A0A077ZJ40_TRITR Loading...

Large ribosomal subunit protein uL3c

AlphaFold DB , UniProt , Accession A0A077ZJ40, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 325 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
1M65.1Low78.8Confident205 Ų205156.8 Ų156.8100%1.0171%0.706SS**  0-570-83.3-164-85.600115.3K3 V4 M5M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.21Å; M1-V4 PolarHBondContact O-N 3Å; M1-M5 PolarHBondContact O-N 3.1Å; M1-M5 VanDerWaalsContact O-N 3.15Å
2K71.3Confident78.5Confident195 Ų195149.3 Ų149.385%0.84868%0.681SS**Hα-helixtrans-55.2-38.2-175.4-74.1-178.1177.7176.20115.2M5 K6K2-M5 PolarHBondContact O-N 2.79Å; K2-K6 WeakPolarHBondContact O-CB 3.43Å; K2-K6 PolarHBondContact O-N 3.35Å; K2-K6 VanDerWaalsContact O-N 3.08Å
3K78.9Confident77.8Confident183 Ų183149.1 Ų149.180%0.79668%0.678SS**Hα-helixtrans-65.3-47.3-179.7-146.5177.2-175.7-177.20112.1M1 M5 K6 E7M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.21Å; K3-M5 VanDerWaalsContact C-N 3.34Å; K3-M5 PolarHBondContact O-N 2.98Å; K3-K6 PolarHBondContact O-N 3.41Å; K3-E7 PolarHBondContact O-N 2.82Å
4V84.1Confident76.8Confident103 Ų103148.9 Ų148.962%0.62468%0.675SS**Hα-helixtrans-60-42.8175.8179.40000111.3M1 K6 E7 Y8M1-V4 PolarHBondContact O-N 3Å; V4-K6 PolarHBondContact O-N 3.37Å; V4-E7 PolarHBondContact O-N 2.77Å; V4-Y8 WeakPolarHBondContact O-CB 3.29Å; V4-Y8 PolarHBondContact O-N 2.78Å
5M81.8Confident75Confident108 Ų108146.1 Ų146.153%0.53267%0.667SS.*Hα-helixtrans-66.8-38.6179.8-157.46062.800112.4M1 K2 K3 E7 Y8 Q9M1-M5 PolarHBondContact O-N 3.1Å; M1-M5 VanDerWaalsContact O-N 3.15Å; K2-M5 PolarHBondContact O-N 2.79Å; K3-M5 VanDerWaalsContact C-N 3.34Å; K3-M5 PolarHBondContact O-N 2.98Å; M5-E7 VanDerWaalsContact C-N 3.34Å; M5-Y8 PolarHBondContact O-N 3.09Å; M5-Q9 WeakPolarHBondContact O-CB 3.4Å; M5-Q9 WeakPolarHBondContact O-CG 3.25Å; M5-Q9 PolarHBondContact O-N 3.1Å
6K83.6Confident73.7Confident158 Ų158145.8 Ų145.869%0.68766%0.664SS**Hα-helixtrans-67.2-37.3177.1-157174.5-172.2179.50111.5K2 K3 V4 K10K2-K6 WeakPolarHBondContact O-CB 3.43Å; K2-K6 PolarHBondContact O-N 3.35Å; K2-K6 VanDerWaalsContact O-N 3.08Å; K3-K6 PolarHBondContact O-N 3.41Å; V4-K6 PolarHBondContact O-N 3.37Å; K6-K10 WeakPolarHBondContact O-CB 3.42Å; K6-K10 PolarHBondContact O-N 3.17Å
7E84.7Confident72.7Confident137 Ų137142 Ų14264%0.6465%0.65SS**Hα-helixtrans-71.4-41.2177-163157-152.700111.9K3 V4 M5 K10 R11K3-E7 PolarHBondContact O-N 2.82Å; V4-E7 PolarHBondContact O-N 2.77Å; M5-E7 VanDerWaalsContact C-N 3.34Å; E7-K10 PolarHBondContact O-N 3.17Å; E7-R11 WeakPolarHBondContact O-CB 3.29Å; E7-R11 PolarHBondContact O-N 3.37Å
8Y83.6Confident71.1Confident152 Ų152139.5 Ų139.560%0.59664%0.642SS**Hα-helixtrans-60.1-48.8170.8-175.6-97.6000111.5V4 M5 K10 R11 V12V4-Y8 WeakPolarHBondContact O-CB 3.29Å; V4-Y8 PolarHBondContact O-N 2.78Å; M5-Y8 PolarHBondContact O-N 3.09Å; Y8-K10 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 2.91Å; Y8-R11 PolarHBondContact O-N 2.72Å; Y8-R11 VanDerWaalsContact O-N 3.14Å; Y8-V12 HydrophobicContact CD1-CG2 3.9Å; Y8-V12 HydrophobicContact CD2-CG2 4.45Å; Y8-V12 HydrophobicContact CE1-CG2 3.53Å; Y8-V12 HydrophobicContact CE2-CG2 4.12Å; Y8-V12 HydrophobicContact CG-CG2 4.35Å; Y8-V12 WeakPolarHBondContact O-CB 3.35Å; Y8-V12 WeakPolarHBondContact O-CG2 3.47Å; Y8-V12 PolarHBondContact O-N 3.49Å
9Q79.9Confident69.7Low129 Ų129137.3 Ų137.360%0.60364%0.635SS**Hα-helixtrans-59.4-40.2175.4-78.2-174.8-21.300112.2M5 K13M5-Q9 WeakPolarHBondContact O-CB 3.4Å; M5-Q9 WeakPolarHBondContact O-CG 3.25Å; M5-Q9 PolarHBondContact O-N 3.1Å; Q9-K13 WeakPolarHBondContact O-CB 3.29Å; Q9-K13 PolarHBondContact O-N 2.9Å
10K79.4Confident68.5Low164 Ų164135.6 Ų135.671%0.71363%0.631SS**Hα-helixtrans-65.1-41.2176.3-160.6178.6-173.9-176.50111.1K6 E7 Y8 K14K6-K10 WeakPolarHBondContact O-CB 3.42Å; K6-K10 PolarHBondContact O-N 3.17Å; E7-K10 PolarHBondContact O-N 3.17Å; Y8-K10 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 2.91Å; K10-K14 VanDerWaalsContact O-CB 3.26Å; K10-K14 WeakPolarHBondContact O-CB 3.42Å; K10-K14 PolarHBondContact O-N 3.15Å
11R74.3Confident67.5Low191 Ų191135 Ų13572%0.72163%0.629SS**Hα-helixtrans-68.8-46.6178.9-155.6171.9-178.5-179.1-0.8111.3E7 Y8 K14 L15E7-R11 WeakPolarHBondContact O-CB 3.29Å; E7-R11 PolarHBondContact O-N 3.37Å; Y8-R11 PolarHBondContact O-N 2.72Å; Y8-R11 VanDerWaalsContact O-N 3.14Å; R11-K14 PolarHBondContact O-N 2.85Å; R11-L15 WeakPolarHBondContact O-CB 3.41Å; R11-L15 PolarHBondContact O-N 3.38Å
12V75.9Confident66.9Low66 Ų66129.4 Ų129.440%0.462%0.615SS.*Hα-helixtrans-61.2-45.4174.3172.90000110.8Y8 K14 L15 F16Y8-V12 HydrophobicContact CD1-CG2 3.9Å; Y8-V12 HydrophobicContact CD2-CG2 4.45Å; Y8-V12 HydrophobicContact CE1-CG2 3.53Å; Y8-V12 HydrophobicContact CE2-CG2 4.12Å; Y8-V12 HydrophobicContact CG-CG2 4.35Å; Y8-V12 WeakPolarHBondContact O-CB 3.35Å; Y8-V12 WeakPolarHBondContact O-CG2 3.47Å; Y8-V12 PolarHBondContact O-N 3.49Å; V12-K14 VanDerWaalsContact C-N 3.33Å; V12-K14 PolarHBondContact O-N 3.4Å; V12-L15 PolarHBondContact O-N 2.94Å; V12-F16 VanDerWaalsContact O-CB 3.27Å; V12-F16 WeakPolarHBondContact O-CB 3.42Å; V12-F16 PolarHBondContact O-N 3.42Å
13K69.5Low65.8Low147 Ų147126.2 Ų126.264%0.63961%0.606SS**Hα-helixtrans-63.8-39.1177.4-165174.6-173.4179.70111.7Q9 F16 I17Q9-K13 WeakPolarHBondContact O-CB 3.29Å; Q9-K13 PolarHBondContact O-N 2.9Å; K13-F16 PolarHBondContact O-N 2.81Å; K13-I17 HydrophobicContact CG-CD1 4.18Å; K13-I17 WeakPolarHBondContact O-CB 3.39Å; K13-I17 WeakPolarHBondContact O-CD1 3.28Å; K13-I17 WeakPolarHBondContact O-CG1 3.32Å; K13-I17 PolarHBondContact O-N 2.89Å
14K63Low64.4Low146 Ų146126.8 Ų126.864%0.63560%0.604SS**Hα-helixtrans-67-41.4175.1-164.7173.1-174.6-177.90111.9K10 R11 V12 F16 I17 N18K10-K14 VanDerWaalsContact O-CB 3.26Å; K10-K14 WeakPolarHBondContact O-CB 3.42Å; K10-K14 PolarHBondContact O-N 3.15Å; R11-K14 PolarHBondContact O-N 2.85Å; V12-K14 VanDerWaalsContact C-N 3.33Å; V12-K14 PolarHBondContact O-N 3.4Å; K14-F16 VanDerWaalsContact C-N 3.33Å; K14-I17 PolarHBondContact O-N 3.25Å; K14-N18 WeakPolarHBondContact O-CB 3.49Å; K14-N18 PolarHBondContact O-N 2.94Å
15L50.3Low62.7Low108 Ų108126.7 Ų126.757%0.56561%0.605SS**Hα-helixtrans-63.7-41.2174.7-131.4143.5000110.9R11 V12 N18 L19R11-L15 WeakPolarHBondContact O-CB 3.41Å; R11-L15 PolarHBondContact O-N 3.38Å; V12-L15 PolarHBondContact O-N 2.94Å; L15-N18 PolarHBondContact O-N 3.22Å; L15-L19 HydrophobicContact CD2-CD1 4.36Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.95Å
16F54.6Low61.1Low140 Ų140125.9 Ų125.961%0.61460%0.598SS**Hα-helixtrans-67.1-42.2177.3-159.7-94000111.8V12 K13 K14 L19 N20V12-F16 VanDerWaalsContact O-CB 3.27Å; V12-F16 WeakPolarHBondContact O-CB 3.42Å; V12-F16 PolarHBondContact O-N 3.42Å; K13-F16 PolarHBondContact O-N 2.81Å; K14-F16 VanDerWaalsContact C-N 3.33Å; F16-L19 PolarHBondContact O-N 2.95Å; F16-N20 WeakPolarHBondContact O-CB 3.32Å; F16-N20 PolarHBondContact O-N 3.27Å
17I55.7Low59.5Low82 Ų82120.3 Ų120.342%0.42158%0.579SS.*Hα-helixtrans-62.3-47.5173.6-69.1163.3000110.3K13 K14 L19 N20 E21K13-I17 HydrophobicContact CG-CD1 4.18Å; K13-I17 WeakPolarHBondContact O-CB 3.39Å; K13-I17 WeakPolarHBondContact O-CD1 3.28Å; K13-I17 WeakPolarHBondContact O-CG1 3.32Å; K13-I17 PolarHBondContact O-N 2.89Å; K14-I17 PolarHBondContact O-N 3.25Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.79Å; I17-N20 CarbonylContact O-C 3.59Å; I17-N20 PolarHBondContact O-N 2.87Å; I17-N20 VanDerWaalsContact O-N 3.15Å; I17-E21 HydrophobicContact CG2-CG 4.4Å; I17-E21 WeakPolarHBondContact O-CB 3.37Å; I17-E21 PolarHBondContact O-N 3.24Å
18N43.3Very low57.9Low97 Ų97122.7 Ų122.752%0.51958%0.583SS.*Hα-helixtrans-60.2-41.7176.4-92.19000112.3K14 L15 N20 E21 A22K14-N18 WeakPolarHBondContact O-CB 3.49Å; K14-N18 PolarHBondContact O-N 2.94Å; L15-N18 PolarHBondContact O-N 3.22Å; N18-N20 VanDerWaalsContact C-N 3.31Å; N18-N20 PolarHBondContact O-N 2.86Å; N18-E21 PolarHBondContact O-N 2.92Å; N18-A22 WeakPolarHBondContact O-CB 3.39Å; N18-A22 PolarHBondContact O-N 3.47Å
19L44.8Very low56Low97 Ų97120.1 Ų120.151%0.50858%0.576SS.*Hα-helixtrans-64.7-39.5177.1-134.699.2000110.9L15 F16 I17 L23L15-L19 HydrophobicContact CD2-CD1 4.36Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.95Å; F16-L19 PolarHBondContact O-N 2.95Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.79Å; L19-L23 HydrophobicContact CD2-CD1 4.05Å; L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 2.9Å
20N46.8Very low54.7Low103 Ų103119.2 Ų119.255%0.55157%0.572SS**Hα-helixtrans-74.4-30179.6-130.910.7000112.5F16 I17 N18 R24F16-N20 WeakPolarHBondContact O-CB 3.32Å; F16-N20 PolarHBondContact O-N 3.27Å; I17-N20 CarbonylContact O-C 3.59Å; I17-N20 PolarHBondContact O-N 2.87Å; I17-N20 VanDerWaalsContact O-N 3.15Å; N18-N20 VanDerWaalsContact C-N 3.31Å; N18-N20 PolarHBondContact O-N 2.86Å; N20-R24 WeakPolarHBondContact O-CA 3.38Å; N20-R24 WeakPolarHBondContact O-CB 3.31Å; N20-R24 PolarHBondContact O-N 3.44Å
21E46.6Very low53.5Low125 Ų125118.2 Ų118.258%0.58456%0.563SS**Hα-helixtrans-70.4-43.6170.7-79178.7176.700111.1I17 N18 L23 R24I17-E21 HydrophobicContact CG2-CG 4.4Å; I17-E21 WeakPolarHBondContact O-CB 3.37Å; I17-E21 PolarHBondContact O-N 3.24Å; N18-E21 PolarHBondContact O-N 2.92Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.31Å; E21-R24 WeakPolarHBondContact O-CB 3.26Å; E21-R24 PolarHBondContact O-N 3.01Å
22A52.1Low52.2Low87 Ų87110.4 Ų110.472%0.71954%0.536SS*.Hα-helixtrans-67.5-31.617700000113.3N18N18-A22 WeakPolarHBondContact O-CB 3.39Å; N18-A22 PolarHBondContact O-N 3.47Å
23L48Very low50.8Low128 Ų128109.6 Ų109.667%0.6753%0.531SS*.THydrogen-bonded Turntrans-92.6-3175.7-69.8168.8000113.2L19 E21 P25L19-L23 HydrophobicContact CD2-CD1 4.05Å; L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 2.9Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.31Å; L23-P25 WeakPolarHBondContact O-CD 3.44Å; L23-P25 VanDerWaalsContact O-N 3.16Å
24R49.7Very low50Low195 Ų195109 Ų10974%0.73653%0.531SS*.SBendtrans-63.4123.5176.8-152178.1-169176.71.7106.5N20 E21 K26N20-R24 WeakPolarHBondContact O-CA 3.38Å; N20-R24 WeakPolarHBondContact O-CB 3.31Å; N20-R24 PolarHBondContact O-N 3.44Å; E21-R24 WeakPolarHBondContact O-CB 3.26Å; E21-R24 PolarHBondContact O-N 3.01Å; R24-K26 PolarHBondContact O-N 3.02Å
25P48.8Very low49.2Very low100 Ų100109.3 Ų109.365%0.64953%0.534SS*.  trans-57118.1171.123.3-31000106.6L23 S27L23-P25 WeakPolarHBondContact O-CD 3.44Å; L23-P25 VanDerWaalsContact O-N 3.16Å; P25-S27 PolarHBondContact O-N 2.97Å
26K48.8Very low48.8Very low91 Ų91111.2 Ų111.240%0.39654%0.538SS..  trans-46133.2173.9-71.3-172.1-175-177.80108.4R24 E30 R31 E34R24-K26 PolarHBondContact O-N 3.02Å; K26-E30 WeakPolarHBondContact CA-OE2 3.27Å; K26-E30 HydrophobicContact CB-CB 4.03Å; K26-R31 HydrophobicContact CB-CG 3.82Å; K26-E34 IonicContact NZ-OE1 2.67Å; K26-E34 PolarHBondContact NZ-OE1 3.26Å; K26-E34 IonicContact NZ-OE2 2.62Å; K26-E34 PolarHBondContact NZ-OE2 3.46Å
27S50.8Low48.2Very low41 Ų41107.6 Ų107.629%0.28754%0.54SS..  trans-56.7155.5176.489.10000108.8P25 E29 E30 R31P25-S27 PolarHBondContact O-N 2.97Å; S27-E29 PolarHBondContact O-N 3.13Å; S27-E29 VanDerWaalsContact O-N 3.13Å; S27-E29 WeakPolarHBondContact OG-CB 3.4Å; S27-E29 PolarHBondContact OG-N 3.32Å; S27-E30 PolarHBondContact N-OE2 3.29Å; S27-E30 PolarHBondContact O-N 2.85Å; S27-E30 VanDerWaalsContact O-N 3.11Å; S27-E30 PolarHBondContact OG-N 3.09Å; S27-E30 VanDerWaalsContact OG-N 3.16Å; S27-R31 PolarHBondContact O-N 3.41Å
28W49.6Very low47.4Very low188 Ų188106.6 Ų106.671%0.71253%0.534SS*.Hα-helixtrans-56.2-31.4177.9-167.674.2000111.5I32W28-I32 HydrophobicContact CD2-CD1 3.52Å; W28-I32 HydrophobicContact CE3-CD1 3.36Å; W28-I32 HydrophobicContact CG-CD1 4.38Å; W28-I32 HydrophobicContact CH2-CD1 3.39Å; W28-I32 HydrophobicContact CZ2-CD1 3.55Å; W28-I32 HydrophobicContact CZ3-CD1 3.29Å; W28-I32 WeakPolarHBondContact O-CD1 3.24Å; W28-I32 VanDerWaalsContact O-CG1 3.28Å; W28-I32 WeakPolarHBondContact O-CG1 3.45Å; W28-I32 PolarHBondContact O-N 2.66Å; W28-I32 VanDerWaalsContact O-N 3.15Å
29E44.8Very low47.6Very low97 Ų97104.6 Ų104.645%0.45352%0.523SS..Hα-helixtrans-69.2-44.8176.2-59.6152.1175.400112S27 R31 I32 T33S27-E29 PolarHBondContact O-N 3.13Å; S27-E29 VanDerWaalsContact O-N 3.13Å; S27-E29 WeakPolarHBondContact OG-CB 3.4Å; S27-E29 PolarHBondContact OG-N 3.32Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 2.93Å; E29-I32 PolarHBondContact O-N 2.79Å; E29-T33 WeakPolarHBondContact O-CB 3.41Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 2.96Å
30E52.4Low47.7Very low111 Ų111103 Ų10352%0.51952%0.518SS..Hα-helixtrans-62.7-39176.3-71.6168.8169.900111.5K26 S27 E34K26-E30 WeakPolarHBondContact CA-OE2 3.27Å; K26-E30 HydrophobicContact CB-CB 4.03Å; S27-E30 PolarHBondContact N-OE2 3.29Å; S27-E30 PolarHBondContact O-N 2.85Å; S27-E30 VanDerWaalsContact O-N 3.11Å; S27-E30 PolarHBondContact OG-N 3.09Å; S27-E30 VanDerWaalsContact OG-N 3.16Å; E30-E34 WeakPolarHBondContact O-CB 3.3Å; E30-E34 PolarHBondContact O-N 2.7Å; E30-E34 VanDerWaalsContact O-N 3.09Å
31R54.7Low47.7Very low142 Ų142102 Ų10254%0.53651%0.513SS..Hα-helixtrans-65.2-42.2176-73.9-177.6173.4171.4-1.4112.6K26 S27 E29 E35K26-R31 HydrophobicContact CB-CG 3.82Å; S27-R31 PolarHBondContact O-N 3.41Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 2.93Å; R31-E35 WeakPolarHBondContact O-CB 3.39Å; R31-E35 PolarHBondContact O-N 3.24Å
32I45.4Very low47.8Very low27 Ų27102 Ų10214%0.13851%0.513CS..Hα-helixtrans-69.8-42.3179.1-69.8168.6000110.8W28 E29 E34 E35 F36 P40W28-I32 HydrophobicContact CD2-CD1 3.52Å; W28-I32 HydrophobicContact CE3-CD1 3.36Å; W28-I32 HydrophobicContact CG-CD1 4.38Å; W28-I32 HydrophobicContact CH2-CD1 3.39Å; W28-I32 HydrophobicContact CZ2-CD1 3.55Å; W28-I32 HydrophobicContact CZ3-CD1 3.29Å; W28-I32 WeakPolarHBondContact O-CD1 3.24Å; W28-I32 VanDerWaalsContact O-CG1 3.28Å; W28-I32 WeakPolarHBondContact O-CG1 3.45Å; W28-I32 PolarHBondContact O-N 2.66Å; W28-I32 VanDerWaalsContact O-N 3.15Å; E29-I32 PolarHBondContact O-N 2.79Å; I32-E34 VanDerWaalsContact C-N 3.26Å; I32-E34 PolarHBondContact O-N 3.1Å; I32-E35 PolarHBondContact O-N 3.25Å; I32-F36 HydrophobicContact CG2-CD2 3.82Å; I32-F36 HydrophobicContact CG2-CE2 4.49Å; I32-F36 WeakPolarHBondContact O-CB 3.21Å; I32-F36 WeakPolarHBondContact O-CD2 3.46Å; I32-F36 PolarHBondContact O-N 3.01Å; I32-P40 HydrophobicContact CB-CG 4.12Å; I32-P40 HydrophobicContact CD1-CG 4.33Å; I32-P40 HydrophobicContact CG2-CB 3.95Å; I32-P40 HydrophobicContact CG2-CG 3.76Å
33T47.4Very low48.1Very low50 Ų5099 Ų9931%0.30749%0.486SS..Hα-helixtrans-63.2-35.4178.9-480000111.3E29 G37 E38E29-T33 WeakPolarHBondContact O-CB 3.41Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 2.96Å; T33-G37 CarbonylContact O-C 3.54Å; T33-G37 WeakPolarHBondContact O-CA 3.23Å; T33-G37 PolarHBondContact O-N 3.44Å; T33-E38 WeakPolarHBondContact CA-O 3.25Å
34E53.5Low48.9Very low135 Ų13594.6 Ų94.663%0.63147%0.466SS*.Hα-helixtrans-74.8-33.5176-164.7173.1-135.300113K26 E30 I32K26-E34 IonicContact NZ-OE1 2.67Å; K26-E34 PolarHBondContact NZ-OE1 3.26Å; K26-E34 IonicContact NZ-OE2 2.62Å; K26-E34 PolarHBondContact NZ-OE2 3.46Å; E30-E34 WeakPolarHBondContact O-CB 3.3Å; E30-E34 PolarHBondContact O-N 2.7Å; E30-E34 VanDerWaalsContact O-N 3.09Å; I32-E34 VanDerWaalsContact C-N 3.26Å; I32-E34 PolarHBondContact O-N 3.1Å
35E45.1Very low49.6Very low151 Ų15188 Ų8871%0.70645%0.449SS*.Hα-helixtrans-79.5-35.2179.6-168.4172-170.600112.9R31 I32R31-E35 WeakPolarHBondContact O-CB 3.39Å; R31-E35 PolarHBondContact O-N 3.24Å; I32-E35 PolarHBondContact O-N 3.25Å
36F41.7Very low50.4Low149 Ų14985.8 Ų85.865%0.65444%0.435SS*.Hα-helixtrans-111.3-9.6-175.5-66.4-83.4000114.3I32 E38I32-F36 HydrophobicContact CG2-CD2 3.82Å; I32-F36 HydrophobicContact CG2-CE2 4.49Å; I32-F36 WeakPolarHBondContact O-CB 3.21Å; I32-F36 WeakPolarHBondContact O-CD2 3.46Å; I32-F36 PolarHBondContact O-N 3.01Å; F36-E38 PolarHBondContact O-N 2.95Å
37G41.3Very low51.8Low63 Ų6383.8 Ų83.865%0.64943%0.429SS*.SBendtrans75.62-179.200000115.2T33T33-G37 CarbonylContact O-C 3.54Å; T33-G37 WeakPolarHBondContact O-CA 3.23Å; T33-G37 PolarHBondContact O-N 3.44Å
38E39.3Very low53Low62 Ų6285.9 Ų85.929%0.2943%0.434SS..SBendtrans-136.6142.6-176.3-67.7-170.3137.300111.8T33 F36 P40 S44 C45 Q48T33-E38 WeakPolarHBondContact CA-O 3.25Å; F36-E38 PolarHBondContact O-N 2.95Å; E38-P40 WeakPolarHBondContact O-CD 3.12Å; E38-S44 PolarHBondContact OE1-OG 2.89Å; E38-S44 PolarHBondContact OE2-OG 3.13Å; E38-C45 WeakPolarHBondContact OE2-CB 3.29Å; E38-Q48 PolarHBondContact OE1-NE2 3.21Å
39N48.6Very low54.3Low54 Ų5479.1 Ų79.129%0.28942%0.416SS..  trans-69.4118.9177.3-177.52.4000109.5L41 E42N39-L41 PolarHBondContact O-N 3.4Å; N39-L41 PolarHBondContact OD1-N 2.88Å; N39-E42 HydrophobicContact CB-CB 4.32Å; N39-E42 HydrophobicContact CB-CG 4.41Å; N39-E42 PolarHBondContact O-N 3.37Å
40P47.2Very low56Low63 Ų6374.8 Ų74.841%0.40940%0.396SS..THydrogen-bonded Turntrans-65.1-14.3-175.723.6-33.1000114.6I32 E38I32-P40 HydrophobicContact CB-CG 4.12Å; I32-P40 HydrophobicContact CD1-CG 4.33Å; I32-P40 HydrophobicContact CG2-CB 3.95Å; I32-P40 HydrophobicContact CG2-CG 3.76Å; E38-P40 WeakPolarHBondContact O-CD 3.12Å
41L45.6Very low57.5Low83 Ų8373.8 Ų73.844%0.43540%0.395SS..THydrogen-bonded Turntrans-84.1-18.2173.9-66.9172.7000112.9N39N39-L41 PolarHBondContact O-N 3.4Å; N39-L41 PolarHBondContact OD1-N 2.88Å
42E49.6Very low58.9Low126 Ų12672.6 Ų72.659%0.58939%0.393SS*.SBendtrans-94.1127.7176.5-75.1-177.4167.500110N39 S44N39-E42 HydrophobicContact CB-CB 4.32Å; N39-E42 HydrophobicContact CB-CG 4.41Å; N39-E42 PolarHBondContact O-N 3.37Å; E42-S44 PolarHBondContact O-N 3.11Å
43C58.6Low60.8Low24 Ų2473.8 Ų73.816%0.16240%0.4CS..THydrogen-bonded Turntrans-81.330.5-178.4-156.80000112.2C45 C46 D47 H98C43-C45 PolarHBondContact O-N 3.41Å; C43-C46 PolarHBondContact O-N 3.46Å; C43-C46 WeakPolarHBondContact SG-CB 3.23Å; C43-D47 PolarHBondContact O-N 3.45Å; C43-D47 VanDerWaalsContact O-N 3.1Å; C43-H98 WeakPolarHBondContact SG-CB 3.08Å; C43-H98 PolarHBondContact SG-CD2 3.4Å
44S64.4Low62.7Low34 Ų3472 Ų7224%0.23839%0.389CS..Hα-helixtrans-55.9-40.6-177.162.60000110.7E38 E42 D47 Q48E38-S44 PolarHBondContact OE1-OG 2.89Å; E38-S44 PolarHBondContact OE2-OG 3.13Å; E42-S44 PolarHBondContact O-N 3.11Å; S44-D47 PolarHBondContact O-N 2.87Å; S44-Q48 VanDerWaalsContact O-CB 3.29Å; S44-Q48 WeakPolarHBondContact O-CB 3.36Å; S44-Q48 WeakPolarHBondContact O-CG 3.36Å; S44-Q48 PolarHBondContact O-N 3.1Å
45C64.2Low64.3Low57 Ų5772.1 Ų72.139%0.38539%0.389SS..Hα-helixtrans-68.5-37.4-177.966.40000113.9E38 C43 D47 S49E38-C45 WeakPolarHBondContact OE2-CB 3.29Å; C43-C45 PolarHBondContact O-N 3.41Å; C45-D47 VanDerWaalsContact C-N 3.34Å; C45-S49 VanDerWaalsContact O-CB 3.27Å; C45-S49 WeakPolarHBondContact O-CB 3.27Å; C45-S49 PolarHBondContact O-N 3.41Å; C45-S49 PolarHBondContact O-OG 3.33Å
46C65.4Low66.1Low53 Ų5366.1 Ų66.136%0.35836%0.363SS..Hα-helixtrans-72.1-34.8176.1-59.80000110.8C43 S49 A50C43-C46 PolarHBondContact O-N 3.46Å; C43-C46 WeakPolarHBondContact SG-CB 3.23Å; C46-S49 PolarHBondContact O-N 2.87Å; C46-A50 VanDerWaalsContact O-CB 3.26Å; C46-A50 WeakPolarHBondContact O-CB 3.45Å; C46-A50 PolarHBondContact O-N 2.77Å
47D79Confident68.2Low49 Ų4959 Ų5926%0.26233%0.332SS..Hα-helixtrans-68.2-47.2175.7-67.4-13000110.1C43 S44 C45 S49 A50 D51 R100C43-D47 PolarHBondContact O-N 3.45Å; C43-D47 VanDerWaalsContact O-N 3.1Å; S44-D47 PolarHBondContact O-N 2.87Å; C45-D47 VanDerWaalsContact C-N 3.34Å; D47-S49 VanDerWaalsContact C-N 3.29Å; D47-S49 PolarHBondContact O-N 3Å; D47-A50 PolarHBondContact O-N 3.33Å; D47-D51 WeakPolarHBondContact O-CB 3.35Å; D47-D51 PolarHBondContact O-N 2.7Å; D47-R100 IonicContact OD1-CZ 3.04Å; D47-R100 IonicContact OD1-NE 2.73Å; D47-R100 PolarHBondContact OD1-NE 3.22Å; D47-R100 IonicContact OD1-NH2 2.66Å; D47-R100 PolarHBondContact OD1-NH2 3.08Å; D47-R100 IonicContact OD2-NH2 3.13Å; D47-R100 PolarHBondContact OD2-NH2 3.13Å; D47-R100 VanDerWaalsContact OD2-NH2 3.13Å
48Q76Confident70.3Confident85 Ų8562.7 Ų62.740%0.39733%0.33SS..Hα-helixtrans-57.4-39.5171.5-72.8167.821.600112.7E38 S44 K52E38-Q48 PolarHBondContact OE1-NE2 3.21Å; S44-Q48 VanDerWaalsContact O-CB 3.29Å; S44-Q48 WeakPolarHBondContact O-CB 3.36Å; S44-Q48 WeakPolarHBondContact O-CG 3.36Å; S44-Q48 PolarHBondContact O-N 3.1Å; Q48-K52 WeakPolarHBondContact O-CB 3.41Å; Q48-K52 VanDerWaalsContact O-CG 3.23Å; Q48-K52 WeakPolarHBondContact O-CG 3.31Å; Q48-K52 PolarHBondContact O-N 3.41Å
49S75.4Confident72.4Confident47 Ų4770.5 Ų70.533%0.32936%0.356SS..Hα-helixtrans-70-42.4178.1-60.60000111.3C45 C46 D47 D51 K52 I53C45-S49 VanDerWaalsContact O-CB 3.27Å; C45-S49 WeakPolarHBondContact O-CB 3.27Å; C45-S49 PolarHBondContact O-N 3.41Å; C45-S49 PolarHBondContact O-OG 3.33Å; C46-S49 PolarHBondContact O-N 2.87Å; D47-S49 VanDerWaalsContact C-N 3.29Å; D47-S49 PolarHBondContact O-N 3Å; S49-D51 VanDerWaalsContact C-N 3.35Å; S49-K52 PolarHBondContact O-N 3.26Å; S49-I53 WeakPolarHBondContact O-CD1 3.34Å; S49-I53 VanDerWaalsContact O-CG1 3.24Å; S49-I53 WeakPolarHBondContact O-CG1 3.32Å; S49-I53 PolarHBondContact O-N 2.96Å
50A80.6Confident74.1Confident5 Ų569 Ų694%0.04135%0.349CS..Hα-helixtrans-62.4-43.817500000111C46 D47 I53 V54 P67 R100 I102C46-A50 VanDerWaalsContact O-CB 3.26Å; C46-A50 WeakPolarHBondContact O-CB 3.45Å; C46-A50 PolarHBondContact O-N 2.77Å; D47-A50 PolarHBondContact O-N 3.33Å; A50-I53 PolarHBondContact O-N 3.26Å; A50-V54 VanDerWaalsContact O-CG2 3.29Å; A50-V54 WeakPolarHBondContact O-CG2 3.41Å; A50-V54 PolarHBondContact O-N 2.76Å; A50-P67 HydrophobicContact CB-CB 4.02Å; A50-P67 HydrophobicContact CB-CG 4.36Å; A50-R100 HydrophobicContact CB-CB 4.42Å; A50-R100 HydrophobicContact CB-CG 4.29Å; A50-I102 HydrophobicContact CB-CD1 3.96Å
51D85.2Confident75.8Confident90 Ų9068.8 Ų68.848%0.48136%0.358SS..Hα-helixtrans-63.1-44.5177.6-68.9-22.9000111.2D47 S49 I53 V54 E55D47-D51 WeakPolarHBondContact O-CB 3.35Å; D47-D51 PolarHBondContact O-N 2.7Å; S49-D51 VanDerWaalsContact C-N 3.35Å; D51-I53 VanDerWaalsContact C-N 3.34Å; D51-I53 PolarHBondContact O-N 3.1Å; D51-V54 PolarHBondContact O-N 3.41Å; D51-E55 VanDerWaalsContact O-CB 3.31Å; D51-E55 WeakPolarHBondContact O-CB 3.47Å; D51-E55 PolarHBondContact O-N 2.88Å
52K82.5Confident77.5Confident117 Ų11765.1 Ų65.151%0.50934%0.341SS..Hα-helixtrans-59.5-41.2174-77.4173.2-176.61770112.6Q48 S49 T56Q48-K52 WeakPolarHBondContact O-CB 3.41Å; Q48-K52 VanDerWaalsContact O-CG 3.23Å; Q48-K52 WeakPolarHBondContact O-CG 3.31Å; Q48-K52 PolarHBondContact O-N 3.41Å; S49-K52 PolarHBondContact O-N 3.26Å; K52-T56 VanDerWaalsContact O-CB 3.27Å; K52-T56 WeakPolarHBondContact O-CB 3.36Å; K52-T56 PolarHBondContact O-N 2.77Å; K52-T56 PolarHBondContact O-OG1 2.82Å
53I85.7Confident79.2Confident53 Ų5362.6 Ų62.627%0.27234%0.336SS..Hα-helixtrans-63.5-47176.5-71.6164.2000110.4S49 A50 D51 T56 A57 I102 L115 L118S49-I53 WeakPolarHBondContact O-CD1 3.34Å; S49-I53 VanDerWaalsContact O-CG1 3.24Å; S49-I53 WeakPolarHBondContact O-CG1 3.32Å; S49-I53 PolarHBondContact O-N 2.96Å; A50-I53 PolarHBondContact O-N 3.26Å; D51-I53 VanDerWaalsContact C-N 3.34Å; D51-I53 PolarHBondContact O-N 3.1Å; I53-T56 PolarHBondContact O-N 2.83Å; I53-A57 WeakPolarHBondContact O-CB 3.44Å; I53-A57 PolarHBondContact O-N 2.71Å; I53-I102 HydrophobicContact CB-CD1 4.21Å; I53-I102 HydrophobicContact CG2-CD1 3.92Å; I53-I102 HydrophobicContact CG2-CG2 4.48Å; I53-L115 HydrophobicContact CB-CD2 4.47Å; I53-L115 HydrophobicContact CG2-CD2 3.89Å; I53-L118 HydrophobicContact CG1-CD1 3.93Å
54V86.9Confident80.6Confident13 Ų1363 Ų638%0.07934%0.339CS..Hα-helixtrans-64.9-43.4179.5172.70000111A50 D51 A57 K58 V64 I102A50-V54 VanDerWaalsContact O-CG2 3.29Å; A50-V54 WeakPolarHBondContact O-CG2 3.41Å; A50-V54 PolarHBondContact O-N 2.76Å; D51-V54 PolarHBondContact O-N 3.41Å; V54-A57 PolarHBondContact O-N 3.21Å; V54-K58 HydrophobicContact CG1-CD 4.14Å; V54-K58 HydrophobicContact CG1-CG 4.49Å; V54-K58 WeakPolarHBondContact O-CB 3.37Å; V54-K58 WeakPolarHBondContact O-CG 3.47Å; V54-K58 PolarHBondContact O-N 2.99Å; V54-V64 HydrophobicContact CG1-CG1 4.35Å; V54-V64 HydrophobicContact CG2-CG1 4.16Å; V54-I102 HydrophobicContact CG2-CD1 4.16Å; V54-I102 HydrophobicContact CG2-CG1 4.41Å; V54-I102 HydrophobicContact CG2-CG2 4.02Å
55E87.1Confident81.5Confident136 Ų13664.2 Ų64.264%0.63635%0.347SS*.Hα-helixtrans-62.9-44177.5-172.9-179.1-169.600111.5D51 A57 K58 R59D51-E55 VanDerWaalsContact O-CB 3.31Å; D51-E55 WeakPolarHBondContact O-CB 3.47Å; D51-E55 PolarHBondContact O-N 2.88Å; E55-A57 PolarHBondContact O-N 2.87Å; E55-K58 PolarHBondContact O-N 2.69Å; E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.4Å; E55-R59 PolarHBondContact O-N 3.09Å
56T84.1Confident82.4Confident26 Ų2663 Ų6316%0.1634%0.344CS..Hα-helixtrans-64.5-41177.8-57.60000111.8K52 I53 T60 A114 L115K52-T56 VanDerWaalsContact O-CB 3.27Å; K52-T56 WeakPolarHBondContact O-CB 3.36Å; K52-T56 PolarHBondContact O-N 2.77Å; K52-T56 PolarHBondContact O-OG1 2.82Å; I53-T56 PolarHBondContact O-N 2.83Å; T56-T60 WeakPolarHBondContact O-CG2 2.98Å; T56-T60 PolarHBondContact O-N 3.42Å; T56-T60 PolarHBondContact O-OG1 2.79Å; T56-A114 HydrophobicContact CG2-CB 3.6Å; T56-L115 HydrophobicContact CG2-CD2 4.24Å
57A85.5Confident83.4Confident0 Ų062.4 Ų62.40%034%0.34CS..Hα-helixtrans-69.3-39.7177.400000112.3I53 V54 E55 T60 G61 A62 V64 I104 T111 L115I53-A57 WeakPolarHBondContact O-CB 3.44Å; I53-A57 PolarHBondContact O-N 2.71Å; V54-A57 PolarHBondContact O-N 3.21Å; E55-A57 PolarHBondContact O-N 2.87Å; A57-T60 PolarHBondContact O-N 2.8Å; A57-T60 PolarHBondContact O-OG1 2.79Å; A57-G61 PolarHBondContact O-N 3.35Å; A57-A62 PolarHBondContact O-N 2.84Å; A57-A62 VanDerWaalsContact O-N 3.1Å; A57-V64 HydrophobicContact CB-CG2 3.44Å; A57-V64 VanDerWaalsContact CB-CG2 3.44Å; A57-I104 HydrophobicContact CB-CD1 4.06Å; A57-T111 HydrophobicContact CB-CG2 4.18Å; A57-L115 HydrophobicContact CB-CD2 4.48Å
58K85.5Confident83.8Confident139 Ų13963.8 Ų63.860%0.60435%0.346SS*.Hα-helixtrans-64.5-43.9172.2-75.6179.1179.4178.30112.3V54 E55 T60 G61V54-K58 HydrophobicContact CG1-CD 4.14Å; V54-K58 HydrophobicContact CG1-CG 4.49Å; V54-K58 WeakPolarHBondContact O-CB 3.37Å; V54-K58 WeakPolarHBondContact O-CG 3.47Å; V54-K58 PolarHBondContact O-N 2.99Å; E55-K58 PolarHBondContact O-N 2.69Å; K58-T60 PolarHBondContact O-N 2.8Å; K58-G61 PolarHBondContact O-N 2.92Å
59R82.9Confident84.2Confident226 Ų22663.8 Ų63.885%0.85335%0.353SS*.Hα-helixtrans-59.2-31.2178.6-179.7177.8173.4-174.7-1.2112.6E55E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.4Å; E55-R59 PolarHBondContact O-N 3.09Å
60T85.2Confident84.6Confident23 Ų2364.8 Ų64.814%0.14136%0.355CS..THydrogen-bonded Turntrans-89-2.2179.1500000113.7T56 A57 K58 K110 T111 A114T56-T60 WeakPolarHBondContact O-CG2 2.98Å; T56-T60 PolarHBondContact O-N 3.42Å; T56-T60 PolarHBondContact O-OG1 2.79Å; A57-T60 PolarHBondContact O-N 2.8Å; A57-T60 PolarHBondContact O-OG1 2.79Å; K58-T60 PolarHBondContact O-N 2.8Å; T60-K110 HydrophobicContact CG2-CG 4.26Å; T60-T111 VanDerWaalsContact CB-OG1 3.28Å; T60-T111 WeakPolarHBondContact CB-OG1 3.13Å; T60-T111 WeakPolarHBondContact OG1-CA 2.9Å; T60-T111 VanDerWaalsContact OG1-CB 3.32Å; T60-T111 WeakPolarHBondContact OG1-CB 3.26Å; T60-T111 WeakPolarHBondContact OG1-CG2 3.23Å; T60-T111 PolarHBondContact OG1-OG1 3.43Å; T60-A114 HydrophobicContact CG2-CB 3.58Å
61G82.7Confident84.8Confident58 Ų5870 Ų7060%0.59839%0.388SS*.THydrogen-bonded Turntrans87.611.817500000115.1A57 K58A57-G61 PolarHBondContact O-N 3.35Å; K58-G61 PolarHBondContact O-N 2.92Å
62A81.8Confident84.6Confident7 Ų769 Ų696%0.05839%0.385CS..  trans-78.7145.9173.100000111.1A57 I104 T111A57-A62 PolarHBondContact O-N 2.84Å; A57-A62 VanDerWaalsContact O-N 3.1Å; A62-I104 HydrophobicContact CB-CG2 3.62Å; A62-T111 HydrophobicContact CB-CG2 3.77Å
63S83.6Confident84.1Confident72 Ų7268.4 Ų68.450%0.50338%0.384SS..EExtended strand (participates in β ladder)trans-80.4127172.2-570000109I104 V105S63-I104 CarbonylContact O-C 3.53Å; S63-I104 WeakPolarHBondContact O-CA 3.03Å; S63-V105 VanDerWaalsContact CB-O 3.29Å; S63-V105 WeakPolarHBondContact CB-O 3.47Å; S63-V105 PolarHBondContact O-N 2.82Å
64V88.2Confident83.9Confident34 Ų3472.9 Ų72.921%0.20640%0.398CS..EExtended strand (participates in β ladder)trans-122.8134.6-174.7-1730000109.7V54 A57 I102 D103 I104V54-V64 HydrophobicContact CG1-CG1 4.35Å; V54-V64 HydrophobicContact CG2-CG1 4.16Å; A57-V64 HydrophobicContact CB-CG2 3.44Å; A57-V64 VanDerWaalsContact CB-CG2 3.44Å; V64-I102 HydrophobicContact CG1-CG2 3.61Å; V64-D103 CarbonylContact C-O 3.57Å; V64-D103 WeakPolarHBondContact CA-O 3.39Å; V64-I104 HydrophobicContact CG2-CG1 4.39Å
65S83.7Confident82.9Confident59 Ų5974 Ų7441%0.41341%0.406SS..EExtended strand (participates in β ladder)trans-114.7130.9169.4-179.40000109.1D103S65-D103 PolarHBondContact N-O 3.05Å; S65-D103 PolarHBondContact O-N 3.37Å
66G83.1Confident82.2Confident32 Ų3272.1 Ų72.133%0.3340%0.4SS..EExtended strand (participates in β ladder)trans112.2177.8-17300000113.8
67P86.1Confident81.5Confident40 Ų4076.9 Ų76.926%0.2642%0.416SS..EExtended strand (participates in β ladder)cis-88.2113.219.532-30.9000113.9A50 P69 R100 L101 I102A50-P67 HydrophobicContact CB-CB 4.02Å; A50-P67 HydrophobicContact CB-CG 4.36Å; P67-P69 WeakPolarHBondContact O-CD 3.36Å; P67-R100 HydrophobicContact CB-CB 4.35Å; P67-L101 CarbonylContact C-O 3.55Å; P67-L101 WeakPolarHBondContact CA-O 3.42Å; P67-I102 HydrophobicContact CB-CD1 4.37Å; P67-I102 HydrophobicContact CB-CG1 3.93Å
68I87Confident81.1Confident78 Ų7880.3 Ų80.340%0.444%0.437SS..EExtended strand (participates in β ladder)trans-80.7120.7176.2-61.5162.6000108.6L70 R100 L101I68-L70 PolarHBondContact O-N 2.94Å; I68-R100 WeakPolarHBondContact O-CA 3.31Å; I68-L101 HydrophobicContact CB-CB 4.35Å; I68-L101 PolarHBondContact N-O 2.81Å; I68-L101 PolarHBondContact O-N 3.34Å
69P86.5Confident80.7Confident85 Ų8577.3 Ų77.355%0.55243%0.43SS*.EExtended strand (participates in β ladder)trans-66.6120.4170.724.3-28.1000110.2P67P67-P69 WeakPolarHBondContact O-CD 3.36Å
70L83.5Confident80.4Confident68 Ų6871.1 Ų71.136%0.35641%0.413SS..EExtended strand (participates in β ladder)trans-86.7159.3169.3-67.6-179.5000110.2I68 T72 K99 L101I68-L70 PolarHBondContact O-N 2.94Å; L70-T72 PolarHBondContact O-N 2.73Å; L70-K99 HydrophobicContact CB-CB 3.83Å; L70-K99 HydrophobicContact CD1-CB 4.34Å; L70-K99 PolarHBondContact N-O 2.65Å; L70-L101 HydrophobicContact CD1-CB 4.09Å; L70-L101 HydrophobicContact CD2-CB 4.41Å; L70-L101 HydrophobicContact CG-CB 4.1Å
71P84.3Confident79.9Confident115 Ų11577.1 Ų77.175%0.74743%0.433SS*.EExtended strand (participates in β ladder)trans-51128.6179.8-28.435.3000112.4E73P71-E73 PolarHBondContact O-N 2.72Å
72T80.7Confident79.4Confident67 Ų6775.8 Ų75.841%0.41142%0.416SS..EExtended strand (participates in β ladder)trans-75.1123.8179-61.90000109.5L70 R96 T97 H98L70-T72 PolarHBondContact O-N 2.73Å; T72-R96 HydrophobicContact CG2-CB 3.94Å; T72-T97 WeakPolarHBondContact CA-O 3.12Å; T72-H98 PolarHBondContact OG1-ND1 2.79Å; T72-H98 VanDerWaalsContact OG1-ND1 3.1Å
73E72.5Confident79.1Confident106 Ų10682.5 Ų82.550%0.49546%0.456SS..EExtended strand (participates in β ladder)trans-85.6117.4176.5-169.6175.8170.600109.2P71 T97 K99P71-E73 PolarHBondContact O-N 2.72Å; E73-T97 PolarHBondContact N-O 2.86Å; E73-T97 VanDerWaalsContact N-O 3.1Å; E73-T97 PolarHBondContact O-N 2.78Å; E73-K99 IonicContact OE2-NZ 2.93Å; E73-K99 PolarHBondContact OE2-NZ 3.45Å; E73-K99 VanDerWaalsContact OE2-NZ 3.11Å
74R80.6Confident78.6Confident146 Ų14686.7 Ų86.755%0.55147%0.468SS*.EExtended strand (participates in β ladder)trans-104.1114.5179.6-173.4-178.2-177.3-161.11.2109.9L76 E94R74-L76 HydrophobicContact CG-CG 4.42Å; R74-E94 IonicContact CZ-OE2 3.9Å; R74-E94 IonicContact NE-OE2 3.1Å; R74-E94 PolarHBondContact NE-OE2 2.79Å; R74-E94 IonicContact NH2-OE2 3.76Å; R74-E94 PolarHBondContact NH2-OE2 2.98Å
75S67.4Low77.8Confident36 Ų3693 Ų9325%0.25249%0.493SS..EExtended strand (participates in β ladder)trans-101.5120.6170.6-70.40000109.9E94 M95S75-E94 CarbonylContact O-C 3.5Å; S75-E94 WeakPolarHBondContact O-CA 3.2Å; S75-M95 PolarHBondContact N-O 3.03Å; S75-M95 PolarHBondContact O-N 3.37Å
76L71.6Confident77.4Confident97 Ų9796.7 Ų96.751%0.50850%0.498SS..EExtended strand (participates in β ladder)trans-99.8127.7176.8-69.4170.6000110.2R74 E94R74-L76 HydrophobicContact CG-CG 4.42Å; L76-E94 HydrophobicContact CD2-CB 3.65Å
77Y70Confident77Confident127 Ų127101 Ų10150%0.49851%0.508SS..EExtended strand (participates in β ladder)trans-120.1112.4178-62.5-77.8000109.6F93 M95Y77-F93 PolarHBondContact N-O 3.02Å; Y77-F93 PolarHBondContact O-N 2.85Å; Y77-M95 HydrophobicContact CE2-CB 4.27Å
78T75.8Confident76.7Confident72 Ų72105.5 Ų105.544%0.44253%0.53SS..EExtended strand (participates in β ladder)trans-87114.3172.2-44.90000109.8R90 E91 Q92T78-R90 HydrophobicContact CG2-CB 3.68Å; T78-R90 HydrophobicContact CG2-CG 4.12Å; T78-E91 CarbonylContact C-O 3.52Å; T78-E91 WeakPolarHBondContact CA-O 3.06Å; T78-Q92 PolarHBondContact OG1-NE2 3.39Å; T78-Q92 PolarHBondContact OG1-OE1 3.49Å
79V77.6Confident76.1Confident75 Ų75104 Ų10446%0.45553%0.526SS..EExtended strand (participates in β ladder)trans-113.3143.2175.7-174.60000109.1E91 F93V79-E91 PolarHBondContact N-O 2.81Å; V79-E91 PolarHBondContact O-N 2.9Å; V79-F93 HydrophobicContact CB-CD2 4.12Å; V79-F93 HydrophobicContact CB-CE2 3.98Å; V79-F93 HydrophobicContact CG2-CD2 3.88Å; V79-F93 HydrophobicContact CG2-CE2 4.16Å
80I77.6Confident75.9Confident96 Ų96108.5 Ų108.549%0.49253%0.533SS..EExtended strand (participates in β ladder)trans-71.1130.5173.4-61173.9000108.4A82 K87I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 WeakPolarHBondContact CG2-O 3.08Å; I80-A82 PolarHBondContact O-N 2.86Å; I80-K87 HydrophobicContact CG2-CB 4.47Å; I80-K87 WeakPolarHBondContact CG2-O 3.42Å
81R73.2Confident75.5Confident150 Ų150108.5 Ų108.557%0.56653%0.531SS*.SBendtrans-62.3-36.9-179.2-81.7-169.1165170.4-1.4113.9S89 E91R81-S89 PolarHBondContact N-O 2.64Å; R81-E91 HydrophobicContact CG-CB 3.76Å; R81-E91 IonicContact CZ-OE1 3.35Å; R81-E91 IonicContact NE-OE1 3.01Å; R81-E91 PolarHBondContact NE-OE1 3.09Å; R81-E91 IonicContact NE-OE2 3.9Å; R81-E91 IonicContact NH2-OE1 2.82Å; R81-E91 PolarHBondContact NH2-OE1 3.18Å
82A72.3Confident75.1Confident30 Ų30108.4 Ų108.425%0.24852%0.52CS..  trans-146.7144.7-178.600000111.6I80 H84 Y86I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 WeakPolarHBondContact CG2-O 3.08Å; I80-A82 PolarHBondContact O-N 2.86Å; A82-H84 PolarHBondContact O-N 2.84Å; A82-H84 VanDerWaalsContact O-N 3.16Å; A82-Y86 HydrophobicContact CB-CD2 4.16Å
83T77Confident74.6Confident147 Ų147109.8 Ų109.890%0.90252%0.521SS*.SBendtrans-62-25.8-176.450.90000114.3
84H72.2Confident74.5Confident161 Ų161107.7 Ų107.775%0.74551%0.511SS*.SBendtrans-137-62.3-168.6-160.3-58.8000114.8A82 Y86A82-H84 PolarHBondContact O-N 2.84Å; A82-H84 VanDerWaalsContact O-N 3.16Å; H84-Y86 PolarHBondContact O-N 2.95Å
85K71.8Confident74.1Confident167 Ų167106.1 Ų106.173%0.72651%0.511SS*.THydrogen-bonded Turntrans-73.2-30-170.2-167.9175.9-179.9-179.80113.8
86Y74.3Confident74.2Confident135 Ų135110 Ų11053%0.52952%0.52SS..THydrogen-bonded Turntrans-124.437.4-178.7-52-63.4000111.8A82 H84 D88 S89A82-Y86 HydrophobicContact CB-CD2 4.16Å; H84-Y86 PolarHBondContact O-N 2.95Å; Y86-D88 PolarHBondContact O-N 3.07Å; Y86-S89 WeakPolarHBondContact O-CA 2.93Å; Y86-S89 VanDerWaalsContact O-CB 3.27Å; Y86-S89 WeakPolarHBondContact O-CB 3.3Å; Y86-S89 PolarHBondContact O-N 3.31Å
87K75.3Confident74.3Confident122 Ų122107.9 Ų107.953%0.5351%0.511SS..THydrogen-bonded Turntrans-60.3-26.8-173.868176.8-175.6178.90114.2I80 S89I80-K87 HydrophobicContact CG2-CB 4.47Å; I80-K87 WeakPolarHBondContact CG2-O 3.42Å; K87-S89 VanDerWaalsContact C-N 3.35Å
88D78.6Confident74.7Confident135 Ų135105 Ų10572%0.72250%0.503SS*.THydrogen-bonded Turntrans-85.8-13.5177.7-56.9-40.1000112Y86 R90Y86-D88 PolarHBondContact O-N 3.07Å; D88-R90 PolarHBondContact O-N 3.48Å
89S76.1Confident74.8Confident47 Ų47105.9 Ų105.933%0.32950%0.5SS..  trans-80.1117.1172.8-164.30000109.5R81 Y86 K87R81-S89 PolarHBondContact N-O 2.64Å; Y86-S89 WeakPolarHBondContact O-CA 2.93Å; Y86-S89 VanDerWaalsContact O-CB 3.27Å; Y86-S89 WeakPolarHBondContact O-CB 3.3Å; Y86-S89 PolarHBondContact O-N 3.31Å; K87-S89 VanDerWaalsContact C-N 3.35Å
90R80.7Confident74.9Confident180 Ų180106.7 Ų106.768%0.67950%0.495SS*.EExtended strand (participates in β ladder)trans-108134.5-177.3-60-177.2-174.6-168.91.8109.4T78 D88T78-R90 HydrophobicContact CG2-CB 3.68Å; T78-R90 HydrophobicContact CG2-CG 4.12Å; D88-R90 PolarHBondContact O-N 3.48Å
91E75.2Confident75.2Confident68 Ų68105.2 Ų105.232%0.31849%0.488SS..EExtended strand (participates in β ladder)trans-106.1134.5171.3-167.3146.1-11000108.9T78 V79 R81 F93T78-E91 CarbonylContact C-O 3.52Å; T78-E91 WeakPolarHBondContact CA-O 3.06Å; V79-E91 PolarHBondContact N-O 2.81Å; V79-E91 PolarHBondContact O-N 2.9Å; R81-E91 HydrophobicContact CG-CB 3.76Å; R81-E91 IonicContact CZ-OE1 3.35Å; R81-E91 IonicContact NE-OE1 3.01Å; R81-E91 PolarHBondContact NE-OE1 3.09Å; R81-E91 IonicContact NE-OE2 3.9Å; R81-E91 IonicContact NH2-OE1 2.82Å; R81-E91 PolarHBondContact NH2-OE1 3.18Å; E91-F93 HydrophobicContact CB-CE2 3.97Å; E91-F93 HydrophobicContact CB-CZ 4.42Å; E91-F93 HydrophobicContact CG-CD2 4.39Å; E91-F93 HydrophobicContact CG-CE1 4.44Å; E91-F93 HydrophobicContact CG-CE2 3.72Å; E91-F93 HydrophobicContact CG-CZ 3.75Å
92Q76.1Confident75.8Confident113 Ų113100.1 Ų100.153%0.52847%0.471SS..EExtended strand (participates in β ladder)trans-102.6115.1178.7-62.3-67.9-700107.6T78T78-Q92 PolarHBondContact OG1-NE2 3.39Å; T78-Q92 PolarHBondContact OG1-OE1 3.49Å
93F70.2Confident76.3Confident96 Ų96102.2 Ų102.242%0.42148%0.478SS..EExtended strand (participates in β ladder)trans-96.2139.2168.6-64.7-84000108.4Y77 V79 E91Y77-F93 PolarHBondContact N-O 3.02Å; Y77-F93 PolarHBondContact O-N 2.85Å; V79-F93 HydrophobicContact CB-CD2 4.12Å; V79-F93 HydrophobicContact CB-CE2 3.98Å; V79-F93 HydrophobicContact CG2-CD2 3.88Å; V79-F93 HydrophobicContact CG2-CE2 4.16Å; E91-F93 HydrophobicContact CB-CE2 3.97Å; E91-F93 HydrophobicContact CB-CZ 4.42Å; E91-F93 HydrophobicContact CG-CD2 4.39Å; E91-F93 HydrophobicContact CG-CE1 4.44Å; E91-F93 HydrophobicContact CG-CE2 3.72Å; E91-F93 HydrophobicContact CG-CZ 3.75Å
94E70.5Confident76.6Confident62 Ų6297.5 Ų97.529%0.2945%0.447SS..EExtended strand (participates in β ladder)trans-117.3136.8171.767.1178.4-158.200110.6R74 S75 L76 R96R74-E94 IonicContact CZ-OE2 3.9Å; R74-E94 IonicContact NE-OE2 3.1Å; R74-E94 PolarHBondContact NE-OE2 2.79Å; R74-E94 IonicContact NH2-OE2 3.76Å; R74-E94 PolarHBondContact NH2-OE2 2.98Å; S75-E94 CarbonylContact O-C 3.5Å; S75-E94 WeakPolarHBondContact O-CA 3.2Å; L76-E94 HydrophobicContact CD2-CB 3.65Å; E94-R96 IonicContact OE1-CZ 3.41Å; E94-R96 IonicContact OE1-NE 3.05Å; E94-R96 PolarHBondContact OE1-NE 3.36Å; E94-R96 IonicContact OE1-NH2 2.65Å; E94-R96 PolarHBondContact OE1-NH2 2.83Å; E94-R96 IonicContact OE2-NE 2.79Å; E94-R96 IonicContact OE2-NH2 2.72Å
95M71.8Confident76.8Confident113 Ų11393.7 Ų93.756%0.55744%0.435SS*.EExtended strand (participates in β ladder)trans-111.1117166.9-172.4175.4-177.900107.3S75 Y77S75-M95 PolarHBondContact N-O 3.03Å; S75-M95 PolarHBondContact O-N 3.37Å; Y77-M95 HydrophobicContact CE2-CB 4.27Å
96R70.8Confident77.1Confident118 Ų11891.4 Ų91.445%0.44543%0.431SS..EExtended strand (participates in β ladder)trans-99.9122.1173.7-62.9-176.8-175.2-167.71.3108.4T72 E94T72-R96 HydrophobicContact CG2-CB 3.94Å; E94-R96 IonicContact OE1-CZ 3.41Å; E94-R96 IonicContact OE1-NE 3.05Å; E94-R96 PolarHBondContact OE1-NE 3.36Å; E94-R96 IonicContact OE1-NH2 2.65Å; E94-R96 PolarHBondContact OE1-NH2 2.83Å; E94-R96 IonicContact OE2-NE 2.79Å; E94-R96 IonicContact OE2-NH2 2.72Å
97T74.1Confident77.2Confident52 Ų5289 Ų8932%0.31943%0.432SS..EExtended strand (participates in β ladder)trans-101102.9172-52.90000108.1T72 E73 K99T72-T97 WeakPolarHBondContact CA-O 3.12Å; E73-T97 PolarHBondContact N-O 2.86Å; E73-T97 VanDerWaalsContact N-O 3.1Å; E73-T97 PolarHBondContact O-N 2.78Å; T97-K99 HydrophobicContact CG2-CG 4.34Å
98H77.3Confident77.4Confident67 Ų6785.6 Ų85.631%0.3142%0.421SS..EExtended strand (participates in β ladder)trans-82.6135.5172.9-60.2-76.7000109.4C43 T72C43-H98 WeakPolarHBondContact SG-CB 3.08Å; C43-H98 PolarHBondContact SG-CD2 3.4Å; T72-H98 PolarHBondContact OG1-ND1 2.79Å; T72-H98 VanDerWaalsContact OG1-ND1 3.1Å
99K77.5Confident77.3Confident89 Ų8984.2 Ų84.239%0.38742%0.42SS..EExtended strand (participates in β ladder)trans-125.8132.4-178.4-67.5173.8-170.3165.30107.8L70 E73 T97L70-K99 HydrophobicContact CB-CB 3.83Å; L70-K99 HydrophobicContact CD1-CB 4.34Å; L70-K99 PolarHBondContact N-O 2.65Å; E73-K99 IonicContact OE2-NZ 2.93Å; E73-K99 PolarHBondContact OE2-NZ 3.45Å; E73-K99 VanDerWaalsContact OE2-NZ 3.11Å; T97-K99 HydrophobicContact CG2-CG 4.34Å
100R81.2Confident77.5Confident93 Ų9389.1 Ų89.135%0.35144%0.435SS..EExtended strand (participates in β ladder)trans-118.4129.3172.6-62.1-60.3-173153.9-9.1108.3D47 A50 P67 I68D47-R100 IonicContact OD1-CZ 3.04Å; D47-R100 IonicContact OD1-NE 2.73Å; D47-R100 PolarHBondContact OD1-NE 3.22Å; D47-R100 IonicContact OD1-NH2 2.66Å; D47-R100 PolarHBondContact OD1-NH2 3.08Å; D47-R100 IonicContact OD2-NH2 3.13Å; D47-R100 PolarHBondContact OD2-NH2 3.13Å; D47-R100 VanDerWaalsContact OD2-NH2 3.13Å; A50-R100 HydrophobicContact CB-CB 4.42Å; A50-R100 HydrophobicContact CB-CG 4.29Å; P67-R100 HydrophobicContact CB-CB 4.35Å; I68-R100 WeakPolarHBondContact O-CA 3.31Å
101L83.7Confident77.2Confident65 Ų6580.6 Ų80.634%0.3440%0.403SS..EExtended strand (participates in β ladder)trans-95.2126.6171.5-178.169.8000108.6P67 I68 L70P67-L101 CarbonylContact C-O 3.55Å; P67-L101 WeakPolarHBondContact CA-O 3.42Å; I68-L101 HydrophobicContact CB-CB 4.35Å; I68-L101 PolarHBondContact N-O 2.81Å; I68-L101 PolarHBondContact O-N 3.34Å; L70-L101 HydrophobicContact CD1-CB 4.09Å; L70-L101 HydrophobicContact CD2-CB 4.41Å; L70-L101 HydrophobicContact CG-CB 4.1Å
102I86.1Confident77.2Confident42 Ų4280.1 Ų80.122%0.21540%0.404CS..EExtended strand (participates in β ladder)trans-129.8113.4175.9-56.9168.2000106.3A50 I53 V54 V64 P67A50-I102 HydrophobicContact CB-CD1 3.96Å; I53-I102 HydrophobicContact CB-CD1 4.21Å; I53-I102 HydrophobicContact CG2-CD1 3.92Å; I53-I102 HydrophobicContact CG2-CG2 4.48Å; V54-I102 HydrophobicContact CG2-CD1 4.16Å; V54-I102 HydrophobicContact CG2-CG1 4.41Å; V54-I102 HydrophobicContact CG2-CG2 4.02Å; V64-I102 HydrophobicContact CG1-CG2 3.61Å; P67-I102 HydrophobicContact CB-CD1 4.37Å; P67-I102 HydrophobicContact CB-CG1 3.93Å
103D81.5Confident77Confident74 Ų7478.9 Ų78.940%0.39640%0.401SS..EExtended strand (participates in β ladder)trans-99.4124177.6-68.3-24.4000109.1V64 S65V64-D103 CarbonylContact C-O 3.57Å; V64-D103 WeakPolarHBondContact CA-O 3.39Å; S65-D103 PolarHBondContact N-O 3.05Å; S65-D103 PolarHBondContact O-N 3.37Å
104I84.4Confident77.2Confident49 Ų4975.5 Ų75.525%0.25139%0.391SS..EExtended strand (participates in β ladder)trans-101.9102.6173.3-55.5179.8000107.4A57 A62 S63 V64 N106 P107 L115A57-I104 HydrophobicContact CB-CD1 4.06Å; A62-I104 HydrophobicContact CB-CG2 3.62Å; S63-I104 CarbonylContact O-C 3.53Å; S63-I104 WeakPolarHBondContact O-CA 3.03Å; V64-I104 HydrophobicContact CG2-CG1 4.39Å; I104-N106 PolarHBondContact O-N 2.77Å; I104-P107 HydrophobicContact CG2-CB 4.38Å; I104-L115 HydrophobicContact CD1-CD1 3.43Å; I104-L115 VanDerWaalsContact CD1-CD1 3.43Å
105V76.7Confident77.3Confident81 Ų8174.7 Ų74.749%0.49139%0.389SS..EExtended strand (participates in β ladder)trans-85.1103.6178-172.20000106.7S63S63-V105 VanDerWaalsContact CB-O 3.29Å; S63-V105 WeakPolarHBondContact CB-O 3.47Å; S63-V105 PolarHBondContact O-N 2.82Å
106N77.2Confident76.9Confident119 Ų11973.1 Ų73.164%0.63638%0.381SS*.SBendtrans8080.2-175.5-46.6-46.1000115.1I104I104-N106 PolarHBondContact O-N 2.77Å
107P76.1Confident76.6Confident85 Ų8574.6 Ų74.655%0.55239%0.391SS*.  trans-73128.5172.730-32.8000111.1I104 V112I104-P107 HydrophobicContact CG2-CB 4.38Å; P107-V112 HydrophobicContact CB-CG2 4.2Å
108T78.6Confident75.5Confident49 Ų4974.5 Ų74.530%0.30139%0.388SS..  trans-83.9152.1165.673.20000109.8K110 T111 V112T108-K110 PolarHBondContact O-N 3.44Å; T108-T111 WeakPolarHBondContact O-CA 3.24Å; T108-T111 VanDerWaalsContact O-CB 3.25Å; T108-T111 WeakPolarHBondContact O-CB 3.31Å; T108-T111 PolarHBondContact O-N 2.95Å; T108-T111 PolarHBondContact OG1-N 2.61Å; T108-T111 VanDerWaalsContact OG1-N 3.09Å; T108-T111 PolarHBondContact OG1-OG1 3Å; T108-V112 PolarHBondContact O-N 2.91Å; T108-V112 VanDerWaalsContact O-N 3.1Å
109P78.3Confident73.9Confident107 Ų10779.2 Ų79.270%0.69542%0.415SS*.Hα-helixtrans-54.1-37.1175.4-26.634.5000112.5T111 V112 D113P109-T111 VanDerWaalsContact C-N 3.33Å; P109-T111 PolarHBondContact O-N 3.28Å; P109-V112 PolarHBondContact O-N 3.35Å; P109-D113 PolarHBondContact O-N 2.85Å
110K78.9Confident71.9Confident150 Ų15081.1 Ų81.165%0.65243%0.429SS*.Hα-helixtrans-63.3-36.8174.6-170.8179-178.4179.90112.8T60 T108 A114T60-K110 HydrophobicContact CG2-CG 4.26Å; T108-K110 PolarHBondContact O-N 3.44Å; K110-A114 WeakPolarHBondContact O-CB 3.44Å; K110-A114 PolarHBondContact O-N 2.75Å
111T75.4Confident69.5Low1 Ų182.6 Ų82.61%0.00645%0.451CS..Hα-helixtrans-64.3-45.3174.1-57.70000111.1A57 T60 A62 T108 P109 D113 A114 L115A57-T111 HydrophobicContact CB-CG2 4.18Å; T60-T111 VanDerWaalsContact CB-OG1 3.28Å; T60-T111 WeakPolarHBondContact CB-OG1 3.13Å; T60-T111 WeakPolarHBondContact OG1-CA 2.9Å; T60-T111 VanDerWaalsContact OG1-CB 3.32Å; T60-T111 WeakPolarHBondContact OG1-CB 3.26Å; T60-T111 WeakPolarHBondContact OG1-CG2 3.23Å; T60-T111 PolarHBondContact OG1-OG1 3.43Å; A62-T111 HydrophobicContact CB-CG2 3.77Å; T108-T111 WeakPolarHBondContact O-CA 3.24Å; T108-T111 VanDerWaalsContact O-CB 3.25Å; T108-T111 WeakPolarHBondContact O-CB 3.31Å; T108-T111 PolarHBondContact O-N 2.95Å; T108-T111 PolarHBondContact OG1-N 2.61Å; T108-T111 VanDerWaalsContact OG1-N 3.09Å; T108-T111 PolarHBondContact OG1-OG1 3Å; P109-T111 VanDerWaalsContact C-N 3.33Å; P109-T111 PolarHBondContact O-N 3.28Å; T111-D113 VanDerWaalsContact C-N 3.34Å; T111-D113 PolarHBondContact O-N 3Å; T111-A114 PolarHBondContact O-N 3.39Å; T111-L115 HydrophobicContact CG2-CD1 3.8Å; T111-L115 HydrophobicContact CG2-CG 4.26Å; T111-L115 WeakPolarHBondContact O-CB 3.44Å; T111-L115 VanDerWaalsContact O-CG 3.25Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.32Å
112V75.6Confident66.8Low57 Ų5784 Ų8435%0.34547%0.466SS..Hα-helixtrans-60.1-46.7178.3179.60000110.2P107 T108 P109 A114 L115 M116P107-V112 HydrophobicContact CB-CG2 4.2Å; T108-V112 PolarHBondContact O-N 2.91Å; T108-V112 VanDerWaalsContact O-N 3.1Å; P109-V112 PolarHBondContact O-N 3.35Å; V112-A114 PolarHBondContact O-N 2.81Å; V112-L115 PolarHBondContact O-N 2.95Å; V112-M116 HydrophobicContact CG1-CE 3.57Å; V112-M116 HydrophobicContact CG1-CG 4.45Å; V112-M116 HydrophobicContact CG1-SD 4.13Å; V112-M116 WeakPolarHBondContact O-CB 3.49Å; V112-M116 VanDerWaalsContact O-CG 3.25Å; V112-M116 WeakPolarHBondContact O-CG 3.49Å; V112-M116 PolarHBondContact O-N 3.17Å
113D70.5Confident64.2Low87 Ų8782.8 Ų82.847%0.46546%0.464SS..Hα-helixtrans-62.3-42.9177.8-75.8-11.1000112.8P109 T111 M116 K117P109-D113 PolarHBondContact O-N 2.85Å; T111-D113 VanDerWaalsContact C-N 3.34Å; T111-D113 PolarHBondContact O-N 3Å; D113-M116 PolarHBondContact O-N 2.88Å; D113-K117 WeakPolarHBondContact O-CB 3.42Å; D113-K117 WeakPolarHBondContact O-CG 3.23Å; D113-K117 PolarHBondContact O-N 3.43Å
114A74.6Confident62.3Low26 Ų2684.1 Ų84.122%0.21547%0.466CS..Hα-helixtrans-66.5-41.1179.200000111.9T56 T60 K110 T111 V112 M116 K117 L118T56-A114 HydrophobicContact CG2-CB 3.6Å; T60-A114 HydrophobicContact CG2-CB 3.58Å; K110-A114 WeakPolarHBondContact O-CB 3.44Å; K110-A114 PolarHBondContact O-N 2.75Å; T111-A114 PolarHBondContact O-N 3.39Å; V112-A114 PolarHBondContact O-N 2.81Å; A114-M116 VanDerWaalsContact C-N 3.35Å; A114-K117 PolarHBondContact O-N 3.46Å; A114-L118 PolarHBondContact O-N 2.85Å
115L72.6Confident60.3Low44 Ų4482.8 Ų82.823%0.2346%0.458CS..Hα-helixtrans-66.1-38.8175.6-72.2173.8000111.9I53 T56 A57 I104 T111 V112 K117 L118I53-L115 HydrophobicContact CB-CD2 4.47Å; I53-L115 HydrophobicContact CG2-CD2 3.89Å; T56-L115 HydrophobicContact CG2-CD2 4.24Å; A57-L115 HydrophobicContact CB-CD2 4.48Å; I104-L115 HydrophobicContact CD1-CD1 3.43Å; I104-L115 VanDerWaalsContact CD1-CD1 3.43Å; T111-L115 HydrophobicContact CG2-CD1 3.8Å; T111-L115 HydrophobicContact CG2-CG 4.26Å; T111-L115 WeakPolarHBondContact O-CB 3.44Å; T111-L115 VanDerWaalsContact O-CG 3.25Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.32Å; V112-L115 PolarHBondContact O-N 2.95Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-L118 HydrophobicContact CD2-CD1 4.2Å; L115-L118 PolarHBondContact O-N 2.82Å
116M64.5Low59.1Low80 Ų8082.7 Ų82.739%0.39446%0.458SS..Hα-helixtrans-62.7-41.6173.4-74.8-177179.200110.5V112 D113 A114 L118 R299V112-M116 HydrophobicContact CG1-CE 3.57Å; V112-M116 HydrophobicContact CG1-CG 4.45Å; V112-M116 HydrophobicContact CG1-SD 4.13Å; V112-M116 WeakPolarHBondContact O-CB 3.49Å; V112-M116 VanDerWaalsContact O-CG 3.25Å; V112-M116 WeakPolarHBondContact O-CG 3.49Å; V112-M116 PolarHBondContact O-N 3.17Å; D113-M116 PolarHBondContact O-N 2.88Å; A114-M116 VanDerWaalsContact C-N 3.35Å; M116-L118 PolarHBondContact O-N 3.45Å; M116-R299 PolarHBondContact O-NH1 3.21Å; M116-R299 PolarHBondContact O-NH2 3.08Å
117K63.9Low58.1Low150 Ų15077.6 Ų77.665%0.65243%0.434SS*.THydrogen-bonded Turntrans-74.31.6-177.2-72.8172.2-174.7178.90115.1D113 A114 L115 D119D113-K117 WeakPolarHBondContact O-CB 3.42Å; D113-K117 WeakPolarHBondContact O-CG 3.23Å; D113-K117 PolarHBondContact O-N 3.43Å; A114-K117 PolarHBondContact O-N 3.46Å; L115-K117 VanDerWaalsContact C-N 3.32Å; K117-D119 PolarHBondContact O-N 3.44Å
118L50.9Low57.5Low50 Ų5078.4 Ų78.426%0.26243%0.431SS..SBendtrans-65.6119.9170.4-76.4168.9000110.1I53 A114 L115 M116 L120I53-L118 HydrophobicContact CG1-CD1 3.93Å; A114-L118 PolarHBondContact O-N 2.85Å; L115-L118 HydrophobicContact CD2-CD1 4.2Å; L115-L118 PolarHBondContact O-N 2.82Å; M116-L118 PolarHBondContact O-N 3.45Å; L118-L120 PolarHBondContact O-N 2.93Å
119D43.1Very low57Low166 Ų16679.4 Ų79.489%0.88844%0.437SS*.  trans-67.197.3175.8-74.4-36.8000110.4K117K117-D119 PolarHBondContact O-N 3.44Å
120L36.9Very low56.4Low128 Ų12880.1 Ų80.167%0.6743%0.431SS*.  trans-106.7132.4166.3-66.8173.6000108.5L118 S122L118-L120 PolarHBondContact O-N 2.93Å; L120-S122 PolarHBondContact O-N 3.43Å
121P30.4Very low56.1Low124 Ų12475.4 Ų75.481%0.80541%0.413SS*.  trans-66.3102.6-165.220.7-30.8000114.8
122S27.4Very low55.7Low94 Ų9481.6 Ų81.666%0.65744%0.44SS*.  trans45.9154.6135.669.80000123.3L120L120-S122 PolarHBondContact O-N 3.43Å
123G31.4Very low55.2Low17 Ų1780.9 Ų80.918%0.17544%0.436CS..  trans-92.5-158.6-160.200000118.1E145G123-E145 VanDerWaalsContact CA-OE1 3.3Å; G123-E145 WeakPolarHBondContact CA-OE1 3.28Å; G123-E145 WeakPolarHBondContact CA-OE2 3.44Å; G123-E145 PolarHBondContact N-OE1 3.3Å; G123-E145 PolarHBondContact N-OE2 2.9Å
124K41.4Very low55.3Low103 Ų10386.7 Ų86.745%0.44846%0.46SS..SBend102.2156.1-112.1-91.7157143-128.40112.1V126 E145 K313K124-V126 VanDerWaalsContact C-N 3.25Å; K124-V126 WeakPolarHBondContact O-CA 3.41Å; K124-V126 WeakPolarHBondContact O-CG2 3.06Å; K124-V126 PolarHBondContact O-N 3.46Å; K124-E145 PolarHBondContact N-OE2 3.06Å; K124-K313 VanDerWaalsContact CB-CA 3.45Å; K124-K313 HydrophobicContact CB-CB 3.47Å; K124-K313 VanDerWaalsContact CB-CB 3.47Å; K124-K313 HydrophobicContact CB-CD 4.23Å; K124-K313 HydrophobicContact CB-CG 3.54Å; K124-K313 HydrophobicContact CD-CB 3.34Å; K124-K313 HydrophobicContact CD-CD 3.73Å; K124-K313 HydrophobicContact CD-CG 3.78Å; K124-K313 WeakPolarHBondContact CE-O 3.45Å; K124-K313 VanDerWaalsContact CG-CA 3.45Å; K124-K313 HydrophobicContact CG-CB 3.38Å; K124-K313 HydrophobicContact CG-CD 4.43Å; K124-K313 HydrophobicContact CG-CG 3.94Å; K124-K313 PolarHBondContact NZ-O 3.33Å
125K41.5Very low55Low20 Ų2090.1 Ų90.19%0.08748%0.483CS..SBendtrans-47.595.4163.2172.6177.9-179.4178.20108.3T142 V308 K313 I316K125-T142 HydrophobicContact CD-CG2 4.07Å; K125-T142 HydrophobicContact CG-CG2 3.9Å; K125-V308 PolarHBondContact NZ-O 2.91Å; K125-K313 PolarHBondContact O-N 3.07Å; K125-I316 HydrophobicContact CB-CD1 4.38Å
126V51.3Low54.4Low80 Ų8090.7 Ų90.749%0.48550%0.499SS..  trans-72.3-46.8-163.4-174.60000107.3K124 V143K124-V126 VanDerWaalsContact C-N 3.25Å; K124-V126 WeakPolarHBondContact O-CA 3.41Å; K124-V126 WeakPolarHBondContact O-CG2 3.06Å; K124-V126 PolarHBondContact O-N 3.46Å; V126-V143 HydrophobicContact CB-CB 4.47Å; V126-V143 HydrophobicContact CG2-CG1 4.16Å
127G56.5Low54.5Low12 Ų1292.5 Ų92.512%0.12451%0.506CS..  trans-176.8-177.4178.500000110.7V143G127-V143 PolarHBondContact O-N 2.72Å
128M63.2Low54.7Low102 Ų10289.2 Ų89.250%0.50250%0.496SS..EExtended strand (participates in β ladder)trans-94.3136.2158.5-74.8161.2174.100106.5V141 N307M128-V141 WeakPolarHBondContact CA-O 3.39Å; M128-N307 HydrophobicContact CE-CB 4.32Å; M128-N307 WeakPolarHBondContact CE-OD1 3.28Å
129T68.4Low55.8Low69 Ų6987.6 Ų87.642%0.42349%0.487SS..EExtended strand (participates in β ladder)trans-122.7164.6170.7530000107.8V141 V143T129-V141 PolarHBondContact N-O 3.09Å; T129-V141 VanDerWaalsContact O-CG2 3.3Å; T129-V141 WeakPolarHBondContact O-CG2 3.47Å; T129-V141 PolarHBondContact O-N 3.37Å; T129-V141 WeakPolarHBondContact OG1-CG2 3.31Å; T129-V143 HydrophobicContact CG2-CG2 4.11Å; T129-V143 WeakPolarHBondContact OG1-CG2 3.49Å
130Q65.7Low57.6Low122 Ų12283.3 Ų83.357%0.5747%0.468SS*.EExtended strand (participates in β ladder)trans-112.5133.1173.160.8-167.723.900107.5L138Q130-L138 HydrophobicContact CB-CD1 4.45Å; Q130-L138 HydrophobicContact CB-CD2 4.01Å; Q130-L138 HydrophobicContact CB-CG 4.1Å
131I72.1Confident59.9Low52 Ų5277.2 Ų77.227%0.26744%0.436SS..EExtended strand (participates in β ladder)trans-115138.5174.9-63.8176.2000107.1I139 V141 L303I131-I139 PolarHBondContact N-O 2.83Å; I131-I139 VanDerWaalsContact N-O 3.13Å; I131-I139 PolarHBondContact O-N 3.16Å; I131-V141 HydrophobicContact CD1-CG1 4.27Å; I131-V141 HydrophobicContact CD1-CG2 3.65Å; I131-V141 HydrophobicContact CG1-CG2 3.73Å; I131-L303 HydrophobicContact CD1-CB 4.5Å; I131-L303 HydrophobicContact CD1-CD1 3.46Å; I131-L303 VanDerWaalsContact CD1-CD1 3.46Å; I131-L303 HydrophobicContact CD1-CD2 4.27Å; I131-L303 HydrophobicContact CD1-CG 4.28Å
132F67.5Low62.4Low130 Ų13071.3 Ų71.357%0.5740%0.398SS*.EExtended strand (participates in β ladder)trans-92.1126.8170.3-64.4-81000108.5E137 L138F132-E137 WeakPolarHBondContact CA-O 3.39Å; F132-L138 HydrophobicContact CD1-CB 4.42Å; F132-L138 HydrophobicContact CE1-CB 4.15Å; F132-L138 HydrophobicContact CE1-CD1 4.05Å; F132-L138 HydrophobicContact CE1-CG 4.28Å; F132-L138 HydrophobicContact CZ-CD1 4.19Å
133T66.5Low65.1Low42 Ų4267.8 Ų67.826%0.25837%0.372SS..  trans-74.3166.8169.253.80000110.5S135 G136 E137 I139T133-S135 PolarHBondContact O-N 3.32Å; T133-S135 PolarHBondContact OG1-OG 3.45Å; T133-G136 PolarHBondContact O-N 3.11Å; T133-E137 PolarHBondContact N-O 3.13Å; T133-E137 VanDerWaalsContact N-O 3.09Å; T133-E137 WeakPolarHBondContact OG1-CB 3.39Å; T133-E137 PolarHBondContact OG1-N 3.32Å; T133-E137 VanDerWaalsContact OG1-N 3.15Å; T133-E137 PolarHBondContact OG1-O 3.15Å; T133-I139 HydrophobicContact CG2-CD1 3.39Å; T133-I139 HydrophobicContact CG2-CG1 4.02Å
134E70.8Confident67.6Low210 Ų21067.4 Ų67.498%0.98137%0.366SS*.THydrogen-bonded Turntrans-58.4-26.1173.2-63.5177.6177.300112.5G136E134-G136 PolarHBondContact O-N 2.91Å
135S68.3Low69.5Low98 Ų9864.7 Ų64.769%0.68536%0.355SS*.THydrogen-bonded Turntrans-75.7-3.3173.755.50000114.5T133 E137T133-S135 PolarHBondContact O-N 3.32Å; T133-S135 PolarHBondContact OG1-OG 3.45Å; S135-E137 VanDerWaalsContact C-N 3.3Å
136G61.4Low71.3Confident55 Ų5564.7 Ų64.757%0.56736%0.358SS*.  trans77.79-176.100000114.5T133 E134T133-G136 PolarHBondContact O-N 3.11Å; E134-G136 PolarHBondContact O-N 2.91Å
137E66Low72.7Confident118 Ų11863.5 Ų63.555%0.55135%0.351SS*.  trans-77.8136.1177.1-167.5-179.6170.900110.9F132 T133 S135F132-E137 WeakPolarHBondContact CA-O 3.39Å; T133-E137 PolarHBondContact N-O 3.13Å; T133-E137 VanDerWaalsContact N-O 3.09Å; T133-E137 WeakPolarHBondContact OG1-CB 3.39Å; T133-E137 PolarHBondContact OG1-N 3.32Å; T133-E137 VanDerWaalsContact OG1-N 3.15Å; T133-E137 PolarHBondContact OG1-O 3.15Å; S135-E137 VanDerWaalsContact C-N 3.3Å
138L67.3Low73.8Confident82 Ų8264.6 Ų64.643%0.42936%0.356SS..EExtended strand (participates in β ladder)trans-87109.6175.4-173.1157.1000109.5Q130 F132Q130-L138 HydrophobicContact CB-CD1 4.45Å; Q130-L138 HydrophobicContact CB-CD2 4.01Å; Q130-L138 HydrophobicContact CB-CG 4.1Å; F132-L138 HydrophobicContact CD1-CB 4.42Å; F132-L138 HydrophobicContact CE1-CB 4.15Å; F132-L138 HydrophobicContact CE1-CD1 4.05Å; F132-L138 HydrophobicContact CE1-CG 4.28Å; F132-L138 HydrophobicContact CZ-CD1 4.19Å
139I74.8Confident74.8Confident16 Ų1661.6 Ų61.68%0.08234%0.343CS..EExtended strand (participates in β ladder)trans-101.7118.8175.7-56.5-176.2000109.4I131 T133 V141 V293 K305I131-I139 PolarHBondContact N-O 2.83Å; I131-I139 VanDerWaalsContact N-O 3.13Å; I131-I139 PolarHBondContact O-N 3.16Å; T133-I139 HydrophobicContact CG2-CD1 3.39Å; T133-I139 HydrophobicContact CG2-CG1 4.02Å; I139-V141 HydrophobicContact CG2-CG1 3.97Å; I139-V141 PolarHBondContact O-N 2.84Å; I139-V293 HydrophobicContact CG2-CG2 4.3Å; I139-K305 HydrophobicContact CG2-CB 4.42Å; I139-K305 HydrophobicContact CG2-CD 4.04Å; I139-K305 HydrophobicContact CG2-CG 3.71Å
140P81.1Confident75.5Confident75 Ų7559 Ų5949%0.48733%0.326SS..EExtended strand (participates in β ladder)trans-69.9122.8169.929-32.1000108.6G306P140-G306 PolarHBondContact O-N 3.22Å
141V84.6Confident76.3Confident0 Ų053.2 Ų53.20%030%0.299CS..EExtended strand (participates in β ladder)trans-120.4146.2178.9-62.40000111.2M128 T129 I131 I139 V293 L303 V304M128-V141 WeakPolarHBondContact CA-O 3.39Å; T129-V141 PolarHBondContact N-O 3.09Å; T129-V141 VanDerWaalsContact O-CG2 3.3Å; T129-V141 WeakPolarHBondContact O-CG2 3.47Å; T129-V141 PolarHBondContact O-N 3.37Å; T129-V141 WeakPolarHBondContact OG1-CG2 3.31Å; I131-V141 HydrophobicContact CD1-CG1 4.27Å; I131-V141 HydrophobicContact CD1-CG2 3.65Å; I131-V141 HydrophobicContact CG1-CG2 3.73Å; I139-V141 HydrophobicContact CG2-CG1 3.97Å; I139-V141 PolarHBondContact O-N 2.84Å; V141-V293 HydrophobicContact CG1-CB 4.21Å; V141-V293 HydrophobicContact CG1-CG1 4.47Å; V141-V293 HydrophobicContact CG1-CG2 3.77Å; V141-L303 HydrophobicContact CG2-CD2 4.25Å; V141-V304 CarbonylContact C-O 3.55Å; V141-V304 VanDerWaalsContact CA-O 3.31Å; V141-V304 WeakPolarHBondContact CA-O 3.37Å
142T83Confident76.8Confident0 Ų050.9 Ų50.90%029%0.287CS..EExtended strand (participates in β ladder)trans-99.2124.9166.4-62.80000109.1K125 I144 V304 G306 V308K125-T142 HydrophobicContact CD-CG2 4.07Å; K125-T142 HydrophobicContact CG-CG2 3.9Å; T142-I144 HydrophobicContact CG2-CG1 4.32Å; T142-I144 PolarHBondContact O-N 2.83Å; T142-V304 PolarHBondContact N-O 3.15Å; T142-V304 PolarHBondContact O-N 3.06Å; T142-G306 PolarHBondContact OG1-O 3.28Å; T142-V308 HydrophobicContact CG2-CB 3.92Å; T142-V308 HydrophobicContact CG2-CG2 3.69Å
143V84.8Confident77.5Confident20 Ų2047 Ų4712%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-78.5117172.1-170.90000109.2V126 G127 T129 V301 L303V126-V143 HydrophobicContact CB-CB 4.47Å; V126-V143 HydrophobicContact CG2-CG1 4.16Å; G127-V143 PolarHBondContact O-N 2.72Å; T129-V143 HydrophobicContact CG2-CG2 4.11Å; T129-V143 WeakPolarHBondContact OG1-CG2 3.49Å; V143-V301 HydrophobicContact CG1-CG1 3.4Å; V143-L303 HydrophobicContact CB-CD2 4.26Å; V143-L303 HydrophobicContact CG1-CD2 4.31Å; V143-L303 HydrophobicContact CG2-CD2 3.73Å
144I84.3Confident78.4Confident10 Ų1046.6 Ų46.65%0.05127%0.268CS..EExtended strand (participates in β ladder)trans-110.5120173.4-53.7-179.9000108.1T142 V301 I302 V304 V308 I318T142-I144 HydrophobicContact CG2-CG1 4.32Å; T142-I144 PolarHBondContact O-N 2.83Å; I144-V301 CarbonylContact O-C 3.49Å; I144-V301 WeakPolarHBondContact O-CA 3.41Å; I144-I302 HydrophobicContact CB-CB 4.46Å; I144-I302 PolarHBondContact N-O 2.8Å; I144-I302 PolarHBondContact O-N 3.49Å; I144-V304 HydrophobicContact CD1-CB 4.26Å; I144-V304 HydrophobicContact CD1-CG2 3.52Å; I144-V304 HydrophobicContact CG1-CG2 4.24Å; I144-V308 HydrophobicContact CD1-CG2 3.99Å; I144-V308 HydrophobicContact CG1-CG2 4.44Å; I144-I318 HydrophobicContact CD1-CD1 4Å; I144-I318 HydrophobicContact CG2-CD1 4.27Å
145E81.5Confident79Confident46 Ų4637.5 Ų37.522%0.21523%0.225CC..EExtended strand (participates in β ladder)trans-82.1129.9166-176.6-166.9-126.600108.8G123 K124G123-E145 VanDerWaalsContact CA-OE1 3.3Å; G123-E145 WeakPolarHBondContact CA-OE1 3.28Å; G123-E145 WeakPolarHBondContact CA-OE2 3.44Å; G123-E145 PolarHBondContact N-OE1 3.3Å; G123-E145 PolarHBondContact N-OE2 2.9Å; K124-E145 PolarHBondContact N-OE2 3.06Å
146A78.9Confident79.8Confident19 Ų1934.8 Ų34.816%0.15720%0.204CC..  trans-127.271.4-178.800000109.3V215 N300 I302A146-V215 HydrophobicContact CB-CG2 3.77Å; A146-V215 WeakPolarHBondContact O-CG2 3.4Å; A146-N300 PolarHBondContact N-O 3.48Å; A146-I302 HydrophobicContact CB-CD1 4.01Å; A146-I302 HydrophobicContact CB-CG1 4.37Å
147T80.8Confident80.7Confident55 Ų5538.5 Ų38.534%0.33721%0.209SC..PPolyproline II helixtrans-50.7144.7171-45.90000110.7N149T147-N149 PolarHBondContact O-N 3.44Å
148P79.3Confident81.5Confident35 Ų3541.8 Ų41.823%0.22722%0.224CC..PPolyproline II helixtrans-48.9129.7179.4-3035.2000112.7K214P148-K214 HydrophobicContact CB-CG 4.46Å; P148-K214 HydrophobicContact CG-CG 4.39Å
149N83.2Confident82.1Confident40 Ų4044.2 Ų44.221%0.21424%0.237CC..EExtended strand (participates in β ladder)trans-96.5141.7177-61.3-68.5000109.3T147 L167 Y169 E212 V213T147-N149 PolarHBondContact O-N 3.44Å; N149-L167 HydrophobicContact CB-CB 4.45Å; N149-L167 HydrophobicContact CB-CD1 4.5Å; N149-L167 HydrophobicContact CB-CD2 4.46Å; N149-Y169 WeakPolarHBondContact OD1-CB 3.39Å; N149-Y169 VanDerWaalsContact OD1-CD2 3.28Å; N149-Y169 WeakPolarHBondContact OD1-CD2 3.44Å; N149-E212 CarbonylContact O-C 3.6Å; N149-E212 WeakPolarHBondContact O-CA 3.43Å; N149-V213 HydrophobicContact CB-CB 4.39Å; N149-V213 PolarHBondContact N-O 3.29Å; N149-V213 PolarHBondContact O-N 3.15Å
150I83Confident82.5Confident14 Ų1446.2 Ų46.27%0.07225%0.248CC..EExtended strand (participates in β ladder)trans-105136.5178.5-73.5154.1000110.1L152 L167 G168 T190 E212I150-L152 HydrophobicContact CG2-CD2 4.4Å; I150-L152 PolarHBondContact O-N 2.96Å; I150-L167 WeakPolarHBondContact O-CA 3.31Å; I150-G168 PolarHBondContact N-O 2.91Å; I150-G168 VanDerWaalsContact N-O 3.12Å; I150-G168 PolarHBondContact O-N 2.9Å; I150-T190 HydrophobicContact CD1-CG2 3.87Å; I150-T190 HydrophobicContact CG1-CG2 4.46Å; I150-T190 HydrophobicContact CG2-CG2 3.65Å; I150-E212 HydrophobicContact CG1-CG 3.98Å
151V82.6Confident82.7Confident0 Ų045.4 Ų45.40%025%0.253CS..EExtended strand (participates in β ladder)trans-72.4114.1170.2-178.30000109.7V154 V165 L167 Y207 E208 G210 K211 V213V151-V154 HydrophobicContact CG1-CG2 3.91Å; V151-V165 HydrophobicContact CG1-CG1 3.84Å; V151-V165 HydrophobicContact CG2-CG1 4.08Å; V151-L167 HydrophobicContact CB-CD2 4.35Å; V151-L167 HydrophobicContact CG2-CD2 3.64Å; V151-Y207 HydrophobicContact CG2-CD1 4.18Å; V151-E208 WeakPolarHBondContact CB-O 3.36Å; V151-G210 PolarHBondContact O-N 2.71Å; V151-K211 HydrophobicContact CG2-CB 4.46Å; V151-K211 PolarHBondContact N-O 2.73Å; V151-V213 HydrophobicContact CG2-CG2 4.16Å
152L82.8Confident82.6Confident3 Ų349 Ų492%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-89.7-41179.5-65.5179.4000112.6I150 Q166 V185 A188 K193 I196 V209I150-L152 HydrophobicContact CG2-CD2 4.4Å; I150-L152 PolarHBondContact O-N 2.96Å; L152-Q166 PolarHBondContact N-O 3.22Å; L152-V185 HydrophobicContact CD1-CG2 4.39Å; L152-V185 HydrophobicContact CD2-CB 4.47Å; L152-V185 HydrophobicContact CD2-CG1 3.95Å; L152-V185 HydrophobicContact CD2-CG2 4.23Å; L152-A188 HydrophobicContact CD2-CB 4.15Å; L152-K193 HydrophobicContact CD2-CG 4.49Å; L152-I196 HydrophobicContact CD1-CD1 3.92Å; L152-I196 HydrophobicContact CD1-CG1 3.86Å; L152-I196 HydrophobicContact CD1-CG2 4.13Å; L152-V209 WeakPolarHBondContact O-CG1 3.49Å
153Q83.6Confident82.6Confident50 Ų5053.7 Ų53.723%0.23429%0.289CS..EExtended strand (participates in β ladder)trans-151138.6-179.2-174.1-177.2-4.500109.3K155 D160 Q166 H184Q153-K155 HydrophobicContact CG-CG 4.35Å; Q153-D160 PolarHBondContact NE2-OD2 2.79Å; Q153-Q166 HydrophobicContact CB-CB 4.19Å; Q153-Q166 WeakPolarHBondContact O-CB 3.27Å; Q153-Q166 PolarHBondContact O-N 2.87Å; Q153-H184 PolarHBondContact OE1-CE1 3.43Å; Q153-H184 VanDerWaalsContact OE1-CE1 3.24Å
154V85.2Confident82.3Confident32 Ų3252.7 Ų52.719%0.19428%0.283CS..EExtended strand (participates in β ladder)trans-101.7119.3166.9-178.10000106.8V151 L204 Y207 V209V151-V154 HydrophobicContact CG1-CG2 3.91Å; V154-L204 HydrophobicContact CG1-CD2 3.47Å; V154-L204 VanDerWaalsContact CG1-CD2 3.47Å; V154-Y207 VanDerWaalsContact CG2-O 3.31Å; V154-Y207 WeakPolarHBondContact CG2-O 3.45Å; V154-V209 HydrophobicContact CG2-CG2 4.02Å
155K83.5Confident82.2Confident20 Ų2052.4 Ų52.49%0.08728%0.282CS..EExtended strand (participates in β ladder)trans-94.9124.7177.6-65.3-172.1163.21740108.8Q153 D160 Y162 E163 A164 E198Q153-K155 HydrophobicContact CG-CG 4.35Å; K155-D160 HydrophobicContact CB-CB 4.07Å; K155-D160 HydrophobicContact CD-CB 4.29Å; K155-D160 HydrophobicContact CG-CB 4.32Å; K155-D160 WeakPolarHBondContact CG-OD2 3.39Å; K155-Y162 CarbonylContact C-O 3.58Å; K155-Y162 HydrophobicContact CD-CE2 3.68Å; K155-Y162 WeakPolarHBondContact CD-OH 3.36Å; K155-Y162 PolarHBondContact NZ-OH 3.22Å; K155-E163 WeakPolarHBondContact O-CA 3.41Å; K155-A164 HydrophobicContact CB-CB 4.28Å; K155-A164 WeakPolarHBondContact CB-O 3.34Å; K155-A164 HydrophobicContact CD-CB 4.46Å; K155-A164 PolarHBondContact N-O 3.1Å; K155-A164 PolarHBondContact O-N 2.9Å; K155-A164 VanDerWaalsContact O-N 3.15Å; K155-E198 IonicContact NZ-OE1 2.72Å; K155-E198 PolarHBondContact NZ-OE1 2.88Å; K155-E198 IonicContact NZ-OE2 3.92Å
156T83.6Confident82.1Confident41 Ų4151.1 Ų51.125%0.25228%0.276SS..  trans-110.8157.2-179.960.30000110.2E158 N159 D160 Y162T156-E158 PolarHBondContact O-N 3.15Å; T156-N159 PolarHBondContact O-N 2.74Å; T156-N159 PolarHBondContact OG1-ND2 2.86Å; T156-D160 PolarHBondContact O-N 3.43Å; T156-Y162 CarbonylContact C-O 3.55Å
157M81.3Confident82.3Confident133 Ų13351.4 Ų51.466%0.65528%0.275SS*.Hα-helixtrans-58.2-36.2179.2-173.2174-98.600112.5G161M157-G161 WeakPolarHBondContact O-CA 3.45Å; M157-G161 PolarHBondContact O-N 3.05Å
158E82.4Confident82.4Confident186 Ų18648.8 Ų48.887%0.86926%0.259SS*.Hα-helixtrans-68.7-37.5-179-62.2-179.816900113.6T156T156-E158 PolarHBondContact O-N 3.15Å
159N80.7Confident82.5Confident133 Ų13349.3 Ų49.371%0.71126%0.256SS*.Hα-helixtrans-92.2-44.6-174.6-71.5-38.8000113.2T156T156-N159 PolarHBondContact O-N 2.74Å; T156-N159 PolarHBondContact OG1-ND2 2.86Å
160D83.4Confident82.3Confident59 Ų5951.3 Ų51.332%0.31627%0.265SS..Hα-helixtrans-113.5-10-169.3-70.3-88.5000113.3Q153 K155 T156 Y162Q153-D160 PolarHBondContact NE2-OD2 2.79Å; K155-D160 HydrophobicContact CB-CB 4.07Å; K155-D160 HydrophobicContact CD-CB 4.29Å; K155-D160 HydrophobicContact CG-CB 4.32Å; K155-D160 WeakPolarHBondContact CG-OD2 3.39Å; T156-D160 PolarHBondContact O-N 3.43Å; D160-Y162 VanDerWaalsContact C-N 3.31Å; D160-Y162 HydrophobicContact CB-CD1 4.43Å; D160-Y162 HydrophobicContact CB-CE1 4.21Å; D160-Y162 VanDerWaalsContact O-CD1 3.32Å; D160-Y162 WeakPolarHBondContact O-CD1 3.16Å
161G83.3Confident82.3Confident57 Ų5755.4 Ų55.459%0.58829%0.287SS*.SBendtrans79.75.5-177.500000115M157M157-G161 WeakPolarHBondContact O-CA 3.45Å; M157-G161 PolarHBondContact O-N 3.05Å
162Y83.7Confident82.2Confident75 Ų7557.9 Ų57.929%0.29430%0.299SS..SBendtrans-159160.3173.262.1-81000111.4K155 T156 D160 A164K155-Y162 CarbonylContact C-O 3.58Å; K155-Y162 HydrophobicContact CD-CE2 3.68Å; K155-Y162 WeakPolarHBondContact CD-OH 3.36Å; K155-Y162 PolarHBondContact NZ-OH 3.22Å; T156-Y162 CarbonylContact C-O 3.55Å; D160-Y162 VanDerWaalsContact C-N 3.31Å; D160-Y162 HydrophobicContact CB-CD1 4.43Å; D160-Y162 HydrophobicContact CB-CE1 4.21Å; D160-Y162 VanDerWaalsContact O-CD1 3.32Å; D160-Y162 WeakPolarHBondContact O-CD1 3.16Å; Y162-A164 HydrophobicContact CD2-CB 3.94Å; Y162-A164 HydrophobicContact CE2-CB 3.81Å
163E81.8Confident82.2Confident99 Ų9966.9 Ų66.946%0.46333%0.332SS..  trans-96123.5-179.9-59.2-175.316400111K155 L204K155-E163 WeakPolarHBondContact O-CA 3.41Å; E163-L204 HydrophobicContact CB-CD1 4.07Å; E163-L204 HydrophobicContact CG-CD1 3.84Å
164A79.1Confident82Confident0 Ų070.2 Ų70.20%035%0.348CS..EExtended strand (participates in β ladder)trans-160.4148.4175.300000112.5K155 Y162 F199 K200K155-A164 HydrophobicContact CB-CB 4.28Å; K155-A164 WeakPolarHBondContact CB-O 3.34Å; K155-A164 HydrophobicContact CD-CB 4.46Å; K155-A164 PolarHBondContact N-O 3.1Å; K155-A164 PolarHBondContact O-N 2.9Å; K155-A164 VanDerWaalsContact O-N 3.15Å; Y162-A164 HydrophobicContact CD2-CB 3.94Å; Y162-A164 HydrophobicContact CE2-CB 3.81Å; A164-F199 CarbonylContact C-O 3.57Å; A164-F199 WeakPolarHBondContact CA-O 3.48Å; A164-F199 WeakPolarHBondContact CB-O 3.49Å; A164-K200 HydrophobicContact CB-CG 4.25Å
165V81.9Confident81.9Confident4 Ų474.2 Ų74.22%0.02437%0.372CS..EExtended strand (participates in β ladder)trans-101.8128169.1-176.80000109.1V151 L167 E198 F199 V202 L204 Y207V151-V165 HydrophobicContact CG1-CG1 3.84Å; V151-V165 HydrophobicContact CG2-CG1 4.08Å; V165-L167 HydrophobicContact CG1-CD2 4.15Å; V165-L167 HydrophobicContact CG1-CG 4.34Å; V165-E198 WeakPolarHBondContact O-CA 3.49Å; V165-F199 PolarHBondContact N-O 2.83Å; V165-F199 PolarHBondContact O-N 3.09Å; V165-V202 HydrophobicContact CG2-CB 4.26Å; V165-V202 HydrophobicContact CG2-CG1 4.3Å; V165-L204 HydrophobicContact CG2-CD2 4.46Å; V165-Y207 HydrophobicContact CG2-CD2 4.31Å; V165-Y207 HydrophobicContact CG2-CG 4.44Å
166Q79.7Confident81.9Confident19 Ų1979.5 Ų79.59%0.08940%0.401CS..EExtended strand (participates in β ladder)trans-96.8117174.9-168.9-17759.800110.3L152 Q153 H184 I196 E198L152-Q166 PolarHBondContact N-O 3.22Å; Q153-Q166 HydrophobicContact CB-CB 4.19Å; Q153-Q166 WeakPolarHBondContact O-CB 3.27Å; Q153-Q166 PolarHBondContact O-N 2.87Å; Q166-H184 PolarHBondContact OE1-NE2 3.06Å; Q166-I196 HydrophobicContact CG-CG2 3.34Å; Q166-I196 VanDerWaalsContact NE2-CG2 3.33Å; Q166-E198 HydrophobicContact CB-CG 4.35Å; Q166-E198 HydrophobicContact CG-CG 4.11Å
167L84.2Confident81.8Confident24 Ų2478.4 Ų78.413%0.12640%0.395CS..EExtended strand (participates in β ladder)trans-105.7137.2179.1-66.5179.2000111.3N149 I150 V151 V165 I196 R197 F199 V213N149-L167 HydrophobicContact CB-CB 4.45Å; N149-L167 HydrophobicContact CB-CD1 4.5Å; N149-L167 HydrophobicContact CB-CD2 4.46Å; I150-L167 WeakPolarHBondContact O-CA 3.31Å; V151-L167 HydrophobicContact CB-CD2 4.35Å; V151-L167 HydrophobicContact CG2-CD2 3.64Å; V165-L167 HydrophobicContact CG1-CD2 4.15Å; V165-L167 HydrophobicContact CG1-CG 4.34Å; L167-I196 WeakPolarHBondContact O-CA 3.48Å; L167-R197 PolarHBondContact N-O 2.89Å; L167-R197 PolarHBondContact O-N 3.5Å; L167-F199 HydrophobicContact CB-CD2 4.45Å; L167-F199 HydrophobicContact CB-CE2 4.21Å; L167-F199 HydrophobicContact CD1-CD2 3.79Å; L167-F199 HydrophobicContact CD1-CE2 3.63Å; L167-F199 HydrophobicContact CD1-CZ 4.41Å; L167-F199 HydrophobicContact CG-CD2 4.18Å; L167-F199 HydrophobicContact CG-CE2 4.24Å; L167-V213 HydrophobicContact CD2-CG2 3.9Å
168G81.3Confident82Confident0 Ų076.8 Ų76.80%039%0.389CS..EExtended strand (participates in β ladder)trans-105.7131173.400000112.1I150 F195I150-G168 PolarHBondContact N-O 2.91Å; I150-G168 VanDerWaalsContact N-O 3.12Å; I150-G168 PolarHBondContact O-N 2.9Å; G168-F195 WeakPolarHBondContact CA-O 3.47Å
169Y81.7Confident82.2Confident47 Ų4777.1 Ų77.118%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-123.2139.6177.8177.1-100.8000111.2N149 R194 F195 L315N149-Y169 WeakPolarHBondContact OD1-CB 3.39Å; N149-Y169 VanDerWaalsContact OD1-CD2 3.28Å; N149-Y169 WeakPolarHBondContact OD1-CD2 3.44Å; Y169-R194 PolarHBondContact O-N 2.76Å; Y169-F195 HydrophobicContact CD1-CB 4.47Å; Y169-F195 AromaticContact CD1-CD2 3.87Å; Y169-F195 HydrophobicContact CD1-CD2 3.87Å; Y169-F195 HydrophobicContact CE1-CD2 4.46Å; Y169-F195 PolarHBondContact N-O 3.46Å; Y169-F195 PolarHBondContact O-N 3.24Å; Y169-L315 HydrophobicContact CD1-CD1 3.49Å; Y169-L315 VanDerWaalsContact CD1-CD1 3.49Å; Y169-L315 HydrophobicContact CE1-CD1 3.79Å; Y169-L315 HydrophobicContact CG-CD1 4.35Å
170Q79.7Confident82.4Confident82 Ų8275.4 Ų75.438%0.38338%0.384SS..EExtended strand (participates in β ladder)trans63129.1179.5-177.3176.58.100115K193 R194 F195Q170-K193 CarbonylContact O-C 3.56Å; Q170-K193 VanDerWaalsContact O-CA 3.26Å; Q170-K193 WeakPolarHBondContact O-CA 3.47Å; Q170-R194 HydrophobicContact CB-CB 4.31Å; Q170-R194 HydrophobicContact CG-CB 4.35Å; Q170-R194 PolarHBondContact O-N 3Å; Q170-F195 HydrophobicContact CB-CD2 4.42Å
171D83.3Confident82.4Confident100 Ų10074.1 Ų74.154%0.53538%0.381SS..EExtended strand (participates in β ladder)trans-70.5140173.9-65.8-40.2000112.7K193D171-K193 WeakPolarHBondContact OD1-CD 3.37Å; D171-K193 WeakPolarHBondContact OD1-CE 3.11Å; D171-K193 IonicContact OD1-NZ 2.63Å; D171-K193 PolarHBondContact OD1-NZ 3.13Å
172M81Confident82.4Confident52 Ų5275.2 Ų75.226%0.25637%0.369SS..  trans-118.4136.5173.6-177.8-178.5-76.700108.7E174 L176 P192 R194M172-E174 PolarHBondContact O-N 3.34Å; M172-L176 HydrophobicContact CG-CB 3.89Å; M172-L176 HydrophobicContact CG-CD1 4.35Å; M172-L176 HydrophobicContact SD-CB 3.88Å; M172-P192 WeakPolarHBondContact CA-O 3.26Å; M172-P192 WeakPolarHBondContact CB-O 3.41Å; M172-P192 PolarHBondContact N-O 3.44Å; M172-R194 HydrophobicContact CB-CB 4.37Å; M172-R194 HydrophobicContact CE-CB 3.91Å; M172-R194 HydrophobicContact CE-CG 3.72Å
173R81.5Confident82.4Confident191 Ų19173.7 Ų73.772%0.72138%0.377SS*.  trans-58.6135.1174.6-170.3175.6-176.4179.71.6110.4V175 L176R173-V175 PolarHBondContact O-N 2.94Å; R173-V175 VanDerWaalsContact O-N 3.07Å; R173-L176 HydrophobicContact CB-CD1 4.39Å; R173-L176 HydrophobicContact CB-CG 4.48Å; R173-L176 WeakPolarHBondContact O-CB 3.45Å; R173-L176 PolarHBondContact O-N 2.86Å
174E79.3Confident82.4Confident121 Ų12171.2 Ų71.257%0.56537%0.365SS*.G310 helixtrans-55.8-31.7-175.7-65.7-174.9-177.100114.8M172 L176 S177 K182 P192M172-E174 PolarHBondContact O-N 3.34Å; E174-L176 PolarHBondContact O-N 2.62Å; E174-S177 PolarHBondContact O-N 2.67Å; E174-K182 WeakPolarHBondContact O-CE 3.44Å; E174-K182 PolarHBondContact O-NZ 2.9Å; E174-P192 HydrophobicContact CG-CG 4.23Å
175V83.9Confident82.6Confident116 Ų11671.4 Ų71.470%0.70337%0.366SS*.G310 helixtrans-64.2-26.9178.9-178.40000112R173R173-V175 PolarHBondContact O-N 2.94Å; R173-V175 VanDerWaalsContact O-N 3.07Å
176L84Confident82.5Confident131 Ų13173.9 Ų73.969%0.68639%0.387SS*.G310 helixtrans-86.4-10.3179.7-58.4177.2000112.8M172 R173 E174M172-L176 HydrophobicContact CG-CB 3.89Å; M172-L176 HydrophobicContact CG-CD1 4.35Å; M172-L176 HydrophobicContact SD-CB 3.88Å; R173-L176 HydrophobicContact CB-CD1 4.39Å; R173-L176 HydrophobicContact CB-CG 4.48Å; R173-L176 WeakPolarHBondContact O-CB 3.45Å; R173-L176 PolarHBondContact O-N 2.86Å; E174-L176 PolarHBondContact O-N 2.62Å
177S80.9Confident82.5Confident18 Ų1880.9 Ų80.913%0.12642%0.418CS..SBendtrans-93.4137.4-178.1-173.70000111.5E174 K182E174-S177 PolarHBondContact O-N 2.67Å; S177-K182 WeakPolarHBondContact O-CE 3.47Å
178N86.2Confident82.2Confident99 Ų9980 Ų8053%0.52941%0.414SS..  trans-76.2159.6175.366.84.8000111.2A181 K182N178-A181 PolarHBondContact O-N 3.29Å; N178-A181 WeakPolarHBondContact OD1-CB 3.24Å; N178-A181 PolarHBondContact OD1-N 2.82Å; N178-K182 WeakPolarHBondContact O-CG 3.43Å; N178-K182 PolarHBondContact O-N 3.05Å
179K85.3Confident81.9Confident193 Ų19387.4 Ų87.484%0.83945%0.453SS*.Hα-helixtrans-54.9-42.6-178.9-66-176.3178.1-177.30113.4K182 G183K179-K182 PolarHBondContact O-N 3.03Å; K179-G183 PolarHBondContact O-N 3.37Å
180P86.3Confident81.6Confident97 Ų9786.8 Ų86.863%0.6346%0.455SS*.Hα-helixtrans-64.9-42.4177.9-23.935.6000114K182 G183 H184P180-K182 VanDerWaalsContact C-N 3.31Å; P180-K182 PolarHBondContact O-N 2.93Å; P180-G183 PolarHBondContact O-N 2.81Å; P180-H184 WeakPolarHBondContact O-CB 3.42Å; P180-H184 PolarHBondContact O-N 3.01Å
181A82.4Confident81.6Confident31 Ų3185 Ų8526%0.25645%0.454SS..Hα-helixtrans-66.6-35177.600000111.5N178 H184 V185N178-A181 PolarHBondContact O-N 3.29Å; N178-A181 WeakPolarHBondContact OD1-CB 3.24Å; N178-A181 PolarHBondContact OD1-N 2.82Å; A181-H184 PolarHBondContact O-N 3.45Å; A181-V185 VanDerWaalsContact O-CG2 3.25Å; A181-V185 WeakPolarHBondContact O-CG2 3.31Å; A181-V185 PolarHBondContact O-N 2.63Å
182K83.4Confident81.4Confident80 Ų8080.7 Ų80.735%0.34843%0.431SS..Hα-helixtrans-60.4-48.7171.2-69.8-173.3-176.8-1680111.9E174 S177 N178 K179 P180 H184 V185 A186 P192E174-K182 WeakPolarHBondContact O-CE 3.44Å; E174-K182 PolarHBondContact O-NZ 2.9Å; S177-K182 WeakPolarHBondContact O-CE 3.47Å; N178-K182 WeakPolarHBondContact O-CG 3.43Å; N178-K182 PolarHBondContact O-N 3.05Å; K179-K182 PolarHBondContact O-N 3.03Å; P180-K182 VanDerWaalsContact C-N 3.31Å; P180-K182 PolarHBondContact O-N 2.93Å; K182-H184 VanDerWaalsContact C-N 3.28Å; K182-H184 PolarHBondContact O-N 3.17Å; K182-V185 PolarHBondContact O-N 2.82Å; K182-A186 VanDerWaalsContact O-CB 3.24Å; K182-A186 WeakPolarHBondContact O-CB 3.4Å; K182-A186 PolarHBondContact O-N 2.96Å; K182-P192 HydrophobicContact CG-CG 4.42Å
183G82.7Confident81.4Confident44 Ų4479.5 Ų79.545%0.45442%0.424SS..Hα-helixtrans-61.9-36.2177.500000112.9K179 P180K179-G183 PolarHBondContact O-N 3.37Å; P180-G183 PolarHBondContact O-N 2.81Å
184H81.8Confident81.4Confident47 Ų4777.2 Ų77.222%0.21842%0.416CS..Hα-helixtrans-65.2-47.4177.1-168.665.7000112.6Q153 Q166 P180 A181 K182 K187Q153-H184 PolarHBondContact OE1-CE1 3.43Å; Q153-H184 VanDerWaalsContact OE1-CE1 3.24Å; Q166-H184 PolarHBondContact OE1-NE2 3.06Å; P180-H184 WeakPolarHBondContact O-CB 3.42Å; P180-H184 PolarHBondContact O-N 3.01Å; A181-H184 PolarHBondContact O-N 3.45Å; K182-H184 VanDerWaalsContact C-N 3.28Å; K182-H184 PolarHBondContact O-N 3.17Å; H184-K187 PolarHBondContact O-N 3.36Å
185V83.6Confident81.6Confident3 Ų374.7 Ų74.72%0.01840%0.403CS..Hα-helixtrans-76.1-27-178.9-176.30000111.7L152 A181 K182 K187 A188 N189 T190 A191L152-V185 HydrophobicContact CD1-CG2 4.39Å; L152-V185 HydrophobicContact CD2-CB 4.47Å; L152-V185 HydrophobicContact CD2-CG1 3.95Å; L152-V185 HydrophobicContact CD2-CG2 4.23Å; A181-V185 VanDerWaalsContact O-CG2 3.25Å; A181-V185 WeakPolarHBondContact O-CG2 3.31Å; A181-V185 PolarHBondContact O-N 2.63Å; K182-V185 PolarHBondContact O-N 2.82Å; V185-K187 PolarHBondContact O-N 3.12Å; V185-A188 CarbonylContact O-C 3.55Å; V185-A188 PolarHBondContact O-N 2.83Å; V185-N189 PolarHBondContact O-N 3.34Å; V185-T190 WeakPolarHBondContact CG1-O 3.48Å; V185-T190 WeakPolarHBondContact CG1-OG1 3.19Å; V185-T190 PolarHBondContact O-N 3.29Å; V185-A191 WeakPolarHBondContact CG1-O 3.3Å
186A81Confident81.6Confident57 Ų5772.2 Ų72.247%0.47139%0.386SS..Hα-helixtrans-60.2-31.217400000112.8K182 A188 N189K182-A186 VanDerWaalsContact O-CB 3.24Å; K182-A186 WeakPolarHBondContact O-CB 3.4Å; K182-A186 PolarHBondContact O-N 2.96Å; A186-A188 PolarHBondContact O-N 3.09Å; A186-N189 PolarHBondContact O-N 2.82Å; A186-N189 PolarHBondContact O-OD1 2.9Å
187K79.6Confident81.5Confident166 Ų16670.6 Ų70.672%0.72237%0.37SS*.THydrogen-bonded Turntrans-59.8-29.7173.4-68.5-176.7176.5-176.70112.9H184 V185H184-K187 PolarHBondContact O-N 3.36Å; V185-K187 PolarHBondContact O-N 3.12Å
188A77.3Confident81.6Confident5 Ų573.6 Ų73.64%0.04138%0.382CS..THydrogen-bonded Turntrans-97.77.9176.600000113L152 V185 A186 T190 V209L152-A188 HydrophobicContact CD2-CB 4.15Å; V185-A188 CarbonylContact O-C 3.55Å; V185-A188 PolarHBondContact O-N 2.83Å; A186-A188 PolarHBondContact O-N 3.09Å; A188-T190 WeakPolarHBondContact O-CG2 3.38Å; A188-T190 PolarHBondContact O-N 3.47Å; A188-V209 HydrophobicContact CB-CG1 3.66Å
189N75.3Confident81.3Confident155 Ų15570.6 Ų70.683%0.82937%0.365SS*.THydrogen-bonded Turntrans52.734-178-68.1-41.9000114.9V185 A186V185-N189 PolarHBondContact O-N 3.34Å; A186-N189 PolarHBondContact O-N 2.82Å; A186-N189 PolarHBondContact O-OD1 2.9Å
190T75Confident80.6Confident35 Ų3566.8 Ų66.822%0.21535%0.348CS..  trans-120.1164.2-175.357.40000114.1I150 V185 A188I150-T190 HydrophobicContact CD1-CG2 3.87Å; I150-T190 HydrophobicContact CG1-CG2 4.46Å; I150-T190 HydrophobicContact CG2-CG2 3.65Å; V185-T190 WeakPolarHBondContact CG1-O 3.48Å; V185-T190 WeakPolarHBondContact CG1-OG1 3.19Å; V185-T190 PolarHBondContact O-N 3.29Å; A188-T190 WeakPolarHBondContact O-CG2 3.38Å; A188-T190 PolarHBondContact O-N 3.47Å
191A79.4Confident79.4Confident45 Ų4569.5 Ų69.537%0.37236%0.357SS..PPolyproline II helixtrans-67.4145.3173.800000110.5V185 K193V185-A191 WeakPolarHBondContact CG1-O 3.3Å; A191-K193 WeakPolarHBondContact O-CD 3.41Å; A191-K193 WeakPolarHBondContact O-CE 3.15Å; A191-K193 PolarHBondContact O-N 2.91Å
192P79.9Confident78.4Confident9 Ų970 Ų706%0.05836%0.357CS..PPolyproline II helixtrans-51.5128.2178.9-27.435.4000111.7M172 E174 K182M172-P192 WeakPolarHBondContact CA-O 3.26Å; M172-P192 WeakPolarHBondContact CB-O 3.41Å; M172-P192 PolarHBondContact N-O 3.44Å; E174-P192 HydrophobicContact CG-CG 4.23Å; K182-P192 HydrophobicContact CG-CG 4.42Å
193K81.4Confident77.3Confident26 Ų2673.9 Ų73.911%0.11338%0.376CS..EExtended strand (participates in β ladder)trans-96.5143.1-177.7-56-63.4-178.4179.70111.6L152 Q170 D171 A191L152-K193 HydrophobicContact CD2-CG 4.49Å; Q170-K193 CarbonylContact O-C 3.56Å; Q170-K193 VanDerWaalsContact O-CA 3.26Å; Q170-K193 WeakPolarHBondContact O-CA 3.47Å; D171-K193 WeakPolarHBondContact OD1-CD 3.37Å; D171-K193 WeakPolarHBondContact OD1-CE 3.11Å; D171-K193 IonicContact OD1-NZ 2.63Å; D171-K193 PolarHBondContact OD1-NZ 3.13Å; A191-K193 WeakPolarHBondContact O-CD 3.41Å; A191-K193 WeakPolarHBondContact O-CE 3.15Å; A191-K193 PolarHBondContact O-N 2.91Å
194R81.8Confident76Confident143 Ų14373.9 Ų73.954%0.5437%0.366SS..EExtended strand (participates in β ladder)trans-76.4-34.8-178.6-177171.7-172.9167.75.4112.9Y169 Q170 M172Y169-R194 PolarHBondContact O-N 2.76Å; Q170-R194 HydrophobicContact CB-CB 4.31Å; Q170-R194 HydrophobicContact CG-CB 4.35Å; Q170-R194 PolarHBondContact O-N 3Å; M172-R194 HydrophobicContact CB-CB 4.37Å; M172-R194 HydrophobicContact CE-CB 3.91Å; M172-R194 HydrophobicContact CE-CG 3.72Å
195F82.3Confident74.8Confident68 Ų6875.4 Ų75.430%0.29839%0.394SS..EExtended strand (participates in β ladder)trans-125.5124.5-178.7-59.8-74.7000109.4G168 Y169 Q170 L315G168-F195 WeakPolarHBondContact CA-O 3.47Å; Y169-F195 HydrophobicContact CD1-CB 4.47Å; Y169-F195 AromaticContact CD1-CD2 3.87Å; Y169-F195 HydrophobicContact CD1-CD2 3.87Å; Y169-F195 HydrophobicContact CE1-CD2 4.46Å; Y169-F195 PolarHBondContact N-O 3.46Å; Y169-F195 PolarHBondContact O-N 3.24Å; Q170-F195 HydrophobicContact CB-CD2 4.42Å; F195-L315 HydrophobicContact CB-CD1 4.24Å; F195-L315 HydrophobicContact CB-CD2 4.41Å; F195-L315 HydrophobicContact CD1-CD2 4.2Å; F195-L315 HydrophobicContact CD2-CD1 3.95Å; F195-L315 HydrophobicContact CE2-CD1 4.4Å; F195-L315 HydrophobicContact CG-CD1 3.99Å; F195-L315 HydrophobicContact CG-CD2 4.3Å
196I83.7Confident73.8Confident65 Ų6579.9 Ų79.933%0.33342%0.418SS..EExtended strand (participates in β ladder)trans-117.3128.2176.4-58.3175.6000107.2L152 Q166 L167L152-I196 HydrophobicContact CD1-CD1 3.92Å; L152-I196 HydrophobicContact CD1-CG1 3.86Å; L152-I196 HydrophobicContact CD1-CG2 4.13Å; Q166-I196 HydrophobicContact CG-CG2 3.34Å; Q166-I196 VanDerWaalsContact NE2-CG2 3.33Å; L167-I196 WeakPolarHBondContact O-CA 3.48Å
197R82.9Confident73.1Confident97 Ų9779.8 Ų79.837%0.36641%0.406SS..EExtended strand (participates in β ladder)trans-133.5141.7-179.8-70.3-63.3-172.7179.7-2.2110.4L167 F199L167-R197 PolarHBondContact N-O 2.89Å; L167-R197 PolarHBondContact O-N 3.5Å; R197-F199 HydrophobicContact CB-CE2 4.14Å
198E82.6Confident72.8Confident80 Ų8079.2 Ų79.237%0.37441%0.406SS..EExtended strand (participates in β ladder)trans-102.9135.3175.9-64.3177.3174.400109.8K155 V165 Q166K155-E198 IonicContact NZ-OE1 2.72Å; K155-E198 PolarHBondContact NZ-OE1 2.88Å; K155-E198 IonicContact NZ-OE2 3.92Å; V165-E198 WeakPolarHBondContact O-CA 3.49Å; Q166-E198 HydrophobicContact CB-CG 4.35Å; Q166-E198 HydrophobicContact CG-CG 4.11Å
199F79Confident72.9Confident37 Ų3782.4 Ų82.416%0.16242%0.424CS..EExtended strand (participates in β ladder)trans-113.7117.6172-67.1-99.1000107.8A164 V165 L167 R197 V202 T317 K319A164-F199 CarbonylContact C-O 3.57Å; A164-F199 WeakPolarHBondContact CA-O 3.48Å; A164-F199 WeakPolarHBondContact CB-O 3.49Å; V165-F199 PolarHBondContact N-O 2.83Å; V165-F199 PolarHBondContact O-N 3.09Å; L167-F199 HydrophobicContact CB-CD2 4.45Å; L167-F199 HydrophobicContact CB-CE2 4.21Å; L167-F199 HydrophobicContact CD1-CD2 3.79Å; L167-F199 HydrophobicContact CD1-CE2 3.63Å; L167-F199 HydrophobicContact CD1-CZ 4.41Å; L167-F199 HydrophobicContact CG-CD2 4.18Å; L167-F199 HydrophobicContact CG-CE2 4.24Å; R197-F199 HydrophobicContact CB-CE2 4.14Å; F199-V202 HydrophobicContact CB-CG2 4.05Å; F199-T317 HydrophobicContact CE1-CG2 3.41Å; F199-T317 VanDerWaalsContact CE1-CG2 3.41Å; F199-T317 HydrophobicContact CZ-CG2 3.51Å; F199-K319 HydrophobicContact CD1-CG 4.2Å; F199-K319 HydrophobicContact CE1-CG 4.02Å
200K71Confident73Confident113 Ų11376.6 Ų76.649%0.49140%0.401SS..EExtended strand (participates in β ladder)trans-88.4160.2171.8-58.3-173.9175.3-164.50109.1A164A164-K200 HydrophobicContact CB-CG 4.25Å
201D62.4Low73Confident154 Ų15479.7 Ų79.782%0.82441%0.412SS*.SBendtrans66.143.8174.7-40.1-49.9000113.1
202V60.8Low72.9Confident42 Ų4282.6 Ų82.626%0.25542%0.417SS..  trans-115.2136.2175.3-1770000108.3V165 F199 L204 Y207V165-V202 HydrophobicContact CG2-CB 4.26Å; V165-V202 HydrophobicContact CG2-CG1 4.3Å; F199-V202 HydrophobicContact CB-CG2 4.05Å; V202-L204 PolarHBondContact O-N 3Å; V202-L204 VanDerWaalsContact O-N 3.09Å; V202-Y207 HydrophobicContact CG1-CD2 3.85Å; V202-Y207 HydrophobicContact CG1-CE2 3.42Å; V202-Y207 VanDerWaalsContact CG1-CE2 3.42Å
203E59.2Low72.8Confident160 Ų16083.3 Ų83.375%0.74842%0.422SS*.  trans-60.8111.7172.7-66.9-178.9-175.900109.5G205E203-G205 PolarHBondContact O-N 3.4Å
204L55.9Low72.7Confident44 Ų4487 Ų8723%0.2344%0.438CS..G310 helixtrans-65.1-24-172-66.7162.3000112.8V154 E163 V165 V202 D206 Y207V154-L204 HydrophobicContact CG1-CD2 3.47Å; V154-L204 VanDerWaalsContact CG1-CD2 3.47Å; E163-L204 HydrophobicContact CB-CD1 4.07Å; E163-L204 HydrophobicContact CG-CD1 3.84Å; V165-L204 HydrophobicContact CG2-CD2 4.46Å; V202-L204 PolarHBondContact O-N 3Å; V202-L204 VanDerWaalsContact O-N 3.09Å; L204-D206 PolarHBondContact O-N 3.49Å; L204-D206 VanDerWaalsContact O-N 3.15Å; L204-Y207 PolarHBondContact O-N 3.09Å
205G56.8Low72.3Confident79 Ų7980.2 Ų80.281%0.81441%0.412SS*.G310 helixtrans-60.4-25.4-172.700000114.8E203E203-G205 PolarHBondContact O-N 3.4Å
206D62.4Low71.9Confident98 Ų9881.8 Ų81.852%0.52442%0.424SS..G310 helixtrans-90.6-7.9-174.9-71.1-26.4000114.4L204 K211L204-D206 PolarHBondContact O-N 3.49Å; L204-D206 VanDerWaalsContact O-N 3.15Å; D206-K211 PolarHBondContact O-NZ 3.07Å
207Y67.5Low71.3Confident54 Ų5482.8 Ų82.821%0.21243%0.433CS..  trans-124.2109.3-167.8-61-79000112.4V151 V154 V165 V202 L204 V213V151-Y207 HydrophobicContact CG2-CD1 4.18Å; V154-Y207 VanDerWaalsContact CG2-O 3.31Å; V154-Y207 WeakPolarHBondContact CG2-O 3.45Å; V165-Y207 HydrophobicContact CG2-CD2 4.31Å; V165-Y207 HydrophobicContact CG2-CG 4.44Å; V202-Y207 HydrophobicContact CG1-CD2 3.85Å; V202-Y207 HydrophobicContact CG1-CE2 3.42Å; V202-Y207 VanDerWaalsContact CG1-CE2 3.42Å; L204-Y207 PolarHBondContact O-N 3.09Å; Y207-V213 HydrophobicContact CD1-CG2 4.15Å; Y207-V213 HydrophobicContact CE1-CG2 3.87Å
208E73.3Confident71Confident155 Ų15580.3 Ų80.372%0.72443%0.425SS*.  trans-94.6151.1169.8-65.2-177.2166.700111.2V151 G210 K211V151-E208 WeakPolarHBondContact CB-O 3.36Å; E208-G210 PolarHBondContact O-N 2.77Å; E208-K211 VanDerWaalsContact O-CB 3.24Å; E208-K211 WeakPolarHBondContact O-CB 3.49Å; E208-K211 PolarHBondContact O-N 3.27Å; E208-K211 VanDerWaalsContact O-N 3.09Å
209V78.1Confident70.8Confident71 Ų7183.2 Ų83.243%0.4344%0.438SS..THydrogen-bonded Turntrans-61.9127.9175178.30000109.4L152 V154 A188L152-V209 WeakPolarHBondContact O-CG1 3.49Å; V154-V209 HydrophobicContact CG2-CG2 4.02Å; A188-V209 HydrophobicContact CB-CG1 3.66Å
210G77Confident70.9Confident33 Ų3384.7 Ų84.734%0.3446%0.458SS..THydrogen-bonded Turntrans94-10.2-175.400000114.8V151 E208V151-G210 PolarHBondContact O-N 2.71Å; E208-G210 PolarHBondContact O-N 2.77Å
211K75.1Confident71.5Confident101 Ų10181.4 Ų81.444%0.43946%0.456SS..  trans-66.7139.9176.2-171.6173.3177.1178.10111.4V151 D206 E208V151-K211 HydrophobicContact CG2-CB 4.46Å; V151-K211 PolarHBondContact N-O 2.73Å; D206-K211 PolarHBondContact O-NZ 3.07Å; E208-K211 VanDerWaalsContact O-CB 3.24Å; E208-K211 WeakPolarHBondContact O-CB 3.49Å; E208-K211 PolarHBondContact O-N 3.27Å; E208-K211 VanDerWaalsContact O-N 3.09Å
212E78.1Confident72.4Confident105 Ų10576.7 Ų76.749%0.49143%0.431SS..EExtended strand (participates in β ladder)trans-88.3129.3172.1-65.5-173.9166.900111N149 I150N149-E212 CarbonylContact O-C 3.6Å; N149-E212 WeakPolarHBondContact O-CA 3.43Å; I150-E212 HydrophobicContact CG1-CG 3.98Å
213V77.5Confident73.7Confident24 Ų2478.1 Ų78.115%0.14544%0.436CS..EExtended strand (participates in β ladder)trans-98109170.5-1760000107.9N149 V151 L167 Y207N149-V213 HydrophobicContact CB-CB 4.39Å; N149-V213 PolarHBondContact N-O 3.29Å; N149-V213 PolarHBondContact O-N 3.15Å; V151-V213 HydrophobicContact CG2-CG2 4.16Å; L167-V213 HydrophobicContact CD2-CG2 3.9Å; Y207-V213 HydrophobicContact CD1-CG2 4.15Å; Y207-V213 HydrophobicContact CE1-CG2 3.87Å
214K78.4Confident74.9Confident103 Ų10370.6 Ų70.645%0.44840%0.401SS..  trans-93.6175-179.7-65.9-174.8179.2-179.80111.7P148 D216 T217P148-K214 HydrophobicContact CB-CG 4.46Å; P148-K214 HydrophobicContact CG-CG 4.39Å; K214-D216 PolarHBondContact O-N 3.39Å; K214-T217 PolarHBondContact O-OG1 3.23Å
215V74.5Confident76.3Confident2 Ų268.8 Ų68.81%0.01239%0.391CS..G310 helixtrans-68.9-20.9178.5-167.20000112.4A146 T217 F218 V295 N300 I302A146-V215 HydrophobicContact CB-CG2 3.77Å; A146-V215 WeakPolarHBondContact O-CG2 3.4Å; V215-T217 PolarHBondContact O-N 2.8Å; V215-F218 PolarHBondContact O-N 2.81Å; V215-V295 HydrophobicContact CB-CG1 4.42Å; V215-V295 HydrophobicContact CG1-CG1 3.51Å; V215-N300 HydrophobicContact CG2-CB 3.86Å; V215-I302 HydrophobicContact CG1-CD1 3.81Å; V215-I302 HydrophobicContact CG1-CG1 3.32Å
216D73.6Confident77.8Confident101 Ų10165 Ų6554%0.5435%0.353SS..G310 helixtrans-60.1-12.9-178.8-52.9-42.9000114.5K214 F218 A297K214-D216 PolarHBondContact O-N 3.39Å; D216-F218 PolarHBondContact O-N 3.23Å; D216-A297 WeakPolarHBondContact OD1-CB 3.49Å
217T72.2Confident79Confident85 Ų8560.9 Ų60.952%0.52133%0.331SS..G310 helixtrans-67.4-19.2173.2-48.30000112.8K214 V215K214-T217 PolarHBondContact O-OG1 3.23Å; V215-T217 PolarHBondContact O-N 2.8Å
218F75.5Confident80Confident45 Ų4558.5 Ų58.520%0.19732%0.323CS..  trans-104.8141.2179.5-61.9-74.2000111.5V215 D216 I224 I292 V295 I302 I318V215-F218 PolarHBondContact O-N 2.81Å; D216-F218 PolarHBondContact O-N 3.23Å; F218-I224 HydrophobicContact CD1-CG2 4.2Å; F218-I224 HydrophobicContact CE1-CG2 4.1Å; F218-I292 HydrophobicContact CB-CD1 3.7Å; F218-I292 HydrophobicContact CD1-CD1 3.77Å; F218-I292 HydrophobicContact CG-CD1 3.89Å; F218-V295 HydrophobicContact CB-CG2 4.19Å; F218-I302 HydrophobicContact CD2-CD1 3.75Å; F218-I302 HydrophobicContact CE2-CD1 4.1Å; F218-I302 HydrophobicContact CG-CD1 4.44Å; F218-I318 HydrophobicContact CE1-CG2 3.75Å; F218-I318 HydrophobicContact CE2-CG2 4.42Å; F218-I318 HydrophobicContact CZ-CB 4.25Å; F218-I318 HydrophobicContact CZ-CG2 3.6Å
219Q79.4Confident80.7Confident141 Ų14154.5 Ų54.566%0.65931%0.309SS*.  trans-109.8158.4172.9-62.4-173.52.400111.2D222Q219-D222 PolarHBondContact N-OD2 3.43Å; Q219-D222 WeakPolarHBondContact O-CB 3.11Å; Q219-D222 PolarHBondContact O-N 2.92Å
220A80.7Confident81.3Confident69 Ų6952.9 Ų52.957%0.5730%0.299SS*.THydrogen-bonded Turntrans-67.3133.7170.700000109.5
221G83.5Confident81.8Confident43 Ų4357.4 Ų57.444%0.44331%0.31SS..THydrogen-bonded Turntrans97.1-11.8-173.800000114.4I292G221-I292 PolarHBondContact N-O 2.8Å
222D80.9Confident82.6Confident56 Ų5655.6 Ų55.630%0.29932%0.319SS..  trans-64.1140.7179.8-75-13.2000112.2Q219 I292Q219-D222 PolarHBondContact N-OD2 3.43Å; Q219-D222 WeakPolarHBondContact O-CB 3.11Å; Q219-D222 PolarHBondContact O-N 2.92Å; D222-I292 HydrophobicContact CB-CD1 4.14Å; D222-I292 HydrophobicContact CB-CG1 4.48Å; D222-I292 PolarHBondContact O-N 3.47Å
223I87.4Confident83.1Confident71 Ų7155.4 Ų55.436%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-95.6121.5175.4-52.8178.8000108.9N289 L290 A321I223-N289 HydrophobicContact CG2-CB 4.02Å; I223-L290 WeakPolarHBondContact CA-O 3.32Å; I223-A321 HydrophobicContact CB-CB 4.15Å; I223-A321 HydrophobicContact CG2-CB 3.67Å; I223-A321 WeakPolarHBondContact O-CB 3.49Å; I223-A321 PolarHBondContact O-N 3.45Å; I223-A321 VanDerWaalsContact O-N 3.13Å
224I84.9Confident83.8Confident2 Ų256.2 Ų56.21%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-126151.2-174.658.2164.7000113.2F218 V226 N289 L290 I292 V304 I318 K319F218-I224 HydrophobicContact CD1-CG2 4.2Å; F218-I224 HydrophobicContact CE1-CG2 4.1Å; I224-V226 HydrophobicContact CD1-CG2 3.67Å; I224-V226 HydrophobicContact CG1-CG2 4.05Å; I224-N289 PolarHBondContact O-N 2.95Å; I224-L290 HydrophobicContact CG1-CB 4.25Å; I224-L290 VanDerWaalsContact CG1-O 3.23Å; I224-L290 WeakPolarHBondContact CG1-O 3.32Å; I224-L290 PolarHBondContact N-O 3.24Å; I224-L290 PolarHBondContact O-N 3.25Å; I224-I292 HydrophobicContact CD1-CD1 3.99Å; I224-I292 HydrophobicContact CD1-CG1 3.7Å; I224-I292 HydrophobicContact CG1-CD1 4.42Å; I224-I292 HydrophobicContact CG1-CG1 4Å; I224-I292 HydrophobicContact CG2-CD1 3.82Å; I224-I292 HydrophobicContact CG2-CG1 4.19Å; I224-V304 HydrophobicContact CD1-CG1 4.2Å; I224-V304 HydrophobicContact CD1-CG2 3.78Å; I224-I318 HydrophobicContact CB-CG2 3.98Å; I224-I318 HydrophobicContact CD1-CG2 3.7Å; I224-I318 HydrophobicContact CG1-CG2 4.43Å; I224-I318 HydrophobicContact CG2-CG2 4.02Å; I224-K319 CarbonylContact C-O 3.51Å; I224-K319 WeakPolarHBondContact CA-O 3.34Å; I224-K319 WeakPolarHBondContact CB-O 3.39Å
225D85.6Confident84.6Confident6 Ų658.9 Ų58.93%0.03234%0.342CS..EExtended strand (participates in β ladder)trans-100.7123.3169.4-82.79.5000109.6T286 Q288 N289 K319D225-T286 HydrophobicContact CB-CG2 4.03Å; D225-Q288 WeakPolarHBondContact OD1-CA 2.94Å; D225-Q288 VanDerWaalsContact OD1-CB 3.31Å; D225-Q288 WeakPolarHBondContact OD1-CB 3.42Å; D225-Q288 PolarHBondContact OD2-NE2 3.41Å; D225-N289 PolarHBondContact OD1-N 2.7Å; D225-N289 VanDerWaalsContact OD1-N 3.08Å; D225-K319 PolarHBondContact N-O 2.96Å; D225-K319 PolarHBondContact O-N 3.46Å
226V88.3Confident85.5Confident0 Ų060.3 Ų60.30%035%0.348CS..EExtended strand (participates in β ladder)trans-112.3115.6-174.1-174.10000110.6I224 T286 I287 L290 V308 I316I224-V226 HydrophobicContact CD1-CG2 3.67Å; I224-V226 HydrophobicContact CG1-CG2 4.05Å; V226-T286 CarbonylContact O-C 3.58Å; V226-T286 WeakPolarHBondContact O-CA 3.14Å; V226-I287 PolarHBondContact N-O 2.73Å; V226-I287 PolarHBondContact O-N 3.5Å; V226-L290 HydrophobicContact CB-CD1 3.78Å; V226-L290 HydrophobicContact CG2-CB 4.42Å; V226-L290 HydrophobicContact CG2-CD1 3.6Å; V226-V308 HydrophobicContact CG1-CG1 3.74Å; V226-V308 HydrophobicContact CG1-CG2 4.32Å; V226-I316 HydrophobicContact CG1-CG2 3.13Å
227T86.7Confident86.3Confident11 Ų1156.7 Ų56.77%0.06734%0.335CS..EExtended strand (participates in β ladder)trans-108.3131.6-177.5-55.20000111.5R284 V285 T286 I316 T317T227-R284 HydrophobicContact CG2-CG 3.61Å; T227-R284 VanDerWaalsContact CG2-NE 3.32Å; T227-V285 WeakPolarHBondContact CA-O 3.24Å; T227-T286 WeakPolarHBondContact CG2-OG1 3.19Å; T227-T286 WeakPolarHBondContact OG1-CB 3.46Å; T227-T286 VanDerWaalsContact OG1-CG2 3.31Å; T227-T286 WeakPolarHBondContact OG1-CG2 3.41Å; T227-T286 PolarHBondContact OG1-OG1 3.16Å; T227-I316 CarbonylContact O-C 3.59Å; T227-I316 WeakPolarHBondContact O-CA 3.47Å; T227-T317 PolarHBondContact N-O 3.39Å; T227-T317 PolarHBondContact O-N 3.26Å
228G88.8Confident87.2Confident5 Ų552.9 Ų52.95%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-154.5168.2177.400000113.1R284 V285G228-R284 WeakPolarHBondContact O-CA 3.37Å; G228-V285 PolarHBondContact N-O 3.24Å; G228-V285 PolarHBondContact O-N 3.24Å
229T88.8Confident88Confident71 Ų7152.2 Ų52.244%0.43631%0.31SS..EExtended strand (participates in β ladder)trans-85.8117.8174.1-600000109.7G310T229-G310 WeakPolarHBondContact O-CA 3.27Å
230T89.6Confident88.6Confident36 Ų3650.6 Ų50.622%0.22130%0.301CS..PPolyproline II helixtrans-60.7152177.954.10000112.5G232 G282 N283 V285T230-G232 PolarHBondContact O-N 2.84Å; T230-G282 VanDerWaalsContact O-CA 3.31Å; T230-G282 WeakPolarHBondContact O-CA 3.48Å; T230-G282 PolarHBondContact O-N 3.4Å; T230-G282 VanDerWaalsContact O-N 3.1Å; T230-G282 PolarHBondContact OG1-N 3.2Å; T230-N283 PolarHBondContact N-O 3.38Å; T230-N283 PolarHBondContact OG1-N 2.99Å; T230-N283 PolarHBondContact OG1-O 3.28Å; T230-V285 HydrophobicContact CG2-CB 3.77Å; T230-V285 HydrophobicContact CG2-CG2 3.44Å; T230-V285 VanDerWaalsContact CG2-CG2 3.44Å
231K89.3Confident89.1Confident129 Ų12951.7 Ų51.756%0.56129%0.29SS*.PPolyproline II helixtrans-53.5126.1175.1-68.7-177.2178.1177.20110.5K233 G281 A311K231-K233 PolarHBondContact O-N 2.88Å; K231-G281 WeakPolarHBondContact O-CA 3.25Å; K231-A311 HydrophobicContact CG-CB 3.97Å
232G90.7Very high89.5Confident62 Ų6252.6 Ų52.664%0.63928%0.283SS*.PPolyproline II helixtrans-64.4128.1168.300000110T230T230-G232 PolarHBondContact O-N 2.84Å
233K89.5Confident89.8Confident102 Ų10253.1 Ų53.144%0.44330%0.302SS..  trans-109.14.5176.3-64.3179.6-179.9177.80112.2K231 Q236 M280K231-K233 PolarHBondContact O-N 2.88Å; K233-Q236 HydrophobicContact CB-CG 4.06Å; K233-Q236 PolarHBondContact O-NE2 3.15Å; K233-M280 HydrophobicContact CB-CB 4.28Å; K233-M280 HydrophobicContact CB-CG 4.48Å; K233-M280 HydrophobicContact CD-CE 4.25Å; K233-M280 HydrophobicContact CD-CG 4.27Å; K233-M280 HydrophobicContact CD-SD 3.73Å; K233-M280 PolarHBondContact N-O 2.86Å
234G92.4Very high89.9Confident40 Ų4052.4 Ų52.441%0.41230%0.297SS..  trans68.3-156.9-177.800000113.2Q236 R279 M280G234-Q236 PolarHBondContact O-N 2.72Å; G234-R279 WeakPolarHBondContact O-CA 3.4Å; G234-M280 PolarHBondContact O-N 2.8Å
235F94.1Very high90Very high159 Ų15957.8 Ų57.870%0.69733%0.334SS*.EExtended strand (participates in β ladder)trans-72.9120.9173.6-171.2-90.5000109.9A277F235-A277 HydrophobicContact CE1-CB 3.85Å; F235-A277 HydrophobicContact CZ-CB 3.7Å
236Q93.3Very high90.1Very high32 Ų3264.1 Ų64.115%0.1536%0.358CS..EExtended strand (participates in β ladder)trans-120139.3-178.5-68-61.2-11.300111.5K233 G234 K240 R241 A277 G278 M280K233-Q236 HydrophobicContact CB-CG 4.06Å; K233-Q236 PolarHBondContact O-NE2 3.15Å; G234-Q236 PolarHBondContact O-N 2.72Å; Q236-K240 HydrophobicContact CG-CD 4.47Å; Q236-R241 HydrophobicContact CB-CB 4.26Å; Q236-A277 VanDerWaalsContact O-CA 3.3Å; Q236-A277 WeakPolarHBondContact O-CA 3.4Å; Q236-A277 WeakPolarHBondContact O-CB 3.4Å; Q236-G278 PolarHBondContact N-O 2.88Å; Q236-G278 PolarHBondContact O-N 3.01Å; Q236-M280 HydrophobicContact CB-CB 3.98Å; Q236-M280 HydrophobicContact CB-SD 4.28Å; Q236-M280 HydrophobicContact CG-CB 3.78Å; Q236-M280 HydrophobicContact CG-SD 4.05Å
237G91.6Very high90Very high26 Ų2665 Ų6527%0.26837%0.368SS..  trans-64.8161.4173.800000112.5I239 K240 R241G237-I239 PolarHBondContact O-N 3.5Å; G237-I239 VanDerWaalsContact O-N 3.13Å; G237-K240 PolarHBondContact O-N 2.86Å; G237-K240 VanDerWaalsContact O-N 3.17Å; G237-R241 WeakPolarHBondContact O-CB 3.35Å; G237-R241 PolarHBondContact O-N 2.75Å
238V91Very high90.1Very high4 Ų469 Ų692%0.02439%0.393CS..Hα-helixtrans-54.3-35-175.8-680000114H242 Q244 P259 A277V238-H242 WeakPolarHBondContact O-CA 3.26Å; V238-H242 WeakPolarHBondContact O-CB 3.22Å; V238-H242 PolarHBondContact O-N 2.99Å; V238-Q244 HydrophobicContact CB-CB 4.48Å; V238-Q244 HydrophobicContact CB-CG 4.43Å; V238-Q244 HydrophobicContact CG2-CB 4.41Å; V238-P259 HydrophobicContact CG1-CB 4.33Å; V238-A277 HydrophobicContact CG1-CB 4.36Å; V238-A277 VanDerWaalsContact CG1-N 3.32Å
239I92.1Very high90.1Very high32 Ų3275 Ų7516%0.16442%0.422CS..Hα-helixtrans-63.4-55178.9-62172.4000110.4G237 G243 Q244 R246 R257G237-I239 PolarHBondContact O-N 3.5Å; G237-I239 VanDerWaalsContact O-N 3.13Å; I239-G243 VanDerWaalsContact O-CA 3.23Å; I239-G243 WeakPolarHBondContact O-CA 3.15Å; I239-G243 PolarHBondContact O-N 3.36Å; I239-Q244 WeakPolarHBondContact CG1-O 3.41Å; I239-Q244 WeakPolarHBondContact CG2-O 3.46Å; I239-R246 HydrophobicContact CD1-CB 3.88Å; I239-R257 HydrophobicContact CD1-CB 4.01Å; I239-R257 HydrophobicContact CD1-CG 3.92Å
240K90.7Very high90.1Very high107 Ų10775 Ų7547%0.46543%0.428SS..Hα-helixtrans-73.2-30.2-176.3-178.5163167.5-163.90112.7Q236 G237 M280Q236-K240 HydrophobicContact CG-CD 4.47Å; G237-K240 PolarHBondContact O-N 2.86Å; G237-K240 VanDerWaalsContact O-N 3.17Å; K240-M280 HydrophobicContact CG-SD 4.46Å
241R92.2Very high89.8Confident91 Ų9182.9 Ų82.934%0.34346%0.463SS..Hα-helixtrans-81.3-40.7-178.7-171.5-178.8-177.3-156.83.9113.1Q236 G237 L276 A277 M280Q236-R241 HydrophobicContact CB-CB 4.26Å; G237-R241 WeakPolarHBondContact O-CB 3.35Å; G237-R241 PolarHBondContact O-N 2.75Å; R241-L276 PolarHBondContact NH1-O 2.94Å; R241-A277 PolarHBondContact NH1-O 3.37Å; R241-M280 HydrophobicContact CG-CB 4.43Å; R241-M280 HydrophobicContact CG-CG 4.49Å
242H91.3Very high89.5Confident62 Ų6280.6 Ų80.629%0.28748%0.475SS..Hα-helixtrans-125.74.5-168.4-63.9-59.1000114.3V238 Q244 K275 L276V238-H242 WeakPolarHBondContact O-CA 3.26Å; V238-H242 WeakPolarHBondContact O-CB 3.22Å; V238-H242 PolarHBondContact O-N 2.99Å; H242-Q244 HydrophobicContact CB-CG 4.45Å; H242-Q244 PolarHBondContact O-N 3.28Å; H242-K275 HydrophobicContact CB-CB 4.12Å; H242-K275 HydrophobicContact CB-CD 4.16Å; H242-L276 PolarHBondContact CD2-O 2.95Å; H242-L276 PolarHBondContact NE2-O 3.41Å; H242-L276 VanDerWaalsContact NE2-O 3.09Å
243G88.3Confident89.1Confident68 Ų6879.1 Ų79.170%0.70146%0.455SS*.  trans69.318.8178.700000114.3I239I239-G243 VanDerWaalsContact O-CA 3.23Å; I239-G243 WeakPolarHBondContact O-CA 3.15Å; I239-G243 PolarHBondContact O-N 3.36Å
244Q89.6Confident88.7Confident56 Ų5683.9 Ų83.926%0.26247%0.47SS..PPolyproline II helixtrans-64148.7176.1-69.2-178.614.300110.8V238 I239 H242 K275V238-Q244 HydrophobicContact CB-CB 4.48Å; V238-Q244 HydrophobicContact CB-CG 4.43Å; V238-Q244 HydrophobicContact CG2-CB 4.41Å; I239-Q244 WeakPolarHBondContact CG1-O 3.41Å; I239-Q244 WeakPolarHBondContact CG2-O 3.46Å; H242-Q244 HydrophobicContact CB-CG 4.45Å; H242-Q244 PolarHBondContact O-N 3.28Å; Q244-K275 PolarHBondContact NE2-O 3.14Å
245S86.6Confident88.2Confident114 Ų11488.8 Ų88.880%0.79748%0.477SS*.PPolyproline II helixtrans-73.4158.7176.2-164.90000111.9
246R88Confident87.7Confident139 Ų13984.9 Ų84.953%0.52546%0.461SS..PPolyproline II helixtrans-91152.7171.566.9176.878.5165.46.9109.9I239 H256I239-R246 HydrophobicContact CD1-CB 3.88Å; R246-H256 VanDerWaalsContact CB-O 3.24Å; R246-H256 WeakPolarHBondContact CB-O 3.33Å
247G86Confident87.4Confident20 Ų2090.1 Ų90.121%0.20648%0.479CS..PPolyproline II helixtrans-70.7168.8166.300000112.4Y255G247-Y255 VanDerWaalsContact CA-O 3.31Å; G247-Y255 WeakPolarHBondContact CA-O 3.34Å; G247-Y255 PolarHBondContact N-O 2.92Å
248P88.6Confident87.1Confident93 Ų9396.4 Ų96.460%0.60450%0.495SS*.PPolyproline II helixtrans-52.6144.1173.7-23.633.3000111.4S253 H256P248-S253 WeakPolarHBondContact O-CB 3.33Å; P248-S253 PolarHBondContact O-OG 2.87Å; P248-H256 PolarHBondContact O-CD2 2.79Å; P248-H256 VanDerWaalsContact O-CD2 3.3Å; P248-H256 PolarHBondContact O-NE2 2.85Å
249M87.9Confident86.9Confident133 Ų13399 Ų9966%0.65551%0.512SS*.  trans-92-3.7177.5-75.1177.7150.800113.4
250A88.4Confident86.6Confident69 Ų6999.5 Ų99.557%0.5753%0.525SS*.SBendtrans-66.5158.3174.900000111.4G252 S253A250-G252 PolarHBondContact O-N 3.44Å; A250-S253 PolarHBondContact O-N 2.91Å
251H83.8Confident86.3Confident203 Ų20398.7 Ų98.794%0.9453%0.533SS*.THydrogen-bonded Turntrans-52.5138.2172.9-69.7-76.3000110.9
252G84.3Confident86.1Confident80 Ų8098.2 Ų98.283%0.82554%0.536SS*.THydrogen-bonded Turntrans103.9-24.7179.900000114.7A250 R254A250-G252 PolarHBondContact O-N 3.44Å; G252-R254 PolarHBondContact O-N 2.88Å
253S81.3Confident85.7Confident31 Ų3196.5 Ų96.522%0.21754%0.535CS..  trans-78.1121.4174.6176.80000111.3P248 A250 H256P248-S253 WeakPolarHBondContact O-CB 3.33Å; P248-S253 PolarHBondContact O-OG 2.87Å; A250-S253 PolarHBondContact O-N 2.91Å; S253-H256 PolarHBondContact O-CE1 3.42Å; S253-H256 PolarHBondContact O-NE2 3.43Å
254R80.8Confident85.4Confident203 Ų20396.6 Ų96.677%0.76652%0.523SS*.  trans-93.2-3.4171.8-68.2-178.3172.7176.4-2113.2G252G252-R254 PolarHBondContact O-N 2.88Å
255Y82.2Confident85Confident143 Ų143100.1 Ų100.156%0.56155%0.548SS*.  trans-112.653-170.3-70.9-90.1000113G247 R258G247-Y255 VanDerWaalsContact CA-O 3.31Å; G247-Y255 WeakPolarHBondContact CA-O 3.34Å; G247-Y255 PolarHBondContact N-O 2.92Å; Y255-R258 HydrophobicContact CD1-CB 3.88Å; Y255-R258 HydrophobicContact CE1-CB 4.45Å
256H83.9Confident84.7Confident76 Ų7699.2 Ų99.235%0.35255%0.548SS..SBendtrans-67.2-46.1178.4-60.5109.2000113.2R246 P248 S253R246-H256 VanDerWaalsContact CB-O 3.24Å; R246-H256 WeakPolarHBondContact CB-O 3.33Å; P248-H256 PolarHBondContact O-CD2 2.79Å; P248-H256 VanDerWaalsContact O-CD2 3.3Å; P248-H256 PolarHBondContact O-NE2 2.85Å; S253-H256 PolarHBondContact O-CE1 3.42Å; S253-H256 PolarHBondContact O-NE2 3.43Å
257R87Confident84.6Confident142 Ų14294.8 Ų94.854%0.53654%0.536SS..SBendtrans-1429.9-175.4-55.1-178.86479.4-4.3113.8I239I239-R257 HydrophobicContact CD1-CB 4.01Å; I239-R257 HydrophobicContact CD1-CG 3.92Å
258R86.2Confident84.5Confident159 Ų159100.7 Ų100.760%0.656%0.564SS**SBendtrans-72154.5179-70.9-176.2176.1-171.4-1.4109.9Y255 G260Y255-R258 HydrophobicContact CD1-CB 3.88Å; Y255-R258 HydrophobicContact CE1-CB 4.45Å; R258-G260 PolarHBondContact O-N 3.28Å
259P86.4Confident84.5Confident58 Ų58104.3 Ų104.338%0.37757%0.565SS.*  trans-56.3137.4165.826.1-33.1000109.2V238 M262 L276V238-P259 HydrophobicContact CG1-CB 4.33Å; P259-M262 HydrophobicContact CB-SD 4.39Å; P259-L276 HydrophobicContact CB-CD2 4Å
260G84.9Confident84.4Confident43 Ų43101.3 Ų101.344%0.44355%0.554SS.*  trans-69.9-154174.400000112R258 M262R258-G260 PolarHBondContact O-N 3.28Å; G260-M262 PolarHBondContact O-N 3.43Å
261S85.5Confident84.3Confident89 Ų89103.1 Ų103.162%0.62255%0.549SS*.  trans-53.7129.8178.3176.60000112.2G263 K274S261-G263 PolarHBondContact OG-O 3.15Å; S261-K274 WeakPolarHBondContact O-CE 2.86Å; S261-K274 PolarHBondContact O-NZ 2.94Å
262M86.4Confident84.5Confident82 Ų82102.7 Ų102.740%0.40455%0.545SS..  trans-78.9-24.5-178-69.9-61.8-66.200112.8P259 G260 V270 L276P259-M262 HydrophobicContact CB-SD 4.39Å; G260-M262 PolarHBondContact O-N 3.43Å; M262-V270 HydrophobicContact CB-CG2 4.19Å; M262-V270 HydrophobicContact CE-CG1 4.41Å; M262-V270 HydrophobicContact CE-CG2 3.87Å; M262-L276 HydrophobicContact CE-CD1 3.98Å; M262-L276 HydrophobicContact CE-CD2 4.11Å; M262-L276 HydrophobicContact SD-CD2 3.86Å
263G83.2Confident84.7Confident26 Ų26106.5 Ų106.527%0.26855%0.546SS..SBendtrans175.2165.2179.900000110.7S261S261-G263 PolarHBondContact OG-O 3.15Å
264P82.5Confident85Confident70 Ų70109.3 Ų109.346%0.45555%0.554SS.*  trans-68.6158.1169.413.4-2.4000110.2P267 F271P264-P267 HydrophobicContact CB-CG 4.29Å; P264-P267 HydrophobicContact CG-CG 3.68Å; P264-P267 WeakPolarHBondContact O-CD 3.27Å; P264-F271 HydrophobicContact CG-CE2 3.73Å
265V81.8Confident85.4Confident130 Ų130105.8 Ų105.879%0.78855%0.545SS*.SBendtrans-63.8-48.9177.7178.10000110.5N268V265-N268 PolarHBondContact O-N 2.92Å; V265-N268 PolarHBondContact O-OD1 3.5Å
266A80.2Confident85.9Confident95 Ų95101.8 Ų101.879%0.78553%0.533SS*.THydrogen-bonded Turntrans-55.2-39.5-170.400000117.2
267P85.2Confident86.3Confident45 Ų45100 Ų10029%0.29253%0.531SS..THydrogen-bonded Turntrans-86.1-2.8176.633.2-36.9000114.5P264 R269 F271P264-P267 HydrophobicContact CB-CG 4.29Å; P264-P267 HydrophobicContact CG-CG 3.68Å; P264-P267 WeakPolarHBondContact O-CD 3.27Å; P267-R269 HydrophobicContact CB-CG 4.31Å; P267-R269 WeakPolarHBondContact O-CG 3.39Å; P267-R269 PolarHBondContact O-N 3.41Å; P267-F271 HydrophobicContact CB-CZ 4.33Å; P267-F271 HydrophobicContact CG-CE2 4.04Å; P267-F271 HydrophobicContact CG-CZ 3.97Å
268N84.7Confident86.6Confident145 Ų14593.6 Ų93.678%0.77551%0.51SS*.  trans44.627.6-179.7-71.267.4000115.4V265V265-N268 PolarHBondContact O-N 2.92Å; V265-N268 PolarHBondContact O-OD1 3.5Å
269R87.2Confident87Confident169 Ų16995.6 Ų95.664%0.63852%0.517SS*.SBendtrans-146.4153.9-178.173.9-173.6-178.4173.9-2.9111.4P267P267-R269 HydrophobicContact CB-CG 4.31Å; P267-R269 WeakPolarHBondContact O-CG 3.39Å; P267-R269 PolarHBondContact O-N 3.41Å
270V86.6Confident87.2Confident70 Ų7095.1 Ų95.142%0.42451%0.51SS..PPolyproline II helixtrans-77.7122.7167.9-177.50000108M262 K272 K274M262-V270 HydrophobicContact CB-CG2 4.19Å; M262-V270 HydrophobicContact CE-CG1 4.41Å; M262-V270 HydrophobicContact CE-CG2 3.87Å; V270-K272 PolarHBondContact O-N 3.39Å; V270-K274 HydrophobicContact CG1-CB 3.68Å; V270-K274 HydrophobicContact CG1-CG 4.08Å
271F86.9Confident87.6Confident106 Ų10693.7 Ų93.747%0.46550%0.496SS..PPolyproline II helixtrans-60.2140174-72.9-77.8000110.8P264 P267 K274P264-F271 HydrophobicContact CG-CE2 3.73Å; P267-F271 HydrophobicContact CB-CZ 4.33Å; P267-F271 HydrophobicContact CG-CE2 4.04Å; P267-F271 HydrophobicContact CG-CZ 3.97Å; F271-K274 WeakPolarHBondContact O-CB 3.46Å; F271-K274 PolarHBondContact O-N 2.95Å
272K88.3Confident87.7Confident194 Ų19491 Ų9184%0.84348%0.483SS*.THydrogen-bonded Turntrans-54144.7173.3-65.1-177.6179.81800109.3V270 K274V270-K272 PolarHBondContact O-N 3.39Å; K272-K274 VanDerWaalsContact C-N 3.29Å; K272-K274 PolarHBondContact O-N 3.3Å
273N88.3Confident88Confident160 Ų16092.1 Ų92.186%0.85649%0.49SS*.THydrogen-bonded Turntrans67.516.5-177-52.4-38.2000116.1K275N273-K275 PolarHBondContact O-N 3.17Å; N273-K275 VanDerWaalsContact O-N 3.15Å
274K86.4Confident88.3Confident90 Ų9098 Ų9839%0.39150%0.504SS..  trans-56.2122.1166.3-176.168.8171.5-167.40110S261 V270 F271 K272 L276S261-K274 WeakPolarHBondContact O-CE 2.86Å; S261-K274 PolarHBondContact O-NZ 2.94Å; V270-K274 HydrophobicContact CG1-CB 3.68Å; V270-K274 HydrophobicContact CG1-CG 4.08Å; F271-K274 WeakPolarHBondContact O-CB 3.46Å; F271-K274 PolarHBondContact O-N 2.95Å; K272-K274 VanDerWaalsContact C-N 3.29Å; K272-K274 PolarHBondContact O-N 3.3Å; K274-L276 HydrophobicContact CG-CD2 4.28Å; K274-L276 HydrophobicContact CG-CG 4.29Å; K274-L276 PolarHBondContact O-N 3.07Å; K274-L276 VanDerWaalsContact O-N 3.07Å
275K90.2Very high88.7Confident129 Ų12997.5 Ų97.556%0.56150%0.5SS*.  trans-69.898.3-178-72.9-178.6-174.5175.90111.2H242 Q244 N273H242-K275 HydrophobicContact CB-CB 4.12Å; H242-K275 HydrophobicContact CB-CD 4.16Å; Q244-K275 PolarHBondContact NE2-O 3.14Å; N273-K275 PolarHBondContact O-N 3.17Å; N273-K275 VanDerWaalsContact O-N 3.15Å
276L92Very high89Confident59 Ų5994.3 Ų94.331%0.30948%0.481SS..  trans-111.5170.8-179.3-66.3176.2000112.5R241 H242 P259 M262 K274R241-L276 PolarHBondContact NH1-O 2.94Å; H242-L276 PolarHBondContact CD2-O 2.95Å; H242-L276 PolarHBondContact NE2-O 3.41Å; H242-L276 VanDerWaalsContact NE2-O 3.09Å; P259-L276 HydrophobicContact CB-CD2 4Å; M262-L276 HydrophobicContact CE-CD1 3.98Å; M262-L276 HydrophobicContact CE-CD2 4.11Å; M262-L276 HydrophobicContact SD-CD2 3.86Å; K274-L276 HydrophobicContact CG-CD2 4.28Å; K274-L276 HydrophobicContact CG-CG 4.29Å; K274-L276 PolarHBondContact O-N 3.07Å; K274-L276 VanDerWaalsContact O-N 3.07Å
277A92.6Very high89.5Confident38 Ų3892.4 Ų92.431%0.31446%0.457SS..SBendtrans-59.7151173.900000110.7F235 Q236 V238 R241F235-A277 HydrophobicContact CE1-CB 3.85Å; F235-A277 HydrophobicContact CZ-CB 3.7Å; Q236-A277 VanDerWaalsContact O-CA 3.3Å; Q236-A277 WeakPolarHBondContact O-CA 3.4Å; Q236-A277 WeakPolarHBondContact O-CB 3.4Å; V238-A277 HydrophobicContact CG1-CB 4.36Å; V238-A277 VanDerWaalsContact CG1-N 3.32Å; R241-A277 PolarHBondContact NH1-O 3.37Å
278G93.6Very high89.6Confident9 Ų994 Ų949%0.09346%0.46CS..EExtended strand (participates in β ladder)trans171.4-176.7-178.400000113.6Q236 M280Q236-G278 PolarHBondContact N-O 2.88Å; Q236-G278 PolarHBondContact O-N 3.01Å; G278-M280 PolarHBondContact O-N 3Å
279R93.5Very high89.8Confident201 Ų20191 Ų9176%0.75845%0.445SS*.EExtended strand (participates in β ladder)trans-61.1130.7177.8-170.4176.2176.3179.6-0110.4G234G234-R279 WeakPolarHBondContact O-CA 3.4Å
280M92.3Very high89.8Confident47 Ų4784 Ų8423%0.23242%0.419CS..  trans-123.8139.3178.1-173.5-172.3-170.200110.6K233 G234 Q236 K240 R241 G278K233-M280 HydrophobicContact CB-CB 4.28Å; K233-M280 HydrophobicContact CB-CG 4.48Å; K233-M280 HydrophobicContact CD-CE 4.25Å; K233-M280 HydrophobicContact CD-CG 4.27Å; K233-M280 HydrophobicContact CD-SD 3.73Å; K233-M280 PolarHBondContact N-O 2.86Å; G234-M280 PolarHBondContact O-N 2.8Å; Q236-M280 HydrophobicContact CB-CB 3.98Å; Q236-M280 HydrophobicContact CB-SD 4.28Å; Q236-M280 HydrophobicContact CG-CB 3.78Å; Q236-M280 HydrophobicContact CG-SD 4.05Å; K240-M280 HydrophobicContact CG-SD 4.46Å; R241-M280 HydrophobicContact CG-CB 4.43Å; R241-M280 HydrophobicContact CG-CG 4.49Å; G278-M280 PolarHBondContact O-N 3Å
281G91.9Very high89.7Confident13 Ų1384.3 Ų84.313%0.13442%0.416CS..  trans76.6-176.8-179.200000113.1K231 N283K231-G281 WeakPolarHBondContact O-CA 3.25Å; G281-N283 PolarHBondContact O-N 3.3Å
282G88.7Confident89.6Confident34 Ų3479.3 Ų79.335%0.35139%0.394SS..  trans759.7-170.900000113.5T230T230-G282 VanDerWaalsContact O-CA 3.31Å; T230-G282 WeakPolarHBondContact O-CA 3.48Å; T230-G282 PolarHBondContact O-N 3.4Å; T230-G282 VanDerWaalsContact O-N 3.1Å; T230-G282 PolarHBondContact OG1-N 3.2Å
283N91.2Very high89.4Confident105 Ų10571.9 Ų71.956%0.56137%0.365SS*.  trans-87.2147.4176.9-62.5-17000109.9T230 G281 V285T230-N283 PolarHBondContact N-O 3.38Å; T230-N283 PolarHBondContact OG1-N 2.99Å; T230-N283 PolarHBondContact OG1-O 3.28Å; G281-N283 PolarHBondContact O-N 3.3Å; N283-V285 PolarHBondContact O-N 3.38Å
284R90.4Very high89.1Confident148 Ų14870.4 Ų70.456%0.55835%0.347SS*.EExtended strand (participates in β ladder)trans-72.4122.6167.9-168.2175.1-173.3179.80.2108.4T227 G228T227-R284 HydrophobicContact CG2-CG 3.61Å; T227-R284 VanDerWaalsContact CG2-NE 3.32Å; G228-R284 WeakPolarHBondContact O-CA 3.37Å
285V90.8Very high88.8Confident60 Ų6067.7 Ų67.736%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-130.8139.1179.6174.90000108.4T227 G228 T230 N283T227-V285 WeakPolarHBondContact CA-O 3.24Å; G228-V285 PolarHBondContact N-O 3.24Å; G228-V285 PolarHBondContact O-N 3.24Å; T230-V285 HydrophobicContact CG2-CB 3.77Å; T230-V285 HydrophobicContact CG2-CG2 3.44Å; T230-V285 VanDerWaalsContact CG2-CG2 3.44Å; N283-V285 PolarHBondContact O-N 3.38Å
286T88.7Confident88.4Confident64 Ų6463.1 Ų63.139%0.39332%0.32SS..EExtended strand (participates in β ladder)trans-107.5124.1172.9-54.40000108.3D225 V226 T227 Q288D225-T286 HydrophobicContact CB-CG2 4.03Å; V226-T286 CarbonylContact O-C 3.58Å; V226-T286 WeakPolarHBondContact O-CA 3.14Å; T227-T286 WeakPolarHBondContact CG2-OG1 3.19Å; T227-T286 WeakPolarHBondContact OG1-CB 3.46Å; T227-T286 VanDerWaalsContact OG1-CG2 3.31Å; T227-T286 WeakPolarHBondContact OG1-CG2 3.41Å; T227-T286 PolarHBondContact OG1-OG1 3.16Å; T286-Q288 HydrophobicContact CG2-CG 4.29Å
287I89.5Confident87.6Confident55 Ų5562.3 Ų62.328%0.28232%0.322SS..EExtended strand (participates in β ladder)trans-95.1122.9166.6-59.4-176000105.8V226 L290 N307 P309V226-I287 PolarHBondContact N-O 2.73Å; V226-I287 PolarHBondContact O-N 3.5Å; I287-L290 HydrophobicContact CB-CD1 4.11Å; I287-L290 HydrophobicContact CG2-CD1 3.83Å; I287-L290 HydrophobicContact CG2-CD2 3.81Å; I287-L290 HydrophobicContact CG2-CG 3.87Å; I287-N307 VanDerWaalsContact CD1-O 3.26Å; I287-N307 WeakPolarHBondContact CD1-O 3.44Å; I287-P309 HydrophobicContact CG1-CG 4.46Å
288Q88.1Confident87Confident78 Ų7868.1 Ų68.136%0.36435%0.348SS..EExtended strand (participates in β ladder)trans-94.8158.9-175.1-53.2-161.3-75.900111.3D225 T286 L290D225-Q288 WeakPolarHBondContact OD1-CA 2.94Å; D225-Q288 VanDerWaalsContact OD1-CB 3.31Å; D225-Q288 WeakPolarHBondContact OD1-CB 3.42Å; D225-Q288 PolarHBondContact OD2-NE2 3.41Å; T286-Q288 HydrophobicContact CG2-CG 4.29Å; Q288-L290 PolarHBondContact O-N 3.47Å
289N88.3Confident86Confident83 Ų8372.9 Ų72.944%0.44436%0.363SS..EExtended strand (participates in β ladder)trans56.446.4171.7-60.1-10.2000114.3I223 I224 D225I223-N289 HydrophobicContact CG2-CB 4.02Å; I224-N289 PolarHBondContact O-N 2.95Å; D225-N289 PolarHBondContact OD1-N 2.7Å; D225-N289 VanDerWaalsContact OD1-N 3.08Å
290L86.7Confident85.3Confident20 Ų2065.5 Ų65.511%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-88.7139.7171-63.5176000109.7I223 I224 V226 I287 Q288 V304I223-L290 WeakPolarHBondContact CA-O 3.32Å; I224-L290 HydrophobicContact CG1-CB 4.25Å; I224-L290 VanDerWaalsContact CG1-O 3.23Å; I224-L290 WeakPolarHBondContact CG1-O 3.32Å; I224-L290 PolarHBondContact N-O 3.24Å; I224-L290 PolarHBondContact O-N 3.25Å; V226-L290 HydrophobicContact CB-CD1 3.78Å; V226-L290 HydrophobicContact CG2-CB 4.42Å; V226-L290 HydrophobicContact CG2-CD1 3.6Å; I287-L290 HydrophobicContact CB-CD1 4.11Å; I287-L290 HydrophobicContact CG2-CD1 3.83Å; I287-L290 HydrophobicContact CG2-CD2 3.81Å; I287-L290 HydrophobicContact CG2-CG 3.87Å; Q288-L290 PolarHBondContact O-N 3.47Å; L290-V304 HydrophobicContact CB-CG1 3.6Å; L290-V304 HydrophobicContact CD1-CG1 4Å; L290-V304 HydrophobicContact CG-CG1 4.35Å
291E86.1Confident84.9Confident78 Ų7864.4 Ų64.436%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-93.9135.2-178.5-174.1-175.8177.900110.2K305E291-K305 HydrophobicContact CB-CB 4.14Å; E291-K305 HydrophobicContact CB-CD 4.18Å; E291-K305 WeakPolarHBondContact O-CB 3.34Å; E291-K305 PolarHBondContact O-N 2.89Å; E291-K305 VanDerWaalsContact OE2-CD 3.23Å; E291-K305 WeakPolarHBondContact OE2-CD 3.47Å; E291-K305 IonicContact OE2-NZ 3.11Å; E291-K305 PolarHBondContact OE2-NZ 2.8Å
292I84.6Confident84.5Confident0 Ų063.8 Ų63.80%033%0.328CS..EExtended strand (participates in β ladder)trans-81.1116.1169.4-61.7-176.7000108.6F218 G221 D222 I224 V295 I302F218-I292 HydrophobicContact CB-CD1 3.7Å; F218-I292 HydrophobicContact CD1-CD1 3.77Å; F218-I292 HydrophobicContact CG-CD1 3.89Å; G221-I292 PolarHBondContact N-O 2.8Å; D222-I292 HydrophobicContact CB-CD1 4.14Å; D222-I292 HydrophobicContact CB-CG1 4.48Å; D222-I292 PolarHBondContact O-N 3.47Å; I224-I292 HydrophobicContact CD1-CD1 3.99Å; I224-I292 HydrophobicContact CD1-CG1 3.7Å; I224-I292 HydrophobicContact CG1-CD1 4.42Å; I224-I292 HydrophobicContact CG1-CG1 4Å; I224-I292 HydrophobicContact CG2-CD1 3.82Å; I224-I292 HydrophobicContact CG2-CG1 4.19Å; I292-V295 HydrophobicContact CG2-CG2 3.61Å; I292-I302 HydrophobicContact CD1-CG2 3.97Å; I292-I302 HydrophobicContact CG1-CG2 4.08Å; I292-I302 HydrophobicContact CG2-CG2 3.86Å
293V83.3Confident84.4Confident38 Ų3863.2 Ų63.223%0.2332%0.317CS..EExtended strand (participates in β ladder)trans-79.7-40.4179.8-179.60000111.3I139 V141 L303 K305I139-V293 HydrophobicContact CG2-CG2 4.3Å; V141-V293 HydrophobicContact CG1-CB 4.21Å; V141-V293 HydrophobicContact CG1-CG1 4.47Å; V141-V293 HydrophobicContact CG1-CG2 3.77Å; V293-L303 PolarHBondContact N-O 3.44Å; V293-K305 HydrophobicContact CG2-CB 3.84Å
294R81.6Confident84.1Confident129 Ų12958.2 Ų58.249%0.48729%0.29SS..EExtended strand (participates in β ladder)trans-159.5145.7-178.9177.2173.3177175.7-1110.3L303R294-L303 HydrophobicContact CB-CB 4.37Å; R294-L303 HydrophobicContact CB-CD1 3.78Å; R294-L303 HydrophobicContact CG-CD1 4.18Å; R294-L303 WeakPolarHBondContact O-CB 3.38Å; R294-L303 PolarHBondContact O-N 3.28Å
295V80.3Confident83.9Confident34 Ų3455 Ų5521%0.20628%0.28CS..EExtended strand (participates in β ladder)trans-113.6133.7171.3179.40000108.4V215 F218 I292V215-V295 HydrophobicContact CB-CG1 4.42Å; V215-V295 HydrophobicContact CG1-CG1 3.51Å; F218-V295 HydrophobicContact CB-CG2 4.19Å; I292-V295 HydrophobicContact CG2-CG2 3.61Å
296D82.1Confident83.6Confident33 Ų3353 Ų5318%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-119.6101.4173.4-174.2-31.2000107.8D298 R299 N300 V301D296-D298 PolarHBondContact OD1-N 3.19Å; D296-R299 PolarHBondContact OD1-N 3.05Å; D296-R299 WeakPolarHBondContact OD2-CD 3.4Å; D296-R299 IonicContact OD2-NE 2.87Å; D296-R299 PolarHBondContact OD2-NE 3.28Å; D296-N300 WeakPolarHBondContact O-CA 3.35Å; D296-N300 PolarHBondContact O-N 3.46Å; D296-N300 VanDerWaalsContact O-N 3.09Å; D296-V301 HydrophobicContact CB-CB 4.44Å; D296-V301 PolarHBondContact N-O 3.24Å; D296-V301 PolarHBondContact O-N 3.35Å
297A76.3Confident83.4Confident42 Ų4255 Ų5535%0.34728%0.28SS..THydrogen-bonded Turntrans-69.3-37.1-178.400000112.2D216 R299 N300D216-A297 WeakPolarHBondContact OD1-CB 3.49Å; A297-R299 VanDerWaalsContact C-N 3.27Å; A297-R299 PolarHBondContact O-N 3.31Å; A297-N300 PolarHBondContact O-N 2.88Å
298D78.5Confident83.4Confident159 Ų15952.6 Ų52.685%0.8527%0.268SS*.THydrogen-bonded Turntrans-61.5-38.7-178.4-64.4-31.8000111.3D296D296-D298 PolarHBondContact OD1-N 3.19Å
299R72.3Confident83.3Confident110 Ų11049.4 Ų49.442%0.41525%0.254SS..THydrogen-bonded Turntrans-95.4-5.3179.7-59.3179.1-166.8-131.7-23.3113.8M116 D296 A297 V301M116-R299 PolarHBondContact O-NH1 3.21Å; M116-R299 PolarHBondContact O-NH2 3.08Å; D296-R299 PolarHBondContact OD1-N 3.05Å; D296-R299 WeakPolarHBondContact OD2-CD 3.4Å; D296-R299 IonicContact OD2-NE 2.87Å; D296-R299 PolarHBondContact OD2-NE 3.28Å; A297-R299 VanDerWaalsContact C-N 3.27Å; A297-R299 PolarHBondContact O-N 3.31Å; R299-V301 VanDerWaalsContact C-N 3.31Å; R299-V301 HydrophobicContact CB-CB 4.33Å; R299-V301 HydrophobicContact CB-CG2 3.86Å; R299-V301 PolarHBondContact O-N 3.04Å
300N80.2Confident83.2Confident46 Ų4646 Ų4625%0.24624%0.238CC..THydrogen-bonded Turntrans54.345.6-169.8-58-78.4000112.5A146 V215 D296 A297A146-N300 PolarHBondContact N-O 3.48Å; V215-N300 HydrophobicContact CG2-CB 3.86Å; D296-N300 WeakPolarHBondContact O-CA 3.35Å; D296-N300 PolarHBondContact O-N 3.46Å; D296-N300 VanDerWaalsContact O-N 3.09Å; A297-N300 PolarHBondContact O-N 2.88Å
301V83.4Confident83Confident24 Ų2446.9 Ų46.915%0.14525%0.249CC..EExtended strand (participates in β ladder)trans-118.2135.1-176.7172.80000111.2V143 I144 D296 R299 L303V143-V301 HydrophobicContact CG1-CG1 3.4Å; I144-V301 CarbonylContact O-C 3.49Å; I144-V301 WeakPolarHBondContact O-CA 3.41Å; D296-V301 HydrophobicContact CB-CB 4.44Å; D296-V301 PolarHBondContact N-O 3.24Å; D296-V301 PolarHBondContact O-N 3.35Å; R299-V301 VanDerWaalsContact C-N 3.31Å; R299-V301 HydrophobicContact CB-CB 4.33Å; R299-V301 HydrophobicContact CB-CG2 3.86Å; R299-V301 PolarHBondContact O-N 3.04Å; V301-L303 HydrophobicContact CG1-CD2 4.36Å; V301-L303 HydrophobicContact CG1-CG 4.48Å
302I83.8Confident82.7Confident0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-111.8127.7171.5-53.7172.9000108.4I144 A146 V215 F218 I292 V304 I318I144-I302 HydrophobicContact CB-CB 4.46Å; I144-I302 PolarHBondContact N-O 2.8Å; I144-I302 PolarHBondContact O-N 3.49Å; A146-I302 HydrophobicContact CB-CD1 4.01Å; A146-I302 HydrophobicContact CB-CG1 4.37Å; V215-I302 HydrophobicContact CG1-CD1 3.81Å; V215-I302 HydrophobicContact CG1-CG1 3.32Å; F218-I302 HydrophobicContact CD2-CD1 3.75Å; F218-I302 HydrophobicContact CE2-CD1 4.1Å; F218-I302 HydrophobicContact CG-CD1 4.44Å; I292-I302 HydrophobicContact CD1-CG2 3.97Å; I292-I302 HydrophobicContact CG1-CG2 4.08Å; I292-I302 HydrophobicContact CG2-CG2 3.86Å; I302-V304 HydrophobicContact CG2-CG2 3.8Å; I302-I318 HydrophobicContact CD1-CD1 3.71Å
303L85.5Confident82.4Confident22 Ų2255.3 Ų55.312%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-98.1109.2174.2-63.8167.2000108.8I131 V141 V143 V293 R294 V301I131-L303 HydrophobicContact CD1-CB 4.5Å; I131-L303 HydrophobicContact CD1-CD1 3.46Å; I131-L303 VanDerWaalsContact CD1-CD1 3.46Å; I131-L303 HydrophobicContact CD1-CD2 4.27Å; I131-L303 HydrophobicContact CD1-CG 4.28Å; V141-L303 HydrophobicContact CG2-CD2 4.25Å; V143-L303 HydrophobicContact CB-CD2 4.26Å; V143-L303 HydrophobicContact CG1-CD2 4.31Å; V143-L303 HydrophobicContact CG2-CD2 3.73Å; V293-L303 PolarHBondContact N-O 3.44Å; R294-L303 HydrophobicContact CB-CB 4.37Å; R294-L303 HydrophobicContact CB-CD1 3.78Å; R294-L303 HydrophobicContact CG-CD1 4.18Å; R294-L303 WeakPolarHBondContact O-CB 3.38Å; R294-L303 PolarHBondContact O-N 3.28Å; V301-L303 HydrophobicContact CG1-CD2 4.36Å; V301-L303 HydrophobicContact CG1-CG 4.48Å
304V86.5Confident82.4Confident0 Ų054.8 Ų54.80%028%0.282CS..EExtended strand (participates in β ladder)trans-104.5131.7-178.5-178.10000109.9V141 T142 I144 I224 L290 I302 G306V141-V304 CarbonylContact C-O 3.55Å; V141-V304 VanDerWaalsContact CA-O 3.31Å; V141-V304 WeakPolarHBondContact CA-O 3.37Å; T142-V304 PolarHBondContact N-O 3.15Å; T142-V304 PolarHBondContact O-N 3.06Å; I144-V304 HydrophobicContact CD1-CB 4.26Å; I144-V304 HydrophobicContact CD1-CG2 3.52Å; I144-V304 HydrophobicContact CG1-CG2 4.24Å; I224-V304 HydrophobicContact CD1-CG1 4.2Å; I224-V304 HydrophobicContact CD1-CG2 3.78Å; L290-V304 HydrophobicContact CB-CG1 3.6Å; L290-V304 HydrophobicContact CD1-CG1 4Å; L290-V304 HydrophobicContact CG-CG1 4.35Å; I302-V304 HydrophobicContact CG2-CG2 3.8Å; V304-G306 PolarHBondContact O-N 3.28Å
305K85.3Confident82.5Confident79 Ų7951 Ų5134%0.34327%0.271SS..EExtended strand (participates in β ladder)trans-62.5129.7176.2-173.5166.5176177.10110.9I139 E291 V293I139-K305 HydrophobicContact CG2-CB 4.42Å; I139-K305 HydrophobicContact CG2-CD 4.04Å; I139-K305 HydrophobicContact CG2-CG 3.71Å; E291-K305 HydrophobicContact CB-CB 4.14Å; E291-K305 HydrophobicContact CB-CD 4.18Å; E291-K305 WeakPolarHBondContact O-CB 3.34Å; E291-K305 PolarHBondContact O-N 2.89Å; E291-K305 VanDerWaalsContact OE2-CD 3.23Å; E291-K305 WeakPolarHBondContact OE2-CD 3.47Å; E291-K305 IonicContact OE2-NZ 3.11Å; E291-K305 PolarHBondContact OE2-NZ 2.8Å; V293-K305 HydrophobicContact CG2-CB 3.84Å
306G84.5Confident82.8Confident18 Ų1850.8 Ų50.819%0.18627%0.269CS..SBendtrans79.5-151.1173.400000115.3P140 T142 V304P140-G306 PolarHBondContact O-N 3.22Å; T142-G306 PolarHBondContact OG1-O 3.28Å; V304-G306 PolarHBondContact O-N 3.28Å
307N85Confident82.9Confident106 Ų10649.9 Ų49.957%0.56726%0.264SS*.PPolyproline II helixtrans-94.4131.3-167.6-67.5-57.3000112.2M128 I287M128-N307 HydrophobicContact CE-CB 4.32Å; M128-N307 WeakPolarHBondContact CE-OD1 3.28Å; I287-N307 VanDerWaalsContact CD1-O 3.26Å; I287-N307 WeakPolarHBondContact CD1-O 3.44Å
308V87.9Confident83.4Confident6 Ų649.1 Ų49.14%0.03625%0.254CS..PPolyproline II helixtrans-103.7138.7172.7170.70000111.1K125 T142 I144 V226 I316K125-V308 PolarHBondContact NZ-O 2.91Å; T142-V308 HydrophobicContact CG2-CB 3.92Å; T142-V308 HydrophobicContact CG2-CG2 3.69Å; I144-V308 HydrophobicContact CD1-CG2 3.99Å; I144-V308 HydrophobicContact CG1-CG2 4.44Å; V226-V308 HydrophobicContact CG1-CG1 3.74Å; V226-V308 HydrophobicContact CG1-CG2 4.32Å; V308-I316 HydrophobicContact CG1-CD1 3.27Å; V308-I316 HydrophobicContact CG1-CG1 3.63Å; V308-I316 HydrophobicContact CG1-CG2 4.12Å
309P86.9Confident83.5Confident10 Ų1045.3 Ų45.37%0.06523%0.23CC..SBendtrans-61.5142.5-178.325.8-36000112.8I287I287-P309 HydrophobicContact CG1-CG 4.46Å
310G86.8Confident83.7Confident11 Ų1144.6 Ų44.611%0.11324%0.242CC..SBendtrans105179172.900000115.4T229T229-G310 WeakPolarHBondContact O-CA 3.27Å
311A82.8Confident83.5Confident40 Ų4043.3 Ų43.333%0.33124%0.238SC..SBendtrans-70.6168.5177.300000111.1K231 K313 S314K231-A311 HydrophobicContact CG-CB 3.97Å; A311-K313 PolarHBondContact O-N 3.05Å; A311-S314 PolarHBondContact O-N 2.83Å; A311-S314 PolarHBondContact O-OG 2.86Å
312K78.8Confident83Confident142 Ų14247.8 Ų47.862%0.61727%0.265SS*.THydrogen-bonded Turntrans-50.7139.6158.4-69.5-169.3179.8-172.10106.2S314K312-S314 PolarHBondContact O-N 3.27Å
313K78.9Confident82.6Confident113 Ų11353.7 Ų53.749%0.49129%0.29SS..THydrogen-bonded Turntrans68.623.3174.3-51.1-166.5146.2-174.50117.8K124 K125 A311K124-K313 VanDerWaalsContact CB-CA 3.45Å; K124-K313 HydrophobicContact CB-CB 3.47Å; K124-K313 VanDerWaalsContact CB-CB 3.47Å; K124-K313 HydrophobicContact CB-CD 4.23Å; K124-K313 HydrophobicContact CB-CG 3.54Å; K124-K313 HydrophobicContact CD-CB 3.34Å; K124-K313 HydrophobicContact CD-CD 3.73Å; K124-K313 HydrophobicContact CD-CG 3.78Å; K124-K313 WeakPolarHBondContact CE-O 3.45Å; K124-K313 VanDerWaalsContact CG-CA 3.45Å; K124-K313 HydrophobicContact CG-CB 3.38Å; K124-K313 HydrophobicContact CG-CD 4.43Å; K124-K313 HydrophobicContact CG-CG 3.94Å; K124-K313 PolarHBondContact NZ-O 3.33Å; K125-K313 PolarHBondContact O-N 3.07Å; A311-K313 PolarHBondContact O-N 3.05Å
314S82.4Confident81.3Confident26 Ų2655.8 Ų55.818%0.18231%0.311CS..  trans-84.2150172.153.50000112.8A311 K312A311-S314 PolarHBondContact O-N 2.83Å; A311-S314 PolarHBondContact O-OG 2.86Å; K312-S314 PolarHBondContact O-N 3.27Å
315L84.4Confident79.3Confident51 Ų5168.5 Ų68.527%0.26737%0.366SS..  trans-65.8134.3167.1-172.291.9000109.5Y169 F195Y169-L315 HydrophobicContact CD1-CD1 3.49Å; Y169-L315 VanDerWaalsContact CD1-CD1 3.49Å; Y169-L315 HydrophobicContact CE1-CD1 3.79Å; Y169-L315 HydrophobicContact CG-CD1 4.35Å; F195-L315 HydrophobicContact CB-CD1 4.24Å; F195-L315 HydrophobicContact CB-CD2 4.41Å; F195-L315 HydrophobicContact CD1-CD2 4.2Å; F195-L315 HydrophobicContact CD2-CD1 3.95Å; F195-L315 HydrophobicContact CE2-CD1 4.4Å; F195-L315 HydrophobicContact CG-CD1 3.99Å; F195-L315 HydrophobicContact CG-CD2 4.3Å
316I85.9Confident79Confident29 Ų2968 Ų6815%0.14937%0.367CS..EExtended strand (participates in β ladder)trans-128.8147179.4-68.6141.2000108K125 V226 T227 V308 I318K125-I316 HydrophobicContact CB-CD1 4.38Å; V226-I316 HydrophobicContact CG1-CG2 3.13Å; T227-I316 CarbonylContact O-C 3.59Å; T227-I316 WeakPolarHBondContact O-CA 3.47Å; V308-I316 HydrophobicContact CG1-CD1 3.27Å; V308-I316 HydrophobicContact CG1-CG1 3.63Å; V308-I316 HydrophobicContact CG1-CG2 4.12Å; I316-I318 HydrophobicContact CG2-CG1 4.39Å
317T85.5Confident78.7Confident13 Ų1370.6 Ų70.68%0.0838%0.377CS..EExtended strand (participates in β ladder)trans-111.9121.7172.4-59.30000107.8F199 T227 K319F199-T317 HydrophobicContact CE1-CG2 3.41Å; F199-T317 VanDerWaalsContact CE1-CG2 3.41Å; F199-T317 HydrophobicContact CZ-CG2 3.51Å; T227-T317 PolarHBondContact N-O 3.39Å; T227-T317 PolarHBondContact O-N 3.26Å; T317-K319 HydrophobicContact CG2-CG 4.37Å
318I85.6Confident78.3Confident27 Ų2768.6 Ų68.614%0.13837%0.366CS..EExtended strand (participates in β ladder)trans-97.5135.4173.9-59.7173.6000107.7I144 F218 I224 I302 I316I144-I318 HydrophobicContact CD1-CD1 4Å; I144-I318 HydrophobicContact CG2-CD1 4.27Å; F218-I318 HydrophobicContact CE1-CG2 3.75Å; F218-I318 HydrophobicContact CE2-CG2 4.42Å; F218-I318 HydrophobicContact CZ-CB 4.25Å; F218-I318 HydrophobicContact CZ-CG2 3.6Å; I224-I318 HydrophobicContact CB-CG2 3.98Å; I224-I318 HydrophobicContact CD1-CG2 3.7Å; I224-I318 HydrophobicContact CG1-CG2 4.43Å; I224-I318 HydrophobicContact CG2-CG2 4.02Å; I302-I318 HydrophobicContact CD1-CD1 3.71Å; I316-I318 HydrophobicContact CG2-CG1 4.39Å
319K80.3Confident77.8Confident78 Ų7872.3 Ų72.334%0.33939%0.386SS..EExtended strand (participates in β ladder)trans-132.1155171.4-69.3-169.8170.6-155.20109.1F199 I224 D225 T317F199-K319 HydrophobicContact CD1-CG 4.2Å; F199-K319 HydrophobicContact CE1-CG 4.02Å; I224-K319 CarbonylContact C-O 3.51Å; I224-K319 WeakPolarHBondContact CA-O 3.34Å; I224-K319 WeakPolarHBondContact CB-O 3.39Å; D225-K319 PolarHBondContact N-O 2.96Å; D225-K319 PolarHBondContact O-N 3.46Å; T317-K319 HydrophobicContact CG2-CG 4.37Å
320S78.1Confident77.2Confident95 Ų9576.2 Ų76.266%0.66441%0.406SS*.EExtended strand (participates in β ladder)trans-57.4142.7164.2-46.90000109.8V322S320-V322 PolarHBondContact O-N 2.91Å
321A75.8Confident76.6Confident20 Ų2080.5 Ų80.517%0.16543%0.425CS..  trans-65.8131.7-175.900000112I223 K323 A324I223-A321 HydrophobicContact CB-CB 4.15Å; I223-A321 HydrophobicContact CG2-CB 3.67Å; I223-A321 WeakPolarHBondContact O-CB 3.49Å; I223-A321 PolarHBondContact O-N 3.45Å; I223-A321 VanDerWaalsContact O-N 3.13Å; A321-K323 VanDerWaalsContact C-N 3.34Å; A321-A324 HydrophobicContact CB-CB 4.39Å
322V73Confident76.1Confident118 Ų11883.4 Ų83.472%0.71543%0.432SS*.THydrogen-bonded Turntrans-78.5-23.2178.2-177.90000111.6S320S320-V322 PolarHBondContact O-N 2.91Å
323K73.7Confident75.9Confident123 Ų12378.9 Ų78.954%0.53542%0.418SS..THydrogen-bonded Turntrans-123.533.8-172.6-62.3-179.9-177161.90112.8A321 K325A321-K323 VanDerWaalsContact C-N 3.34Å; K323-K325 PolarHBondContact O-N 2.91Å; K323-K325 VanDerWaalsContact O-N 3.09Å
324A58.7Low75.7Confident66 Ų6676.1 Ų76.155%0.54541%0.412SS..  trans-57.1118.8172.200000108.5A321A321-A324 HydrophobicContact CB-CB 4.39Å
325K44.4Very low75Confident267 Ų26780.6 Ų80.6100%1.16143%0.433SS*.  trans-108.90168.7-87.6-167.3176.7-1710107.4K323K323-K325 PolarHBondContact O-N 2.91Å; K323-K325 VanDerWaalsContact O-N 3.09Å

Retrieved 325 of 325 residues in 156.9 ms (Link to these results)