A0A087WP62_MOUSE Loading...

Phosphoinositide-3-kinase regulatory subunit 4

AlphaFold DB , UniProt , Accession A0A087WP62, Species MOUSE (Mus musculus, Mouse), Gene Pik3r4, Length 174 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
1M37.7Very low46.8Very low153 Ų153101.5 Ų101.575%0.75465%0.645SS**  057.10-60-178.7-165.500112N3 Y174M1-N3 VanDerWaalsContact C-N 3.27Å; M1-N3 PolarHBondContact O-N 3.08Å; M1-Y174 HydrophobicContact CE-CE2 3.97Å; M1-Y174 VanDerWaalsContact CE-OH 3.24Å; M1-Y174 WeakPolarHBondContact CE-OH 3.32Å; M1-Y174 HydrophobicContact CG-CE2 4.49Å
2G33.5Very low48.3Very low59 Ų59105.1 Ų105.161%0.60865%0.648SS**THydrogen-bonded Turntrans-80.30.2-179.400000115.5
3N39.1Very low50Low136 Ų136108.5 Ų108.573%0.72766%0.657SS**THydrogen-bonded Turntrans-105.1-4.2-170.4-81.9-2.5000115M1 A6M1-N3 VanDerWaalsContact C-N 3.27Å; M1-N3 PolarHBondContact O-N 3.08Å; N3-A6 VanDerWaalsContact O-CB 3.31Å; N3-A6 WeakPolarHBondContact O-CB 3.24Å
4Q43.4Very low52.3Low167 Ų167105.1 Ų105.178%0.7863%0.633SS**G310 helixtrans-83.8-16-177.9-76.8-176.3-11.200114.2A6Q4-A6 PolarHBondContact O-N 2.65Å
5L50.3Low54.5Low81 Ų81102.5 Ų102.542%0.42462%0.621SS.*G310 helixtrans-82.711.5174.2-65.8169.8000113F37 L62L5-F37 HydrophobicContact CB-CE1 4.14Å; L5-F37 HydrophobicContact CD1-CE1 4.16Å; L5-L62 HydrophobicContact CD2-CD1 4.04Å; L5-L62 HydrophobicContact CD2-CD2 3.74Å; L5-L62 HydrophobicContact CD2-CG 4.47Å
6A46.8Very low56.4Low53 Ų5396.9 Ų96.944%0.43859%0.587SS.*G310 helixtrans-93.1-0.8-166.800000115.7N3 Q4N3-A6 VanDerWaalsContact O-CB 3.31Å; N3-A6 WeakPolarHBondContact O-CB 3.24Å; Q4-A6 PolarHBondContact O-N 2.65Å
7G46.5Very low58.3Low72 Ų7297.8 Ų97.874%0.74258%0.584SS**SBendtrans-94.6-24.1-161.900000117.6
8I52.8Low60Low119 Ų11994.7 Ų94.761%0.6157%0.568SS**  trans-124.6108.7-165.2-53177.6000109.6Q58I8-Q58 PolarHBondContact O-OE1 2.95Å
9A50.7Low61.5Low88 Ų8890.2 Ų90.273%0.72754%0.54SS*.  trans-63.8129.4165.900000108.2S11A9-S11 PolarHBondContact O-N 2.87Å
10P56.4Low62.8Low56 Ų5686.4 Ų86.436%0.36452%0.516SS..  trans-62.1135.9-179.623-28.6000109.6Q12 I13 Q58P10-Q12 PolarHBondContact O-N 3.28Å; P10-I13 HydrophobicContact CG-CG1 4.4Å; P10-Q58 HydrophobicContact CB-CG 4.27Å
11S57.4Low63.6Low132 Ų13286.1 Ų86.192%0.92352%0.518SS*.SBendtrans-62.3-22.4179.853.30000113.3A9A9-S11 PolarHBondContact O-N 2.87Å
12Q65.2Low65.4Low145 Ų14583 Ų8368%0.67851%0.505SS*.  trans-136.6129.4171.4-79.9179.2-19.400110.9P10 L14P10-Q12 PolarHBondContact O-N 3.28Å; Q12-L14 PolarHBondContact O-N 3.32Å
13I70.4Confident67.6Low149 Ų14981.3 Ų81.376%0.76448%0.481SS*.  trans-94.494.2171.1-56.5174.3000107.5P10P10-I13 HydrophobicContact CG-CG1 4.4Å
14L81.5Confident69.7Low62 Ų6283.3 Ų83.333%0.32549%0.486SS..  trans-72157.9175.8-67.4179.8000111.8Q12 S18 Y19 K39Q12-L14 PolarHBondContact O-N 3.32Å; L14-S18 WeakPolarHBondContact CB-OG 3.31Å; L14-Y19 HydrophobicContact CB-CE2 3.81Å; L14-Y19 HydrophobicContact CD1-CE1 3.98Å; L14-K39 PolarHBondContact O-NZ 2.87Å
15S85.1Confident71.9Confident65 Ų6578.9 Ų78.946%0.45547%0.468SS..  trans-73.5166.7169.770.50000109.7E17 S18 Y19S15-E17 VanDerWaalsContact C-N 3.27Å; S15-S18 PolarHBondContact N-OG 3.49Å; S15-S18 PolarHBondContact O-OG 3.05Å; S15-S18 PolarHBondContact OG-N 3.36Å; S15-S18 VanDerWaalsContact OG-N 3.17Å; S15-Y19 WeakPolarHBondContact O-CD2 3.45Å; S15-Y19 VanDerWaalsContact O-CE2 3.22Å; S15-Y19 WeakPolarHBondContact O-CE2 3.31Å
16V85.4Confident73.9Confident13 Ų1375.8 Ų75.88%0.07945%0.451CS..SBendtrans-69-32.617367.10000111.3Y19 F20 Y28 K39 A41 V54V16-Y19 PolarHBondContact O-N 2.8Å; V16-F20 HydrophobicContact CG2-CE2 4.37Å; V16-F20 VanDerWaalsContact O-CD2 3.3Å; V16-F20 WeakPolarHBondContact O-CD2 3.35Å; V16-Y28 HydrophobicContact CG1-CE2 3.7Å; V16-K39 HydrophobicContact CB-CB 4Å; V16-K39 HydrophobicContact CB-CD 4.39Å; V16-K39 HydrophobicContact CG2-CB 3.77Å; V16-A41 HydrophobicContact CG1-CB 4.28Å; V16-A41 HydrophobicContact CG2-CB 3.71Å; V16-V54 HydrophobicContact CG2-CG2 4.05Å
17E89.1Confident76.2Confident112 Ų11278.6 Ų78.652%0.52346%0.455SS..G310 helixtrans-64.4-38179.3178.4176.7-164.500112.8S15 Y19 F20 Y28S15-E17 VanDerWaalsContact C-N 3.27Å; E17-Y19 PolarHBondContact O-N 3.35Å; E17-F20 WeakPolarHBondContact O-CB 3.21Å; E17-F20 PolarHBondContact O-N 3.28Å; E17-Y28 HydrophobicContact CB-CD1 3.89Å; E17-Y28 HydrophobicContact CB-CD2 4.34Å; E17-Y28 HydrophobicContact CB-CE1 3.89Å; E17-Y28 HydrophobicContact CB-CE2 4.36Å; E17-Y28 HydrophobicContact CB-CG 4.1Å; E17-Y28 HydrophobicContact CG-CD1 3.61Å; E17-Y28 HydrophobicContact CG-CE1 3.99Å; E17-Y28 HydrophobicContact CG-CG 4.01Å
18S88.7Confident78.5Confident43 Ų4377.8 Ų77.830%0.30143%0.43SS..G310 helixtrans-61.6-20.6179.660.50000113.1L14 S15 F20L14-S18 WeakPolarHBondContact CB-OG 3.31Å; S15-S18 PolarHBondContact N-OG 3.49Å; S15-S18 PolarHBondContact O-OG 3.05Å; S15-S18 PolarHBondContact OG-N 3.36Å; S15-S18 VanDerWaalsContact OG-N 3.17Å; S18-F20 PolarHBondContact O-N 2.89Å
19Y87.9Confident80.6Confident8 Ų874.7 Ų74.73%0.03141%0.414CS..G310 helixtrans-78.5-1175.3-63-78.7000113.8L14 S15 V16 E17 K39 V54 K93 E96 A98L14-Y19 HydrophobicContact CB-CE2 3.81Å; L14-Y19 HydrophobicContact CD1-CE1 3.98Å; S15-Y19 WeakPolarHBondContact O-CD2 3.45Å; S15-Y19 VanDerWaalsContact O-CE2 3.22Å; S15-Y19 WeakPolarHBondContact O-CE2 3.31Å; V16-Y19 PolarHBondContact O-N 2.8Å; E17-Y19 PolarHBondContact O-N 3.35Å; Y19-K39 HydrophobicContact CE2-CD 4.31Å; Y19-V54 HydrophobicContact CD1-CG1 4.01Å; Y19-V54 HydrophobicContact CD2-CG1 3.78Å; Y19-V54 HydrophobicContact CE1-CG1 4.38Å; Y19-V54 HydrophobicContact CE2-CG1 4.16Å; Y19-V54 HydrophobicContact CG-CG1 3.68Å; Y19-K93 PolarHBondContact O-NZ 3.05Å; Y19-E96 VanDerWaalsContact CA-OE2 3.23Å; Y19-E96 WeakPolarHBondContact CA-OE2 3.34Å; Y19-E96 HydrophobicContact CD1-CB 4.18Å; Y19-E96 HydrophobicContact CE1-CB 4.47Å; Y19-A98 HydrophobicContact CD1-CB 3.58Å; Y19-A98 HydrophobicContact CE1-CB 3.66Å
20F87.4Confident82.7Confident15 Ų1574.7 Ų74.77%0.06640%0.398CS..G310 helixtrans-98.1-9.4179.2-74-98.6000114V16 E17 S18 D22 I23 F26 Y28 A41 A43 V52 M100V16-F20 HydrophobicContact CG2-CE2 4.37Å; V16-F20 VanDerWaalsContact O-CD2 3.3Å; V16-F20 WeakPolarHBondContact O-CD2 3.35Å; E17-F20 WeakPolarHBondContact O-CB 3.21Å; E17-F20 PolarHBondContact O-N 3.28Å; S18-F20 PolarHBondContact O-N 2.89Å; F20-D22 PolarHBondContact O-N 3.39Å; F20-D22 VanDerWaalsContact O-N 3.1Å; F20-I23 PolarHBondContact O-N 3.1Å; F20-I23 VanDerWaalsContact O-N 3.12Å; F20-F26 HydrophobicContact CD1-CB 4.47Å; F20-F26 HydrophobicContact CE1-CB 4.49Å; F20-Y28 AromaticContact CD2-CD2 4Å; F20-Y28 HydrophobicContact CD2-CD2 4Å; F20-Y28 HydrophobicContact CD2-CG 4.35Å; F20-Y28 AromaticContact CE2-CD2 3.79Å; F20-Y28 HydrophobicContact CE2-CD2 3.79Å; F20-Y28 HydrophobicContact CZ-CD2 4.27Å; F20-A41 HydrophobicContact CE2-CB 3.96Å; F20-A41 HydrophobicContact CZ-CB 3.93Å; F20-A43 HydrophobicContact CD1-CB 4.42Å; F20-A43 HydrophobicContact CE1-CB 3.5Å; F20-A43 VanDerWaalsContact CE1-CB 3.5Å; F20-A43 HydrophobicContact CZ-CB 4.05Å; F20-V52 HydrophobicContact CE1-CB 4.42Å; F20-V52 HydrophobicContact CE1-CG1 4.47Å; F20-V52 HydrophobicContact CE1-CG2 3.96Å; F20-V52 HydrophobicContact CZ-CB 3.85Å; F20-V52 HydrophobicContact CZ-CG1 3.98Å; F20-V52 HydrophobicContact CZ-CG2 3.85Å; F20-M100 HydrophobicContact CE1-CE 4.48Å; F20-M100 HydrophobicContact CE2-CE 4.44Å; F20-M100 HydrophobicContact CZ-CE 4.35Å
21S80.9Confident84.6Confident80 Ų8075.1 Ų75.156%0.55940%0.402SS*.THydrogen-bonded Turntrans-54.5-37-173.559.10000113.5E96S21-E96 PolarHBondContact OG-OE1 3.17Å
22D73.8Confident86.3Confident88 Ų8872.1 Ų72.147%0.47138%0.376SS..THydrogen-bonded Turntrans-102.618.1-174-53.3-8.7000113.3F20F20-D22 PolarHBondContact O-N 3.39Å; F20-D22 VanDerWaalsContact O-N 3.1Å
23I81.4Confident87.5Confident24 Ų2466.8 Ų66.812%0.12336%0.359CS..  trans-114.790.5-179.7-47.4-173.2000111.2F20 D25 F26 M100 F102F20-I23 PolarHBondContact O-N 3.1Å; F20-I23 VanDerWaalsContact O-N 3.12Å; I23-D25 VanDerWaalsContact C-N 3.26Å; I23-D25 PolarHBondContact O-N 2.99Å; I23-F26 HydrophobicContact CB-CB 4.48Å; I23-F26 HydrophobicContact CG2-CB 3.83Å; I23-F26 HydrophobicContact CG2-CD2 3.41Å; I23-F26 VanDerWaalsContact CG2-CD2 3.41Å; I23-F26 HydrophobicContact CG2-CE2 4.39Å; I23-F26 HydrophobicContact CG2-CG 4.05Å; I23-F26 PolarHBondContact O-N 3.28Å; I23-F26 VanDerWaalsContact O-O 3.1Å; I23-M100 HydrophobicContact CD1-CE 3.32Å; I23-M100 HydrophobicContact CD1-SD 3.49Å; I23-M100 WeakPolarHBondContact CD1-SD 3.24Å; I23-F102 HydrophobicContact CD1-CZ 4.04Å
24H81.9Confident88.2Confident177 Ų17764.3 Ų64.382%0.81936%0.355SS*.THydrogen-bonded Turntrans-64.3-24.5-174-59.8-51.7000115.4
25D89.8Confident88.3Confident74 Ų7465.5 Ų65.540%0.39637%0.365SS..THydrogen-bonded Turntrans-87-10.8-179.6-62.3-36.1000113.4I23 H45I23-D25 VanDerWaalsContact C-N 3.26Å; I23-D25 PolarHBondContact O-N 2.99Å; D25-H45 PolarHBondContact O-CD2 2.92Å; D25-H45 VanDerWaalsContact O-CD2 3.27Å
26F92.2Very high87.9Confident16 Ų1670.2 Ų70.27%0.0737%0.373CS..  trans-130.4117.4-171-63.9-91.8000112F20 I23 K44 H45 V50 F102F20-F26 HydrophobicContact CD1-CB 4.47Å; F20-F26 HydrophobicContact CE1-CB 4.49Å; I23-F26 HydrophobicContact CB-CB 4.48Å; I23-F26 HydrophobicContact CG2-CB 3.83Å; I23-F26 HydrophobicContact CG2-CD2 3.41Å; I23-F26 VanDerWaalsContact CG2-CD2 3.41Å; I23-F26 HydrophobicContact CG2-CE2 4.39Å; I23-F26 HydrophobicContact CG2-CG 4.05Å; I23-F26 PolarHBondContact O-N 3.28Å; I23-F26 VanDerWaalsContact O-O 3.1Å; F26-K44 WeakPolarHBondContact CA-O 3.32Å; F26-H45 HydrophobicContact CD1-CB 3.93Å; F26-H45 HydrophobicContact CE1-CB 3.76Å; F26-H45 AromaticContact CE1-CD2 3.67Å; F26-H45 AromaticContact CE1-CG 3.86Å; F26-H45 AromaticContact CE2-CD2 4Å; F26-H45 AromaticContact CZ-CD2 3.61Å; F26-V50 HydrophobicContact CD1-CG2 3.57Å; F26-V50 HydrophobicContact CE1-CB 4.41Å; F26-V50 HydrophobicContact CE1-CG1 4.09Å; F26-V50 HydrophobicContact CE1-CG2 3.69Å; F26-F102 AromaticContact CD1-CD1 4Å; F26-F102 HydrophobicContact CD1-CD1 4Å; F26-F102 HydrophobicContact CD1-CE1 4.13Å; F26-F102 HydrophobicContact CD2-CD1 4.49Å; F26-F102 HydrophobicContact CD2-CE1 4.09Å; F26-F102 AromaticContact CE1-CD1 3.73Å; F26-F102 HydrophobicContact CE1-CD1 3.73Å; F26-F102 HydrophobicContact CE1-CE1 4.23Å; F26-F102 HydrophobicContact CE2-CD1 4.25Å; F26-F102 HydrophobicContact CE2-CE1 4.19Å; F26-F102 HydrophobicContact CG-CD1 4.36Å; F26-F102 HydrophobicContact CG-CE1 4.04Å; F26-F102 AromaticContact CZ-CD1 3.86Å; F26-F102 HydrophobicContact CZ-CD1 3.86Å; F26-F102 HydrophobicContact CZ-CE1 4.25Å; F26-F102 HydrophobicContact CZ-CG 4.45Å
27E94.6Very high87.7Confident112 Ų11273.6 Ų73.652%0.52339%0.387SS..EExtended strand (participates in β ladder)trans-95.4125.2175.4-173.4-165.4135.100109.5A43 K44E27-A43 CarbonylContact O-C 3.44Å; E27-A43 WeakPolarHBondContact O-CA 3.47Å; E27-A43 VanDerWaalsContact O-CB 3.23Å; E27-A43 WeakPolarHBondContact O-CB 3.41Å; E27-K44 HydrophobicContact CB-CB 4.28Å; E27-K44 PolarHBondContact N-O 3.5Å; E27-K44 PolarHBondContact O-N 2.92Å; E27-K44 IonicContact OE1-NZ 2.75Å; E27-K44 PolarHBondContact OE1-NZ 2.96Å
28Y95.4Very high87.7Confident56 Ų5671 Ų7122%0.2237%0.374CS..EExtended strand (participates in β ladder)trans-58.6138.8173.6172.1-103.5000110.9V16 E17 F20 S31 A41V16-Y28 HydrophobicContact CG1-CE2 3.7Å; E17-Y28 HydrophobicContact CB-CD1 3.89Å; E17-Y28 HydrophobicContact CB-CD2 4.34Å; E17-Y28 HydrophobicContact CB-CE1 3.89Å; E17-Y28 HydrophobicContact CB-CE2 4.36Å; E17-Y28 HydrophobicContact CB-CG 4.1Å; E17-Y28 HydrophobicContact CG-CD1 3.61Å; E17-Y28 HydrophobicContact CG-CE1 3.99Å; E17-Y28 HydrophobicContact CG-CG 4.01Å; F20-Y28 AromaticContact CD2-CD2 4Å; F20-Y28 HydrophobicContact CD2-CD2 4Å; F20-Y28 HydrophobicContact CD2-CG 4.35Å; F20-Y28 AromaticContact CE2-CD2 3.79Å; F20-Y28 HydrophobicContact CE2-CD2 3.79Å; F20-Y28 HydrophobicContact CZ-CD2 4.27Å; Y28-S31 PolarHBondContact OH-N 3.16Å; Y28-A41 HydrophobicContact CD2-CB 4.02Å; Y28-A41 HydrophobicContact CE2-CB 3.86Å
29D96.4Very high87.9Confident53 Ų5371.3 Ų71.328%0.28337%0.37SS..EExtended strand (participates in β ladder)trans-120-57178173.559.2000111.9R42 K44D29-R42 WeakPolarHBondContact CB-O 3.03Å; D29-R42 PolarHBondContact N-O 2.9Å; D29-R42 IonicContact OD2-CZ 2.61Å; D29-R42 IonicContact OD2-NE 3.04Å; D29-R42 PolarHBondContact OD2-NE 2.7Å; D29-R42 IonicContact OD2-NH2 2.78Å; D29-R42 PolarHBondContact OD2-NH2 3.3Å; D29-K44 HydrophobicContact CB-CG 4.41Å
30K96.2Very high88.2Confident89 Ų8971.9 Ų71.939%0.38737%0.374SS..EExtended strand (participates in β ladder)trans-159.1156.3175.465.9176-171.61750113.5L32 A41 R42K30-L32 HydrophobicContact CG-CD2 4.31Å; K30-A41 CarbonylContact O-C 3.51Å; K30-A41 WeakPolarHBondContact O-CA 3.47Å; K30-R42 HydrophobicContact CG-CB 4.08Å; K30-R42 PolarHBondContact N-O 2.82Å; K30-R42 PolarHBondContact O-N 3.18Å
31S95.9Very high88.6Confident65 Ų6571.2 Ų71.246%0.45537%0.371SS..EExtended strand (participates in β ladder)trans-68.5136.6167.2-174.90000110.5Y28 G33Y28-S31 PolarHBondContact OH-N 3.16Å; S31-G33 PolarHBondContact OG-N 3.33Å
32L92.8Very high89.4Confident69 Ų6969.5 Ų69.536%0.36135%0.352SS..EExtended strand (participates in β ladder)trans-105.9-2.9172.5-62.7-179.6000112.1K30 V40 R42 V51 Y105K30-L32 HydrophobicContact CG-CD2 4.31Å; L32-V40 HydrophobicContact CB-CB 4.31Å; L32-V40 HydrophobicContact CB-CG1 4.06Å; L32-V40 HydrophobicContact CD1-CG1 4.36Å; L32-V40 PolarHBondContact N-O 2.73Å; L32-R42 HydrophobicContact CD1-CB 3.98Å; L32-R42 HydrophobicContact CD2-CB 4.13Å; L32-R42 HydrophobicContact CG-CB 4.05Å; L32-V51 HydrophobicContact CD1-CG2 4.09Å; L32-Y105 HydrophobicContact CD1-CD2 4.26Å; L32-Y105 HydrophobicContact CD1-CE2 4.09Å; L32-Y105 HydrophobicContact CD2-CE2 4.45Å
33G89.9Confident90.5Very high32 Ų3265.3 Ų65.333%0.3333%0.33SS..EExtended strand (participates in β ladder)trans133.8177.4177.300000113S31 V40S31-G33 PolarHBondContact OG-N 3.33Å; G33-V40 PolarHBondContact N-O 3.48Å; G33-V40 PolarHBondContact O-N 3.26Å
34S85.8Confident91.2Very high98 Ų9868.1 Ų68.169%0.68534%0.342SS*.EExtended strand (participates in β ladder)trans-136.3147175.5550000109.9F38S34-F38 CarbonylContact C-O 3.56Å; S34-F38 WeakPolarHBondContact CA-O 3.49Å
35T82.6Confident91.9Very high87 Ų8762 Ų6253%0.53431%0.313SS..  trans-118.6179.1169.564.50000107.9F37 F38T35-F37 PolarHBondContact O-N 3.06Å; T35-F37 VanDerWaalsContact O-N 3.16Å; T35-F37 PolarHBondContact OG1-N 3Å; T35-F38 PolarHBondContact N-O 3.22Å; T35-F38 PolarHBondContact OG1-N 3.36Å; T35-F38 PolarHBondContact OG1-O 3.42Å
36R77.9Confident92Very high164 Ų16469.1 Ų69.162%0.61934%0.335SS*.SBendtrans-53.7-34.3173.9-174.7179.7-173.2-172.35.6113.3
37F80Confident92Very high84 Ų8476.9 Ų76.937%0.36837%0.371SS..SBendtrans-109.1-37.3-171.9-56.4-66.8000113.1L5 T35 F55L5-F37 HydrophobicContact CB-CE1 4.14Å; L5-F37 HydrophobicContact CD1-CE1 4.16Å; T35-F37 PolarHBondContact O-N 3.06Å; T35-F37 VanDerWaalsContact O-N 3.16Å; T35-F37 PolarHBondContact OG1-N 3Å; F37-F55 HydrophobicContact CB-CD2 4.37Å; F37-F55 HydrophobicContact CB-CE2 4.31Å; F37-F55 WeakPolarHBondContact O-CD2 3.44Å
38F89.6Confident92.1Very high58 Ų5873.3 Ų73.325%0.25436%0.364SS..EExtended strand (participates in β ladder)trans-115.4140.3-173.6-68-77.5000112.6S34 T35 V40 K53 V54 F55 L101S34-F38 CarbonylContact C-O 3.56Å; S34-F38 WeakPolarHBondContact CA-O 3.49Å; T35-F38 PolarHBondContact N-O 3.22Å; T35-F38 PolarHBondContact OG1-N 3.36Å; T35-F38 PolarHBondContact OG1-O 3.42Å; F38-V40 HydrophobicContact CB-CG2 4.37Å; F38-K53 HydrophobicContact CD1-CB 3.83Å; F38-K53 HydrophobicContact CE1-CB 4.28Å; F38-K53 HydrophobicContact CG-CB 4.37Å; F38-K53 HydrophobicContact CG-CD 4.38Å; F38-V54 CarbonylContact C-O 3.39Å; F38-V54 VanDerWaalsContact CA-O 3.3Å; F38-V54 WeakPolarHBondContact CA-O 3.29Å; F38-F55 HydrophobicContact CD1-CB 3.96Å; F38-F55 HydrophobicContact CE1-CB 3.67Å; F38-F55 HydrophobicContact CE1-CD2 4.3Å; F38-F55 HydrophobicContact CE1-CG 4.39Å; F38-L101 HydrophobicContact CE1-CD1 4.47Å
39K92.7Very high92.1Very high48 Ų4873.9 Ų73.921%0.20937%0.371CS..EExtended strand (participates in β ladder)trans-94.9136.6155.4-57.9179.3-173.6169.70107.9L14 V16 Y19 V54L14-K39 PolarHBondContact O-NZ 2.87Å; V16-K39 HydrophobicContact CB-CB 4Å; V16-K39 HydrophobicContact CB-CD 4.39Å; V16-K39 HydrophobicContact CG2-CB 3.77Å; Y19-K39 HydrophobicContact CE2-CD 4.31Å; K39-V54 HydrophobicContact CB-CB 4.39Å; K39-V54 PolarHBondContact N-O 2.77Å; K39-V54 PolarHBondContact O-N 3.46Å
40V94.3Very high92.2Very high21 Ų2172.2 Ų72.213%0.12736%0.362CS..EExtended strand (participates in β ladder)trans-120130.4-175.9-167.70000108.8L32 G33 F38 V51 V52 K53L32-V40 HydrophobicContact CB-CB 4.31Å; L32-V40 HydrophobicContact CB-CG1 4.06Å; L32-V40 HydrophobicContact CD1-CG1 4.36Å; L32-V40 PolarHBondContact N-O 2.73Å; G33-V40 PolarHBondContact N-O 3.48Å; G33-V40 PolarHBondContact O-N 3.26Å; F38-V40 HydrophobicContact CB-CG2 4.37Å; V40-V51 HydrophobicContact CG1-CG1 3.67Å; V40-V52 WeakPolarHBondContact CA-O 3.49Å; V40-K53 HydrophobicContact CG1-CG 4.19Å; V40-K53 HydrophobicContact CG2-CG 4.11Å
41A96.6Very high92.2Very high0 Ų068.3 Ų68.30%035%0.346CS..EExtended strand (participates in β ladder)trans-130.1155.7177.500000111.2V16 F20 Y28 K30 V51 V52V16-A41 HydrophobicContact CG1-CB 4.28Å; V16-A41 HydrophobicContact CG2-CB 3.71Å; F20-A41 HydrophobicContact CE2-CB 3.96Å; F20-A41 HydrophobicContact CZ-CB 3.93Å; Y28-A41 HydrophobicContact CD2-CB 4.02Å; Y28-A41 HydrophobicContact CE2-CB 3.86Å; K30-A41 CarbonylContact O-C 3.51Å; K30-A41 WeakPolarHBondContact O-CA 3.47Å; A41-V51 WeakPolarHBondContact O-CA 3.37Å; A41-V52 PolarHBondContact N-O 3.13Å; A41-V52 PolarHBondContact O-N 3.2Å
42R97.4Very high92.2Very high44 Ų4465.2 Ų65.217%0.16632%0.324CS..EExtended strand (participates in β ladder)trans-92.9139.9159.4-165.3169.367.3170.76.4107.9D29 K30 L32 V50 Y105D29-R42 WeakPolarHBondContact CB-O 3.03Å; D29-R42 PolarHBondContact N-O 2.9Å; D29-R42 IonicContact OD2-CZ 2.61Å; D29-R42 IonicContact OD2-NE 3.04Å; D29-R42 PolarHBondContact OD2-NE 2.7Å; D29-R42 IonicContact OD2-NH2 2.78Å; D29-R42 PolarHBondContact OD2-NH2 3.3Å; K30-R42 HydrophobicContact CG-CB 4.08Å; K30-R42 PolarHBondContact N-O 2.82Å; K30-R42 PolarHBondContact O-N 3.18Å; L32-R42 HydrophobicContact CD1-CB 3.98Å; L32-R42 HydrophobicContact CD2-CB 4.13Å; L32-R42 HydrophobicContact CG-CB 4.05Å; R42-V50 VanDerWaalsContact CA-O 3.31Å; R42-V50 WeakPolarHBondContact CA-O 3.3Å; R42-Y105 HydrophobicContact CG-CD2 4.03Å; R42-Y105 HydrophobicContact CG-CE2 4.36Å; R42-Y105 HydrophobicContact CG-CG 4.15Å
43A97.2Very high92.3Very high0 Ų063.9 Ų63.90%032%0.315CS..EExtended strand (participates in β ladder)trans-137.4159.3175.700000110.4F20 E27 L49 V50 V52F20-A43 HydrophobicContact CD1-CB 4.42Å; F20-A43 HydrophobicContact CE1-CB 3.5Å; F20-A43 VanDerWaalsContact CE1-CB 3.5Å; F20-A43 HydrophobicContact CZ-CB 4.05Å; E27-A43 CarbonylContact O-C 3.44Å; E27-A43 WeakPolarHBondContact O-CA 3.47Å; E27-A43 VanDerWaalsContact O-CB 3.23Å; E27-A43 WeakPolarHBondContact O-CB 3.41Å; A43-L49 WeakPolarHBondContact O-CA 3.28Å; A43-V50 HydrophobicContact CB-CG2 3.87Å; A43-V50 PolarHBondContact N-O 3.34Å; A43-V50 PolarHBondContact O-N 3.06Å; A43-V52 HydrophobicContact CB-CG2 3.92Å
44K96.8Very high92.4Very high84 Ų8462.5 Ų62.537%0.36530%0.3SS..EExtended strand (participates in β ladder)trans-95.2133.1173.3-53.9172.6-167.3154.70109.1F26 E27 D29 L49F26-K44 WeakPolarHBondContact CA-O 3.32Å; E27-K44 HydrophobicContact CB-CB 4.28Å; E27-K44 PolarHBondContact N-O 3.5Å; E27-K44 PolarHBondContact O-N 2.92Å; E27-K44 IonicContact OE1-NZ 2.75Å; E27-K44 PolarHBondContact OE1-NZ 2.96Å; D29-K44 HydrophobicContact CB-CG 4.41Å; K44-L49 HydrophobicContact CG-CD2 3.89Å
45H95.3Very high92.6Very high49 Ų4959.4 Ų59.423%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-119.4162.8167.6180-108000108.1D25 F26 E47 G48 V50D25-H45 PolarHBondContact O-CD2 2.92Å; D25-H45 VanDerWaalsContact O-CD2 3.27Å; F26-H45 HydrophobicContact CD1-CB 3.93Å; F26-H45 HydrophobicContact CE1-CB 3.76Å; F26-H45 AromaticContact CE1-CD2 3.67Å; F26-H45 AromaticContact CE1-CG 3.86Å; F26-H45 AromaticContact CE2-CD2 4Å; F26-H45 AromaticContact CZ-CD2 3.61Å; H45-E47 IonicContact CE1-OE2 2.66Å; H45-E47 PolarHBondContact ND1-N 3.31Å; H45-E47 IonicContact ND1-OE2 2.67Å; H45-E47 PolarHBondContact O-N 3.16Å; H45-E47 VanDerWaalsContact O-N 3.09Å; H45-G48 WeakPolarHBondContact CA-O 3.46Å; H45-G48 WeakPolarHBondContact CB-O 3.48Å; H45-G48 PolarHBondContact N-O 3.21Å; H45-G48 PolarHBondContact O-N 2.89Å; H45-G48 VanDerWaalsContact O-O 3.13Å; H45-V50 HydrophobicContact CB-CG1 4.16Å
46R93.2Very high92.9Very high223 Ų22356.5 Ų56.584%0.84226%0.26SS*.THydrogen-bonded Turntrans-56.3-29.4178.5-62.9-177-176.5-178.82.9113.1
47E92.3Very high93.3Very high179 Ų17949.9 Ų49.984%0.83624%0.236SC*.THydrogen-bonded Turntrans-93-0.4-179.6-59.6176.516800113.8H45H45-E47 IonicContact CE1-OE2 2.66Å; H45-E47 PolarHBondContact ND1-N 3.31Å; H45-E47 IonicContact ND1-OE2 2.67Å; H45-E47 PolarHBondContact O-N 3.16Å; H45-E47 VanDerWaalsContact O-N 3.09Å
48G94.9Very high93.4Very high36 Ų3650.1 Ų50.137%0.37124%0.238SC..EExtended strand (participates in β ladder)trans132.1-164.6178.100000114.1H45H45-G48 WeakPolarHBondContact CA-O 3.46Å; H45-G48 WeakPolarHBondContact CB-O 3.48Å; H45-G48 PolarHBondContact N-O 3.21Å; H45-G48 PolarHBondContact O-N 2.89Å; H45-G48 VanDerWaalsContact O-O 3.13Å
49L97.3Very high93.1Very high69 Ų6950.2 Ų50.236%0.36124%0.242SC..EExtended strand (participates in β ladder)trans-82.1140.8-176.7-63.2174.7000111.7A43 K44 Y105A43-L49 WeakPolarHBondContact O-CA 3.28Å; K44-L49 HydrophobicContact CG-CD2 3.89Å; L49-Y105 HydrophobicContact CB-CD1 4.04Å; L49-Y105 HydrophobicContact CB-CG 4.24Å; L49-Y105 HydrophobicContact CD1-CD1 4.07Å; L49-Y105 HydrophobicContact CD1-CE1 4.47Å; L49-Y105 WeakPolarHBondContact O-CB 3.44Å; L49-Y105 PolarHBondContact O-N 3.35Å
50V97.3Very high92.5Very high17 Ų1753.5 Ų53.510%0.10327%0.268CS..EExtended strand (participates in β ladder)trans-126.6154.6178-60.20000111.8F26 R42 A43 H45 V52 R103F26-V50 HydrophobicContact CD1-CG2 3.57Å; F26-V50 HydrophobicContact CE1-CB 4.41Å; F26-V50 HydrophobicContact CE1-CG1 4.09Å; F26-V50 HydrophobicContact CE1-CG2 3.69Å; R42-V50 VanDerWaalsContact CA-O 3.31Å; R42-V50 WeakPolarHBondContact CA-O 3.3Å; A43-V50 HydrophobicContact CB-CG2 3.87Å; A43-V50 PolarHBondContact N-O 3.34Å; A43-V50 PolarHBondContact O-N 3.06Å; H45-V50 HydrophobicContact CB-CG1 4.16Å; V50-V52 HydrophobicContact CG2-CG2 3.92Å; V50-R103 CarbonylContact C-O 3.58Å; V50-R103 VanDerWaalsContact CA-O 3.25Å; V50-R103 WeakPolarHBondContact CA-O 3.4Å; V50-R103 VanDerWaalsContact CB-O 3.31Å; V50-R103 WeakPolarHBondContact CB-O 3.38Å
51V97.1Very high92Very high7 Ų758 Ų584%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-94.1132.5163176.10000108.1L32 V40 A41 F102 R103 Y105L32-V51 HydrophobicContact CD1-CG2 4.09Å; V40-V51 HydrophobicContact CG1-CG1 3.67Å; A41-V51 WeakPolarHBondContact O-CA 3.37Å; V51-F102 WeakPolarHBondContact O-CA 3.39Å; V51-R103 HydrophobicContact CB-CG 3.94Å; V51-R103 PolarHBondContact N-O 3.33Å; V51-R103 PolarHBondContact O-N 3.17Å; V51-Y105 HydrophobicContact CG2-CD2 3.68Å; V51-Y105 HydrophobicContact CG2-CG 4.44Å
52V95.8Very high91.4Very high0 Ų059.6 Ų59.60%030%0.304CS..EExtended strand (participates in β ladder)trans-118.5118175.4-171.60000108.6F20 V40 A41 A43 V50 V54 M100 L101 F102F20-V52 HydrophobicContact CE1-CB 4.42Å; F20-V52 HydrophobicContact CE1-CG1 4.47Å; F20-V52 HydrophobicContact CE1-CG2 3.96Å; F20-V52 HydrophobicContact CZ-CB 3.85Å; F20-V52 HydrophobicContact CZ-CG1 3.98Å; F20-V52 HydrophobicContact CZ-CG2 3.85Å; V40-V52 WeakPolarHBondContact CA-O 3.49Å; A41-V52 PolarHBondContact N-O 3.13Å; A41-V52 PolarHBondContact O-N 3.2Å; A43-V52 HydrophobicContact CB-CG2 3.92Å; V50-V52 HydrophobicContact CG2-CG2 3.92Å; V52-V54 HydrophobicContact CG1-CG2 4.13Å; V52-M100 HydrophobicContact CG1-CB 4.34Å; V52-M100 HydrophobicContact CG1-CE 3.41Å; V52-M100 VanDerWaalsContact CG1-CE 3.41Å; V52-L101 CarbonylContact C-O 3.56Å; V52-L101 VanDerWaalsContact CA-O 3.29Å; V52-L101 WeakPolarHBondContact CA-O 3.39Å; V52-F102 HydrophobicContact CB-CD1 4.44Å; V52-F102 HydrophobicContact CB-CE1 4.43Å; V52-F102 HydrophobicContact CG1-CD1 4.15Å; V52-F102 HydrophobicContact CG1-CE1 3.79Å; V52-F102 HydrophobicContact CG1-CZ 4.14Å; V52-F102 HydrophobicContact CG2-CD1 3.67Å; V52-F102 HydrophobicContact CG2-CE1 3.79Å
53K94.3Very high90.8Very high42 Ų4260.6 Ų60.618%0.18332%0.316CS..EExtended strand (participates in β ladder)trans-98120.9169-69.3-163.5174172.90109.1F38 V40 F87 M100 L101 D166F38-K53 HydrophobicContact CD1-CB 3.83Å; F38-K53 HydrophobicContact CE1-CB 4.28Å; F38-K53 HydrophobicContact CG-CB 4.37Å; F38-K53 HydrophobicContact CG-CD 4.38Å; V40-K53 HydrophobicContact CG1-CG 4.19Å; V40-K53 HydrophobicContact CG2-CG 4.11Å; K53-F87 HydrophobicContact CD-CE1 4.38Å; K53-F87 HydrophobicContact CD-CE2 4.49Å; K53-F87 HydrophobicContact CD-CZ 3.67Å; K53-F87 HydrophobicContact CG-CE1 4.25Å; K53-F87 HydrophobicContact CG-CZ 4.04Å; K53-M100 CarbonylContact O-C 3.21Å; K53-M100 VanDerWaalsContact O-CA 3.3Å; K53-M100 WeakPolarHBondContact O-CA 3.45Å; K53-L101 HydrophobicContact CB-CB 4.32Å; K53-L101 PolarHBondContact N-O 2.78Å; K53-L101 PolarHBondContact O-N 2.86Å; K53-D166 VanDerWaalsContact CE-OD1 3.32Å; K53-D166 WeakPolarHBondContact CE-OD1 3.46Å; K53-D166 IonicContact NZ-OD1 3.84Å; K53-D166 PolarHBondContact NZ-OD1 3.13Å
54V92.6Very high90.3Very high2 Ų262.1 Ų62.11%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-105.1120.9179.8-172.10000109.2V16 Y19 F38 K39 V52 A98 M100V16-V54 HydrophobicContact CG2-CG2 4.05Å; Y19-V54 HydrophobicContact CD1-CG1 4.01Å; Y19-V54 HydrophobicContact CD2-CG1 3.78Å; Y19-V54 HydrophobicContact CE1-CG1 4.38Å; Y19-V54 HydrophobicContact CE2-CG1 4.16Å; Y19-V54 HydrophobicContact CG-CG1 3.68Å; F38-V54 CarbonylContact C-O 3.39Å; F38-V54 VanDerWaalsContact CA-O 3.3Å; F38-V54 WeakPolarHBondContact CA-O 3.29Å; K39-V54 HydrophobicContact CB-CB 4.39Å; K39-V54 PolarHBondContact N-O 2.77Å; K39-V54 PolarHBondContact O-N 3.46Å; V52-V54 HydrophobicContact CG1-CG2 4.13Å; V54-A98 HydrophobicContact CG1-CB 4.2Å; V54-M100 HydrophobicContact CB-CG 4.47Å; V54-M100 HydrophobicContact CG1-CG 4.17Å; V54-M100 HydrophobicContact CG2-CE 3.95Å; V54-M100 HydrophobicContact CG2-CG 4.15Å
55F90.6Very high89.8Confident33 Ų3362.3 Ų62.315%0.14533%0.332CS..EExtended strand (participates in β ladder)trans-102.7117.1170.3-178-104.3000108.9F37 F38 I57 L62 A98 A99F37-F55 HydrophobicContact CB-CD2 4.37Å; F37-F55 HydrophobicContact CB-CE2 4.31Å; F37-F55 WeakPolarHBondContact O-CD2 3.44Å; F38-F55 HydrophobicContact CD1-CB 3.96Å; F38-F55 HydrophobicContact CE1-CB 3.67Å; F38-F55 HydrophobicContact CE1-CD2 4.3Å; F38-F55 HydrophobicContact CE1-CG 4.39Å; F55-I57 HydrophobicContact CD1-CG1 4.14Å; F55-I57 HydrophobicContact CE1-CG1 4.43Å; F55-I57 PolarHBondContact O-N 3.36Å; F55-L62 HydrophobicContact CE1-CD1 3.91Å; F55-L62 HydrophobicContact CZ-CD1 4.01Å; F55-A98 CarbonylContact O-C 3.6Å; F55-A98 VanDerWaalsContact O-CA 3.27Å; F55-A98 WeakPolarHBondContact O-CA 3.49Å; F55-A99 HydrophobicContact CB-CB 4.37Å; F55-A99 PolarHBondContact N-O 3.12Å; F55-A99 PolarHBondContact O-N 3.31Å
56A88.5Confident89.4Confident27 Ų2762.5 Ų62.522%0.22334%0.34CS..EExtended strand (participates in β ladder)trans-79.6117.5174.100000109.4Q58A56-Q58 PolarHBondContact O-N 3.5Å
57I86.4Confident89.2Confident25 Ų2556.7 Ų56.713%0.12832%0.318CS..  trans-78.6107.6-178.8-53.6165.5000108.1F55 D59 L64 K97 A99F55-I57 HydrophobicContact CD1-CG1 4.14Å; F55-I57 HydrophobicContact CE1-CG1 4.43Å; F55-I57 PolarHBondContact O-N 3.36Å; I57-D59 WeakPolarHBondContact CG2-O 3.22Å; I57-L64 HydrophobicContact CD1-CD1 3.27Å; I57-L64 HydrophobicContact CG1-CD1 3.71Å; I57-L64 HydrophobicContact CG2-CD1 4.24Å; I57-K97 WeakPolarHBondContact CA-O 3.27Å; I57-K97 HydrophobicContact CB-CB 4.28Å; I57-K97 WeakPolarHBondContact CB-O 3.3Å; I57-K97 PolarHBondContact N-O 3.14Å; I57-A99 HydrophobicContact CD1-CB 4.44Å
58Q82.4Confident89Confident88 Ų8852.1 Ų52.141%0.41130%0.295SS..  trans-95.2-37.3175.4-65.3170.72.600111.3I8 P10 A56I8-Q58 PolarHBondContact O-OE1 2.95Å; P10-Q58 HydrophobicContact CB-CG 4.27Å; A56-Q58 PolarHBondContact O-N 3.5Å
59D82.9Confident88.8Confident61 Ų6156 Ų5633%0.32630%0.304SS..  trans-107.5109.6178.4-177.6-3.3000109.6I57 T61 L62I57-D59 WeakPolarHBondContact CG2-O 3.22Å; D59-T61 PolarHBondContact O-N 3.16Å; D59-T61 VanDerWaalsContact OD1-CB 3.31Å; D59-T61 WeakPolarHBondContact OD1-CB 3.43Å; D59-T61 WeakPolarHBondContact OD1-CG2 3.25Å; D59-T61 PolarHBondContact OD1-N 3.44Å; D59-T61 PolarHBondContact OD1-OG1 3.18Å; D59-T61 PolarHBondContact OD2-OG1 2.91Å; D59-T61 VanDerWaalsContact OD2-OG1 3.08Å; D59-L62 HydrophobicContact CB-CD1 4.21Å; D59-L62 HydrophobicContact CB-CG 4.05Å; D59-L62 WeakPolarHBondContact O-CG 3.34Å; D59-L62 PolarHBondContact O-N 2.58Å
60P79.8Confident88.5Confident117 Ų11756.7 Ų56.776%0.7631%0.305SS*.THydrogen-bonded Turntrans-71.3-10.1179.531.1-35.2000113.1L62P60-L62 PolarHBondContact O-N 3.38Å
61T84.4Confident88.2Confident114 Ų11457.1 Ų57.170%0.69931%0.307SS*.THydrogen-bonded Turntrans-79.8-7.8176.872.30000113D59D59-T61 PolarHBondContact O-N 3.16Å; D59-T61 VanDerWaalsContact OD1-CB 3.31Å; D59-T61 WeakPolarHBondContact OD1-CB 3.43Å; D59-T61 WeakPolarHBondContact OD1-CG2 3.25Å; D59-T61 PolarHBondContact OD1-N 3.44Å; D59-T61 PolarHBondContact OD1-OG1 3.18Å; D59-T61 PolarHBondContact OD2-OG1 2.91Å; D59-T61 VanDerWaalsContact OD2-OG1 3.08Å
62L82.8Confident88Confident34 Ų3460 Ų6018%0.17832%0.32CS..SBendtrans-60.2134.1177.3-69.7172000111L5 F55 D59 P60 L64L5-L62 HydrophobicContact CD2-CD1 4.04Å; L5-L62 HydrophobicContact CD2-CD2 3.74Å; L5-L62 HydrophobicContact CD2-CG 4.47Å; F55-L62 HydrophobicContact CE1-CD1 3.91Å; F55-L62 HydrophobicContact CZ-CD1 4.01Å; D59-L62 HydrophobicContact CB-CD1 4.21Å; D59-L62 HydrophobicContact CB-CG 4.05Å; D59-L62 WeakPolarHBondContact O-CG 3.34Å; D59-L62 PolarHBondContact O-N 2.58Å; P60-L62 PolarHBondContact O-N 3.38Å; L62-L64 HydrophobicContact CB-CD2 4.22Å; L62-L64 HydrophobicContact CB-CG 4.27Å; L62-L64 PolarHBondContact O-N 2.88Å
63P85.8Confident87.9Confident66 Ų6665.4 Ų65.443%0.42935%0.345SS..  trans-7961-176.933.6-37.1000111.6T65 S66 Y67P63-T65 PolarHBondContact O-N 3.43Å; P63-S66 WeakPolarHBondContact O-CB 3.48Å; P63-S66 PolarHBondContact O-N 3.41Å; P63-Y67 HydrophobicContact CG-CD2 4.42Å; P63-Y67 HydrophobicContact CG-CE2 3.84Å; P63-Y67 VanDerWaalsContact O-CD2 3.28Å; P63-Y67 WeakPolarHBondContact O-CD2 3.49Å; P63-Y67 PolarHBondContact O-N 2.84Å
64L85.4Confident87.9Confident31 Ų3164.1 Ų64.116%0.16234%0.34CS..Hα-helixtrans-58.7-34-176-62.7178.7000112.7I57 L62 S66 Y67 K68I57-L64 HydrophobicContact CD1-CD1 3.27Å; I57-L64 HydrophobicContact CG1-CD1 3.71Å; I57-L64 HydrophobicContact CG2-CD1 4.24Å; L62-L64 HydrophobicContact CB-CD2 4.22Å; L62-L64 HydrophobicContact CB-CG 4.27Å; L62-L64 PolarHBondContact O-N 2.88Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 2.89Å; L64-Y67 PolarHBondContact O-N 3.41Å; L64-K68 WeakPolarHBondContact O-CB 3.15Å; L64-K68 PolarHBondContact O-N 2.84Å
65T87.1Confident88Confident88 Ų8867 Ų6754%0.5435%0.353SS..Hα-helixtrans-60-41.8175.6-49.80000112.2P63 K68 Q69P63-T65 PolarHBondContact O-N 3.43Å; T65-K68 PolarHBondContact O-N 3.34Å; T65-Q69 WeakPolarHBondContact O-CG 3.43Å; T65-Q69 PolarHBondContact O-N 3.14Å
66S87.6Confident88.3Confident54 Ų5471.4 Ų71.438%0.37838%0.376SS..Hα-helixtrans-65.2-46.1176.9-56.80000110.9P63 L64 K68 Q69 E70P63-S66 WeakPolarHBondContact O-CB 3.48Å; P63-S66 PolarHBondContact O-N 3.41Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 2.89Å; S66-K68 VanDerWaalsContact C-N 3.29Å; S66-K68 PolarHBondContact O-N 3.17Å; S66-Q69 WeakPolarHBondContact O-CB 3.24Å; S66-Q69 PolarHBondContact O-N 3.14Å; S66-Q69 VanDerWaalsContact O-N 3.16Å; S66-E70 WeakPolarHBondContact O-CG 3.35Å; S66-E70 PolarHBondContact O-N 2.89Å
67Y87.5Confident88.7Confident101 Ų10175.5 Ų75.540%0.39639%0.386SS..Hα-helixtrans-60.5-38.4176.1-67.2-58000112.7P63 L64 E70 L71 F170P63-Y67 HydrophobicContact CG-CD2 4.42Å; P63-Y67 HydrophobicContact CG-CE2 3.84Å; P63-Y67 VanDerWaalsContact O-CD2 3.28Å; P63-Y67 WeakPolarHBondContact O-CD2 3.49Å; P63-Y67 PolarHBondContact O-N 2.84Å; L64-Y67 PolarHBondContact O-N 3.41Å; Y67-E70 PolarHBondContact O-N 3.45Å; Y67-L71 VanDerWaalsContact O-CG 3.29Å; Y67-L71 WeakPolarHBondContact O-CG 3.37Å; Y67-L71 PolarHBondContact O-N 3.31Å; Y67-F170 AromaticContact CD1-CD1 3.96Å; Y67-F170 HydrophobicContact CD1-CD1 3.96Å; Y67-F170 AromaticContact CD1-CE1 3.39Å; Y67-F170 HydrophobicContact CD1-CE1 3.39Å; Y67-F170 AromaticContact CD1-CZ 3.97Å; Y67-F170 HydrophobicContact CD1-CZ 3.97Å; Y67-F170 AromaticContact CE1-CD1 3.83Å; Y67-F170 HydrophobicContact CE1-CD1 3.83Å; Y67-F170 AromaticContact CE1-CE1 3.76Å; Y67-F170 HydrophobicContact CE1-CE1 3.76Å
68K89.3Confident89.2Confident82 Ų8274.5 Ų74.536%0.35738%0.381SS..Hα-helixtrans-64.1-43.7175.2-175.9179-179.7-176.70111.8L64 T65 S66 L71 E72 A90L64-K68 WeakPolarHBondContact O-CB 3.15Å; L64-K68 PolarHBondContact O-N 2.84Å; T65-K68 PolarHBondContact O-N 3.34Å; S66-K68 VanDerWaalsContact C-N 3.29Å; S66-K68 PolarHBondContact O-N 3.17Å; K68-L71 PolarHBondContact O-N 3.01Å; K68-E72 PolarHBondContact O-N 3.42Å; K68-E72 VanDerWaalsContact O-N 3.08Å; K68-A90 HydrophobicContact CG-CB 4.08Å
69Q90.8Very high89.8Confident117 Ų11778.5 Ų78.555%0.54740%0.399SS..Hα-helixtrans-61.3-47176.2-73.9171.8-13.500111.4T65 S66 L71 E72 E73T65-Q69 WeakPolarHBondContact O-CG 3.43Å; T65-Q69 PolarHBondContact O-N 3.14Å; S66-Q69 WeakPolarHBondContact O-CB 3.24Å; S66-Q69 PolarHBondContact O-N 3.14Å; S66-Q69 VanDerWaalsContact O-N 3.16Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 2.9Å; Q69-E72 PolarHBondContact O-N 3.4Å; Q69-E72 VanDerWaalsContact O-N 3.16Å; Q69-E73 WeakPolarHBondContact O-CG 3.47Å; Q69-E73 PolarHBondContact O-N 3.48Å
70E89.9Confident90.3Very high84 Ų8480 Ų8039%0.39342%0.415SS..Hα-helixtrans-60-37.1177.5-71.5-178.6-135.500112.6S66 Y67 L74 F170S66-E70 WeakPolarHBondContact O-CG 3.35Å; S66-E70 PolarHBondContact O-N 2.89Å; Y67-E70 PolarHBondContact O-N 3.45Å; E70-L74 VanDerWaalsContact O-CB 3.3Å; E70-L74 WeakPolarHBondContact O-CB 3.29Å; E70-L74 PolarHBondContact O-N 2.97Å; E70-F170 HydrophobicContact CB-CE1 4.44Å; E70-F170 HydrophobicContact CB-CZ 4.47Å; E70-F170 WeakPolarHBondContact OE2-CE1 3.4Å
71L91.4Very high91.2Very high27 Ų2774.7 Ų74.714%0.14138%0.38CS..Hα-helixtrans-67.6-40.7175.7-74.6169.7000112.7Y67 K68 Q69 L74 K75 L101Y67-L71 VanDerWaalsContact O-CG 3.29Å; Y67-L71 WeakPolarHBondContact O-CG 3.37Å; Y67-L71 PolarHBondContact O-N 3.31Å; K68-L71 PolarHBondContact O-N 3.01Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 2.9Å; L71-L74 PolarHBondContact O-N 2.96Å; L71-K75 WeakPolarHBondContact O-CB 3.34Å; L71-K75 PolarHBondContact O-N 3.18Å; L71-L101 HydrophobicContact CD1-CD1 4.22Å; L71-L101 HydrophobicContact CD1-CD2 3.51Å
72E93.1Very high91.7Very high66 Ų6675.9 Ų75.931%0.30838%0.378SS..Hα-helixtrans-67-40.5175.3-69.1-61.2156.400111.4K68 Q69 L74 K75 I76K68-E72 PolarHBondContact O-N 3.42Å; K68-E72 VanDerWaalsContact O-N 3.08Å; Q69-E72 PolarHBondContact O-N 3.4Å; Q69-E72 VanDerWaalsContact O-N 3.16Å; E72-L74 PolarHBondContact O-N 3.08Å; E72-K75 WeakPolarHBondContact O-CB 3.39Å; E72-K75 PolarHBondContact O-N 3.43Å; E72-K75 IonicContact OE2-NZ 3.59Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.47Å; E72-I76 PolarHBondContact O-N 3.49Å
73E93.7Very high92.5Very high114 Ų11474.5 Ų74.553%0.53337%0.371SS..Hα-helixtrans-60.8-44.8173-73-179.9-17300111.9Q69 K75 I76 R77Q69-E73 WeakPolarHBondContact O-CG 3.47Å; Q69-E73 PolarHBondContact O-N 3.48Å; E73-K75 VanDerWaalsContact C-N 3.33Å; E73-K75 PolarHBondContact O-N 2.83Å; E73-I76 PolarHBondContact O-N 3.25Å; E73-R77 WeakPolarHBondContact O-CB 3.44Å; E73-R77 VanDerWaalsContact O-CG 3.24Å; E73-R77 WeakPolarHBondContact O-CG 3.32Å; E73-R77 PolarHBondContact O-N 3.47Å
74L94.2Very high93.1Very high16 Ų1671.9 Ų71.98%0.08435%0.354CS..Hα-helixtrans-60.4-43.7177.2-174115000111.2E70 L71 E72 R77 L78 P86 V144 F167 S169E70-L74 VanDerWaalsContact O-CB 3.3Å; E70-L74 WeakPolarHBondContact O-CB 3.29Å; E70-L74 PolarHBondContact O-N 2.97Å; L71-L74 PolarHBondContact O-N 2.96Å; E72-L74 PolarHBondContact O-N 3.08Å; L74-R77 PolarHBondContact O-N 2.85Å; L74-L78 HydrophobicContact CD2-CD1 4.01Å; L74-L78 HydrophobicContact CG-CD1 3.92Å; L74-L78 WeakPolarHBondContact O-CB 3.38Å; L74-L78 WeakPolarHBondContact O-CG 3.32Å; L74-L78 PolarHBondContact O-N 3.29Å; L74-P86 HydrophobicContact CD2-CB 3.61Å; L74-V144 HydrophobicContact CD1-CG1 3.59Å; L74-V144 HydrophobicContact CD1-CG2 4.49Å; L74-V144 HydrophobicContact CG-CG1 4.45Å; L74-F167 HydrophobicContact CD1-CB 4.04Å; L74-F167 HydrophobicContact CD1-CG 4.49Å; L74-F167 HydrophobicContact CD2-CB 3.84Å; L74-F167 HydrophobicContact CD2-CG 4.24Å; L74-S169 WeakPolarHBondContact CD1-OG 3.35Å
75K94.9Very high93.6Very high63 Ų6371.2 Ų71.227%0.27435%0.351SS..Hα-helixtrans-59.3-45.9174.8174.4-171.5169.8-171.60111.8L71 E72 E73 L78 H79 Q88L71-K75 WeakPolarHBondContact O-CB 3.34Å; L71-K75 PolarHBondContact O-N 3.18Å; E72-K75 WeakPolarHBondContact O-CB 3.39Å; E72-K75 PolarHBondContact O-N 3.43Å; E72-K75 IonicContact OE2-NZ 3.59Å; E73-K75 VanDerWaalsContact C-N 3.33Å; E73-K75 PolarHBondContact O-N 2.83Å; K75-L78 PolarHBondContact O-N 2.89Å; K75-H79 PolarHBondContact O-N 2.74Å; K75-H79 VanDerWaalsContact O-N 3.16Å; K75-Q88 WeakPolarHBondContact CE-O 3.34Å; K75-Q88 PolarHBondContact NZ-O 2.83Å
76I96.4Very high94Very high124 Ų12467.3 Ų67.364%0.63633%0.327SS*.Hα-helixtrans-62.3-48.4178.2-69.1164.3000110.5E72 E73 L78 H79E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.47Å; E72-I76 PolarHBondContact O-N 3.49Å; E73-I76 PolarHBondContact O-N 3.25Å; I76-L78 VanDerWaalsContact C-N 3.28Å; I76-L78 PolarHBondContact O-N 3.43Å; I76-H79 VanDerWaalsContact O-CB 3.24Å; I76-H79 WeakPolarHBondContact O-CB 3.3Å; I76-H79 PolarHBondContact O-N 3.47Å
77R96.2Very high94.4Very high113 Ų11365.9 Ų65.943%0.42631%0.314SS..Hα-helixtrans-63.6-33.9-177.9-71.2173.270.1-179.49.6113E73 L74 S142 G143 V144E73-R77 WeakPolarHBondContact O-CB 3.44Å; E73-R77 VanDerWaalsContact O-CG 3.24Å; E73-R77 WeakPolarHBondContact O-CG 3.32Å; E73-R77 PolarHBondContact O-N 3.47Å; L74-R77 PolarHBondContact O-N 2.85Å; R77-S142 PolarHBondContact NE-O 3.18Å; R77-S142 PolarHBondContact NH2-O 2.77Å; R77-S142 WeakPolarHBondContact O-CB 3.21Å; R77-S142 PolarHBondContact O-OG 2.79Å; R77-G143 PolarHBondContact NH2-O 3.01Å; R77-V144 HydrophobicContact CB-CG2 3.97Å
78L96.8Very high94.7Very high4 Ų464.9 Ų64.92%0.02131%0.313CS..THydrogen-bonded Turntrans-92.56.7179.7-65.1176.8000113.3L74 K75 I76 S80 A81 C84 P86 A139 V144 F167L74-L78 HydrophobicContact CD2-CD1 4.01Å; L74-L78 HydrophobicContact CG-CD1 3.92Å; L74-L78 WeakPolarHBondContact O-CB 3.38Å; L74-L78 WeakPolarHBondContact O-CG 3.32Å; L74-L78 PolarHBondContact O-N 3.29Å; K75-L78 PolarHBondContact O-N 2.89Å; I76-L78 VanDerWaalsContact C-N 3.28Å; I76-L78 PolarHBondContact O-N 3.43Å; L78-S80 PolarHBondContact O-N 2.61Å; L78-A81 HydrophobicContact CB-CB 4.33Å; L78-A81 HydrophobicContact CD2-CB 4.06Å; L78-A81 WeakPolarHBondContact O-CB 3.49Å; L78-A81 PolarHBondContact O-N 2.97Å; L78-C84 HydrophobicContact CD1-CB 4.34Å; L78-C84 HydrophobicContact CD2-CB 4.35Å; L78-P86 HydrophobicContact CB-CG 4.1Å; L78-P86 HydrophobicContact CD1-CB 4.14Å; L78-P86 HydrophobicContact CD1-CG 4.23Å; L78-A139 HydrophobicContact CD2-CB 3.97Å; L78-V144 HydrophobicContact CD1-CG1 4.3Å; L78-V144 HydrophobicContact CD2-CB 4.13Å; L78-V144 HydrophobicContact CD2-CG1 4.4Å; L78-V144 HydrophobicContact CD2-CG2 4.21Å; L78-V144 HydrophobicContact CG-CG2 4.29Å; L78-F167 HydrophobicContact CD1-CD1 4.04Å; L78-F167 HydrophobicContact CD1-CD2 4.05Å; L78-F167 HydrophobicContact CD1-CE1 3.85Å; L78-F167 HydrophobicContact CD1-CE2 3.85Å; L78-F167 HydrophobicContact CD1-CG 4.15Å; L78-F167 HydrophobicContact CD1-CZ 3.77Å
79H95.1Very high94.8Very high172 Ų17265.2 Ų65.280%0.79631%0.314SS*.THydrogen-bonded Turntrans-57.1-35.7-176.418072.4000113.6K75 I76K75-H79 PolarHBondContact O-N 2.74Å; K75-H79 VanDerWaalsContact O-N 3.16Å; I76-H79 VanDerWaalsContact O-CB 3.24Å; I76-H79 WeakPolarHBondContact O-CB 3.3Å; I76-H79 PolarHBondContact O-N 3.47Å
80S94.9Very high94.8Very high93 Ų9360.4 Ų60.465%0.6530%0.295SS*.THydrogen-bonded Turntrans-90-4.1177.757.90000114.2L78 Q82L78-S80 PolarHBondContact O-N 2.61Å; S80-Q82 PolarHBondContact O-N 2.88Å
81A97.3Very high94.7Very high5 Ų557.8 Ų57.84%0.04129%0.287CS..  trans-86.787.4-176.300000110.8L78 N83 C84 Q138L78-A81 HydrophobicContact CB-CB 4.33Å; L78-A81 HydrophobicContact CD2-CB 4.06Å; L78-A81 WeakPolarHBondContact O-CB 3.49Å; L78-A81 PolarHBondContact O-N 2.97Å; A81-N83 PolarHBondContact O-N 2.77Å; A81-N83 VanDerWaalsContact O-N 3.1Å; A81-C84 HydrophobicContact CB-CB 3.78Å; A81-C84 WeakPolarHBondContact O-CB 3.08Å; A81-C84 PolarHBondContact O-N 2.89Å; A81-Q138 HydrophobicContact CB-CB 3.77Å
82Q96.8Very high94.4Very high139 Ų13960.6 Ų60.665%0.6530%0.299SS*.THydrogen-bonded Turntrans-60-23.8-172-62-179.4-700115.2S80 Q138 W161 L163S80-Q82 PolarHBondContact O-N 2.88Å; Q82-Q138 VanDerWaalsContact N-OE1 3.13Å; Q82-W161 HydrophobicContact CB-CZ2 4.29Å; Q82-L163 WeakPolarHBondContact O-CD2 3.46Å
83N98.4Very high93.5Very high6 Ų658.4 Ų58.43%0.03229%0.289CS..THydrogen-bonded Turntrans-97.89.6176.7-61.8104.8000112.6A81 A135 Q138 W161 V162 L163 L164A81-N83 PolarHBondContact O-N 2.77Å; A81-N83 VanDerWaalsContact O-N 3.1Å; N83-A135 HydrophobicContact CB-CB 3.57Å; N83-A135 WeakPolarHBondContact O-CB 3.41Å; N83-Q138 PolarHBondContact OD1-NE2 2.99Å; N83-Q138 VanDerWaalsContact OD1-NE2 3.13Å; N83-W161 VanDerWaalsContact ND2-CZ2 3.3Å; N83-W161 WeakPolarHBondContact ND2-CZ2 3.15Å; N83-V162 PolarHBondContact ND2-O 3.31Å; N83-L163 CarbonylContact O-C 3.57Å; N83-L163 WeakPolarHBondContact O-CA 3.48Å; N83-L164 PolarHBondContact O-N 3.29Å
84C98.1Very high92.1Very high11 Ų1157.7 Ų57.77%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-113.8132.9176.3-60.90000109.9L78 A81 P86 A135 F167L78-C84 HydrophobicContact CD1-CB 4.34Å; L78-C84 HydrophobicContact CD2-CB 4.35Å; A81-C84 HydrophobicContact CB-CB 3.78Å; A81-C84 WeakPolarHBondContact O-CB 3.08Å; A81-C84 PolarHBondContact O-N 2.89Å; C84-P86 WeakPolarHBondContact O-CD 3.44Å; C84-A135 PolarHBondContact SG-O 3.47Å; C84-A135 VanDerWaalsContact SG-O 3.41Å; C84-F167 HydrophobicContact CB-CE2 3.99Å; C84-F167 HydrophobicContact CB-CZ 3.85Å
85L97.4Very high90.8Very high17 Ų1761.3 Ų61.39%0.08933%0.33CS..EExtended strand (participates in β ladder)trans-124.381.5177.1178.567.5000109.3Q104 V106 L163 L164 T165L85-Q104 HydrophobicContact CD1-CB 4.37Å; L85-Q104 HydrophobicContact CD2-CB 4.3Å; L85-V106 HydrophobicContact CD2-CG2 4.15Å; L85-L163 HydrophobicContact CB-CB 4.03Å; L85-L163 HydrophobicContact CB-CD2 4.46Å; L85-L163 HydrophobicContact CD2-CD1 4.2Å; L85-L164 PolarHBondContact N-O 3.11Å; L85-T165 HydrophobicContact CB-CG2 3.8Å; L85-T165 HydrophobicContact CD2-CG2 3.85Å; L85-T165 HydrophobicContact CG-CG2 4.07Å
86P95.5Very high89.3Confident6 Ų659.9 Ų59.94%0.03932%0.324CS..  trans-69.8167.1172.531.6-35.4000111.2L74 L78 C84 Q88L74-P86 HydrophobicContact CD2-CB 3.61Å; L78-P86 HydrophobicContact CB-CG 4.1Å; L78-P86 HydrophobicContact CD1-CB 4.14Å; L78-P86 HydrophobicContact CD1-CG 4.23Å; C84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-Q88 PolarHBondContact O-N 2.77Å; P86-Q88 PolarHBondContact O-NE2 2.86Å
87F95.1Very high88.6Confident23 Ų2360.9 Ų60.910%0.10132%0.324CS..  trans-60.4135.7167.6-72.3-75.9000110.2K53 L101 R103 D166K53-F87 HydrophobicContact CD-CE1 4.38Å; K53-F87 HydrophobicContact CD-CE2 4.49Å; K53-F87 HydrophobicContact CD-CZ 3.67Å; K53-F87 HydrophobicContact CG-CE1 4.25Å; K53-F87 HydrophobicContact CG-CZ 4.04Å; F87-L101 HydrophobicContact CB-CB 4.49Å; F87-L101 HydrophobicContact CD1-CB 3.52Å; F87-L101 HydrophobicContact CD2-CB 4.4Å; F87-L101 HydrophobicContact CD2-CD1 4.15Å; F87-L101 HydrophobicContact CE1-CB 3.76Å; F87-L101 HydrophobicContact CE2-CD1 4.21Å; F87-L101 HydrophobicContact CG-CB 3.89Å; F87-L101 HydrophobicContact CG-CD1 4.41Å; F87-L101 HydrophobicContact CZ-CB 4.33Å; F87-R103 HydrophobicContact CD1-CB 3.88Å; F87-R103 HydrophobicContact CD1-CG 4.07Å; F87-R103 HydrophobicContact CE1-CB 4.21Å; F87-R103 HydrophobicContact CE1-CG 3.87Å; F87-D166 WeakPolarHBondContact CZ-OD1 3.11Å
88Q93.1Very high88.3Confident80 Ų8055.5 Ų55.537%0.37430%0.303SS..  trans-98.5-21.6-172.6-63.4-58-44.200112.8K75 P86 F102K75-Q88 WeakPolarHBondContact CE-O 3.34Å; K75-Q88 PolarHBondContact NZ-O 2.83Å; P86-Q88 PolarHBondContact O-N 2.77Å; P86-Q88 PolarHBondContact O-NE2 2.86Å; Q88-F102 PolarHBondContact N-O 3.04Å
89K91.4Very high88Confident89 Ų8956 Ų5639%0.38731%0.308SS..EExtended strand (participates in β ladder)trans-147.8141.6179.9178.7179.7-176.4177.30109.6F102K89-F102 HydrophobicContact CB-CB 4.16Å; K89-F102 HydrophobicContact CB-CD2 4.13Å; K89-F102 HydrophobicContact CB-CG 4.47Å; K89-F102 HydrophobicContact CD-CD2 4.27Å; K89-F102 HydrophobicContact CG-CD2 4.05Å; K89-F102 PolarHBondContact N-O 2.74Å; K89-F102 PolarHBondContact O-N 2.75Å
90A91.4Very high87.8Confident17 Ų1747.9 Ų47.914%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-122.9130.9167.500000109.5K68 M100 L101K68-A90 HydrophobicContact CG-CB 4.08Å; A90-M100 CarbonylContact C-O 3.6Å; A90-M100 WeakPolarHBondContact CA-O 3.35Å; A90-L101 HydrophobicContact CB-CD2 3.69Å
91A87.9Confident87.8Confident28 Ų2844.6 Ų44.623%0.23125%0.245CC..EExtended strand (participates in β ladder)trans-125.4138.2176.900000110A99 M100 F102A91-A99 CarbonylContact O-C 3.42Å; A91-A99 WeakPolarHBondContact O-CA 3.23Å; A91-M100 PolarHBondContact N-O 2.75Å; A91-M100 PolarHBondContact O-N 3.2Å; A91-F102 HydrophobicContact CB-CE2 3.92Å
92E84.1Confident87.7Confident86 Ų8644.6 Ų44.640%0.40224%0.244SC..EExtended strand (participates in β ladder)trans-107.8133.8171.5-70.4173.9-147.300108.3
93K74.7Confident87.6Confident20 Ų2038.8 Ų38.89%0.08722%0.217CC..EExtended strand (participates in β ladder)trans-112103174-77.2-168.3166.9-171.10109.1Y19 S95 E96 K97 A98 M100Y19-K93 PolarHBondContact O-NZ 3.05Å; K93-S95 VanDerWaalsContact C-N 3.31Å; K93-S95 PolarHBondContact O-N 3.32Å; K93-E96 HydrophobicContact CB-CB 4.27Å; K93-E96 HydrophobicContact CD-CB 4.36Å; K93-E96 HydrophobicContact CD-CG 4.33Å; K93-E96 WeakPolarHBondContact CD-OE2 3.22Å; K93-E96 VanDerWaalsContact NZ-CD 3.25Å; K93-E96 IonicContact NZ-OE1 3.63Å; K93-E96 PolarHBondContact NZ-OE1 3.46Å; K93-E96 IonicContact NZ-OE2 3.36Å; K93-E96 PolarHBondContact NZ-OE2 2.67Å; K93-K97 PolarHBondContact O-N 2.91Å; K93-K97 VanDerWaalsContact O-N 3.14Å; K93-A98 PolarHBondContact N-O 3.49Å; K93-A98 PolarHBondContact O-N 3.46Å; K93-A98 VanDerWaalsContact O-N 3.12Å; K93-M100 HydrophobicContact CD-SD 4.29Å
94A64.4Low87.6Confident100 Ų10043.8 Ų43.883%0.82624%0.24SC*.THydrogen-bonded Turntrans-64.9-35.4176.400000112.2
95S66.3Low87.5Confident92 Ų9245.3 Ų45.364%0.64324%0.244SC*.THydrogen-bonded Turntrans-65.6-44.7-179.951.30000112.9K93K93-S95 VanDerWaalsContact C-N 3.31Å; K93-S95 PolarHBondContact O-N 3.32Å
96E64.8Low87.5Confident32 Ų3245.2 Ų45.215%0.1524%0.244CC..THydrogen-bonded Turntrans-97.24.1-174.2-66.4169.4-158.100113.4Y19 S21 K93 A98Y19-E96 VanDerWaalsContact CA-OE2 3.23Å; Y19-E96 WeakPolarHBondContact CA-OE2 3.34Å; Y19-E96 HydrophobicContact CD1-CB 4.18Å; Y19-E96 HydrophobicContact CE1-CB 4.47Å; S21-E96 PolarHBondContact OG-OE1 3.17Å; K93-E96 HydrophobicContact CB-CB 4.27Å; K93-E96 HydrophobicContact CD-CB 4.36Å; K93-E96 HydrophobicContact CD-CG 4.33Å; K93-E96 WeakPolarHBondContact CD-OE2 3.22Å; K93-E96 VanDerWaalsContact NZ-CD 3.25Å; K93-E96 IonicContact NZ-OE1 3.63Å; K93-E96 PolarHBondContact NZ-OE1 3.46Å; K93-E96 IonicContact NZ-OE2 3.36Å; K93-E96 PolarHBondContact NZ-OE2 2.67Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 3.49Å
97K82.2Confident87.4Confident146 Ų14653.1 Ų53.164%0.63527%0.273SS*.THydrogen-bonded Turntrans45.756.1-172.5-61.6-176.9178.4-178.90110.9I57 K93I57-K97 WeakPolarHBondContact CA-O 3.27Å; I57-K97 HydrophobicContact CB-CB 4.28Å; I57-K97 WeakPolarHBondContact CB-O 3.3Å; I57-K97 PolarHBondContact N-O 3.14Å; K93-K97 PolarHBondContact O-N 2.91Å; K93-K97 VanDerWaalsContact O-N 3.14Å
98A88.3Confident87.4Confident0 Ų054.5 Ų54.50%028%0.282CS..EExtended strand (participates in β ladder)trans-137.8147.5-179.100000112.9Y19 V54 F55 K93 E96Y19-A98 HydrophobicContact CD1-CB 3.58Å; Y19-A98 HydrophobicContact CE1-CB 3.66Å; V54-A98 HydrophobicContact CG1-CB 4.2Å; F55-A98 CarbonylContact O-C 3.6Å; F55-A98 VanDerWaalsContact O-CA 3.27Å; F55-A98 WeakPolarHBondContact O-CA 3.49Å; K93-A98 PolarHBondContact N-O 3.49Å; K93-A98 PolarHBondContact O-N 3.46Å; K93-A98 VanDerWaalsContact O-N 3.12Å; E96-A98 VanDerWaalsContact C-N 3.32Å; E96-A98 PolarHBondContact O-N 3.49Å
99A90.3Very high87.6Confident15 Ų1552.2 Ų52.212%0.12427%0.272CS..EExtended strand (participates in β ladder)trans-113.6138.5166.500000109.3F55 I57 A91F55-A99 HydrophobicContact CB-CB 4.37Å; F55-A99 PolarHBondContact N-O 3.12Å; F55-A99 PolarHBondContact O-N 3.31Å; I57-A99 HydrophobicContact CD1-CB 4.44Å; A91-A99 CarbonylContact O-C 3.42Å; A91-A99 WeakPolarHBondContact O-CA 3.23Å
100M91.9Very high87.9Confident0 Ų048.7 Ų48.70%026%0.258CS..EExtended strand (participates in β ladder)trans-129.6131.4-172.7-64.2176.771.300110.9F20 I23 V52 K53 V54 A90 A91 K93 F102F20-M100 HydrophobicContact CE1-CE 4.48Å; F20-M100 HydrophobicContact CE2-CE 4.44Å; F20-M100 HydrophobicContact CZ-CE 4.35Å; I23-M100 HydrophobicContact CD1-CE 3.32Å; I23-M100 HydrophobicContact CD1-SD 3.49Å; I23-M100 WeakPolarHBondContact CD1-SD 3.24Å; V52-M100 HydrophobicContact CG1-CB 4.34Å; V52-M100 HydrophobicContact CG1-CE 3.41Å; V52-M100 VanDerWaalsContact CG1-CE 3.41Å; K53-M100 CarbonylContact O-C 3.21Å; K53-M100 VanDerWaalsContact O-CA 3.3Å; K53-M100 WeakPolarHBondContact O-CA 3.45Å; V54-M100 HydrophobicContact CB-CG 4.47Å; V54-M100 HydrophobicContact CG1-CG 4.17Å; V54-M100 HydrophobicContact CG2-CE 3.95Å; V54-M100 HydrophobicContact CG2-CG 4.15Å; A90-M100 CarbonylContact C-O 3.6Å; A90-M100 WeakPolarHBondContact CA-O 3.35Å; A91-M100 PolarHBondContact N-O 2.75Å; A91-M100 PolarHBondContact O-N 3.2Å; K93-M100 HydrophobicContact CD-SD 4.29Å; M100-F102 HydrophobicContact CB-CE2 3.61Å; M100-F102 HydrophobicContact CB-CZ 3.74Å; M100-F102 HydrophobicContact CE-CE1 4.5Å; M100-F102 HydrophobicContact CE-CZ 4.1Å; M100-F102 WeakPolarHBondContact O-CE2 3.45Å
101L94.3Very high88.2Confident24 Ų2453.8 Ų53.813%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-115134.1178.7-53.4179.7000110F38 V52 K53 L71 F87 A90F38-L101 HydrophobicContact CE1-CD1 4.47Å; V52-L101 CarbonylContact C-O 3.56Å; V52-L101 VanDerWaalsContact CA-O 3.29Å; V52-L101 WeakPolarHBondContact CA-O 3.39Å; K53-L101 HydrophobicContact CB-CB 4.32Å; K53-L101 PolarHBondContact N-O 2.78Å; K53-L101 PolarHBondContact O-N 2.86Å; L71-L101 HydrophobicContact CD1-CD1 4.22Å; L71-L101 HydrophobicContact CD1-CD2 3.51Å; F87-L101 HydrophobicContact CB-CB 4.49Å; F87-L101 HydrophobicContact CD1-CB 3.52Å; F87-L101 HydrophobicContact CD2-CB 4.4Å; F87-L101 HydrophobicContact CD2-CD1 4.15Å; F87-L101 HydrophobicContact CE1-CB 3.76Å; F87-L101 HydrophobicContact CE2-CD1 4.21Å; F87-L101 HydrophobicContact CG-CB 3.89Å; F87-L101 HydrophobicContact CG-CD1 4.41Å; F87-L101 HydrophobicContact CZ-CB 4.33Å; A90-L101 HydrophobicContact CB-CD2 3.69Å
102F95.1Very high88.6Confident5 Ų556.1 Ų56.12%0.02228%0.283CS..EExtended strand (participates in β ladder)trans-121.3133-174-53.8-103.2000110.9I23 F26 V51 V52 Q88 K89 A91 M100I23-F102 HydrophobicContact CD1-CZ 4.04Å; F26-F102 AromaticContact CD1-CD1 4Å; F26-F102 HydrophobicContact CD1-CD1 4Å; F26-F102 HydrophobicContact CD1-CE1 4.13Å; F26-F102 HydrophobicContact CD2-CD1 4.49Å; F26-F102 HydrophobicContact CD2-CE1 4.09Å; F26-F102 AromaticContact CE1-CD1 3.73Å; F26-F102 HydrophobicContact CE1-CD1 3.73Å; F26-F102 HydrophobicContact CE1-CE1 4.23Å; F26-F102 HydrophobicContact CE2-CD1 4.25Å; F26-F102 HydrophobicContact CE2-CE1 4.19Å; F26-F102 HydrophobicContact CG-CD1 4.36Å; F26-F102 HydrophobicContact CG-CE1 4.04Å; F26-F102 AromaticContact CZ-CD1 3.86Å; F26-F102 HydrophobicContact CZ-CD1 3.86Å; F26-F102 HydrophobicContact CZ-CE1 4.25Å; F26-F102 HydrophobicContact CZ-CG 4.45Å; V51-F102 WeakPolarHBondContact O-CA 3.39Å; V52-F102 HydrophobicContact CB-CD1 4.44Å; V52-F102 HydrophobicContact CB-CE1 4.43Å; V52-F102 HydrophobicContact CG1-CD1 4.15Å; V52-F102 HydrophobicContact CG1-CE1 3.79Å; V52-F102 HydrophobicContact CG1-CZ 4.14Å; V52-F102 HydrophobicContact CG2-CD1 3.67Å; V52-F102 HydrophobicContact CG2-CE1 3.79Å; Q88-F102 PolarHBondContact N-O 3.04Å; K89-F102 HydrophobicContact CB-CB 4.16Å; K89-F102 HydrophobicContact CB-CD2 4.13Å; K89-F102 HydrophobicContact CB-CG 4.47Å; K89-F102 HydrophobicContact CD-CD2 4.27Å; K89-F102 HydrophobicContact CG-CD2 4.05Å; K89-F102 PolarHBondContact N-O 2.74Å; K89-F102 PolarHBondContact O-N 2.75Å; A91-F102 HydrophobicContact CB-CE2 3.92Å; M100-F102 HydrophobicContact CB-CE2 3.61Å; M100-F102 HydrophobicContact CB-CZ 3.74Å; M100-F102 HydrophobicContact CE-CE1 4.5Å; M100-F102 HydrophobicContact CE-CZ 4.1Å; M100-F102 WeakPolarHBondContact O-CE2 3.45Å
103R96.3Very high89.2Confident17 Ų1753.6 Ų53.66%0.06427%0.269CS..EExtended strand (participates in β ladder)trans-142164168.967.7168.6177.892.6-17.2110.7V50 V51 F87 Y105 T165 D166V50-R103 CarbonylContact C-O 3.58Å; V50-R103 VanDerWaalsContact CA-O 3.25Å; V50-R103 WeakPolarHBondContact CA-O 3.4Å; V50-R103 VanDerWaalsContact CB-O 3.31Å; V50-R103 WeakPolarHBondContact CB-O 3.38Å; V51-R103 HydrophobicContact CB-CG 3.94Å; V51-R103 PolarHBondContact N-O 3.33Å; V51-R103 PolarHBondContact O-N 3.17Å; F87-R103 HydrophobicContact CD1-CB 3.88Å; F87-R103 HydrophobicContact CD1-CG 4.07Å; F87-R103 HydrophobicContact CE1-CB 4.21Å; F87-R103 HydrophobicContact CE1-CG 3.87Å; R103-Y105 PolarHBondContact O-N 2.91Å; R103-T165 PolarHBondContact NH2-OG1 2.99Å; R103-D166 IonicContact NE-OD2 2.74Å; R103-D166 IonicContact NH2-OD2 3.05Å; R103-D166 PolarHBondContact NH2-OD2 3.42Å
104Q96.6Very high90.1Very high111 Ų11156.6 Ų56.652%0.51929%0.286SS..EExtended strand (participates in β ladder)trans-56.9139.9171.7-175.2178.762.600111.2L85L85-Q104 HydrophobicContact CD1-CB 4.37Å; L85-Q104 HydrophobicContact CD2-CB 4.3Å
105Y97.3Very high91.6Very high43 Ų4355.9 Ų55.917%0.16927%0.274CS..  trans-80.1126.6171.3177.7-105.2000110.7L32 R42 L49 V51 R103 R107L32-Y105 HydrophobicContact CD1-CD2 4.26Å; L32-Y105 HydrophobicContact CD1-CE2 4.09Å; L32-Y105 HydrophobicContact CD2-CE2 4.45Å; R42-Y105 HydrophobicContact CG-CD2 4.03Å; R42-Y105 HydrophobicContact CG-CE2 4.36Å; R42-Y105 HydrophobicContact CG-CG 4.15Å; L49-Y105 HydrophobicContact CB-CD1 4.04Å; L49-Y105 HydrophobicContact CB-CG 4.24Å; L49-Y105 HydrophobicContact CD1-CD1 4.07Å; L49-Y105 HydrophobicContact CD1-CE1 4.47Å; L49-Y105 WeakPolarHBondContact O-CB 3.44Å; L49-Y105 PolarHBondContact O-N 3.35Å; V51-Y105 HydrophobicContact CG2-CD2 3.68Å; V51-Y105 HydrophobicContact CG2-CG 4.44Å; R103-Y105 PolarHBondContact O-N 2.91Å; Y105-R107 HydrophobicContact CE1-CB 4.17Å
106V96.9Very high92.9Very high15 Ų1554.9 Ų54.99%0.09126%0.264CS..  trans-115132.4166.7-1740000106.6L85 M155 V156 T157 L163L85-V106 HydrophobicContact CD2-CG2 4.15Å; V106-M155 HydrophobicContact CB-CB 3.75Å; V106-M155 HydrophobicContact CB-CG 4.07Å; V106-M155 HydrophobicContact CB-SD 4.39Å; V106-M155 HydrophobicContact CG1-CB 3.77Å; V106-M155 HydrophobicContact CG2-CB 4.04Å; V106-M155 HydrophobicContact CG2-CG 4.3Å; V106-V156 WeakPolarHBondContact CG1-O 3.31Å; V106-T157 HydrophobicContact CG1-CG2 4.47Å; V106-L163 HydrophobicContact CG2-CD1 3.94Å
107R93.9Very high94.3Very high173 Ų17363 Ų6365%0.65329%0.294SS*.SBendtrans-63.9-47.7-169.7-173.8-176.7-64.6111.8-0.2112.4Y105Y105-R107 HydrophobicContact CE1-CB 4.17Å
108D95.4Very high94.9Very high51 Ų5161 Ų6127%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-111.8135.4-168.4-53.7-55.7000110.2M155 V156D108-M155 WeakPolarHBondContact O-CA 3.37Å; D108-V156 PolarHBondContact O-N 3.33Å
109N97Very high95.3Very high32 Ų3266.6 Ų66.617%0.17132%0.32CS..EExtended strand (participates in β ladder)trans-95.2163.1162.765.956.6000109.2Y111 D112 R113 V154 M155N109-Y111 VanDerWaalsContact C-N 3.28Å; N109-Y111 PolarHBondContact O-N 3.06Å; N109-Y111 WeakPolarHBondContact OD1-CA 3.44Å; N109-Y111 VanDerWaalsContact OD1-CB 3.3Å; N109-Y111 WeakPolarHBondContact OD1-CB 3.41Å; N109-Y111 PolarHBondContact OD1-N 3.41Å; N109-Y111 VanDerWaalsContact OD1-N 3.09Å; N109-D112 PolarHBondContact ND2-OD2 3.47Å; N109-D112 PolarHBondContact O-N 3.36Å; N109-D112 PolarHBondContact OD1-N 3.16Å; N109-D112 PolarHBondContact OD1-OD2 2.79Å; N109-R113 WeakPolarHBondContact O-CB 3.39Å; N109-R113 PolarHBondContact O-N 2.94Å; N109-V154 CarbonylContact C-O 3.56Å; N109-V154 WeakPolarHBondContact CA-O 3.39Å; N109-M155 HydrophobicContact CB-CE 3.45Å; N109-M155 VanDerWaalsContact CB-CE 3.45Å; N109-M155 HydrophobicContact CB-SD 4.42Å
110L98.1Very high95.6Very high16 Ų1666.3 Ų66.38%0.08432%0.317CS..Hα-helixtrans-65.6-34.4-176.6-177.160.3000111.7D112 R113 I114 I128 I132 T151 V154 V156L110-D112 PolarHBondContact O-N 3.49Å; L110-R113 PolarHBondContact O-N 2.87Å; L110-I114 HydrophobicContact CD1-CG2 3.67Å; L110-I114 HydrophobicContact CG-CG2 4.1Å; L110-I114 WeakPolarHBondContact O-CG1 3.4Å; L110-I114 WeakPolarHBondContact O-CG2 3.39Å; L110-I114 PolarHBondContact O-N 3.44Å; L110-I128 HydrophobicContact CD1-CD1 4.37Å; L110-I128 HydrophobicContact CD1-CG2 3.93Å; L110-I128 HydrophobicContact CD2-CG2 4.06Å; L110-I132 HydrophobicContact CD2-CD1 3.79Å; L110-T151 WeakPolarHBondContact CB-O 3.15Å; L110-T151 HydrophobicContact CD2-CG2 4.14Å; L110-T151 HydrophobicContact CG-CG2 4.24Å; L110-T151 PolarHBondContact N-O 2.94Å; L110-V154 HydrophobicContact CB-CB 3.89Å; L110-V154 HydrophobicContact CB-CG1 3.93Å; L110-V154 HydrophobicContact CD2-CB 4.29Å; L110-V154 HydrophobicContact CD2-CG1 3.98Å; L110-V154 PolarHBondContact N-O 3.41Å; L110-V156 HydrophobicContact CB-CG2 3.98Å; L110-V156 HydrophobicContact CD1-CG2 4.03Å
111Y96.9Very high95.8Very high124 Ų12470.2 Ų70.249%0.48634%0.338SS..Hα-helixtrans-58.2-47.4179.2179.5-90.4000112.1N109 I114 T151 E152N109-Y111 VanDerWaalsContact C-N 3.28Å; N109-Y111 PolarHBondContact O-N 3.06Å; N109-Y111 WeakPolarHBondContact OD1-CA 3.44Å; N109-Y111 VanDerWaalsContact OD1-CB 3.3Å; N109-Y111 WeakPolarHBondContact OD1-CB 3.41Å; N109-Y111 PolarHBondContact OD1-N 3.41Å; N109-Y111 VanDerWaalsContact OD1-N 3.09Å; Y111-I114 WeakPolarHBondContact O-CG1 3.47Å; Y111-T151 PolarHBondContact N-O 2.97Å; Y111-E152 HydrophobicContact CG-CG 4.21Å
112D95.8Very high96Very high77 Ų7774 Ų7441%0.41236%0.358SS..Hα-helixtrans-74.7-39176.7-64.1-36.1000111.1N109 L110 I114 S115 T116N109-D112 PolarHBondContact ND2-OD2 3.47Å; N109-D112 PolarHBondContact O-N 3.36Å; N109-D112 PolarHBondContact OD1-N 3.16Å; N109-D112 PolarHBondContact OD1-OD2 2.79Å; L110-D112 PolarHBondContact O-N 3.49Å; D112-I114 PolarHBondContact O-N 2.97Å; D112-S115 PolarHBondContact O-N 3.47Å; D112-S115 VanDerWaalsContact O-N 3.13Å; D112-T116 PolarHBondContact O-N 3.42Å; D112-T116 VanDerWaalsContact O-N 3.13Å; D112-T116 PolarHBondContact O-OG1 2.97Å
113R96.1Very high96.1Very high32 Ų3279.5 Ų79.512%0.12139%0.386CS..Hα-helixtrans-62.7-40-176.6175.859.3-170100.7-8.7113.1N109 L110 S115 T116 P118 L120 V156N109-R113 WeakPolarHBondContact O-CB 3.39Å; N109-R113 PolarHBondContact O-N 2.94Å; L110-R113 PolarHBondContact O-N 2.87Å; R113-S115 PolarHBondContact O-N 2.81Å; R113-T116 PolarHBondContact NH1-O 3.4Å; R113-T116 PolarHBondContact O-N 3.42Å; R113-P118 PolarHBondContact NH1-O 3.24Å; R113-P118 PolarHBondContact NH2-O 2.81Å; R113-L120 HydrophobicContact CG-CD1 4.48Å; R113-L120 VanDerWaalsContact NH2-CD2 3.28Å; R113-V156 HydrophobicContact CG-CG1 4.36Å
114I95.6Very high96.2Very high84 Ų8481 Ų8143%0.43139%0.394SS..Hα-helixtrans-64.9-25.1178.860.1177000112.3L110 Y111 D112 L120L110-I114 HydrophobicContact CD1-CG2 3.67Å; L110-I114 HydrophobicContact CG-CG2 4.1Å; L110-I114 WeakPolarHBondContact O-CG1 3.4Å; L110-I114 WeakPolarHBondContact O-CG2 3.39Å; L110-I114 PolarHBondContact O-N 3.44Å; Y111-I114 WeakPolarHBondContact O-CG1 3.47Å; D112-I114 PolarHBondContact O-N 2.97Å; I114-L120 HydrophobicContact CG2-CD1 4.08Å
115S94.3Very high96.2Very high84 Ų8481.1 Ų81.159%0.58739%0.393SS*.Hα-helixtrans-93.9-10-178.9-560000112.8D112 R113D112-S115 PolarHBondContact O-N 3.47Å; D112-S115 VanDerWaalsContact O-N 3.13Å; R113-S115 PolarHBondContact O-N 2.81Å
116T94.3Very high96.3Very high71 Ų7186.8 Ų86.844%0.43641%0.414SS..SBendtrans-92.2137.1-176.6-59.90000111.4D112 R113 P118D112-T116 PolarHBondContact O-N 3.42Å; D112-T116 VanDerWaalsContact O-N 3.13Å; D112-T116 PolarHBondContact O-OG1 2.97Å; R113-T116 PolarHBondContact NH1-O 3.4Å; R113-T116 PolarHBondContact O-N 3.42Å; T116-P118 CarbonylContact O-C 3.39Å; T116-P118 VanDerWaalsContact O-O 3.1Å
117R94.6Very high96.4Very high203 Ų20391.4 Ų91.477%0.76643%0.43SS*.SBendtrans-80.3145.1174.5-69.6-172178.2-150.51.5111.5F119R117-F119 HydrophobicContact CG-CD1 4.44Å; R117-F119 HydrophobicContact CG-CD2 4.46Å; R117-F119 HydrophobicContact CG-CE1 4.03Å; R117-F119 HydrophobicContact CG-CE2 4.07Å; R117-F119 HydrophobicContact CG-CZ 3.84Å
118P93.9Very high96.6Very high105 Ų10583.4 Ų83.468%0.68240%0.4SS*.SBendcis-68.9140.7-5.429.8-34.6000111.6R113 T116R113-P118 PolarHBondContact NH1-O 3.24Å; R113-P118 PolarHBondContact NH2-O 2.81Å; T116-P118 CarbonylContact O-C 3.39Å; T116-P118 VanDerWaalsContact O-O 3.1Å
119F96.1Very high96.7Very high116 Ų11683.2 Ų83.251%0.50941%0.406SS..PPolyproline II helixtrans-64.8146.4178.5-61.4-55000110.4R117 N121R117-F119 HydrophobicContact CG-CD1 4.44Å; R117-F119 HydrophobicContact CG-CD2 4.46Å; R117-F119 HydrophobicContact CG-CE1 4.03Å; R117-F119 HydrophobicContact CG-CE2 4.07Å; R117-F119 HydrophobicContact CG-CZ 3.84Å; F119-N121 PolarHBondContact O-N 2.87Å
120L96.3Very high96.8Very high10 Ų1087.2 Ų87.25%0.05242%0.422CS..PPolyproline II helixtrans-62.1128.2176.2-65.1164.9000110.2R113 I114 E124 K125 I128R113-L120 HydrophobicContact CG-CD1 4.48Å; R113-L120 VanDerWaalsContact NH2-CD2 3.28Å; I114-L120 HydrophobicContact CG2-CD1 4.08Å; L120-E124 WeakPolarHBondContact CA-OE2 3.39Å; L120-E124 HydrophobicContact CB-CB 4.26Å; L120-E124 HydrophobicContact CD2-CB 3.78Å; L120-E124 HydrophobicContact CD2-CG 4.48Å; L120-K125 HydrophobicContact CB-CG 3.84Å; L120-K125 WeakPolarHBondContact O-CE 3.33Å; L120-I128 HydrophobicContact CD1-CD1 3.63Å; L120-I128 HydrophobicContact CD2-CD1 3.83Å; L120-I128 HydrophobicContact CG-CD1 4.39Å
121N97.1Very high96.8Very high82 Ų8286.6 Ų86.644%0.43942%0.418SS..PPolyproline II helixtrans-75172.7170.772.951000110.8F119 I123 E124 K125F119-N121 PolarHBondContact O-N 2.87Å; N121-I123 VanDerWaalsContact C-N 3.28Å; N121-I123 PolarHBondContact O-N 3.45Å; N121-I123 WeakPolarHBondContact OD1-CA 3.01Å; N121-I123 WeakPolarHBondContact OD1-CB 3.29Å; N121-I123 PolarHBondContact OD1-N 3.04Å; N121-E124 VanDerWaalsContact CG-OE2 3.31Å; N121-E124 PolarHBondContact N-OE2 3.31Å; N121-E124 PolarHBondContact ND2-OE2 3.36Å; N121-E124 VanDerWaalsContact ND2-OE2 3.14Å; N121-E124 PolarHBondContact O-N 2.98Å; N121-E124 PolarHBondContact OD1-N 3.11Å; N121-K125 WeakPolarHBondContact O-CG 3.44Å; N121-K125 PolarHBondContact O-N 2.81Å
122N97.9Very high96.9Very high104 Ų10482.4 Ų82.456%0.55640%0.404SS*.Hα-helixtrans-64.5-29.6-176.1-72.3-28.5000113.9R126N122-R126 WeakPolarHBondContact O-CG 3.3Å; N122-R126 PolarHBondContact O-N 3.43Å; N122-R126 PolarHBondContact O-NE 2.91Å
123I98.1Very high97Very high120 Ų12084.6 Ų84.662%0.61542%0.415SS*.Hα-helixtrans-72.1-46.7177.4-61.1172.5000109.5N121 K125 R126 W127N121-I123 VanDerWaalsContact C-N 3.28Å; N121-I123 PolarHBondContact O-N 3.45Å; N121-I123 WeakPolarHBondContact OD1-CA 3.01Å; N121-I123 WeakPolarHBondContact OD1-CB 3.29Å; N121-I123 PolarHBondContact OD1-N 3.04Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.12Å; I123-R126 PolarHBondContact O-N 2.81Å; I123-W127 WeakPolarHBondContact O-CB 3.38Å; I123-W127 PolarHBondContact O-N 3.38Å
124E97.6Very high97.2Very high49 Ų4984.5 Ų84.523%0.22942%0.418CS..Hα-helixtrans-61.8-41.2177.6-64.1172.5119.500111.9L120 N121 R126 W127 I128 N160L120-E124 WeakPolarHBondContact CA-OE2 3.39Å; L120-E124 HydrophobicContact CB-CB 4.26Å; L120-E124 HydrophobicContact CD2-CB 3.78Å; L120-E124 HydrophobicContact CD2-CG 4.48Å; N121-E124 VanDerWaalsContact CG-OE2 3.31Å; N121-E124 PolarHBondContact N-OE2 3.31Å; N121-E124 PolarHBondContact ND2-OE2 3.36Å; N121-E124 VanDerWaalsContact ND2-OE2 3.14Å; N121-E124 PolarHBondContact O-N 2.98Å; N121-E124 PolarHBondContact OD1-N 3.11Å; E124-R126 PolarHBondContact O-N 3.1Å; E124-W127 WeakPolarHBondContact O-CB 3.4Å; E124-W127 PolarHBondContact O-N 3.39Å; E124-I128 WeakPolarHBondContact O-CG1 3.3Å; E124-I128 PolarHBondContact O-N 3.17Å; E124-N160 PolarHBondContact OE1-ND2 3.19Å
125K97.9Very high97.3Very high113 Ų11380.5 Ų80.549%0.49140%0.398SS..Hα-helixtrans-58.9-46.7174.4-73.3172.2178.9168.20111.9L120 N121 I123 W127 I128 A129L120-K125 HydrophobicContact CB-CG 3.84Å; L120-K125 WeakPolarHBondContact O-CE 3.33Å; N121-K125 WeakPolarHBondContact O-CG 3.44Å; N121-K125 PolarHBondContact O-N 2.81Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.12Å; K125-W127 VanDerWaalsContact C-N 3.33Å; K125-I128 PolarHBondContact O-N 2.89Å; K125-A129 WeakPolarHBondContact O-CB 3.21Å; K125-A129 PolarHBondContact O-N 2.97Å
126R98.4Very high97.5Very high161 Ų16178 Ų7861%0.60838%0.379SS*.Hα-helixtrans-63.3-40.1176.3-77.4-174.2-72.8-103.74.7111.8N122 I123 E124 A129 F130N122-R126 WeakPolarHBondContact O-CG 3.3Å; N122-R126 PolarHBondContact O-N 3.43Å; N122-R126 PolarHBondContact O-NE 2.91Å; I123-R126 PolarHBondContact O-N 2.81Å; E124-R126 PolarHBondContact O-N 3.1Å; R126-A129 PolarHBondContact O-N 3.2Å; R126-F130 WeakPolarHBondContact O-CB 3.46Å; R126-F130 PolarHBondContact O-N 3.19Å
127W98Very high97.7Very high112 Ų11278.1 Ų78.142%0.42438%0.376SS..Hα-helixtrans-63.6-44.2177.3179-119.1000112.6I123 E124 K125 F130 Q131I123-W127 WeakPolarHBondContact O-CB 3.38Å; I123-W127 PolarHBondContact O-N 3.38Å; E124-W127 WeakPolarHBondContact O-CB 3.4Å; E124-W127 PolarHBondContact O-N 3.39Å; K125-W127 VanDerWaalsContact C-N 3.33Å; W127-F130 AromaticContact CE3-CD1 3.98Å; W127-F130 HydrophobicContact CE3-CD1 3.98Å; W127-F130 HydrophobicContact CH2-CD1 4.35Å; W127-F130 HydrophobicContact CH2-CE1 4.39Å; W127-F130 AromaticContact CZ3-CD1 3.64Å; W127-F130 HydrophobicContact CZ3-CD1 3.64Å; W127-F130 AromaticContact CZ3-CE1 3.9Å; W127-F130 HydrophobicContact CZ3-CE1 3.9Å; W127-F130 PolarHBondContact O-N 2.77Å; W127-Q131 HydrophobicContact CD2-CG 4.44Å; W127-Q131 HydrophobicContact CH2-CG 4.48Å; W127-Q131 HydrophobicContact CZ2-CG 4.11Å; W127-Q131 WeakPolarHBondContact O-CG 3.4Å; W127-Q131 PolarHBondContact O-N 3.38Å; W127-Q131 VanDerWaalsContact O-N 3.08Å; W127-Q131 PolarHBondContact O-NE2 2.82Å
128I98.4Very high97.9Very high6 Ų670.1 Ų70.13%0.03135%0.348CS..Hα-helixtrans-63.9-46.8175.1-72.4166.9000110.4L110 L120 E124 K125 F130 Q131 I132 N160 V162L110-I128 HydrophobicContact CD1-CD1 4.37Å; L110-I128 HydrophobicContact CD1-CG2 3.93Å; L110-I128 HydrophobicContact CD2-CG2 4.06Å; L120-I128 HydrophobicContact CD1-CD1 3.63Å; L120-I128 HydrophobicContact CD2-CD1 3.83Å; L120-I128 HydrophobicContact CG-CD1 4.39Å; E124-I128 WeakPolarHBondContact O-CG1 3.3Å; E124-I128 PolarHBondContact O-N 3.17Å; K125-I128 PolarHBondContact O-N 2.89Å; I128-F130 VanDerWaalsContact C-N 3.32Å; I128-F130 PolarHBondContact O-N 2.88Å; I128-Q131 PolarHBondContact O-N 3.35Å; I128-I132 HydrophobicContact CG2-CD1 3.89Å; I128-I132 HydrophobicContact CG2-CG1 4.45Å; I128-I132 WeakPolarHBondContact O-CG1 3.45Å; I128-I132 PolarHBondContact O-N 3.1Å; I128-N160 HydrophobicContact CD1-CB 4.39Å; I128-N160 HydrophobicContact CG1-CB 4.36Å; I128-V162 HydrophobicContact CB-CG2 4.3Å; I128-V162 HydrophobicContact CG1-CG2 4.25Å; I128-V162 HydrophobicContact CG2-CG2 3.91Å
129A98.4Very high98Very high47 Ų4765.2 Ų65.239%0.38832%0.316SS..Hα-helixtrans-59-43.6178.100000112K125 R126 Q131 I132 L133K125-A129 WeakPolarHBondContact O-CB 3.21Å; K125-A129 PolarHBondContact O-N 2.97Å; R126-A129 PolarHBondContact O-N 3.2Å; A129-Q131 PolarHBondContact O-N 3.13Å; A129-I132 PolarHBondContact O-N 2.9Å; A129-L133 WeakPolarHBondContact O-CG 3.45Å; A129-L133 PolarHBondContact O-N 2.9Å
130F98.6Very high98.1Very high116 Ų11664.6 Ų64.651%0.50932%0.315SS..Hα-helixtrans-57.9-46.4174.6171.2-100.3000112.2R126 W127 I128 L133 T134R126-F130 WeakPolarHBondContact O-CB 3.46Å; R126-F130 PolarHBondContact O-N 3.19Å; W127-F130 AromaticContact CE3-CD1 3.98Å; W127-F130 HydrophobicContact CE3-CD1 3.98Å; W127-F130 HydrophobicContact CH2-CD1 4.35Å; W127-F130 HydrophobicContact CH2-CE1 4.39Å; W127-F130 AromaticContact CZ3-CD1 3.64Å; W127-F130 HydrophobicContact CZ3-CD1 3.64Å; W127-F130 AromaticContact CZ3-CE1 3.9Å; W127-F130 HydrophobicContact CZ3-CE1 3.9Å; W127-F130 PolarHBondContact O-N 2.77Å; I128-F130 VanDerWaalsContact C-N 3.32Å; I128-F130 PolarHBondContact O-N 2.88Å; F130-L133 PolarHBondContact O-N 3.25Å; F130-T134 WeakPolarHBondContact O-CB 3.4Å; F130-T134 PolarHBondContact O-N 3.39Å; F130-T134 PolarHBondContact O-OG1 3.05Å
131Q98.7Very high98.1Very high3 Ų371.7 Ų71.71%0.01435%0.345CS..Hα-helixtrans-68-34.5179-68.1173.686.800112.8W127 I128 A129 T134 A135 N160 W161 V162W127-Q131 HydrophobicContact CD2-CG 4.44Å; W127-Q131 HydrophobicContact CH2-CG 4.48Å; W127-Q131 HydrophobicContact CZ2-CG 4.11Å; W127-Q131 WeakPolarHBondContact O-CG 3.4Å; W127-Q131 PolarHBondContact O-N 3.38Å; W127-Q131 VanDerWaalsContact O-N 3.08Å; W127-Q131 PolarHBondContact O-NE2 2.82Å; I128-Q131 PolarHBondContact O-N 3.35Å; A129-Q131 PolarHBondContact O-N 3.13Å; Q131-T134 CarbonylContact O-C 3.47Å; Q131-T134 WeakPolarHBondContact O-CB 3.46Å; Q131-T134 PolarHBondContact O-N 3.41Å; Q131-A135 PolarHBondContact O-N 3.3Å; Q131-N160 PolarHBondContact NE2-O 3.22Å; Q131-W161 VanDerWaalsContact OE1-CE3 3.29Å; Q131-V162 HydrophobicContact CB-CB 3.71Å; Q131-V162 HydrophobicContact CB-CG1 4.45Å; Q131-V162 HydrophobicContact CB-CG2 3.93Å
132I98.7Very high98.1Very high35 Ų3569.3 Ų69.318%0.17934%0.335CS..Hα-helixtrans-62.1-47.6173.6-66165.9000110.1L110 I128 A129 T134 A135 V136 V154 V162L110-I132 HydrophobicContact CD2-CD1 3.79Å; I128-I132 HydrophobicContact CG2-CD1 3.89Å; I128-I132 HydrophobicContact CG2-CG1 4.45Å; I128-I132 WeakPolarHBondContact O-CG1 3.45Å; I128-I132 PolarHBondContact O-N 3.1Å; A129-I132 PolarHBondContact O-N 2.9Å; I132-T134 VanDerWaalsContact C-N 3.25Å; I132-T134 PolarHBondContact O-N 2.96Å; I132-A135 WeakPolarHBondContact O-CB 3.36Å; I132-A135 PolarHBondContact O-N 2.94Å; I132-V136 WeakPolarHBondContact O-CG2 3.4Å; I132-V136 PolarHBondContact O-N 3.17Å; I132-V154 HydrophobicContact CD1-CG1 4.08Å; I132-V154 HydrophobicContact CD1-CG2 4.46Å; I132-V154 HydrophobicContact CG1-CG1 4Å; I132-V154 HydrophobicContact CG1-CG2 4.5Å; I132-V162 HydrophobicContact CG1-CG1 3.92Å
133L98.6Very high97.9Very high123 Ų12365.3 Ų65.364%0.64432%0.318SS*.Hα-helixtrans-60.8-38.2175.5-67.2172.1000111.5A129 F130 V136 D137A129-L133 WeakPolarHBondContact O-CG 3.45Å; A129-L133 PolarHBondContact O-N 2.9Å; F130-L133 PolarHBondContact O-N 3.25Å; L133-V136 PolarHBondContact O-N 3.46Å; L133-D137 WeakPolarHBondContact O-CB 3.49Å; L133-D137 PolarHBondContact O-N 3.03Å
134T98.6Very high97.7Very high31 Ų3159.8 Ų59.819%0.1929%0.29CS..Hα-helixtrans-64.9-41.9175.9-57.50000111.7F130 Q131 I132 V136 D137 Q138F130-T134 WeakPolarHBondContact O-CB 3.4Å; F130-T134 PolarHBondContact O-N 3.39Å; F130-T134 PolarHBondContact O-OG1 3.05Å; Q131-T134 CarbonylContact O-C 3.47Å; Q131-T134 WeakPolarHBondContact O-CB 3.46Å; Q131-T134 PolarHBondContact O-N 3.41Å; I132-T134 VanDerWaalsContact C-N 3.25Å; I132-T134 PolarHBondContact O-N 2.96Å; T134-V136 VanDerWaalsContact C-N 3.31Å; T134-V136 PolarHBondContact O-N 3.08Å; T134-D137 PolarHBondContact O-N 2.8Å; T134-Q138 HydrophobicContact CG2-CG 4.38Å; T134-Q138 WeakPolarHBondContact O-CB 3.38Å; T134-Q138 WeakPolarHBondContact O-CG 3.39Å; T134-Q138 PolarHBondContact O-N 2.8Å
135A98.5Very high97.5Very high0 Ų065.4 Ų65.40%031%0.309CS..Hα-helixtrans-59.9-42.9174.300000111.6N83 C84 Q131 I132 Q138 A139 L164N83-A135 HydrophobicContact CB-CB 3.57Å; N83-A135 WeakPolarHBondContact O-CB 3.41Å; C84-A135 PolarHBondContact SG-O 3.47Å; C84-A135 VanDerWaalsContact SG-O 3.41Å; Q131-A135 PolarHBondContact O-N 3.3Å; I132-A135 WeakPolarHBondContact O-CB 3.36Å; I132-A135 PolarHBondContact O-N 2.94Å; A135-Q138 PolarHBondContact O-N 3.27Å; A135-A139 WeakPolarHBondContact O-CB 3.34Å; A135-A139 PolarHBondContact O-N 3.29Å; A135-L164 HydrophobicContact CB-CB 3.92Å; A135-L164 HydrophobicContact CB-CD2 4.07Å
136V98.2Very high97.4Very high31 Ų3160.3 Ų60.319%0.18829%0.287CS..Hα-helixtrans-64.8-46.7177.4174.60000111.1I132 L133 T134 A139 H140 I149 L164I132-V136 WeakPolarHBondContact O-CG2 3.4Å; I132-V136 PolarHBondContact O-N 3.17Å; L133-V136 PolarHBondContact O-N 3.46Å; T134-V136 VanDerWaalsContact C-N 3.31Å; T134-V136 PolarHBondContact O-N 3.08Å; V136-A139 PolarHBondContact O-N 3.47Å; V136-H140 WeakPolarHBondContact CG1-CE1 3.45Å; V136-H140 WeakPolarHBondContact O-CB 3.21Å; V136-H140 PolarHBondContact O-CD2 2.95Å; V136-H140 PolarHBondContact O-N 2.96Å; V136-I149 HydrophobicContact CG2-CD1 3.59Å; V136-L164 HydrophobicContact CG2-CD2 4.49Å
137D98.5Very high97Very high73 Ų7354.8 Ų54.839%0.3928%0.28SS..Hα-helixtrans-60.3-45.7176.1176.163.7000112L133 T134 A139 H140 K141L133-D137 WeakPolarHBondContact O-CB 3.49Å; L133-D137 PolarHBondContact O-N 3.03Å; T134-D137 PolarHBondContact O-N 2.8Å; D137-A139 PolarHBondContact O-N 2.96Å; D137-H140 PolarHBondContact O-N 2.81Å; D137-K141 WeakPolarHBondContact O-CB 3.31Å; D137-K141 WeakPolarHBondContact O-CG 3.33Å; D137-K141 PolarHBondContact O-N 2.97Å; D137-K141 WeakPolarHBondContact OD1-CE 3.31Å; D137-K141 IonicContact OD1-NZ 3.76Å; D137-K141 VanDerWaalsContact OD2-CE 3.22Å; D137-K141 WeakPolarHBondContact OD2-CE 3.25Å; D137-K141 IonicContact OD2-NZ 3.91Å; D137-K141 PolarHBondContact OD2-NZ 3.49Å
138Q98.3Very high96.7Very high36 Ų3652.1 Ų52.117%0.16827%0.274CS..Hα-helixtrans-58.3-49.2175.3-73.1169.55.700111.6A81 Q82 N83 T134 A135 H140 K141 S142A81-Q138 HydrophobicContact CB-CB 3.77Å; Q82-Q138 VanDerWaalsContact N-OE1 3.13Å; N83-Q138 PolarHBondContact OD1-NE2 2.99Å; N83-Q138 VanDerWaalsContact OD1-NE2 3.13Å; T134-Q138 HydrophobicContact CG2-CG 4.38Å; T134-Q138 WeakPolarHBondContact O-CB 3.38Å; T134-Q138 WeakPolarHBondContact O-CG 3.39Å; T134-Q138 PolarHBondContact O-N 2.8Å; A135-Q138 PolarHBondContact O-N 3.27Å; Q138-H140 PolarHBondContact O-N 3.09Å; Q138-K141 PolarHBondContact O-N 2.88Å; Q138-S142 PolarHBondContact O-N 2.92Å; Q138-S142 VanDerWaalsContact O-N 3.14Å; Q138-S142 PolarHBondContact O-OG 3.38Å
139A97.3Very high96.6Very high2 Ų256.1 Ų56.12%0.01730%0.295CS..Hα-helixtrans-60.9-44.4177.800000111.8L78 A135 V136 D137 S142 G143 V144 F167L78-A139 HydrophobicContact CD2-CB 3.97Å; A135-A139 WeakPolarHBondContact O-CB 3.34Å; A135-A139 PolarHBondContact O-N 3.29Å; V136-A139 PolarHBondContact O-N 3.47Å; D137-A139 PolarHBondContact O-N 2.96Å; A139-S142 CarbonylContact O-C 3.59Å; A139-S142 WeakPolarHBondContact O-CA 3.46Å; A139-S142 WeakPolarHBondContact O-CB 3.47Å; A139-S142 PolarHBondContact O-N 3.17Å; A139-G143 PolarHBondContact O-N 2.84Å; A139-G143 VanDerWaalsContact O-N 3.14Å; A139-V144 CarbonylContact C-O 3.55Å; A139-V144 HydrophobicContact CB-CB 4.48Å; A139-V144 PolarHBondContact O-N 2.75Å; A139-V144 VanDerWaalsContact O-O 3.09Å; A139-F167 HydrophobicContact CB-CE1 3.91Å; A139-F167 HydrophobicContact CB-CZ 4.34Å
140H96.9Very high96.5Very high102 Ų10257.9 Ų57.947%0.47229%0.294SS..Hα-helixtrans-65.1-38.5179.3-72.7179000112.9V136 D137 Q138 S142 G143 V144V136-H140 WeakPolarHBondContact CG1-CE1 3.45Å; V136-H140 WeakPolarHBondContact O-CB 3.21Å; V136-H140 PolarHBondContact O-CD2 2.95Å; V136-H140 PolarHBondContact O-N 2.96Å; D137-H140 PolarHBondContact O-N 2.81Å; Q138-H140 PolarHBondContact O-N 3.09Å; H140-S142 VanDerWaalsContact C-N 3.26Å; H140-S142 PolarHBondContact O-N 3.46Å; H140-G143 VanDerWaalsContact O-CA 3.25Å; H140-G143 WeakPolarHBondContact O-CA 3.36Å; H140-G143 PolarHBondContact O-N 2.84Å; H140-V144 PolarHBondContact CD2-O 2.78Å
141K97.7Very high96.4Very high160 Ų16054.8 Ų54.870%0.69628%0.284SS*.Hα-helixtrans-62-35.3172.9-78.1170.9174.9164.70112.2D137 Q138 G143D137-K141 WeakPolarHBondContact O-CB 3.31Å; D137-K141 WeakPolarHBondContact O-CG 3.33Å; D137-K141 PolarHBondContact O-N 2.97Å; D137-K141 WeakPolarHBondContact OD1-CE 3.31Å; D137-K141 IonicContact OD1-NZ 3.76Å; D137-K141 VanDerWaalsContact OD2-CE 3.22Å; D137-K141 WeakPolarHBondContact OD2-CE 3.25Å; D137-K141 IonicContact OD2-NZ 3.91Å; D137-K141 PolarHBondContact OD2-NZ 3.49Å; Q138-K141 PolarHBondContact O-N 2.88Å; K141-G143 PolarHBondContact O-N 3.21Å
142S95.8Very high96.3Very high31 Ų3158.5 Ų58.522%0.21730%0.301CS..THydrogen-bonded Turntrans-77.82.2170-64.90000113.4R77 Q138 A139 H140 V144R77-S142 PolarHBondContact NE-O 3.18Å; R77-S142 PolarHBondContact NH2-O 2.77Å; R77-S142 WeakPolarHBondContact O-CB 3.21Å; R77-S142 PolarHBondContact O-OG 2.79Å; Q138-S142 PolarHBondContact O-N 2.92Å; Q138-S142 VanDerWaalsContact O-N 3.14Å; Q138-S142 PolarHBondContact O-OG 3.38Å; A139-S142 CarbonylContact O-C 3.59Å; A139-S142 WeakPolarHBondContact O-CA 3.46Å; A139-S142 WeakPolarHBondContact O-CB 3.47Å; A139-S142 PolarHBondContact O-N 3.17Å; H140-S142 VanDerWaalsContact C-N 3.26Å; H140-S142 PolarHBondContact O-N 3.46Å; S142-V144 VanDerWaalsContact C-N 3.28Å; S142-V144 PolarHBondContact O-N 3.32Å
143G94.4Very high96.2Very high21 Ų2157.5 Ų57.522%0.21630%0.296CS..THydrogen-bonded Turntrans71.712.8-17900000115R77 A139 H140 K141 R145R77-G143 PolarHBondContact NH2-O 3.01Å; A139-G143 PolarHBondContact O-N 2.84Å; A139-G143 VanDerWaalsContact O-N 3.14Å; H140-G143 VanDerWaalsContact O-CA 3.25Å; H140-G143 WeakPolarHBondContact O-CA 3.36Å; H140-G143 PolarHBondContact O-N 2.84Å; K141-G143 PolarHBondContact O-N 3.21Å; G143-R145 PolarHBondContact O-NH1 2.78Å
144V94.9Very high96.1Very high3 Ų351.8 Ų51.82%0.01827%0.267CS..  trans-95134-178.4176.20000109L74 R77 L78 A139 H140 S142 F167L74-V144 HydrophobicContact CD1-CG1 3.59Å; L74-V144 HydrophobicContact CD1-CG2 4.49Å; L74-V144 HydrophobicContact CG-CG1 4.45Å; R77-V144 HydrophobicContact CB-CG2 3.97Å; L78-V144 HydrophobicContact CD1-CG1 4.3Å; L78-V144 HydrophobicContact CD2-CB 4.13Å; L78-V144 HydrophobicContact CD2-CG1 4.4Å; L78-V144 HydrophobicContact CD2-CG2 4.21Å; L78-V144 HydrophobicContact CG-CG2 4.29Å; A139-V144 CarbonylContact C-O 3.55Å; A139-V144 HydrophobicContact CB-CB 4.48Å; A139-V144 PolarHBondContact O-N 2.75Å; A139-V144 VanDerWaalsContact O-O 3.09Å; H140-V144 PolarHBondContact CD2-O 2.78Å; S142-V144 VanDerWaalsContact C-N 3.28Å; S142-V144 PolarHBondContact O-N 3.32Å; V144-F167 HydrophobicContact CG1-CD1 3.73Å; V144-F167 HydrophobicContact CG1-CE1 4.04Å
145R93.4Very high96.1Very high168 Ų16850.8 Ų50.863%0.63426%0.26SS*.  trans-109137.9171.7-70.578.9173.3176.3-3.2108.3G143G143-R145 PolarHBondContact O-NH1 2.78Å
146H94Very high96.1Very high6 Ų650.8 Ų50.83%0.02826%0.26CS..  trans-72.6-43.1-176.5-172.6-64.6000114D148 I149 L164 T165 D166 F167 A168H146-D148 VanDerWaalsContact C-N 3.28Å; H146-D148 PolarHBondContact CE1-O 3.45Å; H146-D148 VanDerWaalsContact ND1-C 3.3Å; H146-D148 PolarHBondContact ND1-N 3.21Å; H146-D148 PolarHBondContact ND1-O 3.18Å; H146-D148 PolarHBondContact O-N 2.88Å; H146-I149 HydrophobicContact CB-CD1 4.11Å; H146-I149 HydrophobicContact CB-CG1 3.71Å; H146-L164 HydrophobicContact CB-CD2 4.5Å; H146-L164 WeakPolarHBondContact CD2-CD2 3.23Å; H146-L164 WeakPolarHBondContact CD2-CG 3.44Å; H146-T165 PolarHBondContact CE1-O 3.32Å; H146-T165 PolarHBondContact NE2-O 3.48Å; H146-D166 PolarHBondContact CE1-O 2.86Å; H146-F167 HydrophobicContact CB-CD1 4.09Å; H146-F167 HydrophobicContact CB-CE1 4.11Å; H146-F167 AromaticContact CD2-CD1 3.8Å; H146-F167 AromaticContact CD2-CE1 3.77Å; H146-F167 AromaticContact CD2-CG 3.94Å; H146-F167 AromaticContact CD2-CZ 3.89Å; H146-A168 CarbonylContact O-C 3.54Å; H146-A168 PolarHBondContact O-N 3.24Å
147G91.3Very high96Very high44 Ų4450.6 Ų50.645%0.45426%0.259SS..SBendtrans76.2-5.2176.200000117.6
148D92.2Very high95.6Very high57 Ų5751.8 Ų51.831%0.30527%0.273SS..  trans-158.350.4-176.3-168.840000111.8H146 K150 N153 A168H146-D148 VanDerWaalsContact C-N 3.28Å; H146-D148 PolarHBondContact CE1-O 3.45Å; H146-D148 VanDerWaalsContact ND1-C 3.3Å; H146-D148 PolarHBondContact ND1-N 3.21Å; H146-D148 PolarHBondContact ND1-O 3.18Å; H146-D148 PolarHBondContact O-N 2.88Å; D148-K150 PolarHBondContact O-N 2.99Å; D148-K150 IonicContact OD1-NZ 2.67Å; D148-K150 IonicContact OD2-NZ 3.51Å; D148-K150 PolarHBondContact OD2-NZ 2.89Å; D148-N153 PolarHBondContact O-ND2 3.43Å; D148-N153 PolarHBondContact OD2-ND2 3.13Å; D148-A168 HydrophobicContact CB-CB 4.02Å
149I95.6Very high95.4Very high90 Ų9059 Ų5946%0.46230%0.299SS..  trans-74.6117.2178.9-59.5175.9000108.8V136 H146V136-I149 HydrophobicContact CG2-CD1 3.59Å; H146-I149 HydrophobicContact CB-CD1 4.11Å; H146-I149 HydrophobicContact CB-CG1 3.71Å
150K95.8Very high95.3Very high84 Ų8459.7 Ų59.737%0.36530%0.302SS..  trans-152.6161.8174.963.2-172.9-178.9-137.70109.6D148 E152 N153 V154D148-K150 PolarHBondContact O-N 2.99Å; D148-K150 IonicContact OD1-NZ 2.67Å; D148-K150 IonicContact OD2-NZ 3.51Å; D148-K150 PolarHBondContact OD2-NZ 2.89Å; K150-E152 HydrophobicContact CG-CB 4.3Å; K150-E152 PolarHBondContact O-N 3.25Å; K150-E152 VanDerWaalsContact O-N 3.11Å; K150-N153 HydrophobicContact CG-CB 4.21Å; K150-N153 PolarHBondContact O-N 3.09Å; K150-V154 PolarHBondContact O-N 3.29Å
151T97.3Very high95.3Very high50 Ų5058.6 Ų58.631%0.30729%0.294SS..G310 helixtrans-57.9-26.5-175.438.90000114.3L110 Y111 V154L110-T151 WeakPolarHBondContact CB-O 3.15Å; L110-T151 HydrophobicContact CD2-CG2 4.14Å; L110-T151 HydrophobicContact CG-CG2 4.24Å; L110-T151 PolarHBondContact N-O 2.94Å; Y111-T151 PolarHBondContact N-O 2.97Å; T151-V154 PolarHBondContact O-N 3.13Å
152E95.4Very high95.3Very high81 Ų8151 Ų5138%0.37926%0.261SS..G310 helixtrans-77.4-22.2179.3-5892.2126.400112.4Y111 K150 M155Y111-E152 HydrophobicContact CG-CG 4.21Å; K150-E152 HydrophobicContact CG-CB 4.3Å; K150-E152 PolarHBondContact O-N 3.25Å; K150-E152 VanDerWaalsContact O-N 3.11Å; E152-M155 WeakPolarHBondContact O-CE 3.3Å
153N96.6Very high95.5Very high14 Ų1450.3 Ų50.38%0.07526%0.255CS..G310 helixtrans-97.73.5175.4-69.9-12.8000112D148 K150 T165D148-N153 PolarHBondContact O-ND2 3.43Å; D148-N153 PolarHBondContact OD2-ND2 3.13Å; K150-N153 HydrophobicContact CG-CB 4.21Å; K150-N153 PolarHBondContact O-N 3.09Å; N153-T165 PolarHBondContact O-N 2.83Å; N153-T165 PolarHBondContact O-OG1 3.25Å
154V98.3Very high95.7Very high3 Ų349.4 Ų49.42%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-103.9104.7174.2179.30000107.6N109 L110 I132 K150 T151 V162 L164N109-V154 CarbonylContact C-O 3.56Å; N109-V154 WeakPolarHBondContact CA-O 3.39Å; L110-V154 HydrophobicContact CB-CB 3.89Å; L110-V154 HydrophobicContact CB-CG1 3.93Å; L110-V154 HydrophobicContact CD2-CB 4.29Å; L110-V154 HydrophobicContact CD2-CG1 3.98Å; L110-V154 PolarHBondContact N-O 3.41Å; I132-V154 HydrophobicContact CD1-CG1 4.08Å; I132-V154 HydrophobicContact CD1-CG2 4.46Å; I132-V154 HydrophobicContact CG1-CG1 4Å; I132-V154 HydrophobicContact CG1-CG2 4.5Å; K150-V154 PolarHBondContact O-N 3.29Å; T151-V154 PolarHBondContact O-N 3.13Å; V154-V162 HydrophobicContact CG1-CG1 3.65Å; V154-L164 HydrophobicContact CG2-CD1 3.97Å
155M98.3Very high95.8Very high10 Ų1049.3 Ų49.35%0.04924%0.244CC..EExtended strand (participates in β ladder)trans-82.3146.4175.6-52.7-65.792.500110.4V106 D108 N109 E152 V162 L163 T165V106-M155 HydrophobicContact CB-CB 3.75Å; V106-M155 HydrophobicContact CB-CG 4.07Å; V106-M155 HydrophobicContact CB-SD 4.39Å; V106-M155 HydrophobicContact CG1-CB 3.77Å; V106-M155 HydrophobicContact CG2-CB 4.04Å; V106-M155 HydrophobicContact CG2-CG 4.3Å; D108-M155 WeakPolarHBondContact O-CA 3.37Å; N109-M155 HydrophobicContact CB-CE 3.45Å; N109-M155 VanDerWaalsContact CB-CE 3.45Å; N109-M155 HydrophobicContact CB-SD 4.42Å; E152-M155 WeakPolarHBondContact O-CE 3.3Å; M155-V162 WeakPolarHBondContact O-CA 3.4Å; M155-L163 HydrophobicContact CB-CB 4.22Å; M155-L163 WeakPolarHBondContact CB-O 3.41Å; M155-L163 PolarHBondContact N-O 2.81Å; M155-L163 PolarHBondContact O-N 2.96Å; M155-T165 HydrophobicContact CG-CG2 3.43Å; M155-T165 VanDerWaalsContact CG-CG2 3.43Å
156V97.6Very high95.7Very high1 Ų142.2 Ų42.21%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-131.1128.2-179.1-170.80000109.3V106 D108 L110 R113 W161V106-V156 WeakPolarHBondContact CG1-O 3.31Å; D108-V156 PolarHBondContact O-N 3.33Å; L110-V156 HydrophobicContact CB-CG2 3.98Å; L110-V156 HydrophobicContact CD1-CG2 4.03Å; R113-V156 HydrophobicContact CG-CG1 4.36Å; V156-W161 WeakPolarHBondContact CA-O 3.35Å
157T95.7Very high95.7Very high26 Ų2642.6 Ų42.616%0.1622%0.221CC..  trans-82.2172.6175740000111.7V106 W159 N160 W161V106-T157 HydrophobicContact CG1-CG2 4.47Å; T157-W159 PolarHBondContact O-N 2.67Å; T157-W159 VanDerWaalsContact O-N 3.13Å; T157-W159 PolarHBondContact OG1-N 2.66Å; T157-W159 PolarHBondContact OG1-NE1 2.78Å; T157-N160 PolarHBondContact O-N 3.39Å; T157-W161 HydrophobicContact CG2-CB 4Å; T157-W161 PolarHBondContact N-O 2.95Å; T157-W161 VanDerWaalsContact OG1-CB 3.31Å; T157-W161 WeakPolarHBondContact OG1-CB 3.4Å; T157-W161 PolarHBondContact OG1-N 2.85Å; T157-W161 VanDerWaalsContact OG1-N 3.11Å
158S91.9Very high95Very high98 Ų9842.1 Ų42.169%0.68521%0.212SC*.THydrogen-bonded Turntrans-62.3-18176.950.40000114.8
159W92.5Very high93.5Very high187 Ų18742.1 Ų42.171%0.70822%0.217SC*.THydrogen-bonded Turntrans-106.124.3174.256.272.5000112.4T157 W161T157-W159 PolarHBondContact O-N 2.67Å; T157-W159 VanDerWaalsContact O-N 3.13Å; T157-W159 PolarHBondContact OG1-N 2.66Å; T157-W159 PolarHBondContact OG1-NE1 2.78Å; W159-W161 VanDerWaalsContact C-N 3.26Å; W159-W161 VanDerWaalsContact NE1-CB 3.26Å; W159-W161 PolarHBondContact O-N 3.3Å
160N95.1Very high91.6Very high18 Ų1842 Ų4210%0.09621%0.213CC..  trans59.628.5179.5-59.9-36.9000114.3E124 I128 Q131 T157E124-N160 PolarHBondContact OE1-ND2 3.19Å; I128-N160 HydrophobicContact CD1-CB 4.39Å; I128-N160 HydrophobicContact CG1-CB 4.36Å; Q131-N160 PolarHBondContact NE2-O 3.22Å; T157-N160 PolarHBondContact O-N 3.39Å
161W97.7Very high89.1Confident78 Ų7845.2 Ų45.230%0.29523%0.227SC..  trans-78135.6169.7-174.1-96.8000110.4Q82 N83 Q131 V156 T157 W159Q82-W161 HydrophobicContact CB-CZ2 4.29Å; N83-W161 VanDerWaalsContact ND2-CZ2 3.3Å; N83-W161 WeakPolarHBondContact ND2-CZ2 3.15Å; Q131-W161 VanDerWaalsContact OE1-CE3 3.29Å; V156-W161 WeakPolarHBondContact CA-O 3.35Å; T157-W161 HydrophobicContact CG2-CB 4Å; T157-W161 PolarHBondContact N-O 2.95Å; T157-W161 VanDerWaalsContact OG1-CB 3.31Å; T157-W161 WeakPolarHBondContact OG1-CB 3.4Å; T157-W161 PolarHBondContact OG1-N 2.85Å; T157-W161 VanDerWaalsContact OG1-N 3.11Å; W159-W161 VanDerWaalsContact C-N 3.26Å; W159-W161 VanDerWaalsContact NE1-CB 3.26Å; W159-W161 PolarHBondContact O-N 3.3Å
162V98.4Very high86.3Confident0 Ų046.8 Ų46.80%024%0.238CC..EExtended strand (participates in β ladder)trans-100.3132.5-176.4170.70000111.2N83 I128 Q131 I132 V154 M155N83-V162 PolarHBondContact ND2-O 3.31Å; I128-V162 HydrophobicContact CB-CG2 4.3Å; I128-V162 HydrophobicContact CG1-CG2 4.25Å; I128-V162 HydrophobicContact CG2-CG2 3.91Å; Q131-V162 HydrophobicContact CB-CB 3.71Å; Q131-V162 HydrophobicContact CB-CG1 4.45Å; Q131-V162 HydrophobicContact CB-CG2 3.93Å; I132-V162 HydrophobicContact CG1-CG1 3.92Å; V154-V162 HydrophobicContact CG1-CG1 3.65Å; M155-V162 WeakPolarHBondContact O-CA 3.4Å
163L98.6Very high83.5Confident18 Ų1849.7 Ų49.79%0.09426%0.262CS..EExtended strand (participates in β ladder)trans-127113.6170.8-63.1166.9000109Q82 N83 L85 V106 M155Q82-L163 WeakPolarHBondContact O-CD2 3.46Å; N83-L163 CarbonylContact O-C 3.57Å; N83-L163 WeakPolarHBondContact O-CA 3.48Å; L85-L163 HydrophobicContact CB-CB 4.03Å; L85-L163 HydrophobicContact CB-CD2 4.46Å; L85-L163 HydrophobicContact CD2-CD1 4.2Å; V106-L163 HydrophobicContact CG2-CD1 3.94Å; M155-L163 HydrophobicContact CB-CB 4.22Å; M155-L163 WeakPolarHBondContact CB-O 3.41Å; M155-L163 PolarHBondContact N-O 2.81Å; M155-L163 PolarHBondContact O-N 2.96Å
164L98.3Very high80.8Confident2 Ų260.3 Ų60.31%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-78.3123.9174.1-174.263.5000109.3N83 L85 A135 V136 H146 V154 F167N83-L164 PolarHBondContact O-N 3.29Å; L85-L164 PolarHBondContact N-O 3.11Å; A135-L164 HydrophobicContact CB-CB 3.92Å; A135-L164 HydrophobicContact CB-CD2 4.07Å; V136-L164 HydrophobicContact CG2-CD2 4.49Å; H146-L164 HydrophobicContact CB-CD2 4.5Å; H146-L164 WeakPolarHBondContact CD2-CD2 3.23Å; H146-L164 WeakPolarHBondContact CD2-CG 3.44Å; V154-L164 HydrophobicContact CG2-CD1 3.97Å; L164-F167 HydrophobicContact CD2-CZ 4.08Å; L164-F167 HydrophobicContact CG-CE2 4.42Å; L164-F167 HydrophobicContact CG-CZ 4.27Å; L164-F167 WeakPolarHBondContact O-CE2 3.5Å
165T96.9Very high79.9Confident0 Ų063.2 Ų63.20%032%0.317CS..EExtended strand (participates in β ladder)trans-121.9171.3-174.361.60000112.3L85 R103 H146 N153 M155 F167L85-T165 HydrophobicContact CB-CG2 3.8Å; L85-T165 HydrophobicContact CD2-CG2 3.85Å; L85-T165 HydrophobicContact CG-CG2 4.07Å; R103-T165 PolarHBondContact NH2-OG1 2.99Å; H146-T165 PolarHBondContact CE1-O 3.32Å; H146-T165 PolarHBondContact NE2-O 3.48Å; N153-T165 PolarHBondContact O-N 2.83Å; N153-T165 PolarHBondContact O-OG1 3.25Å; M155-T165 HydrophobicContact CG-CG2 3.43Å; M155-T165 VanDerWaalsContact CG-CG2 3.43Å; T165-F167 PolarHBondContact O-N 2.79Å
166D92.6Very high78.9Confident19 Ų1965.9 Ų65.910%0.10233%0.331CS..  trans63.444.3168.3-59-72.1000113.1K53 F87 R103 H146 A168K53-D166 VanDerWaalsContact CE-OD1 3.32Å; K53-D166 WeakPolarHBondContact CE-OD1 3.46Å; K53-D166 IonicContact NZ-OD1 3.84Å; K53-D166 PolarHBondContact NZ-OD1 3.13Å; F87-D166 WeakPolarHBondContact CZ-OD1 3.11Å; R103-D166 IonicContact NE-OD2 2.74Å; R103-D166 IonicContact NH2-OD2 3.05Å; R103-D166 PolarHBondContact NH2-OD2 3.42Å; H146-D166 PolarHBondContact CE1-O 2.86Å; D166-A168 PolarHBondContact O-N 3.14Å; D166-A168 VanDerWaalsContact O-N 3.13Å
167F92.8Very high77.9Confident15 Ų1569.6 Ų69.67%0.06635%0.349CS..  trans-53.3116.2171.5-75.2-100.9000110.6L74 L78 C84 A139 V144 H146 L164 T165L74-F167 HydrophobicContact CD1-CB 4.04Å; L74-F167 HydrophobicContact CD1-CG 4.49Å; L74-F167 HydrophobicContact CD2-CB 3.84Å; L74-F167 HydrophobicContact CD2-CG 4.24Å; L78-F167 HydrophobicContact CD1-CD1 4.04Å; L78-F167 HydrophobicContact CD1-CD2 4.05Å; L78-F167 HydrophobicContact CD1-CE1 3.85Å; L78-F167 HydrophobicContact CD1-CE2 3.85Å; L78-F167 HydrophobicContact CD1-CG 4.15Å; L78-F167 HydrophobicContact CD1-CZ 3.77Å; C84-F167 HydrophobicContact CB-CE2 3.99Å; C84-F167 HydrophobicContact CB-CZ 3.85Å; A139-F167 HydrophobicContact CB-CE1 3.91Å; A139-F167 HydrophobicContact CB-CZ 4.34Å; V144-F167 HydrophobicContact CG1-CD1 3.73Å; V144-F167 HydrophobicContact CG1-CE1 4.04Å; H146-F167 HydrophobicContact CB-CD1 4.09Å; H146-F167 HydrophobicContact CB-CE1 4.11Å; H146-F167 AromaticContact CD2-CD1 3.8Å; H146-F167 AromaticContact CD2-CE1 3.77Å; H146-F167 AromaticContact CD2-CG 3.94Å; H146-F167 AromaticContact CD2-CZ 3.89Å; L164-F167 HydrophobicContact CD2-CZ 4.08Å; L164-F167 HydrophobicContact CG-CE2 4.42Å; L164-F167 HydrophobicContact CG-CZ 4.27Å; L164-F167 WeakPolarHBondContact O-CE2 3.5Å; T165-F167 PolarHBondContact O-N 2.79Å
168A77.6Confident76.9Confident33 Ų3372.1 Ų72.127%0.27336%0.36SS..  trans-111.965.5-178.900000109.5H146 D148 D166 F170H146-A168 CarbonylContact O-C 3.54Å; H146-A168 PolarHBondContact O-N 3.24Å; D148-A168 HydrophobicContact CB-CB 4.02Å; D166-A168 PolarHBondContact O-N 3.14Å; D166-A168 VanDerWaalsContact O-N 3.13Å; A168-F170 PolarHBondContact O-N 3.35Å
169S60.7Low75.9Confident58 Ų5870.5 Ų70.541%0.40634%0.339SS..  trans-58.6-13.9175.8-54.10000113.2L74 K171L74-S169 WeakPolarHBondContact CD1-OG 3.35Å; S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 3.43Å; S169-K171 VanDerWaalsContact O-N 3.1Å
170F54.9Low74.8Confident88 Ų8862.7 Ų62.739%0.38632%0.315SS..  trans-79.829.2-169.8-56.7-74.7000116.3Y67 E70 A168 P172Y67-F170 AromaticContact CD1-CD1 3.96Å; Y67-F170 HydrophobicContact CD1-CD1 3.96Å; Y67-F170 AromaticContact CD1-CE1 3.39Å; Y67-F170 HydrophobicContact CD1-CE1 3.39Å; Y67-F170 AromaticContact CD1-CZ 3.97Å; Y67-F170 HydrophobicContact CD1-CZ 3.97Å; Y67-F170 AromaticContact CE1-CD1 3.83Å; Y67-F170 HydrophobicContact CE1-CD1 3.83Å; Y67-F170 AromaticContact CE1-CE1 3.76Å; Y67-F170 HydrophobicContact CE1-CE1 3.76Å; E70-F170 HydrophobicContact CB-CE1 4.44Å; E70-F170 HydrophobicContact CB-CZ 4.47Å; E70-F170 WeakPolarHBondContact OE2-CE1 3.4Å; A168-F170 PolarHBondContact O-N 3.35Å; F170-P172 WeakPolarHBondContact O-CD 3.34Å
171K43Very low73.4Confident150 Ų15065.9 Ų65.965%0.65233%0.33SS*.  trans-88.9107.8164.2-73.5-169.9-177.7171.10107.8S169 T173S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 3.43Å; S169-K171 VanDerWaalsContact O-N 3.1Å; K171-T173 PolarHBondContact O-N 2.99Å
172P38.7Very low71.5Confident83 Ų8365 Ų6554%0.53933%0.333SS..  trans-58.4119.3169.6-13.628.5000106.7F170 Y174F170-P172 WeakPolarHBondContact O-CD 3.34Å; P172-Y174 HydrophobicContact CB-CD2 3.79Å; P172-Y174 HydrophobicContact CB-CE2 3.48Å; P172-Y174 VanDerWaalsContact CB-CE2 3.48Å; P172-Y174 HydrophobicContact CG-CE2 4.2Å; P172-Y174 PolarHBondContact O-N 3.27Å
173T38Very low69.3Low143 Ų14370.4 Ų70.488%0.87736%0.361SS*.  trans-83.394162.3360000104.8K171K171-T173 PolarHBondContact O-N 2.99Å
174Y39Very low66.6Low236 Ų23675.2 Ų75.293%0.92539%0.385SS*.  trans-85.30155.8-65.2-75.7000107.2M1 P172M1-Y174 HydrophobicContact CE-CE2 3.97Å; M1-Y174 VanDerWaalsContact CE-OH 3.24Å; M1-Y174 WeakPolarHBondContact CE-OH 3.32Å; M1-Y174 HydrophobicContact CG-CE2 4.49Å; P172-Y174 HydrophobicContact CB-CD2 3.79Å; P172-Y174 HydrophobicContact CB-CE2 3.48Å; P172-Y174 VanDerWaalsContact CB-CE2 3.48Å; P172-Y174 HydrophobicContact CG-CE2 4.2Å; P172-Y174 PolarHBondContact O-N 3.27Å

Retrieved 174 of 174 residues in 160.1 ms (Link to these results)

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