A0A060WND0_ONCMY Loading...

Fibroblast growth factor binding protein 3

AlphaFold DB , UniProt , Accession A0A060WND0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529971, Length 210 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
1M60.9Low54Low218 Ų218162.4 Ų162.4100%1.07475%0.749SS**  019.80-66-51.6-166.100115.5
2R58.3Low53.9Low227 Ų227157.5 Ų157.586%0.85775%0.745SS**  trans-119.6-14.1172.4-73.7-179.1170.4145.4-2.6114.7
3F55.1Low54Low170 Ų170156.2 Ų156.275%0.74674%0.744SS**SBendtrans-94-15.8178.6-93.3-85.7000115W5F3-W5 VanDerWaalsContact C-N 3.32Å
4L54.3Low53.9Low133 Ų133152.9 Ų152.970%0.69674%0.742SS**Hα-helixtrans-76.1-18.6176-92.984.5000113.5
5W49.1Very low53.9Low203 Ų203151.8 Ų151.877%0.76975%0.748SS**Hα-helixtrans-81.4-26.8-177-147.841.2000112.9F3F3-W5 VanDerWaalsContact C-N 3.32Å
6L52.8Low53.8Low113 Ų113152.1 Ų152.159%0.59275%0.752SS**Hα-helixtrans-74.7-29.5176.5-72168.8000112.7F8L6-F8 VanDerWaalsContact C-N 3.35Å
7L51.3Low53.1Low120 Ų120149.2 Ų149.263%0.62875%0.747SS**Hα-helixtrans-73.5-26.4175.4-80.9161.8000112.7
8F52.7Low53Low164 Ų164148 Ų14872%0.71976%0.756SS**Hα-helixtrans-76.1-28.4177.4-143.1-93.2000112.6L6L6-F8 VanDerWaalsContact C-N 3.35Å
9F53.6Low52.6Low158 Ų158147 Ų14769%0.69376%0.757SS**Hα-helixtrans-78.7-21.6178.3-105.4-85.4000114.1
10L53.3Low52.4Low130 Ų130149.2 Ų149.268%0.68176%0.764SS**THydrogen-bonded Turntrans-82.8-12179.5-94.4157000114.1
11L52.9Low52.3Low150 Ų150147 Ų14779%0.78577%0.769SS**THydrogen-bonded Turntrans-94.7-0.6-177.2-101.4143.5000114.5
12C52.3Low51.3Low104 Ų104145 Ų14570%0.70375%0.754SS**  trans-111.334179.8-83.70000113.4P14C12-P14 WeakPolarHBondContact O-CD 3.31Å
13L55.9Low50.9Low140 Ų140145.9 Ų145.973%0.73376%0.757SS**  trans-80.8110.7163.1-77169.2000108.5V15L13-V15 PolarHBondContact O-N 2.8Å; L13-V15 VanDerWaalsContact O-N 3.17Å
14P52.6Low50.1Low110 Ų110145.6 Ų145.671%0.71476%0.758SS**  trans-65.4119.1169.627.4-31.9000108.4C12 L16C12-P14 WeakPolarHBondContact O-CD 3.31Å; P14-L16 PolarHBondContact O-N 3.44Å; P14-L16 VanDerWaalsContact O-N 3.13Å
15V53Low50Low137 Ų137146.3 Ų146.383%0.8376%0.763SS**  trans-56.3114.6165.3178.60000107L13 P17L13-V15 PolarHBondContact O-N 2.8Å; L13-V15 VanDerWaalsContact O-N 3.17Å; V15-P17 VanDerWaalsContact O-CD 3.32Å; V15-P17 WeakPolarHBondContact O-CD 3.23Å
16L52.9Low49.5Very low156 Ų156141.3 Ų141.382%0.81776%0.759SS**  trans-64.5122.4171.9-74165.3000108.3P14 S18P14-L16 PolarHBondContact O-N 3.44Å; P14-L16 VanDerWaalsContact O-N 3.13Å; L16-S18 PolarHBondContact O-N 2.95Å
17P41.8Very low49.4Very low103 Ų103142.6 Ų142.667%0.66977%0.766SS**  trans-67.5118.3164.926.1-29.4000108.4V15 T19V15-P17 VanDerWaalsContact O-CD 3.32Å; V15-P17 WeakPolarHBondContact O-CD 3.23Å; P17-T19 PolarHBondContact O-N 3.09Å
18S50.4Low48.8Very low128 Ų128143.9 Ų143.990%0.89577%0.774SS**  trans-57.7103.7159.8-69.80000107.7L16L16-S18 PolarHBondContact O-N 2.95Å
19T45.6Very low48.8Very low129 Ų129146.3 Ų146.379%0.79178%0.784SS**  trans-88.6129.6168.846.50000108.4P17P17-T19 PolarHBondContact O-N 3.09Å
20E49.4Very low48.2Very low190 Ų190146.2 Ų146.289%0.88879%0.788SS**  trans-53143.2-176.6-69-178.110100113.3K22E20-K22 PolarHBondContact O-N 3.26Å
21A50.1Low48.2Very low105 Ų105144.4 Ų144.487%0.86879%0.786SS**  trans-63.596.7164.500000110.1R23A21-R23 PolarHBondContact O-N 3.3Å
22K39.5Very low47.8Very low175 Ų175145.4 Ų145.476%0.76179%0.787SS**  trans-88.896.4164.4-158.1161.2-171.3162.80109E20 Q24E20-K22 PolarHBondContact O-N 3.26Å; K22-Q24 HydrophobicContact CG-CG 4.37Å; K22-Q24 PolarHBondContact O-N 2.97Å; K22-Q24 VanDerWaalsContact O-N 3.17Å
23R50.7Low47.7Very low246 Ų246143.9 Ų143.993%0.92878%0.775SS**  trans-53.5117159.4-85.5-173.2175.8-177.7-0107.8A21A21-R23 PolarHBondContact O-N 3.3Å
24Q38.5Very low48.1Very low163 Ų163138.3 Ų138.376%0.76275%0.748SS**  trans-122101.7157.7-75.1-166.7-28.700108.3K22K22-Q24 HydrophobicContact CG-CG 4.37Å; K22-Q24 PolarHBondContact O-N 2.97Å; K22-Q24 VanDerWaalsContact O-N 3.17Å
25N52.3Low48.2Very low149 Ų149138.3 Ų138.380%0.79775%0.747SS**  trans-74.4120.3149.7-179.813.9000106.5
26S38.3Very low48.3Very low97 Ų97137.2 Ų137.268%0.67874%0.743SS**  trans-168.9112.6152.6-1640000110N28S26-N28 PolarHBondContact O-N 3.41Å
27D50.6Low48.3Very low140 Ų140133.3 Ų133.375%0.74973%0.727SS**  trans-49117.2166.8-61.2-77.8000111.7
28N37.9Very low48.5Very low148 Ų148134.4 Ų134.479%0.79174%0.735SS**  trans-151.884.1160.2-103.2-61.7000110.4S26 M30S26-N28 PolarHBondContact O-N 3.41Å; N28-M30 PolarHBondContact O-N 3Å; N28-M30 VanDerWaalsContact O-N 3.15Å
29K52.5Low48.4Very low215 Ų215133.6 Ų133.694%0.93574%0.735SS**  trans-76.890.2169.7-175177.5-179.6-170.30108.7
30M41.9Very low48.7Very low155 Ų155130 Ų13076%0.76472%0.724SS**  trans-142.9107.5165.2-168.158.8172.800111.2N28 Q32N28-M30 PolarHBondContact O-N 3Å; N28-M30 VanDerWaalsContact O-N 3.15Å; M30-Q32 PolarHBondContact O-N 2.02Å; M30-Q32 VanDerWaalsContact O-N 3.09Å
31S53.9Low48.5Very low93 Ų93131.2 Ų131.265%0.6573%0.727SS**  trans10.373167.2-55.40000119
32Q43.2Very low48.5Very low171 Ų171131.1 Ų131.180%0.79971%0.707SS**PPolyproline II helixtrans-84.5145.6155.4-74.8176.6-4900110.1M30M30-Q32 PolarHBondContact O-N 2.02Å; M30-Q32 VanDerWaalsContact O-N 3.09Å
33P50.8Low48.7Very low71 Ų71127.4 Ų127.446%0.46170%0.7SS.*PPolyproline II helixtrans-56.2138.416623.8-30.6000108.9
34P64.9Low48.5Very low24 Ų24125.9 Ų125.916%0.15670%0.7CS.*PPolyproline II helixtrans-54.7137.1177.619.5-30.2000110.1L74P34-L74 HydrophobicContact CB-CD2 3.82Å; P34-L74 HydrophobicContact CG-CD1 3.47Å; P34-L74 VanDerWaalsContact CG-CD1 3.47Å; P34-L74 HydrophobicContact CG-CD2 3.34Å; P34-L74 HydrophobicContact CG-CG 4.03Å
35P54.1Low49Very low109 Ų109123.6 Ų123.671%0.70869%0.693SS**PPolyproline II helixtrans-57.6140178.224.1-32.8000109.2
36P54.4Low49.1Very low115 Ų115119 Ų11975%0.74767%0.673SS**PPolyproline II helixtrans-55.7135172.924.3-32.1000108.4
37P54.2Low50.2Low74 Ų74115.6 Ų115.648%0.48165%0.648SS.*PPolyproline II helixtrans-57.9143.2-179.722.2-31.5000109.8A39 D64P37-A39 PolarHBondContact O-N 3.06Å; P37-D64 HydrophobicContact CG-CB 4.35Å
38P44.9Very low51.1Low126 Ų126111.3 Ų111.382%0.81863%0.627SS**PPolyproline II helixtrans-55.5133.4178.122.4-31.8000109.3G40P38-G40 PolarHBondContact O-N 3.11Å
39A49.6Very low53.3Low110 Ų110106 Ų10691%0.90960%0.602SS**  trans-69.170.6177.500000110.5P37P37-A39 PolarHBondContact O-N 3.06Å
40G51.5Low55Low54 Ų5498.5 Ų98.556%0.55758%0.577SS**  trans-73.8134.3170.300000109.9P38 K42P38-G40 PolarHBondContact O-N 3.11Å; G40-K42 PolarHBondContact O-N 3.25Å
41K45.6Very low57.5Low216 Ų21692.6 Ų92.694%0.93956%0.555SS**  trans-59.7103.4173.6-66.4-178.5-178.7179.90108.8
42K49.6Very low59.4Low103 Ų10390.8 Ų90.845%0.44855%0.551SS.*  trans-69.7138.5179.5-68.5-170.9-177.1-173.70110.3G40 S49 S50G40-K42 PolarHBondContact O-N 3.25Å; K42-S49 PolarHBondContact NZ-OG 3.49Å; K42-S50 PolarHBondContact NZ-OG 3.16Å
43P43.6Very low61.9Low96 Ų9683.4 Ų83.462%0.62352%0.517SS*.  trans-62142173.524.5-31.3000109.8N45 S46P43-N45 PolarHBondContact O-N 3.16Å; P43-S46 PolarHBondContact O-N 3.49Å; P43-S46 PolarHBondContact O-OG 2.72Å
44K47.5Very low64.1Low215 Ų21583 Ų8394%0.93552%0.515SS*.THydrogen-bonded Turntrans-58.4-2.6-173.3-64.3178.6179.21790114.9
45N47.1Very low65.6Low115 Ų11582.2 Ų82.262%0.61551%0.51SS*.THydrogen-bonded Turntrans-129.121.6-178.6-91-16.4000114.3P43 R101P43-N45 PolarHBondContact O-N 3.16Å; N45-R101 VanDerWaalsContact CA-NH1 3.25Å; N45-R101 VanDerWaalsContact O-CZ 3.31Å; N45-R101 PolarHBondContact O-NH1 3.21Å; N45-R101 PolarHBondContact OD1-NH1 3.25Å; N45-R101 PolarHBondContact OD1-NH2 3.05Å
46S55.3Low67.5Low53 Ų5385 Ų8537%0.37151%0.511SS..  trans-78.9138.2171.147.70000111P43P43-S46 PolarHBondContact O-N 3.49Å; P43-S46 PolarHBondContact O-OG 2.72Å
47V61.9Low69.4Low24 Ų2483.2 Ų83.215%0.14550%0.498CS..  trans-52.9141.8166.5170.30000108S49 R101 Q104V47-S49 PolarHBondContact O-N 3.06Å; V47-R101 HydrophobicContact CG2-CB 4.2Å; V47-R101 HydrophobicContact CG2-CG 3.84Å; V47-Q104 HydrophobicContact CG1-CB 3.63Å; V47-Q104 HydrophobicContact CG2-CB 4.11Å
48P69.8Low71.2Confident50 Ų5082.2 Ų82.233%0.32550%0.501SS..  trans-56.8104.3-177.720.8-31.6000108.9S50 W63 V105P48-S50 VanDerWaalsContact C-N 3.34Å; P48-W63 HydrophobicContact CB-CH2 4.32Å; P48-W63 VanDerWaalsContact O-CH2 3.29Å; P48-W63 WeakPolarHBondContact O-CH2 3.21Å; P48-V105 VanDerWaalsContact CD-CG2 3.45Å; P48-V105 HydrophobicContact CG-CB 4.43Å; P48-V105 HydrophobicContact CG-CG1 4.38Å; P48-V105 HydrophobicContact CG-CG2 3.95Å
49S82.4Confident73.7Confident36 Ų3678.2 Ų78.225%0.25247%0.471SS..  trans-96.10.9-179.8133.30000110.9K42 V47 D64 T65K42-S49 PolarHBondContact NZ-OG 3.49Å; V47-S49 PolarHBondContact O-N 3.06Å; S49-D64 CarbonylContact O-C 3.46Å; S49-D64 VanDerWaalsContact O-CA 3.26Å; S49-D64 WeakPolarHBondContact O-CA 3.49Å; S49-T65 VanDerWaalsContact CA-OG1 3.26Å; S49-T65 WeakPolarHBondContact CA-OG1 3.48Å; S49-T65 PolarHBondContact O-N 3.38Å; S49-T65 PolarHBondContact O-OG1 2.75Å; S49-T65 PolarHBondContact OG-O 3.45Å
50S90.1Very high75.9Confident58 Ų5878 Ų7841%0.40646%0.455SS..EExtended strand (participates in β ladder)trans-162.3158.3174.655.40000111.4K42 P48 W63K42-S50 PolarHBondContact NZ-OG 3.16Å; P48-S50 VanDerWaalsContact C-N 3.34Å; S50-W63 CarbonylContact C-O 3.48Å; S50-W63 WeakPolarHBondContact CA-O 3.46Å; S50-W63 WeakPolarHBondContact CB-O 3.36Å
51G92.8Very high78.1Confident31 Ų3175.4 Ų75.432%0.3243%0.428SS..EExtended strand (participates in β ladder)trans-174.2-174.2174.600000113T62 W63G51-T62 CarbonylContact O-C 3.58Å; G51-T62 WeakPolarHBondContact O-CA 3.19Å; G51-W63 VanDerWaalsContact C-CD1 3.45Å; G51-W63 PolarHBondContact N-O 3.22Å; G51-W63 VanDerWaalsContact O-CD1 3.23Å; G51-W63 PolarHBondContact O-N 3.42Å
52G95Very high80.5Confident55 Ų5568.7 Ų68.757%0.56741%0.406SS*.EExtended strand (participates in β ladder)trans-127.3154.617700000112.4C61G52-C61 CarbonylContact C-O 3.56Å; G52-C61 VanDerWaalsContact CA-O 3.25Å; G52-C61 WeakPolarHBondContact CA-O 3.25Å
53F95.6Very high82.7Confident17 Ų1764.6 Ų64.68%0.07539%0.387CS..EExtended strand (participates in β ladder)trans-156.2160.3172.167.7-84000110.8T55 C61 W63 V75 V112 L115 K116 A121F53-T55 HydrophobicContact CE2-CG2 4.1Å; F53-C61 HydrophobicContact CD1-CB 4.04Å; F53-C61 HydrophobicContact CD2-CB 4.12Å; F53-C61 HydrophobicContact CE1-CB 3.64Å; F53-C61 HydrophobicContact CE2-CB 3.73Å; F53-C61 HydrophobicContact CG-CB 4.27Å; F53-C61 HydrophobicContact CZ-CB 3.46Å; F53-C61 VanDerWaalsContact CZ-CB 3.46Å; F53-C61 PolarHBondContact N-O 3.14Å; F53-C61 WeakPolarHBondContact O-CA 3Å; F53-C61 WeakPolarHBondContact O-CB 2.92Å; F53-C61 PolarHBondContact O-N 2.85Å; F53-C61 VanDerWaalsContact O-O 3.06Å; F53-W63 AromaticContact CD1-CD1 3.81Å; F53-W63 HydrophobicContact CE1-CB 4.48Å; F53-V75 HydrophobicContact CE1-CG1 4.13Å; F53-V75 HydrophobicContact CZ-CG1 3.89Å; F53-V112 HydrophobicContact CB-CG1 3.97Å; F53-V112 HydrophobicContact CD1-CG1 3.82Å; F53-V112 HydrophobicContact CG-CG1 3.97Å; F53-L115 HydrophobicContact CE1-CB 4.46Å; F53-L115 HydrophobicContact CE1-CD1 4.4Å; F53-L115 HydrophobicContact CE2-CB 3.8Å; F53-L115 HydrophobicContact CZ-CB 3.7Å; F53-L115 HydrophobicContact CZ-CD1 4.17Å; F53-K116 HydrophobicContact CD2-CB 4.31Å; F53-A121 HydrophobicContact CE2-CB 4.06Å; F53-A121 HydrophobicContact CZ-CB 3.87Å
54S96.4Very high85.1Confident61 Ų6161.2 Ų61.243%0.42736%0.364SS..EExtended strand (participates in β ladder)trans-111.2134.1171.6-50.90000110.7H59 K116S54-H59 VanDerWaalsContact CA-O 3.3Å; S54-H59 WeakPolarHBondContact CA-O 3.35Å; S54-K116 WeakPolarHBondContact O-CG 3.46Å
55T96.1Very high87.3Confident8 Ų852 Ų525%0.04933%0.326CS..  trans-68.4173.717660.50000112.2F53 V57 G58 H59 K116 R118 R119 A121F53-T55 HydrophobicContact CE2-CG2 4.1Å; T55-V57 PolarHBondContact O-N 3.08Å; T55-G58 PolarHBondContact O-N 3.27Å; T55-H59 HydrophobicContact CG2-CB 4.17Å; T55-H59 PolarHBondContact N-O 3.16Å; T55-H59 VanDerWaalsContact N-O 3.08Å; T55-H59 VanDerWaalsContact OG1-CB 3.26Å; T55-H59 WeakPolarHBondContact OG1-CB 3.24Å; T55-H59 PolarHBondContact OG1-N 2.84Å; T55-K116 CarbonylContact C-O 3.57Å; T55-R118 WeakPolarHBondContact CB-O 3.32Å; T55-R119 WeakPolarHBondContact CB-O 3.28Å; T55-R119 PolarHBondContact OG1-O 2.91Å; T55-A121 HydrophobicContact CG2-CB 4.07Å
56K94.1Very high89.3Confident168 Ų16850.2 Ų50.273%0.7332%0.322SS*.THydrogen-bonded Turntrans-59-30.2179.4-172.2175.9179.7-179.90113.2K116 R118K56-K116 PolarHBondContact N-O 2.92Å; K56-K116 VanDerWaalsContact N-O 3.14Å; K56-R118 WeakPolarHBondContact CB-O 3.29Å; K56-R118 PolarHBondContact N-O 2.65Å
57V93.4Very high90.8Very high78 Ų7850 Ų5047%0.47333%0.328SS..THydrogen-bonded Turntrans-97.28.4179.3-54.10000112.8T55 R119T55-V57 PolarHBondContact O-N 3.08Å; V57-R119 HydrophobicContact CG1-CB 3.99Å; V57-R119 HydrophobicContact CG1-CG 4.02Å; V57-R119 WeakPolarHBondContact CG2-O 3.45Å
58G93.8Very high91.7Very high53 Ų5358.1 Ų58.155%0.54636%0.364SS..  trans90.32.6173.500000116.5T55 N60T55-G58 PolarHBondContact O-N 3.27Å; G58-N60 PolarHBondContact O-N 3.45Å
59H95.9Very high92.3Very high41 Ų4157 Ų5719%0.1936%0.362CS..  trans-58.3129.3173.4-55.5154.4000110.8S54 T55 R78 S79 Y84S54-H59 VanDerWaalsContact CA-O 3.3Å; S54-H59 WeakPolarHBondContact CA-O 3.35Å; T55-H59 HydrophobicContact CG2-CB 4.17Å; T55-H59 PolarHBondContact N-O 3.16Å; T55-H59 VanDerWaalsContact N-O 3.08Å; T55-H59 VanDerWaalsContact OG1-CB 3.26Å; T55-H59 WeakPolarHBondContact OG1-CB 3.24Å; T55-H59 PolarHBondContact OG1-N 2.84Å; H59-R78 WeakPolarHBondContact CA-O 3.19Å; H59-S79 WeakPolarHBondContact CD2-CB 3.27Å; H59-S79 WeakPolarHBondContact NE2-CB 3.43Å; H59-Y84 HydrophobicContact CB-CE1 4.41Å; H59-Y84 AromaticContact ND1-CE1 3.65Å; H59-Y84 AromaticContact ND1-CZ 3.65Å; H59-Y84 PolarHBondContact ND1-OH 2.75Å
60N96.8Very high92.6Very high105 Ų10558.7 Ų58.756%0.56137%0.371SS*.EExtended strand (participates in β ladder)trans-83116.4177.8-174.7-0.6000109.3G58 C77 R78G58-N60 PolarHBondContact O-N 3.45Å; N60-C77 CarbonylContact O-C 3.57Å; N60-C77 WeakPolarHBondContact O-CA 3.44Å; N60-R78 PolarHBondContact N-O 3.09Å; N60-R78 PolarHBondContact O-N 3.15Å
61C97Very high92.7Very high0 Ų056.5 Ų56.50%036%0.355CS..EExtended strand (participates in β ladder)trans-120.4141-175.5-60.30000112G52 F53 S76 C77G52-C61 CarbonylContact C-O 3.56Å; G52-C61 VanDerWaalsContact CA-O 3.25Å; G52-C61 WeakPolarHBondContact CA-O 3.25Å; F53-C61 HydrophobicContact CD1-CB 4.04Å; F53-C61 HydrophobicContact CD2-CB 4.12Å; F53-C61 HydrophobicContact CE1-CB 3.64Å; F53-C61 HydrophobicContact CE2-CB 3.73Å; F53-C61 HydrophobicContact CG-CB 4.27Å; F53-C61 HydrophobicContact CZ-CB 3.46Å; F53-C61 VanDerWaalsContact CZ-CB 3.46Å; F53-C61 PolarHBondContact N-O 3.14Å; F53-C61 WeakPolarHBondContact O-CA 3Å; F53-C61 WeakPolarHBondContact O-CB 2.92Å; F53-C61 PolarHBondContact O-N 2.85Å; F53-C61 VanDerWaalsContact O-O 3.06Å; C61-S76 CarbonylContact C-O 3.58Å; C61-S76 VanDerWaalsContact CA-O 3.24Å; C61-S76 WeakPolarHBondContact CA-O 3.09Å; C61-C77 HydrophobicContact CB-CB 4.08Å; C61-C77 WeakPolarHBondContact CB-SG 3.37Å; C61-C77 WeakPolarHBondContact SG-CB 3.39Å; C61-C77 CovalentContact SG-SG 2.03Å; C61-C77 PolarHBondContact SG-SG 3.2Å
62T96.8Very high92.7Very high75 Ų7557.5 Ų57.546%0.4635%0.353SS..EExtended strand (participates in β ladder)trans-110.4153.6165.258.50000109.8G51 V75 S76G51-T62 CarbonylContact O-C 3.58Å; G51-T62 WeakPolarHBondContact O-CA 3.19Å; T62-V75 WeakPolarHBondContact O-CA 3.37Å; T62-S76 PolarHBondContact N-O 3.32Å; T62-S76 PolarHBondContact O-N 3.49Å
63W95.6Very high92.7Very high18 Ų1855 Ų557%0.06833%0.326CS..EExtended strand (participates in β ladder)trans-137.3150.9171.366.2-82000110.6P48 S50 G51 F53 T65 L73 L74 V75 W108 V112P48-W63 HydrophobicContact CB-CH2 4.32Å; P48-W63 VanDerWaalsContact O-CH2 3.29Å; P48-W63 WeakPolarHBondContact O-CH2 3.21Å; S50-W63 CarbonylContact C-O 3.48Å; S50-W63 WeakPolarHBondContact CA-O 3.46Å; S50-W63 WeakPolarHBondContact CB-O 3.36Å; G51-W63 VanDerWaalsContact C-CD1 3.45Å; G51-W63 PolarHBondContact N-O 3.22Å; G51-W63 VanDerWaalsContact O-CD1 3.23Å; G51-W63 PolarHBondContact O-N 3.42Å; F53-W63 AromaticContact CD1-CD1 3.81Å; F53-W63 HydrophobicContact CE1-CB 4.48Å; W63-T65 HydrophobicContact CE3-CG2 4.02Å; W63-T65 HydrophobicContact CZ3-CG2 3.77Å; W63-L73 HydrophobicContact CB-CD1 4.03Å; W63-L73 HydrophobicContact CD2-CD1 4.31Å; W63-L73 HydrophobicContact CE3-CD1 3.68Å; W63-L73 HydrophobicContact CG-CD1 4.49Å; W63-L74 CarbonylContact C-O 3.47Å; W63-L74 WeakPolarHBondContact CA-O 3.46Å; W63-V75 HydrophobicContact CB-CG2 4.24Å; W63-W108 HydrophobicContact CH2-CB 3.99Å; W63-W108 HydrophobicContact CH2-CG 4.22Å; W63-W108 HydrophobicContact CZ3-CD2 4.28Å; W63-W108 HydrophobicContact CZ3-CE3 4.19Å; W63-W108 HydrophobicContact CZ3-CG 4.43Å; W63-V112 HydrophobicContact CD2-CG2 3.95Å; W63-V112 HydrophobicContact CG-CG2 4.19Å; W63-V112 HydrophobicContact CZ2-CG2 3.9Å
64D93.8Very high92.7Very high25 Ų2554.7 Ų54.713%0.13433%0.326CS..EExtended strand (participates in β ladder)trans-145.1153.9173.565.1-88.8000110.9P37 S49 L73 L74P37-D64 HydrophobicContact CG-CB 4.35Å; S49-D64 CarbonylContact O-C 3.46Å; S49-D64 VanDerWaalsContact O-CA 3.26Å; S49-D64 WeakPolarHBondContact O-CA 3.49Å; D64-L73 WeakPolarHBondContact O-CA 3.44Å; D64-L74 PolarHBondContact N-O 3.03Å; D64-L74 PolarHBondContact O-N 2.91Å
65T92.7Very high92.7Very high22 Ų2251.8 Ų51.814%0.13531%0.305CS..EExtended strand (participates in β ladder)trans-118.8138.6177.558.90000110.9S49 W63 V71 N72 L73 W108S49-T65 VanDerWaalsContact CA-OG1 3.26Å; S49-T65 WeakPolarHBondContact CA-OG1 3.48Å; S49-T65 PolarHBondContact O-N 3.38Å; S49-T65 PolarHBondContact O-OG1 2.75Å; S49-T65 PolarHBondContact OG-O 3.45Å; W63-T65 HydrophobicContact CE3-CG2 4.02Å; W63-T65 HydrophobicContact CZ3-CG2 3.77Å; T65-V71 HydrophobicContact CG2-CG1 4.32Å; T65-N72 CarbonylContact C-O 3.56Å; T65-N72 WeakPolarHBondContact CA-O 3.33Å; T65-L73 HydrophobicContact CG2-CB 4.48Å; T65-L73 HydrophobicContact CG2-CD1 3.88Å; T65-W108 HydrophobicContact CG2-CD2 4.25Å; T65-W108 HydrophobicContact CG2-CE3 3.95Å; T65-W108 HydrophobicContact CG2-CH2 3.32Å; T65-W108 HydrophobicContact CG2-CZ2 3.65Å; T65-W108 HydrophobicContact CG2-CZ3 3.48Å; T65-W108 VanDerWaalsContact CG2-CZ3 3.48Å
66S90.3Very high92.8Very high76 Ų7653 Ų5353%0.53131%0.314SS..EExtended strand (participates in β ladder)trans-145.6152.8-178.6-179.80000111N72S66-N72 PolarHBondContact N-O 3.49Å; S66-N72 WeakPolarHBondContact O-CB 3.02Å; S66-N72 PolarHBondContact O-N 2.71Å
67G86.4Confident92.9Very high48 Ų4845.2 Ų45.250%0.49528%0.281SS..  trans99.5152.9-178.100000113.7
68E80.7Confident93Very high195 Ų19550.1 Ų50.191%0.91129%0.291SS*.SBendtrans-114.3132.7177.7-173.1173.2-170.700108.6V70E68-V70 PolarHBondContact O-N 3.25Å
69G82.8Confident93Very high26 Ų2648.6 Ų48.627%0.26827%0.272SS..SBendtrans72.2-64.3-171.500000113.6Q91G69-Q91 WeakPolarHBondContact O-CA 3.43Å; G69-Q91 WeakPolarHBondContact O-CG 3.18Å
70V89.3Confident92.6Very high73 Ų7356.2 Ų56.244%0.44231%0.308SS..SBendtrans-94.7103.5170.2-176.50000108.9E68 Q91E68-V70 PolarHBondContact O-N 3.25Å; V70-Q91 HydrophobicContact CG2-CG 3.94Å
71V91.8Very high92.1Very high12 Ų1259.9 Ų59.97%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-90.4129.6-177.5-179.40000109.9T65 T89 G90 P92 W108 M141T65-V71 HydrophobicContact CG2-CG1 4.32Å; V71-T89 WeakPolarHBondContact O-CA 3.33Å; V71-G90 PolarHBondContact N-O 2.7Å; V71-G90 PolarHBondContact O-N 3.23Å; V71-P92 HydrophobicContact CB-CG 4.12Å; V71-P92 HydrophobicContact CG2-CG 3.71Å; V71-W108 HydrophobicContact CG1-CH2 3.81Å; V71-W108 HydrophobicContact CG1-CZ2 3.97Å; V71-M141 HydrophobicContact CB-CE 3.94Å; V71-M141 HydrophobicContact CG1-CE 4.26Å
72N93.3Very high91.8Very high52 Ų5263.2 Ų63.228%0.27834%0.337SS..EExtended strand (participates in β ladder)trans-94.2129.6170.4-65-90.5000108.8T65 S66 Y88 T89T65-N72 CarbonylContact C-O 3.56Å; T65-N72 WeakPolarHBondContact CA-O 3.33Å; S66-N72 PolarHBondContact N-O 3.49Å; S66-N72 WeakPolarHBondContact O-CB 3.02Å; S66-N72 PolarHBondContact O-N 2.71Å; N72-Y88 CarbonylContact C-O 3.51Å; N72-Y88 VanDerWaalsContact CA-O 3.29Å; N72-Y88 WeakPolarHBondContact CA-O 3.27Å; N72-T89 VanDerWaalsContact OD1-CG2 3.28Å; N72-T89 WeakPolarHBondContact OD1-CG2 3.48Å
73L94.6Very high91.7Very high1 Ų162.5 Ų62.51%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-109110.2168.5169.969.4000108W63 D64 T65 V75 R87 Y88 W108 L115 L128W63-L73 HydrophobicContact CB-CD1 4.03Å; W63-L73 HydrophobicContact CD2-CD1 4.31Å; W63-L73 HydrophobicContact CE3-CD1 3.68Å; W63-L73 HydrophobicContact CG-CD1 4.49Å; D64-L73 WeakPolarHBondContact O-CA 3.44Å; T65-L73 HydrophobicContact CG2-CB 4.48Å; T65-L73 HydrophobicContact CG2-CD1 3.88Å; L73-V75 HydrophobicContact CD1-CG2 4.44Å; L73-V75 HydrophobicContact CD2-CG2 4.38Å; L73-V75 HydrophobicContact CG-CG2 4.11Å; L73-R87 WeakPolarHBondContact O-CA 3.09Å; L73-Y88 HydrophobicContact CD2-CD2 4.34Å; L73-Y88 PolarHBondContact N-O 2.78Å; L73-Y88 PolarHBondContact O-N 2.89Å; L73-W108 HydrophobicContact CB-CZ3 4.31Å; L73-W108 HydrophobicContact CD1-CZ3 4.11Å; L73-W108 HydrophobicContact CD2-CZ3 4.3Å; L73-W108 HydrophobicContact CG-CZ3 4.48Å; L73-L115 HydrophobicContact CD2-CD1 4.48Å; L73-L128 HydrophobicContact CD2-CD1 4.17Å
74L95.9Very high91.6Very high12 Ų1262.1 Ų62.16%0.06333%0.331CS..EExtended strand (participates in β ladder)trans-93.2131.9171.9176.161.5000108.9P34 W63 D64 W85P34-L74 HydrophobicContact CB-CD2 3.82Å; P34-L74 HydrophobicContact CG-CD1 3.47Å; P34-L74 VanDerWaalsContact CG-CD1 3.47Å; P34-L74 HydrophobicContact CG-CD2 3.34Å; P34-L74 HydrophobicContact CG-CG 4.03Å; W63-L74 CarbonylContact C-O 3.47Å; W63-L74 WeakPolarHBondContact CA-O 3.46Å; D64-L74 PolarHBondContact N-O 3.03Å; D64-L74 PolarHBondContact O-N 2.91Å; L74-W85 HydrophobicContact CD1-CE3 4.08Å
75V96.6Very high91.8Very high0 Ų061.5 Ų61.50%033%0.327CS..EExtended strand (participates in β ladder)trans-122.7124.2173.9-178.60000107.8F53 T62 W63 L73 W85 C86 Y88 L115 A121F53-V75 HydrophobicContact CE1-CG1 4.13Å; F53-V75 HydrophobicContact CZ-CG1 3.89Å; T62-V75 WeakPolarHBondContact O-CA 3.37Å; W63-V75 HydrophobicContact CB-CG2 4.24Å; L73-V75 HydrophobicContact CD1-CG2 4.44Å; L73-V75 HydrophobicContact CD2-CG2 4.38Å; L73-V75 HydrophobicContact CG-CG2 4.11Å; V75-W85 CarbonylContact O-C 3.58Å; V75-W85 WeakPolarHBondContact O-CA 3.03Å; V75-W85 VanDerWaalsContact O-CB 3.31Å; V75-W85 WeakPolarHBondContact O-CB 3.39Å; V75-C86 PolarHBondContact N-O 3.36Å; V75-C86 PolarHBondContact O-N 2.04Å; V75-Y88 HydrophobicContact CG2-CE2 4.45Å; V75-L115 HydrophobicContact CG2-CD1 3.87Å; V75-A121 HydrophobicContact CG1-CB 3.95Å
76S96.6Very high91.9Very high32 Ų3260.5 Ų60.522%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-122.4126179.4-67.40000108.7C61 T62C61-S76 CarbonylContact C-O 3.58Å; C61-S76 VanDerWaalsContact CA-O 3.24Å; C61-S76 WeakPolarHBondContact CA-O 3.09Å; T62-S76 PolarHBondContact N-O 3.32Å; T62-S76 PolarHBondContact O-N 3.49Å
77C96.8Very high92.2Very high6 Ų659.8 Ų59.84%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-128.3147-174.3-65.60000111.3N60 C61 T83 Y84 A121N60-C77 CarbonylContact O-C 3.57Å; N60-C77 WeakPolarHBondContact O-CA 3.44Å; C61-C77 HydrophobicContact CB-CB 4.08Å; C61-C77 WeakPolarHBondContact CB-SG 3.37Å; C61-C77 WeakPolarHBondContact SG-CB 3.39Å; C61-C77 CovalentContact SG-SG 2.03Å; C61-C77 PolarHBondContact SG-SG 3.2Å; C77-T83 CarbonylContact O-C 3.49Å; C77-T83 WeakPolarHBondContact O-CA 3.34Å; C77-Y84 HydrophobicContact CB-CD1 3.93Å; C77-Y84 HydrophobicContact CB-CD2 3.94Å; C77-Y84 HydrophobicContact CB-CE1 3.42Å; C77-Y84 VanDerWaalsContact CB-CE1 3.42Å; C77-Y84 HydrophobicContact CB-CE2 3.43Å; C77-Y84 VanDerWaalsContact CB-CE2 3.43Å; C77-Y84 HydrophobicContact CB-CG 4.17Å; C77-Y84 WeakPolarHBondContact CB-OH 3Å; C77-Y84 PolarHBondContact N-O 2.89Å; C77-Y84 PolarHBondContact O-N 2.88Å; C77-A121 VanDerWaalsContact SG-CB 3.55Å
78R95.9Very high92.6Very high180 Ų18057.5 Ų57.568%0.67928%0.283SS*.EExtended strand (participates in β ladder)trans-122.4126.3174.4-172.7168.4179.8178.7-0.4109.5H59 N60 T83H59-R78 WeakPolarHBondContact CA-O 3.19Å; N60-R78 PolarHBondContact N-O 3.09Å; N60-R78 PolarHBondContact O-N 3.15Å; R78-T83 HydrophobicContact CB-CG2 4.21Å; R78-T83 HydrophobicContact CG-CG2 3.96Å
79S92.7Very high93.3Very high21 Ų2149.3 Ų49.315%0.14725%0.246CC..  trans-101.4-178.5164.264.30000109H59 E81 Q82H59-S79 WeakPolarHBondContact CD2-CB 3.27Å; H59-S79 WeakPolarHBondContact NE2-CB 3.43Å; S79-E81 VanDerWaalsContact C-N 3.29Å; S79-E81 PolarHBondContact O-N 2.81Å; S79-Q82 PolarHBondContact N-O 3.3Å; S79-Q82 VanDerWaalsContact OG-CG 3.27Å; S79-Q82 WeakPolarHBondContact OG-CG 3.31Å; S79-Q82 PolarHBondContact OG-N 3.32Å; S79-Q82 PolarHBondContact OG-O 2.78Å
80E88.7Confident93.7Very high202 Ų20248.3 Ų48.394%0.94424%0.236SC*.SBendtrans-64.5-36175.4-62.2-175.9176.100111.7
81E86.3Confident93.8Very high182 Ų18248.1 Ų48.185%0.8523%0.23SC*.SBendtrans-101.5-32.1-171.5-60.3178.2175.900114.2S79S79-E81 VanDerWaalsContact C-N 3.29Å; S79-E81 PolarHBondContact O-N 2.81Å
82Q89.5Confident93.6Very high70 Ų7047.5 Ų47.533%0.32723%0.227SC..  trans-143.1155.2-172.762.4176.420.700112.8S79S79-Q82 PolarHBondContact N-O 3.3Å; S79-Q82 VanDerWaalsContact OG-CG 3.27Å; S79-Q82 WeakPolarHBondContact OG-CG 3.31Å; S79-Q82 PolarHBondContact OG-N 3.32Å; S79-Q82 PolarHBondContact OG-O 2.78Å
83T94.7Very high93.3Very high60 Ų6049.4 Ų49.437%0.36824%0.237SC..EExtended strand (participates in β ladder)trans-100.414716354.90000109C77 R78 K148 G149C77-T83 CarbonylContact O-C 3.49Å; C77-T83 WeakPolarHBondContact O-CA 3.34Å; R78-T83 HydrophobicContact CB-CG2 4.21Å; R78-T83 HydrophobicContact CG-CG2 3.96Å; T83-K148 CarbonylContact O-C 3.51Å; T83-K148 WeakPolarHBondContact O-CA 3.33Å; T83-G149 PolarHBondContact N-O 3.38Å; T83-G149 PolarHBondContact O-N 2.86Å; T83-G149 WeakPolarHBondContact OG1-CA 3.3Å; T83-G149 PolarHBondContact OG1-O 2.98Å
84Y95.2Very high92.9Very high10 Ų1053.5 Ų53.54%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-148.1156.417765.8-87.3000110H59 C77 S120 A121 C122 G147H59-Y84 HydrophobicContact CB-CE1 4.41Å; H59-Y84 AromaticContact ND1-CE1 3.65Å; H59-Y84 AromaticContact ND1-CZ 3.65Å; H59-Y84 PolarHBondContact ND1-OH 2.75Å; C77-Y84 HydrophobicContact CB-CD1 3.93Å; C77-Y84 HydrophobicContact CB-CD2 3.94Å; C77-Y84 HydrophobicContact CB-CE1 3.42Å; C77-Y84 VanDerWaalsContact CB-CE1 3.42Å; C77-Y84 HydrophobicContact CB-CE2 3.43Å; C77-Y84 VanDerWaalsContact CB-CE2 3.43Å; C77-Y84 HydrophobicContact CB-CG 4.17Å; C77-Y84 WeakPolarHBondContact CB-OH 3Å; C77-Y84 PolarHBondContact N-O 2.89Å; C77-Y84 PolarHBondContact O-N 2.88Å; Y84-S120 WeakPolarHBondContact CE2-OG 3.15Å; Y84-A121 HydrophobicContact CE2-CB 4.41Å; Y84-A121 PolarHBondContact OH-N 3Å; Y84-C122 HydrophobicContact CD2-CB 4.08Å; Y84-C122 HydrophobicContact CE2-CB 4.21Å; Y84-G147 CarbonylContact C-O 3.52Å; Y84-G147 VanDerWaalsContact CA-O 3.31Å; Y84-G147 WeakPolarHBondContact CA-O 3.32Å
85W96.1Very high92.5Very high12 Ų1253.1 Ų53.15%0.04526%0.256CS..EExtended strand (participates in β ladder)trans-148.5159.3-176.863.3-91.7000111.7L74 V75 R87 E145 K146 G147L74-W85 HydrophobicContact CD1-CE3 4.08Å; V75-W85 CarbonylContact O-C 3.58Å; V75-W85 WeakPolarHBondContact O-CA 3.03Å; V75-W85 VanDerWaalsContact O-CB 3.31Å; V75-W85 WeakPolarHBondContact O-CB 3.39Å; W85-R87 HydrophobicContact CZ3-CB 4.28Å; W85-E145 HydrophobicContact CH2-CB 4.27Å; W85-E145 HydrophobicContact CH2-CG 3.58Å; W85-E145 WeakPolarHBondContact CH2-OE1 3.28Å; W85-E145 HydrophobicContact CZ3-CB 4.04Å; W85-E145 HydrophobicContact CZ3-CG 3.86Å; W85-K146 CarbonylContact O-C 3.51Å; W85-K146 WeakPolarHBondContact O-CA 3.37Å; W85-K146 WeakPolarHBondContact O-CB 3.4Å; W85-G147 PolarHBondContact N-O 3.21Å; W85-G147 PolarHBondContact O-N 3.07Å
86C96.3Very high91.8Very high0 Ų061.7 Ų61.70%030%0.296CS..EExtended strand (participates in β ladder)trans-147.2145.9173.740.10000111.2V75 Y88 C122 L143 E145 K146V75-C86 PolarHBondContact N-O 3.36Å; V75-C86 PolarHBondContact O-N 2.04Å; C86-Y88 HydrophobicContact CB-CE2 3.99Å; C86-Y88 VanDerWaalsContact SG-CE2 3.59Å; C86-C122 HydrophobicContact CB-CB 3.63Å; C86-C122 WeakPolarHBondContact CB-SG 2.94Å; C86-C122 PolarHBondContact N-SG 2.03Å; C86-C122 VanDerWaalsContact N-SG 3.36Å; C86-C122 WeakPolarHBondContact SG-CA 3.31Å; C86-C122 WeakPolarHBondContact SG-CB 3.33Å; C86-C122 CovalentContact SG-SG 2.04Å; C86-C122 PolarHBondContact SG-SG 2.89Å; C86-L143 HydrophobicContact CB-CD1 3.51Å; C86-E145 CarbonylContact C-O 3.53Å; C86-E145 VanDerWaalsContact CA-O 3.27Å; C86-E145 WeakPolarHBondContact CA-O 3.4Å; C86-K146 HydrophobicContact CB-CB 3.92Å
87R96.1Very high91.1Very high61 Ų6161.7 Ų61.723%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-115.2125.7176.7-176.3175.4-69.7118.1-1.5109.8L73 W85 K144 E145L73-R87 WeakPolarHBondContact O-CA 3.09Å; W85-R87 HydrophobicContact CZ3-CB 4.28Å; R87-K144 PolarHBondContact O-N 3.04Å; R87-E145 HydrophobicContact CB-CB 4.27Å; R87-E145 IonicContact CZ-OE2 3.97Å; R87-E145 PolarHBondContact N-O 3Å; R87-E145 IonicContact NH1-OE2 2.7Å; R87-E145 PolarHBondContact NH1-OE2 3.48Å; R87-E145 PolarHBondContact O-N 3.32Å
88Y95.3Very high90.6Very high0 Ų062.3 Ų62.30%030%0.3CS..EExtended strand (participates in β ladder)trans-110.4151.3172.2-58.4-102.1000110.2N72 L73 V75 C86 R118 L128 K142 L143N72-Y88 CarbonylContact C-O 3.51Å; N72-Y88 VanDerWaalsContact CA-O 3.29Å; N72-Y88 WeakPolarHBondContact CA-O 3.27Å; L73-Y88 HydrophobicContact CD2-CD2 4.34Å; L73-Y88 PolarHBondContact N-O 2.78Å; L73-Y88 PolarHBondContact O-N 2.89Å; V75-Y88 HydrophobicContact CG2-CE2 4.45Å; C86-Y88 HydrophobicContact CB-CE2 3.99Å; C86-Y88 VanDerWaalsContact SG-CE2 3.59Å; Y88-R118 PolarHBondContact OH-NH1 3.29Å; Y88-L128 HydrophobicContact CD1-CD1 3.69Å; Y88-L128 HydrophobicContact CD1-CG 3.86Å; Y88-L128 HydrophobicContact CD2-CD1 4.1Å; Y88-L128 HydrophobicContact CE1-CD1 3.61Å; Y88-L128 HydrophobicContact CE1-CD2 4.3Å; Y88-L128 HydrophobicContact CE1-CG 3.6Å; Y88-L128 HydrophobicContact CE2-CD1 4.01Å; Y88-L128 HydrophobicContact CG-CD1 3.96Å; Y88-K142 CarbonylContact C-O 3.48Å; Y88-K142 WeakPolarHBondContact CA-O 3.16Å; Y88-L143 HydrophobicContact CD1-CB 3.85Å; Y88-L143 HydrophobicContact CD1-CD1 4.21Å; Y88-L143 HydrophobicContact CD2-CD1 4.32Å; Y88-L143 HydrophobicContact CE1-CB 3.68Å; Y88-L143 HydrophobicContact CE1-CD1 3.82Å; Y88-L143 HydrophobicContact CE1-CG 4.32Å; Y88-L143 HydrophobicContact CE2-CD1 3.97Å; Y88-L143 HydrophobicContact CG-CD1 4.43Å
89T94.4Very high90Very high23 Ų2358.1 Ų58.114%0.14130%0.298CS..EExtended strand (participates in β ladder)trans-134.3140.3177.459.20000110.9V71 N72 M141 K142 K144V71-T89 WeakPolarHBondContact O-CA 3.33Å; N72-T89 VanDerWaalsContact OD1-CG2 3.28Å; N72-T89 WeakPolarHBondContact OD1-CG2 3.48Å; T89-M141 VanDerWaalsContact C-SD 3.57Å; T89-K142 PolarHBondContact N-O 2.89Å; T89-K142 PolarHBondContact O-N 2.78Å; T89-K144 HydrophobicContact CG2-CB 4.39Å; T89-K144 HydrophobicContact CG2-CG 3.58Å; T89-K144 WeakPolarHBondContact OG1-CE 3.47Å; T89-K144 WeakPolarHBondContact OG1-CG 3.44Å
90G92.3Very high89.7Confident6 Ų660.9 Ų60.96%0.06231%0.312CS..EExtended strand (participates in β ladder)trans-170.4172.3175.500000112.2V71 P92 M141V71-G90 PolarHBondContact N-O 2.7Å; V71-G90 PolarHBondContact O-N 3.23Å; G90-P92 VanDerWaalsContact O-CD 3.28Å; G90-P92 WeakPolarHBondContact O-CD 3.22Å; G90-M141 PolarHBondContact N-SD 3.49Å
91Q91.1Very high89.5Confident68 Ų6857.2 Ų57.232%0.31829%0.289SS..  trans-113.879.8-179.8-64.1-175.3-74.300110.8G69 V70 D93 L94 E138 S139G69-Q91 WeakPolarHBondContact O-CA 3.43Å; G69-Q91 WeakPolarHBondContact O-CG 3.18Å; V70-Q91 HydrophobicContact CG2-CG 3.94Å; Q91-D93 PolarHBondContact O-N 3.31Å; Q91-D93 VanDerWaalsContact O-N 3.12Å; Q91-L94 HydrophobicContact CB-CD1 3.85Å; Q91-L94 HydrophobicContact CB-CG 3.95Å; Q91-L94 PolarHBondContact O-N 2.87Å; Q91-L94 VanDerWaalsContact O-N 3.15Å; Q91-E138 PolarHBondContact N-O 3.15Å; Q91-S139 VanDerWaalsContact O-CA 3.29Å; Q91-S139 WeakPolarHBondContact O-CA 2.96Å
92P87.9Confident89.6Confident0 Ų056.6 Ų56.60%028%0.284CS..G310 helixtrans-62.8-23-174.328.5-34.6000112.4V71 G90 L94 C95 Y98 M141V71-P92 HydrophobicContact CB-CG 4.12Å; V71-P92 HydrophobicContact CG2-CG 3.71Å; G90-P92 VanDerWaalsContact O-CD 3.28Å; G90-P92 WeakPolarHBondContact O-CD 3.22Å; P92-L94 PolarHBondContact O-N 3.34Å; P92-C95 WeakPolarHBondContact O-CB 3.47Å; P92-C95 PolarHBondContact O-N 3.19Å; P92-Y98 HydrophobicContact CB-CD1 3.79Å; P92-Y98 HydrophobicContact CB-CD2 3.83Å; P92-Y98 HydrophobicContact CB-CE1 3.84Å; P92-Y98 HydrophobicContact CB-CE2 3.88Å; P92-Y98 HydrophobicContact CB-CG 3.81Å; P92-Y98 HydrophobicContact CG-CD1 4.15Å; P92-Y98 HydrophobicContact CG-CE1 3.77Å; P92-Y98 HydrophobicContact CG-CE2 4.34Å; P92-Y98 WeakPolarHBondContact O-CB 3.4Å; P92-M141 HydrophobicContact CB-CE 4.43Å; P92-M141 HydrophobicContact CG-CE 4.09Å
93D86.1Confident89.5Confident92 Ų9253.6 Ų53.649%0.49227%0.271SS..G310 helixtrans-65.4-23.5178.5-57.6-33.3000113.7Q91 C95 Y98Q91-D93 PolarHBondContact O-N 3.31Å; Q91-D93 VanDerWaalsContact O-N 3.12Å; D93-C95 PolarHBondContact O-N 3.2Å; D93-C95 VanDerWaalsContact O-N 3.14Å; D93-Y98 VanDerWaalsContact OD1-CD1 3.3Å; D93-Y98 WeakPolarHBondContact OD1-CD1 3.03Å; D93-Y98 WeakPolarHBondContact OD1-CE1 3.05Å
94L87.4Confident89.1Confident87 Ų8752.7 Ų52.746%0.45526%0.262SS..G310 helixtrans-68.5-8.1172-62.7-179.8000112.5Q91 P92 P136 E138Q91-L94 HydrophobicContact CB-CD1 3.85Å; Q91-L94 HydrophobicContact CB-CG 3.95Å; Q91-L94 PolarHBondContact O-N 2.87Å; Q91-L94 VanDerWaalsContact O-N 3.15Å; P92-L94 PolarHBondContact O-N 3.34Å; L94-P136 HydrophobicContact CD1-CG 4.44Å; L94-E138 HydrophobicContact CD1-CB 3.94Å
95C85.8Confident88.7Confident3 Ų355.2 Ų55.22%0.0228%0.279CS..  trans-98.6120.2-179.4-1600000111P92 D93 A97 Y98 C133 A135P92-C95 WeakPolarHBondContact O-CB 3.47Å; P92-C95 PolarHBondContact O-N 3.19Å; D93-C95 PolarHBondContact O-N 3.2Å; D93-C95 VanDerWaalsContact O-N 3.14Å; C95-A97 PolarHBondContact O-N 3.21Å; C95-A97 VanDerWaalsContact O-N 3.08Å; C95-Y98 WeakPolarHBondContact O-CA 3.36Å; C95-Y98 WeakPolarHBondContact O-CB 3.49Å; C95-Y98 PolarHBondContact O-N 2.9Å; C95-C133 HydrophobicContact CB-CB 4.39Å; C95-C133 WeakPolarHBondContact CB-SG 3.49Å; C95-C133 WeakPolarHBondContact SG-CA 3.49Å; C95-C133 WeakPolarHBondContact SG-CB 3.45Å; C95-C133 CovalentContact SG-SG 2.03Å; C95-C133 PolarHBondContact SG-SG 2.89Å; C95-A135 HydrophobicContact CB-CB 4.29Å
96Q82.9Confident88.4Confident180 Ų18062 Ų6284%0.84130%0.304SS*.G310 helixtrans-57.7-28.7174-168.2179.59.200112.3Y98 S99Q96-Y98 PolarHBondContact O-N 2.03Å; Q96-Y98 VanDerWaalsContact O-N 3.09Å; Q96-S99 WeakPolarHBondContact O-CB 3.3Å; Q96-S99 PolarHBondContact O-N 3Å; Q96-S99 PolarHBondContact O-OG 3.43Å
97A81.6Confident88Confident32 Ų3262.1 Ų62.126%0.26431%0.305SS..G310 helixtrans-72.81017400000114.3C95 A103 S132C95-A97 PolarHBondContact O-N 3.21Å; C95-A97 VanDerWaalsContact O-N 3.08Å; A97-A103 VanDerWaalsContact O-CB 3.28Å; A97-A103 WeakPolarHBondContact O-CB 3.26Å; A97-S132 WeakPolarHBondContact CB-O 3.42Å
98Y85.5Confident87.7Confident19 Ų1959.4 Ų59.48%0.07530%0.295CS..G310 helixtrans-123.614.7176.1-159.5-100.9000112.3P92 D93 C95 Q96 Q104 H107 W108P92-Y98 HydrophobicContact CB-CD1 3.79Å; P92-Y98 HydrophobicContact CB-CD2 3.83Å; P92-Y98 HydrophobicContact CB-CE1 3.84Å; P92-Y98 HydrophobicContact CB-CE2 3.88Å; P92-Y98 HydrophobicContact CB-CG 3.81Å; P92-Y98 HydrophobicContact CG-CD1 4.15Å; P92-Y98 HydrophobicContact CG-CE1 3.77Å; P92-Y98 HydrophobicContact CG-CE2 4.34Å; P92-Y98 WeakPolarHBondContact O-CB 3.4Å; D93-Y98 VanDerWaalsContact OD1-CD1 3.3Å; D93-Y98 WeakPolarHBondContact OD1-CD1 3.03Å; D93-Y98 WeakPolarHBondContact OD1-CE1 3.05Å; C95-Y98 WeakPolarHBondContact O-CA 3.36Å; C95-Y98 WeakPolarHBondContact O-CB 3.49Å; C95-Y98 PolarHBondContact O-N 2.9Å; Q96-Y98 PolarHBondContact O-N 2.03Å; Q96-Y98 VanDerWaalsContact O-N 3.09Å; Y98-Q104 HydrophobicContact CD1-CG 3.75Å; Y98-Q104 HydrophobicContact CD2-CB 4.08Å; Y98-Q104 HydrophobicContact CD2-CG 3.74Å; Y98-Q104 HydrophobicContact CE1-CB 4.44Å; Y98-Q104 HydrophobicContact CE1-CG 3.57Å; Y98-Q104 HydrophobicContact CE2-CB 3.65Å; Y98-Q104 HydrophobicContact CE2-CG 3.57Å; Y98-Q104 HydrophobicContact CG-CG 3.81Å; Y98-Q104 VanDerWaalsContact CZ-CG 3.46Å; Y98-Q104 WeakPolarHBondContact O-CG 3.05Å; Y98-Q104 PolarHBondContact O-NE2 3.02Å; Y98-H107 HydrophobicContact CD2-CB 3.72Å; Y98-H107 AromaticContact CD2-CG 3.7Å; Y98-H107 HydrophobicContact CE2-CB 4.03Å; Y98-W108 HydrophobicContact CE2-CZ2 4.48Å; Y98-W108 AromaticContact CE2-NE1 3.69Å; Y98-W108 AromaticContact CZ-NE1 3.82Å; Y98-W108 PolarHBondContact OH-NE1 2.76Å
99S83.8Confident87.5Confident92 Ų9267.2 Ų67.264%0.64333%0.329SS*.SBendtrans-70-32.6-172.857.70000115.4Q96Q96-S99 WeakPolarHBondContact O-CB 3.3Å; Q96-S99 PolarHBondContact O-N 3Å; Q96-S99 PolarHBondContact O-OG 3.43Å
100D86.9Confident87.4Confident80 Ų8069.2 Ų69.243%0.42834%0.337SS..SBendtrans-124.2164-176.57646000112.6K102 A103 Q104D100-K102 VanDerWaalsContact C-N 3.28Å; D100-K102 PolarHBondContact O-N 2.82Å; D100-K102 WeakPolarHBondContact OD1-CA 3.06Å; D100-K102 WeakPolarHBondContact OD1-CB 3.38Å; D100-K102 PolarHBondContact OD1-N 3.46Å; D100-A103 WeakPolarHBondContact O-CB 3.28Å; D100-A103 PolarHBondContact O-N 3.12Å; D100-A103 VanDerWaalsContact O-N 3.08Å; D100-A103 WeakPolarHBondContact OD1-CB 3.43Å; D100-A103 PolarHBondContact OD1-N 3.47Å; D100-Q104 VanDerWaalsContact O-CG 3.27Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 3.24Å
101R85.1Confident87.3Confident124 Ų12469 Ų6947%0.46833%0.334SS..Hα-helixtrans-56.7-36.3-178.4-72-147.7-71.5146.4-3.1113.8N45 V47 V105N45-R101 VanDerWaalsContact CA-NH1 3.25Å; N45-R101 VanDerWaalsContact O-CZ 3.31Å; N45-R101 PolarHBondContact O-NH1 3.21Å; N45-R101 PolarHBondContact OD1-NH1 3.25Å; N45-R101 PolarHBondContact OD1-NH2 3.05Å; V47-R101 HydrophobicContact CG2-CB 4.2Å; V47-R101 HydrophobicContact CG2-CG 3.84Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 3.08Å
102K87.8Confident87.4Confident170 Ų17066.7 Ų66.774%0.73932%0.324SS*.Hα-helixtrans-70.1-39.5179-65.1-179.3-179.9177.70110.7D100 V105 R106D100-K102 VanDerWaalsContact C-N 3.28Å; D100-K102 PolarHBondContact O-N 2.82Å; D100-K102 WeakPolarHBondContact OD1-CA 3.06Å; D100-K102 WeakPolarHBondContact OD1-CB 3.38Å; D100-K102 PolarHBondContact OD1-N 3.46Å; K102-V105 PolarHBondContact O-N 3.26Å; K102-R106 WeakPolarHBondContact O-CB 3.1Å; K102-R106 PolarHBondContact O-N 3.14Å
103A86.9Confident87.7Confident7 Ų768 Ų686%0.05834%0.338CS..Hα-helixtrans-63.7-43.5176.100000110.6A97 D100 R106 H107A97-A103 VanDerWaalsContact O-CB 3.28Å; A97-A103 WeakPolarHBondContact O-CB 3.26Å; D100-A103 WeakPolarHBondContact O-CB 3.28Å; D100-A103 PolarHBondContact O-N 3.12Å; D100-A103 VanDerWaalsContact O-N 3.08Å; D100-A103 WeakPolarHBondContact OD1-CB 3.43Å; D100-A103 PolarHBondContact OD1-N 3.47Å; A103-R106 PolarHBondContact O-N 3.02Å; A103-H107 WeakPolarHBondContact O-CB 3.24Å; A103-H107 PolarHBondContact O-N 2.7Å
104Q86.9Confident88Confident40 Ų4067.2 Ų67.219%0.18733%0.33CS..Hα-helixtrans-61.5-47.4174.5-62.4-179.413.300112.2V47 Y98 D100 R106 H107 W108V47-Q104 HydrophobicContact CG1-CB 3.63Å; V47-Q104 HydrophobicContact CG2-CB 4.11Å; Y98-Q104 HydrophobicContact CD1-CG 3.75Å; Y98-Q104 HydrophobicContact CD2-CB 4.08Å; Y98-Q104 HydrophobicContact CD2-CG 3.74Å; Y98-Q104 HydrophobicContact CE1-CB 4.44Å; Y98-Q104 HydrophobicContact CE1-CG 3.57Å; Y98-Q104 HydrophobicContact CE2-CB 3.65Å; Y98-Q104 HydrophobicContact CE2-CG 3.57Å; Y98-Q104 HydrophobicContact CG-CG 3.81Å; Y98-Q104 VanDerWaalsContact CZ-CG 3.46Å; Y98-Q104 WeakPolarHBondContact O-CG 3.05Å; Y98-Q104 PolarHBondContact O-NE2 3.02Å; D100-Q104 VanDerWaalsContact O-CG 3.27Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 3.24Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 3.32Å; Q104-H107 WeakPolarHBondContact O-CB 3.25Å; Q104-H107 PolarHBondContact O-N 2.82Å; Q104-W108 PolarHBondContact O-N 3.41Å; Q104-W108 VanDerWaalsContact O-N 3.07Å
105V87.5Confident88.3Confident64 Ų6463 Ų6339%0.38831%0.308SS..Hα-helixtrans-58-44.3175.1173.40000111.3P48 R101 K102 W108 K109P48-V105 VanDerWaalsContact CD-CG2 3.45Å; P48-V105 HydrophobicContact CG-CB 4.43Å; P48-V105 HydrophobicContact CG-CG1 4.38Å; P48-V105 HydrophobicContact CG-CG2 3.95Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 3.08Å; K102-V105 PolarHBondContact O-N 3.26Å; V105-W108 PolarHBondContact O-N 3.27Å; V105-K109 WeakPolarHBondContact O-CB 3.2Å; V105-K109 PolarHBondContact O-N 3.43Å
106R88.4Confident88.7Confident153 Ų15368.8 Ų68.858%0.57733%0.333SS*.Hα-helixtrans-63.3-42.4178.1-174.2-171.7-65.2140.1-3.2111.4K102 A103 Q104 K109 Q110K102-R106 WeakPolarHBondContact O-CB 3.1Å; K102-R106 PolarHBondContact O-N 3.14Å; A103-R106 PolarHBondContact O-N 3.02Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 3.32Å; R106-K109 PolarHBondContact O-N 2.83Å; R106-Q110 WeakPolarHBondContact O-CG 3.39Å; R106-Q110 PolarHBondContact O-N 2.86Å
107H88.8Confident89.2Confident4 Ų468.3 Ų68.32%0.01933%0.328CS..Hα-helixtrans-57.5-52178-175.9101.7000111Y98 A103 Q104 K109 Q110 L111 T130Y98-H107 HydrophobicContact CD2-CB 3.72Å; Y98-H107 AromaticContact CD2-CG 3.7Å; Y98-H107 HydrophobicContact CE2-CB 4.03Å; A103-H107 WeakPolarHBondContact O-CB 3.24Å; A103-H107 PolarHBondContact O-N 2.7Å; Q104-H107 WeakPolarHBondContact O-CB 3.25Å; Q104-H107 PolarHBondContact O-N 2.82Å; H107-K109 PolarHBondContact O-N 3.46Å; H107-Q110 WeakPolarHBondContact O-CB 3.4Å; H107-Q110 PolarHBondContact O-N 2.9Å; H107-Q110 VanDerWaalsContact O-N 3.15Å; H107-L111 WeakPolarHBondContact NE2-CD1 3.43Å; H107-L111 PolarHBondContact O-N 2.65Å; H107-T130 PolarHBondContact CE1-OG1 3.21Å
108W89.4Confident89.8Confident3 Ų368.6 Ų68.61%0.01132%0.322CS..Hα-helixtrans-63.5-40.4178.1-66.3116.4000112.3W63 T65 V71 L73 Y98 Q104 V105 Q110 L111 V112 M141W63-W108 HydrophobicContact CH2-CB 3.99Å; W63-W108 HydrophobicContact CH2-CG 4.22Å; W63-W108 HydrophobicContact CZ3-CD2 4.28Å; W63-W108 HydrophobicContact CZ3-CE3 4.19Å; W63-W108 HydrophobicContact CZ3-CG 4.43Å; T65-W108 HydrophobicContact CG2-CD2 4.25Å; T65-W108 HydrophobicContact CG2-CE3 3.95Å; T65-W108 HydrophobicContact CG2-CH2 3.32Å; T65-W108 HydrophobicContact CG2-CZ2 3.65Å; T65-W108 HydrophobicContact CG2-CZ3 3.48Å; T65-W108 VanDerWaalsContact CG2-CZ3 3.48Å; V71-W108 HydrophobicContact CG1-CH2 3.81Å; V71-W108 HydrophobicContact CG1-CZ2 3.97Å; L73-W108 HydrophobicContact CB-CZ3 4.31Å; L73-W108 HydrophobicContact CD1-CZ3 4.11Å; L73-W108 HydrophobicContact CD2-CZ3 4.3Å; L73-W108 HydrophobicContact CG-CZ3 4.48Å; Y98-W108 HydrophobicContact CE2-CZ2 4.48Å; Y98-W108 AromaticContact CE2-NE1 3.69Å; Y98-W108 AromaticContact CZ-NE1 3.82Å; Y98-W108 PolarHBondContact OH-NE1 2.76Å; Q104-W108 PolarHBondContact O-N 3.41Å; Q104-W108 VanDerWaalsContact O-N 3.07Å; V105-W108 PolarHBondContact O-N 3.27Å; W108-Q110 VanDerWaalsContact C-N 3.26Å; W108-Q110 PolarHBondContact O-N 2.77Å; W108-L111 HydrophobicContact CE3-CD1 3.77Å; W108-L111 HydrophobicContact CZ3-CD1 3.69Å; W108-L111 PolarHBondContact O-N 3.06Å; W108-V112 WeakPolarHBondContact O-CB 3.11Å; W108-V112 VanDerWaalsContact O-CG2 3.28Å; W108-V112 WeakPolarHBondContact O-CG2 3.44Å; W108-V112 PolarHBondContact O-N 2.83Å; W108-M141 HydrophobicContact CH2-CE 3.97Å
109K90.9Very high90Very high165 Ų16577 Ų7772%0.71735%0.354SS*.Hα-helixtrans-59-37.5174.6-171.4174.2-177.1175.20112.2V105 R106 H107 G113V105-K109 WeakPolarHBondContact O-CB 3.2Å; V105-K109 PolarHBondContact O-N 3.43Å; R106-K109 PolarHBondContact O-N 2.83Å; H107-K109 PolarHBondContact O-N 3.46Å; K109-G113 WeakPolarHBondContact O-CA 3.06Å; K109-G113 PolarHBondContact O-N 3.37Å
110Q91.8Very high90.4Very high65 Ų6573.3 Ų73.330%0.30433%0.328SS..Hα-helixtrans-69.9-43.4177-74.1172.2-4000112.1R106 H107 W108 G113 K114 T130 S132R106-Q110 WeakPolarHBondContact O-CG 3.39Å; R106-Q110 PolarHBondContact O-N 2.86Å; H107-Q110 WeakPolarHBondContact O-CB 3.4Å; H107-Q110 PolarHBondContact O-N 2.9Å; H107-Q110 VanDerWaalsContact O-N 3.15Å; W108-Q110 VanDerWaalsContact C-N 3.26Å; W108-Q110 PolarHBondContact O-N 2.77Å; Q110-G113 PolarHBondContact O-N 2.85Å; Q110-K114 PolarHBondContact O-N 3.07Å; Q110-T130 HydrophobicContact CB-CG2 3.92Å; Q110-T130 HydrophobicContact CG-CG2 4.4Å; Q110-S132 PolarHBondContact OE1-OG 2.87Å; Q110-S132 VanDerWaalsContact OE1-OG 3.11Å
111L91.9Very high90.7Very high0 Ų069.5 Ų69.50%031%0.308CS..Hα-helixtrans-63.6-50.7176.6-68.9179.8000111.7H107 W108 G113 K114 L115 L128 T130 M141H107-L111 WeakPolarHBondContact NE2-CD1 3.43Å; H107-L111 PolarHBondContact O-N 2.65Å; W108-L111 HydrophobicContact CE3-CD1 3.77Å; W108-L111 HydrophobicContact CZ3-CD1 3.69Å; W108-L111 PolarHBondContact O-N 3.06Å; L111-G113 VanDerWaalsContact C-N 3.27Å; L111-G113 PolarHBondContact O-N 3.05Å; L111-K114 WeakPolarHBondContact O-CB 3.36Å; L111-K114 PolarHBondContact O-N 2.86Å; L111-L115 PolarHBondContact O-N 3.34Å; L111-L115 VanDerWaalsContact O-N 3.07Å; L111-L128 HydrophobicContact CD2-CB 3.71Å; L111-T130 WeakPolarHBondContact CD2-OG1 3.44Å; L111-M141 HydrophobicContact CD1-CG 3.99Å
112V93.1Very high91.1Very high20 Ų2064 Ų6412%0.12129%0.288CS..Hα-helixtrans-61.5-39.2176.8175.80000110.6F53 W63 W108 K114 L115 K116F53-V112 HydrophobicContact CB-CG1 3.97Å; F53-V112 HydrophobicContact CD1-CG1 3.82Å; F53-V112 HydrophobicContact CG-CG1 3.97Å; W63-V112 HydrophobicContact CD2-CG2 3.95Å; W63-V112 HydrophobicContact CG-CG2 4.19Å; W63-V112 HydrophobicContact CZ2-CG2 3.9Å; W108-V112 WeakPolarHBondContact O-CB 3.11Å; W108-V112 VanDerWaalsContact O-CG2 3.28Å; W108-V112 WeakPolarHBondContact O-CG2 3.44Å; W108-V112 PolarHBondContact O-N 2.83Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 3.17Å; V112-L115 PolarHBondContact O-N 2.74Å; V112-K116 WeakPolarHBondContact O-CB 3.49Å; V112-K116 PolarHBondContact O-N 3.46Å
113G93.4Very high91Very high28 Ų2859.9 Ų59.929%0.28927%0.274SS..Hα-helixtrans-60.8-33.5174.600000113.6K109 Q110 L111 K117K109-G113 WeakPolarHBondContact O-CA 3.06Å; K109-G113 PolarHBondContact O-N 3.37Å; Q110-G113 PolarHBondContact O-N 2.85Å; L111-G113 VanDerWaalsContact C-N 3.27Å; L111-G113 PolarHBondContact O-N 3.05Å; G113-K117 WeakPolarHBondContact O-CG 3.29Å
114K92.6Very high90.9Very high75 Ų7562.4 Ų62.433%0.32630%0.3SS..Hα-helixtrans-70.2-44.3172.1-76.1-173.5166.5-161.90111.9Q110 L111 V112 K116 K117 K129Q110-K114 PolarHBondContact O-N 3.07Å; L111-K114 WeakPolarHBondContact O-CB 3.36Å; L111-K114 PolarHBondContact O-N 2.86Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 3.17Å; K114-K116 VanDerWaalsContact C-N 3.31Å; K114-K116 PolarHBondContact O-N 2.86Å; K114-K117 PolarHBondContact O-N 3.17Å; K114-K129 WeakPolarHBondContact CD-O 3.37Å; K114-K129 WeakPolarHBondContact CE-O 3.4Å; K114-K129 PolarHBondContact NZ-O 3.31Å
115L94.1Very high90.9Very high0 Ų065.1 Ų65.10%031%0.313CS..Hα-helixtrans-61.5-40.8177.7-66.2171.4000111.6F53 L73 V75 L111 V112 K117 R118 A121 L128F53-L115 HydrophobicContact CE1-CB 4.46Å; F53-L115 HydrophobicContact CE1-CD1 4.4Å; F53-L115 HydrophobicContact CE2-CB 3.8Å; F53-L115 HydrophobicContact CZ-CB 3.7Å; F53-L115 HydrophobicContact CZ-CD1 4.17Å; L73-L115 HydrophobicContact CD2-CD1 4.48Å; V75-L115 HydrophobicContact CG2-CD1 3.87Å; L111-L115 PolarHBondContact O-N 3.34Å; L111-L115 VanDerWaalsContact O-N 3.07Å; V112-L115 PolarHBondContact O-N 2.74Å; L115-K117 PolarHBondContact O-N 3.04Å; L115-R118 WeakPolarHBondContact O-CB 3.39Å; L115-R118 PolarHBondContact O-N 2.91Å; L115-R118 VanDerWaalsContact O-N 3.12Å; L115-A121 HydrophobicContact CD2-CB 4.49Å; L115-A121 VanDerWaalsContact CD2-O 3.22Å; L115-A121 WeakPolarHBondContact CD2-O 3.26Å; L115-L128 HydrophobicContact CD1-CD1 4.39Å; L115-L128 HydrophobicContact CD2-CD1 4Å; L115-L128 HydrophobicContact CD2-CD2 4.04Å; L115-L128 HydrophobicContact CG-CD1 4.33Å
116K94Very high91Very high124 Ų12469.4 Ų69.454%0.53933%0.327SS..Hα-helixtrans-56.4-36.5176.9-159.9-173.5176.8173.20113F53 S54 T55 K56 V112 K114 R118F53-K116 HydrophobicContact CD2-CB 4.31Å; S54-K116 WeakPolarHBondContact O-CG 3.46Å; T55-K116 CarbonylContact C-O 3.57Å; K56-K116 PolarHBondContact N-O 2.92Å; K56-K116 VanDerWaalsContact N-O 3.14Å; V112-K116 WeakPolarHBondContact O-CB 3.49Å; V112-K116 PolarHBondContact O-N 3.46Å; K114-K116 VanDerWaalsContact C-N 3.31Å; K114-K116 PolarHBondContact O-N 2.86Å; K116-R118 VanDerWaalsContact C-N 3.3Å; K116-R118 PolarHBondContact O-N 2.99Å
117K92.8Very high91.2Very high170 Ų17063.4 Ų63.474%0.73931%0.307SS*.THydrogen-bonded Turntrans-77.4-13.9-177.4-69.9176.6-177.3-169.10113.6G113 K114 L115G113-K117 WeakPolarHBondContact O-CG 3.29Å; K114-K117 PolarHBondContact O-N 3.17Å; L115-K117 PolarHBondContact O-N 3.04Å
118R93.5Very high91.2Very high38 Ų3863.3 Ų63.314%0.14331%0.307CS..SBendtrans-77.4155.6178.6-63.1174.5170.3-162.9-5.7110.3T55 K56 Y88 L115 K116 S120 A121 D123 E125 L128T55-R118 WeakPolarHBondContact CB-O 3.32Å; K56-R118 WeakPolarHBondContact CB-O 3.29Å; K56-R118 PolarHBondContact N-O 2.65Å; Y88-R118 PolarHBondContact OH-NH1 3.29Å; L115-R118 WeakPolarHBondContact O-CB 3.39Å; L115-R118 PolarHBondContact O-N 2.91Å; L115-R118 VanDerWaalsContact O-N 3.12Å; K116-R118 VanDerWaalsContact C-N 3.3Å; K116-R118 PolarHBondContact O-N 2.99Å; R118-S120 WeakPolarHBondContact CB-O 3.19Å; R118-A121 PolarHBondContact NH1-O 2.8Å; R118-D123 WeakPolarHBondContact CD-O 3.43Å; R118-E125 PolarHBondContact NH2-O 3.15Å; R118-L128 VanDerWaalsContact NH2-CD2 3.31Å
119R91.5Very high91Very high196 Ų19667.3 Ų67.374%0.7432%0.324SS*.SBendtrans-66.7-49.3168.7-69.3-171.6177.9-168-0.2110.1T55 V57T55-R119 WeakPolarHBondContact CB-O 3.28Å; T55-R119 PolarHBondContact OG1-O 2.91Å; V57-R119 HydrophobicContact CG1-CB 3.99Å; V57-R119 HydrophobicContact CG1-CG 4.02Å; V57-R119 WeakPolarHBondContact CG2-O 3.45Å
120S91.6Very high90.6Very high14 Ų1459.9 Ų59.910%0.09829%0.292CS..SBendtrans-118.9135.7170.2155.50000108.7Y84 R118 C122 D123Y84-S120 WeakPolarHBondContact CE2-OG 3.15Å; R118-S120 WeakPolarHBondContact CB-O 3.19Å; S120-C122 PolarHBondContact O-N 3.22Å; S120-D123 WeakPolarHBondContact CB-OD2 3.39Å; S120-D123 PolarHBondContact O-N 2.85Å; S120-D123 PolarHBondContact OG-OD2 3.43Å
121A93.3Very high89.8Confident0 Ų068.2 Ų68.20%032%0.321CS..THydrogen-bonded Turntrans-60.8-32.8-17500000112.3F53 T55 V75 C77 Y84 L115 R118F53-A121 HydrophobicContact CE2-CB 4.06Å; F53-A121 HydrophobicContact CZ-CB 3.87Å; T55-A121 HydrophobicContact CG2-CB 4.07Å; V75-A121 HydrophobicContact CG1-CB 3.95Å; C77-A121 VanDerWaalsContact SG-CB 3.55Å; Y84-A121 HydrophobicContact CE2-CB 4.41Å; Y84-A121 PolarHBondContact OH-N 3Å; L115-A121 HydrophobicContact CD2-CB 4.49Å; L115-A121 VanDerWaalsContact CD2-O 3.22Å; L115-A121 WeakPolarHBondContact CD2-O 3.26Å; R118-A121 PolarHBondContact NH1-O 2.8Å
122C92.3Very high88.6Confident7 Ų770.7 Ų70.75%0.04734%0.339CS..THydrogen-bonded Turntrans-91.6-6-175.7-58.80000114Y84 C86 S120Y84-C122 HydrophobicContact CD2-CB 4.08Å; Y84-C122 HydrophobicContact CE2-CB 4.21Å; C86-C122 HydrophobicContact CB-CB 3.63Å; C86-C122 WeakPolarHBondContact CB-SG 2.94Å; C86-C122 PolarHBondContact N-SG 2.03Å; C86-C122 VanDerWaalsContact N-SG 3.36Å; C86-C122 WeakPolarHBondContact SG-CA 3.31Å; C86-C122 WeakPolarHBondContact SG-CB 3.33Å; C86-C122 CovalentContact SG-SG 2.04Å; C86-C122 PolarHBondContact SG-SG 2.89Å; S120-C122 PolarHBondContact O-N 3.22Å
123D86.7Confident87.7Confident85 Ų8570.2 Ų70.246%0.45534%0.336SS..SBendtrans-103.4129.1179.3-61.3-42.5000110.3R118 S120 K146R118-D123 WeakPolarHBondContact CD-O 3.43Å; S120-D123 WeakPolarHBondContact CB-OD2 3.39Å; S120-D123 PolarHBondContact O-N 2.85Å; S120-D123 PolarHBondContact OG-OD2 3.43Å; D123-K146 IonicContact OD1-NZ 3.56Å
124G85.2Confident86.7Confident59 Ų5979.1 Ų79.161%0.60837%0.367SS*.SBendtrans138-156.6-177.900000113K126G124-K126 PolarHBondContact O-N 3.02Å
125E87.3Confident85.7Confident98 Ų9876.6 Ų76.646%0.45836%0.36SS..  trans-56.1126.8177.7-166.5-178.1179.300110.2R118 V127 K129R118-E125 PolarHBondContact NH2-O 3.15Å; E125-V127 VanDerWaalsContact CD-O 3.28Å; E125-V127 WeakPolarHBondContact CG-O 3.1Å; E125-V127 PolarHBondContact O-N 3.07Å; E125-K129 WeakPolarHBondContact OE1-CE 3.48Å; E125-K129 IonicContact OE1-NZ 3.49Å; E125-K129 PolarHBondContact OE1-NZ 3.15Å
126K89.1Confident84.8Confident154 Ų15480 Ų8067%0.6738%0.382SS*.SBendtrans-66.1-14.5178.6-63-178.2-177.2176.20112.4G124 K142 L143G124-K126 PolarHBondContact O-N 3.02Å; K126-K142 CarbonylContact O-C 3.5Å; K126-L143 HydrophobicContact CB-CB 4.21Å; K126-L143 HydrophobicContact CG-CD2 4.4Å; K126-L143 WeakPolarHBondContact O-CB 3.33Å; K126-L143 PolarHBondContact O-N 3.23Å
127V91.2Very high84Confident27 Ų2779.3 Ų79.316%0.16438%0.382CS..EExtended strand (participates in β ladder)trans-115.4116.5178.4-174.50000109.1E125 K129 H140 M141 K142E125-V127 VanDerWaalsContact CD-O 3.28Å; E125-V127 WeakPolarHBondContact CG-O 3.1Å; E125-V127 PolarHBondContact O-N 3.07Å; V127-K129 HydrophobicContact CG1-CG 3.87Å; V127-K129 PolarHBondContact O-N 3.41Å; V127-H140 HydrophobicContact CG1-CB 3.61Å; V127-M141 CarbonylContact C-O 3.57Å; V127-M141 WeakPolarHBondContact CA-O 3.06Å; V127-K142 HydrophobicContact CG1-CG 4.36Å; V127-K142 HydrophobicContact CG2-CG 4.18Å
128L89.1Confident83.4Confident2 Ų275.7 Ų75.71%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-86.797.4172.7-57.8174.2000109.2L73 Y88 L111 L115 R118 M141L73-L128 HydrophobicContact CD2-CD1 4.17Å; Y88-L128 HydrophobicContact CD1-CD1 3.69Å; Y88-L128 HydrophobicContact CD1-CG 3.86Å; Y88-L128 HydrophobicContact CD2-CD1 4.1Å; Y88-L128 HydrophobicContact CE1-CD1 3.61Å; Y88-L128 HydrophobicContact CE1-CD2 4.3Å; Y88-L128 HydrophobicContact CE1-CG 3.6Å; Y88-L128 HydrophobicContact CE2-CD1 4.01Å; Y88-L128 HydrophobicContact CG-CD1 3.96Å; L111-L128 HydrophobicContact CD2-CB 3.71Å; L115-L128 HydrophobicContact CD1-CD1 4.39Å; L115-L128 HydrophobicContact CD2-CD1 4Å; L115-L128 HydrophobicContact CD2-CD2 4.04Å; L115-L128 HydrophobicContact CG-CD1 4.33Å; R118-L128 VanDerWaalsContact NH2-CD2 3.31Å; L128-M141 HydrophobicContact CB-CB 4.1Å; L128-M141 PolarHBondContact N-O 3.45Å; L128-M141 PolarHBondContact O-N 3.35Å
129K85.6Confident82.9Confident87 Ų8774 Ų7438%0.37836%0.361SS..  trans-84.5148.4176.4-58.5179.8-175.81650111.4K114 E125 V127K114-K129 WeakPolarHBondContact CD-O 3.37Å; K114-K129 WeakPolarHBondContact CE-O 3.4Å; K114-K129 PolarHBondContact NZ-O 3.31Å; E125-K129 WeakPolarHBondContact OE1-CE 3.48Å; E125-K129 IonicContact OE1-NZ 3.49Å; E125-K129 PolarHBondContact OE1-NZ 3.15Å; V127-K129 HydrophobicContact CG1-CG 3.87Å; V127-K129 PolarHBondContact O-N 3.41Å
130T81.8Confident82.8Confident8 Ų865.8 Ų65.85%0.04933%0.331CS..  trans-109.1130.5171.4-58.30000108.9H107 Q110 L111 S132 C133H107-T130 PolarHBondContact CE1-OG1 3.21Å; Q110-T130 HydrophobicContact CB-CG2 3.92Å; Q110-T130 HydrophobicContact CG-CG2 4.4Å; L111-T130 WeakPolarHBondContact CD2-OG1 3.44Å; T130-S132 WeakPolarHBondContact CG2-OG 3.28Å; T130-S132 PolarHBondContact O-N 2.97Å; T130-S132 VanDerWaalsContact O-N 3.15Å; T130-C133 PolarHBondContact O-N 3.44Å
131R75.5Confident82.8Confident240 Ų24065.1 Ų65.191%0.90633%0.327SS*.THydrogen-bonded Turntrans-57.1-31.9-175.4-78-172.9171.2-168.9-3.1113.4C133R131-C133 VanDerWaalsContact C-N 3.34Å
132S66.9Low82.8Confident53 Ų5368 Ų6837%0.37134%0.34SS..THydrogen-bonded Turntrans-84.2-6.6-178.746.40000113.9A97 Q110 T130 K134A97-S132 WeakPolarHBondContact CB-O 3.42Å; Q110-S132 PolarHBondContact OE1-OG 2.87Å; Q110-S132 VanDerWaalsContact OE1-OG 3.11Å; T130-S132 WeakPolarHBondContact CG2-OG 3.28Å; T130-S132 PolarHBondContact O-N 2.97Å; T130-S132 VanDerWaalsContact O-N 3.15Å; S132-K134 PolarHBondContact O-N 3.41Å
133C73.6Confident83Confident10 Ų1069.5 Ų69.57%0.06835%0.346CS..  trans-98.987.9-174.4-1620000111.1C95 T130 R131 A135C95-C133 HydrophobicContact CB-CB 4.39Å; C95-C133 WeakPolarHBondContact CB-SG 3.49Å; C95-C133 WeakPolarHBondContact SG-CA 3.49Å; C95-C133 WeakPolarHBondContact SG-CB 3.45Å; C95-C133 CovalentContact SG-SG 2.03Å; C95-C133 PolarHBondContact SG-SG 2.89Å; T130-C133 PolarHBondContact O-N 3.44Å; R131-C133 VanDerWaalsContact C-N 3.34Å; C133-A135 VanDerWaalsContact C-N 3.3Å; C133-A135 PolarHBondContact O-N 2.98Å
134K72.6Confident83.4Confident215 Ų21572.4 Ų72.494%0.93536%0.355SS*.  trans-82.877.2167.1-71.2-178.3179.3178.10108.5S132S132-K134 PolarHBondContact O-N 3.41Å
135A72.9Confident83.8Confident22 Ų2273.6 Ų73.618%0.18235%0.345CS..SBendtrans-141.6166.5-177.100000110.1C95 C133 S139C95-A135 HydrophobicContact CB-CB 4.29Å; C133-A135 VanDerWaalsContact C-N 3.3Å; C133-A135 PolarHBondContact O-N 2.98Å; A135-S139 WeakPolarHBondContact CB-OG 3.47Å
136P74.9Confident84.2Confident71 Ų7174.8 Ų74.846%0.46135%0.349SS..  trans-62160.4-177.927.9-37.3000111.3L94 E138 S139L94-P136 HydrophobicContact CD1-CG 4.44Å; P136-E138 WeakPolarHBondContact CB-OE2 3.26Å; P136-E138 PolarHBondContact O-N 3.3Å; P136-S139 VanDerWaalsContact O-CB 3.32Å; P136-S139 WeakPolarHBondContact O-CB 3.27Å; P136-S139 PolarHBondContact O-N 3.3Å; P136-S139 PolarHBondContact O-OG 2.85Å
137M77.2Confident84.3Confident110 Ų11068.4 Ų68.454%0.54233%0.327SS..G310 helixtrans-58.8-23.6-169.8-70.6-168.768.700113.4S139 H140 K142M137-S139 PolarHBondContact O-N 2.83Å; M137-H140 PolarHBondContact O-N 2.98Å; M137-K142 WeakPolarHBondContact O-CE 3.29Å; M137-K142 PolarHBondContact O-NZ 3.5Å
138E79.8Confident84.4Confident94 Ų9474.1 Ų74.144%0.43935%0.349SS..G310 helixtrans-63.2-28.2176.9-66.560.1-124.700112Q91 L94 P136 H140 K142Q91-E138 PolarHBondContact N-O 3.15Å; L94-E138 HydrophobicContact CD1-CB 3.94Å; P136-E138 WeakPolarHBondContact CB-OE2 3.26Å; P136-E138 PolarHBondContact O-N 3.3Å; E138-H140 VanDerWaalsContact C-N 3.28Å; E138-H140 PolarHBondContact O-N 3.12Å; E138-K142 IonicContact OE1-NZ 3.99Å
139S83.5Confident83.9Confident1 Ų174.6 Ų74.61%0.00736%0.355CS..G310 helixtrans-71.6-22.6176700000113.9Q91 A135 P136 M137Q91-S139 VanDerWaalsContact O-CA 3.29Å; Q91-S139 WeakPolarHBondContact O-CA 2.96Å; A135-S139 WeakPolarHBondContact CB-OG 3.47Å; P136-S139 VanDerWaalsContact O-CB 3.32Å; P136-S139 WeakPolarHBondContact O-CB 3.27Å; P136-S139 PolarHBondContact O-N 3.3Å; P136-S139 PolarHBondContact O-OG 2.85Å; M137-S139 PolarHBondContact O-N 2.83Å
140H89.1Confident82.9Confident24 Ų2482 Ų8211%0.11138%0.38CS..SBendtrans-82.1146-178.3-60-30.9000111.2V127 M137 E138 K142V127-H140 HydrophobicContact CG1-CB 3.61Å; M137-H140 PolarHBondContact O-N 2.98Å; E138-H140 VanDerWaalsContact C-N 3.28Å; E138-H140 PolarHBondContact O-N 3.12Å; H140-K142 PolarHBondContact O-N 2.99Å
141M91.6Very high81.7Confident1 Ų184.4 Ų84.41%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-76.8111.3177.9-73.7-63.3158.500110.3V71 T89 G90 P92 W108 L111 V127 L128V71-M141 HydrophobicContact CB-CE 3.94Å; V71-M141 HydrophobicContact CG1-CE 4.26Å; T89-M141 VanDerWaalsContact C-SD 3.57Å; G90-M141 PolarHBondContact N-SD 3.49Å; P92-M141 HydrophobicContact CB-CE 4.43Å; P92-M141 HydrophobicContact CG-CE 4.09Å; W108-M141 HydrophobicContact CH2-CE 3.97Å; L111-M141 HydrophobicContact CD1-CG 3.99Å; V127-M141 CarbonylContact C-O 3.57Å; V127-M141 WeakPolarHBondContact CA-O 3.06Å; L128-M141 HydrophobicContact CB-CB 4.1Å; L128-M141 PolarHBondContact N-O 3.45Å; L128-M141 PolarHBondContact O-N 3.35Å
142K93.7Very high80.2Confident61 Ų6182.4 Ų82.427%0.26540%0.404SS..EExtended strand (participates in β ladder)trans-103.6132.2-178.4-56.9-177.8-174.6167.80110.6Y88 T89 K126 V127 M137 E138 H140 K144Y88-K142 CarbonylContact C-O 3.48Å; Y88-K142 WeakPolarHBondContact CA-O 3.16Å; T89-K142 PolarHBondContact N-O 2.89Å; T89-K142 PolarHBondContact O-N 2.78Å; K126-K142 CarbonylContact O-C 3.5Å; V127-K142 HydrophobicContact CG1-CG 4.36Å; V127-K142 HydrophobicContact CG2-CG 4.18Å; M137-K142 WeakPolarHBondContact O-CE 3.29Å; M137-K142 PolarHBondContact O-NZ 3.5Å; E138-K142 IonicContact OE1-NZ 3.99Å; H140-K142 PolarHBondContact O-N 2.99Å; K142-K144 PolarHBondContact O-N 3.11Å
143L95Very high78.9Confident37 Ų3789.4 Ų89.419%0.19443%0.428CS..EExtended strand (participates in β ladder)trans-62.6122.3175.8-175.669.9000109.1C86 Y88 K126 E145 K146C86-L143 HydrophobicContact CB-CD1 3.51Å; Y88-L143 HydrophobicContact CD1-CB 3.85Å; Y88-L143 HydrophobicContact CD1-CD1 4.21Å; Y88-L143 HydrophobicContact CD2-CD1 4.32Å; Y88-L143 HydrophobicContact CE1-CB 3.68Å; Y88-L143 HydrophobicContact CE1-CD1 3.82Å; Y88-L143 HydrophobicContact CE1-CG 4.32Å; Y88-L143 HydrophobicContact CE2-CD1 3.97Å; Y88-L143 HydrophobicContact CG-CD1 4.43Å; K126-L143 HydrophobicContact CB-CB 4.21Å; K126-L143 HydrophobicContact CG-CD2 4.4Å; K126-L143 WeakPolarHBondContact O-CB 3.33Å; K126-L143 PolarHBondContact O-N 3.23Å; L143-E145 WeakPolarHBondContact CD1-O 3.4Å; L143-K146 HydrophobicContact CD2-CD 4.4Å
144K95.1Very high77.6Confident147 Ų14795.5 Ų95.564%0.63946%0.46SS*.EExtended strand (participates in β ladder)trans-103.6-39.4176-72.3-64-172171.60112.1R87 T89 K142R87-K144 PolarHBondContact O-N 3.04Å; T89-K144 HydrophobicContact CG2-CB 4.39Å; T89-K144 HydrophobicContact CG2-CG 3.58Å; T89-K144 WeakPolarHBondContact OG1-CE 3.47Å; T89-K144 WeakPolarHBondContact OG1-CG 3.44Å; K142-K144 PolarHBondContact O-N 3.11Å
145E94.6Very high76.2Confident84 Ų8490.5 Ų90.539%0.39345%0.452SS..EExtended strand (participates in β ladder)trans-147.8148.3-172.6-161.8176.3-179.700110.2W85 C86 R87 L143W85-E145 HydrophobicContact CH2-CB 4.27Å; W85-E145 HydrophobicContact CH2-CG 3.58Å; W85-E145 WeakPolarHBondContact CH2-OE1 3.28Å; W85-E145 HydrophobicContact CZ3-CB 4.04Å; W85-E145 HydrophobicContact CZ3-CG 3.86Å; C86-E145 CarbonylContact C-O 3.53Å; C86-E145 VanDerWaalsContact CA-O 3.27Å; C86-E145 WeakPolarHBondContact CA-O 3.4Å; R87-E145 HydrophobicContact CB-CB 4.27Å; R87-E145 IonicContact CZ-OE2 3.97Å; R87-E145 PolarHBondContact N-O 3Å; R87-E145 IonicContact NH1-OE2 2.7Å; R87-E145 PolarHBondContact NH1-OE2 3.48Å; R87-E145 PolarHBondContact O-N 3.32Å; L143-E145 WeakPolarHBondContact CD1-O 3.4Å
146K94.8Very high74.8Confident123 Ų12395.8 Ų95.854%0.53548%0.482SS..EExtended strand (participates in β ladder)trans-147.7150.3168.363.3171.7-178.5173.60110.1W85 C86 D123 L143W85-K146 CarbonylContact O-C 3.51Å; W85-K146 WeakPolarHBondContact O-CA 3.37Å; W85-K146 WeakPolarHBondContact O-CB 3.4Å; C86-K146 HydrophobicContact CB-CB 3.92Å; D123-K146 IonicContact OD1-NZ 3.56Å; L143-K146 HydrophobicContact CD2-CD 4.4Å
147G92.9Very high73.3Confident20 Ų2097.5 Ų97.521%0.20650%0.496CS..EExtended strand (participates in β ladder)trans-146.6161.4-179.800000112Y84 W85Y84-G147 CarbonylContact C-O 3.52Å; Y84-G147 VanDerWaalsContact CA-O 3.31Å; Y84-G147 WeakPolarHBondContact CA-O 3.32Å; W85-G147 PolarHBondContact N-O 3.21Å; W85-G147 PolarHBondContact O-N 3.07Å
148K92.3Very high71.6Confident147 Ų147100.1 Ų100.164%0.63951%0.511SS*.EExtended strand (participates in β ladder)trans-116.7125.2169.9-67.4-176.5175-172.20107.9T83 R150T83-K148 CarbonylContact O-C 3.51Å; T83-K148 WeakPolarHBondContact O-CA 3.33Å; K148-R150 PolarHBondContact O-N 2.99Å
149G78.5Confident69.7Low12 Ų12101.8 Ų101.812%0.12453%0.527CS..EExtended strand (participates in β ladder)trans-81.5106.6168.100000108.6T83 G151T83-G149 PolarHBondContact N-O 3.38Å; T83-G149 PolarHBondContact O-N 2.86Å; T83-G149 WeakPolarHBondContact OG1-CA 3.3Å; T83-G149 PolarHBondContact OG1-O 2.98Å; G149-G151 PolarHBondContact O-N 3.27Å
150R64.8Low67.5Low242 Ų242107 Ų10791%0.91356%0.561SS**  trans-68.7124.1163.5-76.2-179.3167.6169.9-3.9107.2K148 K152K148-R150 PolarHBondContact O-N 2.99Å; R150-K152 PolarHBondContact O-N 3.23Å
151G57.5Low64.9Low59 Ų59112.8 Ų112.861%0.60859%0.588SS**  trans-53.3140.4162.200000108.3G149 K153G149-G151 PolarHBondContact O-N 3.27Å; G151-K153 PolarHBondContact O-N 2.72Å
152K44Very low62.5Low197 Ų197120.1 Ų120.186%0.85762%0.624SS**  trans-50103.9-178.7-173.4172.3177.2-1780109.7R150R150-K152 PolarHBondContact O-N 3.23Å
153K38.9Very low59.5Low200 Ų200124 Ų12487%0.8765%0.653SS**  trans-130.6119.3164-139.3178.7-172.7-179.70104.8G151G151-K153 PolarHBondContact O-N 2.72Å
154D45.4Very low56.5Low139 Ų139131.1 Ų131.174%0.74369%0.685SS**  trans-56.2147.1-166.4-60.9-64.8000112.7
155S44.8Very low53.3Low109 Ų109132.4 Ų132.476%0.76269%0.691SS**  trans-60.8129.3-178.648.60000113.2
156V41.9Very low50.2Low134 Ų134136.2 Ų136.281%0.81271%0.709SS**  trans-132.9112.2140178.10000107.6
157S44.9Very low47.2Very low107 Ų107139.5 Ų139.575%0.74873%0.726SS**  trans-63.3130.4165.7-76.60000109.9
158L41Very low44.1Very low164 Ų164147.2 Ų147.286%0.85975%0.754SS**  trans-142.6111.8141.4-71.2178.2000107.9
159V39.2Very low41.1Very low129 Ų129148.3 Ų148.378%0.78276%0.759SS**  trans-94.6135.5156.11790000104.5
160P37.8Very low38.7Very low111 Ų111154.3 Ų154.372%0.72178%0.783SS**  -134.3136.49510.513.6000111.6
161E34.4Very low37Very low146 Ų146150 Ų15068%0.68278%0.779SS**  94.311275.7-158.8176.113300112
162M41.3Very low35.8Very low154 Ų154155.3 Ų155.376%0.75979%0.789SS**  trans32.6114.6140.6-44.5-174.3-82.600119.1
163V30.3Very low35.3Very low144 Ų144152 Ų15287%0.87379%0.786SS**  trans-150.8128.9135.4-164.80000109.7
164E32.4Very low35Very low185 Ų185147.6 Ų147.686%0.86478%0.778SS**  trans-53.2160.8165.4-68.7165.8124.100112.8
165K28.1Very low34.3Very low174 Ų174147.9 Ų147.976%0.75778%0.779SS**  158.4116.3112.5-168.6164.4-172.7-1790113
166E29.3Very low33.7Very low164 Ų164149 Ų14977%0.76678%0.775SS**  trans41.9133.1138.4-59.4176.8136.700123
167E31.7Very low33.1Very low193 Ų193150.2 Ų150.290%0.90277%0.772SS**  trans-57146.1154.4-54.8174.6138.600112.3
168K27.1Very low32.5Very low181 Ų181153 Ų15379%0.78777%0.773SS**  173.8111.5123.7-170.1171.9179.8-171.20112.3
169K29.6Very low32.1Very low171 Ų171154.7 Ų154.774%0.74377%0.768SS**  39.2146.6124.3-137.6-170.9168.7-158.20121.7
170E29.3Very low31.7Very low137 Ų137154.7 Ų154.764%0.6476%0.764SS**  trans102.3100.5154.8-58.5168-163.100113.2
171D27.4Very low31.4Very low153 Ų153152.9 Ų152.982%0.81877%0.766SS**  60.8100.878.4-167.868.1000112.3
172M33.4Very low31.4Very low169 Ų169154.6 Ų154.683%0.83377%0.774SS**  trans-172.3102.4143.4-158.2162.317000110.8
173T32.4Very low31.3Very low127 Ų127152.6 Ų152.678%0.77977%0.77SS**  trans-81.9145156.51.80000109.1
174P34Very low31.6Very low109 Ų109153.2 Ų153.271%0.70877%0.768SS**  -146.3116.911830.1-10.5000114.8
175L29.7Very low31.7Very low145 Ų145150.8 Ų150.876%0.75976%0.761SS**  30.2138.3122.2-110.3154.1000123.3
176L32.2Very low32.1Very low132 Ų132149.6 Ų149.669%0.69176%0.76SS**  trans89.4135.6156.4-52.8170000116.3
177E30.4Very low32.6Very low160 Ų160149.3 Ų149.375%0.74876%0.759SS**  cis-166.7162.95-114.2172176.400110.4
178E31.5Very low33.2Very low164 Ų164144.1 Ų144.177%0.76674%0.742SS**  trans2.8153.3162.4-42.6-154.8134.500121.5
179R33.3Very low34.4Very low200 Ų200141 Ų14176%0.75574%0.738SS**  cis-176.8155.944.1-158.9-171161.7127.6-3.5110.5
180D29.9Very low35.2Very low129 Ų129139.6 Ų139.669%0.6973%0.734SS**  trans28132.3156.259.13.2000124
181G30.8Very low36.8Very low74 Ų74138.1 Ų138.176%0.76373%0.73SS**  trans-175.783.6167.600000113.8
182E34.4Very low38.5Very low181 Ų181140.9 Ų140.985%0.84673%0.731SS**  trans58.3121.4146.7-141.196.512800121.4
183V39.3Very low40.5Very low113 Ų113133.7 Ų133.769%0.68570%0.697SS**  trans-64.8139.1167.6179.70000110.5
184N37.1Very low42.5Very low156 Ų156130.9 Ų130.983%0.83469%0.687SS**  trans-127.2122.7150.1-89.9-73.9000110.3
185D35.3Very low43.8Very low134 Ų134134.7 Ų134.772%0.71770%0.695SS**  trans-44.7139.5176.9-78.3-78.5000118.5
186M35.3Very low45.7Very low150 Ų150131.6 Ų131.674%0.73970%0.698SS**  87100.4123.3-154.6165.9-151.900120.6
187E40.9Very low47.8Very low158 Ų158133.5 Ų133.574%0.73870%0.696SS**  trans67.9151.8130.8-66.3-172.8150.600120.8
188P43.2Very low49.8Very low84 Ų84131.6 Ų131.655%0.54569%0.687SS.*  cis-123.5156.817.323.30.9000115.2E190P188-E190 HydrophobicContact CB-CG 3.93Å; P188-E190 HydrophobicContact CG-CG 3.79Å; P188-E190 PolarHBondContact O-N 3.14Å
189V52.7Low51.8Low114 Ų114128.9 Ų128.969%0.69169%0.686SS**  trans-66.775.4167-177.80000108.2N191 Y192V189-N191 PolarHBondContact O-N 2.83Å; V189-Y192 HydrophobicContact CG1-CD2 4.24Å; V189-Y192 HydrophobicContact CG1-CE2 3.66Å
190E47.7Very low54Low143 Ų143122.5 Ų122.567%0.66867%0.669SS**  trans-96.699.8179.6-77.9-174.9164.800110P188P188-E190 HydrophobicContact CB-CG 3.93Å; P188-E190 HydrophobicContact CG-CG 3.79Å; P188-E190 PolarHBondContact O-N 3.14Å
191N61.1Low56.3Low106 Ų106117.7 Ų117.757%0.56765%0.645SS**  trans75.571.6147.2-48.9-29000114.9V189 C193V189-N191 PolarHBondContact O-N 2.83Å; N191-C193 PolarHBondContact O-N 2.89Å
192Y64.4Low58.4Low210 Ų210117 Ų11782%0.82463%0.629SS**SBendtrans-47.1-26.2159.6-73.9-77.6000112.5V189V189-Y192 HydrophobicContact CG1-CD2 4.24Å; V189-Y192 HydrophobicContact CG1-CE2 3.66Å
193C74.3Confident60.6Low18 Ų18114.8 Ų114.812%0.12262%0.616CS.*SBendtrans-101.8111.1176.2-54.50000111N191 C201N191-C193 PolarHBondContact O-N 2.89Å; C193-C201 WeakPolarHBondContact CA-SG 3.34Å; C193-C201 HydrophobicContact CB-CB 3.49Å; C193-C201 VanDerWaalsContact CB-CB 3.49Å; C193-C201 WeakPolarHBondContact CB-SG 3.42Å; C193-C201 WeakPolarHBondContact SG-CB 3.27Å; C193-C201 CovalentContact SG-SG 2.02Å; C193-C201 PolarHBondContact SG-SG 3.19Å
194A74.8Confident62.5Low68 Ų68114.6 Ų114.656%0.56261%0.607SS**  trans-58.4147.4171.900000111.8G196 W197A194-G196 PolarHBondContact O-N 2.94Å; A194-W197 PolarHBondContact O-N 3.31Å; A194-W197 VanDerWaalsContact O-N 3.09Å
195E62.6Low64.5Low190 Ų190110 Ų11089%0.88858%0.584SS**THydrogen-bonded Turntrans-53.9129.2176.2-74.1-176156.600110.8
196G68.8Low66.2Low79 Ų79107.3 Ų107.381%0.81458%0.576SS**THydrogen-bonded Turntrans97.9-11.6-176.900000115.6A194A194-G196 PolarHBondContact O-N 2.94Å
197W76.3Confident68.1Low173 Ų173106.9 Ų106.966%0.65557%0.57SS**  trans-119.79.1-179.4-68.284.4000114.4A194 S199 V200 C201A194-W197 PolarHBondContact O-N 3.31Å; A194-W197 VanDerWaalsContact O-N 3.09Å; W197-S199 VanDerWaalsContact C-N 3.26Å; W197-S199 PolarHBondContact O-N 2.86Å; W197-S199 VanDerWaalsContact O-N 3.14Å; W197-V200 HydrophobicContact CE3-CB 4.26Å; W197-V200 HydrophobicContact CE3-CG2 4.32Å; W197-V200 PolarHBondContact O-N 3.08Å; W197-V200 VanDerWaalsContact O-N 3.08Å; W197-C201 VanDerWaalsContact O-CB 3.25Å; W197-C201 WeakPolarHBondContact O-CB 3.36Å; W197-C201 PolarHBondContact O-N 3.15Å
198H72.1Confident69.3Low119 Ų119107.1 Ų107.155%0.55157%0.569SS**Hα-helixtrans-54.3-38.4-172.9-143.1-83.9000113.9S202H198-S202 WeakPolarHBondContact O-CB 3.49Å; H198-S202 PolarHBondContact O-N 3.45Å
199S74.2Confident70Confident108 Ų108111 Ų11176%0.75558%0.58SS**Hα-helixtrans-65.7-43.7178.5178.30000112.9W197 F203W197-S199 VanDerWaalsContact C-N 3.26Å; W197-S199 PolarHBondContact O-N 2.86Å; W197-S199 VanDerWaalsContact O-N 3.14Å; S199-F203 PolarHBondContact O-N 3.09Å
200V78Confident69.6Low66 Ų66111.6 Ų111.640%0.461%0.609SS.*Hα-helixtrans-77.5-43-179.5-177.90000110.6W197 F203 F204W197-V200 HydrophobicContact CE3-CB 4.26Å; W197-V200 HydrophobicContact CE3-CG2 4.32Å; W197-V200 PolarHBondContact O-N 3.08Å; W197-V200 VanDerWaalsContact O-N 3.08Å; V200-F203 WeakPolarHBondContact O-CB 3.44Å; V200-F203 PolarHBondContact O-N 3.4Å; V200-F204 HydrophobicContact CG1-CD2 3.74Å; V200-F204 HydrophobicContact CG1-CE2 3.57Å; V200-F204 WeakPolarHBondContact O-CD2 3.33Å; V200-F204 PolarHBondContact O-N 2.76Å; V200-F204 VanDerWaalsContact O-N 3.16Å
201C80Confident70.7Confident27 Ų27110 Ų11018%0.18261%0.606CS.*Hα-helixtrans-62.4-43.7179.6177.60000112C193 W197 F203 F204 V205C193-C201 WeakPolarHBondContact CA-SG 3.34Å; C193-C201 HydrophobicContact CB-CB 3.49Å; C193-C201 VanDerWaalsContact CB-CB 3.49Å; C193-C201 WeakPolarHBondContact CB-SG 3.42Å; C193-C201 WeakPolarHBondContact SG-CB 3.27Å; C193-C201 CovalentContact SG-SG 2.02Å; C193-C201 PolarHBondContact SG-SG 3.19Å; W197-C201 VanDerWaalsContact O-CB 3.25Å; W197-C201 WeakPolarHBondContact O-CB 3.36Å; W197-C201 PolarHBondContact O-N 3.15Å; C201-F203 VanDerWaalsContact C-N 3.35Å; C201-F203 PolarHBondContact O-N 2.9Å; C201-F204 PolarHBondContact O-N 3.08Å; C201-V205 WeakPolarHBondContact O-CG2 3.18Å; C201-V205 PolarHBondContact O-N 2.74Å
202S74.9Confident71.3Confident60 Ų60110.2 Ų110.242%0.4261%0.608SS.*Hα-helixtrans-59.6-41.31741730000113H198 F204 S206H198-S202 WeakPolarHBondContact O-CB 3.49Å; H198-S202 PolarHBondContact O-N 3.45Å; S202-F204 PolarHBondContact O-N 3.04Å; S202-S206 WeakPolarHBondContact O-CB 3.18Å; S202-S206 PolarHBondContact O-N 3.17Å; S202-S206 PolarHBondContact O-OG 3.05Å
203F79.6Confident71.6Confident134 Ų134104.7 Ų104.759%0.58860%0.596SS**Hα-helixtrans-61-44176.6175.8-96.8000112.4S199 V200 C201 F207S199-F203 PolarHBondContact O-N 3.09Å; V200-F203 WeakPolarHBondContact O-CB 3.44Å; V200-F203 PolarHBondContact O-N 3.4Å; C201-F203 VanDerWaalsContact C-N 3.35Å; C201-F203 PolarHBondContact O-N 2.9Å; F203-F207 PolarHBondContact O-N 2.65Å
204F79.9Confident71.5Confident109 Ų109109.8 Ų109.848%0.47862%0.624SS.*Hα-helixtrans-74.3-39.1-178.9-78.5-74000113V200 C201 S202 S206 F207 F208V200-F204 HydrophobicContact CG1-CD2 3.74Å; V200-F204 HydrophobicContact CG1-CE2 3.57Å; V200-F204 WeakPolarHBondContact O-CD2 3.33Å; V200-F204 PolarHBondContact O-N 2.76Å; V200-F204 VanDerWaalsContact O-N 3.16Å; C201-F204 PolarHBondContact O-N 3.08Å; S202-F204 PolarHBondContact O-N 3.04Å; F204-S206 VanDerWaalsContact C-N 3.33Å; F204-S206 PolarHBondContact O-N 3.13Å; F204-F207 WeakPolarHBondContact O-CB 3.44Å; F204-F207 PolarHBondContact O-N 2.99Å; F204-F207 VanDerWaalsContact O-N 3.16Å; F204-F208 VanDerWaalsContact O-CD2 3.24Å; F204-F208 WeakPolarHBondContact O-CD2 3.42Å; F204-F208 PolarHBondContact O-N 2.79Å
205V79.2Confident71.3Confident61 Ų61112.4 Ų112.437%0.3763%0.628SS.*Hα-helixtrans-60.7-46.4175.3172.10000110.3C201 F207 F208 E209C201-V205 WeakPolarHBondContact O-CG2 3.18Å; C201-V205 PolarHBondContact O-N 2.74Å; V205-F207 PolarHBondContact O-N 2.79Å; V205-F207 VanDerWaalsContact O-N 3.16Å; V205-F208 PolarHBondContact O-N 3.38Å; V205-F208 VanDerWaalsContact O-N 3.11Å; V205-E209 VanDerWaalsContact CG1-OE2 3.23Å; V205-E209 WeakPolarHBondContact CG1-OE2 3.33Å; V205-E209 PolarHBondContact O-N 3.06Å
206S70.4Confident71.8Confident77 Ų77107.2 Ų107.254%0.53861%0.611SS.*Hα-helixtrans-62.7-24.7177.3-52.10000113.6S202 F204S202-S206 WeakPolarHBondContact O-CB 3.18Å; S202-S206 PolarHBondContact O-N 3.17Å; S202-S206 PolarHBondContact O-OG 3.05Å; F204-S206 VanDerWaalsContact C-N 3.33Å; F204-S206 PolarHBondContact O-N 3.13Å
207F74.4Confident72.1Confident140 Ų140109.2 Ų109.261%0.61460%0.596SS**Hα-helixtrans-79-28.3177.8179.7-94.1000113.1F203 F204 V205F203-F207 PolarHBondContact O-N 2.65Å; F204-F207 WeakPolarHBondContact O-CB 3.44Å; F204-F207 PolarHBondContact O-N 2.99Å; F204-F207 VanDerWaalsContact O-N 3.16Å; V205-F207 PolarHBondContact O-N 2.79Å; V205-F207 VanDerWaalsContact O-N 3.16Å
208F67Low71.7Confident164 Ų164104.3 Ų104.372%0.71959%0.592SS**Hα-helixtrans-94.7-19.5179.6-75.6-74.8000113.4F204 V205F204-F208 VanDerWaalsContact O-CD2 3.24Å; F204-F208 WeakPolarHBondContact O-CD2 3.42Å; F204-F208 PolarHBondContact O-N 2.79Å; V205-F208 PolarHBondContact O-N 3.38Å; V205-F208 VanDerWaalsContact O-N 3.11Å
209E57.4Low71.7Confident164 Ų164103.1 Ų103.177%0.76660%0.595SS**  trans-92.19.7173.9-77.7-177130.200114.1V205V205-E209 VanDerWaalsContact CG1-OE2 3.23Å; V205-E209 WeakPolarHBondContact CG1-OE2 3.33Å; V205-E209 PolarHBondContact O-N 3.06Å
210G45.4Very low71.5Confident127 Ų127102.6 Ų102.6100%1.30958%0.58SS**  trans-114017700000113.5

Retrieved 210 of 210 residues in 129.3 ms (Link to these results)