A0A060VQW1_ONCMY Loading...

Large ribosomal subunit protein uL24m

AlphaFold DB , UniProt , Accession A0A060VQW1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mrpl24, Length 216 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
1M44.4Very low44.8Very low237 Ų237129.1 Ų129.1100%1.16771%0.714SS**  01220-73.8-172.1-100.400108.4L3M1-L3 PolarHBondContact O-N 3.24Å
2R39.8Very low46.5Very low215 Ų215135.7 Ų135.781%0.81173%0.73SS**  trans-71.5125.4-170.4-65.8-177.2176.5177.6-1.1110.6T4 A5R2-T4 WeakPolarHBondContact CB-OG1 3.48Å; R2-T4 PolarHBondContact O-N 3Å; R2-A5 PolarHBondContact O-N 3.15Å
3L43.7Very low48.4Very low145 Ų145128.9 Ų128.976%0.75970%0.704SS**Hα-helixtrans-46.5-26.6175.1-83157.3000113.8M1 A5 I6 L7M1-L3 PolarHBondContact O-N 3.24Å; L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 3.39Å; L3-I6 PolarHBondContact O-N 3.32Å; L3-L7 PolarHBondContact O-N 3.39Å; L3-L7 VanDerWaalsContact O-N 3.16Å
4T47.9Very low50.4Low104 Ų104127 Ų12764%0.63871%0.714SS**Hα-helixtrans-62.6-30.917753.10000114.1R2 S8R2-T4 WeakPolarHBondContact CB-OG1 3.48Å; R2-T4 PolarHBondContact O-N 3Å; T4-S8 WeakPolarHBondContact O-CB 3.2Å; T4-S8 PolarHBondContact O-N 3.25Å
5A43.8Very low52.4Low55 Ų55123.7 Ų123.746%0.45569%0.689SS.*Hα-helixtrans-73.5-37.2178.600000111.8R2 L3 S8 M9R2-A5 PolarHBondContact O-N 3.15Å; L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 3.39Å; A5-S8 PolarHBondContact O-N 2.88Å; A5-S8 PolarHBondContact O-OG 3.46Å; A5-M9 PolarHBondContact O-N 2.69Å
6I42.4Very low54.4Low117 Ų117121.6 Ų121.660%0.668%0.682SS**Hα-helixtrans-71.7-41.7-179.9-59.2173.7000110.1L3 S8 M9 A10L3-I6 PolarHBondContact O-N 3.32Å; I6-S8 VanDerWaalsContact C-N 3.27Å; I6-S8 PolarHBondContact O-N 2.59Å; I6-M9 PolarHBondContact O-N 3.3Å; I6-M9 VanDerWaalsContact O-N 3.12Å; I6-A10 PolarHBondContact O-N 3.04Å
7L39.2Very low56Low136 Ų136127 Ų12771%0.71270%0.697SS**Hα-helixtrans-63-34.3174.9-139.2100.7000112.3L3 M9 A10 A11L3-L7 PolarHBondContact O-N 3.39Å; L3-L7 VanDerWaalsContact O-N 3.16Å; L7-M9 VanDerWaalsContact C-N 3.29Å; L7-M9 PolarHBondContact O-N 3.28Å; L7-A10 PolarHBondContact O-N 3.17Å; L7-A11 PolarHBondContact O-N 2.49Å
8S44.7Very low57.6Low85 Ų85126.2 Ų126.259%0.59469%0.692SS**Hα-helixtrans-70.4-23.2176.881.80000113.6T4 A5 I6T4-S8 WeakPolarHBondContact O-CB 3.2Å; T4-S8 PolarHBondContact O-N 3.25Å; A5-S8 PolarHBondContact O-N 2.88Å; A5-S8 PolarHBondContact O-OG 3.46Å; I6-S8 VanDerWaalsContact C-N 3.27Å; I6-S8 PolarHBondContact O-N 2.59Å
9M44.4Very low59.4Low174 Ų174121.1 Ų121.186%0.85766%0.661SS**Hα-helixtrans-80-26.3172-69.5-156.217900112.8A5 I6 L7A5-M9 PolarHBondContact O-N 2.69Å; I6-M9 PolarHBondContact O-N 3.3Å; I6-M9 VanDerWaalsContact O-N 3.12Å; L7-M9 VanDerWaalsContact C-N 3.29Å; L7-M9 PolarHBondContact O-N 3.28Å
10A45.5Very low61Low85 Ų85120.3 Ų120.370%0.70265%0.648SS**Hα-helixtrans-86.6-18.3-179.600000113.9I6 L7 K12I6-A10 PolarHBondContact O-N 3.04Å; L7-A10 PolarHBondContact O-N 3.17Å; A10-K12 PolarHBondContact O-N 3.41Å
11A57.3Low62.5Low67 Ų67117.7 Ų117.755%0.55463%0.63SS**SBendtrans-71.4116.317800000111.2L7 A13L7-A11 PolarHBondContact O-N 2.49Å; A11-A13 PolarHBondContact O-N 3.16Å
12K64.3Low64.8Low208 Ų208107.8 Ų107.890%0.90459%0.588SS**  trans-59.6108171.2-170172.8-177176.20108.5A10 A14A10-K12 PolarHBondContact O-N 3.41Å; K12-A14 PolarHBondContact O-N 3.42Å; K12-A14 VanDerWaalsContact O-N 3.1Å
13A71.3Confident67.4Low48 Ų48100.8 Ų100.840%0.39757%0.569SS.*  trans-62.4116.4-179.800000109.9A11 F15A11-A13 PolarHBondContact O-N 3.16Å; A13-F15 HydrophobicContact CB-CE1 4.02Å; A13-F15 HydrophobicContact CB-CE2 3.59Å; A13-F15 HydrophobicContact CB-CZ 3.27Å; A13-F15 WeakPolarHBondContact O-CD2 3.37Å; A13-F15 WeakPolarHBondContact O-CE2 3.16Å
14A76.5Confident69.7Low102 Ų10295.8 Ų95.884%0.84355%0.546SS*.  trans-82.6117174.800000109.3K12K12-A14 PolarHBondContact O-N 3.42Å; K12-A14 VanDerWaalsContact O-N 3.1Å
15F80.8Confident71.8Confident77 Ų7796.2 Ų96.234%0.33854%0.536SS..  trans-105142.5177.2-58.3-68.9000110.4A13 Y19 P26A13-F15 HydrophobicContact CB-CE1 4.02Å; A13-F15 HydrophobicContact CB-CE2 3.59Å; A13-F15 HydrophobicContact CB-CZ 3.27Å; A13-F15 WeakPolarHBondContact O-CD2 3.37Å; A13-F15 WeakPolarHBondContact O-CE2 3.16Å; F15-Y19 HydrophobicContact CB-CD2 4.49Å; F15-Y19 HydrophobicContact CB-CG 4.31Å; F15-Y19 HydrophobicContact CD1-CD2 4.22Å; F15-Y19 HydrophobicContact CD1-CE2 4.23Å; F15-P26 HydrophobicContact CD1-CB 4.05Å; F15-P26 HydrophobicContact CE1-CB 3.33Å; F15-P26 HydrophobicContact CE2-CB 3.92Å; F15-P26 HydrophobicContact CZ-CB 3.27Å; F15-P26 HydrophobicContact CZ-CG 4.31Å
16P84.5Confident73.9Confident90 Ų9094.5 Ų94.558%0.58452%0.521SS*.  trans-55.5148.9171.1-23.733.2000111.5D18 Y19P16-D18 PolarHBondContact O-N 3.26Å; P16-D18 VanDerWaalsContact O-N 3.16Å; P16-Y19 VanDerWaalsContact O-CB 3.28Å; P16-Y19 WeakPolarHBondContact O-CB 3.29Å; P16-Y19 PolarHBondContact O-N 3.42Å
17K81.6Confident76Confident214 Ų21494.8 Ų94.893%0.9351%0.514SS*.THydrogen-bonded Turntrans-54.1-36.5177.1-68.4-175.8178.5-1790112.4Y19K17-Y19 VanDerWaalsContact C-N 3.35Å; K17-Y19 PolarHBondContact O-N 3.04Å
18D85.3Confident78.5Confident113 Ų11390.4 Ų90.460%0.60449%0.493SS*.THydrogen-bonded Turntrans-9628.3-179.6-58.3-46.6000113.5P16 R20P16-D18 PolarHBondContact O-N 3.26Å; P16-D18 VanDerWaalsContact O-N 3.16Å; D18-R20 PolarHBondContact O-N 2.93Å
19Y90.3Very high80.7Confident29 Ų2993.5 Ų93.511%0.11450%0.501CS..  trans-61.5123.3177.8-175.9-95.3000111.6F15 P16 K17 Y21 P26 N35F15-Y19 HydrophobicContact CB-CD2 4.49Å; F15-Y19 HydrophobicContact CB-CG 4.31Å; F15-Y19 HydrophobicContact CD1-CD2 4.22Å; F15-Y19 HydrophobicContact CD1-CE2 4.23Å; P16-Y19 VanDerWaalsContact O-CB 3.28Å; P16-Y19 WeakPolarHBondContact O-CB 3.29Å; P16-Y19 PolarHBondContact O-N 3.42Å; K17-Y19 VanDerWaalsContact C-N 3.35Å; K17-Y19 PolarHBondContact O-N 3.04Å; Y19-Y21 AromaticContact CD1-CD1 3.87Å; Y19-Y21 HydrophobicContact CD1-CD1 3.87Å; Y19-Y21 HydrophobicContact CD1-CD2 4.05Å; Y19-Y21 AromaticContact CD1-CE1 3.84Å; Y19-Y21 HydrophobicContact CD1-CE1 3.84Å; Y19-Y21 HydrophobicContact CD1-CE2 4.03Å; Y19-Y21 AromaticContact CD1-CG 3.96Å; Y19-Y21 HydrophobicContact CD1-CG 3.96Å; Y19-Y21 AromaticContact CD1-CZ 3.93Å; Y19-Y21 AromaticContact CE1-CD1 3.88Å; Y19-Y21 HydrophobicContact CE1-CD1 3.88Å; Y19-Y21 HydrophobicContact CE1-CE1 4.11Å; Y19-Y21 HydrophobicContact CE1-CG 4.21Å; Y19-Y21 WeakPolarHBondContact O-CD2 3.29Å; Y19-Y21 PolarHBondContact O-N 3.44Å; Y19-P26 HydrophobicContact CE1-CB 4.01Å; Y19-P26 HydrophobicContact CE1-CG 4Å; Y19-P26 WeakPolarHBondContact OH-CA 3.28Å; Y19-N35 HydrophobicContact CD2-CB 4.47Å; Y19-N35 HydrophobicContact CE2-CB 3.76Å; Y19-N35 PolarHBondContact OH-ND2 3.38Å
20R91.9Very high83Confident105 Ų10587.7 Ų87.740%0.39648%0.481SS..  trans-84.4100.2177-173.6172.3177.8166.3-4.7110.6D18 N35D18-R20 PolarHBondContact O-N 2.93Å; R20-N35 PolarHBondContact O-ND2 3.1Å
21Y92.7Very high85.2Confident66 Ų6683.7 Ų83.726%0.25945%0.448SS..  trans-61.2135.3173.7-65.8-86.3000111.7Y19 P26 H82 R83Y19-Y21 AromaticContact CD1-CD1 3.87Å; Y19-Y21 HydrophobicContact CD1-CD1 3.87Å; Y19-Y21 HydrophobicContact CD1-CD2 4.05Å; Y19-Y21 AromaticContact CD1-CE1 3.84Å; Y19-Y21 HydrophobicContact CD1-CE1 3.84Å; Y19-Y21 HydrophobicContact CD1-CE2 4.03Å; Y19-Y21 AromaticContact CD1-CG 3.96Å; Y19-Y21 HydrophobicContact CD1-CG 3.96Å; Y19-Y21 AromaticContact CD1-CZ 3.93Å; Y19-Y21 AromaticContact CE1-CD1 3.88Å; Y19-Y21 HydrophobicContact CE1-CD1 3.88Å; Y19-Y21 HydrophobicContact CE1-CE1 4.11Å; Y19-Y21 HydrophobicContact CE1-CG 4.21Å; Y19-Y21 WeakPolarHBondContact O-CD2 3.29Å; Y19-Y21 PolarHBondContact O-N 3.44Å; Y21-P26 HydrophobicContact CD1-CG 4.05Å; Y21-P26 HydrophobicContact CE1-CG 3.86Å; Y21-H82 HydrophobicContact CD1-CB 4.32Å; Y21-H82 HydrophobicContact CD2-CB 3.64Å; Y21-H82 AromaticContact CD2-CG 3.97Å; Y21-H82 HydrophobicContact CE2-CB 4.04Å; Y21-H82 AromaticContact CE2-CD2 3.62Å; Y21-H82 AromaticContact CE2-CG 3.92Å; Y21-H82 HydrophobicContact CG-CB 3.8Å; Y21-H82 AromaticContact CZ-CD2 3.56Å; Y21-H82 AromaticContact CZ-CG 3.97Å; Y21-H82 AromaticContact CZ-NE2 3.86Å; Y21-R83 WeakPolarHBondContact O-CD 3.49Å; Y21-R83 PolarHBondContact O-NH1 3.33Å; Y21-R83 VanDerWaalsContact O-NH1 3.12Å
22G93.3Very high86.8Confident28 Ų2886.9 Ų86.929%0.28945%0.449SS..  trans-117.5-164.2171.600000110.7
23T93.4Very high88.1Confident68 Ų6887.5 Ų87.542%0.41745%0.446SS..SBendtrans-74.3-31.4173.750.90000112.1F80 I87 P114T23-F80 VanDerWaalsContact O-CE1 3.26Å; T23-F80 WeakPolarHBondContact O-CE1 3.29Å; T23-F80 WeakPolarHBondContact O-CZ 3.22Å; T23-I87 HydrophobicContact CG2-CD1 4.16Å; T23-P114 HydrophobicContact CG2-CG 4.14Å
24S92.9Very high89.1Confident41 Ų4189.8 Ų89.829%0.28745%0.451SS..SBendtrans-73.5139.5175.3-55.50000112
25R90.6Very high89.8Confident113 Ų11386.5 Ų86.543%0.42642%0.419SS..  trans-59.8138.8173.9-75.7166.2167.6-165.26.1110.8W27 T28 A31R25-W27 VanDerWaalsContact C-N 3.28Å; R25-W27 HydrophobicContact CB-CD2 4.19Å; R25-W27 HydrophobicContact CB-CE3 4.37Å; R25-W27 HydrophobicContact CB-CH2 4.02Å; R25-W27 HydrophobicContact CB-CZ2 3.85Å; R25-W27 HydrophobicContact CB-CZ3 4.29Å; R25-W27 VanDerWaalsContact CD-CZ2 3.45Å; R25-W27 HydrophobicContact CG-CH2 3.97Å; R25-W27 HydrophobicContact CG-CZ2 3.91Å; R25-W27 PolarHBondContact O-N 3.49Å; R25-W27 VanDerWaalsContact O-N 3.11Å; R25-T28 HydrophobicContact CB-CG2 3.85Å; R25-T28 WeakPolarHBondContact O-CB 3.33Å; R25-T28 WeakPolarHBondContact O-CG2 3.19Å; R25-T28 PolarHBondContact O-N 2.87Å; R25-T28 PolarHBondContact O-OG1 3.44Å; R25-A31 WeakPolarHBondContact O-CB 3.43Å
26P89.4Confident90.2Very high19 Ų1985.5 Ų85.512%0.12342%0.421CS..THydrogen-bonded Turntrans-57.8-31-170-3137.4000116.5F15 Y19 Y21 T28F15-P26 HydrophobicContact CD1-CB 4.05Å; F15-P26 HydrophobicContact CE1-CB 3.33Å; F15-P26 HydrophobicContact CE2-CB 3.92Å; F15-P26 HydrophobicContact CZ-CB 3.27Å; F15-P26 HydrophobicContact CZ-CG 4.31Å; Y19-P26 HydrophobicContact CE1-CB 4.01Å; Y19-P26 HydrophobicContact CE1-CG 4Å; Y19-P26 WeakPolarHBondContact OH-CA 3.28Å; Y21-P26 HydrophobicContact CD1-CG 4.05Å; Y21-P26 HydrophobicContact CE1-CG 3.86Å; P26-T28 VanDerWaalsContact C-N 3.32Å; P26-T28 PolarHBondContact O-N 2.92Å
27W85.6Confident90.4Very high122 Ų12287.5 Ų87.546%0.46243%0.434SS..THydrogen-bonded Turntrans-82-5.718056.992.3000114.3R25 R162R25-W27 VanDerWaalsContact C-N 3.28Å; R25-W27 HydrophobicContact CB-CD2 4.19Å; R25-W27 HydrophobicContact CB-CE3 4.37Å; R25-W27 HydrophobicContact CB-CH2 4.02Å; R25-W27 HydrophobicContact CB-CZ2 3.85Å; R25-W27 HydrophobicContact CB-CZ3 4.29Å; R25-W27 VanDerWaalsContact CD-CZ2 3.45Å; R25-W27 HydrophobicContact CG-CH2 3.97Å; R25-W27 HydrophobicContact CG-CZ2 3.91Å; R25-W27 PolarHBondContact O-N 3.49Å; R25-W27 VanDerWaalsContact O-N 3.11Å; W27-R162 VanDerWaalsContact CH2-NH2 3.3Å
28T91.1Very high90.7Very high45 Ų4581 Ų8128%0.27643%0.428SS..SBendtrans-73.6152.7-179.261.80000112.2R25 P26 A30 A31 K32R25-T28 HydrophobicContact CB-CG2 3.85Å; R25-T28 WeakPolarHBondContact O-CB 3.33Å; R25-T28 WeakPolarHBondContact O-CG2 3.19Å; R25-T28 PolarHBondContact O-N 2.87Å; R25-T28 PolarHBondContact O-OG1 3.44Å; P26-T28 VanDerWaalsContact C-N 3.32Å; P26-T28 PolarHBondContact O-N 2.92Å; T28-A30 PolarHBondContact O-N 3.45Å; T28-A31 PolarHBondContact O-N 3.33Å; T28-A31 VanDerWaalsContact O-N 3.12Å; T28-A31 WeakPolarHBondContact OG1-CB 3.27Å; T28-A31 PolarHBondContact OG1-N 3.05Å; T28-K32 WeakPolarHBondContact O-CG 3.23Å; T28-K32 PolarHBondContact O-N 3.46Å
29I92Very high90.8Very high149 Ų14981.4 Ų81.476%0.76442%0.424SS*.Hα-helixtrans-57.3-40.7176.2-62.8168.8000110.9A31 K32 R33I29-A31 PolarHBondContact O-N 2.93Å; I29-K32 PolarHBondContact O-N 3.32Å; I29-R33 WeakPolarHBondContact O-CB 3.33Å; I29-R33 PolarHBondContact O-N 2.92Å
30A92.2Very high90.7Very high52 Ų5289.8 Ų89.843%0.4346%0.461SS..Hα-helixtrans-60.3-44.8176.500000112.3T28 R33 L34T28-A30 PolarHBondContact O-N 3.45Å; A30-R33 PolarHBondContact O-N 3.49Å; A30-L34 WeakPolarHBondContact O-CG 3.38Å; A30-L34 PolarHBondContact O-N 3.07Å
31A91.9Very high90.5Very high2 Ų289.4 Ų89.42%0.01746%0.46CS..Hα-helixtrans-66.4-41.5177.500000112.1R25 T28 I29 R33 L34 N35R25-A31 WeakPolarHBondContact O-CB 3.43Å; T28-A31 PolarHBondContact O-N 3.33Å; T28-A31 VanDerWaalsContact O-N 3.12Å; T28-A31 WeakPolarHBondContact OG1-CB 3.27Å; T28-A31 PolarHBondContact OG1-N 3.05Å; I29-A31 PolarHBondContact O-N 2.93Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 3.24Å; A31-L34 PolarHBondContact O-N 3.29Å; A31-N35 WeakPolarHBondContact O-CB 3.39Å; A31-N35 PolarHBondContact O-N 3.33Å
32K90.7Very high90.4Very high133 Ų13397.4 Ų97.458%0.57849%0.489SS*.Hα-helixtrans-61-39.8174.4-69-179.5-177.5-177.40112.1T28 I29 N35 P36T28-K32 WeakPolarHBondContact O-CG 3.23Å; T28-K32 PolarHBondContact O-N 3.46Å; I29-K32 PolarHBondContact O-N 3.32Å; K32-N35 CarbonylContact O-C 3.52Å; K32-N35 PolarHBondContact O-N 3.39Å; K32-P36 WeakPolarHBondContact O-CA 3.35Å; K32-P36 VanDerWaalsContact O-N 3.13Å
33R92.1Very high90.2Very high221 Ų221102.5 Ų102.583%0.83450%0.504SS*.Hα-helixtrans-65.6-38.8176-173.2177.5179.9178.31.1112.4I29 A30 A31I29-R33 WeakPolarHBondContact O-CB 3.33Å; I29-R33 PolarHBondContact O-N 2.92Å; A30-R33 PolarHBondContact O-N 3.49Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 3.24Å
34L91.3Very high90Very high97 Ų97101.7 Ų101.751%0.50850%0.498SS..Hα-helixtrans-73.4-37.3177.9-72170.9000112.6A30 A31 P36 R41A30-L34 WeakPolarHBondContact O-CG 3.38Å; A30-L34 PolarHBondContact O-N 3.07Å; A31-L34 PolarHBondContact O-N 3.29Å; L34-P36 VanDerWaalsContact C-CD 3.44Å; L34-P36 WeakPolarHBondContact O-CD 3.37Å; L34-R41 PolarHBondContact O-NH2 3.18Å
35N91.4Very high90Very high32 Ų32108.4 Ų108.417%0.17152%0.523CS..SBendtrans-12369.7-176.6-63.3-36.6000110.3Y19 R20 A31 K32Y19-N35 HydrophobicContact CD2-CB 4.47Å; Y19-N35 HydrophobicContact CE2-CB 3.76Å; Y19-N35 PolarHBondContact OH-ND2 3.38Å; R20-N35 PolarHBondContact O-ND2 3.1Å; A31-N35 WeakPolarHBondContact O-CB 3.39Å; A31-N35 PolarHBondContact O-N 3.33Å; K32-N35 CarbonylContact O-C 3.52Å; K32-N35 PolarHBondContact O-N 3.39Å
36P90.7Very high90.1Very high56 Ų56106.3 Ų106.336%0.36452%0.519SS..  trans-66.6150.517527.8-33.3000110.4K32 L34 G38 K39K32-P36 WeakPolarHBondContact O-CA 3.35Å; K32-P36 VanDerWaalsContact O-N 3.13Å; L34-P36 VanDerWaalsContact C-CD 3.44Å; L34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-G38 PolarHBondContact O-N 3.1Å; P36-K39 HydrophobicContact CG-CB 4.02Å; P36-K39 HydrophobicContact CG-CD 4.02Å; P36-K39 WeakPolarHBondContact O-CB 3.23Å; P36-K39 PolarHBondContact O-N 3.39Å
37P87.9Confident90.2Very high133 Ų133109.3 Ų109.386%0.86453%0.532SS*.THydrogen-bonded Turntrans-51.5140.1174.3-25.334.3000111.8K39P37-K39 VanDerWaalsContact C-N 3.29Å; P37-K39 PolarHBondContact O-N 3.34Å
38G87.3Confident90.6Very high78 Ų78109.8 Ų109.880%0.80455%0.551SS**THydrogen-bonded Turntrans84-15.1-179.600000115.8P36 K40P36-G38 PolarHBondContact O-N 3.1Å; G38-K40 PolarHBondContact O-N 2.98Å; G38-K40 VanDerWaalsContact O-N 3.09Å
39K88.6Confident90.7Very high120 Ų120110.7 Ų110.752%0.52255%0.553SS.*  trans-71.7105.6177.1-172.8171.6-170.4167.10111.4P36 P37 R41P36-K39 HydrophobicContact CG-CB 4.02Å; P36-K39 HydrophobicContact CG-CD 4.02Å; P36-K39 WeakPolarHBondContact O-CB 3.23Å; P36-K39 PolarHBondContact O-N 3.39Å; P37-K39 VanDerWaalsContact C-N 3.29Å; P37-K39 PolarHBondContact O-N 3.34Å; K39-R41 HydrophobicContact CG-CG 4.46Å
40K86.7Confident90.8Very high206 Ų206105.6 Ų105.690%0.89653%0.533SS*.  trans-83.2134.9173.4-61.9-176.7-178.1179.70110.4G38G38-K40 PolarHBondContact O-N 2.98Å; G38-K40 VanDerWaalsContact O-N 3.09Å
41R87.8Confident90.7Very high96 Ų96111.1 Ų111.136%0.36254%0.544SS..  trans-131.2157.2173.6-62.5-172-173.9-148.76108.7L34 K39 K43L34-R41 PolarHBondContact O-NH2 3.18Å; K39-R41 HydrophobicContact CG-CG 4.46Å; R41-K43 PolarHBondContact O-N 3.38Å
42R91.1Very high90.7Very high234 Ų234116.4 Ų116.488%0.88357%0.568SS**PPolyproline II helixtrans-60.1135.1168.6-66.6-175.9179179.8-0.8109.5
43K88.9Confident90.8Very high136 Ų136114.8 Ų114.859%0.59157%0.566SS**PPolyproline II helixtrans-64136.9176.1-173173.1179.9176.80109.4R41R41-K43 PolarHBondContact O-N 3.38Å
44V90.8Very high90.9Very high50 Ų50104.6 Ų104.630%0.30353%0.528SS..PPolyproline II helixtrans-88.1116.4171.4-177.10000106.6I46V44-I46 HydrophobicContact CG1-CD1 4.4Å; V44-I46 HydrophobicContact CG1-CG1 4.18Å
45F91.9Very high91Very high183 Ų183101.4 Ų101.480%0.80351%0.514SS*.PPolyproline II helixtrans-75.9130.7173.6-65.6-83.2000109.1
46I92.5Very high91.2Very high68 Ų68100.1 Ų100.135%0.34951%0.507SS..  trans-131.9144.8-177.3-63.8139.2000106.1V44 H82 R83 N84V44-I46 HydrophobicContact CG1-CD1 4.4Å; V44-I46 HydrophobicContact CG1-CG1 4.18Å; I46-H82 WeakPolarHBondContact CD1-O 3.33Å; I46-R83 HydrophobicContact CD1-CB 4.4Å; I46-R83 HydrophobicContact CD1-CG 4.08Å; I46-N84 HydrophobicContact CG2-CB 4.28Å; I46-N84 VanDerWaalsContact CG2-ND2 3.28Å; I46-N84 WeakPolarHBondContact CG2-ND2 3.07Å
47E91.9Very high91.5Very high82 Ų8299.3 Ų99.338%0.38350%0.498SS..  trans-66127.2176-69.6155.9-156.500110.5I49 N84 R118E47-I49 PolarHBondContact O-N 3Å; E47-N84 PolarHBondContact O-ND2 3.25Å; E47-R118 VanDerWaalsContact CD-NE 3.25Å; E47-R118 IonicContact OE1-CZ 3.59Å; E47-R118 IonicContact OE1-NE 3.76Å; E47-R118 PolarHBondContact OE1-NE 3.21Å; E47-R118 VanDerWaalsContact OE1-NE 3.1Å; E47-R118 IonicContact OE1-NH1 3.52Å; E47-R118 PolarHBondContact OE1-NH1 2.84Å; E47-R118 IonicContact OE1-NH2 2.87Å; E47-R118 PolarHBondContact OE1-NH2 2.67Å; E47-R118 IonicContact OE2-CZ 3.19Å; E47-R118 IonicContact OE2-NE 3.65Å; E47-R118 PolarHBondContact OE2-NE 2.81Å; E47-R118 IonicContact OE2-NH2 2.77Å; E47-R118 PolarHBondContact OE2-NH2 3.16Å
48P93.4Very high91.8Very high133 Ų13398 Ų9886%0.86448%0.479SS*.  trans-70117.5175.929.1-32000108.8
49I93.6Very high92.2Very high63 Ų6395.8 Ų95.832%0.32346%0.455SS..  trans-112.8127.1170.6-58.2174.6000106.6E47 D53 W54 N84 I117E47-I49 PolarHBondContact O-N 3Å; I49-D53 HydrophobicContact CG2-CB 4.38Å; I49-W54 HydrophobicContact CB-CE3 4.34Å; I49-W54 HydrophobicContact CD1-CE3 4.19Å; I49-W54 HydrophobicContact CD1-CZ3 3.98Å; I49-W54 HydrophobicContact CG2-CB 4.47Å; I49-W54 HydrophobicContact CG2-CE3 4.04Å; I49-N84 HydrophobicContact CD1-CB 4.5Å; I49-N84 WeakPolarHBondContact CD1-ND2 3.39Å; I49-I117 HydrophobicContact CD1-CG2 4.03Å
50A93.9Very high92.6Very high43 Ų4390.5 Ų90.536%0.35543%0.433SS..  trans-62.2164.4179.200000111.6E52 D53 R81A50-E52 PolarHBondContact O-N 3.18Å; A50-D53 HydrophobicContact CB-CB 4.42Å; A50-D53 WeakPolarHBondContact CB-OD2 3.38Å; A50-R81 PolarHBondContact O-NH2 3.07Å
51Y91.2Very high93Very high168 Ų16883.4 Ų83.466%0.65941%0.407SS*.THydrogen-bonded Turntrans-64.6-40.5-179.1-173.9-85.3000110.6R81Y51-R81 PolarHBondContact O-NH1 2.88Å; Y51-R81 PolarHBondContact O-NH2 3.41Å
52E91.3Very high93.5Very high112 Ų11278.9 Ų78.952%0.52339%0.39SS..THydrogen-bonded Turntrans-76-26.3-170.1-6370.1-149.100113.7A50 W135 K143A50-E52 PolarHBondContact O-N 3.18Å; E52-W135 PolarHBondContact O-NE1 3.22Å; E52-K143 PolarHBondContact O-NZ 2.92Å
53D92.1Very high93.8Very high99 Ų9969.1 Ų69.153%0.52935%0.354SS..THydrogen-bonded Turntrans-90.2-14.7-176-62.6-24.8000112.5I49 A50 S55 W135I49-D53 HydrophobicContact CG2-CB 4.38Å; A50-D53 HydrophobicContact CB-CB 4.42Å; A50-D53 WeakPolarHBondContact CB-OD2 3.38Å; D53-S55 PolarHBondContact O-N 2.82Å; D53-S55 VanDerWaalsContact O-N 3.13Å; D53-W135 PolarHBondContact O-NE1 3.2Å
54W95.1Very high94.2Very high7 Ų762.8 Ų62.83%0.02733%0.327CS..  trans-67.3113.9-176.2-177.4-82.2000112.1I49 V56 V79 R81 N84 V86 I117 W135I49-W54 HydrophobicContact CB-CE3 4.34Å; I49-W54 HydrophobicContact CD1-CE3 4.19Å; I49-W54 HydrophobicContact CD1-CZ3 3.98Å; I49-W54 HydrophobicContact CG2-CB 4.47Å; I49-W54 HydrophobicContact CG2-CE3 4.04Å; W54-V56 PolarHBondContact NE1-O 3.4Å; W54-V79 HydrophobicContact CH2-CG1 4.33Å; W54-V79 HydrophobicContact CZ2-CG1 3.35Å; W54-R81 HydrophobicContact CD2-CG 4.47Å; W54-N84 HydrophobicContact CH2-CB 4.35Å; W54-N84 HydrophobicContact CZ3-CB 4.17Å; W54-V86 HydrophobicContact CZ2-CG2 4.46Å; W54-I117 HydrophobicContact CD2-CD1 4.15Å; W54-I117 HydrophobicContact CE3-CD1 4.04Å; W54-I117 HydrophobicContact CH2-CB 4.26Å; W54-I117 HydrophobicContact CH2-CD1 3.51Å; W54-I117 HydrophobicContact CH2-CG1 4.44Å; W54-I117 HydrophobicContact CZ2-CD1 3.62Å; W54-I117 HydrophobicContact CZ3-CD1 3.75Å; W54-W135 WeakPolarHBondContact O-CZ2 3.4Å
55S93.8Very high94.5Very high30 Ų3063.9 Ų63.921%0.2133%0.33CS..  trans-92.9-18.8-168.857.90000115.2D53 R145D53-S55 PolarHBondContact O-N 2.82Å; D53-S55 VanDerWaalsContact O-N 3.13Å; S55-R145 VanDerWaalsContact O-CD 3.3Å; S55-R145 WeakPolarHBondContact O-CD 3.26Å; S55-R145 PolarHBondContact O-NH1 3.38Å
56V95.7Very high94.6Very high6 Ų657.2 Ų57.24%0.03631%0.307CS..  trans-106.2121.8-170-178.90000112.7W54 V62 V76 V86 I117 L122W54-V56 PolarHBondContact NE1-O 3.4Å; V56-V62 HydrophobicContact CG1-CG1 4.32Å; V56-V76 HydrophobicContact CG1-CG2 3.83Å; V56-V86 HydrophobicContact CG1-CG2 4.48Å; V56-I117 HydrophobicContact CB-CD1 4.3Å; V56-I117 HydrophobicContact CG2-CD1 4Å; V56-I117 HydrophobicContact CG2-CG1 4.21Å; V56-L122 HydrophobicContact CG2-CD1 4.4Å; V56-L122 HydrophobicContact CG2-CD2 4.46Å; V56-L122 HydrophobicContact CG2-CG 4.25Å
57F95.5Very high94.7Very high38 Ų3856.6 Ų56.617%0.16732%0.317CS..  trans-112.8163.4180-59.3-75.4000112.7G59 D60 V76 W135 K156 P157F57-G59 PolarHBondContact O-N 2.84Å; F57-D60 WeakPolarHBondContact CA-OD2 3.3Å; F57-D60 PolarHBondContact N-OD2 3.02Å; F57-D60 WeakPolarHBondContact O-CB 3.37Å; F57-D60 PolarHBondContact O-N 3.19Å; F57-V76 WeakPolarHBondContact O-CB 3.47Å; F57-W135 AromaticContact CE2-CH2 3.91Å; F57-W135 HydrophobicContact CE2-CH2 3.91Å; F57-W135 HydrophobicContact CE2-CZ2 4.05Å; F57-W135 HydrophobicContact CZ-CH2 4.04Å; F57-W135 HydrophobicContact CZ-CZ2 4.07Å; F57-K156 HydrophobicContact CD2-CG 4.27Å; F57-K156 HydrophobicContact CG-CG 4.5Å; F57-P157 HydrophobicContact CB-CG 4.35Å
58K95.4Very high94.8Very high107 Ų10760 Ų6047%0.46533%0.33SS..THydrogen-bonded Turntrans-61.1130.1172.7-179.7176.9176.1176.70109.5A77 P157K58-A77 VanDerWaalsContact CD-O 3.32Å; K58-A77 WeakPolarHBondContact CD-O 3.11Å; K58-A77 WeakPolarHBondContact CE-O 3.48Å; K58-A77 WeakPolarHBondContact CG-O 3.16Å; K58-P157 VanDerWaalsContact O-CG 3.27Å; K58-P157 WeakPolarHBondContact O-CG 3.37Å
59G95.4Very high94.9Very high30 Ų3054.3 Ų54.331%0.30929%0.293SS..THydrogen-bonded Turntrans93.3-7.3-178.300000114.9F57 V76F57-G59 PolarHBondContact O-N 2.84Å; G59-V76 PolarHBondContact N-O 2.87Å
60D96.3Very high95Very high9 Ų958.6 Ų58.65%0.04831%0.309CS..  trans-66.1150.3173.6-79.7-40000110.7F57 V62 K75 V76 L122 R145 P157F57-D60 WeakPolarHBondContact CA-OD2 3.3Å; F57-D60 PolarHBondContact N-OD2 3.02Å; F57-D60 WeakPolarHBondContact O-CB 3.37Å; F57-D60 PolarHBondContact O-N 3.19Å; D60-V62 HydrophobicContact CB-CG1 4.36Å; D60-K75 CarbonylContact O-C 3.55Å; D60-K75 WeakPolarHBondContact O-CA 3.16Å; D60-V76 HydrophobicContact CB-CG2 4.28Å; D60-V76 WeakPolarHBondContact O-CG2 3.35Å; D60-V76 PolarHBondContact O-N 2.8Å; D60-L122 HydrophobicContact CB-CD2 3.85Å; D60-R145 IonicContact OD1-CZ 2.7Å; D60-R145 IonicContact OD1-NH1 2.74Å; D60-R145 PolarHBondContact OD1-NH1 3.17Å; D60-R145 IonicContact OD1-NH2 2.73Å; D60-R145 PolarHBondContact OD1-NH2 3.32Å; D60-R145 IonicContact OD2-CZ 2.61Å; D60-R145 IonicContact OD2-NH1 2.69Å; D60-R145 PolarHBondContact OD2-NH1 3.49Å; D60-R145 IonicContact OD2-NH2 3.05Å; D60-P157 WeakPolarHBondContact OD1-CD 3.11Å; D60-P157 WeakPolarHBondContact OD1-CG 3.4Å
61T95.8Very high95.1Very high58 Ų5858.6 Ų58.636%0.35631%0.314SS..EExtended strand (participates in β ladder)trans-94.9128.1170-54.90000108.8V123T61-V123 HydrophobicContact CG2-CB 4.38Å; T61-V123 PolarHBondContact O-N 3.45Å; T61-V123 VanDerWaalsContact O-N 3.15Å
62V97.3Very high95.4Very high0 Ų055.7 Ų55.70%031%0.305CS..EExtended strand (participates in β ladder)trans-137.7155.6-174.1-610000110.9V56 D60 Q73 G74 V76 L88 I120 S121 L122V56-V62 HydrophobicContact CG1-CG1 4.32Å; D60-V62 HydrophobicContact CB-CG1 4.36Å; V62-Q73 CarbonylContact O-C 3.57Å; V62-Q73 VanDerWaalsContact O-CA 3.28Å; V62-Q73 WeakPolarHBondContact O-CA 3.3Å; V62-G74 PolarHBondContact N-O 3.19Å; V62-G74 PolarHBondContact O-N 2.8Å; V62-V76 HydrophobicContact CG1-CG2 3.87Å; V62-V76 HydrophobicContact CG2-CG2 3.85Å; V62-L88 HydrophobicContact CG2-CD1 3.84Å; V62-L88 HydrophobicContact CG2-CD2 3.28Å; V62-L88 HydrophobicContact CG2-CG 4.21Å; V62-I120 HydrophobicContact CB-CG2 3.32Å; V62-I120 HydrophobicContact CG1-CG2 3.85Å; V62-I120 HydrophobicContact CG2-CG2 3.45Å; V62-I120 VanDerWaalsContact CG2-CG2 3.45Å; V62-S121 CarbonylContact C-O 3.56Å; V62-S121 VanDerWaalsContact CA-O 3.25Å; V62-S121 WeakPolarHBondContact CA-O 3.25Å; V62-S121 WeakPolarHBondContact CB-O 3.34Å; V62-L122 HydrophobicContact CG1-CD2 3.81Å; V62-L122 HydrophobicContact CG1-CG 4.44Å
63E97.2Very high95.6Very high30 Ų3054.3 Ų54.314%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-110.6139.5177-167171.7134.800110.7Q73 I120 S121 V123 P130E63-Q73 HydrophobicContact CB-CG 3.98Å; E63-Q73 HydrophobicContact CG-CG 3.92Å; E63-Q73 PolarHBondContact OE2-NE2 2.52Å; E63-I120 CarbonylContact O-C 3.52Å; E63-I120 WeakPolarHBondContact O-CA 2.98Å; E63-S121 PolarHBondContact N-O 3.18Å; E63-S121 PolarHBondContact O-N 2.86Å; E63-V123 HydrophobicContact CB-CG2 3.87Å; E63-P130 HydrophobicContact CB-CB 4.25Å; E63-P130 WeakPolarHBondContact OE2-CD 3.49Å
64I97.9Very high95.8Very high2 Ų250.1 Ų50.11%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-82.1121.6177.9-60.5174.5000109.7S66 D69 G71 K72 L88 L91 L115I64-S66 WeakPolarHBondContact CG2-O 3.36Å; I64-D69 HydrophobicContact CD1-CB 3.8Å; I64-G71 PolarHBondContact O-N 3.41Å; I64-K72 PolarHBondContact N-O 3.48Å; I64-K72 VanDerWaalsContact N-O 3.08Å; I64-L88 HydrophobicContact CD1-CD1 3.89Å; I64-L88 HydrophobicContact CG1-CD1 3.62Å; I64-L91 HydrophobicContact CD1-CB 3.91Å; I64-L91 HydrophobicContact CD1-CD1 3.9Å; I64-L91 HydrophobicContact CD1-CG 4.48Å; I64-L115 HydrophobicContact CD1-CD1 3.95Å; I64-L115 HydrophobicContact CG1-CD1 3.97Å; I64-L115 HydrophobicContact CG2-CD1 4.42Å
65L96.9Very high95.9Very high73 Ų7355.8 Ų55.838%0.38230%0.303SS..  trans-85.6-31.3179.1-60.1178000112.9K70 D119L65-K70 WeakPolarHBondContact O-CD 3.33Å; L65-K70 WeakPolarHBondContact O-CE 2.98Å; L65-K70 WeakPolarHBondContact O-CG 3.4Å; L65-D119 PolarHBondContact N-O 3.35Å
66S95.2Very high96.1Very high43 Ų4354.4 Ų54.430%0.30129%0.293SS..SBendtrans-140.3153.4-174.582.90000112.1I64 D119I64-S66 WeakPolarHBondContact CG2-O 3.36Å; S66-D119 WeakPolarHBondContact OG-CB 3.33Å; S66-D119 PolarHBondContact OG-OD1 3.09Å
67G93.9Very high96.1Very high55 Ų5555.1 Ų55.157%0.56730%0.3SS*.SBendtrans102.3-16617800000114.6D69 K70G67-D69 VanDerWaalsContact C-N 3.33Å; G67-D69 PolarHBondContact O-N 2.83Å; G67-K70 PolarHBondContact O-N 3.38Å
68K93.2Very high96Very high153 Ų15356.8 Ų56.867%0.66531%0.308SS*.THydrogen-bonded Turntrans-61.4-38-170.4-178.9-177.9173.2-172.20113.5
69D95.6Very high96.1Very high15 Ų1553.6 Ų53.68%0.0830%0.298CS..THydrogen-bonded Turntrans-10732.1-174-72.6-49.2000112.2I64 G67 G71 K72 N92I64-D69 HydrophobicContact CD1-CB 3.8Å; G67-D69 VanDerWaalsContact C-N 3.33Å; G67-D69 PolarHBondContact O-N 2.83Å; D69-G71 PolarHBondContact O-N 2.93Å; D69-K72 HydrophobicContact CB-CD 4.03Å; D69-K72 WeakPolarHBondContact O-CB 3.26Å; D69-K72 PolarHBondContact O-N 3.11Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K72 IonicContact OD1-NZ 3.42Å; D69-K72 PolarHBondContact OD1-NZ 3.21Å; D69-N92 WeakPolarHBondContact OD2-CA 3.41Å; D69-N92 PolarHBondContact OD2-N 2.7Å
70K96.3Very high96.1Very high152 Ų15253.4 Ų53.466%0.66129%0.288SS*.THydrogen-bonded Turntrans-53.1135.7179.6178.5174.6179.8176.70112.2L65 G67 K72L65-K70 WeakPolarHBondContact O-CD 3.33Å; L65-K70 WeakPolarHBondContact O-CE 2.98Å; L65-K70 WeakPolarHBondContact O-CG 3.4Å; G67-K70 PolarHBondContact O-N 3.38Å; K70-K72 PolarHBondContact O-N 2.86Å
71G95.9Very high96Very high44 Ų4456.2 Ų56.245%0.45430%0.298SS..THydrogen-bonded Turntrans80.4-5.6-18000000114.5I64 D69I64-G71 PolarHBondContact O-N 3.41Å; D69-G71 PolarHBondContact O-N 2.93Å
72K97Very high95.8Very high107 Ų10758.9 Ų58.947%0.46531%0.306SS..  trans-81.9144.2172.9-62.5-175.4-173.3165.10110.5I64 D69 K70 L91I64-K72 PolarHBondContact N-O 3.48Å; I64-K72 VanDerWaalsContact N-O 3.08Å; D69-K72 HydrophobicContact CB-CD 4.03Å; D69-K72 WeakPolarHBondContact O-CB 3.26Å; D69-K72 PolarHBondContact O-N 3.11Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K72 IonicContact OD1-NZ 3.42Å; D69-K72 PolarHBondContact OD1-NZ 3.21Å; K70-K72 PolarHBondContact O-N 2.86Å; K72-L91 HydrophobicContact CB-CD1 4.2Å; K72-L91 HydrophobicContact CB-CD2 4.09Å; K72-L91 HydrophobicContact CD-CD2 3.91Å
73Q97Very high95.6Very high82 Ų8260.5 Ų60.538%0.38331%0.312SS..EExtended strand (participates in β ladder)trans-101.8139.6175.8-63.6-179.8-2.800110.3V62 E63 V123 R128V62-Q73 CarbonylContact O-C 3.57Å; V62-Q73 VanDerWaalsContact O-CA 3.28Å; V62-Q73 WeakPolarHBondContact O-CA 3.3Å; E63-Q73 HydrophobicContact CB-CG 3.98Å; E63-Q73 HydrophobicContact CG-CG 3.92Å; E63-Q73 PolarHBondContact OE2-NE2 2.52Å; Q73-V123 HydrophobicContact CG-CG2 4.04Å; Q73-R128 PolarHBondContact NE2-O 3.43Å
74G95.9Very high95.6Very high11 Ų1159.7 Ų59.711%0.11331%0.309CS..EExtended strand (participates in β ladder)trans-149.9164.5179.800000112.3V62V62-G74 PolarHBondContact N-O 3.19Å; V62-G74 PolarHBondContact O-N 2.8Å
75K96.7Very high95.5Very high126 Ų12661.6 Ų61.655%0.54832%0.316SS..EExtended strand (participates in β ladder)trans-89.5144176-69.3-174.9179.7-179.10110.7D60 A77 L88 D89D60-K75 CarbonylContact O-C 3.55Å; D60-K75 WeakPolarHBondContact O-CA 3.16Å; K75-A77 PolarHBondContact O-N 3.3Å; K75-L88 CarbonylContact O-C 3.2Å; K75-L88 VanDerWaalsContact O-CA 3.31Å; K75-L88 WeakPolarHBondContact O-CA 3.27Å; K75-D89 PolarHBondContact O-N 2.98Å
76V97.4Very high95.6Very high2 Ų258.2 Ų58.21%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-76.5111.6177.2178.10000110.6V56 F57 G59 D60 V62 V79 V86 L88V56-V76 HydrophobicContact CG1-CG2 3.83Å; F57-V76 WeakPolarHBondContact O-CB 3.47Å; G59-V76 PolarHBondContact N-O 2.87Å; D60-V76 HydrophobicContact CB-CG2 4.28Å; D60-V76 WeakPolarHBondContact O-CG2 3.35Å; D60-V76 PolarHBondContact O-N 2.8Å; V62-V76 HydrophobicContact CG1-CG2 3.87Å; V62-V76 HydrophobicContact CG2-CG2 3.85Å; V76-V79 HydrophobicContact CG1-CG2 3.58Å; V76-V86 HydrophobicContact CB-CG1 4.32Å; V76-V86 HydrophobicContact CG1-CG1 3.57Å; V76-V86 HydrophobicContact CG2-CG1 3.88Å; V76-L88 HydrophobicContact CB-CD2 4.36Å; V76-L88 HydrophobicContact CG2-CD2 3.73Å
77A95.7Very high95.7Very high20 Ų2056.8 Ų56.817%0.16529%0.287CS..EExtended strand (participates in β ladder)trans-77-47.6178.600000112K58 K75 I87 D89K58-A77 VanDerWaalsContact CD-O 3.32Å; K58-A77 WeakPolarHBondContact CD-O 3.11Å; K58-A77 WeakPolarHBondContact CE-O 3.48Å; K58-A77 WeakPolarHBondContact CG-O 3.16Å; K75-A77 PolarHBondContact O-N 3.3Å; A77-I87 HydrophobicContact CB-CG2 4.27Å; A77-I87 WeakPolarHBondContact CB-O 3.49Å; A77-I87 PolarHBondContact N-O 3.14Å; A77-D89 WeakPolarHBondContact CB-OD1 3.46Å
78Q94.9Very high95.8Very high74 Ų7454.2 Ų54.235%0.34626%0.261SS..EExtended strand (participates in β ladder)trans-151.9144.8-174.2-164.7175.4-4.400111.6F80 I87Q78-F80 HydrophobicContact CB-CE2 4.04Å; Q78-F80 HydrophobicContact CG-CD2 4.35Å; Q78-F80 HydrophobicContact CG-CE2 3.69Å; Q78-F80 HydrophobicContact CG-CZ 3.88Å; Q78-I87 HydrophobicContact CB-CB 4.42Å; Q78-I87 PolarHBondContact N-O 3.15Å; Q78-I87 PolarHBondContact O-N 3.38Å
79V96.1Very high96Very high40 Ų4051 Ų5124%0.24225%0.251CS..EExtended strand (participates in β ladder)trans-120.9136.4178.9179.30000110.2W54 V76 R81W54-V79 HydrophobicContact CH2-CG1 4.33Å; W54-V79 HydrophobicContact CZ2-CG1 3.35Å; V76-V79 HydrophobicContact CG1-CG2 3.58Å; V79-R81 HydrophobicContact CG1-CG 4.24Å
80F95.4Very high96Very high25 Ų2552.9 Ų52.911%0.1127%0.273CS..EExtended strand (participates in β ladder)trans-125.588.8179.4-61.1-97.2000110.2T23 Q78 H82 R83 N84 W85 I87T23-F80 VanDerWaalsContact O-CE1 3.26Å; T23-F80 WeakPolarHBondContact O-CE1 3.29Å; T23-F80 WeakPolarHBondContact O-CZ 3.22Å; Q78-F80 HydrophobicContact CB-CE2 4.04Å; Q78-F80 HydrophobicContact CG-CD2 4.35Å; Q78-F80 HydrophobicContact CG-CE2 3.69Å; Q78-F80 HydrophobicContact CG-CZ 3.88Å; F80-H82 VanDerWaalsContact C-N 3.28Å; F80-H82 PolarHBondContact O-N 3.24Å; F80-R83 PolarHBondContact O-N 2.85Å; F80-N84 PolarHBondContact O-N 3.35Å; F80-N84 VanDerWaalsContact O-N 3.13Å; F80-W85 HydrophobicContact CB-CB 3.92Å; F80-W85 HydrophobicContact CD2-CB 4.32Å; F80-W85 HydrophobicContact CG-CB 4.49Å; F80-W85 PolarHBondContact N-O 3.3Å; F80-W85 PolarHBondContact O-N 2.98Å; F80-I87 HydrophobicContact CE2-CD1 3.52Å; F80-I87 HydrophobicContact CE2-CG1 3.89Å; F80-I87 HydrophobicContact CZ-CD1 4.1Å
81R93.8Very high96Very high69 Ų6946.7 Ų46.726%0.2625%0.247SC..G310 helixtrans-60.9-33.8-177.7-58.4-169.570.2154.26.2113.9A50 Y51 W54 V79 R83 N84A50-R81 PolarHBondContact O-NH2 3.07Å; Y51-R81 PolarHBondContact O-NH1 2.88Å; Y51-R81 PolarHBondContact O-NH2 3.41Å; W54-R81 HydrophobicContact CD2-CG 4.47Å; V79-R81 HydrophobicContact CG1-CG 4.24Å; R81-R83 PolarHBondContact O-N 2.82Å; R81-N84 PolarHBondContact O-N 2.91Å; R81-N84 PolarHBondContact O-OD1 2.61Å
82H92.3Very high96Very high114 Ų11446.1 Ų46.153%0.52823%0.234SC..G310 helixtrans-61.1-16.1178.9-57.689.8000114.5Y21 I46 F80Y21-H82 HydrophobicContact CD1-CB 4.32Å; Y21-H82 HydrophobicContact CD2-CB 3.64Å; Y21-H82 AromaticContact CD2-CG 3.97Å; Y21-H82 HydrophobicContact CE2-CB 4.04Å; Y21-H82 AromaticContact CE2-CD2 3.62Å; Y21-H82 AromaticContact CE2-CG 3.92Å; Y21-H82 HydrophobicContact CG-CB 3.8Å; Y21-H82 AromaticContact CZ-CD2 3.56Å; Y21-H82 AromaticContact CZ-CG 3.97Å; Y21-H82 AromaticContact CZ-NE2 3.86Å; I46-H82 WeakPolarHBondContact CD1-O 3.33Å; F80-H82 VanDerWaalsContact C-N 3.28Å; F80-H82 PolarHBondContact O-N 3.24Å
83R93.9Very high96Very high34 Ų3442.4 Ų42.413%0.12822%0.22CC..G310 helixtrans-133.89.2-179.5-64.5-158.662.9-170.6-10.6113.3Y21 I46 F80 R81 W85Y21-R83 WeakPolarHBondContact O-CD 3.49Å; Y21-R83 PolarHBondContact O-NH1 3.33Å; Y21-R83 VanDerWaalsContact O-NH1 3.12Å; I46-R83 HydrophobicContact CD1-CB 4.4Å; I46-R83 HydrophobicContact CD1-CG 4.08Å; F80-R83 PolarHBondContact O-N 2.85Å; R81-R83 PolarHBondContact O-N 2.82Å; R83-W85 HydrophobicContact CB-CB 4.44Å; R83-W85 HydrophobicContact CB-CD2 3.75Å; R83-W85 HydrophobicContact CB-CE3 3.97Å; R83-W85 HydrophobicContact CB-CG 3.95Å; R83-W85 HydrophobicContact CG-CE3 4.45Å; R83-W85 PolarHBondContact O-N 3.46Å
84N96.4Very high95.9Very high12 Ų1242.9 Ų42.96%0.06422%0.222CC..THydrogen-bonded Turntrans50.937.6-171.8-57-13.2000112.9I46 E47 I49 W54 F80 R81 L116 I117I46-N84 HydrophobicContact CG2-CB 4.28Å; I46-N84 VanDerWaalsContact CG2-ND2 3.28Å; I46-N84 WeakPolarHBondContact CG2-ND2 3.07Å; E47-N84 PolarHBondContact O-ND2 3.25Å; I49-N84 HydrophobicContact CD1-CB 4.5Å; I49-N84 WeakPolarHBondContact CD1-ND2 3.39Å; W54-N84 HydrophobicContact CH2-CB 4.35Å; W54-N84 HydrophobicContact CZ3-CB 4.17Å; F80-N84 PolarHBondContact O-N 3.35Å; F80-N84 VanDerWaalsContact O-N 3.13Å; R81-N84 PolarHBondContact O-N 2.91Å; R81-N84 PolarHBondContact O-OD1 2.61Å; N84-L116 WeakPolarHBondContact O-CA 3.44Å; N84-I117 HydrophobicContact CB-CG2 4.07Å; N84-I117 PolarHBondContact O-N 3.36Å
85W96.8Very high95.9Very high43 Ų4347.4 Ų47.416%0.16324%0.239CC..EExtended strand (participates in β ladder)trans-100.6144.3-176.9-79.6-16.4000112.2F80 R83 P114 L115F80-W85 HydrophobicContact CB-CB 3.92Å; F80-W85 HydrophobicContact CD2-CB 4.32Å; F80-W85 HydrophobicContact CG-CB 4.49Å; F80-W85 PolarHBondContact N-O 3.3Å; F80-W85 PolarHBondContact O-N 2.98Å; R83-W85 HydrophobicContact CB-CB 4.44Å; R83-W85 HydrophobicContact CB-CD2 3.75Å; R83-W85 HydrophobicContact CB-CE3 3.97Å; R83-W85 HydrophobicContact CB-CG 3.95Å; R83-W85 HydrophobicContact CG-CE3 4.45Å; R83-W85 PolarHBondContact O-N 3.46Å; W85-P114 HydrophobicContact CB-CB 3.93Å; W85-P114 HydrophobicContact CD2-CB 3.8Å; W85-P114 HydrophobicContact CD2-CG 3.99Å; W85-P114 HydrophobicContact CE3-CB 4.05Å; W85-P114 HydrophobicContact CE3-CG 4.02Å; W85-P114 HydrophobicContact CG-CB 3.78Å; W85-P114 HydrophobicContact CG-CG 4.45Å; W85-P114 HydrophobicContact CH2-CG 4.17Å; W85-P114 HydrophobicContact CZ2-CG 4.23Å; W85-P114 HydrophobicContact CZ3-CG 4.12Å; W85-L115 CarbonylContact C-O 3.56Å; W85-L115 VanDerWaalsContact CA-O 3.26Å; W85-L115 WeakPolarHBondContact CA-O 3.46Å
86V97.3Very high95.8Very high1 Ų147.3 Ų47.31%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-132.4135.4176.6-176.60000108.2W54 V56 V76 L88 P114 L115 I120W54-V86 HydrophobicContact CZ2-CG2 4.46Å; V56-V86 HydrophobicContact CG1-CG2 4.48Å; V76-V86 HydrophobicContact CB-CG1 4.32Å; V76-V86 HydrophobicContact CG1-CG1 3.57Å; V76-V86 HydrophobicContact CG2-CG1 3.88Å; V86-L88 HydrophobicContact CG1-CD2 3.93Å; V86-P114 WeakPolarHBondContact O-CA 3.36Å; V86-L115 PolarHBondContact N-O 3.22Å; V86-L115 PolarHBondContact O-N 2.86Å; V86-I120 HydrophobicContact CB-CD1 4.03Å; V86-I120 HydrophobicContact CG1-CD1 4.17Å
87I97.4Very high95.8Very high13 Ų1354.1 Ų54.17%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-108.9131.8172.2-62-177.9000107.7T23 A77 Q78 F80 E112 P114T23-I87 HydrophobicContact CG2-CD1 4.16Å; A77-I87 HydrophobicContact CB-CG2 4.27Å; A77-I87 WeakPolarHBondContact CB-O 3.49Å; A77-I87 PolarHBondContact N-O 3.14Å; Q78-I87 HydrophobicContact CB-CB 4.42Å; Q78-I87 PolarHBondContact N-O 3.15Å; Q78-I87 PolarHBondContact O-N 3.38Å; F80-I87 HydrophobicContact CE2-CD1 3.52Å; F80-I87 HydrophobicContact CE2-CG1 3.89Å; F80-I87 HydrophobicContact CZ-CD1 4.1Å; I87-E112 HydrophobicContact CG2-CB 3.57Å; I87-E112 HydrophobicContact CG2-CG 4.35Å; I87-P114 HydrophobicContact CG1-CB 4.11Å
88L97.5Very high95.7Very high2 Ų256.3 Ų56.31%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-104.8143.7177.4-55.8-175.7000109.8V62 I64 K75 V76 V86 G90 L91 E112 L115 I120V62-L88 HydrophobicContact CG2-CD1 3.84Å; V62-L88 HydrophobicContact CG2-CD2 3.28Å; V62-L88 HydrophobicContact CG2-CG 4.21Å; I64-L88 HydrophobicContact CD1-CD1 3.89Å; I64-L88 HydrophobicContact CG1-CD1 3.62Å; K75-L88 CarbonylContact O-C 3.2Å; K75-L88 VanDerWaalsContact O-CA 3.31Å; K75-L88 WeakPolarHBondContact O-CA 3.27Å; V76-L88 HydrophobicContact CB-CD2 4.36Å; V76-L88 HydrophobicContact CG2-CD2 3.73Å; V86-L88 HydrophobicContact CG1-CD2 3.93Å; L88-G90 PolarHBondContact O-N 2.74Å; L88-L91 HydrophobicContact CB-CB 4.16Å; L88-L91 HydrophobicContact CD1-CD1 4.34Å; L88-E112 WeakPolarHBondContact O-CG 3.37Å; L88-L115 HydrophobicContact CD1-CD1 4.05Å; L88-L115 HydrophobicContact CG-CD1 4.48Å; L88-I120 HydrophobicContact CD1-CD1 4.01Å; L88-I120 HydrophobicContact CD2-CD1 4.24Å; L88-I120 HydrophobicContact CG-CD1 4.21Å
89D96.4Very high95.7Very high86 Ų8655.3 Ų55.346%0.4628%0.279SS..THydrogen-bonded Turntrans-65.5120.5178.8-73-36.7000110.6K75 A77 L91K75-D89 PolarHBondContact O-N 2.98Å; A77-D89 WeakPolarHBondContact CB-OD1 3.46Å; D89-L91 PolarHBondContact O-N 2.73Å; D89-L91 VanDerWaalsContact O-N 3.08Å
90G95.5Very high95.6Very high54 Ų5461 Ų6156%0.55730%0.301SS*.THydrogen-bonded Turntrans66.86.1172.800000116.9L88 E112L88-G90 PolarHBondContact O-N 2.74Å; G90-E112 PolarHBondContact N-OE1 2.69Å
91L96.5Very high95.6Very high21 Ų2163.7 Ų63.711%0.1132%0.32CS..SBendtrans-113.9158.3178-63179.2000111.7I64 K72 L88 D89 T93I64-L91 HydrophobicContact CD1-CB 3.91Å; I64-L91 HydrophobicContact CD1-CD1 3.9Å; I64-L91 HydrophobicContact CD1-CG 4.48Å; K72-L91 HydrophobicContact CB-CD1 4.2Å; K72-L91 HydrophobicContact CB-CD2 4.09Å; K72-L91 HydrophobicContact CD-CD2 3.91Å; L88-L91 HydrophobicContact CB-CB 4.16Å; L88-L91 HydrophobicContact CD1-CD1 4.34Å; D89-L91 PolarHBondContact O-N 2.73Å; D89-L91 VanDerWaalsContact O-N 3.08Å; L91-T93 PolarHBondContact O-N 2.89Å
92N96.3Very high95.7Very high33 Ų3365.4 Ų65.418%0.17635%0.348CS..SBendtrans51.645.3-176.2-168.938000112.1D69 A113 L115D69-N92 WeakPolarHBondContact OD2-CA 3.41Å; D69-N92 PolarHBondContact OD2-N 2.7Å; N92-A113 PolarHBondContact ND2-O 2.86Å; N92-A113 VanDerWaalsContact O-CB 3.3Å; N92-A113 WeakPolarHBondContact O-CB 3.32Å; N92-A113 PolarHBondContact O-N 3.41Å; N92-L115 HydrophobicContact CB-CD1 4.09Å; N92-L115 HydrophobicContact CB-CD2 4.35Å; N92-L115 HydrophobicContact CB-CG 4.22Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.32Å; N92-L115 WeakPolarHBondContact ND2-CG 3.44Å
93T96Very high95.9Very high28 Ų2867.8 Ų67.817%0.17237%0.365CS..EExtended strand (participates in β ladder)trans-90.7142.9-174.163.50000112.2L91 A110 S111 E112L91-T93 PolarHBondContact O-N 2.89Å; T93-A110 HydrophobicContact CG2-CB 4.46Å; T93-S111 VanDerWaalsContact CA-O 3.32Å; T93-S111 WeakPolarHBondContact CA-O 3.47Å; T93-E112 HydrophobicContact CG2-CG 4.01Å
94H95.6Very high96Very high93 Ų9371.8 Ų71.843%0.43138%0.381SS..EExtended strand (participates in β ladder)trans-115.4150.2163.564.2-75.5000108.9S111H94-S111 PolarHBondContact CE1-O 2.9Å; H94-S111 PolarHBondContact N-O 3.4Å; H94-S111 PolarHBondContact ND1-O 2.78Å; H94-S111 VanDerWaalsContact ND1-O 3.15Å; H94-S111 PolarHBondContact O-N 3.35Å; H94-S111 VanDerWaalsContact O-O 3.14Å
95F96Very high95.8Very high105 Ų10581.5 Ų81.546%0.46142%0.417SS..EExtended strand (participates in β ladder)trans-90.4141.9179.9-61.6-83.4000111.6Y108 I109 A110F95-Y108 HydrophobicContact CB-CD1 4.33Å; F95-Y108 HydrophobicContact CB-CD2 4.27Å; F95-Y108 HydrophobicContact CB-CE1 3.53Å; F95-Y108 HydrophobicContact CB-CE2 3.47Å; F95-Y108 VanDerWaalsContact CB-CE2 3.47Å; F95-Y108 WeakPolarHBondContact CB-OH 3.36Å; F95-Y108 AromaticContact CD1-CD1 3.84Å; F95-Y108 HydrophobicContact CD1-CD1 3.84Å; F95-Y108 AromaticContact CD1-CE1 3.23Å; F95-Y108 HydrophobicContact CD1-CE1 3.23Å; F95-Y108 AromaticContact CD1-CZ 3.77Å; F95-Y108 HydrophobicContact CD2-CE1 4.1Å; F95-Y108 AromaticContact CD2-CZ 3.99Å; F95-Y108 WeakPolarHBondContact CD2-OH 3.12Å; F95-Y108 HydrophobicContact CE1-CD1 4.5Å; F95-Y108 AromaticContact CE1-CE1 3.88Å; F95-Y108 HydrophobicContact CE1-CE1 3.88Å; F95-Y108 HydrophobicContact CG-CD1 4.3Å; F95-Y108 AromaticContact CG-CE1 3.36Å; F95-Y108 HydrophobicContact CG-CE1 3.36Å; F95-Y108 HydrophobicContact CG-CE2 4.25Å; F95-Y108 AromaticContact CG-CZ 3.36Å; F95-Y108 WeakPolarHBondContact CG-OH 3.26Å; F95-I109 WeakPolarHBondContact CA-O 3.49Å; F95-A110 HydrophobicContact CD1-CB 3.93Å; F95-A110 HydrophobicContact CE1-CB 3.81Å
96R94.9Very high95.8Very high125 Ų12579.9 Ų79.947%0.47241%0.413SS..EExtended strand (participates in β ladder)trans-145.2155.5175.165.2-177-179.9121.81.5111.2I98 I109 S111R96-I98 HydrophobicContact CG-CG1 4.38Å; R96-I109 PolarHBondContact N-O 3.27Å; R96-I109 PolarHBondContact O-N 2.93Å; R96-I109 VanDerWaalsContact O-O 3.14Å; R96-S111 VanDerWaalsContact NE-CB 3.29Å; R96-S111 PolarHBondContact NE-OG 2.91Å
97Y96.5Very high95.8Very high144 Ų14483.1 Ų83.157%0.56543%0.433SS*.EExtended strand (participates in β ladder)trans-86.1134.2173.1-66.5-87.2000110.7T107 Y108Y97-T107 CarbonylContact C-O 3.59Å; Y97-T107 VanDerWaalsContact CA-O 3.31Å; Y97-T107 WeakPolarHBondContact CA-O 3.46Å; Y97-Y108 HydrophobicContact CD1-CD2 4.24Å; Y97-Y108 HydrophobicContact CD2-CD2 4.31Å; Y97-Y108 AromaticContact CE1-CD2 3.77Å; Y97-Y108 HydrophobicContact CE1-CD2 3.77Å; Y97-Y108 HydrophobicContact CE1-CG 4.38Å; Y97-Y108 AromaticContact CE2-CD2 3.84Å; Y97-Y108 HydrophobicContact CE2-CD2 3.84Å; Y97-Y108 HydrophobicContact CE2-CE2 4.15Å; Y97-Y108 HydrophobicContact CG-CD2 4.5Å; Y97-Y108 AromaticContact CZ-CD2 3.56Å
98I94.9Very high95.7Very high66 Ų6688.5 Ų88.534%0.33845%0.453SS..EExtended strand (participates in β ladder)trans-118.4147.8176.3-56.9-174.2000109R96 K100 G106 T107 I109R96-I98 HydrophobicContact CG-CG1 4.38Å; I98-K100 VanDerWaalsContact C-N 3.34Å; I98-K100 PolarHBondContact O-N 3.29Å; I98-G106 CarbonylContact O-C 3.59Å; I98-G106 VanDerWaalsContact O-CA 3.3Å; I98-G106 WeakPolarHBondContact O-CA 3.3Å; I98-T107 PolarHBondContact N-O 3.47Å; I98-T107 PolarHBondContact O-N 2.87Å; I98-I109 HydrophobicContact CB-CD1 4.16Å; I98-I109 HydrophobicContact CD1-CB 4.13Å; I98-I109 HydrophobicContact CD1-CD1 3.9Å; I98-I109 HydrophobicContact CD1-CG2 4.19Å; I98-I109 HydrophobicContact CG1-CB 4.47Å; I98-I109 HydrophobicContact CG1-CD1 4.25Å
99G93.6Very high95.7Very high53 Ų5391.8 Ų91.855%0.54647%0.47SS..SBendtrans72.523.3176.700000114.6T101G99-T101 PolarHBondContact O-N 3.42Å
100K95.1Very high95.7Very high161 Ų16190 Ų9070%0.747%0.467SS*.  trans-63.4126.6177.3-176.9177.7179.41800110.9I98I98-K100 VanDerWaalsContact C-N 3.34Å; I98-K100 PolarHBondContact O-N 3.29Å
101T95.9Very high95.7Very high81 Ų8188.4 Ų88.450%0.49745%0.447SS..  trans-118-176.5169.658.30000109.8G99 D103 Y104G99-T101 PolarHBondContact O-N 3.42Å; T101-D103 VanDerWaalsContact C-N 3.33Å; T101-Y104 PolarHBondContact N-O 2.65Å; T101-Y104 VanDerWaalsContact O-O 3.1Å; T101-Y104 WeakPolarHBondContact OG1-CB 3.41Å; T101-Y104 PolarHBondContact OG1-N 2.69Å
102A95.1Very high95.7Very high104 Ų10490.8 Ų90.886%0.8646%0.458SS*.SBendtrans-62.3-4317600000111.3
103D96.3Very high95.7Very high164 Ų16490.3 Ų90.388%0.87746%0.459SS*.SBendtrans-90.3-27.4-175.4-49.6-45.4000113.1T101T101-D103 VanDerWaalsContact C-N 3.33Å
104Y95.9Very high95.7Very high119 Ų11990.7 Ų90.747%0.46746%0.462SS..  trans-109.3124.3-178.4-178.4-121.2000112.1T101 G106 T107T101-Y104 PolarHBondContact N-O 2.65Å; T101-Y104 VanDerWaalsContact O-O 3.1Å; T101-Y104 WeakPolarHBondContact OG1-CB 3.41Å; T101-Y104 PolarHBondContact OG1-N 2.69Å; Y104-G106 VanDerWaalsContact CE1-C 3.42Å; Y104-G106 PolarHBondContact O-N 2.74Å; Y104-G106 VanDerWaalsContact O-N 3.12Å; Y104-T107 PolarHBondContact OH-OG1 3.27Å; Y104-T107 VanDerWaalsContact OH-OG1 3.1Å
105R92.9Very high95.8Very high216 Ų21687 Ų8782%0.81545%0.445SS*.  trans-63.2-18.4-179.8-66.7-175.4178.4-174.70.3113.8
106G95.6Very high95.8Very high9 Ų985.8 Ų85.89%0.09344%0.443CS..  trans98.6163.5-177.800000112.9I98 Y104I98-G106 CarbonylContact O-C 3.59Å; I98-G106 VanDerWaalsContact O-CA 3.3Å; I98-G106 WeakPolarHBondContact O-CA 3.3Å; Y104-G106 VanDerWaalsContact CE1-C 3.42Å; Y104-G106 PolarHBondContact O-N 2.74Å; Y104-G106 VanDerWaalsContact O-N 3.12Å
107T97.2Very high95.8Very high69 Ų6981 Ų8142%0.42343%0.427SS..EExtended strand (participates in β ladder)trans-88.3133.4175.2-46.30000110.2Y97 I98 Y104 I109Y97-T107 CarbonylContact C-O 3.59Å; Y97-T107 VanDerWaalsContact CA-O 3.31Å; Y97-T107 WeakPolarHBondContact CA-O 3.46Å; I98-T107 PolarHBondContact N-O 3.47Å; I98-T107 PolarHBondContact O-N 2.87Å; Y104-T107 PolarHBondContact OH-OG1 3.27Å; Y104-T107 VanDerWaalsContact OH-OG1 3.1Å; T107-I109 HydrophobicContact CG2-CD1 4.26Å; T107-I109 HydrophobicContact CG2-CG1 4.1Å
108Y96.1Very high95.7Very high126 Ų12682.1 Ų82.149%0.49443%0.43SS..EExtended strand (participates in β ladder)trans-79.6117.5176.7-167.1-109.3000110.6F95 Y97F95-Y108 HydrophobicContact CB-CD1 4.33Å; F95-Y108 HydrophobicContact CB-CD2 4.27Å; F95-Y108 HydrophobicContact CB-CE1 3.53Å; F95-Y108 HydrophobicContact CB-CE2 3.47Å; F95-Y108 VanDerWaalsContact CB-CE2 3.47Å; F95-Y108 WeakPolarHBondContact CB-OH 3.36Å; F95-Y108 AromaticContact CD1-CD1 3.84Å; F95-Y108 HydrophobicContact CD1-CD1 3.84Å; F95-Y108 AromaticContact CD1-CE1 3.23Å; F95-Y108 HydrophobicContact CD1-CE1 3.23Å; F95-Y108 AromaticContact CD1-CZ 3.77Å; F95-Y108 HydrophobicContact CD2-CE1 4.1Å; F95-Y108 AromaticContact CD2-CZ 3.99Å; F95-Y108 WeakPolarHBondContact CD2-OH 3.12Å; F95-Y108 HydrophobicContact CE1-CD1 4.5Å; F95-Y108 AromaticContact CE1-CE1 3.88Å; F95-Y108 HydrophobicContact CE1-CE1 3.88Å; F95-Y108 HydrophobicContact CG-CD1 4.3Å; F95-Y108 AromaticContact CG-CE1 3.36Å; F95-Y108 HydrophobicContact CG-CE1 3.36Å; F95-Y108 HydrophobicContact CG-CE2 4.25Å; F95-Y108 AromaticContact CG-CZ 3.36Å; F95-Y108 WeakPolarHBondContact CG-OH 3.26Å; Y97-Y108 HydrophobicContact CD1-CD2 4.24Å; Y97-Y108 HydrophobicContact CD2-CD2 4.31Å; Y97-Y108 AromaticContact CE1-CD2 3.77Å; Y97-Y108 HydrophobicContact CE1-CD2 3.77Å; Y97-Y108 HydrophobicContact CE1-CG 4.38Å; Y97-Y108 AromaticContact CE2-CD2 3.84Å; Y97-Y108 HydrophobicContact CE2-CD2 3.84Å; Y97-Y108 HydrophobicContact CE2-CE2 4.15Å; Y97-Y108 HydrophobicContact CG-CD2 4.5Å; Y97-Y108 AromaticContact CZ-CD2 3.56Å
109I96.8Very high95.8Very high71 Ų7181.1 Ų81.136%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-132.4139.5-174.2-66.5173.6000109.9F95 R96 I98 T107F95-I109 WeakPolarHBondContact CA-O 3.49Å; R96-I109 PolarHBondContact N-O 3.27Å; R96-I109 PolarHBondContact O-N 2.93Å; R96-I109 VanDerWaalsContact O-O 3.14Å; I98-I109 HydrophobicContact CB-CD1 4.16Å; I98-I109 HydrophobicContact CD1-CB 4.13Å; I98-I109 HydrophobicContact CD1-CD1 3.9Å; I98-I109 HydrophobicContact CD1-CG2 4.19Å; I98-I109 HydrophobicContact CG1-CB 4.47Å; I98-I109 HydrophobicContact CG1-CD1 4.25Å; T107-I109 HydrophobicContact CG2-CD1 4.26Å; T107-I109 HydrophobicContact CG2-CG1 4.1Å
110A96.8Very high96Very high48 Ų4879.3 Ų79.340%0.39740%0.403SS..EExtended strand (participates in β ladder)trans-75126169.700000109.8T93 F95T93-A110 HydrophobicContact CG2-CB 4.46Å; F95-A110 HydrophobicContact CD1-CB 3.93Å; F95-A110 HydrophobicContact CE1-CB 3.81Å
111S95.9Very high96Very high20 Ų2072.5 Ų72.514%0.1438%0.375CS..EExtended strand (participates in β ladder)trans-117.9130.2178.5-1660000109.1T93 H94 R96T93-S111 VanDerWaalsContact CA-O 3.32Å; T93-S111 WeakPolarHBondContact CA-O 3.47Å; H94-S111 PolarHBondContact CE1-O 2.9Å; H94-S111 PolarHBondContact N-O 3.4Å; H94-S111 PolarHBondContact ND1-O 2.78Å; H94-S111 VanDerWaalsContact ND1-O 3.15Å; H94-S111 PolarHBondContact O-N 3.35Å; H94-S111 VanDerWaalsContact O-O 3.14Å; R96-S111 VanDerWaalsContact NE-CB 3.29Å; R96-S111 PolarHBondContact NE-OG 2.91Å
112E96.4Very high96Very high72 Ų7269 Ų6934%0.33635%0.354SS..EExtended strand (participates in β ladder)trans-71.4145.1-179.8-49.4106.316300110.9I87 L88 G90 T93I87-E112 HydrophobicContact CG2-CB 3.57Å; I87-E112 HydrophobicContact CG2-CG 4.35Å; L88-E112 WeakPolarHBondContact O-CG 3.37Å; G90-E112 PolarHBondContact N-OE1 2.69Å; T93-E112 HydrophobicContact CG2-CG 4.01Å
113A96.3Very high96.1Very high23 Ų2364.6 Ų64.619%0.1932%0.316CS..  trans-108143.9174.100000110.6N92N92-A113 PolarHBondContact ND2-O 2.86Å; N92-A113 VanDerWaalsContact O-CB 3.3Å; N92-A113 WeakPolarHBondContact O-CB 3.32Å; N92-A113 PolarHBondContact O-N 3.41Å
114P96.9Very high96Very high36 Ų3656.8 Ų56.823%0.23427%0.274CS..  trans-67.7140.817829.1-34.2000111.3T23 W85 V86 I87T23-P114 HydrophobicContact CG2-CG 4.14Å; W85-P114 HydrophobicContact CB-CB 3.93Å; W85-P114 HydrophobicContact CD2-CB 3.8Å; W85-P114 HydrophobicContact CD2-CG 3.99Å; W85-P114 HydrophobicContact CE3-CB 4.05Å; W85-P114 HydrophobicContact CE3-CG 4.02Å; W85-P114 HydrophobicContact CG-CB 3.78Å; W85-P114 HydrophobicContact CG-CG 4.45Å; W85-P114 HydrophobicContact CH2-CG 4.17Å; W85-P114 HydrophobicContact CZ2-CG 4.23Å; W85-P114 HydrophobicContact CZ3-CG 4.12Å; V86-P114 WeakPolarHBondContact O-CA 3.36Å; I87-P114 HydrophobicContact CG1-CB 4.11Å
115L96.8Very high95.7Very high16 Ų1655 Ų558%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-107.3155.6170-71.4169.7000109.6I64 W85 V86 L88 N92 I120I64-L115 HydrophobicContact CD1-CD1 3.95Å; I64-L115 HydrophobicContact CG1-CD1 3.97Å; I64-L115 HydrophobicContact CG2-CD1 4.42Å; W85-L115 CarbonylContact C-O 3.56Å; W85-L115 VanDerWaalsContact CA-O 3.26Å; W85-L115 WeakPolarHBondContact CA-O 3.46Å; V86-L115 PolarHBondContact N-O 3.22Å; V86-L115 PolarHBondContact O-N 2.86Å; L88-L115 HydrophobicContact CD1-CD1 4.05Å; L88-L115 HydrophobicContact CG-CD1 4.48Å; N92-L115 HydrophobicContact CB-CD1 4.09Å; N92-L115 HydrophobicContact CB-CD2 4.35Å; N92-L115 HydrophobicContact CB-CG 4.22Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.32Å; N92-L115 WeakPolarHBondContact ND2-CG 3.44Å; L115-I120 HydrophobicContact CB-CD1 3.7Å; L115-I120 HydrophobicContact CB-CG1 4.25Å; L115-I120 HydrophobicContact CD1-CD1 3.86Å; L115-I120 HydrophobicContact CD1-CG1 4.13Å; L115-I120 HydrophobicContact CG-CD1 4.43Å
116L96.4Very high95.7Very high79 Ų7947.7 Ų47.741%0.41426%0.257SS..EExtended strand (participates in β ladder)trans-78.6151.9170.8-70163000109.8N84 R118 D119N84-L116 WeakPolarHBondContact O-CA 3.44Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-R118 VanDerWaalsContact O-N 3.17Å; L116-D119 PolarHBondContact O-N 2.76Å
117I95.1Very high95.5Very high25 Ų2549.7 Ų49.713%0.12827%0.265CS..G310 helixtrans-58.7-28.5177.6-167.1158.5000113.2I49 W54 V56 N84 D119 I120I49-I117 HydrophobicContact CD1-CG2 4.03Å; W54-I117 HydrophobicContact CD2-CD1 4.15Å; W54-I117 HydrophobicContact CE3-CD1 4.04Å; W54-I117 HydrophobicContact CH2-CB 4.26Å; W54-I117 HydrophobicContact CH2-CD1 3.51Å; W54-I117 HydrophobicContact CH2-CG1 4.44Å; W54-I117 HydrophobicContact CZ2-CD1 3.62Å; W54-I117 HydrophobicContact CZ3-CD1 3.75Å; V56-I117 HydrophobicContact CB-CD1 4.3Å; V56-I117 HydrophobicContact CG2-CD1 4Å; V56-I117 HydrophobicContact CG2-CG1 4.21Å; N84-I117 HydrophobicContact CB-CG2 4.07Å; N84-I117 PolarHBondContact O-N 3.36Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.28Å; I117-I120 PolarHBondContact O-N 2.93Å; I117-I120 VanDerWaalsContact O-O 3.1Å
118R94.8Very high95.3Very high166 Ų16655.3 Ų55.363%0.62628%0.279SS*.G310 helixtrans-70.7-24.8177.3-66.7179.7169.4-150.1-9.4113.8E47 L116 I120E47-R118 VanDerWaalsContact CD-NE 3.25Å; E47-R118 IonicContact OE1-CZ 3.59Å; E47-R118 IonicContact OE1-NE 3.76Å; E47-R118 PolarHBondContact OE1-NE 3.21Å; E47-R118 VanDerWaalsContact OE1-NE 3.1Å; E47-R118 IonicContact OE1-NH1 3.52Å; E47-R118 PolarHBondContact OE1-NH1 2.84Å; E47-R118 IonicContact OE1-NH2 2.87Å; E47-R118 PolarHBondContact OE1-NH2 2.67Å; E47-R118 IonicContact OE2-CZ 3.19Å; E47-R118 IonicContact OE2-NE 3.65Å; E47-R118 PolarHBondContact OE2-NE 2.81Å; E47-R118 IonicContact OE2-NH2 2.77Å; E47-R118 PolarHBondContact OE2-NH2 3.16Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-R118 VanDerWaalsContact O-N 3.17Å; R118-I120 PolarHBondContact O-N 3.13Å
119D96.2Very high95.2Very high46 Ų4655.1 Ų55.125%0.24628%0.28CS..G310 helixtrans-85.86.7-178.2-64.4-43.4000112.2L65 S66 L116 I117L65-D119 PolarHBondContact N-O 3.35Å; S66-D119 WeakPolarHBondContact OG-CB 3.33Å; S66-D119 PolarHBondContact OG-OD1 3.09Å; L116-D119 PolarHBondContact O-N 2.76Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.28Å
120I96.8Very high95.2Very high15 Ų1553.7 Ų53.78%0.07728%0.275CS..EExtended strand (participates in β ladder)trans-136143.7-172.2-66.1177.7000109.2V62 E63 V86 L88 L115 I117 R118V62-I120 HydrophobicContact CB-CG2 3.32Å; V62-I120 HydrophobicContact CG1-CG2 3.85Å; V62-I120 HydrophobicContact CG2-CG2 3.45Å; V62-I120 VanDerWaalsContact CG2-CG2 3.45Å; E63-I120 CarbonylContact O-C 3.52Å; E63-I120 WeakPolarHBondContact O-CA 2.98Å; V86-I120 HydrophobicContact CB-CD1 4.03Å; V86-I120 HydrophobicContact CG1-CD1 4.17Å; L88-I120 HydrophobicContact CD1-CD1 4.01Å; L88-I120 HydrophobicContact CD2-CD1 4.24Å; L88-I120 HydrophobicContact CG-CD1 4.21Å; L115-I120 HydrophobicContact CB-CD1 3.7Å; L115-I120 HydrophobicContact CB-CG1 4.25Å; L115-I120 HydrophobicContact CD1-CD1 3.86Å; L115-I120 HydrophobicContact CD1-CG1 4.13Å; L115-I120 HydrophobicContact CG-CD1 4.43Å; I117-I120 PolarHBondContact O-N 2.93Å; I117-I120 VanDerWaalsContact O-O 3.1Å; R118-I120 PolarHBondContact O-N 3.13Å
121S96.6Very high95.1Very high17 Ų1751.8 Ų51.812%0.11926%0.259CS..EExtended strand (participates in β ladder)trans-123.3145.2171.5175.90000110.9V62 E63 P130 T131V62-S121 CarbonylContact C-O 3.56Å; V62-S121 VanDerWaalsContact CA-O 3.25Å; V62-S121 WeakPolarHBondContact CA-O 3.25Å; V62-S121 WeakPolarHBondContact CB-O 3.34Å; E63-S121 PolarHBondContact N-O 3.18Å; E63-S121 PolarHBondContact O-N 2.86Å; S121-P130 WeakPolarHBondContact OG-CB 3.28Å; S121-T131 PolarHBondContact OG-N 3.12Å; S121-T131 VanDerWaalsContact OG-N 3.09Å; S121-T131 PolarHBondContact OG-O 2.73Å
122L96.4Very high95.1Very high8 Ų857.9 Ų57.94%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-69.6137.5173.1-79.4163.4000109.8V56 D60 V62 T131 V133V56-L122 HydrophobicContact CG2-CD1 4.4Å; V56-L122 HydrophobicContact CG2-CD2 4.46Å; V56-L122 HydrophobicContact CG2-CG 4.25Å; D60-L122 HydrophobicContact CB-CD2 3.85Å; V62-L122 HydrophobicContact CG1-CD2 3.81Å; V62-L122 HydrophobicContact CG1-CG 4.44Å; L122-T131 PolarHBondContact O-N 2.88Å; L122-T131 PolarHBondContact O-OG1 3.5Å; L122-V133 HydrophobicContact CB-CG2 3.98Å; L122-V133 HydrophobicContact CD1-CB 4.08Å; L122-V133 HydrophobicContact CD1-CG1 4.39Å; L122-V133 HydrophobicContact CD1-CG2 3.72Å; L122-V133 HydrophobicContact CG-CG2 4.5Å
123V95.6Very high95Very high12 Ų1255.9 Ų55.97%0.07328%0.278CS..EExtended strand (participates in β ladder)trans-90.4127.6175.5175.90000108.5T61 E63 Q73 R128T61-V123 HydrophobicContact CG2-CB 4.38Å; T61-V123 PolarHBondContact O-N 3.45Å; T61-V123 VanDerWaalsContact O-N 3.15Å; E63-V123 HydrophobicContact CB-CG2 3.87Å; Q73-V123 HydrophobicContact CG-CG2 4.04Å; V123-R128 VanDerWaalsContact CG1-CA 3.5Å; V123-R128 HydrophobicContact CG1-CB 4.31Å
124D94.5Very high95Very high0 Ų057.8 Ų57.80%028%0.283CS..PPolyproline II helixtrans-69.8127.9173.4172.9-2.4000109.5T126 D127 R128 K129 T131 T150D124-T126 PolarHBondContact O-N 3.16Å; D124-T126 VanDerWaalsContact O-N 3.11Å; D124-T126 WeakPolarHBondContact OD1-CB 3.46Å; D124-T126 PolarHBondContact OD1-N 2.98Å; D124-T126 PolarHBondContact OD1-OG1 2.95Å; D124-D127 VanDerWaalsContact CB-OD1 3.32Å; D124-D127 WeakPolarHBondContact CB-OD1 3.31Å; D124-R128 WeakPolarHBondContact O-CA 3.45Å; D124-R128 PolarHBondContact O-N 3.3Å; D124-K129 PolarHBondContact N-O 3.33Å; D124-T131 HydrophobicContact CB-CG2 3.82Å; D124-T150 VanDerWaalsContact OD2-CB 3.26Å; D124-T150 WeakPolarHBondContact OD2-CB 3.45Å; D124-T150 WeakPolarHBondContact OD2-CG2 3.04Å; D124-T150 PolarHBondContact OD2-OG1 3.37Å
125P90.8Very high94.9Very high80 Ų8059.3 Ų59.352%0.51928%0.284SS..THydrogen-bonded Turntrans-59.3-21.1-179.924.4-36.1000114.2
126T91.4Very high94.8Very high64 Ų6464.8 Ų64.839%0.39330%0.304SS..THydrogen-bonded Turntrans-76.6-56.7-176.3-60.60000112.9D124 R152D124-T126 PolarHBondContact O-N 3.16Å; D124-T126 VanDerWaalsContact O-N 3.11Å; D124-T126 WeakPolarHBondContact OD1-CB 3.46Å; D124-T126 PolarHBondContact OD1-N 2.98Å; D124-T126 PolarHBondContact OD1-OG1 2.95Å; T126-R152 VanDerWaalsContact CG2-CZ 3.47Å; T126-R152 WeakPolarHBondContact OG1-CD 3.42Å; T126-R152 PolarHBondContact OG1-NH1 3.46Å
127D91.4Very high94.8Very high50 Ų5068.1 Ų68.127%0.26732%0.315SS..THydrogen-bonded Turntrans-110.6-3.3-168.360.17.1000112.3D124 K129 R149 T150D124-D127 VanDerWaalsContact CB-OD1 3.32Å; D124-D127 WeakPolarHBondContact CB-OD1 3.31Å; D127-K129 HydrophobicContact CB-CG 4.39Å; D127-K129 VanDerWaalsContact O-CG 3.22Å; D127-K129 WeakPolarHBondContact O-CG 3.28Å; D127-K129 PolarHBondContact O-N 3.08Å; D127-K129 VanDerWaalsContact O-N 3.15Å; D127-K129 PolarHBondContact OD1-N 2.92Å; D127-R149 IonicContact OD1-CZ 2.9Å; D127-R149 IonicContact OD1-NH2 2.99Å; D127-R149 PolarHBondContact OD1-NH2 2.89Å; D127-R149 IonicContact OD2-CZ 2.68Å; D127-R149 IonicContact OD2-NE 2.93Å; D127-R149 PolarHBondContact OD2-NE 3.24Å; D127-R149 IonicContact OD2-NH2 2.78Å; D127-R149 PolarHBondContact OD2-NH2 3.27Å; D127-T150 WeakPolarHBondContact OD2-CG2 3.33Å
128R93.1Very high94.8Very high187 Ų18768.8 Ų68.871%0.70632%0.321SS*.  trans54.629.4176.1-56.5-178.4-178.2170.60.8114Q73 V123 D124Q73-R128 PolarHBondContact NE2-O 3.43Å; V123-R128 VanDerWaalsContact CG1-CA 3.5Å; V123-R128 HydrophobicContact CG1-CB 4.31Å; D124-R128 WeakPolarHBondContact O-CA 3.45Å; D124-R128 PolarHBondContact O-N 3.3Å
129K94.4Very high94.7Very high123 Ų12370.9 Ų70.954%0.53534%0.338SS..SBendtrans-113.3162172.2-14175.2163.8173.80110.7D124 D127 R149D124-K129 PolarHBondContact N-O 3.33Å; D127-K129 HydrophobicContact CB-CG 4.39Å; D127-K129 VanDerWaalsContact O-CG 3.22Å; D127-K129 WeakPolarHBondContact O-CG 3.28Å; D127-K129 PolarHBondContact O-N 3.08Å; D127-K129 VanDerWaalsContact O-N 3.15Å; D127-K129 PolarHBondContact OD1-N 2.92Å; K129-R149 VanDerWaalsContact CB-NH2 3.26Å; K129-R149 PolarHBondContact O-NH2 3.22Å
130P96Very high94.6Very high40 Ų4076.7 Ų76.726%0.2636%0.363SS..EExtended strand (participates in β ladder)trans-67.4141.3-176.628-31000110.1E63 S121 R149E63-P130 HydrophobicContact CB-CB 4.25Å; E63-P130 WeakPolarHBondContact OE2-CD 3.49Å; S121-P130 WeakPolarHBondContact OG-CB 3.28Å; P130-R149 PolarHBondContact O-NH1 3.28Å
131T95.5Very high94.5Very high9 Ų978.4 Ų78.46%0.05538%0.384CS..EExtended strand (participates in β ladder)trans-142.4148.8-17956.90000111.7S121 L122 D124 S147 R149S121-T131 PolarHBondContact OG-N 3.12Å; S121-T131 VanDerWaalsContact OG-N 3.09Å; S121-T131 PolarHBondContact OG-O 2.73Å; L122-T131 PolarHBondContact O-N 2.88Å; L122-T131 PolarHBondContact O-OG1 3.5Å; D124-T131 HydrophobicContact CB-CG2 3.82Å; T131-S147 VanDerWaalsContact CB-OG 3.26Å; T131-S147 WeakPolarHBondContact CB-OG 3.19Å; T131-S147 WeakPolarHBondContact CG2-OG 3.2Å; T131-S147 PolarHBondContact OG1-OG 3.13Å; T131-R149 HydrophobicContact CG2-CB 3.71Å
132E95Very high94.4Very high147 Ų14783.3 Ų83.369%0.68741%0.405SS*.  trans-81.3148.1164.4-68.2-179.3-176.200109.8L148E132-L148 HydrophobicContact CB-CD1 3.85Å; E132-L148 PolarHBondContact O-N 3.39Å
133V95.7Very high94.3Very high31 Ų3186.8 Ų86.819%0.18842%0.42CS..EExtended strand (participates in β ladder)trans-130.1135.3-172.2172.90000108.9L122 R145 V146 V154L122-V133 HydrophobicContact CB-CG2 3.98Å; L122-V133 HydrophobicContact CD1-CB 4.08Å; L122-V133 HydrophobicContact CD1-CG1 4.39Å; L122-V133 HydrophobicContact CD1-CG2 3.72Å; L122-V133 HydrophobicContact CG-CG2 4.5Å; V133-R145 HydrophobicContact CG1-CB 3.54Å; V133-R145 HydrophobicContact CG1-CG 4.01Å; V133-V146 WeakPolarHBondContact CA-O 3.48Å; V133-V154 HydrophobicContact CG2-CG2 4.39Å
134E95.3Very high94.3Very high63 Ų6387.4 Ų87.429%0.29442%0.424SS..EExtended strand (participates in β ladder)trans-116.7157.6172.164.1178.7168.900111R136 V146 L148E134-R136 HydrophobicContact CG-CG 4.26Å; E134-R136 IonicContact OE1-CZ 2.59Å; E134-R136 IonicContact OE1-NE 2.69Å; E134-R136 PolarHBondContact OE1-NE 2.88Å; E134-R136 IonicContact OE1-NH2 2.7Å; E134-R136 PolarHBondContact OE1-NH2 3.35Å; E134-V146 PolarHBondContact N-O 3.15Å; E134-V146 PolarHBondContact O-N 3.02Å; E134-L148 HydrophobicContact CB-CD2 4.39Å; E134-L148 HydrophobicContact CG-CD2 3.81Å; E134-L148 HydrophobicContact CG-CG 4.37Å; E134-L148 VanDerWaalsContact OE1-CD2 3.29Å; E134-L148 WeakPolarHBondContact OE1-CD2 3.39Å
135W95.3Very high94.3Very high68 Ų6887.6 Ų87.626%0.25843%0.425SS..EExtended strand (participates in β ladder)trans-90126.3174.7-73.3103.3000110.1E52 D53 W54 F57 K143 V144 R145E52-W135 PolarHBondContact O-NE1 3.22Å; D53-W135 PolarHBondContact O-NE1 3.2Å; W54-W135 WeakPolarHBondContact O-CZ2 3.4Å; F57-W135 AromaticContact CE2-CH2 3.91Å; F57-W135 HydrophobicContact CE2-CH2 3.91Å; F57-W135 HydrophobicContact CE2-CZ2 4.05Å; F57-W135 HydrophobicContact CZ-CH2 4.04Å; F57-W135 HydrophobicContact CZ-CZ2 4.07Å; W135-K143 VanDerWaalsContact CB-CE 3.47Å; W135-K143 HydrophobicContact CD2-CD 4.41Å; W135-K143 HydrophobicContact CD2-CG 4.49Å; W135-K143 HydrophobicContact CE3-CD 4.03Å; W135-K143 HydrophobicContact CE3-CG 3.74Å; W135-K143 HydrophobicContact CZ3-CG 4.26Å; W135-V144 WeakPolarHBondContact CA-O 3.34Å; W135-R145 HydrophobicContact CD2-CG 4.06Å; W135-R145 HydrophobicContact CE3-CG 3.77Å; W135-R145 HydrophobicContact CH2-CG 3.51Å; W135-R145 HydrophobicContact CZ2-CG 3.74Å; W135-R145 HydrophobicContact CZ3-CG 3.52Å
136R95.2Very high94.6Very high131 Ų13184.2 Ų84.249%0.49440%0.402SS..EExtended strand (participates in β ladder)trans-127.8165.9172.6-63.5-170.6-179.8-175.4-0.1110.1E134 V144 V146E134-R136 HydrophobicContact CG-CG 4.26Å; E134-R136 IonicContact OE1-CZ 2.59Å; E134-R136 IonicContact OE1-NE 2.69Å; E134-R136 PolarHBondContact OE1-NE 2.88Å; E134-R136 IonicContact OE1-NH2 2.7Å; E134-R136 PolarHBondContact OE1-NH2 3.35Å; R136-V144 PolarHBondContact N-O 3.48Å; R136-V144 PolarHBondContact O-N 2.78Å; R136-V144 VanDerWaalsContact O-O 3.07Å; R136-V146 HydrophobicContact CB-CG2 3.94Å; R136-V146 HydrophobicContact CG-CB 4.38Å; R136-V146 HydrophobicContact CG-CG2 4.09Å
137F95.4Very high94.8Very high148 Ų14881.1 Ų81.165%0.64938%0.383SS*.EExtended strand (participates in β ladder)trans-104139.1172-69-87.9000109.3E142 K143F137-E142 WeakPolarHBondContact CA-O 3.36Å; F137-K143 HydrophobicContact CD1-CB 4.05Å; F137-K143 HydrophobicContact CD1-CG 4.35Å; F137-K143 HydrophobicContact CE1-CB 3.73Å; F137-K143 HydrophobicContact CE1-CD 4.39Å; F137-K143 HydrophobicContact CE1-CG 3.92Å; F137-K143 HydrophobicContact CZ-CB 4.34Å; F137-K143 HydrophobicContact CZ-CD 4.18Å; F137-K143 HydrophobicContact CZ-CG 4.03Å
138T94.8Very high95Very high40 Ų4083.1 Ų83.125%0.24539%0.393CS..  trans-76.1169.1168.661.50000110.5E140 G141 E142 V144 I153T138-E140 PolarHBondContact O-N 3.36Å; T138-G141 PolarHBondContact O-N 2.83Å; T138-E142 PolarHBondContact N-O 2.97Å; T138-E142 WeakPolarHBondContact OG1-CB 3.46Å; T138-E142 PolarHBondContact OG1-N 2.86Å; T138-E142 VanDerWaalsContact OG1-N 3.1Å; T138-E142 PolarHBondContact OG1-O 3.08Å; T138-V144 HydrophobicContact CG2-CB 4.37Å; T138-V144 HydrophobicContact CG2-CG1 3.76Å; T138-V144 HydrophobicContact CG2-CG2 3.67Å; T138-I153 HydrophobicContact CG2-CD1 4.5Å
139E94.4Very high94.9Very high210 Ų21079.2 Ų79.298%0.98138%0.379SS*.THydrogen-bonded Turntrans-61-28.3174.4-62179.2-179.200112.3G141E139-G141 PolarHBondContact O-N 3.31Å
140E94.1Very high94.9Very high168 Ų16875.7 Ų75.779%0.78537%0.368SS*.THydrogen-bonded Turntrans-76.6-6.6175.2-60.617717600113T138T138-E140 PolarHBondContact O-N 3.36Å
141G94.6Very high94.7Very high50 Ų5076.2 Ų76.252%0.51538%0.38SS..SBendtrans877.2-178.900000114.7T138 E139T138-G141 PolarHBondContact O-N 2.83Å; E139-G141 PolarHBondContact O-N 3.31Å
142E93.8Very high94.6Very high120 Ų12082.3 Ų82.356%0.56140%0.402SS*.  trans-78.5132177.7-58.2-163.7151.700111.5F137 T138 V144F137-E142 WeakPolarHBondContact CA-O 3.36Å; T138-E142 PolarHBondContact N-O 2.97Å; T138-E142 WeakPolarHBondContact OG1-CB 3.46Å; T138-E142 PolarHBondContact OG1-N 2.86Å; T138-E142 VanDerWaalsContact OG1-N 3.1Å; T138-E142 PolarHBondContact OG1-O 3.08Å; E142-V144 HydrophobicContact CB-CG1 4.48Å; E142-V144 PolarHBondContact O-N 3.1Å
143K93.7Very high94.6Very high82 Ų8279.5 Ų79.536%0.35739%0.391SS..EExtended strand (participates in β ladder)trans-79.6112.6176.5-162.8-175-179.7-176.30109.9E52 W135 F137E52-K143 PolarHBondContact O-NZ 2.92Å; W135-K143 VanDerWaalsContact CB-CE 3.47Å; W135-K143 HydrophobicContact CD2-CD 4.41Å; W135-K143 HydrophobicContact CD2-CG 4.49Å; W135-K143 HydrophobicContact CE3-CD 4.03Å; W135-K143 HydrophobicContact CE3-CG 3.74Å; W135-K143 HydrophobicContact CZ3-CG 4.26Å; F137-K143 HydrophobicContact CD1-CB 4.05Å; F137-K143 HydrophobicContact CD1-CG 4.35Å; F137-K143 HydrophobicContact CE1-CB 3.73Å; F137-K143 HydrophobicContact CE1-CD 4.39Å; F137-K143 HydrophobicContact CE1-CG 3.92Å; F137-K143 HydrophobicContact CZ-CB 4.34Å; F137-K143 HydrophobicContact CZ-CD 4.18Å; F137-K143 HydrophobicContact CZ-CG 4.03Å
144V95.3Very high94.5Very high25 Ų2578.4 Ų78.415%0.15238%0.384CS..EExtended strand (participates in β ladder)trans-120.9156-176.9-620000112.2W135 R136 T138 E142 V146 I153W135-V144 WeakPolarHBondContact CA-O 3.34Å; R136-V144 PolarHBondContact N-O 3.48Å; R136-V144 PolarHBondContact O-N 2.78Å; R136-V144 VanDerWaalsContact O-O 3.07Å; T138-V144 HydrophobicContact CG2-CB 4.37Å; T138-V144 HydrophobicContact CG2-CG1 3.76Å; T138-V144 HydrophobicContact CG2-CG2 3.67Å; E142-V144 HydrophobicContact CB-CG1 4.48Å; E142-V144 PolarHBondContact O-N 3.1Å; V144-V146 HydrophobicContact CG2-CG2 4.15Å; V144-I153 HydrophobicContact CB-CG2 4.01Å; V144-I153 HydrophobicContact CG1-CG2 4.39Å; V144-I153 HydrophobicContact CG2-CD1 4.32Å; V144-I153 HydrophobicContact CG2-CG1 4.27Å; V144-I153 HydrophobicContact CG2-CG2 4.38Å
145R95.6Very high94.3Very high4 Ų479.5 Ų79.52%0.01540%0.397CS..EExtended strand (participates in β ladder)trans-88.4128.7173.5-69.9-176.7-59.3177.22.4109S55 D60 V133 W135 I153 V154 P155S55-R145 VanDerWaalsContact O-CD 3.3Å; S55-R145 WeakPolarHBondContact O-CD 3.26Å; S55-R145 PolarHBondContact O-NH1 3.38Å; D60-R145 IonicContact OD1-CZ 2.7Å; D60-R145 IonicContact OD1-NH1 2.74Å; D60-R145 PolarHBondContact OD1-NH1 3.17Å; D60-R145 IonicContact OD1-NH2 2.73Å; D60-R145 PolarHBondContact OD1-NH2 3.32Å; D60-R145 IonicContact OD2-CZ 2.61Å; D60-R145 IonicContact OD2-NH1 2.69Å; D60-R145 PolarHBondContact OD2-NH1 3.49Å; D60-R145 IonicContact OD2-NH2 3.05Å; V133-R145 HydrophobicContact CG1-CB 3.54Å; V133-R145 HydrophobicContact CG1-CG 4.01Å; W135-R145 HydrophobicContact CD2-CG 4.06Å; W135-R145 HydrophobicContact CE3-CG 3.77Å; W135-R145 HydrophobicContact CH2-CG 3.51Å; W135-R145 HydrophobicContact CZ2-CG 3.74Å; W135-R145 HydrophobicContact CZ3-CG 3.52Å; R145-I153 CarbonylContact O-C 3.6Å; R145-I153 WeakPolarHBondContact O-CA 3.26Å; R145-V154 HydrophobicContact CB-CB 4.2Å; R145-V154 PolarHBondContact NE-O 2.67Å; R145-V154 PolarHBondContact O-N 3.31Å; R145-P155 PolarHBondContact NH2-O 3.01Å
146V95.8Very high94.2Very high8 Ų882.5 Ų82.55%0.04841%0.412CS..EExtended strand (participates in β ladder)trans-120131178.9-178.40000109.7V133 E134 R136 V144 G151 R152 I153V133-V146 WeakPolarHBondContact CA-O 3.48Å; E134-V146 PolarHBondContact N-O 3.15Å; E134-V146 PolarHBondContact O-N 3.02Å; R136-V146 HydrophobicContact CB-CG2 3.94Å; R136-V146 HydrophobicContact CG-CB 4.38Å; R136-V146 HydrophobicContact CG-CG2 4.09Å; V144-V146 HydrophobicContact CG2-CG2 4.15Å; V146-G151 WeakPolarHBondContact CG1-O 2.99Å; V146-R152 WeakPolarHBondContact CA-O 3.21Å; V146-I153 HydrophobicContact CG2-CG1 4.37Å
147S96.6Very high94.1Very high0 Ų077.5 Ų77.50%040%0.396CS..EExtended strand (participates in β ladder)trans-71.6127.9174.7-178.20000110.2T131 R149 G151 R152T131-S147 VanDerWaalsContact CB-OG 3.26Å; T131-S147 WeakPolarHBondContact CB-OG 3.19Å; T131-S147 WeakPolarHBondContact CG2-OG 3.2Å; T131-S147 PolarHBondContact OG1-OG 3.13Å; S147-R149 PolarHBondContact O-N 3.04Å; S147-R149 PolarHBondContact OG-N 3.19Å; S147-G151 WeakPolarHBondContact O-CA 3.34Å; S147-G151 PolarHBondContact O-N 3.4Å; S147-R152 PolarHBondContact N-O 3.15Å
148L94.5Very high93.9Very high91 Ų9177.7 Ų77.748%0.47641%0.409SS..THydrogen-bonded Turntrans-67.3-25176.9-73.5178000112.8E132 E134E132-L148 HydrophobicContact CB-CD1 3.85Å; E132-L148 PolarHBondContact O-N 3.39Å; E134-L148 HydrophobicContact CB-CD2 4.39Å; E134-L148 HydrophobicContact CG-CD2 3.81Å; E134-L148 HydrophobicContact CG-CG 4.37Å; E134-L148 VanDerWaalsContact OE1-CD2 3.29Å; E134-L148 WeakPolarHBondContact OE1-CD2 3.39Å
149R92.6Very high93.6Very high106 Ų10680.4 Ų80.440%0.442%0.418SS..THydrogen-bonded Turntrans-77.6-49.3-177.5-176.5170.367.8-140.3-8.3112.6D127 K129 P130 T131 S147D127-R149 IonicContact OD1-CZ 2.9Å; D127-R149 IonicContact OD1-NH2 2.99Å; D127-R149 PolarHBondContact OD1-NH2 2.89Å; D127-R149 IonicContact OD2-CZ 2.68Å; D127-R149 IonicContact OD2-NE 2.93Å; D127-R149 PolarHBondContact OD2-NE 3.24Å; D127-R149 IonicContact OD2-NH2 2.78Å; D127-R149 PolarHBondContact OD2-NH2 3.27Å; K129-R149 VanDerWaalsContact CB-NH2 3.26Å; K129-R149 PolarHBondContact O-NH2 3.22Å; P130-R149 PolarHBondContact O-NH1 3.28Å; T131-R149 HydrophobicContact CG2-CB 3.71Å; S147-R149 PolarHBondContact O-N 3.04Å; S147-R149 PolarHBondContact OG-N 3.19Å
150T93.2Very high93.3Very high49 Ų4978 Ų7830%0.30141%0.407SS..THydrogen-bonded Turntrans-105.6-9.5-173.759.90000113.2D124 D127 R152D124-T150 VanDerWaalsContact OD2-CB 3.26Å; D124-T150 WeakPolarHBondContact OD2-CB 3.45Å; D124-T150 WeakPolarHBondContact OD2-CG2 3.04Å; D124-T150 PolarHBondContact OD2-OG1 3.37Å; D127-T150 WeakPolarHBondContact OD2-CG2 3.33Å; T150-R152 PolarHBondContact O-N 3.3Å; T150-R152 PolarHBondContact OG1-N 3.42Å
151G92.8Very high93Very high50 Ų5077.5 Ų77.552%0.51540%0.397SS..  trans68.48.7-17300000113.7V146 S147V146-G151 WeakPolarHBondContact CG1-O 2.99Å; S147-G151 WeakPolarHBondContact O-CA 3.34Å; S147-G151 PolarHBondContact O-N 3.4Å
152R93.2Very high92.7Very high137 Ų13783.2 Ų83.252%0.51740%0.403SS..  trans-88.2151.7-175.9-67.8179.7178.5-159.51.1112.1T126 V146 S147 T150T126-R152 VanDerWaalsContact CG2-CZ 3.47Å; T126-R152 WeakPolarHBondContact OG1-CD 3.42Å; T126-R152 PolarHBondContact OG1-NH1 3.46Å; V146-R152 WeakPolarHBondContact CA-O 3.21Å; S147-R152 PolarHBondContact N-O 3.15Å; T150-R152 PolarHBondContact O-N 3.3Å; T150-R152 PolarHBondContact OG1-N 3.42Å
153I94.5Very high92.5Very high88 Ų8882.9 Ų82.945%0.45141%0.405SS..EExtended strand (participates in β ladder)trans-74129177.8-61.8171.3000109.5T138 V144 R145 V146 P155T138-I153 HydrophobicContact CG2-CD1 4.5Å; V144-I153 HydrophobicContact CB-CG2 4.01Å; V144-I153 HydrophobicContact CG1-CG2 4.39Å; V144-I153 HydrophobicContact CG2-CD1 4.32Å; V144-I153 HydrophobicContact CG2-CG1 4.27Å; V144-I153 HydrophobicContact CG2-CG2 4.38Å; R145-I153 CarbonylContact O-C 3.6Å; R145-I153 WeakPolarHBondContact O-CA 3.26Å; V146-I153 HydrophobicContact CG2-CG1 4.37Å; I153-P155 VanDerWaalsContact O-CD 3.3Å; I153-P155 WeakPolarHBondContact O-CD 3.47Å
154V94.1Very high92.3Very high8 Ų881.6 Ų81.65%0.04842%0.416CS..EExtended strand (participates in β ladder)trans-96.698.4171.6-176.30000108.1V133 R145V133-V154 HydrophobicContact CG2-CG2 4.39Å; R145-V154 HydrophobicContact CB-CB 4.2Å; R145-V154 PolarHBondContact NE-O 2.67Å; R145-V154 PolarHBondContact O-N 3.31Å
155P91.3Very high92.1Very high87 Ų8784.2 Ų84.257%0.56543%0.428SS*.PPolyproline II helixtrans-63.9152.3-173.627.6-35.4000111.2R145 I153R145-P155 PolarHBondContact NH2-O 3.01Å; I153-P155 VanDerWaalsContact O-CD 3.3Å; I153-P155 WeakPolarHBondContact O-CD 3.47Å
156K92.8Very high92Very high130 Ų13086.2 Ų86.257%0.56544%0.441SS*.PPolyproline II helixtrans-71.9127.5172.8-175.6175.9176.6-178.60109.2F57 V158F57-K156 HydrophobicContact CD2-CG 4.27Å; F57-K156 HydrophobicContact CG-CG 4.5Å; K156-V158 PolarHBondContact O-N 3.11Å
157P92.6Very high91.8Very high27 Ų2789.7 Ų89.718%0.17546%0.463CS..PPolyproline II helixtrans-66.7136.6-178.726.9-35.8000110F57 K58 D60 F159F57-P157 HydrophobicContact CB-CG 4.35Å; K58-P157 VanDerWaalsContact O-CG 3.27Å; K58-P157 WeakPolarHBondContact O-CG 3.37Å; D60-P157 WeakPolarHBondContact OD1-CD 3.11Å; D60-P157 WeakPolarHBondContact OD1-CG 3.4Å; P157-F159 PolarHBondContact O-N 3.49Å
158V91.3Very high91.7Very high152 Ų15298.1 Ų98.192%0.92150%0.503SS*.PPolyproline II helixtrans-72.3116.4170.7-176.60000107.4K156K156-V158 PolarHBondContact O-N 3.11Å
159F88.3Confident91.6Very high96 Ų96101.1 Ų101.142%0.42151%0.514SS..  trans-120.5147.6175.170.8-89.2000110.2P157 R161P157-F159 PolarHBondContact O-N 3.49Å; F159-R161 PolarHBondContact O-N 2.83Å
160Q88.1Confident91.7Very high161 Ų161102.3 Ų102.375%0.75252%0.519SS*.  trans-61.4135.7178.9-68.3175.1-7.600110.8
161R89.1Confident91.8Very high156 Ų156108.6 Ų108.659%0.58954%0.542SS*.  trans-57.4151177.6-60.6178.885174.75.9109.8F159 D163 G164F159-R161 PolarHBondContact O-N 2.83Å; R161-D163 PolarHBondContact O-N 3.43Å; R161-D163 VanDerWaalsContact O-N 3.14Å; R161-G164 PolarHBondContact O-N 2.8Å
162R87.8Confident92Very high170 Ų170110.6 Ų110.664%0.64254%0.541SS*.THydrogen-bonded Turntrans-60.3-27-179.5-179174.1169.1-173-8.3112.9W27 G164W27-R162 VanDerWaalsContact CH2-NH2 3.3Å; R162-G164 PolarHBondContact O-N 2.84Å
163D89.3Confident92.1Very high113 Ų113105.4 Ų105.460%0.60453%0.53SS*.THydrogen-bonded Turntrans-76.1-11.8-178-46.3-40.5000112.3R161 I165R161-D163 PolarHBondContact O-N 3.43Å; R161-D163 VanDerWaalsContact O-N 3.14Å; D163-I165 HydrophobicContact CB-CD1 4.44Å; D163-I165 HydrophobicContact CB-CG1 4.46Å; D163-I165 PolarHBondContact O-N 2.83Å
164G90.3Very high92.2Very high56 Ų56108.1 Ų108.158%0.57755%0.554SS**  trans77-4.8179.300000114.7R161 R162R161-G164 PolarHBondContact O-N 2.8Å; R162-G164 PolarHBondContact O-N 2.84Å
165I90.8Very high92.3Very high80 Ų80117.1 Ų117.141%0.4159%0.592SS.*  trans-75.9128.1179.1-58170.4000109.6D163 W170D163-I165 HydrophobicContact CB-CD1 4.44Å; D163-I165 HydrophobicContact CB-CG1 4.46Å; D163-I165 PolarHBondContact O-N 2.83Å; I165-W170 HydrophobicContact CD1-CZ3 4.3Å; I165-W170 HydrophobicContact CG2-CE3 3.74Å; I165-W170 HydrophobicContact CG2-CZ3 4.17Å
166V93.3Very high92.6Very high45 Ų45116.7 Ų116.727%0.27359%0.585SS.*  trans-101107.9171.5179.20000107.8Q168 Q169 W170V166-Q168 VanDerWaalsContact C-N 3.26Å; V166-Q168 PolarHBondContact O-N 2.69Å; V166-Q169 HydrophobicContact CB-CB 4.36Å; V166-Q169 HydrophobicContact CB-CG 4.43Å; V166-Q169 HydrophobicContact CG1-CB 4.39Å; V166-Q169 HydrophobicContact CG1-CG 4.04Å; V166-Q169 PolarHBondContact O-N 3.04Å; V166-W170 PolarHBondContact O-N 3.24Å
167P92.1Very high92.7Very high81 Ų81114.9 Ų114.953%0.52659%0.585SS.*G310 helixtrans-56.9-36.5-173.2-27.935.9000114Q169 W170P167-Q169 PolarHBondContact O-N 3.01Å; P167-W170 VanDerWaalsContact O-CB 3.3Å; P167-W170 WeakPolarHBondContact O-CB 3.38Å; P167-W170 PolarHBondContact O-N 3.1Å; P167-W170 VanDerWaalsContact O-N 3.16Å
168Q92.9Very high92.8Very high178 Ų178115.2 Ų115.283%0.83259%0.588SS**G310 helixtrans-66.1-18.8179.8-59.9114.4-11.700113.8V166V166-Q168 VanDerWaalsContact C-N 3.26Å; V166-Q168 PolarHBondContact O-N 2.69Å
169Q94.1Very high93Very high153 Ų153111.7 Ų111.772%0.71557%0.568SS**G310 helixtrans-105.63.3-179.6-63.1178.9-4.900112.1V166 P167V166-Q169 HydrophobicContact CB-CB 4.36Å; V166-Q169 HydrophobicContact CB-CG 4.43Å; V166-Q169 HydrophobicContact CG1-CB 4.39Å; V166-Q169 HydrophobicContact CG1-CG 4.04Å; V166-Q169 PolarHBondContact O-N 3.04Å; P167-Q169 PolarHBondContact O-N 3.01Å
170W94.4Very high93.4Very high131 Ų131115.2 Ų115.250%0.49659%0.586SS.*  trans-66.5139.4-178.6-176.7-99.8000110.8I165 V166 P167 D172I165-W170 HydrophobicContact CD1-CZ3 4.3Å; I165-W170 HydrophobicContact CG2-CE3 3.74Å; I165-W170 HydrophobicContact CG2-CZ3 4.17Å; V166-W170 PolarHBondContact O-N 3.24Å; P167-W170 VanDerWaalsContact O-CB 3.3Å; P167-W170 WeakPolarHBondContact O-CB 3.38Å; P167-W170 PolarHBondContact O-N 3.1Å; P167-W170 VanDerWaalsContact O-N 3.16Å; W170-D172 VanDerWaalsContact CD1-OD1 3.23Å; W170-D172 PolarHBondContact NE1-OD1 2.7Å
171K95.1Very high93.7Very high182 Ų182113.6 Ų113.679%0.79158%0.578SS**  trans-132.1129.3173.6-66.7-175.8179-175.70107.3G173K171-G173 PolarHBondContact O-N 2.68Å
172D95.9Very high94Very high91 Ų91110.1 Ų110.149%0.48758%0.575SS.*  trans-66.7129.1-177-62-24.7000110.4W170 D176W170-D172 VanDerWaalsContact CD1-OD1 3.23Å; W170-D172 PolarHBondContact NE1-OD1 2.7Å; D172-D176 HydrophobicContact CB-CB 4.25Å
173G95.9Very high94.4Very high29 Ų29108.7 Ų108.730%0.29958%0.579SS.*  trans-83.5177.6173.700000112.2K171 K175 D176K171-G173 PolarHBondContact O-N 2.68Å; G173-K175 PolarHBondContact O-N 2.9Å; G173-D176 WeakPolarHBondContact CA-OD2 3.46Å; G173-D176 PolarHBondContact N-OD2 2.77Å; G173-D176 PolarHBondContact O-N 3.19Å
174P96.9Very high94.8Very high144 Ų144109.4 Ų109.494%0.93558%0.579SS**THydrogen-bonded Turntrans-67.1-7.6-178.128.4-36.4000114.5
175K96.8Very high95.1Very high198 Ų198116.5 Ų116.586%0.86159%0.594SS**THydrogen-bonded Turntrans-121.87-179.7-65.4-173.1177.1-174.60112.8G173G173-K175 PolarHBondContact O-N 2.9Å
176D96.3Very high95.3Very high77 Ų77117.7 Ų117.741%0.41261%0.605SS.*PPolyproline II helixtrans-98.3127.8179.1-58.5-40.4000108D172 G173D172-D176 HydrophobicContact CB-CB 4.25Å; G173-D176 WeakPolarHBondContact CA-OD2 3.46Å; G173-D176 PolarHBondContact N-OD2 2.77Å; G173-D176 PolarHBondContact O-N 3.19Å
177T95.3Very high95.4Very high93 Ų93124.2 Ų124.257%0.57163%0.626SS**PPolyproline II helixtrans-79.9143.117947.60000110.6T182T177-T182 VanDerWaalsContact OG1-CG2 3.23Å; T177-T182 WeakPolarHBondContact OG1-CG2 3.3Å
178S95.9Very high95.6Very high33 Ų33125.1 Ų125.123%0.23163%0.63CS.*PPolyproline II helixtrans-66.5153.2-177.572.30000112.2E180 E181 T182S178-E180 PolarHBondContact O-N 2.79Å; S178-E181 PolarHBondContact O-N 3.36Å; S178-E181 WeakPolarHBondContact OG-CB 3.21Å; S178-E181 VanDerWaalsContact OG-CG 3.29Å; S178-E181 WeakPolarHBondContact OG-CG 3.45Å; S178-E181 PolarHBondContact OG-N 3.5Å; S178-T182 WeakPolarHBondContact O-CG2 3.33Å; S178-T182 PolarHBondContact O-N 2.99Å; S178-T182 VanDerWaalsContact O-N 3.16Å; S178-T182 PolarHBondContact O-OG1 3.03Å; S178-T182 VanDerWaalsContact O-OG1 3.1Å
179P95.3Very high95.7Very high79 Ų79122 Ų12251%0.51363%0.625SS.*Hα-helixtrans-59.7-31.8175.4-25.935.6000113.5T182 L183P179-T182 WeakPolarHBondContact CA-OG1 3.32Å; P179-T182 PolarHBondContact O-OG1 3.15Å; P179-T182 VanDerWaalsContact O-OG1 3.04Å; P179-L183 WeakPolarHBondContact O-CB 3.37Å; P179-L183 VanDerWaalsContact O-CG 3.29Å; P179-L183 WeakPolarHBondContact O-CG 3.36Å; P179-L183 PolarHBondContact O-N 2.93Å
180E95.1Very high95.8Very high169 Ų169117 Ų11779%0.7961%0.608SS**Hα-helixtrans-68.4-48.4-179.6-63178.8-176.900111.3S178 T182 L183 E184S178-E180 PolarHBondContact O-N 2.79Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 3.24Å; E180-L183 PolarHBondContact O-N 3.31Å; E180-E184 PolarHBondContact O-N 2.81Å
181E95.1Very high95.9Very high127 Ų127119.6 Ų119.659%0.59363%0.63SS**Hα-helixtrans-63.4-36.8177.1-72.1169.9-158.100112S178 E184S178-E181 PolarHBondContact O-N 3.36Å; S178-E181 WeakPolarHBondContact OG-CB 3.21Å; S178-E181 VanDerWaalsContact OG-CG 3.29Å; S178-E181 WeakPolarHBondContact OG-CG 3.45Å; S178-E181 PolarHBondContact OG-N 3.5Å; E181-E184 WeakPolarHBondContact O-CB 3.45Å
182T94.9Very high95.9Very high84 Ų84115.5 Ų115.552%0.51561%0.612SS.*Hα-helixtrans-75.7-26.6-177.753.80000114.1T177 S178 P179 E180T177-T182 VanDerWaalsContact OG1-CG2 3.23Å; T177-T182 WeakPolarHBondContact OG1-CG2 3.3Å; S178-T182 WeakPolarHBondContact O-CG2 3.33Å; S178-T182 PolarHBondContact O-N 2.99Å; S178-T182 VanDerWaalsContact O-N 3.16Å; S178-T182 PolarHBondContact O-OG1 3.03Å; S178-T182 VanDerWaalsContact O-OG1 3.1Å; P179-T182 WeakPolarHBondContact CA-OG1 3.32Å; P179-T182 PolarHBondContact O-OG1 3.15Å; P179-T182 VanDerWaalsContact O-OG1 3.04Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 3.24Å
183L97.1Very high95.9Very high140 Ų140114.3 Ų114.373%0.73361%0.608SS**Hα-helixtrans-90.6-7.9177.9-69174000112.8P179 E180 K185P179-L183 WeakPolarHBondContact O-CB 3.37Å; P179-L183 VanDerWaalsContact O-CG 3.29Å; P179-L183 WeakPolarHBondContact O-CG 3.36Å; P179-L183 PolarHBondContact O-N 2.93Å; E180-L183 PolarHBondContact O-N 3.31Å; L183-K185 PolarHBondContact O-N 3.12Å
184E97.1Very high96Very high128 Ų128118.8 Ų118.860%0.59862%0.624SS**  trans-60.3120.6177-166.5-177.8172.800110.7E180 E181 T186E180-E184 PolarHBondContact O-N 2.81Å; E181-E184 WeakPolarHBondContact O-CB 3.45Å; E184-T186 HydrophobicContact CB-CG2 4.33Å; E184-T186 HydrophobicContact CG-CG2 3.9Å; E184-T186 PolarHBondContact O-N 3.26Å
185K97Very high95.9Very high205 Ų205117.7 Ų117.789%0.89161%0.607SS**  trans-81.985.8179.1-67.1-176.4-176.9177.30109.9L183L183-K185 PolarHBondContact O-N 3.12Å
186T95.2Very high95.8Very high105 Ų105112.6 Ų112.664%0.64459%0.586SS**  trans-90.4-18.5-179.954.40000113.7E184 T188E184-T186 HydrophobicContact CB-CG2 4.33Å; E184-T186 HydrophobicContact CG-CG2 3.9Å; E184-T186 PolarHBondContact O-N 3.26Å; T186-T188 PolarHBondContact O-N 2.96Å
187Y95.6Very high95.7Very high182 Ų182112 Ų11271%0.71458%0.581SS**  trans-74.3120.6-178.9177.7-110.5000112P189Y187-P189 HydrophobicContact CE1-CB 4.18Å
188T94.8Very high95.8Very high100 Ų100110.7 Ų110.761%0.61357%0.573SS**  trans-106.5121.3169.649.90000109.5T186 S190T186-T188 PolarHBondContact O-N 2.96Å; T188-S190 PolarHBondContact O-N 3.12Å
189P96.8Very high95.8Very high111 Ų111112.6 Ų112.672%0.72158%0.579SS**  trans-65.9127179.627.1-33.2000110.5Y187Y187-P189 HydrophobicContact CE1-CB 4.18Å
190S95.2Very high95.8Very high50 Ų50114.5 Ų114.535%0.3558%0.581SS.*  trans-133.2168178.382.90000110.4T188 K192 E197T188-S190 PolarHBondContact O-N 3.12Å; S190-K192 VanDerWaalsContact C-N 3.34Å; S190-K192 PolarHBondContact OG-N 2.9Å; S190-E197 WeakPolarHBondContact CB-OE1 3.04Å; S190-E197 PolarHBondContact OG-OE1 2.92Å
191L96.4Very high95.8Very high185 Ų185115.6 Ų115.697%0.96958%0.583SS**SBendtrans-91.51.6173-63.6177.6000112.8
192K95.9Very high95.9Very high96 Ų96115.3 Ų115.342%0.41759%0.585SS.*SBendtrans-87.7153.5179.9-61.9-171.5-172.8-169.10109.9S190 E196 E197 E200S190-K192 VanDerWaalsContact C-N 3.34Å; S190-K192 PolarHBondContact OG-N 2.9Å; K192-E196 HydrophobicContact CB-CB 4.37Å; K192-E197 HydrophobicContact CB-CG 3.62Å; K192-E197 HydrophobicContact CD-CG 4.13Å; K192-E197 HydrophobicContact CG-CG 4.47Å; K192-E200 IonicContact NZ-OE1 3.1Å; K192-E200 PolarHBondContact NZ-OE1 3.47Å; K192-E200 IonicContact NZ-OE2 2.69Å; K192-E200 PolarHBondContact NZ-OE2 3.27Å
193T96.1Very high95.9Very high66 Ų66114.2 Ų114.241%0.40559%0.59SS.*  trans-76.9161168.763.60000110.6E195 E196 E197T193-E195 WeakPolarHBondContact CB-OE2 3.3Å; T193-E195 PolarHBondContact O-N 3.26Å; T193-E195 PolarHBondContact OG1-OE2 3.03Å; T193-E196 PolarHBondContact N-OE2 3.36Å; T193-E196 PolarHBondContact O-N 3.25Å; T193-E196 VanDerWaalsContact OG1-CG 3.23Å; T193-E196 WeakPolarHBondContact OG1-CG 3.2Å; T193-E196 PolarHBondContact OG1-N 2.94Å; T193-E197 PolarHBondContact O-N 3.47Å
194L96.3Very high95.8Very high122 Ų122112 Ų11264%0.63958%0.578SS**Hα-helixtrans-58.8-39.9176.7-179.8152.1000110.7E197 V198L194-E197 PolarHBondContact O-N 3.16Å; L194-V198 HydrophobicContact CD2-CG2 3.87Å; L194-V198 HydrophobicContact CG-CG2 4.27Å; L194-V198 WeakPolarHBondContact O-CB 3Å; L194-V198 WeakPolarHBondContact O-CG2 3.43Å; L194-V198 PolarHBondContact O-N 3.1Å
195E95.1Very high95.7Very high122 Ų122114.4 Ų114.457%0.5759%0.589SS**Hα-helixtrans-62.4-44.7179.4-6280.2-176.100111.4T193 V198 M199T193-E195 WeakPolarHBondContact CB-OE2 3.3Å; T193-E195 PolarHBondContact O-N 3.26Å; T193-E195 PolarHBondContact OG1-OE2 3.03Å; E195-V198 PolarHBondContact O-N 3.44Å; E195-M199 WeakPolarHBondContact O-CB 3.28Å; E195-M199 VanDerWaalsContact O-CG 3.27Å; E195-M199 WeakPolarHBondContact O-CG 3.31Å; E195-M199 PolarHBondContact O-N 2.93Å
196E94.6Very high95.4Very high91 Ų91110.3 Ų110.343%0.42557%0.573SS.*Hα-helixtrans-62.4-48.2177.1-72.6168.2177.900111.5K192 T193 V198 M199 E200K192-E196 HydrophobicContact CB-CB 4.37Å; T193-E196 PolarHBondContact N-OE2 3.36Å; T193-E196 PolarHBondContact O-N 3.25Å; T193-E196 VanDerWaalsContact OG1-CG 3.23Å; T193-E196 WeakPolarHBondContact OG1-CG 3.2Å; T193-E196 PolarHBondContact OG1-N 2.94Å; E196-V198 PolarHBondContact O-N 2.9Å; E196-M199 PolarHBondContact O-N 2.9Å; E196-E200 WeakPolarHBondContact O-CG 3.44Å; E196-E200 PolarHBondContact O-N 3.34Å
197E95.8Very high95.3Very high65 Ų65111.2 Ų111.230%0.30458%0.581SS.*Hα-helixtrans-63.5-40178.8-69.1-171.815900112.8S190 K192 T193 L194 K201S190-E197 WeakPolarHBondContact CB-OE1 3.04Å; S190-E197 PolarHBondContact OG-OE1 2.92Å; K192-E197 HydrophobicContact CB-CG 3.62Å; K192-E197 HydrophobicContact CD-CG 4.13Å; K192-E197 HydrophobicContact CG-CG 4.47Å; T193-E197 PolarHBondContact O-N 3.47Å; L194-E197 PolarHBondContact O-N 3.16Å; E197-K201 WeakPolarHBondContact O-CB 3.39Å; E197-K201 PolarHBondContact O-N 3.07Å
198V96.1Very high95.2Very high64 Ų64112.4 Ų112.439%0.38858%0.584SS.*Hα-helixtrans-68.3-41.1177.8170.50000110.6L194 E195 E196 K201 L202L194-V198 HydrophobicContact CD2-CG2 3.87Å; L194-V198 HydrophobicContact CG-CG2 4.27Å; L194-V198 WeakPolarHBondContact O-CB 3Å; L194-V198 WeakPolarHBondContact O-CG2 3.43Å; L194-V198 PolarHBondContact O-N 3.1Å; E195-V198 PolarHBondContact O-N 3.44Å; E196-V198 PolarHBondContact O-N 2.9Å; V198-K201 PolarHBondContact O-N 2.87Å; V198-L202 HydrophobicContact CG1-CD1 3.7Å; V198-L202 HydrophobicContact CG1-CG 4.29Å; V198-L202 WeakPolarHBondContact O-CB 3.49Å; V198-L202 VanDerWaalsContact O-CG 3.28Å; V198-L202 WeakPolarHBondContact O-CG 3.42Å; V198-L202 PolarHBondContact O-N 3.37Å
199M95.9Very high95.1Very high74 Ų74118.9 Ų118.937%0.36560%0.597SS.*Hα-helixtrans-61.1-47.9174.7-76.9-170.6-61.700111.3E195 E196 K201 L202 G203 I204E195-M199 WeakPolarHBondContact O-CB 3.28Å; E195-M199 VanDerWaalsContact O-CG 3.27Å; E195-M199 WeakPolarHBondContact O-CG 3.31Å; E195-M199 PolarHBondContact O-N 2.93Å; E196-M199 PolarHBondContact O-N 2.9Å; M199-K201 PolarHBondContact O-N 3.46Å; M199-L202 PolarHBondContact O-N 3.49Å; M199-G203 PolarHBondContact O-N 3.23Å; M199-I204 HydrophobicContact CB-CB 4.31Å; M199-I204 HydrophobicContact CG-CB 4.36Å; M199-I204 HydrophobicContact CG-CG2 4.5Å; M199-I204 PolarHBondContact O-N 3.44Å
200E94.8Very high94.9Very high118 Ų118121.1 Ų121.155%0.55160%0.603SS**Hα-helixtrans-60.3-44.4176.2-73.4179.7177.100112K192 E196 L202 G203K192-E200 IonicContact NZ-OE1 3.1Å; K192-E200 PolarHBondContact NZ-OE1 3.47Å; K192-E200 IonicContact NZ-OE2 2.69Å; K192-E200 PolarHBondContact NZ-OE2 3.27Å; E196-E200 WeakPolarHBondContact O-CG 3.44Å; E196-E200 PolarHBondContact O-N 3.34Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 2.76Å; E200-G203 PolarHBondContact O-N 3.49Å; E200-G203 VanDerWaalsContact O-N 3.15Å
201K95.4Very high94.9Very high192 Ų192129.8 Ų129.884%0.83563%0.628SS**Hα-helixtrans-66.7-33.3-179.7-172.5174.5-177.3176.40112.9E197 V198 M199 G203E197-K201 WeakPolarHBondContact O-CB 3.39Å; E197-K201 PolarHBondContact O-N 3.07Å; V198-K201 PolarHBondContact O-N 2.87Å; M199-K201 PolarHBondContact O-N 3.46Å; K201-G203 VanDerWaalsContact C-N 3.33Å
202L96.9Very high94.8Very high122 Ų122131 Ų13164%0.63963%0.625SS**Hα-helixtrans-85.9-4.8175.9-66.5176.2000113V198 M199 E200 I204V198-L202 HydrophobicContact CG1-CD1 3.7Å; V198-L202 HydrophobicContact CG1-CG 4.29Å; V198-L202 WeakPolarHBondContact O-CB 3.49Å; V198-L202 VanDerWaalsContact O-CG 3.28Å; V198-L202 WeakPolarHBondContact O-CG 3.42Å; V198-L202 PolarHBondContact O-N 3.37Å; M199-L202 PolarHBondContact O-N 3.49Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 2.76Å; L202-I204 VanDerWaalsContact C-N 3.3Å; L202-I204 HydrophobicContact CB-CD1 3.8Å; L202-I204 HydrophobicContact CB-CG1 3.84Å; L202-I204 HydrophobicContact CD1-CD1 3.9Å; L202-I204 PolarHBondContact O-N 3.17Å
203G95.9Very high94.8Very high60 Ų60131.2 Ų131.262%0.61964%0.635SS**THydrogen-bonded Turntrans67.129.2-176.800000113.5M199 E200 K201M199-G203 PolarHBondContact O-N 3.23Å; E200-G203 PolarHBondContact O-N 3.49Å; E200-G203 VanDerWaalsContact O-N 3.15Å; K201-G203 VanDerWaalsContact C-N 3.33Å
204I95.7Very high94.7Very high93 Ų93138.3 Ų138.348%0.47766%0.656SS.*  trans-85.5118.9179.3-59.7170.8000108.6M199 L202M199-I204 HydrophobicContact CB-CB 4.31Å; M199-I204 HydrophobicContact CG-CB 4.36Å; M199-I204 HydrophobicContact CG-CG2 4.5Å; M199-I204 PolarHBondContact O-N 3.44Å; L202-I204 VanDerWaalsContact C-N 3.3Å; L202-I204 HydrophobicContact CB-CD1 3.8Å; L202-I204 HydrophobicContact CB-CG1 3.84Å; L202-I204 HydrophobicContact CD1-CD1 3.9Å; L202-I204 PolarHBondContact O-N 3.17Å
205E93.5Very high94.4Very high179 Ų179143.7 Ų143.784%0.83667%0.668SS**  trans-104.7123.2175.6-63-178.2177.300110.1P207E205-P207 WeakPolarHBondContact O-CD 3.39Å
206E91.3Very high94Very high120 Ų120151.6 Ų151.656%0.56170%0.695SS**  trans-109.597.3172.9-178.354-110.400109.9R208E206-R208 VanDerWaalsContact C-N 3.26Å; E206-R208 PolarHBondContact O-N 3.12Å; E206-R208 WeakPolarHBondContact OE1-CB 3.4Å; E206-R208 WeakPolarHBondContact OE1-CD 3.36Å; E206-R208 WeakPolarHBondContact OE1-CG 3.34Å; E206-R208 PolarHBondContact OE1-N 3.38Å
207P93.4Very high94Very high123 Ų123154.6 Ų154.680%0.79971%0.708SS**  trans-75.6-13.9-177.529.8-35.2000113E205E205-P207 WeakPolarHBondContact O-CD 3.39Å
208R94.1Very high93.9Very high207 Ų207159.3 Ų159.378%0.78173%0.729SS**PPolyproline II helixtrans-81.6143-179-56.3169.6178.3174.41.8110.4E206E206-R208 VanDerWaalsContact C-N 3.26Å; E206-R208 PolarHBondContact O-N 3.12Å; E206-R208 WeakPolarHBondContact OE1-CB 3.4Å; E206-R208 WeakPolarHBondContact OE1-CD 3.36Å; E206-R208 WeakPolarHBondContact OE1-CG 3.34Å; E206-R208 PolarHBondContact OE1-N 3.38Å
209R91.9Very high93.8Very high236 Ų236164.6 Ų164.689%0.89175%0.748SS**PPolyproline II helixtrans-99.4135.3173.2-168.8174.9-179.6177.12.9111R211R209-R211 PolarHBondContact O-N 2.98Å
210N92.8Very high93.6Very high159 Ų159169.9 Ų169.985%0.8577%0.771SS**PPolyproline II helixtrans-56.5129.8172.9-77.3-15.8000110.9
211R94.2Very high93.6Very high232 Ų232173.2 Ų173.288%0.87579%0.785SS**PPolyproline II helixtrans-71.8150.8174.4-66.2-175.3176.6-171.5-0.8109.6R209 T213R209-R211 PolarHBondContact O-N 2.98Å; R211-T213 PolarHBondContact O-N 3.35Å
212K95.5Very high93.4Very high209 Ų209171.9 Ų171.991%0.90978%0.781SS**PPolyproline II helixtrans-63.9130.8175-67.9-177.3178.9-179.10109.8
213T95.6Very high93.2Very high102 Ų102175.5 Ų175.563%0.62679%0.792SS**  trans-120.2147174.956.30000109.8R211 W215R211-T213 PolarHBondContact O-N 3.35Å; T213-W215 PolarHBondContact OG1-NE1 3.09Å
214Y93.6Very high93Very high215 Ų215184.4 Ų184.484%0.84381%0.805SS**  trans-91.6137.8173.9-59.9-86000109.4
215W90.8Very high92.8Very high234 Ų234192 Ų19289%0.88683%0.832SS**  trans-118.7117.5172.6-68.881.1000106.9T213T213-W215 PolarHBondContact OG1-NE1 3.09Å
216Y86.4Confident92.7Very high288 Ų288193.2 Ų193.2100%1.12983%0.832SS**  trans-131.80-179.157.5-97.8000110.4

Retrieved 216 of 216 residues in 341.8 ms (Link to these results)