeakPolarHBondContact CD1-O 3.3Å; W53-G55 PolarHBondContact O-N 2.82Å; W53-G55 VanDerWaalsContact O-N 3.14Å
56N98.2Very high98.2Very high113 Ų11360.3 Ų60.360%0.60431%0.313SS*.EExtended strand (participates in β ladder)trans-90128.8175.2-59.5-76.1000110.5L52 W53 N54L52-N56 CarbonylContact C-O 3.51Å; L52-N56 WeakPolarHBondContact CA-O 3.23Å; W53-N56 PolarHBondContact N-O 3.35Å; W53-N56 WeakPolarHBondContact O-CB 3.47Å; W53-N56 PolarHBondContact O-N 2.84Å; W53-N56 PolarHBondContact O-ND2 3.47Å; N54-N56 VanDerWaalsContact C-N 3.33Å; N54-N56 PolarHBondContact O-N 2.8Å
57R98.5Very high98.2Very high145 Ų14562.1 Ų62.155%0.54732%0.32SS..EExtended strand (participates in β ladder)trans-95.5133.2-172.6-169169.2-173.2-91.2-3.7111.8V50 L51 L52 E59V50-R57 HydrophobicContact CG1-CG 4.2Å; L51-R57 CarbonylContact O-C 3.56Å; L51-R57 WeakPolarHBondContact O-CA 3.32Å; L52-R57 HydrophobicContact CD1-CB 4.16Å; R57-E59 IonicContact CZ-OE1 3.04Å; R57-E59 IonicContact CZ-OE2 3.71Å; R57-E59 VanDerWaalsContact NH1-CG 3.32Å; R57-E59 IonicContact NH1-OE1 2.9Å; R57-E59 PolarHBondContact NH1-OE1 3.28Å; R57-E59 IonicContact NH1-OE2 2.78Å; R57-E59 PolarHBondContact NH1-OE2 3.02Å; R57-E59 VanDerWaalsContact NH2-CD 3.29Å; R57-E59 IonicContact NH2-OE1 2.57Å; R57-E59 PolarHBondContact NH2-OE1 2.93Å; R57-E59 IonicContact NH2-OE2 3.94Å
58V98.7Very high98.2Very high28 Ų2856.8 Ų56.817%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-131.8135.7174.6-173.70000108.4L51 L63 V64 F67L51-V58 HydrophobicContact CB-CB 4.3Å; L51-V58 HydrophobicContact CD2-CB 4.43Å; L51-V58 PolarHBondContact N-O 3.16Å; L51-V58 PolarHBondContact O-N 2.88Å; V58-L63 HydrophobicContact CG1-CB 3.85Å; V58-V64 HydrophobicContact CB-CG2 4.29Å; V58-V64 HydrophobicContact CG1-CG2 3.93Å; V58-F67 HydrophobicContact CG2-CG 4.48Å
59E98.5Very high98.1Very high97 Ų9755.4 Ų55.445%0.45329%0.29SS..EExtended strand (participates in β ladder)trans-127.7142-175.2-67.9-166.9115.600113.1V50 R57 L63V50-E59 HydrophobicContact CG1-CG 4.39Å; V50-E59 HydrophobicContact CG2-CG 4.23Å; R57-E59 IonicContact CZ-OE1 3.04Å; R57-E59 IonicContact CZ-OE2 3.71Å; R57-E59 VanDerWaalsContact NH1-CG 3.32Å; R57-E59 IonicContact NH1-OE1 2.9Å; R57-E59 PolarHBondContact NH1-OE1 3.28Å; R57-E59 IonicContact NH1-OE2 2.78Å; R57-E59 PolarHBondContact NH1-OE2 3.02Å; R57-E59 VanDerWaalsContact NH2-CD 3.29Å; R57-E59 IonicContact NH2-OE1 2.57Å; R57-E59 PolarHBondContact NH2-OE1 2.93Å; R57-E59 IonicContact NH2-OE2 3.94Å; E59-L63 WeakPolarHBondContact O-CB 3.37Å; E59-L63 WeakPolarHBondContact O-CD1 3.4Å
60G98.4Very high98Very high21 Ų2162.2 Ų62.222%0.21632%0.32CS..SBendtrans87137.117900000111.8D47 V49 K62 L63 V64D47-G60 WeakPolarHBondContact O-CA 3.4Å; V49-G60 PolarHBondContact O-N 2.83Å; G60-K62 VanDerWaalsContact C-N 3.32Å; G60-K62 PolarHBondContact O-N 2.89Å; G60-L63 PolarHBondContact O-N 3.05Å; G60-L63 VanDerWaalsContact O-N 3.08Å; G60-V64 PolarHBondContact O-N 2.89Å
61Q98.2Very high97.9Very high44 Ų4462.1 Ų62.121%0.20632%0.318CS..Hα-helixtrans-51.9-49.4-173.8-175.6-166.593.800111.8P42 F45 D47 V49 L63 V64 I65P42-Q61 PolarHBondContact O-NE2 3.14Å; F45-Q61 HydrophobicContact CB-CG 4.07Å; F45-Q61 PolarHBondContact O-NE2 2.83Å; D47-Q61 PolarHBondContact O-N 3.3Å; D47-Q61 PolarHBondContact OD1-NE2 3.03Å; V49-Q61 HydrophobicContact CG1-CB 4.27Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 2.87Å; Q61-V64 PolarHBondContact O-N 2.87Å; Q61-I65 HydrophobicContact CG-CG1 4.25Å; Q61-I65 VanDerWaalsContact O-CG1 3.27Å; Q61-I65 WeakPolarHBondContact O-CG1 3.4Å; Q61-I65 PolarHBondContact O-N 2.84Å
62K98.1Very high97.8Very high179 Ų17964.5 Ų64.578%0.77833%0.333SS*.Hα-helixtrans-57.1-42.6-178.8-174.8179177.6-1780112.8G60 D66G60-K62 VanDerWaalsContact C-N 3.32Å; G60-K62 PolarHBondContact O-N 2.89Å; K62-D66 VanDerWaalsContact O-CB 3.31Å; K62-D66 WeakPolarHBondContact O-CB 3.39Å; K62-D66 PolarHBondContact O-N 3.37Å
63L98.5Very high97.8Very high102 Ų10265.3 Ų65.353%0.53434%0.338SS..Hα-helixtrans-74-36.7-179.6-66-177.5000111.8V58 E59 G60 Q61 D66 F67V58-L63 HydrophobicContact CG1-CB 3.85Å; E59-L63 WeakPolarHBondContact O-CB 3.37Å; E59-L63 WeakPolarHBondContact O-CD1 3.4Å; G60-L63 PolarHBondContact O-N 3.05Å; G60-L63 VanDerWaalsContact O-N 3.08Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 2.87Å; L63-D66 PolarHBondContact O-N 2.89Å; L63-F67 WeakPolarHBondContact O-CB 3.41Å; L63-F67 PolarHBondContact O-N 2.87Å
64V98.6Very high97.7Very high0 Ų064.6 Ų64.60%034%0.336CS..Hα-helixtrans-63.3-45.1173.9168.50000111.2F45 V49 L51 V58 G60 Q61 F67 F68F45-V64 HydrophobicContact CE1-CG1 4.44Å; F45-V64 HydrophobicContact CZ-CG1 4.41Å; V49-V64 HydrophobicContact CG1-CB 4.16Å; V49-V64 HydrophobicContact CG1-CG2 3.86Å; L51-V64 HydrophobicContact CB-CG1 4.36Å; L51-V64 HydrophobicContact CB-CG2 3.71Å; L51-V64 HydrophobicContact CD2-CG1 4.2Å; L51-V64 HydrophobicContact CD2-CG2 4.45Å; V58-V64 HydrophobicContact CB-CG2 4.29Å; V58-V64 HydrophobicContact CG1-CG2 3.93Å; G60-V64 PolarHBondContact O-N 2.89Å; Q61-V64 PolarHBondContact O-N 2.87Å; V64-F67 WeakPolarHBondContact O-CB 3.42Å; V64-F67 PolarHBondContact O-N 2.88Å; V64-F68 HydrophobicContact CG1-CD2 3.77Å; V64-F68 HydrophobicContact CG1-CE2 3.35Å; V64-F68 HydrophobicContact CG1-CZ 4.06Å; V64-F68 WeakPolarHBondContact O-CD2 3.44Å; V64-F68 WeakPolarHBondContact O-CG 3.23Å; V64-F68 PolarHBondContact O-N 2.95Å
65I98Very high97.8Very high35 Ų3566.3 Ų66.318%0.17935%0.348CS..Hα-helixtrans-66.3-43177.1-63.3-55.1000111.4L41 P42 F45 Q61 F67 F68 S69L41-I65 HydrophobicContact CB-CD1 3.66Å; P42-I65 HydrophobicContact CB-CD1 4.42Å; P42-I65 HydrophobicContact CB-CG1 4.26Å; P42-I65 HydrophobicContact CG-CD1 4.1Å; P42-I65 HydrophobicContact CG-CG1 4.01Å; P42-I65 HydrophobicContact CG-CG2 4.01Å; F45-I65 HydrophobicContact CD2-CD1 3.82Å; F45-I65 HydrophobicContact CE2-CD1 3.97Å; Q61-I65 HydrophobicContact CG-CG1 4.25Å; Q61-I65 VanDerWaalsContact O-CG1 3.27Å; Q61-I65 WeakPolarHBondContact O-CG1 3.4Å; Q61-I65 PolarHBondContact O-N 2.84Å; I65-F67 VanDerWaalsContact C-N 3.31Å; I65-F67 PolarHBondContact O-N 3.2Å; I65-F68 PolarHBondContact O-N 2.81Å; I65-S69 WeakPolarHBondContact O-CB 3.39Å; I65-S69 PolarHBondContact O-N 2.84Å
66D97.7Very high97.8Very high70 Ų7064.9 Ų64.937%0.37433%0.332SS..Hα-helixtrans-59.8-42.1174.4176.760000111.4K62 L63 S69 K70K62-D66 VanDerWaalsContact O-CB 3.31Å; K62-D66 WeakPolarHBondContact O-CB 3.39Å; K62-D66 PolarHBondContact O-N 3.37Å; L63-D66 PolarHBondContact O-N 2.89Å; D66-S69 PolarHBondContact O-N 2.89Å; D66-S69 PolarHBondContact O-OG 2.8Å; D66-K70 VanDerWaalsContact CG-NZ 3.3Å; D66-K70 WeakPolarHBondContact O-CG 3.35Å; D66-K70 VanDerWaalsContact OD1-CE 3.29Å; D66-K70 WeakPolarHBondContact OD1-CE 3.1Å; D66-K70 IonicContact OD1-NZ 2.62Å; D66-K70 PolarHBondContact OD1-NZ 3.3Å; D66-K70 WeakPolarHBondContact OD2-CE 3.18Å; D66-K70 IonicContact OD2-NZ 2.65Å; D66-K70 PolarHBondContact OD2-NZ 3.14Å
67F98.1Very high97.9Very high55 Ų5562.9 Ų62.924%0.24132%0.324CS..Hα-helixtrans-59.3-51.8173.4173-96.3000111.6L51 W53 V58 L63 V64 I65 S69 K70 L71L51-F67 HydrophobicContact CD2-CD1 3.66Å; L51-F67 HydrophobicContact CD2-CE1 3.96Å; W53-F67 HydrophobicContact CB-CE1 4.07Å; W53-F67 HydrophobicContact CB-CZ 4.03Å; W53-F67 AromaticContact CD1-CZ 3.59Å; W53-F67 AromaticContact CD2-CE1 3.7Å; W53-F67 HydrophobicContact CD2-CE1 3.7Å; W53-F67 AromaticContact CD2-CZ 3.9Å; W53-F67 HydrophobicContact CD2-CZ 3.9Å; W53-F67 HydrophobicContact CE3-CE1 4.01Å; W53-F67 AromaticContact CG-CE1 3.74Å; W53-F67 HydrophobicContact CG-CE1 3.74Å; W53-F67 AromaticContact CG-CZ 3.57Å; W53-F67 HydrophobicContact CG-CZ 3.57Å; W53-F67 AromaticContact NE1-CZ 3.89Å; V58-F67 HydrophobicContact CG2-CG 4.48Å; L63-F67 WeakPolarHBondContact O-CB 3.41Å; L63-F67 PolarHBondContact O-N 2.87Å; V64-F67 WeakPolarHBondContact O-CB 3.42Å; V64-F67 PolarHBondContact O-N 2.88Å; I65-F67 VanDerWaalsContact C-N 3.31Å; I65-F67 PolarHBondContact O-N 3.2Å; F67-S69 VanDerWaalsContact C-N 3.28Å; F67-S69 PolarHBondContact O-N 3.44Å; F67-K70 PolarHBondContact O-N 2.93Å; F67-K70 VanDerWaalsContact O-N 3.16Å; F67-L71 HydrophobicContact CE1-CD1 4.18Å; F67-L71 HydrophobicContact CE1-CD2 4.38Å; F67-L71 HydrophobicContact CE1-CG 4.47Å; F67-L71 HydrophobicContact CZ-CD2 4.19Å
68F97.8Very high97.8Very high1 Ų159.1 Ų59.10%0.00431%0.314CS..Hα-helixtrans-62.8-33.3178.2-68-36.4000112.6F33 R38 L41 F45 L51 W53 V64 I65 K70 L71F33-F68 AromaticContact CE2-CD1 3.77Å; F33-F68 HydrophobicContact CE2-CD1 3.77Å; F33-F68 HydrophobicContact CE2-CD2 4.41Å; F33-F68 AromaticContact CE2-CE1 3.95Å; F33-F68 HydrophobicContact CE2-CE1 3.95Å; F33-F68 HydrophobicContact CE2-CG 4.02Å; F33-F68 HydrophobicContact CE2-CZ 4.32Å; F33-F68 HydrophobicContact CZ-CD1 4.29Å; R38-F68 PolarHBondContact NH1-O 2.87Å; L41-F68 HydrophobicContact CD1-CB 3.99Å; L41-F68 HydrophobicContact CD1-CD2 3.88Å; L41-F68 HydrophobicContact CD1-CG 4.21Å; F45-F68 HydrophobicContact CE1-CE2 4.37Å; F45-F68 HydrophobicContact CE2-CD2 4.4Å; F45-F68 HydrophobicContact CE2-CE2 4.01Å; F45-F68 HydrophobicContact CZ-CD2 4.37Å; F45-F68 AromaticContact CZ-CE2 3.57Å; F45-F68 HydrophobicContact CZ-CE2 3.57Å; F45-F68 HydrophobicContact CZ-CZ 4.44Å; L51-F68 HydrophobicContact CD1-CE1 4.47Å; L51-F68 HydrophobicContact CD1-CZ 4.09Å; L51-F68 HydrophobicContact CD2-CE1 3.7Å; L51-F68 HydrophobicContact CD2-CE2 4.43Å; L51-F68 HydrophobicContact CD2-CZ 3.66Å; L51-F68 HydrophobicContact CG-CZ 4.48Å; W53-F68 AromaticContact CE3-CE1 3.9Å; W53-F68 HydrophobicContact CE3-CE1 3.9Å; W53-F68 AromaticContact CZ3-CE1 3.81Å; W53-F68 HydrophobicContact CZ3-CE1 3.81Å; V64-F68 HydrophobicContact CG1-CD2 3.77Å; V64-F68 HydrophobicContact CG1-CE2 3.35Å; V64-F68 HydrophobicContact CG1-CZ 4.06Å; V64-F68 WeakPolarHBondContact O-CD2 3.44Å; V64-F68 WeakPolarHBondContact O-CG 3.23Å; V64-F68 PolarHBondContact O-N 2.95Å; I65-F68 PolarHBondContact O-N 2.81Å; F68-K70 PolarHBondContact O-N 3.08Å; F68-K70 VanDerWaalsContact O-N 3.15Å; F68-L71 HydrophobicContact CD1-CD1 3.79Å; F68-L71 HydrophobicContact CE1-CD1 4.49Å; F68-L71 PolarHBondContact O-N 2.98Å; F68-L71 VanDerWaalsContact O-N 3.16Å
69S95.3Very high97.8Very high69 Ų6962.8 Ų62.848%0.48333%0.329SS..Hα-helixtrans-62.9-21.7178.277.40000113.9I65 D66 F67I65-S69 WeakPolarHBondContact O-CB 3.39Å; I65-S69 PolarHBondContact O-N 2.84Å; D66-S69 PolarHBondContact O-N 2.89Å; D66-S69 PolarHBondContact O-OG 2.8Å; F67-S69 VanDerWaalsContact C-N 3.28Å; F67-S69 PolarHBondContact O-N 3.44Å
70K95.8Very high97.8Very high144 Ų14461.3 Ų61.363%0.62633%0.329SS*.THydrogen-bonded Turntrans-91-9.8-179.5-64.6167-170.3166.20113.3D66 F67 F68D66-K70 VanDerWaalsContact CG-NZ 3.3Å; D66-K70 WeakPolarHBondContact O-CG 3.35Å; D66-K70 VanDerWaalsContact OD1-CE 3.29Å; D66-K70 WeakPolarHBondContact OD1-CE 3.1Å; D66-K70 IonicContact OD1-NZ 2.62Å; D66-K70 PolarHBondContact OD1-NZ 3.3Å; D66-K70 WeakPolarHBondContact OD2-CE 3.18Å; D66-K70 IonicContact OD2-NZ 2.65Å; D66-K70 PolarHBondContact OD2-NZ 3.14Å; F67-K70 PolarHBondContact O-N 2.93Å; F67-K70 VanDerWaalsContact O-N 3.16Å; F68-K70 PolarHBondContact O-N 3.08Å; F68-K70 VanDerWaalsContact O-N 3.15Å
71L96.8Very high97.8Very high31 Ų3163 Ų6316%0.16233%0.333CS..SBendtrans-73.6144.9175-61.1178.8000109.6F33 R38 W53 F67 F68 F107F33-L71 HydrophobicContact CZ-CD1 4Å; R38-L71 PolarHBondContact NH1-O 2.88Å; W53-L71 HydrophobicContact CH2-CD1 3.77Å; W53-L71 HydrophobicContact CZ2-CD1 3.91Å; W53-L71 HydrophobicContact CZ2-CD2 4.46Å; W53-L71 HydrophobicContact CZ3-CD1 4.3Å; F67-L71 HydrophobicContact CE1-CD1 4.18Å; F67-L71 HydrophobicContact CE1-CD2 4.38Å; F67-L71 HydrophobicContact CE1-CG 4.47Å; F67-L71 HydrophobicContact CZ-CD2 4.19Å; F68-L71 HydrophobicContact CD1-CD1 3.79Å; F68-L71 HydrophobicContact CE1-CD1 4.49Å; F68-L71 PolarHBondContact O-N 2.98Å; F68-L71 VanDerWaalsContact O-N 3.16Å; L71-F107 HydrophobicContact CB-CE1 4.16Å; L71-F107 HydrophobicContact CD1-CE1 4.43Å
72P97.2Very high97.8Very high51 Ų5163.3 Ų63.333%0.33134%0.34SS..PPolyproline II helixtrans-57.6160.8171.3-19.831.1000111.3R38 F107 E108R38-P72 PolarHBondContact NH2-O 2.91Å; P72-F107 HydrophobicContact CB-CB 4.25Å; P72-F107 HydrophobicContact CB-CD1 4.25Å; P72-F107 HydrophobicContact CG-CB 4.46Å; P72-F107 HydrophobicContact CG-CD1 4.48Å; P72-F107 WeakPolarHBondContact O-CD1 3.34Å; P72-E108 HydrophobicContact CB-CB 4.32Å
73D97.7Very high97.8Very high67 Ų6755.4 Ų55.436%0.35831%0.307SS..PPolyproline II helixtrans-57.3144.6172.1-75.9-11.2000110.3F107 E108D73-F107 CarbonylContact O-C 3.52Å; D73-F107 WeakPolarHBondContact O-CA 3.3Å; D73-E108 PolarHBondContact O-N 3Å
74S98Very high97.7Very high6 Ų654.4 Ų54.44%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-125.9160-173.458.80000112.4F33 D34 K106F33-S74 VanDerWaalsContact CD1-OG 3.29Å; F33-S74 WeakPolarHBondContact CD1-OG 3.4Å; F33-S74 WeakPolarHBondContact CE1-OG 3.17Å; D34-S74 WeakPolarHBondContact CB-O 3.36Å; D34-S74 VanDerWaalsContact OD1-C 3.27Å; D34-S74 PolarHBondContact OD1-OG 3.47Å; S74-K106 CarbonylContact C-O 3.49Å; S74-K106 VanDerWaalsContact CA-O 3.3Å; S74-K106 WeakPolarHBondContact CA-O 3.28Å
75T98.3Very high97.6Very high90 Ų9055.6 Ų55.655%0.55231%0.308SS*.EExtended strand (participates in β ladder)trans-131.5114.8161.6-57.20000108.2I105 K106T75-I105 WeakPolarHBondContact O-CA 3.36Å; T75-K106 PolarHBondContact N-O 3.3Å; T75-K106 PolarHBondContact O-N 3.37Å
76C98.5Very high97.4Very high15 Ų1555.2 Ų55.210%0.10131%0.307CS..EExtended strand (participates in β ladder)trans-94.8135.8177.6-61.10000110.2Y30 D34 T104Y30-C76 HydrophobicContact CD1-CB 3.83Å; Y30-C76 HydrophobicContact CG-CB 4.42Å; D34-C76 PolarHBondContact OD1-N 2.98Å; D34-C76 PolarHBondContact OD1-SG 3.28Å; D34-C76 PolarHBondContact OD2-N 2.97Å; C76-T104 CarbonylContact C-O 3.56Å; C76-T104 WeakPolarHBondContact CA-O 3.39Å
77T98.3Very high97Very high71 Ų7158.2 Ų58.244%0.43632%0.319SS..EExtended strand (participates in β ladder)trans-123.9114.9169.6-59.20000108.7G103 T104T77-G103 CarbonylContact O-C 3.5Å; T77-G103 WeakPolarHBondContact O-CA 3.29Å; T77-T104 PolarHBondContact N-O 2.9Å; T77-T104 PolarHBondContact O-N 3.39Å
78L98.4Very high96.5Very high66 Ų6661.7 Ų61.735%0.34633%0.334SS..EExtended strand (participates in β ladder)trans-81.3134.1179.3-71.867.1000109.2Y30 L81 V101Y30-L78 HydrophobicContact CD1-CD1 4.29Å; Y30-L78 HydrophobicContact CD2-CD1 3.62Å; Y30-L78 HydrophobicContact CD2-CD2 3.66Å; Y30-L78 HydrophobicContact CD2-CG 4.03Å; Y30-L78 HydrophobicContact CE2-CD1 4.09Å; Y30-L78 HydrophobicContact CE2-CD2 3.72Å; Y30-L78 HydrophobicContact CE2-CG 4.06Å; Y30-L78 HydrophobicContact CG-CD1 3.74Å; L78-L81 HydrophobicContact CD2-CD1 4.44Å; L78-V101 HydrophobicContact CD2-CG1 3.95Å; L78-V101 HydrophobicContact CG-CG1 3.82Å
79H98.1Very high96Very high104 Ų10466.1 Ų66.148%0.48137%0.365SS..EExtended strand (participates in β ladder)trans-107.3-35.6177.4-62.4-42.5000111.9F102 G103 T104H79-F102 HydrophobicContact CB-CD1 4.01Å; H79-F102 HydrophobicContact CB-CE1 4.42Å; H79-F102 PolarHBondContact N-O 2.83Å; H79-G103 VanDerWaalsContact CD2-CA 3.47Å; H79-G103 WeakPolarHBondContact CD2-CA 3.11Å; H79-T104 WeakPolarHBondContact NE2-CG2 3.37Å; H79-T104 PolarHBondContact NE2-OG1 3.39Å
80S98.1Very high95.6Very high66 Ų6669.7 Ų69.746%0.46238%0.378SS..EExtended strand (participates in β ladder)trans-149.4155.8171.467.50000111.3F102S80-F102 PolarHBondContact N-O 2.91Å; S80-F102 PolarHBondContact O-N 2.84Å; S80-F102 WeakPolarHBondContact OG-CB 3.46Å
81L98.1Very high95.1Very high56 Ų5663.6 Ų63.629%0.29335%0.353SS..EExtended strand (participates in β ladder)trans-145.4135.7178.8174.6149.4000107.9E23 S26 L78 C83 V99 N100 V101E23-L81 HydrophobicContact CG-CD2 3.77Å; S26-L81 VanDerWaalsContact OG-CD1 3.29Å; S26-L81 WeakPolarHBondContact OG-CD1 3.45Å; L78-L81 HydrophobicContact CD2-CD1 4.44Å; L81-C83 WeakPolarHBondContact CD2-SG 3.25Å; L81-V99 HydrophobicContact CD1-CG1 4.31Å; L81-V99 HydrophobicContact CG-CG1 4.27Å; L81-N100 CarbonylContact C-O 3.57Å; L81-N100 VanDerWaalsContact CA-O 3.31Å; L81-N100 WeakPolarHBondContact CA-O 3.31Å; L81-V101 HydrophobicContact CD1-CG2 4.21Å; L81-V101 HydrophobicContact CG-CG2 4.48Å
82S98.1Very high94.6Very high51 Ų5164 Ų6436%0.35737%0.365SS..EExtended strand (participates in β ladder)trans-134.1134.9175.6-1790000109.2V99 N100S82-V99 CarbonylContact O-C 3.58Å; S82-V99 WeakPolarHBondContact O-CA 3.29Å; S82-N100 PolarHBondContact N-O 2.83Å; S82-N100 PolarHBondContact O-N 2.83Å
83C98.2Very high94.1Very high13 Ų1369.6 Ų69.69%0.08839%0.392CS..EExtended strand (participates in β ladder)trans-128.3132.8-178.2-54.20000109.8A18 G22 L81 V97 L98A18-C83 VanDerWaalsContact O-CB 3.24Å; A18-C83 WeakPolarHBondContact O-CB 3.27Å; G22-C83 VanDerWaalsContact CA-SG 3.52Å; L81-C83 WeakPolarHBondContact CD2-SG 3.25Å; C83-V97 HydrophobicContact CB-CG1 4.36Å; C83-L98 CarbonylContact C-O 3.55Å; C83-L98 VanDerWaalsContact CA-O 3.31Å; C83-L98 WeakPolarHBondContact CA-O 3.04Å
84Q96.5Very high93.6Very high81 Ų8171.6 Ų71.638%0.37939%0.394SS..EExtended strand (participates in β ladder)trans-140.9139.7-176.9-49.7-170.3-14.200109.7W15 L98W15-Q84 HydrophobicContact CH2-CB 4.1Å; W15-Q84 HydrophobicContact CH2-CG 4.25Å; W15-Q84 HydrophobicContact CZ3-CB 3.75Å; W15-Q84 HydrophobicContact CZ3-CG 3.75Å; Q84-L98 PolarHBondContact N-O 2.87Å; Q84-L98 PolarHBondContact O-N 2.83Å
85P96.5Very high93.2Very high26 Ų2673.5 Ų73.517%0.16940%0.404CS..EExtended strand (participates in β ladder)trans-68137.3170.129.8-32000109.4L14 W15 A18L14-P85 HydrophobicContact CB-CB 4.28Å; L14-P85 HydrophobicContact CB-CG 4.34Å; W15-P85 HydrophobicContact CD2-CG 3.86Å; W15-P85 VanDerWaalsContact CE3-CD 3.43Å; W15-P85 HydrophobicContact CE3-CG 4.24Å; W15-P85 HydrophobicContact CG-CG 4.17Å; W15-P85 HydrophobicContact CZ2-CG 4.36Å; A18-P85 HydrophobicContact CB-CB 4.34Å
86V94.7Very high93.2Very high26 Ų2669.9 Ų69.916%0.15838%0.381CS..PPolyproline II helixtrans-79.8130.2171.9178.90000108.5L90 S91 L96 L98 F120V86-L90 HydrophobicContact CG1-CB 4Å; V86-L90 HydrophobicContact CG1-CD1 4.44Å; V86-S91 PolarHBondContact O-OG 2.88Å; V86-L96 HydrophobicContact CB-CB 3.73Å; V86-L96 HydrophobicContact CG1-CB 4.47Å; V86-L96 HydrophobicContact CG2-CB 3.84Å; V86-L96 PolarHBondContact N-O 2.92Å; V86-L98 HydrophobicContact CG2-CB 4.08Å; V86-F120 HydrophobicContact CG2-CD1 4.13Å; V86-F120 HydrophobicContact CG2-CE1 4.01Å
87H89.2Confident93.1Very high134 Ų13469.2 Ų69.262%0.6238%0.376SS*.PPolyproline II helixtrans-59.5140.5-178.2-171.8-99.8000112.4S89 L90 S91H87-S89 VanDerWaalsContact ND1-CB 3.35Å; H87-S89 WeakPolarHBondContact ND1-CB 3.33Å; H87-S89 PolarHBondContact ND1-N 3.24Å; H87-S89 PolarHBondContact ND1-OG 2.99Å; H87-S89 PolarHBondContact O-N 2.98Å; H87-L90 PolarHBondContact O-N 2.77Å; H87-S91 PolarHBondContact O-N 2.57Å; H87-S91 PolarHBondContact O-OG 3.26Å
88K86.9Confident93.1Very high128 Ų12867.6 Ų67.656%0.55737%0.365SS*.Hα-helixtrans-57.1-26.3-175.9-68.9-172.6177.3-176.70114.4L90 S91 G92K88-L90 PolarHBondContact O-N 2.78Å; K88-S91 WeakPolarHBondContact CA-OG 3.32Å; K88-S91 PolarHBondContact O-N 2.9Å; K88-G92 WeakPolarHBondContact O-CA 3.34Å; K88-G92 PolarHBondContact O-N 3.49Å
89S87.7Confident93.1Very high94 Ų9464.4 Ų64.466%0.65735%0.348SS*.Hα-helixtrans-62-21.7174.467.30000113.6H87H87-S89 VanDerWaalsContact ND1-CB 3.35Å; H87-S89 WeakPolarHBondContact ND1-CB 3.33Å; H87-S89 PolarHBondContact ND1-N 3.24Å; H87-S89 PolarHBondContact ND1-OG 2.99Å; H87-S89 PolarHBondContact O-N 2.98Å
90L86.4Confident93.2Very high144 Ų14462.2 Ų62.275%0.75434%0.34SS*.Hα-helixtrans-106.5-30.9178.1-61.7175.8000112.3V86 H87 K88V86-L90 HydrophobicContact CG1-CB 4Å; V86-L90 HydrophobicContact CG1-CD1 4.44Å; H87-L90 PolarHBondContact O-N 2.77Å; K88-L90 PolarHBondContact O-N 2.78Å
91S84.9Confident93.2Very high16 Ų1659.1 Ų59.111%0.11232%0.319CS..Hα-helixtrans-98.1-12.4-174.558.60000114.5V86 H87 K88 R94V86-S91 PolarHBondContact O-OG 2.88Å; H87-S91 PolarHBondContact O-N 2.57Å; H87-S91 PolarHBondContact O-OG 3.26Å; K88-S91 WeakPolarHBondContact CA-OG 3.32Å; K88-S91 PolarHBondContact O-N 2.9Å; S91-R94 VanDerWaalsContact CB-O 3.3Å; S91-R94 WeakPolarHBondContact CB-O 3.29Å; S91-R94 PolarHBondContact O-N 2.84Å; S91-R94 PolarHBondContact OG-O 2.94Å
92G86.8Confident93.2Very high40 Ų4060.2 Ų60.241%0.41232%0.321SS..THydrogen-bonded Turntrans63.9-138.9-169.600000110.9K88 R94K88-G92 WeakPolarHBondContact O-CA 3.34Å; K88-G92 PolarHBondContact O-N 3.49Å; G92-R94 VanDerWaalsContact C-N 3.25Å; G92-R94 PolarHBondContact O-N 2.86Å
93D85.8Confident93.2Very high168 Ų16857.8 Ų57.890%0.89830%0.304SS*.THydrogen-bonded Turntrans-81.3-5.6176.7-64-36.8000113.2
94R88.1Confident93.3Very high108 Ų10858.5 Ų58.541%0.40831%0.308SS..SBendtrans-81128.3-178.4-174.4171.967.51670.5110.5S91 G92 L96 T122S91-R94 VanDerWaalsContact CB-O 3.3Å; S91-R94 WeakPolarHBondContact CB-O 3.29Å; S91-R94 PolarHBondContact O-N 2.84Å; S91-R94 PolarHBondContact OG-O 2.94Å; G92-R94 VanDerWaalsContact C-N 3.25Å; G92-R94 PolarHBondContact O-N 2.86Å; R94-L96 HydrophobicContact CG-CG 4.5Å; R94-L96 PolarHBondContact O-N 2.93Å; R94-T122 WeakPolarHBondContact CD-OG1 3.24Å; R94-T122 WeakPolarHBondContact CG-OG1 3.32Å
95L90.6Very high93.4Very high46 Ų4654.7 Ų54.724%0.24129%0.29CS..  trans-69116.4169.5-17657.6000109.7L14 T17 T122 W128L14-L95 HydrophobicContact CD2-CD1 3.9Å; T17-L95 HydrophobicContact CG2-CD2 4.03Å; L95-T122 PolarHBondContact O-OG1 3.44Å; L95-W128 HydrophobicContact CD2-CH2 3.55Å; L95-W128 HydrophobicContact CD2-CZ2 4.16Å; L95-W128 HydrophobicContact CG-CH2 3.84Å; L95-W128 HydrophobicContact CG-CZ3 4.46Å
96L96.3Very high93.4Very high15 Ų1559 Ų598%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-119.3133.2175.6-77.1-175.3000109.1V86 R94 L121V86-L96 HydrophobicContact CB-CB 3.73Å; V86-L96 HydrophobicContact CG1-CB 4.47Å; V86-L96 HydrophobicContact CG2-CB 3.84Å; V86-L96 PolarHBondContact N-O 2.92Å; R94-L96 HydrophobicContact CG-CG 4.5Å; R94-L96 PolarHBondContact O-N 2.93Å; L96-L121 WeakPolarHBondContact CA-O 3.37Å
97V98Very high93.6Very high0 Ų058.4 Ų58.40%030%0.302CS..EExtended strand (participates in β ladder)trans-117.9122.4176.6178.30000108.3A18 C83 V99 F120 L121 W128A18-V97 HydrophobicContact CB-CG1 3.85Å; A18-V97 HydrophobicContact CB-CG2 4.01Å; C83-V97 HydrophobicContact CB-CG1 4.36Å; V97-V99 HydrophobicContact CG1-CG2 3.9Å; V97-F120 WeakPolarHBondContact O-CA 3.25Å; V97-L121 HydrophobicContact CB-CB 4.27Å; V97-L121 PolarHBondContact N-O 2.87Å; V97-L121 PolarHBondContact O-N 3.37Å; V97-W128 HydrophobicContact CB-CZ3 4.48Å; V97-W128 HydrophobicContact CG2-CH2 3.69Å; V97-W128 HydrophobicContact CG2-CZ3 3.79Å
98L98.2Very high93.9Very high37 Ų3757.1 Ų57.119%0.19430%0.296CS..EExtended strand (participates in β ladder)trans-84.7121.1169.5176.665.4000108.2C83 Q84 V86 T118 F120C83-L98 CarbonylContact C-O 3.55Å; C83-L98 VanDerWaalsContact CA-O 3.31Å; C83-L98 WeakPolarHBondContact CA-O 3.04Å; Q84-L98 PolarHBondContact N-O 2.87Å; Q84-L98 PolarHBondContact O-N 2.83Å; V86-L98 HydrophobicContact CG2-CB 4.08Å; L98-T118 HydrophobicContact CD1-CG2 3.34Å; L98-F120 HydrophobicContact CB-CE1 4.43Å; L98-F120 HydrophobicContact CD1-CD1 4.3Å; L98-F120 HydrophobicContact CD1-CD2 4.47Å; L98-F120 HydrophobicContact CD1-CE1 3.82Å; L98-F120 HydrophobicContact CD1-CE2 4.01Å; L98-F120 HydrophobicContact CD1-CZ 3.67Å
99V98.7Very high94.4Very high0 Ų059.3 Ų59.30%031%0.308CS..EExtended strand (participates in β ladder)trans-115.2122.1174.2-175.80000108.4L81 S82 V97 V101 T118 F119 L121L81-V99 HydrophobicContact CD1-CG1 4.31Å; L81-V99 HydrophobicContact CG-CG1 4.27Å; S82-V99 CarbonylContact O-C 3.58Å; S82-V99 WeakPolarHBondContact O-CA 3.29Å; V97-V99 HydrophobicContact CG1-CG2 3.9Å; V99-V101 HydrophobicContact CG1-CG2 3.95Å; V99-T118 CarbonylContact O-C 3.57Å; V99-T118 VanDerWaalsContact O-CA 3.25Å; V99-T118 WeakPolarHBondContact O-CA 3.48Å; V99-F119 HydrophobicContact CB-CB 4.26Å; V99-F119 HydrophobicContact CB-CD2 4.28Å; V99-F119 HydrophobicContact CG1-CD2 4.35Å; V99-F119 PolarHBondContact N-O 3.48Å; V99-F119 PolarHBondContact O-N 2.9Å; V99-L121 HydrophobicContact CG2-CD1 3.64Å; V99-L121 HydrophobicContact CG2-CG 3.99Å
100N98.6Very high94.8Very high57 Ų5759.5 Ų59.531%0.30530%0.299SS..EExtended strand (participates in β ladder)trans-108.7128.3172.1-67.2-59000109L81 S82 T118L81-N100 CarbonylContact C-O 3.57Å; L81-N100 VanDerWaalsContact CA-O 3.31Å; L81-N100 WeakPolarHBondContact CA-O 3.31Å; S82-N100 PolarHBondContact N-O 2.83Å; S82-N100 PolarHBondContact O-N 2.83Å; N100-T118 WeakPolarHBondContact OD1-CG2 3.35Å; N100-T118 PolarHBondContact OD1-OG1 3.4Å
101V98.8Very high95.2Very high2 Ų256.8 Ų56.81%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-122.4136.1179.2-173.40000108.9Y30 L78 L81 V99 S116 E117 F119Y30-V101 HydrophobicContact CE2-CB 4.48Å; Y30-V101 HydrophobicContact CE2-CG1 3.96Å; Y30-V101 HydrophobicContact CE2-CG2 4.15Å; Y30-V101 WeakPolarHBondContact OH-CB 3.4Å; Y30-V101 VanDerWaalsContact OH-CG1 3.29Å; Y30-V101 WeakPolarHBondContact OH-CG1 3.47Å; L78-V101 HydrophobicContact CD2-CG1 3.95Å; L78-V101 HydrophobicContact CG-CG1 3.82Å; L81-V101 HydrophobicContact CD1-CG2 4.21Å; L81-V101 HydrophobicContact CG-CG2 4.48Å; V99-V101 HydrophobicContact CG1-CG2 3.95Å; V101-S116 VanDerWaalsContact O-CA 3.32Å; V101-S116 WeakPolarHBondContact O-CA 3.35Å; V101-E117 PolarHBondContact N-O 3.42Å; V101-E117 PolarHBondContact O-N 3.3Å; V101-F119 HydrophobicContact CG2-CD2 4.41Å; V101-F119 HydrophobicContact CG2-CE2 4.05Å
102F98.5Very high95.9Very high78 Ų7860 Ų6034%0.34231%0.309SS..EExtended strand (participates in β ladder)trans-125134.5170176.3-95.8000108.5H79 S80 I114 I138H79-F102 HydrophobicContact CB-CD1 4.01Å; H79-F102 HydrophobicContact CB-CE1 4.42Å; H79-F102 PolarHBondContact N-O 2.83Å; S80-F102 PolarHBondContact N-O 2.91Å; S80-F102 PolarHBondContact O-N 2.84Å; S80-F102 WeakPolarHBondContact OG-CB 3.46Å; F102-I114 HydrophobicContact CD2-CG2 4.2Å; F102-I114 HydrophobicContact CE1-CG2 4.41Å; F102-I114 HydrophobicContact CE2-CG2 3.31Å; F102-I114 HydrophobicContact CZ-CG2 3.43Å; F102-I114 VanDerWaalsContact CZ-CG2 3.43Å; F102-I138 HydrophobicContact CD2-CD1 3.94Å; F102-I138 HydrophobicContact CE2-CD1 3.7Å
103G98.6Very high96.4Very high0 Ų061.3 Ų61.30%030%0.304CS..EExtended strand (participates in β ladder)trans-166.1-172.3-170.900000113.1T77 H79 I114 F115T77-G103 CarbonylContact O-C 3.5Å; T77-G103 WeakPolarHBondContact O-CA 3.29Å; H79-G103 VanDerWaalsContact CD2-CA 3.47Å; H79-G103 WeakPolarHBondContact CD2-CA 3.11Å; G103-I114 WeakPolarHBondContact O-CA 3.02Å; G103-F115 PolarHBondContact N-O 3.2Å; G103-F115 VanDerWaalsContact N-O 3.08Å; G103-F115 PolarHBondContact O-N 3.03Å
104T98.6Very high97Very high29 Ų2956.7 Ų56.718%0.17828%0.278CS..EExtended strand (participates in β ladder)trans-119.5146.8167.644.30000110.2C76 T77 H79 T112 H113 I114C76-T104 CarbonylContact C-O 3.56Å; C76-T104 WeakPolarHBondContact CA-O 3.39Å; T77-T104 PolarHBondContact N-O 2.9Å; T77-T104 PolarHBondContact O-N 3.39Å; H79-T104 WeakPolarHBondContact NE2-CG2 3.37Å; H79-T104 PolarHBondContact NE2-OG1 3.39Å; T104-T112 HydrophobicContact CG2-CG2 4.05Å; T104-H113 CarbonylContact C-O 3.58Å; T104-H113 WeakPolarHBondContact CA-O 3.48Å; T104-I114 HydrophobicContact CG2-CG1 3.93Å
105I98.6Very high97.5Very high1 Ų151.6 Ų51.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-132.2134.2176.8-174.8168.3000108.7F33 T75 F107 H113 F115 F135 F137F33-I105 HydrophobicContact CE1-CD1 4.2Å; T75-I105 WeakPolarHBondContact O-CA 3.36Å; I105-F107 HydrophobicContact CD1-CD2 4.39Å; I105-F107 HydrophobicContact CD1-CE1 4.07Å; I105-F107 HydrophobicContact CD1-CE2 3.51Å; I105-F107 HydrophobicContact CD1-CZ 3.33Å; I105-F107 HydrophobicContact CG1-CD2 4.28Å; I105-F107 HydrophobicContact CG1-CE2 3.83Å; I105-F107 HydrophobicContact CG1-CZ 4.07Å; I105-F107 HydrophobicContact CG2-CE2 4.23Å; I105-H113 HydrophobicContact CG2-CB 4.35Å; I105-H113 PolarHBondContact N-O 3.42Å; I105-H113 PolarHBondContact O-N 3.19Å; I105-F115 HydrophobicContact CB-CD1 3.8Å; I105-F115 HydrophobicContact CB-CE1 4.07Å; I105-F115 HydrophobicContact CG2-CB 4.28Å; I105-F115 HydrophobicContact CG2-CD1 3.77Å; I105-F115 HydrophobicContact CG2-CG 4.29Å; I105-F135 HydrophobicContact CD1-CZ 4.39Å; I105-F135 HydrophobicContact CG2-CZ 4.24Å; I105-F137 HydrophobicContact CG2-CD1 4.19Å; I105-F137 HydrophobicContact CG2-CE1 3.63Å
106K98.2Very high97.9Very high115 Ų11551.3 Ų51.350%0.526%0.261SS..EExtended strand (participates in β ladder)trans-119.2114.3174.5-177.1179.2179.2-178.60108.6S74 T75S74-K106 CarbonylContact C-O 3.49Å; S74-K106 VanDerWaalsContact CA-O 3.3Å; S74-K106 WeakPolarHBondContact CA-O 3.28Å; T75-K106 PolarHBondContact N-O 3.3Å; T75-K106 PolarHBondContact O-N 3.37Å
107F97.7Very high98Very high15 Ų1550.8 Ų50.87%0.06626%0.258CS..EExtended strand (participates in β ladder)trans-83.7150.1169.4-70.6-77.7000110.2W53 L71 P72 D73 I105 Q109 H110 F137W53-F107 HydrophobicContact CH2-CZ 4.22Å; W53-F107 HydrophobicContact CZ2-CZ 4.25Å; L71-F107 HydrophobicContact CB-CE1 4.16Å; L71-F107 HydrophobicContact CD1-CE1 4.43Å; P72-F107 HydrophobicContact CB-CB 4.25Å; P72-F107 HydrophobicContact CB-CD1 4.25Å; P72-F107 HydrophobicContact CG-CB 4.46Å; P72-F107 HydrophobicContact CG-CD1 4.48Å; P72-F107 WeakPolarHBondContact O-CD1 3.34Å; D73-F107 CarbonylContact O-C 3.52Å; D73-F107 WeakPolarHBondContact O-CA 3.3Å; I105-F107 HydrophobicContact CD1-CD2 4.39Å; I105-F107 HydrophobicContact CD1-CE1 4.07Å; I105-F107 HydrophobicContact CD1-CE2 3.51Å; I105-F107 HydrophobicContact CD1-CZ 3.33Å; I105-F107 HydrophobicContact CG1-CD2 4.28Å; I105-F107 HydrophobicContact CG1-CE2 3.83Å; I105-F107 HydrophobicContact CG1-CZ 4.07Å; I105-F107 HydrophobicContact CG2-CE2 4.23Å; F107-Q109 PolarHBondContact O-N 2.76Å; F107-H110 HydrophobicContact CB-CB 4.01Å; F107-H110 PolarHBondContact O-N 2.91Å; F107-H110 VanDerWaalsContact O-N 3.09Å; F107-F137 HydrophobicContact CD2-CZ 4.39Å; F107-F137 AromaticContact CE2-CE1 3.98Å; F107-F137 HydrophobicContact CE2-CE1 3.98Å; F107-F137 AromaticContact CE2-CZ 3.7Å; F107-F137 HydrophobicContact CE2-CZ 3.7Å
108E96.8Very high98Very high107 Ų10752.2 Ų52.250%0.527%0.267SS..THydrogen-bonded Turntrans-53.5132.3175.6-156.5-157.1150.300110.3P72 D73 H110P72-E108 HydrophobicContact CB-CB 4.32Å; D73-E108 PolarHBondContact O-N 3Å; E108-H110 PolarHBondContact O-N 3.29Å; E108-H110 VanDerWaalsContact O-N 3.12Å; E108-H110 PolarHBondContact O-ND1 2.84Å
109Q95.5Very high98.1Very high174 Ų17450.5 Ų50.581%0.81326%0.258SS*.THydrogen-bonded Turntrans62.112.9-179.6-55.3168.133.400115.6F107F107-Q109 PolarHBondContact O-N 2.76Å
110H96.1Very high98Very high98 Ų9853.9 Ų53.945%0.45427%0.273SS..SBendtrans-120156.8176.9-65.678.1000111.1F107 E108F107-H110 HydrophobicContact CB-CB 4.01Å; F107-H110 PolarHBondContact O-N 2.91Å; F107-H110 VanDerWaalsContact O-N 3.09Å; E108-H110 PolarHBondContact O-N 3.29Å; E108-H110 VanDerWaalsContact O-N 3.12Å; E108-H110 PolarHBondContact O-ND1 2.84Å
111P96.6Very high98Very high87 Ų8751.1 Ų51.157%0.56526%0.258SS*.  trans-64.5159.8171.727.2-32.8000111.3H113P111-H113 PolarHBondContact O-CD2 3.37Å
112T98Very high97.9Very high83 Ų8351.1 Ų51.151%0.50926%0.258SS..EExtended strand (participates in β ladder)trans-70.6133.9171.4-57.70000109.6T104T104-T112 HydrophobicContact CG2-CG2 4.05Å
113H98.2Very high97.7Very high68 Ų6851.9 Ų51.932%0.31526%0.263SS..EExtended strand (participates in β ladder)trans-114.9146174-67.4-82.1000110.5T104 I105 P111 F137T104-H113 CarbonylContact C-O 3.58Å; T104-H113 WeakPolarHBondContact CA-O 3.48Å; I105-H113 HydrophobicContact CG2-CB 4.35Å; I105-H113 PolarHBondContact N-O 3.42Å; I105-H113 PolarHBondContact O-N 3.19Å; P111-H113 PolarHBondContact O-CD2 3.37Å; H113-F137 HydrophobicContact CB-CD1 3.66Å; H113-F137 HydrophobicContact CB-CE1 4.06Å; H113-F137 HydrophobicContact CB-CG 4.35Å
114I98.6Very high97.5Very high71 Ų7154.5 Ų54.536%0.36428%0.275SS..EExtended strand (participates in β ladder)trans-75.7144.2162.7-62.1172.4000107.3F102 G103 T104 F137 I138F102-I114 HydrophobicContact CD2-CG2 4.2Å; F102-I114 HydrophobicContact CE1-CG2 4.41Å; F102-I114 HydrophobicContact CE2-CG2 3.31Å; F102-I114 HydrophobicContact CZ-CG2 3.43Å; F102-I114 VanDerWaalsContact CZ-CG2 3.43Å; G103-I114 WeakPolarHBondContact O-CA 3.02Å; T104-I114 HydrophobicContact CG2-CG1 3.93Å; I114-F137 WeakPolarHBondContact O-CA 3.35Å; I114-I138 HydrophobicContact CB-CB 4.25Å; I114-I138 HydrophobicContact CG2-CB 3.96Å; I114-I138 HydrophobicContact CG2-CD1 4.13Å; I114-I138 HydrophobicContact CG2-CG1 4.48Å; I114-I138 PolarHBondContact O-N 3.15Å
115F98.7Very high97.1Very high0 Ų058.3 Ų58.30%030%0.303CS..EExtended strand (participates in β ladder)trans-138.5157.6173.879.3-85000111.9Y30 G103 I105 E117 F135 R136 F137Y30-F115 HydrophobicContact CE1-CE2 4.01Å; Y30-F115 AromaticContact CE1-CZ 3.76Å; Y30-F115 HydrophobicContact CE1-CZ 3.76Å; G103-F115 PolarHBondContact N-O 3.2Å; G103-F115 VanDerWaalsContact N-O 3.08Å; G103-F115 PolarHBondContact O-N 3.03Å; I105-F115 HydrophobicContact CB-CD1 3.8Å; I105-F115 HydrophobicContact CB-CE1 4.07Å; I105-F115 HydrophobicContact CG2-CB 4.28Å; I105-F115 HydrophobicContact CG2-CD1 3.77Å; I105-F115 HydrophobicContact CG2-CG 4.29Å; F115-E117 HydrophobicContact CD2-CB 3.97Å; F115-E117 HydrophobicContact CE2-CB 3.8Å; F115-F135 HydrophobicContact CB-CE1 4.25Å; F115-F135 HydrophobicContact CB-CE2 3.9Å; F115-F135 HydrophobicContact CB-CZ 3.56Å; F115-F135 HydrophobicContact CD1-CE2 4.49Å; F115-F135 AromaticContact CD2-CD2 3.91Å; F115-F135 HydrophobicContact CD2-CD2 3.91Å; F115-F135 AromaticContact CD2-CE2 3.3Å; F115-F135 HydrophobicContact CD2-CE2 3.3Å; F115-F135 AromaticContact CD2-CZ 3.91Å; F115-F135 HydrophobicContact CD2-CZ 3.91Å; F115-F135 HydrophobicContact CE2-CD2 4.43Å; F115-F135 AromaticContact CE2-CE2 3.89Å; F115-F135 HydrophobicContact CE2-CE2 3.89Å; F115-F135 AromaticContact CG-CE2 3.66Å; F115-F135 HydrophobicContact CG-CE2 3.66Å; F115-F135 AromaticContact CG-CZ 3.79Å; F115-F135 HydrophobicContact CG-CZ 3.79Å; F115-R136 CarbonylContact C-O 3.6Å; F115-R136 VanDerWaalsContact CA-O 3.27Å; F115-R136 WeakPolarHBondContact CA-O 3.13Å; F115-F137 HydrophobicContact CB-CD1 4.29Å
116S98.5Very high96.6Very high41 Ų4165.3 Ų65.329%0.28734%0.34SS..EExtended strand (participates in β ladder)trans-121.6135.8163175.90000108.9V101 R136V101-S116 VanDerWaalsContact O-CA 3.32Å; V101-S116 WeakPolarHBondContact O-CA 3.35Å; S116-R136 PolarHBondContact N-O 3.36Å; S116-R136 PolarHBondContact O-N 3.09Å
117E98.7Very high96.5Very high4 Ų464.5 Ų64.52%0.01934%0.341CS..EExtended strand (participates in β ladder)trans-133.2129.3176.1-167.2169.8-165.500110.3Y29 Y30 V101 F115 F119 V133 T134 F135Y29-E117 PolarHBondContact OH-OE1 3.49Å; Y30-E117 WeakPolarHBondContact CE1-OE2 3.45Å; Y30-E117 PolarHBondContact OH-OE2 2.93Å; V101-E117 PolarHBondContact N-O 3.42Å; V101-E117 PolarHBondContact O-N 3.3Å; F115-E117 HydrophobicContact CD2-CB 3.97Å; F115-E117 HydrophobicContact CE2-CB 3.8Å; E117-F119 HydrophobicContact CB-CE2 4.26Å; E117-F119 HydrophobicContact CB-CZ 4.43Å; E117-F119 HydrophobicContact CG-CD2 4.44Å; E117-F119 HydrophobicContact CG-CE1 4.08Å; E117-F119 HydrophobicContact CG-CE2 3.74Å; E117-F119 HydrophobicContact CG-CZ 3.54Å; E117-F119 WeakPolarHBondContact OE1-CE1 3.25Å; E117-F119 VanDerWaalsContact OE1-CZ 3.28Å; E117-F119 WeakPolarHBondContact OE1-CZ 3.21Å; E117-F119 WeakPolarHBondContact OE2-CZ 3.36Å; E117-V133 HydrophobicContact CG-CG2 3.7Å; E117-V133 WeakPolarHBondContact OE1-CG2 3.19Å; E117-T134 CarbonylContact C-O 3.55Å; E117-T134 VanDerWaalsContact CA-O 3.29Å; E117-T134 WeakPolarHBondContact CA-O 3.44Å; E117-F135 HydrophobicContact CB-CD2 4.01Å; E117-F135 HydrophobicContact CG-CB 4.19Å; E117-F135 HydrophobicContact CG-CD2 3.98Å
118T98.7Very high96.5Very high30 Ų3066.4 Ų66.418%0.18435%0.348CS..EExtended strand (participates in β ladder)trans-116.2124.1178.5-61.80000109.4L98 V99 N100 F120 V133 T134L98-T118 HydrophobicContact CD1-CG2 3.34Å; V99-T118 CarbonylContact O-C 3.57Å; V99-T118 VanDerWaalsContact O-CA 3.25Å; V99-T118 WeakPolarHBondContact O-CA 3.48Å; N100-T118 WeakPolarHBondContact OD1-CG2 3.35Å; N100-T118 PolarHBondContact OD1-OG1 3.4Å; T118-F120 HydrophobicContact CG2-CE2 4.45Å; T118-V133 CarbonylContact O-C 3.56Å; T118-V133 VanDerWaalsContact O-CA 3.25Å; T118-V133 WeakPolarHBondContact O-CA 3.33Å; T118-T134 PolarHBondContact N-O 3.01Å; T118-T134 PolarHBondContact O-N 2.9Å
119F98.6Very high96.6Very high0 Ų063.6 Ų63.60%033%0.333CS..EExtended strand (participates in β ladder)trans-109143.2173.7-52.3-90.2000110.9F25 Y29 Y30 V99 V101 E117 L121 V130 V133F25-F119 HydrophobicContact CE1-CD1 4.13Å; F25-F119 HydrophobicContact CE1-CE1 4.26Å; F25-F119 HydrophobicContact CE1-CG 4.25Å; Y29-F119 HydrophobicContact CD1-CE1 4.22Å; Y29-F119 AromaticContact CD1-CZ 3.75Å; Y29-F119 HydrophobicContact CD1-CZ 3.75Å; Y29-F119 AromaticContact CE1-CE1 3.78Å; Y29-F119 HydrophobicContact CE1-CE1 3.78Å; Y29-F119 AromaticContact CE1-CZ 3.42Å; Y29-F119 HydrophobicContact CE1-CZ 3.42Å; Y29-F119 VanDerWaalsContact CE1-CZ 3.42Å; Y29-F119 HydrophobicContact CE2-CE1 4.33Å; Y29-F119 AromaticContact CZ-CE1 3.81Å; Y29-F119 AromaticContact CZ-CZ 3.96Å; Y30-F119 HydrophobicContact CE2-CE2 4.45Å; V99-F119 HydrophobicContact CB-CB 4.26Å; V99-F119 HydrophobicContact CB-CD2 4.28Å; V99-F119 HydrophobicContact CG1-CD2 4.35Å; V99-F119 PolarHBondContact N-O 3.48Å; V99-F119 PolarHBondContact O-N 2.9Å; V101-F119 HydrophobicContact CG2-CD2 4.41Å; V101-F119 HydrophobicContact CG2-CE2 4.05Å; E117-F119 HydrophobicContact CB-CE2 4.26Å; E117-F119 HydrophobicContact CB-CZ 4.43Å; E117-F119 HydrophobicContact CG-CD2 4.44Å; E117-F119 HydrophobicContact CG-CE1 4.08Å; E117-F119 HydrophobicContact CG-CE2 3.74Å; E117-F119 HydrophobicContact CG-CZ 3.54Å; E117-F119 WeakPolarHBondContact OE1-CE1 3.25Å; E117-F119 VanDerWaalsContact OE1-CZ 3.28Å; E117-F119 WeakPolarHBondContact OE1-CZ 3.21Å; E117-F119 WeakPolarHBondContact OE2-CZ 3.36Å; F119-L121 HydrophobicContact CB-CD2 3.87Å; F119-L121 HydrophobicContact CB-CG 4.33Å; F119-V130 HydrophobicContact CD1-CG1 4.17Å; F119-V130 HydrophobicContact CD1-CG2 3.77Å; F119-V130 HydrophobicContact CE1-CG2 4.44Å; F119-V133 HydrophobicContact CD1-CB 3.85Å; F119-V133 HydrophobicContact CD1-CG2 3.59Å; F119-V133 HydrophobicContact CE1-CB 4.21Å; F119-V133 HydrophobicContact CE1-CG2 3.54Å; F119-V133 HydrophobicContact CG-CG2 4.4Å; F119-V133 HydrophobicContact CZ-CG2 4.33Å
120F98.1Very high96.7Very high71 Ų7155.3 Ų55.331%0.31129%0.294SS..EExtended strand (participates in β ladder)trans-104.8106158.4-74.1-88.2000108.9V86 V97 L98 T118 Q131 S132V86-F120 HydrophobicContact CG2-CD1 4.13Å; V86-F120 HydrophobicContact CG2-CE1 4.01Å; V97-F120 WeakPolarHBondContact O-CA 3.25Å; L98-F120 HydrophobicContact CB-CE1 4.43Å; L98-F120 HydrophobicContact CD1-CD1 4.3Å; L98-F120 HydrophobicContact CD1-CD2 4.47Å; L98-F120 HydrophobicContact CD1-CE1 3.82Å; L98-F120 HydrophobicContact CD1-CE2 4.01Å; L98-F120 HydrophobicContact CD1-CZ 3.67Å; T118-F120 HydrophobicContact CG2-CE2 4.45Å; F120-Q131 PolarHBondContact O-N 2.96Å; F120-S132 VanDerWaalsContact CD2-OG 3.25Å; F120-S132 WeakPolarHBondContact CD2-OG 3.36Å; F120-S132 PolarHBondContact N-O 2.92Å
121L98.3Very high96.8Very high0 Ų052.1 Ų52.10%028%0.279CS..EExtended strand (participates in β ladder)trans-89.8144.3177.4-51.3-177.6000110.6F25 L96 V97 V99 F119 W128 R129 V130F25-L121 HydrophobicContact CB-CD1 3.71Å; F25-L121 HydrophobicContact CD1-CD1 3.78Å; F25-L121 HydrophobicContact CD1-CD2 3.82Å; F25-L121 HydrophobicContact CD1-CG 4.42Å; F25-L121 HydrophobicContact CD2-CD1 4.02Å; F25-L121 HydrophobicContact CD2-CD2 3.88Å; F25-L121 HydrophobicContact CE1-CD2 3.72Å; F25-L121 HydrophobicContact CE2-CD2 3.72Å; F25-L121 HydrophobicContact CG-CD1 3.53Å; F25-L121 HydrophobicContact CG-CD2 3.95Å; F25-L121 HydrophobicContact CG-CG 4.41Å; F25-L121 HydrophobicContact CZ-CD2 3.7Å; L96-L121 WeakPolarHBondContact CA-O 3.37Å; V97-L121 HydrophobicContact CB-CB 4.27Å; V97-L121 PolarHBondContact N-O 2.87Å; V97-L121 PolarHBondContact O-N 3.37Å; V99-L121 HydrophobicContact CG2-CD1 3.64Å; V99-L121 HydrophobicContact CG2-CG 3.99Å; F119-L121 HydrophobicContact CB-CD2 3.87Å; F119-L121 HydrophobicContact CB-CG 4.33Å; L121-W128 HydrophobicContact CB-CE3 3.94Å; L121-W128 HydrophobicContact CB-CZ3 4.43Å; L121-R129 CarbonylContact C-O 3.56Å; L121-R129 WeakPolarHBondContact CA-O 3.37Å; L121-V130 HydrophobicContact CD2-CB 4.49Å; L121-V130 HydrophobicContact CD2-CG2 3.69Å
122T96.6Very high96.8Very high2 Ų249.6 Ų49.61%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-142168.1169.2-157.60000110.4M46 R94 L95 W128 R129 Q131M46-T122 HydrophobicContact CE-CG2 4.32Å; M46-T122 HydrophobicContact CG-CG2 4.36Å; M46-T122 HydrophobicContact SD-CG2 3.97Å; R94-T122 WeakPolarHBondContact CD-OG1 3.24Å; R94-T122 WeakPolarHBondContact CG-OG1 3.32Å; L95-T122 PolarHBondContact O-OG1 3.44Å; T122-W128 WeakPolarHBondContact O-CA 3.31Å; T122-R129 PolarHBondContact N-O 3.18Å; T122-R129 PolarHBondContact O-N 2.81Å; T122-Q131 HydrophobicContact CG2-CB 4.46Å
123Q94.8Very high96.9Very high94 Ų9445.7 Ų45.744%0.43924%0.24SC..EExtended strand (participates in β ladder)trans-93.5129.9177.3-65.8-172.9-62.100111.1L127 W128Q123-L127 WeakPolarHBondContact CA-O 3.4Å; Q123-W128 HydrophobicContact CG-CD2 3.91Å; Q123-W128 HydrophobicContact CG-CE3 3.76Å; Q123-W128 HydrophobicContact CG-CH2 3.84Å; Q123-W128 HydrophobicContact CG-CZ2 3.94Å; Q123-W128 HydrophobicContact CG-CZ3 3.74Å
124E92.8Very high96.9Very high55 Ų5545.2 Ų45.226%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-130121.4167.5-177.5175.8-111.100108M46 N126 L127 R129M46-E124 HydrophobicContact CE-CB 3.99Å; M46-E124 HydrophobicContact CE-CG 4.18Å; M46-E124 WeakPolarHBondContact CE-OE1 3.38Å; M46-E124 HydrophobicContact SD-CB 3.63Å; M46-E124 HydrophobicContact SD-CG 4.25Å; E124-N126 PolarHBondContact O-N 3.21Å; E124-L127 PolarHBondContact N-O 3.2Å; E124-L127 PolarHBondContact O-N 3.32Å; E124-R129 WeakPolarHBondContact OE2-CD 3.37Å; E124-R129 IonicContact OE2-CZ 3.24Å; E124-R129 VanDerWaalsContact OE2-CZ 3.22Å; E124-R129 IonicContact OE2-NE 3.22Å; E124-R129 PolarHBondContact OE2-NE 3.07Å; E124-R129 IonicContact OE2-NH1 3.36Å; E124-R129 PolarHBondContact OE2-NH1 2.9Å
125S90.3Very high96.9Very high109 Ų10942 Ų4276%0.76223%0.225SC*.THydrogen-bonded Turntrans50.343-176.7-58.10000113.5L127S125-L127 PolarHBondContact O-N 3.45Å
126N89.9Confident96.9Very high147 Ų14748.7 Ų48.779%0.78625%0.25SS*.THydrogen-bonded Turntrans66.411.2-177.4-54.2-45.5000115.8E124E124-N126 PolarHBondContact O-N 3.21Å
127L95.4Very high96.9Very high99 Ų9949.2 Ų49.252%0.51825%0.248SC..EExtended strand (participates in β ladder)trans-108139.8174.3-61.9175.4000110.5Q123 E124 S125 R129Q123-L127 WeakPolarHBondContact CA-O 3.4Å; E124-L127 PolarHBondContact N-O 3.2Å; E124-L127 PolarHBondContact O-N 3.32Å; S125-L127 PolarHBondContact O-N 3.45Å; L127-R129 PolarHBondContact O-N 2.92Å
128W97.9Very high96.7Very high55 Ų5552.4 Ų52.421%0.20826%0.264CS..EExtended strand (participates in β ladder)trans-74.3120.4171-71109.8000110.1T17 A21 F25 L95 V97 L121 T122 Q123T17-W128 HydrophobicContact CG2-CZ2 4.07Å; A21-W128 HydrophobicContact CB-CD2 3.88Å; A21-W128 HydrophobicContact CB-CG 4.26Å; A21-W128 HydrophobicContact CB-CH2 4.2Å; A21-W128 HydrophobicContact CB-CZ2 3.55Å; F25-W128 HydrophobicContact CD2-CB 4.31Å; L95-W128 HydrophobicContact CD2-CH2 3.55Å; L95-W128 HydrophobicContact CD2-CZ2 4.16Å; L95-W128 HydrophobicContact CG-CH2 3.84Å; L95-W128 HydrophobicContact CG-CZ3 4.46Å; V97-W128 HydrophobicContact CB-CZ3 4.48Å; V97-W128 HydrophobicContact CG2-CH2 3.69Å; V97-W128 HydrophobicContact CG2-CZ3 3.79Å; L121-W128 HydrophobicContact CB-CE3 3.94Å; L121-W128 HydrophobicContact CB-CZ3 4.43Å; T122-W128 WeakPolarHBondContact O-CA 3.31Å; Q123-W128 HydrophobicContact CG-CD2 3.91Å; Q123-W128 HydrophobicContact CG-CE3 3.76Å; Q123-W128 HydrophobicContact CG-CH2 3.84Å; Q123-W128 HydrophobicContact CG-CZ2 3.94Å; Q123-W128 HydrophobicContact CG-CZ3 3.74Å
129R98Very high96Very high48 Ų4861.6 Ų61.618%0.18131%0.312CS..EExtended strand (participates in β ladder)trans-129.7151.2179.8-65.6-168.9-177.8-158.5-10.2111.3F44 M46 L121 T122 E124 L127 Q131F44-R129 CarbonylContact O-C 3.5Å; F44-R129 VanDerWaalsContact O-CA 3.29Å; F44-R129 WeakPolarHBondContact O-CA 3.5Å; M46-R129 HydrophobicContact CG-CB 3.93Å; M46-R129 HydrophobicContact SD-CB 3.57Å; M46-R129 VanDerWaalsContact SD-CB 3.57Å; M46-R129 HydrophobicContact SD-CG 4.33Å; L121-R129 CarbonylContact C-O 3.56Å; L121-R129 WeakPolarHBondContact CA-O 3.37Å; T122-R129 PolarHBondContact N-O 3.18Å; T122-R129 PolarHBondContact O-N 2.81Å; E124-R129 WeakPolarHBondContact OE2-CD 3.37Å; E124-R129 IonicContact OE2-CZ 3.24Å; E124-R129 VanDerWaalsContact OE2-CZ 3.22Å; E124-R129 IonicContact OE2-NE 3.22Å; E124-R129 PolarHBondContact OE2-NE 3.07Å; E124-R129 IonicContact OE2-NH1 3.36Å; E124-R129 PolarHBondContact OE2-NH1 2.9Å; L127-R129 PolarHBondContact O-N 2.92Å; R129-Q131 PolarHBondContact O-N 3.29Å
130V98.5Very high95.9Very high0 Ų064.7 Ų64.70%033%0.327CS..EExtended strand (participates in β ladder)trans-80.6117.7178.7178.30000109.5F25 F44 F45 M46 V49 F119 L121 S132 V133F25-V130 HydrophobicContact CE1-CG2 4.02Å; F25-V130 HydrophobicContact CE2-CG2 3.84Å; F25-V130 HydrophobicContact CZ-CG2 3.23Å; F44-V130 PolarHBondContact O-N 2.82Å; F45-V130 HydrophobicContact CD1-CB 3.59Å; F45-V130 HydrophobicContact CD1-CG1 3.92Å; F45-V130 HydrophobicContact CD1-CG2 4.1Å; F45-V130 HydrophobicContact CE1-CB 3.93Å; F45-V130 HydrophobicContact CE1-CG1 3.99Å; F45-V130 HydrophobicContact CE1-CG2 4.06Å; M46-V130 WeakPolarHBondContact CG-O 3.28Å; M46-V130 PolarHBondContact N-O 3.24Å; V49-V130 HydrophobicContact CG2-CG1 4.07Å; F119-V130 HydrophobicContact CD1-CG1 4.17Å; F119-V130 HydrophobicContact CD1-CG2 3.77Å; F119-V130 HydrophobicContact CE1-CG2 4.44Å; L121-V130 HydrophobicContact CD2-CB 4.49Å; L121-V130 HydrophobicContact CD2-CG2 3.69Å; V130-S132 WeakPolarHBondContact CG1-O 3.3Å; V130-V133 HydrophobicContact CG1-CB 3.82Å; V130-V133 HydrophobicContact CG1-CG1 3.99Å
131Q97.4Very high95.7Very high30 Ų3064.3 Ų64.314%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-82.1-38.2169.8-18066.190.600111.4M46 N48 V49 V50 F120 T122 R129M46-Q131 HydrophobicContact CG-CB 4.45Å; N48-Q131 PolarHBondContact OD1-NE2 2.85Å; V49-Q131 WeakPolarHBondContact CA-O 3.38Å; V50-Q131 PolarHBondContact N-O 3Å; F120-Q131 PolarHBondContact O-N 2.96Å; T122-Q131 HydrophobicContact CG2-CB 4.46Å; R129-Q131 PolarHBondContact O-N 3.29Å
132S98.1Very high95.6Very high35 Ų3567.9 Ų67.925%0.24535%0.346CS..EExtended strand (participates in β ladder)trans-152.7149.9173.358.40000111.1V50 F120 V130V50-S132 CarbonylContact O-C 3.58Å; V50-S132 VanDerWaalsContact O-CA 3.23Å; V50-S132 WeakPolarHBondContact O-CA 3.45Å; F120-S132 VanDerWaalsContact CD2-OG 3.25Å; F120-S132 WeakPolarHBondContact CD2-OG 3.36Å; F120-S132 PolarHBondContact N-O 2.92Å; V130-S132 WeakPolarHBondContact CG1-O 3.3Å
133V98.7Very high95.5Very high1 Ų171.8 Ų71.81%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-140.2137.6179520000110.6F45 V49 V50 L51 L52 E117 T118 F119 V130F45-V133 HydrophobicContact CE1-CG1 4.21Å; V49-V133 HydrophobicContact CG2-CG1 4.48Å; V50-V133 PolarHBondContact O-N 2.84Å; L51-V133 CarbonylContact C-O 3.53Å; L51-V133 WeakPolarHBondContact CA-O 3.43Å; L51-V133 HydrophobicContact CB-CG1 4.1Å; L51-V133 HydrophobicContact CD1-CG1 3.64Å; L51-V133 HydrophobicContact CD1-CG2 4.48Å; L51-V133 HydrophobicContact CG-CG1 4.48Å; L52-V133 PolarHBondContact N-O 3.07Å; E117-V133 HydrophobicContact CG-CG2 3.7Å; E117-V133 WeakPolarHBondContact OE1-CG2 3.19Å; T118-V133 CarbonylContact O-C 3.56Å; T118-V133 VanDerWaalsContact O-CA 3.25Å; T118-V133 WeakPolarHBondContact O-CA 3.33Å; F119-V133 HydrophobicContact CD1-CB 3.85Å; F119-V133 HydrophobicContact CD1-CG2 3.59Å; F119-V133 HydrophobicContact CE1-CB 4.21Å; F119-V133 HydrophobicContact CE1-CG2 3.54Å; F119-V133 HydrophobicContact CG-CG2 4.4Å; F119-V133 HydrophobicContact CZ-CG2 4.33Å; V130-V133 HydrophobicContact CG1-CB 3.82Å; V130-V133 HydrophobicContact CG1-CG1 3.99Å
134T98.8Very high95.6Very high57 Ų5770.4 Ų70.435%0.3536%0.361SS..EExtended strand (participates in β ladder)trans-121.7118.4172-61.80000108.9L52 E117 T118L52-T134 HydrophobicContact CB-CG2 4.2Å; L52-T134 HydrophobicContact CD2-CG2 3.96Å; L52-T134 HydrophobicContact CG-CG2 4.39Å; L52-T134 CarbonylContact O-C 3.55Å; L52-T134 WeakPolarHBondContact O-CA 3.35Å; E117-T134 CarbonylContact C-O 3.55Å; E117-T134 VanDerWaalsContact CA-O 3.29Å; E117-T134 WeakPolarHBondContact CA-O 3.44Å; T118-T134 PolarHBondContact N-O 3.01Å; T118-T134 PolarHBondContact O-N 2.9Å
135F98.8Very high95.8Very high4 Ų471.4 Ų71.42%0.01837%0.368CS..EExtended strand (participates in β ladder)trans-111.7135.5176.5-179.2-79.4000109.5L52 W53 N54 I105 F115 E117 F137L52-F135 PolarHBondContact O-N 3.46Å; W53-F135 HydrophobicContact CD2-CB 4.33Å; W53-F135 AromaticContact CD2-CD1 3.82Å; W53-F135 HydrophobicContact CD2-CD1 3.82Å; W53-F135 HydrophobicContact CD2-CG 4.25Å; W53-F135 AromaticContact CE2-CD1 3.91Å; W53-F135 HydrophobicContact CE3-CB 3.59Å; W53-F135 AromaticContact CE3-CD1 3.63Å; W53-F135 HydrophobicContact CE3-CD1 3.63Å; W53-F135 HydrophobicContact CE3-CD2 4.33Å; W53-F135 HydrophobicContact CE3-CE1 4.43Å; W53-F135 AromaticContact CE3-CG 3.59Å; W53-F135 HydrophobicContact CE3-CG 3.59Å; W53-F135 AromaticContact CH2-CD1 3.64Å; W53-F135 HydrophobicContact CH2-CD1 3.64Å; W53-F135 HydrophobicContact CH2-CD2 4.11Å; W53-F135 AromaticContact CH2-CE1 3.61Å; W53-F135 HydrophobicContact CH2-CE1 3.61Å; W53-F135 HydrophobicContact CH2-CE2 4.07Å; W53-F135 AromaticContact CH2-CG 3.92Å; W53-F135 HydrophobicContact CH2-CG 3.92Å; W53-F135 AromaticContact CH2-CZ 3.83Å; W53-F135 HydrophobicContact CH2-CZ 3.83Å; W53-F135 AromaticContact CZ2-CD1 3.84Å; W53-F135 HydrophobicContact CZ2-CD1 3.84Å; W53-F135 AromaticContact CZ2-CE1 3.73Å; W53-F135 HydrophobicContact CZ2-CE1 3.73Å; W53-F135 HydrophobicContact CZ2-CZ 4.31Å; W53-F135 HydrophobicContact CZ3-CB 3.86Å; W53-F135 AromaticContact CZ3-CD1 3.53Å; W53-F135 HydrophobicContact CZ3-CD1 3.53Å; W53-F135 AromaticContact CZ3-CD2 3.71Å; W53-F135 HydrophobicContact CZ3-CD2 3.71Å; W53-F135 AromaticContact CZ3-CE1 3.99Å; W53-F135 HydrophobicContact CZ3-CE1 3.99Å; W53-F135 HydrophobicContact CZ3-CE2 4.13Å; W53-F135 AromaticContact CZ3-CG 3.4Å; W53-F135 HydrophobicContact CZ3-CG 3.4Å; W53-F135 HydrophobicContact CZ3-CZ 4.26Å; N54-F135 PolarHBondContact N-O 2.87Å; I105-F135 HydrophobicContact CD1-CZ 4.39Å; I105-F135 HydrophobicContact CG2-CZ 4.24Å; F115-F135 HydrophobicContact CB-CE1 4.25Å; F115-F135 HydrophobicContact CB-CE2 3.9Å; F115-F135 HydrophobicContact CB-CZ 3.56Å; F115-F135 HydrophobicContact CD1-CE2 4.49Å; F115-F135 AromaticContact CD2-CD2 3.91Å; F115-F135 HydrophobicContact CD2-CD2 3.91Å; F115-F135 AromaticContact CD2-CE2 3.3Å; F115-F135 HydrophobicContact CD2-CE2 3.3Å; F115-F135 AromaticContact CD2-CZ 3.91Å; F115-F135 HydrophobicContact CD2-CZ 3.91Å; F115-F135 HydrophobicContact CE2-CD2 4.43Å; F115-F135 AromaticContact CE2-CE2 3.89Å; F115-F135 HydrophobicContact CE2-CE2 3.89Å; F115-F135 AromaticContact CG-CE2 3.66Å; F115-F135 HydrophobicContact CG-CE2 3.66Å; F115-F135 AromaticContact CG-CZ 3.79Å; F115-F135 HydrophobicContact CG-CZ 3.79Å; E117-F135 HydrophobicContact CB-CD2 4.01Å; E117-F135 HydrophobicContact CG-CB 4.19Å; E117-F135 HydrophobicContact CG-CD2 3.98Å; F135-F137 AromaticContact CE1-CD1 3.72Å; F135-F137 HydrophobicContact CE1-CD1 3.72Å; F135-F137 AromaticContact CE1-CE1 3.51Å; F135-F137 HydrophobicContact CE1-CE1 3.51Å; F135-F137 HydrophobicContact CE1-CE2 4.38Å; F135-F137 HydrophobicContact CE1-CG 4.24Å; F135-F137 AromaticContact CE1-CZ 3.87Å; F135-F137 HydrophobicContact CE1-CZ 3.87Å; F135-F137 HydrophobicContact CZ-CD1 4.01Å; F135-F137 AromaticContact CZ-CE1 3.67Å; F135-F137 HydrophobicContact CZ-CE1 3.67Å; F135-F137 HydrophobicContact CZ-CZ 4.33Å
136R98.5Very high96.2Very high140 Ų14068.7 Ų68.753%0.52834%0.34SS..EExtended strand (participates in β ladder)trans-145131.5176.3177.4169.5-66.9172.20.4111.5N54 F115 S116N54-R136 WeakPolarHBondContact OD1-CA 3.14Å; F115-R136 CarbonylContact C-O 3.6Å; F115-R136 VanDerWaalsContact CA-O 3.27Å; F115-R136 WeakPolarHBondContact CA-O 3.13Å; S116-R136 PolarHBondContact N-O 3.36Å; S116-R136 PolarHBondContact O-N 3.09Å
137F98.2Very high96.6Very high53 Ų5362.7 Ų62.723%0.23231%0.306CS..EExtended strand (participates in β ladder)trans-69.7142.1163.3-61.6-54.4000110.3W53 N54 I105 F107 H113 I114 F115 F135W53-F137 HydrophobicContact CZ2-CZ 4.23Å; N54-F137 WeakPolarHBondContact ND2-CD2 3.29Å; N54-F137 VanDerWaalsContact ND2-CE2 3.31Å; N54-F137 WeakPolarHBondContact ND2-CE2 3.41Å; N54-F137 PolarHBondContact OD1-N 3.2Å; I105-F137 HydrophobicContact CG2-CD1 4.19Å; I105-F137 HydrophobicContact CG2-CE1 3.63Å; F107-F137 HydrophobicContact CD2-CZ 4.39Å; F107-F137 AromaticContact CE2-CE1 3.98Å; F107-F137 HydrophobicContact CE2-CE1 3.98Å; F107-F137 AromaticContact CE2-CZ 3.7Å; F107-F137 HydrophobicContact CE2-CZ 3.7Å; H113-F137 HydrophobicContact CB-CD1 3.66Å; H113-F137 HydrophobicContact CB-CE1 4.06Å; H113-F137 HydrophobicContact CB-CG 4.35Å; I114-F137 WeakPolarHBondContact O-CA 3.35Å; F115-F137 HydrophobicContact CB-CD1 4.29Å; F135-F137 AromaticContact CE1-CD1 3.72Å; F135-F137 HydrophobicContact CE1-CD1 3.72Å; F135-F137 AromaticContact CE1-CE1 3.51Å; F135-F137 HydrophobicContact CE1-CE1 3.51Å; F135-F137 HydrophobicContact CE1-CE2 4.38Å; F135-F137 HydrophobicContact CE1-CG 4.24Å; F135-F137 AromaticContact CE1-CZ 3.87Å; F135-F137 HydrophobicContact CE1-CZ 3.87Å; F135-F137 HydrophobicContact CZ-CD1 4.01Å; F135-F137 AromaticContact CZ-CE1 3.67Å; F135-F137 HydrophobicContact CZ-CE1 3.67Å; F135-F137 HydrophobicContact CZ-CZ 4.33Å
138I95.6Very high96.7Very high70 Ų7059.7 Ų59.736%0.35929%0.288SS..EExtended strand (participates in β ladder)trans-108.6111.4174.8-59.5172000106.1F102 I114F102-I138 HydrophobicContact CD2-CD1 3.94Å; F102-I138 HydrophobicContact CE2-CD1 3.7Å; I114-I138 HydrophobicContact CB-CB 4.25Å; I114-I138 HydrophobicContact CG2-CB 3.96Å; I114-I138 HydrophobicContact CG2-CD1 4.13Å; I114-I138 HydrophobicContact CG2-CG1 4.48Å; I114-I138 PolarHBondContact O-N 3.15Å
139D82.6Confident96.6Very high223 Ų22360.1 Ų60.1100%1.19330%0.296SS*.  trans-890175.150.8-24.4000112.7

Retrieved 139 of 139 residues in 124.2 ms (Link to these results)