Z4YNX7_RAT Loading...

Cystatin-related protein 2

AlphaFold DB , UniProt , Accession Z4YNX7, Species RAT (Rattus norvegicus, Rat), Gene P22k15, Length 176 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
1M48.9Very low65.1Low205 Ų205116.3 Ų116.3100%1.0165%0.646SS**  0-9.70-80.7166.968.900115.1T4M1-T4 PolarHBondContact O-OG1 2.91Å
2C53.1Low66.7Low112 Ų112116.5 Ų116.576%0.75764%0.644SS**Hα-helixtrans-75.6-23.8179-68.60000116.1C6C2-C6 PolarHBondContact O-N 3.06Å
3K52.4Low68Low202 Ų202111.5 Ų111.588%0.87863%0.627SS**Hα-helixtrans-71.1-31.4-177.9-73.2-173.7175.6-179.10113.2
4T56.4Low69.1Low102 Ų102108.7 Ų108.763%0.62661%0.609SS**Hα-helixtrans-76.7-35.7179.310.70000112.8M1 T8M1-T4 PolarHBondContact O-OG1 2.91Å; T4-T8 PolarHBondContact O-N 2.66Å; T4-T8 PolarHBondContact O-OG1 3.13Å
5L57.2Low70.2Confident107 Ų107110.9 Ų110.956%0.5661%0.61SS**Hα-helixtrans-69-35.5178.6-110.6124.2000113.1T8 L9L5-T8 WeakPolarHBondContact CA-OG1 3.39Å; L5-T8 PolarHBondContact O-OG1 2.84Å; L5-L9 WeakPolarHBondContact O-CB 3.38Å; L5-L9 WeakPolarHBondContact O-CD1 3.38Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.42Å; L5-L9 VanDerWaalsContact O-N 3.11Å
6C60.5Low71Confident87 Ų87108.3 Ų108.359%0.58860%0.598SS**Hα-helixtrans-70.4-38.8177.8-166.20000111.5C2 L9 L10C2-C6 PolarHBondContact O-N 3.06Å; C6-L9 PolarHBondContact O-N 3.48Å; C6-L10 WeakPolarHBondContact O-CB 3.15Å; C6-L10 PolarHBondContact O-N 3.11Å
7G71.4Confident71.7Confident36 Ų36108.9 Ų108.937%0.37160%0.599SS.*Hα-helixtrans-66.1-39.7175.800000113.4L11G7-L11 PolarHBondContact O-N 2.74Å
8T75.1Confident72Confident84 Ų84110.1 Ų110.152%0.51560%0.598SS.*Hα-helixtrans-69.7-39.1176.247.40000112.6T4 L5 L11 L12T4-T8 PolarHBondContact O-N 2.66Å; T4-T8 PolarHBondContact O-OG1 3.13Å; L5-T8 WeakPolarHBondContact CA-OG1 3.39Å; L5-T8 PolarHBondContact O-OG1 2.84Å; T8-L11 PolarHBondContact O-N 3.38Å; T8-L12 WeakPolarHBondContact O-CB 3.41Å; T8-L12 PolarHBondContact O-N 2.85Å
9L78.4Confident72.1Confident111 Ų111109.6 Ų109.658%0.58159%0.594SS**Hα-helixtrans-64-40.3174.3-80.1163.8000112.4L5 C6 L12 A13L5-L9 WeakPolarHBondContact O-CB 3.38Å; L5-L9 WeakPolarHBondContact O-CD1 3.38Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.42Å; L5-L9 VanDerWaalsContact O-N 3.11Å; C6-L9 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.25Å; L9-A13 WeakPolarHBondContact O-CB 3.29Å; L9-A13 PolarHBondContact O-N 3.41Å
10L80.4Confident72.2Confident113 Ų113109.2 Ų109.259%0.59259%0.591SS**Hα-helixtrans-63.8-45.7176.4-16881.2000111.4C6 L12 A13 I14C6-L10 WeakPolarHBondContact O-CB 3.15Å; C6-L10 PolarHBondContact O-N 3.11Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.42Å; L10-A13 PolarHBondContact O-N 3.23Å; L10-I14 HydrophobicContact CD2-CD1 4.45Å; L10-I14 HydrophobicContact CG-CD1 4.13Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 2.91Å
11L82Confident72.2Confident120 Ų120110.7 Ų110.763%0.62859%0.593SS**Hα-helixtrans-60.3-41.4175.5-84.2160.7000111.8G7 T8 I14 F15G7-L11 PolarHBondContact O-N 2.74Å; T8-L11 PolarHBondContact O-N 3.38Å; L11-I14 PolarHBondContact O-N 3.48Å; L11-F15 WeakPolarHBondContact O-CB 3.48Å; L11-F15 PolarHBondContact O-N 2.97Å
12L84.3Confident73Confident119 Ų119105.7 Ų105.762%0.62357%0.57SS**Hα-helixtrans-64.4-43.6178-146.6108.7000111.4T8 L9 L10 F15 V16T8-L12 WeakPolarHBondContact O-CB 3.41Å; T8-L12 PolarHBondContact O-N 2.85Å; L9-L12 PolarHBondContact O-N 3.25Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.42Å; L12-F15 PolarHBondContact O-N 3.42Å; L12-V16 WeakPolarHBondContact O-CB 3.17Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.43Å; L12-V16 PolarHBondContact O-N 3.44Å
13A84.3Confident73.7Confident51 Ų51106.4 Ų106.442%0.42156%0.562SS.*Hα-helixtrans-63-42.417700000112.1L9 L10 V16 L17L9-A13 WeakPolarHBondContact O-CB 3.29Å; L9-A13 PolarHBondContact O-N 3.41Å; L10-A13 PolarHBondContact O-N 3.23Å; A13-V16 PolarHBondContact O-N 2.99Å; A13-L17 WeakPolarHBondContact O-CB 3.39Å; A13-L17 WeakPolarHBondContact O-CG 2.98Å; A13-L17 PolarHBondContact O-N 2.66Å
14I83.5Confident74.5Confident73 Ų7399.6 Ų99.637%0.37454%0.544SS..Hα-helixtrans-61.6-45.1174.5-69.9166.9000110.4L10 L11 V16 L17 F18L10-I14 HydrophobicContact CD2-CD1 4.45Å; L10-I14 HydrophobicContact CG-CD1 4.13Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 2.91Å; L11-I14 PolarHBondContact O-N 3.48Å; I14-V16 PolarHBondContact O-N 2.67Å; I14-L17 WeakPolarHBondContact O-CB 3.36Å; I14-L17 PolarHBondContact O-N 3.26Å; I14-F18 HydrophobicContact CG2-CD2 3.57Å; I14-F18 HydrophobicContact CG2-CE2 3.4Å; I14-F18 VanDerWaalsContact CG2-CE2 3.4Å; I14-F18 WeakPolarHBondContact O-CD2 3.35Å; I14-F18 PolarHBondContact O-N 3.37Å
15F84.3Confident74.9Confident141 Ų14197.8 Ų97.862%0.61853%0.532SS*.Hα-helixtrans-63.9-41.9179.6-153.3-93.1000112.1L11 L12 F18 L19L11-F15 WeakPolarHBondContact O-CB 3.48Å; L11-F15 PolarHBondContact O-N 2.97Å; L12-F15 PolarHBondContact O-N 3.42Å; F15-F18 PolarHBondContact O-N 3.45Å; F15-L19 HydrophobicContact CD1-CD1 3.63Å; F15-L19 HydrophobicContact CD1-CG 4.14Å; F15-L19 HydrophobicContact CE1-CD1 3.81Å; F15-L19 HydrophobicContact CE1-CG 4.2Å; F15-L19 WeakPolarHBondContact O-CB 2.98Å; F15-L19 WeakPolarHBondContact O-CG 3.21Å; F15-L19 PolarHBondContact O-N 2.83Å
16V84.1Confident75.3Confident69 Ų6995 Ų9542%0.41852%0.524SS..Hα-helixtrans-64.5-39174.8170.80000111.4L12 A13 I14 L19 N20L12-V16 WeakPolarHBondContact O-CB 3.17Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.43Å; L12-V16 PolarHBondContact O-N 3.44Å; A13-V16 PolarHBondContact O-N 2.99Å; I14-V16 PolarHBondContact O-N 2.67Å; V16-L19 PolarHBondContact O-N 3.5Å; V16-N20 VanDerWaalsContact CG1-ND2 3.34Å; V16-N20 WeakPolarHBondContact CG1-ND2 3.47Å; V16-N20 WeakPolarHBondContact O-CB 3.38Å; V16-N20 PolarHBondContact O-N 3.16Å; V16-N20 PolarHBondContact O-ND2 2.63Å
17L82.4Confident75.5Confident120 Ų12098 Ų9863%0.62853%0.528SS*.Hα-helixtrans-63.6-45174.1-83.3160.7000111.7A13 I14 L19 N20 F21A13-L17 WeakPolarHBondContact O-CB 3.39Å; A13-L17 WeakPolarHBondContact O-CG 2.98Å; A13-L17 PolarHBondContact O-N 2.66Å; I14-L17 WeakPolarHBondContact O-CB 3.36Å; I14-L17 PolarHBondContact O-N 3.26Å; L17-L19 PolarHBondContact O-N 2.8Å; L17-N20 PolarHBondContact O-N 3.06Å; L17-F21 VanDerWaalsContact O-CB 3.3Å; L17-F21 WeakPolarHBondContact O-CB 3.32Å; L17-F21 PolarHBondContact O-N 2.83Å
18F76.4Confident75.1Confident130 Ų130100.7 Ų100.757%0.5754%0.541SS*.Hα-helixtrans-63.2-40.3175.3-81.8-64.6000112.4I14 F15 F21 N22I14-F18 HydrophobicContact CG2-CD2 3.57Å; I14-F18 HydrophobicContact CG2-CE2 3.4Å; I14-F18 VanDerWaalsContact CG2-CE2 3.4Å; I14-F18 WeakPolarHBondContact O-CD2 3.35Å; I14-F18 PolarHBondContact O-N 3.37Å; F15-F18 PolarHBondContact O-N 3.45Å; F18-F21 PolarHBondContact O-N 3.22Å; F18-N22 WeakPolarHBondContact O-CB 3.49Å; F18-N22 PolarHBondContact O-N 2.8Å; F18-N22 PolarHBondContact O-ND2 3.38Å
19L75.6Confident74.4Confident100 Ų100100.4 Ų100.452%0.52454%0.539SS..Hα-helixtrans-63.9-45.6175.9-77.3168.8000112F15 V16 L17 N22 H23F15-L19 HydrophobicContact CD1-CD1 3.63Å; F15-L19 HydrophobicContact CD1-CG 4.14Å; F15-L19 HydrophobicContact CE1-CD1 3.81Å; F15-L19 HydrophobicContact CE1-CG 4.2Å; F15-L19 WeakPolarHBondContact O-CB 2.98Å; F15-L19 WeakPolarHBondContact O-CG 3.21Å; F15-L19 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.5Å; L17-L19 PolarHBondContact O-N 2.8Å; L19-N22 PolarHBondContact O-N 2.79Å; L19-H23 WeakPolarHBondContact O-CB 3.13Å; L19-H23 PolarHBondContact O-N 2.78Å
20N73.8Confident73.5Confident101 Ų101100.9 Ų100.954%0.5454%0.54SS..Hα-helixtrans-66.3-38.8177.8-79.3-59.1000112.2V16 L17 H23 A24V16-N20 VanDerWaalsContact CG1-ND2 3.34Å; V16-N20 WeakPolarHBondContact CG1-ND2 3.47Å; V16-N20 WeakPolarHBondContact O-CB 3.38Å; V16-N20 PolarHBondContact O-N 3.16Å; V16-N20 PolarHBondContact O-ND2 2.63Å; L17-N20 PolarHBondContact O-N 3.06Å; N20-H23 PolarHBondContact O-N 2.67Å; N20-A24 WeakPolarHBondContact O-CB 2.9Å; N20-A24 PolarHBondContact O-N 3.41Å
21F71.3Confident72.6Confident142 Ų14297 Ų9762%0.62353%0.526SS*.Hα-helixtrans-62.9-50.5174.8-171.8-96.9000110.9L17 F18 H23 A24 T25L17-F21 VanDerWaalsContact O-CB 3.3Å; L17-F21 WeakPolarHBondContact O-CB 3.32Å; L17-F21 PolarHBondContact O-N 2.83Å; F18-F21 PolarHBondContact O-N 3.22Å; F21-H23 VanDerWaalsContact C-N 3.31Å; F21-H23 PolarHBondContact O-N 2.94Å; F21-A24 PolarHBondContact O-N 3.26Å; F21-A24 VanDerWaalsContact O-N 3.16Å; F21-T25 PolarHBondContact O-N 2.89Å; F21-T25 PolarHBondContact O-OG1 2.93Å
22N65.6Low71.6Confident99 Ų9992.2 Ų92.253%0.52951%0.506SS..Hα-helixtrans-57.5-42.6176.2-79.5-49.6000112.3F18 L19 T25 A26F18-N22 WeakPolarHBondContact O-CB 3.49Å; F18-N22 PolarHBondContact O-N 2.8Å; F18-N22 PolarHBondContact O-ND2 3.38Å; L19-N22 PolarHBondContact O-N 2.79Å; N22-T25 PolarHBondContact O-N 3.24Å; N22-A26 VanDerWaalsContact O-CB 3.24Å; N22-A26 WeakPolarHBondContact O-CB 3.25Å; N22-A26 PolarHBondContact O-N 3.23Å
23H69.1Low70.6Confident127 Ų12788.3 Ų88.359%0.58849%0.486SS*.Hα-helixtrans-64.9-44.2177.1-171-26000111.6L19 N20 F21 A26 K27L19-H23 WeakPolarHBondContact O-CB 3.13Å; L19-H23 PolarHBondContact O-N 2.78Å; N20-H23 PolarHBondContact O-N 2.67Å; F21-H23 VanDerWaalsContact C-N 3.31Å; F21-H23 PolarHBondContact O-N 2.94Å; H23-A26 PolarHBondContact O-N 3.31Å; H23-K27 VanDerWaalsContact O-CB 3.31Å; H23-K27 WeakPolarHBondContact O-CB 3.34Å; H23-K27 PolarHBondContact O-N 2.05Å
24A67.4Low69.5Low60 Ų6092.5 Ų92.550%0.49650%0.497SS..Hα-helixtrans-62.9-43.8178.200000111.5N20 F21 K27 S28N20-A24 WeakPolarHBondContact O-CB 2.9Å; N20-A24 PolarHBondContact O-N 3.41Å; F21-A24 PolarHBondContact O-N 3.26Å; F21-A24 VanDerWaalsContact O-N 3.16Å; A24-K27 PolarHBondContact O-N 3.12Å; A24-S28 WeakPolarHBondContact O-CB 3.47Å; A24-S28 PolarHBondContact O-N 3.15Å
25T66.1Low68.5Low63 Ų6394 Ų9439%0.38750%0.504SS..Hα-helixtrans-64.1-44.2176.2-49.40000111.7F21 N22 S28 T29F21-T25 PolarHBondContact O-N 2.89Å; F21-T25 PolarHBondContact O-OG1 2.93Å; N22-T25 PolarHBondContact O-N 3.24Å; T25-S28 PolarHBondContact O-N 3.29Å; T25-T29 WeakPolarHBondContact O-CB 3.39Å; T25-T29 PolarHBondContact O-N 3.09Å; T25-T29 PolarHBondContact O-OG1 3.5Å
26A64.8Low67.5Low48 Ų4887.5 Ų87.540%0.39748%0.475SS..Hα-helixtrans-62.1-44.1176.500000111.8N22 H23 T29 M30N22-A26 VanDerWaalsContact O-CB 3.24Å; N22-A26 WeakPolarHBondContact O-CB 3.25Å; N22-A26 PolarHBondContact O-N 3.23Å; H23-A26 PolarHBondContact O-N 3.31Å; A26-T29 PolarHBondContact O-N 3.47Å; A26-M30 WeakPolarHBondContact O-CB 3.48Å; A26-M30 WeakPolarHBondContact O-CG 3.32Å; A26-M30 PolarHBondContact O-N 2.89Å
27K65.3Low66.5Low151 Ų15185.9 Ų85.966%0.65747%0.468SS*.Hα-helixtrans-64.7-41.3178.2-171.3178.3-178.1179.70112.2H23 A24 G31H23-K27 VanDerWaalsContact O-CB 3.31Å; H23-K27 WeakPolarHBondContact O-CB 3.34Å; H23-K27 PolarHBondContact O-N 2.05Å; A24-K27 PolarHBondContact O-N 3.12Å; K27-G31 PolarHBondContact O-N 3.46Å
28S62.5Low65.6Low92 Ų9290.1 Ų90.164%0.64348%0.476SS*.Hα-helixtrans-63.5-43.3175.31770000111.6A24 T25 G32A24-S28 WeakPolarHBondContact O-CB 3.47Å; A24-S28 PolarHBondContact O-N 3.15Å; T25-S28 PolarHBondContact O-N 3.29Å; S28-G32 PolarHBondContact O-N 2.99Å
29T59.9Low64.6Low79 Ų7987.1 Ų87.149%0.48547%0.466SS..Hα-helixtrans-66.9-46.9179.2-50.90000111.6T25 A26 G32 I33T25-T29 WeakPolarHBondContact O-CB 3.39Å; T25-T29 PolarHBondContact O-N 3.09Å; T25-T29 PolarHBondContact O-OG1 3.5Å; A26-T29 PolarHBondContact O-N 3.47Å; T29-G32 PolarHBondContact O-N 3.43Å; T29-I33 HydrophobicContact CG2-CD1 4.26Å; T29-I33 WeakPolarHBondContact O-CG1 3.07Å; T29-I33 PolarHBondContact O-N 3.3Å; T29-I33 VanDerWaalsContact O-N 3.07Å
30M61.3Low64Low121 Ų12183 Ų8360%0.59644%0.444SS*.Hα-helixtrans-64.8-41.3177.3-72.9-178.48200112.3A26 G32 I33 E34A26-M30 WeakPolarHBondContact O-CB 3.48Å; A26-M30 WeakPolarHBondContact O-CG 3.32Å; A26-M30 PolarHBondContact O-N 2.89Å; M30-G32 VanDerWaalsContact C-N 3.3Å; M30-G32 PolarHBondContact O-N 2.91Å; M30-I33 WeakPolarHBondContact O-CB 2.96Å; M30-I33 PolarHBondContact O-N 3.05Å; M30-I33 VanDerWaalsContact O-N 3.16Å; M30-E34 PolarHBondContact O-N 3.33Å
31G60.5Low63.1Low30 Ų3085 Ų8531%0.30945%0.452SS..Hα-helixtrans-62.4-36.8175.400000112.8K27 M35K27-G31 PolarHBondContact O-N 3.46Å; G31-M35 WeakPolarHBondContact O-CB 3.47Å; G31-M35 PolarHBondContact O-N 3.47Å; G31-M35 VanDerWaalsContact O-N 3.09Å
32G60.3Low62.5Low20 Ų2084.8 Ų84.821%0.20645%0.453CS..Hα-helixtrans-64.1-40.5172.100000113.1S28 T29 M30 F36S28-G32 PolarHBondContact O-N 2.99Å; T29-G32 PolarHBondContact O-N 3.43Å; M30-G32 VanDerWaalsContact C-N 3.3Å; M30-G32 PolarHBondContact O-N 2.91Å; G32-F36 VanDerWaalsContact O-CB 3.3Å; G32-F36 WeakPolarHBondContact O-CB 3.4Å; G32-F36 PolarHBondContact O-N 3.07Å
33I63.7Low62Low38 Ų3888.6 Ų88.620%0.19547%0.465CS..Hα-helixtrans-63.3-48.3176.7-68.4159.9000111.2T29 M30 F36 A37 T78 Y161T29-I33 HydrophobicContact CG2-CD1 4.26Å; T29-I33 WeakPolarHBondContact O-CG1 3.07Å; T29-I33 PolarHBondContact O-N 3.3Å; T29-I33 VanDerWaalsContact O-N 3.07Å; M30-I33 WeakPolarHBondContact O-CB 2.96Å; M30-I33 PolarHBondContact O-N 3.05Å; M30-I33 VanDerWaalsContact O-N 3.16Å; I33-F36 PolarHBondContact O-N 2.99Å; I33-A37 PolarHBondContact O-N 2.89Å; I33-T78 HydrophobicContact CD1-CG2 3.99Å; I33-T78 HydrophobicContact CG2-CG2 4.49Å; I33-Y161 HydrophobicContact CB-CE1 4.37Å; I33-Y161 HydrophobicContact CG1-CD1 4.33Å; I33-Y161 HydrophobicContact CG1-CE1 3.73Å
34E62.6Low61.8Low139 Ų13988.1 Ų88.165%0.6547%0.466SS*.Hα-helixtrans-63-43.5179.8-73.4-179.8175.700112.1M30 A37 R38M30-E34 PolarHBondContact O-N 3.33Å; E34-A37 PolarHBondContact O-N 3.07Å; E34-R38 PolarHBondContact O-N 2.01Å; E34-R38 VanDerWaalsContact O-N 3.15Å
35M60.7Low62.1Low105 Ų10587.6 Ų87.652%0.51745%0.453SS..Hα-helixtrans-65.5-40.9178.2-165.7-178.9-55.600111.6G31 R38 N39 Q164G31-M35 WeakPolarHBondContact O-CB 3.47Å; G31-M35 PolarHBondContact O-N 3.47Å; G31-M35 VanDerWaalsContact O-N 3.09Å; M35-R38 PolarHBondContact O-N 3.26Å; M35-N39 WeakPolarHBondContact O-CB 2.85Å; M35-N39 PolarHBondContact O-N 3.35Å; M35-Q164 PolarHBondContact SD-NE2 2.97Å
36F64.4Low62.8Low4 Ų486 Ų862%0.01844%0.442CS..Hα-helixtrans-62.1-48.4174.6-174-84.1000111.5G32 I33 R38 N39 F40 M76 P159 Y161 N165G32-F36 VanDerWaalsContact O-CB 3.3Å; G32-F36 WeakPolarHBondContact O-CB 3.4Å; G32-F36 PolarHBondContact O-N 3.07Å; I33-F36 PolarHBondContact O-N 2.99Å; F36-R38 PolarHBondContact O-N 2.87Å; F36-N39 PolarHBondContact O-N 2.85Å; F36-F40 HydrophobicContact CD1-CB 4.05Å; F36-F40 HydrophobicContact CD1-CG 4.46Å; F36-F40 HydrophobicContact CE1-CB 3.72Å; F36-F40 AromaticContact CE1-CD2 3.47Å; F36-F40 HydrophobicContact CE1-CD2 3.47Å; F36-F40 VanDerWaalsContact CE1-CD2 3.47Å; F36-F40 HydrophobicContact CE1-CE2 4.3Å; F36-F40 AromaticContact CE1-CG 3.68Å; F36-F40 HydrophobicContact CE1-CG 3.68Å; F36-F40 HydrophobicContact CZ-CB 4.27Å; F36-F40 AromaticContact CZ-CD2 3.45Å; F36-F40 HydrophobicContact CZ-CD2 3.45Å; F36-F40 VanDerWaalsContact CZ-CD2 3.45Å; F36-F40 HydrophobicContact CZ-CE2 4.15Å; F36-F40 HydrophobicContact CZ-CG 4.12Å; F36-F40 WeakPolarHBondContact O-CB 3.48Å; F36-F40 PolarHBondContact O-N 2.97Å; F36-M76 HydrophobicContact CD1-CE 3.49Å; F36-M76 VanDerWaalsContact CD1-CE 3.49Å; F36-M76 HydrophobicContact CE1-CE 3.45Å; F36-M76 VanDerWaalsContact CE1-CE 3.45Å; F36-P159 HydrophobicContact CD1-CB 3.95Å; F36-P159 HydrophobicContact CD2-CB 3.87Å; F36-P159 HydrophobicContact CE1-CB 3.52Å; F36-P159 HydrophobicContact CE1-CG 4.4Å; F36-P159 HydrophobicContact CE2-CB 3.41Å; F36-P159 VanDerWaalsContact CE2-CB 3.41Å; F36-P159 HydrophobicContact CG-CB 4.14Å; F36-P159 HydrophobicContact CZ-CB 3.25Å; F36-Y161 HydrophobicContact CB-CD1 3.83Å; F36-Y161 HydrophobicContact CB-CE1 4.24Å; F36-Y161 HydrophobicContact CD2-CD1 4.34Å; F36-Y161 HydrophobicContact CG-CD1 4.1Å; F36-Y161 HydrophobicContact CG-CE1 4.35Å; F36-N165 VanDerWaalsContact CE2-O 3.32Å; F36-N165 WeakPolarHBondContact CE2-O 3.48Å
37A63.2Low63.8Low34 Ų3487.6 Ų87.628%0.28144%0.444SS..Hα-helixtrans-56.4-37.2178.800000112I33 E34 M41I33-A37 PolarHBondContact O-N 2.89Å; E34-A37 PolarHBondContact O-N 3.07Å; A37-M41 WeakPolarHBondContact O-CG 3.4Å
38R62.7Low64.6Low209 Ų20983 Ų8379%0.78943%0.427SS*.Hα-helixtrans-73.7-40.2177.5-165.5175.8178.9-174.3-1.3113.4E34 M35 F36E34-R38 PolarHBondContact O-N 2.01Å; E34-R38 VanDerWaalsContact O-N 3.15Å; M35-R38 PolarHBondContact O-N 3.26Å; F36-R38 PolarHBondContact O-N 2.87Å
39N56.6Low65.6Low67 Ų6778.7 Ų78.736%0.35840%0.396SS..Hα-helixtrans-83.1-26.5-177.8-67.6-10.8000113M35 F36 M41 E42 Q164M35-N39 WeakPolarHBondContact O-CB 2.85Å; M35-N39 PolarHBondContact O-N 3.35Å; F36-N39 PolarHBondContact O-N 2.85Å; N39-M41 PolarHBondContact O-N 2.53Å; N39-E42 PolarHBondContact O-N 2.94Å; N39-Q164 PolarHBondContact ND2-OE1 2.92Å
40F61.5Low67.1Low14 Ų1475.3 Ų75.36%0.06137%0.374CS..THydrogen-bonded Turntrans-62.8-23.1173.1-169-102.3000113F36 E42 K45 F74 M76 L157 I166F36-F40 HydrophobicContact CD1-CB 4.05Å; F36-F40 HydrophobicContact CD1-CG 4.46Å; F36-F40 HydrophobicContact CE1-CB 3.72Å; F36-F40 AromaticContact CE1-CD2 3.47Å; F36-F40 HydrophobicContact CE1-CD2 3.47Å; F36-F40 VanDerWaalsContact CE1-CD2 3.47Å; F36-F40 HydrophobicContact CE1-CE2 4.3Å; F36-F40 AromaticContact CE1-CG 3.68Å; F36-F40 HydrophobicContact CE1-CG 3.68Å; F36-F40 HydrophobicContact CZ-CB 4.27Å; F36-F40 AromaticContact CZ-CD2 3.45Å; F36-F40 HydrophobicContact CZ-CD2 3.45Å; F36-F40 VanDerWaalsContact CZ-CD2 3.45Å; F36-F40 HydrophobicContact CZ-CE2 4.15Å; F36-F40 HydrophobicContact CZ-CG 4.12Å; F36-F40 WeakPolarHBondContact O-CB 3.48Å; F36-F40 PolarHBondContact O-N 2.97Å; F40-E42 PolarHBondContact O-N 2.96Å; F40-E42 VanDerWaalsContact O-N 3.09Å; F40-K45 HydrophobicContact CE2-CB 4.33Å; F40-F74 HydrophobicContact CD1-CE1 4.42Å; F40-F74 HydrophobicContact CD1-CZ 4.4Å; F40-F74 AromaticContact CE1-CE1 3.88Å; F40-F74 HydrophobicContact CE1-CE1 3.88Å; F40-F74 AromaticContact CE1-CZ 3.66Å; F40-F74 HydrophobicContact CE1-CZ 3.66Å; F40-F74 HydrophobicContact CZ-CZ 4.47Å; F40-M76 HydrophobicContact CD1-CE 4.47Å; F40-M76 HydrophobicContact CD1-SD 4.34Å; F40-L157 HydrophobicContact CE1-CD1 4.01Å; F40-L157 HydrophobicContact CE2-CD1 4.26Å; F40-L157 HydrophobicContact CZ-CD1 3.44Å; F40-L157 VanDerWaalsContact CZ-CD1 3.44Å; F40-I166 HydrophobicContact CD2-CG1 4.39Å; F40-I166 HydrophobicContact CE2-CD1 3.6Å; F40-I166 HydrophobicContact CE2-CG1 3.44Å; F40-I166 VanDerWaalsContact CE2-CG1 3.44Å; F40-I166 HydrophobicContact CZ-CD1 3.89Å; F40-I166 HydrophobicContact CZ-CG1 4.18Å
41M55Low68.4Low144 Ų14471.2 Ų71.271%0.70936%0.355SS*.THydrogen-bonded Turntrans-68.60.4178.6-72.6-69.1-7000114.5A37 N39 K43A37-M41 WeakPolarHBondContact O-CG 3.4Å; N39-M41 PolarHBondContact O-N 2.53Å; M41-K43 VanDerWaalsContact C-N 3.3Å; M41-K43 PolarHBondContact O-N 3Å
42E58.5Low69.6Low136 Ų13669.9 Ų69.964%0.63634%0.341SS*.SBendtrans-62.597.5158.7-76-169.5167.800108.8N39 F40 N44 K45N39-E42 PolarHBondContact O-N 2.94Å; F40-E42 PolarHBondContact O-N 2.96Å; F40-E42 VanDerWaalsContact O-N 3.09Å; E42-N44 PolarHBondContact O-N 2.99Å; E42-K45 PolarHBondContact O-N 3.25Å
43K55.1Low71Confident180 Ų18069 Ų6978%0.78333%0.332SS*.THydrogen-bonded Turntrans-41.9-19.7-175.3-79.9179.8173177.30116M41M41-K43 VanDerWaalsContact C-N 3.3Å; M41-K43 PolarHBondContact O-N 3Å
44N64.9Low72.4Confident116 Ų11669.1 Ų69.162%0.6233%0.33SS*.Hα-helixtrans-72.6-33-175.5-63.2-20.8000113.2E42 L46 N47 D48E42-N44 PolarHBondContact O-N 2.99Å; N44-L46 PolarHBondContact O-N 2.82Å; N44-N47 PolarHBondContact O-N 3.21Å; N44-D48 PolarHBondContact O-N 3.28Å
45K74.8Confident73.6Confident49 Ų4963.3 Ų63.321%0.21330%0.303CS..Hα-helixtrans-71.4-31.3-175-66.7-164.8-178.6-168.90113.9F40 E42 D48 V49 Q164 N165F40-K45 HydrophobicContact CE2-CB 4.33Å; E42-K45 PolarHBondContact O-N 3.25Å; K45-D48 WeakPolarHBondContact O-CB 3.26Å; K45-D48 PolarHBondContact O-N 3.47Å; K45-V49 PolarHBondContact O-N 3.06Å; K45-Q164 PolarHBondContact NZ-O 2.8Å; K45-N165 PolarHBondContact NZ-OD1 3.34Å
46L81.4Confident74.9Confident30 Ų3058.5 Ų58.516%0.15728%0.279CS..Hα-helixtrans-72.6-31.7177-169.964.8000111.7N44 D48 V49 Y50 F74 F155 L157N44-L46 PolarHBondContact O-N 2.82Å; L46-D48 VanDerWaalsContact C-N 3.31Å; L46-D48 PolarHBondContact O-N 2.88Å; L46-V49 WeakPolarHBondContact O-CB 3.45Å; L46-V49 PolarHBondContact O-N 3.46Å; L46-Y50 HydrophobicContact CD1-CE2 4.39Å; L46-Y50 HydrophobicContact CD2-CE2 3.9Å; L46-Y50 WeakPolarHBondContact CD2-OH 3.39Å; L46-Y50 HydrophobicContact CG-CD2 4.35Å; L46-Y50 HydrophobicContact CG-CE2 3.57Å; L46-Y50 WeakPolarHBondContact O-CD2 3.48Å; L46-Y50 PolarHBondContact O-N 3.49Å; L46-Y50 VanDerWaalsContact O-N 3.14Å; L46-F74 HydrophobicContact CD1-CD1 4.49Å; L46-F74 HydrophobicContact CD1-CD2 3.95Å; L46-F74 HydrophobicContact CD1-CE2 4.14Å; L46-F74 HydrophobicContact CD1-CG 4.14Å; L46-F74 HydrophobicContact CD1-CZ 4.47Å; L46-F74 HydrophobicContact CD2-CB 3.99Å; L46-F74 HydrophobicContact CD2-CD1 3.88Å; L46-F74 HydrophobicContact CD2-CG 3.86Å; L46-F155 HydrophobicContact CD1-CE2 4.23Å; L46-F155 HydrophobicContact CD1-CZ 4.21Å; L46-L157 HydrophobicContact CD1-CD1 4.46Å
47N84.6Confident76.1Confident81 Ų8159 Ų5943%0.43328%0.281SS..Hα-helixtrans-63.5-38.7173.2-70.4-26.9000111.7N44 V49 Y50 D51N44-N47 PolarHBondContact O-N 3.21Å; N47-V49 VanDerWaalsContact C-N 3.28Å; N47-V49 PolarHBondContact O-N 2.88Å; N47-Y50 PolarHBondContact O-N 2.92Å; N47-Y50 VanDerWaalsContact O-N 3.14Å; N47-D51 PolarHBondContact O-N 3.07Å
48D82.1Confident77.4Confident56 Ų5657.5 Ų57.530%0.29927%0.268SS..Hα-helixtrans-58.9-41.2173.7-68.9-33.5000111.2N44 K45 L46 Y50 D51 V52N44-D48 PolarHBondContact O-N 3.28Å; K45-D48 WeakPolarHBondContact O-CB 3.26Å; K45-D48 PolarHBondContact O-N 3.47Å; L46-D48 VanDerWaalsContact C-N 3.31Å; L46-D48 PolarHBondContact O-N 2.88Å; D48-Y50 VanDerWaalsContact C-N 3.34Å; D48-Y50 PolarHBondContact O-N 2.92Å; D48-D51 PolarHBondContact O-N 2.85Å; D48-V52 WeakPolarHBondContact O-CB 3.11Å; D48-V52 WeakPolarHBondContact O-CG2 2.96Å; D48-V52 PolarHBondContact O-N 3.12Å
49V85Confident78.6Confident0 Ų051.4 Ų51.40%025%0.247CC..Hα-helixtrans-60.1-43.7175.2177.90000111.5K45 L46 N47 D51 V52 F53 F155 L157 I166 V169 F171K45-V49 PolarHBondContact O-N 3.06Å; L46-V49 WeakPolarHBondContact O-CB 3.45Å; L46-V49 PolarHBondContact O-N 3.46Å; N47-V49 VanDerWaalsContact C-N 3.28Å; N47-V49 PolarHBondContact O-N 2.88Å; V49-D51 VanDerWaalsContact C-N 3.35Å; V49-V52 WeakPolarHBondContact O-CB 3.32Å; V49-V52 PolarHBondContact O-N 3.4Å; V49-F53 WeakPolarHBondContact O-CB 3.36Å; V49-F53 PolarHBondContact O-N 2.91Å; V49-F155 HydrophobicContact CG1-CD2 4.29Å; V49-F155 HydrophobicContact CG1-CE2 4.26Å; V49-L157 HydrophobicContact CG1-CD2 4.07Å; V49-L157 HydrophobicContact CG2-CD2 3.97Å; V49-I166 HydrophobicContact CG2-CD1 3.33Å; V49-V169 HydrophobicContact CG1-CG2 4.11Å; V49-F171 HydrophobicContact CG1-CE1 4.07Å; V49-F171 HydrophobicContact CG1-CZ 3.73Å
50Y89.6Confident80Confident8 Ų850.4 Ų50.43%0.03124%0.239CC..Hα-helixtrans-67.4-35.1177.7-62.9-46.7000112.7L46 N47 D48 F53 K54 I69 Q72 I84 F155L46-Y50 HydrophobicContact CD1-CE2 4.39Å; L46-Y50 HydrophobicContact CD2-CE2 3.9Å; L46-Y50 WeakPolarHBondContact CD2-OH 3.39Å; L46-Y50 HydrophobicContact CG-CD2 4.35Å; L46-Y50 HydrophobicContact CG-CE2 3.57Å; L46-Y50 WeakPolarHBondContact O-CD2 3.48Å; L46-Y50 PolarHBondContact O-N 3.49Å; L46-Y50 VanDerWaalsContact O-N 3.14Å; N47-Y50 PolarHBondContact O-N 2.92Å; N47-Y50 VanDerWaalsContact O-N 3.14Å; D48-Y50 VanDerWaalsContact C-N 3.34Å; D48-Y50 PolarHBondContact O-N 2.92Å; Y50-F53 WeakPolarHBondContact O-CB 3.43Å; Y50-F53 PolarHBondContact O-N 2.99Å; Y50-K54 VanDerWaalsContact O-CG 3.28Å; Y50-K54 WeakPolarHBondContact O-CG 3.42Å; Y50-K54 PolarHBondContact O-N 3.37Å; Y50-I69 HydrophobicContact CD1-CD1 3.83Å; Y50-I69 HydrophobicContact CG-CD1 4.08Å; Y50-Q72 HydrophobicContact CE1-CB 4.13Å; Y50-Q72 HydrophobicContact CE1-CG 4.43Å; Y50-Q72 HydrophobicContact CE2-CG 4.39Å; Y50-I84 HydrophobicContact CD1-CD1 3.93Å; Y50-I84 HydrophobicContact CD1-CG1 4.4Å; Y50-I84 HydrophobicContact CE1-CD1 4.09Å; Y50-I84 HydrophobicContact CE1-CG1 4.17Å; Y50-F155 AromaticContact CE1-CE1 3.93Å; Y50-F155 HydrophobicContact CE1-CE1 3.93Å; Y50-F155 AromaticContact CE1-CZ 3.97Å; Y50-F155 HydrophobicContact CE1-CZ 3.97Å
51D88.7Confident81.1Confident35 Ų3551 Ų5119%0.18724%0.244CC..Hα-helixtrans-72.7-36.8177.5-72.7-11.2000112N47 D48 V49 F53 K54 Y55 V127 L133N47-D51 PolarHBondContact O-N 3.07Å; D48-D51 PolarHBondContact O-N 2.85Å; V49-D51 VanDerWaalsContact C-N 3.35Å; D51-F53 VanDerWaalsContact C-N 3.34Å; D51-K54 PolarHBondContact O-N 3.15Å; D51-K54 IonicContact OD1-NZ 2.84Å; D51-K54 PolarHBondContact OD1-NZ 3.41Å; D51-Y55 PolarHBondContact O-N 3.06Å; D51-V127 HydrophobicContact CB-CB 4.42Å; D51-L133 HydrophobicContact CB-CD1 3.95Å; D51-L133 HydrophobicContact CB-CD2 3.9Å; D51-L133 WeakPolarHBondContact OD1-CD2 3.3Å; D51-L133 WeakPolarHBondContact OD2-CD1 3.4Å
52V86.8Confident82.6Confident2 Ų250.5 Ų50.51%0.01225%0.245CC..Hα-helixtrans-55.9-51.2166.3170.60000110D48 V49 K54 Y55 L56 F103 I121 L123 V127 F171D48-V52 WeakPolarHBondContact O-CB 3.11Å; D48-V52 WeakPolarHBondContact O-CG2 2.96Å; D48-V52 PolarHBondContact O-N 3.12Å; V49-V52 WeakPolarHBondContact O-CB 3.32Å; V49-V52 PolarHBondContact O-N 3.4Å; V52-K54 PolarHBondContact O-N 3.37Å; V52-Y55 PolarHBondContact O-N 3.45Å; V52-L56 HydrophobicContact CG1-CD1 3.5Å; V52-L56 HydrophobicContact CG1-CG 4.31Å; V52-L56 WeakPolarHBondContact O-CD1 3.42Å; V52-L56 VanDerWaalsContact O-CG 3.23Å; V52-L56 WeakPolarHBondContact O-CG 3.47Å; V52-L56 PolarHBondContact O-N 2.82Å; V52-F103 HydrophobicContact CG1-CZ 4.43Å; V52-F103 HydrophobicContact CG2-CE2 3.77Å; V52-F103 HydrophobicContact CG2-CZ 4.29Å; V52-I121 HydrophobicContact CG1-CD1 4.29Å; V52-L123 HydrophobicContact CG2-CD2 3.79Å; V52-V127 HydrophobicContact CB-CG2 4.05Å; V52-V127 HydrophobicContact CG2-CB 4.48Å; V52-V127 HydrophobicContact CG2-CG2 3.19Å; V52-F171 HydrophobicContact CG1-CE2 4.2Å
53F90Very high84Confident3 Ų345.1 Ų45.11%0.01322%0.221CC..Hα-helixtrans-56.6-52.8179.5176.9-97.6000112V49 Y50 D51 Y55 L56 Y57 I69 I84 V86 C153 F171V49-F53 WeakPolarHBondContact O-CB 3.36Å; V49-F53 PolarHBondContact O-N 2.91Å; Y50-F53 WeakPolarHBondContact O-CB 3.43Å; Y50-F53 PolarHBondContact O-N 2.99Å; D51-F53 VanDerWaalsContact C-N 3.34Å; F53-Y55 VanDerWaalsContact C-N 3.26Å; F53-Y55 PolarHBondContact O-N 2.85Å; F53-L56 PolarHBondContact O-N 2.04Å; F53-Y57 HydrophobicContact CE1-CD2 4.42Å; F53-Y57 HydrophobicContact CE1-CG 4.33Å; F53-Y57 HydrophobicContact CE2-CD2 4.24Å; F53-Y57 AromaticContact CZ-CD2 3.68Å; F53-Y57 HydrophobicContact CZ-CD2 3.68Å; F53-Y57 AromaticContact CZ-CG 3.99Å; F53-Y57 HydrophobicContact CZ-CG 3.99Å; F53-Y57 VanDerWaalsContact O-CB 3.28Å; F53-Y57 WeakPolarHBondContact O-CB 3.36Å; F53-Y57 PolarHBondContact O-N 3.01Å; F53-I69 HydrophobicContact CD1-CD1 3.91Å; F53-I69 HydrophobicContact CD1-CG1 4Å; F53-I69 HydrophobicContact CE1-CG1 4.23Å; F53-I84 HydrophobicContact CB-CD1 4.26Å; F53-I84 HydrophobicContact CD1-CD1 3.94Å; F53-I84 HydrophobicContact CD1-CG2 4.14Å; F53-I84 HydrophobicContact CD2-CD1 4.05Å; F53-I84 HydrophobicContact CE1-CD1 4.37Å; F53-I84 HydrophobicContact CE1-CG2 3.78Å; F53-I84 HydrophobicContact CE2-CD1 4.44Å; F53-I84 HydrophobicContact CG-CD1 3.77Å; F53-I84 HydrophobicContact CZ-CG2 4.25Å; F53-V86 HydrophobicContact CE1-CG2 3.55Å; F53-V86 HydrophobicContact CZ-CG2 3.51Å; F53-C153 HydrophobicContact CE2-CB 3.85Å; F53-C153 HydrophobicContact CZ-CB 3.95Å; F53-C153 VanDerWaalsContact CZ-SG 3.51Å; F53-F171 HydrophobicContact CB-CD1 4.36Å; F53-F171 HydrophobicContact CB-CE1 3.69Å; F53-F171 HydrophobicContact CB-CE2 4.43Å; F53-F171 HydrophobicContact CB-CZ 3.72Å; F53-F171 HydrophobicContact CD2-CB 4.42Å; F53-F171 AromaticContact CD2-CD1 3.35Å; F53-F171 HydrophobicContact CD2-CD1 3.35Å; F53-F171 HydrophobicContact CD2-CD2 4.39Å; F53-F171 AromaticContact CD2-CE1 3.58Å; F53-F171 HydrophobicContact CD2-CE1 3.58Å; F53-F171 AromaticContact CD2-CG 3.82Å; F53-F171 HydrophobicContact CD2-CG 3.82Å; F53-F171 HydrophobicContact CD2-CZ 4.16Å; F53-F171 HydrophobicContact CE2-CD1 4.05Å; F53-F171 HydrophobicContact CE2-CG 4.41Å; F53-F171 HydrophobicContact CG-CD1 4.21Å; F53-F171 AromaticContact CG-CE1 3.98Å; F53-F171 HydrophobicContact CG-CE1 3.98Å; F53-F171 HydrophobicContact CG-CZ 4.42Å
54K91.6Very high85.6Confident39 Ų3940.6 Ų40.617%0.1721%0.21CC..Hα-helixtrans-55.1-43.2179.1-72.7166.5-162.9157.10111.5Y50 D51 V52 N58 I69 L133 L136Y50-K54 VanDerWaalsContact O-CG 3.28Å; Y50-K54 WeakPolarHBondContact O-CG 3.42Å; Y50-K54 PolarHBondContact O-N 3.37Å; D51-K54 PolarHBondContact O-N 3.15Å; D51-K54 IonicContact OD1-NZ 2.84Å; D51-K54 PolarHBondContact OD1-NZ 3.41Å; V52-K54 PolarHBondContact O-N 3.37Å; K54-N58 WeakPolarHBondContact O-CB 3.28Å; K54-N58 PolarHBondContact O-N 2.89Å; K54-N58 PolarHBondContact O-ND2 3.35Å; K54-I69 HydrophobicContact CG-CD1 4.28Å; K54-I69 HydrophobicContact CG-CG1 4.27Å; K54-L133 HydrophobicContact CB-CD2 4.33Å; K54-L133 HydrophobicContact CD-CD2 3.84Å; K54-L136 HydrophobicContact CB-CD1 3.79Å; K54-L136 HydrophobicContact CD-CD1 3.96Å; K54-L136 HydrophobicContact CG-CD1 4.04Å
55Y89.2Confident86.9Confident18 Ų1838.8 Ų38.87%0.07119%0.194CC..Hα-helixtrans-61.5-54.9177168.5-103.1000111.8D51 V52 F53 N58 K59 F98 C101 C129 L132D51-Y55 PolarHBondContact O-N 3.06Å; V52-Y55 PolarHBondContact O-N 3.45Å; F53-Y55 VanDerWaalsContact C-N 3.26Å; F53-Y55 PolarHBondContact O-N 2.85Å; Y55-N58 PolarHBondContact O-N 2.91Å; Y55-K59 HydrophobicContact CE2-CB 4.35Å; Y55-K59 HydrophobicContact CE2-CG 4.43Å; Y55-K59 WeakPolarHBondContact O-CB 3.31Å; Y55-K59 PolarHBondContact O-N 2.97Å; Y55-F98 AromaticContact CD2-CD1 3.89Å; Y55-F98 HydrophobicContact CD2-CD1 3.89Å; Y55-F98 HydrophobicContact CD2-CE1 4.47Å; Y55-F98 AromaticContact CE2-CD1 3.83Å; Y55-F98 HydrophobicContact CE2-CD1 3.83Å; Y55-C101 HydrophobicContact CD2-CB 4.23Å; Y55-C101 HydrophobicContact CE2-CB 3.76Å; Y55-C129 WeakPolarHBondContact CD2-SG 3.12Å; Y55-L132 HydrophobicContact CD2-CD2 4.24Å
56L87.4Confident87.8Confident3 Ų336.4 Ų36.42%0.01618%0.184CC..Hα-helixtrans-64.1-48.8-174.5-62.2158.1000111.7V52 F53 N58 K59 Y60 Y119 I121 F171V52-L56 HydrophobicContact CG1-CD1 3.5Å; V52-L56 HydrophobicContact CG1-CG 4.31Å; V52-L56 WeakPolarHBondContact O-CD1 3.42Å; V52-L56 VanDerWaalsContact O-CG 3.23Å; V52-L56 WeakPolarHBondContact O-CG 3.47Å; V52-L56 PolarHBondContact O-N 2.82Å; F53-L56 PolarHBondContact O-N 2.04Å; L56-N58 VanDerWaalsContact C-N 3.3Å; L56-N58 PolarHBondContact O-N 2.89Å; L56-K59 PolarHBondContact O-N 3.26Å; L56-Y60 HydrophobicContact CB-CD2 4.36Å; L56-Y60 HydrophobicContact CD2-CD2 4.3Å; L56-Y60 HydrophobicContact CD2-CE2 3.86Å; L56-Y60 WeakPolarHBondContact O-CB 2.87Å; L56-Y60 WeakPolarHBondContact O-CD2 3.28Å; L56-Y60 PolarHBondContact O-N 2.86Å; L56-Y119 HydrophobicContact CB-CD1 4.08Å; L56-Y119 HydrophobicContact CB-CE1 4.27Å; L56-I121 HydrophobicContact CD1-CD1 2.97Å; L56-I121 HydrophobicContact CD1-CG1 4.43Å; L56-I121 HydrophobicContact CD2-CD1 3.38Å; L56-I121 HydrophobicContact CG-CD1 3.7Å; L56-F171 HydrophobicContact CD1-CD2 4.37Å; L56-F171 HydrophobicContact CD1-CE2 4.19Å
57Y89.8Confident88.3Confident16 Ų1635.1 Ų35.16%0.06318%0.178CC..Hα-helixtrans-56.9-49-178.6-175.5-81.4000109.8F53 S61 V86 E151F53-Y57 HydrophobicContact CE1-CD2 4.42Å; F53-Y57 HydrophobicContact CE1-CG 4.33Å; F53-Y57 HydrophobicContact CE2-CD2 4.24Å; F53-Y57 AromaticContact CZ-CD2 3.68Å; F53-Y57 HydrophobicContact CZ-CD2 3.68Å; F53-Y57 AromaticContact CZ-CG 3.99Å; F53-Y57 HydrophobicContact CZ-CG 3.99Å; F53-Y57 VanDerWaalsContact O-CB 3.28Å; F53-Y57 WeakPolarHBondContact O-CB 3.36Å; F53-Y57 PolarHBondContact O-N 3.01Å; Y57-S61 WeakPolarHBondContact O-CA 3.49Å; Y57-S61 WeakPolarHBondContact O-CB 3.23Å; Y57-S61 PolarHBondContact O-N 3.4Å; Y57-V86 HydrophobicContact CD1-CG1 4.13Å; Y57-V86 HydrophobicContact CE1-CG1 3.71Å; Y57-V86 HydrophobicContact CE2-CG1 4.16Å; Y57-V86 HydrophobicContact CE2-CG2 4.49Å; Y57-E151 WeakPolarHBondContact CE2-OE2 3.3Å; Y57-E151 PolarHBondContact OH-OE2 3.33Å
58N91Very high88.8Confident2 Ų232.3 Ų32.31%0.01116%0.162CC..Hα-helixtrans-72.4-35-179.9-75.6-75.8000113.6K54 Y55 L56 Y60 L66 S67 K93 F98K54-N58 WeakPolarHBondContact O-CB 3.28Å; K54-N58 PolarHBondContact O-N 2.89Å; K54-N58 PolarHBondContact O-ND2 3.35Å; Y55-N58 PolarHBondContact O-N 2.91Å; L56-N58 VanDerWaalsContact C-N 3.3Å; L56-N58 PolarHBondContact O-N 2.89Å; N58-Y60 VanDerWaalsContact C-N 3.31Å; N58-Y60 PolarHBondContact O-N 3.26Å; N58-L66 HydrophobicContact CB-CD2 4.1Å; N58-L66 VanDerWaalsContact OD1-CA 3.25Å; N58-L66 WeakPolarHBondContact OD1-CA 3.38Å; N58-S67 PolarHBondContact ND2-O 2.91Å; N58-S67 PolarHBondContact OD1-N 2.86Å; N58-S67 PolarHBondContact OD1-O 3Å; N58-K93 WeakPolarHBondContact O-CD 3.44Å; N58-F98 HydrophobicContact CB-CE1 3.98Å; N58-F98 HydrophobicContact CB-CZ 3.92Å
59K87.9Confident89.3Confident81 Ų8130.4 Ų30.435%0.35215%0.152SC..Hα-helixtrans-67.3-36.2-179.6-177.763.2-175.9172.70111.7Y55 L56 F98Y55-K59 HydrophobicContact CE2-CB 4.35Å; Y55-K59 HydrophobicContact CE2-CG 4.43Å; Y55-K59 WeakPolarHBondContact O-CB 3.31Å; Y55-K59 PolarHBondContact O-N 2.97Å; L56-K59 PolarHBondContact O-N 3.26Å; K59-F98 HydrophobicContact CB-CD1 4.09Å; K59-F98 HydrophobicContact CB-CE1 3.86Å; K59-F98 HydrophobicContact CD-CB 4.32Å; K59-F98 HydrophobicContact CD-CD1 3.83Å; K59-F98 HydrophobicContact CD-CD2 4.4Å; K59-F98 HydrophobicContact CD-CE1 4.21Å; K59-F98 HydrophobicContact CD-CG 3.93Å
60Y85.5Confident89.7Confident46 Ų4634.3 Ų34.318%0.1817%0.169CC..Hα-helixtrans-107.7-17.2-171.5-66.7-64000114.2L56 N58 W105 I110 R112 Y119L56-Y60 HydrophobicContact CB-CD2 4.36Å; L56-Y60 HydrophobicContact CD2-CD2 4.3Å; L56-Y60 HydrophobicContact CD2-CE2 3.86Å; L56-Y60 WeakPolarHBondContact O-CB 2.87Å; L56-Y60 WeakPolarHBondContact O-CD2 3.28Å; L56-Y60 PolarHBondContact O-N 2.86Å; N58-Y60 VanDerWaalsContact C-N 3.31Å; N58-Y60 PolarHBondContact O-N 3.26Å; Y60-W105 WeakPolarHBondContact OH-CH2 3.42Å; Y60-I110 HydrophobicContact CD1-CD1 3.73Å; Y60-I110 HydrophobicContact CD2-CD1 3.48Å; Y60-I110 VanDerWaalsContact CD2-CD1 3.48Å; Y60-I110 HydrophobicContact CE1-CD1 3.56Å; Y60-I110 HydrophobicContact CE2-CD1 3.31Å; Y60-I110 HydrophobicContact CG-CD1 3.68Å; Y60-R112 PolarHBondContact O-NH2 2.73Å; Y60-Y119 HydrophobicContact CD2-CE1 4.07Å; Y60-Y119 HydrophobicContact CG-CE1 4.41Å
61S85.1Confident89.7Confident25 Ų2538.3 Ų38.318%0.17519%0.191CC..  trans-61.7140.8169176.90000110.2Y57 D63 K93Y57-S61 WeakPolarHBondContact O-CA 3.49Å; Y57-S61 WeakPolarHBondContact O-CB 3.23Å; Y57-S61 PolarHBondContact O-N 3.4Å; S61-D63 PolarHBondContact O-N 3.18Å; S61-D63 WeakPolarHBondContact OG-CB 3.36Å; S61-D63 PolarHBondContact OG-N 3.38Å; S61-D63 VanDerWaalsContact OG-N 3.16Å; S61-K93 PolarHBondContact O-NZ 3.3Å
62D86Confident89.9Confident135 Ų13541.2 Ų41.272%0.72220%0.203SC*.  trans-80.8-1.7175.2-58.2-39.4000111.8R112D62-R112 IonicContact OD1-NH1 2.63Å; D62-R112 IonicContact OD2-NH1 3.48Å
63D86.7Confident90.1Very high23 Ų2344.1 Ų44.112%0.12322%0.224CC..  trans-64.7133.3-180-157.7-61000112.2S61 Y65 K88 K93S61-D63 PolarHBondContact O-N 3.18Å; S61-D63 WeakPolarHBondContact OG-CB 3.36Å; S61-D63 PolarHBondContact OG-N 3.38Å; S61-D63 VanDerWaalsContact OG-N 3.16Å; D63-Y65 PolarHBondContact O-N 3.25Å; D63-Y65 WeakPolarHBondContact OD1-CB 3.36Å; D63-Y65 PolarHBondContact OD1-N 3.44Å; D63-K88 WeakPolarHBondContact OD2-CD 3.43Å; D63-K88 WeakPolarHBondContact OD2-CE 3.43Å; D63-K88 IonicContact OD2-NZ 3.55Å; D63-K88 PolarHBondContact OD2-NZ 2.85Å; D63-K93 VanDerWaalsContact O-CE 3.29Å; D63-K93 WeakPolarHBondContact O-CE 3.41Å; D63-K93 PolarHBondContact O-NZ 2.91Å
64P90.1Very high90Very high85 Ų8546.6 Ų46.655%0.55224%0.235SC*.SBendtrans-71.4-14.4176.328.3-35.2000113.8K93P64-K93 WeakPolarHBondContact O-CB 3.42Å; P64-K93 PolarHBondContact O-N 2.77Å
65Y91.6Very high89.6Confident77 Ų7748.9 Ų48.930%0.30225%0.252SS..EExtended strand (participates in β ladder)trans-104.6155.4176.2-62.6-85.8000111.3D63 C91 R92D63-Y65 PolarHBondContact O-N 3.25Å; D63-Y65 WeakPolarHBondContact OD1-CB 3.36Å; D63-Y65 PolarHBondContact OD1-N 3.44Å; Y65-C91 CarbonylContact C-O 3.49Å; Y65-C91 WeakPolarHBondContact CA-O 3.45Å; Y65-R92 HydrophobicContact CD1-CG 4.03Å; Y65-R92 HydrophobicContact CE1-CG 3.73Å
66L93.6Very high88.9Confident0 Ų050.6 Ų50.60%026%0.261CS..EExtended strand (participates in β ladder)trans-74.5144.9171.2-65.7176.7000109.6N58 T89 C91 K93 F98 L132 K135 L136N58-L66 HydrophobicContact CB-CD2 4.1Å; N58-L66 VanDerWaalsContact OD1-CA 3.25Å; N58-L66 WeakPolarHBondContact OD1-CA 3.38Å; L66-T89 WeakPolarHBondContact O-CA 3.39Å; L66-T89 VanDerWaalsContact O-CB 3.32Å; L66-T89 WeakPolarHBondContact O-CB 3.41Å; L66-T89 WeakPolarHBondContact O-CG2 3.39Å; L66-T89 PolarHBondContact O-N 3.14Å; L66-T89 PolarHBondContact O-OG1 3.14Å; L66-C91 HydrophobicContact CD1-CB 4.14Å; L66-C91 PolarHBondContact N-O 2.91Å; L66-K93 HydrophobicContact CD2-CB 3.96Å; L66-K93 HydrophobicContact CD2-CG 3.95Å; L66-K93 HydrophobicContact CG-CB 4.38Å; L66-F98 HydrophobicContact CD2-CZ 4.43Å; L66-L132 HydrophobicContact CD1-CD1 4.33Å; L66-L132 HydrophobicContact CD2-CD1 3.97Å; L66-K135 HydrophobicContact CD1-CD 3.8Å; L66-K135 HydrophobicContact CD1-CG 4.11Å; L66-L136 HydrophobicContact CB-CD2 3.89Å; L66-L136 HydrophobicContact CD1-CD2 4.17Å
67S92.8Very high88Confident3 Ų355.4 Ų55.42%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-114.7148.7169.4-59.50000110.5N58 V87 L136N58-S67 PolarHBondContact ND2-O 2.91Å; N58-S67 PolarHBondContact OD1-N 2.86Å; N58-S67 PolarHBondContact OD1-O 3Å; S67-V87 CarbonylContact C-O 3.59Å; S67-V87 VanDerWaalsContact CA-O 3.31Å; S67-V87 WeakPolarHBondContact CA-O 3.25Å; S67-L136 WeakPolarHBondContact O-CD2 3.44Å
68N94.1Very high86.7Confident21 Ų2158.2 Ų58.211%0.11231%0.305CS..EExtended strand (participates in β ladder)trans-132.2163.2176.9-159.38000111.1K70 V87 T89 L136 F141N68-K70 PolarHBondContact O-N 3.37Å; N68-V87 PolarHBondContact N-O 2.8Å; N68-V87 PolarHBondContact O-N 2.85Å; N68-T89 HydrophobicContact CB-CG2 3.93Å; N68-L136 HydrophobicContact CB-CD2 4.16Å; N68-L136 PolarHBondContact ND2-O 3.09Å; N68-L136 VanDerWaalsContact ND2-O 3.12Å; N68-F141 HydrophobicContact CB-CE1 3.86Å; N68-F141 HydrophobicContact CB-CZ 4.16Å
69I93.8Very high85.5Confident16 Ų1662.9 Ų62.98%0.08232%0.323CS..EExtended strand (participates in β ladder)trans-71.7118.9174.9-55.4-179.2000108.2Y50 F53 K54 N71 Q72 I84 E85Y50-I69 HydrophobicContact CD1-CD1 3.83Å; Y50-I69 HydrophobicContact CG-CD1 4.08Å; F53-I69 HydrophobicContact CD1-CD1 3.91Å; F53-I69 HydrophobicContact CD1-CG1 4Å; F53-I69 HydrophobicContact CE1-CG1 4.23Å; K54-I69 HydrophobicContact CG-CD1 4.28Å; K54-I69 HydrophobicContact CG-CG1 4.27Å; I69-N71 WeakPolarHBondContact CG2-O 3.48Å; I69-Q72 HydrophobicContact CG2-CB 4.04Å; I69-I84 HydrophobicContact CB-CG2 4.14Å; I69-I84 HydrophobicContact CD1-CD1 4.33Å; I69-I84 HydrophobicContact CD1-CG2 3.88Å; I69-I84 HydrophobicContact CG1-CG2 3.6Å; I69-I84 HydrophobicContact CG2-CG2 3.74Å; I69-E85 WeakPolarHBondContact CA-O 3.13Å
70K91.5Very high85.1Confident83 Ų8359 Ų5936%0.36131%0.306SS..EExtended strand (participates in β ladder)trans-88.4-47.7173.9-178.7171.3177.61700111.1N68 E85 V87 F141 Q144N68-K70 PolarHBondContact O-N 3.37Å; K70-E85 PolarHBondContact N-O 2.86Å; K70-V87 HydrophobicContact CB-CB 4.24Å; K70-V87 HydrophobicContact CB-CG2 3.67Å; K70-V87 HydrophobicContact CD-CB 4.5Å; K70-V87 HydrophobicContact CD-CG2 3.72Å; K70-V87 HydrophobicContact CG-CG2 4.32Å; K70-F141 HydrophobicContact CB-CE1 4.27Å; K70-F141 HydrophobicContact CB-CZ 4.15Å; K70-Q144 VanDerWaalsContact NZ-CD 3.34Å
71N90.9Very high85.2Confident92 Ų9260.7 Ų60.749%0.49231%0.314SS..EExtended strand (participates in β ladder)trans-136.2152.8178.1-70.9-45000109.8I69 E85I69-N71 WeakPolarHBondContact CG2-O 3.48Å; N71-E85 HydrophobicContact CB-CB 4Å; N71-E85 PolarHBondContact ND2-OE2 2.83Å; N71-E85 PolarHBondContact O-N 2.75Å
72Q92.8Very high85.4Confident95 Ų9560 Ų6044%0.44431%0.31SS..EExtended strand (participates in β ladder)trans-148.7144177.863.8-160.733.400110.4Y50 I69 E83Y50-Q72 HydrophobicContact CE1-CB 4.13Å; Y50-Q72 HydrophobicContact CE1-CG 4.43Å; Y50-Q72 HydrophobicContact CE2-CG 4.39Å; I69-Q72 HydrophobicContact CG2-CB 4.04Å; Q72-E83 CarbonylContact C-O 3.5Å; Q72-E83 VanDerWaalsContact CA-O 3.25Å; Q72-E83 WeakPolarHBondContact CA-O 2.97Å
73S90.7Very high85.7Confident63 Ų6356.8 Ų56.844%0.44129%0.291SS..EExtended strand (participates in β ladder)trans-130.5148.8171.472.70000109.4G82 E83S73-G82 CarbonylContact O-C 3.5Å; S73-G82 WeakPolarHBondContact O-CA 3.37Å; S73-E83 PolarHBondContact N-O 2.91Å; S73-E83 PolarHBondContact O-N 3.04Å; S73-E83 WeakPolarHBondContact OG-CB 3.06Å
74F88.3Confident86.1Confident55 Ų5555.7 Ų55.724%0.24129%0.285CS..EExtended strand (participates in β ladder)trans-143.5139179.2177.2-105.3000109.3F40 L46 M76 F81 F155 L157F40-F74 HydrophobicContact CD1-CE1 4.42Å; F40-F74 HydrophobicContact CD1-CZ 4.4Å; F40-F74 AromaticContact CE1-CE1 3.88Å; F40-F74 HydrophobicContact CE1-CE1 3.88Å; F40-F74 AromaticContact CE1-CZ 3.66Å; F40-F74 HydrophobicContact CE1-CZ 3.66Å; F40-F74 HydrophobicContact CZ-CZ 4.47Å; L46-F74 HydrophobicContact CD1-CD1 4.49Å; L46-F74 HydrophobicContact CD1-CD2 3.95Å; L46-F74 HydrophobicContact CD1-CE2 4.14Å; L46-F74 HydrophobicContact CD1-CG 4.14Å; L46-F74 HydrophobicContact CD1-CZ 4.47Å; L46-F74 HydrophobicContact CD2-CB 3.99Å; L46-F74 HydrophobicContact CD2-CD1 3.88Å; L46-F74 HydrophobicContact CD2-CG 3.86Å; F74-M76 HydrophobicContact CE1-CB 3.89Å; F74-M76 HydrophobicContact CE1-SD 4.34Å; F74-M76 HydrophobicContact CZ-CB 4.15Å; F74-M76 HydrophobicContact CZ-SD 3.76Å; F74-F81 CarbonylContact C-O 3.57Å; F74-F81 WeakPolarHBondContact CA-O 3.07Å; F74-F81 WeakPolarHBondContact CD2-O 3.26Å; F74-F155 AromaticContact CD2-CE2 3.78Å; F74-F155 HydrophobicContact CD2-CE2 3.78Å; F74-F155 AromaticContact CD2-CZ 3.73Å; F74-F155 HydrophobicContact CD2-CZ 3.73Å; F74-F155 HydrophobicContact CE2-CE2 4.06Å; F74-F155 HydrophobicContact CE2-CZ 4.47Å; F74-L157 HydrophobicContact CE2-CD1 3.63Å; F74-L157 HydrophobicContact CE2-CG 4.3Å; F74-L157 HydrophobicContact CZ-CD1 3.89Å
75T82.8Confident86.2Confident88 Ų8852.9 Ų52.954%0.5427%0.265SS..EExtended strand (participates in β ladder)trans-135.9128.5175.6-62.10000108.5I77 F81T75-I77 HydrophobicContact CG2-CG2 4.29Å; T75-F81 PolarHBondContact N-O 3.15Å; T75-F81 PolarHBondContact O-N 2.94Å; T75-F81 VanDerWaalsContact O-O 3.12Å
76M73.8Confident86.2Confident53 Ų5349.3 Ų49.326%0.26125%0.251SS..EExtended strand (participates in β ladder)trans-104.2113.1175.9-165.768.5175.800108.7F36 F40 F74 G80F36-M76 HydrophobicContact CD1-CE 3.49Å; F36-M76 VanDerWaalsContact CD1-CE 3.49Å; F36-M76 HydrophobicContact CE1-CE 3.45Å; F36-M76 VanDerWaalsContact CE1-CE 3.45Å; F40-M76 HydrophobicContact CD1-CE 4.47Å; F40-M76 HydrophobicContact CD1-SD 4.34Å; F74-M76 HydrophobicContact CE1-CB 3.89Å; F74-M76 HydrophobicContact CE1-SD 4.34Å; F74-M76 HydrophobicContact CZ-CB 4.15Å; F74-M76 HydrophobicContact CZ-SD 3.76Å; M76-G80 WeakPolarHBondContact SD-CA 3.11Å
77I70.1Confident86Confident104 Ų10449.5 Ų49.553%0.53325%0.252SS..SBendtrans-112.1-132.8166.951.2166.7000107.8T75 W79 F81T75-I77 HydrophobicContact CG2-CG2 4.29Å; I77-W79 WeakPolarHBondContact CG1-O 3.44Å; I77-W79 PolarHBondContact N-O 2.84Å; I77-W79 PolarHBondContact O-N 3.36Å; I77-F81 HydrophobicContact CD1-CD2 4.22Å; I77-F81 HydrophobicContact CD1-CE2 3.93Å; I77-F81 HydrophobicContact CG1-CD2 4.1Å; I77-F81 HydrophobicContact CG1-CE2 4.08Å
78T62.6Low85.9Confident75 Ų7552 Ų5246%0.4626%0.263SS..SBendtrans-62.1-30.3169-45.70000112.3I33 Y161I33-T78 HydrophobicContact CD1-CG2 3.99Å; I33-T78 HydrophobicContact CG2-CG2 4.49Å; T78-Y161 PolarHBondContact O-OH 3.27Å
79W65.7Low85.8Confident101 Ų10151 Ų5138%0.38326%0.257SS..SBendtrans-122.4159.6173.1-51.789.3000109.4I77 F81 Y158I77-W79 WeakPolarHBondContact CG1-O 3.44Å; I77-W79 PolarHBondContact N-O 2.84Å; I77-W79 PolarHBondContact O-N 3.36Å; W79-F81 HydrophobicContact CB-CD2 4.26Å; W79-F81 HydrophobicContact CB-CE2 3.56Å; W79-F81 HydrophobicContact CB-CZ 3.85Å; W79-F81 HydrophobicContact CG-CE2 4.3Å; W79-F81 HydrophobicContact CG-CZ 4.3Å; W79-Y158 HydrophobicContact CE3-CD1 4.12Å; W79-Y158 HydrophobicContact CH2-CD1 4.49Å; W79-Y158 AromaticContact CZ3-CD1 3.66Å; W79-Y158 HydrophobicContact CZ3-CD1 3.66Å; W79-Y158 HydrophobicContact CZ3-CE1 4.24Å
80G79.3Confident85.7Confident0 Ų055.5 Ų55.50%028%0.276CS..EExtended strand (participates in β ladder)trans-89.2125.1171.100000110.8M76 Q156 L157M76-G80 WeakPolarHBondContact SD-CA 3.11Å; G80-Q156 CarbonylContact O-C 3.59Å; G80-Q156 WeakPolarHBondContact O-CA 3.44Å; G80-L157 PolarHBondContact O-N 3.41Å
81F86.5Confident85.7Confident81 Ų8152.9 Ų52.936%0.35527%0.268SS..EExtended strand (participates in β ladder)trans-123.9146.8173.7-62.7-83.5000110.3F74 T75 I77 W79 F155 Q156F74-F81 CarbonylContact C-O 3.57Å; F74-F81 WeakPolarHBondContact CA-O 3.07Å; F74-F81 WeakPolarHBondContact CD2-O 3.26Å; T75-F81 PolarHBondContact N-O 3.15Å; T75-F81 PolarHBondContact O-N 2.94Å; T75-F81 VanDerWaalsContact O-O 3.12Å; I77-F81 HydrophobicContact CD1-CD2 4.22Å; I77-F81 HydrophobicContact CD1-CE2 3.93Å; I77-F81 HydrophobicContact CG1-CD2 4.1Å; I77-F81 HydrophobicContact CG1-CE2 4.08Å; W79-F81 HydrophobicContact CB-CD2 4.26Å; W79-F81 HydrophobicContact CB-CE2 3.56Å; W79-F81 HydrophobicContact CB-CZ 3.85Å; W79-F81 HydrophobicContact CG-CE2 4.3Å; W79-F81 HydrophobicContact CG-CZ 4.3Å; F81-F155 CarbonylContact C-O 3.49Å; F81-F155 WeakPolarHBondContact CA-O 3.31Å; F81-Q156 HydrophobicContact CD1-CB 4.07Å; F81-Q156 HydrophobicContact CD1-CG 3.97Å; F81-Q156 HydrophobicContact CE1-CB 4.07Å; F81-Q156 VanDerWaalsContact CE1-CD 3.45Å; F81-Q156 HydrophobicContact CE1-CG 3.59Å; F81-Q156 HydrophobicContact CZ-CG 4.26Å
82G90.3Very high85.8Confident9 Ų956.7 Ų56.79%0.09328%0.276CS..EExtended strand (participates in β ladder)trans-154.1168.7171.200000113.8S73 Y154 F155S73-G82 CarbonylContact O-C 3.5Å; S73-G82 WeakPolarHBondContact O-CA 3.37Å; G82-Y154 CarbonylContact O-C 3.6Å; G82-Y154 WeakPolarHBondContact O-CA 3.35Å; G82-F155 VanDerWaalsContact C-CD1 3.5Å; G82-F155 VanDerWaalsContact C-CE1 3.48Å; G82-F155 PolarHBondContact N-O 2.9Å; G82-F155 WeakPolarHBondContact O-CD1 3.41Å; G82-F155 PolarHBondContact O-N 2.87Å
83E92.8Very high85.7Confident69 Ų6954.8 Ų54.832%0.32227%0.266SS..EExtended strand (participates in β ladder)trans-123.9139.8178.1-169.4-178.798.900108.7Q72 S73 I152 C153 Y154Q72-E83 CarbonylContact C-O 3.5Å; Q72-E83 VanDerWaalsContact CA-O 3.25Å; Q72-E83 WeakPolarHBondContact CA-O 2.97Å; S73-E83 PolarHBondContact N-O 2.91Å; S73-E83 PolarHBondContact O-N 3.04Å; S73-E83 WeakPolarHBondContact OG-CB 3.06Å; E83-I152 HydrophobicContact CG-CG2 3.52Å; E83-C153 CarbonylContact C-O 3.49Å; E83-C153 WeakPolarHBondContact CA-O 3.34Å; E83-Y154 HydrophobicContact CB-CD1 4.34Å; E83-Y154 HydrophobicContact CB-CE1 4.27Å; E83-Y154 HydrophobicContact CG-CD1 4.2Å; E83-Y154 HydrophobicContact CG-CE1 3.84Å; E83-Y154 WeakPolarHBondContact OE2-CE1 3.24Å; E83-Y154 PolarHBondContact OE2-OH 3.41Å; E83-Y154 VanDerWaalsContact OE2-OH 3.05Å
84I93.9Very high85.7Confident0 Ų055.6 Ų55.60%027%0.265CS..EExtended strand (participates in β ladder)trans-127.7121.3178.5-60.2174.5000107.7Y50 F53 I69 V86 C153 F155 F171Y50-I84 HydrophobicContact CD1-CD1 3.93Å; Y50-I84 HydrophobicContact CD1-CG1 4.4Å; Y50-I84 HydrophobicContact CE1-CD1 4.09Å; Y50-I84 HydrophobicContact CE1-CG1 4.17Å; F53-I84 HydrophobicContact CB-CD1 4.26Å; F53-I84 HydrophobicContact CD1-CD1 3.94Å; F53-I84 HydrophobicContact CD1-CG2 4.14Å; F53-I84 HydrophobicContact CD2-CD1 4.05Å; F53-I84 HydrophobicContact CE1-CD1 4.37Å; F53-I84 HydrophobicContact CE1-CG2 3.78Å; F53-I84 HydrophobicContact CE2-CD1 4.44Å; F53-I84 HydrophobicContact CG-CD1 3.77Å; F53-I84 HydrophobicContact CZ-CG2 4.25Å; I69-I84 HydrophobicContact CB-CG2 4.14Å; I69-I84 HydrophobicContact CD1-CD1 4.33Å; I69-I84 HydrophobicContact CD1-CG2 3.88Å; I69-I84 HydrophobicContact CG1-CG2 3.6Å; I69-I84 HydrophobicContact CG2-CG2 3.74Å; I84-V86 HydrophobicContact CG2-CG2 3.85Å; I84-C153 HydrophobicContact CB-CB 4.28Å; I84-C153 PolarHBondContact N-O 2.91Å; I84-C153 PolarHBondContact O-N 3.43Å; I84-F155 HydrophobicContact CD1-CD1 3.73Å; I84-F155 HydrophobicContact CD1-CE1 3.92Å; I84-F155 HydrophobicContact CG1-CD1 3.83Å; I84-F155 HydrophobicContact CG1-CE1 3.78Å; I84-F171 HydrophobicContact CD1-CD1 4.45Å; I84-F171 HydrophobicContact CD1-CE1 4.14Å
85E92.1Very high85.5Confident26 Ų2658.9 Ų58.912%0.12129%0.285CS..EExtended strand (participates in β ladder)trans-87.1118.9166.7-174.3-171.516700108.9I69 K70 N71 V87 I152I69-E85 WeakPolarHBondContact CA-O 3.13Å; K70-E85 PolarHBondContact N-O 2.86Å; N71-E85 HydrophobicContact CB-CB 4Å; N71-E85 PolarHBondContact ND2-OE2 2.83Å; N71-E85 PolarHBondContact O-N 2.75Å; E85-V87 HydrophobicContact CG-CG2 4.29Å; E85-I152 HydrophobicContact CB-CD1 4.14Å; E85-I152 HydrophobicContact CG-CD1 4.1Å
86V91.1Very high85.6Confident2 Ų257.3 Ų57.31%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-106.4131.2-179.6-173.10000110.1F53 Y57 I84 E151F53-V86 HydrophobicContact CE1-CG2 3.55Å; F53-V86 HydrophobicContact CZ-CG2 3.51Å; Y57-V86 HydrophobicContact CD1-CG1 4.13Å; Y57-V86 HydrophobicContact CE1-CG1 3.71Å; Y57-V86 HydrophobicContact CE2-CG1 4.16Å; Y57-V86 HydrophobicContact CE2-CG2 4.49Å; I84-V86 HydrophobicContact CG2-CG2 3.85Å; V86-E151 HydrophobicContact CB-CB 4.37Å; V86-E151 PolarHBondContact N-O 2.9Å; V86-E151 PolarHBondContact O-N 3.16Å
87V90.1Very high86.1Confident4 Ų455 Ų552%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-132.2140.4-179.9-176.30000109.9S67 N68 K70 E85 F141 L148S67-V87 CarbonylContact C-O 3.59Å; S67-V87 VanDerWaalsContact CA-O 3.31Å; S67-V87 WeakPolarHBondContact CA-O 3.25Å; N68-V87 PolarHBondContact N-O 2.8Å; N68-V87 PolarHBondContact O-N 2.85Å; K70-V87 HydrophobicContact CB-CB 4.24Å; K70-V87 HydrophobicContact CB-CG2 3.67Å; K70-V87 HydrophobicContact CD-CB 4.5Å; K70-V87 HydrophobicContact CD-CG2 3.72Å; K70-V87 HydrophobicContact CG-CG2 4.32Å; E85-V87 HydrophobicContact CG-CG2 4.29Å; V87-F141 HydrophobicContact CB-CD1 3.87Å; V87-F141 HydrophobicContact CB-CE1 4.1Å; V87-F141 HydrophobicContact CG1-CD1 3.97Å; V87-L148 HydrophobicContact CG1-CD2 4.29Å
88K90.6Very high86.8Confident54 Ų5450.8 Ų50.824%0.23524%0.243CC..EExtended strand (participates in β ladder)trans-65.5147.9175.6-57.9-173.5-166-165.80111.3D63 E142 L148D63-K88 WeakPolarHBondContact OD2-CD 3.43Å; D63-K88 WeakPolarHBondContact OD2-CE 3.43Å; D63-K88 IonicContact OD2-NZ 3.55Å; D63-K88 PolarHBondContact OD2-NZ 2.85Å; K88-E142 PolarHBondContact O-N 2.89Å; K88-L148 HydrophobicContact CB-CD2 3.89Å; K88-L148 HydrophobicContact CG-CD2 4.31Å
89T91.9Very high87.4Confident0 Ų055 Ų550%025%0.252CS..EExtended strand (participates in β ladder)trans-111.8165.2177.174.80000110.1L66 N68 C91 C139 P140 F141L66-T89 WeakPolarHBondContact O-CA 3.39Å; L66-T89 VanDerWaalsContact O-CB 3.32Å; L66-T89 WeakPolarHBondContact O-CB 3.41Å; L66-T89 WeakPolarHBondContact O-CG2 3.39Å; L66-T89 PolarHBondContact O-N 3.14Å; L66-T89 PolarHBondContact O-OG1 3.14Å; N68-T89 HydrophobicContact CB-CG2 3.93Å; T89-C91 PolarHBondContact O-N 3.38Å; T89-C91 PolarHBondContact OG1-N 2.89Å; T89-C139 WeakPolarHBondContact CB-SG 3.48Å; T89-C139 HydrophobicContact CG2-CB 4.42Å; T89-C139 PolarHBondContact OG1-SG 3.12Å; T89-P140 CarbonylContact C-O 3.58Å; T89-P140 WeakPolarHBondContact CA-O 3.34Å; T89-P140 WeakPolarHBondContact CB-O 3.48Å; T89-F141 HydrophobicContact CG2-CD1 4.16Å; T89-F141 HydrophobicContact CG2-CE1 4.36Å
90K91.6Very high87.6Confident111 Ų11158 Ų5848%0.48327%0.268SS..EExtended strand (participates in β ladder)trans-73.9-6177.1-58.4-173.5-179.6-178.60113.3P140 F141K90-P140 HydrophobicContact CB-CG 4.19Å; K90-P140 HydrophobicContact CD-CG 4.05Å; K90-P140 HydrophobicContact CG-CG 4.26Å; K90-P140 PolarHBondContact N-O 2.95Å; K90-F141 WeakPolarHBondContact CE-O 3.45Å
91C92.8Very high87.5Confident28 Ų2859 Ų5919%0.18928%0.275CS..EExtended strand (participates in β ladder)trans-87.7129.9-175.6-61.70000111.4Y65 L66 T89 C139Y65-C91 CarbonylContact C-O 3.49Å; Y65-C91 WeakPolarHBondContact CA-O 3.45Å; L66-C91 HydrophobicContact CD1-CB 4.14Å; L66-C91 PolarHBondContact N-O 2.91Å; T89-C91 PolarHBondContact O-N 3.38Å; T89-C91 PolarHBondContact OG1-N 2.89Å; C91-C139 VanDerWaalsContact CA-SG 3.52Å; C91-C139 HydrophobicContact CB-CB 3.97Å; C91-C139 WeakPolarHBondContact CB-SG 3.38Å; C91-C139 PolarHBondContact N-SG 2.84Å; C91-C139 WeakPolarHBondContact SG-CB 3.44Å; C91-C139 CovalentContact SG-SG 2.01Å; C91-C139 PolarHBondContact SG-SG 2.86Å
92R92.4Very high86.4Confident173 Ų17358.2 Ų58.265%0.65328%0.279SS*.EExtended strand (participates in β ladder)trans-67.3140.2171.7-69.4-173.4178.2-179.80.6111.6Y65 K135Y65-R92 HydrophobicContact CD1-CG 4.03Å; Y65-R92 HydrophobicContact CE1-CG 3.73Å; R92-K135 PolarHBondContact O-NZ 3Å
93K91.3Very high85.1Confident55 Ų5559.1 Ų59.124%0.23928%0.281CS..PPolyproline II helixtrans-72124.5168.9-174177.272.5-160.60108.8N58 S61 D63 P64 L66 F98N58-K93 WeakPolarHBondContact O-CD 3.44Å; S61-K93 PolarHBondContact O-NZ 3.3Å; D63-K93 VanDerWaalsContact O-CE 3.29Å; D63-K93 WeakPolarHBondContact O-CE 3.41Å; D63-K93 PolarHBondContact O-NZ 2.91Å; P64-K93 WeakPolarHBondContact O-CB 3.42Å; P64-K93 PolarHBondContact O-N 2.77Å; L66-K93 HydrophobicContact CD2-CB 3.96Å; L66-K93 HydrophobicContact CD2-CG 3.95Å; L66-K93 HydrophobicContact CG-CB 4.38Å; K93-F98 HydrophobicContact CD-CE2 4.21Å; K93-F98 HydrophobicContact CD-CZ 4.15Å; K93-F98 HydrophobicContact CG-CE2 3.76Å; K93-F98 HydrophobicContact CG-CZ 4.01Å
94I90.2Very high83.2Confident80 Ų8062.8 Ų62.841%0.4130%0.298SS..  trans-129.3141.9172.658.8174.5000109.2S96 D97I94-S96 WeakPolarHBondContact CD1-OG 3.3Å; I94-S96 PolarHBondContact O-N 2.9Å; I94-S96 VanDerWaalsContact O-N 3.11Å; I94-D97 HydrophobicContact CG1-CB 4.42Å; I94-D97 WeakPolarHBondContact CG1-OD1 3.5Å; I94-D97 WeakPolarHBondContact CG1-OD2 3.18Å; I94-D97 WeakPolarHBondContact O-CB 3.46Å; I94-D97 PolarHBondContact O-N 2.94Å
95D84.1Confident81.4Confident124 Ų12469.1 Ų69.166%0.66332%0.322SS*.G310 helixtrans-59.2-31.3-174.9-73.4-37.2000113.1D97 F98D95-D97 PolarHBondContact O-N 3.42Å; D95-D97 VanDerWaalsContact O-N 3.13Å; D95-F98 PolarHBondContact O-N 3.48Å
96S85.4Confident79.4Confident54 Ų5473.8 Ų73.838%0.37834%0.344SS..G310 helixtrans-63.7-17.7178.783.50000113.8I94 F98 Y99 K131I94-S96 WeakPolarHBondContact CD1-OG 3.3Å; I94-S96 PolarHBondContact O-N 2.9Å; I94-S96 VanDerWaalsContact O-N 3.11Å; S96-F98 PolarHBondContact O-N 3.45Å; S96-Y99 WeakPolarHBondContact O-CB 3.39Å; S96-Y99 PolarHBondContact O-N 3.18Å; S96-K131 WeakPolarHBondContact O-CD 3.47Å; S96-K131 WeakPolarHBondContact O-CE 3.45Å; S96-K131 PolarHBondContact O-NZ 3.32Å; S96-K131 PolarHBondContact OG-NZ 3.12Å
97D83.6Confident77.7Confident5 Ų580.8 Ų80.83%0.02737%0.374CS..G310 helixtrans-69.7-25.7175.6-65.5-27.7000111.9I94 D95 L132 K135I94-D97 HydrophobicContact CG1-CB 4.42Å; I94-D97 WeakPolarHBondContact CG1-OD1 3.5Å; I94-D97 WeakPolarHBondContact CG1-OD2 3.18Å; I94-D97 WeakPolarHBondContact O-CB 3.46Å; I94-D97 PolarHBondContact O-N 2.94Å; D95-D97 PolarHBondContact O-N 3.42Å; D95-D97 VanDerWaalsContact O-N 3.13Å; D97-L132 HydrophobicContact CB-CD1 4.27Å; D97-L132 PolarHBondContact O-N 3.05Å; D97-K135 WeakPolarHBondContact OD1-CD 3.12Å; D97-K135 IonicContact OD1-NZ 2.66Å; D97-K135 PolarHBondContact OD1-NZ 3.41Å; D97-K135 WeakPolarHBondContact OD2-CD 3.45Å; D97-K135 IonicContact OD2-NZ 3.54Å; D97-K135 PolarHBondContact OD2-NZ 2.87Å
98F84.6Confident76.7Confident15 Ų1582.4 Ų82.47%0.06639%0.385CS..G310 helixtrans-94.7-2.1-179.8-53.4-87.1000112.6Y55 N58 K59 L66 K93 D95 S96 K100 C101 L132Y55-F98 AromaticContact CD2-CD1 3.89Å; Y55-F98 HydrophobicContact CD2-CD1 3.89Å; Y55-F98 HydrophobicContact CD2-CE1 4.47Å; Y55-F98 AromaticContact CE2-CD1 3.83Å; Y55-F98 HydrophobicContact CE2-CD1 3.83Å; N58-F98 HydrophobicContact CB-CE1 3.98Å; N58-F98 HydrophobicContact CB-CZ 3.92Å; K59-F98 HydrophobicContact CB-CD1 4.09Å; K59-F98 HydrophobicContact CB-CE1 3.86Å; K59-F98 HydrophobicContact CD-CB 4.32Å; K59-F98 HydrophobicContact CD-CD1 3.83Å; K59-F98 HydrophobicContact CD-CD2 4.4Å; K59-F98 HydrophobicContact CD-CE1 4.21Å; K59-F98 HydrophobicContact CD-CG 3.93Å; L66-F98 HydrophobicContact CD2-CZ 4.43Å; K93-F98 HydrophobicContact CD-CE2 4.21Å; K93-F98 HydrophobicContact CD-CZ 4.15Å; K93-F98 HydrophobicContact CG-CE2 3.76Å; K93-F98 HydrophobicContact CG-CZ 4.01Å; D95-F98 PolarHBondContact O-N 3.48Å; S96-F98 PolarHBondContact O-N 3.45Å; F98-K100 PolarHBondContact O-N 3.01Å; F98-C101 WeakPolarHBondContact O-CB 3.38Å; F98-C101 PolarHBondContact O-N 2.9Å; F98-L132 HydrophobicContact CD1-CD2 4.03Å; F98-L132 HydrophobicContact CE1-CD1 4.21Å; F98-L132 HydrophobicContact CE1-CD2 3.78Å; F98-L132 HydrophobicContact CZ-CD1 4.37Å
99Y75.9Confident75.7Confident164 Ų16484.9 Ų84.964%0.64340%0.401SS*.THydrogen-bonded Turntrans-62.5132.5179.9-176.5-113.8000110.9S96 C101S96-Y99 WeakPolarHBondContact O-CB 3.39Å; S96-Y99 PolarHBondContact O-N 3.18Å; Y99-C101 PolarHBondContact O-N 2.77Å
100K70.1Confident75Confident163 Ų16387.2 Ų87.271%0.70941%0.413SS*.THydrogen-bonded Turntrans58.722.3-177.2-65177.8172.2-177.90115F98 S102F98-K100 PolarHBondContact O-N 3.01Å; K100-S102 PolarHBondContact O-N 2.8Å
101C76.1Confident74.4Confident23 Ų2388 Ų8816%0.15542%0.416CS..  trans-60.4101.8159.8-86.40000108.8Y55 F98 Y99 F103 C129Y55-C101 HydrophobicContact CD2-CB 4.23Å; Y55-C101 HydrophobicContact CE2-CB 3.76Å; F98-C101 WeakPolarHBondContact O-CB 3.38Å; F98-C101 PolarHBondContact O-N 2.9Å; Y99-C101 PolarHBondContact O-N 2.77Å; C101-F103 PolarHBondContact O-N 2.81Å; C101-C129 HydrophobicContact CB-CB 4.37Å; C101-C129 WeakPolarHBondContact CB-SG 3.49Å; C101-C129 WeakPolarHBondContact SG-CB 3.33Å; C101-C129 CovalentContact SG-SG 2.05Å; C101-C129 PolarHBondContact SG-SG 2.78Å
102S63.9Low73.5Confident63 Ų6392.4 Ų92.444%0.44143%0.429SS..BIsolated β-bridgetrans-83112.317269.10000108.2K100 R128K100-S102 PolarHBondContact O-N 2.8Å; S102-R128 WeakPolarHBondContact OG-CB 3.36Å
103F63.5Low72.8Confident28 Ų2887.1 Ų87.112%0.12342%0.416CS..  trans-123.3126.6163.7-162.9-109.1000104.5V52 C101 W105 I121 L123 V127V52-F103 HydrophobicContact CG1-CZ 4.43Å; V52-F103 HydrophobicContact CG2-CE2 3.77Å; V52-F103 HydrophobicContact CG2-CZ 4.29Å; C101-F103 PolarHBondContact O-N 2.81Å; F103-W105 VanDerWaalsContact C-N 3.29Å; F103-W105 VanDerWaalsContact CB-CD1 3.49Å; F103-W105 AromaticContact CD1-CD1 3.33Å; F103-W105 HydrophobicContact CD1-CG 4.08Å; F103-W105 AromaticContact CD1-NE1 3.58Å; F103-W105 AromaticContact CG-CD1 3.84Å; F103-W105 AromaticContact CG-NE1 3.93Å; F103-W105 PolarHBondContact O-N 2.93Å; F103-I121 HydrophobicContact CE1-CG2 3.48Å; F103-I121 VanDerWaalsContact CE1-CG2 3.48Å; F103-I121 HydrophobicContact CZ-CG2 3.45Å; F103-I121 VanDerWaalsContact CZ-CG2 3.45Å; F103-L123 HydrophobicContact CE2-CD2 4.1Å; F103-L123 HydrophobicContact CZ-CD2 3.86Å; F103-V127 HydrophobicContact CD2-CG2 3.61Å; F103-V127 HydrophobicContact CE2-CG2 3.64Å
104Q52.8Low72Confident146 Ų14691 Ų9168%0.68245%0.447SS*.  trans-77.791.5170.3-89.9177.9-40.100106.1E106 P124Q104-E106 VanDerWaalsContact C-N 3.34Å; Q104-E106 PolarHBondContact O-N 2.91Å; Q104-P124 HydrophobicContact CB-CG 4.12Å
105W54.8Low71.1Confident133 Ų13389.1 Ų89.150%0.50445%0.447SS..  trans-72.691.9178.6-68.237.1000107.4Y60 F103 C108Y60-W105 WeakPolarHBondContact OH-CH2 3.42Å; F103-W105 VanDerWaalsContact C-N 3.29Å; F103-W105 VanDerWaalsContact CB-CD1 3.49Å; F103-W105 AromaticContact CD1-CD1 3.33Å; F103-W105 HydrophobicContact CD1-CG 4.08Å; F103-W105 AromaticContact CD1-NE1 3.58Å; F103-W105 AromaticContact CG-CD1 3.84Å; F103-W105 AromaticContact CG-NE1 3.93Å; F103-W105 PolarHBondContact O-N 2.93Å; W105-C108 HydrophobicContact CE3-CB 4.36Å
106E50.7Low70.9Confident125 Ų12584.7 Ų84.758%0.58443%0.425SS*.SBendtrans-76.8-47.9161.9-68.7-168169.200108.9Q104 P124Q104-E106 VanDerWaalsContact C-N 3.34Å; Q104-E106 PolarHBondContact O-N 2.91Å; E106-P124 HydrophobicContact CG-CG 4.48Å
107F56.3Low70.6Confident148 Ų14883.5 Ų83.565%0.64942%0.415SS*.  trans-151.4125.9175.8-69.4-83.8000112.8I121 T122F107-I121 WeakPolarHBondContact O-CA 3.43Å; F107-T122 PolarHBondContact O-N 3.49Å
108C67.1Low70.6Confident38 Ų3884.6 Ų84.626%0.25742%0.421SS..EExtended strand (participates in β ladder)trans-129.7123.2167.3-178.80000109.3W105 Y120 I121W105-C108 HydrophobicContact CE3-CB 4.36Å; C108-Y120 CarbonylContact C-O 3.56Å; C108-Y120 WeakPolarHBondContact CA-O 3.25Å; C108-I121 HydrophobicContact CB-CG1 4.02Å; C108-I121 VanDerWaalsContact SG-CG1 3.59Å
109N70Confident70.3Confident107 Ų10784.2 Ų84.257%0.57242%0.419SS*.EExtended strand (participates in β ladder)trans-118.6124.5174.2-169.4-20.4000109.5Y120N109-Y120 PolarHBondContact N-O 3.5Å; N109-Y120 PolarHBondContact O-N 3.18Å
110I76.9Confident70.2Confident48 Ų4880.8 Ų80.825%0.24641%0.406CS..EExtended strand (participates in β ladder)trans-116.6116.4-179.8-56.2173000107.8Y60 R112 T117 I118 Y119Y60-I110 HydrophobicContact CD1-CD1 3.73Å; Y60-I110 HydrophobicContact CD2-CD1 3.48Å; Y60-I110 VanDerWaalsContact CD2-CD1 3.48Å; Y60-I110 HydrophobicContact CE1-CD1 3.56Å; Y60-I110 HydrophobicContact CE2-CD1 3.31Å; Y60-I110 HydrophobicContact CG-CD1 3.68Å; I110-R112 HydrophobicContact CG2-CG 4.29Å; I110-T117 HydrophobicContact CG2-CG2 4.48Å; I110-I118 WeakPolarHBondContact CA-O 3.32Å; I110-Y119 HydrophobicContact CD1-CD1 4.35Å; I110-Y119 HydrophobicContact CG1-CD1 4.08Å; I110-Y119 HydrophobicContact CG2-CD1 4.28Å; I110-Y119 HydrophobicContact CG2-CE1 4.27Å
111K80.2Confident70.5Confident127 Ų12773 Ų7355%0.55237%0.372SS*.EExtended strand (participates in β ladder)trans-109.7120.7174-173.4177.4179.1-179.90109.2I118K111-I118 HydrophobicContact CB-CB 4.3Å; K111-I118 PolarHBondContact N-O 2.97Å; K111-I118 PolarHBondContact O-N 2.95Å
112R74.4Confident70.2Confident122 Ų12273.2 Ų73.246%0.4637%0.372SS..EExtended strand (participates in β ladder)trans-107.9120.5173.8-63.4-175.6-171.8-167.53.1109.1Y60 D62 I110 T117Y60-R112 PolarHBondContact O-NH2 2.73Å; D62-R112 IonicContact OD1-NH1 2.63Å; D62-R112 IonicContact OD2-NH1 3.48Å; I110-R112 HydrophobicContact CG2-CG 4.29Å; R112-T117 HydrophobicContact CG-CG2 4.26Å
113T76.3Confident70.4Confident61 Ų6171.3 Ų71.337%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-123.2156167.644.30000108.2G115 V116T113-G115 PolarHBondContact O-N 3.25Å; T113-V116 PolarHBondContact N-O 3.38Å; T113-V116 CarbonylContact O-C 3.58Å; T113-V116 PolarHBondContact O-N 2.71Å; T113-V116 PolarHBondContact OG1-O 3.23Å
114P75.9Confident69.8Low136 Ų13671.8 Ų71.888%0.88336%0.363SS*.THydrogen-bonded Turntrans-50.2121.3177.3-27.335.3000111.2V116P114-V116 VanDerWaalsContact C-N 3.32Å; P114-V116 PolarHBondContact O-N 2.86Å
115G69.5Low69.9Low41 Ų4167.2 Ų67.242%0.42336%0.355SS..THydrogen-bonded Turntrans79.1-3.6179.500000116.9T113 T175T113-G115 PolarHBondContact O-N 3.25Å; G115-T175 PolarHBondContact O-N 3.09Å
116V80.3Confident70Confident31 Ų3163.4 Ų63.419%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-139.3127.7-179.2-169.90000111.8T113 P114 I118 C173 Y174T113-V116 PolarHBondContact N-O 3.38Å; T113-V116 CarbonylContact O-C 3.58Å; T113-V116 PolarHBondContact O-N 2.71Å; T113-V116 PolarHBondContact OG1-O 3.23Å; P114-V116 VanDerWaalsContact C-N 3.32Å; P114-V116 PolarHBondContact O-N 2.86Å; V116-I118 HydrophobicContact CG1-CD1 4.49Å; V116-I118 HydrophobicContact CG1-CG1 4.01Å; V116-C173 WeakPolarHBondContact CA-O 3.5Å; V116-Y174 HydrophobicContact CB-CD1 4.45Å; V116-Y174 HydrophobicContact CB-CE1 4.37Å; V116-Y174 HydrophobicContact CG1-CD1 4.21Å; V116-Y174 HydrophobicContact CG1-CE1 3.82Å; V116-Y174 HydrophobicContact CG2-CD1 3.67Å; V116-Y174 HydrophobicContact CG2-CE1 3.63Å
117T80.6Confident70.6Confident30 Ų3058 Ų5818%0.18432%0.324CS..EExtended strand (participates in β ladder)trans-115.5126.5169.8-540000110.7I110 R112 Y119 N172 C173I110-T117 HydrophobicContact CG2-CG2 4.48Å; R112-T117 HydrophobicContact CG-CG2 4.26Å; T117-Y119 HydrophobicContact CG2-CD2 4.21Å; T117-Y119 HydrophobicContact CG2-CE1 3.99Å; T117-Y119 HydrophobicContact CG2-CE2 3.51Å; T117-Y119 WeakPolarHBondContact CG2-OH 3.37Å; T117-N172 WeakPolarHBondContact O-CA 3.2Å; T117-C173 PolarHBondContact N-O 3.46Å; T117-C173 PolarHBondContact O-N 3.41Å
118I82.3Confident71.4Confident28 Ų2858.8 Ų58.814%0.14432%0.323CS..EExtended strand (participates in β ladder)trans-114.3127.5179.7-53.3175.7000109.2I110 K111 V116 R170 F171 N172I110-I118 WeakPolarHBondContact CA-O 3.32Å; K111-I118 HydrophobicContact CB-CB 4.3Å; K111-I118 PolarHBondContact N-O 2.97Å; K111-I118 PolarHBondContact O-N 2.95Å; V116-I118 HydrophobicContact CG1-CD1 4.49Å; V116-I118 HydrophobicContact CG1-CG1 4.01Å; I118-R170 HydrophobicContact CG2-CG 4.11Å; I118-F171 CarbonylContact C-O 3.57Å; I118-F171 VanDerWaalsContact CA-O 3.25Å; I118-F171 WeakPolarHBondContact CA-O 3.5Å; I118-N172 WeakPolarHBondContact CG1-OD1 3.37Å; I118-N172 WeakPolarHBondContact CG2-OD1 3.38Å
119Y77.9Confident72.1Confident7 Ų757.2 Ų57.23%0.02731%0.312CS..EExtended strand (participates in β ladder)trans-115.4118.4173.1-51.6-91.5000108.6L56 Y60 I110 T117 R170 F171L56-Y119 HydrophobicContact CB-CD1 4.08Å; L56-Y119 HydrophobicContact CB-CE1 4.27Å; Y60-Y119 HydrophobicContact CD2-CE1 4.07Å; Y60-Y119 HydrophobicContact CG-CE1 4.41Å; I110-Y119 HydrophobicContact CD1-CD1 4.35Å; I110-Y119 HydrophobicContact CG1-CD1 4.08Å; I110-Y119 HydrophobicContact CG2-CD1 4.28Å; I110-Y119 HydrophobicContact CG2-CE1 4.27Å; T117-Y119 HydrophobicContact CG2-CD2 4.21Å; T117-Y119 HydrophobicContact CG2-CE1 3.99Å; T117-Y119 HydrophobicContact CG2-CE2 3.51Å; T117-Y119 WeakPolarHBondContact CG2-OH 3.37Å; Y119-R170 CarbonylContact O-C 3.6Å; Y119-R170 VanDerWaalsContact O-CA 3.26Å; Y119-R170 WeakPolarHBondContact O-CA 3.34Å; Y119-F171 HydrophobicContact CD2-CB 3.96Å; Y119-F171 PolarHBondContact N-O 3.37Å; Y119-F171 PolarHBondContact O-N 2.95Å
120Y75.4Confident72.8Confident92 Ų9262.1 Ų62.136%0.36132%0.323SS..EExtended strand (participates in β ladder)trans-117.5122.3174.8-178.5-94.8000110.1C108 N109 Y158 S168 R170C108-Y120 CarbonylContact C-O 3.56Å; C108-Y120 WeakPolarHBondContact CA-O 3.25Å; N109-Y120 PolarHBondContact N-O 3.5Å; N109-Y120 PolarHBondContact O-N 3.18Å; Y120-Y158 HydrophobicContact CE2-CD2 4.31Å; Y120-Y158 HydrophobicContact CE2-CE2 4.18Å; Y120-S168 PolarHBondContact OH-OG 3.02Å; Y120-S168 VanDerWaalsContact OH-OG 3.04Å; Y120-R170 HydrophobicContact CD2-CB 4.07Å; Y120-R170 HydrophobicContact CD2-CG 4.47Å
121I74.9Confident73.3Confident0 Ų064.8 Ų64.80%033%0.332CS..EExtended strand (participates in β ladder)trans-140129.4-169.4-71.1164.8000111.4V52 L56 F103 F107 C108 L123 S168 V169V52-I121 HydrophobicContact CG1-CD1 4.29Å; L56-I121 HydrophobicContact CD1-CD1 2.97Å; L56-I121 HydrophobicContact CD1-CG1 4.43Å; L56-I121 HydrophobicContact CD2-CD1 3.38Å; L56-I121 HydrophobicContact CG-CD1 3.7Å; F103-I121 HydrophobicContact CE1-CG2 3.48Å; F103-I121 VanDerWaalsContact CE1-CG2 3.48Å; F103-I121 HydrophobicContact CZ-CG2 3.45Å; F103-I121 VanDerWaalsContact CZ-CG2 3.45Å; F107-I121 WeakPolarHBondContact O-CA 3.43Å; C108-I121 HydrophobicContact CB-CG1 4.02Å; C108-I121 VanDerWaalsContact SG-CG1 3.59Å; I121-L123 HydrophobicContact CG2-CD2 4.45Å; I121-S168 CarbonylContact O-C 3.59Å; I121-S168 WeakPolarHBondContact O-CA 3.08Å; I121-S168 WeakPolarHBondContact O-CB 3.42Å; I121-V169 HydrophobicContact CB-CG1 4.42Å; I121-V169 PolarHBondContact N-O 2.97Å; I121-V169 PolarHBondContact O-N 3.37Å
122T71.3Confident73.8Confident26 Ų2658.8 Ų58.816%0.1631%0.306CS..EExtended strand (participates in β ladder)trans-80.3127.7165.3-55.40000108.9F107 R167F107-T122 PolarHBondContact O-N 3.49Å; T122-R167 WeakPolarHBondContact CA-O 3.42Å; T122-R167 WeakPolarHBondContact CG2-O 3.48Å
123L67.6Low74.5Confident23 Ų2354.2 Ų54.212%0.1229%0.291CS..  trans-91.2134.3175.6-67168.1000108.4V52 F103 I121 I166 R167 V169V52-L123 HydrophobicContact CG2-CD2 3.79Å; F103-L123 HydrophobicContact CE2-CD2 4.1Å; F103-L123 HydrophobicContact CZ-CD2 3.86Å; I121-L123 HydrophobicContact CG2-CD2 4.45Å; L123-I166 HydrophobicContact CD1-CB 3.68Å; L123-I166 HydrophobicContact CD1-CD1 4.3Å; L123-I166 HydrophobicContact CD1-CG2 3.53Å; L123-R167 PolarHBondContact N-O 3.42Å; L123-V169 HydrophobicContact CD1-CG1 4.46Å
124P51.2Low75.2Confident39 Ų3954.4 Ų54.425%0.25330%0.295SS..  -126.2118.3127.933.1-23.7000109.5Q104 E106Q104-P124 HydrophobicContact CB-CG 4.12Å; E106-P124 HydrophobicContact CG-CG 4.48Å
125G54.3Low76Confident49 Ų4950.4 Ų50.451%0.50526%0.263SS..SBendtrans81.5161.3161.400000117.7
126S56.2Low77.2Confident54 Ų5448.5 Ų48.538%0.37824%0.244SC..  trans-51.6135.6-172.163.80000113.5R128S126-R128 PolarHBondContact O-N 2.94Å
127V63.9Low77.7Confident11 Ų1152.6 Ų52.67%0.06727%0.268CS..  trans-68.7117.3167.3171.70000109.5D51 V52 F103 C129D51-V127 HydrophobicContact CB-CB 4.42Å; V52-V127 HydrophobicContact CB-CG2 4.05Å; V52-V127 HydrophobicContact CG2-CB 4.48Å; V52-V127 HydrophobicContact CG2-CG2 3.19Å; F103-V127 HydrophobicContact CD2-CG2 3.61Å; F103-V127 HydrophobicContact CE2-CG2 3.64Å; V127-C129 HydrophobicContact CG1-CB 3.59Å; V127-C129 WeakPolarHBondContact CG1-SG 3.44Å; V127-C129 PolarHBondContact O-N 3.4Å
128R73.6Confident78.2Confident164 Ų16457.1 Ų57.162%0.61929%0.291SS*.BIsolated β-bridgetrans-96.167.3171.9-54.9-179.2176.1-179.20.7110.4S102 S126S102-R128 WeakPolarHBondContact OG-CB 3.36Å; S126-R128 PolarHBondContact O-N 2.94Å
129C81.5Confident78.7Confident5 Ų556.1 Ų56.13%0.03429%0.287CS..  trans-103.648.3174.4-75.40000112Y55 C101 V127 K131 L132 L133Y55-C129 WeakPolarHBondContact CD2-SG 3.12Å; C101-C129 HydrophobicContact CB-CB 4.37Å; C101-C129 WeakPolarHBondContact CB-SG 3.49Å; C101-C129 WeakPolarHBondContact SG-CB 3.33Å; C101-C129 CovalentContact SG-SG 2.05Å; C101-C129 PolarHBondContact SG-SG 2.78Å; V127-C129 HydrophobicContact CG1-CB 3.59Å; V127-C129 WeakPolarHBondContact CG1-SG 3.44Å; V127-C129 PolarHBondContact O-N 3.4Å; C129-K131 PolarHBondContact O-N 3.2Å; C129-K131 VanDerWaalsContact O-N 3.09Å; C129-L132 HydrophobicContact CB-CB 4.36Å; C129-L132 PolarHBondContact O-N 3.18Å; C129-L133 HydrophobicContact CB-CD1 4.32Å; C129-L133 HydrophobicContact CB-CG 4.18Å; C129-L133 WeakPolarHBondContact O-CB 3.5Å; C129-L133 VanDerWaalsContact O-CG 3.26Å; C129-L133 WeakPolarHBondContact O-CG 3.45Å; C129-L133 PolarHBondContact O-N 3.21Å
130R84.3Confident79.4Confident211 Ų21159.3 Ų59.380%0.79631%0.309SS*.Hα-helixtrans-52-40-171-68.6-174.7-178176.70.3113.9S134R130-S134 WeakPolarHBondContact O-CB 3.48Å; R130-S134 PolarHBondContact O-N 2.92Å
131K87.6Confident80.1Confident104 Ų10458.6 Ų58.645%0.45231%0.307SS..Hα-helixtrans-66.3-53.4-178.7-174.1176.2171-172.10112S96 C129 S134 K135S96-K131 WeakPolarHBondContact O-CD 3.47Å; S96-K131 WeakPolarHBondContact O-CE 3.45Å; S96-K131 PolarHBondContact O-NZ 3.32Å; S96-K131 PolarHBondContact OG-NZ 3.12Å; C129-K131 PolarHBondContact O-N 3.2Å; C129-K131 VanDerWaalsContact O-N 3.09Å; K131-S134 PolarHBondContact O-N 2.77Å; K131-K135 WeakPolarHBondContact O-CB 3.06Å; K131-K135 PolarHBondContact O-N 3.33Å
132L90.3Very high80.6Confident0 Ų062.1 Ų62.10%032%0.324CS..Hα-helixtrans-57.7-50.8175.3177.266.1000111Y55 L66 D97 F98 C129 S134 K135 L136Y55-L132 HydrophobicContact CD2-CD2 4.24Å; L66-L132 HydrophobicContact CD1-CD1 4.33Å; L66-L132 HydrophobicContact CD2-CD1 3.97Å; D97-L132 HydrophobicContact CB-CD1 4.27Å; D97-L132 PolarHBondContact O-N 3.05Å; F98-L132 HydrophobicContact CD1-CD2 4.03Å; F98-L132 HydrophobicContact CE1-CD1 4.21Å; F98-L132 HydrophobicContact CE1-CD2 3.78Å; F98-L132 HydrophobicContact CZ-CD1 4.37Å; C129-L132 HydrophobicContact CB-CB 4.36Å; C129-L132 PolarHBondContact O-N 3.18Å; L132-S134 PolarHBondContact O-N 2.97Å; L132-K135 WeakPolarHBondContact O-CB 3.27Å; L132-K135 PolarHBondContact O-N 3.04Å; L132-K135 VanDerWaalsContact O-N 3.15Å; L132-L136 HydrophobicContact CD1-CD1 4.19Å; L132-L136 HydrophobicContact CD1-CG 4.23Å; L132-L136 HydrophobicContact CG-CD1 4Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 2.98Å
133L90.4Very high80.6Confident26 Ų2668.3 Ų68.314%0.13635%0.351CS..Hα-helixtrans-62.1-43.2-176.5-63.7174.7000111.7D51 K54 C129 K135 L136 V137D51-L133 HydrophobicContact CB-CD1 3.95Å; D51-L133 HydrophobicContact CB-CD2 3.9Å; D51-L133 WeakPolarHBondContact OD1-CD2 3.3Å; D51-L133 WeakPolarHBondContact OD2-CD1 3.4Å; K54-L133 HydrophobicContact CB-CD2 4.33Å; K54-L133 HydrophobicContact CD-CD2 3.84Å; C129-L133 HydrophobicContact CB-CD1 4.32Å; C129-L133 HydrophobicContact CB-CG 4.18Å; C129-L133 WeakPolarHBondContact O-CB 3.5Å; C129-L133 VanDerWaalsContact O-CG 3.26Å; C129-L133 WeakPolarHBondContact O-CG 3.45Å; C129-L133 PolarHBondContact O-N 3.21Å; L133-K135 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 2.95Å; L133-L136 PolarHBondContact O-N 3.31Å; L133-V137 WeakPolarHBondContact O-CG2 3.11Å; L133-V137 PolarHBondContact O-N 3.34Å; L133-V137 VanDerWaalsContact O-N 3.15Å
134S90.8Very high80.4Confident66 Ų6670.8 Ų70.846%0.46236%0.362SS..Hα-helixtrans-63-40.1174.8176.90000112.2R130 K131 L132 V137 N138R130-S134 WeakPolarHBondContact O-CB 3.48Å; R130-S134 PolarHBondContact O-N 2.92Å; K131-S134 PolarHBondContact O-N 2.77Å; L132-S134 PolarHBondContact O-N 2.97Å; S134-V137 PolarHBondContact O-N 3.15Å; S134-N138 PolarHBondContact O-N 3.41Å; S134-N138 PolarHBondContact O-ND2 3.49Å
135K92.8Very high81Confident51 Ų5172.9 Ų72.922%0.22237%0.374CS..Hα-helixtrans-64.4-41.9176.7-172.8173.3175.5-175.80111.8L66 R92 D97 K131 L132 L133 V137 N138 C139L66-K135 HydrophobicContact CD1-CD 3.8Å; L66-K135 HydrophobicContact CD1-CG 4.11Å; R92-K135 PolarHBondContact O-NZ 3Å; D97-K135 WeakPolarHBondContact OD1-CD 3.12Å; D97-K135 IonicContact OD1-NZ 2.66Å; D97-K135 PolarHBondContact OD1-NZ 3.41Å; D97-K135 WeakPolarHBondContact OD2-CD 3.45Å; D97-K135 IonicContact OD2-NZ 3.54Å; D97-K135 PolarHBondContact OD2-NZ 2.87Å; K131-K135 WeakPolarHBondContact O-CB 3.06Å; K131-K135 PolarHBondContact O-N 3.33Å; L132-K135 WeakPolarHBondContact O-CB 3.27Å; L132-K135 PolarHBondContact O-N 3.04Å; L132-K135 VanDerWaalsContact O-N 3.15Å; L133-K135 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 2.95Å; K135-V137 VanDerWaalsContact C-N 3.33Å; K135-V137 PolarHBondContact O-N 3.16Å; K135-N138 PolarHBondContact O-N 3.07Å; K135-C139 VanDerWaalsContact O-CB 3.32Å; K135-C139 WeakPolarHBondContact O-CB 3.47Å; K135-C139 PolarHBondContact O-N 2.92Å
136L93.3Very high81Confident2 Ų280.6 Ų80.61%0.0140%0.397CS..Hα-helixtrans-64.4-35.2178.5-71.7174.1000112.8K54 L66 S67 N68 L132 L133 N138 C139K54-L136 HydrophobicContact CB-CD1 3.79Å; K54-L136 HydrophobicContact CD-CD1 3.96Å; K54-L136 HydrophobicContact CG-CD1 4.04Å; L66-L136 HydrophobicContact CB-CD2 3.89Å; L66-L136 HydrophobicContact CD1-CD2 4.17Å; S67-L136 WeakPolarHBondContact O-CD2 3.44Å; N68-L136 HydrophobicContact CB-CD2 4.16Å; N68-L136 PolarHBondContact ND2-O 3.09Å; N68-L136 VanDerWaalsContact ND2-O 3.12Å; L132-L136 HydrophobicContact CD1-CD1 4.19Å; L132-L136 HydrophobicContact CD1-CG 4.23Å; L132-L136 HydrophobicContact CG-CD1 4Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 2.98Å; L133-L136 PolarHBondContact O-N 3.31Å; L136-N138 VanDerWaalsContact C-N 3.34Å; L136-C139 PolarHBondContact O-N 3.39Å
137V91.4Very high80.9Confident116 Ų11686.5 Ų86.570%0.70342%0.419SS*.Hα-helixtrans-64.7-39.7176.1170.50000111.6L133 S134 K135L133-V137 WeakPolarHBondContact O-CG2 3.11Å; L133-V137 PolarHBondContact O-N 3.34Å; L133-V137 VanDerWaalsContact O-N 3.15Å; S134-V137 PolarHBondContact O-N 3.15Å; K135-V137 VanDerWaalsContact C-N 3.33Å; K135-V137 PolarHBondContact O-N 3.16Å
138N92.1Very high80.7Confident125 Ų12586.9 Ų86.967%0.66842%0.42SS*.Hα-helixtrans-88.9-5.3-177-65.1-36.1000113.3S134 K135 L136S134-N138 PolarHBondContact O-N 3.41Å; S134-N138 PolarHBondContact O-ND2 3.49Å; K135-N138 PolarHBondContact O-N 3.07Å; L136-N138 VanDerWaalsContact C-N 3.34Å
139C92.3Very high80.3Confident8 Ų885.1 Ų85.15%0.05442%0.417CS..PPolyproline II helixtrans-89.6120.9-175-162.10000111.9T89 C91 K135 L136T89-C139 WeakPolarHBondContact CB-SG 3.48Å; T89-C139 HydrophobicContact CG2-CB 4.42Å; T89-C139 PolarHBondContact OG1-SG 3.12Å; C91-C139 VanDerWaalsContact CA-SG 3.52Å; C91-C139 HydrophobicContact CB-CB 3.97Å; C91-C139 WeakPolarHBondContact CB-SG 3.38Å; C91-C139 PolarHBondContact N-SG 2.84Å; C91-C139 WeakPolarHBondContact SG-CB 3.44Å; C91-C139 CovalentContact SG-SG 2.01Å; C91-C139 PolarHBondContact SG-SG 2.86Å; K135-C139 VanDerWaalsContact O-CB 3.32Å; K135-C139 WeakPolarHBondContact O-CB 3.47Å; K135-C139 PolarHBondContact O-N 2.92Å; L136-C139 PolarHBondContact O-N 3.39Å
140P92.3Very high80Confident74 Ų7491.4 Ų91.448%0.48144%0.44SS..PPolyproline II helixtrans-68.2142.5177.228-33.7000110.9T89 K90T89-P140 CarbonylContact C-O 3.58Å; T89-P140 WeakPolarHBondContact CA-O 3.34Å; T89-P140 WeakPolarHBondContact CB-O 3.48Å; K90-P140 HydrophobicContact CB-CG 4.19Å; K90-P140 HydrophobicContact CD-CG 4.05Å; K90-P140 HydrophobicContact CG-CG 4.26Å; K90-P140 PolarHBondContact N-O 2.95Å
141F90.2Very high80.1Confident77 Ų7782.4 Ų82.434%0.33841%0.407SS..BIsolated β-bridgetrans-62.1149.6167.7-66.6-71.3000110.8N68 K70 V87 T89 K90N68-F141 HydrophobicContact CB-CE1 3.86Å; N68-F141 HydrophobicContact CB-CZ 4.16Å; K70-F141 HydrophobicContact CB-CE1 4.27Å; K70-F141 HydrophobicContact CB-CZ 4.15Å; V87-F141 HydrophobicContact CB-CD1 3.87Å; V87-F141 HydrophobicContact CB-CE1 4.1Å; V87-F141 HydrophobicContact CG1-CD1 3.97Å; T89-F141 HydrophobicContact CG2-CD1 4.16Å; T89-F141 HydrophobicContact CG2-CE1 4.36Å; K90-F141 WeakPolarHBondContact CE-O 3.45Å
142E84.3Confident80.2Confident74 Ų7479 Ų7935%0.34639%0.393SS..PPolyproline II helixtrans-71.6144.1170.6-156.7171-17000110K88 Q144 L148K88-E142 PolarHBondContact O-N 2.89Å; E142-Q144 PolarHBondContact O-N 2.92Å; E142-L148 HydrophobicContact CB-CD1 3.9Å; E142-L148 HydrophobicContact CB-CD2 3.98Å; E142-L148 HydrophobicContact CG-CD1 3.97Å
143E73Confident80.2Confident156 Ų15679 Ų7973%0.72939%0.393SS*.PPolyproline II helixtrans-64.8121.5-179.1-88.1175.1-173.700109.9T145 L148E143-T145 PolarHBondContact O-N 2.9Å; E143-L148 WeakPolarHBondContact O-CD1 3.19Å
144Q63.2Low80.3Confident75 Ų7582.8 Ų82.835%0.3541%0.407SS..  trans-64.392.6-172.5-67.2-164.9-18.800112.5K70 E142K70-Q144 VanDerWaalsContact NZ-CD 3.34Å; E142-Q144 PolarHBondContact O-N 2.92Å
145T62.3Low80.3Confident83 Ų8379.8 Ų79.851%0.50939%0.385SS..  trans-83.716116060.50000109.5E143 Q147 L148E143-T145 PolarHBondContact O-N 2.9Å; T145-Q147 PolarHBondContact O-N 3.44Å; T145-L148 WeakPolarHBondContact O-CB 3.34Å; T145-L148 PolarHBondContact O-N 2.9Å
146E54.8Low80.2Confident211 Ų21179.3 Ų79.399%0.98638%0.384SS*.THydrogen-bonded Turntrans-57.2-17.9173.5-73.2-155.8151.800113.3
147Q53.7Low79.8Confident178 Ų17879.4 Ų79.483%0.83238%0.384SS*.THydrogen-bonded Turntrans-80-14175.1-76.6179.4-2200114.3T145 K149T145-Q147 PolarHBondContact O-N 3.44Å; Q147-K149 PolarHBondContact O-N 3.49Å
148L61.6Low79.3Confident19 Ų1976.5 Ų76.510%0.09936%0.361CS..SBendtrans-73.996.1175.6-100.5140000109.6V87 K88 E142 E143 T145 R150V87-L148 HydrophobicContact CG1-CD2 4.29Å; K88-L148 HydrophobicContact CB-CD2 3.89Å; K88-L148 HydrophobicContact CG-CD2 4.31Å; E142-L148 HydrophobicContact CB-CD1 3.9Å; E142-L148 HydrophobicContact CB-CD2 3.98Å; E142-L148 HydrophobicContact CG-CD1 3.97Å; E143-L148 WeakPolarHBondContact O-CD1 3.19Å; T145-L148 WeakPolarHBondContact O-CB 3.34Å; T145-L148 PolarHBondContact O-N 2.9Å; L148-R150 PolarHBondContact O-N 3.49Å
149K64.2Low78.5Confident127 Ų12771.2 Ų71.255%0.55233%0.334SS*.  trans-49.7102169.7-82.8-173.2172.1-175.80109.6Q147Q147-K149 PolarHBondContact O-N 3.49Å
150R75.1Confident77.5Confident137 Ų13772.1 Ų72.152%0.51734%0.338SS..PPolyproline II helixtrans-76.2118.7164.1-62.4-175.2-170.9168.21.7106.5L148L148-R150 PolarHBondContact O-N 3.49Å
151E86.2Confident76.4Confident21 Ų2172 Ų7210%0.09833%0.328CS..EExtended strand (participates in β ladder)trans-103.9127.4176.6-166.9168.6171.200109Y57 V86 C173 Y174 T175Y57-E151 WeakPolarHBondContact CE2-OE2 3.3Å; Y57-E151 PolarHBondContact OH-OE2 3.33Å; V86-E151 HydrophobicContact CB-CB 4.37Å; V86-E151 PolarHBondContact N-O 2.9Å; V86-E151 PolarHBondContact O-N 3.16Å; E151-C173 HydrophobicContact CG-CB 4.34Å; E151-C173 WeakPolarHBondContact OE1-CB 3.46Å; E151-Y174 WeakPolarHBondContact CG-O 3.45Å; E151-T175 HydrophobicContact CG-CG2 4.44Å
152I89.3Confident75.3Confident33 Ų3375.9 Ų75.917%0.16935%0.351CS..EExtended strand (participates in β ladder)trans-100.7122.2175.5-56.9-59.3000107.8E83 E85 Y154 Y174E83-I152 HydrophobicContact CG-CG2 3.52Å; E85-I152 HydrophobicContact CB-CD1 4.14Å; E85-I152 HydrophobicContact CG-CD1 4.1Å; I152-Y154 HydrophobicContact CG2-CD2 4.37Å; I152-Y154 HydrophobicContact CG2-CE1 4.34Å; I152-Y154 HydrophobicContact CG2-CE2 3.73Å; I152-Y174 PolarHBondContact O-N 3.01Å
153C91.6Very high74.5Confident0 Ų079.1 Ų79.10%037%0.366CS..EExtended strand (participates in β ladder)trans-112.3122.4176-63.60000109.9F53 E83 I84 N172 C173F53-C153 HydrophobicContact CE2-CB 3.85Å; F53-C153 HydrophobicContact CZ-CB 3.95Å; F53-C153 VanDerWaalsContact CZ-SG 3.51Å; E83-C153 CarbonylContact C-O 3.49Å; E83-C153 WeakPolarHBondContact CA-O 3.34Å; I84-C153 HydrophobicContact CB-CB 4.28Å; I84-C153 PolarHBondContact N-O 2.91Å; I84-C153 PolarHBondContact O-N 3.43Å; C153-N172 CarbonylContact C-O 3.56Å; C153-N172 WeakPolarHBondContact CA-O 3.34Å; C153-C173 HydrophobicContact CB-CB 4.06Å; C153-C173 WeakPolarHBondContact CB-SG 3.45Å; C153-C173 WeakPolarHBondContact SG-CB 3.39Å; C153-C173 CovalentContact SG-SG 2.04Å; C153-C173 PolarHBondContact SG-SG 3.11Å
154Y92.2Very high74.2Confident105 Ų10574.7 Ų74.741%0.41235%0.346SS..EExtended strand (participates in β ladder)trans-91.9142171.2-64-81.1000109.6G82 E83 I152 F171 N172 Y174G82-Y154 CarbonylContact O-C 3.6Å; G82-Y154 WeakPolarHBondContact O-CA 3.35Å; E83-Y154 HydrophobicContact CB-CD1 4.34Å; E83-Y154 HydrophobicContact CB-CE1 4.27Å; E83-Y154 HydrophobicContact CG-CD1 4.2Å; E83-Y154 HydrophobicContact CG-CE1 3.84Å; E83-Y154 WeakPolarHBondContact OE2-CE1 3.24Å; E83-Y154 PolarHBondContact OE2-OH 3.41Å; E83-Y154 VanDerWaalsContact OE2-OH 3.05Å; I152-Y154 HydrophobicContact CG2-CD2 4.37Å; I152-Y154 HydrophobicContact CG2-CE1 4.34Å; I152-Y154 HydrophobicContact CG2-CE2 3.73Å; Y154-F171 CarbonylContact O-C 3.55Å; Y154-F171 WeakPolarHBondContact O-CA 3.48Å; Y154-N172 PolarHBondContact N-O 3.36Å; Y154-N172 PolarHBondContact O-N 2.97Å; Y154-Y174 AromaticContact CD2-CD2 3.85Å; Y154-Y174 HydrophobicContact CD2-CD2 3.85Å; Y154-Y174 AromaticContact CD2-CE2 3.71Å; Y154-Y174 HydrophobicContact CD2-CE2 3.71Å; Y154-Y174 HydrophobicContact CE2-CD2 4.13Å; Y154-Y174 HydrophobicContact CE2-CE2 4.28Å
155F91.2Very high74.5Confident4 Ų473.7 Ų73.72%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-130.3149172.871.5-88.8000113.3L46 V49 Y50 F74 F81 G82 I84 L157 V169 R170 F171L46-F155 HydrophobicContact CD1-CE2 4.23Å; L46-F155 HydrophobicContact CD1-CZ 4.21Å; V49-F155 HydrophobicContact CG1-CD2 4.29Å; V49-F155 HydrophobicContact CG1-CE2 4.26Å; Y50-F155 AromaticContact CE1-CE1 3.93Å; Y50-F155 HydrophobicContact CE1-CE1 3.93Å; Y50-F155 AromaticContact CE1-CZ 3.97Å; Y50-F155 HydrophobicContact CE1-CZ 3.97Å; F74-F155 AromaticContact CD2-CE2 3.78Å; F74-F155 HydrophobicContact CD2-CE2 3.78Å; F74-F155 AromaticContact CD2-CZ 3.73Å; F74-F155 HydrophobicContact CD2-CZ 3.73Å; F74-F155 HydrophobicContact CE2-CE2 4.06Å; F74-F155 HydrophobicContact CE2-CZ 4.47Å; F81-F155 CarbonylContact C-O 3.49Å; F81-F155 WeakPolarHBondContact CA-O 3.31Å; G82-F155 VanDerWaalsContact C-CD1 3.5Å; G82-F155 VanDerWaalsContact C-CE1 3.48Å; G82-F155 PolarHBondContact N-O 2.9Å; G82-F155 WeakPolarHBondContact O-CD1 3.41Å; G82-F155 PolarHBondContact O-N 2.87Å; I84-F155 HydrophobicContact CD1-CD1 3.73Å; I84-F155 HydrophobicContact CD1-CE1 3.92Å; I84-F155 HydrophobicContact CG1-CD1 3.83Å; I84-F155 HydrophobicContact CG1-CE1 3.78Å; F155-L157 HydrophobicContact CD2-CD2 3.87Å; F155-L157 HydrophobicContact CD2-CG 4.17Å; F155-L157 HydrophobicContact CE2-CD1 4.44Å; F155-L157 HydrophobicContact CE2-CD2 4.05Å; F155-L157 HydrophobicContact CE2-CG 4.13Å; F155-V169 HydrophobicContact CB-CG2 4.31Å; F155-V169 HydrophobicContact CD2-CG2 4.44Å; F155-R170 CarbonylContact C-O 3.6Å; F155-R170 WeakPolarHBondContact CA-O 3.38Å; F155-R170 WeakPolarHBondContact CB-O 3.26Å; F155-F171 HydrophobicContact CB-CD1 3.38Å; F155-F171 HydrophobicContact CB-CE1 3.63Å; F155-F171 HydrophobicContact CB-CG 4.21Å; F155-F171 HydrophobicContact CD1-CE1 4.4Å; F155-F171 HydrophobicContact CG-CD1 4.2Å; F155-F171 HydrophobicContact CG-CE1 4.01Å
156Q89.4Confident75.1Confident40 Ų4070 Ų7019%0.18732%0.32CS..EExtended strand (participates in β ladder)trans-126.1130.6175.1-176.9174.45.700109.4G80 F81 Y158 V169 R170G80-Q156 CarbonylContact O-C 3.59Å; G80-Q156 WeakPolarHBondContact O-CA 3.44Å; F81-Q156 HydrophobicContact CD1-CB 4.07Å; F81-Q156 HydrophobicContact CD1-CG 3.97Å; F81-Q156 HydrophobicContact CE1-CB 4.07Å; F81-Q156 VanDerWaalsContact CE1-CD 3.45Å; F81-Q156 HydrophobicContact CE1-CG 3.59Å; F81-Q156 HydrophobicContact CZ-CG 4.26Å; Q156-Y158 HydrophobicContact CB-CE2 4.39Å; Q156-Y158 HydrophobicContact CG-CE2 4.14Å; Q156-Y158 PolarHBondContact OE1-OH 2.98Å; Q156-Y158 VanDerWaalsContact OE1-OH 3.12Å; Q156-V169 WeakPolarHBondContact O-CA 3.28Å; Q156-R170 PolarHBondContact N-O 3.18Å; Q156-R170 PolarHBondContact O-N 3.44Å
157L86.1Confident76.1Confident5 Ų567.3 Ų67.33%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-94.8135.3175.3-55.3-175.8000110F40 L46 V49 F74 G80 F155 I166 V169F40-L157 HydrophobicContact CE1-CD1 4.01Å; F40-L157 HydrophobicContact CE2-CD1 4.26Å; F40-L157 HydrophobicContact CZ-CD1 3.44Å; F40-L157 VanDerWaalsContact CZ-CD1 3.44Å; L46-L157 HydrophobicContact CD1-CD1 4.46Å; V49-L157 HydrophobicContact CG1-CD2 4.07Å; V49-L157 HydrophobicContact CG2-CD2 3.97Å; F74-L157 HydrophobicContact CE2-CD1 3.63Å; F74-L157 HydrophobicContact CE2-CG 4.3Å; F74-L157 HydrophobicContact CZ-CD1 3.89Å; G80-L157 PolarHBondContact O-N 3.41Å; F155-L157 HydrophobicContact CD2-CD2 3.87Å; F155-L157 HydrophobicContact CD2-CG 4.17Å; F155-L157 HydrophobicContact CE2-CD1 4.44Å; F155-L157 HydrophobicContact CE2-CD2 4.05Å; F155-L157 HydrophobicContact CE2-CG 4.13Å; L157-I166 HydrophobicContact CD1-CD1 4.33Å; L157-I166 HydrophobicContact CD2-CD1 4.45Å; L157-I166 HydrophobicContact CD2-CG2 4.34Å; L157-V169 HydrophobicContact CD2-CB 4Å; L157-V169 HydrophobicContact CD2-CG2 3.71Å
158Y79.9Confident77.4Confident54 Ų5459 Ų5921%0.21226%0.262CS..EExtended strand (participates in β ladder)trans-111.7103.8171.5-60.8-88.9000108W79 Y120 Q156 R167 S168 R170W79-Y158 HydrophobicContact CE3-CD1 4.12Å; W79-Y158 HydrophobicContact CH2-CD1 4.49Å; W79-Y158 AromaticContact CZ3-CD1 3.66Å; W79-Y158 HydrophobicContact CZ3-CD1 3.66Å; W79-Y158 HydrophobicContact CZ3-CE1 4.24Å; Y120-Y158 HydrophobicContact CE2-CD2 4.31Å; Y120-Y158 HydrophobicContact CE2-CE2 4.18Å; Q156-Y158 HydrophobicContact CB-CE2 4.39Å; Q156-Y158 HydrophobicContact CG-CE2 4.14Å; Q156-Y158 PolarHBondContact OE1-OH 2.98Å; Q156-Y158 VanDerWaalsContact OE1-OH 3.12Å; Y158-R167 WeakPolarHBondContact O-CB 3.4Å; Y158-R167 PolarHBondContact O-N 2.88Å; Y158-S168 VanDerWaalsContact CB-OG 3.3Å; Y158-S168 WeakPolarHBondContact CB-OG 3.49Å; Y158-S168 PolarHBondContact N-O 3.5Å; Y158-S168 PolarHBondContact O-N 2.9Å; Y158-S168 VanDerWaalsContact O-N 3.12Å; Y158-R170 HydrophobicContact CE2-CB 3.91Å
159P74.7Confident78.5Confident14 Ų1458 Ų589%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-74.7151.7-178.332.5-37.4000111.9F36 Y161 N165F36-P159 HydrophobicContact CD1-CB 3.95Å; F36-P159 HydrophobicContact CD2-CB 3.87Å; F36-P159 HydrophobicContact CE1-CB 3.52Å; F36-P159 HydrophobicContact CE1-CG 4.4Å; F36-P159 HydrophobicContact CE2-CB 3.41Å; F36-P159 VanDerWaalsContact CE2-CB 3.41Å; F36-P159 HydrophobicContact CG-CB 4.14Å; F36-P159 HydrophobicContact CZ-CB 3.25Å; P159-Y161 HydrophobicContact CB-CD1 4.4Å; P159-Y161 HydrophobicContact CB-CE1 4.11Å; P159-Y161 HydrophobicContact CG-CD1 4.17Å; P159-Y161 HydrophobicContact CG-CD2 4.43Å; P159-Y161 HydrophobicContact CG-CE1 3.47Å; P159-Y161 VanDerWaalsContact CG-CE1 3.47Å; P159-Y161 HydrophobicContact CG-CE2 3.78Å; P159-Y161 WeakPolarHBondContact CG-OH 3.44Å; P159-N165 CarbonylContact C-O 3.59Å; P159-N165 WeakPolarHBondContact CA-O 3.48Å
160D73.3Confident79.7Confident28 Ų2856 Ų5615%0.1525%0.246CC..EExtended strand (participates in β ladder)trans-93.6109.6155.4-161.6-55.8000108.1I162 E163 Q164 N165 R167D160-I162 VanDerWaalsContact C-N 3.29Å; D160-I162 PolarHBondContact O-N 2.91Å; D160-I162 WeakPolarHBondContact OD1-CA 3.44Å; D160-I162 WeakPolarHBondContact OD1-CB 3.41Å; D160-I162 PolarHBondContact OD1-N 3.31Å; D160-E163 HydrophobicContact CB-CB 4.22Å; D160-E163 PolarHBondContact OD1-N 3.44Å; D160-Q164 VanDerWaalsContact O-CA 3.27Å; D160-Q164 WeakPolarHBondContact O-CA 3.37Å; D160-Q164 PolarHBondContact O-N 3.48Å; D160-N165 PolarHBondContact N-O 3.41Å; D160-N165 PolarHBondContact O-N 3.43Å; D160-R167 HydrophobicContact CB-CB 4.11Å
161Y67.9Low80.4Confident70 Ų7049.5 Ų49.528%0.27522%0.221SC..THydrogen-bonded Turntrans-75.5-18.6-178.1-59.7-73.9000112.9I33 F36 T78 P159I33-Y161 HydrophobicContact CB-CE1 4.37Å; I33-Y161 HydrophobicContact CG1-CD1 4.33Å; I33-Y161 HydrophobicContact CG1-CE1 3.73Å; F36-Y161 HydrophobicContact CB-CD1 3.83Å; F36-Y161 HydrophobicContact CB-CE1 4.24Å; F36-Y161 HydrophobicContact CD2-CD1 4.34Å; F36-Y161 HydrophobicContact CG-CD1 4.1Å; F36-Y161 HydrophobicContact CG-CE1 4.35Å; T78-Y161 PolarHBondContact O-OH 3.27Å; P159-Y161 HydrophobicContact CB-CD1 4.4Å; P159-Y161 HydrophobicContact CB-CE1 4.11Å; P159-Y161 HydrophobicContact CG-CD1 4.17Å; P159-Y161 HydrophobicContact CG-CD2 4.43Å; P159-Y161 HydrophobicContact CG-CE1 3.47Å; P159-Y161 VanDerWaalsContact CG-CE1 3.47Å; P159-Y161 HydrophobicContact CG-CE2 3.78Å; P159-Y161 WeakPolarHBondContact CG-OH 3.44Å
162I66.6Low80.6Confident159 Ų15949.5 Ų49.582%0.81522%0.222SC*.THydrogen-bonded Turntrans-82.8-49.8178.9-59176.1000109.1D160 Q164D160-I162 VanDerWaalsContact C-N 3.29Å; D160-I162 PolarHBondContact O-N 2.91Å; D160-I162 WeakPolarHBondContact OD1-CA 3.44Å; D160-I162 WeakPolarHBondContact OD1-CB 3.41Å; D160-I162 PolarHBondContact OD1-N 3.31Å; I162-Q164 VanDerWaalsContact C-N 3.29Å; I162-Q164 PolarHBondContact O-N 2.92Å
163E68.2Low80.6Confident143 Ų14348 Ų4867%0.66821%0.214SC*.THydrogen-bonded Turntrans-83.2-6.3179.7-61.9-172.9172.100113.6D160 N165D160-E163 HydrophobicContact CB-CB 4.22Å; D160-E163 PolarHBondContact OD1-N 3.44Å; E163-N165 HydrophobicContact CB-CB 4.4Å; E163-N165 PolarHBondContact O-N 3.24Å
164Q67.3Low80.1Confident63 Ų6352.8 Ų52.829%0.29423%0.233SC..THydrogen-bonded Turntrans53.143.2-176.4-56.2-178.7-400112.4M35 N39 K45 D160 I162M35-Q164 PolarHBondContact SD-NE2 2.97Å; N39-Q164 PolarHBondContact ND2-OE1 2.92Å; K45-Q164 PolarHBondContact NZ-O 2.8Å; D160-Q164 VanDerWaalsContact O-CA 3.27Å; D160-Q164 WeakPolarHBondContact O-CA 3.37Å; D160-Q164 PolarHBondContact O-N 3.48Å; I162-Q164 VanDerWaalsContact C-N 3.29Å; I162-Q164 PolarHBondContact O-N 2.92Å
165N69.4Low79Confident53 Ų5350.6 Ų50.628%0.28323%0.231SC..EExtended strand (participates in β ladder)trans-131.9167.4-177.1-153.610.9000113F36 K45 P159 D160 E163 R167F36-N165 VanDerWaalsContact CE2-O 3.32Å; F36-N165 WeakPolarHBondContact CE2-O 3.48Å; K45-N165 PolarHBondContact NZ-OD1 3.34Å; P159-N165 CarbonylContact C-O 3.59Å; P159-N165 WeakPolarHBondContact CA-O 3.48Å; D160-N165 PolarHBondContact N-O 3.41Å; D160-N165 PolarHBondContact O-N 3.43Å; E163-N165 HydrophobicContact CB-CB 4.4Å; E163-N165 PolarHBondContact O-N 3.24Å; N165-R167 PolarHBondContact O-N 2.93Å
166I74.6Confident77.3Confident5 Ų561.2 Ų61.23%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-78.9116.6169.2-49.9174.8000107.3F40 V49 L123 L157 S168F40-I166 HydrophobicContact CD2-CG1 4.39Å; F40-I166 HydrophobicContact CE2-CD1 3.6Å; F40-I166 HydrophobicContact CE2-CG1 3.44Å; F40-I166 VanDerWaalsContact CE2-CG1 3.44Å; F40-I166 HydrophobicContact CZ-CD1 3.89Å; F40-I166 HydrophobicContact CZ-CG1 4.18Å; V49-I166 HydrophobicContact CG2-CD1 3.33Å; L123-I166 HydrophobicContact CD1-CB 3.68Å; L123-I166 HydrophobicContact CD1-CD1 4.3Å; L123-I166 HydrophobicContact CD1-CG2 3.53Å; L157-I166 HydrophobicContact CD1-CD1 4.33Å; L157-I166 HydrophobicContact CD2-CD1 4.45Å; L157-I166 HydrophobicContact CD2-CG2 4.34Å; I166-S168 WeakPolarHBondContact CG2-O 3.44Å
167R76.3Confident76.6Confident155 Ų15562.3 Ų62.359%0.58528%0.281SS*.EExtended strand (participates in β ladder)trans-77.1-46.2175-170.3172.2172.9174.4-0111.2T122 L123 Y158 D160 N165T122-R167 WeakPolarHBondContact CA-O 3.42Å; T122-R167 WeakPolarHBondContact CG2-O 3.48Å; L123-R167 PolarHBondContact N-O 3.42Å; Y158-R167 WeakPolarHBondContact O-CB 3.4Å; Y158-R167 PolarHBondContact O-N 2.88Å; D160-R167 HydrophobicContact CB-CB 4.11Å; N165-R167 PolarHBondContact O-N 2.93Å
168S79.4Confident76.2Confident3 Ų365.3 Ų65.32%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-152.3158.6179.763.20000112.5Y120 I121 Y158 I166Y120-S168 PolarHBondContact OH-OG 3.02Å; Y120-S168 VanDerWaalsContact OH-OG 3.04Å; I121-S168 CarbonylContact O-C 3.59Å; I121-S168 WeakPolarHBondContact O-CA 3.08Å; I121-S168 WeakPolarHBondContact O-CB 3.42Å; Y158-S168 VanDerWaalsContact CB-OG 3.3Å; Y158-S168 WeakPolarHBondContact CB-OG 3.49Å; Y158-S168 PolarHBondContact N-O 3.5Å; Y158-S168 PolarHBondContact O-N 2.9Å; Y158-S168 VanDerWaalsContact O-N 3.12Å; I166-S168 WeakPolarHBondContact CG2-O 3.44Å
169V85.7Confident75.9Confident0 Ų065.9 Ų65.90%030%0.299CS..EExtended strand (participates in β ladder)trans-127.7141.7172.758.70000109.9V49 I121 L123 F155 Q156 L157 F171V49-V169 HydrophobicContact CG1-CG2 4.11Å; I121-V169 HydrophobicContact CB-CG1 4.42Å; I121-V169 PolarHBondContact N-O 2.97Å; I121-V169 PolarHBondContact O-N 3.37Å; L123-V169 HydrophobicContact CD1-CG1 4.46Å; F155-V169 HydrophobicContact CB-CG2 4.31Å; F155-V169 HydrophobicContact CD2-CG2 4.44Å; Q156-V169 WeakPolarHBondContact O-CA 3.28Å; L157-V169 HydrophobicContact CD2-CB 4Å; L157-V169 HydrophobicContact CD2-CG2 3.71Å; V169-F171 HydrophobicContact CB-CE2 4.18Å; V169-F171 HydrophobicContact CB-CZ 4.4Å; V169-F171 HydrophobicContact CG1-CD2 4.29Å; V169-F171 HydrophobicContact CG1-CE2 3.49Å; V169-F171 VanDerWaalsContact CG1-CE2 3.49Å; V169-F171 HydrophobicContact CG1-CZ 3.99Å; V169-F171 HydrophobicContact CG2-CD1 4.46Å; V169-F171 HydrophobicContact CG2-CD2 4.05Å; V169-F171 HydrophobicContact CG2-CE1 3.98Å; V169-F171 HydrophobicContact CG2-CE2 3.57Å; V169-F171 HydrophobicContact CG2-CG 4.49Å; V169-F171 HydrophobicContact CG2-CZ 3.51Å
170R88.6Confident76Confident85 Ų8569 Ų6932%0.32131%0.312SS..EExtended strand (participates in β ladder)trans-115.6124.9169.9-177179.2170.6-178.4-2109.5I118 Y119 Y120 F155 Q156 Y158 N172I118-R170 HydrophobicContact CG2-CG 4.11Å; Y119-R170 CarbonylContact O-C 3.6Å; Y119-R170 VanDerWaalsContact O-CA 3.26Å; Y119-R170 WeakPolarHBondContact O-CA 3.34Å; Y120-R170 HydrophobicContact CD2-CB 4.07Å; Y120-R170 HydrophobicContact CD2-CG 4.47Å; F155-R170 CarbonylContact C-O 3.6Å; F155-R170 WeakPolarHBondContact CA-O 3.38Å; F155-R170 WeakPolarHBondContact CB-O 3.26Å; Q156-R170 PolarHBondContact N-O 3.18Å; Q156-R170 PolarHBondContact O-N 3.44Å; Y158-R170 HydrophobicContact CE2-CB 3.91Å; R170-N172 PolarHBondContact NE-OD1 3.07Å; R170-N172 PolarHBondContact NH2-OD1 2.91Å; R170-N172 VanDerWaalsContact NH2-OD1 3.15Å
171F90.6Very high76.2Confident0 Ų071.6 Ų71.60%032%0.322CS..EExtended strand (participates in β ladder)trans-106138.5168.9-56.8-85.9000109.7V49 V52 F53 L56 I84 I118 Y119 Y154 F155 V169V49-F171 HydrophobicContact CG1-CE1 4.07Å; V49-F171 HydrophobicContact CG1-CZ 3.73Å; V52-F171 HydrophobicContact CG1-CE2 4.2Å; F53-F171 HydrophobicContact CB-CD1 4.36Å; F53-F171 HydrophobicContact CB-CE1 3.69Å; F53-F171 HydrophobicContact CB-CE2 4.43Å; F53-F171 HydrophobicContact CB-CZ 3.72Å; F53-F171 HydrophobicContact CD2-CB 4.42Å; F53-F171 AromaticContact CD2-CD1 3.35Å; F53-F171 HydrophobicContact CD2-CD1 3.35Å; F53-F171 HydrophobicContact CD2-CD2 4.39Å; F53-F171 AromaticContact CD2-CE1 3.58Å; F53-F171 HydrophobicContact CD2-CE1 3.58Å; F53-F171 AromaticContact CD2-CG 3.82Å; F53-F171 HydrophobicContact CD2-CG 3.82Å; F53-F171 HydrophobicContact CD2-CZ 4.16Å; F53-F171 HydrophobicContact CE2-CD1 4.05Å; F53-F171 HydrophobicContact CE2-CG 4.41Å; F53-F171 HydrophobicContact CG-CD1 4.21Å; F53-F171 AromaticContact CG-CE1 3.98Å; F53-F171 HydrophobicContact CG-CE1 3.98Å; F53-F171 HydrophobicContact CG-CZ 4.42Å; L56-F171 HydrophobicContact CD1-CD2 4.37Å; L56-F171 HydrophobicContact CD1-CE2 4.19Å; I84-F171 HydrophobicContact CD1-CD1 4.45Å; I84-F171 HydrophobicContact CD1-CE1 4.14Å; I118-F171 CarbonylContact C-O 3.57Å; I118-F171 VanDerWaalsContact CA-O 3.25Å; I118-F171 WeakPolarHBondContact CA-O 3.5Å; Y119-F171 HydrophobicContact CD2-CB 3.96Å; Y119-F171 PolarHBondContact N-O 3.37Å; Y119-F171 PolarHBondContact O-N 2.95Å; Y154-F171 CarbonylContact O-C 3.55Å; Y154-F171 WeakPolarHBondContact O-CA 3.48Å; F155-F171 HydrophobicContact CB-CD1 3.38Å; F155-F171 HydrophobicContact CB-CE1 3.63Å; F155-F171 HydrophobicContact CB-CG 4.21Å; F155-F171 HydrophobicContact CD1-CE1 4.4Å; F155-F171 HydrophobicContact CG-CD1 4.2Å; F155-F171 HydrophobicContact CG-CE1 4.01Å; V169-F171 HydrophobicContact CB-CE2 4.18Å; V169-F171 HydrophobicContact CB-CZ 4.4Å; V169-F171 HydrophobicContact CG1-CD2 4.29Å; V169-F171 HydrophobicContact CG1-CE2 3.49Å; V169-F171 VanDerWaalsContact CG1-CE2 3.49Å; V169-F171 HydrophobicContact CG1-CZ 3.99Å; V169-F171 HydrophobicContact CG2-CD1 4.46Å; V169-F171 HydrophobicContact CG2-CD2 4.05Å; V169-F171 HydrophobicContact CG2-CE1 3.98Å; V169-F171 HydrophobicContact CG2-CE2 3.57Å; V169-F171 HydrophobicContact CG2-CG 4.49Å; V169-F171 HydrophobicContact CG2-CZ 3.51Å
172N90.8Very high76.7Confident21 Ų2171.7 Ų71.711%0.11233%0.325CS..EExtended strand (participates in β ladder)trans-127.6109.1171.8-53.8-66000108.1T117 I118 C153 Y154 R170 Y174T117-N172 WeakPolarHBondContact O-CA 3.2Å; I118-N172 WeakPolarHBondContact CG1-OD1 3.37Å; I118-N172 WeakPolarHBondContact CG2-OD1 3.38Å; C153-N172 CarbonylContact C-O 3.56Å; C153-N172 WeakPolarHBondContact CA-O 3.34Å; Y154-N172 PolarHBondContact N-O 3.36Å; Y154-N172 PolarHBondContact O-N 2.97Å; R170-N172 PolarHBondContact NE-OD1 3.07Å; R170-N172 PolarHBondContact NH2-OD1 2.91Å; R170-N172 VanDerWaalsContact NH2-OD1 3.15Å; N172-Y174 HydrophobicContact CB-CE2 3.9Å
173C89.1Confident77.5Confident0 Ų065.4 Ų65.40%029%0.29CS..EExtended strand (participates in β ladder)trans-104133.2-179.3-62.70000111.1V116 T117 E151 C153V116-C173 WeakPolarHBondContact CA-O 3.5Å; T117-C173 PolarHBondContact N-O 3.46Å; T117-C173 PolarHBondContact O-N 3.41Å; E151-C173 HydrophobicContact CG-CB 4.34Å; E151-C173 WeakPolarHBondContact OE1-CB 3.46Å; C153-C173 HydrophobicContact CB-CB 4.06Å; C153-C173 WeakPolarHBondContact CB-SG 3.45Å; C153-C173 WeakPolarHBondContact SG-CB 3.39Å; C153-C173 CovalentContact SG-SG 2.04Å; C153-C173 PolarHBondContact SG-SG 3.11Å
174Y81.3Confident78.2Confident101 Ų10159.5 Ų59.540%0.39626%0.261SS..EExtended strand (participates in β ladder)trans-120.1119.1-177.6-59.3-89.6000109.9V116 E151 I152 Y154 N172 K176V116-Y174 HydrophobicContact CB-CD1 4.45Å; V116-Y174 HydrophobicContact CB-CE1 4.37Å; V116-Y174 HydrophobicContact CG1-CD1 4.21Å; V116-Y174 HydrophobicContact CG1-CE1 3.82Å; V116-Y174 HydrophobicContact CG2-CD1 3.67Å; V116-Y174 HydrophobicContact CG2-CE1 3.63Å; E151-Y174 WeakPolarHBondContact CG-O 3.45Å; I152-Y174 PolarHBondContact O-N 3.01Å; Y154-Y174 AromaticContact CD2-CD2 3.85Å; Y154-Y174 HydrophobicContact CD2-CD2 3.85Å; Y154-Y174 AromaticContact CD2-CE2 3.71Å; Y154-Y174 HydrophobicContact CD2-CE2 3.71Å; Y154-Y174 HydrophobicContact CE2-CD2 4.13Å; Y154-Y174 HydrophobicContact CE2-CE2 4.28Å; N172-Y174 HydrophobicContact CB-CE2 3.9Å; Y174-K176 PolarHBondContact O-N 3.16Å
175T69Low79.1Confident59 Ų5959.2 Ų59.236%0.36226%0.258SS..EExtended strand (participates in β ladder)trans-78.3112.2168.3480000108.6G115 E151G115-T175 PolarHBondContact O-N 3.09Å; E151-T175 HydrophobicContact CG-CG2 4.44Å
176K54.1Low80Confident228 Ų22859.7 Ų59.799%0.99126%0.256SS*.  trans-72.10164-75.5-171.8178.7179.10110.7Y174Y174-K176 PolarHBondContact O-N 3.16Å

Retrieved 176 of 176 residues in 378.6 ms (Link to these results)

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