A0A087Y4K8_POEFO Loading...

Prohibitin

Protein with pleiotropic attributes mediated in a cell-compartment- and tissue-specific manner, which include the plasma membrane-associated cell signaling functions, mitochondrial chaperone, and transcriptional co-regulator of transcription factors and sex steroid hormones in the nucleus.

AlphaFold DB , UniProt , Accession A0A087Y4K8, Species POEFO (Poecilia formosa, Amazon molly), Gene PHB2, Length 306 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
1M38.6Very low53.2Low255 Ų255134.7 Ų134.7100%1.25670%0.704SS**  0129.40-92.5141.374.300108.7
2G43.8Very low53.9Low81 Ų81134 Ų13484%0.83569%0.694SS**  trans12451.4164.600000117.7
3S46.6Very low54.3Low111 Ų111131.5 Ų131.578%0.77668%0.682SS**  trans-72135.1154.952.60000110.6
4K46.8Very low54.7Low191 Ų191135.6 Ų135.683%0.8368%0.684SS**  trans163.3134.3159.5-94.8169.6-174.2-1680107.7
5E53.7Low55.2Low106 Ų106133.5 Ų133.550%0.49568%0.675SS.*  cis-167127.816.2-95.8169.1-16800109.7R8E5-R8 IonicContact OE2-NE 3.48Å; E5-R8 PolarHBondContact OE2-NE 3.49Å
6P53.3Low55.5Low107 Ų107132.8 Ų132.870%0.69567%0.673SS**SBendtrans-91.94.4159.231.8-31.1000113.4
7N56.9Low55.7Low89 Ų89130.2 Ų130.248%0.47667%0.665SS.*Hα-helixtrans-83.6-14.9-165.3-83.3-14.6000116.2Q11N7-Q11 VanDerWaalsContact O-CB 3.24Å; N7-Q11 WeakPolarHBondContact O-CB 3.44Å; N7-Q11 WeakPolarHBondContact O-CG 3.38Å; N7-Q11 PolarHBondContact O-N 3.15Å
8R61.3Low55.8Low174 Ų174124.8 Ų124.866%0.65765%0.647SS**Hα-helixtrans-72.6-37.3-174.3-76.2-175.4178.4-158.3-6.5114E5 Q11 H12E5-R8 IonicContact OE2-NE 3.48Å; E5-R8 PolarHBondContact OE2-NE 3.49Å; R8-Q11 PolarHBondContact O-N 3.42Å; R8-H12 PolarHBondContact O-CD2 2.95Å; R8-H12 PolarHBondContact O-N 2.96Å
9F58.6Low56Low159 Ų159129.6 Ų129.670%0.69766%0.656SS**Hα-helixtrans-74.3-38.3-179.1-163.2-97.9000112.2Q11 H12 L13F9-Q11 VanDerWaalsContact C-N 3.33Å; F9-H12 PolarHBondContact O-N 3.2Å; F9-L13 HydrophobicContact CD1-CD1 4.3Å; F9-L13 HydrophobicContact CE1-CD1 4.15Å; F9-L13 PolarHBondContact O-N 3.25Å; F9-L13 VanDerWaalsContact O-N 3.07Å
10I63.3Low55.8Low106 Ų106129.2 Ų129.254%0.54465%0.653SS.*Hα-helixtrans-67.9-35.9173.4-60.8-178.5000110.3L13 R14I10-L13 PolarHBondContact O-N 3.44Å; I10-R14 WeakPolarHBondContact O-CB 3.35Å; I10-R14 PolarHBondContact O-N 3.49Å
11Q62.2Low55.6Low103 Ų103127.6 Ų127.648%0.48165%0.654SS.*Hα-helixtrans-65.2-39.8171.5-79.8169.2-600112.3N7 R8 F9 L13 R14 D15N7-Q11 VanDerWaalsContact O-CB 3.24Å; N7-Q11 WeakPolarHBondContact O-CB 3.44Å; N7-Q11 WeakPolarHBondContact O-CG 3.38Å; N7-Q11 PolarHBondContact O-N 3.15Å; R8-Q11 PolarHBondContact O-N 3.42Å; F9-Q11 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.17Å; Q11-R14 CarbonylContact O-C 3.56Å; Q11-R14 PolarHBondContact O-N 3.38Å; Q11-R14 VanDerWaalsContact O-N 3.17Å; Q11-D15 WeakPolarHBondContact O-CB 3.49Å; Q11-D15 PolarHBondContact O-N 3.36Å
12H61.7Low56Low126 Ų126120.1 Ų120.158%0.58363%0.627SS**Hα-helixtrans-63.5-39.4174.3-87.3-69.3000113.1R8 F9 R14 L16R8-H12 PolarHBondContact O-CD2 2.95Å; R8-H12 PolarHBondContact O-N 2.96Å; F9-H12 PolarHBondContact O-N 3.2Å; H12-R14 VanDerWaalsContact C-N 3.34Å; H12-L16 WeakPolarHBondContact O-CB 3.45Å; H12-L16 PolarHBondContact O-N 3.37Å
13L59.4Low56.1Low102 Ų102120.5 Ų120.553%0.53462%0.617SS.*Hα-helixtrans-66.4-36.2172.7-81.8169.1000112.1F9 I10 Q11 T17F9-L13 HydrophobicContact CD1-CD1 4.3Å; F9-L13 HydrophobicContact CE1-CD1 4.15Å; F9-L13 PolarHBondContact O-N 3.25Å; F9-L13 VanDerWaalsContact O-N 3.07Å; I10-L13 PolarHBondContact O-N 3.44Å; Q11-L13 PolarHBondContact O-N 3.17Å; L13-T17 WeakPolarHBondContact O-CB 3.39Å; L13-T17 PolarHBondContact O-N 2.94Å; L13-T17 PolarHBondContact O-OG1 3.25Å
14R59.7Low56.2Low189 Ų189119.3 Ų119.371%0.71362%0.621SS**Hα-helixtrans-72.7-34.8177.7-151.9178.5-134.6170.13.6112.7I10 Q11 H12 T17 G18I10-R14 WeakPolarHBondContact O-CB 3.35Å; I10-R14 PolarHBondContact O-N 3.49Å; Q11-R14 CarbonylContact O-C 3.56Å; Q11-R14 PolarHBondContact O-N 3.38Å; Q11-R14 VanDerWaalsContact O-N 3.17Å; H12-R14 VanDerWaalsContact C-N 3.34Å; R14-T17 VanDerWaalsContact CA-OG1 3.26Å; R14-T17 WeakPolarHBondContact CA-OG1 3.34Å; R14-T17 PolarHBondContact O-OG1 2.83Å; R14-T17 VanDerWaalsContact O-OG1 3.13Å; R14-G18 PolarHBondContact O-N 3.16Å
15D62.4Low56.1Low104 Ų104112.2 Ų112.256%0.55660%0.603SS**Hα-helixtrans-75.9-34176.1-81.6-13.2000112Q11 R19Q11-D15 WeakPolarHBondContact O-CB 3.49Å; Q11-D15 PolarHBondContact O-N 3.36Å; D15-R19 WeakPolarHBondContact O-CB 3.4Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 3.19Å
16L60.3Low56Low122 Ų122117.4 Ų117.464%0.63962%0.623SS**Hα-helixtrans-66.4-40.7170-109.2144.2000111.8H12 M20H12-L16 WeakPolarHBondContact O-CB 3.45Å; H12-L16 PolarHBondContact O-N 3.37Å; L16-M20 PolarHBondContact O-N 3.39Å
17T58.1Low56.1Low88 Ų88114.6 Ų114.654%0.5461%0.614SS.*Hα-helixtrans-74-31.8175.439.50000112.8L13 R14 S21L13-T17 WeakPolarHBondContact O-CB 3.39Å; L13-T17 PolarHBondContact O-N 2.94Å; L13-T17 PolarHBondContact O-OG1 3.25Å; R14-T17 VanDerWaalsContact CA-OG1 3.26Å; R14-T17 WeakPolarHBondContact CA-OG1 3.34Å; R14-T17 PolarHBondContact O-OG1 2.83Å; R14-T17 VanDerWaalsContact O-OG1 3.13Å; T17-S21 PolarHBondContact O-N 3.47Å
18G58.4Low56.3Low33 Ų33112.8 Ų112.834%0.3461%0.612SS.*Hα-helixtrans-73.7-33.9176.400000114.2R14 M20 S21R14-G18 PolarHBondContact O-N 3.16Å; G18-M20 VanDerWaalsContact C-N 3.32Å; G18-S21 PolarHBondContact O-N 3.46Å; G18-S21 PolarHBondContact O-OG 3.06Å
19R58.1Low56.4Low217 Ų217106.8 Ų106.882%0.81960%0.604SS**Hα-helixtrans-77-17.3173.6-75.7-178157.3-176.1-5.3113.8D15D15-R19 WeakPolarHBondContact O-CB 3.4Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 3.19Å
20M53.5Low57Low121 Ų121104.7 Ų104.760%0.59660%0.6SS**Hα-helixtrans-86.6-20.3172.1-112.117549.700113.2L16 G18 L32L16-M20 PolarHBondContact O-N 3.39Å; G18-M20 VanDerWaalsContact C-N 3.32Å; M20-L32 HydrophobicContact CE-CD1 4.36Å
21S50.8Low57.5Low95 Ų95101 Ų10166%0.66459%0.588SS**Hα-helixtrans-93-14-178.976.20000114.4T17 G18T17-S21 PolarHBondContact O-N 3.47Å; G18-S21 PolarHBondContact O-N 3.46Å; G18-S21 PolarHBondContact O-OG 3.06Å
22S48.1Very low58.3Low98 Ų98100.2 Ų100.269%0.68559%0.586SS**SBendtrans-89.1-2.6-176.771.70000115.5G24S22-G24 PolarHBondContact O-N 3.47Å
23S45.7Very low59.1Low90 Ų90102 Ų10263%0.62959%0.592SS**  trans-96.582.8169.1-173.40000109.9G25S23-G25 PolarHBondContact O-N 2.91Å
24G47.9Very low60.3Low85 Ų85102.9 Ų102.988%0.87660%0.597SS**  trans-7164.1177.800000113.5S22S22-G24 PolarHBondContact O-N 3.47Å
25G44.3Very low61.4Low42 Ų42100 Ų10043%0.43360%0.595SS.*  trans-92.8134.3158.700000109.3S23 G27 A28S23-G25 PolarHBondContact O-N 2.91Å; G25-G27 PolarHBondContact O-N 2.96Å; G25-A28 PolarHBondContact O-N 3.46Å
26K52.6Low62.5Low215 Ų215100.5 Ų100.594%0.93560%0.597SS**THydrogen-bonded Turntrans-53.5-4.9174-70.4177.21761770114.3
27G55.4Low63.8Low49 Ų4996.2 Ų96.251%0.50558%0.583SS.*THydrogen-bonded Turntrans-95.6-14.8171.900000116.7G25 L30 G31G25-G27 PolarHBondContact O-N 2.96Å; G27-L30 PolarHBondContact O-N 3.29Å; G27-G31 PolarHBondContact O-N 3.1Å
28A59.8Low65.1Low51 Ų5194.8 Ų94.842%0.42158%0.58SS.*Hα-helixtrans-69.5-41-176.500000112.7G25 L30 G31 L32G25-A28 PolarHBondContact O-N 3.46Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-G31 PolarHBondContact O-N 3.44Å; A28-L32 PolarHBondContact O-N 3.32Å
29G64.3Low66.4Low48 Ų4895.1 Ų95.150%0.49558%0.583SS.*Hα-helixtrans-69.8-29.6172.500000113.3K33G29-K33 WeakPolarHBondContact O-CG 3.02Å; G29-K33 PolarHBondContact O-N 3.03Å
30L70.7Confident67.7Low115 Ų11587.9 Ų87.960%0.60257%0.57SS**Hα-helixtrans-72-40.8173.9-134.1103.2000110.9G27 A28 K33 L34G27-L30 PolarHBondContact O-N 3.29Å; A28-L30 VanDerWaalsContact C-N 3.33Å; L30-K33 PolarHBondContact O-N 3.05Å; L30-L34 HydrophobicContact CD2-CD1 4.39Å; L30-L34 WeakPolarHBondContact O-CB 2.95Å; L30-L34 PolarHBondContact O-N 3.11Å
31G75.1Confident69.2Low29 Ų2988 Ų8830%0.29957%0.573SS.*Hα-helixtrans-63.6-41.9176.100000112.7G27 A28 L34 L35G27-G31 PolarHBondContact O-N 3.1Å; A28-G31 PolarHBondContact O-N 3.44Å; G31-L34 PolarHBondContact O-N 3.18Å; G31-L35 WeakPolarHBondContact O-CB 3.24Å; G31-L35 VanDerWaalsContact O-CG 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.35Å; G31-L35 PolarHBondContact O-N 3.26Å
32L79.1Confident70.8Confident85 Ų8586.4 Ų86.445%0.44557%0.565SS.*Hα-helixtrans-66-39.8174.7-174.262.3000112.3M20 A28 L35 L36M20-L32 HydrophobicContact CE-CD1 4.36Å; A28-L32 PolarHBondContact O-N 3.32Å; L32-L35 PolarHBondContact O-N 3.1Å; L32-L36 HydrophobicContact CD1-CD1 4.49Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CB 3.13Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.38Å
33K77.4Confident72.6Confident164 Ų16488.9 Ų88.971%0.71356%0.56SS**Hα-helixtrans-66.3-39.7174.4-73.7180-177.5-1740112.4G29 L30 G37G29-K33 WeakPolarHBondContact O-CG 3.02Å; G29-K33 PolarHBondContact O-N 3.03Å; L30-K33 PolarHBondContact O-N 3.05Å; K33-G37 PolarHBondContact O-N 2.78Å
34L84.1Confident74.4Confident120 Ų12086.1 Ų86.163%0.62855%0.546SS*.Hα-helixtrans-64.5-42.6174.2-93.8158.5000111.7L30 G31 G37 A38L30-L34 HydrophobicContact CD2-CD1 4.39Å; L30-L34 WeakPolarHBondContact O-CB 2.95Å; L30-L34 PolarHBondContact O-N 3.11Å; G31-L34 PolarHBondContact O-N 3.18Å; L34-G37 PolarHBondContact O-N 3Å; L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 2.83Å
35L82.7Confident76.1Confident128 Ų12887.3 Ų87.367%0.6753%0.532SS*.Hα-helixtrans-67.3-40.6176.4-75.3173.1000112.4G31 L32 G39G31-L35 WeakPolarHBondContact O-CB 3.24Å; G31-L35 VanDerWaalsContact O-CG 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.35Å; G31-L35 PolarHBondContact O-N 3.26Å; L32-L35 PolarHBondContact O-N 3.1Å; L35-G39 PolarHBondContact O-N 2.89Å
36L85.5Confident78Confident115 Ų11593 Ų9360%0.60254%0.544SS*.Hα-helixtrans-66.3-41173.9-75.2168.7000111.8L32 G39 A40L32-L36 HydrophobicContact CD1-CD1 4.49Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CB 3.13Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.38Å; L36-G39 PolarHBondContact O-N 3.47Å; L36-A40 VanDerWaalsContact O-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.27Å; L36-A40 PolarHBondContact O-N 3.42Å
37G87.4Confident79.5Confident33 Ų3386.3 Ų86.334%0.3452%0.516SS..Hα-helixtrans-64.4-45.9174.900000112.3K33 L34 A40 L41K33-G37 PolarHBondContact O-N 2.78Å; L34-G37 PolarHBondContact O-N 3Å; G37-A40 PolarHBondContact O-N 3.42Å; G37-L41 WeakPolarHBondContact O-CB 3.19Å; G37-L41 VanDerWaalsContact O-CG 3.31Å; G37-L41 WeakPolarHBondContact O-CG 3.41Å; G37-L41 PolarHBondContact O-N 3.25Å
38A85.7Confident80.8Confident57 Ų5784.6 Ų84.647%0.47150%0.498SS..Hα-helixtrans-64.1-40.6175.300000111.8L34 L41 A42L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 2.83Å; A38-L41 PolarHBondContact O-N 3.47Å; A38-A42 VanDerWaalsContact O-CB 3.3Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 2.85Å
39G87.2Confident82.1Confident41 Ų4184.2 Ų84.242%0.42349%0.49SS..Hα-helixtrans-64.3-43175.200000112.7L35 L36 A42 Y43L35-G39 PolarHBondContact O-N 2.89Å; L36-G39 PolarHBondContact O-N 3.47Å; G39-A42 PolarHBondContact O-N 3.22Å; G39-Y43 VanDerWaalsContact O-CB 3.29Å; G39-Y43 WeakPolarHBondContact O-CB 3.46Å; G39-Y43 PolarHBondContact O-N 2.93Å
40A84.5Confident83.2Confident65 Ų6583.1 Ų83.154%0.53747%0.471SS..Hα-helixtrans-65.4-39.7175.700000112.2L36 G37 G44L36-A40 VanDerWaalsContact O-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.27Å; L36-A40 PolarHBondContact O-N 3.42Å; G37-A40 PolarHBondContact O-N 3.42Å; A40-G44 PolarHBondContact O-N 2.84Å
41L84.8Confident84.1Confident124 Ų12481.9 Ų81.965%0.64947%0.469SS*.Hα-helixtrans-67.4-44.6174.9-73.4172.5000111.9G37 A38 Y43 G44 L45G37-L41 WeakPolarHBondContact O-CB 3.19Å; G37-L41 VanDerWaalsContact O-CG 3.31Å; G37-L41 WeakPolarHBondContact O-CG 3.41Å; G37-L41 PolarHBondContact O-N 3.25Å; A38-L41 PolarHBondContact O-N 3.47Å; L41-Y43 VanDerWaalsContact C-N 3.32Å; L41-Y43 PolarHBondContact O-N 2.77Å; L41-G44 PolarHBondContact O-N 3.42Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 3.42Å
42A84.8Confident84.8Confident61 Ų6180.7 Ų80.750%0.50446%0.455SS..Hα-helixtrans-62.2-40.9176.300000111.7A38 G39 K46A38-A42 VanDerWaalsContact O-CB 3.3Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 2.85Å; G39-A42 PolarHBondContact O-N 3.22Å; A42-K46 WeakPolarHBondContact O-CB 3.34Å; A42-K46 PolarHBondContact O-N 3.39Å
43Y85.3Confident85.2Confident150 Ų15082.7 Ų82.759%0.58846%0.463SS*.Hα-helixtrans-65.2-43.3173.8-176.5-100.5000111.8G39 L41 L45 K46 E47G39-Y43 VanDerWaalsContact O-CB 3.29Å; G39-Y43 WeakPolarHBondContact O-CB 3.46Å; G39-Y43 PolarHBondContact O-N 2.93Å; L41-Y43 VanDerWaalsContact C-N 3.32Å; L41-Y43 PolarHBondContact O-N 2.77Å; Y43-L45 PolarHBondContact O-N 2.98Å; Y43-K46 PolarHBondContact O-N 2.97Å; Y43-E47 WeakPolarHBondContact O-CB 3.14Å; Y43-E47 PolarHBondContact O-N 3.4Å
44G83.9Confident85.6Confident31 Ų3176.6 Ų76.632%0.3245%0.446SS..Hα-helixtrans-61.1-43.3176.100000112.9A40 L41 E47 A48A40-G44 PolarHBondContact O-N 2.84Å; L41-G44 PolarHBondContact O-N 3.42Å; G44-E47 PolarHBondContact O-N 3.37Å; G44-A48 WeakPolarHBondContact O-CB 3.34Å; G44-A48 PolarHBondContact O-N 3.41Å
45L84.3Confident85.7Confident111 Ų11171.8 Ų71.858%0.58143%0.425SS*.Hα-helixtrans-67-41.5176-71.1173.3000112.1L41 Y43 E47 A48 T49L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 3.42Å; Y43-L45 PolarHBondContact O-N 2.98Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-A48 PolarHBondContact O-N 3.25Å; L45-T49 WeakPolarHBondContact O-CB 3.29Å; L45-T49 PolarHBondContact O-N 3.36Å; L45-T49 PolarHBondContact O-OG1 3.37Å
46K84Confident86.1Confident162 Ų16267.9 Ų67.970%0.70440%0.404SS*.Hα-helixtrans-60.9-45.5174.9-177.2-170.8173.8-169.80111A42 Y43 T49A42-K46 WeakPolarHBondContact O-CB 3.34Å; A42-K46 PolarHBondContact O-N 3.39Å; Y43-K46 PolarHBondContact O-N 2.97Å; K46-T49 PolarHBondContact O-N 2.9Å
47E83.9Confident86.4Confident73 Ų7365.3 Ų65.334%0.34139%0.386SS..Hα-helixtrans-70.2-34.8-179.8-166.963.7-160.600111.6Y43 G44 L45 T49 R80 P82Y43-E47 WeakPolarHBondContact O-CB 3.14Å; Y43-E47 PolarHBondContact O-N 3.4Å; G44-E47 PolarHBondContact O-N 3.37Å; L45-E47 VanDerWaalsContact C-N 3.34Å; E47-T49 VanDerWaalsContact C-N 3.3Å; E47-T49 PolarHBondContact O-N 3.29Å; E47-R80 PolarHBondContact O-NE 2.84Å; E47-R80 PolarHBondContact O-NH2 2.93Å; E47-R80 IonicContact OE1-CZ 2.97Å; E47-R80 IonicContact OE1-NH2 2.8Å; E47-R80 PolarHBondContact OE1-NH2 2.85Å; E47-R80 IonicContact OE2-NH2 3.58Å; E47-P82 HydrophobicContact CB-CG 4.31Å; E47-P82 HydrophobicContact CG-CB 4.15Å; E47-P82 HydrophobicContact CG-CG 4.21Å
48A83.3Confident86.5Confident14 Ų1463.8 Ų63.812%0.11637%0.37CS..Hα-helixtrans-72.5-21.5177.200000113.3G44 L45 F79 R80 P82G44-A48 WeakPolarHBondContact O-CB 3.34Å; G44-A48 PolarHBondContact O-N 3.41Å; L45-A48 PolarHBondContact O-N 3.25Å; A48-F79 CarbonylContact O-C 3.5Å; A48-F79 WeakPolarHBondContact O-CA 3.48Å; A48-R80 VanDerWaalsContact CA-O 3.29Å; A48-R80 WeakPolarHBondContact CA-O 3.5Å; A48-R80 VanDerWaalsContact CB-O 3.29Å; A48-R80 WeakPolarHBondContact CB-O 3.47Å; A48-R80 WeakPolarHBondContact O-CG 3.41Å; A48-R80 PolarHBondContact O-N 3.27Å; A48-P82 HydrophobicContact CB-CG 3.91Å
49T86.6Confident86.7Confident43 Ų4361 Ų6126%0.26435%0.347SS..EExtended strand (participates in β ladder)trans-96.2134.2-178.5-50.30000110.2L45 K46 E47 L77 F79L45-T49 WeakPolarHBondContact O-CB 3.29Å; L45-T49 PolarHBondContact O-N 3.36Å; L45-T49 PolarHBondContact O-OG1 3.37Å; K46-T49 PolarHBondContact O-N 2.9Å; E47-T49 VanDerWaalsContact C-N 3.3Å; E47-T49 PolarHBondContact O-N 3.29Å; T49-L77 HydrophobicContact CG2-CD1 3.64Å; T49-L77 HydrophobicContact CG2-CD2 3.64Å; T49-L77 HydrophobicContact CG2-CG 3.53Å; T49-F79 HydrophobicContact CG2-CE1 4.37Å; T49-F79 WeakPolarHBondContact OG1-CE1 3.38Å
50Y87.5Confident86.8Confident24 Ų2459.6 Ų59.69%0.09433%0.33CS..EExtended strand (participates in β ladder)trans-141.5150.3169.671.6-79000110.4V52 A58 L73 H78 R80 P87Y50-V52 HydrophobicContact CD2-CG2 4.12Å; Y50-V52 HydrophobicContact CE2-CG2 3.72Å; Y50-A58 HydrophobicContact CE2-CB 4.07Å; Y50-L73 WeakPolarHBondContact OH-CD1 3.25Å; Y50-H78 HydrophobicContact CD1-CB 4.25Å; Y50-H78 WeakPolarHBondContact CD1-O 3.24Å; Y50-H78 HydrophobicContact CE1-CB 3.62Å; Y50-H78 HydrophobicContact CE2-CB 3.98Å; Y50-H78 VanDerWaalsContact CZ-CB 3.48Å; Y50-H78 PolarHBondContact N-O 3.22Å; Y50-H78 PolarHBondContact O-N 2.9Å; Y50-H78 VanDerWaalsContact O-O 3.07Å; Y50-R80 HydrophobicContact CD1-CB 4.02Å; Y50-R80 HydrophobicContact CD1-CG 3.93Å; Y50-R80 HydrophobicContact CE1-CB 3.8Å; Y50-R80 HydrophobicContact CE1-CG 4.24Å; Y50-P87 HydrophobicContact CD1-CG 4.26Å; Y50-P87 HydrophobicContact CD2-CB 4.08Å; Y50-P87 HydrophobicContact CD2-CG 4.14Å; Y50-P87 HydrophobicContact CE1-CB 4.18Å; Y50-P87 HydrophobicContact CE1-CG 4.26Å; Y50-P87 HydrophobicContact CE2-CB 3.61Å; Y50-P87 HydrophobicContact CE2-CG 4.15Å; Y50-P87 HydrophobicContact CG-CG 4.19Å
51T88.4Confident87Confident90 Ų9060.1 Ų60.155%0.55232%0.32SS*.EExtended strand (participates in β ladder)trans-111.8132.6-178.5-53.10000109.4
52V90.1Very high87.2Confident3 Ų355.6 Ų55.62%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-97.6119.5171.7-179.60000107.8Y50 Q56 A58 G76Y50-V52 HydrophobicContact CD2-CG2 4.12Å; Y50-V52 HydrophobicContact CE2-CG2 3.72Å; V52-Q56 HydrophobicContact CG1-CB 3.92Å; V52-A58 HydrophobicContact CG2-CB 3.58Å; V52-G76 PolarHBondContact N-O 2.87Å; V52-G76 PolarHBondContact O-N 2.87Å
53E88Confident87.1Confident128 Ų12860.1 Ų60.160%0.59830%0.301SS*.PPolyproline II helixtrans-71.4158-179.8-62.9-176.2168.900112G55 Q56E53-G55 PolarHBondContact O-N 2.85Å; E53-Q56 WeakPolarHBondContact O-CB 3.32Å; E53-Q56 PolarHBondContact O-N 3.44Å
54G86.1Confident86.9Confident36 Ų3658.9 Ų58.937%0.37131%0.308SS..THydrogen-bonded Turntrans-59.7132.1177.400000112.1Q56 E75 R93G54-Q56 VanDerWaalsContact C-N 3.32Å; G54-E75 WeakPolarHBondContact CA-OE2 3.34Å; G54-R93 PolarHBondContact O-NH2 2.88Å
55G85.7Confident86.6Confident18 Ų1860.4 Ų60.419%0.18632%0.324CS..THydrogen-bonded Turntrans78.812.8-173.800000114.8E53 I92E53-G55 PolarHBondContact O-N 2.85Å; G55-I92 VanDerWaalsContact C-CG1 3.49Å; G55-I92 WeakPolarHBondContact O-CG1 3.41Å; G55-I92 PolarHBondContact O-N 3.2Å; G55-I92 VanDerWaalsContact O-N 3.11Å
56Q91.4Very high86.5Confident46 Ų4656.5 Ų56.522%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-114.4160.8164.9-64.4173.9-7.800110.8V52 E53 G54 I89 Y90V52-Q56 HydrophobicContact CG1-CB 3.92Å; E53-Q56 WeakPolarHBondContact O-CB 3.32Å; E53-Q56 PolarHBondContact O-N 3.44Å; G54-Q56 VanDerWaalsContact C-N 3.32Å; Q56-I89 HydrophobicContact CB-CG2 3.85Å; Q56-I89 HydrophobicContact CG-CG2 4.12Å; Q56-Y90 CarbonylContact C-O 3.53Å; Q56-Y90 WeakPolarHBondContact CA-O 3.5Å; Q56-Y90 VanDerWaalsContact CB-O 3.31Å; Q56-Y90 WeakPolarHBondContact CB-O 3.31Å
57R90.8Very high86.4Confident62 Ų6249.8 Ų49.823%0.23428%0.282CS..EExtended strand (participates in β ladder)trans-133.2139.1171.3-72.3-65.7-169.1-120.98.4108.7I72 L73 A74 Y90 I92 L126R57-I72 HydrophobicContact CB-CG2 4.4Å; R57-I72 HydrophobicContact CG-CG2 4.45Å; R57-L73 WeakPolarHBondContact CD-O 3.41Å; R57-A74 VanDerWaalsContact NH1-CA 3.29Å; R57-Y90 PolarHBondContact N-O 2.94Å; R57-Y90 PolarHBondContact O-N 3.43Å; R57-I92 HydrophobicContact CB-CG2 4.06Å; R57-I92 HydrophobicContact CG-CD1 4.01Å; R57-I92 HydrophobicContact CG-CG1 4.4Å; R57-I92 HydrophobicContact CG-CG2 3.76Å; R57-L126 HydrophobicContact CB-CD1 3.41Å; R57-L126 VanDerWaalsContact CB-CD1 3.41Å; R57-L126 HydrophobicContact CG-CD1 4.05Å
58A90.1Very high86.3Confident0 Ų049 Ų490%028%0.278CS..EExtended strand (participates in β ladder)trans-105.8139.2175.400000110.6Y50 V52 L73 I88 I89Y50-A58 HydrophobicContact CE2-CB 4.07Å; V52-A58 HydrophobicContact CG2-CB 3.58Å; A58-L73 HydrophobicContact CB-CB 4.28Å; A58-L73 PolarHBondContact N-O 3.34Å; A58-L73 VanDerWaalsContact N-O 3.12Å; A58-L73 PolarHBondContact O-N 3.41Å; A58-I88 WeakPolarHBondContact CA-O 3.46Å; A58-I89 HydrophobicContact CB-CG1 4.45Å
59I90.8Very high85.9Confident0 Ų051.4 Ų51.40%029%0.288CS..EExtended strand (participates in β ladder)trans-115.6143.2168.664.6-161.4000108.1M67 I88 Y90 L126 P127 Y130I59-M67 HydrophobicContact CB-CE 3.87Å; I59-M67 HydrophobicContact CD1-CE 3.21Å; I59-M67 HydrophobicContact CG1-CE 3.57Å; I59-I88 HydrophobicContact CD1-CB 4.28Å; I59-I88 HydrophobicContact CD1-CG2 4.3Å; I59-I88 HydrophobicContact CG1-CB 3.78Å; I59-I88 HydrophobicContact CG1-CD1 4.35Å; I59-I88 HydrophobicContact CG1-CG2 4.31Å; I59-I88 PolarHBondContact N-O 3.26Å; I59-I88 PolarHBondContact O-N 2.84Å; I59-Y90 HydrophobicContact CD1-CD2 3.73Å; I59-Y90 HydrophobicContact CD1-CE2 3.44Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.44Å; I59-Y90 HydrophobicContact CG1-CD2 4.48Å; I59-L126 HydrophobicContact CG2-CB 3.76Å; I59-P127 HydrophobicContact CG2-CG 4.05Å; I59-Y130 HydrophobicContact CD1-CD1 4.38Å; I59-Y130 HydrophobicContact CD1-CD2 4.46Å; I59-Y130 HydrophobicContact CD1-CG 3.93Å
60I88.8Confident85.3Confident10 Ų1056.9 Ų56.95%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-102.6126.5-176.1-63.9167.1000109.9N62 Q68 T71 L73 Q85I60-N62 WeakPolarHBondContact CG2-OD1 3.38Å; I60-Q68 PolarHBondContact O-N 2.98Å; I60-Q68 VanDerWaalsContact O-N 3.14Å; I60-T71 HydrophobicContact CD1-CG2 4.39Å; I60-L73 HydrophobicContact CD1-CD1 3.42Å; I60-L73 VanDerWaalsContact CD1-CD1 3.42Å; I60-L73 HydrophobicContact CD1-CG 4.32Å; I60-L73 HydrophobicContact CG1-CD1 3.97Å; I60-Q85 HydrophobicContact CG2-CB 3.96Å; I60-Q85 HydrophobicContact CG2-CG 4.29Å
61F89Confident84.8Confident76 Ų7658.1 Ų58.133%0.33333%0.326SS..EExtended strand (participates in β ladder)trans-99.7119.6166.9177.5-99.7000110.1M67 Y86 I88F61-M67 HydrophobicContact CD2-CB 4.32Å; F61-Y86 HydrophobicContact CD1-CD2 4.18Å; F61-Y86 PolarHBondContact N-O 3.17Å; F61-Y86 PolarHBondContact O-N 2.91Å; F61-I88 HydrophobicContact CB-CD1 3.98Å
62N88.4Confident84.5Confident29 Ų2956.5 Ų56.516%0.15531%0.313CS..EExtended strand (participates in β ladder)trans-94.5132.2174.3-66.5-26.3000110.5I60 V64 G66 Q68 F84 Q85I60-N62 WeakPolarHBondContact CG2-OD1 3.38Å; N62-V64 VanDerWaalsContact C-N 3.28Å; N62-V64 PolarHBondContact O-N 3.36Å; N62-G66 WeakPolarHBondContact CA-O 3.24Å; N62-G66 WeakPolarHBondContact CB-O 3.43Å; N62-G66 PolarHBondContact N-O 2.9Å; N62-G66 CarbonylContact O-C 3.48Å; N62-G66 VanDerWaalsContact O-CA 3.31Å; N62-G66 WeakPolarHBondContact O-CA 3.23Å; N62-G66 PolarHBondContact O-N 3.47Å; N62-Q68 VanDerWaalsContact ND2-CD 3.29Å; N62-Q68 WeakPolarHBondContact ND2-CG 3.35Å; N62-Q68 PolarHBondContact ND2-NE2 2.94Å; N62-F84 CarbonylContact C-O 3.4Å; N62-F84 VanDerWaalsContact CA-O 3.27Å; N62-F84 WeakPolarHBondContact CA-O 3.4Å; N62-Q85 VanDerWaalsContact OD1-CG 3.3Å; N62-Q85 WeakPolarHBondContact OD1-CG 3.38Å; N62-Q85 PolarHBondContact OD1-NE2 3.43Å
63R82.8Confident84.2Confident156 Ų15657.8 Ų57.859%0.58932%0.32SS*.THydrogen-bonded Turntrans-65-28.5-179.7-166.815782.4147.13.3114.1F84 Y86R63-F84 PolarHBondContact N-O 3.03Å; R63-Y86 HydrophobicContact CB-CE2 4.44Å
64V81.9Confident84.1Confident124 Ų12453.7 Ų53.775%0.75231%0.308SS*.THydrogen-bonded Turntrans-99.2-35.2-177.7-179.30000112.1N62 F84N62-V64 VanDerWaalsContact C-N 3.28Å; N62-V64 PolarHBondContact O-N 3.36Å; V64-F84 HydrophobicContact CG2-CD1 3.92Å; V64-F84 HydrophobicContact CG2-CE1 4Å
65G76.3Confident84.2Confident64 Ų6457.6 Ų57.666%0.6632%0.317SS*.THydrogen-bonded Turntrans-107.35.5-173.700000114.8
66G83.3Confident84.3Confident28 Ų2858.2 Ų58.229%0.28932%0.322SS..EExtended strand (participates in β ladder)trans68-153.1-175.700000112.7N62N62-G66 WeakPolarHBondContact CA-O 3.24Å; N62-G66 WeakPolarHBondContact CB-O 3.43Å; N62-G66 PolarHBondContact N-O 2.9Å; N62-G66 CarbonylContact O-C 3.48Å; N62-G66 VanDerWaalsContact O-CA 3.31Å; N62-G66 WeakPolarHBondContact O-CA 3.23Å; N62-G66 PolarHBondContact O-N 3.47Å
67M81.2Confident84.1Confident22 Ų2260.8 Ų60.811%0.10834%0.337CS..EExtended strand (participates in β ladder)trans-83.4131.9-175.1-171-177.7-160.800112I59 F61 M69 P127 Y130 Q131I59-M67 HydrophobicContact CB-CE 3.87Å; I59-M67 HydrophobicContact CD1-CE 3.21Å; I59-M67 HydrophobicContact CG1-CE 3.57Å; F61-M67 HydrophobicContact CD2-CB 4.32Å; M67-M69 HydrophobicContact CB-CE 3.43Å; M67-M69 VanDerWaalsContact CB-CE 3.43Å; M67-M69 HydrophobicContact CG-CE 3.39Å; M67-M69 VanDerWaalsContact O-CE 3.27Å; M67-M69 WeakPolarHBondContact O-CE 3.38Å; M67-M69 PolarHBondContact O-N 3.41Å; M67-M69 HydrophobicContact SD-CE 3.49Å; M67-M69 WeakPolarHBondContact SD-CE 3.39Å; M67-P127 HydrophobicContact CE-CB 3.82Å; M67-P127 HydrophobicContact SD-CB 4.04Å; M67-Y130 HydrophobicContact CE-CD1 3.51Å; M67-Y130 HydrophobicContact CE-CE1 4.45Å; M67-Y130 HydrophobicContact CE-CG 3.98Å; M67-Y130 HydrophobicContact SD-CD1 3.72Å; M67-Q131 HydrophobicContact SD-CG 3.55Å; M67-Q131 VanDerWaalsContact SD-CG 3.55Å
68Q81.1Confident84Confident55 Ų5559.7 Ų59.726%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-77.4112175.4-66.8-177.4-37.100110.2I60 N62I60-Q68 PolarHBondContact O-N 2.98Å; I60-Q68 VanDerWaalsContact O-N 3.14Å; N62-Q68 VanDerWaalsContact ND2-CD 3.29Å; N62-Q68 WeakPolarHBondContact ND2-CG 3.35Å; N62-Q68 PolarHBondContact ND2-NE2 2.94Å
69M75Confident83.9Confident66 Ų6666.3 Ų66.333%0.32536%0.364SS..EExtended strand (participates in β ladder)trans-75.2-31.6-178.3-65.1-60.9108.800113.3M67 P127 V128 Q131M67-M69 HydrophobicContact CB-CE 3.43Å; M67-M69 VanDerWaalsContact CB-CE 3.43Å; M67-M69 HydrophobicContact CG-CE 3.39Å; M67-M69 VanDerWaalsContact O-CE 3.27Å; M67-M69 WeakPolarHBondContact O-CE 3.38Å; M67-M69 PolarHBondContact O-N 3.41Å; M67-M69 HydrophobicContact SD-CE 3.49Å; M67-M69 WeakPolarHBondContact SD-CE 3.39Å; M69-P127 HydrophobicContact CE-CB 3.82Å; M69-P127 WeakPolarHBondContact O-CG 3.36Å; M69-P127 HydrophobicContact SD-CB 3.74Å; M69-V128 HydrophobicContact SD-CG2 4.39Å; M69-Q131 HydrophobicContact CE-CG 4.17Å
70D74.7Confident83.7Confident157 Ų15768.3 Ų68.384%0.8437%0.371SS*.EExtended strand (participates in β ladder)trans-95.9-5.1-172.8-58.2-38.7000113.3
71T76.3Confident83.6Confident50 Ų5072.5 Ų72.531%0.30739%0.393SS..EExtended strand (participates in β ladder)trans-10886.1-170.8-41.80000111I60 L73I60-T71 HydrophobicContact CD1-CG2 4.39Å; T71-L73 HydrophobicContact CG2-CD2 4.12Å; T71-L73 HydrophobicContact CG2-CG 4.33Å
72I83.2Confident83.1Confident56 Ų5670.4 Ų70.429%0.28739%0.387SS..EExtended strand (participates in β ladder)trans-101.1111.3171.9-61.3150.8000108.2R57 A123 S124 L126 P127R57-I72 HydrophobicContact CB-CG2 4.4Å; R57-I72 HydrophobicContact CG-CG2 4.45Å; I72-A123 WeakPolarHBondContact CD1-O 3.45Å; I72-S124 VanDerWaalsContact CD1-O 3.27Å; I72-S124 WeakPolarHBondContact CD1-O 3.47Å; I72-L126 HydrophobicContact CG2-CD1 4.48Å; I72-P127 HydrophobicContact CG1-CG 4.06Å
73L84.5Confident82.7Confident31 Ų3178 Ų7816%0.16241%0.413CS..EExtended strand (participates in β ladder)trans-87.9125.2-178.1-64.4176.6000110.4Y50 R57 A58 I60 T71 H78Y50-L73 WeakPolarHBondContact OH-CD1 3.25Å; R57-L73 WeakPolarHBondContact CD-O 3.41Å; A58-L73 HydrophobicContact CB-CB 4.28Å; A58-L73 PolarHBondContact N-O 3.34Å; A58-L73 VanDerWaalsContact N-O 3.12Å; A58-L73 PolarHBondContact O-N 3.41Å; I60-L73 HydrophobicContact CD1-CD1 3.42Å; I60-L73 VanDerWaalsContact CD1-CD1 3.42Å; I60-L73 HydrophobicContact CD1-CG 4.32Å; I60-L73 HydrophobicContact CG1-CD1 3.97Å; T71-L73 HydrophobicContact CG2-CD2 4.12Å; T71-L73 HydrophobicContact CG2-CG 4.33Å; L73-H78 HydrophobicContact CD1-CB 4.2Å
74A85.9Confident82.9Confident42 Ų4275.7 Ų75.735%0.34741%0.408SS..  trans-71.8178.9175.400000111.8R57 H78R57-A74 VanDerWaalsContact NH1-CA 3.29Å; A74-H78 PolarHBondContact O-NE2 3.07Å
75E87.3Confident83.1Confident118 Ų11871.3 Ų71.355%0.55138%0.379SS*.SBendtrans-57.9145.2172.460.8-166.3-151.400111.2G54G54-E75 WeakPolarHBondContact CA-OE2 3.34Å
76G87.9Confident83.7Confident30 Ų3073 Ų7331%0.30937%0.367SS..EExtended strand (participates in β ladder)trans133.4179.6-178.400000114.3V52 H78V52-G76 PolarHBondContact N-O 2.87Å; V52-G76 PolarHBondContact O-N 2.87Å; G76-H78 PolarHBondContact O-CD2 3.33Å; G76-H78 VanDerWaalsContact O-CD2 3.28Å
77L88.1Confident84Confident101 Ų10173.4 Ų73.453%0.52936%0.364SS..EExtended strand (participates in β ladder)trans-84.9121.8177.6-176.1147.5000109.3T49 F79T49-L77 HydrophobicContact CG2-CD1 3.64Å; T49-L77 HydrophobicContact CG2-CD2 3.64Å; T49-L77 HydrophobicContact CG2-CG 3.53Å; L77-F79 HydrophobicContact CD2-CD2 4.38Å; L77-F79 HydrophobicContact CD2-CE1 4.37Å; L77-F79 HydrophobicContact CD2-CE2 3.7Å; L77-F79 HydrophobicContact CD2-CZ 3.7Å
78H87.9Confident84.4Confident39 Ų3973.6 Ų73.618%0.18137%0.365CS..EExtended strand (participates in β ladder)trans-121.8152.6-178.7-66.9-73.5000110.6Y50 L73 A74 G76Y50-H78 HydrophobicContact CD1-CB 4.25Å; Y50-H78 WeakPolarHBondContact CD1-O 3.24Å; Y50-H78 HydrophobicContact CE1-CB 3.62Å; Y50-H78 HydrophobicContact CE2-CB 3.98Å; Y50-H78 VanDerWaalsContact CZ-CB 3.48Å; Y50-H78 PolarHBondContact N-O 3.22Å; Y50-H78 PolarHBondContact O-N 2.9Å; Y50-H78 VanDerWaalsContact O-O 3.07Å; L73-H78 HydrophobicContact CD1-CB 4.2Å; A74-H78 PolarHBondContact O-NE2 3.07Å; G76-H78 PolarHBondContact O-CD2 3.33Å; G76-H78 VanDerWaalsContact O-CD2 3.28Å
79F87.1Confident84.8Confident139 Ų13973.9 Ų73.961%0.6137%0.368SS*.EExtended strand (participates in β ladder)trans-104.9132176.3-66.4-82.5000109.7A48 T49 L77A48-F79 CarbonylContact O-C 3.5Å; A48-F79 WeakPolarHBondContact O-CA 3.48Å; T49-F79 HydrophobicContact CG2-CE1 4.37Å; T49-F79 WeakPolarHBondContact OG1-CE1 3.38Å; L77-F79 HydrophobicContact CD2-CD2 4.38Å; L77-F79 HydrophobicContact CD2-CE1 4.37Å; L77-F79 HydrophobicContact CD2-CE2 3.7Å; L77-F79 HydrophobicContact CD2-CZ 3.7Å
80R86.6Confident85.6Confident41 Ų4171 Ų7116%0.15535%0.353CS..  trans-114.7149.9169.165.3176-177.5117.4-2.2109.5E47 A48 Y50 P82 Q85E47-R80 PolarHBondContact O-NE 2.84Å; E47-R80 PolarHBondContact O-NH2 2.93Å; E47-R80 IonicContact OE1-CZ 2.97Å; E47-R80 IonicContact OE1-NH2 2.8Å; E47-R80 PolarHBondContact OE1-NH2 2.85Å; E47-R80 IonicContact OE2-NH2 3.58Å; A48-R80 VanDerWaalsContact CA-O 3.29Å; A48-R80 WeakPolarHBondContact CA-O 3.5Å; A48-R80 VanDerWaalsContact CB-O 3.29Å; A48-R80 WeakPolarHBondContact CB-O 3.47Å; A48-R80 WeakPolarHBondContact O-CG 3.41Å; A48-R80 PolarHBondContact O-N 3.27Å; Y50-R80 HydrophobicContact CD1-CB 4.02Å; Y50-R80 HydrophobicContact CD1-CG 3.93Å; Y50-R80 HydrophobicContact CE1-CB 3.8Å; Y50-R80 HydrophobicContact CE1-CG 4.24Å; R80-P82 VanDerWaalsContact O-CD 3.24Å; R80-P82 WeakPolarHBondContact O-CD 3.47Å; R80-Q85 HydrophobicContact CB-CB 4.11Å
81I86.9Confident86.4Confident98 Ų9865.5 Ų65.550%0.50332%0.324SS..  trans-81.9111.9166.1-60.3164.5000107.3F84 Q85I81-F84 HydrophobicContact CG2-CB 4.26Å; I81-F84 HydrophobicContact CG2-CD2 3.97Å; I81-F84 PolarHBondContact O-N 3.42Å; I81-Q85 HydrophobicContact CB-CG 4.08Å; I81-Q85 PolarHBondContact O-N 2.85Å
82P78.5Confident87Confident32 Ų3264.9 Ų64.921%0.20832%0.318CS..THydrogen-bonded Turntrans-54.4147.9177.3-24.236.9000109.9E47 A48 R80 F84E47-P82 HydrophobicContact CB-CG 4.31Å; E47-P82 HydrophobicContact CG-CB 4.15Å; E47-P82 HydrophobicContact CG-CG 4.21Å; A48-P82 HydrophobicContact CB-CG 3.91Å; R80-P82 VanDerWaalsContact O-CD 3.24Å; R80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-F84 PolarHBondContact O-N 3.19Å; P82-F84 VanDerWaalsContact O-N 3.09Å
83W80.8Confident87.5Confident188 Ų18869.4 Ų69.471%0.71233%0.332SS*.THydrogen-bonded Turntrans74.5-29.3-178.2-52.672.5000117.2
84F86.1Confident87.8Confident109 Ų10970 Ų7048%0.47834%0.341SS..THydrogen-bonded Turntrans-103.1-33.9-179.6-69.3-83.4000112.8N62 R63 V64 I81 P82N62-F84 CarbonylContact C-O 3.4Å; N62-F84 VanDerWaalsContact CA-O 3.27Å; N62-F84 WeakPolarHBondContact CA-O 3.4Å; R63-F84 PolarHBondContact N-O 3.03Å; V64-F84 HydrophobicContact CG2-CD1 3.92Å; V64-F84 HydrophobicContact CG2-CE1 4Å; I81-F84 HydrophobicContact CG2-CB 4.26Å; I81-F84 HydrophobicContact CG2-CD2 3.97Å; I81-F84 PolarHBondContact O-N 3.42Å; P82-F84 PolarHBondContact O-N 3.19Å; P82-F84 VanDerWaalsContact O-N 3.09Å
85Q87.8Confident88.1Confident32 Ų3272.4 Ų72.415%0.1534%0.344CS..EExtended strand (participates in β ladder)trans-115.9126.4-174.5-55.7-169.1-4400111.2I60 N62 R80 I81I60-Q85 HydrophobicContact CG2-CB 3.96Å; I60-Q85 HydrophobicContact CG2-CG 4.29Å; N62-Q85 VanDerWaalsContact OD1-CG 3.3Å; N62-Q85 WeakPolarHBondContact OD1-CG 3.38Å; N62-Q85 PolarHBondContact OD1-NE2 3.43Å; R80-Q85 HydrophobicContact CB-CB 4.11Å; I81-Q85 HydrophobicContact CB-CG 4.08Å; I81-Q85 PolarHBondContact O-N 2.85Å
86Y88.5Confident88.5Confident100 Ų10071.1 Ų71.139%0.39235%0.346SS..EExtended strand (participates in β ladder)trans-117.4108.5177.6-64.2-86.5000109.2F61 R63F61-Y86 HydrophobicContact CD1-CD2 4.18Å; F61-Y86 PolarHBondContact N-O 3.17Å; F61-Y86 PolarHBondContact O-N 2.91Å; R63-Y86 HydrophobicContact CB-CE2 4.44Å
87P88.6Confident88.7Confident36 Ų3672.9 Ų72.923%0.23434%0.343CS..EExtended strand (participates in β ladder)trans-75.912817630.6-33.6000109.9Y50Y50-P87 HydrophobicContact CD1-CG 4.26Å; Y50-P87 HydrophobicContact CD2-CB 4.08Å; Y50-P87 HydrophobicContact CD2-CG 4.14Å; Y50-P87 HydrophobicContact CE1-CB 4.18Å; Y50-P87 HydrophobicContact CE1-CG 4.26Å; Y50-P87 HydrophobicContact CE2-CB 3.61Å; Y50-P87 HydrophobicContact CE2-CG 4.15Å; Y50-P87 HydrophobicContact CG-CG 4.19Å
88I89.9Confident89Confident25 Ų2575.2 Ų75.213%0.12835%0.349CS..EExtended strand (participates in β ladder)trans-106.7115.4172.7-61.2148.3000107A58 I59 F61 Y90 Y130A58-I88 WeakPolarHBondContact CA-O 3.46Å; I59-I88 HydrophobicContact CD1-CB 4.28Å; I59-I88 HydrophobicContact CD1-CG2 4.3Å; I59-I88 HydrophobicContact CG1-CB 3.78Å; I59-I88 HydrophobicContact CG1-CD1 4.35Å; I59-I88 HydrophobicContact CG1-CG2 4.31Å; I59-I88 PolarHBondContact N-O 3.26Å; I59-I88 PolarHBondContact O-N 2.84Å; F61-I88 HydrophobicContact CB-CD1 3.98Å; I88-Y90 HydrophobicContact CG2-CD2 4.03Å; I88-Y90 HydrophobicContact CG2-CE2 3.78Å; I88-Y130 HydrophobicContact CD1-CD1 4.12Å; I88-Y130 HydrophobicContact CD1-CE1 3.43Å; I88-Y130 VanDerWaalsContact CD1-CE1 3.43Å; I88-Y130 HydrophobicContact CD1-CE2 3.92Å; I88-Y130 WeakPolarHBondContact CD1-OH 3.36Å; I88-Y130 HydrophobicContact CG2-CD2 4.3Å; I88-Y130 HydrophobicContact CG2-CE2 4.02Å
89I90.2Very high89.2Confident61 Ų6174.1 Ų74.131%0.31334%0.344SS..EExtended strand (participates in β ladder)trans-92.9125.7-176.3-57.6171.3000109Q56 A58Q56-I89 HydrophobicContact CB-CG2 3.85Å; Q56-I89 HydrophobicContact CG-CG2 4.12Å; A58-I89 HydrophobicContact CB-CG1 4.45Å
90Y90.9Very high89.5Confident6 Ų671.6 Ų71.62%0.02434%0.344CS..EExtended strand (participates in β ladder)trans-109.7139.4174.9-91.3-91.2000111.1Q56 R57 I59 I88 L126 M129 Y130 G134 K135 Y137Q56-Y90 CarbonylContact C-O 3.53Å; Q56-Y90 WeakPolarHBondContact CA-O 3.5Å; Q56-Y90 VanDerWaalsContact CB-O 3.31Å; Q56-Y90 WeakPolarHBondContact CB-O 3.31Å; R57-Y90 PolarHBondContact N-O 2.94Å; R57-Y90 PolarHBondContact O-N 3.43Å; I59-Y90 HydrophobicContact CD1-CD2 3.73Å; I59-Y90 HydrophobicContact CD1-CE2 3.44Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.44Å; I59-Y90 HydrophobicContact CG1-CD2 4.48Å; I88-Y90 HydrophobicContact CG2-CD2 4.03Å; I88-Y90 HydrophobicContact CG2-CE2 3.78Å; Y90-L126 HydrophobicContact CD1-CD2 4.38Å; Y90-L126 HydrophobicContact CG-CD2 4.27Å; Y90-M129 HydrophobicContact CD1-CE 4.01Å; Y90-M129 HydrophobicContact CE1-CE 3.48Å; Y90-M129 VanDerWaalsContact CE1-CE 3.48Å; Y90-Y130 AromaticContact CE2-CD2 3.88Å; Y90-Y130 HydrophobicContact CE2-CD2 3.88Å; Y90-Y130 HydrophobicContact CE2-CG 4.33Å; Y90-Y130 AromaticContact CZ-CD2 3.98Å; Y90-Y130 WeakPolarHBondContact OH-CB 3.4Å; Y90-Y130 VanDerWaalsContact OH-CD2 3.23Å; Y90-Y130 WeakPolarHBondContact OH-CD2 3.43Å; Y90-G134 PolarHBondContact OH-O 3.49Å; Y90-K135 WeakPolarHBondContact OH-CA 3.38Å; Y90-Y137 HydrophobicContact CD1-CE1 4.38Å; Y90-Y137 HydrophobicContact CE1-CD1 4.01Å; Y90-Y137 HydrophobicContact CE1-CE1 4.13Å
91D91.1Very high89.8Confident42 Ų4270.1 Ų70.123%0.22534%0.34CS..EExtended strand (participates in β ladder)trans-86.9120.4168.5-171.8-6.4000109.2R93 K95 P121D91-R93 VanDerWaalsContact OD1-CB 3.22Å; D91-R93 WeakPolarHBondContact OD1-CB 3.28Å; D91-R93 VanDerWaalsContact OD1-CG 3.25Å; D91-R93 WeakPolarHBondContact OD1-CG 3.43Å; D91-R93 PolarHBondContact OD1-N 3.38Å; D91-K95 WeakPolarHBondContact OD2-CE 3.32Å; D91-K95 IonicContact OD2-NZ 3.28Å; D91-K95 PolarHBondContact OD2-NZ 2.95Å; D91-P121 WeakPolarHBondContact O-CG 3.4Å
92I90.4Very high90.2Very high37 Ų3770.5 Ų70.519%0.1934%0.342CS..  trans-96.55179.956.4159.3000112.5G55 R57 P121 A123 L126G55-I92 VanDerWaalsContact C-CG1 3.49Å; G55-I92 WeakPolarHBondContact O-CG1 3.41Å; G55-I92 PolarHBondContact O-N 3.2Å; G55-I92 VanDerWaalsContact O-N 3.11Å; R57-I92 HydrophobicContact CB-CG2 4.06Å; R57-I92 HydrophobicContact CG-CD1 4.01Å; R57-I92 HydrophobicContact CG-CG1 4.4Å; R57-I92 HydrophobicContact CG-CG2 3.76Å; I92-P121 HydrophobicContact CG2-CG 4.3Å; I92-A123 HydrophobicContact CG2-CB 4.49Å; I92-L126 HydrophobicContact CG2-CD1 4.24Å
93R91.8Very high90.8Very high150 Ų15069.1 Ų69.157%0.56633%0.334SS*.SBendtrans-76.2150.3177.3-60.1174.2-177.5-171.43.3110.9G54 D91 K95G54-R93 PolarHBondContact O-NH2 2.88Å; D91-R93 VanDerWaalsContact OD1-CB 3.22Å; D91-R93 WeakPolarHBondContact OD1-CB 3.28Å; D91-R93 VanDerWaalsContact OD1-CG 3.25Å; D91-R93 WeakPolarHBondContact OD1-CG 3.43Å; D91-R93 PolarHBondContact OD1-N 3.38Å; R93-K95 PolarHBondContact O-N 3.12Å
94A92.8Very high91.4Very high44 Ų4461.7 Ų61.736%0.36432%0.315SS..  trans-65.4124.6175.200000110.7L118 S119 D189A94-L118 HydrophobicContact CB-CD2 4.5Å; A94-S119 WeakPolarHBondContact CA-O 3.24Å; A94-D189 WeakPolarHBondContact CB-OD2 3.35Å
95K92.1Very high91.8Very high92 Ų9256.7 Ų56.740%0.429%0.294SS..EExtended strand (participates in β ladder)trans-111.5128.6176.2-67.1-176.3-177.6-179.20110.1D91 R93 S119D91-K95 WeakPolarHBondContact OD2-CE 3.32Å; D91-K95 IonicContact OD2-NZ 3.28Å; D91-K95 PolarHBondContact OD2-NZ 2.95Å; R93-K95 PolarHBondContact O-N 3.12Å; K95-S119 PolarHBondContact N-O 2.85Å; K95-S119 PolarHBondContact O-N 3.35Å; K95-S119 VanDerWaalsContact O-N 3.15Å
96P93.9Very high92.1Very high92 Ų9261.6 Ų61.660%0.59731%0.314SS*.EExtended strand (participates in β ladder)trans-76.8133.7174.628.8-30.9000110.1V117 L118P96-V117 WeakPolarHBondContact CA-O 3.38Å; P96-L118 HydrophobicContact CB-CD2 3.66Å; P96-L118 HydrophobicContact CG-CD2 4.3Å
97R92.4Very high92.3Very high67 Ų6759.5 Ų59.525%0.25331%0.31SS..EExtended strand (participates in β ladder)trans-131132.5170.7-165.3174.2-178.31132.8109.6I99 R116 V117 D138 E139R97-I99 HydrophobicContact CG-CD1 4.39Å; R97-I99 HydrophobicContact CG-CG1 4.16Å; R97-R116 CarbonylContact O-C 3.59Å; R97-R116 WeakPolarHBondContact O-CA 3.34Å; R97-V117 HydrophobicContact CB-CG2 4.07Å; R97-V117 PolarHBondContact N-O 3.14Å; R97-V117 PolarHBondContact O-N 2.87Å; R97-D138 IonicContact NH1-OD2 3.42Å; R97-D138 PolarHBondContact NH1-OD2 3.4Å; R97-E139 VanDerWaalsContact NH1-CG 3.26Å
98K93.9Very high92.4Very high149 Ų14965.2 Ų65.265%0.64834%0.338SS*.EExtended strand (participates in β ladder)trans-100.9127.5172.6-67.3-177.9-179.3-177.40108.4V115 R116K98-V115 CarbonylContact C-O 3.57Å; K98-V115 WeakPolarHBondContact CA-O 3.45Å; K98-R116 HydrophobicContact CG-CB 4.28Å; K98-R116 HydrophobicContact CG-CG 4.33Å
99I93.8Very high92.5Very high16 Ų1667 Ų678%0.08235%0.346CS..EExtended strand (participates in β ladder)trans-128.5127.9179.4-61.8163.2000106.8R97 V115 V117 L142 P143 V146R97-I99 HydrophobicContact CG-CD1 4.39Å; R97-I99 HydrophobicContact CG-CG1 4.16Å; I99-V115 PolarHBondContact N-O 3.37Å; I99-V115 PolarHBondContact O-N 3.05Å; I99-V117 HydrophobicContact CD1-CG2 4.35Å; I99-L142 HydrophobicContact CD1-CB 3.94Å; I99-P143 HydrophobicContact CD1-CG 4.45Å; I99-V146 HydrophobicContact CB-CG1 4.2Å; I99-V146 HydrophobicContact CD1-CB 4.15Å; I99-V146 HydrophobicContact CD1-CG1 4.46Å; I99-V146 HydrophobicContact CD1-CG2 3.92Å; I99-V146 HydrophobicContact CG2-CB 4.36Å; I99-V146 HydrophobicContact CG2-CG1 3.98Å
100S93.8Very high92.6Very high86 Ų8669.1 Ų69.160%0.60136%0.355SS*.EExtended strand (participates in β ladder)trans-107.4144.7173.353.20000110.5I113S100-I113 WeakPolarHBondContact CA-O 3.27Å
101S92.8Very high92.6Very high10 Ų1068.8 Ų68.87%0.0735%0.354CS..EExtended strand (participates in β ladder)trans-141.7135179.1-157.90000110.9I113 N147S101-I113 PolarHBondContact N-O 3.05Å; S101-I113 PolarHBondContact O-N 3.11Å; S101-N147 WeakPolarHBondContact CB-OD1 3.47Å; S101-N147 PolarHBondContact OG-OD1 3.25Å
102L93.7Very high92.8Very high106 Ų10670 Ų7056%0.55536%0.361SS*.EExtended strand (participates in β ladder)trans-89.3117169.6-174.968.9000108.9M110 N112L102-M110 HydrophobicContact CD1-CB 4.2Å; L102-M110 HydrophobicContact CD1-CE 4.32Å; L102-M110 HydrophobicContact CD2-CE 3.67Å; L102-M110 HydrophobicContact CG-CE 3.64Å; L102-N112 HydrophobicContact CD1-CB 4.25Å
103T92.6Very high93Very high4 Ų468.4 Ų68.43%0.02535%0.353CS..EExtended strand (participates in β ladder)trans-135.2144.1-172.3-67.90000111.3V111 K151 V154T103-V111 PolarHBondContact N-O 3.01Å; T103-V111 PolarHBondContact O-N 3.48Å; T103-K151 HydrophobicContact CG2-CB 4.31Å; T103-K151 HydrophobicContact CG2-CG 3.96Å; T103-V154 HydrophobicContact CG2-CB 3.63Å; T103-V154 HydrophobicContact CG2-CG1 3.71Å; T103-V154 HydrophobicContact CG2-CG2 4.22Å
104G93Very high93.1Very high31 Ų3161.6 Ų61.632%0.3233%0.329SS..EExtended strand (participates in β ladder)trans-81.5133.5172.800000112.2Q109G104-Q109 CarbonylContact C-O 3.6Å; G104-Q109 WeakPolarHBondContact CA-O 3.49Å
105S94Very high93.2Very high5 Ų559.5 Ų59.54%0.03531%0.311CS..  trans-78.5174.7169.362.20000112.1D107 L108 Q109S105-D107 VanDerWaalsContact CB-OD1 3.26Å; S105-D107 WeakPolarHBondContact CB-OD1 3.4Å; S105-D107 PolarHBondContact O-N 2.99Å; S105-D107 PolarHBondContact OG-OD1 2.93Å; S105-L108 PolarHBondContact O-N 3.46Å; S105-Q109 PolarHBondContact N-O 2.94Å; S105-Q109 WeakPolarHBondContact OG-CB 3.42Å; S105-Q109 PolarHBondContact OG-N 2.88Å; S105-Q109 VanDerWaalsContact OG-N 3.1Å; S105-Q109 PolarHBondContact OG-O 3.47Å
106K93.9Very high93.3Very high134 Ų13458.2 Ų58.258%0.58330%0.304SS*.THydrogen-bonded Turntrans-57.4-32.2176.5-175.7172.2177.1178.10113.7L108 A155 F157 N158K106-L108 VanDerWaalsContact C-N 3.26Å; K106-L108 PolarHBondContact O-N 3.49Å; K106-A155 WeakPolarHBondContact CA-O 3.31Å; K106-A155 VanDerWaalsContact CB-O 3.31Å; K106-A155 WeakPolarHBondContact CB-O 3.34Å; K106-F157 WeakPolarHBondContact CB-O 3.4Å; K106-F157 PolarHBondContact N-O 2.94Å; K106-N158 WeakPolarHBondContact CB-OD1 3.4Å
107D92.4Very high93.4Very high56 Ų5653.9 Ų53.930%0.29928%0.276SS..THydrogen-bonded Turntrans-89.619.1176.858.5-33.9000113.3S105 Q109 A159S105-D107 VanDerWaalsContact CB-OD1 3.26Å; S105-D107 WeakPolarHBondContact CB-OD1 3.4Å; S105-D107 PolarHBondContact O-N 2.99Å; S105-D107 PolarHBondContact OG-OD1 2.93Å; D107-Q109 PolarHBondContact O-N 3.24Å; D107-A159 PolarHBondContact OD1-N 3.13Å
108L90.5Very high93.5Very high156 Ų15652.7 Ų52.782%0.81727%0.274SS*.SBendtrans59.725.7178-54.2175.8000113.7S105 K106S105-L108 PolarHBondContact O-N 3.46Å; K106-L108 VanDerWaalsContact C-N 3.26Å; K106-L108 PolarHBondContact O-N 3.49Å
109Q91.9Very high93.5Very high64 Ų6445.7 Ų45.730%0.29924%0.244SC..  trans-89.2136173.3-63.7-60.6-3000110.3G104 S105 D107 V111 A159 Y202G104-Q109 CarbonylContact C-O 3.6Å; G104-Q109 WeakPolarHBondContact CA-O 3.49Å; S105-Q109 PolarHBondContact N-O 2.94Å; S105-Q109 WeakPolarHBondContact OG-CB 3.42Å; S105-Q109 PolarHBondContact OG-N 2.88Å; S105-Q109 VanDerWaalsContact OG-N 3.1Å; S105-Q109 PolarHBondContact OG-O 3.47Å; D107-Q109 PolarHBondContact O-N 3.24Å; Q109-V111 PolarHBondContact O-N 3.37Å; Q109-A159 HydrophobicContact CB-CB 4.14Å; Q109-A159 HydrophobicContact CG-CB 4.36Å; Q109-Y202 HydrophobicContact CG-CD2 3.98Å; Q109-Y202 HydrophobicContact CG-CE2 3.82Å
110M92.3Very high93.5Very high104 Ų10448.7 Ų48.751%0.51225%0.254SS..EExtended strand (participates in β ladder)trans-80.7121.8176.8-62.4-58.5-77.600109.5L102L102-M110 HydrophobicContact CD1-CB 4.2Å; L102-M110 HydrophobicContact CD1-CE 4.32Å; L102-M110 HydrophobicContact CD2-CE 3.67Å; L102-M110 HydrophobicContact CG-CE 3.64Å
111V92.6Very high93.4Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-121.1128.9-178.8-166.80000108.6T103 Q109 I113 L162 L196 S197 F198T103-V111 PolarHBondContact N-O 3.01Å; T103-V111 PolarHBondContact O-N 3.48Å; Q109-V111 PolarHBondContact O-N 3.37Å; V111-I113 HydrophobicContact CB-CD1 4.49Å; V111-I113 HydrophobicContact CB-CG1 4.27Å; V111-I113 HydrophobicContact CG1-CD1 4.14Å; V111-I113 HydrophobicContact CG1-CG1 3.69Å; V111-L162 HydrophobicContact CG1-CD1 4.41Å; V111-L162 HydrophobicContact CG2-CD1 4.05Å; V111-L196 HydrophobicContact CG1-CD2 4.09Å; V111-L196 HydrophobicContact CG1-CG 3.97Å; V111-S197 WeakPolarHBondContact CG1-O 3.43Å; V111-F198 HydrophobicContact CB-CD1 4.35Å; V111-F198 HydrophobicContact CB-CE1 4.28Å; V111-F198 HydrophobicContact CG1-CD1 4.01Å; V111-F198 HydrophobicContact CG1-CE1 3.78Å; V111-F198 HydrophobicContact CG1-CZ 4.28Å; V111-F198 HydrophobicContact CG2-CD1 3.68Å; V111-F198 HydrophobicContact CG2-CE1 3.51Å
112N94Very high93.4Very high68 Ų6846.4 Ų46.436%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-93117.5170.2-178.39.9000108.5L102 L196 S197L102-N112 HydrophobicContact CD1-CB 4.25Å; N112-L196 WeakPolarHBondContact O-CA 3.41Å; N112-S197 WeakPolarHBondContact CB-OG 3.27Å; N112-S197 PolarHBondContact N-O 2.87Å; N112-S197 PolarHBondContact O-N 2.94Å
113I94.2Very high93.1Very high3 Ų342.8 Ų42.82%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-118.6121.4-176.3-56.1178.8000108.5S100 S101 V111 V115 L150 V154 I193 E195 L196S100-I113 WeakPolarHBondContact CA-O 3.27Å; S101-I113 PolarHBondContact N-O 3.05Å; S101-I113 PolarHBondContact O-N 3.11Å; V111-I113 HydrophobicContact CB-CD1 4.49Å; V111-I113 HydrophobicContact CB-CG1 4.27Å; V111-I113 HydrophobicContact CG1-CD1 4.14Å; V111-I113 HydrophobicContact CG1-CG1 3.69Å; I113-V115 HydrophobicContact CG2-CG2 4.08Å; I113-L150 HydrophobicContact CG2-CD2 4.34Å; I113-V154 HydrophobicContact CD1-CB 4.37Å; I113-V154 HydrophobicContact CD1-CG1 4.11Å; I113-V154 HydrophobicContact CD1-CG2 3.31Å; I113-I193 HydrophobicContact CG2-CG2 3.94Å; I113-E195 WeakPolarHBondContact CA-O 3.34Å; I113-L196 HydrophobicContact CD1-CD1 4.36Å; I113-L196 HydrophobicContact CG1-CD1 4.26Å; I113-L196 HydrophobicContact CG1-CG 4.33Å
114G94.6Very high92.9Very high6 Ų646.5 Ų46.56%0.06225%0.245CC..EExtended strand (participates in β ladder)trans-94.3129.8168.900000110.5I193 T194 E195G114-I193 CarbonylContact O-C 3.57Å; G114-I193 WeakPolarHBondContact O-CA 3.07Å; G114-T194 VanDerWaalsContact C-OG1 3.31Å; G114-T194 PolarHBondContact O-N 3.29Å; G114-T194 PolarHBondContact O-OG1 3.38Å; G114-T194 VanDerWaalsContact O-OG1 3.14Å; G114-E195 PolarHBondContact N-O 3.29Å; G114-E195 PolarHBondContact O-N 3.23Å
115V94.9Very high92.7Very high0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-123.5133174.5-1780000109.6K98 I99 I113 V117 L150 V191 A192 I193K98-V115 CarbonylContact C-O 3.57Å; K98-V115 WeakPolarHBondContact CA-O 3.45Å; I99-V115 PolarHBondContact N-O 3.37Å; I99-V115 PolarHBondContact O-N 3.05Å; I113-V115 HydrophobicContact CG2-CG2 4.08Å; V115-V117 HydrophobicContact CG1-CG1 3.94Å; V115-L150 HydrophobicContact CG2-CD1 3.76Å; V115-L150 HydrophobicContact CG2-CD2 3.83Å; V115-L150 HydrophobicContact CG2-CG 4.32Å; V115-V191 HydrophobicContact CG1-CG1 3.77Å; V115-A192 WeakPolarHBondContact CA-O 3.18Å; V115-I193 HydrophobicContact CG2-CG1 4.37Å
116R95.2Very high92.5Very high65 Ų6546 Ų4625%0.24524%0.237CC..EExtended strand (participates in β ladder)trans-97.1123.6166.2-176.9-178.562.572.87108.8R97 K98 D190 A192 T194R97-R116 CarbonylContact O-C 3.59Å; R97-R116 WeakPolarHBondContact O-CA 3.34Å; K98-R116 HydrophobicContact CG-CB 4.28Å; K98-R116 HydrophobicContact CG-CG 4.33Å; R116-D190 IonicContact CZ-OD2 3.77Å; R116-D190 IonicContact NH1-OD2 2.68Å; R116-D190 PolarHBondContact NH1-OD2 3.37Å; R116-D190 IonicContact NH2-OD2 4Å; R116-D190 PolarHBondContact NH2-OD2 3.02Å; R116-A192 PolarHBondContact N-O 3.4Å; R116-A192 PolarHBondContact O-N 3.04Å; R116-T194 HydrophobicContact CB-CG2 3.65Å
117V94.9Very high92.3Very high1 Ų139.7 Ų39.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-112.4133.4172.3-62.90000109.2P96 R97 I99 V115 L142 V146 V191P96-V117 WeakPolarHBondContact CA-O 3.38Å; R97-V117 HydrophobicContact CB-CG2 4.07Å; R97-V117 PolarHBondContact N-O 3.14Å; R97-V117 PolarHBondContact O-N 2.87Å; I99-V117 HydrophobicContact CD1-CG2 4.35Å; V115-V117 HydrophobicContact CG1-CG1 3.94Å; V117-L142 HydrophobicContact CG2-CD1 4.5Å; V117-V146 HydrophobicContact CG1-CG2 4.19Å; V117-V191 HydrophobicContact CG1-CG1 4.27Å; V117-V191 HydrophobicContact CG1-CG2 4.18Å
118L94.6Very high92.1Very high42 Ų4239.8 Ų39.822%0.2221%0.212CC..EExtended strand (participates in β ladder)trans-98.6111.2164.6-79.8171.5000107.3A94 P96 L188 D189 D190A94-L118 HydrophobicContact CB-CD2 4.5Å; P96-L118 HydrophobicContact CB-CD2 3.66Å; P96-L118 HydrophobicContact CG-CD2 4.3Å; L118-L188 CarbonylContact O-C 3.6Å; L118-L188 WeakPolarHBondContact O-CA 3.21Å; L118-D189 HydrophobicContact CB-CB 4.49Å; L118-D189 PolarHBondContact O-N 3.2Å; L118-D190 HydrophobicContact CB-CB 4.11Å; L118-D190 HydrophobicContact CD1-CB 3.89Å; L118-D190 HydrophobicContact CG-CB 4.39Å; L118-D190 PolarHBondContact N-O 3.44Å
119S93.8Very high92.1Very high2 Ų232.4 Ų32.41%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-120.9145.4-176.458.90000111.4A94 K95 L142 I187A94-S119 WeakPolarHBondContact CA-O 3.24Å; K95-S119 PolarHBondContact N-O 2.85Å; K95-S119 PolarHBondContact O-N 3.35Å; K95-S119 VanDerWaalsContact O-N 3.15Å; S119-L142 WeakPolarHBondContact OG-CD1 3.34Å; S119-I187 WeakPolarHBondContact CA-O 3.47Å
120R93.1Very high92Very high80 Ų8032.9 Ų32.930%0.30217%0.173SC..EExtended strand (participates in β ladder)trans-140152.4168.364.1-176.4176.690.6-0.9110.1I187 D189R120-I187 HydrophobicContact CG-CB 4Å; R120-I187 HydrophobicContact CG-CG2 4.44Å; R120-I187 PolarHBondContact N-O 3.1Å; R120-I187 PolarHBondContact O-N 3.1Å; R120-D189 VanDerWaalsContact CD-OD2 3.27Å; R120-D189 WeakPolarHBondContact CD-OD2 3.48Å; R120-D189 IonicContact CZ-OD1 2.68Å; R120-D189 IonicContact NE-OD1 3.64Å; R120-D189 PolarHBondContact NE-OD1 3.39Å; R120-D189 IonicContact NE-OD2 3.76Å; R120-D189 PolarHBondContact NE-OD2 2.85Å; R120-D189 IonicContact NH2-OD1 3.63Å
121P92.9Very high91.8Very high0 Ų033.7 Ų33.70%018%0.176CC..EExtended strand (participates in β ladder)trans-78.4151177.632.9-27.8000110.4D91 I92 A123 L126 M129 Y137D91-P121 WeakPolarHBondContact O-CG 3.4Å; I92-P121 HydrophobicContact CG2-CG 4.3Å; P121-A123 PolarHBondContact O-N 3.44Å; P121-L126 HydrophobicContact CB-CD2 3.79Å; P121-L126 HydrophobicContact CG-CD2 4.03Å; P121-M129 HydrophobicContact CB-CE 3.49Å; P121-M129 VanDerWaalsContact CB-CE 3.49Å; P121-M129 HydrophobicContact CB-SD 3.51Å; P121-M129 VanDerWaalsContact CB-SD 3.51Å; P121-M129 HydrophobicContact CG-CE 4.43Å; P121-Y137 HydrophobicContact CB-CE1 4.25Å; P121-Y137 HydrophobicContact CB-CE2 4.41Å; P121-Y137 VanDerWaalsContact CD-OH 3.25Å; P121-Y137 WeakPolarHBondContact CD-OH 3.39Å; P121-Y137 HydrophobicContact CG-CE1 4.29Å
122M91.3Very high91.5Very high47 Ų4739.6 Ų39.623%0.23220%0.203CC..  trans-75.3117175.9-171.2178.9-5200110.5S124 S125 L126 N185 I187M122-S124 VanDerWaalsContact C-N 3.27Å; M122-S124 WeakPolarHBondContact CG-OG 3.27Å; M122-S124 PolarHBondContact O-N 3.18Å; M122-S124 PolarHBondContact SD-OG 2.91Å; M122-S125 PolarHBondContact O-N 3.41Å; M122-S125 VanDerWaalsContact O-N 3.16Å; M122-L126 PolarHBondContact O-N 3.42Å; M122-N185 HydrophobicContact CB-CB 4.36Å; M122-N185 WeakPolarHBondContact CB-O 3.16Å; M122-N185 PolarHBondContact N-O 3.23Å; M122-I187 HydrophobicContact CB-CD1 4.05Å; M122-I187 HydrophobicContact CB-CG1 4.29Å; M122-I187 HydrophobicContact CE-CD1 4.42Å; M122-I187 HydrophobicContact CE-CG1 4.19Å; M122-I187 HydrophobicContact CG-CD1 4.07Å
123A88.8Confident91.2Very high30 Ų3036.8 Ų36.825%0.24819%0.188CC..G310 helixtrans-59.5-33.6-174.600000113.8I72 I92 P121 S125I72-A123 WeakPolarHBondContact CD1-O 3.45Å; I92-A123 HydrophobicContact CG2-CB 4.49Å; P121-A123 PolarHBondContact O-N 3.44Å; A123-S125 VanDerWaalsContact C-N 3.34Å
124S88.8Confident90.9Very high83 Ų8337.5 Ų37.558%0.5820%0.196SC*.G310 helixtrans-72.9-21.8-179.452.60000114.3I72 M122I72-S124 VanDerWaalsContact CD1-O 3.27Å; I72-S124 WeakPolarHBondContact CD1-O 3.47Å; M122-S124 VanDerWaalsContact C-N 3.27Å; M122-S124 WeakPolarHBondContact CG-OG 3.27Å; M122-S124 PolarHBondContact O-N 3.18Å; M122-S124 PolarHBondContact SD-OG 2.91Å
125S88.9Confident90.5Very high25 Ų2543.1 Ų43.118%0.17522%0.219CC..G310 helixtrans-119.117.6-172.8-52.70000112.5M122 A123 P127 V128 M129 N185M122-S125 PolarHBondContact O-N 3.41Å; M122-S125 VanDerWaalsContact O-N 3.16Å; A123-S125 VanDerWaalsContact C-N 3.34Å; S125-P127 VanDerWaalsContact C-CD 3.45Å; S125-P127 VanDerWaalsContact C-N 3.3Å; S125-V128 PolarHBondContact O-N 3.35Å; S125-M129 WeakPolarHBondContact O-CB 3.41Å; S125-M129 PolarHBondContact O-N 3.19Å; S125-N185 VanDerWaalsContact CB-OD1 3.27Å; S125-N185 WeakPolarHBondContact CB-OD1 3.48Å; S125-N185 PolarHBondContact OG-OD1 2.87Å
126L89Confident90.2Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-54.6-38.1179.7-69.9173.9000113.5R57 I59 I72 Y90 I92 P121 M122 M129 Y130R57-L126 HydrophobicContact CB-CD1 3.41Å; R57-L126 VanDerWaalsContact CB-CD1 3.41Å; R57-L126 HydrophobicContact CG-CD1 4.05Å; I59-L126 HydrophobicContact CG2-CB 3.76Å; I72-L126 HydrophobicContact CG2-CD1 4.48Å; Y90-L126 HydrophobicContact CD1-CD2 4.38Å; Y90-L126 HydrophobicContact CG-CD2 4.27Å; I92-L126 HydrophobicContact CG2-CD1 4.24Å; P121-L126 HydrophobicContact CB-CD2 3.79Å; P121-L126 HydrophobicContact CG-CD2 4.03Å; M122-L126 PolarHBondContact O-N 3.42Å; L126-M129 HydrophobicContact CD2-CE 3.78Å; L126-M129 PolarHBondContact O-N 3.21Å; L126-Y130 PolarHBondContact O-N 3.48Å
127P89.3Confident89.8Confident2 Ų244.4 Ų44.41%0.01323%0.23CC..Hα-helixtrans-64-48179-2739.1000113.3I59 M67 M69 I72 S125 M129 Y130 Q131I59-P127 HydrophobicContact CG2-CG 4.05Å; M67-P127 HydrophobicContact CE-CB 3.82Å; M67-P127 HydrophobicContact SD-CB 4.04Å; M69-P127 HydrophobicContact CE-CB 3.82Å; M69-P127 WeakPolarHBondContact O-CG 3.36Å; M69-P127 HydrophobicContact SD-CB 3.74Å; I72-P127 HydrophobicContact CG1-CG 4.06Å; S125-P127 VanDerWaalsContact C-CD 3.45Å; S125-P127 VanDerWaalsContact C-N 3.3Å; P127-M129 VanDerWaalsContact C-N 3.32Å; P127-M129 PolarHBondContact O-N 3.2Å; P127-Y130 PolarHBondContact O-N 3.48Å; P127-Q131 PolarHBondContact O-N 2.88Å; P127-Q131 VanDerWaalsContact O-N 3.13Å
128V89.4Confident89.4Confident58 Ų5846.3 Ų46.335%0.35224%0.24SC..Hα-helixtrans-60.8-44.6176.2179.80000110.7M69 S125 Y130 Q131 Q132M69-V128 HydrophobicContact SD-CG2 4.39Å; S125-V128 PolarHBondContact O-N 3.35Å; V128-Y130 PolarHBondContact O-N 3.08Å; V128-Q131 PolarHBondContact O-N 3Å; V128-Q132 WeakPolarHBondContact O-CG 3.37Å; V128-Q132 PolarHBondContact O-N 2.91Å; V128-Q132 VanDerWaalsContact O-N 3.12Å
129M89.9Confident89.1Confident0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-59.8-45.6179-164.7-170.770.900111.5Y90 P121 S125 L126 P127 Q131 Q132 L133 Y137Y90-M129 HydrophobicContact CD1-CE 4.01Å; Y90-M129 HydrophobicContact CE1-CE 3.48Å; Y90-M129 VanDerWaalsContact CE1-CE 3.48Å; P121-M129 HydrophobicContact CB-CE 3.49Å; P121-M129 VanDerWaalsContact CB-CE 3.49Å; P121-M129 HydrophobicContact CB-SD 3.51Å; P121-M129 VanDerWaalsContact CB-SD 3.51Å; P121-M129 HydrophobicContact CG-CE 4.43Å; S125-M129 WeakPolarHBondContact O-CB 3.41Å; S125-M129 PolarHBondContact O-N 3.19Å; L126-M129 HydrophobicContact CD2-CE 3.78Å; L126-M129 PolarHBondContact O-N 3.21Å; P127-M129 VanDerWaalsContact C-N 3.32Å; P127-M129 PolarHBondContact O-N 3.2Å; M129-Q131 PolarHBondContact O-N 2.94Å; M129-Q132 PolarHBondContact O-N 3.35Å; M129-L133 HydrophobicContact CB-CD1 4.47Å; M129-L133 HydrophobicContact CG-CD1 3.49Å; M129-L133 VanDerWaalsContact CG-CD1 3.49Å; M129-L133 WeakPolarHBondContact O-CA 3.37Å; M129-L133 VanDerWaalsContact O-CB 3.25Å; M129-L133 WeakPolarHBondContact O-CB 3.33Å; M129-L133 PolarHBondContact O-N 2.89Å; M129-Y137 HydrophobicContact CE-CD1 3.77Å; M129-Y137 HydrophobicContact CE-CE1 4.11Å; M129-Y137 HydrophobicContact CE-CG 4.15Å; M129-Y137 HydrophobicContact SD-CD1 4.39Å; M129-Y137 HydrophobicContact SD-CD2 4.42Å; M129-Y137 HydrophobicContact SD-CG 4.2Å
130Y89.4Confident88.7Confident74 Ų7457.2 Ų57.229%0.2928%0.283SS..Hα-helixtrans-65.3-37.5178.5177.1-103.6000112.9I59 M67 I88 Y90 L126 P127 V128 G134I59-Y130 HydrophobicContact CD1-CD1 4.38Å; I59-Y130 HydrophobicContact CD1-CD2 4.46Å; I59-Y130 HydrophobicContact CD1-CG 3.93Å; M67-Y130 HydrophobicContact CE-CD1 3.51Å; M67-Y130 HydrophobicContact CE-CE1 4.45Å; M67-Y130 HydrophobicContact CE-CG 3.98Å; M67-Y130 HydrophobicContact SD-CD1 3.72Å; I88-Y130 HydrophobicContact CD1-CD1 4.12Å; I88-Y130 HydrophobicContact CD1-CE1 3.43Å; I88-Y130 VanDerWaalsContact CD1-CE1 3.43Å; I88-Y130 HydrophobicContact CD1-CE2 3.92Å; I88-Y130 WeakPolarHBondContact CD1-OH 3.36Å; I88-Y130 HydrophobicContact CG2-CD2 4.3Å; I88-Y130 HydrophobicContact CG2-CE2 4.02Å; Y90-Y130 AromaticContact CE2-CD2 3.88Å; Y90-Y130 HydrophobicContact CE2-CD2 3.88Å; Y90-Y130 HydrophobicContact CE2-CG 4.33Å; Y90-Y130 AromaticContact CZ-CD2 3.98Å; Y90-Y130 WeakPolarHBondContact OH-CB 3.4Å; Y90-Y130 VanDerWaalsContact OH-CD2 3.23Å; Y90-Y130 WeakPolarHBondContact OH-CD2 3.43Å; L126-Y130 PolarHBondContact O-N 3.48Å; P127-Y130 PolarHBondContact O-N 3.48Å; V128-Y130 PolarHBondContact O-N 3.08Å; Y130-G134 WeakPolarHBondContact O-CA 3.49Å; Y130-G134 PolarHBondContact O-N 2.84Å
131Q87.6Confident88.6Confident122 Ų12254.2 Ų54.257%0.5727%0.273SS*.Hα-helixtrans-64.3-41.6176.7-70.7-169.6-18.700112.5M67 M69 P127 V128 M129M67-Q131 HydrophobicContact SD-CG 3.55Å; M67-Q131 VanDerWaalsContact SD-CG 3.55Å; M69-Q131 HydrophobicContact CE-CG 4.17Å; P127-Q131 PolarHBondContact O-N 2.88Å; P127-Q131 VanDerWaalsContact O-N 3.13Å; V128-Q131 PolarHBondContact O-N 3Å; M129-Q131 PolarHBondContact O-N 2.94Å
132Q87.9Confident88.5Confident124 Ų12454.4 Ų54.458%0.57927%0.274SS*.Hα-helixtrans-81.7-41.4-176.1-67.5178-12.900112.6V128 M129V128-Q132 WeakPolarHBondContact O-CG 3.37Å; V128-Q132 PolarHBondContact O-N 2.91Å; V128-Q132 VanDerWaalsContact O-N 3.12Å; M129-Q132 PolarHBondContact O-N 3.35Å
133L86.9Confident88.6Confident8 Ų853.8 Ų53.84%0.04227%0.274CS..Hα-helixtrans-114-21.8-165.4-61.6150.8000112.7M129 R140 V141 F184M129-L133 HydrophobicContact CB-CD1 4.47Å; M129-L133 HydrophobicContact CG-CD1 3.49Å; M129-L133 VanDerWaalsContact CG-CD1 3.49Å; M129-L133 WeakPolarHBondContact O-CA 3.37Å; M129-L133 VanDerWaalsContact O-CB 3.25Å; M129-L133 WeakPolarHBondContact O-CB 3.33Å; M129-L133 PolarHBondContact O-N 2.89Å; L133-R140 PolarHBondContact O-NH1 3.04Å; L133-V141 HydrophobicContact CD2-CB 4.01Å; L133-V141 HydrophobicContact CD2-CG1 4.45Å; L133-V141 HydrophobicContact CD2-CG2 3.1Å; L133-F184 HydrophobicContact CD1-CB 4.26Å; L133-F184 HydrophobicContact CD2-CD1 4.1Å
134G87Confident88.8Confident18 Ų1855.9 Ų55.919%0.18629%0.287CS..  trans71.2-170.8-170.800000112.9Y90 Y130 D136Y90-G134 PolarHBondContact OH-O 3.49Å; Y130-G134 WeakPolarHBondContact O-CA 3.49Å; Y130-G134 PolarHBondContact O-N 2.84Å; G134-D136 VanDerWaalsContact C-N 3.32Å; G134-D136 PolarHBondContact O-N 2.89Å
135K86.3Confident89Confident125 Ų12552.3 Ų52.354%0.54326%0.261SS..SBendtrans-67.1-32.3-178.2-165.9178.5179-176.50112.9Y90 Y137Y90-K135 WeakPolarHBondContact OH-CA 3.38Å; K135-Y137 VanDerWaalsContact C-N 3.27Å; K135-Y137 WeakPolarHBondContact O-CD1 3.47Å; K135-Y137 PolarHBondContact O-N 3.26Å
136D88.5Confident89.3Confident80 Ų8051.3 Ų51.343%0.42825%0.254SS..  trans-93.746.1-175.2-44.7-47.4000111.6G134 D138 E139 R140G134-D136 VanDerWaalsContact C-N 3.32Å; G134-D136 PolarHBondContact O-N 2.89Å; D136-D138 PolarHBondContact O-N 3.38Å; D136-E139 PolarHBondContact O-N 3.32Å; D136-R140 WeakPolarHBondContact O-CB 3.38Å; D136-R140 PolarHBondContact O-N 2.98Å
137Y86.8Confident89.6Confident12 Ų1253.5 Ų53.55%0.04727%0.266CS..Hα-helixtrans-61.8-32.9-177.969.4-88.2000112Y90 P121 M129 K135 V141 I186Y90-Y137 HydrophobicContact CD1-CE1 4.38Å; Y90-Y137 HydrophobicContact CE1-CD1 4.01Å; Y90-Y137 HydrophobicContact CE1-CE1 4.13Å; P121-Y137 HydrophobicContact CB-CE1 4.25Å; P121-Y137 HydrophobicContact CB-CE2 4.41Å; P121-Y137 VanDerWaalsContact CD-OH 3.25Å; P121-Y137 WeakPolarHBondContact CD-OH 3.39Å; P121-Y137 HydrophobicContact CG-CE1 4.29Å; M129-Y137 HydrophobicContact CE-CD1 3.77Å; M129-Y137 HydrophobicContact CE-CE1 4.11Å; M129-Y137 HydrophobicContact CE-CG 4.15Å; M129-Y137 HydrophobicContact SD-CD1 4.39Å; M129-Y137 HydrophobicContact SD-CD2 4.42Å; M129-Y137 HydrophobicContact SD-CG 4.2Å; K135-Y137 VanDerWaalsContact C-N 3.27Å; K135-Y137 WeakPolarHBondContact O-CD1 3.47Å; K135-Y137 PolarHBondContact O-N 3.26Å; Y137-V141 PolarHBondContact O-N 2.99Å; Y137-V141 VanDerWaalsContact O-N 3.11Å; Y137-I186 HydrophobicContact CD2-CD1 3.76Å; Y137-I186 HydrophobicContact CD2-CG1 3.95Å; Y137-I186 HydrophobicContact CE2-CD1 4.43Å; Y137-I186 HydrophobicContact CE2-CG1 4.32Å
138D86.6Confident89.8Confident40 Ų4057.4 Ų57.421%0.21428%0.284CS..Hα-helixtrans-73.3-37.2-17771.9-50.1000112.2R97 D136 L142 P143R97-D138 IonicContact NH1-OD2 3.42Å; R97-D138 PolarHBondContact NH1-OD2 3.4Å; D136-D138 PolarHBondContact O-N 3.38Å; D138-L142 HydrophobicContact CB-CD1 3.72Å; D138-L142 HydrophobicContact CB-CG 4.49Å; D138-L142 VanDerWaalsContact O-CB 3.3Å; D138-L142 WeakPolarHBondContact O-CB 3.44Å; D138-P143 WeakPolarHBondContact O-CD 3.36Å
139E88.1Confident90.1Very high121 Ų12154.8 Ų54.857%0.56527%0.268SS*.Hα-helixtrans-73.6-38.5176-70.7-172171.900112.7R97 D136 P143R97-E139 VanDerWaalsContact NH1-CG 3.26Å; D136-E139 PolarHBondContact O-N 3.32Å; E139-P143 WeakPolarHBondContact O-CD 3.4Å; E139-P143 WeakPolarHBondContact O-CG 3.38Å
140R86.2Confident90.3Very high153 Ų15354.9 Ų54.958%0.57727%0.268SS*.Hα-helixtrans-79-41.1-173.2-169.5168.2-67.2144.72.5112.9L133 D136L133-R140 PolarHBondContact O-NH1 3.04Å; D136-R140 WeakPolarHBondContact O-CB 3.38Å; D136-R140 PolarHBondContact O-N 2.98Å
141V90.6Very high90.5Very high16 Ų1656.9 Ų56.910%0.09728%0.278CS..THydrogen-bonded Turntrans-110-36.6-165.8170.10000114.3L133 Y137 S144 I145 F184 I186L133-V141 HydrophobicContact CD2-CB 4.01Å; L133-V141 HydrophobicContact CD2-CG1 4.45Å; L133-V141 HydrophobicContact CD2-CG2 3.1Å; Y137-V141 PolarHBondContact O-N 2.99Å; Y137-V141 VanDerWaalsContact O-N 3.11Å; V141-S144 WeakPolarHBondContact O-CB 3.38Å; V141-S144 PolarHBondContact O-N 3.47Å; V141-S144 VanDerWaalsContact O-N 3.09Å; V141-I145 HydrophobicContact CG1-CD1 3.33Å; V141-I145 HydrophobicContact CG1-CG1 3.82Å; V141-I145 PolarHBondContact O-N 2.84Å; V141-F184 HydrophobicContact CG1-CB 4.4Å; V141-F184 HydrophobicContact CG1-CD1 4.06Å; V141-F184 HydrophobicContact CG1-CD2 4.13Å; V141-F184 HydrophobicContact CG1-CE1 4.34Å; V141-F184 HydrophobicContact CG1-CE2 4.4Å; V141-F184 HydrophobicContact CG1-CG 3.92Å; V141-F184 HydrophobicContact CG1-CZ 4.49Å; V141-I186 HydrophobicContact CG1-CD1 4.4Å
142L91.4Very high90.9Very high4 Ų453.4 Ų53.42%0.02127%0.267CS..Hα-helixtrans-58.8-44.6-178.9-63.5172.9000113I99 V117 S119 D138 S144 V146 I186 L188I99-L142 HydrophobicContact CD1-CB 3.94Å; V117-L142 HydrophobicContact CG2-CD1 4.5Å; S119-L142 WeakPolarHBondContact OG-CD1 3.34Å; D138-L142 HydrophobicContact CB-CD1 3.72Å; D138-L142 HydrophobicContact CB-CG 4.49Å; D138-L142 VanDerWaalsContact O-CB 3.3Å; D138-L142 WeakPolarHBondContact O-CB 3.44Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 2.98Å; L142-V146 WeakPolarHBondContact O-CB 3.21Å; L142-V146 WeakPolarHBondContact O-CG2 3.31Å; L142-V146 PolarHBondContact O-N 3.32Å; L142-I186 HydrophobicContact CD2-CD1 4.47Å; L142-I186 HydrophobicContact CD2-CG2 4.39Å; L142-L188 HydrophobicContact CD2-CD2 4.32Å
143P93Very high91.2Very high34 Ų3447.5 Ų47.522%0.22124%0.24CC..Hα-helixtrans-61.6-36.6177-23.535.7000112.6I99 D138 E139 N147I99-P143 HydrophobicContact CD1-CG 4.45Å; D138-P143 WeakPolarHBondContact O-CD 3.36Å; E139-P143 WeakPolarHBondContact O-CD 3.4Å; E139-P143 WeakPolarHBondContact O-CG 3.38Å; P143-N147 WeakPolarHBondContact O-CB 3.22Å; P143-N147 PolarHBondContact O-N 3.06Å; P143-N147 PolarHBondContact O-ND2 3.33Å
144S93Very high91.5Very high74 Ų7447.1 Ų47.152%0.51724%0.238SC..Hα-helixtrans-66.4-54.3-179.3-1680000111.3V141 L142 V146 N147 E148V141-S144 WeakPolarHBondContact O-CB 3.38Å; V141-S144 PolarHBondContact O-N 3.47Å; V141-S144 VanDerWaalsContact O-N 3.09Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 2.98Å; S144-V146 PolarHBondContact O-N 3.3Å; S144-N147 PolarHBondContact O-N 3.29Å; S144-E148 WeakPolarHBondContact O-CB 3.26Å; S144-E148 PolarHBondContact O-N 2.9Å
145I94.2Very high91.8Very high9 Ų948.7 Ų48.75%0.04625%0.249CC..Hα-helixtrans-63.4-43.1-179.7-60.4174.7000110.7V141 N147 E148 V149 L177 R180 F184V141-I145 HydrophobicContact CG1-CD1 3.33Å; V141-I145 HydrophobicContact CG1-CG1 3.82Å; V141-I145 PolarHBondContact O-N 2.84Å; I145-N147 PolarHBondContact O-N 3.14Å; I145-E148 PolarHBondContact O-N 3.31Å; I145-V149 HydrophobicContact CG2-CG2 4.22Å; I145-V149 WeakPolarHBondContact O-CB 3.39Å; I145-V149 WeakPolarHBondContact O-CG2 3.29Å; I145-V149 PolarHBondContact O-N 2.84Å; I145-L177 HydrophobicContact CG2-CD2 3.93Å; I145-R180 HydrophobicContact CG2-CB 3.62Å; I145-F184 HydrophobicContact CD1-CD2 3.31Å; I145-F184 HydrophobicContact CD1-CE2 3.48Å; I145-F184 VanDerWaalsContact CD1-CE2 3.48Å; I145-F184 HydrophobicContact CD1-CG 4.18Å; I145-F184 HydrophobicContact CD1-CZ 4.46Å; I145-F184 HydrophobicContact CG1-CD2 4.29Å; I145-F184 HydrophobicContact CG1-CE2 3.96Å
146V95.1Very high92.2Very high3 Ų348.2 Ų48.22%0.01825%0.247CC..Hα-helixtrans-62.6-45179.4172.40000110.9I99 V117 L142 S144 L150 L177I99-V146 HydrophobicContact CB-CG1 4.2Å; I99-V146 HydrophobicContact CD1-CB 4.15Å; I99-V146 HydrophobicContact CD1-CG1 4.46Å; I99-V146 HydrophobicContact CD1-CG2 3.92Å; I99-V146 HydrophobicContact CG2-CB 4.36Å; I99-V146 HydrophobicContact CG2-CG1 3.98Å; V117-V146 HydrophobicContact CG1-CG2 4.19Å; L142-V146 WeakPolarHBondContact O-CB 3.21Å; L142-V146 WeakPolarHBondContact O-CG2 3.31Å; L142-V146 PolarHBondContact O-N 3.32Å; S144-V146 PolarHBondContact O-N 3.3Å; V146-L150 HydrophobicContact CG1-CD1 3.63Å; V146-L150 HydrophobicContact CG1-CG 4.16Å; V146-L150 VanDerWaalsContact O-CB 3.24Å; V146-L150 WeakPolarHBondContact O-CB 3.39Å; V146-L150 WeakPolarHBondContact O-CG 3.32Å; V146-L150 PolarHBondContact O-N 3.47Å; V146-L177 HydrophobicContact CB-CD2 4.45Å; V146-L177 HydrophobicContact CG2-CD1 4.42Å; V146-L177 HydrophobicContact CG2-CD2 3.93Å
147N94.5Very high92.5Very high47 Ų4745.4 Ų45.425%0.25123%0.231SC..Hα-helixtrans-64.4-41.5176.9-74-30.1000112.6S101 P143 S144 I145 K151S101-N147 WeakPolarHBondContact CB-OD1 3.47Å; S101-N147 PolarHBondContact OG-OD1 3.25Å; P143-N147 WeakPolarHBondContact O-CB 3.22Å; P143-N147 PolarHBondContact O-N 3.06Å; P143-N147 PolarHBondContact O-ND2 3.33Å; S144-N147 PolarHBondContact O-N 3.29Å; I145-N147 PolarHBondContact O-N 3.14Å; N147-K151 WeakPolarHBondContact O-CB 3.49Å; N147-K151 WeakPolarHBondContact O-CG 3.04Å; N147-K151 PolarHBondContact O-N 2.91Å
148E94.1Very high92.8Very high84 Ų8447.3 Ų47.339%0.39324%0.242SC..Hα-helixtrans-62-52.5177.2-175.6-172.3159.900111.3S144 I145 L150 K151 S152 R180S144-E148 WeakPolarHBondContact O-CB 3.26Å; S144-E148 PolarHBondContact O-N 2.9Å; I145-E148 PolarHBondContact O-N 3.31Å; E148-L150 PolarHBondContact O-N 3.42Å; E148-K151 PolarHBondContact O-N 2.94Å; E148-S152 PolarHBondContact O-N 3.48Å; E148-R180 IonicContact OE1-CZ 3.19Å; E148-R180 IonicContact OE1-NH1 2.84Å; E148-R180 PolarHBondContact OE1-NH1 3.36Å; E148-R180 IonicContact OE1-NH2 2.8Å; E148-R180 PolarHBondContact OE1-NH2 2.91Å; E148-R180 IonicContact OE2-NH1 3.63Å
149V95.2Very high93Very high3 Ų345.4 Ų45.42%0.01823%0.232CC..Hα-helixtrans-65.4-43.3-177.9173.60000110.7I145 K151 S152 V153 E176 L177 R180I145-V149 HydrophobicContact CG2-CG2 4.22Å; I145-V149 WeakPolarHBondContact O-CB 3.39Å; I145-V149 WeakPolarHBondContact O-CG2 3.29Å; I145-V149 PolarHBondContact O-N 2.84Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 3.34Å; V149-S152 PolarHBondContact O-N 2.92Å; V149-S152 VanDerWaalsContact O-N 3.15Å; V149-S152 PolarHBondContact O-OG 3.08Å; V149-V153 HydrophobicContact CG1-CG2 3.99Å; V149-V153 WeakPolarHBondContact O-CG2 3.18Å; V149-V153 PolarHBondContact O-N 2.77Å; V149-E176 HydrophobicContact CG1-CB 3.51Å; V149-E176 HydrophobicContact CG2-CB 4.41Å; V149-L177 HydrophobicContact CB-CD2 3.63Å; V149-L177 HydrophobicContact CB-CG 4.08Å; V149-L177 HydrophobicContact CG1-CD2 3.99Å; V149-L177 HydrophobicContact CG1-CG 3.85Å; V149-L177 HydrophobicContact CG2-CD2 3.76Å; V149-L177 HydrophobicContact CG2-CG 4.37Å; V149-R180 HydrophobicContact CG2-CB 4.48Å; V149-R180 HydrophobicContact CG2-CG 4.03Å
150L94.6Very high93Very high1 Ų142.4 Ų42.41%0.00523%0.225CC..Hα-helixtrans-58.9-45.3176.4-73.6176.3000111.8I113 V115 V146 E148 S152 V153 V154 V173I113-L150 HydrophobicContact CG2-CD2 4.34Å; V115-L150 HydrophobicContact CG2-CD1 3.76Å; V115-L150 HydrophobicContact CG2-CD2 3.83Å; V115-L150 HydrophobicContact CG2-CG 4.32Å; V146-L150 HydrophobicContact CG1-CD1 3.63Å; V146-L150 HydrophobicContact CG1-CG 4.16Å; V146-L150 VanDerWaalsContact O-CB 3.24Å; V146-L150 WeakPolarHBondContact O-CB 3.39Å; V146-L150 WeakPolarHBondContact O-CG 3.32Å; V146-L150 PolarHBondContact O-N 3.47Å; E148-L150 PolarHBondContact O-N 3.42Å; L150-S152 VanDerWaalsContact C-N 3.34Å; L150-S152 PolarHBondContact O-N 3.46Å; L150-V153 PolarHBondContact O-N 3.39Å; L150-V154 WeakPolarHBondContact O-CB 3.34Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.13Å; L150-V173 HydrophobicContact CD2-CG1 4.08Å; L150-V173 HydrophobicContact CD2-CG2 4.16Å
151K93.8Very high93.3Very high116 Ų11637.9 Ų37.950%0.50421%0.21SC..Hα-helixtrans-58.1-45.2174.5-73.2173.4-175.3-178.60112.3T103 N147 E148 V149 V153 A155T103-K151 HydrophobicContact CG2-CB 4.31Å; T103-K151 HydrophobicContact CG2-CG 3.96Å; N147-K151 WeakPolarHBondContact O-CB 3.49Å; N147-K151 WeakPolarHBondContact O-CG 3.04Å; N147-K151 PolarHBondContact O-N 2.91Å; E148-K151 PolarHBondContact O-N 2.94Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 3.34Å; K151-V153 PolarHBondContact O-N 3.29Å; K151-A155 WeakPolarHBondContact O-CB 3.48Å; K151-A155 PolarHBondContact O-N 2.93Å
152S94.6Very high93.3Very high49 Ų4937.2 Ų37.234%0.34321%0.206SC..Hα-helixtrans-67.4-36.2-178.978.10000113.7E148 V149 L150 K156E148-S152 PolarHBondContact O-N 3.48Å; V149-S152 PolarHBondContact O-N 2.92Å; V149-S152 VanDerWaalsContact O-N 3.15Å; V149-S152 PolarHBondContact O-OG 3.08Å; L150-S152 VanDerWaalsContact C-N 3.34Å; L150-S152 PolarHBondContact O-N 3.46Å; S152-K156 WeakPolarHBondContact O-CE 3.37Å; S152-K156 WeakPolarHBondContact O-CG 3.5Å
153V94.3Very high93.2Very high0 Ų041.4 Ų41.40%023%0.227CC..Hα-helixtrans-82.5-47-176.3173.30000110.7V149 L150 K151 A155 K156 F157 V169 L172 V173 E176V149-V153 HydrophobicContact CG1-CG2 3.99Å; V149-V153 WeakPolarHBondContact O-CG2 3.18Å; V149-V153 PolarHBondContact O-N 2.77Å; L150-V153 PolarHBondContact O-N 3.39Å; K151-V153 PolarHBondContact O-N 3.29Å; V153-A155 VanDerWaalsContact C-N 3.28Å; V153-A155 PolarHBondContact O-N 3.37Å; V153-K156 WeakPolarHBondContact O-CB 3.36Å; V153-K156 PolarHBondContact O-N 2.88Å; V153-F157 HydrophobicContact CG1-CD2 4.32Å; V153-F157 HydrophobicContact CG1-CE2 4.08Å; V153-F157 WeakPolarHBondContact O-CD2 3.3Å; V153-V169 HydrophobicContact CG1-CG1 4.23Å; V153-L172 HydrophobicContact CB-CD2 4.09Å; V153-L172 HydrophobicContact CG1-CD2 3.66Å; V153-L172 HydrophobicContact CG2-CD2 3.34Å; V153-V173 HydrophobicContact CB-CG2 4Å; V153-V173 HydrophobicContact CG1-CG2 3.65Å; V153-V173 HydrophobicContact CG2-CG2 4.21Å; V153-E176 HydrophobicContact CG2-CG 4.24Å
154V93.5Very high93.1Very high1 Ų145 Ų451%0.00625%0.248CC..Hα-helixtrans-65.4-34.6-176.3175.40000111T103 I113 L150 K156 F157 L162T103-V154 HydrophobicContact CG2-CB 3.63Å; T103-V154 HydrophobicContact CG2-CG1 3.71Å; T103-V154 HydrophobicContact CG2-CG2 4.22Å; I113-V154 HydrophobicContact CD1-CB 4.37Å; I113-V154 HydrophobicContact CD1-CG1 4.11Å; I113-V154 HydrophobicContact CD1-CG2 3.31Å; L150-V154 WeakPolarHBondContact O-CB 3.34Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.13Å; V154-K156 PolarHBondContact O-N 3.17Å; V154-K156 VanDerWaalsContact O-N 3.13Å; V154-F157 PolarHBondContact O-N 3.37Å; V154-F157 VanDerWaalsContact O-N 3.1Å; V154-L162 HydrophobicContact CG1-CD1 3.87Å
155A94.1Very high93.1Very high51 Ų5145 Ų4542%0.42124%0.241SC..THydrogen-bonded Turntrans-62.3-17.4174.100000114K106 K151 V153K106-A155 WeakPolarHBondContact CA-O 3.31Å; K106-A155 VanDerWaalsContact CB-O 3.31Å; K106-A155 WeakPolarHBondContact CB-O 3.34Å; K151-A155 WeakPolarHBondContact O-CB 3.48Å; K151-A155 PolarHBondContact O-N 2.93Å; V153-A155 VanDerWaalsContact C-N 3.28Å; V153-A155 PolarHBondContact O-N 3.37Å
156K94.4Very high93Very high115 Ų11549.5 Ų49.550%0.526%0.257SS..THydrogen-bonded Turntrans-83.8-20.8177-61.9171.4-175.5175.80112.8S152 V153 V154S152-K156 WeakPolarHBondContact O-CE 3.37Å; S152-K156 WeakPolarHBondContact O-CG 3.5Å; V153-K156 WeakPolarHBondContact O-CB 3.36Å; V153-K156 PolarHBondContact O-N 2.88Å; V154-K156 PolarHBondContact O-N 3.17Å; V154-K156 VanDerWaalsContact O-N 3.13Å
157F94.8Very high92.9Very high21 Ų2153.3 Ų53.39%0.09229%0.288CS..SBendtrans-112.1147.7-174.6-67-84.1000111.9K106 V153 V154 Q161 L162 V169 L172K106-F157 WeakPolarHBondContact CB-O 3.4Å; K106-F157 PolarHBondContact N-O 2.94Å; V153-F157 HydrophobicContact CG1-CD2 4.32Å; V153-F157 HydrophobicContact CG1-CE2 4.08Å; V153-F157 WeakPolarHBondContact O-CD2 3.3Å; V154-F157 PolarHBondContact O-N 3.37Å; V154-F157 VanDerWaalsContact O-N 3.1Å; F157-Q161 HydrophobicContact CB-CB 4.42Å; F157-Q161 HydrophobicContact CD1-CB 4.3Å; F157-L162 HydrophobicContact CB-CD2 3.79Å; F157-L162 HydrophobicContact CB-CG 4.27Å; F157-L162 HydrophobicContact CG-CD2 4.42Å; F157-V169 HydrophobicContact CD1-CG2 4.14Å; F157-V169 HydrophobicContact CD2-CG2 3.97Å; F157-V169 HydrophobicContact CE1-CG2 4.15Å; F157-V169 HydrophobicContact CE2-CG2 4.01Å; F157-V169 HydrophobicContact CG-CG2 4.05Å; F157-V169 HydrophobicContact CZ-CG2 4.1Å; F157-L172 HydrophobicContact CE2-CD1 4.3Å; F157-L172 HydrophobicContact CZ-CD1 4.32Å
158N93.4Very high92.8Very high52 Ų5256.4 Ų56.428%0.27830%0.301SS..  trans-75.3153.8169.7-65.1-21.6000110.4K106 S160 Q161 L162K106-N158 WeakPolarHBondContact CB-OD1 3.4Å; N158-S160 VanDerWaalsContact C-N 3.27Å; N158-S160 PolarHBondContact O-N 3.1Å; N158-Q161 HydrophobicContact CB-CG 4.29Å; N158-Q161 VanDerWaalsContact N-OE1 3.15Å; N158-Q161 WeakPolarHBondContact O-CA 3.18Å; N158-Q161 WeakPolarHBondContact O-CB 3.33Å; N158-Q161 PolarHBondContact O-N 2.94Å; N158-L162 PolarHBondContact O-N 3.34Å; N158-L162 VanDerWaalsContact O-N 3.17Å
159A90.8Very high92.8Very high0 Ų052.6 Ų52.60%028%0.284CS..Hα-helixtrans-53.5-40.6178.300000113.4D107 Q109 Q161 L162 F198 Y202D107-A159 PolarHBondContact OD1-N 3.13Å; Q109-A159 HydrophobicContact CB-CB 4.14Å; Q109-A159 HydrophobicContact CG-CB 4.36Å; A159-Q161 VanDerWaalsContact C-N 3.31Å; A159-Q161 PolarHBondContact O-N 3.21Å; A159-L162 WeakPolarHBondContact O-CB 3.42Å; A159-L162 PolarHBondContact O-N 3.28Å; A159-F198 HydrophobicContact CB-CD1 4.11Å; A159-F198 HydrophobicContact CB-CE1 3.53Å; A159-F198 HydrophobicContact CB-CZ 4.34Å; A159-F198 VanDerWaalsContact O-CZ 3.31Å; A159-F198 WeakPolarHBondContact O-CZ 3.27Å; A159-Y202 HydrophobicContact CB-CE1 3.88Å; A159-Y202 HydrophobicContact CB-CE2 4.48Å; A159-Y202 WeakPolarHBondContact CB-OH 3.33Å
160S87.9Confident92.7Very high58 Ų5853.4 Ų53.441%0.40629%0.29SS..Hα-helixtrans-65-30.9175.960.10000114N158 T164N158-S160 VanDerWaalsContact C-N 3.27Å; N158-S160 PolarHBondContact O-N 3.1Å; S160-T164 PolarHBondContact O-N 3.01Å; S160-T164 PolarHBondContact O-OG1 2.99Å
161Q92Very high92.7Very high58 Ų5858.2 Ų58.227%0.27132%0.315SS..Hα-helixtrans-75.2-30.8177.6-68.5174.4-25.600111.7F157 N158 A159 I163 T164 Q165F157-Q161 HydrophobicContact CB-CB 4.42Å; F157-Q161 HydrophobicContact CD1-CB 4.3Å; N158-Q161 HydrophobicContact CB-CG 4.29Å; N158-Q161 VanDerWaalsContact N-OE1 3.15Å; N158-Q161 WeakPolarHBondContact O-CA 3.18Å; N158-Q161 WeakPolarHBondContact O-CB 3.33Å; N158-Q161 PolarHBondContact O-N 2.94Å; A159-Q161 VanDerWaalsContact C-N 3.31Å; A159-Q161 PolarHBondContact O-N 3.21Å; Q161-I163 PolarHBondContact O-N 3.09Å; Q161-T164 WeakPolarHBondContact CA-OG1 3.38Å; Q161-T164 PolarHBondContact O-N 2.91Å; Q161-Q165 WeakPolarHBondContact O-CA 3.26Å; Q161-Q165 WeakPolarHBondContact O-CB 3.27Å; Q161-Q165 PolarHBondContact O-N 2.92Å
162L91.4Very high92.7Very high2 Ų254.7 Ų54.71%0.0130%0.301CS..Hα-helixtrans-62.5-30175.5-62.4172.9000112.3V111 V154 F157 N158 A159 V169 L196 F198V111-L162 HydrophobicContact CG1-CD1 4.41Å; V111-L162 HydrophobicContact CG2-CD1 4.05Å; V154-L162 HydrophobicContact CG1-CD1 3.87Å; F157-L162 HydrophobicContact CB-CD2 3.79Å; F157-L162 HydrophobicContact CB-CG 4.27Å; F157-L162 HydrophobicContact CG-CD2 4.42Å; N158-L162 PolarHBondContact O-N 3.34Å; N158-L162 VanDerWaalsContact O-N 3.17Å; A159-L162 WeakPolarHBondContact O-CB 3.42Å; A159-L162 PolarHBondContact O-N 3.28Å; L162-V169 HydrophobicContact CD2-CG1 3.99Å; L162-V169 HydrophobicContact CD2-CG2 4.03Å; L162-L196 HydrophobicContact CB-CD1 3.97Å; L162-F198 HydrophobicContact CB-CZ 4.39Å
163I89.1Confident92.8Very high92 Ų9252.4 Ų52.447%0.47229%0.285SS..Hα-helixtrans-78.5-54.4174.1-55176.9000110.3Q161 L196 F198Q161-I163 PolarHBondContact O-N 3.09Å; I163-L196 HydrophobicContact CG1-CD2 4.49Å; I163-F198 HydrophobicContact CD1-CD2 4.21Å; I163-F198 HydrophobicContact CD1-CE2 3.42Å; I163-F198 VanDerWaalsContact CD1-CE2 3.42Å; I163-F198 HydrophobicContact CD1-CZ 3.94Å; I163-F198 HydrophobicContact CG1-CE2 3.41Å; I163-F198 VanDerWaalsContact CG1-CE2 3.41Å; I163-F198 HydrophobicContact CG1-CZ 3.67Å
164T90.4Very high92.8Very high108 Ų10857.1 Ų57.166%0.66330%0.303SS*.Hα-helixtrans-75.7-35.6-170.251.50000113.6S160 Q161S160-T164 PolarHBondContact O-N 3.01Å; S160-T164 PolarHBondContact O-OG1 2.99Å; Q161-T164 WeakPolarHBondContact CA-OG1 3.38Å; Q161-T164 PolarHBondContact O-N 2.91Å
165Q93.2Very high92.9Very high76 Ų7665 Ų6536%0.35533%0.333SS..THydrogen-bonded Turntrans-110.630.8-176.2-59.6178.86.300112.3Q161 A167 Q168 V169Q161-Q165 WeakPolarHBondContact O-CA 3.26Å; Q161-Q165 WeakPolarHBondContact O-CB 3.27Å; Q161-Q165 PolarHBondContact O-N 2.92Å; Q165-A167 PolarHBondContact O-N 2.9Å; Q165-A167 VanDerWaalsContact O-N 3.1Å; Q165-Q168 PolarHBondContact O-N 2.94Å; Q165-V169 PolarHBondContact O-N 3.4Å; Q165-V169 VanDerWaalsContact O-N 3.16Å
166R91.6Very high92.9Very high103 Ų10365.1 Ų65.139%0.38933%0.325SS..Hα-helixtrans-52-37.5-175.6-171.5-179.2-173.7-90.58.1114V169 S170 I193R166-V169 PolarHBondContact O-N 3.47Å; R166-S170 WeakPolarHBondContact O-CB 3.4Å; R166-S170 PolarHBondContact O-N 2.98Å; R166-I193 VanDerWaalsContact NH2-C 3.31Å; R166-I193 PolarHBondContact NH2-O 3.3Å
167A92.6Very high93Very high82 Ų8259.7 Ų59.768%0.67830%0.301SS*.Hα-helixtrans-63.5-43.5179.100000112.3Q165 S170 L171Q165-A167 PolarHBondContact O-N 2.9Å; Q165-A167 VanDerWaalsContact O-N 3.1Å; A167-S170 PolarHBondContact O-N 3.24Å; A167-L171 PolarHBondContact O-N 2.91Å
168Q93.6Very high93Very high112 Ų11260.8 Ų60.852%0.52331%0.31SS..Hα-helixtrans-66.1-43.7178-175.81783.300111.2Q165 S170 L171 L172Q165-Q168 PolarHBondContact O-N 2.94Å; Q168-S170 VanDerWaalsContact C-N 3.35Å; Q168-S170 PolarHBondContact O-N 2.51Å; Q168-L171 PolarHBondContact O-N 3.21Å; Q168-L172 PolarHBondContact O-N 3.22Å
169V93.6Very high93.1Very high4 Ų463.7 Ų63.72%0.02432%0.321CS..Hα-helixtrans-60.9-45.5175.8179.70000110.4V153 F157 L162 Q165 R166 L171 L172 V173 I193V153-V169 HydrophobicContact CG1-CG1 4.23Å; F157-V169 HydrophobicContact CD1-CG2 4.14Å; F157-V169 HydrophobicContact CD2-CG2 3.97Å; F157-V169 HydrophobicContact CE1-CG2 4.15Å; F157-V169 HydrophobicContact CE2-CG2 4.01Å; F157-V169 HydrophobicContact CG-CG2 4.05Å; F157-V169 HydrophobicContact CZ-CG2 4.1Å; L162-V169 HydrophobicContact CD2-CG1 3.99Å; L162-V169 HydrophobicContact CD2-CG2 4.03Å; Q165-V169 PolarHBondContact O-N 3.4Å; Q165-V169 VanDerWaalsContact O-N 3.16Å; R166-V169 PolarHBondContact O-N 3.47Å; V169-L171 VanDerWaalsContact C-N 3.32Å; V169-L171 PolarHBondContact O-N 3.07Å; V169-L172 PolarHBondContact O-N 3.04Å; V169-V173 HydrophobicContact CG1-CG2 4.26Å; V169-V173 WeakPolarHBondContact O-CB 3.48Å; V169-V173 VanDerWaalsContact O-CG2 3.32Å; V169-V173 WeakPolarHBondContact O-CG2 3.16Å; V169-V173 PolarHBondContact O-N 3.33Å; V169-I193 HydrophobicContact CG1-CD1 4.25Å
170S93.3Very high93.3Very high21 Ų2168.2 Ų68.215%0.14734%0.338CS..Hα-helixtrans-62.5-37.5179.2-169.20000112.8R166 A167 Q168 R174R166-S170 WeakPolarHBondContact O-CB 3.4Å; R166-S170 PolarHBondContact O-N 2.98Å; A167-S170 PolarHBondContact O-N 3.24Å; Q168-S170 VanDerWaalsContact C-N 3.35Å; Q168-S170 PolarHBondContact O-N 2.51Å; S170-R174 WeakPolarHBondContact O-CB 3.49Å; S170-R174 PolarHBondContact O-N 3.03Å
171L94.2Very high93.5Very high101 Ų10165.6 Ų65.653%0.52932%0.32SS..Hα-helixtrans-66.5-44.1175.9-174.3155.9000111A167 Q168 V169 R174 R175A167-L171 PolarHBondContact O-N 2.91Å; Q168-L171 PolarHBondContact O-N 3.21Å; V169-L171 VanDerWaalsContact C-N 3.32Å; V169-L171 PolarHBondContact O-N 3.07Å; L171-R174 PolarHBondContact O-N 3.36Å; L171-R175 PolarHBondContact O-N 3.18Å
172L94.9Very high93.5Very high42 Ų4269.1 Ų69.122%0.2234%0.335CS..Hα-helixtrans-64.7-47.6179.4-160.9156000110.9V153 F157 Q168 V169 R174 R175 E176V153-L172 HydrophobicContact CB-CD2 4.09Å; V153-L172 HydrophobicContact CG1-CD2 3.66Å; V153-L172 HydrophobicContact CG2-CD2 3.34Å; F157-L172 HydrophobicContact CE2-CD1 4.3Å; F157-L172 HydrophobicContact CZ-CD1 4.32Å; Q168-L172 PolarHBondContact O-N 3.22Å; V169-L172 PolarHBondContact O-N 3.04Å; L172-R174 VanDerWaalsContact C-N 3.29Å; L172-R174 PolarHBondContact O-N 3.32Å; L172-R175 PolarHBondContact O-N 2.99Å; L172-E176 HydrophobicContact CD2-CG 3.83Å; L172-E176 WeakPolarHBondContact O-CG 3.24Å; L172-E176 PolarHBondContact O-N 3.46Å; L172-E176 VanDerWaalsContact O-N 3.07Å
173V95.1Very high93.5Very high1 Ų174.3 Ų74.31%0.00636%0.362CS..Hα-helixtrans-56-44.8174.1169.90000111L150 V153 V169 R175 L177 V191L150-V173 HydrophobicContact CD2-CG1 4.08Å; L150-V173 HydrophobicContact CD2-CG2 4.16Å; V153-V173 HydrophobicContact CB-CG2 4Å; V153-V173 HydrophobicContact CG1-CG2 3.65Å; V153-V173 HydrophobicContact CG2-CG2 4.21Å; V169-V173 HydrophobicContact CG1-CG2 4.26Å; V169-V173 WeakPolarHBondContact O-CB 3.48Å; V169-V173 VanDerWaalsContact O-CG2 3.32Å; V169-V173 WeakPolarHBondContact O-CG2 3.16Å; V169-V173 PolarHBondContact O-N 3.33Å; V173-R175 PolarHBondContact O-N 3.39Å; V173-L177 HydrophobicContact CG1-CD1 3.59Å; V173-L177 HydrophobicContact CG1-CG 4.21Å; V173-L177 VanDerWaalsContact O-CB 3.27Å; V173-L177 WeakPolarHBondContact O-CB 3.46Å; V173-L177 VanDerWaalsContact O-CG 3.26Å; V173-L177 WeakPolarHBondContact O-CG 3.48Å; V173-L177 PolarHBondContact O-N 3.16Å; V173-V191 HydrophobicContact CG1-CG1 4.3Å
174R95Very high93.6Very high100 Ų10073.3 Ų73.338%0.37736%0.355SS..Hα-helixtrans-59.6-46.9177.3180-176.2-63.3-140.1-6.7111.8S170 L171 L172 L177 V178 D190 V191S170-R174 WeakPolarHBondContact O-CB 3.49Å; S170-R174 PolarHBondContact O-N 3.03Å; L171-R174 PolarHBondContact O-N 3.36Å; L172-R174 VanDerWaalsContact C-N 3.29Å; L172-R174 PolarHBondContact O-N 3.32Å; R174-L177 PolarHBondContact O-N 3.39Å; R174-V178 HydrophobicContact CG-CG2 4.33Å; R174-V178 WeakPolarHBondContact O-CB 3.21Å; R174-V178 WeakPolarHBondContact O-CG2 3.46Å; R174-V178 PolarHBondContact O-N 3.02Å; R174-D190 IonicContact CZ-OD1 3.45Å; R174-D190 IonicContact NH1-OD1 2.94Å; R174-D190 IonicContact NH2-OD1 2.89Å; R174-D190 PolarHBondContact NH2-OD1 3.06Å; R174-V191 HydrophobicContact CB-CB 4.26Å; R174-V191 HydrophobicContact CG-CB 4.25Å; R174-V191 HydrophobicContact CG-CG2 4.47Å; R174-V191 PolarHBondContact NH2-O 3.49Å
175R95.1Very high93.7Very high165 Ų16569.6 Ų69.662%0.62333%0.331SS*.Hα-helixtrans-60.2-52.8-178.6-178.1-177.3-66.2169.5-2.1111.4L171 L172 V173 L177 V178 E179L171-R175 PolarHBondContact O-N 3.18Å; L172-R175 PolarHBondContact O-N 2.99Å; V173-R175 PolarHBondContact O-N 3.39Å; R175-L177 PolarHBondContact O-N 2.89Å; R175-V178 PolarHBondContact O-N 3.1Å; R175-E179 PolarHBondContact O-N 3.17Å
176E95.6Very high93.7Very high54 Ų5466.1 Ų66.125%0.25231%0.314SS..Hα-helixtrans-63.6-40.5-178.6-64.8-75.1166.600111.5V149 V153 L172 E179 R180V149-E176 HydrophobicContact CG1-CB 3.51Å; V149-E176 HydrophobicContact CG2-CB 4.41Å; V153-E176 HydrophobicContact CG2-CG 4.24Å; L172-E176 HydrophobicContact CD2-CG 3.83Å; L172-E176 WeakPolarHBondContact O-CG 3.24Å; L172-E176 PolarHBondContact O-N 3.46Å; L172-E176 VanDerWaalsContact O-N 3.07Å; E176-E179 PolarHBondContact O-N 3.27Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.79Å
177L95.3Very high93.8Very high1 Ų163.3 Ų63.31%0.00531%0.307CS..Hα-helixtrans-65.8-41.6175.9-77175.9000112.6I145 V146 V149 V173 R174 R175 E179 A181 L188 V191I145-L177 HydrophobicContact CG2-CD2 3.93Å; V146-L177 HydrophobicContact CB-CD2 4.45Å; V146-L177 HydrophobicContact CG2-CD1 4.42Å; V146-L177 HydrophobicContact CG2-CD2 3.93Å; V149-L177 HydrophobicContact CB-CD2 3.63Å; V149-L177 HydrophobicContact CB-CG 4.08Å; V149-L177 HydrophobicContact CG1-CD2 3.99Å; V149-L177 HydrophobicContact CG1-CG 3.85Å; V149-L177 HydrophobicContact CG2-CD2 3.76Å; V149-L177 HydrophobicContact CG2-CG 4.37Å; V173-L177 HydrophobicContact CG1-CD1 3.59Å; V173-L177 HydrophobicContact CG1-CG 4.21Å; V173-L177 VanDerWaalsContact O-CB 3.27Å; V173-L177 WeakPolarHBondContact O-CB 3.46Å; V173-L177 VanDerWaalsContact O-CG 3.26Å; V173-L177 WeakPolarHBondContact O-CG 3.48Å; V173-L177 PolarHBondContact O-N 3.16Å; R174-L177 PolarHBondContact O-N 3.39Å; R175-L177 PolarHBondContact O-N 2.89Å; L177-E179 VanDerWaalsContact C-N 3.31Å; L177-A181 WeakPolarHBondContact O-CB 3.14Å; L177-A181 PolarHBondContact O-N 3.5Å; L177-L188 HydrophobicContact CB-CD1 3.73Å; L177-V191 HydrophobicContact CD1-CG1 3.68Å; L177-V191 HydrophobicContact CD1-CG2 4.31Å
178V94.9Very high93.9Very high45 Ų4560.4 Ų60.427%0.27328%0.28SS..Hα-helixtrans-64.5-40.2177.3167.50000110.5R174 R175 K182 L188R174-V178 HydrophobicContact CG-CG2 4.33Å; R174-V178 WeakPolarHBondContact O-CB 3.21Å; R174-V178 WeakPolarHBondContact O-CG2 3.46Å; R174-V178 PolarHBondContact O-N 3.02Å; R175-V178 PolarHBondContact O-N 3.1Å; V178-K182 WeakPolarHBondContact O-CG 3.38Å; V178-K182 PolarHBondContact O-N 2.88Å; V178-L188 HydrophobicContact CG2-CB 4.14Å; V178-L188 HydrophobicContact CG2-CD1 4.5Å
179E94.8Very high93.8Very high112 Ų11258.7 Ų58.752%0.52327%0.274SS..Hα-helixtrans-63.6-51.3176.8-170168177.700111.2R175 E176 L177 A181 K182R175-E179 PolarHBondContact O-N 3.17Å; E176-E179 PolarHBondContact O-N 3.27Å; L177-E179 VanDerWaalsContact C-N 3.31Å; E179-A181 VanDerWaalsContact C-N 3.35Å; E179-A181 PolarHBondContact O-N 2.8Å; E179-K182 WeakPolarHBondContact O-CB 3.34Å; E179-K182 PolarHBondContact O-N 3.15Å
180R94.9Very high93.7Very high96 Ų9660.4 Ų60.436%0.36228%0.283SS..Hα-helixtrans-65.9-33.1177.8-67.5-54.1-163.998.113.9113.9I145 E148 V149 E176 K182 D183 F184I145-R180 HydrophobicContact CG2-CB 3.62Å; E148-R180 IonicContact OE1-CZ 3.19Å; E148-R180 IonicContact OE1-NH1 2.84Å; E148-R180 PolarHBondContact OE1-NH1 3.36Å; E148-R180 IonicContact OE1-NH2 2.8Å; E148-R180 PolarHBondContact OE1-NH2 2.91Å; E148-R180 IonicContact OE2-NH1 3.63Å; V149-R180 HydrophobicContact CG2-CB 4.48Å; V149-R180 HydrophobicContact CG2-CG 4.03Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.79Å; R180-K182 VanDerWaalsContact C-N 3.29Å; R180-K182 PolarHBondContact O-N 2.97Å; R180-D183 PolarHBondContact O-N 3.26Å; R180-F184 WeakPolarHBondContact O-CD2 3.4Å
181A93.1Very high93.7Very high2 Ų259.4 Ų59.42%0.01728%0.276CS..Hα-helixtrans-68.7-27.9178.600000112.9L177 E179 D183 F184 N185 I186 L188L177-A181 WeakPolarHBondContact O-CB 3.14Å; L177-A181 PolarHBondContact O-N 3.5Å; E179-A181 VanDerWaalsContact C-N 3.35Å; E179-A181 PolarHBondContact O-N 2.8Å; A181-D183 VanDerWaalsContact C-N 3.31Å; A181-D183 PolarHBondContact O-N 2.92Å; A181-F184 PolarHBondContact O-N 3.39Å; A181-N185 PolarHBondContact O-N 3.41Å; A181-I186 CarbonylContact C-O 3.22Å; A181-I186 HydrophobicContact CB-CB 4.37Å; A181-I186 PolarHBondContact O-N 3.17Å; A181-L188 HydrophobicContact CB-CD1 3.82Å; A181-L188 HydrophobicContact CB-CD2 4.47Å; A181-L188 HydrophobicContact CB-CG 3.8Å
182K91.9Very high93.6Very high133 Ų13355.8 Ų55.858%0.57826%0.261SS*.Hα-helixtrans-62.7-37.4177.3-76.7170.6-178.9-177.60112.4V178 E179 R180 F184 N185V178-K182 WeakPolarHBondContact O-CG 3.38Å; V178-K182 PolarHBondContact O-N 2.88Å; E179-K182 WeakPolarHBondContact O-CB 3.34Å; E179-K182 PolarHBondContact O-N 3.15Å; R180-K182 VanDerWaalsContact C-N 3.29Å; R180-K182 PolarHBondContact O-N 2.97Å; K182-F184 PolarHBondContact O-N 2.91Å; K182-F184 VanDerWaalsContact O-N 3.15Å; K182-N185 PolarHBondContact O-N 3.36Å
183D91.6Very high93.6Very high111 Ų11154.2 Ų54.259%0.59425%0.253SS*.Hα-helixtrans-58.9-28.7178.6-61.4-23.8000112.1R180 A181R180-D183 PolarHBondContact O-N 3.26Å; A181-D183 VanDerWaalsContact C-N 3.31Å; A181-D183 PolarHBondContact O-N 2.92Å
184F91.3Very high93.4Very high71 Ų7156.5 Ų56.531%0.31127%0.266SS..THydrogen-bonded Turntrans-9910.2178.4-61.2-82.3000113.6L133 V141 I145 R180 A181 K182 I186L133-F184 HydrophobicContact CD1-CB 4.26Å; L133-F184 HydrophobicContact CD2-CD1 4.1Å; V141-F184 HydrophobicContact CG1-CB 4.4Å; V141-F184 HydrophobicContact CG1-CD1 4.06Å; V141-F184 HydrophobicContact CG1-CD2 4.13Å; V141-F184 HydrophobicContact CG1-CE1 4.34Å; V141-F184 HydrophobicContact CG1-CE2 4.4Å; V141-F184 HydrophobicContact CG1-CG 3.92Å; V141-F184 HydrophobicContact CG1-CZ 4.49Å; I145-F184 HydrophobicContact CD1-CD2 3.31Å; I145-F184 HydrophobicContact CD1-CE2 3.48Å; I145-F184 VanDerWaalsContact CD1-CE2 3.48Å; I145-F184 HydrophobicContact CD1-CG 4.18Å; I145-F184 HydrophobicContact CD1-CZ 4.46Å; I145-F184 HydrophobicContact CG1-CD2 4.29Å; I145-F184 HydrophobicContact CG1-CE2 3.96Å; R180-F184 WeakPolarHBondContact O-CD2 3.4Å; A181-F184 PolarHBondContact O-N 3.39Å; K182-F184 PolarHBondContact O-N 2.91Å; K182-F184 VanDerWaalsContact O-N 3.15Å; F184-I186 HydrophobicContact CB-CD1 4.07Å; F184-I186 HydrophobicContact CB-CG1 4.33Å; F184-I186 PolarHBondContact O-N 3.5Å
185N92.1Very high93.1Very high30 Ų3057.7 Ų57.716%0.1628%0.276CS..THydrogen-bonded Turntrans5930.3-176.6-57.8-80.1000114.1M122 S125 A181 K182M122-N185 HydrophobicContact CB-CB 4.36Å; M122-N185 WeakPolarHBondContact CB-O 3.16Å; M122-N185 PolarHBondContact N-O 3.23Å; S125-N185 VanDerWaalsContact CB-OD1 3.27Å; S125-N185 WeakPolarHBondContact CB-OD1 3.48Å; S125-N185 PolarHBondContact OG-OD1 2.87Å; A181-N185 PolarHBondContact O-N 3.41Å; K182-N185 PolarHBondContact O-N 3.36Å
186I93.1Very high92.9Very high2 Ų252 Ų521%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-105.4135176.6-59.6166.1000108.8Y137 V141 L142 A181 F184 L188Y137-I186 HydrophobicContact CD2-CD1 3.76Å; Y137-I186 HydrophobicContact CD2-CG1 3.95Å; Y137-I186 HydrophobicContact CE2-CD1 4.43Å; Y137-I186 HydrophobicContact CE2-CG1 4.32Å; V141-I186 HydrophobicContact CG1-CD1 4.4Å; L142-I186 HydrophobicContact CD2-CD1 4.47Å; L142-I186 HydrophobicContact CD2-CG2 4.39Å; A181-I186 CarbonylContact C-O 3.22Å; A181-I186 HydrophobicContact CB-CB 4.37Å; A181-I186 PolarHBondContact O-N 3.17Å; F184-I186 HydrophobicContact CB-CD1 4.07Å; F184-I186 HydrophobicContact CB-CG1 4.33Å; F184-I186 PolarHBondContact O-N 3.5Å; I186-L188 HydrophobicContact CG2-CD2 4.31Å
187I93.6Very high92.7Very high44 Ų4452.1 Ų52.123%0.22627%0.265CS..EExtended strand (participates in β ladder)trans-102127.2175.8-59.3167.7000108.4S119 R120 M122S119-I187 WeakPolarHBondContact CA-O 3.47Å; R120-I187 HydrophobicContact CG-CB 4Å; R120-I187 HydrophobicContact CG-CG2 4.44Å; R120-I187 PolarHBondContact N-O 3.1Å; R120-I187 PolarHBondContact O-N 3.1Å; M122-I187 HydrophobicContact CB-CD1 4.05Å; M122-I187 HydrophobicContact CB-CG1 4.29Å; M122-I187 HydrophobicContact CE-CD1 4.42Å; M122-I187 HydrophobicContact CE-CG1 4.19Å; M122-I187 HydrophobicContact CG-CD1 4.07Å
188L94.3Very high92.5Very high21 Ų2153.6 Ų53.611%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-100111.1171.7-57.4-179.8000108.6L118 L142 L177 V178 A181 I186 V191L118-L188 CarbonylContact O-C 3.6Å; L118-L188 WeakPolarHBondContact O-CA 3.21Å; L142-L188 HydrophobicContact CD2-CD2 4.32Å; L177-L188 HydrophobicContact CB-CD1 3.73Å; V178-L188 HydrophobicContact CG2-CB 4.14Å; V178-L188 HydrophobicContact CG2-CD1 4.5Å; A181-L188 HydrophobicContact CB-CD1 3.82Å; A181-L188 HydrophobicContact CB-CD2 4.47Å; A181-L188 HydrophobicContact CB-CG 3.8Å; I186-L188 HydrophobicContact CG2-CD2 4.31Å; L188-V191 HydrophobicContact CB-CG2 4.23Å; L188-V191 HydrophobicContact CD1-CG2 4.03Å
189D92.1Very high92.3Very high77 Ų7753.6 Ų53.641%0.41227%0.273SS..EExtended strand (participates in β ladder)trans-79.4-35.2179.4-64.4-40.5000111A94 L118 R120A94-D189 WeakPolarHBondContact CB-OD2 3.35Å; L118-D189 HydrophobicContact CB-CB 4.49Å; L118-D189 PolarHBondContact O-N 3.2Å; R120-D189 VanDerWaalsContact CD-OD2 3.27Å; R120-D189 WeakPolarHBondContact CD-OD2 3.48Å; R120-D189 IonicContact CZ-OD1 2.68Å; R120-D189 IonicContact NE-OD1 3.64Å; R120-D189 PolarHBondContact NE-OD1 3.39Å; R120-D189 IonicContact NE-OD2 3.76Å; R120-D189 PolarHBondContact NE-OD2 2.85Å; R120-D189 IonicContact NH2-OD1 3.63Å
190D92.2Very high92Very high39 Ų3952.5 Ų52.521%0.20928%0.278CS..EExtended strand (participates in β ladder)trans-148.9145.3176.8-174.238.3000111.6R116 L118 R174R116-D190 IonicContact CZ-OD2 3.77Å; R116-D190 IonicContact NH1-OD2 2.68Å; R116-D190 PolarHBondContact NH1-OD2 3.37Å; R116-D190 IonicContact NH2-OD2 4Å; R116-D190 PolarHBondContact NH2-OD2 3.02Å; L118-D190 HydrophobicContact CB-CB 4.11Å; L118-D190 HydrophobicContact CD1-CB 3.89Å; L118-D190 HydrophobicContact CG-CB 4.39Å; L118-D190 PolarHBondContact N-O 3.44Å; R174-D190 IonicContact CZ-OD1 3.45Å; R174-D190 IonicContact NH1-OD1 2.94Å; R174-D190 IonicContact NH2-OD1 2.89Å; R174-D190 PolarHBondContact NH2-OD1 3.06Å
191V93.4Very high91.8Very high1 Ų154.7 Ų54.71%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-136.8123.6174178.40000107.8V115 V117 V173 R174 L177 L188V115-V191 HydrophobicContact CG1-CG1 3.77Å; V117-V191 HydrophobicContact CG1-CG1 4.27Å; V117-V191 HydrophobicContact CG1-CG2 4.18Å; V173-V191 HydrophobicContact CG1-CG1 4.3Å; R174-V191 HydrophobicContact CB-CB 4.26Å; R174-V191 HydrophobicContact CG-CB 4.25Å; R174-V191 HydrophobicContact CG-CG2 4.47Å; R174-V191 PolarHBondContact NH2-O 3.49Å; L177-V191 HydrophobicContact CD1-CG1 3.68Å; L177-V191 HydrophobicContact CD1-CG2 4.31Å; L188-V191 HydrophobicContact CB-CG2 4.23Å; L188-V191 HydrophobicContact CD1-CG2 4.03Å
192A92.3Very high91.6Very high24 Ų2456.6 Ų56.620%0.19830%0.299CS..EExtended strand (participates in β ladder)trans-137.3131.7178.400000110.7V115 R116 T194V115-A192 WeakPolarHBondContact CA-O 3.18Å; R116-A192 PolarHBondContact N-O 3.4Å; R116-A192 PolarHBondContact O-N 3.04Å; A192-T194 PolarHBondContact O-N 2.98Å
193I93.1Very high91.5Very high10 Ų1052.7 Ų52.75%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-65.8126.9164.7-56.5171.9000106.4I113 G114 V115 R166 V169I113-I193 HydrophobicContact CG2-CG2 3.94Å; G114-I193 CarbonylContact O-C 3.57Å; G114-I193 WeakPolarHBondContact O-CA 3.07Å; V115-I193 HydrophobicContact CG2-CG1 4.37Å; R166-I193 VanDerWaalsContact NH2-C 3.31Å; R166-I193 PolarHBondContact NH2-O 3.3Å; V169-I193 HydrophobicContact CG1-CD1 4.25Å
194T90.9Very high91.5Very high48 Ų4849.9 Ų49.929%0.29428%0.279SS..EExtended strand (participates in β ladder)trans-94.1-5417646.60000110.3G114 R116 A192G114-T194 VanDerWaalsContact C-OG1 3.31Å; G114-T194 PolarHBondContact O-N 3.29Å; G114-T194 PolarHBondContact O-OG1 3.38Å; G114-T194 VanDerWaalsContact O-OG1 3.14Å; R116-T194 HydrophobicContact CB-CG2 3.65Å; A192-T194 PolarHBondContact O-N 2.98Å
195E90.4Very high91.5Very high126 Ų12649.4 Ų49.459%0.58929%0.288SS*.EExtended strand (participates in β ladder)trans-129.7140.3-169.5-69.6166.2-145.300109.1I113 G114I113-E195 WeakPolarHBondContact CA-O 3.34Å; G114-E195 PolarHBondContact N-O 3.29Å; G114-E195 PolarHBondContact O-N 3.23Å
196L91.1Very high91.3Very high45 Ų4549.8 Ų49.824%0.23629%0.291CS..EExtended strand (participates in β ladder)trans-141.6111.1176-169.7144.8000107.4V111 N112 I113 L162 I163 F198V111-L196 HydrophobicContact CG1-CD2 4.09Å; V111-L196 HydrophobicContact CG1-CG 3.97Å; N112-L196 WeakPolarHBondContact O-CA 3.41Å; I113-L196 HydrophobicContact CD1-CD1 4.36Å; I113-L196 HydrophobicContact CG1-CD1 4.26Å; I113-L196 HydrophobicContact CG1-CG 4.33Å; L162-L196 HydrophobicContact CB-CD1 3.97Å; I163-L196 HydrophobicContact CG1-CD2 4.49Å; L196-F198 HydrophobicContact CD2-CD2 4.05Å; L196-F198 HydrophobicContact CD2-CE1 4.2Å; L196-F198 HydrophobicContact CD2-CE2 3.13Å; L196-F198 HydrophobicContact CD2-CZ 3.26Å
197S91.3Very high91.1Very high56 Ų5655 Ų5539%0.39232%0.316SS..EExtended strand (participates in β ladder)trans-126.6140.8-177.553.80000111.3V111 N112V111-S197 WeakPolarHBondContact CG1-O 3.43Å; N112-S197 WeakPolarHBondContact CB-OG 3.27Å; N112-S197 PolarHBondContact N-O 2.87Å; N112-S197 PolarHBondContact O-N 2.94Å
198F90.6Very high91.1Very high32 Ų3255.7 Ų55.714%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-107.7171.2175.1-57.5-85.7000109.7V111 A159 L162 I163 L196 Y202V111-F198 HydrophobicContact CB-CD1 4.35Å; V111-F198 HydrophobicContact CB-CE1 4.28Å; V111-F198 HydrophobicContact CG1-CD1 4.01Å; V111-F198 HydrophobicContact CG1-CE1 3.78Å; V111-F198 HydrophobicContact CG1-CZ 4.28Å; V111-F198 HydrophobicContact CG2-CD1 3.68Å; V111-F198 HydrophobicContact CG2-CE1 3.51Å; A159-F198 HydrophobicContact CB-CD1 4.11Å; A159-F198 HydrophobicContact CB-CE1 3.53Å; A159-F198 HydrophobicContact CB-CZ 4.34Å; A159-F198 VanDerWaalsContact O-CZ 3.31Å; A159-F198 WeakPolarHBondContact O-CZ 3.27Å; L162-F198 HydrophobicContact CB-CZ 4.39Å; I163-F198 HydrophobicContact CD1-CD2 4.21Å; I163-F198 HydrophobicContact CD1-CE2 3.42Å; I163-F198 VanDerWaalsContact CD1-CE2 3.42Å; I163-F198 HydrophobicContact CD1-CZ 3.94Å; I163-F198 HydrophobicContact CG1-CE2 3.41Å; I163-F198 VanDerWaalsContact CG1-CE2 3.41Å; I163-F198 HydrophobicContact CG1-CZ 3.67Å; L196-F198 HydrophobicContact CD2-CD2 4.05Å; L196-F198 HydrophobicContact CD2-CE1 4.2Å; L196-F198 HydrophobicContact CD2-CE2 3.13Å; L196-F198 HydrophobicContact CD2-CZ 3.26Å; F198-Y202 HydrophobicContact CB-CD1 3.96Å; F198-Y202 HydrophobicContact CD1-CD1 4.1Å; F198-Y202 HydrophobicContact CD1-CE1 4.24Å; F198-Y202 HydrophobicContact CG-CD1 4.01Å; F198-Y202 HydrophobicContact CG-CE1 4.43Å
199S89.9Confident91Very high45 Ų4561.3 Ų61.332%0.31535%0.352SS..  trans-58143.6168.265.40000110.5Q201 Y202 T203S199-Q201 PolarHBondContact O-N 3.47Å; S199-Y202 PolarHBondContact O-N 3.49Å; S199-Y202 VanDerWaalsContact OG-CB 3.3Å; S199-Y202 WeakPolarHBondContact OG-CB 3.16Å; S199-Y202 PolarHBondContact OG-N 3Å; S199-T203 PolarHBondContact O-N 2.95Å; S199-T203 VanDerWaalsContact O-N 3.1Å; S199-T203 PolarHBondContact O-OG1 3.3Å
200S89.8Confident91.1Very high90 Ų9063.2 Ų63.263%0.62936%0.358SS*.Hα-helixtrans-58.9-34.3-179.854.40000112.2A204S200-A204 WeakPolarHBondContact O-CB 3.37Å; S200-A204 PolarHBondContact O-N 3.49Å
201Q90.3Very high91.3Very high142 Ų14264.9 Ų64.966%0.66437%0.37SS*.Hα-helixtrans-65.4-39.4176.1-57.195.53.300112.2S199 A205S199-Q201 PolarHBondContact O-N 3.47Å; Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 3.48Å
202Y88.9Confident91.4Very high41 Ų4167.4 Ų67.416%0.16139%0.39CS..Hα-helixtrans-68.6-45.3178.6-175.4-94.4000111.2Q109 A159 F198 S199 A204 A205 V206Q109-Y202 HydrophobicContact CG-CD2 3.98Å; Q109-Y202 HydrophobicContact CG-CE2 3.82Å; A159-Y202 HydrophobicContact CB-CE1 3.88Å; A159-Y202 HydrophobicContact CB-CE2 4.48Å; A159-Y202 WeakPolarHBondContact CB-OH 3.33Å; F198-Y202 HydrophobicContact CB-CD1 3.96Å; F198-Y202 HydrophobicContact CD1-CD1 4.1Å; F198-Y202 HydrophobicContact CD1-CE1 4.24Å; F198-Y202 HydrophobicContact CG-CD1 4.01Å; F198-Y202 HydrophobicContact CG-CE1 4.43Å; S199-Y202 PolarHBondContact O-N 3.49Å; S199-Y202 VanDerWaalsContact OG-CB 3.3Å; S199-Y202 WeakPolarHBondContact OG-CB 3.16Å; S199-Y202 PolarHBondContact OG-N 3Å; Y202-A204 VanDerWaalsContact C-N 3.34Å; Y202-A204 PolarHBondContact O-N 2.95Å; Y202-A205 PolarHBondContact O-N 3.4Å; Y202-V206 HydrophobicContact CD1-CG2 3.91Å; Y202-V206 HydrophobicContact CE1-CG2 3.5Å; Y202-V206 HydrophobicContact CE2-CG2 4.39Å; Y202-V206 WeakPolarHBondContact O-CG2 3.39Å; Y202-V206 PolarHBondContact O-N 3.4Å
203T89.4Confident91.6Very high51 Ų5171.1 Ų71.131%0.31340%0.404SS..Hα-helixtrans-57.7-47.7176.4-55.40000111S199 A205 V206 E207S199-T203 PolarHBondContact O-N 2.95Å; S199-T203 VanDerWaalsContact O-N 3.1Å; S199-T203 PolarHBondContact O-OG1 3.3Å; T203-A205 VanDerWaalsContact C-N 3.34Å; T203-A205 PolarHBondContact O-N 2.84Å; T203-V206 PolarHBondContact O-N 2.91Å; T203-E207 HydrophobicContact CG2-CG 4.49Å; T203-E207 WeakPolarHBondContact O-CB 3.35Å; T203-E207 WeakPolarHBondContact O-CG 3.49Å; T203-E207 PolarHBondContact O-N 3.05Å
204A91.9Very high91.7Very high53 Ų5375.2 Ų75.244%0.43842%0.423SS..Hα-helixtrans-60.7-40.8177.300000112.5S200 Y202 A208S200-A204 WeakPolarHBondContact O-CB 3.37Å; S200-A204 PolarHBondContact O-N 3.49Å; Y202-A204 VanDerWaalsContact C-N 3.34Å; Y202-A204 PolarHBondContact O-N 2.95Å; A204-A208 VanDerWaalsContact O-CB 3.29Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 2.92Å
205A89.8Confident92Very high60 Ų6078.7 Ų78.750%0.49644%0.435SS..Hα-helixtrans-66.9-38.5177.300000112.7Q201 Y202 T203 K209Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 3.48Å; Y202-A205 PolarHBondContact O-N 3.4Å; T203-A205 VanDerWaalsContact C-N 3.34Å; T203-A205 PolarHBondContact O-N 2.84Å; A205-K209 WeakPolarHBondContact O-CB 3.45Å; A205-K209 PolarHBondContact O-N 2.94Å
206V88.1Confident92.3Very high38 Ų3875.1 Ų75.123%0.2343%0.427CS..Hα-helixtrans-67.9-44.5176.3171.50000110.9Y202 T203 K209 Q210Y202-V206 HydrophobicContact CD1-CG2 3.91Å; Y202-V206 HydrophobicContact CE1-CG2 3.5Å; Y202-V206 HydrophobicContact CE2-CG2 4.39Å; Y202-V206 WeakPolarHBondContact O-CG2 3.39Å; Y202-V206 PolarHBondContact O-N 3.4Å; T203-V206 PolarHBondContact O-N 2.91Å; V206-K209 PolarHBondContact O-N 2.82Å; V206-Q210 WeakPolarHBondContact O-CG 3.48Å; V206-Q210 PolarHBondContact O-N 3.23Å
207E89.9Confident92.6Very high112 Ų11279.1 Ų79.152%0.52345%0.445SS..Hα-helixtrans-60.8-47.4175.7-73.3174.5176.500111.1T203 K209 Q210 V211T203-E207 HydrophobicContact CG2-CG 4.49Å; T203-E207 WeakPolarHBondContact O-CB 3.35Å; T203-E207 WeakPolarHBondContact O-CG 3.49Å; T203-E207 PolarHBondContact O-N 3.05Å; E207-K209 VanDerWaalsContact C-N 3.29Å; E207-K209 PolarHBondContact O-N 2.89Å; E207-Q210 WeakPolarHBondContact O-CB 3.3Å; E207-Q210 PolarHBondContact O-N 2.68Å; E207-Q210 VanDerWaalsContact O-N 3.09Å; E207-V211 WeakPolarHBondContact O-CG2 3.4Å; E207-V211 PolarHBondContact O-N 2.91Å
208A94.3Very high92.9Very high59 Ų5983.9 Ų83.949%0.48845%0.454SS..Hα-helixtrans-58.9-41.3176.100000112.1A204 V211 A212A204-A208 VanDerWaalsContact O-CB 3.29Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 2.92Å; A208-V211 PolarHBondContact O-N 2.95Å; A208-A212 WeakPolarHBondContact O-CB 3.27Å; A208-A212 PolarHBondContact O-N 3.44Å
209K92.1Very high93.2Very high138 Ų13885 Ų8560%0.647%0.469SS*.Hα-helixtrans-63.8-40.9175-175177.7-178.3177.20111.9A205 V206 E207 A212 Q213A205-K209 WeakPolarHBondContact O-CB 3.45Å; A205-K209 PolarHBondContact O-N 2.94Å; V206-K209 PolarHBondContact O-N 2.82Å; E207-K209 VanDerWaalsContact C-N 3.29Å; E207-K209 PolarHBondContact O-N 2.89Å; K209-A212 PolarHBondContact O-N 2.88Å; K209-Q213 WeakPolarHBondContact O-CB 3.49Å; K209-Q213 VanDerWaalsContact O-CG 3.27Å; K209-Q213 WeakPolarHBondContact O-CG 3.44Å; K209-Q213 PolarHBondContact O-N 3.37Å
210Q92.8Very high93.6Very high118 Ų11888.9 Ų88.955%0.55148%0.483SS*.Hα-helixtrans-64.7-42.7177-74.5-179.62.100111.5V206 E207 Q213 Q214V206-Q210 WeakPolarHBondContact O-CG 3.48Å; V206-Q210 PolarHBondContact O-N 3.23Å; E207-Q210 WeakPolarHBondContact O-CB 3.3Å; E207-Q210 PolarHBondContact O-N 2.68Å; E207-Q210 VanDerWaalsContact O-N 3.09Å; Q210-Q213 PolarHBondContact O-N 2.83Å; Q210-Q214 WeakPolarHBondContact O-CB 3.43Å; Q210-Q214 PolarHBondContact O-N 3.27Å
211V96.6Very high93.9Very high74 Ų7491.4 Ų91.445%0.44848%0.482SS..Hα-helixtrans-60.9-50.2175.3174.10000110.4E207 A208 Q213 Q214 E215E207-V211 WeakPolarHBondContact O-CG2 3.4Å; E207-V211 PolarHBondContact O-N 2.91Å; A208-V211 PolarHBondContact O-N 2.95Å; V211-Q213 VanDerWaalsContact C-N 3.32Å; V211-Q213 PolarHBondContact O-N 3.15Å; V211-Q214 PolarHBondContact O-N 2.83Å; V211-Q214 VanDerWaalsContact O-N 3.13Å; V211-E215 HydrophobicContact CG1-CG 4.39Å; V211-E215 WeakPolarHBondContact O-CG 3.37Å; V211-E215 PolarHBondContact O-N 2.8Å
212A95.9Very high94.3Very high53 Ų5392.8 Ų92.844%0.43848%0.483SS..Hα-helixtrans-60.8-39.2178.700000112.6A208 K209 E215 A216A208-A212 WeakPolarHBondContact O-CB 3.27Å; A208-A212 PolarHBondContact O-N 3.44Å; K209-A212 PolarHBondContact O-N 2.88Å; A212-E215 PolarHBondContact O-N 3.37Å; A212-A216 WeakPolarHBondContact O-CB 3.25Å; A212-A216 PolarHBondContact O-N 2.94Å
213Q96.1Very high94.7Very high103 Ų10394.4 Ų94.448%0.48150%0.497SS..Hα-helixtrans-65.4-41.8174.8-77.4-179.1-18.800112K209 Q210 V211 A216 Q217K209-Q213 WeakPolarHBondContact O-CB 3.49Å; K209-Q213 VanDerWaalsContact O-CG 3.27Å; K209-Q213 WeakPolarHBondContact O-CG 3.44Å; K209-Q213 PolarHBondContact O-N 3.37Å; Q210-Q213 PolarHBondContact O-N 2.83Å; V211-Q213 VanDerWaalsContact C-N 3.32Å; V211-Q213 PolarHBondContact O-N 3.15Å; Q213-A216 PolarHBondContact O-N 2.65Å; Q213-Q217 WeakPolarHBondContact O-CG 3.46Å; Q213-Q217 PolarHBondContact O-N 3.46Å
214Q96.4Very high95.1Very high96 Ų9697.5 Ų97.545%0.44951%0.508SS..Hα-helixtrans-66.6-39.6177.2-169.9177.21800111.5Q210 V211 Q217 R218Q210-Q214 WeakPolarHBondContact O-CB 3.43Å; Q210-Q214 PolarHBondContact O-N 3.27Å; V211-Q214 PolarHBondContact O-N 2.83Å; V211-Q214 VanDerWaalsContact O-N 3.13Å; Q214-Q217 PolarHBondContact O-N 3.41Å; Q214-R218 WeakPolarHBondContact O-CB 3.49Å; Q214-R218 VanDerWaalsContact O-CG 3.27Å; Q214-R218 WeakPolarHBondContact O-CG 3.48Å; Q214-R218 PolarHBondContact O-N 3.14Å
215E96.6Very high95.4Very high120 Ų120100.5 Ų100.556%0.56151%0.511SS*.Hα-helixtrans-63.8-43.6174.6-74.6-178.9172.600111.8V211 A212 Q217 R218 A219V211-E215 HydrophobicContact CG1-CG 4.39Å; V211-E215 WeakPolarHBondContact O-CG 3.37Å; V211-E215 PolarHBondContact O-N 2.8Å; A212-E215 PolarHBondContact O-N 3.37Å; E215-Q217 PolarHBondContact O-N 2.85Å; E215-R218 PolarHBondContact O-N 3.37Å; E215-A219 WeakPolarHBondContact O-CB 3.25Å; E215-A219 PolarHBondContact O-N 2.79Å
216A97.2Very high95.7Very high51 Ų5199.9 Ų99.942%0.42151%0.506SS..Hα-helixtrans-61-4417500000112A212 Q213 A219 Q220A212-A216 WeakPolarHBondContact O-CB 3.25Å; A212-A216 PolarHBondContact O-N 2.94Å; Q213-A216 PolarHBondContact O-N 2.65Å; A216-A219 PolarHBondContact O-N 3.21Å; A216-Q220 WeakPolarHBondContact O-CG 3.48Å; A216-Q220 PolarHBondContact O-N 3.44Å
217Q97.4Very high96.2Very high130 Ų130103.6 Ų103.661%0.60752%0.519SS*.Hα-helixtrans-62.6-41.9175.2-74176.11.800111.9Q213 Q214 E215 Q220 F221Q213-Q217 WeakPolarHBondContact O-CG 3.46Å; Q213-Q217 PolarHBondContact O-N 3.46Å; Q214-Q217 PolarHBondContact O-N 3.41Å; E215-Q217 PolarHBondContact O-N 2.85Å; Q217-Q220 PolarHBondContact O-N 2.82Å; Q217-F221 PolarHBondContact O-N 3.44Å
218R97Very high96.5Very high156 Ų156103.4 Ų103.459%0.58952%0.518SS*.Hα-helixtrans-63.5-41.8175.6-75.5173.9-178.5-178.95.2112Q214 E215 F221 Y222Q214-R218 WeakPolarHBondContact O-CB 3.49Å; Q214-R218 VanDerWaalsContact O-CG 3.27Å; Q214-R218 WeakPolarHBondContact O-CG 3.48Å; Q214-R218 PolarHBondContact O-N 3.14Å; E215-R218 PolarHBondContact O-N 3.37Å; R218-F221 PolarHBondContact O-N 3.34Å; R218-Y222 WeakPolarHBondContact O-CB 3.27Å; R218-Y222 PolarHBondContact O-N 3.49Å
219A96.9Very high96.6Very high55 Ų55103.9 Ų103.946%0.45551%0.512SS..Hα-helixtrans-63.6-42.3177.300000111.4E215 A216 Y222 V223E215-A219 WeakPolarHBondContact O-CB 3.25Å; E215-A219 PolarHBondContact O-N 2.79Å; A216-A219 PolarHBondContact O-N 3.21Å; A219-Y222 PolarHBondContact O-N 3.03Å; A219-V223 WeakPolarHBondContact O-CG2 3.46Å; A219-V223 PolarHBondContact O-N 3.31Å
220Q97.6Very high96.9Very high127 Ų127103 Ų10359%0.59351%0.51SS*.Hα-helixtrans-59.6-47.8173.5-72.6175.15.100111.4A216 Q217 Y222 V223 E224A216-Q220 WeakPolarHBondContact O-CG 3.48Å; A216-Q220 PolarHBondContact O-N 3.44Å; Q217-Q220 PolarHBondContact O-N 2.82Å; Q220-Y222 VanDerWaalsContact C-N 3.29Å; Q220-Y222 PolarHBondContact O-N 2.81Å; Q220-V223 PolarHBondContact O-N 2.94Å; Q220-E224 WeakPolarHBondContact O-CG 3.46Å; Q220-E224 PolarHBondContact O-N 2.98Å
221F97.6Very high97.1Very high142 Ų142104.1 Ų104.162%0.62351%0.509SS*.Hα-helixtrans-60.9-37.9176.9-174.9-100.1000112.5Q217 R218 E224 K225Q217-F221 PolarHBondContact O-N 3.44Å; R218-F221 PolarHBondContact O-N 3.34Å; F221-E224 PolarHBondContact O-N 2.91Å; F221-K225 WeakPolarHBondContact O-CB 3.33Å; F221-K225 PolarHBondContact O-N 2.68Å
222Y97.4Very high97.1Very high172 Ų172107 Ų10768%0.67552%0.518SS*.Hα-helixtrans-65.1-42.6176.2-172.9-95.6000112R218 A219 Q220 K225 A226R218-Y222 WeakPolarHBondContact O-CB 3.27Å; R218-Y222 PolarHBondContact O-N 3.49Å; A219-Y222 PolarHBondContact O-N 3.03Å; Q220-Y222 VanDerWaalsContact C-N 3.29Å; Q220-Y222 PolarHBondContact O-N 2.81Å; Y222-K225 PolarHBondContact O-N 3.49Å; Y222-A226 WeakPolarHBondContact O-CB 3.25Å; Y222-A226 PolarHBondContact O-N 2.92Å
223V97.3Very high97.1Very high74 Ų74111.9 Ų111.945%0.44853%0.529SS..Hα-helixtrans-64.2-42175.8171.90000111.1A219 Q220 A226 K227A219-V223 WeakPolarHBondContact O-CG2 3.46Å; A219-V223 PolarHBondContact O-N 3.31Å; Q220-V223 PolarHBondContact O-N 2.94Å; V223-A226 PolarHBondContact O-N 2.8Å; V223-K227 HydrophobicContact CG1-CD 4.39Å; V223-K227 WeakPolarHBondContact O-CG 3.22Å; V223-K227 PolarHBondContact O-N 3.48Å
224E97.6Very high97.2Very high117 Ų117110.9 Ų110.955%0.54753%0.526SS..Hα-helixtrans-62.9-46.6175.3-74.3-180-176.800111.5Q220 F221 A226 K227 Q228Q220-E224 WeakPolarHBondContact O-CG 3.46Å; Q220-E224 PolarHBondContact O-N 2.98Å; F221-E224 PolarHBondContact O-N 2.91Å; E224-A226 VanDerWaalsContact C-N 3.35Å; E224-A226 PolarHBondContact O-N 2.94Å; E224-K227 WeakPolarHBondContact O-CB 3.21Å; E224-K227 PolarHBondContact O-N 2.95Å; E224-Q228 WeakPolarHBondContact O-CG 3.39Å; E224-Q228 PolarHBondContact O-N 2.98Å
225K97.9Very high97.3Very high115 Ų115111.7 Ų111.750%0.553%0.533SS..Hα-helixtrans-57.5-47.3175-174.2179.1178.9-179.10111.5F221 Y222 K227 Q228 D229F221-K225 WeakPolarHBondContact O-CB 3.33Å; F221-K225 PolarHBondContact O-N 2.68Å; Y222-K225 PolarHBondContact O-N 3.49Å; K225-K227 VanDerWaalsContact C-N 3.3Å; K225-K227 PolarHBondContact O-N 3.28Å; K225-Q228 PolarHBondContact O-N 2.82Å; K225-Q228 VanDerWaalsContact O-N 3.12Å; K225-D229 WeakPolarHBondContact O-CB 3.05Å; K225-D229 VanDerWaalsContact O-CG 3.29Å; K225-D229 PolarHBondContact O-N 2.97Å
226A97Very high97.3Very high48 Ų48111.3 Ų111.340%0.39753%0.531SS..Hα-helixtrans-60.8-38.1178.100000112.4Y222 V223 E224 Q230Y222-A226 WeakPolarHBondContact O-CB 3.25Å; Y222-A226 PolarHBondContact O-N 2.92Å; V223-A226 PolarHBondContact O-N 2.8Å; E224-A226 VanDerWaalsContact C-N 3.35Å; E224-A226 PolarHBondContact O-N 2.94Å; A226-Q230 WeakPolarHBondContact O-CB 3.35Å; A226-Q230 PolarHBondContact O-N 2.89Å
227K97.9Very high97.2Very high115 Ų115111.4 Ų111.450%0.553%0.532SS..Hα-helixtrans-65.6-41.3173.7-75.9174.7178.5177.70112.1V223 E224 K225 Q230 R231V223-K227 HydrophobicContact CG1-CD 4.39Å; V223-K227 WeakPolarHBondContact O-CG 3.22Å; V223-K227 PolarHBondContact O-N 3.48Å; E224-K227 WeakPolarHBondContact O-CB 3.21Å; E224-K227 PolarHBondContact O-N 2.95Å; K225-K227 VanDerWaalsContact C-N 3.3Å; K225-K227 PolarHBondContact O-N 3.28Å; K227-Q230 PolarHBondContact O-N 3.25Å; K227-R231 VanDerWaalsContact O-CG 3.31Å; K227-R231 WeakPolarHBondContact O-CG 3.44Å; K227-R231 PolarHBondContact O-N 3.16Å
228Q97.3Very high97.2Very high109 Ų109111 Ų11151%0.50953%0.53SS..Hα-helixtrans-66.6-44.4176.6-63-61.2-7.100111.2E224 K225 Q230 R231 Q232E224-Q228 WeakPolarHBondContact O-CG 3.39Å; E224-Q228 PolarHBondContact O-N 2.98Å; K225-Q228 PolarHBondContact O-N 2.82Å; K225-Q228 VanDerWaalsContact O-N 3.12Å; Q228-Q230 VanDerWaalsContact C-N 3.29Å; Q228-Q230 PolarHBondContact O-N 3.03Å; Q228-R231 PolarHBondContact O-N 3.32Å; Q228-Q232 WeakPolarHBondContact O-CB 3.44Å; Q228-Q232 PolarHBondContact O-N 2.87Å
229D96.9Very high97.1Very high68 Ų68105.4 Ų105.436%0.36452%0.521SS..Hα-helixtrans-61-39.4176.6-68.9-11.7000111.3K225 Q232 K233K225-D229 WeakPolarHBondContact O-CB 3.05Å; K225-D229 VanDerWaalsContact O-CG 3.29Å; K225-D229 PolarHBondContact O-N 2.97Å; D229-Q232 PolarHBondContact O-N 2.85Å; D229-K233 WeakPolarHBondContact O-CG 2.89Å; D229-K233 PolarHBondContact O-N 3.34Å
230Q97Very high97Very high119 Ų119108.2 Ų108.256%0.55653%0.525SS*.Hα-helixtrans-63.7-48.1174.5-175.7-17619.400111.6A226 K227 Q228 Q232 K233 I234A226-Q230 WeakPolarHBondContact O-CB 3.35Å; A226-Q230 PolarHBondContact O-N 2.89Å; K227-Q230 PolarHBondContact O-N 3.25Å; Q228-Q230 VanDerWaalsContact C-N 3.29Å; Q228-Q230 PolarHBondContact O-N 3.03Å; Q230-Q232 VanDerWaalsContact C-N 3.3Å; Q230-Q232 PolarHBondContact O-N 3.11Å; Q230-K233 PolarHBondContact O-N 3.09Å; Q230-I234 HydrophobicContact CG-CD1 4.1Å; Q230-I234 WeakPolarHBondContact O-CG1 3.23Å; Q230-I234 PolarHBondContact O-N 3.22Å
231R96.9Very high96.9Very high142 Ų142104.6 Ų104.654%0.53652%0.516SS..Hα-helixtrans-59.9-42.7177.1-73.7172.4-178.9-179.9-1.7111.3K227 Q228 K233 I234 I235K227-R231 VanDerWaalsContact O-CG 3.31Å; K227-R231 WeakPolarHBondContact O-CG 3.44Å; K227-R231 PolarHBondContact O-N 3.16Å; Q228-R231 PolarHBondContact O-N 3.32Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-K233 PolarHBondContact O-N 3.15Å; R231-I234 PolarHBondContact O-N 2.85Å; R231-I235 WeakPolarHBondContact O-CB 3.41Å; R231-I235 VanDerWaalsContact O-CG1 3.29Å; R231-I235 WeakPolarHBondContact O-CG1 3.31Å; R231-I235 PolarHBondContact O-N 3.35Å
232Q97.3Very high96.7Very high134 Ų134103.7 Ų103.763%0.62651%0.514SS*.Hα-helixtrans-59.4-43.3176-175.6178.6-15.300111.4Q228 D229 Q230 Q236Q228-Q232 WeakPolarHBondContact O-CB 3.44Å; Q228-Q232 PolarHBondContact O-N 2.87Å; D229-Q232 PolarHBondContact O-N 2.85Å; Q230-Q232 VanDerWaalsContact C-N 3.3Å; Q230-Q232 PolarHBondContact O-N 3.11Å; Q232-Q236 VanDerWaalsContact O-CB 3.24Å; Q232-Q236 WeakPolarHBondContact O-CB 3.34Å; Q232-Q236 PolarHBondContact O-N 3.33Å
233K96.9Very high96.5Very high157 Ų15798 Ų9868%0.68350%0.502SS*.Hα-helixtrans-65.3-39.7176.5-73.6174.9-177.3179.30113.1D229 Q230 R231 Q236 A237D229-K233 WeakPolarHBondContact O-CG 2.89Å; D229-K233 PolarHBondContact O-N 3.34Å; Q230-K233 PolarHBondContact O-N 3.09Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-K233 PolarHBondContact O-N 3.15Å; K233-Q236 PolarHBondContact O-N 3.37Å; K233-A237 VanDerWaalsContact O-CB 3.32Å; K233-A237 WeakPolarHBondContact O-CB 3.31Å; K233-A237 PolarHBondContact O-N 3.35Å
234I97.6Very high96Very high81 Ų8197.4 Ų97.442%0.41551%0.505SS..Hα-helixtrans-63.8-50.6176.9-67.4166.9000109.8Q230 R231 Q236 A237 E238Q230-I234 HydrophobicContact CG-CD1 4.1Å; Q230-I234 WeakPolarHBondContact O-CG1 3.23Å; Q230-I234 PolarHBondContact O-N 3.22Å; R231-I234 PolarHBondContact O-N 2.85Å; I234-Q236 VanDerWaalsContact C-N 3.29Å; I234-Q236 PolarHBondContact O-N 2.98Å; I234-A237 PolarHBondContact O-N 3.44Å; I234-A237 VanDerWaalsContact O-N 3.17Å; I234-E238 HydrophobicContact CG2-CG 4.36Å; I234-E238 WeakPolarHBondContact O-CB 3.14Å; I234-E238 WeakPolarHBondContact O-CG 3.4Å; I234-E238 PolarHBondContact O-N 3.32Å
235I97.4Very high95.8Very high114 Ų11499 Ų9959%0.58551%0.51SS*.Hα-helixtrans-59.9-41.5178.7-67166.6000110.6R231 G239R231-I235 WeakPolarHBondContact O-CB 3.41Å; R231-I235 VanDerWaalsContact O-CG1 3.29Å; R231-I235 WeakPolarHBondContact O-CG1 3.31Å; R231-I235 PolarHBondContact O-N 3.35Å; I235-G239 PolarHBondContact O-N 3.12Å
236Q96.4Very high95.3Very high111 Ų11198.9 Ų98.952%0.51951%0.513SS..Hα-helixtrans-62.9-46.2176.2-176.765.229.300111.7Q232 K233 I234 G239 E240Q232-Q236 VanDerWaalsContact O-CB 3.24Å; Q232-Q236 WeakPolarHBondContact O-CB 3.34Å; Q232-Q236 PolarHBondContact O-N 3.33Å; K233-Q236 PolarHBondContact O-N 3.37Å; I234-Q236 VanDerWaalsContact C-N 3.29Å; I234-Q236 PolarHBondContact O-N 2.98Å; Q236-G239 PolarHBondContact O-N 3.28Å; Q236-E240 PolarHBondContact NE2-OE1 2.92Å; Q236-E240 WeakPolarHBondContact O-CB 2.97Å; Q236-E240 WeakPolarHBondContact O-CG 3.43Å; Q236-E240 PolarHBondContact O-N 3.29Å
237A95.9Very high94.7Very high54 Ų5499.2 Ų99.245%0.44651%0.508SS..Hα-helixtrans-66.8-38.9179.400000112.4K233 I234 E240 A241K233-A237 VanDerWaalsContact O-CB 3.32Å; K233-A237 WeakPolarHBondContact O-CB 3.31Å; K233-A237 PolarHBondContact O-N 3.35Å; I234-A237 PolarHBondContact O-N 3.44Å; I234-A237 VanDerWaalsContact O-N 3.17Å; A237-E240 PolarHBondContact O-N 3.13Å; A237-A241 VanDerWaalsContact O-CB 3.27Å; A237-A241 WeakPolarHBondContact O-CB 3.41Å; A237-A241 PolarHBondContact O-N 2.83Å
238E96.4Very high94Very high120 Ų12095.2 Ų95.256%0.56150%0.499SS*.Hα-helixtrans-63.5-46.8173.1-75177.1173.100111I234 E240 A241 E242I234-E238 HydrophobicContact CG2-CG 4.36Å; I234-E238 WeakPolarHBondContact O-CB 3.14Å; I234-E238 WeakPolarHBondContact O-CG 3.4Å; I234-E238 PolarHBondContact O-N 3.32Å; E238-E240 VanDerWaalsContact C-N 3.32Å; E238-E240 PolarHBondContact O-N 2.94Å; E238-A241 PolarHBondContact O-N 3.44Å; E238-E242 WeakPolarHBondContact O-CB 3.27Å; E238-E242 PolarHBondContact O-N 3.43Å
239G96.7Very high93.4Very high39 Ų3996 Ų9640%0.40250%0.502SS..Hα-helixtrans-60-40.8175.300000112.5I235 Q236 A243I235-G239 PolarHBondContact O-N 3.12Å; Q236-G239 PolarHBondContact O-N 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.39Å; G239-A243 PolarHBondContact O-N 2.89Å
240E93.8Very high92.6Very high115 Ų11595.1 Ų95.154%0.53751%0.505SS..Hα-helixtrans-67.8-41.4174.5-77.2176.1-163.600112.5Q236 A237 E238 A243 A244Q236-E240 PolarHBondContact NE2-OE1 2.92Å; Q236-E240 WeakPolarHBondContact O-CB 2.97Å; Q236-E240 WeakPolarHBondContact O-CG 3.43Å; Q236-E240 PolarHBondContact O-N 3.29Å; A237-E240 PolarHBondContact O-N 3.13Å; E238-E240 VanDerWaalsContact C-N 3.32Å; E238-E240 PolarHBondContact O-N 2.94Å; E240-A243 PolarHBondContact O-N 2.93Å; E240-A244 WeakPolarHBondContact O-CB 3.36Å; E240-A244 PolarHBondContact O-N 2.73Å
241A94.8Very high91.8Very high50 Ų5090.5 Ų90.541%0.41349%0.485SS..Hα-helixtrans-65.6-41.8177.600000111.6A237 E238 A244 K245A237-A241 VanDerWaalsContact O-CB 3.27Å; A237-A241 WeakPolarHBondContact O-CB 3.41Å; A237-A241 PolarHBondContact O-N 2.83Å; E238-A241 PolarHBondContact O-N 3.44Å; A241-A244 PolarHBondContact O-N 3.32Å; A241-K245 WeakPolarHBondContact O-CG 3.3Å; A241-K245 PolarHBondContact O-N 3.38Å
242E95.1Very high90.8Very high124 Ų12489.6 Ų89.658%0.57950%0.495SS*.Hα-helixtrans-68.1-43.9176.2-163.4176.2-176.500111.3E238 A244 K245 M246E238-E242 WeakPolarHBondContact O-CB 3.27Å; E238-E242 PolarHBondContact O-N 3.43Å; E242-A244 VanDerWaalsContact C-N 3.32Å; E242-A244 PolarHBondContact O-N 3.18Å; E242-K245 PolarHBondContact O-N 3.47Å; E242-M246 HydrophobicContact CG-CE 4.13Å; E242-M246 PolarHBondContact O-N 2.85Å
243A91.6Very high90.1Very high51 Ų5191.7 Ų91.742%0.42150%0.502SS..Hα-helixtrans-59.6-41.7172.500000112G239 E240 M246 L247G239-A243 WeakPolarHBondContact O-CB 3.39Å; G239-A243 PolarHBondContact O-N 2.89Å; E240-A243 PolarHBondContact O-N 2.93Å; A243-M246 PolarHBondContact O-N 2.97Å; A243-L247 WeakPolarHBondContact O-CB 3.36Å; A243-L247 PolarHBondContact O-N 3.47Å
244A88.3Confident89.2Confident62 Ų6288.7 Ų88.751%0.51249%0.494SS..Hα-helixtrans-66.3-39.3176.900000112.1E240 A241 E242 G248E240-A244 WeakPolarHBondContact O-CB 3.36Å; E240-A244 PolarHBondContact O-N 2.73Å; A241-A244 PolarHBondContact O-N 3.32Å; E242-A244 VanDerWaalsContact C-N 3.32Å; E242-A244 PolarHBondContact O-N 3.18Å; A244-G248 PolarHBondContact O-N 2.81Å
245K92Very high88Confident150 Ų15087.9 Ų87.965%0.65249%0.494SS*.Hα-helixtrans-63.1-49.3173.3-76.6175.3-177.2176.70111.6A241 E242 L247 G248 Q249A241-K245 WeakPolarHBondContact O-CG 3.3Å; A241-K245 PolarHBondContact O-N 3.38Å; E242-K245 PolarHBondContact O-N 3.47Å; K245-L247 VanDerWaalsContact C-N 3.33Å; K245-L247 PolarHBondContact O-N 3.42Å; K245-G248 PolarHBondContact O-N 2.92Å; K245-Q249 WeakPolarHBondContact O-CG 3.4Å; K245-Q249 PolarHBondContact O-N 2.94Å
246M87.4Confident87Confident113 Ų11383.6 Ų83.656%0.55748%0.478SS*.Hα-helixtrans-60.1-44.2176.8-76.7-165.3-88.200111.5E242 A243 Q249 A250E242-M246 HydrophobicContact CG-CE 4.13Å; E242-M246 PolarHBondContact O-N 2.85Å; A243-M246 PolarHBondContact O-N 2.97Å; M246-Q249 PolarHBondContact O-N 3.11Å; M246-A250 WeakPolarHBondContact O-CB 3.24Å; M246-A250 PolarHBondContact O-N 2.9Å
247L84.3Confident86.1Confident56 Ų5683.3 Ų83.329%0.29347%0.473SS..Hα-helixtrans-67.9-38.4178.3-172.8129000112A243 K245 A250 V251 Y257 R261A243-L247 WeakPolarHBondContact O-CB 3.36Å; A243-L247 PolarHBondContact O-N 3.47Å; K245-L247 VanDerWaalsContact C-N 3.33Å; K245-L247 PolarHBondContact O-N 3.42Å; L247-A250 PolarHBondContact O-N 3.22Å; L247-V251 HydrophobicContact CD2-CG2 4.12Å; L247-V251 HydrophobicContact CG-CG2 4.49Å; L247-V251 WeakPolarHBondContact O-CB 3.45Å; L247-V251 VanDerWaalsContact O-CG2 3.24Å; L247-V251 WeakPolarHBondContact O-CG2 3.4Å; L247-V251 PolarHBondContact O-N 2.77Å; L247-Y257 HydrophobicContact CD1-CE1 4.24Å; L247-Y257 HydrophobicContact CG-CE1 4.5Å; L247-R261 VanDerWaalsContact CD1-NH1 3.34Å
248G84.3Confident85.3Confident30 Ų3085.4 Ų85.431%0.30948%0.476SS..Hα-helixtrans-59.1-47.1172.900000111.7A244 K245 A250 V251 T252A244-G248 PolarHBondContact O-N 2.81Å; K245-G248 PolarHBondContact O-N 2.92Å; G248-A250 VanDerWaalsContact C-N 3.35Å; G248-A250 PolarHBondContact O-N 2.94Å; G248-V251 WeakPolarHBondContact O-CB 3.29Å; G248-V251 PolarHBondContact O-N 3.02Å; G248-T252 PolarHBondContact O-N 3.4Å; G248-T252 PolarHBondContact O-OG1 2.75Å
249Q84.6Confident84.2Confident125 Ų12581.9 Ų81.958%0.58446%0.459SS*.Hα-helixtrans-61-41.5174.2-69.4176.41.800112.3K245 M246 T252 K253K245-Q249 WeakPolarHBondContact O-CG 3.4Å; K245-Q249 PolarHBondContact O-N 2.94Å; M246-Q249 PolarHBondContact O-N 3.11Å; Q249-T252 PolarHBondContact O-N 2.82Å; Q249-K253 WeakPolarHBondContact O-CG 3.29Å; Q249-K253 PolarHBondContact O-N 3.14Å
250A80.4Confident83.5Confident51 Ų5185 Ų8542%0.42147%0.466SS..Hα-helixtrans-65.2-38.8176.600000112.3M246 L247 G248 K253 N254M246-A250 WeakPolarHBondContact O-CB 3.24Å; M246-A250 PolarHBondContact O-N 2.9Å; L247-A250 PolarHBondContact O-N 3.22Å; G248-A250 VanDerWaalsContact C-N 3.35Å; G248-A250 PolarHBondContact O-N 2.94Å; A250-K253 PolarHBondContact O-N 3.12Å; A250-N254 PolarHBondContact O-N 2.94Å; A250-N254 VanDerWaalsContact O-N 3.15Å
251V79.8Confident82.9Confident22 Ų2285.7 Ų85.713%0.13346%0.463CS..Hα-helixtrans-64.8-45.3175.9159.70000111.7L247 G248 K253 N254 Y257 L258L247-V251 HydrophobicContact CD2-CG2 4.12Å; L247-V251 HydrophobicContact CG-CG2 4.49Å; L247-V251 WeakPolarHBondContact O-CB 3.45Å; L247-V251 VanDerWaalsContact O-CG2 3.24Å; L247-V251 WeakPolarHBondContact O-CG2 3.4Å; L247-V251 PolarHBondContact O-N 2.77Å; G248-V251 WeakPolarHBondContact O-CB 3.29Å; G248-V251 PolarHBondContact O-N 3.02Å; V251-K253 PolarHBondContact O-N 3.04Å; V251-N254 CarbonylContact O-C 3.56Å; V251-N254 PolarHBondContact O-N 2.82Å; V251-Y257 HydrophobicContact CG2-CD1 3.74Å; V251-Y257 HydrophobicContact CG2-CE1 4.29Å; V251-L258 HydrophobicContact CB-CG 4.43Å; V251-L258 HydrophobicContact CG1-CD1 3.42Å; V251-L258 VanDerWaalsContact CG1-CD1 3.42Å; V251-L258 HydrophobicContact CG1-CD2 3.82Å; V251-L258 HydrophobicContact CG1-CG 3.47Å; V251-L258 VanDerWaalsContact CG1-CG 3.47Å; V251-L258 HydrophobicContact CG2-CD2 3.91Å; V251-L258 HydrophobicContact CG2-CG 4.12Å
252T76.4Confident82.2Confident122 Ų12288 Ų8875%0.74846%0.461SS*.Hα-helixtrans-61.7-35.3177-53.60000111.6G248 Q249G248-T252 PolarHBondContact O-N 3.4Å; G248-T252 PolarHBondContact O-OG1 2.75Å; Q249-T252 PolarHBondContact O-N 2.82Å
253K80.9Confident81.7Confident178 Ų17885.3 Ų85.377%0.77445%0.45SS*.Hα-helixtrans-71.3-30176.6-72.2176.5-177.6-178.50113.5Q249 A250 V251Q249-K253 WeakPolarHBondContact O-CG 3.29Å; Q249-K253 PolarHBondContact O-N 3.14Å; A250-K253 PolarHBondContact O-N 3.12Å; V251-K253 PolarHBondContact O-N 3.04Å
254N79.4Confident81.4Confident94 Ų9491.1 Ų91.150%0.50346%0.461SS..  trans-137.596.8-179.6-170.1-20.5000112.2A250 V251 G256 Y257A250-N254 PolarHBondContact O-N 2.94Å; A250-N254 VanDerWaalsContact O-N 3.15Å; V251-N254 CarbonylContact O-C 3.56Å; V251-N254 PolarHBondContact O-N 2.82Å; N254-G256 PolarHBondContact O-N 2.99Å; N254-G256 VanDerWaalsContact O-N 3.1Å; N254-G256 WeakPolarHBondContact OD1-CA 3.11Å; N254-G256 PolarHBondContact OD1-N 2.93Å; N254-Y257 WeakPolarHBondContact O-CB 3.48Å; N254-Y257 PolarHBondContact O-N 2.84Å
255P72.1Confident81.4Confident65 Ų6590.3 Ų90.342%0.42246%0.455SS..Hα-helixtrans-64.4-16.2179.525.4-33.4000113.6Y257 F300P255-Y257 VanDerWaalsContact C-N 3.28Å; P255-Y257 PolarHBondContact O-N 2.86Å; P255-F300 HydrophobicContact CB-CE1 4.45Å
256G76.8Confident81.1Confident24 Ų2483.6 Ų83.625%0.24743%0.427CS..Hα-helixtrans-68.4-23.3173.100000113.9N254 K259 L260N254-G256 PolarHBondContact O-N 2.99Å; N254-G256 VanDerWaalsContact O-N 3.1Å; N254-G256 WeakPolarHBondContact OD1-CA 3.11Å; N254-G256 PolarHBondContact OD1-N 2.93Å; G256-K259 WeakPolarHBondContact O-CB 3.32Å; G256-K259 PolarHBondContact O-N 3.29Å; G256-L260 PolarHBondContact O-N 3.28Å
257Y76.9Confident81.1Confident105 Ų10584 Ų8441%0.41243%0.428SS..Hα-helixtrans-69-39.7-177.8-174.4-98.5000112.8L247 V251 N254 P255 K259 L260 R261L247-Y257 HydrophobicContact CD1-CE1 4.24Å; L247-Y257 HydrophobicContact CG-CE1 4.5Å; V251-Y257 HydrophobicContact CG2-CD1 3.74Å; V251-Y257 HydrophobicContact CG2-CE1 4.29Å; N254-Y257 WeakPolarHBondContact O-CB 3.48Å; N254-Y257 PolarHBondContact O-N 2.84Å; P255-Y257 VanDerWaalsContact C-N 3.28Å; P255-Y257 PolarHBondContact O-N 2.86Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K259 PolarHBondContact O-N 2.94Å; Y257-L260 PolarHBondContact O-N 2.72Å; Y257-R261 WeakPolarHBondContact O-CB 3.31Å; Y257-R261 PolarHBondContact O-N 2.83Å
258L78.3Confident81.2Confident98 Ų9886.4 Ų86.451%0.51344%0.441SS..Hα-helixtrans-62.4-36.7174.4-73.8174.4000112.1V251 R261 R262V251-L258 HydrophobicContact CB-CG 4.43Å; V251-L258 HydrophobicContact CG1-CD1 3.42Å; V251-L258 VanDerWaalsContact CG1-CD1 3.42Å; V251-L258 HydrophobicContact CG1-CD2 3.82Å; V251-L258 HydrophobicContact CG1-CG 3.47Å; V251-L258 VanDerWaalsContact CG1-CG 3.47Å; V251-L258 HydrophobicContact CG2-CD2 3.91Å; V251-L258 HydrophobicContact CG2-CG 4.12Å; L258-R261 PolarHBondContact O-N 3.4Å; L258-R262 WeakPolarHBondContact O-CB 3.45Å; L258-R262 PolarHBondContact O-N 3.49Å
259K75.2Confident81.3Confident45 Ų4587.8 Ų87.820%0.19644%0.44CS..Hα-helixtrans-62.6-51.1176.6-56.8-175113.5153.20111G256 Y257 R261 R262 I263 F296 F300G256-K259 WeakPolarHBondContact O-CB 3.32Å; G256-K259 PolarHBondContact O-N 3.29Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K259 PolarHBondContact O-N 2.94Å; K259-R261 VanDerWaalsContact C-N 3.29Å; K259-R261 PolarHBondContact O-N 3.47Å; K259-R262 PolarHBondContact O-N 2.82Å; K259-I263 WeakPolarHBondContact O-CG1 3.33Å; K259-I263 PolarHBondContact O-N 3Å; K259-F296 HydrophobicContact CB-CE2 4.3Å; K259-F296 HydrophobicContact CB-CZ 3.78Å; K259-F296 HydrophobicContact CD-CE1 4.43Å; K259-F296 HydrophobicContact CD-CE2 4.47Å; K259-F296 HydrophobicContact CD-CZ 3.84Å; K259-F296 HydrophobicContact CG-CE1 4.49Å; K259-F296 HydrophobicContact CG-CE2 3.79Å; K259-F296 HydrophobicContact CG-CZ 3.47Å; K259-F296 VanDerWaalsContact CG-CZ 3.47Å; K259-F300 HydrophobicContact CD-CD1 4.36Å; K259-F300 HydrophobicContact CD-CE1 3.4Å; K259-F300 HydrophobicContact CD-CE2 3.89Å; K259-F300 HydrophobicContact CD-CZ 3.15Å; K259-F300 VanDerWaalsContact CE-CE1 3.42Å; K259-F300 HydrophobicContact CG-CE1 4.11Å; K259-F300 HydrophobicContact CG-CE2 4.28Å; K259-F300 HydrophobicContact CG-CZ 3.49Å; K259-F300 VanDerWaalsContact CG-CZ 3.49Å
260L81.5Confident81.3Confident105 Ų10584 Ų8455%0.5543%0.431SS..Hα-helixtrans-60.5-40.1178-78163.1000111.7G256 Y257 I263 R264G256-L260 PolarHBondContact O-N 3.28Å; Y257-L260 PolarHBondContact O-N 2.72Å; L260-I263 PolarHBondContact O-N 3.01Å; L260-R264 WeakPolarHBondContact O-CG 3.3Å; L260-R264 PolarHBondContact O-N 3.09Å
261R81Confident81.6Confident129 Ų12989.1 Ų89.149%0.48744%0.443SS..Hα-helixtrans-67.9-38.4178.2-161.8171.1-176.6-1781.8112.3L247 Y257 L258 K259 R264 A265L247-R261 VanDerWaalsContact CD1-NH1 3.34Å; Y257-R261 WeakPolarHBondContact O-CB 3.31Å; Y257-R261 PolarHBondContact O-N 2.83Å; L258-R261 PolarHBondContact O-N 3.4Å; K259-R261 VanDerWaalsContact C-N 3.29Å; K259-R261 PolarHBondContact O-N 3.47Å; R261-R264 PolarHBondContact O-N 3.36Å; R261-A265 WeakPolarHBondContact O-CB 3.29Å; R261-A265 PolarHBondContact O-N 2.68Å
262R80.3Confident81.9Confident99 Ų9992.8 Ų92.837%0.37447%0.466SS..Hα-helixtrans-64.5-42.4173.8-169.3173.7179.1158.8-3.5111.7L258 K259 A265 A266 V288L258-R262 WeakPolarHBondContact O-CB 3.45Å; L258-R262 PolarHBondContact O-N 3.49Å; K259-R262 PolarHBondContact O-N 2.82Å; R262-A265 PolarHBondContact O-N 2.96Å; R262-A266 WeakPolarHBondContact O-CB 3.33Å; R262-A266 PolarHBondContact O-N 2.75Å; R262-V288 HydrophobicContact CG-CG1 4.2Å; R262-V288 VanDerWaalsContact NE-CG1 3.32Å
263I84.5Confident82.2Confident67 Ų6790.4 Ų90.434%0.34445%0.451SS..Hα-helixtrans-62.2-45.4174.9-66.1166.1000110.8K259 L260 A266 Q267 L291K259-I263 WeakPolarHBondContact O-CG1 3.33Å; K259-I263 PolarHBondContact O-N 3Å; L260-I263 PolarHBondContact O-N 3.01Å; I263-A266 PolarHBondContact O-N 2.91Å; I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 2.8Å; I263-L291 HydrophobicContact CG1-CD1 4.34Å; I263-L291 HydrophobicContact CG1-CD2 4.24Å
264R85.3Confident82.3Confident174 Ų17487 Ų8766%0.65745%0.45SS*.Hα-helixtrans-65.1-38.8176.8-74.7-171.1-178.6176.61.4112.7L260 R261 Q267 N268L260-R264 WeakPolarHBondContact O-CG 3.3Å; L260-R264 PolarHBondContact O-N 3.09Å; R261-R264 PolarHBondContact O-N 3.36Å; R264-Q267 PolarHBondContact O-N 3.38Å; R264-N268 WeakPolarHBondContact O-CB 3.4Å; R264-N268 VanDerWaalsContact O-CG 3.31Å; R264-N268 PolarHBondContact O-N 3.5Å
265A87.4Confident82.5Confident45 Ų4586.5 Ų86.537%0.37246%0.459SS..Hα-helixtrans-62.3-45.8174.200000111R261 R262 Q267 N268 I269R261-A265 WeakPolarHBondContact O-CB 3.29Å; R261-A265 PolarHBondContact O-N 2.68Å; R262-A265 PolarHBondContact O-N 2.96Å; A265-Q267 PolarHBondContact O-N 2.85Å; A265-N268 PolarHBondContact O-N 3.44Å; A265-I269 WeakPolarHBondContact O-CB 3.19Å; A265-I269 VanDerWaalsContact O-CG1 3.24Å; A265-I269 WeakPolarHBondContact O-CG1 3.29Å; A265-I269 PolarHBondContact O-N 3.46Å
266A85.9Confident82.9Confident9 Ų986.4 Ų86.47%0.07446%0.459CS..Hα-helixtrans-60.2-43.3174.600000112.1R262 I263 N268 I269 A270 L289 L291R262-A266 WeakPolarHBondContact O-CB 3.33Å; R262-A266 PolarHBondContact O-N 2.75Å; I263-A266 PolarHBondContact O-N 2.91Å; A266-N268 PolarHBondContact O-N 2.88Å; A266-I269 PolarHBondContact O-N 3.23Å; A266-A270 VanDerWaalsContact O-CB 3.25Å; A266-A270 WeakPolarHBondContact O-CB 3.38Å; A266-A270 PolarHBondContact O-N 3.34Å; A266-L289 HydrophobicContact CB-CD2 3.89Å; A266-L289 WeakPolarHBondContact O-CD2 3.39Å; A266-L291 HydrophobicContact CB-CD2 4.35Å
267Q87.6Confident82.8Confident122 Ų12294.3 Ų94.357%0.5749%0.49SS*.Hα-helixtrans-60.6-43.5174.4-77.1-179.3-39.200112.4I263 R264 A265 A270 K271I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 2.8Å; R264-Q267 PolarHBondContact O-N 3.38Å; A265-Q267 PolarHBondContact O-N 2.85Å; Q267-A270 PolarHBondContact O-N 2.85Å; Q267-K271 WeakPolarHBondContact O-CB 3.38Å; Q267-K271 PolarHBondContact O-N 2.9Å
268N87.6Confident82.8Confident106 Ų10695.6 Ų95.657%0.56750%0.504SS*.Hα-helixtrans-66.8-45.8178.8-74-15.9000111.6R264 A265 A266 A270 K271 T272R264-N268 WeakPolarHBondContact O-CB 3.4Å; R264-N268 VanDerWaalsContact O-CG 3.31Å; R264-N268 PolarHBondContact O-N 3.5Å; A265-N268 PolarHBondContact O-N 3.44Å; A266-N268 PolarHBondContact O-N 2.88Å; N268-A270 VanDerWaalsContact C-N 3.34Å; N268-A270 PolarHBondContact O-N 2.94Å; N268-K271 PolarHBondContact O-N 2.8Å; N268-T272 PolarHBondContact O-N 3.39Å; N268-T272 PolarHBondContact O-OG1 2.86Å; N268-T272 VanDerWaalsContact O-OG1 3.08Å
269I85.2Confident82.2Confident58 Ų58100.4 Ų100.430%0.29752%0.52SS..Hα-helixtrans-59.2-47.3175.5-67.3164.9000109.8A265 A266 K271 T272 V273 L287 L289A265-I269 WeakPolarHBondContact O-CB 3.19Å; A265-I269 VanDerWaalsContact O-CG1 3.24Å; A265-I269 WeakPolarHBondContact O-CG1 3.29Å; A265-I269 PolarHBondContact O-N 3.46Å; A266-I269 PolarHBondContact O-N 3.23Å; I269-K271 VanDerWaalsContact C-N 3.3Å; I269-K271 PolarHBondContact O-N 3.42Å; I269-T272 PolarHBondContact O-N 2.87Å; I269-V273 HydrophobicContact CG2-CG2 4.16Å; I269-V273 WeakPolarHBondContact O-CB 3.31Å; I269-V273 VanDerWaalsContact O-CG2 3.24Å; I269-V273 WeakPolarHBondContact O-CG2 3.32Å; I269-V273 PolarHBondContact O-N 3.45Å; I269-L287 HydrophobicContact CG2-CB 4.38Å; I269-L287 HydrophobicContact CG2-CD2 4.1Å; I269-L289 HydrophobicContact CB-CD2 4.36Å; I269-L289 HydrophobicContact CG2-CD2 4.24Å
270A84.3Confident81.8Confident46 Ų46103 Ų10338%0.3854%0.54SS..Hα-helixtrans-58.8-40.8176.900000112.2A266 Q267 N268 S274 L289A266-A270 VanDerWaalsContact O-CB 3.25Å; A266-A270 WeakPolarHBondContact O-CB 3.38Å; A266-A270 PolarHBondContact O-N 3.34Å; Q267-A270 PolarHBondContact O-N 2.85Å; N268-A270 VanDerWaalsContact C-N 3.34Å; N268-A270 PolarHBondContact O-N 2.94Å; A270-S274 VanDerWaalsContact O-CB 3.28Å; A270-S274 WeakPolarHBondContact O-CB 3.48Å; A270-S274 PolarHBondContact O-N 2.85Å; A270-L289 HydrophobicContact CB-CD2 4.38Å
271K87.1Confident81.3Confident159 Ų159108.9 Ų108.969%0.69156%0.556SS**Hα-helixtrans-65.4-43.5176.2-168.9176.7-177.4179.60112Q267 N268 I269 A275Q267-K271 WeakPolarHBondContact O-CB 3.38Å; Q267-K271 PolarHBondContact O-N 2.9Å; N268-K271 PolarHBondContact O-N 2.8Å; I269-K271 VanDerWaalsContact C-N 3.3Å; I269-K271 PolarHBondContact O-N 3.42Å; K271-A275 WeakPolarHBondContact O-CB 3.26Å; K271-A275 PolarHBondContact O-N 2.88Å; K271-A275 VanDerWaalsContact O-N 3.14Å
272T85.4Confident80.8Confident99 Ų99107.4 Ų107.461%0.60756%0.558SS**Hα-helixtrans-66.3-41.4177.2-55.10000111.7N268 I269 A275 S276N268-T272 PolarHBondContact O-N 3.39Å; N268-T272 PolarHBondContact O-OG1 2.86Å; N268-T272 VanDerWaalsContact O-OG1 3.08Å; I269-T272 PolarHBondContact O-N 2.87Å; T272-A275 PolarHBondContact O-N 3.44Å; T272-S276 PolarHBondContact O-N 3.45Å
273V82.8Confident80.6Confident72 Ų72107.5 Ų107.544%0.43657%0.566SS.*Hα-helixtrans-65.7-43176.7172.50000111.1I269 A275 S276I269-V273 HydrophobicContact CG2-CG2 4.16Å; I269-V273 WeakPolarHBondContact O-CB 3.31Å; I269-V273 VanDerWaalsContact O-CG2 3.24Å; I269-V273 WeakPolarHBondContact O-CG2 3.32Å; I269-V273 PolarHBondContact O-N 3.45Å; V273-A275 PolarHBondContact O-N 3.43Å; V273-S276 PolarHBondContact O-N 2.81Å
274S82.9Confident80Confident106 Ų106106.7 Ų106.774%0.74157%0.569SS**Hα-helixtrans-63-29.4176-178.90000113.3A270A270-S274 VanDerWaalsContact O-CB 3.28Å; A270-S274 WeakPolarHBondContact O-CB 3.48Å; A270-S274 PolarHBondContact O-N 2.85Å
275A84.1Confident79.3Confident84 Ų84103 Ų10369%0.69456%0.563SS**Hα-helixtrans-88.9-17.9-18000000113.3K271 T272 V273K271-A275 WeakPolarHBondContact O-CB 3.26Å; K271-A275 PolarHBondContact O-N 2.88Å; K271-A275 VanDerWaalsContact O-N 3.14Å; T272-A275 PolarHBondContact O-N 3.44Å; V273-A275 PolarHBondContact O-N 3.43Å
276S81.1Confident78.6Confident62 Ų62104.9 Ų104.943%0.43457%0.573SS.*  trans-74.6133.2-178.9107.30000110.7T272 V273 N278T272-S276 PolarHBondContact O-N 3.45Å; V273-S276 PolarHBondContact O-N 2.81Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact OG-O 2.84Å
277Q74.6Confident77.9Confident190 Ų190106.2 Ų106.289%0.88858%0.578SS**SBendtrans-75.9-19.1179-67.8-172.3-11.200113.7K279Q277-K279 PolarHBondContact O-N 2.91Å
278N75.9Confident77.1Confident132 Ų132103.6 Ų103.671%0.70657%0.57SS**SBendtrans-85111.3179.1-83.2-1.9000111S276 V280S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact OG-O 2.84Å; N278-V280 PolarHBondContact O-N 2.87Å; N278-V280 VanDerWaalsContact O-N 3.08Å
279K66.6Low76.5Confident199 Ų199101 Ų10187%0.86556%0.557SS**  trans-79.187.3174.5-66.8-179.4-177.9179.50110.2Q277Q277-K279 PolarHBondContact O-N 2.91Å
280V66.8Low76Confident100 Ų100101 Ų10161%0.60656%0.557SS**  trans-98.2121169.4-174.30000108.1N278 L282N278-V280 PolarHBondContact O-N 2.87Å; N278-V280 VanDerWaalsContact O-N 3.08Å; V280-L282 HydrophobicContact CB-CG 4.34Å; V280-L282 HydrophobicContact CG1-CD2 3.73Å; V280-L282 HydrophobicContact CG1-CG 3.91Å; V280-L282 PolarHBondContact O-N 3.4Å
281Y70.4Confident75.4Confident228 Ų228102.1 Ų102.189%0.89456%0.556SS**  trans-72.597.2173.6-65-81.5000108.8
282L72Confident74.4Confident99 Ų99102.6 Ų102.652%0.51856%0.561SS.*  trans-101.9139.9175-63174.7000108.9V280 L287V280-L282 HydrophobicContact CB-CG 4.34Å; V280-L282 HydrophobicContact CG1-CD2 3.73Å; V280-L282 HydrophobicContact CG1-CG 3.91Å; V280-L282 PolarHBondContact O-N 3.4Å; L282-L287 HydrophobicContact CB-CD1 3.75Å; L282-L287 HydrophobicContact CB-CG 4.23Å; L282-L287 HydrophobicContact CD1-CD1 4.18Å; L282-L287 HydrophobicContact CD1-CD2 4.17Å; L282-L287 HydrophobicContact CD1-CG 4.49Å
283N75.8Confident73.5Confident101 Ų101101.1 Ų101.154%0.5455%0.549SS..  trans-65.4135.8177.2-170.1-30.2000110D285 S286 L287N283-D285 PolarHBondContact O-N 3.43Å; N283-D285 PolarHBondContact OD1-N 2.81Å; N283-S286 PolarHBondContact O-N 3.22Å; N283-S286 VanDerWaalsContact O-N 3.14Å; N283-S286 PolarHBondContact O-OG 3.04Å; N283-L287 PolarHBondContact O-N 3.28Å
284A70.8Confident72.3Confident50 Ų50104.9 Ų104.941%0.41356%0.562SS.*THydrogen-bonded Turntrans-61.1-27.8179.400000112.9V288 L289A284-V288 PolarHBondContact O-N 2.76Å; A284-L289 PolarHBondContact O-N 3.03Å
285D70.8Confident71.3Confident97 Ų97104.4 Ų104.452%0.51956%0.555SS.*THydrogen-bonded Turntrans-72.8-35.3176.9-66.2-35.1000112N283 L287 V288 N290N283-D285 PolarHBondContact O-N 3.43Å; N283-D285 PolarHBondContact OD1-N 2.81Å; D285-L287 VanDerWaalsContact C-N 3.27Å; D285-L287 PolarHBondContact O-N 3.34Å; D285-V288 PolarHBondContact O-N 2.89Å; D285-N290 VanDerWaalsContact OD1-CB 3.23Å; D285-N290 WeakPolarHBondContact OD1-CB 3.33Å; D285-N290 PolarHBondContact OD1-ND2 2.99Å
286S73Confident70.2Confident83 Ų83102.1 Ų102.158%0.5853%0.529SS*.THydrogen-bonded Turntrans-71.9-24177.268.30000112.8N283N283-S286 PolarHBondContact O-N 3.22Å; N283-S286 VanDerWaalsContact O-N 3.14Å; N283-S286 PolarHBondContact O-OG 3.04Å
287L71.3Confident69.1Low37 Ų37104.8 Ų104.819%0.19453%0.533CS..THydrogen-bonded Turntrans-92.13.4176.5-68.8172.6000113.6I269 L282 N283 D285 L289I269-L287 HydrophobicContact CG2-CB 4.38Å; I269-L287 HydrophobicContact CG2-CD2 4.1Å; L282-L287 HydrophobicContact CB-CD1 3.75Å; L282-L287 HydrophobicContact CB-CG 4.23Å; L282-L287 HydrophobicContact CD1-CD1 4.18Å; L282-L287 HydrophobicContact CD1-CD2 4.17Å; L282-L287 HydrophobicContact CD1-CG 4.49Å; N283-L287 PolarHBondContact O-N 3.28Å; D285-L287 VanDerWaalsContact C-N 3.27Å; D285-L287 PolarHBondContact O-N 3.34Å; L287-L289 HydrophobicContact CB-CD1 3.64Å; L287-L289 HydrophobicContact CB-CG 3.69Å; L287-L289 HydrophobicContact CD1-CD1 3.81Å; L287-L289 HydrophobicContact CG-CD1 4.4Å; L287-L289 PolarHBondContact O-N 3.39Å; L287-L289 VanDerWaalsContact O-N 3.11Å
288V71.2Confident68.3Low67 Ų67100.7 Ų100.741%0.40652%0.517SS..THydrogen-bonded Turntrans58.924-179.4-159.10000112R262 A284 D285R262-V288 HydrophobicContact CG-CG1 4.2Å; R262-V288 VanDerWaalsContact NE-CG1 3.32Å; A284-V288 PolarHBondContact O-N 2.76Å; D285-V288 PolarHBondContact O-N 2.89Å
289L74.3Confident67.4Low53 Ų5397.6 Ų97.628%0.27751%0.506SS..  trans-84.1-16.9-178.6-66.4172.2000112.1A266 I269 A270 A284 L287 L291A266-L289 HydrophobicContact CB-CD2 3.89Å; A266-L289 WeakPolarHBondContact O-CD2 3.39Å; I269-L289 HydrophobicContact CB-CD2 4.36Å; I269-L289 HydrophobicContact CG2-CD2 4.24Å; A270-L289 HydrophobicContact CB-CD2 4.38Å; A284-L289 PolarHBondContact O-N 3.03Å; L287-L289 HydrophobicContact CB-CD1 3.64Å; L287-L289 HydrophobicContact CB-CG 3.69Å; L287-L289 HydrophobicContact CD1-CD1 3.81Å; L287-L289 HydrophobicContact CG-CD1 4.4Å; L287-L289 PolarHBondContact O-N 3.39Å; L287-L289 VanDerWaalsContact O-N 3.11Å; L289-L291 PolarHBondContact O-N 2.64Å; L289-L291 VanDerWaalsContact O-N 3.07Å
290N75Confident66.6Low58 Ų5890.3 Ų90.331%0.3148%0.475SS..  trans-74.597.3176.2-168-7.7000110.6D285 Q292D285-N290 VanDerWaalsContact OD1-CB 3.23Å; D285-N290 WeakPolarHBondContact OD1-CB 3.33Å; D285-N290 PolarHBondContact OD1-ND2 2.99Å; N290-Q292 PolarHBondContact OD1-N 3.13Å
291L70.8Confident65.9Low69 Ų6988.5 Ų88.536%0.36147%0.467SS..  trans-88.3-2.6179.2-59.5175.2000113I263 A266 L289I263-L291 HydrophobicContact CG1-CD1 4.34Å; I263-L291 HydrophobicContact CG1-CD2 4.24Å; A266-L291 HydrophobicContact CB-CD2 4.35Å; L289-L291 PolarHBondContact O-N 2.64Å; L289-L291 VanDerWaalsContact O-N 3.07Å
292Q66.9Low65Low168 Ų16882.7 Ų82.779%0.78546%0.455SS*.  trans-99.4-0.4-173.3-67.8-174.9-7.100114.3N290 Q294N290-Q292 PolarHBondContact OD1-N 3.13Å; Q292-Q294 PolarHBondContact O-N 2.95Å
293D66.9Low63.9Low69 Ų6982.5 Ų82.537%0.36946%0.458SS..  trans-59.7128.5-176.3-167.9-2.5000112.3T295 F296D293-T295 PolarHBondContact O-N 3.17Å; D293-T295 PolarHBondContact OD1-N 3.44Å; D293-T295 PolarHBondContact OD1-OG1 3.07Å; D293-T295 PolarHBondContact OD2-OG1 3.47Å; D293-F296 VanDerWaalsContact O-CB 3.31Å; D293-F296 WeakPolarHBondContact O-CB 3.38Å; D293-F296 PolarHBondContact O-N 3.29Å; D293-F296 VanDerWaalsContact O-N 3.1Å
294Q58.2Low62.4Low151 Ų15184.7 Ų84.771%0.70647%0.468SS*.Hα-helixtrans-65.9-25-175.9-73.6176.22.700112.6Q292 F296 F297 N298Q292-Q294 PolarHBondContact O-N 2.95Å; Q294-F296 PolarHBondContact O-N 2.88Å; Q294-F297 PolarHBondContact O-N 3.45Å; Q294-N298 WeakPolarHBondContact O-CB 3.43Å; Q294-N298 PolarHBondContact O-N 3.28Å; Q294-N298 PolarHBondContact O-ND2 3.28Å
295T61.6Low61.1Low96 Ų9691.2 Ų91.259%0.58949%0.487SS*.Hα-helixtrans-62.2-33.5173.962.60000112D293 S299D293-T295 PolarHBondContact O-N 3.17Å; D293-T295 PolarHBondContact OD1-N 3.44Å; D293-T295 PolarHBondContact OD1-OG1 3.07Å; D293-T295 PolarHBondContact OD2-OG1 3.47Å; T295-S299 PolarHBondContact O-N 2.79Å
296F59.6Low59.4Low36 Ų3698.6 Ų98.616%0.15852%0.515CS..Hα-helixtrans-70.2-36.2176.9174.7-104.8000112.1K259 D293 Q294 S299 F300K259-F296 HydrophobicContact CB-CE2 4.3Å; K259-F296 HydrophobicContact CB-CZ 3.78Å; K259-F296 HydrophobicContact CD-CE1 4.43Å; K259-F296 HydrophobicContact CD-CE2 4.47Å; K259-F296 HydrophobicContact CD-CZ 3.84Å; K259-F296 HydrophobicContact CG-CE1 4.49Å; K259-F296 HydrophobicContact CG-CE2 3.79Å; K259-F296 HydrophobicContact CG-CZ 3.47Å; K259-F296 VanDerWaalsContact CG-CZ 3.47Å; D293-F296 VanDerWaalsContact O-CB 3.31Å; D293-F296 WeakPolarHBondContact O-CB 3.38Å; D293-F296 PolarHBondContact O-N 3.29Å; D293-F296 VanDerWaalsContact O-N 3.1Å; Q294-F296 PolarHBondContact O-N 2.88Å; F296-S299 PolarHBondContact O-OG 2.77Å; F296-S299 VanDerWaalsContact O-OG 3.11Å; F296-F300 HydrophobicContact CE2-CE2 4.45Å; F296-F300 WeakPolarHBondContact O-CD2 3.24Å; F296-F300 WeakPolarHBondContact O-CE2 3.15Å
297F58.5Low58.7Low117 Ų11799.4 Ų99.451%0.51351%0.512SS..Hα-helixtrans-82-32.5178.5-71.2-83000112.9Q294 S299 F300Q294-F297 PolarHBondContact O-N 3.45Å; F297-S299 PolarHBondContact O-N 2.96Å; F297-F300 WeakPolarHBondContact O-CB 3.37Å; F297-F300 PolarHBondContact O-N 2.95Å
298N57.6Low58.1Low104 Ų104102.7 Ų102.756%0.55653%0.529SS*.Hα-helixtrans-70.4-28.4-179.2-78.1-21.1000114.1Q294 F300 S301Q294-N298 WeakPolarHBondContact O-CB 3.43Å; Q294-N298 PolarHBondContact O-N 3.28Å; Q294-N298 PolarHBondContact O-ND2 3.28Å; N298-F300 PolarHBondContact O-N 3.19Å; N298-F300 VanDerWaalsContact O-N 3.16Å; N298-S301 PolarHBondContact O-N 3.44Å; N298-S301 PolarHBondContact O-OG 3.47Å; N298-S301 VanDerWaalsContact O-OG 3.06Å
299S56.4Low57.3Low67 Ų67104.7 Ų104.747%0.46954%0.535SS..Hα-helixtrans-64.8-14.5172.658.60000113.9T295 F296 F297T295-S299 PolarHBondContact O-N 2.79Å; F296-S299 PolarHBondContact O-OG 2.77Å; F296-S299 VanDerWaalsContact O-OG 3.11Å; F297-S299 PolarHBondContact O-N 2.96Å
300F50.8Low56.3Low47 Ų47107.7 Ų107.721%0.20655%0.551CS.*Hα-helixtrans-84.5-29.6178.7-73.7-90.1000113.9P255 K259 F296 F297 N298 L304P255-F300 HydrophobicContact CB-CE1 4.45Å; K259-F300 HydrophobicContact CD-CD1 4.36Å; K259-F300 HydrophobicContact CD-CE1 3.4Å; K259-F300 HydrophobicContact CD-CE2 3.89Å; K259-F300 HydrophobicContact CD-CZ 3.15Å; K259-F300 VanDerWaalsContact CE-CE1 3.42Å; K259-F300 HydrophobicContact CG-CE1 4.11Å; K259-F300 HydrophobicContact CG-CE2 4.28Å; K259-F300 HydrophobicContact CG-CZ 3.49Å; K259-F300 VanDerWaalsContact CG-CZ 3.49Å; F296-F300 HydrophobicContact CE2-CE2 4.45Å; F296-F300 WeakPolarHBondContact O-CD2 3.24Å; F296-F300 WeakPolarHBondContact O-CE2 3.15Å; F297-F300 WeakPolarHBondContact O-CB 3.37Å; F297-F300 PolarHBondContact O-N 2.95Å; N298-F300 PolarHBondContact O-N 3.19Å; N298-F300 VanDerWaalsContact O-N 3.16Å; F300-L304 PolarHBondContact O-N 3.42Å
301S51.9Low55.2Low62 Ų62110.8 Ų110.843%0.43457%0.566SS.*Hα-helixtrans-77.3-25-176.961.70000112.6N298N298-S301 PolarHBondContact O-N 3.44Å; N298-S301 PolarHBondContact O-OG 3.47Å; N298-S301 VanDerWaalsContact O-OG 3.06Å
302T51Low54.1Low105 Ų105113.6 Ų113.664%0.64458%0.579SS**Hα-helixtrans-77.5-32.1178-45.50000112.9
303V49.3Very low53.2Low96 Ų96109.7 Ų109.758%0.58256%0.564SS**Hα-helixtrans-81.4-27.5178.6-179.50000112.2K305V303-K305 VanDerWaalsContact C-N 3.28Å; V303-K305 PolarHBondContact O-N 3Å
304L44.3Very low52.2Low146 Ų146112.8 Ų112.876%0.76458%0.579SS**THydrogen-bonded Turntrans-82.4-1.1175.1-73.2167000113.8F300F300-L304 PolarHBondContact O-N 3.42Å
305K43.1Very low51.7Low187 Ų187109.7 Ų109.781%0.81357%0.569SS**THydrogen-bonded Turntrans-108.37.9179.2-87.8-170.7174.8-175.40114.5V303V303-K305 VanDerWaalsContact C-N 3.28Å; V303-K305 PolarHBondContact O-N 3Å
306K35.9Very low50.8Low253 Ų253110.9 Ų110.9100%1.157%0.567SS**  trans-122.90165.7-97.3-171.1174.6-174.80108.9

Retrieved 306 of 306 residues in 474.6 ms (Link to these results)