G4VCF5_SCHMA Loading...

Putative eukaryotic translation initiation factor 4e

AlphaFold DB , UniProt , Accession G4VCF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 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
1M56.4Low71.9Confident182 Ų182106.5 Ų106.590%0.89755%0.554SS**  0108.10-154.6173.4-82.900106.6E5M1-E5 WeakPolarHBondContact CA-OE2 3.25Å; M1-E5 HydrophobicContact CG-CB 4.28Å
2T73Confident72.1Confident78 Ų78103.1 Ų103.148%0.47954%0.537SS..  trans-79.6157.9-176.862.80000110.5V4 E5 S6T2-V4 PolarHBondContact O-N 3.03Å; T2-E5 PolarHBondContact N-OE2 3.13Å; T2-E5 PolarHBondContact O-N 3.45Å; T2-E5 WeakPolarHBondContact OG1-CG 3.42Å; T2-E5 PolarHBondContact OG1-N 2.84Å; T2-S6 PolarHBondContact O-N 3.34Å; T2-S6 PolarHBondContact O-OG 2.85Å
3A74.7Confident72.1Confident70 Ų70103.8 Ų103.858%0.57954%0.536SS*.Hα-helixtrans-56.1-31.7176.600000112.5S6 E7A3-S6 VanDerWaalsContact C-OG 3.31Å; A3-S6 WeakPolarHBondContact CA-OG 3.45Å; A3-S6 PolarHBondContact O-N 2.9Å; A3-S6 PolarHBondContact O-OG 3.16Å; A3-E7 WeakPolarHBondContact O-CG 3.35Å; A3-E7 PolarHBondContact O-N 3.41Å; A3-E7 VanDerWaalsContact O-N 3.08Å
4V73.9Confident71.7Confident105 Ų105106 Ų10664%0.63654%0.54SS*.Hα-helixtrans-68.7-41.1176.7-177.30000111.7T2 S6 E7 Q8T2-V4 PolarHBondContact O-N 3.03Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.06Å; V4-E7 PolarHBondContact O-N 3.03Å; V4-Q8 PolarHBondContact O-N 3.07Å
5E73.5Confident71.2Confident109 Ų109106.7 Ų106.751%0.50954%0.54SS..Hα-helixtrans-65.1-35.1175.8-73.3166.5173.100111.9M1 T2 R9M1-E5 WeakPolarHBondContact CA-OE2 3.25Å; M1-E5 HydrophobicContact CG-CB 4.28Å; T2-E5 PolarHBondContact N-OE2 3.13Å; T2-E5 PolarHBondContact O-N 3.45Å; T2-E5 WeakPolarHBondContact OG1-CG 3.42Å; T2-E5 PolarHBondContact OG1-N 2.84Å; E5-R9 WeakPolarHBondContact O-CB 3.5Å; E5-R9 PolarHBondContact O-N 3.17Å
6S71.9Confident70.7Confident55 Ų55109.3 Ų109.339%0.38555%0.546SS..Hα-helixtrans-70.3-40.1174.9460000113T2 A3 V4 R9 V10T2-S6 PolarHBondContact O-N 3.34Å; T2-S6 PolarHBondContact O-OG 2.85Å; A3-S6 VanDerWaalsContact C-OG 3.31Å; A3-S6 WeakPolarHBondContact CA-OG 3.45Å; A3-S6 PolarHBondContact O-N 2.9Å; A3-S6 PolarHBondContact O-OG 3.16Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.06Å; S6-R9 PolarHBondContact O-N 2.86Å; S6-V10 WeakPolarHBondContact O-CG2 3.49Å; S6-V10 PolarHBondContact O-N 3.33Å; S6-V10 VanDerWaalsContact O-N 3.14Å
7E73.9Confident70.2Confident130 Ų130110.7 Ų110.761%0.60755%0.551SS**Hα-helixtrans-67.5-39.4177.9-75.2178.7174.600112.2A3 V4 V10 K11A3-E7 WeakPolarHBondContact O-CG 3.35Å; A3-E7 PolarHBondContact O-N 3.41Å; A3-E7 VanDerWaalsContact O-N 3.08Å; V4-E7 PolarHBondContact O-N 3.03Å; E7-V10 PolarHBondContact O-N 3.05Å; E7-K11 WeakPolarHBondContact O-CG 3.36Å; E7-K11 PolarHBondContact O-N 3.44Å
8Q72.2Confident69.8Low97 Ų97113.9 Ų113.945%0.45356%0.564SS.*Hα-helixtrans-65.6-41.5176.7-168.561.234.500111.3V4 V10 K11 D12V4-Q8 PolarHBondContact O-N 3.07Å; Q8-V10 VanDerWaalsContact C-N 3.33Å; Q8-V10 PolarHBondContact O-N 3.36Å; Q8-K11 WeakPolarHBondContact O-CB 3.06Å; Q8-K11 PolarHBondContact O-N 3.46Å; Q8-K11 VanDerWaalsContact O-N 3.16Å; Q8-D12 PolarHBondContact NE2-OD1 2.83Å; Q8-D12 PolarHBondContact O-N 2.99Å
9R73.7Confident69.8Low148 Ų148116.4 Ų116.456%0.55857%0.574SS**Hα-helixtrans-63.6-38.1178.1-157.7174.9-173.1178.72.8112.7E5 S6 E13E5-R9 WeakPolarHBondContact O-CB 3.5Å; E5-R9 PolarHBondContact O-N 3.17Å; S6-R9 PolarHBondContact O-N 2.86Å; R9-E13 WeakPolarHBondContact O-CB 3.3Å; R9-E13 VanDerWaalsContact O-CG 3.3Å; R9-E13 WeakPolarHBondContact O-CG 3.38Å; R9-E13 PolarHBondContact O-N 2.68Å
10V74.8Confident69.9Low79 Ų79117.6 Ų117.648%0.47958%0.576SS.*Hα-helixtrans-68.6-35.2174.7173.20000111.8S6 E7 Q8 K14S6-V10 WeakPolarHBondContact O-CG2 3.49Å; S6-V10 PolarHBondContact O-N 3.33Å; S6-V10 VanDerWaalsContact O-N 3.14Å; E7-V10 PolarHBondContact O-N 3.05Å; Q8-V10 VanDerWaalsContact C-N 3.33Å; Q8-V10 PolarHBondContact O-N 3.36Å; V10-K14 WeakPolarHBondContact O-CG 3.33Å; V10-K14 PolarHBondContact O-N 2.92Å
11K73.5Confident70.4Confident119 Ų119117.4 Ų117.452%0.51758%0.584SS.*Hα-helixtrans-67.3-47.8172.9-76.6-179.2178.5178.80111.7E7 Q8 E13 K14 E15E7-K11 WeakPolarHBondContact O-CG 3.36Å; E7-K11 PolarHBondContact O-N 3.44Å; Q8-K11 WeakPolarHBondContact O-CB 3.06Å; Q8-K11 PolarHBondContact O-N 3.46Å; Q8-K11 VanDerWaalsContact O-N 3.16Å; K11-E13 VanDerWaalsContact C-N 3.27Å; K11-E13 PolarHBondContact O-N 2.8Å; K11-K14 PolarHBondContact O-N 2.73Å; K11-K14 VanDerWaalsContact O-N 3.13Å; K11-E15 WeakPolarHBondContact O-CG 3.45Å; K11-E15 PolarHBondContact O-N 3.38Å
12D73.3Confident72Confident65 Ų65119.6 Ų119.635%0.34858%0.582SS.*Hα-helixtrans-62.4-34.8178.6-62.4-8.3000111.4Q8 K16Q8-D12 PolarHBondContact NE2-OD1 2.83Å; Q8-D12 PolarHBondContact O-N 2.99Å; D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 VanDerWaalsContact O-CG 3.25Å; D12-K16 WeakPolarHBondContact O-CG 3.39Å; D12-K16 PolarHBondContact O-N 2.96Å
13E73Confident73Confident112 Ų112119.5 Ų119.552%0.52358%0.583SS.*Hα-helixtrans-69.4-39.7173.7-77.9174.4-178.700112.4R9 K11 K16 E17R9-E13 WeakPolarHBondContact O-CB 3.3Å; R9-E13 VanDerWaalsContact O-CG 3.3Å; R9-E13 WeakPolarHBondContact O-CG 3.38Å; R9-E13 PolarHBondContact O-N 2.68Å; K11-E13 VanDerWaalsContact C-N 3.27Å; K11-E13 PolarHBondContact O-N 2.8Å; E13-K16 PolarHBondContact O-N 3.29Å; E13-E17 PolarHBondContact O-N 3.17Å
14K65.7Low74.1Confident135 Ų135121.2 Ų121.259%0.58758%0.579SS**Hα-helixtrans-67.6-42.6174.3-80.9-175.1173.2-171.90112.9V10 K11 K16 E17 E18V10-K14 WeakPolarHBondContact O-CG 3.33Å; V10-K14 PolarHBondContact O-N 2.92Å; K11-K14 PolarHBondContact O-N 2.73Å; K11-K14 VanDerWaalsContact O-N 3.13Å; K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 2.74Å; K14-E17 PolarHBondContact O-N 3.21Å; K14-E17 VanDerWaalsContact O-N 3.17Å; K14-E18 PolarHBondContact O-N 3.45Å
15E64.7Low75.3Confident117 Ų117121.5 Ų121.555%0.54758%0.582SS.*Hα-helixtrans-62.6-38.6175.5-73.3177.4-176.600110.7K11 E18 E19K11-E15 WeakPolarHBondContact O-CG 3.45Å; K11-E15 PolarHBondContact O-N 3.38Å; E15-E18 PolarHBondContact O-N 2.97Å; E15-E19 PolarHBondContact O-N 3.07Å
16K63.1Low76.5Confident147 Ų147117.5 Ų117.564%0.63956%0.564SS**Hα-helixtrans-68.6-30.5172.8-78.1177.7-179.7179.40114.3D12 E13 K14D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 VanDerWaalsContact O-CG 3.25Å; D12-K16 WeakPolarHBondContact O-CG 3.39Å; D12-K16 PolarHBondContact O-N 2.96Å; E13-K16 PolarHBondContact O-N 3.29Å; K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 2.74Å
17E62.3Low77.8Confident134 Ų134121.3 Ų121.363%0.62658%0.576SS**Hα-helixtrans-71.1-35.8171.2-81.1-168.915200111.9E13 K14 E19 K20E13-E17 PolarHBondContact O-N 3.17Å; K14-E17 PolarHBondContact O-N 3.21Å; K14-E17 VanDerWaalsContact O-N 3.17Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-K20 PolarHBondContact O-N 2.96Å
18E63.1Low78.9Confident169 Ų169117.1 Ų117.179%0.7956%0.558SS**Hα-helixtrans-70.9-23.6174.6-72.3-175.5178.400113.2K14 E15K14-E18 PolarHBondContact O-N 3.45Å; E15-E18 PolarHBondContact O-N 2.97Å
19E69.4Low80.2Confident160 Ų160114.4 Ų114.475%0.74855%0.55SS*.THydrogen-bonded Turntrans-80.6-9.3174.3-81.6-169.5160.300114.7E15 E17 P21E15-E19 PolarHBondContact O-N 3.07Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E19-P21 WeakPolarHBondContact O-CD 3.36Å
20K72Confident81.4Confident141 Ų141107.4 Ų107.461%0.61352%0.523SS*.SBendtrans-63.5125.8175-74.5-177.7-177.6170.10108.9E17 R22E17-K20 PolarHBondContact O-N 2.96Å; K20-R22 PolarHBondContact O-N 3.14Å
21P81.3Confident82.6Confident114 Ų114103.7 Ų103.774%0.7450%0.501SS*.PPolyproline II helixtrans-52.3129.2176-23.632.1000109.6E19E19-P21 WeakPolarHBondContact O-CD 3.36Å
22R88.9Confident83.8Confident227 Ų22798.1 Ų98.186%0.85748%0.476SS*.PPolyproline II helixtrans-64.9130.9175-61.6-176.4-157.2172.96.6107.8K20K20-R22 PolarHBondContact O-N 3.14Å
23P94.7Very high85Confident76 Ų7695.3 Ų95.349%0.49446%0.461SS..PPolyproline II helixtrans-56.9147.7177.2-24.533.5000111.6P25 T55 E57P23-P25 WeakPolarHBondContact O-CD 3.22Å; P23-T55 HydrophobicContact CB-CG2 3.65Å; P23-E57 WeakPolarHBondContact CA-OE2 3.27Å
24H98Very high86.1Confident107 Ų10791.3 Ų91.350%0.49544%0.443SS..  trans-86.5111.3178.2-62.380000108.9T55 I56 E57H24-T55 CarbonylContact O-C 3.54Å; H24-T55 WeakPolarHBondContact O-CA 3.43Å; H24-T55 WeakPolarHBondContact O-CB 3.47Å; H24-I56 HydrophobicContact CB-CB 4.1Å; H24-I56 HydrophobicContact CB-CD1 3.55Å; H24-I56 HydrophobicContact CB-CG1 3.83Å; H24-I56 PolarHBondContact O-N 3.27Å; H24-E57 IonicContact CE1-OE1 3.37Å; H24-E57 IonicContact CG-OE1 2.74Å; H24-E57 PolarHBondContact N-OE1 3.17Å; H24-E57 PolarHBondContact N-OE2 3.45Å; H24-E57 IonicContact ND1-OE1 2.92Å; H24-E57 PolarHBondContact ND1-OE1 3.37Å
25P98.3Very high87.7Confident110 Ų11085.5 Ų85.571%0.71442%0.418SS*.EExtended strand (participates in β ladder)trans-68.1142.1-178.229.4-34.7000110.9P23P23-P25 WeakPolarHBondContact O-CD 3.22Å
26L98.7Very high89.1Confident25 Ų2582.3 Ų82.313%0.13140%0.403CS..EExtended strand (participates in β ladder)trans-84.5160.7169.9-59.2176.7000110.5D28 F53 S54 I56 I122L26-D28 VanDerWaalsContact C-N 3.27Å; L26-D28 WeakPolarHBondContact CB-O 3.34Å; L26-D28 PolarHBondContact O-N 3.47Å; L26-F53 HydrophobicContact CD1-CD2 3.72Å; L26-F53 HydrophobicContact CD1-CE2 3.77Å; L26-S54 PolarHBondContact N-O 3.08Å; L26-I56 HydrophobicContact CD2-CG1 3.58Å; L26-I122 HydrophobicContact CD1-CB 4.19Å; L26-I122 HydrophobicContact CD2-CB 4.34Å; L26-I122 HydrophobicContact CD2-CD1 3.86Å
27Q98.5Very high90.4Very high136 Ų13681.9 Ų81.964%0.63640%0.401SS*.EExtended strand (participates in β ladder)trans-58.9-41.3172.2176.259.82000111.6
28D98.7Very high91.8Very high41 Ų4182.2 Ų82.222%0.21940%0.397CS..EExtended strand (participates in β ladder)trans-125.4155.2-179.8-68.8-77000111.7L26 W30 K82L26-D28 VanDerWaalsContact C-N 3.27Å; L26-D28 WeakPolarHBondContact CB-O 3.34Å; L26-D28 PolarHBondContact O-N 3.47Å; D28-W30 HydrophobicContact CB-CZ2 4.33Å; D28-W30 PolarHBondContact O-NE1 3.42Å; D28-K82 HydrophobicContact CB-CD 4.22Å; D28-K82 HydrophobicContact CB-CG 4.27Å; D28-K82 IonicContact OD1-NZ 3.2Å; D28-K82 WeakPolarHBondContact OD2-CE 3.38Å; D28-K82 IonicContact OD2-NZ 3.6Å; D28-K82 PolarHBondContact OD2-NZ 2.9Å
29S98.8Very high92.9Very high41 Ų4183.9 Ų83.929%0.28740%0.401SS..EExtended strand (participates in β ladder)trans-84.2134.1163.1163.70000109.1F53 S83S29-F53 WeakPolarHBondContact CA-O 3.47Å; S29-S83 VanDerWaalsContact CB-OG 3.31Å; S29-S83 WeakPolarHBondContact CB-OG 3.27Å; S29-S83 VanDerWaalsContact O-CB 3.27Å; S29-S83 WeakPolarHBondContact O-CB 3.16Å; S29-S83 PolarHBondContact O-N 2.72Å; S29-S83 PolarHBondContact O-OG 3.09Å; S29-S83 VanDerWaalsContact O-OG 3.09Å; S29-S83 WeakPolarHBondContact OG-CB 3.49Å; S29-S83 PolarHBondContact OG-OG 3.37Å
30W98.9Very high94Very high1 Ų180.8 Ų80.80%0.00440%0.404CS..EExtended strand (participates in β ladder)trans-118.6145.1-175.7-63.185.6000110.7D28 T52 F53 M80 F81 K82 L121 I122 I135D28-W30 HydrophobicContact CB-CZ2 4.33Å; D28-W30 PolarHBondContact O-NE1 3.42Å; W30-T52 CarbonylContact O-C 3.47Å; W30-T52 VanDerWaalsContact O-CA 3.24Å; W30-T52 WeakPolarHBondContact O-CA 3.35Å; W30-T52 WeakPolarHBondContact O-CG2 3.35Å; W30-F53 HydrophobicContact CB-CD1 4.4Å; W30-F53 HydrophobicContact CB-CD2 4.27Å; W30-F53 HydrophobicContact CB-CE1 3.83Å; W30-F53 HydrophobicContact CB-CE2 3.67Å; W30-F53 HydrophobicContact CB-CZ 3.43Å; W30-F53 VanDerWaalsContact CB-CZ 3.43Å; W30-F53 HydrophobicContact CG-CE2 4.06Å; W30-F53 HydrophobicContact CG-CZ 4.1Å; W30-F53 PolarHBondContact N-O 3.19Å; W30-F53 PolarHBondContact O-N 3.28Å; W30-M80 HydrophobicContact CB-CG 4.35Å; W30-M80 HydrophobicContact CD2-CE 4.03Å; W30-M80 HydrophobicContact CE3-CE 3.62Å; W30-M80 HydrophobicContact CE3-CG 4.08Å; W30-M80 HydrophobicContact CE3-SD 4.42Å; W30-M80 HydrophobicContact CH2-CE 4.44Å; W30-M80 HydrophobicContact CZ3-CE 3.86Å; W30-F81 CarbonylContact C-O 3.49Å; W30-F81 WeakPolarHBondContact CA-O 3.4Å; W30-K82 HydrophobicContact CD2-CG 4.43Å; W30-K82 HydrophobicContact CE3-CG 4.1Å; W30-K82 HydrophobicContact CH2-CD 4.46Å; W30-K82 HydrophobicContact CH2-CG 3.67Å; W30-K82 HydrophobicContact CZ2-CG 4.03Å; W30-K82 HydrophobicContact CZ3-CG 3.7Å; W30-L121 HydrophobicContact CH2-CB 4.05Å; W30-L121 HydrophobicContact CH2-CD2 4.21Å; W30-L121 HydrophobicContact CH2-CG 4.35Å; W30-L121 HydrophobicContact CZ2-CB 4.39Å; W30-L121 WeakPolarHBondContact CZ2-O 3.48Å; W30-L121 HydrophobicContact CZ3-CD2 4.2Å; W30-I122 HydrophobicContact CD2-CG2 4.2Å; W30-I122 HydrophobicContact CG-CG2 4.15Å; W30-I135 HydrophobicContact CH2-CG2 3.87Å; W30-I135 HydrophobicContact CZ3-CG2 4.49Å
31S98.8Very high94.9Very high0 Ų077 Ų770%039%0.39CS..EExtended strand (participates in β ladder)trans-112.6135.5170.6-71.20000110.5Y33 K49 A51 T52 M80 F81S31-Y33 WeakPolarHBondContact CB-OH 3.44Å; S31-Y33 WeakPolarHBondContact O-CD2 3.46Å; S31-Y33 WeakPolarHBondContact O-CE2 3.5Å; S31-K49 PolarHBondContact OG-NZ 2.62Å; S31-K49 VanDerWaalsContact OG-NZ 3.08Å; S31-A51 CarbonylContact C-O 3.51Å; S31-A51 WeakPolarHBondContact CA-O 3.33Å; S31-T52 PolarHBondContact OG-OG1 3.41Å; S31-M80 WeakPolarHBondContact O-CA 3.38Å; S31-F81 PolarHBondContact N-O 2.97Å; S31-F81 PolarHBondContact O-N 3.04Å
32Y98.8Very high95.4Very high2 Ų277 Ų771%0.00838%0.384CS..EExtended strand (participates in β ladder)trans-106.9134.4178.3-156.8-97.5000110L34 V50 A51 V62 L63 T66 L78 Y79 M80 W114 L118Y32-L34 HydrophobicContact CE1-CD2 4.25Å; Y32-V50 HydrophobicContact CD1-CG2 3.66Å; Y32-V50 HydrophobicContact CG-CG2 4.45Å; Y32-V50 WeakPolarHBondContact O-CG2 3.33Å; Y32-V50 PolarHBondContact O-N 3.15Å; Y32-A51 PolarHBondContact N-O 2.98Å; Y32-A51 PolarHBondContact O-N 3.11Å; Y32-V62 HydrophobicContact CD1-CG1 4.07Å; Y32-V62 HydrophobicContact CD2-CG1 4.25Å; Y32-V62 HydrophobicContact CG-CG1 3.86Å; Y32-L63 HydrophobicContact CE2-CD2 4.33Å; Y32-T66 HydrophobicContact CE1-CG2 4.42Å; Y32-L78 HydrophobicContact CE1-CD2 4.12Å; Y32-L78 WeakPolarHBondContact OH-CD1 3.47Å; Y32-Y79 CarbonylContact C-O 3.48Å; Y32-Y79 WeakPolarHBondContact CA-O 3.4Å; Y32-M80 HydrophobicContact CD2-CB 3.82Å; Y32-M80 HydrophobicContact CD2-CG 4.05Å; Y32-M80 HydrophobicContact CE2-CB 4.15Å; Y32-W114 HydrophobicContact CE2-CZ2 4.14Å; Y32-W114 PolarHBondContact OH-NE1 3.37Å; Y32-W114 VanDerWaalsContact OH-NE1 3.09Å; Y32-L118 HydrophobicContact CE2-CD1 4.09Å
33Y98.6Very high95.6Very high6 Ų671.6 Ų71.62%0.02436%0.363CS..EExtended strand (participates in β ladder)trans-132.7148.9-175.1-50.3-113000111.6S31 L47 E48 K49 Y79 P87S31-Y33 WeakPolarHBondContact CB-OH 3.44Å; S31-Y33 WeakPolarHBondContact O-CD2 3.46Å; S31-Y33 WeakPolarHBondContact O-CE2 3.5Å; Y33-L47 HydrophobicContact CD1-CD2 3.89Å; Y33-L47 HydrophobicContact CD1-CG 4.02Å; Y33-L47 HydrophobicContact CE1-CD2 4.37Å; Y33-L47 HydrophobicContact CG-CD1 4.44Å; Y33-L47 HydrophobicContact CG-CD2 4.46Å; Y33-L47 HydrophobicContact CG-CG 4.4Å; Y33-E48 CarbonylContact C-O 3.59Å; Y33-E48 WeakPolarHBondContact CA-O 3.34Å; Y33-E48 WeakPolarHBondContact CB-O 3.26Å; Y33-K49 HydrophobicContact CD1-CB 3.67Å; Y33-K49 HydrophobicContact CD1-CG 4.25Å; Y33-K49 HydrophobicContact CE1-CB 3.62Å; Y33-K49 HydrophobicContact CE1-CD 4.45Å; Y33-K49 HydrophobicContact CE1-CG 4Å; Y33-K49 HydrophobicContact CG-CB 4.48Å; Y33-K49 WeakPolarHBondContact OH-CE 3.05Å; Y33-K49 PolarHBondContact OH-NZ 2.93Å; Y33-Y79 PolarHBondContact N-O 3.42Å; Y33-Y79 PolarHBondContact O-N 2.85Å; Y33-P87 HydrophobicContact CD1-CG 4.05Å; Y33-P87 HydrophobicContact CD2-CG 3.9Å; Y33-P87 HydrophobicContact CE1-CG 4.05Å; Y33-P87 HydrophobicContact CE2-CG 3.93Å; Y33-P87 HydrophobicContact CG-CG 4Å
34L97.5Very high95.4Very high28 Ų2871.7 Ų71.715%0.14736%0.359CS..EExtended strand (participates in β ladder)trans-111.3125.9170.1-58.1-176.8000109.1Y32 E48 V50 L78Y32-L34 HydrophobicContact CE1-CD2 4.25Å; L34-E48 PolarHBondContact N-O 3.39Å; L34-E48 PolarHBondContact O-N 2.95Å; L34-V50 HydrophobicContact CB-CG1 4.35Å; L34-V50 HydrophobicContact CD1-CG1 3.76Å; L34-V50 HydrophobicContact CG-CG1 3.71Å; L34-V50 HydrophobicContact CG-CG2 4.14Å; L34-L78 HydrophobicContact CD2-CD2 3.2Å
35F97.6Very high95.2Very high14 Ų1471.8 Ų71.86%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-93.8126.7166.6176.1-89.3000109.4F37 W43 C46 L47 K76 D77 Y79F35-F37 HydrophobicContact CE1-CB 4.04Å; F35-F37 HydrophobicContact CZ-CB 4.3Å; F35-W43 HydrophobicContact CD2-CZ2 4.31Å; F35-W43 AromaticContact CE2-CD1 3.48Å; F35-W43 VanDerWaalsContact CE2-CD1 3.48Å; F35-W43 HydrophobicContact CE2-CD2 4.08Å; F35-W43 AromaticContact CE2-CE2 3.72Å; F35-W43 AromaticContact CE2-CG 3.94Å; F35-W43 HydrophobicContact CE2-CG 3.94Å; F35-W43 HydrophobicContact CE2-CZ2 4.39Å; F35-W43 AromaticContact CE2-NE1 3.33Å; F35-W43 VanDerWaalsContact CE2-NE1 3.33Å; F35-W43 WeakPolarHBondContact CE2-O 3.29Å; F35-W43 AromaticContact CZ-CD1 3.77Å; F35-W43 AromaticContact CZ-NE1 3.73Å; F35-C46 CarbonylContact C-O 3.54Å; F35-C46 WeakPolarHBondContact CA-O 3.45Å; F35-C46 HydrophobicContact CD2-CB 3.9Å; F35-C46 HydrophobicContact CE2-CB 3.5Å; F35-C46 VanDerWaalsContact CE2-CB 3.5Å; F35-C46 HydrophobicContact CZ-CB 3.99Å; F35-L47 HydrophobicContact CB-CD1 4.18Å; F35-K76 CarbonylContact O-C 3.6Å; F35-K76 WeakPolarHBondContact O-CA 3.22Å; F35-D77 HydrophobicContact CB-CB 3.98Å; F35-D77 HydrophobicContact CD1-CB 4.49Å; F35-D77 PolarHBondContact N-O 2.87Å; F35-D77 PolarHBondContact O-N 2.93Å; F35-Y79 HydrophobicContact CB-CD2 4.33Å; F35-Y79 HydrophobicContact CB-CE2 3.81Å
36Q94.7Very high95Very high50 Ų5066.9 Ų66.923%0.23433%0.329CS..EExtended strand (participates in β ladder)trans-136.8104.6176.2-58.5-171.646.800109.8R38 C46 K76Q36-R38 PolarHBondContact O-N 3.27Å; Q36-C46 PolarHBondContact N-O 3.4Å; Q36-C46 WeakPolarHBondContact O-CB 3.5Å; Q36-K76 HydrophobicContact CG-CD 4.04Å; Q36-K76 HydrophobicContact CG-CG 4.07Å
37F91.3Very high94.9Very high137 Ų13766.9 Ų66.960%0.60133%0.329SS*.  trans-57.7127.1-178.2177.2-103.6000112.2F35 K39F35-F37 HydrophobicContact CE1-CB 4.04Å; F35-F37 HydrophobicContact CZ-CB 4.3Å; F37-K39 HydrophobicContact CE1-CG 3.81Å; F37-K39 HydrophobicContact CZ-CG 4.28Å
38R90.4Very high94.8Very high142 Ų14265.4 Ų65.454%0.53632%0.321SS..  trans-126.1126.8172.2-64.7178.1-177.1179.24.9108.4Q36 A40 L41 C46Q36-R38 PolarHBondContact O-N 3.27Å; R38-A40 PolarHBondContact O-N 3.38Å; R38-L41 HydrophobicContact CB-CB 4.35Å; R38-L41 HydrophobicContact CB-CD1 3.94Å; R38-L41 HydrophobicContact CB-CG 4.07Å; R38-L41 HydrophobicContact CG-CD1 4.34Å; R38-L41 PolarHBondContact O-N 3.16Å; R38-L41 VanDerWaalsContact O-N 3.1Å; R38-C46 PolarHBondContact N-SG 3.09Å; R38-C46 VanDerWaalsContact N-SG 3.38Å
39K87.6Confident94.8Very high203 Ų20368.2 Ų68.288%0.88333%0.332SS*.THydrogen-bonded Turntrans-55.6-18.5-170.8-72.5-176.6178.6-179.50116.1F37F37-K39 HydrophobicContact CE1-CG 3.81Å; F37-K39 HydrophobicContact CZ-CG 4.28Å
40A92.1Very high94.7Very high96 Ų9669 Ų6979%0.79334%0.335SS*.THydrogen-bonded Turntrans-110.44.2-173.800000113.7R38R38-A40 PolarHBondContact O-N 3.38Å
41L91.2Very high94.7Very high61 Ų6170.2 Ų70.232%0.31935%0.345SS..SBendtrans-113.7149.5-177.7-65.4-173.8000110R38 E45R38-L41 HydrophobicContact CB-CB 4.35Å; R38-L41 HydrophobicContact CB-CD1 3.94Å; R38-L41 HydrophobicContact CB-CG 4.07Å; R38-L41 HydrophobicContact CG-CD1 4.34Å; R38-L41 PolarHBondContact O-N 3.16Å; R38-L41 VanDerWaalsContact O-N 3.1Å; L41-E45 WeakPolarHBondContact CA-OE2 3.42Å; L41-E45 HydrophobicContact CB-CB 3.84Å; L41-E45 HydrophobicContact CD1-CB 4.25Å; L41-E45 HydrophobicContact CD2-CB 4.33Å; L41-E45 WeakPolarHBondContact CD2-OE2 3.42Å; L41-E45 HydrophobicContact CG-CB 4.35Å
42D92Very high94.7Very high115 Ų11574 Ų7462%0.61537%0.368SS*.  trans-66.3166.6166.7-73.5-32.3000110.6D44 E45 C46D42-D44 VanDerWaalsContact C-N 3.35Å; D42-D44 PolarHBondContact O-N 3.43Å; D42-E45 HydrophobicContact CB-CG 4.27Å; D42-E45 PolarHBondContact N-OE2 2.87Å; D42-E45 PolarHBondContact O-N 3Å; D42-C46 PolarHBondContact O-N 3.42Å; D42-C46 PolarHBondContact O-SG 2.97Å
43W92Very high94.7Very high112 Ų11274.1 Ų74.142%0.42437%0.369SS..THydrogen-bonded Turntrans-62.2-42-172.9179.693.8000112.4F35 C46 P87 K88F35-W43 HydrophobicContact CD2-CZ2 4.31Å; F35-W43 AromaticContact CE2-CD1 3.48Å; F35-W43 VanDerWaalsContact CE2-CD1 3.48Å; F35-W43 HydrophobicContact CE2-CD2 4.08Å; F35-W43 AromaticContact CE2-CE2 3.72Å; F35-W43 AromaticContact CE2-CG 3.94Å; F35-W43 HydrophobicContact CE2-CG 3.94Å; F35-W43 HydrophobicContact CE2-CZ2 4.39Å; F35-W43 AromaticContact CE2-NE1 3.33Å; F35-W43 VanDerWaalsContact CE2-NE1 3.33Å; F35-W43 WeakPolarHBondContact CE2-O 3.29Å; F35-W43 AromaticContact CZ-CD1 3.77Å; F35-W43 AromaticContact CZ-NE1 3.73Å; W43-C46 WeakPolarHBondContact O-CB 3.19Å; W43-C46 PolarHBondContact O-N 3.47Å; W43-P87 WeakPolarHBondContact CH2-O 3.44Å; W43-K88 HydrophobicContact CH2-CB 4.45Å; W43-K88 HydrophobicContact CZ3-CB 3.89Å
44D90.8Very high94.7Very high78 Ų7876.7 Ų76.742%0.41739%0.387SS..THydrogen-bonded Turntrans-74-29.5-179.961.1-23.6000112.2D42 C46 L47D42-D44 VanDerWaalsContact C-N 3.35Å; D42-D44 PolarHBondContact O-N 3.43Å; D44-C46 PolarHBondContact O-N 2.99Å; D44-L47 WeakPolarHBondContact O-CB 3.35Å; D44-L47 PolarHBondContact O-N 2.89Å; D44-L47 VanDerWaalsContact O-N 3.12Å
45E93.4Very high94.8Very high110 Ų11076.1 Ų76.151%0.51439%0.385SS..THydrogen-bonded Turntrans-67.8-21.2169.9-64.9-174.6133.400113L41 D42 L47L41-E45 WeakPolarHBondContact CA-OE2 3.42Å; L41-E45 HydrophobicContact CB-CB 3.84Å; L41-E45 HydrophobicContact CD1-CB 4.25Å; L41-E45 HydrophobicContact CD2-CB 4.33Å; L41-E45 WeakPolarHBondContact CD2-OE2 3.42Å; L41-E45 HydrophobicContact CG-CB 4.35Å; D42-E45 HydrophobicContact CB-CG 4.27Å; D42-E45 PolarHBondContact N-OE2 2.87Å; D42-E45 PolarHBondContact O-N 3Å; E45-L47 PolarHBondContact O-N 3.24Å
46C95Very high94.8Very high7 Ų778.6 Ų78.65%0.04740%0.398CS..THydrogen-bonded Turntrans-79.1-5.9172.6-65.70000113.2F35 Q36 R38 D42 W43 D44F35-C46 CarbonylContact C-O 3.54Å; F35-C46 WeakPolarHBondContact CA-O 3.45Å; F35-C46 HydrophobicContact CD2-CB 3.9Å; F35-C46 HydrophobicContact CE2-CB 3.5Å; F35-C46 VanDerWaalsContact CE2-CB 3.5Å; F35-C46 HydrophobicContact CZ-CB 3.99Å; Q36-C46 PolarHBondContact N-O 3.4Å; Q36-C46 WeakPolarHBondContact O-CB 3.5Å; R38-C46 PolarHBondContact N-SG 3.09Å; R38-C46 VanDerWaalsContact N-SG 3.38Å; D42-C46 PolarHBondContact O-N 3.42Å; D42-C46 PolarHBondContact O-SG 2.97Å; W43-C46 WeakPolarHBondContact O-CB 3.19Å; W43-C46 PolarHBondContact O-N 3.47Å; D44-C46 PolarHBondContact O-N 2.99Å
47L96.5Very high95Very high25 Ų2579.4 Ų79.413%0.13140%0.402CS..EExtended strand (participates in β ladder)trans-101.5120-178.4-176.786.6000110.5Y33 F35 D44 E45 Y79 P87Y33-L47 HydrophobicContact CD1-CD2 3.89Å; Y33-L47 HydrophobicContact CD1-CG 4.02Å; Y33-L47 HydrophobicContact CE1-CD2 4.37Å; Y33-L47 HydrophobicContact CG-CD1 4.44Å; Y33-L47 HydrophobicContact CG-CD2 4.46Å; Y33-L47 HydrophobicContact CG-CG 4.4Å; F35-L47 HydrophobicContact CB-CD1 4.18Å; D44-L47 WeakPolarHBondContact O-CB 3.35Å; D44-L47 PolarHBondContact O-N 2.89Å; D44-L47 VanDerWaalsContact O-N 3.12Å; E45-L47 PolarHBondContact O-N 3.24Å; L47-Y79 HydrophobicContact CD1-CD2 3.77Å; L47-Y79 HydrophobicContact CD1-CE2 4.11Å; L47-Y79 HydrophobicContact CD1-CG 4.26Å; L47-P87 HydrophobicContact CD1-CG 4.27Å; L47-P87 HydrophobicContact CD2-CG 3.31Å; L47-P87 HydrophobicContact CG-CG 4.33Å
48E96.2Very high95.3Very high104 Ų10476.5 Ų76.549%0.48639%0.393SS..EExtended strand (participates in β ladder)trans-116.4123.9-177.6-177.3177.5-174.600110.5Y33 L34 V50Y33-E48 CarbonylContact C-O 3.59Å; Y33-E48 WeakPolarHBondContact CA-O 3.34Å; Y33-E48 WeakPolarHBondContact CB-O 3.26Å; L34-E48 PolarHBondContact N-O 3.39Å; L34-E48 PolarHBondContact O-N 2.95Å; E48-V50 HydrophobicContact CG-CG1 4.38Å; E48-V50 PolarHBondContact O-N 3.28Å
49K98.2Very high95.7Very high100 Ų10069.8 Ų69.844%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-72.9119170.4-175.5-178.3-64.6-149.10109S31 Y33S31-K49 PolarHBondContact OG-NZ 2.62Å; S31-K49 VanDerWaalsContact OG-NZ 3.08Å; Y33-K49 HydrophobicContact CD1-CB 3.67Å; Y33-K49 HydrophobicContact CD1-CG 4.25Å; Y33-K49 HydrophobicContact CE1-CB 3.62Å; Y33-K49 HydrophobicContact CE1-CD 4.45Å; Y33-K49 HydrophobicContact CE1-CG 4Å; Y33-K49 HydrophobicContact CG-CB 4.48Å; Y33-K49 WeakPolarHBondContact OH-CE 3.05Å; Y33-K49 PolarHBondContact OH-NZ 2.93Å
50V97.9Very high96.2Very high59 Ų5965.1 Ų65.136%0.35834%0.344SS..EExtended strand (participates in β ladder)trans-104.3-22.1-178.4-63.60000113.8Y32 L34 E48 T66Y32-V50 HydrophobicContact CD1-CG2 3.66Å; Y32-V50 HydrophobicContact CG-CG2 4.45Å; Y32-V50 WeakPolarHBondContact O-CG2 3.33Å; Y32-V50 PolarHBondContact O-N 3.15Å; L34-V50 HydrophobicContact CB-CG1 4.35Å; L34-V50 HydrophobicContact CD1-CG1 3.76Å; L34-V50 HydrophobicContact CG-CG1 3.71Å; L34-V50 HydrophobicContact CG-CG2 4.14Å; E48-V50 HydrophobicContact CG-CG1 4.38Å; E48-V50 PolarHBondContact O-N 3.28Å; V50-T66 HydrophobicContact CG2-CG2 4.42Å
51A98.5Very high96.5Very high25 Ų2563.1 Ų63.121%0.20733%0.325CS..EExtended strand (participates in β ladder)trans-156.1158.2176.200000112.3S31 Y32 V62S31-A51 CarbonylContact C-O 3.51Å; S31-A51 WeakPolarHBondContact CA-O 3.33Å; Y32-A51 PolarHBondContact N-O 2.98Å; Y32-A51 PolarHBondContact O-N 3.11Å; A51-V62 HydrophobicContact CB-CB 4.48Å; A51-V62 HydrophobicContact CB-CG1 4.15Å; A51-V62 HydrophobicContact CB-CG2 3.45Å; A51-V62 VanDerWaalsContact CB-CG2 3.45Å
52T98.7Very high96.9Very high80 Ų8061.1 Ų61.149%0.49132%0.315SS..EExtended strand (participates in β ladder)trans-133.5132.7162.3-60.70000107.7W30 S31W30-T52 CarbonylContact O-C 3.47Å; W30-T52 VanDerWaalsContact O-CA 3.24Å; W30-T52 WeakPolarHBondContact O-CA 3.35Å; W30-T52 WeakPolarHBondContact O-CG2 3.35Å; S31-T52 PolarHBondContact OG-OG1 3.41Å
53F98.8Very high97.1Very high5 Ų556 Ų562%0.02229%0.288CS..EExtended strand (participates in β ladder)trans-141.4151.4-175.262.2-89.9000111L26 S29 W30 D58 F59 V62 M80 I122L26-F53 HydrophobicContact CD1-CD2 3.72Å; L26-F53 HydrophobicContact CD1-CE2 3.77Å; S29-F53 WeakPolarHBondContact CA-O 3.47Å; W30-F53 HydrophobicContact CB-CD1 4.4Å; W30-F53 HydrophobicContact CB-CD2 4.27Å; W30-F53 HydrophobicContact CB-CE1 3.83Å; W30-F53 HydrophobicContact CB-CE2 3.67Å; W30-F53 HydrophobicContact CB-CZ 3.43Å; W30-F53 VanDerWaalsContact CB-CZ 3.43Å; W30-F53 HydrophobicContact CG-CE2 4.06Å; W30-F53 HydrophobicContact CG-CZ 4.1Å; W30-F53 PolarHBondContact N-O 3.19Å; W30-F53 PolarHBondContact O-N 3.28Å; F53-D58 HydrophobicContact CB-CB 3.59Å; F53-F59 HydrophobicContact CD2-CB 3.72Å; F53-F59 HydrophobicContact CE2-CB 3.63Å; F53-F59 AromaticContact CE2-CD2 3.66Å; F53-F59 HydrophobicContact CE2-CD2 3.66Å; F53-F59 HydrophobicContact CE2-CG 4.1Å; F53-F59 HydrophobicContact CZ-CB 4.4Å; F53-F59 AromaticContact CZ-CD2 3.71Å; F53-F59 HydrophobicContact CZ-CD2 3.71Å; F53-V62 HydrophobicContact CD1-CB 4.49Å; F53-V62 HydrophobicContact CD1-CG2 3.87Å; F53-V62 HydrophobicContact CG-CG2 4.46Å; F53-M80 HydrophobicContact CZ-CG 4.26Å; F53-M80 HydrophobicContact CZ-SD 3.78Å; F53-I122 HydrophobicContact CE2-CG2 3.95Å; F53-I122 HydrophobicContact CZ-CG2 4.19Å
54S98.6Very high97.4Very high59 Ų5955.7 Ų55.741%0.41330%0.298SS..EExtended strand (participates in β ladder)trans-140.315.1-179.758.90000112.8L26L26-S54 PolarHBondContact N-O 3.08Å
55T98.7Very high97.8Very high17 Ų1759.5 Ų59.510%0.10431%0.313CS..EExtended strand (participates in β ladder)trans-133.3155.8178.371.80000110.5P23 H24 E57 D58 F59P23-T55 HydrophobicContact CB-CG2 3.65Å; H24-T55 CarbonylContact O-C 3.54Å; H24-T55 WeakPolarHBondContact O-CA 3.43Å; H24-T55 WeakPolarHBondContact O-CB 3.47Å; T55-E57 VanDerWaalsContact C-N 3.28Å; T55-E57 PolarHBondContact O-N 2.61Å; T55-D58 PolarHBondContact O-N 3.19Å; T55-D58 VanDerWaalsContact OG1-CB 3.26Å; T55-D58 WeakPolarHBondContact OG1-CB 3.32Å; T55-D58 PolarHBondContact OG1-N 2.98Å; T55-D58 PolarHBondContact OG1-OD2 2.83Å; T55-F59 WeakPolarHBondContact O-CB 3.28Å; T55-F59 PolarHBondContact O-N 2.68Å
56I98.5Very high97.9Very high65 Ų6555.8 Ų55.833%0.33330%0.298SS..Hα-helixtrans-61.7-39.5176-61.5179.7000110.5H24 L26 F59 W60H24-I56 HydrophobicContact CB-CB 4.1Å; H24-I56 HydrophobicContact CB-CD1 3.55Å; H24-I56 HydrophobicContact CB-CG1 3.83Å; H24-I56 PolarHBondContact O-N 3.27Å; L26-I56 HydrophobicContact CD2-CG1 3.58Å; I56-F59 WeakPolarHBondContact O-CB 3.49Å; I56-F59 PolarHBondContact O-N 3.31Å; I56-W60 PolarHBondContact O-N 3.48Å; I56-W60 VanDerWaalsContact O-N 3.1Å
57E98.1Very high97.9Very high67 Ų6758.2 Ų58.231%0.31331%0.313SS..Hα-helixtrans-65.3-42.8179.7-65.479.8-179.100112.1P23 H24 T55 W60 S61P23-E57 WeakPolarHBondContact CA-OE2 3.27Å; H24-E57 IonicContact CE1-OE1 3.37Å; H24-E57 IonicContact CG-OE1 2.74Å; H24-E57 PolarHBondContact N-OE1 3.17Å; H24-E57 PolarHBondContact N-OE2 3.45Å; H24-E57 IonicContact ND1-OE1 2.92Å; H24-E57 PolarHBondContact ND1-OE1 3.37Å; T55-E57 VanDerWaalsContact C-N 3.28Å; T55-E57 PolarHBondContact O-N 2.61Å; E57-W60 PolarHBondContact O-N 2.94Å; E57-S61 WeakPolarHBondContact O-CB 3.49Å; E57-S61 PolarHBondContact O-N 3.38Å; E57-S61 PolarHBondContact O-OG 3.46Å
58D98.3Very high97.9Very high76 Ų7659.8 Ų59.841%0.40632%0.317SS..Hα-helixtrans-69.7-37177-67.3-35.1000111.2F53 T55 W60 S61 V62F53-D58 HydrophobicContact CB-CB 3.59Å; T55-D58 PolarHBondContact O-N 3.19Å; T55-D58 VanDerWaalsContact OG1-CB 3.26Å; T55-D58 WeakPolarHBondContact OG1-CB 3.32Å; T55-D58 PolarHBondContact OG1-N 2.98Å; T55-D58 PolarHBondContact OG1-OD2 2.83Å; D58-W60 PolarHBondContact O-N 2.9Å; D58-S61 WeakPolarHBondContact O-CB 3.26Å; D58-S61 PolarHBondContact O-N 3.1Å; D58-V62 WeakPolarHBondContact O-CG2 3.5Å; D58-V62 PolarHBondContact O-N 3.44Å
59F98.7Very high98Very high1 Ų155 Ų550%0.00430%0.295CS..Hα-helixtrans-54.5-53.2172.4164-106.8000111.6F53 T55 I56 S61 V62 L63 L118 M119 I122F53-F59 HydrophobicContact CD2-CB 3.72Å; F53-F59 HydrophobicContact CE2-CB 3.63Å; F53-F59 AromaticContact CE2-CD2 3.66Å; F53-F59 HydrophobicContact CE2-CD2 3.66Å; F53-F59 HydrophobicContact CE2-CG 4.1Å; F53-F59 HydrophobicContact CZ-CB 4.4Å; F53-F59 AromaticContact CZ-CD2 3.71Å; F53-F59 HydrophobicContact CZ-CD2 3.71Å; T55-F59 WeakPolarHBondContact O-CB 3.28Å; T55-F59 PolarHBondContact O-N 2.68Å; I56-F59 WeakPolarHBondContact O-CB 3.49Å; I56-F59 PolarHBondContact O-N 3.31Å; F59-S61 VanDerWaalsContact C-N 3.27Å; F59-S61 PolarHBondContact O-N 3.39Å; F59-V62 PolarHBondContact O-N 2.93Å; F59-V62 VanDerWaalsContact O-N 3.17Å; F59-L63 HydrophobicContact CE1-CD1 4.02Å; F59-L63 HydrophobicContact CE2-CD1 3.75Å; F59-L63 HydrophobicContact CE2-CG 4.15Å; F59-L63 HydrophobicContact CZ-CD1 3.43Å; F59-L63 VanDerWaalsContact CZ-CD1 3.43Å; F59-L63 HydrophobicContact CZ-CG 4.28Å; F59-L63 PolarHBondContact O-N 2.96Å; F59-L63 VanDerWaalsContact O-N 3.17Å; F59-L118 HydrophobicContact CE2-CB 3.77Å; F59-L118 HydrophobicContact CE2-CD1 4.13Å; F59-L118 HydrophobicContact CZ-CB 3.86Å; F59-M119 HydrophobicContact CE1-CG 4.27Å; F59-M119 HydrophobicContact CZ-CG 4.41Å; F59-I122 HydrophobicContact CB-CD1 4.19Å; F59-I122 HydrophobicContact CD1-CD1 3.44Å; F59-I122 VanDerWaalsContact CD1-CD1 3.44Å; F59-I122 HydrophobicContact CD1-CG1 4.27Å; F59-I122 HydrophobicContact CD2-CD1 4.03Å; F59-I122 HydrophobicContact CD2-CG1 4.15Å; F59-I122 HydrophobicContact CD2-CG2 4.04Å; F59-I122 HydrophobicContact CE1-CD1 3.72Å; F59-I122 HydrophobicContact CE1-CG1 4.18Å; F59-I122 HydrophobicContact CE2-CD1 4.27Å; F59-I122 HydrophobicContact CE2-CG1 4.06Å; F59-I122 HydrophobicContact CE2-CG2 4.16Å; F59-I122 HydrophobicContact CG-CD1 3.6Å; F59-I122 HydrophobicContact CG-CG1 4.23Å; F59-I122 HydrophobicContact CZ-CD1 4.11Å; F59-I122 HydrophobicContact CZ-CG1 4.07Å
60W98.5Very high97.9Very high105 Ų10557.8 Ų57.840%0.39830%0.303SS..Hα-helixtrans-65.2-33.1177.7-73.3117000112.4I56 E57 D58 V62 L63 T64 M119I56-W60 PolarHBondContact O-N 3.48Å; I56-W60 VanDerWaalsContact O-N 3.1Å; E57-W60 PolarHBondContact O-N 2.94Å; D58-W60 PolarHBondContact O-N 2.9Å; W60-V62 VanDerWaalsContact C-N 3.35Å; W60-L63 HydrophobicContact CE3-CD1 4.26Å; W60-L63 HydrophobicContact CZ3-CD1 4.14Å; W60-L63 PolarHBondContact O-N 2.98Å; W60-T64 WeakPolarHBondContact O-CB 3.41Å; W60-T64 PolarHBondContact O-N 3.33Å; W60-T64 PolarHBondContact O-OG1 2.96Å; W60-M119 HydrophobicContact CH2-CG 4.18Å; W60-M119 HydrophobicContact CH2-SD 3.71Å; W60-M119 HydrophobicContact CZ2-CG 4.17Å; W60-M119 HydrophobicContact CZ2-SD 3.71Å
61S98.2Very high97.8Very high55 Ų5561.1 Ų61.139%0.38531%0.314SS..Hα-helixtrans-62.7-41.2173.9-62.60000111.5E57 D58 F59 T64 H65E57-S61 WeakPolarHBondContact O-CB 3.49Å; E57-S61 PolarHBondContact O-N 3.38Å; E57-S61 PolarHBondContact O-OG 3.46Å; D58-S61 WeakPolarHBondContact O-CB 3.26Å; D58-S61 PolarHBondContact O-N 3.1Å; F59-S61 VanDerWaalsContact C-N 3.27Å; F59-S61 PolarHBondContact O-N 3.39Å; S61-T64 PolarHBondContact O-N 3.37Å; S61-H65 WeakPolarHBondContact O-CB 3.19Å; S61-H65 PolarHBondContact O-N 3.46Å; S61-H65 VanDerWaalsContact O-N 3.08Å; S61-H65 PolarHBondContact O-ND1 3.42Å
62V98.5Very high97.6Very high18 Ų1860.7 Ų60.711%0.10931%0.308CS..Hα-helixtrans-62.3-47.9175.6171.90000111.2Y32 A51 F53 D58 F59 W60 T64 H65 T66Y32-V62 HydrophobicContact CD1-CG1 4.07Å; Y32-V62 HydrophobicContact CD2-CG1 4.25Å; Y32-V62 HydrophobicContact CG-CG1 3.86Å; A51-V62 HydrophobicContact CB-CB 4.48Å; A51-V62 HydrophobicContact CB-CG1 4.15Å; A51-V62 HydrophobicContact CB-CG2 3.45Å; A51-V62 VanDerWaalsContact CB-CG2 3.45Å; F53-V62 HydrophobicContact CD1-CB 4.49Å; F53-V62 HydrophobicContact CD1-CG2 3.87Å; F53-V62 HydrophobicContact CG-CG2 4.46Å; D58-V62 WeakPolarHBondContact O-CG2 3.5Å; D58-V62 PolarHBondContact O-N 3.44Å; F59-V62 PolarHBondContact O-N 2.93Å; F59-V62 VanDerWaalsContact O-N 3.17Å; W60-V62 VanDerWaalsContact C-N 3.35Å; V62-T64 VanDerWaalsContact C-N 3.29Å; V62-T64 PolarHBondContact O-N 3.24Å; V62-H65 PolarHBondContact O-N 2.94Å; V62-T66 HydrophobicContact CG1-CG2 4.3Å; V62-T66 WeakPolarHBondContact O-CB 3.43Å; V62-T66 VanDerWaalsContact O-CG2 3.31Å; V62-T66 WeakPolarHBondContact O-CG2 3.42Å; V62-T66 PolarHBondContact O-N 3.45Å; V62-T66 VanDerWaalsContact O-N 3.09Å; V62-T66 PolarHBondContact O-OG1 2.83Å
63L97.9Very high97.4Very high8 Ų860.9 Ų60.94%0.04231%0.309CS..Hα-helixtrans-66.7-30.5179.5-64.2-172.1000113.3Y32 F59 W60 L118Y32-L63 HydrophobicContact CE2-CD2 4.33Å; F59-L63 HydrophobicContact CE1-CD1 4.02Å; F59-L63 HydrophobicContact CE2-CD1 3.75Å; F59-L63 HydrophobicContact CE2-CG 4.15Å; F59-L63 HydrophobicContact CZ-CD1 3.43Å; F59-L63 VanDerWaalsContact CZ-CD1 3.43Å; F59-L63 HydrophobicContact CZ-CG 4.28Å; F59-L63 PolarHBondContact O-N 2.96Å; F59-L63 VanDerWaalsContact O-N 3.17Å; W60-L63 HydrophobicContact CE3-CD1 4.26Å; W60-L63 HydrophobicContact CZ3-CD1 4.14Å; W60-L63 PolarHBondContact O-N 2.98Å; L63-L118 HydrophobicContact CD1-CD1 4.41Å; L63-L118 HydrophobicContact CD2-CD1 3.83Å
64T97.9Very high97.2Very high106 Ų10668.1 Ų68.165%0.6534%0.338SS*.Hα-helixtrans-72.6-34.4177-59.30000112.4W60 S61 V62W60-T64 WeakPolarHBondContact O-CB 3.41Å; W60-T64 PolarHBondContact O-N 3.33Å; W60-T64 PolarHBondContact O-OG1 2.96Å; S61-T64 PolarHBondContact O-N 3.37Å; V62-T64 VanDerWaalsContact C-N 3.29Å; V62-T64 PolarHBondContact O-N 3.24Å
65H97.9Very high96.5Very high158 Ų15866.7 Ų66.773%0.73133%0.333SS*.Hα-helixtrans-101.86.2-174.5-62.696.3000113.9S61 V62S61-H65 WeakPolarHBondContact O-CB 3.19Å; S61-H65 PolarHBondContact O-N 3.46Å; S61-H65 VanDerWaalsContact O-N 3.08Å; S61-H65 PolarHBondContact O-ND1 3.42Å; V62-H65 PolarHBondContact O-N 2.94Å
66T96.4Very high96.4Very high31 Ų3169.8 Ų69.819%0.1935%0.345CS..SBendtrans-115.9161.9173.756.90000111Y32 V50 V62 R68Y32-T66 HydrophobicContact CE1-CG2 4.42Å; V50-T66 HydrophobicContact CG2-CG2 4.42Å; V62-T66 HydrophobicContact CG1-CG2 4.3Å; V62-T66 WeakPolarHBondContact O-CB 3.43Å; V62-T66 VanDerWaalsContact O-CG2 3.31Å; V62-T66 WeakPolarHBondContact O-CG2 3.42Å; V62-T66 PolarHBondContact O-N 3.45Å; V62-T66 VanDerWaalsContact O-N 3.09Å; V62-T66 PolarHBondContact O-OG1 2.83Å; T66-R68 PolarHBondContact O-N 3.03Å
67V95.1Very high96.3Very high59 Ų5966.8 Ų66.836%0.35833%0.33SS..  trans-63.6132.6-17957.10000110.8E71 I72V67-E71 HydrophobicContact CG2-CB 3.78Å; V67-I72 HydrophobicContact CB-CG1 4.34Å; V67-I72 HydrophobicContact CG1-CD1 4Å; V67-I72 HydrophobicContact CG1-CG1 3.72Å; V67-I72 HydrophobicContact CG2-CG1 3.79Å
68R97.1Very high96.4Very high57 Ų5763.7 Ų63.722%0.21532%0.315CS..  trans-69.5142.2178.1-65.5-64.5-63.1177.3-6.4110.9T66 R70 E71 I72 D111 D115T66-R68 PolarHBondContact O-N 3.03Å; R68-R70 VanDerWaalsContact C-N 3.26Å; R68-R70 HydrophobicContact CB-CG 4.46Å; R68-R70 PolarHBondContact O-N 3.46Å; R68-R70 VanDerWaalsContact O-N 3.1Å; R68-E71 HydrophobicContact CB-CG 4.27Å; R68-E71 WeakPolarHBondContact O-CA 3.47Å; R68-E71 WeakPolarHBondContact O-CB 3.15Å; R68-E71 PolarHBondContact O-N 3.01Å; R68-I72 WeakPolarHBondContact O-CG1 3.17Å; R68-I72 PolarHBondContact O-N 3.13Å; R68-D111 IonicContact CZ-OD2 2.68Å; R68-D111 IonicContact NE-OD2 2.81Å; R68-D111 PolarHBondContact NE-OD2 3.07Å; R68-D111 IonicContact NH2-OD2 2.83Å; R68-D111 PolarHBondContact NH2-OD2 2.65Å; R68-D111 VanDerWaalsContact NH2-OD2 3.08Å; R68-D115 IonicContact CZ-OD1 3.85Å; R68-D115 IonicContact CZ-OD2 2.9Å; R68-D115 IonicContact NH1-OD1 2.81Å; R68-D115 PolarHBondContact NH1-OD1 3.5Å; R68-D115 IonicContact NH1-OD2 2.97Å; R68-D115 PolarHBondContact NH1-OD2 3.5Å; R68-D115 VanDerWaalsContact NH1-OD2 3.14Å; R68-D115 IonicContact NH2-OD1 3.19Å; R68-D115 IonicContact NH2-OD2 3.74Å; R68-D115 PolarHBondContact NH2-OD2 3.17Å
69P97.2Very high96.4Very high5 Ų560.4 Ų60.43%0.03230%0.297CS..G310 helixtrans-44.5-44.4-179.7-31.634.7000115.2E71 I72 L78 V110 D111 W114 F140P69-E71 PolarHBondContact O-N 2.9Å; P69-I72 PolarHBondContact O-N 3.32Å; P69-L78 HydrophobicContact CG-CD1 4.39Å; P69-V110 HydrophobicContact CB-CB 4.12Å; P69-V110 HydrophobicContact CB-CG2 3.98Å; P69-D111 VanDerWaalsContact CD-OD1 3.29Å; P69-D111 WeakPolarHBondContact CD-OD1 3.42Å; P69-W114 HydrophobicContact CB-CB 4.37Å; P69-W114 HydrophobicContact CG-CB 3.55Å; P69-W114 VanDerWaalsContact CG-CD1 3.48Å; P69-W114 HydrophobicContact CG-CG 3.66Å; P69-F140 HydrophobicContact CB-CD1 4.07Å; P69-F140 HydrophobicContact CB-CE1 3.65Å; P69-F140 HydrophobicContact CB-CZ 3.93Å; P69-F140 WeakPolarHBondContact O-CE1 3.45Å
70R96.2Very high96.4Very high157 Ų15760.4 Ų60.459%0.59230%0.297SS*.G310 helixtrans-65.3-20.717970.8-175.3141.4-173-13.8114.9R68 V110 D111R68-R70 VanDerWaalsContact C-N 3.26Å; R68-R70 HydrophobicContact CB-CG 4.46Å; R68-R70 PolarHBondContact O-N 3.46Å; R68-R70 VanDerWaalsContact O-N 3.1Å; R70-V110 HydrophobicContact CB-CG2 3.86Å; R70-D111 WeakPolarHBondContact CB-OD1 3.4Å; R70-D111 WeakPolarHBondContact CG-OD1 3.04Å; R70-D111 IonicContact CZ-OD2 2.85Å; R70-D111 PolarHBondContact N-OD1 3.44Å; R70-D111 IonicContact NE-OD1 2.79Å; R70-D111 IonicContact NE-OD2 3.27Å; R70-D111 PolarHBondContact NE-OD2 2.98Å; R70-D111 IonicContact NH2-OD2 2.64Å; R70-D111 PolarHBondContact NH2-OD2 3.43Å
71E96.1Very high96.4Very high129 Ų12955.4 Ų55.460%0.60328%0.278SS*.G310 helixtrans-97.3-6.4-177.6-58.5-179171.800112.5V67 R68 P69 T73V67-E71 HydrophobicContact CG2-CB 3.78Å; R68-E71 HydrophobicContact CB-CG 4.27Å; R68-E71 WeakPolarHBondContact O-CA 3.47Å; R68-E71 WeakPolarHBondContact O-CB 3.15Å; R68-E71 PolarHBondContact O-N 3.01Å; P69-E71 PolarHBondContact O-N 2.9Å; E71-T73 PolarHBondContact O-N 3.06Å
72I94.5Very high96.4Very high16 Ų1653.5 Ų53.58%0.08226%0.263CS..PPolyproline II helixtrans-74.6125-176.5-58.8-177.2000110.6V67 R68 P69 K76 L78 F140 P142V67-I72 HydrophobicContact CB-CG1 4.34Å; V67-I72 HydrophobicContact CG1-CD1 4Å; V67-I72 HydrophobicContact CG1-CG1 3.72Å; V67-I72 HydrophobicContact CG2-CG1 3.79Å; R68-I72 WeakPolarHBondContact O-CG1 3.17Å; R68-I72 PolarHBondContact O-N 3.13Å; P69-I72 PolarHBondContact O-N 3.32Å; I72-K76 HydrophobicContact CG2-CB 3.66Å; I72-K76 VanDerWaalsContact CG2-O 3.32Å; I72-K76 WeakPolarHBondContact CG2-O 3.39Å; I72-L78 HydrophobicContact CD1-CD1 3.27Å; I72-L78 HydrophobicContact CD1-CD2 3.54Å; I72-L78 HydrophobicContact CD1-CG 3.37Å; I72-F140 HydrophobicContact CD1-CD1 4.14Å; I72-F140 HydrophobicContact CD1-CE1 4.17Å; I72-P142 HydrophobicContact CB-CG 4.08Å; I72-P142 HydrophobicContact CG2-CG 3.63Å
73T94.1Very high96.4Very high84 Ų8454.7 Ų54.752%0.51527%0.272SS..PPolyproline II helixtrans-65.3140.3173.257.80000111.4E71 G75 K76E71-T73 PolarHBondContact O-N 3.06Å; T73-G75 PolarHBondContact O-N 2.73Å; T73-K76 PolarHBondContact O-N 3.29Å; T73-K76 VanDerWaalsContact OG1-CD 3.31Å; T73-K76 WeakPolarHBondContact OG1-CD 3.06Å; T73-K76 VanDerWaalsContact OG1-CE 3.28Å; T73-K76 WeakPolarHBondContact OG1-CE 3.32Å
74Y93.6Very high96.5Very high157 Ų15760 Ų6062%0.61630%0.3SS*.THydrogen-bonded Turntrans-50.5135.7177.9-61.3-47.2000113.4P142 R143Y74-P142 HydrophobicContact CD1-CB 4.18Å; Y74-R143 VanDerWaalsContact CD1-C 3.45Å; Y74-R143 VanDerWaalsContact CE1-C 3.48Å
75G85.3Confident96.5Very high30 Ų3055.2 Ų55.231%0.30927%0.271SS..THydrogen-bonded Turntrans87.22.3-179.200000115.1T73 P142T73-G75 PolarHBondContact O-N 2.73Å; G75-P142 PolarHBondContact N-O 2.97Å
76K95.7Very high96.5Very high81 Ų8151.6 Ų51.635%0.35226%0.255SS..EExtended strand (participates in β ladder)trans-101.6129.1162.1-59.7-172.8-177-170.30109.2F35 Q36 I72 T73 P142F35-K76 CarbonylContact O-C 3.6Å; F35-K76 WeakPolarHBondContact O-CA 3.22Å; Q36-K76 HydrophobicContact CG-CD 4.04Å; Q36-K76 HydrophobicContact CG-CG 4.07Å; I72-K76 HydrophobicContact CG2-CB 3.66Å; I72-K76 VanDerWaalsContact CG2-O 3.32Å; I72-K76 WeakPolarHBondContact CG2-O 3.39Å; T73-K76 PolarHBondContact O-N 3.29Å; T73-K76 VanDerWaalsContact OG1-CD 3.31Å; T73-K76 WeakPolarHBondContact OG1-CD 3.06Å; T73-K76 VanDerWaalsContact OG1-CE 3.28Å; T73-K76 WeakPolarHBondContact OG1-CE 3.32Å; K76-P142 WeakPolarHBondContact O-CD 3.11Å; K76-P142 WeakPolarHBondContact O-CG 3.14Å
77D97.8Very high96.6Very high3 Ų350.1 Ų50.12%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-115154-177.7-55.1-8.8000110.1F35 Y79 F140 Q141 R143F35-D77 HydrophobicContact CB-CB 3.98Å; F35-D77 HydrophobicContact CD1-CB 4.49Å; F35-D77 PolarHBondContact N-O 2.87Å; F35-D77 PolarHBondContact O-N 2.93Å; D77-Y79 HydrophobicContact CB-CD2 4.29Å; D77-Y79 HydrophobicContact CB-CE2 3.64Å; D77-F140 VanDerWaalsContact CA-O 3.29Å; D77-F140 WeakPolarHBondContact CA-O 3.27Å; D77-F140 WeakPolarHBondContact CB-O 3.26Å; D77-Q141 HydrophobicContact CB-CG 4.32Å; D77-Q141 PolarHBondContact OD2-NE2 3.08Å; D77-R143 IonicContact OD1-CZ 2.65Å; D77-R143 IonicContact OD1-NH1 2.93Å; D77-R143 PolarHBondContact OD1-NH1 2.71Å; D77-R143 IonicContact OD1-NH2 2.9Å; D77-R143 PolarHBondContact OD1-NH2 2.95Å; D77-R143 IonicContact OD2-CZ 3.27Å; D77-R143 IonicContact OD2-NH2 3.17Å; D77-R143 PolarHBondContact OD2-NH2 3.35Å
78L98.5Very high96.8Very high2 Ų249.9 Ų49.91%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-106.5138.5171.4-54.1177000109.2Y32 L34 P69 I72 W114 V139 F140Y32-L78 HydrophobicContact CE1-CD2 4.12Å; Y32-L78 WeakPolarHBondContact OH-CD1 3.47Å; L34-L78 HydrophobicContact CD2-CD2 3.2Å; P69-L78 HydrophobicContact CG-CD1 4.39Å; I72-L78 HydrophobicContact CD1-CD1 3.27Å; I72-L78 HydrophobicContact CD1-CD2 3.54Å; I72-L78 HydrophobicContact CD1-CG 3.37Å; L78-W114 HydrophobicContact CB-CH2 4.38Å; L78-W114 HydrophobicContact CB-CZ2 3.75Å; L78-W114 HydrophobicContact CD1-CZ2 4.33Å; L78-V139 CarbonylContact O-C 3.55Å; L78-V139 VanDerWaalsContact O-CA 3.32Å; L78-V139 WeakPolarHBondContact O-CA 3.43Å; L78-V139 WeakPolarHBondContact O-CG1 3.12Å; L78-F140 HydrophobicContact CB-CB 4.22Å; L78-F140 HydrophobicContact CD1-CB 4.47Å; L78-F140 HydrophobicContact CD1-CD1 4.01Å; L78-F140 HydrophobicContact CG-CD1 4.27Å; L78-F140 PolarHBondContact N-O 3.45Å; L78-F140 PolarHBondContact O-N 2.84Å
79Y98.7Very high96.8Very high7 Ų750.4 Ų50.43%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-129135.5171.9-65-108.4000109.3Y32 Y33 F35 L47 D77 F81 P87 A138 V139Y32-Y79 CarbonylContact C-O 3.48Å; Y32-Y79 WeakPolarHBondContact CA-O 3.4Å; Y33-Y79 PolarHBondContact N-O 3.42Å; Y33-Y79 PolarHBondContact O-N 2.85Å; F35-Y79 HydrophobicContact CB-CD2 4.33Å; F35-Y79 HydrophobicContact CB-CE2 3.81Å; L47-Y79 HydrophobicContact CD1-CD2 3.77Å; L47-Y79 HydrophobicContact CD1-CE2 4.11Å; L47-Y79 HydrophobicContact CD1-CG 4.26Å; D77-Y79 HydrophobicContact CB-CD2 4.29Å; D77-Y79 HydrophobicContact CB-CE2 3.64Å; Y79-F81 HydrophobicContact CD1-CD2 4.42Å; Y79-F81 AromaticContact CD1-CE2 3.66Å; Y79-F81 HydrophobicContact CD1-CE2 3.66Å; Y79-F81 HydrophobicContact CD1-CZ 4.31Å; Y79-F81 HydrophobicContact CG-CE2 4.35Å; Y79-P87 HydrophobicContact CD1-CB 3.72Å; Y79-P87 HydrophobicContact CG-CB 4.12Å; Y79-A138 WeakPolarHBondContact CA-O 3.41Å; Y79-V139 HydrophobicContact CD1-CB 4.25Å; Y79-V139 HydrophobicContact CD1-CG1 3.85Å; Y79-V139 HydrophobicContact CD1-CG2 3.48Å; Y79-V139 VanDerWaalsContact CD1-CG2 3.48Å; Y79-V139 HydrophobicContact CD2-CG1 4.33Å; Y79-V139 HydrophobicContact CE1-CB 4.2Å; Y79-V139 HydrophobicContact CE1-CG1 3.51Å; Y79-V139 HydrophobicContact CE1-CG2 3.54Å; Y79-V139 HydrophobicContact CE2-CG1 4.04Å; Y79-V139 HydrophobicContact CG-CG1 4.21Å; Y79-V139 HydrophobicContact CG-CG2 4.34Å
80M98.9Very high96.8Very high0 Ų054.8 Ų54.80%026%0.262CS..EExtended strand (participates in β ladder)trans-128.7116.5169-174.6-169.583.300108.8W30 S31 Y32 F53 L118 L121 I122 G137 A138W30-M80 HydrophobicContact CB-CG 4.35Å; W30-M80 HydrophobicContact CD2-CE 4.03Å; W30-M80 HydrophobicContact CE3-CE 3.62Å; W30-M80 HydrophobicContact CE3-CG 4.08Å; W30-M80 HydrophobicContact CE3-SD 4.42Å; W30-M80 HydrophobicContact CH2-CE 4.44Å; W30-M80 HydrophobicContact CZ3-CE 3.86Å; S31-M80 WeakPolarHBondContact O-CA 3.38Å; Y32-M80 HydrophobicContact CD2-CB 3.82Å; Y32-M80 HydrophobicContact CD2-CG 4.05Å; Y32-M80 HydrophobicContact CE2-CB 4.15Å; F53-M80 HydrophobicContact CZ-CG 4.26Å; F53-M80 HydrophobicContact CZ-SD 3.78Å; M80-L118 HydrophobicContact CB-CD2 4.15Å; M80-L118 HydrophobicContact CE-CB 4.32Å; M80-L118 HydrophobicContact CE-CD2 3.65Å; M80-L118 HydrophobicContact CE-CG 4.43Å; M80-L118 HydrophobicContact SD-CB 4.25Å; M80-L118 HydrophobicContact SD-CD1 3.91Å; M80-L118 HydrophobicContact SD-CD2 3.74Å; M80-L118 HydrophobicContact SD-CG 4.16Å; M80-L121 HydrophobicContact CE-CB 3.84Å; M80-L121 HydrophobicContact CE-CD2 3.99Å; M80-I122 HydrophobicContact CE-CG2 3.59Å; M80-I122 HydrophobicContact SD-CG2 3.81Å; M80-G137 CarbonylContact O-C 3.58Å; M80-G137 WeakPolarHBondContact O-CA 3.13Å; M80-A138 PolarHBondContact N-O 3.43Å; M80-A138 PolarHBondContact O-N 3.38Å
81F98.9Very high96.9Very high0 Ų048 Ų480%024%0.238CC..EExtended strand (participates in β ladder)trans-130.7152.3-175-81.8-112.6000110.4W30 S31 Y79 S83 I85 P87 C136 V139 W152W30-F81 CarbonylContact C-O 3.49Å; W30-F81 WeakPolarHBondContact CA-O 3.4Å; S31-F81 PolarHBondContact N-O 2.97Å; S31-F81 PolarHBondContact O-N 3.04Å; Y79-F81 HydrophobicContact CD1-CD2 4.42Å; Y79-F81 AromaticContact CD1-CE2 3.66Å; Y79-F81 HydrophobicContact CD1-CE2 3.66Å; Y79-F81 HydrophobicContact CD1-CZ 4.31Å; Y79-F81 HydrophobicContact CG-CE2 4.35Å; F81-S83 PolarHBondContact O-N 3.35Å; F81-I85 HydrophobicContact CD1-CB 4.49Å; F81-I85 HydrophobicContact CD1-CG2 3.94Å; F81-P87 HydrophobicContact CB-CB 4.46Å; F81-P87 HydrophobicContact CD1-CB 4.14Å; F81-P87 HydrophobicContact CD2-CB 3.44Å; F81-P87 VanDerWaalsContact CD2-CB 3.44Å; F81-P87 HydrophobicContact CE1-CB 4.26Å; F81-P87 HydrophobicContact CE2-CB 3.64Å; F81-P87 HydrophobicContact CG-CB 3.74Å; F81-P87 HydrophobicContact CZ-CB 4.03Å; F81-C136 WeakPolarHBondContact CA-O 3.36Å; F81-C136 HydrophobicContact CD1-CB 4.21Å; F81-C136 WeakPolarHBondContact CD1-O 3.26Å; F81-C136 HydrophobicContact CE1-CB 4.15Å; F81-V139 HydrophobicContact CE2-CG2 3.91Å; F81-V139 HydrophobicContact CZ-CG2 4.12Å; F81-W152 HydrophobicContact CE1-CB 4.08Å; F81-W152 HydrophobicContact CE1-CD2 4.07Å; F81-W152 AromaticContact CE1-CE3 3.85Å; F81-W152 HydrophobicContact CE1-CE3 3.85Å; F81-W152 HydrophobicContact CE1-CG 4.19Å; F81-W152 HydrophobicContact CZ-CB 4.12Å; F81-W152 AromaticContact CZ-CD2 3.73Å; F81-W152 HydrophobicContact CZ-CD2 3.73Å; F81-W152 AromaticContact CZ-CE3 3.91Å; F81-W152 HydrophobicContact CZ-CE3 3.91Å; F81-W152 AromaticContact CZ-CG 3.83Å; F81-W152 HydrophobicContact CZ-CG 3.83Å
82K98.9Very high97Very high16 Ų1646.4 Ų46.47%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-53.2136.5167.9-63-169.6-178.6-159.60108D28 W30 D84 I85 D132 I135 C136D28-K82 HydrophobicContact CB-CD 4.22Å; D28-K82 HydrophobicContact CB-CG 4.27Å; D28-K82 IonicContact OD1-NZ 3.2Å; D28-K82 WeakPolarHBondContact OD2-CE 3.38Å; D28-K82 IonicContact OD2-NZ 3.6Å; D28-K82 PolarHBondContact OD2-NZ 2.9Å; W30-K82 HydrophobicContact CD2-CG 4.43Å; W30-K82 HydrophobicContact CE3-CG 4.1Å; W30-K82 HydrophobicContact CH2-CD 4.46Å; W30-K82 HydrophobicContact CH2-CG 3.67Å; W30-K82 HydrophobicContact CZ2-CG 4.03Å; W30-K82 HydrophobicContact CZ3-CG 3.7Å; K82-D84 PolarHBondContact O-N 2.93Å; K82-D84 VanDerWaalsContact O-N 3.08Å; K82-I85 HydrophobicContact CB-CD1 4.01Å; K82-I85 HydrophobicContact CB-CG1 4.28Å; K82-I85 WeakPolarHBondContact O-CB 3.42Å; K82-I85 PolarHBondContact O-N 3.09Å; K82-D132 PolarHBondContact NZ-O 2.85Å; K82-D132 VanDerWaalsContact NZ-O 3.17Å; K82-D132 IonicContact NZ-OD1 2.74Å; K82-D132 IonicContact NZ-OD2 3.08Å; K82-D132 PolarHBondContact NZ-OD2 3.09Å; K82-I135 WeakPolarHBondContact CD-O 3.47Å; K82-I135 WeakPolarHBondContact CE-O 3.49Å; K82-C136 PolarHBondContact N-O 2.72Å
83S98.6Very high97.2Very high42 Ų4250.6 Ų50.629%0.29426%0.256SS..THydrogen-bonded Turntrans-66-19.3-158590000115.4S29 F81S29-S83 VanDerWaalsContact CB-OG 3.31Å; S29-S83 WeakPolarHBondContact CB-OG 3.27Å; S29-S83 VanDerWaalsContact O-CB 3.27Å; S29-S83 WeakPolarHBondContact O-CB 3.16Å; S29-S83 PolarHBondContact O-N 2.72Å; S29-S83 PolarHBondContact O-OG 3.09Å; S29-S83 VanDerWaalsContact O-OG 3.09Å; S29-S83 WeakPolarHBondContact OG-CB 3.49Å; S29-S83 PolarHBondContact OG-OG 3.37Å; F81-S83 PolarHBondContact O-N 3.35Å
84D98.4Very high97.4Very high119 Ų11946.7 Ų46.764%0.63623%0.232SC*.THydrogen-bonded Turntrans-87.9-6174.763.6-32.8000113.6K82K82-D84 PolarHBondContact O-N 2.93Å; K82-D84 VanDerWaalsContact O-N 3.08Å
85I98.8Very high97.6Very high7 Ų744 Ų444%0.03623%0.225CC..SBendtrans-105.6118.9179.7-53.1179.7000109.5F81 K82 D91 K93 C136F81-I85 HydrophobicContact CD1-CB 4.49Å; F81-I85 HydrophobicContact CD1-CG2 3.94Å; K82-I85 HydrophobicContact CB-CD1 4.01Å; K82-I85 HydrophobicContact CB-CG1 4.28Å; K82-I85 WeakPolarHBondContact O-CB 3.42Å; K82-I85 PolarHBondContact O-N 3.09Å; I85-D91 HydrophobicContact CG2-CB 4.45Å; I85-K93 HydrophobicContact CD1-CB 3.88Å; I85-K93 HydrophobicContact CD1-CG 4.11Å; I85-K93 HydrophobicContact CG1-CB 3.96Å; I85-K93 HydrophobicContact CG1-CG 4Å; I85-K93 HydrophobicContact CG2-CB 4.05Å; I85-C136 HydrophobicContact CD1-CB 4.03Å; I85-C136 HydrophobicContact CG2-CB 4.38Å
86M98.3Very high98.2Very high82 Ų8247.7 Ų47.740%0.40424%0.238SC..  trans-70.2135.1170.9-69.3-69.4-67.700109.8K88 D91 N94M86-K88 HydrophobicContact CB-CG 4.04Å; M86-K88 PolarHBondContact O-N 3.26Å; M86-D91 HydrophobicContact CB-CB 4.18Å; M86-D91 WeakPolarHBondContact CB-OD2 3.47Å; M86-D91 PolarHBondContact N-OD2 2.72Å; M86-D91 WeakPolarHBondContact O-CB 3.39Å; M86-N94 PolarHBondContact O-ND2 3.12Å
87P98.4Very high98.4Very high0 Ų043.9 Ų43.90%022%0.221CC..SBendtrans-79.257.4-177.336.1-40.9000111.5Y33 W43 L47 Y79 F81Y33-P87 HydrophobicContact CD1-CG 4.05Å; Y33-P87 HydrophobicContact CD2-CG 3.9Å; Y33-P87 HydrophobicContact CE1-CG 4.05Å; Y33-P87 HydrophobicContact CE2-CG 3.93Å; Y33-P87 HydrophobicContact CG-CG 4Å; W43-P87 WeakPolarHBondContact CH2-O 3.44Å; L47-P87 HydrophobicContact CD1-CG 4.27Å; L47-P87 HydrophobicContact CD2-CG 3.31Å; L47-P87 HydrophobicContact CG-CG 4.33Å; Y79-P87 HydrophobicContact CD1-CB 3.72Å; Y79-P87 HydrophobicContact CG-CB 4.12Å; F81-P87 HydrophobicContact CB-CB 4.46Å; F81-P87 HydrophobicContact CD1-CB 4.14Å; F81-P87 HydrophobicContact CD2-CB 3.44Å; F81-P87 VanDerWaalsContact CD2-CB 3.44Å; F81-P87 HydrophobicContact CE1-CB 4.26Å; F81-P87 HydrophobicContact CE2-CB 3.64Å; F81-P87 HydrophobicContact CG-CB 3.74Å; F81-P87 HydrophobicContact CZ-CB 4.03Å
88K97.9Very high98.4Very high53 Ų5343.8 Ų43.823%0.2322%0.221CC..SBendtrans-145.5154.3178.366.7-179.4178.9177.20110.3W43 M86 E90 D91 N94W43-K88 HydrophobicContact CH2-CB 4.45Å; W43-K88 HydrophobicContact CZ3-CB 3.89Å; M86-K88 HydrophobicContact CB-CG 4.04Å; M86-K88 PolarHBondContact O-N 3.26Å; K88-E90 HydrophobicContact CD-CB 4.26Å; K88-E90 HydrophobicContact CG-CB 4.3Å; K88-E90 PolarHBondContact O-N 3.02Å; K88-D91 PolarHBondContact O-N 3.44Å; K88-N94 WeakPolarHBondContact O-CB 3.26Å; K88-N94 PolarHBondContact O-ND2 3.4Å
89W97.5Very high98.4Very high68 Ų6844.5 Ų44.526%0.25822%0.223SC..THydrogen-bonded Turntrans-65.8-21.1-178.2-65-39.5000113.5D91 E95 W152 V184 Q187 R188W89-D91 PolarHBondContact O-N 3.17Å; W89-E95 VanDerWaalsContact O-CA 3.25Å; W89-E95 WeakPolarHBondContact O-CA 3.32Å; W89-E95 WeakPolarHBondContact O-CB 3.22Å; W89-E95 PolarHBondContact O-N 3.23Å; W89-W152 AromaticContact CD1-CH2 3.13Å; W89-W152 AromaticContact CD1-CZ2 3.95Å; W89-W152 AromaticContact CD1-CZ3 3.34Å; W89-W152 HydrophobicContact CG-CH2 4.01Å; W89-W152 HydrophobicContact CG-CZ3 4.26Å; W89-W152 AromaticContact NE1-CH2 3.24Å; W89-W152 AromaticContact NE1-CZ2 3.6Å; W89-W152 AromaticContact NE1-CZ3 3.89Å; W89-V184 HydrophobicContact CB-CG1 3.84Å; W89-V184 HydrophobicContact CD2-CG1 4.35Å; W89-V184 HydrophobicContact CG-CG1 3.78Å; W89-V184 HydrophobicContact CG-CG2 4.42Å; W89-Q187 HydrophobicContact CH2-CB 4.17Å; W89-Q187 HydrophobicContact CZ2-CB 3.5Å; W89-Q187 VanDerWaalsContact CZ2-CB 3.5Å; W89-Q187 VanDerWaalsContact NE1-OE1 3.09Å; W89-R188 HydrophobicContact CD2-CG 4.04Å; W89-R188 HydrophobicContact CE3-CG 3.43Å; W89-R188 VanDerWaalsContact CE3-CG 3.43Å; W89-R188 HydrophobicContact CH2-CG 4.31Å; W89-R188 HydrophobicContact CZ3-CB 4.29Å; W89-R188 HydrophobicContact CZ3-CG 3.56Å; W89-R188 PolarHBondContact O-NH2 2.9Å
90E97Very high98.4Very high97 Ų9744.1 Ų44.145%0.45322%0.222SC..THydrogen-bonded Turntrans-77.9-7.2179.4-64.866.4-142.900113.2K88 R188K88-E90 HydrophobicContact CD-CB 4.26Å; K88-E90 HydrophobicContact CG-CB 4.3Å; K88-E90 PolarHBondContact O-N 3.02Å; E90-R188 IonicContact OE1-CZ 3.62Å; E90-R188 VanDerWaalsContact OE1-CZ 3.27Å; E90-R188 IonicContact OE1-NH1 2.72Å; E90-R188 PolarHBondContact OE1-NH1 3.47Å; E90-R188 IonicContact OE1-NH2 3.87Å; E90-R188 PolarHBondContact OE1-NH2 3.46Å
91D98.4Very high98.4Very high16 Ų1644.1 Ų44.19%0.08622%0.222CC..SBendtrans-69.3135.4173.8-166.6-76.7000110.4I85 M86 K88 W89 K93 N94 E95I85-D91 HydrophobicContact CG2-CB 4.45Å; M86-D91 HydrophobicContact CB-CB 4.18Å; M86-D91 WeakPolarHBondContact CB-OD2 3.47Å; M86-D91 PolarHBondContact N-OD2 2.72Å; M86-D91 WeakPolarHBondContact O-CB 3.39Å; K88-D91 PolarHBondContact O-N 3.44Å; W89-D91 PolarHBondContact O-N 3.17Å; D91-K93 PolarHBondContact O-N 3.45Å; D91-K93 VanDerWaalsContact O-N 3.07Å; D91-K93 WeakPolarHBondContact OD1-CB 3.39Å; D91-K93 PolarHBondContact OD1-N 3.44Å; D91-N94 HydrophobicContact CB-CB 4.28Å; D91-N94 PolarHBondContact O-N 3.26Å; D91-E95 PolarHBondContact O-N 3.15Å
92P98.5Very high98.4Very high95 Ų9544.3 Ų44.362%0.61722%0.223SC*.THydrogen-bonded Turntrans-54.8-28.3179.1-27.435.4000114.4N94P92-N94 VanDerWaalsContact C-N 3.32Å
93K98.6Very high98.3Very high104 Ų10446 Ų4645%0.45223%0.233SC..THydrogen-bonded Turntrans-78.5-15.3176.3-70.1-69.4-166.5167.60113.4I85 D91 C136 T154I85-K93 HydrophobicContact CD1-CB 3.88Å; I85-K93 HydrophobicContact CD1-CG 4.11Å; I85-K93 HydrophobicContact CG1-CB 3.96Å; I85-K93 HydrophobicContact CG1-CG 4Å; I85-K93 HydrophobicContact CG2-CB 4.05Å; D91-K93 PolarHBondContact O-N 3.45Å; D91-K93 VanDerWaalsContact O-N 3.07Å; D91-K93 WeakPolarHBondContact OD1-CB 3.39Å; D91-K93 PolarHBondContact OD1-N 3.44Å; K93-C136 PolarHBondContact O-SG 3.41Å; K93-C136 VanDerWaalsContact O-SG 3.38Å; K93-T154 WeakPolarHBondContact O-CA 3.44Å; K93-T154 WeakPolarHBondContact O-CB 3.4Å; K93-T154 PolarHBondContact O-OG1 2.87Å
94N98.8Very high98.1Very high2 Ų245 Ų451%0.01123%0.225CC..THydrogen-bonded Turntrans-108.2-29.2-178.5-64.3-33.9000113M86 K88 D91 P92 N96 G97 C136 W152 V184M86-N94 PolarHBondContact O-ND2 3.12Å; K88-N94 WeakPolarHBondContact O-CB 3.26Å; K88-N94 PolarHBondContact O-ND2 3.4Å; D91-N94 HydrophobicContact CB-CB 4.28Å; D91-N94 PolarHBondContact O-N 3.26Å; P92-N94 VanDerWaalsContact C-N 3.32Å; N94-N96 VanDerWaalsContact C-N 3.26Å; N94-N96 PolarHBondContact O-N 2.85Å; N94-N96 VanDerWaalsContact O-N 3.15Å; N94-G97 WeakPolarHBondContact O-CA 3.4Å; N94-G97 PolarHBondContact O-N 3.32Å; N94-C136 VanDerWaalsContact OD1-CB 3.29Å; N94-C136 WeakPolarHBondContact OD1-CB 3.4Å; N94-C136 PolarHBondContact OD1-SG 3.31Å; N94-W152 HydrophobicContact CB-CE3 4.13Å; N94-W152 HydrophobicContact CB-CZ3 4.19Å; N94-V184 VanDerWaalsContact O-CG2 3.29Å; N94-V184 WeakPolarHBondContact O-CG2 3.28Å
95E98.4Very high98Very high100 Ų10040.8 Ų40.847%0.46720%0.204SC..THydrogen-bonded Turntrans-60.5-31.2-165.570.3179.317600114.7W89 D91W89-E95 VanDerWaalsContact O-CA 3.25Å; W89-E95 WeakPolarHBondContact O-CA 3.32Å; W89-E95 WeakPolarHBondContact O-CB 3.22Å; W89-E95 PolarHBondContact O-N 3.23Å; D91-E95 PolarHBondContact O-N 3.15Å
96N98.4Very high97.7Very high108 Ų10846 Ų4658%0.57825%0.248SC*.THydrogen-bonded Turntrans-102.612.9177-57.4-65.7000112.7N94 S155 D156N94-N96 VanDerWaalsContact C-N 3.26Å; N94-N96 PolarHBondContact O-N 2.85Å; N94-N96 VanDerWaalsContact O-N 3.15Å; N96-S155 CarbonylContact O-C 3.6Å; N96-D156 PolarHBondContact O-N 3.24Å
97G98.7Very high97.5Very high0 Ų049.7 Ų49.70%026%0.257CS..  trans-96-162.7-173.300000114N94 L153 T154 V184N94-G97 WeakPolarHBondContact O-CA 3.4Å; N94-G97 PolarHBondContact O-N 3.32Å; G97-L153 WeakPolarHBondContact CA-O 3.21Å; G97-T154 WeakPolarHBondContact CA-O 3.39Å; G97-V184 PolarHBondContact O-N 3.07Å
98G98.6Very high97.4Very high1 Ų151.9 Ų51.91%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-155.7-173.4172.600000111.4W152 L153 Q182G98-W152 CarbonylContact O-C 3.38Å; G98-W152 WeakPolarHBondContact O-CA 3.43Å; G98-L153 PolarHBondContact N-O 2.91Å; G98-L153 VanDerWaalsContact N-O 3.11Å; G98-L153 PolarHBondContact O-N 3.39Å; G98-Q182 CarbonylContact C-O 3.56Å; G98-Q182 WeakPolarHBondContact CA-O 3.2Å
99R98.8Very high97.3Very high17 Ų1753.3 Ų53.36%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-133.1141.7172.574.4-176.5173.7-169.8-6.2111.5V151 W152 F181 Q182 Q187R99-V151 CarbonylContact C-O 3.59Å; R99-V151 WeakPolarHBondContact CA-O 3.45Å; R99-V151 WeakPolarHBondContact CB-O 3.3Å; R99-W152 HydrophobicContact CB-CG 4.31Å; R99-F181 CarbonylContact O-C 3.46Å; R99-F181 VanDerWaalsContact O-CA 3.26Å; R99-F181 WeakPolarHBondContact O-CA 3.32Å; R99-Q182 HydrophobicContact CG-CB 4.38Å; R99-Q182 PolarHBondContact N-O 3.19Å; R99-Q182 PolarHBondContact O-N 3.41Å; R99-Q187 VanDerWaalsContact CD-CD 3.5Å; R99-Q187 VanDerWaalsContact CD-OE1 3.26Å
100W98.8Very high97.4Very high0 Ų051.1 Ų51.10%027%0.272CS..EExtended strand (participates in β ladder)trans-73.5121.3153.4-80.1114.6000108.6S150 V151 I162 L163 I169 I179 F181 I203W100-S150 CarbonylContact O-C 3.47Å; W100-S150 WeakPolarHBondContact O-CA 3.47Å; W100-V151 PolarHBondContact N-O 3.16Å; W100-V151 PolarHBondContact O-N 3.01Å; W100-I162 HydrophobicContact CZ2-CG2 3.86Å; W100-I162 WeakPolarHBondContact CZ2-O 3.49Å; W100-I162 PolarHBondContact NE1-O 2.86Å; W100-L163 HydrophobicContact CH2-CD2 4.33Å; W100-L163 HydrophobicContact CZ2-CD2 4.38Å; W100-I169 HydrophobicContact CB-CD1 4.12Å; W100-I169 HydrophobicContact CG-CD1 4.19Å; W100-I179 HydrophobicContact CD2-CD1 3.86Å; W100-I179 HydrophobicContact CD2-CG1 4.38Å; W100-I179 HydrophobicContact CE3-CB 4.15Å; W100-I179 HydrophobicContact CE3-CD1 3.54Å; W100-I179 HydrophobicContact CE3-CG1 3.56Å; W100-I179 HydrophobicContact CG-CD1 4.31Å; W100-I179 HydrophobicContact CZ3-CD1 4.03Å; W100-I179 HydrophobicContact CZ3-CG1 3.71Å; W100-I179 WeakPolarHBondContact CZ3-O 3.43Å; W100-F181 HydrophobicContact CD2-CB 3.99Å; W100-F181 HydrophobicContact CD2-CD2 4Å; W100-F181 HydrophobicContact CD2-CG 4.49Å; W100-F181 AromaticContact CE2-CD2 3.96Å; W100-F181 HydrophobicContact CE3-CB 3.78Å; W100-F181 HydrophobicContact CG-CD2 4.08Å; W100-F181 HydrophobicContact CH2-CB 3.81Å; W100-F181 HydrophobicContact CZ2-CB 4Å; W100-F181 HydrophobicContact CZ3-CB 3.68Å; W100-F181 VanDerWaalsContact CZ3-N 3.31Å; W100-F181 AromaticContact NE1-CD2 3.99Å; W100-I203 HydrophobicContact CH2-CD1 3.91Å; W100-I203 HydrophobicContact CH2-CG1 3.77Å; W100-I203 HydrophobicContact CZ2-CD1 4.12Å; W100-I203 HydrophobicContact CZ2-CG1 4.47Å; W100-I203 HydrophobicContact CZ3-CD1 4.44Å; W100-I203 HydrophobicContact CZ3-CG1 3.99Å
101L98.4Very high97.4Very high0 Ų046.6 Ų46.60%025%0.251CS..EExtended strand (participates in β ladder)trans-102.9127.3177174.668.5000110.2K148 I179 Y180 I196L101-K148 HydrophobicContact CD1-CB 3.97Å; L101-K148 HydrophobicContact CD1-CD 4.02Å; L101-K148 HydrophobicContact CD1-CG 4.13Å; L101-I179 WeakPolarHBondContact O-CA 3.39Å; L101-Y180 WeakPolarHBondContact CB-O 3.15Å; L101-Y180 PolarHBondContact N-O 3.41Å; L101-Y180 PolarHBondContact O-N 2.87Å; L101-Y180 VanDerWaalsContact O-N 3.09Å; L101-I196 HydrophobicContact CD2-CB 3.75Å; L101-I196 HydrophobicContact CD2-CD1 3.64Å; L101-I196 HydrophobicContact CD2-CG1 4.29Å; L101-I196 HydrophobicContact CD2-CG2 3.45Å; L101-I196 VanDerWaalsContact CD2-CG2 3.45Å
102I98Very high97.4Very high3 Ų349.5 Ų49.52%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-112120.8174.6-56.2155.7000108K148 L149 I169 L173 L175 I179I102-K148 VanDerWaalsContact O-CA 3.3Å; I102-K148 WeakPolarHBondContact O-CA 3.48Å; I102-L149 HydrophobicContact CB-CB 4.1Å; I102-L149 HydrophobicContact CD1-CB 3.89Å; I102-L149 PolarHBondContact N-O 2.92Å; I102-L149 PolarHBondContact O-N 2.97Å; I102-I169 HydrophobicContact CD1-CG2 3.82Å; I102-L173 HydrophobicContact CD1-CD2 3.66Å; I102-L175 HydrophobicContact CB-CD1 4.48Å; I102-L175 HydrophobicContact CD1-CD1 3.95Å; I102-L175 HydrophobicContact CG1-CD1 3.82Å; I102-L175 HydrophobicContact CG2-CD1 3.83Å; I102-L175 HydrophobicContact CG2-CD2 4.05Å; I102-I179 HydrophobicContact CB-CG2 4.46Å; I102-I179 HydrophobicContact CG1-CG2 3.84Å
103N96.5Very high97.4Very high52 Ų5245.1 Ų45.128%0.27823%0.234SC..EExtended strand (participates in β ladder)trans-88.4116.8170.8-68.5-44.2000108.8I196N103-I196 PolarHBondContact ND2-O 3.12Å; N103-I196 VanDerWaalsContact ND2-O 3.17Å
104V96.1Very high97.5Very high20 Ų2040.1 Ų40.112%0.12121%0.212CC..PPolyproline II helixtrans-78.1128.2-177-176.80000110.4Q108 V110 L113 S147 L149V104-Q108 HydrophobicContact CG1-CB 4.1Å; V104-V110 HydrophobicContact CG1-CG1 3.88Å; V104-L113 HydrophobicContact CG1-CD1 4.05Å; V104-L113 HydrophobicContact CG2-CD1 4.15Å; V104-S147 WeakPolarHBondContact CB-O 3.35Å; V104-S147 WeakPolarHBondContact CG2-O 3.29Å; V104-S147 PolarHBondContact N-O 3.31Å; V104-L149 HydrophobicContact CG2-CD1 3.25Å
105T95Very high97.5Very high32 Ų3241.3 Ų41.320%0.19622%0.218CC..PPolyproline II helixtrans-86.3156.9175.968.90000111.5R107 Q108 D177T105-R107 PolarHBondContact O-N 3.3Å; T105-R107 VanDerWaalsContact O-N 3.08Å; T105-R107 WeakPolarHBondContact OG1-CG 3.49Å; T105-Q108 PolarHBondContact O-N 3.31Å; T105-Q108 VanDerWaalsContact O-N 3.16Å; T105-Q108 VanDerWaalsContact OG1-CD 3.32Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.19Å; T105-Q108 PolarHBondContact OG1-OE1 3.37Å; T105-D177 WeakPolarHBondContact CG2-OD2 3.47Å
106A92.1Very high97.5Very high117 Ų11739.1 Ų39.197%0.96721%0.208SC*.THydrogen-bonded Turntrans-63.3-16.9-177.900000114.7
107R94Very high97.5Very high158 Ų15834 Ų3460%0.59618%0.181SC*.THydrogen-bonded Turntrans-86.5-15.9179.258.5170.9171.4173.3-4113.7T105 E176 D177T105-R107 PolarHBondContact O-N 3.3Å; T105-R107 VanDerWaalsContact O-N 3.08Å; T105-R107 WeakPolarHBondContact OG1-CG 3.49Å; R107-E176 IonicContact CZ-OE1 3.51Å; R107-E176 IonicContact CZ-OE2 2.69Å; R107-E176 VanDerWaalsContact NH1-CD 3.35Å; R107-E176 IonicContact NH1-OE1 2.93Å; R107-E176 PolarHBondContact NH1-OE1 3.36Å; R107-E176 IonicContact NH1-OE2 3.6Å; R107-E176 PolarHBondContact NH1-OE2 3.07Å; R107-E176 IonicContact NH2-OE2 3.14Å; R107-E176 PolarHBondContact NH2-OE2 2.88Å; R107-D177 IonicContact NH2-OD1 2.82Å
108Q96.5Very high97.5Very high47 Ų4734 Ų3422%0.2218%0.181CC..SBendtrans-86.4141.2-173.9-73.7167.5-58.800111.5V104 T105 L113V104-Q108 HydrophobicContact CG1-CB 4.1Å; T105-Q108 PolarHBondContact O-N 3.31Å; T105-Q108 VanDerWaalsContact O-N 3.16Å; T105-Q108 VanDerWaalsContact OG1-CD 3.32Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.19Å; T105-Q108 PolarHBondContact OG1-OE1 3.37Å; Q108-L113 HydrophobicContact CB-CD1 3.83Å; Q108-L113 HydrophobicContact CB-CG 4.46Å; Q108-L113 HydrophobicContact CG-CD1 4.35Å
109D97.5Very high97.5Very high82 Ų8236.7 Ų36.744%0.43919%0.194SC..  trans-82.9113.9170.1-175.3-0.3000109.9D111 F112 L113D109-D111 PolarHBondContact O-N 3.48Å; D109-D111 WeakPolarHBondContact OD1-CB 3.45Å; D109-D111 PolarHBondContact OD1-N 2.95Å; D109-F112 HydrophobicContact CB-CB 4.02Å; D109-F112 PolarHBondContact O-N 2.89Å; D109-L113 WeakPolarHBondContact O-CG 3.49Å; D109-L113 PolarHBondContact O-N 3.14Å
110V98Very high97.5Very high22 Ų2236.1 Ų36.113%0.13319%0.192CC..Hα-helixtrans-66.9-25.5179.7-700000113.2P69 R70 V104 W114 F140P69-V110 HydrophobicContact CB-CB 4.12Å; P69-V110 HydrophobicContact CB-CG2 3.98Å; R70-V110 HydrophobicContact CB-CG2 3.86Å; V104-V110 HydrophobicContact CG1-CG1 3.88Å; V110-W114 VanDerWaalsContact O-CB 3.31Å; V110-W114 WeakPolarHBondContact O-CB 3.13Å; V110-W114 PolarHBondContact O-N 2.93Å; V110-W114 VanDerWaalsContact O-N 3.07Å; V110-F140 HydrophobicContact CB-CE2 4Å; V110-F140 HydrophobicContact CB-CZ 3.98Å; V110-F140 HydrophobicContact CG1-CE2 3.89Å; V110-F140 HydrophobicContact CG1-CZ 4.08Å; V110-F140 HydrophobicContact CG2-CZ 4.34Å
111D98.3Very high97.5Very high3 Ų336.1 Ų36.12%0.01619%0.192CC..Hα-helixtrans-68.6-47.1174.9-88.629.3000109.9R68 P69 R70 D109 W114 D115R68-D111 IonicContact CZ-OD2 2.68Å; R68-D111 IonicContact NE-OD2 2.81Å; R68-D111 PolarHBondContact NE-OD2 3.07Å; R68-D111 IonicContact NH2-OD2 2.83Å; R68-D111 PolarHBondContact NH2-OD2 2.65Å; R68-D111 VanDerWaalsContact NH2-OD2 3.08Å; P69-D111 VanDerWaalsContact CD-OD1 3.29Å; P69-D111 WeakPolarHBondContact CD-OD1 3.42Å; R70-D111 WeakPolarHBondContact CB-OD1 3.4Å; R70-D111 WeakPolarHBondContact CG-OD1 3.04Å; R70-D111 IonicContact CZ-OD2 2.85Å; R70-D111 PolarHBondContact N-OD1 3.44Å; R70-D111 IonicContact NE-OD1 2.79Å; R70-D111 IonicContact NE-OD2 3.27Å; R70-D111 PolarHBondContact NE-OD2 2.98Å; R70-D111 IonicContact NH2-OD2 2.64Å; R70-D111 PolarHBondContact NH2-OD2 3.43Å; D109-D111 PolarHBondContact O-N 3.48Å; D109-D111 WeakPolarHBondContact OD1-CB 3.45Å; D109-D111 PolarHBondContact OD1-N 2.95Å; D111-W114 PolarHBondContact O-N 3.08Å; D111-D115 WeakPolarHBondContact O-CB 3.19Å; D111-D115 VanDerWaalsContact O-CG 3.26Å; D111-D115 PolarHBondContact O-N 3.18Å
112F98.5Very high97.5Very high77 Ų7736.7 Ų36.734%0.33820%0.195SC..Hα-helixtrans-58.7-51.6174.3171.7-98.5000111.6D109 W114 D115 E116D109-F112 HydrophobicContact CB-CB 4.02Å; D109-F112 PolarHBondContact O-N 2.89Å; F112-W114 VanDerWaalsContact C-N 3.28Å; F112-W114 PolarHBondContact O-N 3.46Å; F112-D115 PolarHBondContact O-N 2.97Å; F112-E116 HydrophobicContact CD1-CG 4.41Å; F112-E116 HydrophobicContact CD2-CG 3.89Å; F112-E116 HydrophobicContact CE1-CG 4.05Å; F112-E116 HydrophobicContact CE2-CG 3.47Å; F112-E116 VanDerWaalsContact CE2-CG 3.47Å; F112-E116 HydrophobicContact CG-CG 4.34Å; F112-E116 HydrophobicContact CZ-CG 3.58Å; F112-E116 WeakPolarHBondContact O-CB 3.48Å; F112-E116 WeakPolarHBondContact O-CG 3.14Å; F112-E116 PolarHBondContact O-N 2.69Å
113L98.7Very high97.6Very high2 Ų238.9 Ų38.91%0.0122%0.219CC..Hα-helixtrans-59.4-40.3-178.2-69.4-179.4000112.4V104 Q108 D109 L117 L149 L173 L175V104-L113 HydrophobicContact CG1-CD1 4.05Å; V104-L113 HydrophobicContact CG2-CD1 4.15Å; Q108-L113 HydrophobicContact CB-CD1 3.83Å; Q108-L113 HydrophobicContact CB-CG 4.46Å; Q108-L113 HydrophobicContact CG-CD1 4.35Å; D109-L113 WeakPolarHBondContact O-CG 3.49Å; D109-L113 PolarHBondContact O-N 3.14Å; L113-L117 WeakPolarHBondContact O-CB 3.15Å; L113-L117 PolarHBondContact O-N 3.06Å; L113-L117 VanDerWaalsContact O-N 3.12Å; L113-L149 HydrophobicContact CB-CD1 4.45Å; L113-L149 HydrophobicContact CB-CD2 3.83Å; L113-L149 HydrophobicContact CD1-CD1 4.33Å; L113-L173 HydrophobicContact CD2-CB 3.88Å; L113-L173 HydrophobicContact CD2-CD2 4.19Å; L113-L173 HydrophobicContact CD2-CG 3.98Å; L113-L173 WeakPolarHBondContact CD2-O 3.44Å; L113-L175 HydrophobicContact CD2-CD2 4.09Å
114W98.7Very high97.7Very high0 Ų038 Ų380%022%0.217CC..Hα-helixtrans-71.4-47.9179.1-169.6-119.3000111.2Y32 P69 L78 V110 D111 F112 E116 L117 L118 A138 V139 F140 L149Y32-W114 HydrophobicContact CE2-CZ2 4.14Å; Y32-W114 PolarHBondContact OH-NE1 3.37Å; Y32-W114 VanDerWaalsContact OH-NE1 3.09Å; P69-W114 HydrophobicContact CB-CB 4.37Å; P69-W114 HydrophobicContact CG-CB 3.55Å; P69-W114 VanDerWaalsContact CG-CD1 3.48Å; P69-W114 HydrophobicContact CG-CG 3.66Å; L78-W114 HydrophobicContact CB-CH2 4.38Å; L78-W114 HydrophobicContact CB-CZ2 3.75Å; L78-W114 HydrophobicContact CD1-CZ2 4.33Å; V110-W114 VanDerWaalsContact O-CB 3.31Å; V110-W114 WeakPolarHBondContact O-CB 3.13Å; V110-W114 PolarHBondContact O-N 2.93Å; V110-W114 VanDerWaalsContact O-N 3.07Å; D111-W114 PolarHBondContact O-N 3.08Å; F112-W114 VanDerWaalsContact C-N 3.28Å; F112-W114 PolarHBondContact O-N 3.46Å; W114-E116 PolarHBondContact O-N 3.17Å; W114-L117 HydrophobicContact CE3-CD2 4.33Å; W114-L117 HydrophobicContact CZ3-CD2 4.24Å; W114-L117 PolarHBondContact O-N 2.8Å; W114-L118 HydrophobicContact CD2-CD1 4.28Å; W114-L118 HydrophobicContact CD2-CD2 4.16Å; W114-L118 HydrophobicContact CD2-CG 4.09Å; W114-L118 HydrophobicContact CE3-CD2 4.22Å; W114-L118 HydrophobicContact CG-CD1 4.47Å; W114-L118 HydrophobicContact CG-CG 4.41Å; W114-L118 HydrophobicContact CH2-CD2 3.85Å; W114-L118 HydrophobicContact CZ2-CD1 4.03Å; W114-L118 HydrophobicContact CZ2-CD2 3.77Å; W114-L118 HydrophobicContact CZ2-CG 4.26Å; W114-L118 HydrophobicContact CZ3-CD2 4.06Å; W114-L118 VanDerWaalsContact O-CG 3.27Å; W114-L118 WeakPolarHBondContact O-CG 3.38Å; W114-L118 PolarHBondContact O-N 2.82Å; W114-A138 HydrophobicContact CH2-CB 4.01Å; W114-A138 HydrophobicContact CZ3-CB 3.92Å; W114-V139 VanDerWaalsContact CZ3-C 3.43Å; W114-F140 HydrophobicContact CD2-CB 3.96Å; W114-F140 HydrophobicContact CE3-CB 3.63Å; W114-F140 HydrophobicContact CH2-CB 3.97Å; W114-F140 HydrophobicContact CZ2-CB 4.28Å; W114-F140 HydrophobicContact CZ3-CB 3.65Å; W114-L149 HydrophobicContact CE3-CD2 4.08Å; W114-L149 HydrophobicContact CE3-CG 4.41Å
115D98.7Very high97.8Very high26 Ų2640.8 Ų40.814%0.13923%0.231CC..Hα-helixtrans-60.2-47.8-179.8-70.5-10.5000111.2R68 D111 F112 L117 L118 M119R68-D115 IonicContact CZ-OD1 3.85Å; R68-D115 IonicContact CZ-OD2 2.9Å; R68-D115 IonicContact NH1-OD1 2.81Å; R68-D115 PolarHBondContact NH1-OD1 3.5Å; R68-D115 IonicContact NH1-OD2 2.97Å; R68-D115 PolarHBondContact NH1-OD2 3.5Å; R68-D115 VanDerWaalsContact NH1-OD2 3.14Å; R68-D115 IonicContact NH2-OD1 3.19Å; R68-D115 IonicContact NH2-OD2 3.74Å; R68-D115 PolarHBondContact NH2-OD2 3.17Å; D111-D115 WeakPolarHBondContact O-CB 3.19Å; D111-D115 VanDerWaalsContact O-CG 3.26Å; D111-D115 PolarHBondContact O-N 3.18Å; F112-D115 PolarHBondContact O-N 2.97Å; D115-L117 PolarHBondContact O-N 2.8Å; D115-L118 PolarHBondContact O-N 2.74Å; D115-M119 WeakPolarHBondContact O-CB 3.38Å; D115-M119 VanDerWaalsContact O-CG 3.29Å; D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 2.96Å
116E98.8Very high97.9Very high54 Ų5440.2 Ų40.225%0.25223%0.225SC..Hα-helixtrans-60.6-42.4176.1-73.5-60.8134.700112.2F112 W114 M119 L120 L173F112-E116 HydrophobicContact CD1-CG 4.41Å; F112-E116 HydrophobicContact CD2-CG 3.89Å; F112-E116 HydrophobicContact CE1-CG 4.05Å; F112-E116 HydrophobicContact CE2-CG 3.47Å; F112-E116 VanDerWaalsContact CE2-CG 3.47Å; F112-E116 HydrophobicContact CG-CG 4.34Å; F112-E116 HydrophobicContact CZ-CG 3.58Å; F112-E116 WeakPolarHBondContact O-CB 3.48Å; F112-E116 WeakPolarHBondContact O-CG 3.14Å; F112-E116 PolarHBondContact O-N 2.69Å; W114-E116 PolarHBondContact O-N 3.17Å; E116-M119 HydrophobicContact CG-CE 4.34Å; E116-M119 PolarHBondContact O-N 2.88Å; E116-M119 WeakPolarHBondContact OE1-CE 3.34Å; E116-L120 WeakPolarHBondContact O-CB 3.31Å; E116-L120 PolarHBondContact O-N 2.75Å; E116-L173 HydrophobicContact CB-CD1 4.12Å
117L98.9Very high98.2Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-63-45.7178.4-172.861.3000111.4L113 W114 D115 L120 L121 A138 L149 V151 L173L113-L117 WeakPolarHBondContact O-CB 3.15Å; L113-L117 PolarHBondContact O-N 3.06Å; L113-L117 VanDerWaalsContact O-N 3.12Å; W114-L117 HydrophobicContact CE3-CD2 4.33Å; W114-L117 HydrophobicContact CZ3-CD2 4.24Å; W114-L117 PolarHBondContact O-N 2.8Å; D115-L117 PolarHBondContact O-N 2.8Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-L121 HydrophobicContact CD1-CD1 4.01Å; L117-L121 HydrophobicContact CG-CD1 4.28Å; L117-L121 WeakPolarHBondContact O-CD1 3.24Å; L117-L121 PolarHBondContact O-N 3.23Å; L117-L121 VanDerWaalsContact O-N 3.15Å; L117-A138 HydrophobicContact CD2-CB 3.91Å; L117-A138 HydrophobicContact CG-CB 4.32Å; L117-L149 HydrophobicContact CB-CD2 4.5Å; L117-L149 HydrophobicContact CD2-CB 4.35Å; L117-L149 HydrophobicContact CD2-CD2 3.83Å; L117-V151 HydrophobicContact CD1-CG2 3.57Å; L117-V151 HydrophobicContact CD2-CG2 4.07Å; L117-V151 HydrophobicContact CG-CG2 4.24Å; L117-L173 HydrophobicContact CB-CD1 4.04Å; L117-L173 HydrophobicContact CB-CD2 4.3Å; L117-L173 HydrophobicContact CD1-CD1 4.02Å; L117-L173 HydrophobicContact CD1-CD2 4.25Å
118L98.9Very high98.5Very high0 Ų036.3 Ų36.30%020%0.202CC..Hα-helixtrans-68.9-37.9180-60.5-165.2000111.5Y32 F59 L63 M80 W114 D115 L121 I122 A138Y32-L118 HydrophobicContact CE2-CD1 4.09Å; F59-L118 HydrophobicContact CE2-CB 3.77Å; F59-L118 HydrophobicContact CE2-CD1 4.13Å; F59-L118 HydrophobicContact CZ-CB 3.86Å; L63-L118 HydrophobicContact CD1-CD1 4.41Å; L63-L118 HydrophobicContact CD2-CD1 3.83Å; M80-L118 HydrophobicContact CB-CD2 4.15Å; M80-L118 HydrophobicContact CE-CB 4.32Å; M80-L118 HydrophobicContact CE-CD2 3.65Å; M80-L118 HydrophobicContact CE-CG 4.43Å; M80-L118 HydrophobicContact SD-CB 4.25Å; M80-L118 HydrophobicContact SD-CD1 3.91Å; M80-L118 HydrophobicContact SD-CD2 3.74Å; M80-L118 HydrophobicContact SD-CG 4.16Å; W114-L118 HydrophobicContact CD2-CD1 4.28Å; W114-L118 HydrophobicContact CD2-CD2 4.16Å; W114-L118 HydrophobicContact CD2-CG 4.09Å; W114-L118 HydrophobicContact CE3-CD2 4.22Å; W114-L118 HydrophobicContact CG-CD1 4.47Å; W114-L118 HydrophobicContact CG-CG 4.41Å; W114-L118 HydrophobicContact CH2-CD2 3.85Å; W114-L118 HydrophobicContact CZ2-CD1 4.03Å; W114-L118 HydrophobicContact CZ2-CD2 3.77Å; W114-L118 HydrophobicContact CZ2-CG 4.26Å; W114-L118 HydrophobicContact CZ3-CD2 4.06Å; W114-L118 VanDerWaalsContact O-CG 3.27Å; W114-L118 WeakPolarHBondContact O-CG 3.38Å; W114-L118 PolarHBondContact O-N 2.82Å; D115-L118 PolarHBondContact O-N 2.74Å; L118-L121 PolarHBondContact O-N 2.83Å; L118-I122 WeakPolarHBondContact O-CG1 3.31Å; L118-I122 PolarHBondContact O-N 2.9Å; L118-A138 HydrophobicContact CD2-CB 3.99Å
119M98.8Very high98.5Very high59 Ų5940.1 Ų40.129%0.29122%0.224SC..Hα-helixtrans-60.6-44.2174.9-75.9-170-62.600112.1F59 W60 D115 E116 L121 G123F59-M119 HydrophobicContact CE1-CG 4.27Å; F59-M119 HydrophobicContact CZ-CG 4.41Å; W60-M119 HydrophobicContact CH2-CG 4.18Å; W60-M119 HydrophobicContact CH2-SD 3.71Å; W60-M119 HydrophobicContact CZ2-CG 4.17Å; W60-M119 HydrophobicContact CZ2-SD 3.71Å; D115-M119 WeakPolarHBondContact O-CB 3.38Å; D115-M119 VanDerWaalsContact O-CG 3.29Å; D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 2.96Å; E116-M119 HydrophobicContact CG-CE 4.34Å; E116-M119 PolarHBondContact O-N 2.88Å; E116-M119 WeakPolarHBondContact OE1-CE 3.34Å; M119-L121 VanDerWaalsContact C-N 3.33Å; M119-L121 PolarHBondContact O-N 3.4Å; M119-G123 WeakPolarHBondContact O-CA 3.27Å; M119-G123 PolarHBondContact O-N 2.94Å
120L98.8Very high98.6Very high4 Ų439.2 Ų39.22%0.02122%0.218CC..Hα-helixtrans-55.9-47.6173.2169.459.9000111.4E116 L117 S124 D125 W126 R168 I169 R172E116-L120 WeakPolarHBondContact O-CB 3.31Å; E116-L120 PolarHBondContact O-N 2.75Å; L117-L120 PolarHBondContact O-N 2.94Å; L120-S124 PolarHBondContact O-N 2.85Å; L120-D125 HydrophobicContact CD1-CB 4.01Å; L120-D125 WeakPolarHBondContact CD1-O 3.41Å; L120-D125 PolarHBondContact O-N 3.09Å; L120-W126 HydrophobicContact CD1-CD2 4.27Å; L120-W126 HydrophobicContact CD1-CE3 4.13Å; L120-W126 HydrophobicContact CD1-CH2 4.01Å; L120-W126 HydrophobicContact CD1-CZ2 4.15Å; L120-W126 HydrophobicContact CD1-CZ3 3.99Å; L120-W126 HydrophobicContact CD2-CH2 3.55Å; L120-W126 HydrophobicContact CD2-CZ2 4.28Å; L120-W126 HydrophobicContact CD2-CZ3 3.82Å; L120-W126 HydrophobicContact CG-CH2 3.63Å; L120-W126 HydrophobicContact CG-CZ2 3.84Å; L120-W126 HydrophobicContact CG-CZ3 4.06Å; L120-R168 HydrophobicContact CD1-CG 3.74Å; L120-R168 HydrophobicContact CD2-CG 4.11Å; L120-I169 HydrophobicContact CD2-CG1 4.15Å; L120-R172 HydrophobicContact CB-CG 4.46Å; L120-R172 HydrophobicContact CD1-CG 4.21Å; L120-R172 HydrophobicContact CD2-CB 4.28Å; L120-R172 HydrophobicContact CD2-CG 4.07Å; L120-R172 HydrophobicContact CG-CG 4.47Å
121L98.8Very high98.6Very high1 Ų138.4 Ų38.41%0.00521%0.212CC..Hα-helixtrans-67.9-54.8-177.5-9369000112.4W30 M80 L117 L118 M119 G123 S124 W126 I135 A138 V151W30-L121 HydrophobicContact CH2-CB 4.05Å; W30-L121 HydrophobicContact CH2-CD2 4.21Å; W30-L121 HydrophobicContact CH2-CG 4.35Å; W30-L121 HydrophobicContact CZ2-CB 4.39Å; W30-L121 WeakPolarHBondContact CZ2-O 3.48Å; W30-L121 HydrophobicContact CZ3-CD2 4.2Å; M80-L121 HydrophobicContact CE-CB 3.84Å; M80-L121 HydrophobicContact CE-CD2 3.99Å; L117-L121 HydrophobicContact CD1-CD1 4.01Å; L117-L121 HydrophobicContact CG-CD1 4.28Å; L117-L121 WeakPolarHBondContact O-CD1 3.24Å; L117-L121 PolarHBondContact O-N 3.23Å; L117-L121 VanDerWaalsContact O-N 3.15Å; L118-L121 PolarHBondContact O-N 2.83Å; M119-L121 VanDerWaalsContact C-N 3.33Å; M119-L121 PolarHBondContact O-N 3.4Å; L121-G123 VanDerWaalsContact C-N 3.3Å; L121-G123 PolarHBondContact O-N 2.68Å; L121-S124 PolarHBondContact O-N 3.35Å; L121-W126 HydrophobicContact CD1-CH2 4.22Å; L121-W126 HydrophobicContact CD1-CZ2 3.97Å; L121-W126 HydrophobicContact CG-CZ2 4.33Å; L121-I135 HydrophobicContact CD2-CG2 3.97Å; L121-I135 HydrophobicContact CG-CG2 3.91Å; L121-A138 HydrophobicContact CD2-CB 3.7Å; L121-V151 HydrophobicContact CD1-CG2 4.35Å
122I98.7Very high98.7Very high11 Ų1138.9 Ų38.96%0.05622%0.215CC..Hα-helixtrans-70.6-29.3-175.363.3119.4000112.3L26 W30 F53 F59 M80 L118 S124L26-I122 HydrophobicContact CD1-CB 4.19Å; L26-I122 HydrophobicContact CD2-CB 4.34Å; L26-I122 HydrophobicContact CD2-CD1 3.86Å; W30-I122 HydrophobicContact CD2-CG2 4.2Å; W30-I122 HydrophobicContact CG-CG2 4.15Å; F53-I122 HydrophobicContact CE2-CG2 3.95Å; F53-I122 HydrophobicContact CZ-CG2 4.19Å; F59-I122 HydrophobicContact CB-CD1 4.19Å; F59-I122 HydrophobicContact CD1-CD1 3.44Å; F59-I122 VanDerWaalsContact CD1-CD1 3.44Å; F59-I122 HydrophobicContact CD1-CG1 4.27Å; F59-I122 HydrophobicContact CD2-CD1 4.03Å; F59-I122 HydrophobicContact CD2-CG1 4.15Å; F59-I122 HydrophobicContact CD2-CG2 4.04Å; F59-I122 HydrophobicContact CE1-CD1 3.72Å; F59-I122 HydrophobicContact CE1-CG1 4.18Å; F59-I122 HydrophobicContact CE2-CD1 4.27Å; F59-I122 HydrophobicContact CE2-CG1 4.06Å; F59-I122 HydrophobicContact CE2-CG2 4.16Å; F59-I122 HydrophobicContact CG-CD1 3.6Å; F59-I122 HydrophobicContact CG-CG1 4.23Å; F59-I122 HydrophobicContact CZ-CD1 4.11Å; F59-I122 HydrophobicContact CZ-CG1 4.07Å; M80-I122 HydrophobicContact CE-CG2 3.59Å; M80-I122 HydrophobicContact SD-CG2 3.81Å; L118-I122 WeakPolarHBondContact O-CG1 3.31Å; L118-I122 PolarHBondContact O-N 2.9Å; I122-S124 VanDerWaalsContact C-N 3.27Å
123G98.6Very high98.7Very high50 Ų5041.8 Ų41.852%0.51522%0.224SC..THydrogen-bonded Turntrans-77.4-10.4175.300000113.8M119 L121 D125M119-G123 WeakPolarHBondContact O-CA 3.27Å; M119-G123 PolarHBondContact O-N 2.94Å; L121-G123 VanDerWaalsContact C-N 3.3Å; L121-G123 PolarHBondContact O-N 2.68Å; G123-D125 PolarHBondContact O-N 3.48Å
124S98.4Very high98.7Very high34 Ų3442.1 Ų42.124%0.23823%0.225CC..THydrogen-bonded Turntrans50.641.5-173.9-160.90000111.7L120 L121 I122 W126 D132L120-S124 PolarHBondContact O-N 2.85Å; L121-S124 PolarHBondContact O-N 3.35Å; I122-S124 VanDerWaalsContact C-N 3.27Å; S124-W126 PolarHBondContact O-N 2.86Å; S124-D132 WeakPolarHBondContact CB-OD1 3.32Å; S124-D132 PolarHBondContact OG-OD1 3.37Å
125D98.6Very high98.7Very high77 Ų7742.3 Ų42.341%0.41223%0.226SC..  trans-82.951.8-173.8-172.436.3000111.8L120 G123 R168 R172L120-D125 HydrophobicContact CD1-CB 4.01Å; L120-D125 WeakPolarHBondContact CD1-O 3.41Å; L120-D125 PolarHBondContact O-N 3.09Å; G123-D125 PolarHBondContact O-N 3.48Å; D125-R168 PolarHBondContact O-NH1 3.06Å; D125-R172 IonicContact OD1-NH2 2.68Å; D125-R172 IonicContact OD2-CZ 2.99Å; D125-R172 VanDerWaalsContact OD2-CZ 3.22Å; D125-R172 IonicContact OD2-NE 3.71Å; D125-R172 PolarHBondContact OD2-NE 3.23Å; D125-R172 IonicContact OD2-NH2 3.22Å; D125-R172 PolarHBondContact OD2-NH2 2.81Å
126W98.5Very high98.7Very high20 Ų2041.1 Ų41.18%0.07622%0.219CC..  trans-100.8158.9175.1-45.1102.3000110L120 L121 S124 T128 E131 I135 I165 R168 I169L120-W126 HydrophobicContact CD1-CD2 4.27Å; L120-W126 HydrophobicContact CD1-CE3 4.13Å; L120-W126 HydrophobicContact CD1-CH2 4.01Å; L120-W126 HydrophobicContact CD1-CZ2 4.15Å; L120-W126 HydrophobicContact CD1-CZ3 3.99Å; L120-W126 HydrophobicContact CD2-CH2 3.55Å; L120-W126 HydrophobicContact CD2-CZ2 4.28Å; L120-W126 HydrophobicContact CD2-CZ3 3.82Å; L120-W126 HydrophobicContact CG-CH2 3.63Å; L120-W126 HydrophobicContact CG-CZ2 3.84Å; L120-W126 HydrophobicContact CG-CZ3 4.06Å; L121-W126 HydrophobicContact CD1-CH2 4.22Å; L121-W126 HydrophobicContact CD1-CZ2 3.97Å; L121-W126 HydrophobicContact CG-CZ2 4.33Å; S124-W126 PolarHBondContact O-N 2.86Å; W126-T128 VanDerWaalsContact C-N 3.31Å; W126-E131 HydrophobicContact CB-CB 3.69Å; W126-E131 HydrophobicContact CD2-CB 4.35Å; W126-E131 HydrophobicContact CE3-CB 4.48Å; W126-E131 HydrophobicContact CG-CB 4.01Å; W126-I135 HydrophobicContact CH2-CD1 3.73Å; W126-I135 HydrophobicContact CH2-CG1 4.43Å; W126-I135 HydrophobicContact CZ2-CD1 3.4Å; W126-I135 HydrophobicContact CZ2-CG1 3.61Å; W126-I135 HydrophobicContact CZ3-CD1 4.47Å; W126-I165 HydrophobicContact CE3-CG1 4.22Å; W126-I165 HydrophobicContact CH2-CG2 4.07Å; W126-I165 HydrophobicContact CZ3-CB 4.24Å; W126-I165 HydrophobicContact CZ3-CG1 4.21Å; W126-I165 HydrophobicContact CZ3-CG2 3.8Å; W126-R168 HydrophobicContact CE3-CB 4.2Å; W126-R168 HydrophobicContact CE3-CG 3.76Å; W126-R168 HydrophobicContact CZ3-CB 4.06Å; W126-R168 HydrophobicContact CZ3-CG 3.76Å; W126-I169 HydrophobicContact CH2-CG1 4.47Å
127D98.3Very high98.7Very high123 Ų12338.5 Ų38.566%0.65821%0.207SC*.SBendtrans-77.8-23.6-179.5-68.8-14.6000112.2E131 R168D127-E131 PolarHBondContact N-OE2 2.91Å; D127-R168 IonicContact OD1-CZ 3.87Å; D127-R168 VanDerWaalsContact OD1-CZ 3.3Å; D127-R168 IonicContact OD1-NH1 2.73Å; D127-R168 PolarHBondContact OD1-NH1 2.93Å; D127-R168 IonicContact OD1-NH2 2.8Å; D127-R168 PolarHBondContact OD1-NH2 3.49Å; D127-R168 IonicContact OD2-CZ 3.33Å; D127-R168 IonicContact OD2-NH2 3.3Å; D127-R168 PolarHBondContact OD2-NH2 2.84Å
128T98.5Very high98.7Very high70 Ų7038.5 Ų38.543%0.42921%0.207SC..SBendtrans-137.4149.5-175.769.30000112.7W126 E130 E131 D132W126-T128 VanDerWaalsContact C-N 3.31Å; T128-E130 PolarHBondContact O-N 2.79Å; T128-E130 VanDerWaalsContact O-N 3.15Å; T128-E131 PolarHBondContact N-OE2 2.79Å; T128-E131 WeakPolarHBondContact O-CB 3.29Å; T128-E131 PolarHBondContact O-N 2.85Å; T128-E131 VanDerWaalsContact O-N 3.13Å; T128-E131 WeakPolarHBondContact OG1-CG 3.4Å; T128-E131 PolarHBondContact OG1-N 3.34Å; T128-E131 PolarHBondContact OG1-OE2 2.9Å; T128-D132 PolarHBondContact O-N 2.85Å
129D98.5Very high98.7Very high127 Ų12738.6 Ų38.668%0.67921%0.208SC*.Hα-helixtrans-61.1-22.9173.3-56.3-10000112.9E131 R133D129-E131 VanDerWaalsContact C-N 3.34Å; D129-R133 WeakPolarHBondContact O-CG 3.16Å; D129-R133 PolarHBondContact O-N 3.02Å; D129-R133 PolarHBondContact O-NH1 2.88Å
130E98.5Very high98.7Very high64 Ų6435.9 Ų35.930%0.29919%0.194SC..Hα-helixtrans-69.2-35.3177.8-172.855.5-141.500111.5T128 R133 Q134 T161T128-E130 PolarHBondContact O-N 2.79Å; T128-E130 VanDerWaalsContact O-N 3.15Å; E130-R133 PolarHBondContact O-N 2.95Å; E130-R133 IonicContact OE2-CZ 3.42Å; E130-R133 IonicContact OE2-NE 3.08Å; E130-R133 PolarHBondContact OE2-NE 2.9Å; E130-R133 IonicContact OE2-NH2 3.79Å; E130-R133 PolarHBondContact OE2-NH2 2.91Å; E130-Q134 PolarHBondContact O-N 2.83Å; E130-T161 HydrophobicContact CG-CG2 4.07Å
131E98.8Very high98.6Very high4 Ų437 Ų372%0.01920%0.199CC..Hα-helixtrans-66-45.7174.1-68.2168.4113.900111.1W126 D127 T128 D129 R133 Q134 I135 T161 S164 I165W126-E131 HydrophobicContact CB-CB 3.69Å; W126-E131 HydrophobicContact CD2-CB 4.35Å; W126-E131 HydrophobicContact CE3-CB 4.48Å; W126-E131 HydrophobicContact CG-CB 4.01Å; D127-E131 PolarHBondContact N-OE2 2.91Å; T128-E131 PolarHBondContact N-OE2 2.79Å; T128-E131 WeakPolarHBondContact O-CB 3.29Å; T128-E131 PolarHBondContact O-N 2.85Å; T128-E131 VanDerWaalsContact O-N 3.13Å; T128-E131 WeakPolarHBondContact OG1-CG 3.4Å; T128-E131 PolarHBondContact OG1-N 3.34Å; T128-E131 PolarHBondContact OG1-OE2 2.9Å; D129-E131 VanDerWaalsContact C-N 3.34Å; E131-R133 VanDerWaalsContact C-N 3.3Å; E131-R133 PolarHBondContact O-N 2.77Å; E131-Q134 WeakPolarHBondContact O-CB 3.31Å; E131-Q134 PolarHBondContact O-N 3.09Å; E131-Q134 VanDerWaalsContact O-N 3.09Å; E131-I135 WeakPolarHBondContact O-CG1 3.49Å; E131-T161 HydrophobicContact CB-CG2 4.35Å; E131-T161 HydrophobicContact CG-CG2 3.83Å; E131-S164 VanDerWaalsContact CD-OG 3.3Å; E131-S164 WeakPolarHBondContact CG-OG 3.39Å; E131-S164 WeakPolarHBondContact OE1-CB 3.4Å; E131-S164 PolarHBondContact OE1-OG 2.98Å; E131-I165 HydrophobicContact CB-CD1 4.18Å; E131-I165 HydrophobicContact CB-CG1 3.82Å; E131-I165 HydrophobicContact CG-CD1 4.48Å; E131-I165 HydrophobicContact CG-CG1 3.92Å
132D98.7Very high98.5Very high13 Ų1337.1 Ų37.17%0.0720%0.2CC..Hα-helixtrans-61.3-38.8177-173.379.4000112.5K82 S124 T128 Q134 I135K82-D132 PolarHBondContact NZ-O 2.85Å; K82-D132 VanDerWaalsContact NZ-O 3.17Å; K82-D132 IonicContact NZ-OD1 2.74Å; K82-D132 IonicContact NZ-OD2 3.08Å; K82-D132 PolarHBondContact NZ-OD2 3.09Å; S124-D132 WeakPolarHBondContact CB-OD1 3.32Å; S124-D132 PolarHBondContact OG-OD1 3.37Å; T128-D132 PolarHBondContact O-N 2.85Å; D132-Q134 PolarHBondContact O-N 2.76Å; D132-I135 PolarHBondContact O-N 3.08Å; D132-I135 VanDerWaalsContact O-N 3.09Å
133R98.7Very high98.2Very high139 Ų13940.3 Ų40.353%0.52521%0.212SC..Hα-helixtrans-61.7-26.4175.9-80.7-171-67.6-84.87.2113.5D129 E130 E131D129-R133 WeakPolarHBondContact O-CG 3.16Å; D129-R133 PolarHBondContact O-N 3.02Å; D129-R133 PolarHBondContact O-NH1 2.88Å; E130-R133 PolarHBondContact O-N 2.95Å; E130-R133 IonicContact OE2-CZ 3.42Å; E130-R133 IonicContact OE2-NE 3.08Å; E130-R133 PolarHBondContact OE2-NE 2.9Å; E130-R133 IonicContact OE2-NH2 3.79Å; E130-R133 PolarHBondContact OE2-NH2 2.91Å; E131-R133 VanDerWaalsContact C-N 3.3Å; E131-R133 PolarHBondContact O-N 2.77Å
134Q98.9Very high97.9Very high9 Ų942.5 Ų42.54%0.04222%0.219CC..Hα-helixtrans-75.2-26.2176-74-66.7-45.700112.6E130 E131 D132 C136 L153 T154 S155 T161 I165E130-Q134 PolarHBondContact O-N 2.83Å; E131-Q134 WeakPolarHBondContact O-CB 3.31Å; E131-Q134 PolarHBondContact O-N 3.09Å; E131-Q134 VanDerWaalsContact O-N 3.09Å; D132-Q134 PolarHBondContact O-N 2.76Å; Q134-C136 PolarHBondContact O-N 2.85Å; Q134-L153 HydrophobicContact CB-CD2 4.25Å; Q134-L153 CarbonylContact O-C 3.54Å; Q134-L153 WeakPolarHBondContact O-CA 3.32Å; Q134-T154 PolarHBondContact O-N 3.1Å; Q134-S155 PolarHBondContact NE2-OG 2.83Å; Q134-S155 VanDerWaalsContact OE1-N 3.14Å; Q134-S155 PolarHBondContact OE1-OG 3.11Å; Q134-T161 HydrophobicContact CG-CG2 3.68Å; Q134-I165 HydrophobicContact CB-CD1 3.64Å; Q134-I165 HydrophobicContact CG-CD1 4.21Å
135I98.9Very high97.5Very high3 Ų350.5 Ų50.52%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-70.3122-171-54.4-54.1000111.7W30 K82 L121 W126 E131 D132 V151 L153 I165W30-I135 HydrophobicContact CH2-CG2 3.87Å; W30-I135 HydrophobicContact CZ3-CG2 4.49Å; K82-I135 WeakPolarHBondContact CD-O 3.47Å; K82-I135 WeakPolarHBondContact CE-O 3.49Å; L121-I135 HydrophobicContact CD2-CG2 3.97Å; L121-I135 HydrophobicContact CG-CG2 3.91Å; W126-I135 HydrophobicContact CH2-CD1 3.73Å; W126-I135 HydrophobicContact CH2-CG1 4.43Å; W126-I135 HydrophobicContact CZ2-CD1 3.4Å; W126-I135 HydrophobicContact CZ2-CG1 3.61Å; W126-I135 HydrophobicContact CZ3-CD1 4.47Å; E131-I135 WeakPolarHBondContact O-CG1 3.49Å; D132-I135 PolarHBondContact O-N 3.08Å; D132-I135 VanDerWaalsContact O-N 3.09Å; I135-V151 HydrophobicContact CD1-CG1 4.18Å; I135-L153 HydrophobicContact CD1-CD2 3.61Å; I135-I165 HydrophobicContact CD1-CD1 4.07Å; I135-I165 HydrophobicContact CD1-CG1 4.49Å; I135-I165 HydrophobicContact CD1-CG2 4.17Å
136C98.9Very high97.2Very high1 Ų148.3 Ų48.31%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-95.6-48.3168.7-62.90000111.8F81 K82 I85 K93 N94 Q134 W152F81-C136 WeakPolarHBondContact CA-O 3.36Å; F81-C136 HydrophobicContact CD1-CB 4.21Å; F81-C136 WeakPolarHBondContact CD1-O 3.26Å; F81-C136 HydrophobicContact CE1-CB 4.15Å; K82-C136 PolarHBondContact N-O 2.72Å; I85-C136 HydrophobicContact CD1-CB 4.03Å; I85-C136 HydrophobicContact CG2-CB 4.38Å; K93-C136 PolarHBondContact O-SG 3.41Å; K93-C136 VanDerWaalsContact O-SG 3.38Å; N94-C136 VanDerWaalsContact OD1-CB 3.29Å; N94-C136 WeakPolarHBondContact OD1-CB 3.4Å; N94-C136 PolarHBondContact OD1-SG 3.31Å; Q134-C136 PolarHBondContact O-N 2.85Å; C136-W152 HydrophobicContact CB-CB 4.06Å; C136-W152 WeakPolarHBondContact CB-O 3.47Å; C136-W152 PolarHBondContact N-O 2.9Å
137G98.9Very high97Very high0 Ų048.4 Ų48.40%024%0.243CC..EExtended strand (participates in β ladder)trans173.3179.1-17400000114.5M80 V151 W152M80-G137 CarbonylContact O-C 3.58Å; M80-G137 WeakPolarHBondContact O-CA 3.13Å; G137-V151 CarbonylContact O-C 3.35Å; G137-V151 WeakPolarHBondContact O-CA 3.28Å; G137-W152 PolarHBondContact O-N 3.09Å
138A98.9Very high97Very high0 Ų044.7 Ų44.70%022%0.221CC..EExtended strand (participates in β ladder)trans-123.3153.4177.100000112.2Y79 M80 W114 L117 L118 L121 S150Y79-A138 WeakPolarHBondContact CA-O 3.41Å; M80-A138 PolarHBondContact N-O 3.43Å; M80-A138 PolarHBondContact O-N 3.38Å; W114-A138 HydrophobicContact CH2-CB 4.01Å; W114-A138 HydrophobicContact CZ3-CB 3.92Å; L117-A138 HydrophobicContact CD2-CB 3.91Å; L117-A138 HydrophobicContact CG-CB 4.32Å; L118-A138 HydrophobicContact CD2-CB 3.99Å; L121-A138 HydrophobicContact CD2-CB 3.7Å; A138-S150 CarbonylContact C-O 3.57Å; A138-S150 WeakPolarHBondContact CA-O 3.33Å
139V98.7Very high97Very high2 Ų241.3 Ų41.31%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-134134.3-179.9-1680000110.5L78 Y79 F81 W114 Q141 L149 S150L78-V139 CarbonylContact O-C 3.55Å; L78-V139 VanDerWaalsContact O-CA 3.32Å; L78-V139 WeakPolarHBondContact O-CA 3.43Å; L78-V139 WeakPolarHBondContact O-CG1 3.12Å; Y79-V139 HydrophobicContact CD1-CB 4.25Å; Y79-V139 HydrophobicContact CD1-CG1 3.85Å; Y79-V139 HydrophobicContact CD1-CG2 3.48Å; Y79-V139 VanDerWaalsContact CD1-CG2 3.48Å; Y79-V139 HydrophobicContact CD2-CG1 4.33Å; Y79-V139 HydrophobicContact CE1-CB 4.2Å; Y79-V139 HydrophobicContact CE1-CG1 3.51Å; Y79-V139 HydrophobicContact CE1-CG2 3.54Å; Y79-V139 HydrophobicContact CE2-CG1 4.04Å; Y79-V139 HydrophobicContact CG-CG1 4.21Å; Y79-V139 HydrophobicContact CG-CG2 4.34Å; F81-V139 HydrophobicContact CE2-CG2 3.91Å; F81-V139 HydrophobicContact CZ-CG2 4.12Å; W114-V139 VanDerWaalsContact CZ3-C 3.43Å; V139-Q141 HydrophobicContact CG1-CG 3.61Å; V139-L149 CarbonylContact O-C 3.53Å; V139-L149 VanDerWaalsContact O-CA 3.28Å; V139-L149 WeakPolarHBondContact O-CA 3.42Å; V139-S150 PolarHBondContact N-O 2.79Å; V139-S150 PolarHBondContact O-N 2.81Å
140F98.5Very high97Very high1 Ų135.3 Ų35.30%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-114.6126.6166.9174-114.2000110.6P69 I72 D77 L78 V110 W114 P142 L149P69-F140 HydrophobicContact CB-CD1 4.07Å; P69-F140 HydrophobicContact CB-CE1 3.65Å; P69-F140 HydrophobicContact CB-CZ 3.93Å; P69-F140 WeakPolarHBondContact O-CE1 3.45Å; I72-F140 HydrophobicContact CD1-CD1 4.14Å; I72-F140 HydrophobicContact CD1-CE1 4.17Å; D77-F140 VanDerWaalsContact CA-O 3.29Å; D77-F140 WeakPolarHBondContact CA-O 3.27Å; D77-F140 WeakPolarHBondContact CB-O 3.26Å; L78-F140 HydrophobicContact CB-CB 4.22Å; L78-F140 HydrophobicContact CD1-CB 4.47Å; L78-F140 HydrophobicContact CD1-CD1 4.01Å; L78-F140 HydrophobicContact CG-CD1 4.27Å; L78-F140 PolarHBondContact N-O 3.45Å; L78-F140 PolarHBondContact O-N 2.84Å; V110-F140 HydrophobicContact CB-CE2 4Å; V110-F140 HydrophobicContact CB-CZ 3.98Å; V110-F140 HydrophobicContact CG1-CE2 3.89Å; V110-F140 HydrophobicContact CG1-CZ 4.08Å; V110-F140 HydrophobicContact CG2-CZ 4.34Å; W114-F140 HydrophobicContact CD2-CB 3.96Å; W114-F140 HydrophobicContact CE3-CB 3.63Å; W114-F140 HydrophobicContact CH2-CB 3.97Å; W114-F140 HydrophobicContact CZ2-CB 4.28Å; W114-F140 HydrophobicContact CZ3-CB 3.65Å; F140-P142 HydrophobicContact CD1-CG 4.4Å; F140-P142 HydrophobicContact CE1-CB 3.94Å; F140-P142 HydrophobicContact CE1-CG 3.88Å; F140-P142 HydrophobicContact CZ-CB 3.96Å; F140-P142 HydrophobicContact CZ-CG 4.39Å; F140-L149 HydrophobicContact CD2-CD1 3.7Å; F140-L149 HydrophobicContact CD2-CG 4.03Å; F140-L149 HydrophobicContact CE2-CD1 4.07Å
141Q97.1Very high97Very high27 Ų2732.2 Ų32.213%0.12615%0.154CC..EExtended strand (participates in β ladder)trans-127.591.5-174.8-53.5-168.8-68.100110.6D77 V139 R143 S147 K148D77-Q141 HydrophobicContact CB-CG 4.32Å; D77-Q141 PolarHBondContact OD2-NE2 3.08Å; V139-Q141 HydrophobicContact CG1-CG 3.61Å; Q141-R143 PolarHBondContact O-N 2.76Å; Q141-S147 WeakPolarHBondContact O-CA 3.21Å; Q141-K148 HydrophobicContact CB-CB 4.33Å; Q141-K148 PolarHBondContact N-O 2.71Å; Q141-K148 PolarHBondContact O-N 3.19Å
142P96.3Very high97Very high4 Ų432.7 Ų32.73%0.02616%0.156CC..  trans-71.3124.2175.828.2-31.9000110.2I72 Y74 G75 K76 F140 S147I72-P142 HydrophobicContact CB-CG 4.08Å; I72-P142 HydrophobicContact CG2-CG 3.63Å; Y74-P142 HydrophobicContact CD1-CB 4.18Å; G75-P142 PolarHBondContact N-O 2.97Å; K76-P142 WeakPolarHBondContact O-CD 3.11Å; K76-P142 WeakPolarHBondContact O-CG 3.14Å; F140-P142 HydrophobicContact CD1-CG 4.4Å; F140-P142 HydrophobicContact CE1-CB 3.94Å; F140-P142 HydrophobicContact CE1-CG 3.88Å; F140-P142 HydrophobicContact CZ-CB 3.96Å; F140-P142 HydrophobicContact CZ-CG 4.39Å; P142-S147 WeakPolarHBondContact CA-OG 3.4Å
143R93.6Very high97Very high78 Ų7832.1 Ų32.129%0.29415%0.153SC..  trans-137.1146.9180-58.8-70.4178.8-88.7-0.1110.1Y74 D77 Q141 R145 G146Y74-R143 VanDerWaalsContact CD1-C 3.45Å; Y74-R143 VanDerWaalsContact CE1-C 3.48Å; D77-R143 IonicContact OD1-CZ 2.65Å; D77-R143 IonicContact OD1-NH1 2.93Å; D77-R143 PolarHBondContact OD1-NH1 2.71Å; D77-R143 IonicContact OD1-NH2 2.9Å; D77-R143 PolarHBondContact OD1-NH2 2.95Å; D77-R143 IonicContact OD2-CZ 3.27Å; D77-R143 IonicContact OD2-NH2 3.17Å; D77-R143 PolarHBondContact OD2-NH2 3.35Å; Q141-R143 PolarHBondContact O-N 2.76Å; R143-R145 PolarHBondContact O-N 3.43Å; R143-G146 WeakPolarHBondContact CB-O 3.4Å; R143-G146 CarbonylContact O-C 3.6Å; R143-G146 PolarHBondContact O-N 2.76Å; R143-G146 VanDerWaalsContact O-N 3.08Å
144S91.9Very high97Very high96 Ų9627.1 Ų27.167%0.67114%0.138SC*.THydrogen-bonded Turntrans-62.5-26.7178.255.80000114.1
145R89.4Confident97Very high203 Ų20327.3 Ų27.377%0.76614%0.14SC*.THydrogen-bonded Turntrans-89.13.6177.6-66.8-170.5179.1-178.6-0.9114.1R143 G193R143-R145 PolarHBondContact O-N 3.43Å; R145-G193 PolarHBondContact NH1-O 3.24Å
146G92.3Very high97Very high31 Ų3129.1 Ų29.132%0.3215%0.15SC..  trans127.6119.8-174.300000110.8R143R143-G146 WeakPolarHBondContact CB-O 3.4Å; R143-G146 CarbonylContact O-C 3.6Å; R143-G146 PolarHBondContact O-N 2.76Å; R143-G146 VanDerWaalsContact O-N 3.08Å
147S95.4Very high96.9Very high21 Ų2133.9 Ų33.915%0.14718%0.175CC..  trans-67.1155176.2-59.70000110.8V104 Q141 P142V104-S147 WeakPolarHBondContact CB-O 3.35Å; V104-S147 WeakPolarHBondContact CG2-O 3.29Å; V104-S147 PolarHBondContact N-O 3.31Å; Q141-S147 WeakPolarHBondContact O-CA 3.21Å; P142-S147 WeakPolarHBondContact CA-OG 3.4Å
148K96.7Very high96.9Very high45 Ų4538.2 Ų38.220%0.19620%0.196CC..EExtended strand (participates in β ladder)trans-128.7140.2179.5-62.9170.6-179.9-1760110.2L101 I102 Q141L101-K148 HydrophobicContact CD1-CB 3.97Å; L101-K148 HydrophobicContact CD1-CD 4.02Å; L101-K148 HydrophobicContact CD1-CG 4.13Å; I102-K148 VanDerWaalsContact O-CA 3.3Å; I102-K148 WeakPolarHBondContact O-CA 3.48Å; Q141-K148 HydrophobicContact CB-CB 4.33Å; Q141-K148 PolarHBondContact N-O 2.71Å; Q141-K148 PolarHBondContact O-N 3.19Å
149L98.3Very high96.9Very high0 Ų043.6 Ų43.60%022%0.221CC..EExtended strand (participates in β ladder)trans-108.9153.5161.7-77.678.4000108.5I102 V104 L113 W114 L117 V139 F140 L173I102-L149 HydrophobicContact CB-CB 4.1Å; I102-L149 HydrophobicContact CD1-CB 3.89Å; I102-L149 PolarHBondContact N-O 2.92Å; I102-L149 PolarHBondContact O-N 2.97Å; V104-L149 HydrophobicContact CG2-CD1 3.25Å; L113-L149 HydrophobicContact CB-CD1 4.45Å; L113-L149 HydrophobicContact CB-CD2 3.83Å; L113-L149 HydrophobicContact CD1-CD1 4.33Å; W114-L149 HydrophobicContact CE3-CD2 4.08Å; W114-L149 HydrophobicContact CE3-CG 4.41Å; L117-L149 HydrophobicContact CB-CD2 4.5Å; L117-L149 HydrophobicContact CD2-CB 4.35Å; L117-L149 HydrophobicContact CD2-CD2 3.83Å; V139-L149 CarbonylContact O-C 3.53Å; V139-L149 VanDerWaalsContact O-CA 3.28Å; V139-L149 WeakPolarHBondContact O-CA 3.42Å; F140-L149 HydrophobicContact CD2-CD1 3.7Å; F140-L149 HydrophobicContact CD2-CG 4.03Å; F140-L149 HydrophobicContact CE2-CD1 4.07Å; L149-L173 HydrophobicContact CD2-CD2 4.33Å
150S98.7Very high96.9Very high0 Ų051.5 Ų51.50%026%0.258CS..EExtended strand (participates in β ladder)trans-146.6146.3173.9-58.20000112.1W100 A138 V139W100-S150 CarbonylContact O-C 3.47Å; W100-S150 WeakPolarHBondContact O-CA 3.47Å; A138-S150 CarbonylContact C-O 3.57Å; A138-S150 WeakPolarHBondContact CA-O 3.33Å; V139-S150 PolarHBondContact N-O 2.79Å; V139-S150 PolarHBondContact O-N 2.81Å
151V98.9Very high96.9Very high0 Ų052.4 Ų52.40%026%0.263CS..EExtended strand (participates in β ladder)trans-115.1122.3166-179.40000108R99 W100 L117 L121 I135 G137 L153 I169R99-V151 CarbonylContact C-O 3.59Å; R99-V151 WeakPolarHBondContact CA-O 3.45Å; R99-V151 WeakPolarHBondContact CB-O 3.3Å; W100-V151 PolarHBondContact N-O 3.16Å; W100-V151 PolarHBondContact O-N 3.01Å; L117-V151 HydrophobicContact CD1-CG2 3.57Å; L117-V151 HydrophobicContact CD2-CG2 4.07Å; L117-V151 HydrophobicContact CG-CG2 4.24Å; L121-V151 HydrophobicContact CD1-CG2 4.35Å; I135-V151 HydrophobicContact CD1-CG1 4.18Å; G137-V151 CarbonylContact O-C 3.35Å; G137-V151 WeakPolarHBondContact O-CA 3.28Å; V151-L153 HydrophobicContact CG1-CD2 3.98Å; V151-I169 HydrophobicContact CB-CD1 3.84Å; V151-I169 HydrophobicContact CG1-CD1 4.27Å; V151-I169 HydrophobicContact CG2-CD1 3.58Å; V151-I169 HydrophobicContact CG2-CG1 4.25Å
152W98.9Very high97Very high13 Ų1351.1 Ų51.15%0.04926%0.257CS..EExtended strand (participates in β ladder)trans-91.5132.1-179.9-73.738000109.6F81 W89 N94 G98 R99 C136 G137F81-W152 HydrophobicContact CE1-CB 4.08Å; F81-W152 HydrophobicContact CE1-CD2 4.07Å; F81-W152 AromaticContact CE1-CE3 3.85Å; F81-W152 HydrophobicContact CE1-CE3 3.85Å; F81-W152 HydrophobicContact CE1-CG 4.19Å; F81-W152 HydrophobicContact CZ-CB 4.12Å; F81-W152 AromaticContact CZ-CD2 3.73Å; F81-W152 HydrophobicContact CZ-CD2 3.73Å; F81-W152 AromaticContact CZ-CE3 3.91Å; F81-W152 HydrophobicContact CZ-CE3 3.91Å; F81-W152 AromaticContact CZ-CG 3.83Å; F81-W152 HydrophobicContact CZ-CG 3.83Å; W89-W152 AromaticContact CD1-CH2 3.13Å; W89-W152 AromaticContact CD1-CZ2 3.95Å; W89-W152 AromaticContact CD1-CZ3 3.34Å; W89-W152 HydrophobicContact CG-CH2 4.01Å; W89-W152 HydrophobicContact CG-CZ3 4.26Å; W89-W152 AromaticContact NE1-CH2 3.24Å; W89-W152 AromaticContact NE1-CZ2 3.6Å; W89-W152 AromaticContact NE1-CZ3 3.89Å; N94-W152 HydrophobicContact CB-CE3 4.13Å; N94-W152 HydrophobicContact CB-CZ3 4.19Å; G98-W152 CarbonylContact O-C 3.38Å; G98-W152 WeakPolarHBondContact O-CA 3.43Å; R99-W152 HydrophobicContact CB-CG 4.31Å; C136-W152 HydrophobicContact CB-CB 4.06Å; C136-W152 WeakPolarHBondContact CB-O 3.47Å; C136-W152 PolarHBondContact N-O 2.9Å; G137-W152 PolarHBondContact O-N 3.09Å
153L98.9Very high97.1Very high1 Ų152.1 Ų52.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-116.2150.1-180-55.1-172.1000110.8G97 G98 Q134 I135 V151 I162 I165 F181G97-L153 WeakPolarHBondContact CA-O 3.21Å; G98-L153 PolarHBondContact N-O 2.91Å; G98-L153 VanDerWaalsContact N-O 3.11Å; G98-L153 PolarHBondContact O-N 3.39Å; Q134-L153 HydrophobicContact CB-CD2 4.25Å; Q134-L153 CarbonylContact O-C 3.54Å; Q134-L153 WeakPolarHBondContact O-CA 3.32Å; I135-L153 HydrophobicContact CD1-CD2 3.61Å; V151-L153 HydrophobicContact CG1-CD2 3.98Å; L153-I162 HydrophobicContact CD1-CB 4.33Å; L153-I162 HydrophobicContact CD1-CG1 3.94Å; L153-I162 HydrophobicContact CD1-CG2 4.17Å; L153-I165 HydrophobicContact CD1-CD1 3.97Å; L153-I165 HydrophobicContact CD1-CG2 4.27Å; L153-I165 HydrophobicContact CD2-CD1 3.97Å; L153-I165 HydrophobicContact CD2-CG2 4.16Å; L153-F181 HydrophobicContact CB-CE2 4.25Å; L153-F181 HydrophobicContact CD1-CD2 4.46Å; L153-F181 HydrophobicContact CD1-CE2 3.76Å; L153-F181 HydrophobicContact CG-CE2 4.13Å
154T98.8Very high97.3Very high35 Ų3549.8 Ų49.822%0.21526%0.258CS..SBendtrans-76.2-22.8-173-159.60000114.3K93 G97 Q134K93-T154 WeakPolarHBondContact O-CA 3.44Å; K93-T154 WeakPolarHBondContact O-CB 3.4Å; K93-T154 PolarHBondContact O-OG1 2.87Å; G97-T154 WeakPolarHBondContact CA-O 3.39Å; Q134-T154 PolarHBondContact O-N 3.1Å
155S98.6Very high97.7Very high13 Ų1345.2 Ų45.29%0.09123%0.226CC..  trans-121.6158.917577.30000111.7N96 Q134 E158N96-S155 CarbonylContact O-C 3.6Å; Q134-S155 PolarHBondContact NE2-OG 2.83Å; Q134-S155 VanDerWaalsContact OE1-N 3.14Å; Q134-S155 PolarHBondContact OE1-OG 3.11Å; S155-E158 WeakPolarHBondContact OG-CB 3.48Å; S155-E158 WeakPolarHBondContact OG-CG 3.37Å
156D98.4Very high98.1Very high40 Ų4035.6 Ų35.621%0.21419%0.189CC..SBendtrans-106.6-4.817279.426.1000114.1N96 I162 F181 P183 K200N96-D156 PolarHBondContact O-N 3.24Å; D156-I162 VanDerWaalsContact C-CD1 3.44Å; D156-F181 HydrophobicContact CB-CE1 4.01Å; D156-F181 HydrophobicContact CB-CZ 4.43Å; D156-P183 HydrophobicContact CB-CB 4.08Å; D156-P183 HydrophobicContact CB-CG 4.18Å; D156-K200 WeakPolarHBondContact O-CE 3.4Å; D156-K200 PolarHBondContact O-NZ 3.27Å; D156-K200 IonicContact OD1-NZ 3.97Å; D156-K200 PolarHBondContact OD1-NZ 3.41Å
157N98.2Very high98.4Very high102 Ų10240 Ų4055%0.54520%0.197SC..  trans-125.8-3.5-164.362.5-11000115.2E159N157-E159 PolarHBondContact O-N 2.89Å
158E98.2Very high98.6Very high91 Ų9140 Ų4043%0.42519%0.193SC..  trans-77.567.7171.2-63-62.2153.800110.6S155 E160 T161 I162S155-E158 WeakPolarHBondContact OG-CB 3.48Å; S155-E158 WeakPolarHBondContact OG-CG 3.37Å; E158-E160 PolarHBondContact O-N 2.82Å; E158-T161 PolarHBondContact O-N 3.38Å; E158-I162 HydrophobicContact CB-CD1 4.39Å; E158-I162 HydrophobicContact CB-CG1 4.46Å; E158-I162 WeakPolarHBondContact O-CB 3.34Å; E158-I162 VanDerWaalsContact O-CG1 3.22Å; E158-I162 WeakPolarHBondContact O-CG1 3.09Å; E158-I162 PolarHBondContact O-N 3.17Å
159E98.5Very high98.7Very high113 Ų11337.9 Ų37.953%0.52818%0.184SC..Hα-helixtrans-49.7-49-167.4-178.7176.2154.200114.1N157 I162 L163 Y201N157-E159 PolarHBondContact O-N 2.89Å; E159-I162 PolarHBondContact O-N 3.08Å; E159-L163 HydrophobicContact CG-CD1 3.83Å; E159-L163 HydrophobicContact CG-CG 4.43Å; E159-L163 WeakPolarHBondContact O-CB 3.29Å; E159-L163 VanDerWaalsContact O-CG 3.26Å; E159-L163 WeakPolarHBondContact O-CG 3.42Å; E159-L163 PolarHBondContact O-N 3Å; E159-Y201 HydrophobicContact CB-CE1 4.25Å; E159-Y201 HydrophobicContact CG-CD1 4.38Å; E159-Y201 HydrophobicContact CG-CE1 3.72Å
160E98.6Very high98.7Very high168 Ų16839.3 Ų39.379%0.78519%0.19SC*.Hα-helixtrans-61.4-50.3-177.3-175.2173.2-17600111.5E158 L163 S164E158-E160 PolarHBondContact O-N 2.82Å; E160-L163 PolarHBondContact O-N 3.38Å; E160-S164 PolarHBondContact O-N 3.37Å
161T98.7Very high98.7Very high19 Ų1944.8 Ų44.812%0.11722%0.216CC..Hα-helixtrans-66.1-41.9178.9-48.90000111.8E130 E131 Q134 E158 L163 S164 I165E130-T161 HydrophobicContact CG-CG2 4.07Å; E131-T161 HydrophobicContact CB-CG2 4.35Å; E131-T161 HydrophobicContact CG-CG2 3.83Å; Q134-T161 HydrophobicContact CG-CG2 3.68Å; E158-T161 PolarHBondContact O-N 3.38Å; T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 2.99Å; T161-S164 PolarHBondContact O-N 2.96Å; T161-S164 PolarHBondContact O-OG 2.85Å; T161-I165 HydrophobicContact CG2-CD1 4.06Å; T161-I165 WeakPolarHBondContact O-CB 3.48Å; T161-I165 WeakPolarHBondContact O-CD1 3.35Å; T161-I165 VanDerWaalsContact O-CG1 3.27Å; T161-I165 WeakPolarHBondContact O-CG1 3.38Å; T161-I165 PolarHBondContact O-N 2.97Å
162I98.9Very high98.7Very high0 Ų048.1 Ų48.10%023%0.228CC..Hα-helixtrans-62.5-44.5178.2-69.4167.2000110.1W100 L153 D156 E158 E159 G166 F181 Y201W100-I162 HydrophobicContact CZ2-CG2 3.86Å; W100-I162 WeakPolarHBondContact CZ2-O 3.49Å; W100-I162 PolarHBondContact NE1-O 2.86Å; L153-I162 HydrophobicContact CD1-CB 4.33Å; L153-I162 HydrophobicContact CD1-CG1 3.94Å; L153-I162 HydrophobicContact CD1-CG2 4.17Å; D156-I162 VanDerWaalsContact C-CD1 3.44Å; E158-I162 HydrophobicContact CB-CD1 4.39Å; E158-I162 HydrophobicContact CB-CG1 4.46Å; E158-I162 WeakPolarHBondContact O-CB 3.34Å; E158-I162 VanDerWaalsContact O-CG1 3.22Å; E158-I162 WeakPolarHBondContact O-CG1 3.09Å; E158-I162 PolarHBondContact O-N 3.17Å; E159-I162 PolarHBondContact O-N 3.08Å; I162-G166 PolarHBondContact O-N 2.93Å; I162-F181 HydrophobicContact CD1-CE1 4.04Å; I162-F181 HydrophobicContact CD1-CZ 3.9Å; I162-F181 HydrophobicContact CG1-CZ 4.37Å; I162-F181 HydrophobicContact CG2-CB 4.44Å; I162-F181 HydrophobicContact CG2-CD1 4.09Å; I162-F181 HydrophobicContact CG2-CD2 3.56Å; I162-F181 HydrophobicContact CG2-CE1 4.22Å; I162-F181 HydrophobicContact CG2-CE2 3.74Å; I162-F181 HydrophobicContact CG2-CG 3.75Å; I162-F181 HydrophobicContact CG2-CZ 4.05Å; I162-Y201 HydrophobicContact CB-CD2 4.45Å; I162-Y201 HydrophobicContact CB-CE2 4.37Å; I162-Y201 HydrophobicContact CD1-CE2 4Å; I162-Y201 HydrophobicContact CG2-CD2 3.66Å; I162-Y201 HydrophobicContact CG2-CE2 3.99Å
163L98.8Very high98.7Very high25 Ų2547.6 Ų47.613%0.13123%0.227CC..Hα-helixtrans-67.3-39.5177.7-73.4173.3000112.5W100 E159 E160 T161 G166 R167 Y201 I203W100-L163 HydrophobicContact CH2-CD2 4.33Å; W100-L163 HydrophobicContact CZ2-CD2 4.38Å; E159-L163 HydrophobicContact CG-CD1 3.83Å; E159-L163 HydrophobicContact CG-CG 4.43Å; E159-L163 WeakPolarHBondContact O-CB 3.29Å; E159-L163 VanDerWaalsContact O-CG 3.26Å; E159-L163 WeakPolarHBondContact O-CG 3.42Å; E159-L163 PolarHBondContact O-N 3Å; E160-L163 PolarHBondContact O-N 3.38Å; T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 2.99Å; L163-G166 PolarHBondContact O-N 2.97Å; L163-R167 WeakPolarHBondContact O-CG 3.39Å; L163-R167 PolarHBondContact O-N 3.08Å; L163-Y201 HydrophobicContact CD2-CG 4.4Å; L163-I203 HydrophobicContact CD2-CG2 3.78Å
164S98.8Very high98.6Very high30 Ų3054.8 Ų54.821%0.2126%0.26CS..Hα-helixtrans-65-44.5177.671.30000111.7E131 E160 T161 G166 R167 R168E131-S164 VanDerWaalsContact CD-OG 3.3Å; E131-S164 WeakPolarHBondContact CG-OG 3.39Å; E131-S164 WeakPolarHBondContact OE1-CB 3.4Å; E131-S164 PolarHBondContact OE1-OG 2.98Å; E160-S164 PolarHBondContact O-N 3.37Å; T161-S164 PolarHBondContact O-N 2.96Å; T161-S164 PolarHBondContact O-OG 2.85Å; S164-G166 VanDerWaalsContact C-N 3.31Å; S164-G166 PolarHBondContact O-N 2.92Å; S164-R167 PolarHBondContact O-N 2.78Å; S164-R167 VanDerWaalsContact O-N 3.16Å; S164-R168 PolarHBondContact O-N 3.15Å
165I98.9Very high98.6Very high0 Ų053.9 Ų53.90%025%0.254CS..Hα-helixtrans-56-47.2172.2-71.4166.3000110.6W126 E131 Q134 I135 L153 T161 R167 R168 I169W126-I165 HydrophobicContact CE3-CG1 4.22Å; W126-I165 HydrophobicContact CH2-CG2 4.07Å; W126-I165 HydrophobicContact CZ3-CB 4.24Å; W126-I165 HydrophobicContact CZ3-CG1 4.21Å; W126-I165 HydrophobicContact CZ3-CG2 3.8Å; E131-I165 HydrophobicContact CB-CD1 4.18Å; E131-I165 HydrophobicContact CB-CG1 3.82Å; E131-I165 HydrophobicContact CG-CD1 4.48Å; E131-I165 HydrophobicContact CG-CG1 3.92Å; Q134-I165 HydrophobicContact CB-CD1 3.64Å; Q134-I165 HydrophobicContact CG-CD1 4.21Å; I135-I165 HydrophobicContact CD1-CD1 4.07Å; I135-I165 HydrophobicContact CD1-CG1 4.49Å; I135-I165 HydrophobicContact CD1-CG2 4.17Å; L153-I165 HydrophobicContact CD1-CD1 3.97Å; L153-I165 HydrophobicContact CD1-CG2 4.27Å; L153-I165 HydrophobicContact CD2-CD1 3.97Å; L153-I165 HydrophobicContact CD2-CG2 4.16Å; T161-I165 HydrophobicContact CG2-CD1 4.06Å; T161-I165 WeakPolarHBondContact O-CB 3.48Å; T161-I165 WeakPolarHBondContact O-CD1 3.35Å; T161-I165 VanDerWaalsContact O-CG1 3.27Å; T161-I165 WeakPolarHBondContact O-CG1 3.38Å; T161-I165 PolarHBondContact O-N 2.97Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3.26Å; I165-R168 PolarHBondContact O-N 3.29Å; I165-I169 HydrophobicContact CG2-CD1 3.73Å; I165-I169 HydrophobicContact CG2-CG1 4.38Å; I165-I169 VanDerWaalsContact O-CG1 3.28Å; I165-I169 WeakPolarHBondContact O-CG1 3.44Å; I165-I169 PolarHBondContact O-N 3.35Å
166G98.8Very high98.5Very high0 Ų060 Ų600%028%0.281CS..Hα-helixtrans-59.6-43.1178.900000112.5I162 L163 S164 I169 K170I162-G166 PolarHBondContact O-N 2.93Å; L163-G166 PolarHBondContact O-N 2.97Å; S164-G166 VanDerWaalsContact C-N 3.31Å; S164-G166 PolarHBondContact O-N 2.92Å; G166-I169 WeakPolarHBondContact O-CB 3.29Å; G166-I169 PolarHBondContact O-N 2.88Å; G166-K170 PolarHBondContact O-N 3.29Å
167R98.8Very high98.4Very high125 Ų12561.9 Ų61.947%0.47229%0.291SS..Hα-helixtrans-63-45.7176.6-69.5178-160.5108.20.7111.1L163 S164 I165 I169 K170 E171 I203L163-R167 WeakPolarHBondContact O-CG 3.39Å; L163-R167 PolarHBondContact O-N 3.08Å; S164-R167 PolarHBondContact O-N 2.78Å; S164-R167 VanDerWaalsContact O-N 3.16Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3.26Å; R167-I169 VanDerWaalsContact C-N 3.31Å; R167-I169 PolarHBondContact O-N 3.41Å; R167-K170 PolarHBondContact O-N 2.93Å; R167-K170 VanDerWaalsContact O-N 3.11Å; R167-E171 WeakPolarHBondContact O-CG 3.25Å; R167-E171 PolarHBondContact O-N 2.88Å; R167-I203 HydrophobicContact CG-CD1 3.96Å; R167-I203 VanDerWaalsContact N-CD1 3.31Å
168R98.8Very high98.4Very high20 Ų2059.9 Ų59.98%0.07528%0.283CS..Hα-helixtrans-59-40.8176.3179.654.75179.18.1112.1L120 D125 W126 D127 S164 I165 E171 R172L120-R168 HydrophobicContact CD1-CG 3.74Å; L120-R168 HydrophobicContact CD2-CG 4.11Å; D125-R168 PolarHBondContact O-NH1 3.06Å; W126-R168 HydrophobicContact CE3-CB 4.2Å; W126-R168 HydrophobicContact CE3-CG 3.76Å; W126-R168 HydrophobicContact CZ3-CB 4.06Å; W126-R168 HydrophobicContact CZ3-CG 3.76Å; D127-R168 IonicContact OD1-CZ 3.87Å; D127-R168 VanDerWaalsContact OD1-CZ 3.3Å; D127-R168 IonicContact OD1-NH1 2.73Å; D127-R168 PolarHBondContact OD1-NH1 2.93Å; D127-R168 IonicContact OD1-NH2 2.8Å; D127-R168 PolarHBondContact OD1-NH2 3.49Å; D127-R168 IonicContact OD2-CZ 3.33Å; D127-R168 IonicContact OD2-NH2 3.3Å; D127-R168 PolarHBondContact OD2-NH2 2.84Å; S164-R168 PolarHBondContact O-N 3.15Å; I165-R168 PolarHBondContact O-N 3.29Å; R168-E171 IonicContact NE-OE2 3.6Å; R168-E171 PolarHBondContact NE-OE2 2.91Å; R168-E171 PolarHBondContact O-N 2.77Å; R168-R172 VanDerWaalsContact CD-CZ 3.45Å; R168-R172 WeakPolarHBondContact O-CG 3.33Å; R168-R172 PolarHBondContact O-N 3.36Å
169I98.9Very high98.4Very high0 Ų055.7 Ų55.70%026%0.263CS..Hα-helixtrans-60.2-48.7173.4-70.2164.1000110.5W100 I102 L120 W126 V151 I165 G166 R167 E171 R172 L173 L175W100-I169 HydrophobicContact CB-CD1 4.12Å; W100-I169 HydrophobicContact CG-CD1 4.19Å; I102-I169 HydrophobicContact CD1-CG2 3.82Å; L120-I169 HydrophobicContact CD2-CG1 4.15Å; W126-I169 HydrophobicContact CH2-CG1 4.47Å; V151-I169 HydrophobicContact CB-CD1 3.84Å; V151-I169 HydrophobicContact CG1-CD1 4.27Å; V151-I169 HydrophobicContact CG2-CD1 3.58Å; V151-I169 HydrophobicContact CG2-CG1 4.25Å; I165-I169 HydrophobicContact CG2-CD1 3.73Å; I165-I169 HydrophobicContact CG2-CG1 4.38Å; I165-I169 VanDerWaalsContact O-CG1 3.28Å; I165-I169 WeakPolarHBondContact O-CG1 3.44Å; I165-I169 PolarHBondContact O-N 3.35Å; G166-I169 WeakPolarHBondContact O-CB 3.29Å; G166-I169 PolarHBondContact O-N 2.88Å; R167-I169 VanDerWaalsContact C-N 3.31Å; R167-I169 PolarHBondContact O-N 3.41Å; I169-E171 VanDerWaalsContact C-N 3.32Å; I169-E171 PolarHBondContact O-N 2.79Å; I169-R172 PolarHBondContact O-N 3.08Å; I169-L173 HydrophobicContact CG2-CD2 4.34Å; I169-L173 WeakPolarHBondContact O-CB 3.5Å; I169-L173 PolarHBondContact O-N 3.07Å; I169-L175 HydrophobicContact CG2-CD1 4.3Å
170K98.7Very high98.4Very high31 Ų3151.9 Ų51.914%0.13524%0.244CC..Hα-helixtrans-61.1-41.1178.7-67-166.772.1152.80112.4G166 R167 E174 L175 D177 I179 I203G166-K170 PolarHBondContact O-N 3.29Å; R167-K170 PolarHBondContact O-N 2.93Å; R167-K170 VanDerWaalsContact O-N 3.11Å; K170-E174 WeakPolarHBondContact O-CA 3.47Å; K170-E174 PolarHBondContact O-N 2.9Å; K170-E174 VanDerWaalsContact O-N 3.09Å; K170-L175 HydrophobicContact CB-CB 4.21Å; K170-L175 WeakPolarHBondContact CE-O 3.15Å; K170-L175 HydrophobicContact CG-CB 4.16Å; K170-L175 HydrophobicContact CG-CD1 4.37Å; K170-L175 PolarHBondContact O-N 2.9Å; K170-D177 WeakPolarHBondContact CE-O 3.48Å; K170-D177 PolarHBondContact NZ-O 2.91Å; K170-I179 HydrophobicContact CD-CD1 4.28Å; K170-I179 HydrophobicContact CD-CG1 4.09Å; K170-I179 HydrophobicContact CG-CD1 3.76Å; K170-I179 HydrophobicContact CG-CG1 4.08Å; K170-I179 HydrophobicContact CG-CG2 4.34Å; K170-I203 HydrophobicContact CD-CD1 4.47Å; K170-I203 HydrophobicContact CD-CG1 4.12Å; K170-I203 PolarHBondContact NZ-O 2.9Å; K170-I203 PolarHBondContact NZ-OXT 3.1Å
171E98.6Very high98.4Very high114 Ų11443.9 Ų43.953%0.53321%0.207SC..Hα-helixtrans-61.2-51.7177.3-72.7169.1-179.100111.9R167 R168 I169 E174R167-E171 WeakPolarHBondContact O-CG 3.25Å; R167-E171 PolarHBondContact O-N 2.88Å; R168-E171 IonicContact NE-OE2 3.6Å; R168-E171 PolarHBondContact NE-OE2 2.91Å; R168-E171 PolarHBondContact O-N 2.77Å; I169-E171 VanDerWaalsContact C-N 3.32Å; I169-E171 PolarHBondContact O-N 2.79Å; E171-E174 PolarHBondContact O-N 2.85Å
172R98.5Very high98.3Very high71 Ų7143.3 Ų43.327%0.26820%0.203SC..Hα-helixtrans-69.2-35.3-176.7-67-69.3-178-76.50112.8L120 D125 R168 I169L120-R172 HydrophobicContact CB-CG 4.46Å; L120-R172 HydrophobicContact CD1-CG 4.21Å; L120-R172 HydrophobicContact CD2-CB 4.28Å; L120-R172 HydrophobicContact CD2-CG 4.07Å; L120-R172 HydrophobicContact CG-CG 4.47Å; D125-R172 IonicContact OD1-NH2 2.68Å; D125-R172 IonicContact OD2-CZ 2.99Å; D125-R172 VanDerWaalsContact OD2-CZ 3.22Å; D125-R172 IonicContact OD2-NE 3.71Å; D125-R172 PolarHBondContact OD2-NE 3.23Å; D125-R172 IonicContact OD2-NH2 3.22Å; D125-R172 PolarHBondContact OD2-NH2 2.81Å; R168-R172 VanDerWaalsContact CD-CZ 3.45Å; R168-R172 WeakPolarHBondContact O-CG 3.33Å; R168-R172 PolarHBondContact O-N 3.36Å; I169-R172 PolarHBondContact O-N 3.08Å
173L98.5Very high98.3Very high2 Ų243.6 Ų43.61%0.0121%0.205CC..THydrogen-bonded Turntrans-92.23.6-178.6-84.962.8000113.7I102 L113 E116 L117 L149 I169 L175I102-L173 HydrophobicContact CD1-CD2 3.66Å; L113-L173 HydrophobicContact CD2-CB 3.88Å; L113-L173 HydrophobicContact CD2-CD2 4.19Å; L113-L173 HydrophobicContact CD2-CG 3.98Å; L113-L173 WeakPolarHBondContact CD2-O 3.44Å; E116-L173 HydrophobicContact CB-CD1 4.12Å; L117-L173 HydrophobicContact CB-CD1 4.04Å; L117-L173 HydrophobicContact CB-CD2 4.3Å; L117-L173 HydrophobicContact CD1-CD1 4.02Å; L117-L173 HydrophobicContact CD1-CD2 4.25Å; L149-L173 HydrophobicContact CD2-CD2 4.33Å; I169-L173 HydrophobicContact CG2-CD2 4.34Å; I169-L173 WeakPolarHBondContact O-CB 3.5Å; I169-L173 PolarHBondContact O-N 3.07Å; L173-L175 VanDerWaalsContact C-N 3.28Å; L173-L175 HydrophobicContact CB-CD1 4.04Å; L173-L175 HydrophobicContact CB-CD2 3.86Å; L173-L175 HydrophobicContact CB-CG 3.61Å; L173-L175 HydrophobicContact CD2-CD1 4.28Å; L173-L175 PolarHBondContact O-N 2.64Å
174E98.3Very high98.3Very high151 Ų15142.6 Ų42.671%0.70620%0.2SC*.THydrogen-bonded Turntrans52.144.8-176.8-55.6-174172.800112.6K170 E171K170-E174 WeakPolarHBondContact O-CA 3.47Å; K170-E174 PolarHBondContact O-N 2.9Å; K170-E174 VanDerWaalsContact O-N 3.09Å; E171-E174 PolarHBondContact O-N 2.85Å
175L98.1Very high98.2Very high17 Ų1744.7 Ų44.79%0.08921%0.214CC..  trans-84.3119.7-175-57.8-179.9000112.1I102 L113 I169 K170 L173 I179I102-L175 HydrophobicContact CB-CD1 4.48Å; I102-L175 HydrophobicContact CD1-CD1 3.95Å; I102-L175 HydrophobicContact CG1-CD1 3.82Å; I102-L175 HydrophobicContact CG2-CD1 3.83Å; I102-L175 HydrophobicContact CG2-CD2 4.05Å; L113-L175 HydrophobicContact CD2-CD2 4.09Å; I169-L175 HydrophobicContact CG2-CD1 4.3Å; K170-L175 HydrophobicContact CB-CB 4.21Å; K170-L175 WeakPolarHBondContact CE-O 3.15Å; K170-L175 HydrophobicContact CG-CB 4.16Å; K170-L175 HydrophobicContact CG-CD1 4.37Å; K170-L175 PolarHBondContact O-N 2.9Å; L173-L175 VanDerWaalsContact C-N 3.28Å; L173-L175 HydrophobicContact CB-CD1 4.04Å; L173-L175 HydrophobicContact CB-CD2 3.86Å; L173-L175 HydrophobicContact CB-CG 3.61Å; L173-L175 HydrophobicContact CD2-CD1 4.28Å; L173-L175 PolarHBondContact O-N 2.64Å; L175-I179 HydrophobicContact CD1-CG2 3.74Å
176E96.6Very high98.1Very high140 Ų14048.3 Ų48.365%0.65423%0.233SC*.  trans-83-46171.6-64.9176.1-162.600111.8R107R107-E176 IonicContact CZ-OE1 3.51Å; R107-E176 IonicContact CZ-OE2 2.69Å; R107-E176 VanDerWaalsContact NH1-CD 3.35Å; R107-E176 IonicContact NH1-OE1 2.93Å; R107-E176 PolarHBondContact NH1-OE1 3.36Å; R107-E176 IonicContact NH1-OE2 3.6Å; R107-E176 PolarHBondContact NH1-OE2 3.07Å; R107-E176 IonicContact NH2-OE2 3.14Å; R107-E176 PolarHBondContact NH2-OE2 2.88Å
177D95.9Very high97.9Very high80 Ų8048.6 Ų48.643%0.42824%0.235SC..SBendtrans-68.6155.9-174-6616.8000112.4T105 R107 K170 I179T105-D177 WeakPolarHBondContact CG2-OD2 3.47Å; R107-D177 IonicContact NH2-OD1 2.82Å; K170-D177 WeakPolarHBondContact CE-O 3.48Å; K170-D177 PolarHBondContact NZ-O 2.91Å; D177-I179 PolarHBondContact O-N 2.89Å
178T97.7Very high97.7Very high60 Ų6048.2 Ų48.237%0.36823%0.233SC..PPolyproline II helixtrans-61.8133.7175.2-57.10000111.4Y180 E202 I203T178-Y180 HydrophobicContact CG2-CD1 4.34Å; T178-Y180 HydrophobicContact CG2-CE1 3.85Å; T178-Y180 HydrophobicContact CG2-CE2 4.49Å; T178-Y180 VanDerWaalsContact O-CE2 3.27Å; T178-Y180 WeakPolarHBondContact O-CE2 3.07Å; T178-E202 HydrophobicContact CG2-CB 3.88Å; T178-I203 CarbonylContact C-O 3.53Å; T178-I203 VanDerWaalsContact CA-O 3.26Å; T178-I203 WeakPolarHBondContact CA-O 3.49Å
179I98.3Very high97.4Very high3 Ų351.5 Ų51.52%0.01526%0.259CS..PPolyproline II helixtrans-103.1151168.664.9168.8000110W100 L101 I102 K170 L175 D177 E202 I203W100-I179 HydrophobicContact CD2-CD1 3.86Å; W100-I179 HydrophobicContact CD2-CG1 4.38Å; W100-I179 HydrophobicContact CE3-CB 4.15Å; W100-I179 HydrophobicContact CE3-CD1 3.54Å; W100-I179 HydrophobicContact CE3-CG1 3.56Å; W100-I179 HydrophobicContact CG-CD1 4.31Å; W100-I179 HydrophobicContact CZ3-CD1 4.03Å; W100-I179 HydrophobicContact CZ3-CG1 3.71Å; W100-I179 WeakPolarHBondContact CZ3-O 3.43Å; L101-I179 WeakPolarHBondContact O-CA 3.39Å; I102-I179 HydrophobicContact CB-CG2 4.46Å; I102-I179 HydrophobicContact CG1-CG2 3.84Å; K170-I179 HydrophobicContact CD-CD1 4.28Å; K170-I179 HydrophobicContact CD-CG1 4.09Å; K170-I179 HydrophobicContact CG-CD1 3.76Å; K170-I179 HydrophobicContact CG-CG1 4.08Å; K170-I179 HydrophobicContact CG-CG2 4.34Å; L175-I179 HydrophobicContact CD1-CG2 3.74Å; D177-I179 PolarHBondContact O-N 2.89Å; I179-E202 WeakPolarHBondContact O-CA 3.36Å; I179-I203 HydrophobicContact CD1-CD1 4.15Å; I179-I203 HydrophobicContact CD1-CG1 4.04Å; I179-I203 HydrophobicContact CG1-CD1 4.33Å; I179-I203 HydrophobicContact CG1-CG1 3.67Å; I179-I203 PolarHBondContact N-O 2.88Å; I179-I203 PolarHBondContact O-N 3.31Å
180Y98.4Very high97Very high34 Ų3454.4 Ų54.413%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-122122.1-169.1-54.5-87.6000110.9L101 T178 C197 E202L101-Y180 WeakPolarHBondContact CB-O 3.15Å; L101-Y180 PolarHBondContact N-O 3.41Å; L101-Y180 PolarHBondContact O-N 2.87Å; L101-Y180 VanDerWaalsContact O-N 3.09Å; T178-Y180 HydrophobicContact CG2-CD1 4.34Å; T178-Y180 HydrophobicContact CG2-CE1 3.85Å; T178-Y180 HydrophobicContact CG2-CE2 4.49Å; T178-Y180 VanDerWaalsContact O-CE2 3.27Å; T178-Y180 WeakPolarHBondContact O-CE2 3.07Å; Y180-C197 VanDerWaalsContact CE1-C 3.43Å; Y180-E202 HydrophobicContact CD1-CG 3.82Å; Y180-E202 HydrophobicContact CE1-CG 4.31Å
181F98.7Very high96.5Very high0 Ų058 Ų580%030%0.298CS..EExtended strand (participates in β ladder)trans-84.6120.2172.3-171.6-99.7000110.5R99 W100 L153 D156 I162 G199 K200 Y201R99-F181 CarbonylContact O-C 3.46Å; R99-F181 VanDerWaalsContact O-CA 3.26Å; R99-F181 WeakPolarHBondContact O-CA 3.32Å; W100-F181 HydrophobicContact CD2-CB 3.99Å; W100-F181 HydrophobicContact CD2-CD2 4Å; W100-F181 HydrophobicContact CD2-CG 4.49Å; W100-F181 AromaticContact CE2-CD2 3.96Å; W100-F181 HydrophobicContact CE3-CB 3.78Å; W100-F181 HydrophobicContact CG-CD2 4.08Å; W100-F181 HydrophobicContact CH2-CB 3.81Å; W100-F181 HydrophobicContact CZ2-CB 4Å; W100-F181 HydrophobicContact CZ3-CB 3.68Å; W100-F181 VanDerWaalsContact CZ3-N 3.31Å; W100-F181 AromaticContact NE1-CD2 3.99Å; L153-F181 HydrophobicContact CB-CE2 4.25Å; L153-F181 HydrophobicContact CD1-CD2 4.46Å; L153-F181 HydrophobicContact CD1-CE2 3.76Å; L153-F181 HydrophobicContact CG-CE2 4.13Å; D156-F181 HydrophobicContact CB-CE1 4.01Å; D156-F181 HydrophobicContact CB-CZ 4.43Å; I162-F181 HydrophobicContact CD1-CE1 4.04Å; I162-F181 HydrophobicContact CD1-CZ 3.9Å; I162-F181 HydrophobicContact CG1-CZ 4.37Å; I162-F181 HydrophobicContact CG2-CB 4.44Å; I162-F181 HydrophobicContact CG2-CD1 4.09Å; I162-F181 HydrophobicContact CG2-CD2 3.56Å; I162-F181 HydrophobicContact CG2-CE1 4.22Å; I162-F181 HydrophobicContact CG2-CE2 3.74Å; I162-F181 HydrophobicContact CG2-CG 3.75Å; I162-F181 HydrophobicContact CG2-CZ 4.05Å; F181-G199 CarbonylContact O-C 3.45Å; F181-G199 WeakPolarHBondContact O-CA 3.45Å; F181-K200 HydrophobicContact CD1-CB 4.39Å; F181-K200 PolarHBondContact O-N 3.38Å; F181-Y201 HydrophobicContact CB-CD2 3.94Å; F181-Y201 HydrophobicContact CB-CG 4.41Å; F181-Y201 AromaticContact CD1-CD2 3.53Å; F181-Y201 HydrophobicContact CD1-CD2 3.53Å; F181-Y201 AromaticContact CD1-CE2 3.93Å; F181-Y201 HydrophobicContact CD1-CE2 3.93Å; F181-Y201 HydrophobicContact CE1-CD2 4.29Å; F181-Y201 HydrophobicContact CE1-CE2 4.27Å; F181-Y201 AromaticContact CG-CD2 3.89Å; F181-Y201 HydrophobicContact CG-CD2 3.89Å; F181-Y201 PolarHBondContact N-O 3.27Å
182Q98.2Very high95.8Very high7 Ų764.4 Ų64.43%0.03332%0.317CS..EExtended strand (participates in β ladder)trans-120.8112.3-176.7-53.8-163.9-56.600111G98 R99 Q187 T198G98-Q182 CarbonylContact C-O 3.56Å; G98-Q182 WeakPolarHBondContact CA-O 3.2Å; R99-Q182 HydrophobicContact CG-CB 4.38Å; R99-Q182 PolarHBondContact N-O 3.19Å; R99-Q182 PolarHBondContact O-N 3.41Å; Q182-Q187 HydrophobicContact CB-CG 3.93Å; Q182-Q187 PolarHBondContact O-NE2 3.1Å; Q182-T198 PolarHBondContact NE2-O 2.87Å
183P98.3Very high94.8Very high6 Ų663.6 Ų63.64%0.03933%0.331CS..EExtended strand (participates in β ladder)trans-51.4151.7168.5-26.834.6000112.5D156 S185 D186 Q187 K200D156-P183 HydrophobicContact CB-CB 4.08Å; D156-P183 HydrophobicContact CB-CG 4.18Å; P183-S185 PolarHBondContact O-N 3.43Å; P183-D186 WeakPolarHBondContact CD-OD2 3.31Å; P183-D186 PolarHBondContact O-N 3.19Å; P183-D186 VanDerWaalsContact O-N 3.1Å; P183-Q187 WeakPolarHBondContact O-CG 3.39Å; P183-Q187 PolarHBondContact O-N 3.41Å; P183-K200 HydrophobicContact CG-CB 4.07Å; P183-K200 HydrophobicContact CG-CD 3.83Å
184V98.1Very high94Very high4 Ų466.1 Ų66.12%0.02435%0.348CS..Hα-helixtrans-59.5-33.6178.1165.20000112.3W89 N94 G97 D186 Q187 R188W89-V184 HydrophobicContact CB-CG1 3.84Å; W89-V184 HydrophobicContact CD2-CG1 4.35Å; W89-V184 HydrophobicContact CG-CG1 3.78Å; W89-V184 HydrophobicContact CG-CG2 4.42Å; N94-V184 VanDerWaalsContact O-CG2 3.29Å; N94-V184 WeakPolarHBondContact O-CG2 3.28Å; G97-V184 PolarHBondContact O-N 3.07Å; V184-D186 VanDerWaalsContact C-N 3.34Å; V184-D186 PolarHBondContact O-N 3.26Å; V184-Q187 PolarHBondContact O-N 3.08Å; V184-R188 HydrophobicContact CG1-CG 4.23Å; V184-R188 WeakPolarHBondContact O-CB 3.48Å; V184-R188 WeakPolarHBondContact O-CG 3.36Å; V184-R188 PolarHBondContact O-N 3.38Å
185S96.8Very high92.9Very high73 Ų7365.3 Ų65.351%0.5135%0.349SS..Hα-helixtrans-57.8-42.9173.750.10000112.8P183 S189P183-S185 PolarHBondContact O-N 3.43Å; S185-S189 PolarHBondContact O-N 3.1Å; S185-S189 PolarHBondContact O-OG 2.79Å; S185-S189 VanDerWaalsContact O-OG 3.07Å
186D96.2Very high91.9Very high76 Ų7664.9 Ų64.941%0.40635%0.347SS..Hα-helixtrans-71.4-39.5177.7-67-15.2000111.2P183 V184 R188 S189 Q190P183-D186 WeakPolarHBondContact CD-OD2 3.31Å; P183-D186 PolarHBondContact O-N 3.19Å; P183-D186 VanDerWaalsContact O-N 3.1Å; V184-D186 VanDerWaalsContact C-N 3.34Å; V184-D186 PolarHBondContact O-N 3.26Å; D186-R188 PolarHBondContact O-N 3.39Å; D186-S189 PolarHBondContact O-N 2.81Å; D186-S189 PolarHBondContact O-OG 3.48Å; D186-S189 VanDerWaalsContact O-OG 3.1Å; D186-Q190 WeakPolarHBondContact O-CB 3.46Å; D186-Q190 PolarHBondContact O-N 3.24Å; D186-Q190 VanDerWaalsContact O-N 3.08Å
187Q95.8Very high91.1Very high7 Ų762.4 Ų62.43%0.03334%0.344CS..Hα-helixtrans-63.8-39.7176.1-63178.156.100112.4W89 R99 Q182 P183 V184 Q190W89-Q187 HydrophobicContact CH2-CB 4.17Å; W89-Q187 HydrophobicContact CZ2-CB 3.5Å; W89-Q187 VanDerWaalsContact CZ2-CB 3.5Å; W89-Q187 VanDerWaalsContact NE1-OE1 3.09Å; R99-Q187 VanDerWaalsContact CD-CD 3.5Å; R99-Q187 VanDerWaalsContact CD-OE1 3.26Å; Q182-Q187 HydrophobicContact CB-CG 3.93Å; Q182-Q187 PolarHBondContact O-NE2 3.1Å; P183-Q187 WeakPolarHBondContact O-CG 3.39Å; P183-Q187 PolarHBondContact O-N 3.41Å; V184-Q187 PolarHBondContact O-N 3.08Å; Q187-Q190 WeakPolarHBondContact O-CB 3.35Å; Q187-Q190 PolarHBondContact O-N 3.24Å
188R93.6Very high91Very high117 Ų11763 Ų6344%0.44235%0.35SS..Hα-helixtrans-66.8-36.5177.4-77.3-179.8-176.6-82.66.9112.7W89 E90 V184 D186 Q190W89-R188 HydrophobicContact CD2-CG 4.04Å; W89-R188 HydrophobicContact CE3-CG 3.43Å; W89-R188 VanDerWaalsContact CE3-CG 3.43Å; W89-R188 HydrophobicContact CH2-CG 4.31Å; W89-R188 HydrophobicContact CZ3-CB 4.29Å; W89-R188 HydrophobicContact CZ3-CG 3.56Å; W89-R188 PolarHBondContact O-NH2 2.9Å; E90-R188 IonicContact OE1-CZ 3.62Å; E90-R188 VanDerWaalsContact OE1-CZ 3.27Å; E90-R188 IonicContact OE1-NH1 2.72Å; E90-R188 PolarHBondContact OE1-NH1 3.47Å; E90-R188 IonicContact OE1-NH2 3.87Å; E90-R188 PolarHBondContact OE1-NH2 3.46Å; V184-R188 HydrophobicContact CG1-CG 4.23Å; V184-R188 WeakPolarHBondContact O-CB 3.48Å; V184-R188 WeakPolarHBondContact O-CG 3.36Å; V184-R188 PolarHBondContact O-N 3.38Å; D186-R188 PolarHBondContact O-N 3.39Å; R188-Q190 VanDerWaalsContact C-N 3.32Å
189S92.5Very high90.9Very high88 Ų8860.9 Ų60.962%0.61534%0.34SS*.Hα-helixtrans-83.1-10.1179.860.10000113.5S185 D186 T191S185-S189 PolarHBondContact O-N 3.1Å; S185-S189 PolarHBondContact O-OG 2.79Å; S185-S189 VanDerWaalsContact O-OG 3.07Å; D186-S189 PolarHBondContact O-N 2.81Å; D186-S189 PolarHBondContact O-OG 3.48Å; D186-S189 VanDerWaalsContact O-OG 3.1Å; S189-T191 PolarHBondContact O-N 2.97Å
190Q91Very high90.9Very high61 Ų6165 Ų6529%0.28536%0.358SS..PPolyproline II helixtrans-66.2125.7-178.1-175.4164.371.900112.8D186 Q187 R188 I196D186-Q190 WeakPolarHBondContact O-CB 3.46Å; D186-Q190 PolarHBondContact O-N 3.24Å; D186-Q190 VanDerWaalsContact O-N 3.08Å; Q187-Q190 WeakPolarHBondContact O-CB 3.35Å; Q187-Q190 PolarHBondContact O-N 3.24Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; Q190-I196 VanDerWaalsContact CD-CD1 3.43Å
191T88.1Confident90.9Very high108 Ų10864.9 Ų64.966%0.66336%0.358SS*.PPolyproline II helixtrans-74.6130.4177-60.80000111S189 G193 S194S189-T191 PolarHBondContact O-N 2.97Å; T191-G193 PolarHBondContact O-N 3.27Å; T191-S194 PolarHBondContact O-N 3.33Å; T191-S194 PolarHBondContact O-OG 3.5Å
192R83.7Confident90.8Very high248 Ų24869.1 Ų69.194%0.93638%0.378SS*.THydrogen-bonded Turntrans-58.9126.7177.8-68-18069.5-179.13.5111
193G78.6Confident90.8Very high54 Ų5471.6 Ų71.656%0.55739%0.391SS*.THydrogen-bonded Turntrans94-1.3176.100000115.2R145 T191R145-G193 PolarHBondContact NH1-O 3.24Å; T191-G193 PolarHBondContact O-N 3.27Å
194S80.3Confident90.4Very high54 Ų5474.9 Ų74.938%0.37841%0.408SS..  trans-72.3140.2166.563.80000110.7T191T191-S194 PolarHBondContact O-N 3.33Å; T191-S194 PolarHBondContact O-OG 3.5Å
195D76.5Confident90Very high134 Ų13478.6 Ų78.672%0.71743%0.428SS*.  trans-68.3133.1169.2-63.7-37.4000109.1
196I77.3Confident89.6Confident9 Ų978.9 Ų78.95%0.04642%0.424CS..  trans-98.7107.7-176.8-47-176.8000107.9L101 N103 Q190L101-I196 HydrophobicContact CD2-CB 3.75Å; L101-I196 HydrophobicContact CD2-CD1 3.64Å; L101-I196 HydrophobicContact CD2-CG1 4.29Å; L101-I196 HydrophobicContact CD2-CG2 3.45Å; L101-I196 VanDerWaalsContact CD2-CG2 3.45Å; N103-I196 PolarHBondContact ND2-O 3.12Å; N103-I196 VanDerWaalsContact ND2-O 3.17Å; Q190-I196 VanDerWaalsContact CD-CD1 3.43Å
197C80Confident89.2Confident87 Ų8779.1 Ų79.159%0.58843%0.425SS*.  trans-133.326.7-176.8-560000112.2Y180Y180-C197 VanDerWaalsContact CE1-C 3.43Å
198T92.9Very high88.8Confident92 Ų9283.6 Ų83.656%0.56445%0.449SS*.  trans-153.1150.5176.5-171.10000112.3Q182 E202Q182-T198 PolarHBondContact NE2-O 2.87Å; T198-E202 VanDerWaalsContact CA-OE1 3.26Å; T198-E202 WeakPolarHBondContact CA-OE1 3.34Å; T198-E202 PolarHBondContact OG1-OE1 3.38Å
199G95.6Very high88.5Confident16 Ų1681.4 Ų81.417%0.16545%0.45CS..  trans-148.1168.1171.700000112.3F181 Y201 E202F181-G199 CarbonylContact O-C 3.45Å; F181-G199 WeakPolarHBondContact O-CA 3.45Å; G199-Y201 PolarHBondContact O-N 3.22Å; G199-E202 PolarHBondContact N-OE1 3.17Å
200K97.6Very high88.2Confident90 Ų9080.9 Ų80.939%0.39144%0.438SS..SBendtrans-59.5-37.1171.2-179178.9-176.4179.30111.3D156 F181 P183D156-K200 WeakPolarHBondContact O-CE 3.4Å; D156-K200 PolarHBondContact O-NZ 3.27Å; D156-K200 IonicContact OD1-NZ 3.97Å; D156-K200 PolarHBondContact OD1-NZ 3.41Å; F181-K200 HydrophobicContact CD1-CB 4.39Å; F181-K200 PolarHBondContact O-N 3.38Å; P183-K200 HydrophobicContact CG-CB 4.07Å; P183-K200 HydrophobicContact CG-CD 3.83Å
201Y98.3Very high88Confident31 Ų3182.5 Ų82.512%0.12245%0.45CS..EExtended strand (participates in β ladder)trans-129.4145.9172-47.8-62000109.7E159 I162 L163 F181 G199E159-Y201 HydrophobicContact CB-CE1 4.25Å; E159-Y201 HydrophobicContact CG-CD1 4.38Å; E159-Y201 HydrophobicContact CG-CE1 3.72Å; I162-Y201 HydrophobicContact CB-CD2 4.45Å; I162-Y201 HydrophobicContact CB-CE2 4.37Å; I162-Y201 HydrophobicContact CD1-CE2 4Å; I162-Y201 HydrophobicContact CG2-CD2 3.66Å; I162-Y201 HydrophobicContact CG2-CE2 3.99Å; L163-Y201 HydrophobicContact CD2-CG 4.4Å; F181-Y201 HydrophobicContact CB-CD2 3.94Å; F181-Y201 HydrophobicContact CB-CG 4.41Å; F181-Y201 AromaticContact CD1-CD2 3.53Å; F181-Y201 HydrophobicContact CD1-CD2 3.53Å; F181-Y201 AromaticContact CD1-CE2 3.93Å; F181-Y201 HydrophobicContact CD1-CE2 3.93Å; F181-Y201 HydrophobicContact CE1-CD2 4.29Å; F181-Y201 HydrophobicContact CE1-CE2 4.27Å; F181-Y201 AromaticContact CG-CD2 3.89Å; F181-Y201 HydrophobicContact CG-CD2 3.89Å; F181-Y201 PolarHBondContact N-O 3.27Å; G199-Y201 PolarHBondContact O-N 3.22Å
202E98.1Very high88Confident90 Ų9080.3 Ų80.342%0.42143%0.432SS..EExtended strand (participates in β ladder)trans-142.1130.9-176.1-58.5-174.9-175.400109.5T178 I179 Y180 T198 G199T178-E202 HydrophobicContact CG2-CB 3.88Å; I179-E202 WeakPolarHBondContact O-CA 3.36Å; Y180-E202 HydrophobicContact CD1-CG 3.82Å; Y180-E202 HydrophobicContact CE1-CG 4.31Å; T198-E202 VanDerWaalsContact CA-OE1 3.26Å; T198-E202 WeakPolarHBondContact CA-OE1 3.34Å; T198-E202 PolarHBondContact OG1-OE1 3.38Å; G199-E202 PolarHBondContact N-OE1 3.17Å
203I97.4Very high88.4Confident59 Ų5965.1 Ų65.130%0.30339%0.386SS..  trans-147.10-179.557.3174.4000112.6W100 L163 R167 K170 T178 I179W100-I203 HydrophobicContact CH2-CD1 3.91Å; W100-I203 HydrophobicContact CH2-CG1 3.77Å; W100-I203 HydrophobicContact CZ2-CD1 4.12Å; W100-I203 HydrophobicContact CZ2-CG1 4.47Å; W100-I203 HydrophobicContact CZ3-CD1 4.44Å; W100-I203 HydrophobicContact CZ3-CG1 3.99Å; L163-I203 HydrophobicContact CD2-CG2 3.78Å; R167-I203 HydrophobicContact CG-CD1 3.96Å; R167-I203 VanDerWaalsContact N-CD1 3.31Å; K170-I203 HydrophobicContact CD-CD1 4.47Å; K170-I203 HydrophobicContact CD-CG1 4.12Å; K170-I203 PolarHBondContact NZ-O 2.9Å; K170-I203 PolarHBondContact NZ-OXT 3.1Å; T178-I203 CarbonylContact C-O 3.53Å; T178-I203 VanDerWaalsContact CA-O 3.26Å; T178-I203 WeakPolarHBondContact CA-O 3.49Å; I179-I203 HydrophobicContact CD1-CD1 4.15Å; I179-I203 HydrophobicContact CD1-CG1 4.04Å; I179-I203 HydrophobicContact CG1-CD1 4.33Å; I179-I203 HydrophobicContact CG1-CG1 3.67Å; I179-I203 PolarHBondContact N-O 2.88Å; I179-I203 PolarHBondContact O-N 3.31Å

Retrieved 203 of 203 residues in 47 ms (Link to these results)

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