G4VLG2_SCHMA Loading...

Venom allergen-like (VAL) 19 protein

AlphaFold DB , UniProt , Accession G4VLG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M40.8Very low47.8Very low242 Ų242164.9 Ų164.9100%1.19283%0.83SS**  0139.10-77.4163.877.100109.2
2N40Very low48.4Very low147 Ų147166.7 Ų166.779%0.78683%0.829SS**  trans77.7132.6162.7-118.8-1.2000116.4
3K42.2Very low49.2Very low180 Ų180160.8 Ų160.878%0.78381%0.814SS**  cis-147.9131.421.2-73172.9177.7179.50111.2
4N39.1Very low49.7Very low160 Ų160159.1 Ų159.186%0.85681%0.807SS**  trans-94.7121.5159.4-82.9-25.2000108.4
5H48.2Very low50.2Low179 Ų179160.2 Ų160.283%0.82980%0.804SS**  trans176.2155.6151.5-123.2-79.6000112
6P50.7Low50.7Low102 Ų102155.6 Ų155.666%0.66279%0.787SS**  -119.7150.5-68.238-26.8000112
7L49.2Very low51.4Low162 Ų162152.1 Ų152.185%0.84878%0.779SS**  trans-117.247.7175-154.493.8000111.7
8H50.8Low52.1Low164 Ų164149.1 Ų149.176%0.75977%0.769SS**  trans-148.971.6178.9-73.2-73.2000112.7
9F52.8Low53Low207 Ų207143.9 Ų143.991%0.90875%0.747SS**SBendtrans-146.11.8159.3-109-75.6000116.2
10V55.3Low54.1Low126 Ų126141.6 Ų141.676%0.76474%0.736SS**SBendtrans-102.8-8.7-171-171.60000114.6
11I56.3Low55.3Low145 Ų145136.8 Ų136.874%0.74472%0.721SS**G310 helixtrans-84.6-15.2-171.7-59.9177.1000113.6S13I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.34Å
12F55.6Low57.1Low186 Ų186128.3 Ų128.382%0.81669%0.69SS**G310 helixtrans-73.7-20.7-174.1-132.5-93.5000114.5
13S58.1Low59Low91 Ų91128 Ų12864%0.63668%0.681SS**G310 helixtrans-84.5-13.4-171-56.60000115.2I11I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 3.34Å
14L56.2Low61Low137 Ų137126 Ų12672%0.71767%0.672SS**Hα-helixtrans-85.4-26.4-176.5-76164.6000113.8
15F57Low63.4Low175 Ų175122 Ų12277%0.76865%0.651SS**Hα-helixtrans-77.5-27.2-174.3-123.1-94.6000113.7T18F15-T18 PolarHBondContact O-OG1 3.33Å
16V58.3Low65.5Low86 Ų86116.6 Ų116.652%0.52163%0.628SS.*Hα-helixtrans-74.8-35.4-177.6-177.40000111.7T18 S19V16-T18 PolarHBondContact O-N 3.37Å; V16-S19 PolarHBondContact O-OG 3.43Å
17C62.7Low67.6Low97 Ų97115.2 Ų115.266%0.65562%0.618SS**Hα-helixtrans-67-35.7-176-71.90000113.8G21C17-G21 PolarHBondContact O-N 3.45Å
18T63.6Low69.9Low97 Ų97112 Ų11260%0.59560%0.598SS**Hα-helixtrans-73.6-40.8-173.858.40000112.8F15 V16 N20 G21 A22F15-T18 PolarHBondContact O-OG1 3.33Å; V16-T18 PolarHBondContact O-N 3.37Å; T18-N20 VanDerWaalsContact C-N 3.35Å; T18-N20 PolarHBondContact O-N 2.98Å; T18-G21 PolarHBondContact O-N 3.46Å; T18-A22 PolarHBondContact O-N 3.44Å; T18-A22 VanDerWaalsContact O-N 3.12Å
19S69.3Low72.1Confident51 Ų51107.3 Ų107.336%0.35758%0.576SS.*Hα-helixtrans-64-39.2-178.672.10000112.5V16 A22 K23V16-S19 PolarHBondContact O-OG 3.43Å; S19-A22 PolarHBondContact O-N 3.26Å; S19-K23 WeakPolarHBondContact O-CB 3.33Å; S19-K23 WeakPolarHBondContact O-CG 3.5Å; S19-K23 PolarHBondContact O-N 3.12Å
20N75.9Confident74.3Confident97 Ų9798.6 Ų98.652%0.51954%0.539SS..Hα-helixtrans-65.5-39.2176.8-74.4-18.2000111.8T18 K24T18-N20 VanDerWaalsContact C-N 3.35Å; T18-N20 PolarHBondContact O-N 2.98Å; N20-K24 VanDerWaalsContact O-CB 3.27Å; N20-K24 WeakPolarHBondContact O-CB 3.27Å; N20-K24 PolarHBondContact O-N 3.05Å
21G78.3Confident76.3Confident41 Ų4197.6 Ų97.642%0.42353%0.526SS..Hα-helixtrans-64-45.3176.400000112.9C17 T18 K24 N25C17-G21 PolarHBondContact O-N 3.45Å; T18-G21 PolarHBondContact O-N 3.46Å; G21-K24 PolarHBondContact O-N 3.42Å; G21-N25 WeakPolarHBondContact O-CB 3.35Å; G21-N25 PolarHBondContact O-N 3.37Å
22A78.7Confident78.3Confident65 Ų6593 Ų9354%0.53750%0.504SS..Hα-helixtrans-65-44.7178.500000112.4T18 S19 N25 L26T18-A22 PolarHBondContact O-N 3.44Å; T18-A22 VanDerWaalsContact O-N 3.12Å; S19-A22 PolarHBondContact O-N 3.26Å; A22-N25 PolarHBondContact O-N 3.46Å; A22-L26 PolarHBondContact O-N 3.08Å
23K80.1Confident80.4Confident139 Ų13984.1 Ų84.160%0.60447%0.466SS*.Hα-helixtrans-60.1-47175.5-73.4177.7-179.6-178.90111.5S19 N25 L26 T27S19-K23 WeakPolarHBondContact O-CB 3.33Å; S19-K23 WeakPolarHBondContact O-CG 3.5Å; S19-K23 PolarHBondContact O-N 3.12Å; K23-N25 VanDerWaalsContact C-N 3.32Å; K23-N25 PolarHBondContact O-N 3.05Å; K23-L26 PolarHBondContact O-N 3.36Å; K23-L26 VanDerWaalsContact O-N 3.15Å; K23-T27 PolarHBondContact O-N 3.15Å; K23-T27 PolarHBondContact O-OG1 3.1Å
24K84.4Confident82.3Confident138 Ų13882 Ų8260%0.645%0.445SS*.Hα-helixtrans-57.9-43.2177.2-175.1176.8179.7177.80112.3N20 G21 T27 Q28N20-K24 VanDerWaalsContact O-CB 3.27Å; N20-K24 WeakPolarHBondContact O-CB 3.27Å; N20-K24 PolarHBondContact O-N 3.05Å; G21-K24 PolarHBondContact O-N 3.42Å; K24-T27 PolarHBondContact O-N 3.33Å; K24-Q28 WeakPolarHBondContact O-CG 3.48Å; K24-Q28 PolarHBondContact O-N 3.04Å; K24-Q28 VanDerWaalsContact O-N 3.08Å
25N90.7Very high84.3Confident78 Ų7883.7 Ų83.742%0.41744%0.442SS..Hα-helixtrans-64.1-39.6177.2-173.812.1000112.1G21 A22 K23 K29G21-N25 WeakPolarHBondContact O-CB 3.35Å; G21-N25 PolarHBondContact O-N 3.37Å; A22-N25 PolarHBondContact O-N 3.46Å; K23-N25 VanDerWaalsContact C-N 3.32Å; K23-N25 PolarHBondContact O-N 3.05Å; N25-K29 WeakPolarHBondContact O-CG 3.31Å; N25-K29 PolarHBondContact O-N 2.78Å; N25-K29 WeakPolarHBondContact OD1-CE 3.33Å
26L91.8Very high86.3Confident64 Ų6477 Ų7734%0.33541%0.414SS..Hα-helixtrans-63.7-48.7175.1179.160.6000111.4A22 K23 Q28 K29 L30 L149A22-L26 PolarHBondContact O-N 3.08Å; K23-L26 PolarHBondContact O-N 3.36Å; K23-L26 VanDerWaalsContact O-N 3.15Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 3.15Å; L26-K29 WeakPolarHBondContact O-CB 3.36Å; L26-K29 PolarHBondContact O-N 3.19Å; L26-K29 VanDerWaalsContact O-N 3.1Å; L26-L30 HydrophobicContact CD1-CD1 4.3Å; L26-L30 HydrophobicContact CD1-CG 4.21Å; L26-L30 HydrophobicContact CG-CD1 4.17Å; L26-L30 HydrophobicContact CG-CG 4.45Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 2.88Å; L26-L149 HydrophobicContact CD1-CD1 3.93Å; L26-L149 HydrophobicContact CD1-CD2 4.22Å; L26-L149 HydrophobicContact CD1-CG 3.84Å
27T94.3Very high88.2Confident74 Ų7472.9 Ų72.945%0.45439%0.389SS..Hα-helixtrans-54.8-47.9177.7-57.50000111.6K23 K24 K29 L30 E31K23-T27 PolarHBondContact O-N 3.15Å; K23-T27 PolarHBondContact O-OG1 3.1Å; K24-T27 PolarHBondContact O-N 3.33Å; T27-K29 VanDerWaalsContact C-N 3.28Å; T27-K29 PolarHBondContact O-N 3.28Å; T27-L30 PolarHBondContact O-N 2.99Å; T27-L30 VanDerWaalsContact O-N 3.15Å; T27-E31 HydrophobicContact CG2-CG 4.41Å; T27-E31 WeakPolarHBondContact O-CG 3.41Å; T27-E31 PolarHBondContact O-N 3.01Å
28Q96.8Very high89.9Confident94 Ų9470.6 Ų70.644%0.43937%0.373SS..Hα-helixtrans-60.4-36.2178.4-72.5174.7-30.300113.3K24 L26 T32K24-Q28 WeakPolarHBondContact O-CG 3.48Å; K24-Q28 PolarHBondContact O-N 3.04Å; K24-Q28 VanDerWaalsContact O-N 3.08Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 3.15Å; Q28-T32 WeakPolarHBondContact O-CB 3.46Å; Q28-T32 PolarHBondContact O-N 3.19Å; Q28-T32 PolarHBondContact O-OG1 2.99Å
29K97.7Very high91.6Very high65 Ų6572.8 Ų72.828%0.28337%0.371SS..Hα-helixtrans-68.3-42.9176-75.6175179.1178.30111.8N25 L26 T27 T32 I33 I106 L149N25-K29 WeakPolarHBondContact O-CG 3.31Å; N25-K29 PolarHBondContact O-N 2.78Å; N25-K29 WeakPolarHBondContact OD1-CE 3.33Å; L26-K29 WeakPolarHBondContact O-CB 3.36Å; L26-K29 PolarHBondContact O-N 3.19Å; L26-K29 VanDerWaalsContact O-N 3.1Å; T27-K29 VanDerWaalsContact C-N 3.28Å; T27-K29 PolarHBondContact O-N 3.28Å; K29-T32 WeakPolarHBondContact O-CB 3.32Å; K29-T32 PolarHBondContact O-N 3.25Å; K29-I33 WeakPolarHBondContact O-CG1 3.34Å; K29-I33 PolarHBondContact O-N 3.15Å; K29-I106 HydrophobicContact CB-CD1 3.53Å; K29-I106 HydrophobicContact CD-CD1 4.23Å; K29-I106 HydrophobicContact CG-CD1 3.69Å; K29-L149 HydrophobicContact CB-CD2 3.66Å; K29-L149 HydrophobicContact CD-CD1 4.18Å; K29-L149 HydrophobicContact CD-CD2 4.22Å
30L98.3Very high93Very high25 Ų2571.5 Ų71.513%0.13136%0.358CS..Hα-helixtrans-66-41.5176.8-64.2179.7000111.7L26 T27 T32 I33 H34 W63 C147 L149L26-L30 HydrophobicContact CD1-CD1 4.3Å; L26-L30 HydrophobicContact CD1-CG 4.21Å; L26-L30 HydrophobicContact CG-CD1 4.17Å; L26-L30 HydrophobicContact CG-CG 4.45Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 2.88Å; T27-L30 PolarHBondContact O-N 2.99Å; T27-L30 VanDerWaalsContact O-N 3.15Å; L30-T32 VanDerWaalsContact C-N 3.27Å; L30-T32 PolarHBondContact O-N 2.9Å; L30-I33 HydrophobicContact CD2-CD1 4.24Å; L30-I33 WeakPolarHBondContact O-CB 3.33Å; L30-I33 PolarHBondContact O-N 3.07Å; L30-I33 VanDerWaalsContact O-N 3.15Å; L30-H34 PolarHBondContact O-N 3.22Å; L30-W63 HydrophobicContact CB-CH2 3.77Å; L30-W63 HydrophobicContact CB-CZ2 4.31Å; L30-W63 HydrophobicContact CB-CZ3 4.42Å; L30-W63 HydrophobicContact CD1-CH2 4.17Å; L30-W63 HydrophobicContact CD1-CZ2 4.11Å; L30-W63 HydrophobicContact CD2-CH2 4.2Å; L30-W63 HydrophobicContact CG-CH2 4.25Å; L30-C147 HydrophobicContact CD2-CB 4.4Å; L30-C147 WeakPolarHBondContact CD2-O 3.45Å; L30-L149 HydrophobicContact CD2-CD2 3.96Å; L30-L149 HydrophobicContact CD2-CG 4.43Å
31E98Very high94.1Very high104 Ų10467.3 Ų67.349%0.48634%0.335SS..Hα-helixtrans-59.2-38.9171.6-73.4171176.400111.9T27 H34 R35T27-E31 HydrophobicContact CG2-CG 4.41Å; T27-E31 WeakPolarHBondContact O-CG 3.41Å; T27-E31 PolarHBondContact O-N 3.01Å; E31-H34 PolarHBondContact O-N 2.84Å; E31-R35 WeakPolarHBondContact O-CB 3.48Å; E31-R35 VanDerWaalsContact O-CG 3.31Å; E31-R35 WeakPolarHBondContact O-CG 3.4Å; E31-R35 PolarHBondContact O-N 2.9Å
32T98.5Very high94.9Very high49 Ų4968.9 Ų68.930%0.30133%0.334SS..Hα-helixtrans-63.4-42.3175.6-60.70000111.3Q28 K29 L30 R35 L36 I106Q28-T32 WeakPolarHBondContact O-CB 3.46Å; Q28-T32 PolarHBondContact O-N 3.19Å; Q28-T32 PolarHBondContact O-OG1 2.99Å; K29-T32 WeakPolarHBondContact O-CB 3.32Å; K29-T32 PolarHBondContact O-N 3.25Å; L30-T32 VanDerWaalsContact C-N 3.27Å; L30-T32 PolarHBondContact O-N 2.9Å; T32-R35 PolarHBondContact O-N 2.8Å; T32-L36 HydrophobicContact CG2-CD1 4.04Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 VanDerWaalsContact O-CG 3.3Å; T32-L36 WeakPolarHBondContact O-CG 3.33Å; T32-L36 PolarHBondContact O-N 3.41Å; T32-I106 HydrophobicContact CG2-CG2 4.13Å
33I98.8Very high95.8Very high0 Ų066.1 Ų66.10%031%0.311CS..Hα-helixtrans-61.6-48175.9-67.3165.7000110.8K29 L30 R35 L36 H37 I106 M110 C147 L149 I159 C161K29-I33 WeakPolarHBondContact O-CG1 3.34Å; K29-I33 PolarHBondContact O-N 3.15Å; L30-I33 HydrophobicContact CD2-CD1 4.24Å; L30-I33 WeakPolarHBondContact O-CB 3.33Å; L30-I33 PolarHBondContact O-N 3.07Å; L30-I33 VanDerWaalsContact O-N 3.15Å; I33-R35 PolarHBondContact O-N 2.91Å; I33-L36 PolarHBondContact O-N 3.38Å; I33-H37 PolarHBondContact O-N 3.24Å; I33-H37 VanDerWaalsContact O-N 3.09Å; I33-H37 PolarHBondContact O-ND1 2.98Å; I33-I106 HydrophobicContact CD1-CD1 4.44Å; I33-I106 HydrophobicContact CD1-CG1 4.42Å; I33-I106 HydrophobicContact CD1-CG2 4.41Å; I33-I106 HydrophobicContact CG1-CD1 4.38Å; I33-I106 HydrophobicContact CG1-CG1 4.33Å; I33-I106 HydrophobicContact CG1-CG2 3.47Å; I33-I106 VanDerWaalsContact CG1-CG2 3.47Å; I33-M110 HydrophobicContact CG2-CE 4.49Å; I33-M110 HydrophobicContact CG2-SD 3.84Å; I33-C147 HydrophobicContact CD1-CB 4.42Å; I33-C147 HydrophobicContact CG2-CB 4.03Å; I33-C147 WeakPolarHBondContact CG2-SG 3.28Å; I33-L149 HydrophobicContact CD1-CD2 3.96Å; I33-I159 HydrophobicContact CD1-CG2 3.89Å; I33-C161 WeakPolarHBondContact CG2-SG 3.38Å
34H98.6Very high96.6Very high46 Ų4659.6 Ų59.621%0.21328%0.283CS..Hα-helixtrans-61.2-43.4178.8179.4-94.1000112.2L30 E31 L36 H37 T38 L61 W63L30-H34 PolarHBondContact O-N 3.22Å; E31-H34 PolarHBondContact O-N 2.84Å; H34-L36 PolarHBondContact O-N 2.81Å; H34-H37 PolarHBondContact O-N 2.92Å; H34-T38 PolarHBondContact O-N 3.47Å; H34-T38 VanDerWaalsContact O-N 3.09Å; H34-T38 PolarHBondContact O-OG1 3.38Å; H34-T38 VanDerWaalsContact O-OG1 3.12Å; H34-L61 PolarHBondContact NE2-O 2.97Å; H34-W63 HydrophobicContact CB-CE3 4.17Å; H34-W63 HydrophobicContact CB-CZ3 4.33Å
35R98.7Very high97.1Very high173 Ų17355.1 Ų55.165%0.65327%0.265SS*.Hα-helixtrans-61.9-41.9175-80.417447.4-144.6-10.4112.9E31 T32 I33 T38 Y39E31-R35 WeakPolarHBondContact O-CB 3.48Å; E31-R35 VanDerWaalsContact O-CG 3.31Å; E31-R35 WeakPolarHBondContact O-CG 3.4Å; E31-R35 PolarHBondContact O-N 2.9Å; T32-R35 PolarHBondContact O-N 2.8Å; I33-R35 PolarHBondContact O-N 2.91Å; R35-T38 PolarHBondContact O-N 3.27Å; R35-Y39 WeakPolarHBondContact O-CB 3.3Å; R35-Y39 PolarHBondContact O-N 3.13Å
36L98.8Very high97.3Very high33 Ų3353.8 Ų53.817%0.17326%0.258CS..Hα-helixtrans-65.6-39.8178.7-75169.6000111.5T32 I33 H34 T38 Y39 Y40 I106 M110T32-L36 HydrophobicContact CG2-CD1 4.04Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 VanDerWaalsContact O-CG 3.3Å; T32-L36 WeakPolarHBondContact O-CG 3.33Å; T32-L36 PolarHBondContact O-N 3.41Å; I33-L36 PolarHBondContact O-N 3.38Å; H34-L36 PolarHBondContact O-N 2.81Å; L36-T38 VanDerWaalsContact C-N 3.34Å; L36-T38 PolarHBondContact O-N 3.49Å; L36-Y39 WeakPolarHBondContact O-CB 3.48Å; L36-Y39 PolarHBondContact O-N 3.37Å; L36-Y40 HydrophobicContact CB-CD2 4.48Å; L36-Y40 HydrophobicContact CB-CE2 4.31Å; L36-Y40 WeakPolarHBondContact O-CD2 3.15Å; L36-Y40 PolarHBondContact O-N 3.18Å; L36-I106 HydrophobicContact CD1-CG2 4.05Å; L36-M110 HydrophobicContact CB-CB 4.23Å; L36-M110 HydrophobicContact CB-CG 3.94Å; L36-M110 HydrophobicContact CD1-CB 4.08Å; L36-M110 HydrophobicContact CD1-CG 3.66Å; L36-M110 HydrophobicContact CG-CG 4.45Å
37H98.8Very high97.4Very high1 Ų152.5 Ų52.51%0.00525%0.253CS..Hα-helixtrans-58.9-46.5172.4-79.380.2000112I33 H34 Y39 Y40 R41 L61 M110 I145 Y163I33-H37 PolarHBondContact O-N 3.24Å; I33-H37 VanDerWaalsContact O-N 3.09Å; I33-H37 PolarHBondContact O-ND1 2.98Å; H34-H37 PolarHBondContact O-N 2.92Å; H37-Y39 VanDerWaalsContact C-N 3.34Å; H37-Y39 PolarHBondContact O-N 3.48Å; H37-Y40 PolarHBondContact O-N 2.75Å; H37-R41 WeakPolarHBondContact O-CG 3.27Å; H37-R41 PolarHBondContact O-N 2.91Å; H37-L61 HydrophobicContact CB-CD1 3.73Å; H37-M110 PolarHBondContact CE1-SD 3.01Å; H37-I145 HydrophobicContact CB-CD1 4.29Å; H37-Y163 AromaticContact CD2-CE1 3.72Å; H37-Y163 AromaticContact NE2-CE1 3.49Å; H37-Y163 WeakPolarHBondContact NE2-CE1 3.07Å; H37-Y163 AromaticContact NE2-CZ 3.54Å; H37-Y163 PolarHBondContact NE2-OH 2.84Å
38T98.6Very high97.5Very high49 Ų4955.2 Ų55.230%0.30126%0.259SS..Hα-helixtrans-61.1-43.8177-56.60000111.3H34 R35 L36 Y40 R41 N42H34-T38 PolarHBondContact O-N 3.47Å; H34-T38 VanDerWaalsContact O-N 3.09Å; H34-T38 PolarHBondContact O-OG1 3.38Å; H34-T38 VanDerWaalsContact O-OG1 3.12Å; R35-T38 PolarHBondContact O-N 3.27Å; L36-T38 VanDerWaalsContact C-N 3.34Å; L36-T38 PolarHBondContact O-N 3.49Å; T38-Y40 PolarHBondContact O-N 3.2Å; T38-R41 PolarHBondContact O-N 3.45Å; T38-N42 WeakPolarHBondContact O-CB 3.36Å; T38-N42 VanDerWaalsContact O-CG 3.25Å; T38-N42 PolarHBondContact O-N 3.49Å; T38-N42 PolarHBondContact O-ND2 2.87Å
39Y98.4Very high97.5Very high143 Ų14351.2 Ų51.256%0.56124%0.241SC*.Hα-helixtrans-58.3-47.5175.9169.8-92.9000112.2R35 L36 H37 N42 S43R35-Y39 WeakPolarHBondContact O-CB 3.3Å; R35-Y39 PolarHBondContact O-N 3.13Å; L36-Y39 WeakPolarHBondContact O-CB 3.48Å; L36-Y39 PolarHBondContact O-N 3.37Å; H37-Y39 VanDerWaalsContact C-N 3.34Å; H37-Y39 PolarHBondContact O-N 3.48Å; Y39-N42 PolarHBondContact O-N 3.06Å; Y39-S43 PolarHBondContact O-N 3.12Å
40Y98.7Very high97.4Very high23 Ų2352 Ų529%0.0925%0.253CS..Hα-helixtrans-68.1-38.8-179.1-75.6-54.8000112.7L36 H37 T38 S43 I44 M110 E111 F114 M137L36-Y40 HydrophobicContact CB-CD2 4.48Å; L36-Y40 HydrophobicContact CB-CE2 4.31Å; L36-Y40 WeakPolarHBondContact O-CD2 3.15Å; L36-Y40 PolarHBondContact O-N 3.18Å; H37-Y40 PolarHBondContact O-N 2.75Å; T38-Y40 PolarHBondContact O-N 3.2Å; Y40-S43 PolarHBondContact O-N 3.35Å; Y40-S43 PolarHBondContact O-OG 3.37Å; Y40-I44 PolarHBondContact O-N 3.23Å; Y40-M110 HydrophobicContact CE2-CB 3.84Å; Y40-E111 WeakPolarHBondContact OH-CA 3.35Å; Y40-F114 HydrophobicContact CD1-CB 4Å; Y40-F114 AromaticContact CD1-CD1 3.3Å; Y40-F114 HydrophobicContact CD1-CD1 3.3Å; Y40-F114 AromaticContact CD1-CD2 3.68Å; Y40-F114 HydrophobicContact CD1-CD2 3.68Å; Y40-F114 AromaticContact CD1-CE1 3.51Å; Y40-F114 HydrophobicContact CD1-CE1 3.51Å; Y40-F114 AromaticContact CD1-CE2 3.88Å; Y40-F114 HydrophobicContact CD1-CE2 3.88Å; Y40-F114 AromaticContact CD1-CG 3.35Å; Y40-F114 HydrophobicContact CD1-CG 3.35Å; Y40-F114 AromaticContact CD1-CZ 3.77Å; Y40-F114 HydrophobicContact CD1-CZ 3.77Å; Y40-F114 HydrophobicContact CD2-CB 4.27Å; Y40-F114 HydrophobicContact CD2-CD2 4.42Å; Y40-F114 HydrophobicContact CD2-CG 4.31Å; Y40-F114 HydrophobicContact CE1-CB 4Å; Y40-F114 AromaticContact CE1-CD1 3.47Å; Y40-F114 HydrophobicContact CE1-CD1 3.47Å; Y40-F114 VanDerWaalsContact CE1-CD1 3.47Å; Y40-F114 HydrophobicContact CE1-CD2 4.47Å; Y40-F114 HydrophobicContact CE1-CE1 4Å; Y40-F114 AromaticContact CE1-CG 3.72Å; Y40-F114 HydrophobicContact CE1-CG 3.72Å; Y40-F114 HydrophobicContact CE2-CB 4.29Å; Y40-F114 HydrophobicContact CG-CB 4.14Å; Y40-F114 HydrophobicContact CG-CD1 4.12Å; Y40-F114 AromaticContact CG-CD2 3.65Å; Y40-F114 HydrophobicContact CG-CD2 3.65Å; Y40-F114 HydrophobicContact CG-CE1 4.42Å; Y40-F114 AromaticContact CG-CE2 3.99Å; Y40-F114 HydrophobicContact CG-CE2 3.99Å; Y40-F114 AromaticContact CG-CG 3.69Å; Y40-F114 HydrophobicContact CG-CG 3.69Å; Y40-F114 HydrophobicContact CG-CZ 4.33Å; Y40-M137 HydrophobicContact CD2-CE 3.5Å; Y40-M137 HydrophobicContact CE2-CE 4.21Å; Y40-M137 HydrophobicContact CG-CE 4.14Å
41R98.3Very high97.3Very high9 Ų956.5 Ų56.53%0.03428%0.281CS..Hα-helixtrans-59.9-46.1171.3-74.3174.27690.3-9.2111.6H37 T38 S43 I44 L45 M58 E59 L61 M137 W139 A140 T142H37-R41 WeakPolarHBondContact O-CG 3.27Å; H37-R41 PolarHBondContact O-N 2.91Å; T38-R41 PolarHBondContact O-N 3.45Å; R41-S43 VanDerWaalsContact C-N 3.28Å; R41-S43 PolarHBondContact O-N 2.98Å; R41-I44 PolarHBondContact O-N 3.41Å; R41-I44 VanDerWaalsContact O-N 3.15Å; R41-L45 PolarHBondContact O-N 2.86Å; R41-M58 HydrophobicContact CB-SD 3.49Å; R41-M58 WeakPolarHBondContact CB-SD 3.49Å; R41-M58 HydrophobicContact CG-SD 3.69Å; R41-E59 PolarHBondContact NH2-O 3.48Å; R41-L61 VanDerWaalsContact CD-CD1 3.44Å; R41-M137 WeakPolarHBondContact CG-O 3.27Å; R41-M137 PolarHBondContact NH1-O 2.85Å; R41-W139 PolarHBondContact NH1-O 2.58Å; R41-W139 PolarHBondContact NH2-O 3.41Å; R41-A140 PolarHBondContact NH2-O 3.17Å; R41-A140 VanDerWaalsContact NH2-O 3.16Å; R41-T142 PolarHBondContact NH2-O 3.33Å
42N96.7Very high97.2Very high74 Ų7452 Ų5240%0.39626%0.26SS..Hα-helixtrans-63.5-31.9175.2-70.5-14000112.9T38 Y39 I44 L45 L46T38-N42 WeakPolarHBondContact O-CB 3.36Å; T38-N42 VanDerWaalsContact O-CG 3.25Å; T38-N42 PolarHBondContact O-N 3.49Å; T38-N42 PolarHBondContact O-ND2 2.87Å; Y39-N42 PolarHBondContact O-N 3.06Å; N42-I44 VanDerWaalsContact C-N 3.26Å; N42-I44 PolarHBondContact O-N 3.38Å; N42-L45 PolarHBondContact O-N 2.87Å; N42-L46 VanDerWaalsContact O-CB 3.3Å; N42-L46 WeakPolarHBondContact O-CB 3.3Å; N42-L46 VanDerWaalsContact O-CG 3.24Å; N42-L46 WeakPolarHBondContact O-CG 3.49Å; N42-L46 PolarHBondContact O-N 2.96Å
43S97Very high97.2Very high8 Ų850.1 Ų50.16%0.05625%0.249CC..Hα-helixtrans-64.9-31176.373.70000113Y39 Y40 R41 C47 K48 V49 F114Y39-S43 PolarHBondContact O-N 3.12Å; Y40-S43 PolarHBondContact O-N 3.35Å; Y40-S43 PolarHBondContact O-OG 3.37Å; R41-S43 VanDerWaalsContact C-N 3.28Å; R41-S43 PolarHBondContact O-N 2.98Å; S43-C47 PolarHBondContact O-N 2.84Å; S43-K48 WeakPolarHBondContact O-CB 3.41Å; S43-K48 PolarHBondContact O-N 3Å; S43-V49 VanDerWaalsContact OG-CG2 3.29Å; S43-V49 WeakPolarHBondContact OG-CG2 3.22Å; S43-F114 WeakPolarHBondContact OG-CZ 3.36Å
44I96.8Very high97.1Very high2 Ų250.1 Ų50.11%0.0125%0.249CC..Hα-helixtrans-71.8-50.7173.4-63.4-75000109.6Y40 R41 N42 L46 C47 V49 Q52 P54 A55 M58 F114 Y134 V138 Y174Y40-I44 PolarHBondContact O-N 3.23Å; R41-I44 PolarHBondContact O-N 3.41Å; R41-I44 VanDerWaalsContact O-N 3.15Å; N42-I44 VanDerWaalsContact C-N 3.26Å; N42-I44 PolarHBondContact O-N 3.38Å; I44-L46 PolarHBondContact O-N 3.25Å; I44-C47 PolarHBondContact O-N 3.39Å; I44-C47 VanDerWaalsContact O-N 3.17Å; I44-V49 HydrophobicContact CD1-CB 3.83Å; I44-V49 HydrophobicContact CD1-CG1 4.06Å; I44-V49 HydrophobicContact CD1-CG2 3.6Å; I44-V49 HydrophobicContact CG1-CG2 4.11Å; I44-Q52 HydrophobicContact CD1-CB 4.16Å; I44-Q52 HydrophobicContact CD1-CG 4.49Å; I44-P54 VanDerWaalsContact O-CA 3.28Å; I44-P54 WeakPolarHBondContact O-CA 3.46Å; I44-A55 HydrophobicContact CG2-CB 3.8Å; I44-M58 HydrophobicContact CB-CE 3.67Å; I44-M58 HydrophobicContact CG1-CE 4.26Å; I44-M58 HydrophobicContact CG2-CE 3.52Å; I44-F114 HydrophobicContact CD1-CZ 4.35Å; I44-F114 HydrophobicContact CG1-CE2 4.42Å; I44-F114 HydrophobicContact CG1-CZ 4.37Å; I44-Y134 HydrophobicContact CD1-CE2 4.27Å; I44-Y134 WeakPolarHBondContact CD1-OH 3.42Å; I44-V138 HydrophobicContact CD1-CG1 4.4Å; I44-V138 HydrophobicContact CG1-CB 4.4Å; I44-V138 HydrophobicContact CG1-CG1 3.86Å; I44-Y174 HydrophobicContact CG2-CD1 4.22Å; I44-Y174 HydrophobicContact CG2-CD2 4.48Å; I44-Y174 HydrophobicContact CG2-CE1 3.75Å; I44-Y174 HydrophobicContact CG2-CE2 4.01Å
45L94.8Very high97Very high43 Ų4348 Ų4823%0.22524%0.24CC..Hα-helixtrans-52.9-39.9176.8-70.2166.8000112.3R41 N42 A55 M58R41-L45 PolarHBondContact O-N 2.86Å; N42-L45 PolarHBondContact O-N 2.87Å; L45-A55 HydrophobicContact CD2-CB 3.88Å; L45-M58 HydrophobicContact CD1-CB 4.29Å; L45-M58 HydrophobicContact CD1-CG 4.4Å; L45-M58 HydrophobicContact CD2-CG 4.17Å; L45-M58 HydrophobicContact CG-CG 4.25Å; L45-M58 HydrophobicContact CG-SD 4.5Å
46L94.7Very high96.9Very high51 Ų5145.1 Ų45.127%0.26723%0.234SC..THydrogen-bonded Turntrans-9516.2-174.3-60.5175.2000114.1N42 I44 K48 L183N42-L46 VanDerWaalsContact O-CB 3.3Å; N42-L46 WeakPolarHBondContact O-CB 3.3Å; N42-L46 VanDerWaalsContact O-CG 3.24Å; N42-L46 WeakPolarHBondContact O-CG 3.49Å; N42-L46 PolarHBondContact O-N 2.96Å; I44-L46 PolarHBondContact O-N 3.25Å; L46-K48 HydrophobicContact CB-CD 4.27Å; L46-K48 HydrophobicContact CB-CG 4.11Å; L46-K48 WeakPolarHBondContact O-CG 3.14Å; L46-K48 PolarHBondContact O-N 2.85Å; L46-L183 HydrophobicContact CD1-CD1 4.17Å; L46-L183 HydrophobicContact CD2-CD1 3.74Å; L46-L183 HydrophobicContact CD2-CG 3.83Å
47C94.9Very high96.7Very high36 Ų3648.3 Ų48.324%0.24325%0.251CS..THydrogen-bonded Turntrans60.926.6175-43.20000114.8S43 I44 V49 P54 C182S43-C47 PolarHBondContact O-N 2.84Å; I44-C47 PolarHBondContact O-N 3.39Å; I44-C47 VanDerWaalsContact O-N 3.17Å; C47-V49 VanDerWaalsContact C-N 3.33Å; C47-P54 VanDerWaalsContact SG-CB 3.55Å; C47-C182 HydrophobicContact CB-CB 3.63Å; C47-C182 WeakPolarHBondContact CB-SG 3.14Å; C47-C182 VanDerWaalsContact SG-CA 3.51Å; C47-C182 WeakPolarHBondContact SG-CB 3.42Å; C47-C182 CovalentContact SG-SG 1.99Å; C47-C182 PolarHBondContact SG-SG 2.91Å
48K95.4Very high96.6Very high131 Ų13149.4 Ų49.457%0.5726%0.256SS*.  trans-90.12-176.6-60-174.4177.4-177.40113.3S43 L46S43-K48 WeakPolarHBondContact O-CB 3.41Å; S43-K48 PolarHBondContact O-N 3Å; L46-K48 HydrophobicContact CB-CD 4.27Å; L46-K48 HydrophobicContact CB-CG 4.11Å; L46-K48 WeakPolarHBondContact O-CG 3.14Å; L46-K48 PolarHBondContact O-N 2.85Å
49V96.9Very high96.6Very high11 Ų1151.1 Ų51.17%0.06726%0.261CS..SBendtrans-111.1110.6-176.6-172.50000108.8S43 I44 C47 Q52 F114 Y117S43-V49 VanDerWaalsContact OG-CG2 3.29Å; S43-V49 WeakPolarHBondContact OG-CG2 3.22Å; I44-V49 HydrophobicContact CD1-CB 3.83Å; I44-V49 HydrophobicContact CD1-CG1 4.06Å; I44-V49 HydrophobicContact CD1-CG2 3.6Å; I44-V49 HydrophobicContact CG1-CG2 4.11Å; C47-V49 VanDerWaalsContact C-N 3.33Å; V49-Q52 HydrophobicContact CB-CB 4.23Å; V49-Q52 HydrophobicContact CB-CG 4.39Å; V49-Q52 HydrophobicContact CG1-CB 4.02Å; V49-Q52 HydrophobicContact CG1-CG 3.63Å; V49-Q52 PolarHBondContact O-N 2.9Å; V49-F114 HydrophobicContact CG1-CE1 4.32Å; V49-F114 HydrophobicContact CG1-CZ 4.3Å; V49-F114 HydrophobicContact CG2-CE1 3.98Å; V49-F114 HydrophobicContact CG2-CZ 3.62Å; V49-Y117 HydrophobicContact CG1-CD1 4.19Å; V49-Y117 HydrophobicContact CG1-CD2 3.75Å; V49-Y117 HydrophobicContact CG1-CE1 4.35Å; V49-Y117 HydrophobicContact CG1-CE2 3.91Å; V49-Y117 HydrophobicContact CG1-CG 3.91Å
50P95.5Very high96.6Very high81 Ų8149.5 Ų49.553%0.52627%0.266SS..THydrogen-bonded Turntrans-54.9149.1177.5-25.735000111.8Q52 Y117P50-Q52 PolarHBondContact O-N 3.27Å; P50-Y117 VanDerWaalsContact O-CE2 3.27Å; P50-Y117 WeakPolarHBondContact O-CE2 3.48Å
51T95.6Very high96.6Very high120 Ų12048.9 Ų48.974%0.73626%0.264SS*.THydrogen-bonded Turntrans61.9-4.6178.978.20000117
52Q97.5Very high96.6Very high8 Ų856 Ų564%0.03729%0.291CS..SBendtrans-105.3134177.7-55.7-61.2-6400109.6I44 V49 P50 Y117 Y120 Y134I44-Q52 HydrophobicContact CD1-CB 4.16Å; I44-Q52 HydrophobicContact CD1-CG 4.49Å; V49-Q52 HydrophobicContact CB-CB 4.23Å; V49-Q52 HydrophobicContact CB-CG 4.39Å; V49-Q52 HydrophobicContact CG1-CB 4.02Å; V49-Q52 HydrophobicContact CG1-CG 3.63Å; V49-Q52 PolarHBondContact O-N 2.9Å; P50-Q52 PolarHBondContact O-N 3.27Å; Q52-Y117 HydrophobicContact CG-CD2 3.91Å; Q52-Y117 HydrophobicContact CG-CG 4.44Å; Q52-Y117 PolarHBondContact NE2-O 2.91Å; Q52-Y120 PolarHBondContact NE2-O 2.92Å; Q52-Y120 VanDerWaalsContact NE2-O 3.08Å; Q52-Y134 WeakPolarHBondContact CG-OH 3.42Å; Q52-Y134 PolarHBondContact OE1-OH 3.45Å
53P97Very high96.7Very high10 Ų1056.6 Ų56.67%0.06529%0.287CS..PPolyproline II helixtrans-68.1155.7170.527.6-29.4000110.3Y122 Y174 I176P53-Y122 HydrophobicContact CG-CD1 3.4Å; P53-Y122 HydrophobicContact CG-CD2 3.9Å; P53-Y122 HydrophobicContact CG-CE1 3.71Å; P53-Y122 HydrophobicContact CG-CE2 4.2Å; P53-Y122 HydrophobicContact CG-CG 3.51Å; P53-Y174 HydrophobicContact CG-CE2 4.2Å; P53-Y174 WeakPolarHBondContact O-CE2 3.36Å; P53-Y174 PolarHBondContact O-OH 3.5Å; P53-I176 HydrophobicContact CB-CD1 4.1Å; P53-I176 HydrophobicContact CB-CG1 4.02Å; P53-I176 HydrophobicContact CB-CG2 4.05Å; P53-I176 HydrophobicContact CG-CD1 4.08Å; P53-I176 HydrophobicContact CG-CG1 3.95Å
54P96.4Very high96.8Very high1 Ų157.7 Ų57.71%0.00629%0.292CS..PPolyproline II helixtrans-64.7150.1170.927.9-32.8000111.2I44 C47 I176 G177 R179I44-P54 VanDerWaalsContact O-CA 3.28Å; I44-P54 WeakPolarHBondContact O-CA 3.46Å; C47-P54 VanDerWaalsContact SG-CB 3.55Å; P54-I176 WeakPolarHBondContact O-CA 3.36Å; P54-G177 PolarHBondContact O-N 3.26Å; P54-R179 HydrophobicContact CG-CG 3.92Å
55A96.9Very high96.8Very high2 Ų263.3 Ų63.32%0.01732%0.323CS..BIsolated β-bridgetrans-77.6145.6166.100000109.9I44 L45 M58 Y174 V175I44-A55 HydrophobicContact CG2-CB 3.8Å; L45-A55 HydrophobicContact CD2-CB 3.88Å; A55-M58 HydrophobicContact CB-CE 3.59Å; A55-M58 HydrophobicContact CB-CG 4.14Å; A55-Y174 HydrophobicContact CB-CD1 4.42Å; A55-Y174 HydrophobicContact CB-CD2 3.59Å; A55-Y174 HydrophobicContact CB-CE2 4.27Å; A55-Y174 HydrophobicContact CB-CG 3.68Å; A55-V175 CarbonylContact C-O 3.5Å; A55-V175 WeakPolarHBondContact CA-O 3.33Å
56E96.2Very high97Very high112 Ų11263.8 Ų63.852%0.52333%0.325SS..SBendtrans-65.4-50.1169.5179.4176.4-152.200110.3V175E56-V175 HydrophobicContact CB-CB 4.33Å; E56-V175 HydrophobicContact CB-CG1 4.4Å; E56-V175 PolarHBondContact N-O 3.29Å; E56-V175 WeakPolarHBondContact OE2-CG1 3.48Å
57D95.8Very high97.1Very high99 Ų9961.3 Ų61.353%0.52931%0.312SS..  trans-150.1169.417768.50000111.2
58M97.2Very high97.3Very high25 Ų2560.1 Ų60.112%0.12330%0.304CS..  trans-148.5137.1171.1-71.3-164-178.800109.2R41 I44 L45 A55 V138 A140 Y174R41-M58 HydrophobicContact CB-SD 3.49Å; R41-M58 WeakPolarHBondContact CB-SD 3.49Å; R41-M58 HydrophobicContact CG-SD 3.69Å; I44-M58 HydrophobicContact CB-CE 3.67Å; I44-M58 HydrophobicContact CG1-CE 4.26Å; I44-M58 HydrophobicContact CG2-CE 3.52Å; L45-M58 HydrophobicContact CD1-CB 4.29Å; L45-M58 HydrophobicContact CD1-CG 4.4Å; L45-M58 HydrophobicContact CD2-CG 4.17Å; L45-M58 HydrophobicContact CG-CG 4.25Å; L45-M58 HydrophobicContact CG-SD 4.5Å; A55-M58 HydrophobicContact CB-CE 3.59Å; A55-M58 HydrophobicContact CB-CG 4.14Å; M58-V138 HydrophobicContact CE-CB 4.21Å; M58-A140 HydrophobicContact CG-CB 4.31Å; M58-Y174 HydrophobicContact CE-CD1 3.98Å; M58-Y174 HydrophobicContact CE-CG 4.34Å
59E98.2Very high97.4Very high85 Ų8557.9 Ų57.940%0.39730%0.299SS..  trans-59.7142.8171.5-71.7-76.9-171.100110.7R41 L61 A140 T142 K143R41-E59 PolarHBondContact NH2-O 3.48Å; E59-L61 PolarHBondContact O-N 3.12Å; E59-A140 VanDerWaalsContact CB-O 3.23Å; E59-A140 WeakPolarHBondContact CB-O 3.06Å; E59-A140 WeakPolarHBondContact CG-O 3.26Å; E59-A140 PolarHBondContact N-O 2.84Å; E59-T142 WeakPolarHBondContact CB-O 3.5Å; E59-K143 HydrophobicContact CB-CG 4.01Å; E59-K143 HydrophobicContact CG-CG 3.89Å; E59-K143 WeakPolarHBondContact OE1-CE 3.42Å; E59-K143 IonicContact OE1-NZ 2.88Å
60V98.3Very high97.5Very high109 Ų10957.4 Ų57.466%0.66130%0.296SS*.  trans-72.2120.6175.8177.50000108.7R62V60-R62 PolarHBondContact O-N 3.17Å; V60-R62 VanDerWaalsContact O-N 3.15Å
61L98.5Very high97.6Very high9 Ų953.5 Ų53.55%0.04727%0.271CS..  trans-68.8112177.2-69.6-176.6000111.2H34 H37 R41 E59 T142 I145H34-L61 PolarHBondContact NE2-O 2.97Å; H37-L61 HydrophobicContact CB-CD1 3.73Å; R41-L61 VanDerWaalsContact CD-CD1 3.44Å; E59-L61 PolarHBondContact O-N 3.12Å; L61-T142 HydrophobicContact CD2-CG2 3.59Å; L61-T142 WeakPolarHBondContact CD2-O 3.44Å; L61-I145 HydrophobicContact CB-CG2 4.04Å; L61-I145 HydrophobicContact CD1-CD1 4.48Å; L61-I145 HydrophobicContact CD1-CG2 4.41Å
62R98.5Very high97.8Very high160 Ų16049.6 Ų49.660%0.60424%0.244SC*.EExtended strand (participates in β ladder)trans-95.2132.7173.5-63177.4-175.1157.43.3110V60 K143 H144 I145V60-R62 PolarHBondContact O-N 3.17Å; V60-R62 VanDerWaalsContact O-N 3.15Å; R62-K143 PolarHBondContact N-O 2.77Å; R62-H144 WeakPolarHBondContact O-CA 3.47Å; R62-I145 PolarHBondContact O-N 3.45Å
63W98.7Very high97.8Very high85 Ų8552.2 Ų52.232%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-61.8139171.9-173.2-94.2000110.4L30 H34 D65 A68 I145 C147L30-W63 HydrophobicContact CB-CH2 3.77Å; L30-W63 HydrophobicContact CB-CZ2 4.31Å; L30-W63 HydrophobicContact CB-CZ3 4.42Å; L30-W63 HydrophobicContact CD1-CH2 4.17Å; L30-W63 HydrophobicContact CD1-CZ2 4.11Å; L30-W63 HydrophobicContact CD2-CH2 4.2Å; L30-W63 HydrophobicContact CG-CH2 4.25Å; H34-W63 HydrophobicContact CB-CE3 4.17Å; H34-W63 HydrophobicContact CB-CZ3 4.33Å; W63-D65 VanDerWaalsContact CD1-OD1 3.26Å; W63-D65 PolarHBondContact NE1-OD1 3.28Å; W63-A68 HydrophobicContact CH2-CB 4.15Å; W63-A68 HydrophobicContact CZ2-CB 3.36Å; W63-I145 CarbonylContact C-O 3.56Å; W63-I145 VanDerWaalsContact CA-O 3.3Å; W63-I145 WeakPolarHBondContact CA-O 3.11Å; W63-C147 HydrophobicContact CH2-CB 4.06Å; W63-C147 VanDerWaalsContact CH2-N 3.31Å; W63-C147 WeakPolarHBondContact CH2-O 3.01Å; W63-C147 HydrophobicContact CZ3-CB 4.24Å
64N98.4Very high97.8Very high31 Ų3151.8 Ų51.817%0.16625%0.253CS..  trans-132121.2176.2-176.4-72.9000110.8I66 L67 A68 F93 H144 I145N64-I66 PolarHBondContact O-N 3.47Å; N64-I66 WeakPolarHBondContact OD1-CA 2.94Å; N64-I66 WeakPolarHBondContact OD1-CB 3.47Å; N64-I66 PolarHBondContact OD1-N 2.89Å; N64-L67 HydrophobicContact CB-CB 4.27Å; N64-L67 HydrophobicContact CB-CD1 4.09Å; N64-L67 HydrophobicContact CB-CG 4.17Å; N64-L67 PolarHBondContact O-N 3.09Å; N64-L67 PolarHBondContact OD1-N 3.48Å; N64-A68 WeakPolarHBondContact O-CB 3.45Å; N64-A68 PolarHBondContact O-N 3.36Å; N64-F93 WeakPolarHBondContact OD1-CZ 3.44Å; N64-H144 HydrophobicContact CB-CB 4.18Å; N64-I145 PolarHBondContact N-O 3.48Å
65D97.6Very high97.9Very high120 Ų12051.7 Ų51.764%0.64225%0.253SS*.Hα-helixtrans-71.8-26.7-174.3-67.5-36.3000113.8W63 A68 N69W63-D65 VanDerWaalsContact CD1-OD1 3.26Å; W63-D65 PolarHBondContact NE1-OD1 3.28Å; D65-A68 PolarHBondContact O-N 3.09Å; D65-N69 VanDerWaalsContact O-CB 3.22Å; D65-N69 WeakPolarHBondContact O-CB 3.01Å; D65-N69 PolarHBondContact O-N 3.32Å
66I97.9Very high97.9Very high53 Ų5355.6 Ų55.627%0.27227%0.274SS..Hα-helixtrans-67.8-49.2175.3-61168.6000109.1N64 A68 N69 N70 L89 L90 F93N64-I66 PolarHBondContact O-N 3.47Å; N64-I66 WeakPolarHBondContact OD1-CA 2.94Å; N64-I66 WeakPolarHBondContact OD1-CB 3.47Å; N64-I66 PolarHBondContact OD1-N 2.89Å; I66-A68 VanDerWaalsContact C-N 3.31Å; I66-A68 PolarHBondContact O-N 2.95Å; I66-N69 PolarHBondContact O-N 3.45Å; I66-N70 PolarHBondContact O-N 3.47Å; I66-L89 HydrophobicContact CD1-CB 4.3Å; I66-L89 HydrophobicContact CG1-CD1 4.48Å; I66-L89 HydrophobicContact CG2-CB 3.58Å; I66-L89 HydrophobicContact CG2-CD1 4.49Å; I66-L90 HydrophobicContact CG2-CD2 3.95Å; I66-F93 HydrophobicContact CB-CE2 4.27Å; I66-F93 HydrophobicContact CB-CZ 4.38Å; I66-F93 HydrophobicContact CG2-CE2 3.99Å
67L98.5Very high97.9Very high0 Ų055.9 Ų55.90%027%0.273CS..Hα-helixtrans-60.8-41.3175.6-65.5-177.7000111.4N64 N70 A71 L90 F93 I96 H144 N162N64-L67 HydrophobicContact CB-CB 4.27Å; N64-L67 HydrophobicContact CB-CD1 4.09Å; N64-L67 HydrophobicContact CB-CG 4.17Å; N64-L67 PolarHBondContact O-N 3.09Å; N64-L67 PolarHBondContact OD1-N 3.48Å; L67-N70 PolarHBondContact O-N 3.28Å; L67-A71 WeakPolarHBondContact O-CB 3.46Å; L67-A71 PolarHBondContact O-N 2.05Å; L67-L90 HydrophobicContact CD2-CD2 4.11Å; L67-F93 HydrophobicContact CD1-CE1 4.12Å; L67-F93 HydrophobicContact CD1-CZ 4.27Å; L67-F93 HydrophobicContact CD2-CD2 3.94Å; L67-F93 HydrophobicContact CD2-CE1 4.29Å; L67-F93 HydrophobicContact CD2-CE2 3.7Å; L67-F93 HydrophobicContact CD2-CG 4.35Å; L67-F93 HydrophobicContact CD2-CZ 3.89Å; L67-F93 HydrophobicContact CG-CE1 4.09Å; L67-F93 HydrophobicContact CG-CE2 4.03Å; L67-F93 HydrophobicContact CG-CZ 3.72Å; L67-I96 HydrophobicContact CD2-CD1 4.24Å; L67-I96 HydrophobicContact CD2-CG1 4.22Å; L67-I96 HydrophobicContact CD2-CG2 4.32Å; L67-H144 HydrophobicContact CD1-CB 3.85Å; L67-N162 HydrophobicContact CB-CB 4.13Å; L67-N162 HydrophobicContact CD2-CB 4.21Å; L67-N162 PolarHBondContact O-ND2 3.01Å
68A98.6Very high97.9Very high10 Ų1053.6 Ų53.68%0.08326%0.264CS..Hα-helixtrans-67.6-42.9179.900000112.4W63 N64 D65 I66 N70 A71 Q72W63-A68 HydrophobicContact CH2-CB 4.15Å; W63-A68 HydrophobicContact CZ2-CB 3.36Å; N64-A68 WeakPolarHBondContact O-CB 3.45Å; N64-A68 PolarHBondContact O-N 3.36Å; D65-A68 PolarHBondContact O-N 3.09Å; I66-A68 VanDerWaalsContact C-N 3.31Å; I66-A68 PolarHBondContact O-N 2.95Å; A68-N70 VanDerWaalsContact C-N 3.31Å; A68-N70 PolarHBondContact O-N 2.87Å; A68-A71 PolarHBondContact O-N 2.03Å; A68-Q72 WeakPolarHBondContact O-CB 3.43Å; A68-Q72 PolarHBondContact O-N 3.2Å
69N97.9Very high97.7Very high85 Ų8555.7 Ų55.746%0.45528%0.276SS..Hα-helixtrans-60.9-43.3175.2-179.862.2000110.9D65 I66 Q72 Q73D65-N69 VanDerWaalsContact O-CB 3.22Å; D65-N69 WeakPolarHBondContact O-CB 3.01Å; D65-N69 PolarHBondContact O-N 3.32Å; I66-N69 PolarHBondContact O-N 3.45Å; N69-Q72 PolarHBondContact O-N 3.48Å; N69-Q73 PolarHBondContact ND2-NE2 2.94Å; N69-Q73 VanDerWaalsContact ND2-NE2 3.2Å; N69-Q73 WeakPolarHBondContact O-CG 3.21Å; N69-Q73 PolarHBondContact O-N 3.32Å
70N98.3Very high97.4Very high0 Ų055.6 Ų55.60%028%0.278CS..Hα-helixtrans-61.9-50.7175.2-169.7-87.4000112.1I66 L67 A68 Q72 Q73 V74 L84 V85 L90 N162I66-N70 PolarHBondContact O-N 3.47Å; L67-N70 PolarHBondContact O-N 3.28Å; A68-N70 VanDerWaalsContact C-N 3.31Å; A68-N70 PolarHBondContact O-N 2.87Å; N70-Q72 PolarHBondContact O-N 2.89Å; N70-Q73 WeakPolarHBondContact O-CB 3.42Å; N70-Q73 PolarHBondContact O-N 3.05Å; N70-V74 WeakPolarHBondContact O-CG2 3.47Å; N70-V74 PolarHBondContact O-N 3.45Å; N70-L84 WeakPolarHBondContact OD1-CD2 3.49Å; N70-V85 PolarHBondContact ND2-O 3.47Å; N70-L90 HydrophobicContact CB-CD2 4.26Å; N70-L90 WeakPolarHBondContact ND2-CD1 3.38Å; N70-N162 PolarHBondContact OD1-ND2 2.86Å
71A98.5Very high97.2Very high0 Ų056.9 Ų56.90%028%0.281CS..Hα-helixtrans-58.2-36.5177.600000112.1L67 A68 V74 A75 V160 N162L67-A71 WeakPolarHBondContact O-CB 3.46Å; L67-A71 PolarHBondContact O-N 2.05Å; A68-A71 PolarHBondContact O-N 2.03Å; A71-V74 PolarHBondContact O-N 3.31Å; A71-A75 WeakPolarHBondContact O-CB 3.43Å; A71-A75 PolarHBondContact O-N 3.37Å; A71-V160 HydrophobicContact CB-CB 4.1Å; A71-V160 HydrophobicContact CB-CG1 3.84Å; A71-N162 PolarHBondContact N-ND2 3.23Å
72Q98.2Very high96.8Very high38 Ų3859.8 Ų59.818%0.17829%0.293CS..Hα-helixtrans-66.2-40.1174.6-173.460.760.300112A68 N69 N70 V74 A75 N76 L149A68-Q72 WeakPolarHBondContact O-CB 3.43Å; A68-Q72 PolarHBondContact O-N 3.2Å; N69-Q72 PolarHBondContact O-N 3.48Å; N70-Q72 PolarHBondContact O-N 2.89Å; Q72-V74 VanDerWaalsContact C-N 3.33Å; Q72-A75 PolarHBondContact O-N 2.85Å; Q72-N76 PolarHBondContact NE2-OD1 2.91Å; Q72-N76 WeakPolarHBondContact O-CB 3.35Å; Q72-N76 PolarHBondContact O-N 2.88Å; Q72-N76 PolarHBondContact O-ND2 2.88Å; Q72-N76 PolarHBondContact O-OD1 2.91Å; Q72-L149 PolarHBondContact NE2-O 3.44Å; Q72-L149 PolarHBondContact OE1-O 3.37Å
73Q97.9Very high96.5Very high63 Ų6358.2 Ų58.229%0.29430%0.297SS..Hα-helixtrans-64.1-38.9175.4-67.8178.775.700112.1N69 N70 N76 V85N69-Q73 PolarHBondContact ND2-NE2 2.94Å; N69-Q73 VanDerWaalsContact ND2-NE2 3.2Å; N69-Q73 WeakPolarHBondContact O-CG 3.21Å; N69-Q73 PolarHBondContact O-N 3.32Å; N70-Q73 WeakPolarHBondContact O-CB 3.42Å; N70-Q73 PolarHBondContact O-N 3.05Å; Q73-N76 PolarHBondContact O-N 3.22Å; Q73-V85 HydrophobicContact CB-CB 4.4Å; Q73-V85 HydrophobicContact CB-CG2 3.78Å
74V98Very high96.1Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-64.3-49.7172.9177.50000110.4N70 A71 Q72 N76 K77 F82 D83 V85 V160N70-V74 WeakPolarHBondContact O-CG2 3.47Å; N70-V74 PolarHBondContact O-N 3.45Å; A71-V74 PolarHBondContact O-N 3.31Å; Q72-V74 VanDerWaalsContact C-N 3.33Å; V74-N76 PolarHBondContact O-N 3.07Å; V74-N76 VanDerWaalsContact O-N 3.17Å; V74-K77 VanDerWaalsContact O-CB 3.26Å; V74-K77 WeakPolarHBondContact O-CB 3.34Å; V74-K77 WeakPolarHBondContact O-CG 3.46Å; V74-K77 PolarHBondContact O-N 2.86Å; V74-F82 HydrophobicContact CB-CD1 4.41Å; V74-F82 HydrophobicContact CG1-CB 4.38Å; V74-F82 HydrophobicContact CG1-CD1 4.07Å; V74-F82 WeakPolarHBondContact CG1-O 3.28Å; V74-F82 HydrophobicContact CG2-CD1 4.2Å; V74-D83 WeakPolarHBondContact CG2-O 3.36Å; V74-V85 HydrophobicContact CG2-CG2 4.07Å; V74-V160 HydrophobicContact CB-CG1 4.17Å; V74-V160 HydrophobicContact CB-CG2 4.16Å; V74-V160 HydrophobicContact CG1-CG1 4.07Å; V74-V160 HydrophobicContact CG1-CG2 3.76Å
75A97.8Very high95.6Very high0 Ų056.8 Ų56.80%030%0.296CS..Hα-helixtrans-58.6-34.1179.400000112.4A71 Q72 K77 C78 N150 M158 V160A71-A75 WeakPolarHBondContact O-CB 3.43Å; A71-A75 PolarHBondContact O-N 3.37Å; Q72-A75 PolarHBondContact O-N 2.85Å; A75-K77 PolarHBondContact O-N 2.88Å; A75-C78 PolarHBondContact O-N 3.07Å; A75-N150 HydrophobicContact CB-CB 4.24Å; A75-N150 WeakPolarHBondContact O-CB 3.42Å; A75-M158 HydrophobicContact CB-CG 4.2Å; A75-V160 HydrophobicContact CB-CB 4.46Å; A75-V160 HydrophobicContact CB-CG2 3.92Å
76N96.8Very high95.1Very high84 Ų8458.1 Ų58.145%0.44930%0.303SS..THydrogen-bonded Turntrans-64-22.3175.9-69-16.8000113.4Q72 Q73 V74 C78Q72-N76 PolarHBondContact NE2-OD1 2.91Å; Q72-N76 WeakPolarHBondContact O-CB 3.35Å; Q72-N76 PolarHBondContact O-N 2.88Å; Q72-N76 PolarHBondContact O-ND2 2.88Å; Q72-N76 PolarHBondContact O-OD1 2.91Å; Q73-N76 PolarHBondContact O-N 3.22Å; V74-N76 PolarHBondContact O-N 3.07Å; V74-N76 VanDerWaalsContact O-N 3.17Å; N76-C78 VanDerWaalsContact C-N 3.29Å; N76-C78 PolarHBondContact O-N 3.31Å
77K96.3Very high94.7Very high117 Ų11757.4 Ų57.451%0.50930%0.3SS..THydrogen-bonded Turntrans-71.6-24177-55.8-55.1-178.2177.40112.8V74 A75 D79 F82V74-K77 VanDerWaalsContact O-CB 3.26Å; V74-K77 WeakPolarHBondContact O-CB 3.34Å; V74-K77 WeakPolarHBondContact O-CG 3.46Å; V74-K77 PolarHBondContact O-N 2.86Å; A75-K77 PolarHBondContact O-N 2.88Å; K77-D79 PolarHBondContact O-N 3.2Å; K77-F82 HydrophobicContact CB-CB 4.35Å; K77-F82 HydrophobicContact CB-CD1 4.45Å; K77-F82 HydrophobicContact CB-CD2 4.2Å; K77-F82 HydrophobicContact CB-CG 4.06Å; K77-F82 HydrophobicContact CD-CE2 4.39Å; K77-F82 HydrophobicContact CD-CZ 4.4Å; K77-F82 HydrophobicContact CG-CD1 3.8Å; K77-F82 HydrophobicContact CG-CD2 3.94Å; K77-F82 HydrophobicContact CG-CE1 3.95Å; K77-F82 HydrophobicContact CG-CE2 4.05Å; K77-F82 HydrophobicContact CG-CG 3.82Å; K77-F82 HydrophobicContact CG-CZ 4.07Å
78C95.8Very high94.4Very high51 Ų5165 Ų6535%0.34533%0.333SS..  trans5537.4-177.2-70.40000113.3A75 N76 N150 C152A75-C78 PolarHBondContact O-N 3.07Å; N76-C78 VanDerWaalsContact C-N 3.29Å; N76-C78 PolarHBondContact O-N 3.31Å; C78-N150 PolarHBondContact SG-ND2 3.42Å; C78-C152 WeakPolarHBondContact CA-SG 3.48Å; C78-C152 HydrophobicContact CB-CB 3.68Å; C78-C152 WeakPolarHBondContact CB-SG 3.48Å; C78-C152 WeakPolarHBondContact SG-CA 3.33Å; C78-C152 WeakPolarHBondContact SG-CB 3.37Å; C78-C152 CovalentContact SG-SG 2.03Å; C78-C152 PolarHBondContact SG-SG 3.21Å
79D94.1Very high94Very high70 Ų7068.4 Ų68.437%0.37435%0.349SS..  trans-127.9125.4177.3179.32.3000108.7K77 N81 F82K77-D79 PolarHBondContact O-N 3.2Å; D79-N81 PolarHBondContact O-N 2.91Å; D79-N81 PolarHBondContact OD1-N 3.03Å; D79-F82 HydrophobicContact CB-CB 4.07Å; D79-F82 PolarHBondContact O-N 2.98Å
80L91.9Very high93.7Very high82 Ų8265.2 Ų65.243%0.42933%0.332SS..THydrogen-bonded Turntrans-67.8-21.7-178-79.8173.8000112.9V100 E102 M158L80-V100 HydrophobicContact CD2-CG1 4Å; L80-E102 HydrophobicContact CD1-CB 4.25Å; L80-E102 HydrophobicContact CD2-CB 3.82Å; L80-E102 HydrophobicContact CG-CB 4.28Å; L80-M158 HydrophobicContact CD2-CE 3.9Å; L80-M158 HydrophobicContact CD2-SD 4.02Å; L80-M158 HydrophobicContact CG-CE 4.02Å
81N92.4Very high93.4Very high136 Ų13672.3 Ų72.373%0.72737%0.365SS*.THydrogen-bonded Turntrans-105.311.3-175.4-49.3-65.6000112.2D79 D83D79-N81 PolarHBondContact O-N 2.91Å; D79-N81 PolarHBondContact OD1-N 3.03Å; N81-D83 PolarHBondContact O-N 3.04Å
82F91.1Very high93.1Very high70 Ų7079.4 Ų79.431%0.30740%0.398SS..  trans-80.9116.7-179.1-164.4-85000110V74 K77 D79 V85 Q98V74-F82 HydrophobicContact CB-CD1 4.41Å; V74-F82 HydrophobicContact CG1-CB 4.38Å; V74-F82 HydrophobicContact CG1-CD1 4.07Å; V74-F82 WeakPolarHBondContact CG1-O 3.28Å; V74-F82 HydrophobicContact CG2-CD1 4.2Å; K77-F82 HydrophobicContact CB-CB 4.35Å; K77-F82 HydrophobicContact CB-CD1 4.45Å; K77-F82 HydrophobicContact CB-CD2 4.2Å; K77-F82 HydrophobicContact CB-CG 4.06Å; K77-F82 HydrophobicContact CD-CE2 4.39Å; K77-F82 HydrophobicContact CD-CZ 4.4Å; K77-F82 HydrophobicContact CG-CD1 3.8Å; K77-F82 HydrophobicContact CG-CD2 3.94Å; K77-F82 HydrophobicContact CG-CE1 3.95Å; K77-F82 HydrophobicContact CG-CE2 4.05Å; K77-F82 HydrophobicContact CG-CG 3.82Å; K77-F82 HydrophobicContact CG-CZ 4.07Å; D79-F82 HydrophobicContact CB-CB 4.07Å; D79-F82 PolarHBondContact O-N 2.98Å; F82-V85 HydrophobicContact CE1-CG2 3.73Å; F82-V85 HydrophobicContact CZ-CG2 4.46Å; F82-Q98 PolarHBondContact O-OE1 2.9Å
83D92.4Very high93Very high127 Ų12779 Ų7968%0.67940%0.396SS*.  trans-68.3-178.5178-67.7-43.9000112.8V74 N81 V85V74-D83 WeakPolarHBondContact CG2-O 3.36Å; N81-D83 PolarHBondContact O-N 3.04Å; D83-V85 PolarHBondContact O-N 3.41Å
84L89.1Confident92.7Very high60 Ų6084.5 Ų84.531%0.31442%0.422SS..PPolyproline II helixtrans-50.1137.4172.9-63.4170.9000111.7N70 N86 I96 N162N70-L84 WeakPolarHBondContact OD1-CD2 3.49Å; L84-N86 PolarHBondContact O-N 3.46Å; L84-I96 HydrophobicContact CD1-CB 3.95Å; L84-I96 HydrophobicContact CD1-CD1 4.48Å; L84-I96 HydrophobicContact CD1-CG2 3.77Å; L84-I96 HydrophobicContact CD2-CG2 3.82Å; L84-I96 HydrophobicContact CG-CG2 4.46Å; L84-N162 WeakPolarHBondContact CD2-ND2 3.39Å; L84-N162 WeakPolarHBondContact CD2-OD1 3.41Å
85V88.7Confident92.6Very high26 Ų2686.2 Ų86.216%0.15843%0.434CS..PPolyproline II helixtrans-70.4126.4165.7175.20000107.9N70 Q73 V74 F82 D83 D87N70-V85 PolarHBondContact ND2-O 3.47Å; Q73-V85 HydrophobicContact CB-CB 4.4Å; Q73-V85 HydrophobicContact CB-CG2 3.78Å; V74-V85 HydrophobicContact CG2-CG2 4.07Å; F82-V85 HydrophobicContact CE1-CG2 3.73Å; F82-V85 HydrophobicContact CZ-CG2 4.46Å; D83-V85 PolarHBondContact O-N 3.41Å; V85-D87 PolarHBondContact O-N 3.43Å
86N87.7Confident92.6Very high149 Ų14988 Ų8880%0.79744%0.443SS*.PPolyproline II helixtrans-61.6122.2176.3-171.70.2000110.1L84L84-N86 PolarHBondContact O-N 3.46Å
87D89.2Confident92.7Very high37 Ų3784.4 Ų84.420%0.19843%0.426CS..  trans-149.8125.2-179.6-177.2-21.6000108V85 L89 L90V85-D87 PolarHBondContact O-N 3.43Å; D87-L89 PolarHBondContact O-N 3.15Å; D87-L89 VanDerWaalsContact O-N 3.12Å; D87-L89 WeakPolarHBondContact OD1-CB 3.26Å; D87-L89 WeakPolarHBondContact OD1-CG 3.36Å; D87-L89 PolarHBondContact OD1-N 2.7Å; D87-L90 HydrophobicContact CB-CD1 4.46Å; D87-L90 HydrophobicContact CB-CG 4.17Å; D87-L90 WeakPolarHBondContact O-CB 3.43Å; D87-L90 PolarHBondContact O-N 2.83Å
88K91.1Very high92.8Very high159 Ų15981.2 Ų81.269%0.69141%0.412SS*.G310 helixtrans-58.4-26.8-178.8-66.7-173.5178-172.50112.7L90 E91K88-L90 PolarHBondContact O-N 2.96Å; K88-E91 WeakPolarHBondContact O-CB 3.39Å; K88-E91 WeakPolarHBondContact O-CG 3.48Å; K88-E91 PolarHBondContact O-N 3.35Å; K88-E91 VanDerWaalsContact O-N 3.09Å
89L91.9Very high92.9Very high82 Ų8279 Ų7943%0.42940%0.397SS..G310 helixtrans-63.5-23.5176.6-64.6176.5000112I66 D87 E91 H92I66-L89 HydrophobicContact CD1-CB 4.3Å; I66-L89 HydrophobicContact CG1-CD1 4.48Å; I66-L89 HydrophobicContact CG2-CB 3.58Å; I66-L89 HydrophobicContact CG2-CD1 4.49Å; D87-L89 PolarHBondContact O-N 3.15Å; D87-L89 VanDerWaalsContact O-N 3.12Å; D87-L89 WeakPolarHBondContact OD1-CB 3.26Å; D87-L89 WeakPolarHBondContact OD1-CG 3.36Å; D87-L89 PolarHBondContact OD1-N 2.7Å; L89-E91 VanDerWaalsContact C-N 3.27Å; L89-E91 PolarHBondContact O-N 3Å; L89-H92 PolarHBondContact O-ND1 3.35Å
90L91.7Very high93.1Very high18 Ų1877 Ų779%0.09439%0.388CS..G310 helixtrans-70.6-20.2175.6-62.8-173.9000113.7I66 L67 N70 D87 K88 H92 F93 I96I66-L90 HydrophobicContact CG2-CD2 3.95Å; L67-L90 HydrophobicContact CD2-CD2 4.11Å; N70-L90 HydrophobicContact CB-CD2 4.26Å; N70-L90 WeakPolarHBondContact ND2-CD1 3.38Å; D87-L90 HydrophobicContact CB-CD1 4.46Å; D87-L90 HydrophobicContact CB-CG 4.17Å; D87-L90 WeakPolarHBondContact O-CB 3.43Å; D87-L90 PolarHBondContact O-N 2.83Å; K88-L90 PolarHBondContact O-N 2.96Å; L90-H92 PolarHBondContact O-N 3.09Å; L90-H92 VanDerWaalsContact O-N 3.14Å; L90-F93 HydrophobicContact CD2-CD2 4.33Å; L90-F93 HydrophobicContact CD2-CE2 4.27Å; L90-F93 WeakPolarHBondContact O-CD2 3.47Å; L90-F93 PolarHBondContact O-N 3.35Å; L90-F93 VanDerWaalsContact O-N 3.1Å; L90-I96 HydrophobicContact CB-CD1 3.59Å; L90-I96 HydrophobicContact CD1-CD1 3.96Å; L90-I96 HydrophobicContact CD2-CD1 3.74Å; L90-I96 HydrophobicContact CG-CD1 3.95Å
91E91.6Very high93.3Very high149 Ų14973.7 Ų73.770%0.69637%0.372SS*.G310 helixtrans-66-14179.2-61.7173.7-166.600112.8K88 L89 F93K88-E91 WeakPolarHBondContact O-CB 3.39Å; K88-E91 WeakPolarHBondContact O-CG 3.48Å; K88-E91 PolarHBondContact O-N 3.35Å; K88-E91 VanDerWaalsContact O-N 3.09Å; L89-E91 VanDerWaalsContact C-N 3.27Å; L89-E91 PolarHBondContact O-N 3Å; E91-F93 VanDerWaalsContact C-N 3.26Å; E91-F93 PolarHBondContact O-N 3.03Å
92H92.7Very high93.5Very high149 Ų14970.5 Ų70.569%0.6935%0.353SS*.G310 helixtrans-76.7-11.4174.7-60.190.1000113.5L89 L90L89-H92 PolarHBondContact O-ND1 3.35Å; L90-H92 PolarHBondContact O-N 3.09Å; L90-H92 VanDerWaalsContact O-N 3.14Å
93F95.4Very high93.7Very high29 Ų2967.5 Ų67.513%0.12734%0.34CS..SBendtrans-96.6136.4178.6-62.4-76000110.2N64 I66 L67 L90 E91 S95 I96 S164N64-F93 WeakPolarHBondContact OD1-CZ 3.44Å; I66-F93 HydrophobicContact CB-CE2 4.27Å; I66-F93 HydrophobicContact CB-CZ 4.38Å; I66-F93 HydrophobicContact CG2-CE2 3.99Å; L67-F93 HydrophobicContact CD1-CE1 4.12Å; L67-F93 HydrophobicContact CD1-CZ 4.27Å; L67-F93 HydrophobicContact CD2-CD2 3.94Å; L67-F93 HydrophobicContact CD2-CE1 4.29Å; L67-F93 HydrophobicContact CD2-CE2 3.7Å; L67-F93 HydrophobicContact CD2-CG 4.35Å; L67-F93 HydrophobicContact CD2-CZ 3.89Å; L67-F93 HydrophobicContact CG-CE1 4.09Å; L67-F93 HydrophobicContact CG-CE2 4.03Å; L67-F93 HydrophobicContact CG-CZ 3.72Å; L90-F93 HydrophobicContact CD2-CD2 4.33Å; L90-F93 HydrophobicContact CD2-CE2 4.27Å; L90-F93 WeakPolarHBondContact O-CD2 3.47Å; L90-F93 PolarHBondContact O-N 3.35Å; L90-F93 VanDerWaalsContact O-N 3.1Å; E91-F93 VanDerWaalsContact C-N 3.26Å; E91-F93 PolarHBondContact O-N 3.03Å; F93-S95 VanDerWaalsContact C-N 3.3Å; F93-S95 PolarHBondContact O-N 2.85Å; F93-I96 HydrophobicContact CB-CD1 4.11Å; F93-I96 HydrophobicContact CB-CG1 3.82Å; F93-I96 HydrophobicContact CD2-CD1 4.05Å; F93-I96 HydrophobicContact CD2-CG1 4.4Å; F93-I96 HydrophobicContact CG-CD1 4.4Å; F93-I96 HydrophobicContact CG-CG1 4.28Å; F93-S164 WeakPolarHBondContact CB-OG 3.37Å; F93-S164 WeakPolarHBondContact CD1-OG 3.32Å
94E91.6Very high93.9Very high180 Ų18067 Ų6784%0.84134%0.338SS*.SBendtrans-57.4-44.8177.2180-177.3172.900111.9
95S96.6Very high94.2Very high36 Ų3667.5 Ų67.525%0.25234%0.343SS..  trans-156.1157.5173.263.50000110.1F93 S164 S166F93-S95 VanDerWaalsContact C-N 3.3Å; F93-S95 PolarHBondContact O-N 2.85Å; S95-S164 WeakPolarHBondContact O-CB 3.41Å; S95-S164 PolarHBondContact O-OG 2.89Å; S95-S166 WeakPolarHBondContact CB-OG 3.24Å; S95-S166 PolarHBondContact OG-N 1.99Å; S95-S166 PolarHBondContact OG-OG 2.97Å
96I97.7Very high94.6Very high37 Ų3767.1 Ų67.119%0.1934%0.34CS..  trans-130.8120.2-179.9-60163.6000109.8L67 L84 L90 F93 N162 Y163L67-I96 HydrophobicContact CD2-CD1 4.24Å; L67-I96 HydrophobicContact CD2-CG1 4.22Å; L67-I96 HydrophobicContact CD2-CG2 4.32Å; L84-I96 HydrophobicContact CD1-CB 3.95Å; L84-I96 HydrophobicContact CD1-CD1 4.48Å; L84-I96 HydrophobicContact CD1-CG2 3.77Å; L84-I96 HydrophobicContact CD2-CG2 3.82Å; L84-I96 HydrophobicContact CG-CG2 4.46Å; L90-I96 HydrophobicContact CB-CD1 3.59Å; L90-I96 HydrophobicContact CD1-CD1 3.96Å; L90-I96 HydrophobicContact CD2-CD1 3.74Å; L90-I96 HydrophobicContact CG-CD1 3.95Å; F93-I96 HydrophobicContact CB-CD1 4.11Å; F93-I96 HydrophobicContact CB-CG1 3.82Å; F93-I96 HydrophobicContact CD2-CD1 4.05Å; F93-I96 HydrophobicContact CD2-CG1 4.4Å; F93-I96 HydrophobicContact CG-CD1 4.4Å; F93-I96 HydrophobicContact CG-CG1 4.28Å; I96-N162 HydrophobicContact CG2-CB 4.12Å; I96-Y163 VanDerWaalsContact CA-O 3.26Å; I96-Y163 WeakPolarHBondContact CA-O 3.33Å
97G97.3Very high95.1Very high9 Ų966 Ų669%0.09333%0.328CS..EExtended strand (participates in β ladder)trans-96.7156.4169.800000110.6N162 Y163 S166G97-N162 CarbonylContact O-C 3.52Å; G97-N162 VanDerWaalsContact O-CA 3.26Å; G97-N162 WeakPolarHBondContact O-CA 3.22Å; G97-Y163 PolarHBondContact N-O 3.2Å; G97-Y163 PolarHBondContact O-N 3.04Å; G97-S166 VanDerWaalsContact N-CB 3.25Å
98Q98.2Very high95.6Very high49 Ų4967.1 Ų67.123%0.22933%0.334CS..EExtended strand (participates in β ladder)trans-137.1129.9179-177.2176.789.900111.2F82 V100 V160 C161 N162F82-Q98 PolarHBondContact O-OE1 2.9Å; Q98-V100 HydrophobicContact CG-CG2 3.69Å; Q98-V100 VanDerWaalsContact OE1-CG2 3.29Å; Q98-V160 HydrophobicContact CG-CG1 3.87Å; Q98-C161 WeakPolarHBondContact CA-O 3.38Å; Q98-N162 WeakPolarHBondContact CG-OD1 3.41Å; Q98-N162 PolarHBondContact NE2-OD1 2.77Å; Q98-N162 VanDerWaalsContact NE2-OD1 3.09Å
99N98.6Very high95.9Very high5 Ų559.7 Ų59.73%0.02730%0.302CS..EExtended strand (participates in β ladder)trans-108.9134165-67.92.5000108.7W113 N133 V160 C161 Y163N99-W113 VanDerWaalsContact C-CZ2 3.43Å; N99-W113 HydrophobicContact CB-CD2 3.92Å; N99-W113 HydrophobicContact CB-CE3 3.94Å; N99-W113 HydrophobicContact CB-CH2 3.51Å; N99-W113 HydrophobicContact CB-CZ2 3.47Å; N99-W113 VanDerWaalsContact CB-CZ2 3.47Å; N99-W113 HydrophobicContact CB-CZ3 3.72Å; N99-W113 WeakPolarHBondContact O-CH2 3.43Å; N99-N133 WeakPolarHBondContact CB-OD1 3.42Å; N99-N133 WeakPolarHBondContact ND2-CA 3.21Å; N99-N133 PolarHBondContact ND2-O 3.15Å; N99-N133 VanDerWaalsContact ND2-O 3.16Å; N99-N133 PolarHBondContact OD1-OD1 3.39Å; N99-V160 WeakPolarHBondContact O-CA 3.33Å; N99-C161 PolarHBondContact N-O 3.47Å; N99-C161 PolarHBondContact O-N 3.1Å; N99-Y163 HydrophobicContact CB-CE2 3.89Å; N99-Y163 PolarHBondContact ND2-OH 3.38Å
100V98.2Very high96.2Very high29 Ų2955.8 Ų55.818%0.17628%0.282CS..EExtended strand (participates in β ladder)trans-126.4134.1179.4-1710000110L80 Q98 W113 M158 V160L80-V100 HydrophobicContact CD2-CG1 4Å; Q98-V100 HydrophobicContact CG-CG2 3.69Å; Q98-V100 VanDerWaalsContact OE1-CG2 3.29Å; V100-W113 PolarHBondContact O-NE1 3.36Å; V100-M158 HydrophobicContact CG1-SD 3.49Å; V100-M158 WeakPolarHBondContact CG1-SD 3.27Å; V100-V160 HydrophobicContact CG1-CG2 4.13Å; V100-V160 HydrophobicContact CG2-CG1 4.42Å; V100-V160 HydrophobicContact CG2-CG2 4.39Å
101A97.1Very high96.6Very high11 Ų1158 Ų589%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-140.9137.9179.800000111.8A109 W113 M158 I159A101-A109 HydrophobicContact CB-CB 3.97Å; A101-W113 HydrophobicContact CB-CZ2 3.5Å; A101-W113 VanDerWaalsContact CB-CZ2 3.5Å; A101-M158 CarbonylContact O-C 3.54Å; A101-M158 WeakPolarHBondContact O-CA 2.95Å; A101-I159 PolarHBondContact N-O 3.16Å; A101-I159 PolarHBondContact O-N 2.89Å
102E95.8Very high96.9Very high70 Ų7054.4 Ų54.433%0.32728%0.277SS..EExtended strand (participates in β ladder)trans-100.5118161.3-166.8-161.5-149.400107.9L80 K156 L157L80-E102 HydrophobicContact CD1-CB 4.25Å; L80-E102 HydrophobicContact CD2-CB 3.82Å; L80-E102 HydrophobicContact CG-CB 4.28Å; E102-K156 HydrophobicContact CG-CB 3.7Å; E102-K156 HydrophobicContact CG-CD 3.6Å; E102-K156 HydrophobicContact CG-CG 4.35Å; E102-K156 WeakPolarHBondContact OE1-CD 3.39Å; E102-K156 VanDerWaalsContact OE2-CD 3.27Å; E102-K156 WeakPolarHBondContact OE2-CD 3.43Å; E102-K156 IonicContact OE2-NZ 3.95Å; E102-K156 PolarHBondContact OE2-NZ 3.01Å; E102-L157 CarbonylContact C-O 3.53Å; E102-L157 WeakPolarHBondContact CA-O 3.29Å
103S96.1Very high97.2Very high7 Ų747.8 Ų47.85%0.04925%0.246CC..EExtended strand (participates in β ladder)trans-151155.7-176.5-1540000113.8T105 N108 L157S103-T105 VanDerWaalsContact C-N 3.33Å; S103-N108 PolarHBondContact OG-ND2 3.29Å; S103-L157 PolarHBondContact N-O 3.42Å; S103-L157 WeakPolarHBondContact O-CA 3.37Å; S103-L157 WeakPolarHBondContact O-CB 3.18Å; S103-L157 PolarHBondContact O-N 3.09Å
104D95.1Very high97.3Very high116 Ų11647 Ų4762%0.6224%0.243SC*.SBendtrans-70.5-32.1177.1-63.8-40.2000112.1
105T96.3Very high97.7Very high71 Ų7144.2 Ų44.244%0.43622%0.224SC..SBendtrans-139.6154.5-179.172.30000111.9S103 K107 N108 A109S103-T105 VanDerWaalsContact C-N 3.33Å; T105-K107 VanDerWaalsContact C-N 3.33Å; T105-K107 PolarHBondContact O-N 2.99Å; T105-N108 PolarHBondContact O-N 2.96Å; T105-N108 VanDerWaalsContact OG1-CB 3.27Å; T105-N108 WeakPolarHBondContact OG1-CB 3.49Å; T105-N108 PolarHBondContact OG1-N 3.32Å; T105-N108 VanDerWaalsContact OG1-N 3.13Å; T105-A109 PolarHBondContact O-N 2.75Å; T105-A109 VanDerWaalsContact O-N 3.12Å
106I98Very high97.8Very high17 Ų1743.7 Ų43.79%0.08722%0.218CC..Hα-helixtrans-58.2-46.5173.4-71165.8000111.1K29 T32 I33 L36 N108 A109 M110 L149 L157 I159K29-I106 HydrophobicContact CB-CD1 3.53Å; K29-I106 HydrophobicContact CD-CD1 4.23Å; K29-I106 HydrophobicContact CG-CD1 3.69Å; T32-I106 HydrophobicContact CG2-CG2 4.13Å; I33-I106 HydrophobicContact CD1-CD1 4.44Å; I33-I106 HydrophobicContact CD1-CG1 4.42Å; I33-I106 HydrophobicContact CD1-CG2 4.41Å; I33-I106 HydrophobicContact CG1-CD1 4.38Å; I33-I106 HydrophobicContact CG1-CG1 4.33Å; I33-I106 HydrophobicContact CG1-CG2 3.47Å; I33-I106 VanDerWaalsContact CG1-CG2 3.47Å; L36-I106 HydrophobicContact CD1-CG2 4.05Å; I106-N108 VanDerWaalsContact C-N 3.32Å; I106-N108 PolarHBondContact O-N 3.15Å; I106-A109 PolarHBondContact O-N 2.95Å; I106-M110 HydrophobicContact CG2-CG 4.35Å; I106-M110 WeakPolarHBondContact O-CG 3.37Å; I106-M110 PolarHBondContact O-N 2.98Å; I106-L149 HydrophobicContact CD1-CD2 4.14Å; I106-L157 HydrophobicContact CG1-CD1 4.2Å; I106-I159 HydrophobicContact CB-CD1 4.41Å; I106-I159 HydrophobicContact CG1-CD1 3.91Å
107K98.2Very high97.8Very high125 Ų12543.2 Ų43.254%0.54321%0.214SC..Hα-helixtrans-56.8-47.7-180-178.2178.9178.4-70.90110.9T105 A109 M110 E111T105-K107 VanDerWaalsContact C-N 3.33Å; T105-K107 PolarHBondContact O-N 2.99Å; K107-A109 PolarHBondContact O-N 3.47Å; K107-M110 PolarHBondContact O-N 3.46Å; K107-E111 IonicContact NZ-OE2 2.75Å; K107-E111 PolarHBondContact NZ-OE2 3.37Å; K107-E111 WeakPolarHBondContact O-CB 3.23Å; K107-E111 PolarHBondContact O-N 3.01Å
108N98.1Very high97.9Very high62 Ų6247.6 Ų47.633%0.33223%0.232SC..Hα-helixtrans-64.9-37.6-179.2-173.381.6000112.5S103 T105 I106 N112S103-N108 PolarHBondContact OG-ND2 3.29Å; T105-N108 PolarHBondContact O-N 2.96Å; T105-N108 VanDerWaalsContact OG1-CB 3.27Å; T105-N108 WeakPolarHBondContact OG1-CB 3.49Å; T105-N108 PolarHBondContact OG1-N 3.32Å; T105-N108 VanDerWaalsContact OG1-N 3.13Å; I106-N108 VanDerWaalsContact C-N 3.32Å; I106-N108 PolarHBondContact O-N 3.15Å; N108-N112 PolarHBondContact ND2-ND2 3.19Å; N108-N112 VanDerWaalsContact O-CB 3.28Å; N108-N112 WeakPolarHBondContact O-CB 3.49Å; N108-N112 VanDerWaalsContact O-CG 3.24Å; N108-N112 PolarHBondContact O-N 3.33Å
109A98.2Very high97.9Very high2 Ų248.2 Ų48.22%0.01724%0.237CC..Hα-helixtrans-62-50.4174.500000112.1A101 T105 I106 K107 E111 N112 W113 I159A101-A109 HydrophobicContact CB-CB 3.97Å; T105-A109 PolarHBondContact O-N 2.75Å; T105-A109 VanDerWaalsContact O-N 3.12Å; I106-A109 PolarHBondContact O-N 2.95Å; K107-A109 PolarHBondContact O-N 3.47Å; A109-E111 VanDerWaalsContact C-N 3.32Å; A109-E111 PolarHBondContact O-N 2.93Å; A109-N112 PolarHBondContact O-N 3.21Å; A109-W113 PolarHBondContact O-N 3.43Å; A109-W113 VanDerWaalsContact O-N 3.07Å; A109-I159 HydrophobicContact CB-CD1 3.62Å
110M98.8Very high97.8Very high0 Ų048.3 Ų48.30%024%0.237CC..Hα-helixtrans-64.3-39.8-179.7-58-57.393.800111.6I33 L36 H37 Y40 I106 K107 W113 F114 I159I33-M110 HydrophobicContact CG2-CE 4.49Å; I33-M110 HydrophobicContact CG2-SD 3.84Å; L36-M110 HydrophobicContact CB-CB 4.23Å; L36-M110 HydrophobicContact CB-CG 3.94Å; L36-M110 HydrophobicContact CD1-CB 4.08Å; L36-M110 HydrophobicContact CD1-CG 3.66Å; L36-M110 HydrophobicContact CG-CG 4.45Å; H37-M110 PolarHBondContact CE1-SD 3.01Å; Y40-M110 HydrophobicContact CE2-CB 3.84Å; I106-M110 HydrophobicContact CG2-CG 4.35Å; I106-M110 WeakPolarHBondContact O-CG 3.37Å; I106-M110 PolarHBondContact O-N 2.98Å; K107-M110 PolarHBondContact O-N 3.46Å; M110-W113 HydrophobicContact CE-CD2 4.32Å; M110-W113 HydrophobicContact CE-CE3 3.48Å; M110-W113 VanDerWaalsContact CE-CE3 3.48Å; M110-W113 HydrophobicContact CE-CH2 3.81Å; M110-W113 HydrophobicContact CE-CZ3 3.2Å; M110-W113 HydrophobicContact SD-CE3 4.07Å; M110-W113 HydrophobicContact SD-CZ3 3.97Å; M110-F114 WeakPolarHBondContact O-CB 3.37Å; M110-F114 PolarHBondContact O-N 3.39Å; M110-I159 HydrophobicContact CE-CG2 3.98Å
111E98.5Very high97.8Very high66 Ų6650.7 Ų50.731%0.30825%0.249SC..Hα-helixtrans-65.3-41.7177.4-173.9169.7174.400111.6Y40 K107 A109 F114 R115Y40-E111 WeakPolarHBondContact OH-CA 3.35Å; K107-E111 IonicContact NZ-OE2 2.75Å; K107-E111 PolarHBondContact NZ-OE2 3.37Å; K107-E111 WeakPolarHBondContact O-CB 3.23Å; K107-E111 PolarHBondContact O-N 3.01Å; A109-E111 VanDerWaalsContact C-N 3.32Å; A109-E111 PolarHBondContact O-N 2.93Å; E111-F114 PolarHBondContact O-N 3.34Å; E111-R115 HydrophobicContact CG-CG 4.31Å; E111-R115 VanDerWaalsContact O-CB 3.22Å; E111-R115 WeakPolarHBondContact O-CB 3.47Å; E111-R115 WeakPolarHBondContact O-CG 3.26Å; E111-R115 PolarHBondContact O-N 2.98Å
112N98.6Very high97.9Very high73 Ų7350.6 Ų50.639%0.3925%0.246SC..Hα-helixtrans-64.6-46177.5-81-13.2000112.6N108 A109 F114 R115N108-N112 PolarHBondContact ND2-ND2 3.19Å; N108-N112 VanDerWaalsContact O-CB 3.28Å; N108-N112 WeakPolarHBondContact O-CB 3.49Å; N108-N112 VanDerWaalsContact O-CG 3.24Å; N108-N112 PolarHBondContact O-N 3.33Å; A109-N112 PolarHBondContact O-N 3.21Å; N112-F114 VanDerWaalsContact C-N 3.34Å; N112-R115 PolarHBondContact O-N 3.36Å
113W98.8Very high97.9Very high9 Ų953.2 Ų53.23%0.03426%0.258CS..Hα-helixtrans-59-46.7173.5-72.1-20.1000111.5N99 V100 A101 A109 M110 R115 E116 N133 Y134 M137 I159 C161N99-W113 VanDerWaalsContact C-CZ2 3.43Å; N99-W113 HydrophobicContact CB-CD2 3.92Å; N99-W113 HydrophobicContact CB-CE3 3.94Å; N99-W113 HydrophobicContact CB-CH2 3.51Å; N99-W113 HydrophobicContact CB-CZ2 3.47Å; N99-W113 VanDerWaalsContact CB-CZ2 3.47Å; N99-W113 HydrophobicContact CB-CZ3 3.72Å; N99-W113 WeakPolarHBondContact O-CH2 3.43Å; V100-W113 PolarHBondContact O-NE1 3.36Å; A101-W113 HydrophobicContact CB-CZ2 3.5Å; A101-W113 VanDerWaalsContact CB-CZ2 3.5Å; A109-W113 PolarHBondContact O-N 3.43Å; A109-W113 VanDerWaalsContact O-N 3.07Å; M110-W113 HydrophobicContact CE-CD2 4.32Å; M110-W113 HydrophobicContact CE-CE3 3.48Å; M110-W113 VanDerWaalsContact CE-CE3 3.48Å; M110-W113 HydrophobicContact CE-CH2 3.81Å; M110-W113 HydrophobicContact CE-CZ3 3.2Å; M110-W113 HydrophobicContact SD-CE3 4.07Å; M110-W113 HydrophobicContact SD-CZ3 3.97Å; W113-R115 PolarHBondContact O-N 3.4Å; W113-E116 WeakPolarHBondContact O-CB 3.13Å; W113-E116 WeakPolarHBondContact O-CG 3.48Å; W113-E116 PolarHBondContact O-N 2.84Å; W113-N133 HydrophobicContact CB-CB 3.71Å; W113-N133 VanDerWaalsContact CD1-CB 3.49Å; W113-N133 HydrophobicContact CD2-CB 4.43Å; W113-N133 HydrophobicContact CG-CB 3.64Å; W113-Y134 WeakPolarHBondContact O-CA 3.48Å; W113-Y134 WeakPolarHBondContact O-CB 3.32Å; W113-Y134 PolarHBondContact O-N 3.26Å; W113-M137 HydrophobicContact CB-SD 3.48Å; W113-M137 WeakPolarHBondContact CB-SD 3.45Å; W113-M137 HydrophobicContact CE3-SD 4.3Å; W113-I159 HydrophobicContact CH2-CG2 4.33Å; W113-C161 HydrophobicContact CH2-CB 4.32Å; W113-C161 HydrophobicContact CZ3-CB 4.21Å
114F98.8Very high97.9Very high14 Ų1456.6 Ų56.66%0.06128%0.279CS..Hα-helixtrans-66.4-39.9-178.6-170.4-106.2000112.4Y40 S43 I44 V49 M110 E111 N112 E116 Y117 Y134 M137 V138Y40-F114 HydrophobicContact CD1-CB 4Å; Y40-F114 AromaticContact CD1-CD1 3.3Å; Y40-F114 HydrophobicContact CD1-CD1 3.3Å; Y40-F114 AromaticContact CD1-CD2 3.68Å; Y40-F114 HydrophobicContact CD1-CD2 3.68Å; Y40-F114 AromaticContact CD1-CE1 3.51Å; Y40-F114 HydrophobicContact CD1-CE1 3.51Å; Y40-F114 AromaticContact CD1-CE2 3.88Å; Y40-F114 HydrophobicContact CD1-CE2 3.88Å; Y40-F114 AromaticContact CD1-CG 3.35Å; Y40-F114 HydrophobicContact CD1-CG 3.35Å; Y40-F114 AromaticContact CD1-CZ 3.77Å; Y40-F114 HydrophobicContact CD1-CZ 3.77Å; Y40-F114 HydrophobicContact CD2-CB 4.27Å; Y40-F114 HydrophobicContact CD2-CD2 4.42Å; Y40-F114 HydrophobicContact CD2-CG 4.31Å; Y40-F114 HydrophobicContact CE1-CB 4Å; Y40-F114 AromaticContact CE1-CD1 3.47Å; Y40-F114 HydrophobicContact CE1-CD1 3.47Å; Y40-F114 VanDerWaalsContact CE1-CD1 3.47Å; Y40-F114 HydrophobicContact CE1-CD2 4.47Å; Y40-F114 HydrophobicContact CE1-CE1 4Å; Y40-F114 AromaticContact CE1-CG 3.72Å; Y40-F114 HydrophobicContact CE1-CG 3.72Å; Y40-F114 HydrophobicContact CE2-CB 4.29Å; Y40-F114 HydrophobicContact CG-CB 4.14Å; Y40-F114 HydrophobicContact CG-CD1 4.12Å; Y40-F114 AromaticContact CG-CD2 3.65Å; Y40-F114 HydrophobicContact CG-CD2 3.65Å; Y40-F114 HydrophobicContact CG-CE1 4.42Å; Y40-F114 AromaticContact CG-CE2 3.99Å; Y40-F114 HydrophobicContact CG-CE2 3.99Å; Y40-F114 AromaticContact CG-CG 3.69Å; Y40-F114 HydrophobicContact CG-CG 3.69Å; Y40-F114 HydrophobicContact CG-CZ 4.33Å; S43-F114 WeakPolarHBondContact OG-CZ 3.36Å; I44-F114 HydrophobicContact CD1-CZ 4.35Å; I44-F114 HydrophobicContact CG1-CE2 4.42Å; I44-F114 HydrophobicContact CG1-CZ 4.37Å; V49-F114 HydrophobicContact CG1-CE1 4.32Å; V49-F114 HydrophobicContact CG1-CZ 4.3Å; V49-F114 HydrophobicContact CG2-CE1 3.98Å; V49-F114 HydrophobicContact CG2-CZ 3.62Å; M110-F114 WeakPolarHBondContact O-CB 3.37Å; M110-F114 PolarHBondContact O-N 3.39Å; E111-F114 PolarHBondContact O-N 3.34Å; N112-F114 VanDerWaalsContact C-N 3.34Å; F114-E116 PolarHBondContact O-N 2.61Å; F114-Y117 HydrophobicContact CD1-CD1 4.35Å; F114-Y117 HydrophobicContact CE1-CD1 4.37Å; F114-Y117 WeakPolarHBondContact O-CD1 3.49Å; F114-Y117 PolarHBondContact O-N 3.18Å; F114-Y134 AromaticContact CD2-CD2 3.94Å; F114-Y134 HydrophobicContact CD2-CD2 3.94Å; F114-Y134 HydrophobicContact CD2-CE2 4.19Å; F114-Y134 HydrophobicContact CE2-CD2 4.09Å; F114-Y134 AromaticContact CE2-CE2 3.86Å; F114-Y134 HydrophobicContact CE2-CE2 3.86Å; F114-Y134 HydrophobicContact CZ-CE2 4.38Å; F114-Y134 WeakPolarHBondContact O-CD2 3.21Å; F114-M137 HydrophobicContact CB-CE 4.18Å; F114-M137 HydrophobicContact CB-SD 4.08Å; F114-M137 HydrophobicContact CD2-CE 4.41Å; F114-V138 HydrophobicContact CD2-CG1 4.32Å; F114-V138 HydrophobicContact CE2-CG1 3.76Å
115R98.4Very high98Very high120 Ų12053.2 Ų53.245%0.45326%0.261SS..Hα-helixtrans-61.7-12.6178.9-82.6-172.566-103-8.8114.1E111 N112 W113 Y117 H118E111-R115 HydrophobicContact CG-CG 4.31Å; E111-R115 VanDerWaalsContact O-CB 3.22Å; E111-R115 WeakPolarHBondContact O-CB 3.47Å; E111-R115 WeakPolarHBondContact O-CG 3.26Å; E111-R115 PolarHBondContact O-N 2.98Å; N112-R115 PolarHBondContact O-N 3.36Å; W113-R115 PolarHBondContact O-N 3.4Å; R115-Y117 PolarHBondContact O-N 3.22Å; R115-Y117 VanDerWaalsContact O-N 3.09Å; R115-H118 WeakPolarHBondContact O-CB 3.34Å; R115-H118 PolarHBondContact O-CD2 2.87Å; R115-H118 PolarHBondContact O-N 3.09Å; R115-H118 VanDerWaalsContact O-N 3.14Å
116E98.7Very high98Very high25 Ų2556.8 Ų56.812%0.11727%0.27CS..G310 helixtrans-61.8-10.7168.9-60.8-17717600113.2W113 F114 H118 N119 Y120 S130 C131 S132 N133 Y134W113-E116 WeakPolarHBondContact O-CB 3.13Å; W113-E116 WeakPolarHBondContact O-CG 3.48Å; W113-E116 PolarHBondContact O-N 2.84Å; F114-E116 PolarHBondContact O-N 2.61Å; E116-H118 PolarHBondContact O-N 3.19Å; E116-H118 VanDerWaalsContact O-N 3.13Å; E116-N119 WeakPolarHBondContact O-CB 3.36Å; E116-N119 PolarHBondContact O-N 3.17Å; E116-Y120 PolarHBondContact O-N 3.45Å; E116-S130 WeakPolarHBondContact CB-O 3.42Å; E116-C131 WeakPolarHBondContact OE2-CA 3.38Å; E116-C131 PolarHBondContact OE2-N 2.82Å; E116-S132 PolarHBondContact OE2-N 2.98Å; E116-N133 PolarHBondContact OE1-ND2 3.48Å; E116-N133 WeakPolarHBondContact OE2-CB 3.22Å; E116-N133 PolarHBondContact OE2-N 3.02Å; E116-Y134 PolarHBondContact OE2-N 3.19Å
117Y98.5Very high97.9Very high27 Ų2758.5 Ų58.511%0.10628%0.283CS..G310 helixtrans-53.4-29.9168.286.2-95.5000112.8V49 P50 Q52 F114 R115 N119 Y120 Y134V49-Y117 HydrophobicContact CG1-CD1 4.19Å; V49-Y117 HydrophobicContact CG1-CD2 3.75Å; V49-Y117 HydrophobicContact CG1-CE1 4.35Å; V49-Y117 HydrophobicContact CG1-CE2 3.91Å; V49-Y117 HydrophobicContact CG1-CG 3.91Å; P50-Y117 VanDerWaalsContact O-CE2 3.27Å; P50-Y117 WeakPolarHBondContact O-CE2 3.48Å; Q52-Y117 HydrophobicContact CG-CD2 3.91Å; Q52-Y117 HydrophobicContact CG-CG 4.44Å; Q52-Y117 PolarHBondContact NE2-O 2.91Å; F114-Y117 HydrophobicContact CD1-CD1 4.35Å; F114-Y117 HydrophobicContact CE1-CD1 4.37Å; F114-Y117 WeakPolarHBondContact O-CD1 3.49Å; F114-Y117 PolarHBondContact O-N 3.18Å; R115-Y117 PolarHBondContact O-N 3.22Å; R115-Y117 VanDerWaalsContact O-N 3.09Å; Y117-N119 PolarHBondContact O-N 3.44Å; Y117-Y120 PolarHBondContact O-N 3.12Å; Y117-Y120 VanDerWaalsContact O-N 3.09Å; Y117-Y134 VanDerWaalsContact CB-CE2 3.41Å
118H98.4Very high97.9Very high101 Ų10159.3 Ų59.347%0.46829%0.293SS..G310 helixtrans-60.5-27.8175.1-72.6-64.6000112.8R115 E116R115-H118 WeakPolarHBondContact O-CB 3.34Å; R115-H118 PolarHBondContact O-CD2 2.87Å; R115-H118 PolarHBondContact O-N 3.09Å; R115-H118 VanDerWaalsContact O-N 3.14Å; E116-H118 PolarHBondContact O-N 3.19Å; E116-H118 VanDerWaalsContact O-N 3.13Å
119N98.3Very high97.8Very high62 Ų6259 Ų5933%0.33230%0.304SS..G310 helixtrans-92.3-10.4179.9-60-24.4000111.8E116 Y117 C127 N128 S130E116-N119 WeakPolarHBondContact O-CB 3.36Å; E116-N119 PolarHBondContact O-N 3.17Å; Y117-N119 PolarHBondContact O-N 3.44Å; N119-C127 CarbonylContact O-C 3.6Å; N119-C127 VanDerWaalsContact O-CA 3.24Å; N119-C127 WeakPolarHBondContact O-CA 3.24Å; N119-N128 WeakPolarHBondContact CB-O 3.32Å; N119-N128 PolarHBondContact O-N 2.77Å; N119-N128 PolarHBondContact OD1-O 2.89Å; N119-S130 WeakPolarHBondContact CB-O 3.45Å; N119-S130 PolarHBondContact ND2-O 3.38Å
120Y98.2Very high97.7Very high7 Ų762.6 Ų62.63%0.02733%0.33CS..EExtended strand (participates in β ladder)trans-102.1123.4-176.4-178.1-107.4000111.9Q52 E116 Y117 Y122 D125 C131 Y134 R135 P173Q52-Y120 PolarHBondContact NE2-O 2.92Å; Q52-Y120 VanDerWaalsContact NE2-O 3.08Å; E116-Y120 PolarHBondContact O-N 3.45Å; Y117-Y120 PolarHBondContact O-N 3.12Å; Y117-Y120 VanDerWaalsContact O-N 3.09Å; Y120-Y122 VanDerWaalsContact CE1-CA 3.5Å; Y120-Y122 AromaticContact CE1-CD2 3.99Å; Y120-Y122 HydrophobicContact CE1-CD2 3.99Å; Y120-Y122 HydrophobicContact CE1-CG 4.35Å; Y120-D125 WeakPolarHBondContact CE2-OD1 3.29Å; Y120-D125 PolarHBondContact OH-OD1 3.37Å; Y120-C131 HydrophobicContact CD2-CB 4.43Å; Y120-Y134 HydrophobicContact CD1-CD1 4.33Å; Y120-Y134 AromaticContact CD1-CE1 3.65Å; Y120-Y134 HydrophobicContact CD1-CE1 3.65Å; Y120-Y134 HydrophobicContact CE1-CE1 4.45Å; Y120-Y134 HydrophobicContact CG-CD1 4.28Å; Y120-Y134 HydrophobicContact CG-CE1 4.05Å; Y120-R135 HydrophobicContact CD2-CG 4.13Å; Y120-R135 HydrophobicContact CE2-CG 4.17Å; Y120-P173 HydrophobicContact CE1-CG 4.11Å; Y120-P173 WeakPolarHBondContact OH-CD 3.47Å
121N97.7Very high97.7Very high79 Ų7963.1 Ų63.142%0.42233%0.333SS..EExtended strand (participates in β ladder)trans-99.8108.8171.1-178.5-62.2000109.3E123 T124 D125 K126N121-E123 PolarHBondContact O-N 2.92Å; N121-E123 PolarHBondContact OD1-N 3.16Å; N121-T124 WeakPolarHBondContact CB-OG1 3.3Å; N121-T124 PolarHBondContact OD1-N 3.46Å; N121-T124 PolarHBondContact OD1-OG1 2.98Å; N121-D125 WeakPolarHBondContact O-CA 3.5Å; N121-D125 PolarHBondContact O-N 3.27Å; N121-K126 PolarHBondContact N-O 2.91Å; N121-K126 PolarHBondContact O-N 2.83Å
122Y97.8Very high97.6Very high10 Ų1063.4 Ų63.44%0.03934%0.343CS..THydrogen-bonded Turntrans-61.1-45-177.5-175.6-81.4000112.4P53 Y120 T124 D125 K172 Y174 I176P53-Y122 HydrophobicContact CG-CD1 3.4Å; P53-Y122 HydrophobicContact CG-CD2 3.9Å; P53-Y122 HydrophobicContact CG-CE1 3.71Å; P53-Y122 HydrophobicContact CG-CE2 4.2Å; P53-Y122 HydrophobicContact CG-CG 3.51Å; Y120-Y122 VanDerWaalsContact CE1-CA 3.5Å; Y120-Y122 AromaticContact CE1-CD2 3.99Å; Y120-Y122 HydrophobicContact CE1-CD2 3.99Å; Y120-Y122 HydrophobicContact CE1-CG 4.35Å; Y122-T124 PolarHBondContact O-N 2.9Å; Y122-D125 PolarHBondContact O-N 3.41Å; Y122-K172 HydrophobicContact CD1-CD 4.11Å; Y122-K172 HydrophobicContact CE1-CD 3.52Å; Y122-K172 HydrophobicContact CE1-CG 4.35Å; Y122-K172 HydrophobicContact CE2-CB 3.93Å; Y122-K172 HydrophobicContact CE2-CD 4.37Å; Y122-K172 HydrophobicContact CE2-CG 4.42Å; Y122-K172 WeakPolarHBondContact O-CE 3.37Å; Y122-Y174 HydrophobicContact CD2-CD2 4.43Å; Y122-Y174 HydrophobicContact CD2-CE1 4.34Å; Y122-Y174 AromaticContact CD2-CE2 3.72Å; Y122-Y174 HydrophobicContact CD2-CE2 3.72Å; Y122-Y174 AromaticContact CD2-CZ 3.64Å; Y122-Y174 HydrophobicContact CE2-CD1 4.46Å; Y122-Y174 AromaticContact CE2-CD2 3.54Å; Y122-Y174 HydrophobicContact CE2-CD2 3.54Å; Y122-Y174 HydrophobicContact CE2-CE1 4.2Å; Y122-Y174 AromaticContact CE2-CE2 3.22Å; Y122-Y174 HydrophobicContact CE2-CE2 3.22Å; Y122-Y174 HydrophobicContact CE2-CG 4.15Å; Y122-Y174 AromaticContact CE2-CZ 3.58Å; Y122-Y174 AromaticContact CZ-CE2 3.94Å; Y122-Y174 PolarHBondContact OH-O 2.77Å; Y122-I176 HydrophobicContact CD1-CD1 4.18Å; Y122-I176 HydrophobicContact CD1-CG1 4.27Å; Y122-I176 HydrophobicContact CE1-CD1 3.55Å; Y122-I176 HydrophobicContact CE1-CG1 3.31Å; Y122-I176 WeakPolarHBondContact OH-CG1 3.38Å; Y122-I176 PolarHBondContact OH-N 2.78Å
123E96.1Very high97.6Very high124 Ų12461.3 Ų61.358%0.57933%0.331SS*.THydrogen-bonded Turntrans-59.4-48-175.9-63.2-54.8146.900112.7N121 K172N121-E123 PolarHBondContact O-N 2.92Å; N121-E123 PolarHBondContact OD1-N 3.16Å; E123-K172 PolarHBondContact O-NZ 3.38Å
124T96.4Very high97.6Very high79 Ų7960.9 Ų60.949%0.48533%0.33SS..THydrogen-bonded Turntrans-86.2-10.8-178.262.80000113.6N121 Y122 K126N121-T124 WeakPolarHBondContact CB-OG1 3.3Å; N121-T124 PolarHBondContact OD1-N 3.46Å; N121-T124 PolarHBondContact OD1-OG1 2.98Å; Y122-T124 PolarHBondContact O-N 2.9Å; T124-K126 VanDerWaalsContact C-N 3.26Å; T124-K126 PolarHBondContact O-N 3.39Å
125D96.6Very high97.6Very high44 Ų4461.2 Ų61.224%0.23533%0.331CS..THydrogen-bonded Turntrans5342.1-172.7-16532.7000112.8Y120 N121 Y122 R135 G171 K172Y120-D125 WeakPolarHBondContact CE2-OD1 3.29Å; Y120-D125 PolarHBondContact OH-OD1 3.37Å; N121-D125 WeakPolarHBondContact O-CA 3.5Å; N121-D125 PolarHBondContact O-N 3.27Å; Y122-D125 PolarHBondContact O-N 3.41Å; D125-R135 IonicContact OD1-NH2 3.8Å; D125-G171 WeakPolarHBondContact OD2-CA 3.33Å; D125-G171 PolarHBondContact OD2-N 3.48Å; D125-K172 HydrophobicContact CB-CG 4.28Å
126K96.7Very high97.6Very high147 Ų14755.9 Ų55.964%0.63931%0.311SS*.EExtended strand (participates in β ladder)trans-122.2150.5-177.1-71.9-179.3-177.9-178.70111.9N121 T124N121-K126 PolarHBondContact N-O 2.91Å; N121-K126 PolarHBondContact O-N 2.83Å; T124-K126 VanDerWaalsContact C-N 3.26Å; T124-K126 PolarHBondContact O-N 3.39Å
127C96.8Very high97.6Very high52 Ų5254.9 Ų54.935%0.35131%0.306SS..EExtended strand (participates in β ladder)trans-112129.4175.9-52.70000111.1N119 G129 C131N119-C127 CarbonylContact O-C 3.6Å; N119-C127 VanDerWaalsContact O-CA 3.24Å; N119-C127 WeakPolarHBondContact O-CA 3.24Å; C127-G129 WeakPolarHBondContact CB-O 3.38Å; C127-C131 HydrophobicContact CB-CB 3.65Å; C127-C131 WeakPolarHBondContact CB-SG 3.43Å; C127-C131 WeakPolarHBondContact SG-CB 3.33Å; C127-C131 CovalentContact SG-SG 1.99Å; C127-C131 PolarHBondContact SG-SG 3.29Å
128N97.3Very high97.6Very high142 Ų14253.6 Ų53.676%0.75930%0.301SS*.SBendtrans-100.281.1167.3-175.825.3000108.9N119N119-N128 WeakPolarHBondContact CB-O 3.32Å; N119-N128 PolarHBondContact O-N 2.77Å; N119-N128 PolarHBondContact OD1-O 2.89Å
129G96.9Very high97.6Very high55 Ų5549.7 Ų49.757%0.56728%0.282SS*.SBendtrans102-158.5-167.800000111.9C127C127-G129 WeakPolarHBondContact CB-O 3.38Å
130S96.5Very high97.6Very high79 Ų7947.2 Ų47.255%0.55227%0.27SS*.  trans-79.6133.9-177-51.10000111.4E116 N119E116-S130 WeakPolarHBondContact CB-O 3.42Å; N119-S130 WeakPolarHBondContact CB-O 3.45Å; N119-S130 PolarHBondContact ND2-O 3.38Å
131C97.5Very high97.6Very high11 Ų1153.6 Ų53.67%0.07430%0.298CS..  trans-144.5-5.7-178.467.10000113.2E116 Y120 C127 N133 Y134 R135E116-C131 WeakPolarHBondContact OE2-CA 3.38Å; E116-C131 PolarHBondContact OE2-N 2.82Å; Y120-C131 HydrophobicContact CD2-CB 4.43Å; C127-C131 HydrophobicContact CB-CB 3.65Å; C127-C131 WeakPolarHBondContact CB-SG 3.43Å; C127-C131 WeakPolarHBondContact SG-CB 3.33Å; C127-C131 CovalentContact SG-SG 1.99Å; C127-C131 PolarHBondContact SG-SG 3.29Å; C131-N133 VanDerWaalsContact C-N 3.33Å; C131-N133 PolarHBondContact O-N 2.8Å; C131-Y134 PolarHBondContact O-N 3.4Å; C131-R135 WeakPolarHBondContact O-CB 3.44Å; C131-R135 WeakPolarHBondContact O-CG 3.46Å; C131-R135 PolarHBondContact O-N 3.03Å
132S97.3Very high97.7Very high72 Ų7249.9 Ų49.950%0.50328%0.278SS..Hα-helixtrans-66.5-37.1-170.349.60000111.4E116 R135 Q136E116-S132 PolarHBondContact OE2-N 2.98Å; S132-R135 PolarHBondContact O-N 3.28Å; S132-Q136 WeakPolarHBondContact O-CB 3.36Å; S132-Q136 PolarHBondContact O-N 3.26Å
133N98.3Very high97.7Very high29 Ų2953.8 Ų53.816%0.15530%0.296CS..Hα-helixtrans-66.3-45178-62.7-60.9000110.2N99 W113 E116 C131 Q136 M137N99-N133 WeakPolarHBondContact CB-OD1 3.42Å; N99-N133 WeakPolarHBondContact ND2-CA 3.21Å; N99-N133 PolarHBondContact ND2-O 3.15Å; N99-N133 VanDerWaalsContact ND2-O 3.16Å; N99-N133 PolarHBondContact OD1-OD1 3.39Å; W113-N133 HydrophobicContact CB-CB 3.71Å; W113-N133 VanDerWaalsContact CD1-CB 3.49Å; W113-N133 HydrophobicContact CD2-CB 4.43Å; W113-N133 HydrophobicContact CG-CB 3.64Å; E116-N133 PolarHBondContact OE1-ND2 3.48Å; E116-N133 WeakPolarHBondContact OE2-CB 3.22Å; E116-N133 PolarHBondContact OE2-N 3.02Å; C131-N133 VanDerWaalsContact C-N 3.33Å; C131-N133 PolarHBondContact O-N 2.8Å; N133-Q136 PolarHBondContact O-N 2.99Å; N133-M137 WeakPolarHBondContact O-CG 3.36Å; N133-M137 PolarHBondContact O-N 3.16Å
134Y98.7Very high97.8Very high0 Ų050.4 Ų50.40%028%0.28CS..Hα-helixtrans-59-51.5174.1164.2-107.4000111.5I44 Q52 W113 F114 E116 Y117 Y120 C131 Q136 M137 V138I44-Y134 HydrophobicContact CD1-CE2 4.27Å; I44-Y134 WeakPolarHBondContact CD1-OH 3.42Å; Q52-Y134 WeakPolarHBondContact CG-OH 3.42Å; Q52-Y134 PolarHBondContact OE1-OH 3.45Å; W113-Y134 WeakPolarHBondContact O-CA 3.48Å; W113-Y134 WeakPolarHBondContact O-CB 3.32Å; W113-Y134 PolarHBondContact O-N 3.26Å; F114-Y134 AromaticContact CD2-CD2 3.94Å; F114-Y134 HydrophobicContact CD2-CD2 3.94Å; F114-Y134 HydrophobicContact CD2-CE2 4.19Å; F114-Y134 HydrophobicContact CE2-CD2 4.09Å; F114-Y134 AromaticContact CE2-CE2 3.86Å; F114-Y134 HydrophobicContact CE2-CE2 3.86Å; F114-Y134 HydrophobicContact CZ-CE2 4.38Å; F114-Y134 WeakPolarHBondContact O-CD2 3.21Å; E116-Y134 PolarHBondContact OE2-N 3.19Å; Y117-Y134 VanDerWaalsContact CB-CE2 3.41Å; Y120-Y134 HydrophobicContact CD1-CD1 4.33Å; Y120-Y134 AromaticContact CD1-CE1 3.65Å; Y120-Y134 HydrophobicContact CD1-CE1 3.65Å; Y120-Y134 HydrophobicContact CE1-CE1 4.45Å; Y120-Y134 HydrophobicContact CG-CD1 4.28Å; Y120-Y134 HydrophobicContact CG-CE1 4.05Å; C131-Y134 PolarHBondContact O-N 3.4Å; Y134-Q136 PolarHBondContact O-N 2.98Å; Y134-M137 WeakPolarHBondContact O-CB 3.23Å; Y134-M137 PolarHBondContact O-N 3.05Å; Y134-V138 HydrophobicContact CD1-CG2 4.47Å; Y134-V138 HydrophobicContact CD2-CG1 4Å; Y134-V138 HydrophobicContact CD2-CG2 4.31Å; Y134-V138 HydrophobicContact CE1-CG2 4.04Å; Y134-V138 HydrophobicContact CE2-CB 4.36Å; Y134-V138 HydrophobicContact CE2-CG1 3.58Å; Y134-V138 HydrophobicContact CE2-CG2 3.86Å; Y134-V138 WeakPolarHBondContact O-CG2 3.39Å; Y134-V138 PolarHBondContact O-N 3.26Å
135R98.4Very high97.9Very high20 Ų2046.7 Ų46.78%0.07526%0.257CS..Hα-helixtrans-55.2-41.9179.7-73.7179.776-147.4-1.2111.2Y120 D125 C131 S132 V138 W139 D168 D169 G171Y120-R135 HydrophobicContact CD2-CG 4.13Å; Y120-R135 HydrophobicContact CE2-CG 4.17Å; D125-R135 IonicContact OD1-NH2 3.8Å; C131-R135 WeakPolarHBondContact O-CB 3.44Å; C131-R135 WeakPolarHBondContact O-CG 3.46Å; C131-R135 PolarHBondContact O-N 3.03Å; S132-R135 PolarHBondContact O-N 3.28Å; R135-V138 PolarHBondContact O-N 3.26Å; R135-W139 WeakPolarHBondContact O-CB 3.33Å; R135-W139 PolarHBondContact O-N 3.09Å; R135-D168 PolarHBondContact NH2-O 3.08Å; R135-D169 PolarHBondContact NH1-O 3.23Å; R135-D169 VanDerWaalsContact NH1-O 3.14Å; R135-D169 PolarHBondContact NH2-O 2.8Å; R135-G171 PolarHBondContact NH2-O 2.86Å
136Q98.7Very high98Very high9 Ų944.6 Ų44.64%0.04225%0.246CC..Hα-helixtrans-65.8-41.8175.7-17759.884.700113.2S132 N133 Y134 V138 W139 T142 Y163 A167S132-Q136 WeakPolarHBondContact O-CB 3.36Å; S132-Q136 PolarHBondContact O-N 3.26Å; N133-Q136 PolarHBondContact O-N 2.99Å; Y134-Q136 PolarHBondContact O-N 2.98Å; Q136-V138 VanDerWaalsContact C-N 3.29Å; Q136-V138 PolarHBondContact O-N 3.38Å; Q136-W139 PolarHBondContact O-N 2.94Å; Q136-T142 PolarHBondContact NE2-OG1 3.33Å; Q136-Y163 HydrophobicContact CG-CD1 4.16Å; Q136-Y163 HydrophobicContact CG-CD2 3.24Å; Q136-Y163 HydrophobicContact CG-CE1 4.36Å; Q136-Y163 HydrophobicContact CG-CE2 3.5Å; Q136-Y163 VanDerWaalsContact CG-CE2 3.5Å; Q136-Y163 HydrophobicContact CG-CG 3.6Å; Q136-A167 HydrophobicContact CB-CB 4.28Å
137M98.8Very high98.1Very high3 Ų337.6 Ų37.62%0.01522%0.215CC..Hα-helixtrans-61.1-38.7177.4-72.1-178.275.800112.3Y40 R41 W113 F114 N133 Y134Y40-M137 HydrophobicContact CD2-CE 3.5Å; Y40-M137 HydrophobicContact CE2-CE 4.21Å; Y40-M137 HydrophobicContact CG-CE 4.14Å; R41-M137 WeakPolarHBondContact CG-O 3.27Å; R41-M137 PolarHBondContact NH1-O 2.85Å; W113-M137 HydrophobicContact CB-SD 3.48Å; W113-M137 WeakPolarHBondContact CB-SD 3.45Å; W113-M137 HydrophobicContact CE3-SD 4.3Å; F114-M137 HydrophobicContact CB-CE 4.18Å; F114-M137 HydrophobicContact CB-SD 4.08Å; F114-M137 HydrophobicContact CD2-CE 4.41Å; N133-M137 WeakPolarHBondContact O-CG 3.36Å; N133-M137 PolarHBondContact O-N 3.16Å; Y134-M137 WeakPolarHBondContact O-CB 3.23Å; Y134-M137 PolarHBondContact O-N 3.05Å
138V98.5Very high98.2Very high0 Ų035.1 Ų35.10%020%0.199CC..THydrogen-bonded Turntrans-102.410.7-174.9-52.10000113.9I44 M58 F114 Y134 R135 Q136 A140 P173 Y174I44-V138 HydrophobicContact CD1-CG1 4.4Å; I44-V138 HydrophobicContact CG1-CB 4.4Å; I44-V138 HydrophobicContact CG1-CG1 3.86Å; M58-V138 HydrophobicContact CE-CB 4.21Å; F114-V138 HydrophobicContact CD2-CG1 4.32Å; F114-V138 HydrophobicContact CE2-CG1 3.76Å; Y134-V138 HydrophobicContact CD1-CG2 4.47Å; Y134-V138 HydrophobicContact CD2-CG1 4Å; Y134-V138 HydrophobicContact CD2-CG2 4.31Å; Y134-V138 HydrophobicContact CE1-CG2 4.04Å; Y134-V138 HydrophobicContact CE2-CB 4.36Å; Y134-V138 HydrophobicContact CE2-CG1 3.58Å; Y134-V138 HydrophobicContact CE2-CG2 3.86Å; Y134-V138 WeakPolarHBondContact O-CG2 3.39Å; Y134-V138 PolarHBondContact O-N 3.26Å; R135-V138 PolarHBondContact O-N 3.26Å; Q136-V138 VanDerWaalsContact C-N 3.29Å; Q136-V138 PolarHBondContact O-N 3.38Å; V138-A140 PolarHBondContact O-N 3.23Å; V138-P173 HydrophobicContact CG2-CB 3.9Å; V138-P173 HydrophobicContact CG2-CG 3.98Å; V138-Y174 HydrophobicContact CB-CD1 4.36Å; V138-Y174 HydrophobicContact CB-CE1 4.31Å; V138-Y174 HydrophobicContact CG2-CD1 4.1Å; V138-Y174 HydrophobicContact CG2-CE1 3.87Å
139W98.6Very high98.2Very high19 Ų1929 Ų297%0.07217%0.166CC..  trans-65.9106.8177.4-169.6-110.7000110.5R41 R135 Q136 K141 T142 S166 A167 D168 P173R41-W139 PolarHBondContact NH1-O 2.58Å; R41-W139 PolarHBondContact NH2-O 3.41Å; R135-W139 WeakPolarHBondContact O-CB 3.33Å; R135-W139 PolarHBondContact O-N 3.09Å; Q136-W139 PolarHBondContact O-N 2.94Å; W139-K141 PolarHBondContact O-N 3.4Å; W139-K141 VanDerWaalsContact O-N 3.15Å; W139-T142 WeakPolarHBondContact CB-OG1 3.41Å; W139-T142 WeakPolarHBondContact O-CB 3.26Å; W139-T142 PolarHBondContact O-N 3.35Å; W139-T142 PolarHBondContact O-OG1 3.32Å; W139-S166 PolarHBondContact NE1-O 2.85Å; W139-A167 HydrophobicContact CB-CB 4.1Å; W139-A167 VanDerWaalsContact CD2-CA 3.49Å; W139-A167 HydrophobicContact CD2-CB 3.76Å; W139-A167 HydrophobicContact CE3-CB 3.65Å; W139-A167 HydrophobicContact CG-CB 3.94Å; W139-A167 HydrophobicContact CZ3-CB 4.34Å; W139-D168 HydrophobicContact CH2-CB 3.55Å; W139-D168 HydrophobicContact CZ2-CB 3.7Å; W139-D168 HydrophobicContact CZ3-CB 4.44Å; W139-P173 CarbonylContact C-O 3.49Å; W139-P173 WeakPolarHBondContact CA-O 3.4Å; W139-P173 VanDerWaalsContact CE3-CA 3.41Å; W139-P173 HydrophobicContact CE3-CB 3.78Å; W139-P173 HydrophobicContact CZ3-CB 4.24Å
140A98.3Very high98.2Very high10 Ų1028.7 Ų28.78%0.08315%0.151CC..THydrogen-bonded Turntrans-55.1-38.1-171.600000112.1R41 M58 E59 V138 T142 P173R41-A140 PolarHBondContact NH2-O 3.17Å; R41-A140 VanDerWaalsContact NH2-O 3.16Å; M58-A140 HydrophobicContact CG-CB 4.31Å; E59-A140 VanDerWaalsContact CB-O 3.23Å; E59-A140 WeakPolarHBondContact CB-O 3.06Å; E59-A140 WeakPolarHBondContact CG-O 3.26Å; E59-A140 PolarHBondContact N-O 2.84Å; V138-A140 PolarHBondContact O-N 3.23Å; A140-T142 VanDerWaalsContact C-N 3.3Å; A140-T142 PolarHBondContact O-N 2.88Å; A140-P173 PolarHBondContact N-O 3.16Å
141K97.9Very high98.1Very high142 Ų14231.2 Ų31.262%0.61715%0.152SC*.THydrogen-bonded Turntrans-75.5-11.9-177.8-60-179.4179.3177.70114.6W139 K143 P165W139-K141 PolarHBondContact O-N 3.4Å; W139-K141 VanDerWaalsContact O-N 3.15Å; K141-K143 PolarHBondContact O-N 3.48Å; K141-P165 HydrophobicContact CB-CG 4.2Å; K141-P165 WeakPolarHBondContact O-CD 3.03Å; K141-P165 VanDerWaalsContact O-CG 3.3Å; K141-P165 WeakPolarHBondContact O-CG 2.99Å
142T98.6Very high97.9Very high0 Ų031.4 Ų31.40%015%0.153CC..  trans-64.3121.9178.1-58.70000109.8R41 E59 L61 Q136 W139 A140 H144 Y163 P165R41-T142 PolarHBondContact NH2-O 3.33Å; E59-T142 WeakPolarHBondContact CB-O 3.5Å; L61-T142 HydrophobicContact CD2-CG2 3.59Å; L61-T142 WeakPolarHBondContact CD2-O 3.44Å; Q136-T142 PolarHBondContact NE2-OG1 3.33Å; W139-T142 WeakPolarHBondContact CB-OG1 3.41Å; W139-T142 WeakPolarHBondContact O-CB 3.26Å; W139-T142 PolarHBondContact O-N 3.35Å; W139-T142 PolarHBondContact O-OG1 3.32Å; A140-T142 VanDerWaalsContact C-N 3.3Å; A140-T142 PolarHBondContact O-N 2.88Å; T142-H144 WeakPolarHBondContact CG2-O 3.39Å; T142-Y163 HydrophobicContact CG2-CD1 4.22Å; T142-P165 PolarHBondContact OG1-O 3.18Å
143K98.3Very high97.4Very high93 Ų9337 Ų3740%0.40417%0.169SC..  trans-106.3-30.8-178.5-64.5176.9-175.4-177.50112.6E59 R62 K141 S164E59-K143 HydrophobicContact CB-CG 4.01Å; E59-K143 HydrophobicContact CG-CG 3.89Å; E59-K143 WeakPolarHBondContact OE1-CE 3.42Å; E59-K143 IonicContact OE1-NZ 2.88Å; R62-K143 PolarHBondContact N-O 2.77Å; K141-K143 PolarHBondContact O-N 3.48Å; K143-S164 PolarHBondContact N-O 3.23Å
144H98.6Very high96.5Very high53 Ų5344.5 Ų44.525%0.24520%0.2CC..EExtended strand (participates in β ladder)trans-122141.4-173.2-61.4-62.4000111.2R62 N64 L67 T142 Y163 S164R62-H144 WeakPolarHBondContact O-CA 3.47Å; N64-H144 HydrophobicContact CB-CB 4.18Å; L67-H144 HydrophobicContact CD1-CB 3.85Å; T142-H144 WeakPolarHBondContact CG2-O 3.39Å; H144-Y163 CarbonylContact O-C 3.49Å; H144-Y163 WeakPolarHBondContact O-CA 3.46Å; H144-S164 PolarHBondContact N-O 3.41Å; H144-S164 PolarHBondContact O-N 2.98Å
145I98.8Very high95.4Very high0 Ų054.5 Ų54.50%024%0.237CC..EExtended strand (participates in β ladder)trans-138.9141.3173.4-174.2176000109H37 L61 R62 W63 N64 N162 Y163H37-I145 HydrophobicContact CB-CD1 4.29Å; L61-I145 HydrophobicContact CB-CG2 4.04Å; L61-I145 HydrophobicContact CD1-CD1 4.48Å; L61-I145 HydrophobicContact CD1-CG2 4.41Å; R62-I145 PolarHBondContact O-N 3.45Å; W63-I145 CarbonylContact C-O 3.56Å; W63-I145 VanDerWaalsContact CA-O 3.3Å; W63-I145 WeakPolarHBondContact CA-O 3.11Å; N64-I145 PolarHBondContact N-O 3.48Å; I145-N162 WeakPolarHBondContact CA-O 3.3Å; I145-Y163 HydrophobicContact CB-CD1 4.38Å; I145-Y163 HydrophobicContact CD1-CD1 4.03Å; I145-Y163 HydrophobicContact CD1-CE1 3.54Å; I145-Y163 HydrophobicContact CG1-CD1 3.96Å; I145-Y163 HydrophobicContact CG1-CE1 3.92Å
146G98.7Very high95.1Very high0 Ų056.8 Ų56.80%025%0.248CC..EExtended strand (participates in β ladder)trans-144133.116700000109.3N162G146-N162 PolarHBondContact N-O 3.4Å; G146-N162 PolarHBondContact O-N 3.14Å
147C98.9Very high95Very high1 Ų157.4 Ų57.41%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-123.7154.6-176-54.40000111.4L30 I33 W63 V160 C161L30-C147 HydrophobicContact CD2-CB 4.4Å; L30-C147 WeakPolarHBondContact CD2-O 3.45Å; I33-C147 HydrophobicContact CD1-CB 4.42Å; I33-C147 HydrophobicContact CG2-CB 4.03Å; I33-C147 WeakPolarHBondContact CG2-SG 3.28Å; W63-C147 HydrophobicContact CH2-CB 4.06Å; W63-C147 VanDerWaalsContact CH2-N 3.31Å; W63-C147 WeakPolarHBondContact CH2-O 3.01Å; W63-C147 HydrophobicContact CZ3-CB 4.24Å; C147-V160 CarbonylContact C-O 3.59Å; C147-V160 WeakPolarHBondContact CA-O 3.38Å; C147-V160 VanDerWaalsContact CB-O 3.26Å; C147-V160 WeakPolarHBondContact CB-O 3.41Å; C147-C161 HydrophobicContact CB-CB 4.14Å; C147-C161 WeakPolarHBondContact CB-SG 3.39Å; C147-C161 VanDerWaalsContact SG-CA 3.6Å; C147-C161 WeakPolarHBondContact SG-CB 3.42Å; C147-C161 CovalentContact SG-SG 2.05Å; C147-C161 PolarHBondContact SG-SG 3.23Å
148G98.4Very high94.9Very high0 Ų057.5 Ų57.50%025%0.252CS..EExtended strand (participates in β ladder)trans-134.6157.1173.400000110.2V160G148-V160 PolarHBondContact N-O 3.36Å; G148-V160 PolarHBondContact O-N 2.85Å
149L97.8Very high94.9Very high12 Ų1257.5 Ų57.56%0.06325%0.252CS..EExtended strand (participates in β ladder)trans-147.1148.117565.893.4000111.7L26 K29 L30 I33 Q72 I106 M158 I159L26-L149 HydrophobicContact CD1-CD1 3.93Å; L26-L149 HydrophobicContact CD1-CD2 4.22Å; L26-L149 HydrophobicContact CD1-CG 3.84Å; K29-L149 HydrophobicContact CB-CD2 3.66Å; K29-L149 HydrophobicContact CD-CD1 4.18Å; K29-L149 HydrophobicContact CD-CD2 4.22Å; L30-L149 HydrophobicContact CD2-CD2 3.96Å; L30-L149 HydrophobicContact CD2-CG 4.43Å; I33-L149 HydrophobicContact CD1-CD2 3.96Å; Q72-L149 PolarHBondContact NE2-O 3.44Å; Q72-L149 PolarHBondContact OE1-O 3.37Å; I106-L149 HydrophobicContact CD1-CD2 4.14Å; L149-M158 CarbonylContact C-O 3.58Å; L149-M158 WeakPolarHBondContact CA-O 3.41Å; L149-M158 WeakPolarHBondContact CB-O 3.33Å; L149-I159 HydrophobicContact CB-CG1 4.19Å
150N96.5Very high94.9Very high49 Ų4956.6 Ų56.626%0.26225%0.248SC..EExtended strand (participates in β ladder)trans-140.2150.1174-171.428.5000110.4A75 C78 L157 M158A75-N150 HydrophobicContact CB-CB 4.24Å; A75-N150 WeakPolarHBondContact O-CB 3.42Å; C78-N150 PolarHBondContact SG-ND2 3.42Å; N150-L157 CarbonylContact O-C 3.57Å; N150-L157 WeakPolarHBondContact O-CA 3.49Å; N150-M158 PolarHBondContact N-O 3.01Å; N150-M158 PolarHBondContact O-N 1.99Å
151K95.2Very high94.9Very high133 Ų13356.1 Ų56.158%0.57824%0.244SC*.EExtended strand (participates in β ladder)trans-88.4114.7171.1-173176-176.8175.80108.7L157K151-L157 HydrophobicContact CB-CD2 4.4Å
152C92.9Very high95Very high14 Ų1449.3 Ų49.310%0.09522%0.215CC..  trans-92.3174.7-177.9-62.80000112C78 R155 K156 M158C78-C152 WeakPolarHBondContact CA-SG 3.48Å; C78-C152 HydrophobicContact CB-CB 3.68Å; C78-C152 WeakPolarHBondContact CB-SG 3.48Å; C78-C152 WeakPolarHBondContact SG-CA 3.33Å; C78-C152 WeakPolarHBondContact SG-CB 3.37Å; C78-C152 CovalentContact SG-SG 2.03Å; C78-C152 PolarHBondContact SG-SG 3.21Å; C152-R155 PolarHBondContact O-N 3.03Å; C152-K156 PolarHBondContact N-O 3.14Å; C152-M158 WeakPolarHBondContact SG-CB 3.02Å
153K86.1Confident95Very high191 Ų19149.4 Ų49.483%0.8322%0.215SC*.G310 helixtrans-55.6151.7169.8-64.4-179.2-177.5176.30108.9R155K153-R155 VanDerWaalsContact C-N 3.29Å; K153-R155 PolarHBondContact O-N 3.05Å
154K80.8Confident95Very high185 Ų18545.2 Ų45.280%0.80420%0.198SC*.G310 helixtrans70.314.3-170.3-48.4175.7-179.9174.40115.7K156K154-K156 PolarHBondContact O-N 3.13Å
155R75.7Confident94.9Very high210 Ų21043.7 Ų43.779%0.79219%0.192SC*.G310 helixtrans676.3173-57.5-177.8173.3175.8-0.4116C152 K153C152-R155 PolarHBondContact O-N 3.03Å; K153-R155 VanDerWaalsContact C-N 3.29Å; K153-R155 PolarHBondContact O-N 3.05Å
156K91.1Very high94.9Very high69 Ų6945.1 Ų45.130%0.320%0.203SC..PPolyproline II helixtrans-81.6153.7174.1-64.5-178.1176-175.10111.9E102 C152 K154E102-K156 HydrophobicContact CG-CB 3.7Å; E102-K156 HydrophobicContact CG-CD 3.6Å; E102-K156 HydrophobicContact CG-CG 4.35Å; E102-K156 WeakPolarHBondContact OE1-CD 3.39Å; E102-K156 VanDerWaalsContact OE2-CD 3.27Å; E102-K156 WeakPolarHBondContact OE2-CD 3.43Å; E102-K156 IonicContact OE2-NZ 3.95Å; E102-K156 PolarHBondContact OE2-NZ 3.01Å; C152-K156 PolarHBondContact N-O 3.14Å; K154-K156 PolarHBondContact O-N 3.13Å
157L96.2Very high94.9Very high22 Ų2246.1 Ų46.112%0.11521%0.211CC..EExtended strand (participates in β ladder)trans-85.3129.8171.1-58174.7000108.9E102 S103 I106 N150 K151 I159E102-L157 CarbonylContact C-O 3.53Å; E102-L157 WeakPolarHBondContact CA-O 3.29Å; S103-L157 PolarHBondContact N-O 3.42Å; S103-L157 WeakPolarHBondContact O-CA 3.37Å; S103-L157 WeakPolarHBondContact O-CB 3.18Å; S103-L157 PolarHBondContact O-N 3.09Å; I106-L157 HydrophobicContact CG1-CD1 4.2Å; N150-L157 CarbonylContact O-C 3.57Å; N150-L157 WeakPolarHBondContact O-CA 3.49Å; K151-L157 HydrophobicContact CB-CD2 4.4Å; L157-I159 HydrophobicContact CB-CD1 4.15Å; L157-I159 HydrophobicContact CB-CG1 4Å; L157-I159 HydrophobicContact CD1-CD1 4.37Å
158M97.5Very high94.5Very high4 Ų450 Ų502%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-85.5123156.4-176.961.27100107.4A75 L80 V100 A101 L149 N150 C152 V160A75-M158 HydrophobicContact CB-CG 4.2Å; L80-M158 HydrophobicContact CD2-CE 3.9Å; L80-M158 HydrophobicContact CD2-SD 4.02Å; L80-M158 HydrophobicContact CG-CE 4.02Å; V100-M158 HydrophobicContact CG1-SD 3.49Å; V100-M158 WeakPolarHBondContact CG1-SD 3.27Å; A101-M158 CarbonylContact O-C 3.54Å; A101-M158 WeakPolarHBondContact O-CA 2.95Å; L149-M158 CarbonylContact C-O 3.58Å; L149-M158 WeakPolarHBondContact CA-O 3.41Å; L149-M158 WeakPolarHBondContact CB-O 3.33Å; N150-M158 PolarHBondContact N-O 3.01Å; N150-M158 PolarHBondContact O-N 1.99Å; C152-M158 WeakPolarHBondContact SG-CB 3.02Å; M158-V160 HydrophobicContact CG-CG2 4.29Å
159I98.4Very high93.7Very high0 Ų056.6 Ų56.60%027%0.267CS..EExtended strand (participates in β ladder)trans-122.7126.9179.5-60.1165.5000107.4I33 A101 I106 A109 M110 W113 L149 L157I33-I159 HydrophobicContact CD1-CG2 3.89Å; A101-I159 PolarHBondContact N-O 3.16Å; A101-I159 PolarHBondContact O-N 2.89Å; I106-I159 HydrophobicContact CB-CD1 4.41Å; I106-I159 HydrophobicContact CG1-CD1 3.91Å; A109-I159 HydrophobicContact CB-CD1 3.62Å; M110-I159 HydrophobicContact CE-CG2 3.98Å; W113-I159 HydrophobicContact CH2-CG2 4.33Å; L149-I159 HydrophobicContact CB-CG1 4.19Å; L157-I159 HydrophobicContact CB-CD1 4.15Å; L157-I159 HydrophobicContact CB-CG1 4Å; L157-I159 HydrophobicContact CD1-CD1 4.37Å
160V98.6Very high93Very high0 Ų064 Ų640%030%0.298CS..EExtended strand (participates in β ladder)trans-127.1134.4-179.9-178.10000108.1A71 V74 A75 Q98 N99 V100 C147 G148 M158A71-V160 HydrophobicContact CB-CB 4.1Å; A71-V160 HydrophobicContact CB-CG1 3.84Å; V74-V160 HydrophobicContact CB-CG1 4.17Å; V74-V160 HydrophobicContact CB-CG2 4.16Å; V74-V160 HydrophobicContact CG1-CG1 4.07Å; V74-V160 HydrophobicContact CG1-CG2 3.76Å; A75-V160 HydrophobicContact CB-CB 4.46Å; A75-V160 HydrophobicContact CB-CG2 3.92Å; Q98-V160 HydrophobicContact CG-CG1 3.87Å; N99-V160 WeakPolarHBondContact O-CA 3.33Å; V100-V160 HydrophobicContact CG1-CG2 4.13Å; V100-V160 HydrophobicContact CG2-CG1 4.42Å; V100-V160 HydrophobicContact CG2-CG2 4.39Å; C147-V160 CarbonylContact C-O 3.59Å; C147-V160 WeakPolarHBondContact CA-O 3.38Å; C147-V160 VanDerWaalsContact CB-O 3.26Å; C147-V160 WeakPolarHBondContact CB-O 3.41Å; G148-V160 PolarHBondContact N-O 3.36Å; G148-V160 PolarHBondContact O-N 2.85Å; M158-V160 HydrophobicContact CG-CG2 4.29Å
161C98.9Very high92.8Very high0 Ų063.2 Ų63.20%030%0.302CS..EExtended strand (participates in β ladder)trans-127.1129.5169.3-73.60000109.3I33 Q98 N99 W113 C147 Y163I33-C161 WeakPolarHBondContact CG2-SG 3.38Å; Q98-C161 WeakPolarHBondContact CA-O 3.38Å; N99-C161 PolarHBondContact N-O 3.47Å; N99-C161 PolarHBondContact O-N 3.1Å; W113-C161 HydrophobicContact CH2-CB 4.32Å; W113-C161 HydrophobicContact CZ3-CB 4.21Å; C147-C161 HydrophobicContact CB-CB 4.14Å; C147-C161 WeakPolarHBondContact CB-SG 3.39Å; C147-C161 VanDerWaalsContact SG-CA 3.6Å; C147-C161 WeakPolarHBondContact SG-CB 3.42Å; C147-C161 CovalentContact SG-SG 2.05Å; C147-C161 PolarHBondContact SG-SG 3.23Å; C161-Y163 HydrophobicContact CB-CE1 4.24Å; C161-Y163 HydrophobicContact CB-CE2 3.74Å; C161-Y163 VanDerWaalsContact CB-CZ 3.49Å; C161-Y163 VanDerWaalsContact CB-OH 3.23Å; C161-Y163 WeakPolarHBondContact CB-OH 3.48Å; C161-Y163 WeakPolarHBondContact O-CD2 3.5Å; C161-Y163 WeakPolarHBondContact O-CE2 3.22Å
162N98.8Very high92.9Very high0 Ų061.1 Ų61.10%029%0.293CS..EExtended strand (participates in β ladder)trans-104.5140.3172.6-68.6-17.3000109.1L67 N70 A71 L84 I96 G97 Q98 I145 G146L67-N162 HydrophobicContact CB-CB 4.13Å; L67-N162 HydrophobicContact CD2-CB 4.21Å; L67-N162 PolarHBondContact O-ND2 3.01Å; N70-N162 PolarHBondContact OD1-ND2 2.86Å; A71-N162 PolarHBondContact N-ND2 3.23Å; L84-N162 WeakPolarHBondContact CD2-ND2 3.39Å; L84-N162 WeakPolarHBondContact CD2-OD1 3.41Å; I96-N162 HydrophobicContact CG2-CB 4.12Å; G97-N162 CarbonylContact O-C 3.52Å; G97-N162 VanDerWaalsContact O-CA 3.26Å; G97-N162 WeakPolarHBondContact O-CA 3.22Å; Q98-N162 WeakPolarHBondContact CG-OD1 3.41Å; Q98-N162 PolarHBondContact NE2-OD1 2.77Å; Q98-N162 VanDerWaalsContact NE2-OD1 3.09Å; I145-N162 WeakPolarHBondContact CA-O 3.3Å; G146-N162 PolarHBondContact N-O 3.4Å; G146-N162 PolarHBondContact O-N 3.14Å
163Y98.6Very high93.1Very high1 Ų160.6 Ų60.60%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-128.4143.6-171.8-53.2-92.4000110.4H37 I96 G97 N99 Q136 T142 H144 I145 C161H37-Y163 AromaticContact CD2-CE1 3.72Å; H37-Y163 AromaticContact NE2-CE1 3.49Å; H37-Y163 WeakPolarHBondContact NE2-CE1 3.07Å; H37-Y163 AromaticContact NE2-CZ 3.54Å; H37-Y163 PolarHBondContact NE2-OH 2.84Å; I96-Y163 VanDerWaalsContact CA-O 3.26Å; I96-Y163 WeakPolarHBondContact CA-O 3.33Å; G97-Y163 PolarHBondContact N-O 3.2Å; G97-Y163 PolarHBondContact O-N 3.04Å; N99-Y163 HydrophobicContact CB-CE2 3.89Å; N99-Y163 PolarHBondContact ND2-OH 3.38Å; Q136-Y163 HydrophobicContact CG-CD1 4.16Å; Q136-Y163 HydrophobicContact CG-CD2 3.24Å; Q136-Y163 HydrophobicContact CG-CE1 4.36Å; Q136-Y163 HydrophobicContact CG-CE2 3.5Å; Q136-Y163 VanDerWaalsContact CG-CE2 3.5Å; Q136-Y163 HydrophobicContact CG-CG 3.6Å; T142-Y163 HydrophobicContact CG2-CD1 4.22Å; H144-Y163 CarbonylContact O-C 3.49Å; H144-Y163 WeakPolarHBondContact O-CA 3.46Å; I145-Y163 HydrophobicContact CB-CD1 4.38Å; I145-Y163 HydrophobicContact CD1-CD1 4.03Å; I145-Y163 HydrophobicContact CD1-CE1 3.54Å; I145-Y163 HydrophobicContact CG1-CD1 3.96Å; I145-Y163 HydrophobicContact CG1-CE1 3.92Å; C161-Y163 HydrophobicContact CB-CE1 4.24Å; C161-Y163 HydrophobicContact CB-CE2 3.74Å; C161-Y163 VanDerWaalsContact CB-CZ 3.49Å; C161-Y163 VanDerWaalsContact CB-OH 3.23Å; C161-Y163 WeakPolarHBondContact CB-OH 3.48Å; C161-Y163 WeakPolarHBondContact O-CD2 3.5Å; C161-Y163 WeakPolarHBondContact O-CE2 3.22Å
164S98.4Very high93.7Very high5 Ų551.9 Ų51.94%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-141.8134.3171.1-170.10000113.3F93 S95 K143 H144F93-S164 WeakPolarHBondContact CB-OG 3.37Å; F93-S164 WeakPolarHBondContact CD1-OG 3.32Å; S95-S164 WeakPolarHBondContact O-CB 3.41Å; S95-S164 PolarHBondContact O-OG 2.89Å; K143-S164 PolarHBondContact N-O 3.23Å; H144-S164 PolarHBondContact N-O 3.41Å; H144-S164 PolarHBondContact O-N 2.98Å
165P97.8Very high94.5Very high21 Ų2147.2 Ų47.214%0.13624%0.238CC..SBendcis-61157.1-12.727.5-37000112.1K141 T142K141-P165 HydrophobicContact CB-CG 4.2Å; K141-P165 WeakPolarHBondContact O-CD 3.03Å; K141-P165 VanDerWaalsContact O-CG 3.3Å; K141-P165 WeakPolarHBondContact O-CG 2.99Å; T142-P165 PolarHBondContact OG1-O 3.18Å
166S98Very high95.5Very high31 Ų3140.9 Ų40.922%0.21722%0.219CC..PPolyproline II helixtrans-61.5156.5170.171.60000111.1S95 G97 W139S95-S166 WeakPolarHBondContact CB-OG 3.24Å; S95-S166 PolarHBondContact OG-N 1.99Å; S95-S166 PolarHBondContact OG-OG 2.97Å; G97-S166 VanDerWaalsContact N-CB 3.25Å; W139-S166 PolarHBondContact NE1-O 2.85Å
167A97.4Very high95.6Very high20 Ų2038.1 Ų38.117%0.16521%0.21CC..PPolyproline II helixtrans-61.8142.1160.800000110.2Q136 W139Q136-A167 HydrophobicContact CB-CB 4.28Å; W139-A167 HydrophobicContact CB-CB 4.1Å; W139-A167 VanDerWaalsContact CD2-CA 3.49Å; W139-A167 HydrophobicContact CD2-CB 3.76Å; W139-A167 HydrophobicContact CE3-CB 3.65Å; W139-A167 HydrophobicContact CG-CB 3.94Å; W139-A167 HydrophobicContact CZ3-CB 4.34Å
168D90.7Very high95.3Very high83 Ų8341.4 Ų41.444%0.44423%0.228SC..PPolyproline II helixtrans-85.5138.7170.8-170.8-14.5000108.7R135 W139 K170R135-D168 PolarHBondContact NH2-O 3.08Å; W139-D168 HydrophobicContact CH2-CB 3.55Å; W139-D168 HydrophobicContact CZ2-CB 3.7Å; W139-D168 HydrophobicContact CZ3-CB 4.44Å; D168-K170 WeakPolarHBondContact CB-O 3.34Å; D168-K170 VanDerWaalsContact CG-O 3.29Å; D168-K170 PolarHBondContact O-N 3.44Å; D168-K170 PolarHBondContact OD1-N 3.09Å
169D81.7Confident94.8Very high138 Ų13848.7 Ų48.774%0.73826%0.255SS*.SBendtrans-64.3-21.9172.4-74.5-29.7000111.8R135R135-D169 PolarHBondContact NH1-O 3.23Å; R135-D169 VanDerWaalsContact NH1-O 3.14Å; R135-D169 PolarHBondContact NH2-O 2.8Å
170K83.6Confident94.2Very high168 Ų16852.9 Ų52.973%0.7329%0.285SS*.SBendtrans-104.9130.6176.5-62.2179.8-176.7175.60111.4D168D168-K170 WeakPolarHBondContact CB-O 3.34Å; D168-K170 VanDerWaalsContact CG-O 3.29Å; D168-K170 PolarHBondContact O-N 3.44Å; D168-K170 PolarHBondContact OD1-N 3.09Å
171G91.7Very high93Very high33 Ų3358.5 Ų58.534%0.3431%0.311SS..SBendtrans95.4161.8172.700000113.6D125 R135D125-G171 WeakPolarHBondContact OD2-CA 3.33Å; D125-G171 PolarHBondContact OD2-N 3.48Å; R135-G171 PolarHBondContact NH2-O 2.86Å
172K97.7Very high92.2Very high89 Ų8959.7 Ų59.739%0.38732%0.319SS..  trans-72.9143.8-174.5-63.9173.4162.6101.70110.6Y122 E123 D125 Y174Y122-K172 HydrophobicContact CD1-CD 4.11Å; Y122-K172 HydrophobicContact CE1-CD 3.52Å; Y122-K172 HydrophobicContact CE1-CG 4.35Å; Y122-K172 HydrophobicContact CE2-CB 3.93Å; Y122-K172 HydrophobicContact CE2-CD 4.37Å; Y122-K172 HydrophobicContact CE2-CG 4.42Å; Y122-K172 WeakPolarHBondContact O-CE 3.37Å; E123-K172 PolarHBondContact O-NZ 3.38Å; D125-K172 HydrophobicContact CB-CG 4.28Å; K172-Y174 PolarHBondContact O-N 2.53Å
173P98Very high90.9Very high3 Ų365.1 Ų65.12%0.01935%0.347CS..SBendtrans-69.2-19.1-17325.9-34.4000115.1Y120 V138 W139 A140Y120-P173 HydrophobicContact CE1-CG 4.11Å; Y120-P173 WeakPolarHBondContact OH-CD 3.47Å; V138-P173 HydrophobicContact CG2-CB 3.9Å; V138-P173 HydrophobicContact CG2-CG 3.98Å; W139-P173 CarbonylContact C-O 3.49Å; W139-P173 WeakPolarHBondContact CA-O 3.4Å; W139-P173 VanDerWaalsContact CE3-CA 3.41Å; W139-P173 HydrophobicContact CE3-CB 3.78Å; W139-P173 HydrophobicContact CZ3-CB 4.24Å; A140-P173 PolarHBondContact N-O 3.16Å
174Y98.1Very high88.9Confident8 Ų872.9 Ų72.93%0.03139%0.388CS..SBendtrans-153.5166.4178.748.1-97.4000108.8I44 P53 A55 M58 Y122 V138 K172I44-Y174 HydrophobicContact CG2-CD1 4.22Å; I44-Y174 HydrophobicContact CG2-CD2 4.48Å; I44-Y174 HydrophobicContact CG2-CE1 3.75Å; I44-Y174 HydrophobicContact CG2-CE2 4.01Å; P53-Y174 HydrophobicContact CG-CE2 4.2Å; P53-Y174 WeakPolarHBondContact O-CE2 3.36Å; P53-Y174 PolarHBondContact O-OH 3.5Å; A55-Y174 HydrophobicContact CB-CD1 4.42Å; A55-Y174 HydrophobicContact CB-CD2 3.59Å; A55-Y174 HydrophobicContact CB-CE2 4.27Å; A55-Y174 HydrophobicContact CB-CG 3.68Å; M58-Y174 HydrophobicContact CE-CD1 3.98Å; M58-Y174 HydrophobicContact CE-CG 4.34Å; Y122-Y174 HydrophobicContact CD2-CD2 4.43Å; Y122-Y174 HydrophobicContact CD2-CE1 4.34Å; Y122-Y174 AromaticContact CD2-CE2 3.72Å; Y122-Y174 HydrophobicContact CD2-CE2 3.72Å; Y122-Y174 AromaticContact CD2-CZ 3.64Å; Y122-Y174 HydrophobicContact CE2-CD1 4.46Å; Y122-Y174 AromaticContact CE2-CD2 3.54Å; Y122-Y174 HydrophobicContact CE2-CD2 3.54Å; Y122-Y174 HydrophobicContact CE2-CE1 4.2Å; Y122-Y174 AromaticContact CE2-CE2 3.22Å; Y122-Y174 HydrophobicContact CE2-CE2 3.22Å; Y122-Y174 HydrophobicContact CE2-CG 4.15Å; Y122-Y174 AromaticContact CE2-CZ 3.58Å; Y122-Y174 AromaticContact CZ-CE2 3.94Å; Y122-Y174 PolarHBondContact OH-O 2.77Å; V138-Y174 HydrophobicContact CB-CD1 4.36Å; V138-Y174 HydrophobicContact CB-CE1 4.31Å; V138-Y174 HydrophobicContact CG2-CD1 4.1Å; V138-Y174 HydrophobicContact CG2-CE1 3.87Å; K172-Y174 PolarHBondContact O-N 2.53Å
175V97.2Very high86.7Confident86 Ų8680.1 Ų80.152%0.52143%0.426SS..PPolyproline II helixtrans-86.1143.4170.7177.70000109.1A55 E56 G177A55-V175 CarbonylContact C-O 3.5Å; A55-V175 WeakPolarHBondContact CA-O 3.33Å; E56-V175 HydrophobicContact CB-CB 4.33Å; E56-V175 HydrophobicContact CB-CG1 4.4Å; E56-V175 PolarHBondContact N-O 3.29Å; E56-V175 WeakPolarHBondContact OE2-CG1 3.48Å; V175-G177 PolarHBondContact O-N 3.14Å
176I96.8Very high84Confident78 Ų7891.9 Ų91.940%0.448%0.479SS..BIsolated β-bridgetrans-66.1126.5177.2-60-175.3000109.7P53 P54 Y122P53-I176 HydrophobicContact CB-CD1 4.1Å; P53-I176 HydrophobicContact CB-CG1 4.02Å; P53-I176 HydrophobicContact CB-CG2 4.05Å; P53-I176 HydrophobicContact CG-CD1 4.08Å; P53-I176 HydrophobicContact CG-CG1 3.95Å; P54-I176 WeakPolarHBondContact O-CA 3.36Å; Y122-I176 HydrophobicContact CD1-CD1 4.18Å; Y122-I176 HydrophobicContact CD1-CG1 4.27Å; Y122-I176 HydrophobicContact CE1-CD1 3.55Å; Y122-I176 HydrophobicContact CE1-CG1 3.31Å; Y122-I176 WeakPolarHBondContact OH-CG1 3.38Å; Y122-I176 PolarHBondContact OH-N 2.78Å
177G94.5Very high83.3Confident10 Ų1094.9 Ų94.910%0.10349%0.492CS..PPolyproline II helixtrans-89.7173.9172.800000114P54 V175P54-G177 PolarHBondContact O-N 3.26Å; V175-G177 PolarHBondContact O-N 3.14Å
178D89.7Confident82.6Confident92 Ų9298.8 Ų98.849%0.49251%0.51SS..PPolyproline II helixtrans-76.2127.7174.4-174-0.4000111.2S180 Q181D178-S180 PolarHBondContact O-N 3.4Å; D178-S180 PolarHBondContact OD1-N 2.58Å; D178-S180 PolarHBondContact OD1-OG 3.19Å; D178-S180 WeakPolarHBondContact OD2-CB 3.38Å; D178-S180 PolarHBondContact OD2-OG 3.48Å; D178-Q181 HydrophobicContact CB-CG 4.39Å; D178-Q181 WeakPolarHBondContact O-CB 3.35Å; D178-Q181 PolarHBondContact O-N 3.3Å; D178-Q181 VanDerWaalsContact O-N 3.09Å
179R87Confident82.1Confident156 Ų15699.7 Ų99.759%0.58951%0.513SS*.G310 helixtrans-66.5-15.2174.5-71.5-179177.5-89.2-1.4113.3P54 Q181 C182P54-R179 HydrophobicContact CG-CG 3.92Å; R179-Q181 PolarHBondContact O-N 3.41Å; R179-C182 VanDerWaalsContact CA-SG 3.55Å; R179-C182 VanDerWaalsContact O-CB 3.29Å; R179-C182 WeakPolarHBondContact O-CB 2.88Å; R179-C182 PolarHBondContact O-N 2.89Å; R179-C182 VanDerWaalsContact O-N 3.16Å; R179-C182 PolarHBondContact O-SG 3.27Å
180S84.9Confident82.1Confident89 Ų8997.5 Ų97.562%0.62250%0.5SS*.G310 helixtrans-62.6-22.1170.677.90000112.6D178D178-S180 PolarHBondContact O-N 3.4Å; D178-S180 PolarHBondContact OD1-N 2.58Å; D178-S180 PolarHBondContact OD1-OG 3.19Å; D178-S180 WeakPolarHBondContact OD2-CB 3.38Å; D178-S180 PolarHBondContact OD2-OG 3.48Å
181Q73.7Confident82Confident118 Ų11893.1 Ų93.155%0.55149%0.486SS*.G310 helixtrans-85.7-8.7177.6-57.3-179.62.100113.4D178 R179 L183D178-Q181 HydrophobicContact CB-CG 4.39Å; D178-Q181 WeakPolarHBondContact O-CB 3.35Å; D178-Q181 PolarHBondContact O-N 3.3Å; D178-Q181 VanDerWaalsContact O-N 3.09Å; R179-Q181 PolarHBondContact O-N 3.41Å; Q181-L183 PolarHBondContact O-N 2.93Å
182C82.3Confident81.4Confident25 Ų2597.1 Ų97.117%0.16950%0.495CS..SBendtrans-56.2116.4167.4-53.10000106.7C47 R179 L184C47-C182 HydrophobicContact CB-CB 3.63Å; C47-C182 WeakPolarHBondContact CB-SG 3.14Å; C47-C182 VanDerWaalsContact SG-CA 3.51Å; C47-C182 WeakPolarHBondContact SG-CB 3.42Å; C47-C182 CovalentContact SG-SG 1.99Å; C47-C182 PolarHBondContact SG-SG 2.91Å; R179-C182 VanDerWaalsContact CA-SG 3.55Å; R179-C182 VanDerWaalsContact O-CB 3.29Å; R179-C182 WeakPolarHBondContact O-CB 2.88Å; R179-C182 PolarHBondContact O-N 2.89Å; R179-C182 VanDerWaalsContact O-N 3.16Å; R179-C182 PolarHBondContact O-SG 3.27Å; C182-L184 PolarHBondContact O-N 2.89Å
183L71.6Confident80.2Confident114 Ų11497.6 Ų97.660%0.59750%0.503SS*.  trans-51.4113.9172.4-73.2171.9000107.4L46 Q181 N185L46-L183 HydrophobicContact CD1-CD1 4.17Å; L46-L183 HydrophobicContact CD2-CD1 3.74Å; L46-L183 HydrophobicContact CD2-CG 3.83Å; Q181-L183 PolarHBondContact O-N 2.93Å; L183-N185 PolarHBondContact O-N 2.99Å
184L57Low78.9Confident163 Ų163104.9 Ų104.985%0.85354%0.54SS*.  trans-58.8115.9170-64.6174.9000105C182 E186C182-L184 PolarHBondContact O-N 2.89Å; L184-E186 PolarHBondContact O-N 3.2Å
185N50.5Low77.3Confident158 Ų158113 Ų11385%0.84558%0.583SS**  trans-41.2122.4-173.3-55.2-58.8000111.9L183L183-N185 PolarHBondContact O-N 2.99Å
186E41.9Very low75.4Confident267 Ų267115.5 Ų115.5100%1.24859%0.588SS**  trans-92.10145.6-70.2-172.4162.400108.3L184L184-E186 PolarHBondContact O-N 3.2Å

Retrieved 186 of 186 residues in 59.4 ms (Link to these results)

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