A0A096NUB0_PAPAN Loading...

Myozenin 2

AlphaFold DB , UniProt , Accession A0A096NUB0, Species PAPAN (Papio anubis, Olive baboon), Gene MYOZ2, Length 264 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
1M66.2Low82.5Confident246 Ų246117.2 Ų117.2100%1.21259%0.59SS**  01280-62.8-141.1-160.800108.3
2L69.6Low83Confident133 Ų133120.4 Ų120.470%0.69660%0.597SS**  trans-65.2138.1178.2-77.5151.9000109.9A6L2-A6 HydrophobicContact CD2-CB 4.25Å
3S81.9Confident83.4Confident78 Ų78120.6 Ų120.655%0.54560%0.595SS.*  trans-57.8143.4174.7173.20000110.5N5 A6 M7S3-N5 PolarHBondContact O-N 3.25Å; S3-N5 VanDerWaalsContact O-N 3.1Å; S3-A6 WeakPolarHBondContact O-CA 3.43Å; S3-A6 WeakPolarHBondContact O-CB 3.12Å; S3-A6 PolarHBondContact O-N 3.43Å; S3-M7 PolarHBondContact O-N 2.82Å; S3-M7 VanDerWaalsContact O-N 3.16Å
4H80.2Confident83.8Confident134 Ų134119.5 Ų119.562%0.6259%0.588SS**Hα-helixtrans-50.3-39.1-179.7-174.876.5000112.3A6 M7 V8H4-A6 PolarHBondContact O-N 3.1Å; H4-M7 PolarHBondContact O-N 2.85Å; H4-V8 WeakPolarHBondContact O-CG2 3.35Å; H4-V8 PolarHBondContact O-N 2.95Å
5N85.1Confident84.1Confident124 Ų124114.6 Ų114.666%0.66357%0.574SS**Hα-helixtrans-64.8-35.9176.9-76.7-43.3000113.5S3 K9S3-N5 PolarHBondContact O-N 3.25Å; S3-N5 VanDerWaalsContact O-N 3.1Å; N5-K9 WeakPolarHBondContact O-CB 3.33Å; N5-K9 PolarHBondContact O-N 3Å
6A86.4Confident84Confident40 Ų40111.6 Ų111.633%0.33156%0.564SS.*Hα-helixtrans-68.8-39.7176.500000111.1L2 S3 H4 K9 Q10L2-A6 HydrophobicContact CD2-CB 4.25Å; S3-A6 WeakPolarHBondContact O-CA 3.43Å; S3-A6 WeakPolarHBondContact O-CB 3.12Å; S3-A6 PolarHBondContact O-N 3.43Å; H4-A6 PolarHBondContact O-N 3.1Å; A6-K9 PolarHBondContact O-N 3.03Å; A6-Q10 WeakPolarHBondContact O-CB 3.3Å; A6-Q10 PolarHBondContact O-N 3.5Å
7M86.1Confident83.9Confident69 Ų69108.3 Ų108.334%0.3456%0.557SS.*Hα-helixtrans-64-43.1175.5-169.5-150.1-67.700111.7S3 H4 Q10 R11S3-M7 PolarHBondContact O-N 2.82Å; S3-M7 VanDerWaalsContact O-N 3.16Å; H4-M7 PolarHBondContact O-N 2.85Å; M7-Q10 PolarHBondContact O-N 3.39Å; M7-R11 WeakPolarHBondContact O-CG 3.3Å; M7-R11 PolarHBondContact O-N 3.22Å; M7-R11 PolarHBondContact SD-NH2 3.48Å
8V87.4Confident83.8Confident69 Ų69107.8 Ų107.842%0.41856%0.555SS.*Hα-helixtrans-63.6-42.3176.8172.80000111H4 R11 K12H4-V8 WeakPolarHBondContact O-CG2 3.35Å; H4-V8 PolarHBondContact O-N 2.95Å; V8-R11 PolarHBondContact O-N 3.28Å; V8-K12 WeakPolarHBondContact O-CB 3.15Å; V8-K12 PolarHBondContact O-N 3.35Å
9K88.6Confident83.4Confident143 Ų143108.3 Ų108.362%0.62256%0.556SS**Hα-helixtrans-63.2-42.5177.3-169176.8-179.6-178.30111.8N5 A6 K12 Q13N5-K9 WeakPolarHBondContact O-CB 3.33Å; N5-K9 PolarHBondContact O-N 3Å; A6-K9 PolarHBondContact O-N 3.03Å; K9-K12 PolarHBondContact O-N 3.24Å; K9-Q13 PolarHBondContact O-N 3.46Å
10Q88.2Confident83Confident94 Ų94111.3 Ų111.344%0.43957%0.565SS.*Hα-helixtrans-64.1-45176.6-173.4179.78.300111.9A6 M7 K12 Q13 Q14A6-Q10 WeakPolarHBondContact O-CB 3.3Å; A6-Q10 PolarHBondContact O-N 3.5Å; M7-Q10 PolarHBondContact O-N 3.39Å; Q10-K12 VanDerWaalsContact C-N 3.34Å; Q10-K12 PolarHBondContact O-N 2.92Å; Q10-Q13 PolarHBondContact O-N 3.23Å; Q10-Q14 WeakPolarHBondContact O-CG 3.07Å; Q10-Q14 PolarHBondContact O-N 3.49Å
11R87.9Confident82.6Confident159 Ų159113.3 Ų113.360%0.657%0.572SS**Hα-helixtrans-61.4-41.2175.7-74.6177176.5-176.7-0.9112.2M7 V8 Q14 A15M7-R11 WeakPolarHBondContact O-CG 3.3Å; M7-R11 PolarHBondContact O-N 3.22Å; M7-R11 PolarHBondContact SD-NH2 3.48Å; V8-R11 PolarHBondContact O-N 3.28Å; R11-Q14 PolarHBondContact O-N 3.24Å; R11-A15 WeakPolarHBondContact O-CB 3.43Å; R11-A15 PolarHBondContact O-N 3.33Å
12K88Confident82.7Confident156 Ų156107.1 Ų107.168%0.67855%0.548SS*.Hα-helixtrans-63.9-42.9176-169.8175.6-178.9179.10111.3V8 K9 Q10 A15 T16V8-K12 WeakPolarHBondContact O-CB 3.15Å; V8-K12 PolarHBondContact O-N 3.35Å; K9-K12 PolarHBondContact O-N 3.24Å; Q10-K12 VanDerWaalsContact C-N 3.34Å; Q10-K12 PolarHBondContact O-N 2.92Å; K12-A15 PolarHBondContact O-N 3.47Å; K12-T16 WeakPolarHBondContact O-CG2 3.4Å; K12-T16 PolarHBondContact O-N 3.37Å; K12-T16 PolarHBondContact O-OG1 2.97Å
13Q89.1Confident82.4Confident123 Ų123107.6 Ų107.658%0.57555%0.546SS*.Hα-helixtrans-62.6-45175.2-93.5177.3-31.200112.4K9 Q10 A15 T16 A17K9-Q13 PolarHBondContact O-N 3.46Å; Q10-Q13 PolarHBondContact O-N 3.23Å; Q13-A15 PolarHBondContact O-N 3.34Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.06Å; Q13-T16 PolarHBondContact O-N 2.79Å; Q13-T16 PolarHBondContact O-OG1 3.16Å; Q13-A17 PolarHBondContact O-N 2.96Å
14Q88.8Confident80.9Confident105 Ų105105.9 Ų105.949%0.49154%0.541SS..Hα-helixtrans-60.5-45.7175.8-74.7175.9-17.900111.8Q10 R11 T16 A17 I18Q10-Q14 WeakPolarHBondContact O-CG 3.07Å; Q10-Q14 PolarHBondContact O-N 3.49Å; R11-Q14 PolarHBondContact O-N 3.24Å; Q14-T16 VanDerWaalsContact C-N 3.31Å; Q14-T16 PolarHBondContact O-N 3.45Å; Q14-A17 PolarHBondContact O-N 3.16Å; Q14-I18 WeakPolarHBondContact O-CG1 3.37Å; Q14-I18 PolarHBondContact O-N 3.07Å
15A87.4Confident79.9Confident46 Ų46107.3 Ų107.338%0.3855%0.553SS.*Hα-helixtrans-60-39.9175.700000112.5R11 K12 Q13 M19R11-A15 WeakPolarHBondContact O-CB 3.43Å; R11-A15 PolarHBondContact O-N 3.33Å; K12-A15 PolarHBondContact O-N 3.47Å; Q13-A15 PolarHBondContact O-N 3.34Å; A15-M19 PolarHBondContact O-N 3.38Å
16T82.9Confident78.4Confident67 Ų67108.1 Ų108.141%0.41156%0.558SS.*Hα-helixtrans-69.7-33176.753.70000113.3K12 Q13 Q14 K20K12-T16 WeakPolarHBondContact O-CG2 3.4Å; K12-T16 PolarHBondContact O-N 3.37Å; K12-T16 PolarHBondContact O-OG1 2.97Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.06Å; Q13-T16 PolarHBondContact O-N 2.79Å; Q13-T16 PolarHBondContact O-OG1 3.16Å; Q14-T16 VanDerWaalsContact C-N 3.31Å; Q14-T16 PolarHBondContact O-N 3.45Å; T16-K20 WeakPolarHBondContact O-CG 3.33Å; T16-K20 PolarHBondContact O-N 3.47Å; T16-K20 VanDerWaalsContact O-N 3.1Å
17A83.1Confident76.7Confident55 Ų55112 Ų11246%0.45558%0.577SS.*Hα-helixtrans-68.4-46.2176.200000111.1Q13 Q14 M19 K20 E21Q13-A17 PolarHBondContact O-N 2.96Å; Q14-A17 PolarHBondContact O-N 3.16Å; A17-M19 VanDerWaalsContact C-N 3.34Å; A17-M19 PolarHBondContact O-N 3.04Å; A17-K20 PolarHBondContact O-N 3.14Å; A17-K20 VanDerWaalsContact O-N 3.12Å; A17-E21 PolarHBondContact O-N 3.46Å
18I82.1Confident75.4Confident100 Ų100117.6 Ų117.651%0.51360%0.602SS.*Hα-helixtrans-61.1-43.2176.1-65.1165.2000110.7Q14 K20 E21 V22Q14-I18 WeakPolarHBondContact O-CG1 3.37Å; Q14-I18 PolarHBondContact O-N 3.07Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.48Å; I18-E21 PolarHBondContact O-N 3.14Å; I18-V22 HydrophobicContact CG2-CG2 4.23Å; I18-V22 WeakPolarHBondContact O-CB 3.27Å; I18-V22 VanDerWaalsContact O-CG2 3.29Å; I18-V22 WeakPolarHBondContact O-CG2 3.33Å; I18-V22 PolarHBondContact O-N 3.02Å
19M75.6Confident74.1Confident116 Ų116119.4 Ų119.457%0.57162%0.618SS**Hα-helixtrans-58.1-46.2174.1-95.4-171.2-107.900111.2A15 A17 E21 V22 H23A15-M19 PolarHBondContact O-N 3.38Å; A17-M19 VanDerWaalsContact C-N 3.34Å; A17-M19 PolarHBondContact O-N 3.04Å; M19-E21 VanDerWaalsContact C-N 3.31Å; M19-E21 PolarHBondContact O-N 3.19Å; M19-V22 PolarHBondContact O-N 2.97Å; M19-H23 PolarHBondContact O-N 3.17Å; M19-H23 VanDerWaalsContact O-N 3.09Å; M19-H23 PolarHBondContact O-ND1 2.95Å
20K75.8Confident73Confident168 Ų168119.6 Ų119.673%0.7362%0.623SS**Hα-helixtrans-65.1-33.5179.2-73.6178.8176.2-1700113.3T16 A17 I18 H23 G24T16-K20 WeakPolarHBondContact O-CG 3.33Å; T16-K20 PolarHBondContact O-N 3.47Å; T16-K20 VanDerWaalsContact O-N 3.1Å; A17-K20 PolarHBondContact O-N 3.14Å; A17-K20 VanDerWaalsContact O-N 3.12Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.48Å; K20-H23 CarbonylContact O-C 3.44Å; K20-G24 PolarHBondContact O-N 3.07Å
21E75.3Confident72Confident155 Ų155122.2 Ų122.272%0.72464%0.64SS**Hα-helixtrans-72.2-41.7176.7-172.2178.4178.900112.4A17 I18 M19 H23 G24A17-E21 PolarHBondContact O-N 3.46Å; I18-E21 PolarHBondContact O-N 3.14Å; M19-E21 VanDerWaalsContact C-N 3.31Å; M19-E21 PolarHBondContact O-N 3.19Å; E21-H23 PolarHBondContact O-N 2.64Å; E21-G24 WeakPolarHBondContact O-CA 3.45Å; E21-G24 PolarHBondContact O-N 3.03Å
22V68.3Low71.4Confident115 Ų115121.7 Ų121.770%0.69765%0.648SS**Hα-helixtrans-62.8-31173.8170.80000111.7I18 M19 G24I18-V22 HydrophobicContact CG2-CG2 4.23Å; I18-V22 WeakPolarHBondContact O-CB 3.27Å; I18-V22 VanDerWaalsContact O-CG2 3.29Å; I18-V22 WeakPolarHBondContact O-CG2 3.33Å; I18-V22 PolarHBondContact O-N 3.02Å; M19-V22 PolarHBondContact O-N 2.97Å; V22-G24 VanDerWaalsContact C-N 3.28Å
23H62.5Low70.6Confident143 Ų143116.3 Ų116.366%0.66264%0.637SS**THydrogen-bonded Turntrans-94.421.3174.4-59.276.8000112M19 K20 E21 N25M19-H23 PolarHBondContact O-N 3.17Å; M19-H23 VanDerWaalsContact O-N 3.09Å; M19-H23 PolarHBondContact O-ND1 2.95Å; K20-H23 CarbonylContact O-C 3.44Å; E21-H23 PolarHBondContact O-N 2.64Å; H23-N25 PolarHBondContact O-N 3.44Å
24G50.1Low70Confident43 Ų43120.2 Ų120.244%0.44365%0.652SS.*  trans-57.3119.2-178.400000112.3K20 E21 V22 D26K20-G24 PolarHBondContact O-N 3.07Å; E21-G24 WeakPolarHBondContact O-CA 3.45Å; E21-G24 PolarHBondContact O-N 3.03Å; V22-G24 VanDerWaalsContact C-N 3.28Å; G24-D26 PolarHBondContact O-N 2.66Å
25N59.1Low69.5Low163 Ų163124.9 Ų124.987%0.87267%0.671SS**SBendtrans24.961.7154.6-70.3-17.6000118.1H23H23-N25 PolarHBondContact O-N 3.44Å
26D52.8Low68.6Low142 Ų142129.3 Ų129.376%0.75969%0.693SS**  trans-147.1124.5156.8-97.4-36.7000111.3G24G24-D26 PolarHBondContact O-N 2.66Å
27V52Low68.3Low121 Ų121130.7 Ų130.773%0.73371%0.705SS**SBendtrans33.4107150.9-165.90000115.7S29V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 3.31Å
28E58.3Low67.9Low186 Ų186135 Ų13587%0.86972%0.72SS**  trans2565.8155.7-68.2-176.5161.100113.8M30E28-M30 PolarHBondContact O-N 3.13Å
29S59.9Low67.3Low108 Ų108135.4 Ų135.476%0.75573%0.729SS**  trans-64.489.9168-178.10000106.1V27 D31V27-S29 VanDerWaalsContact C-N 3.29Å; V27-S29 PolarHBondContact O-N 3.31Å; S29-D31 PolarHBondContact O-N 3.24Å
30M65.4Low66.9Low147 Ų147140.8 Ų140.872%0.72474%0.742SS**  trans-52.1115.2177.9-162.9-179.5-69.300105.8E28 L32E28-M30 PolarHBondContact O-N 3.13Å; M30-L32 HydrophobicContact CB-CD2 4.25Å; M30-L32 HydrophobicContact CG-CD2 4.13Å; M30-L32 WeakPolarHBondContact O-CG 3.07Å; M30-L32 PolarHBondContact O-N 3.08Å; M30-L32 HydrophobicContact SD-CD2 4.09Å
31D67.9Low66.7Low149 Ų149139.6 Ų139.680%0.79774%0.744SS**  trans-66.890.3177.7-177.34.9000107.6S29 G33S29-D31 PolarHBondContact O-N 3.24Å; D31-G33 PolarHBondContact O-N 2.97Å; D31-G33 WeakPolarHBondContact OD1-CA 3.4Å; D31-G33 PolarHBondContact OD1-N 3.32Å
32L74.6Confident66.3Low147 Ų147137.8 Ų137.877%0.7774%0.738SS**  trans-69.68.3177.7-59.9-178.5000112M30M30-L32 HydrophobicContact CB-CD2 4.25Å; M30-L32 HydrophobicContact CG-CD2 4.13Å; M30-L32 WeakPolarHBondContact O-CG 3.07Å; M30-L32 PolarHBondContact O-N 3.08Å; M30-L32 HydrophobicContact SD-CD2 4.09Å
33G70.9Confident66.3Low44 Ų44137.3 Ų137.345%0.45473%0.729SS.*  trans67.1174.4-178.800000112.4D31 K35D31-G33 PolarHBondContact O-N 2.97Å; D31-G33 WeakPolarHBondContact OD1-CA 3.4Å; D31-G33 PolarHBondContact OD1-N 3.32Å; G33-K35 PolarHBondContact O-N 3.38Å
34K77.4Confident66.3Low204 Ų204136.9 Ų136.989%0.88773%0.732SS**PPolyproline II helixtrans-69.5118.5172.8-64-179.8-175.2175.80108.1V36K34-V36 PolarHBondContact O-N 3.04Å
35K78.9Confident67.1Low203 Ų203140.6 Ų140.688%0.88374%0.737SS**PPolyproline II helixtrans-50.4118.6170.5-69-172.7179.5-173.20108.6G33 S37G33-K35 PolarHBondContact O-N 3.38Å; K35-S37 PolarHBondContact O-N 3.47Å; K35-S37 VanDerWaalsContact O-N 3.14Å
36V68.3Low67.5Low140 Ų140137 Ų13785%0.84872%0.715SS**PPolyproline II helixtrans-61.9118.1174.4-176.20000106.4K34K34-V36 PolarHBondContact O-N 3.04Å
37S76.1Confident68.1Low95 Ų95131.2 Ų131.266%0.66468%0.684SS**PPolyproline II helixtrans-59.3142.1176.856.60000109.2K35K35-S37 PolarHBondContact O-N 3.47Å; K35-S37 VanDerWaalsContact O-N 3.14Å
38I74.1Confident68.8Low147 Ų147128.6 Ų128.675%0.75467%0.671SS**PPolyproline II helixtrans-46.7128.5172.9-59.2164.8000107.9R40I38-R40 PolarHBondContact O-N 2.99Å
39P69.1Low69.2Low108 Ų108125.4 Ų125.470%0.70166%0.656SS**  trans-53.2113.7176.2-21.831.5000108.2D41P39-D41 PolarHBondContact O-N 2.65Å
40R68.8Low69.4Low228 Ų228125.4 Ų125.486%0.8665%0.647SS**  trans-81.6115.7170.9-68-173.9-174.4172.41106.2I38 I42I38-R40 PolarHBondContact O-N 2.99Å; R40-I42 PolarHBondContact O-N 3.16Å
41D71.4Confident69.8Low144 Ų144123.8 Ų123.877%0.7765%0.65SS**  trans-62.2109.7169.7-67.5-26.2000107.4P39 M43P39-D41 PolarHBondContact O-N 2.65Å; D41-M43 PolarHBondContact O-N 2.89Å
42I66.3Low70.4Confident117 Ų117120.4 Ų120.460%0.663%0.632SS**  trans-66.7102.617321169.4000107.1R40R40-I42 PolarHBondContact O-N 3.16Å
43M67.8Low70.9Confident104 Ų104122.8 Ų122.851%0.51263%0.631SS.*  trans-67.5145.1178.2-47.4-173.1-69.400109.5D41 E45 E46 L47D41-M43 PolarHBondContact O-N 2.89Å; M43-E45 WeakPolarHBondContact CB-OE2 3.34Å; M43-E45 PolarHBondContact O-N 2.97Å; M43-E45 VanDerWaalsContact O-N 3.13Å; M43-E46 HydrophobicContact CB-CG 4.49Å; M43-E46 HydrophobicContact CE-CG 4.41Å; M43-E46 WeakPolarHBondContact O-CB 3.34Å; M43-E46 PolarHBondContact O-N 3.27Å; M43-L47 PolarHBondContact O-N 3.38Å
44L64Low71.5Confident135 Ų135122.2 Ų122.271%0.70763%0.625SS**Hα-helixtrans-57-30.4-179-73.6171000111.6E46 L47 S48L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 3.26Å; L44-L47 HydrophobicContact CD2-CD1 4.37Å; L44-L47 PolarHBondContact O-N 3.03Å; L44-S48 PolarHBondContact O-N 3.32Å
45E66.6Low71.8Confident120 Ų120112.6 Ų112.656%0.56158%0.583SS**Hα-helixtrans-60.7-39175.2-59.281.6-17700111.6M43 L47 S48 H49M43-E45 WeakPolarHBondContact CB-OE2 3.34Å; M43-E45 PolarHBondContact O-N 2.97Å; M43-E45 VanDerWaalsContact O-N 3.13Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.37Å; E45-S48 WeakPolarHBondContact O-CB 3.02Å; E45-S48 PolarHBondContact O-N 3.27Å; E45-S48 PolarHBondContact O-OG 3.15Å; E45-H49 PolarHBondContact O-CD2 2.9Å
46E67.3Low72.3Confident88 Ų88110 Ų11041%0.41157%0.568SS.*Hα-helixtrans-71-28.7177.8-61.3-167.2170.800112.6M43 L44 S48M43-E46 HydrophobicContact CB-CG 4.49Å; M43-E46 HydrophobicContact CE-CG 4.41Å; M43-E46 WeakPolarHBondContact O-CB 3.34Å; M43-E46 PolarHBondContact O-N 3.27Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 3.26Å; E46-S48 VanDerWaalsContact C-N 3.27Å; E46-S48 PolarHBondContact O-N 3.12Å
47L65.3Low73.3Confident21 Ų21107.5 Ų107.511%0.1155%0.55CS..Hα-helixtrans-74-18.4175.8-64.5177.2000112.8M43 L44 E45 A55 F58M43-L47 PolarHBondContact O-N 3.38Å; L44-L47 HydrophobicContact CD2-CD1 4.37Å; L44-L47 PolarHBondContact O-N 3.03Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.37Å; L47-A55 WeakPolarHBondContact O-CB 3.22Å; L47-F58 HydrophobicContact CB-CD1 4.12Å; L47-F58 HydrophobicContact CB-CG 4.37Å; L47-F58 HydrophobicContact CD1-CD2 4.04Å; L47-F58 HydrophobicContact CD1-CE2 4.26Å; L47-F58 HydrophobicContact CD1-CG 4.17Å; L47-F58 HydrophobicContact CD2-CB 4.1Å; L47-F58 HydrophobicContact CD2-CG 4.38Å
48S65.9Low73.8Confident66 Ų66107.4 Ų107.446%0.46254%0.537SS..Hα-helixtrans-73.6-33.6176.381.40000112.2L44 E45 E46 L50 K59L44-S48 PolarHBondContact O-N 3.32Å; E45-S48 WeakPolarHBondContact O-CB 3.02Å; E45-S48 PolarHBondContact O-N 3.27Å; E45-S48 PolarHBondContact O-OG 3.15Å; E46-S48 VanDerWaalsContact C-N 3.27Å; E46-S48 PolarHBondContact O-N 3.12Å; S48-L50 PolarHBondContact O-N 3.06Å; S48-K59 PolarHBondContact O-NZ 3.06Å
49H67.4Low74.4Confident118 Ų118103 Ų10355%0.54651%0.513SS..  trans-81.3113.4-176.9-65.9-62.7000111.7E45 S51 A55E45-H49 PolarHBondContact O-CD2 2.9Å; H49-S51 PolarHBondContact O-N 3.23Å; H49-A55 WeakPolarHBondContact O-CB 3.49Å
50L63.4Low75.4Confident108 Ų108101.4 Ų101.457%0.56550%0.497SS*.THydrogen-bonded Turntrans-662.5-178.9-79.1126000115.3S48 K59S48-L50 PolarHBondContact O-N 3.06Å; L50-K59 HydrophobicContact CD1-CD 4.47Å; L50-K59 HydrophobicContact CD2-CD 4.02Å; L50-K59 HydrophobicContact CG-CD 4.1Å
51S74.2Confident76.5Confident113 Ų11399.7 Ų99.779%0.7949%0.49SS*.THydrogen-bonded Turntrans-73.1-30.8-178.4550000112.9H49H49-S51 PolarHBondContact O-N 3.23Å
52N81.1Confident77.2Confident79 Ų7997.4 Ų97.442%0.42248%0.475SS..SBendtrans-93141.4-179.7-171.7-26.8000111.8G54 A55 R56N52-G54 PolarHBondContact O-N 3.42Å; N52-G54 PolarHBondContact OD1-N 3.09Å; N52-A55 HydrophobicContact CB-CB 4.45Å; N52-A55 PolarHBondContact O-N 3.28Å; N52-R56 PolarHBondContact O-N 3.03Å; N52-R56 VanDerWaalsContact O-N 3.14Å
53R83.8Confident78.3Confident197 Ų197100.2 Ų100.274%0.74348%0.478SS*.Hα-helixtrans-52.9-38.8170.6-174.3-178.7-179.1-156.30.9112.1R56 L57R53-R56 PolarHBondContact O-N 2.81Å; R53-L57 HydrophobicContact CG-CD1 4.21Å; R53-L57 WeakPolarHBondContact O-CG 3.18Å; R53-L57 PolarHBondContact O-N 3.21Å
54G84.4Confident79.5Confident32 Ų32103.1 Ų103.133%0.3348%0.483SS..Hα-helixtrans-59.1-48.9176.900000112.6N52 R56 L57 F58N52-G54 PolarHBondContact O-N 3.42Å; N52-G54 PolarHBondContact OD1-N 3.09Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 3.49Å; G54-L57 PolarHBondContact O-N 3.09Å; G54-F58 PolarHBondContact O-N 3.34Å
55A84.6Confident80.6Confident1 Ų199.7 Ų99.71%0.00847%0.47CS..Hα-helixtrans-61.7-38.9176.500000112.7L47 H49 N52 F58 K59L47-A55 WeakPolarHBondContact O-CB 3.22Å; H49-A55 WeakPolarHBondContact O-CB 3.49Å; N52-A55 HydrophobicContact CB-CB 4.45Å; N52-A55 PolarHBondContact O-N 3.28Å; A55-F58 PolarHBondContact O-N 3.09Å; A55-K59 PolarHBondContact O-N 3.41Å
56R87.6Confident81.5Confident149 Ų14997.7 Ų97.756%0.56246%0.464SS*.Hα-helixtrans-64.1-42.9174.9-69.3174.860.9-178.80.1112.3N52 R53 G54 M60N52-R56 PolarHBondContact O-N 3.03Å; N52-R56 VanDerWaalsContact O-N 3.14Å; R53-R56 PolarHBondContact O-N 2.81Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 3.49Å; R56-M60 WeakPolarHBondContact O-CG 3.19Å; R56-M60 PolarHBondContact O-N 3.23Å
57L89.8Confident82.3Confident88 Ų88100.6 Ų100.646%0.46148%0.475SS..Hα-helixtrans-66.1-39.1177-73.1171000111.8R53 G54 M60 R61R53-L57 HydrophobicContact CG-CD1 4.21Å; R53-L57 WeakPolarHBondContact O-CG 3.18Å; R53-L57 PolarHBondContact O-N 3.21Å; G54-L57 PolarHBondContact O-N 3.09Å; L57-M60 HydrophobicContact CD2-CE 3.89Å; L57-M60 PolarHBondContact O-N 2.98Å; L57-R61 WeakPolarHBondContact O-CB 3.4Å; L57-R61 PolarHBondContact O-N 2.71Å
58F87.4Confident83.1Confident92 Ų92108 Ų10840%0.40450%0.502SS..Hα-helixtrans-59.6-51.1174.4179.2-101.5000111.6L47 G54 A55 M60 R61 Q62L47-F58 HydrophobicContact CB-CD1 4.12Å; L47-F58 HydrophobicContact CB-CG 4.37Å; L47-F58 HydrophobicContact CD1-CD2 4.04Å; L47-F58 HydrophobicContact CD1-CE2 4.26Å; L47-F58 HydrophobicContact CD1-CG 4.17Å; L47-F58 HydrophobicContact CD2-CB 4.1Å; L47-F58 HydrophobicContact CD2-CG 4.38Å; G54-F58 PolarHBondContact O-N 3.34Å; A55-F58 PolarHBondContact O-N 3.09Å; F58-M60 VanDerWaalsContact C-N 3.33Å; F58-M60 PolarHBondContact O-N 3.21Å; F58-R61 WeakPolarHBondContact O-CB 3.49Å; F58-R61 PolarHBondContact O-N 3.26Å; F58-R61 VanDerWaalsContact O-N 3.09Å; F58-Q62 PolarHBondContact O-N 3.03Å
59K86.5Confident83.7Confident56 Ų56108 Ų10824%0.24350%0.5CS..Hα-helixtrans-62-37.6176.6-70.3-173.1-176.2-176.20113S48 L50 A55 Q62 R63S48-K59 PolarHBondContact O-NZ 3.06Å; L50-K59 HydrophobicContact CD1-CD 4.47Å; L50-K59 HydrophobicContact CD2-CD 4.02Å; L50-K59 HydrophobicContact CG-CD 4.1Å; A55-K59 PolarHBondContact O-N 3.41Å; K59-Q62 PolarHBondContact O-N 2.85Å; K59-R63 WeakPolarHBondContact O-CG 3.42Å; K59-R63 PolarHBondContact O-N 3.15Å
60M90.5Very high83.4Confident74 Ų74110 Ų11037%0.36551%0.508SS..Hα-helixtrans-65.1-39.8173.6-79-170.2-84.400112.2R56 L57 F58 R64R56-M60 WeakPolarHBondContact O-CG 3.19Å; R56-M60 PolarHBondContact O-N 3.23Å; L57-M60 HydrophobicContact CD2-CE 3.89Å; L57-M60 PolarHBondContact O-N 2.98Å; F58-M60 VanDerWaalsContact C-N 3.33Å; F58-M60 PolarHBondContact O-N 3.21Å; M60-R64 VanDerWaalsContact O-CG 3.29Å; M60-R64 WeakPolarHBondContact O-CG 3.27Å; M60-R64 PolarHBondContact O-N 3.27Å
61R91.8Very high83.3Confident191 Ų191111.4 Ų111.472%0.72151%0.511SS*.Hα-helixtrans-65.6-41.8175.7-174.5176.4-67.6-179.8-1.9111.1L57 F58 R64 S65L57-R61 WeakPolarHBondContact O-CB 3.4Å; L57-R61 PolarHBondContact O-N 2.71Å; F58-R61 WeakPolarHBondContact O-CB 3.49Å; F58-R61 PolarHBondContact O-N 3.26Å; F58-R61 VanDerWaalsContact O-N 3.09Å; R61-R64 PolarHBondContact O-N 3.07Å; R61-S65 WeakPolarHBondContact O-CB 3.18Å; R61-S65 PolarHBondContact O-N 3.48Å
62Q86.5Confident82.5Confident97 Ų97111.9 Ų111.945%0.45351%0.505SS..Hα-helixtrans-57.3-54.2174.3-169.6174.813.100110.8F58 K59 R64 S65 D66F58-Q62 PolarHBondContact O-N 3.03Å; K59-Q62 PolarHBondContact O-N 2.85Å; Q62-R64 VanDerWaalsContact C-N 3.27Å; Q62-R64 PolarHBondContact O-N 3.15Å; Q62-S65 CarbonylContact O-C 3.57Å; Q62-S65 WeakPolarHBondContact O-CA 3.09Å; Q62-S65 VanDerWaalsContact O-CB 3.25Å; Q62-S65 WeakPolarHBondContact O-CB 3.43Å; Q62-S65 PolarHBondContact O-N 3.12Å; Q62-D66 PolarHBondContact O-N 2.98Å
63R88.4Confident81.2Confident176 Ų176117.1 Ų117.166%0.66452%0.524SS*.Hα-helixtrans-58.2-36.3177.1-68.9-178.6-162.5165.11.9113.9K59 K67K59-R63 WeakPolarHBondContact O-CG 3.42Å; K59-R63 PolarHBondContact O-N 3.15Å; R63-K67 PolarHBondContact O-N 3.03Å; R63-K67 VanDerWaalsContact O-N 3.17Å
64R92.7Very high79.6Confident165 Ų165111.3 Ų111.362%0.62351%0.505SS*.Hα-helixtrans-68-39.7175-73175.2-164.5166.63.6111.1M60 R61 Q62 K67 Y68M60-R64 VanDerWaalsContact O-CG 3.29Å; M60-R64 WeakPolarHBondContact O-CG 3.27Å; M60-R64 PolarHBondContact O-N 3.27Å; R61-R64 PolarHBondContact O-N 3.07Å; Q62-R64 VanDerWaalsContact C-N 3.27Å; Q62-R64 PolarHBondContact O-N 3.15Å; R64-K67 WeakPolarHBondContact O-CB 3.36Å; R64-K67 PolarHBondContact O-N 2.69Å; R64-Y68 WeakPolarHBondContact O-CD2 3.49Å
65S87.6Confident78.1Confident62 Ų62117.5 Ų117.543%0.43452%0.52SS..Hα-helixtrans-61.4-53.1174.5-167.40000110R61 Q62 K67 Y68 T69R61-S65 WeakPolarHBondContact O-CB 3.18Å; R61-S65 PolarHBondContact O-N 3.48Å; Q62-S65 CarbonylContact O-C 3.57Å; Q62-S65 WeakPolarHBondContact O-CA 3.09Å; Q62-S65 VanDerWaalsContact O-CB 3.25Å; Q62-S65 WeakPolarHBondContact O-CB 3.43Å; Q62-S65 PolarHBondContact O-N 3.12Å; S65-K67 PolarHBondContact O-N 3.17Å; S65-K67 VanDerWaalsContact O-N 3.08Å; S65-Y68 CarbonylContact O-C 3.6Å; S65-Y68 PolarHBondContact O-N 3.27Å; S65-T69 WeakPolarHBondContact O-CG2 3.15Å; S65-T69 PolarHBondContact O-N 3.26Å; S65-T69 PolarHBondContact O-OG1 3.21Å
66D85.4Confident76.4Confident78 Ų78125.3 Ų125.342%0.41756%0.556SS.*Hα-helixtrans-57.1-30.7-178.4-56.9-18.7000112.5Q62 Y68 T69Q62-D66 PolarHBondContact O-N 2.98Å; D66-Y68 VanDerWaalsContact C-N 3.29Å; D66-Y68 PolarHBondContact O-N 3.27Å; D66-T69 WeakPolarHBondContact CA-OG1 3.35Å
67K84.9Confident74.7Confident150 Ų150120.8 Ų120.865%0.65255%0.547SS*.Hα-helixtrans-64.6-31175.9-175.6178.9176.4-162.90113.3R63 R64 S65R63-K67 PolarHBondContact O-N 3.03Å; R63-K67 VanDerWaalsContact O-N 3.17Å; R64-K67 WeakPolarHBondContact O-CB 3.36Å; R64-K67 PolarHBondContact O-N 2.69Å; S65-K67 PolarHBondContact O-N 3.17Å; S65-K67 VanDerWaalsContact O-N 3.08Å
68Y81.4Confident72.9Confident175 Ų175123.3 Ų123.369%0.68655%0.551SS**Hα-helixtrans-115.6-8.6-173.2-55.9-65.7000113.4R64 S65 D66R64-Y68 WeakPolarHBondContact O-CD2 3.49Å; S65-Y68 CarbonylContact O-C 3.6Å; S65-Y68 PolarHBondContact O-N 3.27Å; D66-Y68 VanDerWaalsContact C-N 3.29Å; D66-Y68 PolarHBondContact O-N 3.27Å
69T78.4Confident71.5Confident66 Ų66122.1 Ų122.141%0.40556%0.558SS.*  trans-90.1109.4170.153.10000109.6S65 D66 E71S65-T69 WeakPolarHBondContact O-CG2 3.15Å; S65-T69 PolarHBondContact O-N 3.26Å; S65-T69 PolarHBondContact O-OG1 3.21Å; D66-T69 WeakPolarHBondContact CA-OG1 3.35Å; T69-E71 PolarHBondContact O-N 2.71Å; T69-E71 VanDerWaalsContact O-N 3.15Å
70F60.4Low70.1Confident162 Ų162126.3 Ų126.371%0.71158%0.578SS**G310 helixtrans-69.7-3.9-178.4-177.3-104.4000114.3N72F70-N72 PolarHBondContact O-N 3.38Å
71E62.2Low68.5Low137 Ų137126.6 Ų126.664%0.6458%0.58SS**G310 helixtrans-86.24.8-164.7-62.6-161.5155.400116.6T69T69-E71 PolarHBondContact O-N 2.71Å; T69-E71 VanDerWaalsContact O-N 3.15Å
72N56.8Low66.7Low123 Ų123122.6 Ų122.666%0.65857%0.573SS**G310 helixtrans-95.3-0.5-169.2-142.735.1000117F70F70-N72 PolarHBondContact O-N 3.38Å
73F54.7Low65.3Low188 Ų188124.1 Ų124.183%0.82558%0.58SS**THydrogen-bonded Turntrans-119.9-15178.1-69.9-76.5000115
74Q49.8Very low63.7Low75 Ų75118.6 Ų118.635%0.3557%0.569SS.*THydrogen-bonded Turntrans-102.3-20.1-172.8-71.2-179.7-9.100114R78Q74-R78 WeakPolarHBondContact O-CB 3.41Å; Q74-R78 WeakPolarHBondContact O-CD 3.46Å; Q74-R78 WeakPolarHBondContact O-CG 3.44Å; Q74-R78 PolarHBondContact O-N 2.99Å
75Y52.3Low62Low163 Ų163115 Ų11564%0.63956%0.561SS**Hα-helixtrans-72.1-43.2-177-103-87000113.1A79Y75-A79 PolarHBondContact O-N 2.86Å
76E49.2Very low60.3Low164 Ų164115.7 Ų115.777%0.76657%0.57SS**Hα-helixtrans-72-39.8178.6-65.1-173.1170.200112.3A79 Q80E76-A79 PolarHBondContact O-N 3.03Å; E76-Q80 PolarHBondContact O-N 3.06Å
77S52.7Low58.6Low54 Ų54118.9 Ų118.938%0.37858%0.584SS.*Hα-helixtrans-66.3-40.6176.3173.30000112.4Q80 I81S77-Q80 PolarHBondContact O-N 2.99Å; S77-I81 WeakPolarHBondContact O-CB 3.41Å; S77-I81 VanDerWaalsContact O-CG1 3.28Å; S77-I81 WeakPolarHBondContact O-CG1 3.12Å; S77-I81 PolarHBondContact O-N 2.74Å; S77-I81 WeakPolarHBondContact OG-CD1 3.24Å
78R51.9Low56.9Low142 Ų142119.4 Ų119.454%0.53659%0.589SS.*Hα-helixtrans-67.9-34.7177.6-75.8172.9163.7175-3.6112.6Q74 Q80 N82Q74-R78 WeakPolarHBondContact O-CB 3.41Å; Q74-R78 WeakPolarHBondContact O-CD 3.46Å; Q74-R78 WeakPolarHBondContact O-CG 3.44Å; Q74-R78 PolarHBondContact O-N 2.99Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-N82 VanDerWaalsContact O-CB 3.24Å; R78-N82 WeakPolarHBondContact O-CB 3.35Å; R78-N82 PolarHBondContact O-N 3.49Å; R78-N82 PolarHBondContact O-ND2 2.98Å; R78-N82 VanDerWaalsContact O-ND2 3.11Å
79A57.3Low55.2Low66 Ų66118 Ų11855%0.54559%0.593SS.*Hα-helixtrans-63.1-40.5174.700000112Y75 E76 H83Y75-A79 PolarHBondContact O-N 2.86Å; E76-A79 PolarHBondContact O-N 3.03Å; A79-H83 PolarHBondContact O-N 3.03Å
80Q56.1Low53.6Low145 Ų145118 Ų11868%0.67861%0.606SS**Hα-helixtrans-71.5-41.7177.1-71.8171.5-8.100112.7E76 S77 R78 H83 S84E76-Q80 PolarHBondContact O-N 3.06Å; S77-Q80 PolarHBondContact O-N 2.99Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-H83 PolarHBondContact O-N 2.92Å; Q80-S84 PolarHBondContact O-N 3.02Å
81I57.5Low52.4Low79 Ų79119.3 Ų119.341%0.40561%0.612SS.*Hα-helixtrans-67.2-39177.6-68.9165.9000111.4S77 H83 S84 I85S77-I81 WeakPolarHBondContact O-CB 3.41Å; S77-I81 VanDerWaalsContact O-CG1 3.28Å; S77-I81 WeakPolarHBondContact O-CG1 3.12Å; S77-I81 PolarHBondContact O-N 2.74Å; S77-I81 WeakPolarHBondContact OG-CD1 3.24Å; I81-H83 VanDerWaalsContact C-N 3.29Å; I81-H83 PolarHBondContact O-N 3.19Å; I81-S84 PolarHBondContact O-N 3.44Å; I81-S84 PolarHBondContact O-OG 3.03Å; I81-I85 HydrophobicContact CG2-CD1 3.68Å; I81-I85 HydrophobicContact CG2-CG1 4.23Å; I81-I85 WeakPolarHBondContact O-CG1 3.25Å; I81-I85 PolarHBondContact O-N 3.42Å
82N54.9Low51.2Low107 Ų107118.7 Ų118.757%0.57262%0.617SS**Hα-helixtrans-66.4-33.4178-72.2-22.9000112R78 A86R78-N82 VanDerWaalsContact O-CB 3.24Å; R78-N82 WeakPolarHBondContact O-CB 3.35Å; R78-N82 PolarHBondContact O-N 3.49Å; R78-N82 PolarHBondContact O-ND2 2.98Å; R78-N82 VanDerWaalsContact O-ND2 3.11Å; N82-A86 WeakPolarHBondContact O-CB 3.49Å; N82-A86 PolarHBondContact O-N 2.93Å
83H57Low50.1Low129 Ų129120.2 Ų120.260%0.59763%0.625SS**Hα-helixtrans-71.8-33.1175.6-165.9-75.4000112.7A79 Q80 I81A79-H83 PolarHBondContact O-N 3.03Å; Q80-H83 PolarHBondContact O-N 2.92Å; I81-H83 VanDerWaalsContact C-N 3.29Å; I81-H83 PolarHBondContact O-N 3.19Å
84S54.3Low49.2Very low61 Ų61114.6 Ų114.643%0.42762%0.621SS.*Hα-helixtrans-77.4-37177.263.30000113Q80 I81 M87Q80-S84 PolarHBondContact O-N 3.02Å; I81-S84 PolarHBondContact O-N 3.44Å; I81-S84 PolarHBondContact O-OG 3.03Å; S84-M87 PolarHBondContact O-N 3.4Å
85I56.2Low48.2Very low90 Ų90117.3 Ų117.346%0.46265%0.648SS.*Hα-helixtrans-69-35.2177-66.9-179.6000111.6I81 M87 Q88I81-I85 HydrophobicContact CG2-CD1 3.68Å; I81-I85 HydrophobicContact CG2-CG1 4.23Å; I81-I85 WeakPolarHBondContact O-CG1 3.25Å; I81-I85 PolarHBondContact O-N 3.42Å; I85-M87 PolarHBondContact O-N 3.1Å; I85-Q88 PolarHBondContact O-N 3.49Å
86A52Low47.5Very low76 Ų76116.3 Ų116.363%0.62865%0.653SS**Hα-helixtrans-63.5-24.717600000113.4N82N82-A86 WeakPolarHBondContact O-CB 3.49Å; N82-A86 PolarHBondContact O-N 2.93Å
87M50.4Low46.9Very low145 Ų145116.8 Ų116.871%0.71466%0.66SS**THydrogen-bonded Turntrans-90.5-7.9179.7-67.5-70.417900114S84 I85S84-M87 PolarHBondContact O-N 3.4Å; I85-M87 PolarHBondContact O-N 3.1Å
88Q49.5Very low46Very low161 Ų161122.6 Ų122.675%0.75268%0.681SS**THydrogen-bonded Turntrans-108.3-8.4-177.2-74.3-168.36.600115.2I85 G90I85-Q88 PolarHBondContact O-N 3.49Å; Q88-G90 PolarHBondContact O-N 2.91Å
89N44.7Very low45Very low145 Ų145119.8 Ų119.878%0.77570%0.697SS**  trans-81.952.7176.7-76.5-38.7000113.2
90G45Very low43.6Very low65 Ų65119.9 Ų119.967%0.6770%0.704SS**  trans-139.936.5177.400000112.9Q88Q88-G90 PolarHBondContact O-N 2.91Å
91K36.8Very low42.7Very low191 Ų191118.9 Ų118.983%0.8371%0.713SS**  trans-168101.8166.1-125.2139.7157.1177.20114.2
92V36.3Very low41.7Very low123 Ų123124.2 Ų124.275%0.74574%0.736SS**  44.9129.3128.6-167.70000121.2
93D33.5Very low40.8Very low155 Ų155128.2 Ų128.283%0.82975%0.752SS**  trans80.2114.9148.6-69.8-14.9000124.6
94G35.1Very low39.9Very low71 Ų71126.2 Ų126.273%0.73276%0.758SS**  trans16.2126.6138.100000121.5
95S30.8Very low39.2Very low132 Ų132128.8 Ų128.892%0.92377%0.773SS**  177.7156.3122.4380000112.1
96N36.1Very low38.8Very low141 Ų141133.1 Ų133.175%0.75480%0.796SS**  trans-66.4142.9-173.1-164.5-15.2000113.3
97L36.3Very low38.4Very low174 Ų174134.9 Ų134.991%0.91180%0.799SS**  trans-158.6124.8150.4-115.3134.9000113
98E34.3Very low38.2Very low176 Ų176132.9 Ų132.982%0.82280%0.797SS**  trans-73.9155.2176.9-138.5168.1157.100111.8
99G31.1Very low38Very low84 Ų84130.9 Ų130.987%0.86680%0.798SS**  trans104.8107.9153.800000116.9
100G28.9Very low38.3Very low67 Ų67131.4 Ų131.469%0.69180%0.801SS**  trans-18072.6169.800000112.7Q102G100-Q102 PolarHBondContact O-N 3.42Å; G100-Q102 VanDerWaalsContact O-N 3.16Å
101S35.6Very low38.7Very low124 Ų124134 Ų13487%0.86780%0.803SS**  trans-53.3110.4175.6-5.50000111.4Q103S101-Q103 PolarHBondContact O-N 3.05Å
102Q36.7Very low39.6Very low192 Ų192130.2 Ų130.290%0.89780%0.799SS**  trans-76.2112.6169.4-65.3-167.36.500108.9G100 A104G100-Q102 PolarHBondContact O-N 3.42Å; G100-Q102 VanDerWaalsContact O-N 3.16Å; Q102-A104 PolarHBondContact O-N 3.37Å
103Q36.7Very low40.5Very low191 Ų191129 Ų12989%0.89379%0.788SS**PPolyproline II helixtrans-57119.6169.6-82.8172.4-17.100109.9S101S101-Q103 PolarHBondContact O-N 3.05Å
104A38.8Very low41.6Very low87 Ų87127.6 Ų127.672%0.71979%0.787SS**PPolyproline II helixtrans-68133.7167.900000109.8Q102 L106Q102-A104 PolarHBondContact O-N 3.37Å; A104-L106 PolarHBondContact O-N 3.24Å
105P38.9Very low42.5Very low115 Ų115134.8 Ų134.875%0.74779%0.792SS**PPolyproline II helixtrans-67.2119.4172.7-17.530.5000110.8T107P105-T107 VanDerWaalsContact C-N 3.33Å; P105-T107 PolarHBondContact O-N 3.42Å
106L46.9Very low43.7Very low181 Ų181132.3 Ų132.395%0.94878%0.775SS**  trans-6988.4166.6-73.5161.2000109A104A104-L106 PolarHBondContact O-N 3.24Å
107T44.4Very low44.6Very low112 Ų112131 Ų13169%0.68777%0.774SS**  trans-129134.216447.60000109.2P105P105-T107 VanDerWaalsContact C-N 3.33Å; P105-T107 PolarHBondContact O-N 3.42Å
108P45.5Very low45.4Very low103 Ų103128.9 Ų128.967%0.66977%0.771SS**  trans-64.4145.6-178.2-8.419.7000110.8N110P108-N110 PolarHBondContact O-N 3.26Å
109P46.1Very low46.4Very low119 Ų119125 Ų12577%0.77376%0.756SS**  trans-71.498.5178.729.2-31.8000109.7T111P109-T111 PolarHBondContact O-N 3.38Å; P109-T111 VanDerWaalsContact O-N 3.14Å
110N51.4Low47.8Very low157 Ų157126.3 Ų126.384%0.8475%0.749SS**  trans-82.542.2170.1-90.1-47.2000111.7P108P108-N110 PolarHBondContact O-N 3.26Å
111T53.1Low49.1Very low118 Ų118130.3 Ų130.372%0.72475%0.75SS**  trans-112.8109.6178.5-31.60000108.5P109 D113P109-T111 PolarHBondContact O-N 3.38Å; P109-T111 VanDerWaalsContact O-N 3.14Å; T111-D113 PolarHBondContact O-N 2.91Å
112P55.3Low50.3Low113 Ų113131.1 Ų131.173%0.73474%0.744SS**  trans-59.8137.6171.7-16.228.8000109.2
113D55.4Low51.3Low96 Ų96125.9 Ų125.951%0.51372%0.722SS.*  trans-53.5122.7179.8-173.5-18000110.8T111 R115 S116T111-D113 PolarHBondContact O-N 2.91Å; D113-R115 PolarHBondContact O-N 3.37Å; D113-R115 PolarHBondContact OD1-N 2.8Å; D113-R115 VanDerWaalsContact OD1-N 3.16Å; D113-S116 PolarHBondContact O-N 2.91Å
114P56.2Low52Low127 Ų127119.6 Ų119.683%0.82570%0.702SS**THydrogen-bonded Turntrans-65.8-1.8-176.227.2-36.3000114.5
115R55.1Low52.8Low221 Ų221122 Ų12283%0.83471%0.711SS**THydrogen-bonded Turntrans-86.6-7.9174.8-74.5-167.9161.388.70.3115.1D113D113-R115 PolarHBondContact O-N 3.37Å; D113-R115 PolarHBondContact OD1-N 2.8Å; D113-R115 VanDerWaalsContact OD1-N 3.16Å
116S55.7Low53.6Low81 Ų81120.4 Ų120.457%0.56672%0.715SS**SBendtrans-90.5129.9-178.1-520000110.8D113D113-S116 PolarHBondContact O-N 2.91Å
117P54.5Low53.9Low112 Ų112120.4 Ų120.473%0.72770%0.703SS**  trans-60.9138.9174.824.8-31.9000110N119P117-N119 PolarHBondContact O-N 3.31Å
118P53.8Low54.6Low130 Ų130120.7 Ų120.784%0.84471%0.71SS**  trans-65107179.524-30.1000109.3
119N55Low55.4Low95 Ų95117.3 Ų117.351%0.50869%0.694SS.*  trans-85121173.1-175.6-12.2000108.3P117 E121 N122P117-N119 PolarHBondContact O-N 3.31Å; N119-E121 PolarHBondContact O-N 2.73Å; N119-E121 PolarHBondContact OD1-N 2.87Å; N119-E121 VanDerWaalsContact OD1-N 3.16Å; N119-N122 HydrophobicContact CB-CB 4.39Å; N119-N122 PolarHBondContact O-N 3.11Å
120P59.3Low56.1Low111 Ų111116.5 Ų116.572%0.72169%0.689SS**THydrogen-bonded Turntrans-62.4-12.2-178.526.5-36.3000114.3
121E56.6Low56.5Low151 Ų151115.3 Ų115.371%0.70668%0.682SS**THydrogen-bonded Turntrans-89.4-10.2177.7-63.9-72.4149.400113.3N119 I123N119-E121 PolarHBondContact O-N 2.73Å; N119-E121 PolarHBondContact OD1-N 2.87Å; N119-E121 VanDerWaalsContact OD1-N 3.16Å; E121-I123 PolarHBondContact O-N 3.25Å
122N61.6Low56.8Low141 Ų141118.4 Ų118.475%0.75469%0.685SS**  trans-104.275.8-173.6-133.315.5000111N119N119-N122 HydrophobicContact CB-CB 4.39Å; N119-N122 PolarHBondContact O-N 3.11Å
123I57.9Low56.9Low83 Ų83121.7 Ų121.743%0.42669%0.691SS.*PPolyproline II helixtrans-87.4151.8175.6-58163.6000109.2E121 Y127E121-I123 PolarHBondContact O-N 3.25Å; I123-Y127 HydrophobicContact CG2-CG 4.39Å
124A51.2Low57Low59 Ų59122.2 Ų122.249%0.48869%0.692SS.*PPolyproline II helixtrans-48.5141.3179.600000113G126 Y127A124-G126 PolarHBondContact O-N 3.31Å; A124-G126 VanDerWaalsContact O-N 3.08Å; A124-Y127 PolarHBondContact O-N 3.18Å
125P54.1Low57.4Low138 Ų138121 Ų12190%0.89668%0.684SS**THydrogen-bonded Turntrans-53.6117.6178.1-22.931.7000110.9
126G56.1Low57.8Low80 Ų80115.9 Ų115.983%0.82568%0.68SS**THydrogen-bonded Turntrans119-7.8-179.300000115.5A124A124-G126 PolarHBondContact O-N 3.31Å; A124-G126 VanDerWaalsContact O-N 3.08Å
127Y52.8Low58.1Low181 Ų181118.9 Ų118.971%0.7169%0.685SS**  trans-110.1113.2170.8-70.8-92.2000109.6I123 A124I123-Y127 HydrophobicContact CG2-CG 4.39Å; A124-Y127 PolarHBondContact O-N 3.18Å
128S59.6Low58.5Low118 Ų118122.9 Ų122.983%0.82569%0.691SS**  trans-61.5139.3162.3-170.90000107.6
129G62.6Low58.3Low33 Ų33124.1 Ų124.134%0.3468%0.683SS.*  trans-54.5176.1-175.600000114.2L131G129-L131 PolarHBondContact O-N 3.11Å; G129-L131 VanDerWaalsContact O-N 3.13Å
130P61.7Low58.2Low102 Ų102125.3 Ų125.366%0.66269%0.689SS**SBendtrans-49.6127.1-179.9-7.110.6000109.4K132P130-K132 PolarHBondContact O-N 3.45Å
131L60Low57.8Low131 Ų131125.7 Ų125.769%0.68669%0.69SS**  trans-60.977.1-175.1-71.8155.1000110.7G129 E133 I134G129-L131 PolarHBondContact O-N 3.11Å; G129-L131 VanDerWaalsContact O-N 3.13Å; L131-E133 PolarHBondContact O-N 2.91Å; L131-I134 HydrophobicContact CB-CD1 4.1Å; L131-I134 HydrophobicContact CB-CG1 4.14Å; L131-I134 HydrophobicContact CD1-CD1 3.81Å; L131-I134 HydrophobicContact CD2-CD1 3.9Å; L131-I134 HydrophobicContact CD2-CG1 4.23Å; L131-I134 HydrophobicContact CG-CD1 4.14Å
132K57.5Low57.6Low184 Ų184124.7 Ų124.780%0.870%0.695SS**THydrogen-bonded Turntrans-67.7-17177.4-89.2176.6174.7169.50112.3P130P130-K132 PolarHBondContact O-N 3.45Å
133E58.3Low57Low181 Ų181121.7 Ų121.785%0.84669%0.689SS**THydrogen-bonded Turntrans-99.9-9.2-174.3-64.7-170.5177.200114.5L131 P135L131-E133 PolarHBondContact O-N 2.91Å; E133-P135 WeakPolarHBondContact O-CD 3.36Å
134I57.7Low56.9Low107 Ų107122.8 Ų122.855%0.54970%0.699SS.*SBendtrans-84.4106.5171.2-57.2-177.5000106.4L131L131-I134 HydrophobicContact CB-CD1 4.1Å; L131-I134 HydrophobicContact CB-CG1 4.14Å; L131-I134 HydrophobicContact CD1-CD1 3.81Å; L131-I134 HydrophobicContact CD2-CD1 3.9Å; L131-I134 HydrophobicContact CD2-CG1 4.23Å; L131-I134 HydrophobicContact CG-CD1 4.14Å
135P64.4Low57.1Low101 Ų101125 Ų12566%0.65671%0.709SS**  trans-55.2137171.323.1-30.9000107.3E133 E137E133-P135 WeakPolarHBondContact O-CD 3.36Å; P135-E137 PolarHBondContact O-N 3.21Å
136P63.2Low57.5Low114 Ų114128 Ų12874%0.7471%0.708SS**  trans-51.3116.917921.5-32.1000107.1K138P136-K138 PolarHBondContact O-N 2.99Å
137E61.5Low58.1Low145 Ų145132.7 Ų132.768%0.67870%0.702SS**  trans-51.3109.5177.8-176176.8178.800105.8P135 F139P135-E137 PolarHBondContact O-N 3.21Å; E137-F139 HydrophobicContact CB-CD2 4.21Å; E137-F139 HydrophobicContact CB-CE2 4.32Å; E137-F139 VanDerWaalsContact CD-CE2 3.46Å; E137-F139 HydrophobicContact CG-CD2 3.96Å; E137-F139 HydrophobicContact CG-CE2 3.97Å; E137-F139 PolarHBondContact O-N 3.39Å; E137-F139 WeakPolarHBondContact OE2-CE2 3.49Å
138K62.5Low59.1Low196 Ų196133.2 Ų133.285%0.85270%0.704SS**  trans-70.376.3175.7-68.3-172.9-178.7-178.60106P136 N140P136-K138 PolarHBondContact O-N 2.99Å; K138-N140 PolarHBondContact O-N 3.41Å
139F51.6Low59.6Low156 Ų156132.1 Ų132.168%0.68469%0.686SS**  trans-48.3118.1163.8-94-89.3000106E137 T141E137-F139 HydrophobicContact CB-CD2 4.21Å; E137-F139 HydrophobicContact CB-CE2 4.32Å; E137-F139 VanDerWaalsContact CD-CE2 3.46Å; E137-F139 HydrophobicContact CG-CD2 3.96Å; E137-F139 HydrophobicContact CG-CE2 3.97Å; E137-F139 PolarHBondContact O-N 3.39Å; E137-F139 WeakPolarHBondContact OE2-CE2 3.49Å; F139-T141 PolarHBondContact O-N 3.31Å
140N51.3Low60.3Low119 Ų119132.1 Ų132.164%0.63668%0.68SS**  trans-40.5106.1-170.6-60.6-63.1000111.7K138 T142 A143K138-N140 PolarHBondContact O-N 3.41Å; N140-T142 PolarHBondContact O-N 3.28Å; N140-A143 WeakPolarHBondContact O-CB 3.07Å; N140-A143 PolarHBondContact O-N 2.96Å
141T50.7Low61.2Low120 Ų120131 Ų13174%0.73667%0.673SS**G310 helixtrans-62.3-8.9171.9-500000111.9F139 A143F139-T141 PolarHBondContact O-N 3.31Å; T141-A143 VanDerWaalsContact C-N 3.29Å
142T52.9Low62Low130 Ų130132.8 Ų132.880%0.79867%0.671SS**G310 helixtrans-80.5-3.7171.6460000114.2N140N140-T142 PolarHBondContact O-N 3.28Å
143A48.4Very low63Low77 Ų77126.9 Ų126.964%0.63665%0.646SS**G310 helixtrans-96.912.1174.100000113.4N140 T141 P145N140-A143 WeakPolarHBondContact O-CB 3.07Å; N140-A143 PolarHBondContact O-N 2.96Å; T141-A143 VanDerWaalsContact C-N 3.29Å; A143-P145 WeakPolarHBondContact O-CD 3.49Å
144V57.3Low64Low106 Ų106124.3 Ų124.364%0.64263%0.634SS**SBendtrans-69.7108.9161.1-177.50000105.1K146V144-K146 PolarHBondContact O-N 3.25Å
145P54.5Low65Low105 Ų105122.4 Ų122.468%0.68263%0.634SS**  trans-54.4138.2172.4-13.528.6000106.1A143 Y147A143-P145 WeakPolarHBondContact O-CD 3.49Å; P145-Y147 WeakPolarHBondContact O-CA 3.28Å; P145-Y147 PolarHBondContact O-N 3.01Å
146K62.9Low65.9Low202 Ų202118.9 Ų118.988%0.87861%0.61SS**  trans-40.4113.1163.7-71.9178.9178.5-1800105.7V144 Y148V144-K146 PolarHBondContact O-N 3.25Å; K146-Y148 PolarHBondContact O-N 3.35Å
147Y69.1Low66.5Low179 Ų179116.3 Ų116.370%0.70259%0.594SS**  trans-50.9138.5-169.542.8-88.5000107.5P145 Q149P145-Y147 WeakPolarHBondContact O-CA 3.28Å; P145-Y147 PolarHBondContact O-N 3.01Å; Y147-Q149 PolarHBondContact O-N 3.15Å
148Y72.9Confident67.4Low191 Ų191115.8 Ų115.875%0.74960%0.596SS**  trans-53.2113.1171.5168-98.4000107.3K146 P151K146-Y148 PolarHBondContact O-N 3.35Å; Y148-P151 WeakPolarHBondContact OH-CD 3.49Å
149Q71.1Confident68.5Low96 Ų96110.4 Ų110.445%0.44958%0.577SS.*  trans-89.9119.9173.6-163.8174.85.300106.9Y147 P151 E153Y147-Q149 PolarHBondContact O-N 3.15Å; Q149-P151 WeakPolarHBondContact O-CD 3.06Å; Q149-E153 WeakPolarHBondContact CG-OE2 3.43Å; Q149-E153 PolarHBondContact NE2-OE2 3.42Å
150S76.6Confident69.9Low32 Ų32107.8 Ų107.822%0.22458%0.576CS.*  trans-64.4128.4178.6-179.70000109W152 E153S150-W152 PolarHBondContact O-N 2.97Å; S150-W152 WeakPolarHBondContact OG-CB 3.39Å; S150-W152 PolarHBondContact OG-N 2.94Å; S150-E153 WeakPolarHBondContact O-CB 3.5Å; S150-E153 PolarHBondContact O-N 3.48Å
151P80.3Confident71.3Confident79 Ų79110.1 Ų110.151%0.51358%0.583SS.*Hα-helixtrans-56.1-24.5172.6-25.534.6000112.8Y148 Q149 E153 Q154 A155Y148-P151 WeakPolarHBondContact OH-CD 3.49Å; Q149-P151 WeakPolarHBondContact O-CD 3.06Å; P151-E153 VanDerWaalsContact C-N 3.32Å; P151-E153 PolarHBondContact O-N 2.89Å; P151-Q154 PolarHBondContact O-N 2.99Å; P151-A155 PolarHBondContact O-N 3.08Å; P151-A155 VanDerWaalsContact O-N 3.1Å
152W78.3Confident72.6Confident169 Ų169108.8 Ų108.864%0.6457%0.57SS**Hα-helixtrans-66.7-29.9174.7-62.496.2000113S150 Q154 A155 I156S150-W152 PolarHBondContact O-N 2.97Å; S150-W152 WeakPolarHBondContact OG-CB 3.39Å; S150-W152 PolarHBondContact OG-N 2.94Å; W152-Q154 VanDerWaalsContact C-N 3.28Å; W152-Q154 PolarHBondContact O-N 2.86Å; W152-A155 PolarHBondContact O-N 3.17Å; W152-I156 HydrophobicContact CB-CD1 4.13Å; W152-I156 HydrophobicContact CE3-CD1 4.15Å; W152-I156 WeakPolarHBondContact O-CB 3.46Å; W152-I156 VanDerWaalsContact O-CG1 3.27Å; W152-I156 WeakPolarHBondContact O-CG1 3.44Å; W152-I156 PolarHBondContact O-N 2.83Å
153E77.8Confident73.8Confident59 Ų59105 Ų10528%0.27655%0.545SS..Hα-helixtrans-62-38.5173-77.2-177.1162.200111Q149 S150 P151 S157 Y167Q149-E153 WeakPolarHBondContact CG-OE2 3.43Å; Q149-E153 PolarHBondContact NE2-OE2 3.42Å; S150-E153 WeakPolarHBondContact O-CB 3.5Å; S150-E153 PolarHBondContact O-N 3.48Å; P151-E153 VanDerWaalsContact C-N 3.32Å; P151-E153 PolarHBondContact O-N 2.89Å; E153-S157 WeakPolarHBondContact O-CA 3.29Å; E153-S157 WeakPolarHBondContact O-CB 3.44Å; E153-S157 PolarHBondContact O-N 3.04Å; E153-Y167 PolarHBondContact OE1-OH 2.76Å
154Q78.4Confident75.1Confident128 Ų128106.3 Ų106.360%0.59854%0.538SS*.Hα-helixtrans-72.5-43.3177.2-67.2-178.7-11.700111.9P151 W152 I156 S157P151-Q154 PolarHBondContact O-N 2.99Å; W152-Q154 VanDerWaalsContact C-N 3.28Å; W152-Q154 PolarHBondContact O-N 2.86Å; Q154-I156 VanDerWaalsContact C-N 3.3Å; Q154-I156 PolarHBondContact O-N 2.89Å; Q154-S157 PolarHBondContact O-N 3.03Å; Q154-S157 PolarHBondContact O-OG 3.11Å
155A79.4Confident76Confident67 Ų67104.8 Ų104.855%0.55454%0.536SS*.Hα-helixtrans-64.9-34.1179.900000112.8P151 W152P151-A155 PolarHBondContact O-N 3.08Å; P151-A155 VanDerWaalsContact O-N 3.1Å; W152-A155 PolarHBondContact O-N 3.17Å
156I82.4Confident76.8Confident27 Ų27103.5 Ų103.514%0.13852%0.523CS..Hα-helixtrans-95.2-11.4-175.7-63.3167.3000111.6W152 Q154 N158 D159 L162 L163 L166W152-I156 HydrophobicContact CB-CD1 4.13Å; W152-I156 HydrophobicContact CE3-CD1 4.15Å; W152-I156 WeakPolarHBondContact O-CB 3.46Å; W152-I156 VanDerWaalsContact O-CG1 3.27Å; W152-I156 WeakPolarHBondContact O-CG1 3.44Å; W152-I156 PolarHBondContact O-N 2.83Å; Q154-I156 VanDerWaalsContact C-N 3.3Å; Q154-I156 PolarHBondContact O-N 2.89Å; I156-N158 PolarHBondContact O-N 3.04Å; I156-D159 PolarHBondContact O-N 2.77Å; I156-L162 HydrophobicContact CG2-CB 3.31Å; I156-L162 HydrophobicContact CG2-CD1 4.42Å; I156-L163 HydrophobicContact CG2-CD2 4.33Å; I156-L163 HydrophobicContact CG2-CG 4.26Å; I156-L166 HydrophobicContact CB-CD1 4.1Å; I156-L166 HydrophobicContact CD1-CD1 3.8Å; I156-L166 HydrophobicContact CD1-CD2 4.47Å; I156-L166 HydrophobicContact CD1-CG 4.35Å; I156-L166 HydrophobicContact CG2-CD1 3.88Å
157S75.6Confident77.1Confident59 Ų59100.5 Ų100.541%0.41351%0.507SS..THydrogen-bonded Turntrans-56.1-26.1-176.562.80000115.5E153 Q154 L163E153-S157 WeakPolarHBondContact O-CA 3.29Å; E153-S157 WeakPolarHBondContact O-CB 3.44Å; E153-S157 PolarHBondContact O-N 3.04Å; Q154-S157 PolarHBondContact O-N 3.03Å; Q154-S157 PolarHBondContact O-OG 3.11Å; S157-L163 WeakPolarHBondContact O-CD1 3.42Å
158N82Confident77.1Confident135 Ų13596 Ų9672%0.72250%0.5SS*.THydrogen-bonded Turntrans-82.7-17.3-178.9-61.4-38.6000113I156I156-N158 PolarHBondContact O-N 3.04Å
159D85.1Confident76.8Confident83 Ų8394.7 Ų94.744%0.44450%0.498SS..  trans-109.6104.5-175.4-69.5-22.2000110.4I156 E161 L162 L163I156-D159 PolarHBondContact O-N 2.77Å; D159-E161 VanDerWaalsContact C-N 3.34Å; D159-E161 PolarHBondContact O-N 3.45Å; D159-L162 HydrophobicContact CB-CB 4.13Å; D159-L162 HydrophobicContact CB-CD1 3.96Å; D159-L162 HydrophobicContact CB-CG 4.18Å; D159-L162 PolarHBondContact O-N 3.32Å; D159-L163 PolarHBondContact O-N 3.2Å; D159-L163 VanDerWaalsContact O-N 3.09Å
160P80.7Confident76.6Confident101 Ų10196.9 Ų96.966%0.65651%0.512SS*.Hα-helixtrans-66.2-32.6-172.325.4-33.8000113.3L163 E164P160-L163 PolarHBondContact O-N 3.44Å; P160-E164 PolarHBondContact O-N 2.89Å; P160-E164 VanDerWaalsContact O-N 3.09Å
161E80.6Confident76.2Confident168 Ų168105 Ų10579%0.78554%0.544SS*.Hα-helixtrans-66.4-39.5177.4-68.9-174.1166.700112.3D159 E164 A165D159-E161 VanDerWaalsContact C-N 3.34Å; D159-E161 PolarHBondContact O-N 3.45Å; E161-E164 PolarHBondContact O-N 3.2Å; E161-A165 PolarHBondContact O-N 3.34Å
162L77.8Confident75.5Confident92 Ų92110.3 Ų110.348%0.48256%0.559SS.*Hα-helixtrans-75.1-34.1179.2-68.4180000111.7I156 D159 E164 A165 L166I156-L162 HydrophobicContact CG2-CB 3.31Å; I156-L162 HydrophobicContact CG2-CD1 4.42Å; D159-L162 HydrophobicContact CB-CB 4.13Å; D159-L162 HydrophobicContact CB-CD1 3.96Å; D159-L162 HydrophobicContact CB-CG 4.18Å; D159-L162 PolarHBondContact O-N 3.32Å; L162-E164 VanDerWaalsContact C-N 3.32Å; L162-A165 PolarHBondContact O-N 3.27Å; L162-L166 PolarHBondContact O-N 3Å; L162-L166 VanDerWaalsContact O-N 3.09Å
163L77.7Confident74.8Confident49 Ų49108.1 Ų108.126%0.25757%0.566SS.*Hα-helixtrans-60.9-41.4170.1-81175.4000112I156 S157 D159 P160 A165 L166 Y167I156-L163 HydrophobicContact CG2-CD2 4.33Å; I156-L163 HydrophobicContact CG2-CG 4.26Å; S157-L163 WeakPolarHBondContact O-CD1 3.42Å; D159-L163 PolarHBondContact O-N 3.2Å; D159-L163 VanDerWaalsContact O-N 3.09Å; P160-L163 PolarHBondContact O-N 3.44Å; L163-A165 VanDerWaalsContact C-N 3.27Å; L163-A165 PolarHBondContact O-N 3.04Å; L163-L166 PolarHBondContact O-N 2.71Å; L163-Y167 WeakPolarHBondContact O-CD2 3.44Å; L163-Y167 PolarHBondContact O-N 2.85Å
164E76.3Confident74.4Confident106 Ų106114.1 Ų114.150%0.49560%0.595SS.*Hα-helixtrans-65.2-31.8176.8-171.7168.7-174.100112P160 E161 L162 Y167 K169P160-E164 PolarHBondContact O-N 2.89Å; P160-E164 VanDerWaalsContact O-N 3.09Å; E161-E164 PolarHBondContact O-N 3.2Å; L162-E164 VanDerWaalsContact C-N 3.32Å; E164-Y167 CarbonylContact O-C 3.4Å; E164-K169 WeakPolarHBondContact OE1-CE 3.4Å; E164-K169 IonicContact OE1-NZ 2.64Å; E164-K169 PolarHBondContact OE1-NZ 3.03Å
165A75.6Confident74Confident73 Ų73111.6 Ų111.660%0.60360%0.602SS**Hα-helixtrans-71.2-33.2173.200000113.5E161 L162 L163E161-A165 PolarHBondContact O-N 3.34Å; L162-A165 PolarHBondContact O-N 3.27Å; L163-A165 VanDerWaalsContact C-N 3.27Å; L163-A165 PolarHBondContact O-N 3.04Å
166L71.5Confident73.2Confident79 Ų79118 Ų11841%0.41462%0.618SS.*Hα-helixtrans-70.8-29.9177.5-78.3179.7000113.4I156 L162 L163 P168I156-L166 HydrophobicContact CB-CD1 4.1Å; I156-L166 HydrophobicContact CD1-CD1 3.8Å; I156-L166 HydrophobicContact CD1-CD2 4.47Å; I156-L166 HydrophobicContact CD1-CG 4.35Å; I156-L166 HydrophobicContact CG2-CD1 3.88Å; L162-L166 PolarHBondContact O-N 3Å; L162-L166 VanDerWaalsContact O-N 3.09Å; L163-L166 PolarHBondContact O-N 2.71Å; L166-P168 WeakPolarHBondContact O-CD 3.47Å
167Y69.6Low72.6Confident139 Ų139120.6 Ų120.655%0.54564%0.643SS.*SBendtrans-107.581171.7-60.3-74.3000108.7E153 L163 E164 K169E153-Y167 PolarHBondContact OE1-OH 2.76Å; L163-Y167 WeakPolarHBondContact O-CD2 3.44Å; L163-Y167 PolarHBondContact O-N 2.85Å; E164-Y167 CarbonylContact O-C 3.4Å; Y167-K169 PolarHBondContact O-N 3.04Å
168P70.1Confident72.3Confident85 Ų85127 Ų12755%0.55267%0.667SS**  trans-49.3123.6171.5-15.218.8000107.3L166 L170L166-P168 WeakPolarHBondContact O-CD 3.47Å; P168-L170 HydrophobicContact CB-CD2 4.22Å; P168-L170 HydrophobicContact CB-CG 4.38Å; P168-L170 PolarHBondContact O-N 2.99Å
169K65.9Low71.8Confident163 Ų163127.6 Ų127.671%0.70967%0.669SS**  trans-62.176.3164.2-76.5171.6176.6160.90106.5E164 Y167 F171E164-K169 WeakPolarHBondContact OE1-CE 3.4Å; E164-K169 IonicContact OE1-NZ 2.64Å; E164-K169 PolarHBondContact OE1-NZ 3.03Å; Y167-K169 PolarHBondContact O-N 3.04Å; K169-F171 PolarHBondContact O-N 3.06Å; K169-F171 VanDerWaalsContact O-N 3.07Å
170L67.3Low71.4Confident142 Ų142127.6 Ų127.674%0.74367%0.674SS**PPolyproline II helixtrans-57.4119.4173.3-68175.9000104.6P168 K172P168-L170 HydrophobicContact CB-CD2 4.22Å; P168-L170 HydrophobicContact CB-CG 4.38Å; P168-L170 PolarHBondContact O-N 2.99Å; L170-K172 PolarHBondContact O-N 3.23Å
171F67Low70.9Confident202 Ų202130.5 Ų130.589%0.88668%0.683SS**PPolyproline II helixtrans-49.2117.6171.6-67.6-79000106.8K169 P173K169-F171 PolarHBondContact O-N 3.06Å; K169-F171 VanDerWaalsContact O-N 3.07Å; F171-P173 WeakPolarHBondContact O-CD 3.46Å; F171-P173 VanDerWaalsContact O-N 3.13Å
172K66.1Low70.3Confident191 Ų191131.3 Ų131.383%0.8368%0.68SS**PPolyproline II helixtrans-57.6124.1173.4-72.8-179.2179.5176.30105.2L170 E174L170-K172 PolarHBondContact O-N 3.23Å; K172-E174 PolarHBondContact O-N 3.04Å
173P64.1Low69.8Low122 Ų122136.8 Ų136.879%0.79270%0.695SS**PPolyproline II helixtrans-54.5119.1174.220.2-28.8000106.5F171 G175F171-P173 WeakPolarHBondContact O-CD 3.46Å; F171-P173 VanDerWaalsContact O-N 3.13Å; P173-G175 PolarHBondContact O-N 3.09Å
174E69.1Low69.2Low186 Ų186138.6 Ų138.687%0.86971%0.711SS**PPolyproline II helixtrans-52.5142.9178.4-72-165.8152.700108.7K172 K176K172-E174 PolarHBondContact O-N 3.04Å; E174-K176 PolarHBondContact O-N 3.36Å
175G69.6Low68.6Low74 Ų74142.3 Ų142.376%0.76373%0.726SS**PPolyproline II helixtrans-49.1128.7179.300000109P173 A177P173-G175 PolarHBondContact O-N 3.09Å; G175-A177 PolarHBondContact O-N 2.93Å
176K63.6Low67.9Low203 Ų203144.5 Ų144.588%0.88373%0.728SS**  trans-43111.9-176.6-64.4-179.7179.2-179.60108.9E174 E178E174-K176 PolarHBondContact O-N 3.36Å; K176-E178 PolarHBondContact O-N 3.41Å
177A70.3Confident67.5Low80 Ų80151.9 Ų151.966%0.66175%0.75SS**  trans-54.8130.417000000107.2G175 L179G175-A177 PolarHBondContact O-N 2.93Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.4Å
178E68.8Low67Low195 Ų195149.9 Ų149.991%0.91175%0.752SS**  trans-60.899.7172-75.1-173.5160.800107.3K176K176-E178 PolarHBondContact O-N 3.41Å
179L70.8Confident66.5Low147 Ų147149.8 Ų149.877%0.7776%0.759SS**  trans-64.9136.1176.2-67.1174000107.6A177 D181A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.4Å; L179-D181 PolarHBondContact O-N 3.21Å
180P76.7Confident66.4Low83 Ų83145.8 Ų145.854%0.53975%0.748SS.*  trans-52.5139.3171.8-24.332.6000110.5Y182P180-Y182 VanDerWaalsContact C-N 3.33Å; P180-Y182 HydrophobicContact CB-CD2 4.45Å; P180-Y182 HydrophobicContact CB-CE2 4.03Å; P180-Y182 HydrophobicContact CG-CE2 4.26Å; P180-Y182 WeakPolarHBondContact O-CD2 3.38Å; P180-Y182 PolarHBondContact O-N 3.03Å
181D70.6Confident66.1Low161 Ų161141.5 Ų141.586%0.86173%0.729SS**  trans-67.991.7175.8-171.926.2000109.4L179 R183L179-D181 PolarHBondContact O-N 3.21Å; D181-R183 PolarHBondContact O-N 3.36Å; D181-R183 VanDerWaalsContact O-N 3.1Å
182Y67.1Low65.6Low185 Ų185142.7 Ų142.773%0.72573%0.734SS**  trans-75.3100.6176-72.7-79.9000109P180 S184P180-Y182 VanDerWaalsContact C-N 3.33Å; P180-Y182 HydrophobicContact CB-CD2 4.45Å; P180-Y182 HydrophobicContact CB-CE2 4.03Å; P180-Y182 HydrophobicContact CG-CE2 4.26Å; P180-Y182 WeakPolarHBondContact O-CD2 3.38Å; P180-Y182 PolarHBondContact O-N 3.03Å; Y182-S184 PolarHBondContact O-N 2.85Å
183R68.6Low65.6Low208 Ų208136.1 Ų136.179%0.78572%0.721SS**  trans-61.9103.2173.2-148.1175.7-169.9-150.33.2109.4D181 F185D181-R183 PolarHBondContact O-N 3.36Å; D181-R183 VanDerWaalsContact O-N 3.1Å; R183-F185 WeakPolarHBondContact O-CE2 2.96Å; R183-F185 PolarHBondContact O-N 3Å
184S64.9Low65.8Low86 Ų86131.6 Ų131.660%0.60170%0.696SS**  trans-74.4114.4177.162.10000109.9Y182 N186Y182-S184 PolarHBondContact O-N 2.85Å; S184-N186 PolarHBondContact O-N 3.14Å
185F64Low65.4Low184 Ų184129 Ų12981%0.80768%0.682SS**SBendtrans-72.3-5.6174.2-43.6-79.9000112.4R183 R187R183-F185 WeakPolarHBondContact O-CE2 2.96Å; R183-F185 PolarHBondContact O-N 3Å; F185-R187 PolarHBondContact O-N 3.45Å
186N61.5Low65.1Low120 Ų120134 Ų13464%0.64269%0.685SS**  trans-101.558.4-179.4-65.6-30.3000111.5S184 V188S184-N186 PolarHBondContact O-N 3.14Å; N186-V188 PolarHBondContact O-N 2.95Å
187R62.7Low64.8Low234 Ų234131 Ų13188%0.88367%0.672SS**SBendtrans-67.6-18.7164.5-64.7-174.887.8160.25.7111.6F185F185-R187 PolarHBondContact O-N 3.45Å
188V59.3Low64.1Low97 Ų97129.2 Ų129.259%0.58866%0.657SS**SBendtrans-143.1131167.1-163.70000106.1N186 T190N186-V188 PolarHBondContact O-N 2.95Å; V188-T190 VanDerWaalsContact C-N 3.29Å; V188-T190 PolarHBondContact O-N 3.03Å; V188-T190 PolarHBondContact O-OG1 3.02Å
189A59.8Low63.5Low83 Ų83124.6 Ų124.669%0.68665%0.647SS**  trans-6392.6175.800000109P191A189-P191 WeakPolarHBondContact O-CD 3.08Å
190T62.7Low62.9Low79 Ų79125.9 Ų125.949%0.48565%0.646SS.*  trans-88.4112175.6-54.80000106.5V188 F195V188-T190 VanDerWaalsContact C-N 3.29Å; V188-T190 PolarHBondContact O-N 3.03Å; V188-T190 PolarHBondContact O-OG1 3.02Å; T190-F195 HydrophobicContact CG2-CE2 4.26Å
191P61.5Low62.1Low52 Ų52128 Ų12834%0.33865%0.651SS.*  trans-60.6143.7176.725-31.8000109.2A189 G193 G194 A198A189-P191 WeakPolarHBondContact O-CD 3.08Å; P191-G193 PolarHBondContact O-N 3.46Å; P191-G194 PolarHBondContact O-N 3.47Å; P191-A198 HydrophobicContact CB-CB 4.39Å; P191-A198 HydrophobicContact CG-CB 3.7Å
192F56.6Low61.5Low226 Ų226126.7 Ų126.799%0.99165%0.649SS**THydrogen-bonded Turntrans-51.7117174.7-90.7-87.2000109.5
193G66.5Low61.3Low54 Ų54126.9 Ų126.956%0.55765%0.654SS**THydrogen-bonded Turntrans99.15.1-179.200000116.6P191P191-G193 PolarHBondContact O-N 3.46Å
194G68.2Low60.9Low26 Ų26124.4 Ų124.427%0.26865%0.649SS.*  trans81.6163.2170.800000115P191 E196 K197 A198P191-G194 PolarHBondContact O-N 3.47Å; G194-E196 VanDerWaalsContact C-N 3.25Å; G194-E196 PolarHBondContact O-N 3.22Å; G194-K197 PolarHBondContact O-N 2.94Å; G194-A198 PolarHBondContact O-N 3.13Å
195F59.3Low60.9Low132 Ų132129.3 Ų129.358%0.57966%0.659SS**Hα-helixtrans-63.1-26.5-173.4-67.4-81.3000114.2T190 K197 A198T190-F195 HydrophobicContact CG2-CE2 4.26Å; F195-K197 VanDerWaalsContact C-N 3.27Å; F195-K197 PolarHBondContact O-N 3.35Å; F195-A198 PolarHBondContact O-N 2.85Å
196E63.1Low60.7Low178 Ų178124.9 Ų124.983%0.83265%0.647SS**Hα-helixtrans-66.4-27.4179.2-63.5-167.2174.100113.4G194 S199G194-E196 VanDerWaalsContact C-N 3.25Å; G194-E196 PolarHBondContact O-N 3.22Å; E196-S199 PolarHBondContact O-OG 3.27Å
197K59Low61.1Low141 Ų141122.8 Ų122.861%0.61364%0.64SS**Hα-helixtrans-91.9-23.7177.3-65.1-173-179.2179.60112.9G194 F195 K200G194-K197 PolarHBondContact O-N 2.94Å; F195-K197 VanDerWaalsContact C-N 3.27Å; F195-K197 PolarHBondContact O-N 3.35Å; K197-K200 PolarHBondContact O-N 3.45Å
198A54.5Low60.9Low42 Ų42119.6 Ų119.635%0.34764%0.641SS.*Hα-helixtrans-71.5-30.3-178.200000113.3P191 G194 F195 K200 I201P191-A198 HydrophobicContact CB-CB 4.39Å; P191-A198 HydrophobicContact CG-CB 3.7Å; G194-A198 PolarHBondContact O-N 3.13Å; F195-A198 PolarHBondContact O-N 2.85Å; A198-K200 PolarHBondContact O-N 3.21Å; A198-K200 VanDerWaalsContact O-N 3.14Å; A198-I201 PolarHBondContact O-N 3.47Å
199S56.7Low60.9Low98 Ų98122 Ų12269%0.68564%0.643SS**THydrogen-bonded Turntrans-66.4-13.1178.362.90000114E196E196-S199 PolarHBondContact O-OG 3.27Å
200K58.7Low60.9Low175 Ų175125.5 Ų125.576%0.76165%0.646SS**THydrogen-bonded Turntrans-107.7-1-176-68.9-174.3-179.8178.90115K197 A198K197-K200 PolarHBondContact O-N 3.45Å; A198-K200 PolarHBondContact O-N 3.21Å; A198-K200 VanDerWaalsContact O-N 3.14Å
201I59.8Low60.7Low126 Ų126126.9 Ų126.965%0.64665%0.649SS**  trans-134.774.5-169.2-48.2174.6000110.9A198A198-I201 PolarHBondContact O-N 3.47Å
202V57.5Low60.5Low134 Ų134130.6 Ų130.681%0.81267%0.666SS**  trans-119.975147.6-172.60000107.4
203K61.7Low60.5Low190 Ų190124.8 Ų124.883%0.82665%0.645SS**  trans-104.651.8159.5-65.2-173-177-178.50108.3K205K203-K205 PolarHBondContact O-N 3.14Å
204F61.4Low60Low155 Ų155127.4 Ų127.468%0.6865%0.645SS**  trans-74.796.8171.5-172-106.6000107.7V206F204-V206 HydrophobicContact CD1-CG2 3.85Å; F204-V206 HydrophobicContact CE1-CB 4.19Å; F204-V206 HydrophobicContact CE1-CG2 3.65Å; F204-V206 PolarHBondContact O-N 3.33Å
205K64Low59.4Low189 Ų189131.3 Ų131.382%0.82266%0.664SS**  trans-77.7110.1160.4-75.1-79.3-175172.40105.6K203 P207K203-K205 PolarHBondContact O-N 3.14Å; K205-P207 VanDerWaalsContact O-CD 3.3Å; K205-P207 WeakPolarHBondContact O-CD 3.49Å
206V60.8Low59.3Low92 Ų92126.8 Ų126.856%0.55865%0.646SS**  trans-56120.9168.6-177.10000106.5F204 D208 F209F204-V206 HydrophobicContact CD1-CG2 3.85Å; F204-V206 HydrophobicContact CE1-CB 4.19Å; F204-V206 HydrophobicContact CE1-CG2 3.65Å; F204-V206 PolarHBondContact O-N 3.33Å; V206-D208 PolarHBondContact O-N 2.99Å; V206-F209 HydrophobicContact CG1-CD2 4.47Å; V206-F209 HydrophobicContact CG1-CE2 3.94Å
207P68.9Low59.1Low75 Ų75123.5 Ų123.549%0.48764%0.64SS.*  trans-62134.7171.1-20.333.2000109K205 F209K205-P207 VanDerWaalsContact O-CD 3.3Å; K205-P207 WeakPolarHBondContact O-CD 3.49Å; P207-F209 WeakPolarHBondContact O-CD2 3.42Å; P207-F209 VanDerWaalsContact O-CE2 3.3Å; P207-F209 WeakPolarHBondContact O-CE2 3.38Å; P207-F209 PolarHBondContact O-N 3.22Å
208D59.4Low59.1Low168 Ų168125 Ų12590%0.89864%0.642SS**  trans-63.6111.1173.1-71.2-32.5000108.3V206V206-D208 PolarHBondContact O-N 2.99Å
209F58Low59.1Low146 Ų146127.2 Ų127.264%0.6464%0.644SS**  trans-82.5121.1173.8-59-81.2000107.9V206 P207 L211V206-F209 HydrophobicContact CG1-CD2 4.47Å; V206-F209 HydrophobicContact CG1-CE2 3.94Å; P207-F209 WeakPolarHBondContact O-CD2 3.42Å; P207-F209 VanDerWaalsContact O-CE2 3.3Å; P207-F209 WeakPolarHBondContact O-CE2 3.38Å; P207-F209 PolarHBondContact O-N 3.22Å; F209-L211 PolarHBondContact O-N 2.97Å
210E60.3Low59.1Low157 Ų157126.7 Ų126.773%0.73463%0.631SS**  trans-66.286.2168.4-80.9-168.7157.300109.7L212E210-L212 PolarHBondContact O-N 3.26Å; E210-L212 VanDerWaalsContact O-N 3.12Å
211L59.2Low58.9Low108 Ų108122.7 Ų122.757%0.56563%0.626SS**THydrogen-bonded Turntrans-70.32.7174.7-72163.9000113.2F209 L213 L214 T215F209-L211 PolarHBondContact O-N 2.97Å; L211-L213 VanDerWaalsContact C-N 3.3Å; L211-L213 PolarHBondContact O-N 3.33Å; L211-L214 HydrophobicContact CD2-CB 4.46Å; L211-L214 HydrophobicContact CD2-CD2 4.02Å; L211-L214 PolarHBondContact O-N 3.09Å; L211-T215 PolarHBondContact O-N 3.42Å; L211-T215 PolarHBondContact O-OG1 3.22Å
212L57.3Low58.6Low130 Ų130125 Ų12568%0.68163%0.632SS**Hα-helixtrans-61.7-37.4-179.5-68.5174.8000112E210 L214 T215 D216E210-L212 PolarHBondContact O-N 3.26Å; E210-L212 VanDerWaalsContact O-N 3.12Å; L212-L214 VanDerWaalsContact C-N 3.27Å; L212-L214 PolarHBondContact O-N 2.66Å; L212-T215 PolarHBondContact O-N 3.4Å; L212-D216 PolarHBondContact O-N 3.26Å
213L56.2Low58.5Low105 Ų105123.1 Ų123.155%0.5562%0.62SS.*Hα-helixtrans-68.1-24.9174.4-83.3130.8000113.4L211 T215 F219L211-L213 VanDerWaalsContact C-N 3.3Å; L211-L213 PolarHBondContact O-N 3.33Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-F219 HydrophobicContact CD2-CD2 4.48Å; L213-F219 HydrophobicContact CD2-CG 4.5Å
214L55.4Low58.1Low108 Ų108117.9 Ų117.957%0.56560%0.601SS**Hα-helixtrans-84.9-10.9178.8-15270.2000112.6L211 L212 M220L211-L214 HydrophobicContact CD2-CB 4.46Å; L211-L214 HydrophobicContact CD2-CD2 4.02Å; L211-L214 PolarHBondContact O-N 3.09Å; L212-L214 VanDerWaalsContact C-N 3.27Å; L212-L214 PolarHBondContact O-N 2.66Å; L214-M220 HydrophobicContact CD1-CE 3.8Å; L214-M220 HydrophobicContact CG-CE 4Å; L214-M220 WeakPolarHBondContact O-CE 3.49Å
215T56.4Low57.9Low109 Ų109116 Ų11667%0.66960%0.604SS**Hα-helixtrans-106.6-14-178.3-33.60000111.9L211 L212 L213 P217L211-T215 PolarHBondContact O-N 3.42Å; L211-T215 PolarHBondContact O-OG1 3.22Å; L212-T215 PolarHBondContact O-N 3.4Å; L213-T215 VanDerWaalsContact C-N 3.32Å; T215-P217 WeakPolarHBondContact O-CD 3.37Å
216D57.6Low57.3Low36 Ų36111.8 Ų111.819%0.19359%0.59CS.*  trans-75.6118.1178.1-172.1-20.5000110.9L212 R218 F219L212-D216 PolarHBondContact O-N 3.26Å; D216-R218 PolarHBondContact O-N 2.67Å; D216-R218 WeakPolarHBondContact OD1-CB 3.29Å; D216-R218 WeakPolarHBondContact OD1-CG 3.37Å; D216-R218 PolarHBondContact OD1-N 3.1Å; D216-R218 IonicContact OD1-NE 3.15Å; D216-R218 PolarHBondContact OD1-NE 3.12Å; D216-R218 VanDerWaalsContact OD1-NE 3.15Å; D216-R218 IonicContact OD2-CZ 3.29Å; D216-R218 VanDerWaalsContact OD2-CZ 3.29Å; D216-R218 IonicContact OD2-NE 3.07Å; D216-R218 PolarHBondContact OD2-NE 2.93Å; D216-R218 VanDerWaalsContact OD2-NE 3.07Å; D216-R218 IonicContact OD2-NH2 2.69Å; D216-R218 PolarHBondContact OD2-NH2 2.95Å; D216-F219 HydrophobicContact CB-CD2 3.9Å; D216-F219 PolarHBondContact O-N 3.48Å; D216-F219 VanDerWaalsContact O-N 3.12Å
217P57.8Low57.1Low109 Ų109110.3 Ų110.371%0.70858%0.584SS**THydrogen-bonded Turntrans-55.2-24.9179.6-2433.1000114T215 F219T215-P217 WeakPolarHBondContact O-CD 3.37Å; P217-F219 VanDerWaalsContact C-N 3.32Å; P217-F219 PolarHBondContact O-N 2.73Å
218R59.9Low56.5Low172 Ų172110.3 Ų110.365%0.64960%0.597SS**THydrogen-bonded Turntrans-73-23.7-177.5-60.2178.5-62.4157.71.9113.4D216D216-R218 PolarHBondContact O-N 2.67Å; D216-R218 WeakPolarHBondContact OD1-CB 3.29Å; D216-R218 WeakPolarHBondContact OD1-CG 3.37Å; D216-R218 PolarHBondContact OD1-N 3.1Å; D216-R218 IonicContact OD1-NE 3.15Å; D216-R218 PolarHBondContact OD1-NE 3.12Å; D216-R218 VanDerWaalsContact OD1-NE 3.15Å; D216-R218 IonicContact OD2-CZ 3.29Å; D216-R218 VanDerWaalsContact OD2-CZ 3.29Å; D216-R218 IonicContact OD2-NE 3.07Å; D216-R218 PolarHBondContact OD2-NE 2.93Å; D216-R218 VanDerWaalsContact OD2-NE 3.07Å; D216-R218 IonicContact OD2-NH2 2.69Å; D216-R218 PolarHBondContact OD2-NH2 2.95Å
219F54.6Low56.5Low90 Ų90110.6 Ų110.640%0.39559%0.586SS.*THydrogen-bonded Turntrans-102-17.9-177.9-66-81.2000112.8L213 D216 P217 S221 F222 V223L213-F219 HydrophobicContact CD2-CD2 4.48Å; L213-F219 HydrophobicContact CD2-CG 4.5Å; D216-F219 HydrophobicContact CB-CD2 3.9Å; D216-F219 PolarHBondContact O-N 3.48Å; D216-F219 VanDerWaalsContact O-N 3.12Å; P217-F219 VanDerWaalsContact C-N 3.32Å; P217-F219 PolarHBondContact O-N 2.73Å; F219-S221 PolarHBondContact O-N 3.23Å; F219-S221 VanDerWaalsContact O-N 3.17Å; F219-F222 PolarHBondContact O-N 2.9Å; F219-F222 VanDerWaalsContact O-N 3.15Å; F219-V223 WeakPolarHBondContact O-CG2 3.42Å
220M55.8Low56.6Low86 Ų86116 Ų11642%0.42460%0.602SS.*THydrogen-bonded Turntrans-60-24.1177.3-74.6-72.110000114.7L214 F222 V223L214-M220 HydrophobicContact CD1-CE 3.8Å; L214-M220 HydrophobicContact CG-CE 4Å; L214-M220 WeakPolarHBondContact O-CE 3.49Å; M220-F222 VanDerWaalsContact C-N 3.34Å; M220-V223 HydrophobicContact CE-CG2 4.07Å
221S55.3Low56.7Low91 Ų91111.2 Ų111.264%0.63659%0.586SS**THydrogen-bonded Turntrans-71.8-26.117854.60000113.4F219F219-S221 PolarHBondContact O-N 3.23Å; F219-S221 VanDerWaalsContact O-N 3.17Å
222F53.8Low57Low176 Ų176115.9 Ų115.977%0.77260%0.602SS**THydrogen-bonded Turntrans-97-23.1-173.4-65.7-73.7000114.1F219 M220F219-F222 PolarHBondContact O-N 2.9Å; F219-F222 VanDerWaalsContact O-N 3.15Å; M220-F222 VanDerWaalsContact C-N 3.34Å
223V53.7Low57.5Low93 Ų93117.1 Ų117.156%0.56461%0.609SS**SBendtrans-94.6-6.9-169.8-104.50000115.8F219 M220 P225F219-V223 WeakPolarHBondContact O-CG2 3.42Å; M220-V223 HydrophobicContact CE-CG2 4.07Å; V223-P225 WeakPolarHBondContact O-CD 3.35Å
224N54Low58.2Low81 Ų81118 Ų11843%0.43361%0.605SS.*  trans-125.377.9-173.7-158.2-0.1000114.9L226 S227N224-L226 PolarHBondContact O-N 3.44Å; N224-L226 WeakPolarHBondContact OD1-CA 3.42Å; N224-L226 VanDerWaalsContact OD1-CB 3.27Å; N224-L226 WeakPolarHBondContact OD1-CB 3.39Å; N224-L226 PolarHBondContact OD1-N 3.01Å; N224-S227 WeakPolarHBondContact O-CB 3.42Å; N224-S227 PolarHBondContact O-N 2.95Å; N224-S227 PolarHBondContact O-OG 3.26Å; N224-S227 PolarHBondContact OD1-N 3.42Å
225P57Low59.1Low115 Ų115118.8 Ų118.875%0.74762%0.615SS**THydrogen-bonded Turntrans-63.5-6.9168.127.7-34000113V223V223-P225 WeakPolarHBondContact O-CD 3.35Å
226L50.8Low59.4Low100 Ų100119.5 Ų119.552%0.52462%0.621SS.*THydrogen-bonded Turntrans-97.3-3.2175.7-48.5175.1000112.7N224 G228 R229N224-L226 PolarHBondContact O-N 3.44Å; N224-L226 WeakPolarHBondContact OD1-CA 3.42Å; N224-L226 VanDerWaalsContact OD1-CB 3.27Å; N224-L226 WeakPolarHBondContact OD1-CB 3.39Å; N224-L226 PolarHBondContact OD1-N 3.01Å; L226-G228 PolarHBondContact O-N 2.95Å; L226-R229 HydrophobicContact CD2-CG 4.41Å; L226-R229 PolarHBondContact O-N 3.38Å
227S57.3Low59.6Low62 Ų62125.8 Ų125.843%0.43465%0.647SS.*THydrogen-bonded Turntrans-65.4-18.7177.468.70000113.2N224 R234N224-S227 WeakPolarHBondContact O-CB 3.42Å; N224-S227 PolarHBondContact O-N 2.95Å; N224-S227 PolarHBondContact O-OG 3.26Å; N224-S227 PolarHBondContact OD1-N 3.42Å; S227-R234 PolarHBondContact O-NH1 3Å; S227-R234 PolarHBondContact O-NH2 3.19Å
228G57.3Low59.7Low74 Ų74123.1 Ų123.176%0.76364%0.64SS**THydrogen-bonded Turntrans-90.4-8.1171.400000114.8L226L226-G228 PolarHBondContact O-N 2.95Å
229R58.5Low59.5Low174 Ų174128 Ų12866%0.65766%0.658SS**SBendtrans-76.2134.7177.3-68.2-167.5-169.9-103.41.3110.2L226 S231L226-R229 HydrophobicContact CD2-CG 4.41Å; L226-R229 PolarHBondContact O-N 3.38Å; R229-S231 PolarHBondContact O-N 3.23Å
230R61.3Low59.2Low259 Ų259129.5 Ų129.598%0.97767%0.669SS**  trans-62108.2166.5-100.6-176.4-90.7-102.60.7108.3
231S62.4Low58.9Low57 Ų57130 Ų13040%0.39968%0.681SS.*  trans-115.6130172.672.80000109.4R229 N233 R234R229-S231 PolarHBondContact O-N 3.23Å; S231-N233 PolarHBondContact O-N 2.99Å; S231-R234 PolarHBondContact O-N 3.5Å; S231-R234 WeakPolarHBondContact OG-CD 3.35Å; S231-R234 WeakPolarHBondContact OG-CG 3.42Å
232F64.1Low58.8Low206 Ų206132.6 Ų132.690%0.90468%0.683SS**THydrogen-bonded Turntrans-66.4-19.4176.8-169.3-98000113.1R234F232-R234 VanDerWaalsContact C-N 3.3Å; F232-R234 PolarHBondContact O-N 3.43Å
233N68.3Low58.6Low157 Ų157130.9 Ų130.984%0.8468%0.682SS**THydrogen-bonded Turntrans-86.612.5-178.8-61.4-30.9000114.2S231S231-N233 PolarHBondContact O-N 2.99Å
234R71.3Confident58.7Low123 Ų123132.4 Ų132.446%0.46469%0.686SS.*SBendtrans-97.1136.8175.6-84167.9101.8178.17.4110.4S227 S231 F232S227-R234 PolarHBondContact O-NH1 3Å; S227-R234 PolarHBondContact O-NH2 3.19Å; S231-R234 PolarHBondContact O-N 3.5Å; S231-R234 WeakPolarHBondContact OG-CD 3.35Å; S231-R234 WeakPolarHBondContact OG-CG 3.42Å; F232-R234 VanDerWaalsContact C-N 3.3Å; F232-R234 PolarHBondContact O-N 3.43Å
235T73.3Confident58.2Low124 Ų124133.6 Ų133.676%0.76170%0.698SS**  trans-53.7133.4170-28.80000109K237T235-K237 PolarHBondContact O-N 2.94Å
236P63.7Low58Low124 Ų124135.3 Ų135.381%0.80570%0.699SS**  trans-59.5105.2179.222.4-32.4000109.4G238P236-G238 PolarHBondContact O-N 3.42Å
237K61.5Low57.8Low168 Ų168136.1 Ų136.173%0.7371%0.708SS**  trans-76.3117.5164.9-73.6-172.9172.2-166.50105.4T235T235-K237 PolarHBondContact O-N 2.94Å
238G59.6Low57.3Low54 Ų54139.5 Ų139.556%0.55772%0.72SS**  trans-54.6173.7175.700000112P236 I240P236-G238 PolarHBondContact O-N 3.42Å; G238-I240 PolarHBondContact O-N 2.9Å
239W55.5Low56.6Low274 Ų274141 Ų141100%1.03871%0.714SS**  trans-73.475.6178.3-66.144.4000109.1
240I49.7Very low55.9Low121 Ų121138.3 Ų138.362%0.62172%0.718SS**  trans-94.3106.9167.357.9172.5000106.8G238 E242G238-I240 PolarHBondContact O-N 2.9Å; I240-E242 VanDerWaalsContact C-N 3.32Å; I240-E242 PolarHBondContact O-N 2.96Å; I240-E242 VanDerWaalsContact O-N 3.11Å
241S49.3Very low54.9Low97 Ų97133.7 Ų133.768%0.67871%0.707SS**  trans-73.39616358.90000106.3N243S241-N243 VanDerWaalsContact C-N 3.28Å; S241-N243 WeakPolarHBondContact CB-OD1 3.46Å; S241-N243 PolarHBondContact O-N 3.25Å; S241-N243 PolarHBondContact O-OD1 3.38Å; S241-N243 PolarHBondContact OG-OD1 2.94Å
242E53.2Low53.9Low146 Ų146136.1 Ų136.168%0.68272%0.721SS**  trans-68.5101.8157.5-71.5-174.4-167.900105.2I240 I244I240-E242 VanDerWaalsContact C-N 3.32Å; I240-E242 PolarHBondContact O-N 2.96Å; I240-E242 VanDerWaalsContact O-N 3.11Å; E242-I244 HydrophobicContact CB-CG1 4.48Å; E242-I244 PolarHBondContact O-N 3.45Å
243N49.6Very low52.9Low139 Ų139132.7 Ų132.774%0.74372%0.718SS**  trans-66.972.2-178.8-57.9-16.4000109.1S241 P245S241-N243 VanDerWaalsContact C-N 3.28Å; S241-N243 WeakPolarHBondContact CB-OD1 3.46Å; S241-N243 PolarHBondContact O-N 3.25Å; S241-N243 PolarHBondContact O-OD1 3.38Å; S241-N243 PolarHBondContact OG-OD1 2.94Å; N243-P245 WeakPolarHBondContact O-CD 3.36Å
244I55.2Low51.6Low126 Ų126132.6 Ų132.665%0.64672%0.717SS**  trans-87.8112.2168.7-57.2170.5000105.1E242 I246E242-I244 HydrophobicContact CB-CG1 4.48Å; E242-I244 PolarHBondContact O-N 3.45Å; I244-I246 PolarHBondContact O-N 3.4Å; I244-I246 VanDerWaalsContact O-N 3.11Å
245P44.5Very low50.2Low106 Ų106133.9 Ų133.969%0.68873%0.733SS**  trans-63.8117.9175.925.7-30.7000108.2N243 V247N243-P245 WeakPolarHBondContact O-CD 3.36Å; P245-V247 PolarHBondContact O-N 3.02Å
246I51.4Low48.7Very low150 Ų150134.3 Ų134.377%0.76974%0.735SS**  trans-7297.2170.1-57.2174000105.9I244 I248I244-I246 PolarHBondContact O-N 3.4Å; I244-I246 VanDerWaalsContact O-N 3.11Å; I246-I248 HydrophobicContact CG2-CG1 3.77Å; I246-I248 PolarHBondContact O-N 3.36Å
247V46.1Very low47.7Very low118 Ų118134.5 Ų134.572%0.71574%0.735SS**  trans-75.9100.9166.7-179.50000106.5P245 T249P245-V247 PolarHBondContact O-N 3.02Å; V247-T249 PolarHBondContact O-N 2.95Å
248I47.5Very low47Very low133 Ų133133.4 Ų133.468%0.68274%0.735SS**  trans-79.998.4168.8-55.7176.5000106I246 T250I246-I248 HydrophobicContact CG2-CG1 3.77Å; I246-I248 PolarHBondContact O-N 3.36Å; I248-T250 HydrophobicContact CG2-CG2 4.22Å; I248-T250 PolarHBondContact O-N 2.95Å; I248-T250 VanDerWaalsContact O-N 3.15Å
249T41.9Very low46.6Very low105 Ų105136.4 Ų136.464%0.64475%0.745SS**  trans-71.9102.5167.6-530000107.8V247 E251V247-T249 PolarHBondContact O-N 2.95Å; T249-E251 HydrophobicContact CG2-CG 4.27Å; T249-E251 PolarHBondContact O-N 3.38Å
250T45.3Very low46Very low118 Ų118132.7 Ų132.772%0.72474%0.739SS**  trans-79.892.916552.50000107.6I248 P252I248-T250 HydrophobicContact CG2-CG2 4.22Å; I248-T250 PolarHBondContact O-N 2.95Å; I248-T250 VanDerWaalsContact O-N 3.15Å; T250-P252 WeakPolarHBondContact O-CD 3.35Å
251E40Very low46.2Very low162 Ų162132.3 Ų132.376%0.75775%0.747SS**PPolyproline II helixtrans-68.2120.6161.8-76.8-89.5141.200107.5T249T249-E251 HydrophobicContact CG2-CG 4.27Å; T249-E251 PolarHBondContact O-N 3.38Å
252P41.3Very low46.2Very low107 Ų107137.2 Ų137.270%0.69576%0.759SS**PPolyproline II helixtrans-67.8132167.128.9-30.4000108.7T250 D254T250-P252 WeakPolarHBondContact O-CD 3.35Å; P252-D254 PolarHBondContact O-N 3.02Å
253T41.9Very low46.2Very low135 Ų135137.9 Ų137.983%0.82877%0.767SS**PPolyproline II helixtrans-71.4118.1173.910.50000108D255T253-D255 PolarHBondContact O-N 3.29Å
254D42.7Very low45.6Very low154 Ų154143 Ų14382%0.82479%0.794SS**PPolyproline II helixtrans-62.8121.9172.7-77.3-35.5000109.9P252 T256P252-D254 PolarHBondContact O-N 3.02Å; D254-T256 PolarHBondContact O-N 3.16Å; D254-T256 VanDerWaalsContact O-N 3.17Å
255D40.3Very low45.1Very low151 Ų151143.9 Ų143.981%0.80780%0.801SS**  trans-62112.7174.1-75.5-39.4000110.1T253 T257T253-D255 PolarHBondContact O-N 3.29Å; D255-T257 PolarHBondContact O-N 3.44Å
256T41.7Very low45.1Very low132 Ų132145.8 Ų145.881%0.8181%0.807SS**  trans-72.494.4168.9-57.70000108.3D254 I258D254-T256 PolarHBondContact O-N 3.16Å; D254-T256 VanDerWaalsContact O-N 3.17Å; T256-I258 PolarHBondContact O-N 2.86Å
257T44.2Very low44.8Very low128 Ų128145.6 Ų145.679%0.78581%0.809SS**  trans-76.7113.7170.2450000109.5D255D255-T257 PolarHBondContact O-N 3.44Å
258I46.1Very low44.7Very low145 Ų145147.2 Ų147.274%0.74481%0.814SS**PPolyproline II helixtrans-69.5130.1174.7-60.1163.8000107.8T256 E260T256-I258 PolarHBondContact O-N 2.86Å; I258-E260 PolarHBondContact O-N 3.1Å
259P51.6Low44.5Very low117 Ų117148.1 Ų148.176%0.7682%0.823SS**PPolyproline II helixtrans-75.4117.5173.828.8-30.3000109.8S261P259-S261 PolarHBondContact O-N 3.47Å
260E42.8Very low44.7Very low197 Ų197151 Ų15192%0.92184%0.835SS**PPolyproline II helixtrans-66.2125167.5-73.6-177.2156.700109.6I258I258-E260 PolarHBondContact O-N 3.1Å
261S53.8Low44.6Very low112 Ų112153.4 Ų153.478%0.78384%0.843SS**  trans-116.2109.4165.955.30000108.8P259P259-S261 PolarHBondContact O-N 3.47Å
262E49.3Very low45Very low201 Ų201152.7 Ų152.794%0.93985%0.849SS**  trans-143.6136.3155-85.3-158.8154.600111.6
263D52.6Low45.3Very low159 Ų159156.5 Ų156.585%0.8586%0.862SS**  trans-55.1140.2178.8-80-45.9000114.9
264L37Very low45.6Very low247 Ų247158.5 Ų158.5100%1.29387%0.865SS**  -174.20120-104.4153000112

Retrieved 264 of 264 residues in 63.4 ms (Link to these results)