A0A5K4FA47_SCHMA Loading...

Ala_racemase_N domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FA47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 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
1M41.5Very low79.9Confident229 Ų22988.4 Ų88.4100%1.12845%0.452SS*.  0124.90-88.5-167.6-84.800107.1
2P56Low80.8Confident111 Ų11184.4 Ų84.472%0.72144%0.435SS*.  trans-57.5145.9173.925.9-31.9000109N4P2-N4 PolarHBondContact O-N 2.68Å
3I64.8Low81.4Confident44 Ų4485.5 Ų85.523%0.22644%0.437CS..  trans-68.1117.2-173-71.4177.3000109.4L5 S39 E42 A43I3-L5 HydrophobicContact CG2-CB 3.42Å; I3-L5 VanDerWaalsContact CG2-CB 3.42Å; I3-L5 PolarHBondContact O-N 2.86Å; I3-S39 WeakPolarHBondContact CD1-O 3.42Å; I3-E42 HydrophobicContact CD1-CB 3.84Å; I3-E42 HydrophobicContact CD1-CG 3.97Å; I3-E42 HydrophobicContact CG1-CG 4.44Å; I3-E42 PolarHBondContact N-OE1 2.98Å; I3-A43 HydrophobicContact CD1-CB 3.65Å; I3-A43 HydrophobicContact CG2-CB 4.4Å
4N85.9Confident82.1Confident95 Ų9587.4 Ų87.451%0.50844%0.443SS..  trans-80.536177.8-160.615000112.4P2 H7 I8P2-N4 PolarHBondContact O-N 2.68Å; N4-H7 VanDerWaalsContact CG-CB 3.41Å; N4-H7 WeakPolarHBondContact ND2-CB 3.13Å; N4-H7 PolarHBondContact ND2-CD2 3.32Å; N4-H7 PolarHBondContact O-N 3.14Å; N4-H7 WeakPolarHBondContact OD1-CB 3.33Å; N4-I8 WeakPolarHBondContact O-CG1 3.09Å; N4-I8 PolarHBondContact O-N 2.92Å; N4-I8 VanDerWaalsContact O-N 3.09Å
5L87.7Confident82.6Confident6 Ų685.8 Ų85.83%0.03145%0.448CS..Hα-helixtrans-61.9-42.9-174.3179.867.1000112.6I3 H7 I8 L9 L28 F46 Q48I3-L5 HydrophobicContact CG2-CB 3.42Å; I3-L5 VanDerWaalsContact CG2-CB 3.42Å; I3-L5 PolarHBondContact O-N 2.86Å; L5-H7 VanDerWaalsContact C-N 3.25Å; L5-H7 PolarHBondContact O-N 3.25Å; L5-I8 PolarHBondContact O-N 3.48Å; L5-L9 HydrophobicContact CD1-CD1 4.17Å; L5-L9 HydrophobicContact CD1-CD2 4.45Å; L5-L9 HydrophobicContact CD1-CG 3.97Å; L5-L9 HydrophobicContact CD2-CD1 4.4Å; L5-L9 HydrophobicContact CG-CD1 3.83Å; L5-L9 HydrophobicContact CG-CG 4.12Å; L5-L9 WeakPolarHBondContact O-CB 3.23Å; L5-L9 WeakPolarHBondContact O-CG 3.14Å; L5-L9 PolarHBondContact O-N 2.81Å; L5-L28 HydrophobicContact CD1-CD2 3.45Å; L5-L28 VanDerWaalsContact CD1-CD2 3.45Å; L5-F46 HydrophobicContact CD2-CB 3.73Å; L5-Q48 HydrophobicContact CD2-CB 3.78Å
6P87.4Confident83Confident63 Ų6381.9 Ų81.941%0.40943%0.431SS..Hα-helixtrans-59.7-35.5177.5-26.135.9000113.4R10 F46P6-R10 PolarHBondContact O-N 2.95Å; P6-R10 VanDerWaalsContact O-N 3.14Å; P6-F46 HydrophobicContact CG-CD1 4.4Å
7H91.4Very high83.2Confident68 Ų6884.8 Ų84.832%0.31544%0.439SS..Hα-helixtrans-70.4-44.6175.8178.985.1000112N4 L5 L9 R10 Q11N4-H7 VanDerWaalsContact CG-CB 3.41Å; N4-H7 WeakPolarHBondContact ND2-CB 3.13Å; N4-H7 PolarHBondContact ND2-CD2 3.32Å; N4-H7 PolarHBondContact O-N 3.14Å; N4-H7 WeakPolarHBondContact OD1-CB 3.33Å; L5-H7 VanDerWaalsContact C-N 3.25Å; L5-H7 PolarHBondContact O-N 3.25Å; H7-L9 VanDerWaalsContact C-N 3.34Å; H7-L9 PolarHBondContact O-N 3.41Å; H7-R10 PolarHBondContact ND1-NH1 3.4Å; H7-R10 WeakPolarHBondContact O-CB 3.11Å; H7-R10 PolarHBondContact O-N 3.15Å; H7-Q11 PolarHBondContact NE2-NE2 3.49Å; H7-Q11 WeakPolarHBondContact O-CG 3.34Å; H7-Q11 PolarHBondContact O-N 3.44Å
8I92.2Very high83.4Confident68 Ų6884.9 Ų84.935%0.34945%0.454SS..Hα-helixtrans-61.9-44.1177.9-65.7167.4000110.4N4 L5 R10 Q11 V12 L28N4-I8 WeakPolarHBondContact O-CG1 3.09Å; N4-I8 PolarHBondContact O-N 2.92Å; N4-I8 VanDerWaalsContact O-N 3.09Å; L5-I8 PolarHBondContact O-N 3.48Å; I8-R10 VanDerWaalsContact C-N 3.3Å; I8-R10 PolarHBondContact O-N 2.96Å; I8-Q11 PolarHBondContact O-N 3.09Å; I8-V12 HydrophobicContact CG2-CG2 4.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.28Å; I8-V12 PolarHBondContact O-N 3.18Å; I8-L28 HydrophobicContact CG2-CD1 3.95Å; I8-L28 HydrophobicContact CG2-CD2 3.83Å
9L89.3Confident83.4Confident72 Ų7282.7 Ų82.738%0.37745%0.446SS..Hα-helixtrans-59.7-41.5176.7-72.4172.5000111.7L5 H7 V12 E13 L28L5-L9 HydrophobicContact CD1-CD1 4.17Å; L5-L9 HydrophobicContact CD1-CD2 4.45Å; L5-L9 HydrophobicContact CD1-CG 3.97Å; L5-L9 HydrophobicContact CD2-CD1 4.4Å; L5-L9 HydrophobicContact CG-CD1 3.83Å; L5-L9 HydrophobicContact CG-CG 4.12Å; L5-L9 WeakPolarHBondContact O-CB 3.23Å; L5-L9 WeakPolarHBondContact O-CG 3.14Å; L5-L9 PolarHBondContact O-N 2.81Å; H7-L9 VanDerWaalsContact C-N 3.34Å; H7-L9 PolarHBondContact O-N 3.41Å; L9-V12 PolarHBondContact O-N 2.76Å; L9-E13 WeakPolarHBondContact O-CB 3.49Å; L9-E13 PolarHBondContact O-N 3.46Å; L9-L28 HydrophobicContact CD2-CB 4.34Å; L9-L28 HydrophobicContact CD2-CD2 3.71Å; L9-L28 HydrophobicContact CG-CD2 4.24Å
10R90.6Very high83.1Confident116 Ų11684.4 Ų84.444%0.43846%0.461SS..Hα-helixtrans-61.8-45.7174.7-167.1-168.8-53.7104.94.8111.9P6 H7 I8 V12 E13 E14P6-R10 PolarHBondContact O-N 2.95Å; P6-R10 VanDerWaalsContact O-N 3.14Å; H7-R10 PolarHBondContact ND1-NH1 3.4Å; H7-R10 WeakPolarHBondContact O-CB 3.11Å; H7-R10 PolarHBondContact O-N 3.15Å; I8-R10 VanDerWaalsContact C-N 3.3Å; I8-R10 PolarHBondContact O-N 2.96Å; R10-V12 VanDerWaalsContact C-N 3.32Å; R10-V12 PolarHBondContact O-N 3.17Å; R10-E13 PolarHBondContact O-N 2.92Å; R10-E14 WeakPolarHBondContact CD-OE1 3.26Å; R10-E14 HydrophobicContact CG-CG 4.43Å; R10-E14 WeakPolarHBondContact CG-OE1 3.19Å; R10-E14 WeakPolarHBondContact O-CB 3.39Å; R10-E14 WeakPolarHBondContact O-CG 3.14Å; R10-E14 PolarHBondContact O-N 2.85Å
11Q92Very high82.6Confident100 Ų10089 Ų8947%0.46747%0.473SS..Hα-helixtrans-61.4-41.4177.8-71.8-179.8-46.500111.9H7 I8 E14 A15H7-Q11 PolarHBondContact NE2-NE2 3.49Å; H7-Q11 WeakPolarHBondContact O-CG 3.34Å; H7-Q11 PolarHBondContact O-N 3.44Å; I8-Q11 PolarHBondContact O-N 3.09Å; Q11-E14 PolarHBondContact O-N 3.46Å; Q11-A15 WeakPolarHBondContact O-CB 3.47Å; Q11-A15 PolarHBondContact O-N 3.11Å
12V90.7Very high83.3Confident41 Ų4184.6 Ų84.625%0.24846%0.455CS..Hα-helixtrans-62.7-44.7175.2172.20000110.5I8 L9 R10 A15 C16 C26I8-V12 HydrophobicContact CG2-CG2 4.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.28Å; I8-V12 PolarHBondContact O-N 3.18Å; L9-V12 PolarHBondContact O-N 2.76Å; R10-V12 VanDerWaalsContact C-N 3.32Å; R10-V12 PolarHBondContact O-N 3.17Å; V12-A15 PolarHBondContact O-N 3.16Å; V12-C16 WeakPolarHBondContact O-CB 3.33Å; V12-C16 PolarHBondContact O-N 3.48Å; V12-C16 PolarHBondContact O-SG 3.33Å; V12-C26 HydrophobicContact CG1-CB 3.75Å
13E89.2Confident83.3Confident99 Ų9986.5 Ų86.546%0.46345%0.454SS..Hα-helixtrans-63.1-45.3178.6-171.3-172.8172.700112.1L9 R10 C16 K17L9-E13 WeakPolarHBondContact O-CB 3.49Å; L9-E13 PolarHBondContact O-N 3.46Å; R10-E13 PolarHBondContact O-N 2.92Å; E13-C16 PolarHBondContact O-N 2.97Å; E13-K17 HydrophobicContact CG-CD 4.41Å; E13-K17 WeakPolarHBondContact O-CG 3.26Å; E13-K17 PolarHBondContact O-N 3.43Å; E13-K17 WeakPolarHBondContact OE1-CE 3.47Å; E13-K17 IonicContact OE1-NZ 2.98Å; E13-K17 PolarHBondContact OE1-NZ 3.35Å
14E91Very high83.2Confident111 Ų11192.4 Ų92.452%0.51948%0.478SS..Hα-helixtrans-60.4-45.2176.2-73.9168.6179.600111.3R10 Q11 C16 K17 A18R10-E14 WeakPolarHBondContact CD-OE1 3.26Å; R10-E14 HydrophobicContact CG-CG 4.43Å; R10-E14 WeakPolarHBondContact CG-OE1 3.19Å; R10-E14 WeakPolarHBondContact O-CB 3.39Å; R10-E14 WeakPolarHBondContact O-CG 3.14Å; R10-E14 PolarHBondContact O-N 2.85Å; Q11-E14 PolarHBondContact O-N 3.46Å; E14-C16 PolarHBondContact O-N 2.88Å; E14-K17 PolarHBondContact O-N 3.32Å; E14-A18 WeakPolarHBondContact O-CB 3.23Å; E14-A18 PolarHBondContact O-N 3.06Å
15A89Confident82.7Confident64 Ų6497 Ų9753%0.52949%0.493SS..Hα-helixtrans-63.1-40.2175.600000112.3Q11 V12 A18 S19Q11-A15 WeakPolarHBondContact O-CB 3.47Å; Q11-A15 PolarHBondContact O-N 3.11Å; V12-A15 PolarHBondContact O-N 3.16Å; A15-A18 PolarHBondContact O-N 3.49Å; A15-S19 PolarHBondContact O-N 2.89Å
16C88.5Confident82.7Confident24 Ų24100 Ų10016%0.16252%0.515CS..Hα-helixtrans-63.6-40.3175.5-69.10000112V12 E13 E14 S19 C26V12-C16 WeakPolarHBondContact O-CB 3.33Å; V12-C16 PolarHBondContact O-N 3.48Å; V12-C16 PolarHBondContact O-SG 3.33Å; E13-C16 PolarHBondContact O-N 2.97Å; E14-C16 PolarHBondContact O-N 2.88Å; C16-S19 WeakPolarHBondContact O-CB 3.25Å; C16-S19 PolarHBondContact O-N 3.26Å; C16-C26 PolarHBondContact SG-SG 3.19Å
17K86.8Confident83Confident131 Ų131102.3 Ų102.357%0.5752%0.515SS*.Hα-helixtrans-68.8-36178.6-74.7174.7-175.5170.10112.5E13 E14 S19E13-K17 HydrophobicContact CG-CD 4.41Å; E13-K17 WeakPolarHBondContact O-CG 3.26Å; E13-K17 PolarHBondContact O-N 3.43Å; E13-K17 WeakPolarHBondContact OE1-CE 3.47Å; E13-K17 IonicContact OE1-NZ 2.98Å; E13-K17 PolarHBondContact OE1-NZ 3.35Å; E14-K17 PolarHBondContact O-N 3.32Å; K17-S19 VanDerWaalsContact C-N 3.25Å; K17-S19 PolarHBondContact O-N 3.4Å
18A86.6Confident83.1Confident87 Ų87101 Ų10172%0.71951%0.51SS*.Hα-helixtrans-75.2-14.6177.300000113.3E14 A15E14-A18 WeakPolarHBondContact O-CB 3.23Å; E14-A18 PolarHBondContact O-N 3.06Å; A15-A18 PolarHBondContact O-N 3.49Å
19S83.6Confident83.4Confident42 Ų4299.6 Ų99.629%0.29451%0.505SS..SBendtrans-72.8136.5-176.6179.10000112.4A15 C16 K17 Y21 N22A15-S19 PolarHBondContact O-N 2.89Å; C16-S19 WeakPolarHBondContact O-CB 3.25Å; C16-S19 PolarHBondContact O-N 3.26Å; K17-S19 VanDerWaalsContact C-N 3.25Å; K17-S19 PolarHBondContact O-N 3.4Å; S19-Y21 PolarHBondContact O-N 3.41Å; S19-Y21 VanDerWaalsContact O-N 3.15Å; S19-Y21 WeakPolarHBondContact OG-CD2 3.47Å; S19-Y21 PolarHBondContact OG-N 3.01Å; S19-N22 PolarHBondContact O-N 3.5Å
20P77.8Confident83.7Confident116 Ų11697.4 Ų97.475%0.75350%0.497SS*.THydrogen-bonded Turntrans-67.5-13.1176.429.1-35.5000113.2N22P20-N22 PolarHBondContact O-N 2.93Å
21Y73.5Confident84Confident181 Ų18195.3 Ų95.371%0.7150%0.497SS*.THydrogen-bonded Turntrans-81.69.6-179.6-57.4-71000114.1S19S19-Y21 PolarHBondContact O-N 3.41Å; S19-Y21 VanDerWaalsContact O-N 3.15Å; S19-Y21 WeakPolarHBondContact OG-CD2 3.47Å; S19-Y21 PolarHBondContact OG-N 3.01Å
22N55.1Low84.3Confident138 Ų13890.8 Ų90.874%0.73848%0.476SS*.  trans40.979.4167.2-147.915.3000115.3S19 P20S19-N22 PolarHBondContact O-N 3.5Å; P20-N22 PolarHBondContact O-N 2.93Å
23Q56.1Low84.5Confident150 Ų15093.4 Ų93.470%0.70148%0.484SS*.  trans61.270.9167.6-61.7-173-3.100117.5
24K63.8Low84.8Confident168 Ų16895.7 Ų95.773%0.7350%0.495SS*.  trans-102.8122.8143.8-74.6-174.1179.1179.20108.5C26K24-C26 PolarHBondContact O-N 3.23Å; K24-C26 VanDerWaalsContact O-N 3.11Å
25F74.3Confident84.9Confident191 Ų19196.1 Ų96.184%0.83850%0.495SS*.  trans-54.5115177.1-174.8-90.2000109.8R27F25-R27 PolarHBondContact O-N 2.96Å
26C88.5Confident85.3Confident71 Ų7196.9 Ų96.948%0.4850%0.495SS..PPolyproline II helixtrans-73122.6170.5-740000109.3V12 C16 K24 L28V12-C26 HydrophobicContact CG1-CB 3.75Å; C16-C26 PolarHBondContact SG-SG 3.19Å; K24-C26 PolarHBondContact O-N 3.23Å; K24-C26 VanDerWaalsContact O-N 3.11Å; C26-L28 PolarHBondContact O-N 3Å
27R92.6Very high85.6Confident111 Ų11198 Ų9842%0.41950%0.499SS..PPolyproline II helixtrans-75.6117.6171.8174.8-176.4-72.5151.6-2.9109.5F25 V29 H50 Y98F25-R27 PolarHBondContact O-N 2.96Å; R27-V29 HydrophobicContact CG-CG2 4.31Å; R27-V29 PolarHBondContact O-N 3.13Å; R27-H50 VanDerWaalsContact CD-CE1 3.44Å; R27-H50 WeakPolarHBondContact CD-CE1 3.37Å; R27-H50 WeakPolarHBondContact CD-ND1 3.4Å; R27-H50 HydrophobicContact CG-CB 4.34Å; R27-H50 VanDerWaalsContact CZ-CE1 3.46Å; R27-H50 PolarHBondContact NE-CE1 3.04Å; R27-H50 PolarHBondContact NE-NE2 3.19Å; R27-Y98 PolarHBondContact NH2-OH 3.07Å
28L94.7Very high86.1Confident41 Ų4197.9 Ų97.922%0.21550%0.5CS..PPolyproline II helixtrans-75.2122.3167.3-178.864.5000110.2L5 I8 L9 C26 Q48L5-L28 HydrophobicContact CD1-CD2 3.45Å; L5-L28 VanDerWaalsContact CD1-CD2 3.45Å; I8-L28 HydrophobicContact CG2-CD1 3.95Å; I8-L28 HydrophobicContact CG2-CD2 3.83Å; L9-L28 HydrophobicContact CD2-CB 4.34Å; L9-L28 HydrophobicContact CD2-CD2 3.71Å; L9-L28 HydrophobicContact CG-CD2 4.24Å; C26-L28 PolarHBondContact O-N 3Å; L28-Q48 PolarHBondContact O-NE2 3.33Å
29V96.9Very high86.5Confident38 Ų3895.4 Ų95.423%0.2348%0.478CS..  trans-104.7111.3169-1770000108.4R27 V31 H50 H78R27-V29 HydrophobicContact CG-CG2 4.31Å; R27-V29 PolarHBondContact O-N 3.13Å; V29-V31 PolarHBondContact O-N 3.08Å; V29-H50 HydrophobicContact CG2-CB 4.18Å; V29-H78 HydrophobicContact CG1-CB 4.05Å
30A96.9Very high87.1Confident26 Ų2693.5 Ų93.522%0.21546%0.464CS..EExtended strand (participates in β ladder)trans-79.9112.4-179.500000110.4S32 Q48 H50 F51 G52A30-S32 PolarHBondContact O-N 3.19Å; A30-Q48 HydrophobicContact CB-CG 3.76Å; A30-H50 PolarHBondContact N-O 2.94Å; A30-F51 HydrophobicContact CB-CD1 3.88Å; A30-F51 HydrophobicContact CB-CE1 4.03Å; A30-F51 CarbonylContact O-C 3.37Å; A30-F51 VanDerWaalsContact O-CA 3.25Å; A30-F51 WeakPolarHBondContact O-CA 3.4Å; A30-G52 PolarHBondContact O-N 2.66Å
31V97.2Very high88Confident72 Ų7288.6 Ų88.644%0.43643%0.431SS..EExtended strand (participates in β ladder)trans-73.6111.4-179.3-178.30000110.2V29 K33 G52 I80V29-V31 PolarHBondContact O-N 3.08Å; V31-K33 HydrophobicContact CG1-CB 4.23Å; V31-K33 HydrophobicContact CG1-CD 4.03Å; V31-K33 HydrophobicContact CG1-CG 3.85Å; V31-G52 WeakPolarHBondContact CA-O 2.97Å; V31-I80 HydrophobicContact CB-CD1 4.41Å; V31-I80 HydrophobicContact CG1-CD1 3.99Å; V31-I80 HydrophobicContact CG2-CD1 3.65Å
32S96.8Very high89.1Confident5 Ų582.7 Ų82.74%0.03541%0.41CS..  trans-99.36.7-175.556.10000114A30 E34 K35 G52 E53 K62A30-S32 PolarHBondContact O-N 3.19Å; S32-E34 PolarHBondContact O-N 3.08Å; S32-K35 VanDerWaalsContact O-CB 3.29Å; S32-K35 WeakPolarHBondContact O-CB 3.38Å; S32-K35 PolarHBondContact O-N 2.97Å; S32-G52 PolarHBondContact N-O 3.42Å; S32-G52 PolarHBondContact OG-O 2.92Å; S32-E53 WeakPolarHBondContact CB-OE1 3.45Å; S32-E53 PolarHBondContact OG-OE1 3.32Å; S32-K62 PolarHBondContact O-NZ 3.2Å
33K96.1Very high91Very high96 Ų9676.4 Ų76.442%0.41738%0.378SS..THydrogen-bonded Turntrans-50.3131.2177.277.8-176.4177.1178.80110.3V31 K35 E53 N54V31-K33 HydrophobicContact CG1-CB 4.23Å; V31-K33 HydrophobicContact CG1-CD 4.03Å; V31-K33 HydrophobicContact CG1-CG 3.85Å; K33-K35 PolarHBondContact O-N 3.14Å; K33-E53 WeakPolarHBondContact CA-OE2 3.47Å; K33-E53 PolarHBondContact N-OE1 3.43Å; K33-N54 WeakPolarHBondContact CB-OD1 3.34Å; K33-N54 HydrophobicContact CD-CB 4.48Å; K33-N54 WeakPolarHBondContact CD-ND2 3.43Å
34E94Very high92.9Very high147 Ų14770.3 Ų70.369%0.68735%0.348SS*.THydrogen-bonded Turntrans59.510.2178.9-55.4174.717000114.6S32S32-E34 PolarHBondContact O-N 3.08Å
35K95.1Very high94.4Very high120 Ų12067.9 Ų67.952%0.52234%0.343SS..  trans-88.5141.3171.9-55.6-52.5-179.2-173.80110.5S32 K33 K62S32-K35 VanDerWaalsContact O-CB 3.29Å; S32-K35 WeakPolarHBondContact O-CB 3.38Å; S32-K35 PolarHBondContact O-N 2.97Å; K33-K35 PolarHBondContact O-N 3.14Å; K35-K62 PolarHBondContact O-NZ 2.91Å; K35-K62 VanDerWaalsContact O-NZ 3.13Å
36P95.5Very high95.3Very high80 Ų8064.3 Ų64.352%0.51933%0.328SS..  trans-66.5155.3174.530.3-35.1000110.5Q38 S39P36-Q38 PolarHBondContact O-N 3.4Å; P36-S39 PolarHBondContact O-N 3.37Å
37I96.6Very high95.5Very high48 Ų4863.3 Ų63.325%0.24633%0.329CS..Hα-helixtrans-51.5-40.8177.3-75.9167.4000111.6S39 I40 I41 A65 E67 L68I37-S39 VanDerWaalsContact C-N 3.26Å; I37-S39 PolarHBondContact O-N 3.23Å; I37-I40 WeakPolarHBondContact O-CA 3.16Å; I37-I40 WeakPolarHBondContact O-CB 3.35Å; I37-I40 PolarHBondContact O-N 2.86Å; I37-I41 HydrophobicContact CG2-CD1 3.73Å; I37-I41 HydrophobicContact CG2-CG1 4.22Å; I37-I41 PolarHBondContact O-N 2.94Å; I37-A65 HydrophobicContact CD1-CB 3.65Å; I37-E67 HydrophobicContact CG2-CB 3.91Å; I37-L68 HydrophobicContact CG1-CD1 4.12Å; I37-L68 HydrophobicContact CG1-CG 4.33Å; I37-L68 HydrophobicContact CG2-CD2 3.9Å; I37-L68 HydrophobicContact CG2-CG 3.87Å
38Q96Very high95.7Very high127 Ų12758.5 Ų58.559%0.59331%0.311SS*.Hα-helixtrans-59.6-35.4-178.4-169.357.44300113.1P36 I40 I41 E42P36-Q38 PolarHBondContact O-N 3.4Å; Q38-I40 VanDerWaalsContact C-N 3.3Å; Q38-I40 PolarHBondContact O-N 3.48Å; Q38-I41 PolarHBondContact O-N 2.75Å; Q38-E42 WeakPolarHBondContact O-CB 3.38Å; Q38-E42 PolarHBondContact O-N 2.91Å
39S95.2Very high95.8Very high36 Ų3659.6 Ų59.625%0.25231%0.313SS..Hα-helixtrans-69.8-30.2175.7-62.20000112.1I3 P36 I37 A43I3-S39 WeakPolarHBondContact CD1-O 3.42Å; P36-S39 PolarHBondContact O-N 3.37Å; I37-S39 VanDerWaalsContact C-N 3.26Å; I37-S39 PolarHBondContact O-N 3.23Å; S39-A43 PolarHBondContact O-N 2.99Å
40I97Very high95.9Very high2 Ų259 Ų591%0.0131%0.307CS..Hα-helixtrans-69.8-45.1175.2-55.9176.9000109.3I37 Q38 E42 A43 Y44 F51 K62 L68 I75 W77I37-I40 WeakPolarHBondContact O-CA 3.16Å; I37-I40 WeakPolarHBondContact O-CB 3.35Å; I37-I40 PolarHBondContact O-N 2.86Å; Q38-I40 VanDerWaalsContact C-N 3.3Å; Q38-I40 PolarHBondContact O-N 3.48Å; I40-E42 PolarHBondContact O-N 2.85Å; I40-A43 PolarHBondContact O-N 3.46Å; I40-Y44 VanDerWaalsContact O-CB 3.26Å; I40-Y44 WeakPolarHBondContact O-CB 3.44Å; I40-Y44 PolarHBondContact O-N 2.93Å; I40-F51 HydrophobicContact CB-CE1 4.45Å; I40-F51 HydrophobicContact CG2-CD1 4.04Å; I40-F51 HydrophobicContact CG2-CE1 3.82Å; I40-F51 HydrophobicContact CG2-CE2 4.33Å; I40-F51 HydrophobicContact CG2-CG 4.37Å; I40-F51 HydrophobicContact CG2-CZ 3.96Å; I40-K62 HydrophobicContact CD1-CD 3.91Å; I40-L68 HydrophobicContact CB-CD2 3.97Å; I40-L68 HydrophobicContact CD1-CD1 4.29Å; I40-L68 HydrophobicContact CG2-CD2 3.74Å; I40-I75 HydrophobicContact CG2-CD1 3.8Å; I40-W77 HydrophobicContact CD1-CH2 4.02Å; I40-W77 HydrophobicContact CG2-CH2 4.36Å
41I97.1Very high96Very high13 Ų1357.9 Ų57.97%0.06730%0.297CS..Hα-helixtrans-60.8-44.6175.9-63.2173.1000110.9I37 Q38 Y44 N45 E67 L68I37-I41 HydrophobicContact CG2-CD1 3.73Å; I37-I41 HydrophobicContact CG2-CG1 4.22Å; I37-I41 PolarHBondContact O-N 2.94Å; Q38-I41 PolarHBondContact O-N 2.75Å; I41-Y44 WeakPolarHBondContact O-CB 3.18Å; I41-Y44 PolarHBondContact O-N 2.77Å; I41-N45 VanDerWaalsContact O-CG 3.25Å; I41-N45 PolarHBondContact O-N 3.22Å; I41-N45 PolarHBondContact O-ND2 3.48Å; I41-E67 HydrophobicContact CD1-CB 4.1Å; I41-L68 HydrophobicContact CD1-CD2 4.47Å; I41-L68 HydrophobicContact CG1-CD2 3.79Å
42E95.3Very high96Very high57 Ų5754.4 Ų54.427%0.26628%0.276SS..Hα-helixtrans-58.7-51.5176.4-174.5-173.5172.200111.1I3 Q38 I40 Y44 N45 F46I3-E42 HydrophobicContact CD1-CB 3.84Å; I3-E42 HydrophobicContact CD1-CG 3.97Å; I3-E42 HydrophobicContact CG1-CG 4.44Å; I3-E42 PolarHBondContact N-OE1 2.98Å; Q38-E42 WeakPolarHBondContact O-CB 3.38Å; Q38-E42 PolarHBondContact O-N 2.91Å; I40-E42 PolarHBondContact O-N 2.85Å; E42-Y44 VanDerWaalsContact C-N 3.26Å; E42-Y44 PolarHBondContact O-N 2.8Å; E42-N45 PolarHBondContact O-N 3.3Å; E42-F46 HydrophobicContact CG-CD2 4.37Å; E42-F46 HydrophobicContact CG-CE2 4.18Å; E42-F46 VanDerWaalsContact O-CD2 3.28Å; E42-F46 WeakPolarHBondContact O-CD2 3.41Å; E42-F46 PolarHBondContact O-N 3.44Å
43A95.1Very high96.1Very high6 Ų654.2 Ų54.25%0.0528%0.275CS..Hα-helixtrans-59.5-40.5177.300000111.8I3 S39 I40 N45 F46 G47 Q48 F51I3-A43 HydrophobicContact CD1-CB 3.65Å; I3-A43 HydrophobicContact CG2-CB 4.4Å; S39-A43 PolarHBondContact O-N 2.99Å; I40-A43 PolarHBondContact O-N 3.46Å; A43-N45 VanDerWaalsContact C-N 3.33Å; A43-N45 PolarHBondContact O-N 3.16Å; A43-F46 CarbonylContact O-C 3.52Å; A43-F46 PolarHBondContact O-N 3.45Å; A43-F46 VanDerWaalsContact O-N 3.14Å; A43-G47 PolarHBondContact O-N 3.27Å; A43-Q48 HydrophobicContact CB-CB 4.05Å; A43-Q48 HydrophobicContact CB-CG 4.49Å; A43-Q48 WeakPolarHBondContact O-CB 3.33Å; A43-Q48 PolarHBondContact O-N 2.97Å; A43-Q48 VanDerWaalsContact O-N 3.09Å; A43-F51 HydrophobicContact CB-CE1 3.76Å; A43-F51 HydrophobicContact CB-CZ 3.79Å
44Y96.6Very high96.2Very high22 Ų2251.9 Ų51.99%0.08627%0.267CS..Hα-helixtrans-62.1-41178.7178.1-82000112I40 I41 E42 F46 G47 Q48 R49 S71 C72 P73 D74I40-Y44 VanDerWaalsContact O-CB 3.26Å; I40-Y44 WeakPolarHBondContact O-CB 3.44Å; I40-Y44 PolarHBondContact O-N 2.93Å; I41-Y44 WeakPolarHBondContact O-CB 3.18Å; I41-Y44 PolarHBondContact O-N 2.77Å; E42-Y44 VanDerWaalsContact C-N 3.26Å; E42-Y44 PolarHBondContact O-N 2.8Å; Y44-F46 PolarHBondContact O-N 3.27Å; Y44-G47 WeakPolarHBondContact O-CA 3.41Å; Y44-G47 PolarHBondContact O-N 3.18Å; Y44-Q48 WeakPolarHBondContact CA-O 3.45Å; Y44-R49 PolarHBondContact O-NH1 2.7Å; Y44-S71 WeakPolarHBondContact CE1-O 3.48Å; Y44-C72 HydrophobicContact CD1-CB 4.31Å; Y44-C72 HydrophobicContact CD2-CB 3.57Å; Y44-C72 HydrophobicContact CE1-CB 4.43Å; Y44-C72 HydrophobicContact CE2-CB 3.68Å; Y44-C72 HydrophobicContact CG-CB 3.89Å; Y44-C72 VanDerWaalsContact CZ-CA 3.49Å; Y44-P73 WeakPolarHBondContact OH-CD 3.44Å; Y44-D74 WeakPolarHBondContact CE2-OD1 3.48Å; Y44-D74 PolarHBondContact OH-OD1 3.03Å
45N95.1Very high96.3Very high116 Ų11649.3 Ų49.362%0.6225%0.254SS*.Hα-helixtrans-65.7-24.4176.2-70.6-19.3000112.7I41 E42 A43 G47I41-N45 VanDerWaalsContact O-CG 3.25Å; I41-N45 PolarHBondContact O-N 3.22Å; I41-N45 PolarHBondContact O-ND2 3.48Å; E42-N45 PolarHBondContact O-N 3.3Å; A43-N45 VanDerWaalsContact C-N 3.33Å; A43-N45 PolarHBondContact O-N 3.16Å; N45-G47 PolarHBondContact O-N 3.09Å
46F92.9Very high96.5Very high117 Ų11743.7 Ų43.751%0.51323%0.229SC..THydrogen-bonded Turntrans-8410169.6-77.5-77.3000114L5 P6 E42 A43 Y44L5-F46 HydrophobicContact CD2-CB 3.73Å; P6-F46 HydrophobicContact CG-CD1 4.4Å; E42-F46 HydrophobicContact CG-CD2 4.37Å; E42-F46 HydrophobicContact CG-CE2 4.18Å; E42-F46 VanDerWaalsContact O-CD2 3.28Å; E42-F46 WeakPolarHBondContact O-CD2 3.41Å; E42-F46 PolarHBondContact O-N 3.44Å; A43-F46 CarbonylContact O-C 3.52Å; A43-F46 PolarHBondContact O-N 3.45Å; A43-F46 VanDerWaalsContact O-N 3.14Å; Y44-F46 PolarHBondContact O-N 3.27Å
47G93.7Very high96.5Very high49 Ų4942.2 Ų42.251%0.50522%0.219SC..THydrogen-bonded Turntrans94.1-0.4175.900000114.9A43 Y44 N45 R49A43-G47 PolarHBondContact O-N 3.27Å; Y44-G47 WeakPolarHBondContact O-CA 3.41Å; Y44-G47 PolarHBondContact O-N 3.18Å; N45-G47 PolarHBondContact O-N 3.09Å; G47-R49 PolarHBondContact O-N 3.34Å
48Q95.9Very high96.5Very high10 Ų1043.3 Ų43.35%0.04722%0.222CC..  trans-64.4136.9173.8-169.957.138.200110.2L5 L28 A30 A43 Y44 H50 F51L5-Q48 HydrophobicContact CD2-CB 3.78Å; L28-Q48 PolarHBondContact O-NE2 3.33Å; A30-Q48 HydrophobicContact CB-CG 3.76Å; A43-Q48 HydrophobicContact CB-CB 4.05Å; A43-Q48 HydrophobicContact CB-CG 4.49Å; A43-Q48 WeakPolarHBondContact O-CB 3.33Å; A43-Q48 PolarHBondContact O-N 2.97Å; A43-Q48 VanDerWaalsContact O-N 3.09Å; Y44-Q48 WeakPolarHBondContact CA-O 3.45Å; Q48-H50 PolarHBondContact NE2-O 3.19Å; Q48-F51 HydrophobicContact CB-CE1 4.5Å; Q48-F51 HydrophobicContact CB-CE2 4.17Å; Q48-F51 HydrophobicContact CB-CZ 3.78Å; Q48-F51 HydrophobicContact CG-CD2 4.39Å; Q48-F51 HydrophobicContact CG-CE1 3.89Å; Q48-F51 HydrophobicContact CG-CE2 3.77Å; Q48-F51 HydrophobicContact CG-CZ 3.5Å
49R97.5Very high96.6Very high65 Ų6537.2 Ų37.225%0.24519%0.194CC..  trans-125.4-33176-65.9-63.2-178.1-89.94.5113.5Y44 G47 F51 D74 K76Y44-R49 PolarHBondContact O-NH1 2.7Å; G47-R49 PolarHBondContact O-N 3.34Å; R49-F51 WeakPolarHBondContact O-CD2 3.34Å; R49-D74 WeakPolarHBondContact CD-OD1 3.45Å; R49-D74 WeakPolarHBondContact CD-OD2 3.38Å; R49-D74 IonicContact CZ-OD1 3.71Å; R49-D74 VanDerWaalsContact NE-CG 3.3Å; R49-D74 IonicContact NE-OD1 2.95Å; R49-D74 PolarHBondContact NE-OD1 3.15Å; R49-D74 IonicContact NE-OD2 3.9Å; R49-D74 PolarHBondContact NE-OD2 2.87Å; R49-K76 PolarHBondContact O-N 3.38Å
50H98.3Very high96.8Very high24 Ų2438.9 Ų38.911%0.11120%0.195CC..EExtended strand (participates in β ladder)trans-92.7120.3-177.1-68.1-88.6000110.7R27 V29 A30 Q48 K76 H78 Y98R27-H50 VanDerWaalsContact CD-CE1 3.44Å; R27-H50 WeakPolarHBondContact CD-CE1 3.37Å; R27-H50 WeakPolarHBondContact CD-ND1 3.4Å; R27-H50 HydrophobicContact CG-CB 4.34Å; R27-H50 VanDerWaalsContact CZ-CE1 3.46Å; R27-H50 PolarHBondContact NE-CE1 3.04Å; R27-H50 PolarHBondContact NE-NE2 3.19Å; V29-H50 HydrophobicContact CG2-CB 4.18Å; A30-H50 PolarHBondContact N-O 2.94Å; Q48-H50 PolarHBondContact NE2-O 3.19Å; H50-K76 WeakPolarHBondContact CA-O 3.46Å; H50-K76 WeakPolarHBondContact CE1-CD 3.43Å; H50-H78 AromaticContact CE1-NE2 3.8Å; H50-H78 AromaticContact CG-NE2 3.63Å; H50-H78 AromaticContact ND1-CD2 3.79Å; H50-H78 AromaticContact ND1-CE1 3.75Å; H50-H78 AromaticContact ND1-NE2 2.8Å; H50-H78 PolarHBondContact ND1-NE2 2.91Å; H50-Y98 AromaticContact CE1-CD1 3.96Å; H50-Y98 AromaticContact CE1-CE1 3.74Å
51F98.5Very high96.8Very high3 Ų342.9 Ų42.91%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-127139.3-179.2-68.2-94.4000111.5A30 I40 A43 Q48 R49 I75 K76 W77 H78A30-F51 HydrophobicContact CB-CD1 3.88Å; A30-F51 HydrophobicContact CB-CE1 4.03Å; A30-F51 CarbonylContact O-C 3.37Å; A30-F51 VanDerWaalsContact O-CA 3.25Å; A30-F51 WeakPolarHBondContact O-CA 3.4Å; I40-F51 HydrophobicContact CB-CE1 4.45Å; I40-F51 HydrophobicContact CG2-CD1 4.04Å; I40-F51 HydrophobicContact CG2-CE1 3.82Å; I40-F51 HydrophobicContact CG2-CE2 4.33Å; I40-F51 HydrophobicContact CG2-CG 4.37Å; I40-F51 HydrophobicContact CG2-CZ 3.96Å; A43-F51 HydrophobicContact CB-CE1 3.76Å; A43-F51 HydrophobicContact CB-CZ 3.79Å; Q48-F51 HydrophobicContact CB-CE1 4.5Å; Q48-F51 HydrophobicContact CB-CE2 4.17Å; Q48-F51 HydrophobicContact CB-CZ 3.78Å; Q48-F51 HydrophobicContact CG-CD2 4.39Å; Q48-F51 HydrophobicContact CG-CE1 3.89Å; Q48-F51 HydrophobicContact CG-CE2 3.77Å; Q48-F51 HydrophobicContact CG-CZ 3.5Å; R49-F51 WeakPolarHBondContact O-CD2 3.34Å; F51-I75 HydrophobicContact CB-CD1 4.46Å; F51-I75 HydrophobicContact CD2-CD1 3.54Å; F51-I75 HydrophobicContact CD2-CG1 3.59Å; F51-I75 HydrophobicContact CE2-CD1 3.92Å; F51-I75 HydrophobicContact CE2-CG1 4.09Å; F51-I75 HydrophobicContact CG-CD1 4.12Å; F51-I75 HydrophobicContact CG-CG1 4.45Å; F51-K76 PolarHBondContact N-O 3.22Å; F51-W77 HydrophobicContact CB-CE3 3.74Å; F51-W77 HydrophobicContact CB-CH2 4.43Å; F51-W77 HydrophobicContact CB-CZ3 3.57Å; F51-W77 HydrophobicContact CG-CZ3 4.46Å; F51-W77 CarbonylContact O-C 3.53Å; F51-H78 PolarHBondContact O-N 2.92Å
52G98.5Very high96.8Very high0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans-108.1128.6-177.600000112.8A30 V31 S32 H78A30-G52 PolarHBondContact O-N 2.66Å; V31-G52 WeakPolarHBondContact CA-O 2.97Å; S32-G52 PolarHBondContact N-O 3.42Å; S32-G52 PolarHBondContact OG-O 2.92Å; G52-H78 WeakPolarHBondContact CA-O 3.38Å
53E98.5Very high97Very high0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-118.3145.7170.2-77.7-62.6150.600111.4S32 K33 L59 K62 W77 H78 F79 I80S32-E53 WeakPolarHBondContact CB-OE1 3.45Å; S32-E53 PolarHBondContact OG-OE1 3.32Å; K33-E53 WeakPolarHBondContact CA-OE2 3.47Å; K33-E53 PolarHBondContact N-OE1 3.43Å; E53-L59 HydrophobicContact CB-CB 3.71Å; E53-L59 HydrophobicContact CB-CD1 4.04Å; E53-L59 HydrophobicContact CB-CD2 4.48Å; E53-L59 HydrophobicContact CB-CG 4.27Å; E53-L59 HydrophobicContact CG-CB 4.15Å; E53-L59 HydrophobicContact CG-CD1 4.05Å; E53-K62 HydrophobicContact CG-CD 4.29Å; E53-K62 WeakPolarHBondContact OE1-CD 3.4Å; E53-K62 WeakPolarHBondContact OE1-CE 2.95Å; E53-K62 IonicContact OE1-NZ 2.65Å; E53-K62 PolarHBondContact OE1-NZ 2.96Å; E53-W77 HydrophobicContact CG-CE3 4.28Å; E53-W77 HydrophobicContact CG-CZ3 4.03Å; E53-H78 PolarHBondContact N-O 2.94Å; E53-F79 WeakPolarHBondContact O-CD2 3.41Å; E53-I80 WeakPolarHBondContact O-CG1 3.29Å; E53-I80 PolarHBondContact O-N 3.18Å
54N97.6Very high97.1Very high47 Ų4745.3 Ų45.325%0.25122%0.224SC..SBendtrans-108.5-3.4-176.675-21.6000114.3K33 G81K33-N54 WeakPolarHBondContact CB-OD1 3.34Å; K33-N54 HydrophobicContact CD-CB 4.48Å; K33-N54 WeakPolarHBondContact CD-ND2 3.43Å; N54-G81 WeakPolarHBondContact O-CA 3.36Å
55K97.4Very high97.2Very high94 Ų9444.7 Ų44.741%0.40922%0.223SC..  trans-126.3121.7176.1-71.3177.7-179.4172.50109.2V57 H58 L59K55-V57 PolarHBondContact O-N 3.32Å; K55-H58 HydrophobicContact CB-CB 4.16Å; K55-H58 PolarHBondContact O-N 3.24Å; K55-H58 VanDerWaalsContact O-N 3.11Å; K55-L59 PolarHBondContact O-N 3.43Å
56I97.6Very high97.3Very high2 Ų243.1 Ų43.11%0.0122%0.219CC..Hα-helixtrans-55.4-40.5-176.8-62.5176.7000111.5L59 Y60 F79 K87 K90 L91I56-L59 PolarHBondContact O-N 2.99Å; I56-Y60 WeakPolarHBondContact O-CB 3.4Å; I56-Y60 PolarHBondContact O-N 2.94Å; I56-F79 HydrophobicContact CB-CE2 4.36Å; I56-F79 HydrophobicContact CD1-CE1 4.41Å; I56-F79 HydrophobicContact CD1-CZ 4.11Å; I56-F79 HydrophobicContact CG1-CD2 4.08Å; I56-F79 HydrophobicContact CG1-CE1 4.08Å; I56-F79 HydrophobicContact CG1-CE2 3.44Å; I56-F79 VanDerWaalsContact CG1-CE2 3.44Å; I56-F79 HydrophobicContact CG1-CZ 3.44Å; I56-F79 VanDerWaalsContact CG1-CZ 3.44Å; I56-K87 HydrophobicContact CB-CB 4.49Å; I56-K87 HydrophobicContact CD1-CB 3.97Å; I56-K87 HydrophobicContact CG2-CB 4.49Å; I56-K90 HydrophobicContact CG2-CB 3.87Å; I56-K90 HydrophobicContact CG2-CG 4.26Å; I56-L91 HydrophobicContact CD1-CD1 4.05Å; I56-L91 HydrophobicContact CD1-CG 4.13Å; I56-L91 HydrophobicContact CG1-CD1 4.37Å; I56-L91 HydrophobicContact CG1-CD2 4.15Å; I56-L91 HydrophobicContact CG1-CG 4.16Å; I56-L91 HydrophobicContact CG2-CD2 4.2Å; I56-L91 HydrophobicContact CG2-CG 4.12Å
57V96.3Very high97.6Very high49 Ų4942.3 Ų42.330%0.29722%0.217SC..Hα-helixtrans-63.2-49.6179.4-179.90000110.7K55 L59 Y60 D61 K87K55-V57 PolarHBondContact O-N 3.32Å; V57-L59 VanDerWaalsContact C-N 3.32Å; V57-L59 PolarHBondContact O-N 3.26Å; V57-Y60 PolarHBondContact O-N 3.37Å; V57-D61 WeakPolarHBondContact CG1-OD2 3.25Å; V57-D61 PolarHBondContact O-N 3.11Å; V57-K87 HydrophobicContact CG2-CD 4.12Å
58H97.2Very high97.8Very high70 Ų7040.2 Ų40.232%0.32419%0.194SC..Hα-helixtrans-63.6-39.4178.8-65.6-175.4000112.2K55 D61 K62K55-H58 HydrophobicContact CB-CB 4.16Å; K55-H58 PolarHBondContact O-N 3.24Å; K55-H58 VanDerWaalsContact O-N 3.11Å; H58-D61 PolarHBondContact O-N 3.47Å; H58-K62 WeakPolarHBondContact O-CB 3.4Å; H58-K62 VanDerWaalsContact O-CG 3.3Å; H58-K62 WeakPolarHBondContact O-CG 3.2Å; H58-K62 PolarHBondContact O-N 3.43Å
59L98.3Very high97.9Very high0 Ų043.5 Ų43.50%021%0.211CC..Hα-helixtrans-60.6-48.7176.3175.154000111.2E53 K55 I56 V57 K62 S63 W77 F79 L91 V94 L97E53-L59 HydrophobicContact CB-CB 3.71Å; E53-L59 HydrophobicContact CB-CD1 4.04Å; E53-L59 HydrophobicContact CB-CD2 4.48Å; E53-L59 HydrophobicContact CB-CG 4.27Å; E53-L59 HydrophobicContact CG-CB 4.15Å; E53-L59 HydrophobicContact CG-CD1 4.05Å; K55-L59 PolarHBondContact O-N 3.43Å; I56-L59 PolarHBondContact O-N 2.99Å; V57-L59 VanDerWaalsContact C-N 3.32Å; V57-L59 PolarHBondContact O-N 3.26Å; L59-K62 PolarHBondContact O-N 2.8Å; L59-S63 WeakPolarHBondContact O-CB 3.3Å; L59-S63 PolarHBondContact O-N 3.4Å; L59-W77 HydrophobicContact CD1-CB 3.65Å; L59-W77 HydrophobicContact CD1-CD2 3.54Å; L59-W77 HydrophobicContact CD1-CE3 3.62Å; L59-W77 HydrophobicContact CD1-CG 3.57Å; L59-W77 HydrophobicContact CD1-CZ3 4.45Å; L59-F79 HydrophobicContact CD2-CB 3.91Å; L59-F79 HydrophobicContact CD2-CD2 4.02Å; L59-F79 HydrophobicContact CD2-CG 4.41Å; L59-L91 HydrophobicContact CD2-CD2 3.98Å; L59-V94 HydrophobicContact CD1-CG1 3.96Å; L59-V94 HydrophobicContact CD2-CG1 4.15Å; L59-V94 HydrophobicContact CD2-CG2 4.25Å; L59-V94 HydrophobicContact CG-CG1 3.77Å; L59-V94 HydrophobicContact CG-CG2 4.01Å; L59-L97 HydrophobicContact CD2-CD1 4.12Å
60Y97.9Very high97.9Very high70 Ų7046.5 Ų46.528%0.27523%0.232SC..Hα-helixtrans-59.2-51.2176.8-176.2-84.4000111.1I56 V57 K62 S63 Y64 K90 V94I56-Y60 WeakPolarHBondContact O-CB 3.4Å; I56-Y60 PolarHBondContact O-N 2.94Å; V57-Y60 PolarHBondContact O-N 3.37Å; Y60-K62 VanDerWaalsContact C-N 3.3Å; Y60-K62 PolarHBondContact O-N 3.47Å; Y60-S63 PolarHBondContact O-N 3.5Å; Y60-S63 PolarHBondContact O-OG 2.86Å; Y60-Y64 AromaticContact CD1-CD2 3.92Å; Y60-Y64 HydrophobicContact CD1-CD2 3.92Å; Y60-Y64 HydrophobicContact CD1-CE2 4.24Å; Y60-Y64 HydrophobicContact CD2-CD2 4.4Å; Y60-Y64 AromaticContact CD2-CE2 4Å; Y60-Y64 HydrophobicContact CD2-CE2 4Å; Y60-Y64 AromaticContact CE1-CD2 3.64Å; Y60-Y64 HydrophobicContact CE1-CD2 3.64Å; Y60-Y64 AromaticContact CE1-CE2 3.77Å; Y60-Y64 HydrophobicContact CE1-CE2 3.77Å; Y60-Y64 HydrophobicContact CE2-CD2 4.19Å; Y60-Y64 AromaticContact CE2-CE2 3.52Å; Y60-Y64 HydrophobicContact CE2-CE2 3.52Å; Y60-Y64 HydrophobicContact CG-CD2 4.28Å; Y60-Y64 HydrophobicContact CG-CE2 4.33Å; Y60-Y64 AromaticContact CZ-CD2 3.78Å; Y60-Y64 AromaticContact CZ-CE2 3.37Å; Y60-Y64 WeakPolarHBondContact O-CD2 3.39Å; Y60-Y64 PolarHBondContact O-N 3.19Å; Y60-K90 VanDerWaalsContact CB-CE 3.43Å; Y60-K90 HydrophobicContact CD2-CD 4.17Å; Y60-K90 VanDerWaalsContact CD2-CE 3.44Å; Y60-K90 HydrophobicContact CD2-CG 3.54Å; Y60-K90 HydrophobicContact CE2-CG 4.03Å; Y60-K90 HydrophobicContact CG-CD 4.13Å; Y60-K90 HydrophobicContact CG-CG 3.98Å; Y60-V94 HydrophobicContact CD2-CG2 4.28Å
61D97.7Very high97.9Very high86 Ų8647.7 Ų47.746%0.4624%0.243SC..Hα-helixtrans-61.2-40.3-177.1-59.2-15.6000111.1V57 H58 Y64 A65 K90V57-D61 WeakPolarHBondContact CG1-OD2 3.25Å; V57-D61 PolarHBondContact O-N 3.11Å; H58-D61 PolarHBondContact O-N 3.47Å; D61-Y64 PolarHBondContact O-N 2.93Å; D61-A65 PolarHBondContact O-N 3.42Å; D61-K90 IonicContact OD1-NZ 3.46Å
62K98.1Very high97.9Very high25 Ų2547.5 Ų47.511%0.10924%0.243CC..Hα-helixtrans-64.9-39.1173.2-75.3179.3177.5-170.40112.8S32 K35 I40 E53 H58 L59 Y60 Y64 A65 L68 W77S32-K62 PolarHBondContact O-NZ 3.2Å; K35-K62 PolarHBondContact O-NZ 2.91Å; K35-K62 VanDerWaalsContact O-NZ 3.13Å; I40-K62 HydrophobicContact CD1-CD 3.91Å; E53-K62 HydrophobicContact CG-CD 4.29Å; E53-K62 WeakPolarHBondContact OE1-CD 3.4Å; E53-K62 WeakPolarHBondContact OE1-CE 2.95Å; E53-K62 IonicContact OE1-NZ 2.65Å; E53-K62 PolarHBondContact OE1-NZ 2.96Å; H58-K62 WeakPolarHBondContact O-CB 3.4Å; H58-K62 VanDerWaalsContact O-CG 3.3Å; H58-K62 WeakPolarHBondContact O-CG 3.2Å; H58-K62 PolarHBondContact O-N 3.43Å; L59-K62 PolarHBondContact O-N 2.8Å; Y60-K62 VanDerWaalsContact C-N 3.3Å; Y60-K62 PolarHBondContact O-N 3.47Å; K62-Y64 PolarHBondContact O-N 3.26Å; K62-A65 WeakPolarHBondContact O-CB 3.47Å; K62-A65 PolarHBondContact O-N 3.1Å; K62-A65 VanDerWaalsContact O-N 3.13Å; K62-L68 HydrophobicContact CB-CD1 4.05Å; K62-L68 HydrophobicContact CG-CD1 4.46Å; K62-L68 WeakPolarHBondContact O-CD1 3.41Å; K62-W77 HydrophobicContact CB-CH2 4.06Å; K62-W77 HydrophobicContact CB-CZ2 4.07Å; K62-W77 HydrophobicContact CD-CH2 4.23Å
63S98.1Very high97.8Very high6 Ų651.5 Ų51.54%0.04227%0.268CS..Hα-helixtrans-65.7-17.8179.176.80000113.7L59 Y60 N95L59-S63 WeakPolarHBondContact O-CB 3.3Å; L59-S63 PolarHBondContact O-N 3.4Å; Y60-S63 PolarHBondContact O-N 3.5Å; Y60-S63 PolarHBondContact O-OG 2.86Å; S63-N95 WeakPolarHBondContact O-CB 3.34Å; S63-N95 PolarHBondContact O-ND2 3.38Å; S63-N95 PolarHBondContact OG-N 3.41Å
64Y98.1Very high97.8Very high96 Ų9655 Ų5538%0.37629%0.287SS..THydrogen-bonded Turntrans-107.32.5175.2-74.7-79.5000114.1Y60 D61 K62 P66 G93 N95Y60-Y64 AromaticContact CD1-CD2 3.92Å; Y60-Y64 HydrophobicContact CD1-CD2 3.92Å; Y60-Y64 HydrophobicContact CD1-CE2 4.24Å; Y60-Y64 HydrophobicContact CD2-CD2 4.4Å; Y60-Y64 AromaticContact CD2-CE2 4Å; Y60-Y64 HydrophobicContact CD2-CE2 4Å; Y60-Y64 AromaticContact CE1-CD2 3.64Å; Y60-Y64 HydrophobicContact CE1-CD2 3.64Å; Y60-Y64 AromaticContact CE1-CE2 3.77Å; Y60-Y64 HydrophobicContact CE1-CE2 3.77Å; Y60-Y64 HydrophobicContact CE2-CD2 4.19Å; Y60-Y64 AromaticContact CE2-CE2 3.52Å; Y60-Y64 HydrophobicContact CE2-CE2 3.52Å; Y60-Y64 HydrophobicContact CG-CD2 4.28Å; Y60-Y64 HydrophobicContact CG-CE2 4.33Å; Y60-Y64 AromaticContact CZ-CD2 3.78Å; Y60-Y64 AromaticContact CZ-CE2 3.37Å; Y60-Y64 WeakPolarHBondContact O-CD2 3.39Å; Y60-Y64 PolarHBondContact O-N 3.19Å; D61-Y64 PolarHBondContact O-N 2.93Å; K62-Y64 PolarHBondContact O-N 3.26Å; Y64-P66 WeakPolarHBondContact O-CD 3.36Å; Y64-G93 WeakPolarHBondContact CE2-O 3.38Å; Y64-G93 PolarHBondContact OH-O 3.27Å; Y64-N95 WeakPolarHBondContact CD1-ND2 3.45Å; Y64-N95 WeakPolarHBondContact CE1-ND2 3.38Å
65A98Very high97.9Very high10 Ų1053.1 Ų53.18%0.08328%0.277CS..  trans-66.4121.1178.300000110I37 D61 K62 E67 L68 I69I37-A65 HydrophobicContact CD1-CB 3.65Å; D61-A65 PolarHBondContact O-N 3.42Å; K62-A65 WeakPolarHBondContact O-CB 3.47Å; K62-A65 PolarHBondContact O-N 3.1Å; K62-A65 VanDerWaalsContact O-N 3.13Å; A65-E67 PolarHBondContact O-N 2.99Å; A65-E67 VanDerWaalsContact O-N 3.17Å; A65-L68 HydrophobicContact CB-CB 4.29Å; A65-L68 HydrophobicContact CB-CD1 4.22Å; A65-L68 HydrophobicContact CB-CG 4.26Å; A65-L68 PolarHBondContact O-N 3.3Å; A65-I69 PolarHBondContact O-N 3.05Å
66P98.1Very high97.9Very high82 Ų8251.6 Ų51.653%0.53227%0.27SS..Hα-helixtrans-54.9-37.3-177.2-27.935.7000113.4Y64 L68 I69 N70Y64-P66 WeakPolarHBondContact O-CD 3.36Å; P66-L68 VanDerWaalsContact C-N 3.33Å; P66-L68 PolarHBondContact O-N 3.5Å; P66-I69 PolarHBondContact O-N 3.38Å; P66-N70 WeakPolarHBondContact O-CB 3.24Å; P66-N70 PolarHBondContact O-N 3.17Å; P66-N70 PolarHBondContact O-ND2 3.08Å; P66-N70 VanDerWaalsContact O-ND2 3.15Å
67E98.1Very high98Very high101 Ų10151.6 Ų51.647%0.47227%0.27SS..Hα-helixtrans-63.6-38.4178.8-56.695.8135.800112I37 I41 A65 S71I37-E67 HydrophobicContact CG2-CB 3.91Å; I41-E67 HydrophobicContact CD1-CB 4.1Å; A65-E67 PolarHBondContact O-N 2.99Å; A65-E67 VanDerWaalsContact O-N 3.17Å; E67-S71 WeakPolarHBondContact O-CB 3.45Å; E67-S71 PolarHBondContact O-N 2.65Å; E67-S71 PolarHBondContact O-OG 2.76Å
68L98.3Very high98.1Very high4 Ų449.3 Ų49.32%0.02126%0.256CS..Hα-helixtrans-77.1-38.5177.1-68.2178.8000111.9I37 I40 I41 K62 A65 P66 N70 C72 W77I37-L68 HydrophobicContact CG1-CD1 4.12Å; I37-L68 HydrophobicContact CG1-CG 4.33Å; I37-L68 HydrophobicContact CG2-CD2 3.9Å; I37-L68 HydrophobicContact CG2-CG 3.87Å; I40-L68 HydrophobicContact CB-CD2 3.97Å; I40-L68 HydrophobicContact CD1-CD1 4.29Å; I40-L68 HydrophobicContact CG2-CD2 3.74Å; I41-L68 HydrophobicContact CD1-CD2 4.47Å; I41-L68 HydrophobicContact CG1-CD2 3.79Å; K62-L68 HydrophobicContact CB-CD1 4.05Å; K62-L68 HydrophobicContact CG-CD1 4.46Å; K62-L68 WeakPolarHBondContact O-CD1 3.41Å; A65-L68 HydrophobicContact CB-CB 4.29Å; A65-L68 HydrophobicContact CB-CD1 4.22Å; A65-L68 HydrophobicContact CB-CG 4.26Å; A65-L68 PolarHBondContact O-N 3.3Å; P66-L68 VanDerWaalsContact C-N 3.33Å; P66-L68 PolarHBondContact O-N 3.5Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 3.38Å; L68-C72 CarbonylContact O-C 3.6Å; L68-C72 VanDerWaalsContact O-CA 3.23Å; L68-C72 WeakPolarHBondContact O-CA 3.42Å; L68-C72 VanDerWaalsContact O-CB 3.26Å; L68-C72 WeakPolarHBondContact O-CB 3.26Å; L68-C72 PolarHBondContact O-N 3.2Å; L68-W77 HydrophobicContact CD1-CH2 4.27Å; L68-W77 HydrophobicContact CD1-CZ2 4.01Å
69I98.1Very high98.2Very high79 Ų7946 Ų4641%0.40524%0.241SC..Hα-helixtrans-59.1-45.5174.8-69170.2000110.2A65 P66A65-I69 PolarHBondContact O-N 3.05Å; P66-I69 PolarHBondContact O-N 3.38Å
70N98Very high98.2Very high128 Ų12847.9 Ų47.968%0.68425%0.25SS*.Hα-helixtrans-76.9-41.6-176.6-67-26.3000112.6P66 L68P66-N70 WeakPolarHBondContact O-CB 3.24Å; P66-N70 PolarHBondContact O-N 3.17Å; P66-N70 PolarHBondContact O-ND2 3.08Å; P66-N70 VanDerWaalsContact O-ND2 3.15Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 3.38Å
71S98Very high98.1Very high49 Ų4944.8 Ų44.834%0.34324%0.24SC..Hα-helixtrans-91.1-22.3-173.2-460000113.3Y44 E67 P73Y44-S71 WeakPolarHBondContact CE1-O 3.48Å; E67-S71 WeakPolarHBondContact O-CB 3.45Å; E67-S71 PolarHBondContact O-N 2.65Å; E67-S71 PolarHBondContact O-OG 2.76Å; S71-P73 VanDerWaalsContact C-CD 3.43Å
72C98.3Very high98Very high0 Ų048.7 Ų48.70%025%0.249CC..  trans-130.352.6-172.3-52.70000113.1Y44 L68 D74 I75Y44-C72 HydrophobicContact CD1-CB 4.31Å; Y44-C72 HydrophobicContact CD2-CB 3.57Å; Y44-C72 HydrophobicContact CE1-CB 4.43Å; Y44-C72 HydrophobicContact CE2-CB 3.68Å; Y44-C72 HydrophobicContact CG-CB 3.89Å; Y44-C72 VanDerWaalsContact CZ-CA 3.49Å; L68-C72 CarbonylContact O-C 3.6Å; L68-C72 VanDerWaalsContact O-CA 3.23Å; L68-C72 WeakPolarHBondContact O-CA 3.42Å; L68-C72 VanDerWaalsContact O-CB 3.26Å; L68-C72 WeakPolarHBondContact O-CB 3.26Å; L68-C72 PolarHBondContact O-N 3.2Å; C72-D74 VanDerWaalsContact C-N 3.29Å; C72-D74 PolarHBondContact O-N 2.81Å; C72-D74 VanDerWaalsContact O-N 3.16Å; C72-I75 HydrophobicContact CB-CB 4.15Å; C72-I75 HydrophobicContact CB-CD1 4.42Å; C72-I75 WeakPolarHBondContact O-CB 3.38Å; C72-I75 VanDerWaalsContact O-CG2 3.25Å; C72-I75 WeakPolarHBondContact O-CG2 3.47Å; C72-I75 PolarHBondContact O-N 3.31Å; C72-I75 VanDerWaalsContact O-N 3.11Å
73P97.3Very high97.9Very high83 Ų8347.9 Ų47.954%0.53925%0.245SC..THydrogen-bonded Turntrans-60.7-28.9-169.223.9-36.9000115.3Y44 S71 N96Y44-P73 WeakPolarHBondContact OH-CD 3.44Å; S71-P73 VanDerWaalsContact C-CD 3.43Å; P73-N96 PolarHBondContact O-ND2 3.37Å
74D97.7Very high97.7Very high73 Ų7351.8 Ų51.839%0.3926%0.263SS..THydrogen-bonded Turntrans-106.720.8-18076.1-25.4000113.3Y44 R49 C72Y44-D74 WeakPolarHBondContact CE2-OD1 3.48Å; Y44-D74 PolarHBondContact OH-OD1 3.03Å; R49-D74 WeakPolarHBondContact CD-OD1 3.45Å; R49-D74 WeakPolarHBondContact CD-OD2 3.38Å; R49-D74 IonicContact CZ-OD1 3.71Å; R49-D74 VanDerWaalsContact NE-CG 3.3Å; R49-D74 IonicContact NE-OD1 2.95Å; R49-D74 PolarHBondContact NE-OD1 3.15Å; R49-D74 IonicContact NE-OD2 3.9Å; R49-D74 PolarHBondContact NE-OD2 2.87Å; C72-D74 VanDerWaalsContact C-N 3.29Å; C72-D74 PolarHBondContact O-N 2.81Å; C72-D74 VanDerWaalsContact O-N 3.16Å
75I98.5Very high97.3Very high8 Ų850.5 Ų50.54%0.04127%0.268CS..  trans-53140.9171.8-168.2158.3000110.3I40 F51 C72 W77 N96I40-I75 HydrophobicContact CG2-CD1 3.8Å; F51-I75 HydrophobicContact CB-CD1 4.46Å; F51-I75 HydrophobicContact CD2-CD1 3.54Å; F51-I75 HydrophobicContact CD2-CG1 3.59Å; F51-I75 HydrophobicContact CE2-CD1 3.92Å; F51-I75 HydrophobicContact CE2-CG1 4.09Å; F51-I75 HydrophobicContact CG-CD1 4.12Å; F51-I75 HydrophobicContact CG-CG1 4.45Å; C72-I75 HydrophobicContact CB-CB 4.15Å; C72-I75 HydrophobicContact CB-CD1 4.42Å; C72-I75 WeakPolarHBondContact O-CB 3.38Å; C72-I75 VanDerWaalsContact O-CG2 3.25Å; C72-I75 WeakPolarHBondContact O-CG2 3.47Å; C72-I75 PolarHBondContact O-N 3.31Å; C72-I75 VanDerWaalsContact O-N 3.11Å; I75-W77 HydrophobicContact CD1-CD2 4.33Å; I75-W77 HydrophobicContact CD1-CH2 3.66Å; I75-W77 HydrophobicContact CD1-CZ2 3.38Å; I75-W77 HydrophobicContact CD1-CZ3 4.24Å; I75-W77 HydrophobicContact CG1-CD2 4.37Å; I75-W77 HydrophobicContact CG1-CZ2 4.2Å; I75-N96 HydrophobicContact CG2-CB 4.25Å; I75-N96 WeakPolarHBondContact O-CB 3.37Å; I75-N96 PolarHBondContact O-ND2 2.82Å
76K98.8Very high97.1Very high63 Ų6356.4 Ų56.427%0.27430%0.298SS..EExtended strand (participates in β ladder)trans-117.9108.6179.2-66.9-176.4-179.171.40108.6R49 H50 F51 H78 Y98R49-K76 PolarHBondContact O-N 3.38Å; H50-K76 WeakPolarHBondContact CA-O 3.46Å; H50-K76 WeakPolarHBondContact CE1-CD 3.43Å; F51-K76 PolarHBondContact N-O 3.22Å; K76-H78 PolarHBondContact O-CD2 3.37Å; K76-Y98 HydrophobicContact CB-CD2 4.26Å; K76-Y98 HydrophobicContact CB-CG 3.96Å; K76-Y98 HydrophobicContact CD-CD2 3.72Å; K76-Y98 HydrophobicContact CD-CE2 3.93Å; K76-Y98 HydrophobicContact CD-CG 4.15Å; K76-Y98 HydrophobicContact CG-CD2 4.06Å; K76-Y98 HydrophobicContact CG-CG 4.28Å
77W98.8Very high97Very high2 Ų255.9 Ų55.91%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-86.8135.2-178.1-68.1110.4000112.8I40 F51 E53 L59 K62 L68 I75 V94 N96 L97 Y98 M99I40-W77 HydrophobicContact CD1-CH2 4.02Å; I40-W77 HydrophobicContact CG2-CH2 4.36Å; F51-W77 HydrophobicContact CB-CE3 3.74Å; F51-W77 HydrophobicContact CB-CH2 4.43Å; F51-W77 HydrophobicContact CB-CZ3 3.57Å; F51-W77 HydrophobicContact CG-CZ3 4.46Å; F51-W77 CarbonylContact O-C 3.53Å; E53-W77 HydrophobicContact CG-CE3 4.28Å; E53-W77 HydrophobicContact CG-CZ3 4.03Å; L59-W77 HydrophobicContact CD1-CB 3.65Å; L59-W77 HydrophobicContact CD1-CD2 3.54Å; L59-W77 HydrophobicContact CD1-CE3 3.62Å; L59-W77 HydrophobicContact CD1-CG 3.57Å; L59-W77 HydrophobicContact CD1-CZ3 4.45Å; K62-W77 HydrophobicContact CB-CH2 4.06Å; K62-W77 HydrophobicContact CB-CZ2 4.07Å; K62-W77 HydrophobicContact CD-CH2 4.23Å; L68-W77 HydrophobicContact CD1-CH2 4.27Å; L68-W77 HydrophobicContact CD1-CZ2 4.01Å; I75-W77 HydrophobicContact CD1-CD2 4.33Å; I75-W77 HydrophobicContact CD1-CH2 3.66Å; I75-W77 HydrophobicContact CD1-CZ2 3.38Å; I75-W77 HydrophobicContact CD1-CZ3 4.24Å; I75-W77 HydrophobicContact CG1-CD2 4.37Å; I75-W77 HydrophobicContact CG1-CZ2 4.2Å; W77-V94 HydrophobicContact CB-CG1 4.49Å; W77-N96 PolarHBondContact N-O 3.19Å; W77-L97 HydrophobicContact CB-CD1 4.41Å; W77-Y98 WeakPolarHBondContact O-CA 3.48Å; W77-Y98 WeakPolarHBondContact O-CB 3.44Å; W77-Y98 PolarHBondContact O-N 2.89Å; W77-M99 PolarHBondContact O-N 3.42Å
78H98.8Very high96.8Very high1 Ų151 Ų511%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-113.5126.3172.2-67.9-118000108.5V29 H50 F51 G52 E53 K76 I80 Y98 M99 E101V29-H78 HydrophobicContact CG1-CB 4.05Å; H50-H78 AromaticContact CE1-NE2 3.8Å; H50-H78 AromaticContact CG-NE2 3.63Å; H50-H78 AromaticContact ND1-CD2 3.79Å; H50-H78 AromaticContact ND1-CE1 3.75Å; H50-H78 AromaticContact ND1-NE2 2.8Å; H50-H78 PolarHBondContact ND1-NE2 2.91Å; F51-H78 PolarHBondContact O-N 2.92Å; G52-H78 WeakPolarHBondContact CA-O 3.38Å; E53-H78 PolarHBondContact N-O 2.94Å; K76-H78 PolarHBondContact O-CD2 3.37Å; H78-I80 HydrophobicContact CB-CG2 4.03Å; H78-Y98 AromaticContact CE1-CD1 3.68Å; H78-Y98 AromaticContact NE2-CD1 3.42Å; H78-Y98 WeakPolarHBondContact NE2-CD1 3.22Å; H78-M99 WeakPolarHBondContact CA-O 3.5Å; H78-E101 IonicContact CE1-OE1 2.86Å; H78-E101 IonicContact CG-OE1 3.65Å; H78-E101 IonicContact ND1-OE1 2.66Å; H78-E101 PolarHBondContact ND1-OE1 3.36Å
79F98.7Very high96.8Very high1 Ų157.9 Ų57.90%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-88.6114.6164.7-174.8-107.6000109.3E53 I56 L59 G81 I83 L91 M99 V100 E101E53-F79 WeakPolarHBondContact O-CD2 3.41Å; I56-F79 HydrophobicContact CB-CE2 4.36Å; I56-F79 HydrophobicContact CD1-CE1 4.41Å; I56-F79 HydrophobicContact CD1-CZ 4.11Å; I56-F79 HydrophobicContact CG1-CD2 4.08Å; I56-F79 HydrophobicContact CG1-CE1 4.08Å; I56-F79 HydrophobicContact CG1-CE2 3.44Å; I56-F79 VanDerWaalsContact CG1-CE2 3.44Å; I56-F79 HydrophobicContact CG1-CZ 3.44Å; I56-F79 VanDerWaalsContact CG1-CZ 3.44Å; L59-F79 HydrophobicContact CD2-CB 3.91Å; L59-F79 HydrophobicContact CD2-CD2 4.02Å; L59-F79 HydrophobicContact CD2-CG 4.41Å; F79-G81 WeakPolarHBondContact CE1-O 3.47Å; F79-G81 WeakPolarHBondContact CZ-O 3.47Å; F79-I83 HydrophobicContact CD1-CG1 4.23Å; F79-I83 HydrophobicContact CE1-CG1 3.69Å; F79-L91 HydrophobicContact CB-CD2 3.88Å; F79-L91 HydrophobicContact CD1-CD1 4.09Å; F79-L91 HydrophobicContact CD1-CD2 4.38Å; F79-L91 HydrophobicContact CD2-CD2 4.13Å; F79-L91 HydrophobicContact CG-CD1 4.38Å; F79-L91 HydrophobicContact CG-CD2 3.85Å; F79-M99 PolarHBondContact N-O 2.9Å; F79-V100 HydrophobicContact CB-CG2 4.25Å; F79-V100 HydrophobicContact CD1-CG1 4.15Å; F79-E101 PolarHBondContact O-N 2.85Å
80I98.3Very high96.7Very high38 Ų3857.5 Ų57.520%0.19529%0.286CS..  trans-118.38.8-175.363.3167000112.5V31 E53 H78 E101V31-I80 HydrophobicContact CB-CD1 4.41Å; V31-I80 HydrophobicContact CG1-CD1 3.99Å; V31-I80 HydrophobicContact CG2-CD1 3.65Å; E53-I80 WeakPolarHBondContact O-CG1 3.29Å; E53-I80 PolarHBondContact O-N 3.18Å; H78-I80 HydrophobicContact CB-CG2 4.03Å; I80-E101 HydrophobicContact CG2-CB 4.34Å; I80-E101 HydrophobicContact CG2-CG 4.31Å
81G97.1Very high96.7Very high6 Ų651.4 Ų51.46%0.06225%0.253CS..SBendtrans-93168.8-177.900000113N54 F79 I83 T102N54-G81 WeakPolarHBondContact O-CA 3.36Å; F79-G81 WeakPolarHBondContact CE1-O 3.47Å; F79-G81 WeakPolarHBondContact CZ-O 3.47Å; G81-I83 PolarHBondContact O-N 3.34Å; G81-T102 WeakPolarHBondContact O-CB 3.18Å; G81-T102 VanDerWaalsContact O-CG2 3.27Å; G81-T102 WeakPolarHBondContact O-CG2 3.46Å; G81-T102 PolarHBondContact O-OG1 3.46Å
82R95.4Very high96.7Very high168 Ų16849.4 Ų49.463%0.63424%0.239SC*.PPolyproline II helixtrans-60.8125.7168.7-176.9179177.1143.6-8.2109.5Q84 N139R82-Q84 PolarHBondContact O-N 2.94Å; R82-N139 VanDerWaalsContact CD-OD1 3.29Å; R82-N139 WeakPolarHBondContact CD-OD1 3.41Å; R82-N139 VanDerWaalsContact CZ-OD1 3.31Å; R82-N139 PolarHBondContact NE-OD1 2.94Å; R82-N139 PolarHBondContact NH1-OD1 3.48Å
83I96Very high96.6Very high8 Ų850.7 Ų50.74%0.04125%0.253CS..PPolyproline II helixtrans-66.7130.6173.4-66.3176.8000108.9F79 G81 I88 V100 T102 V103 H108 L112F79-I83 HydrophobicContact CD1-CG1 4.23Å; F79-I83 HydrophobicContact CE1-CG1 3.69Å; G81-I83 PolarHBondContact O-N 3.34Å; I83-I88 HydrophobicContact CD1-CD1 4.3Å; I83-I88 HydrophobicContact CG2-CB 3.81Å; I83-I88 HydrophobicContact CG2-CD1 3.49Å; I83-I88 VanDerWaalsContact CG2-CD1 3.49Å; I83-I88 HydrophobicContact CG2-CG1 3.57Å; I83-V100 HydrophobicContact CD1-CG1 3.98Å; I83-T102 WeakPolarHBondContact CD1-O 3.11Å; I83-V103 HydrophobicContact CD1-CG2 4.31Å; I83-H108 HydrophobicContact CD1-CB 4.22Å; I83-L112 HydrophobicContact CD1-CD1 4.45Å
84Q92.8Very high96.6Very high87 Ų8747 Ų4741%0.40723%0.229SC..  trans-103.7114.2169.8-53.3-173.3-7500106.9R82 N86 K87 I88R82-Q84 PolarHBondContact O-N 2.94Å; Q84-N86 WeakPolarHBondContact CB-OD1 3.46Å; Q84-N86 PolarHBondContact O-N 3.28Å; Q84-N86 VanDerWaalsContact O-N 3.1Å; Q84-K87 HydrophobicContact CB-CB 4.34Å; Q84-K87 HydrophobicContact CB-CD 4.42Å; Q84-K87 HydrophobicContact CB-CG 4.49Å; Q84-K87 CarbonylContact O-C 3.5Å; Q84-K87 WeakPolarHBondContact O-CA 3.41Å; Q84-K87 PolarHBondContact O-N 2.82Å; Q84-K87 VanDerWaalsContact OE1-CD 3.31Å; Q84-I88 PolarHBondContact O-N 2.94Å
85S90Very high96.6Very high69 Ų6946.5 Ų46.548%0.48323%0.226SC..THydrogen-bonded Turntrans-57.3-31.4-170.6-39.70000113K87 I88S85-K87 VanDerWaalsContact C-N 3.25Å; S85-K87 PolarHBondContact O-N 2.65Å; S85-I88 VanDerWaalsContact O-CG2 3.27Å; S85-I88 WeakPolarHBondContact O-CG2 3.5Å
86N94.1Very high96.5Very high134 Ų13450 Ų5072%0.71725%0.245SC*.THydrogen-bonded Turntrans-73.2-11.6175.367.4-25.1000114.6Q84Q84-N86 WeakPolarHBondContact CB-OD1 3.46Å; Q84-N86 PolarHBondContact O-N 3.28Å; Q84-N86 VanDerWaalsContact O-N 3.1Å
87K95.1Very high96.5Very high71 Ų7147.9 Ų47.931%0.30924%0.237SC..THydrogen-bonded Turntrans-118.8-12.2-179.3-63.3-179.3-168170.10113.5I56 V57 Q84 S85 R89 K90I56-K87 HydrophobicContact CB-CB 4.49Å; I56-K87 HydrophobicContact CD1-CB 3.97Å; I56-K87 HydrophobicContact CG2-CB 4.49Å; V57-K87 HydrophobicContact CG2-CD 4.12Å; Q84-K87 HydrophobicContact CB-CB 4.34Å; Q84-K87 HydrophobicContact CB-CD 4.42Å; Q84-K87 HydrophobicContact CB-CG 4.49Å; Q84-K87 CarbonylContact O-C 3.5Å; Q84-K87 WeakPolarHBondContact O-CA 3.41Å; Q84-K87 PolarHBondContact O-N 2.82Å; Q84-K87 VanDerWaalsContact OE1-CD 3.31Å; S85-K87 VanDerWaalsContact C-N 3.25Å; S85-K87 PolarHBondContact O-N 2.65Å; K87-R89 PolarHBondContact O-N 3.13Å; K87-R89 VanDerWaalsContact O-N 3.12Å; K87-K90 VanDerWaalsContact O-CB 3.24Å; K87-K90 WeakPolarHBondContact O-CB 3.4Å; K87-K90 PolarHBondContact O-N 2.61Å
88I95.8Very high96.5Very high0 Ų050.9 Ų50.90%025%0.248CC..G310 helixtrans-53.2-36.7-174.9-163.9-177.9000112.7I83 Q84 S85 K90 L91 H108 I111 L112I83-I88 HydrophobicContact CD1-CD1 4.3Å; I83-I88 HydrophobicContact CG2-CB 3.81Å; I83-I88 HydrophobicContact CG2-CD1 3.49Å; I83-I88 VanDerWaalsContact CG2-CD1 3.49Å; I83-I88 HydrophobicContact CG2-CG1 3.57Å; Q84-I88 PolarHBondContact O-N 2.94Å; S85-I88 VanDerWaalsContact O-CG2 3.27Å; S85-I88 WeakPolarHBondContact O-CG2 3.5Å; I88-K90 PolarHBondContact O-N 3.41Å; I88-K90 VanDerWaalsContact O-N 3.12Å; I88-L91 HydrophobicContact CG1-CD1 4.21Å; I88-L91 VanDerWaalsContact O-CB 3.31Å; I88-L91 WeakPolarHBondContact O-CB 3.4Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-H108 HydrophobicContact CD1-CB 3.88Å; I88-H108 VanDerWaalsContact CD1-O 3.28Å; I88-H108 WeakPolarHBondContact CD1-O 3.43Å; I88-I111 HydrophobicContact CD1-CB 4.46Å; I88-I111 HydrophobicContact CG2-CB 3.86Å; I88-I111 HydrophobicContact CG2-CD1 4.08Å; I88-I111 HydrophobicContact CG2-CG2 3.32Å; I88-L112 HydrophobicContact CD1-CD1 3.93Å; I88-L112 HydrophobicContact CD1-CD2 4.28Å; I88-L112 HydrophobicContact CD1-CG 3.61Å; I88-L112 HydrophobicContact CG1-CD1 4.26Å; I88-L112 HydrophobicContact CG1-CD2 3.83Å; I88-L112 HydrophobicContact CG1-CG 3.74Å
89R97Very high96.5Very high147 Ų14751 Ų5156%0.55525%0.249SC*.G310 helixtrans-57.6-28.4177.3-58.6-167.6-178.7-90.7-0.8113.3K87 L91 A92 I111 T115K87-R89 PolarHBondContact O-N 3.13Å; K87-R89 VanDerWaalsContact O-N 3.12Å; R89-L91 PolarHBondContact O-N 3.11Å; R89-A92 PolarHBondContact O-N 2.95Å; R89-I111 HydrophobicContact CG-CG2 3.57Å; R89-T115 HydrophobicContact CB-CG2 3.94Å; R89-T115 HydrophobicContact CG-CG2 3.7Å; R89-T115 VanDerWaalsContact NH1-CG2 3.26Å
90K97.4Very high96.5Very high71 Ų7151 Ų5131%0.30925%0.249SC..G310 helixtrans-69.2-20.7179.7-169.3167.2179.2178.80112.3I56 Y60 D61 K87 I88 A92 G93I56-K90 HydrophobicContact CG2-CB 3.87Å; I56-K90 HydrophobicContact CG2-CG 4.26Å; Y60-K90 VanDerWaalsContact CB-CE 3.43Å; Y60-K90 HydrophobicContact CD2-CD 4.17Å; Y60-K90 VanDerWaalsContact CD2-CE 3.44Å; Y60-K90 HydrophobicContact CD2-CG 3.54Å; Y60-K90 HydrophobicContact CE2-CG 4.03Å; Y60-K90 HydrophobicContact CG-CD 4.13Å; Y60-K90 HydrophobicContact CG-CG 3.98Å; D61-K90 IonicContact OD1-NZ 3.46Å; K87-K90 VanDerWaalsContact O-CB 3.24Å; K87-K90 WeakPolarHBondContact O-CB 3.4Å; K87-K90 PolarHBondContact O-N 2.61Å; I88-K90 PolarHBondContact O-N 3.41Å; I88-K90 VanDerWaalsContact O-N 3.12Å; K90-A92 VanDerWaalsContact C-N 3.26Å; K90-A92 PolarHBondContact O-N 2.95Å; K90-G93 PolarHBondContact O-N 3.43Å
91L97.7Very high96.5Very high0 Ų050.5 Ų50.50%025%0.246CC..G310 helixtrans-61.7-34.1174.4-72.3167.6000112I56 L59 F79 I88 R89 G93 V94 L97 V100 L112I56-L91 HydrophobicContact CD1-CD1 4.05Å; I56-L91 HydrophobicContact CD1-CG 4.13Å; I56-L91 HydrophobicContact CG1-CD1 4.37Å; I56-L91 HydrophobicContact CG1-CD2 4.15Å; I56-L91 HydrophobicContact CG1-CG 4.16Å; I56-L91 HydrophobicContact CG2-CD2 4.2Å; I56-L91 HydrophobicContact CG2-CG 4.12Å; L59-L91 HydrophobicContact CD2-CD2 3.98Å; F79-L91 HydrophobicContact CB-CD2 3.88Å; F79-L91 HydrophobicContact CD1-CD1 4.09Å; F79-L91 HydrophobicContact CD1-CD2 4.38Å; F79-L91 HydrophobicContact CD2-CD2 4.13Å; F79-L91 HydrophobicContact CG-CD1 4.38Å; F79-L91 HydrophobicContact CG-CD2 3.85Å; I88-L91 HydrophobicContact CG1-CD1 4.21Å; I88-L91 VanDerWaalsContact O-CB 3.31Å; I88-L91 WeakPolarHBondContact O-CB 3.4Å; I88-L91 PolarHBondContact O-N 3.45Å; R89-L91 PolarHBondContact O-N 3.11Å; L91-G93 PolarHBondContact O-N 2.92Å; L91-G93 VanDerWaalsContact O-N 3.15Å; L91-V94 HydrophobicContact CD2-CG2 4.39Å; L91-V94 WeakPolarHBondContact O-CB 3.43Å; L91-V94 PolarHBondContact O-N 3.27Å; L91-L97 HydrophobicContact CB-CD2 4.17Å; L91-L97 WeakPolarHBondContact O-CD2 3.23Å; L91-V100 HydrophobicContact CD1-CG2 4Å; L91-L112 HydrophobicContact CB-CD2 4.04Å; L91-L112 HydrophobicContact CD1-CD2 3.96Å
92A96.4Very high96.5Very high7 Ų750.2 Ų50.26%0.05824%0.243CC..G310 helixtrans-64.8-18.5178.200000114R89 K90 W116 H120R89-A92 PolarHBondContact O-N 2.95Å; K90-A92 VanDerWaalsContact C-N 3.26Å; K90-A92 PolarHBondContact O-N 2.95Å; A92-W116 HydrophobicContact CB-CE3 4.21Å; A92-H120 PolarHBondContact O-NE2 2.96Å
93G96.7Very high96.7Very high28 Ų2842.2 Ų42.229%0.28921%0.213SC..G310 helixtrans-97.33.8174.400000114.2Y64 K90 L91 N95Y64-G93 WeakPolarHBondContact CE2-O 3.38Å; Y64-G93 PolarHBondContact OH-O 3.27Å; K90-G93 PolarHBondContact O-N 3.43Å; L91-G93 PolarHBondContact O-N 2.92Å; L91-G93 VanDerWaalsContact O-N 3.15Å; G93-N95 PolarHBondContact O-N 3.15Å
94V98Very high96.7Very high4 Ų443.4 Ų43.42%0.02422%0.219CC..  trans-75117.6178.5171.40000109.2L59 Y60 W77 L91 N96 L97L59-V94 HydrophobicContact CD1-CG1 3.96Å; L59-V94 HydrophobicContact CD2-CG1 4.15Å; L59-V94 HydrophobicContact CD2-CG2 4.25Å; L59-V94 HydrophobicContact CG-CG1 3.77Å; L59-V94 HydrophobicContact CG-CG2 4.01Å; Y60-V94 HydrophobicContact CD2-CG2 4.28Å; W77-V94 HydrophobicContact CB-CG1 4.49Å; L91-V94 HydrophobicContact CD2-CG2 4.39Å; L91-V94 WeakPolarHBondContact O-CB 3.43Å; L91-V94 PolarHBondContact O-N 3.27Å; V94-N96 PolarHBondContact O-N 3.2Å; V94-L97 HydrophobicContact CB-CB 3.99Å; V94-L97 HydrophobicContact CG1-CB 3.9Å; V94-L97 HydrophobicContact CG1-CD1 4.17Å; V94-L97 PolarHBondContact O-N 2.83Å
95N97.1Very high96.9Very high63 Ų6340.7 Ų40.734%0.33721%0.21SC..THydrogen-bonded Turntrans-61.6137173.9-74.6-20.1000110.2S63 Y64 G93 L97S63-N95 WeakPolarHBondContact O-CB 3.34Å; S63-N95 PolarHBondContact O-ND2 3.38Å; S63-N95 PolarHBondContact OG-N 3.41Å; Y64-N95 WeakPolarHBondContact CD1-ND2 3.45Å; Y64-N95 WeakPolarHBondContact CE1-ND2 3.38Å; G93-N95 PolarHBondContact O-N 3.15Å; N95-L97 PolarHBondContact O-N 2.97Å
96N97.6Very high97.3Very high83 Ų8338.7 Ų38.744%0.44419%0.193SC..THydrogen-bonded Turntrans53.732-177.7-60.7-14.9000114.5P73 I75 W77 V94 Y98P73-N96 PolarHBondContact O-ND2 3.37Å; I75-N96 HydrophobicContact CG2-CB 4.25Å; I75-N96 WeakPolarHBondContact O-CB 3.37Å; I75-N96 PolarHBondContact O-ND2 2.82Å; W77-N96 PolarHBondContact N-O 3.19Å; V94-N96 PolarHBondContact O-N 3.2Å; N96-Y98 PolarHBondContact O-N 2.89Å; N96-Y98 VanDerWaalsContact O-N 3.16Å
97L98.5Very high97.5Very high17 Ų1737.5 Ų37.59%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-62.5117.8167.6-173.165.3000109.3L59 W77 L91 V94 N95 V100 W116 L124L59-L97 HydrophobicContact CD2-CD1 4.12Å; W77-L97 HydrophobicContact CB-CD1 4.41Å; L91-L97 HydrophobicContact CB-CD2 4.17Å; L91-L97 WeakPolarHBondContact O-CD2 3.23Å; V94-L97 HydrophobicContact CB-CB 3.99Å; V94-L97 HydrophobicContact CG1-CB 3.9Å; V94-L97 HydrophobicContact CG1-CD1 4.17Å; V94-L97 PolarHBondContact O-N 2.83Å; N95-L97 PolarHBondContact O-N 2.97Å; L97-V100 HydrophobicContact CD2-CG2 4.07Å; L97-W116 HydrophobicContact CB-CH2 4.17Å; L97-W116 HydrophobicContact CB-CZ3 4.22Å; L97-W116 HydrophobicContact CD2-CH2 4.39Å; L97-W116 HydrophobicContact CD2-CZ3 3.78Å; L97-W116 HydrophobicContact CG-CZ3 4.47Å; L97-L124 HydrophobicContact CD2-CD1 3.9Å; L97-L124 HydrophobicContact CD2-CD2 4.09Å; L97-L124 HydrophobicContact CG-CD1 4.01Å
98Y98.5Very high97.6Very high65 Ų6535 Ų3526%0.25518%0.176SC..EExtended strand (participates in β ladder)trans-97.6-37.7-178.9-177.1-97.8000111.9R27 H50 K76 W77 H78 N96 N125R27-Y98 PolarHBondContact NH2-OH 3.07Å; H50-Y98 AromaticContact CE1-CD1 3.96Å; H50-Y98 AromaticContact CE1-CE1 3.74Å; K76-Y98 HydrophobicContact CB-CD2 4.26Å; K76-Y98 HydrophobicContact CB-CG 3.96Å; K76-Y98 HydrophobicContact CD-CD2 3.72Å; K76-Y98 HydrophobicContact CD-CE2 3.93Å; K76-Y98 HydrophobicContact CD-CG 4.15Å; K76-Y98 HydrophobicContact CG-CD2 4.06Å; K76-Y98 HydrophobicContact CG-CG 4.28Å; W77-Y98 WeakPolarHBondContact O-CA 3.48Å; W77-Y98 WeakPolarHBondContact O-CB 3.44Å; W77-Y98 PolarHBondContact O-N 2.89Å; H78-Y98 AromaticContact CE1-CD1 3.68Å; H78-Y98 AromaticContact NE2-CD1 3.42Å; H78-Y98 WeakPolarHBondContact NE2-CD1 3.22Å; N96-Y98 PolarHBondContact O-N 2.89Å; N96-Y98 VanDerWaalsContact O-N 3.16Å; Y98-N125 PolarHBondContact O-ND2 3.32Å
99M98.4Very high97.7Very high4 Ų435 Ų352%0.0218%0.176CC..EExtended strand (participates in β ladder)trans-157.8147.2-176.3-167.6173.5-6300113.7W77 H78 F79 E101 N125 M127 V163W77-M99 PolarHBondContact O-N 3.42Å; H78-M99 WeakPolarHBondContact CA-O 3.5Å; F79-M99 PolarHBondContact N-O 2.9Å; M99-E101 HydrophobicContact CG-CG 3.94Å; M99-E101 HydrophobicContact SD-CG 3.79Å; M99-N125 VanDerWaalsContact CA-O 3.26Å; M99-N125 WeakPolarHBondContact CA-O 3.34Å; M99-N125 HydrophobicContact CB-CB 4.43Å; M99-N125 HydrophobicContact CE-CB 3.94Å; M99-N125 HydrophobicContact CG-CB 4.19Å; M99-N125 WeakPolarHBondContact CG-O 3.45Å; M99-M127 HydrophobicContact CE-CE 4.32Å; M99-M127 HydrophobicContact SD-CE 3.69Å; M99-M127 HydrophobicContact SD-CG 3.78Å; M99-M127 HydrophobicContact SD-SD 4.01Å; M99-V163 HydrophobicContact CE-CG2 3.48Å; M99-V163 VanDerWaalsContact CE-CG2 3.48Å; M99-V163 HydrophobicContact SD-CG2 4.05Å
100V98.7Very high97.8Very high0 Ų032.1 Ų32.10%017%0.169CC..EExtended strand (participates in β ladder)trans-110.6115.1163175.50000108.8F79 I83 L91 L97 V103 L112 L124 N125 I126 M127F79-V100 HydrophobicContact CB-CG2 4.25Å; F79-V100 HydrophobicContact CD1-CG1 4.15Å; I83-V100 HydrophobicContact CD1-CG1 3.98Å; L91-V100 HydrophobicContact CD1-CG2 4Å; L97-V100 HydrophobicContact CD2-CG2 4.07Å; V100-V103 HydrophobicContact CG1-CG2 3.93Å; V100-L112 HydrophobicContact CG1-CD1 4.17Å; V100-L124 HydrophobicContact CG2-CD2 3.93Å; V100-N125 PolarHBondContact N-O 2.79Å; V100-N125 VanDerWaalsContact N-O 3.11Å; V100-I126 HydrophobicContact CB-CG2 4.22Å; V100-I126 CarbonylContact O-C 3.57Å; V100-I126 WeakPolarHBondContact O-CA 3.3Å; V100-M127 PolarHBondContact O-N 2.95Å
101E98.5Very high97.8Very high28 Ų2830.3 Ų30.313%0.13116%0.163CC..EExtended strand (participates in β ladder)trans-94-2.8-171.2-64.8-175.3-15300114.2H78 F79 I80 M99 M127 M166H78-E101 IonicContact CE1-OE1 2.86Å; H78-E101 IonicContact CG-OE1 3.65Å; H78-E101 IonicContact ND1-OE1 2.66Å; H78-E101 PolarHBondContact ND1-OE1 3.36Å; F79-E101 PolarHBondContact O-N 2.85Å; I80-E101 HydrophobicContact CG2-CB 4.34Å; I80-E101 HydrophobicContact CG2-CG 4.31Å; M99-E101 HydrophobicContact CG-CG 3.94Å; M99-E101 HydrophobicContact SD-CG 3.79Å; E101-M127 CarbonylContact C-O 3.54Å; E101-M127 HydrophobicContact CB-CB 4.45Å; E101-M127 HydrophobicContact CG-CG 4.49Å; E101-M127 HydrophobicContact CG-SD 4.15Å; E101-M166 HydrophobicContact CB-CB 4.45Å; E101-M166 HydrophobicContact CB-CE 4.44Å; E101-M166 HydrophobicContact CB-CG 4.25Å; E101-M166 VanDerWaalsContact O-CB 3.25Å; E101-M166 WeakPolarHBondContact O-CB 3.19Å
102T97.8Very high97.8Very high1 Ų130.4 Ų30.41%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-120.229.3-16650.30000114.1G81 I83 D104 M166G81-T102 WeakPolarHBondContact O-CB 3.18Å; G81-T102 VanDerWaalsContact O-CG2 3.27Å; G81-T102 WeakPolarHBondContact O-CG2 3.46Å; G81-T102 PolarHBondContact O-OG1 3.46Å; I83-T102 WeakPolarHBondContact CD1-O 3.11Å; T102-D104 PolarHBondContact O-N 3.13Å; T102-M166 HydrophobicContact CG2-CE 3.37Å
103V98.2Very high97.9Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-74.4120.1174.9-178.30000109I83 V100 H108 A109 L112 I126 M127 I128 Q129 I153I83-V103 HydrophobicContact CD1-CG2 4.31Å; V100-V103 HydrophobicContact CG1-CG2 3.93Å; V103-H108 HydrophobicContact CG1-CB 4.17Å; V103-A109 HydrophobicContact CG1-CB 4.2Å; V103-L112 HydrophobicContact CG2-CD1 3.86Å; V103-I126 HydrophobicContact CB-CD1 4.2Å; V103-I126 HydrophobicContact CG1-CD1 4.2Å; V103-I126 HydrophobicContact CG2-CB 3.99Å; V103-I126 HydrophobicContact CG2-CD1 3.95Å; V103-I126 HydrophobicContact CG2-CG2 4.12Å; V103-M127 PolarHBondContact N-O 2.65Å; V103-I128 CarbonylContact O-C 3.55Å; V103-I128 VanDerWaalsContact O-CA 3.22Å; V103-I128 WeakPolarHBondContact O-CA 3.13Å; V103-Q129 PolarHBondContact O-N 3.38Å; V103-I153 HydrophobicContact CG1-CD1 4.18Å
104D96.8Very high97.9Very high32 Ų3232.5 Ų32.517%0.17117%0.171CC..  trans-135.118.7-177.465.1-6.3000112.9T102 H108 Q129 G140 I141T102-D104 PolarHBondContact O-N 3.13Å; D104-H108 IonicContact OD1-CE1 2.69Å; D104-H108 PolarHBondContact OD1-CE1 2.92Å; D104-H108 IonicContact OD1-CG 2.75Å; D104-H108 IonicContact OD1-ND1 3.96Å; D104-H108 PolarHBondContact OD1-ND1 3.11Å; D104-Q129 HydrophobicContact CB-CB 4.42Å; D104-G140 PolarHBondContact OD2-N 3.15Å; D104-I141 HydrophobicContact CB-CG2 4.15Å; D104-I141 WeakPolarHBondContact O-CG2 3.43Å
105S97.2Very high97.9Very high30 Ų3032.9 Ų32.921%0.2117%0.173CC..SBendtrans-159.7159.8173.663.30000111.5D107 H108 A109S105-D107 VanDerWaalsContact C-N 3.3Å; S105-H108 PolarHBondContact O-N 3.46Å; S105-H108 WeakPolarHBondContact OG-CB 3.43Å; S105-H108 PolarHBondContact OG-CD2 2.89Å; S105-H108 PolarHBondContact OG-N 3.36Å; S105-H108 VanDerWaalsContact OG-N 3.09Å; S105-H108 PolarHBondContact OG-ND1 2.93Å; S105-A109 PolarHBondContact O-N 2.68Å; S105-A109 VanDerWaalsContact O-N 3.13Å
106M97.7Very high97.9Very high27 Ų2730.7 Ų30.713%0.13316%0.16CC..Hα-helixtrans-64.9-35.1170-80.3-56.2-61.900111.9H108 A109 E110 L149 Q152 I153 K156M106-H108 VanDerWaalsContact C-N 3.3Å; M106-H108 PolarHBondContact O-N 2.81Å; M106-A109 CarbonylContact O-C 3.55Å; M106-A109 PolarHBondContact O-N 3.05Å; M106-A109 VanDerWaalsContact O-N 3.12Å; M106-A109 HydrophobicContact SD-CB 4.48Å; M106-E110 HydrophobicContact CE-CG 4.05Å; M106-E110 WeakPolarHBondContact O-CB 3.48Å; M106-E110 WeakPolarHBondContact O-CG 3.24Å; M106-E110 PolarHBondContact O-N 3.35Å; M106-L149 HydrophobicContact CB-CD1 4.41Å; M106-L149 HydrophobicContact CG-CD1 3.62Å; M106-L149 HydrophobicContact SD-CD1 3.61Å; M106-Q152 HydrophobicContact CE-CB 3.9Å; M106-Q152 HydrophobicContact CG-CB 4.05Å; M106-Q152 HydrophobicContact SD-CB 3.38Å; M106-Q152 WeakPolarHBondContact SD-CB 3.42Å; M106-I153 HydrophobicContact SD-CG1 3.68Å; M106-K156 HydrophobicContact CE-CB 4.3Å; M106-K156 HydrophobicContact CE-CD 3.83Å
107D97.5Very high97.9Very high109 Ų10928.2 Ų28.258%0.58316%0.155SC*.Hα-helixtrans-59-42.8175-67.6-4.6000111.5S105 I111S105-D107 VanDerWaalsContact C-N 3.3Å; D107-I111 WeakPolarHBondContact O-CD1 3.43Å; D107-I111 WeakPolarHBondContact O-CG1 3.42Å; D107-I111 PolarHBondContact O-N 2.91Å
108H97.8Very high97.9Very high18 Ų1833.9 Ų33.98%0.08318%0.184CC..Hα-helixtrans-62.1-47174.1-68.4167.4000111.5I83 I88 V103 D104 S105 M106 L112I83-H108 HydrophobicContact CD1-CB 4.22Å; I88-H108 HydrophobicContact CD1-CB 3.88Å; I88-H108 VanDerWaalsContact CD1-O 3.28Å; I88-H108 WeakPolarHBondContact CD1-O 3.43Å; V103-H108 HydrophobicContact CG1-CB 4.17Å; D104-H108 IonicContact OD1-CE1 2.69Å; D104-H108 PolarHBondContact OD1-CE1 2.92Å; D104-H108 IonicContact OD1-CG 2.75Å; D104-H108 IonicContact OD1-ND1 3.96Å; D104-H108 PolarHBondContact OD1-ND1 3.11Å; S105-H108 PolarHBondContact O-N 3.46Å; S105-H108 WeakPolarHBondContact OG-CB 3.43Å; S105-H108 PolarHBondContact OG-CD2 2.89Å; S105-H108 PolarHBondContact OG-N 3.36Å; S105-H108 VanDerWaalsContact OG-N 3.09Å; S105-H108 PolarHBondContact OG-ND1 2.93Å; M106-H108 VanDerWaalsContact C-N 3.3Å; M106-H108 PolarHBondContact O-N 2.81Å; H108-L112 WeakPolarHBondContact O-CB 3.3Å; H108-L112 WeakPolarHBondContact O-CG 3.39Å; H108-L112 PolarHBondContact O-N 3.37Å
109A98.2Very high97.6Very high0 Ų036.8 Ų36.80%020%0.204CC..Hα-helixtrans-63.6-46.6-179.600000112.4V103 S105 M106 I111 L112 N113 I153 L160V103-A109 HydrophobicContact CG1-CB 4.2Å; S105-A109 PolarHBondContact O-N 2.68Å; S105-A109 VanDerWaalsContact O-N 3.13Å; M106-A109 CarbonylContact O-C 3.55Å; M106-A109 PolarHBondContact O-N 3.05Å; M106-A109 VanDerWaalsContact O-N 3.12Å; M106-A109 HydrophobicContact SD-CB 4.48Å; A109-I111 PolarHBondContact O-N 2.95Å; A109-L112 PolarHBondContact O-N 3.02Å; A109-N113 WeakPolarHBondContact O-CB 3.19Å; A109-N113 PolarHBondContact O-N 2.86Å; A109-I153 HydrophobicContact CB-CD1 3.86Å; A109-I153 HydrophobicContact CB-CG1 3.66Å; A109-L160 HydrophobicContact CB-CD1 4.07Å; A109-L160 VanDerWaalsContact O-CD1 3.3Å; A109-L160 WeakPolarHBondContact O-CD1 3.28Å
110E98.2Very high97.5Very high87 Ų8739.6 Ų39.641%0.40722%0.217SC..Hα-helixtrans-65-40.7-178.5-72.3-179.3173.100112.1M106 S114M106-E110 HydrophobicContact CE-CG 4.05Å; M106-E110 WeakPolarHBondContact O-CB 3.48Å; M106-E110 WeakPolarHBondContact O-CG 3.24Å; M106-E110 PolarHBondContact O-N 3.35Å; E110-S114 WeakPolarHBondContact O-CB 3.31Å; E110-S114 PolarHBondContact O-N 3.48Å; E110-S114 PolarHBondContact O-OG 3.12Å
111I98Very high97.4Very high34 Ų3449.2 Ų49.217%0.17426%0.262CS..Hα-helixtrans-67.8-43.6176.8-58.5165.5000110.6I88 R89 D107 A109 S114 T115I88-I111 HydrophobicContact CD1-CB 4.46Å; I88-I111 HydrophobicContact CG2-CB 3.86Å; I88-I111 HydrophobicContact CG2-CD1 4.08Å; I88-I111 HydrophobicContact CG2-CG2 3.32Å; R89-I111 HydrophobicContact CG-CG2 3.57Å; D107-I111 WeakPolarHBondContact O-CD1 3.43Å; D107-I111 WeakPolarHBondContact O-CG1 3.42Å; D107-I111 PolarHBondContact O-N 2.91Å; A109-I111 PolarHBondContact O-N 2.95Å; I111-S114 PolarHBondContact O-OG 3.12Å; I111-S114 VanDerWaalsContact O-OG 3.11Å; I111-T115 HydrophobicContact CG2-CG2 4.42Å; I111-T115 WeakPolarHBondContact O-CB 3.26Å; I111-T115 WeakPolarHBondContact O-CG2 3.44Å; I111-T115 PolarHBondContact O-N 2.77Å; I111-T115 PolarHBondContact O-OG1 2.87Å
112L97.8Very high97.3Very high1 Ų154.3 Ų54.31%0.00529%0.289CS..Hα-helixtrans-62.3-47.9175.1-78.6168000111.6I83 I88 L91 V100 V103 H108 A109 S114 T115 W116 L124 L160I83-L112 HydrophobicContact CD1-CD1 4.45Å; I88-L112 HydrophobicContact CD1-CD1 3.93Å; I88-L112 HydrophobicContact CD1-CD2 4.28Å; I88-L112 HydrophobicContact CD1-CG 3.61Å; I88-L112 HydrophobicContact CG1-CD1 4.26Å; I88-L112 HydrophobicContact CG1-CD2 3.83Å; I88-L112 HydrophobicContact CG1-CG 3.74Å; L91-L112 HydrophobicContact CB-CD2 4.04Å; L91-L112 HydrophobicContact CD1-CD2 3.96Å; V100-L112 HydrophobicContact CG1-CD1 4.17Å; V103-L112 HydrophobicContact CG2-CD1 3.86Å; H108-L112 WeakPolarHBondContact O-CB 3.3Å; H108-L112 WeakPolarHBondContact O-CG 3.39Å; H108-L112 PolarHBondContact O-N 3.37Å; A109-L112 PolarHBondContact O-N 3.02Å; L112-S114 PolarHBondContact O-N 3.2Å; L112-T115 PolarHBondContact O-N 3.07Å; L112-T115 PolarHBondContact O-OG1 3.4Å; L112-W116 WeakPolarHBondContact O-CB 3.18Å; L112-W116 PolarHBondContact O-N 3.38Å; L112-L124 HydrophobicContact CD2-CD2 4.45Å; L112-L160 HydrophobicContact CB-CD1 4.2Å; L112-L160 HydrophobicContact CB-CD2 4.05Å
113N98.4Very high97.3Very high21 Ų2156.9 Ų56.911%0.11231%0.306CS..Hα-helixtrans-57.5-50.1-179.617764.4000112.1A109 G117 C157 N159 L160A109-N113 WeakPolarHBondContact O-CB 3.19Å; A109-N113 PolarHBondContact O-N 2.86Å; N113-G117 PolarHBondContact O-N 2.82Å; N113-G117 VanDerWaalsContact O-N 3.15Å; N113-C157 HydrophobicContact CB-CB 3.81Å; N113-C157 VanDerWaalsContact CG-CA 3.41Å; N113-C157 VanDerWaalsContact OD1-CA 3.22Å; N113-C157 WeakPolarHBondContact OD1-CA 3.48Å; N113-N159 WeakPolarHBondContact O-CB 3.38Å; N113-N159 PolarHBondContact O-ND2 3.1Å; N113-N159 WeakPolarHBondContact OD1-CA 3.22Å; N113-N159 VanDerWaalsContact OD1-CB 3.23Å; N113-N159 WeakPolarHBondContact OD1-CB 3.45Å; N113-N159 PolarHBondContact OD1-N 2.78Å; N113-N159 PolarHBondContact OD1-ND2 2.95Å; N113-L160 HydrophobicContact CB-CD1 3.93Å; N113-L160 HydrophobicContact CB-CG 3.91Å
114S97.8Very high97.3Very high58 Ų5857 Ų5741%0.40631%0.307SS..Hα-helixtrans-66.2-43.9-179.555.80000111.6E110 I111 L112 L118E110-S114 WeakPolarHBondContact O-CB 3.31Å; E110-S114 PolarHBondContact O-N 3.48Å; E110-S114 PolarHBondContact O-OG 3.12Å; I111-S114 PolarHBondContact O-OG 3.12Å; I111-S114 VanDerWaalsContact O-OG 3.11Å; L112-S114 PolarHBondContact O-N 3.2Å; S114-L118 WeakPolarHBondContact O-CG 3.45Å
115T97.3Very high97.4Very high12 Ų1257.3 Ų57.37%0.07431%0.308CS..Hα-helixtrans-75-35.3-178.352.80000114.1R89 I111 L112R89-T115 HydrophobicContact CB-CG2 3.94Å; R89-T115 HydrophobicContact CG-CG2 3.7Å; R89-T115 VanDerWaalsContact NH1-CG2 3.26Å; I111-T115 HydrophobicContact CG2-CG2 4.42Å; I111-T115 WeakPolarHBondContact O-CB 3.26Å; I111-T115 WeakPolarHBondContact O-CG2 3.44Å; I111-T115 PolarHBondContact O-N 2.77Å; I111-T115 PolarHBondContact O-OG1 2.87Å; L112-T115 PolarHBondContact O-N 3.07Å; L112-T115 PolarHBondContact O-OG1 3.4Å
116W98Very high97.5Very high17 Ų1755.9 Ų55.96%0.06430%0.298CS..Hα-helixtrans-65.6-45.6175.8-170-99.2000111.2A92 L97 L112 L118 N119 H120 I122 L124A92-W116 HydrophobicContact CB-CE3 4.21Å; L97-W116 HydrophobicContact CB-CH2 4.17Å; L97-W116 HydrophobicContact CB-CZ3 4.22Å; L97-W116 HydrophobicContact CD2-CH2 4.39Å; L97-W116 HydrophobicContact CD2-CZ3 3.78Å; L97-W116 HydrophobicContact CG-CZ3 4.47Å; L112-W116 WeakPolarHBondContact O-CB 3.18Å; L112-W116 PolarHBondContact O-N 3.38Å; W116-L118 PolarHBondContact O-N 2.65Å; W116-L118 VanDerWaalsContact O-N 3.08Å; W116-N119 PolarHBondContact O-N 3.16Å; W116-N119 VanDerWaalsContact O-N 3.17Å; W116-H120 HydrophobicContact CD2-CB 4.07Å; W116-H120 AromaticContact CD2-CD2 3.49Å; W116-H120 VanDerWaalsContact CD2-CD2 3.49Å; W116-H120 AromaticContact CD2-CG 3.84Å; W116-H120 AromaticContact CE2-CD2 3.63Å; W116-H120 AromaticContact CE2-CG 3.47Å; W116-H120 VanDerWaalsContact CE2-CG 3.47Å; W116-H120 AromaticContact CE3-CD2 3.63Å; W116-H120 AromaticContact CE3-NE2 3.87Å; W116-H120 HydrophobicContact CG-CB 4.18Å; W116-H120 AromaticContact CH2-CD2 3.99Å; W116-H120 AromaticContact CH2-CE1 3.8Å; W116-H120 AromaticContact CH2-ND1 3.95Å; W116-H120 AromaticContact CH2-NE2 3.82Å; W116-H120 HydrophobicContact CZ2-CB 4Å; W116-H120 AromaticContact CZ2-CD2 3.9Å; W116-H120 AromaticContact CZ2-CG 3.61Å; W116-H120 AromaticContact CZ2-ND1 3.73Å; W116-H120 AromaticContact CZ3-CD2 3.86Å; W116-H120 AromaticContact CZ3-NE2 3.67Å; W116-H120 VanDerWaalsContact NE1-CB 3.3Å; W116-H120 AromaticContact NE1-CG 3.82Å; W116-H120 WeakPolarHBondContact O-CB 3.38Å; W116-H120 PolarHBondContact O-CD2 3.27Å; W116-H120 PolarHBondContact O-N 2.86Å; W116-I122 PolarHBondContact NE1-O 2.76Å; W116-L124 HydrophobicContact CD2-CB 3.72Å; W116-L124 HydrophobicContact CD2-CD2 4.14Å; W116-L124 HydrophobicContact CD2-CG 4.36Å; W116-L124 HydrophobicContact CE3-CB 4.27Å; W116-L124 HydrophobicContact CE3-CD1 4.41Å; W116-L124 HydrophobicContact CE3-CD2 3.89Å; W116-L124 HydrophobicContact CE3-CG 4.42Å; W116-L124 HydrophobicContact CG-CB 3.94Å; W116-L124 HydrophobicContact CH2-CD1 3.91Å; W116-L124 HydrophobicContact CZ2-CB 4.11Å; W116-L124 HydrophobicContact CZ2-CD1 4.03Å; W116-L124 HydrophobicContact CZ3-CD1 4.11Å; W116-L124 HydrophobicContact CZ3-CD2 4.28Å
117G97.6Very high97.5Very high32 Ų3256.5 Ų56.533%0.3330%0.301SS..THydrogen-bonded Turntrans-64.2-13.3-178.800000115.8N113 N119 N159N113-G117 PolarHBondContact O-N 2.82Å; N113-G117 VanDerWaalsContact O-N 3.15Å; G117-N119 VanDerWaalsContact C-N 3.34Å; G117-N159 WeakPolarHBondContact CA-ND2 3.41Å
118L96.9Very high97.5Very high135 Ų13551.3 Ų51.371%0.70727%0.273SS*.THydrogen-bonded Turntrans-71-30.6175.3-67.7173.4000112.7S114 W116S114-L118 WeakPolarHBondContact O-CG 3.45Å; W116-L118 PolarHBondContact O-N 2.65Å; W116-L118 VanDerWaalsContact O-N 3.08Å
119N93.5Very high97.5Very high126 Ų12650.7 Ų50.767%0.67427%0.27SS*.THydrogen-bonded Turntrans-128.8-10.5-168.5-59.3-56.7000113.9W116 G117W116-N119 PolarHBondContact O-N 3.16Å; W116-N119 VanDerWaalsContact O-N 3.17Å; G117-N119 VanDerWaalsContact C-N 3.34Å
120H96.6Very high97.4Very high63 Ų6350.7 Ų50.729%0.29227%0.271SS..  trans-126135.8-173.7-60.6-82.5000111.2A92 W116A92-H120 PolarHBondContact O-NE2 2.96Å; W116-H120 HydrophobicContact CD2-CB 4.07Å; W116-H120 AromaticContact CD2-CD2 3.49Å; W116-H120 VanDerWaalsContact CD2-CD2 3.49Å; W116-H120 AromaticContact CD2-CG 3.84Å; W116-H120 AromaticContact CE2-CD2 3.63Å; W116-H120 AromaticContact CE2-CG 3.47Å; W116-H120 VanDerWaalsContact CE2-CG 3.47Å; W116-H120 AromaticContact CE3-CD2 3.63Å; W116-H120 AromaticContact CE3-NE2 3.87Å; W116-H120 HydrophobicContact CG-CB 4.18Å; W116-H120 AromaticContact CH2-CD2 3.99Å; W116-H120 AromaticContact CH2-CE1 3.8Å; W116-H120 AromaticContact CH2-ND1 3.95Å; W116-H120 AromaticContact CH2-NE2 3.82Å; W116-H120 HydrophobicContact CZ2-CB 4Å; W116-H120 AromaticContact CZ2-CD2 3.9Å; W116-H120 AromaticContact CZ2-CG 3.61Å; W116-H120 AromaticContact CZ2-ND1 3.73Å; W116-H120 AromaticContact CZ3-CD2 3.86Å; W116-H120 AromaticContact CZ3-NE2 3.67Å; W116-H120 VanDerWaalsContact NE1-CB 3.3Å; W116-H120 AromaticContact NE1-CG 3.82Å; W116-H120 WeakPolarHBondContact O-CB 3.38Å; W116-H120 PolarHBondContact O-CD2 3.27Å; W116-H120 PolarHBondContact O-N 2.86Å
121Q95Very high97.3Very high202 Ų20247.6 Ų47.694%0.94426%0.257SS*.SBendtrans-91.5-21.6177.6-63.3179.34.300113
122I97.4Very high97Very high135 Ų13546.2 Ų46.269%0.69225%0.25SC*.SBendtrans-98.1130.5-179.6-60.2175.4000108.3W116W116-I122 PolarHBondContact NE1-O 2.76Å
123P98.2Very high96.5Very high56 Ų5647.1 Ų47.136%0.36426%0.257SS..PPolyproline II helixtrans-57.2138.7177-27.535.6000113.2N159 K161P123-N159 CarbonylContact C-O 3.59Å; P123-N159 VanDerWaalsContact CA-O 3.24Å; P123-N159 WeakPolarHBondContact CA-O 3.26Å; P123-K161 HydrophobicContact CB-CB 4.18Å
124L98.6Very high95.8Very high3 Ų348.9 Ų48.92%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-72.1128.1174.717859.2000109.9L97 V100 L112 W116 I126 N159 L160 K161L97-L124 HydrophobicContact CD2-CD1 3.9Å; L97-L124 HydrophobicContact CD2-CD2 4.09Å; L97-L124 HydrophobicContact CG-CD1 4.01Å; V100-L124 HydrophobicContact CG2-CD2 3.93Å; L112-L124 HydrophobicContact CD2-CD2 4.45Å; W116-L124 HydrophobicContact CD2-CB 3.72Å; W116-L124 HydrophobicContact CD2-CD2 4.14Å; W116-L124 HydrophobicContact CD2-CG 4.36Å; W116-L124 HydrophobicContact CE3-CB 4.27Å; W116-L124 HydrophobicContact CE3-CD1 4.41Å; W116-L124 HydrophobicContact CE3-CD2 3.89Å; W116-L124 HydrophobicContact CE3-CG 4.42Å; W116-L124 HydrophobicContact CG-CB 3.94Å; W116-L124 HydrophobicContact CH2-CD1 3.91Å; W116-L124 HydrophobicContact CZ2-CB 4.11Å; W116-L124 HydrophobicContact CZ2-CD1 4.03Å; W116-L124 HydrophobicContact CZ3-CD1 4.11Å; W116-L124 HydrophobicContact CZ3-CD2 4.28Å; L124-I126 HydrophobicContact CD2-CG2 4.36Å; L124-I126 HydrophobicContact CG-CG2 4.18Å; L124-I126 PolarHBondContact O-N 3.45Å; L124-N159 PolarHBondContact N-O 3.33Å; L124-L160 HydrophobicContact CB-CD2 3.94Å; L124-L160 HydrophobicContact CD2-CD2 4.33Å; L124-L160 CarbonylContact O-C 3.6Å; L124-L160 WeakPolarHBondContact O-CA 3.4Å; L124-K161 PolarHBondContact O-N 3.3Å
125N98.6Very high95.2Very high37 Ų3748.9 Ų48.920%0.19827%0.273CS..EExtended strand (participates in β ladder)trans-68134.1170.5-57-58.6000109.9Y98 M99 V100 K161 V163Y98-N125 PolarHBondContact O-ND2 3.32Å; M99-N125 VanDerWaalsContact CA-O 3.26Å; M99-N125 WeakPolarHBondContact CA-O 3.34Å; M99-N125 HydrophobicContact CB-CB 4.43Å; M99-N125 HydrophobicContact CE-CB 3.94Å; M99-N125 HydrophobicContact CG-CB 4.19Å; M99-N125 WeakPolarHBondContact CG-O 3.45Å; V100-N125 PolarHBondContact N-O 2.79Å; V100-N125 VanDerWaalsContact N-O 3.11Å; N125-K161 CarbonylContact C-O 3.6Å; N125-K161 WeakPolarHBondContact CA-O 3.21Å; N125-V163 HydrophobicContact CB-CG1 4.02Å; N125-V163 HydrophobicContact CB-CG2 4.05Å; N125-V163 WeakPolarHBondContact OD1-CG1 3.37Å
126I98.5Very high94.4Very high0 Ų054.3 Ų54.30%031%0.308CS..EExtended strand (participates in β ladder)trans-132.2154.7173.666.1161.3000111.5V100 V103 L124 I153 L160 K161 V162 V163V100-I126 HydrophobicContact CB-CG2 4.22Å; V100-I126 CarbonylContact O-C 3.57Å; V100-I126 WeakPolarHBondContact O-CA 3.3Å; V103-I126 HydrophobicContact CB-CD1 4.2Å; V103-I126 HydrophobicContact CG1-CD1 4.2Å; V103-I126 HydrophobicContact CG2-CB 3.99Å; V103-I126 HydrophobicContact CG2-CD1 3.95Å; V103-I126 HydrophobicContact CG2-CG2 4.12Å; L124-I126 HydrophobicContact CD2-CG2 4.36Å; L124-I126 HydrophobicContact CG-CG2 4.18Å; L124-I126 PolarHBondContact O-N 3.45Å; I126-I153 HydrophobicContact CD1-CD1 4.08Å; I126-I153 HydrophobicContact CD1-CG2 4.12Å; I126-L160 HydrophobicContact CD1-CB 4.34Å; I126-L160 HydrophobicContact CD1-CD1 4.12Å; I126-L160 HydrophobicContact CG2-CD2 4.23Å; I126-K161 PolarHBondContact N-O 3.14Å; I126-V162 HydrophobicContact CD1-CG2 4.01Å; I126-V162 HydrophobicContact CG1-CG2 4.05Å; I126-V162 WeakPolarHBondContact O-CA 3.29Å; I126-V163 WeakPolarHBondContact O-CG2 3.43Å; I126-V163 PolarHBondContact O-N 2.99Å
127M98.1Very high93.7Very high40 Ų4059.6 Ų59.620%0.19733%0.334CS..EExtended strand (participates in β ladder)trans-115149.4162.2-60.9-178.516900110.1M99 V100 E101 V103 V163 G164 M166M99-M127 HydrophobicContact CE-CE 4.32Å; M99-M127 HydrophobicContact SD-CE 3.69Å; M99-M127 HydrophobicContact SD-CG 3.78Å; M99-M127 HydrophobicContact SD-SD 4.01Å; V100-M127 PolarHBondContact O-N 2.95Å; E101-M127 CarbonylContact C-O 3.54Å; E101-M127 HydrophobicContact CB-CB 4.45Å; E101-M127 HydrophobicContact CG-CG 4.49Å; E101-M127 HydrophobicContact CG-SD 4.15Å; V103-M127 PolarHBondContact N-O 2.65Å; M127-V163 HydrophobicContact CE-CG2 4.45Å; M127-V163 HydrophobicContact CG-CG2 4.24Å; M127-G164 VanDerWaalsContact CA-O 3.26Å; M127-G164 WeakPolarHBondContact CA-O 3.12Å; M127-G164 WeakPolarHBondContact CB-O 3.44Å; M127-M166 HydrophobicContact CB-CB 4.13Å; M127-M166 HydrophobicContact SD-CB 4.31Å
128I97.9Very high93.1Very high0 Ų060.3 Ų60.30%033%0.328CS..EExtended strand (participates in β ladder)trans-87.9124.6172.8-64.4171.3000108.8V103 I141 L149 I153 V162 G164 L165 M166V103-I128 CarbonylContact O-C 3.55Å; V103-I128 VanDerWaalsContact O-CA 3.22Å; V103-I128 WeakPolarHBondContact O-CA 3.13Å; I128-I141 HydrophobicContact CG2-CD1 3.78Å; I128-I141 HydrophobicContact CG2-CG1 4.12Å; I128-L149 HydrophobicContact CD1-CD2 4.43Å; I128-L149 HydrophobicContact CD1-CG 4.27Å; I128-L149 HydrophobicContact CG1-CD2 4.43Å; I128-L149 HydrophobicContact CG2-CD2 3.87Å; I128-I153 HydrophobicContact CD1-CD1 4.22Å; I128-I153 HydrophobicContact CG1-CD1 4.28Å; I128-V162 HydrophobicContact CD1-CG1 4.21Å; I128-V162 HydrophobicContact CD1-CG2 4.47Å; I128-V162 HydrophobicContact CG1-CG1 4.29Å; I128-G164 PolarHBondContact N-O 2.95Å; I128-G164 VanDerWaalsContact N-O 3.16Å; I128-L165 HydrophobicContact CB-CD2 3.75Å; I128-L165 HydrophobicContact CG2-CD2 4.3Å; I128-L165 CarbonylContact O-C 3.59Å; I128-L165 WeakPolarHBondContact O-CA 3.4Å; I128-M166 PolarHBondContact O-N 2.69Å
129Q97.5Very high92.7Very high5 Ų555.9 Ų55.92%0.02331%0.305CS..EExtended strand (participates in β ladder)trans-83.6125.6176.6-176.4171.613.900111V103 D104 G140 I141 M166V103-Q129 PolarHBondContact O-N 3.38Å; D104-Q129 HydrophobicContact CB-CB 4.42Å; Q129-G140 CarbonylContact O-C 3.55Å; Q129-G140 WeakPolarHBondContact O-CA 3.35Å; Q129-I141 PolarHBondContact O-N 3.03Å; Q129-M166 CarbonylContact C-O 3.57Å; Q129-M166 VanDerWaalsContact CA-O 3.31Å; Q129-M166 WeakPolarHBondContact CA-O 3.29Å; Q129-M166 HydrophobicContact CB-SD 4.39Å; Q129-M166 HydrophobicContact CG-SD 3.82Å
130V96.7Very high92.8Very high1 Ų150.8 Ų50.81%0.00628%0.282CS..BIsolated β-bridgetrans-112.4128.5-178.2-169.10000109.7T132 P143 V146 L165 M166 C167 L189V130-T132 HydrophobicContact CB-CG2 4.24Å; V130-T132 HydrophobicContact CG1-CG2 3.99Å; V130-T132 PolarHBondContact O-N 3.11Å; V130-T132 VanDerWaalsContact O-N 3.14Å; V130-P143 HydrophobicContact CG1-CB 4.37Å; V130-P143 HydrophobicContact CG1-CG 3.72Å; V130-V146 HydrophobicContact CB-CG2 4.44Å; V130-V146 HydrophobicContact CG1-CG2 3.97Å; V130-V146 HydrophobicContact CG2-CG2 3.61Å; V130-L165 HydrophobicContact CG2-CB 4.42Å; V130-L165 HydrophobicContact CG2-CD1 4.31Å; V130-L165 HydrophobicContact CG2-CD2 4.2Å; V130-M166 PolarHBondContact N-O 3.32Å; V130-C167 WeakPolarHBondContact O-CB 3.02Å; V130-L189 HydrophobicContact CG1-CD1 4.09Å
131N95.4Very high92.8Very high21 Ų2148.7 Ų48.711%0.11227%0.273CS..  trans-81.683.7168.8-176.2-8.6000109.3S133 G134 E135 K138 I141 P143N131-S133 VanDerWaalsContact C-N 3.34Å; N131-S133 PolarHBondContact OD1-OG 2.97Å; N131-G134 PolarHBondContact OD1-N 3.1Å; N131-G134 VanDerWaalsContact OD1-N 3.11Å; N131-E135 PolarHBondContact ND2-O 3.17Å; N131-K138 PolarHBondContact ND2-O 3.25Å; N131-I141 PolarHBondContact N-O 3.1Å; N131-P143 WeakPolarHBondContact O-CD 3.47Å
132T92.1Very high92.8Very high5 Ų545.4 Ų45.43%0.03126%0.255CS..  trans-72.6-27.1-177.752.80000113.5V130 C167 D182 R185 V186V130-T132 HydrophobicContact CB-CG2 4.24Å; V130-T132 HydrophobicContact CG1-CG2 3.99Å; V130-T132 PolarHBondContact O-N 3.11Å; V130-T132 VanDerWaalsContact O-N 3.14Å; T132-C167 HydrophobicContact CG2-CB 3.81Å; T132-D182 VanDerWaalsContact CB-OD1 3.24Å; T132-D182 WeakPolarHBondContact CB-OD1 3.25Å; T132-D182 WeakPolarHBondContact OG1-CB 3.31Å; T132-D182 PolarHBondContact OG1-OD1 3.24Å; T132-R185 HydrophobicContact CG2-CB 4.4Å; T132-R185 PolarHBondContact O-NH1 2.91Å; T132-R185 VanDerWaalsContact O-NH1 3.09Å; T132-V186 HydrophobicContact CG2-CB 4.09Å
133S86.8Confident92.6Very high21 Ų2139.4 Ų39.415%0.14723%0.225CC..SBendtrans-80.4-19-174.775.30000113.3N131 E135 K138 Q170 D182N131-S133 VanDerWaalsContact C-N 3.34Å; N131-S133 PolarHBondContact OD1-OG 2.97Å; S133-E135 WeakPolarHBondContact CB-OE2 3.27Å; S133-E135 PolarHBondContact O-N 2.81Å; S133-E135 WeakPolarHBondContact OG-CB 3.18Å; S133-E135 WeakPolarHBondContact OG-CG 3.34Å; S133-E135 PolarHBondContact OG-N 3.44Å; S133-E135 PolarHBondContact OG-OE2 2.84Å; S133-K138 WeakPolarHBondContact OG-CD 3.42Å; S133-Q170 VanDerWaalsContact CB-CG 3.42Å; S133-D182 VanDerWaalsContact CA-OD1 3.31Å; S133-D182 WeakPolarHBondContact CA-OD1 3.24Å; S133-D182 PolarHBondContact N-OD1 3.28Å; S133-D182 VanDerWaalsContact N-OD1 3.09Å
134G84.3Confident92.4Very high58 Ų5842.4 Ų42.460%0.59824%0.243SC*.  trans75.74.8-177.100000114.1N131N131-G134 PolarHBondContact OD1-N 3.1Å; N131-G134 VanDerWaalsContact OD1-N 3.11Å
135E84.1Confident92.2Very high58 Ų5846.4 Ų46.427%0.27126%0.261SS..  trans-76.3121-179.7-70.8175.1108.400110.4N131 S133 Q137 K138N131-E135 PolarHBondContact ND2-O 3.17Å; S133-E135 WeakPolarHBondContact CB-OE2 3.27Å; S133-E135 PolarHBondContact O-N 2.81Å; S133-E135 WeakPolarHBondContact OG-CB 3.18Å; S133-E135 WeakPolarHBondContact OG-CG 3.34Å; S133-E135 PolarHBondContact OG-N 3.44Å; S133-E135 PolarHBondContact OG-OE2 2.84Å; E135-Q137 PolarHBondContact O-N 3.03Å; E135-Q137 VanDerWaalsContact O-N 3.12Å; E135-Q137 PolarHBondContact OE1-NE2 3.35Å; E135-K138 HydrophobicContact CB-CD 4.31Å; E135-K138 HydrophobicContact CB-CG 4.32Å; E135-K138 PolarHBondContact O-N 3Å; E135-K138 WeakPolarHBondContact OE2-CD 3.42Å; E135-K138 WeakPolarHBondContact OE2-CE 3.28Å; E135-K138 IonicContact OE2-NZ 2.65Å; E135-K138 PolarHBondContact OE2-NZ 3.1Å
136P81.3Confident92.1Very high125 Ų12544.6 Ų44.681%0.81225%0.252SS*.THydrogen-bonded Turntrans-64.8-21.3-171.925.5-34.8000113.9K138P136-K138 VanDerWaalsContact C-N 3.31Å
137Q83.8Confident91.9Very high129 Ų12946.8 Ų46.860%0.60326%0.263SS*.THydrogen-bonded Turntrans-77.2-15176.969.9-82.317.200113.7E135E135-Q137 PolarHBondContact O-N 3.03Å; E135-Q137 VanDerWaalsContact O-N 3.12Å; E135-Q137 PolarHBondContact OE1-NE2 3.35Å
138K83.3Confident91.8Very high46 Ų4649.5 Ų49.520%0.228%0.278CS..SBendtrans-88.7143179.2-74.1-175.3175.1169.70111.2N131 S133 E135 P136 G169 Q170N131-K138 PolarHBondContact ND2-O 3.25Å; S133-K138 WeakPolarHBondContact OG-CD 3.42Å; E135-K138 HydrophobicContact CB-CD 4.31Å; E135-K138 HydrophobicContact CB-CG 4.32Å; E135-K138 PolarHBondContact O-N 3Å; E135-K138 WeakPolarHBondContact OE2-CD 3.42Å; E135-K138 WeakPolarHBondContact OE2-CE 3.28Å; E135-K138 IonicContact OE2-NZ 2.65Å; E135-K138 PolarHBondContact OE2-NZ 3.1Å; P136-K138 VanDerWaalsContact C-N 3.31Å; K138-G169 PolarHBondContact NZ-O 3.47Å; K138-Q170 VanDerWaalsContact NZ-CA 3.35Å
139N90.1Very high91.7Very high43 Ų4350 Ų5023%0.2328%0.281CS..  trans-76167.3177.3-50.5-63.6000111R82R82-N139 VanDerWaalsContact CD-OD1 3.29Å; R82-N139 WeakPolarHBondContact CD-OD1 3.41Å; R82-N139 VanDerWaalsContact CZ-OD1 3.31Å; R82-N139 PolarHBondContact NE-OD1 2.94Å; R82-N139 PolarHBondContact NH1-OD1 3.48Å
140G94.8Very high91.7Very high18 Ų1850.6 Ų50.619%0.18628%0.283CS..SBendtrans103.5156-176.300000113.1D104 Q129D104-G140 PolarHBondContact OD2-N 3.15Å; Q129-G140 CarbonylContact O-C 3.55Å; Q129-G140 WeakPolarHBondContact O-CA 3.35Å
141I96Very high91.6Very high20 Ų2054 Ų5410%0.10330%0.301CS..BIsolated β-bridgetrans-78.5163.6176.356.9167.8000111.8D104 I128 Q129 N131 E145 V146 L149D104-I141 HydrophobicContact CB-CG2 4.15Å; D104-I141 WeakPolarHBondContact O-CG2 3.43Å; I128-I141 HydrophobicContact CG2-CD1 3.78Å; I128-I141 HydrophobicContact CG2-CG1 4.12Å; Q129-I141 PolarHBondContact O-N 3.03Å; N131-I141 PolarHBondContact N-O 3.1Å; I141-E145 HydrophobicContact CB-CB 4.27Å; I141-E145 HydrophobicContact CD1-CB 4.14Å; I141-V146 HydrophobicContact CD1-CB 4.23Å; I141-V146 HydrophobicContact CD1-CG2 3.75Å; I141-V146 HydrophobicContact CG1-CG2 4.14Å; I141-L149 HydrophobicContact CD1-CB 3.96Å; I141-L149 HydrophobicContact CD1-CD2 3.67Å; I141-L149 HydrophobicContact CD1-CG 4.45Å; I141-L149 HydrophobicContact CG1-CD2 4.5Å; I141-L149 HydrophobicContact CG2-CD2 4.2Å
142K95.2Very high91.7Very high132 Ų13255.7 Ų55.757%0.57431%0.308SS*.  trans-67.2147172.2-62.4173-178170.50109.7T144 E145K142-T144 PolarHBondContact O-N 3.31Å; K142-T144 VanDerWaalsContact O-N 3.1Å; K142-E145 HydrophobicContact CB-CG 4.14Å; K142-E145 VanDerWaalsContact CB-OE2 3.26Å; K142-E145 WeakPolarHBondContact CB-OE2 3.27Å; K142-E145 WeakPolarHBondContact CG-OE2 3.5Å; K142-E145 PolarHBondContact N-OE2 3.3Å; K142-E145 WeakPolarHBondContact O-CB 3Å; K142-E145 PolarHBondContact O-N 3.28Å
143P93.8Very high92Very high9 Ų955.5 Ų55.56%0.05831%0.307CS..G310 helixtrans-46.3-39.9172.1-38.744000114.5V130 N131 E145 V146 R185 L189V130-P143 HydrophobicContact CG1-CB 4.37Å; V130-P143 HydrophobicContact CG1-CG 3.72Å; N131-P143 WeakPolarHBondContact O-CD 3.47Å; P143-E145 PolarHBondContact O-N 3.13Å; P143-V146 WeakPolarHBondContact O-CG2 3.42Å; P143-V146 PolarHBondContact O-N 3Å; P143-R185 VanDerWaalsContact CG-CZ 3.44Å; P143-L189 HydrophobicContact CB-CD1 3.8Å; P143-L189 HydrophobicContact CB-CD2 4.33Å; P143-L189 HydrophobicContact CG-CD1 4.32Å
144T93.7Very high92.4Very high120 Ų12059.9 Ų59.974%0.73633%0.325SS*.G310 helixtrans-69.4-13.4179.552.60000114.3K142K142-T144 PolarHBondContact O-N 3.31Å; K142-T144 VanDerWaalsContact O-N 3.1Å
145E95.1Very high93Very high86 Ų8662.8 Ų62.840%0.40233%0.331SS..G310 helixtrans-99.3-9.3-177.2-62.3172.1135.200112.1I141 K142 P143 I147 N148 L149I141-E145 HydrophobicContact CB-CB 4.27Å; I141-E145 HydrophobicContact CD1-CB 4.14Å; K142-E145 HydrophobicContact CB-CG 4.14Å; K142-E145 VanDerWaalsContact CB-OE2 3.26Å; K142-E145 WeakPolarHBondContact CB-OE2 3.27Å; K142-E145 WeakPolarHBondContact CG-OE2 3.5Å; K142-E145 PolarHBondContact N-OE2 3.3Å; K142-E145 WeakPolarHBondContact O-CB 3Å; K142-E145 PolarHBondContact O-N 3.28Å; P143-E145 PolarHBondContact O-N 3.13Å; E145-I147 PolarHBondContact O-N 3.33Å; E145-N148 PolarHBondContact O-N 3.33Å; E145-L149 PolarHBondContact O-N 3.41Å
146V95.5Very high93.7Very high0 Ų065.2 Ų65.20%034%0.341CS..Hα-helixtrans-60.5-48.2-170.6174.50000112.1V130 I141 P143 N148 L149 Y150 L165 L189 I194V130-V146 HydrophobicContact CB-CG2 4.44Å; V130-V146 HydrophobicContact CG1-CG2 3.97Å; V130-V146 HydrophobicContact CG2-CG2 3.61Å; I141-V146 HydrophobicContact CD1-CB 4.23Å; I141-V146 HydrophobicContact CD1-CG2 3.75Å; I141-V146 HydrophobicContact CG1-CG2 4.14Å; P143-V146 WeakPolarHBondContact O-CG2 3.42Å; P143-V146 PolarHBondContact O-N 3Å; V146-N148 PolarHBondContact O-N 3.45Å; V146-L149 PolarHBondContact O-N 3.1Å; V146-Y150 WeakPolarHBondContact O-CB 3.3Å; V146-Y150 PolarHBondContact O-N 3.49Å; V146-L165 HydrophobicContact CG1-CD1 4.19Å; V146-L165 HydrophobicContact CG1-CD2 3.76Å; V146-L189 HydrophobicContact CG2-CD1 4.41Å; V146-I194 HydrophobicContact CG1-CD1 3.77Å
147I94.2Very high94.5Very high45 Ų4559.4 Ų59.423%0.23130%0.303CS..Hα-helixtrans-67.2-39.8-177.6-70.1-69.8000112.3E145 L149 Y150 N151 E193 I194E145-I147 PolarHBondContact O-N 3.33Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.87Å; I147-Y150 PolarHBondContact O-N 3.31Å; I147-N151 WeakPolarHBondContact O-CB 3.5Å; I147-N151 VanDerWaalsContact O-CG 3.23Å; I147-N151 PolarHBondContact O-N 3.12Å; I147-N151 PolarHBondContact O-ND2 2.95Å; I147-E193 HydrophobicContact CD1-CB 3.26Å; I147-E193 HydrophobicContact CD1-CG 4.47Å; I147-E193 VanDerWaalsContact CD1-O 3.32Å; I147-E193 WeakPolarHBondContact CD1-O 3.44Å; I147-E193 HydrophobicContact CG1-CB 3.57Å; I147-E193 HydrophobicContact CG1-CG 4.32Å; I147-E193 WeakPolarHBondContact CG1-OE2 3.42Å; I147-I194 HydrophobicContact CD1-CG1 3.8Å
148N95.7Very high95.2Very high97 Ų9757.6 Ų57.652%0.51930%0.302SS..Hα-helixtrans-62.1-44.6175.7-178.542.8000110.9E145 V146 Q152E145-N148 PolarHBondContact O-N 3.33Å; V146-N148 PolarHBondContact O-N 3.45Å; N148-Q152 PolarHBondContact ND2-NE2 3.49Å; N148-Q152 VanDerWaalsContact ND2-NE2 3.18Å; N148-Q152 WeakPolarHBondContact O-CB 3.37Å; N148-Q152 VanDerWaalsContact O-CG 3.27Å; N148-Q152 WeakPolarHBondContact O-CG 3.32Å; N148-Q152 PolarHBondContact O-N 3.34Å; N148-Q152 VanDerWaalsContact O-N 3.13Å; N148-Q152 PolarHBondContact OD1-NE2 3.24Å
149L96.9Very high95.9Very high10 Ų1057.8 Ų57.85%0.05231%0.306CS..Hα-helixtrans-64.9-46.4176.6-178.459.6000111.6M106 I128 I141 E145 V146 I147 N151 Q152 I153M106-L149 HydrophobicContact CB-CD1 4.41Å; M106-L149 HydrophobicContact CG-CD1 3.62Å; M106-L149 HydrophobicContact SD-CD1 3.61Å; I128-L149 HydrophobicContact CD1-CD2 4.43Å; I128-L149 HydrophobicContact CD1-CG 4.27Å; I128-L149 HydrophobicContact CG1-CD2 4.43Å; I128-L149 HydrophobicContact CG2-CD2 3.87Å; I141-L149 HydrophobicContact CD1-CB 3.96Å; I141-L149 HydrophobicContact CD1-CD2 3.67Å; I141-L149 HydrophobicContact CD1-CG 4.45Å; I141-L149 HydrophobicContact CG1-CD2 4.5Å; I141-L149 HydrophobicContact CG2-CD2 4.2Å; E145-L149 PolarHBondContact O-N 3.41Å; V146-L149 PolarHBondContact O-N 3.1Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.87Å; L149-N151 PolarHBondContact O-N 2.83Å; L149-Q152 PolarHBondContact O-N 3.5Å; L149-I153 HydrophobicContact CD1-CD1 3.93Å; L149-I153 HydrophobicContact CD1-CG1 4.08Å; L149-I153 HydrophobicContact CD2-CD1 4.47Å; L149-I153 HydrophobicContact CG-CD1 3.85Å; L149-I153 HydrophobicContact CG-CG1 4.38Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.42Å; L149-I153 PolarHBondContact O-N 3.05Å
150Y96.4Very high96.3Very high18 Ų1856.4 Ų56.47%0.07130%0.298CS..Hα-helixtrans-53.9-54.6177.3171.1-92.6000111.6V146 I147 Q152 I153 E154 V162 I194V146-Y150 WeakPolarHBondContact O-CB 3.3Å; V146-Y150 PolarHBondContact O-N 3.49Å; I147-Y150 PolarHBondContact O-N 3.31Å; Y150-Q152 VanDerWaalsContact C-N 3.28Å; Y150-Q152 PolarHBondContact O-N 3.02Å; Y150-I153 PolarHBondContact O-N 2.97Å; Y150-I153 VanDerWaalsContact O-N 3.12Å; Y150-E154 WeakPolarHBondContact CE1-OE2 3.24Å; Y150-E154 WeakPolarHBondContact O-CB 3.41Å; Y150-E154 PolarHBondContact O-N 2.96Å; Y150-E154 PolarHBondContact OH-OE1 2.82Å; Y150-V162 HydrophobicContact CD2-CB 3.99Å; Y150-V162 HydrophobicContact CD2-CG1 3.89Å; Y150-V162 HydrophobicContact CD2-CG2 4.13Å; Y150-V162 HydrophobicContact CE2-CB 3.95Å; Y150-V162 HydrophobicContact CE2-CG1 4.16Å; Y150-V162 HydrophobicContact CE2-CG2 4.4Å; Y150-I194 HydrophobicContact CD2-CG2 3.78Å; Y150-I194 HydrophobicContact CE2-CG2 3.64Å; Y150-I194 HydrophobicContact CG-CG2 4.27Å
151N95.3Very high96.5Very high74 Ų7461 Ų6140%0.39631%0.313SS..Hα-helixtrans-59.8-40.1-178.6-70.7-17.8000111.7I147 L149 V155I147-N151 WeakPolarHBondContact O-CB 3.5Å; I147-N151 VanDerWaalsContact O-CG 3.23Å; I147-N151 PolarHBondContact O-N 3.12Å; I147-N151 PolarHBondContact O-ND2 2.95Å; L149-N151 PolarHBondContact O-N 2.83Å; N151-V155 WeakPolarHBondContact O-CB 3.5Å; N151-V155 VanDerWaalsContact O-CG2 3.3Å; N151-V155 WeakPolarHBondContact O-CG2 3.38Å; N151-V155 PolarHBondContact O-N 2.85Å; N151-V155 VanDerWaalsContact O-N 3.1Å
152Q97.7Very high96.5Very high55 Ų5560.5 Ų60.526%0.25731%0.311SS..Hα-helixtrans-67.6-39.3177.8-72.5-173.856.200112.5M106 N148 L149 Y150 K156M106-Q152 HydrophobicContact CE-CB 3.9Å; M106-Q152 HydrophobicContact CG-CB 4.05Å; M106-Q152 HydrophobicContact SD-CB 3.38Å; M106-Q152 WeakPolarHBondContact SD-CB 3.42Å; N148-Q152 PolarHBondContact ND2-NE2 3.49Å; N148-Q152 VanDerWaalsContact ND2-NE2 3.18Å; N148-Q152 WeakPolarHBondContact O-CB 3.37Å; N148-Q152 VanDerWaalsContact O-CG 3.27Å; N148-Q152 WeakPolarHBondContact O-CG 3.32Å; N148-Q152 PolarHBondContact O-N 3.34Å; N148-Q152 VanDerWaalsContact O-N 3.13Å; N148-Q152 PolarHBondContact OD1-NE2 3.24Å; L149-Q152 PolarHBondContact O-N 3.5Å; Y150-Q152 VanDerWaalsContact C-N 3.28Å; Y150-Q152 PolarHBondContact O-N 3.02Å; Q152-K156 VanDerWaalsContact O-CB 3.24Å; Q152-K156 WeakPolarHBondContact O-CB 3.22Å; Q152-K156 WeakPolarHBondContact O-CG 3.4Å; Q152-K156 PolarHBondContact O-N 3.12Å
153I98Very high96.5Very high2 Ų256.4 Ų56.41%0.0130%0.297CS..Hα-helixtrans-64.7-48.8175.1-67.5175.4000110V103 M106 A109 I126 I128 L149 Y150 V155 K156 C157 V162V103-I153 HydrophobicContact CG1-CD1 4.18Å; M106-I153 HydrophobicContact SD-CG1 3.68Å; A109-I153 HydrophobicContact CB-CD1 3.86Å; A109-I153 HydrophobicContact CB-CG1 3.66Å; I126-I153 HydrophobicContact CD1-CD1 4.08Å; I126-I153 HydrophobicContact CD1-CG2 4.12Å; I128-I153 HydrophobicContact CD1-CD1 4.22Å; I128-I153 HydrophobicContact CG1-CD1 4.28Å; L149-I153 HydrophobicContact CD1-CD1 3.93Å; L149-I153 HydrophobicContact CD1-CG1 4.08Å; L149-I153 HydrophobicContact CD2-CD1 4.47Å; L149-I153 HydrophobicContact CG-CD1 3.85Å; L149-I153 HydrophobicContact CG-CG1 4.38Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.42Å; L149-I153 PolarHBondContact O-N 3.05Å; Y150-I153 PolarHBondContact O-N 2.97Å; Y150-I153 VanDerWaalsContact O-N 3.12Å; I153-V155 VanDerWaalsContact C-N 3.28Å; I153-V155 PolarHBondContact O-N 3.13Å; I153-K156 PolarHBondContact O-N 3.36Å; I153-C157 HydrophobicContact CG2-CB 3.95Å; I153-C157 WeakPolarHBondContact O-CA 3.3Å; I153-C157 WeakPolarHBondContact O-CB 3.45Å; I153-C157 PolarHBondContact O-N 3.08Å; I153-V162 HydrophobicContact CB-CG2 4.27Å; I153-V162 HydrophobicContact CD1-CG2 4.5Å; I153-V162 HydrophobicContact CG2-CG2 3.68Å
154E95.8Very high96.5Very high113 Ų11356.3 Ų56.353%0.52830%0.298SS..Hα-helixtrans-55.8-43.6-179-174.5-177.6-153.200111.9Y150Y150-E154 WeakPolarHBondContact CE1-OE2 3.24Å; Y150-E154 WeakPolarHBondContact O-CB 3.41Å; Y150-E154 PolarHBondContact O-N 2.96Å; Y150-E154 PolarHBondContact OH-OE1 2.82Å
155V97Very high96.7Very high119 Ų11951.7 Ų51.772%0.72127%0.268SS*.Hα-helixtrans-76.2-40.4-178.9173.20000112.7N151 I153N151-V155 WeakPolarHBondContact O-CB 3.5Å; N151-V155 VanDerWaalsContact O-CG2 3.3Å; N151-V155 WeakPolarHBondContact O-CG2 3.38Å; N151-V155 PolarHBondContact O-N 2.85Å; N151-V155 VanDerWaalsContact O-N 3.1Å; I153-V155 VanDerWaalsContact C-N 3.28Å; I153-V155 PolarHBondContact O-N 3.13Å
156K98.2Very high96.7Very high109 Ų10948.6 Ų48.647%0.47425%0.254SS..Hα-helixtrans-101.3-15.2-167.9-61.6175.1176.1177.90114.5M106 Q152 I153 P158M106-K156 HydrophobicContact CE-CB 4.3Å; M106-K156 HydrophobicContact CE-CD 3.83Å; Q152-K156 VanDerWaalsContact O-CB 3.24Å; Q152-K156 WeakPolarHBondContact O-CB 3.22Å; Q152-K156 WeakPolarHBondContact O-CG 3.4Å; Q152-K156 PolarHBondContact O-N 3.12Å; I153-K156 PolarHBondContact O-N 3.36Å; K156-P158 VanDerWaalsContact C-CD 3.48Å; K156-P158 VanDerWaalsContact O-CD 3.26Å; K156-P158 WeakPolarHBondContact O-CD 3.31Å
157C98.4Very high96.7Very high2 Ų249.7 Ų49.71%0.01426%0.261CS..  trans-120.968.5-169.5-56.70000113N113 I153 N159 L160N113-C157 HydrophobicContact CB-CB 3.81Å; N113-C157 VanDerWaalsContact CG-CA 3.41Å; N113-C157 VanDerWaalsContact OD1-CA 3.22Å; N113-C157 WeakPolarHBondContact OD1-CA 3.48Å; I153-C157 HydrophobicContact CG2-CB 3.95Å; I153-C157 WeakPolarHBondContact O-CA 3.3Å; I153-C157 WeakPolarHBondContact O-CB 3.45Å; I153-C157 PolarHBondContact O-N 3.08Å; C157-N159 PolarHBondContact O-N 3.37Å; C157-N159 VanDerWaalsContact O-N 3.13Å; C157-L160 HydrophobicContact CB-CB 4.09Å; C157-L160 HydrophobicContact CB-CD1 3.87Å; C157-L160 HydrophobicContact CB-CG 4.04Å; C157-L160 PolarHBondContact O-N 3.23Å
158P98Very high96.6Very high91 Ų9152 Ų5259%0.59127%0.273SS*.THydrogen-bonded Turntrans-64.4-19.4-175.828.1-37.2000114.4K156 L160K156-P158 VanDerWaalsContact C-CD 3.48Å; K156-P158 VanDerWaalsContact O-CD 3.26Å; K156-P158 WeakPolarHBondContact O-CD 3.31Å; P158-L160 VanDerWaalsContact C-N 3.27Å
159N98.5Very high96.3Very high51 Ų5148 Ų4827%0.27326%0.256SS..THydrogen-bonded Turntrans-88.24.5176.7-52.7-48.3000112.4N113 G117 P123 L124 C157N113-N159 WeakPolarHBondContact O-CB 3.38Å; N113-N159 PolarHBondContact O-ND2 3.1Å; N113-N159 WeakPolarHBondContact OD1-CA 3.22Å; N113-N159 VanDerWaalsContact OD1-CB 3.23Å; N113-N159 WeakPolarHBondContact OD1-CB 3.45Å; N113-N159 PolarHBondContact OD1-N 2.78Å; N113-N159 PolarHBondContact OD1-ND2 2.95Å; G117-N159 WeakPolarHBondContact CA-ND2 3.41Å; P123-N159 CarbonylContact C-O 3.59Å; P123-N159 VanDerWaalsContact CA-O 3.24Å; P123-N159 WeakPolarHBondContact CA-O 3.26Å; L124-N159 PolarHBondContact N-O 3.33Å; C157-N159 PolarHBondContact O-N 3.37Å; C157-N159 VanDerWaalsContact O-N 3.13Å
160L98.5Very high95.7Very high14 Ų1451.4 Ų51.47%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-119.7147.1175.5-55.6-176.5000109.9A109 L112 N113 L124 I126 C157 P158A109-L160 HydrophobicContact CB-CD1 4.07Å; A109-L160 VanDerWaalsContact O-CD1 3.3Å; A109-L160 WeakPolarHBondContact O-CD1 3.28Å; L112-L160 HydrophobicContact CB-CD1 4.2Å; L112-L160 HydrophobicContact CB-CD2 4.05Å; N113-L160 HydrophobicContact CB-CD1 3.93Å; N113-L160 HydrophobicContact CB-CG 3.91Å; L124-L160 HydrophobicContact CB-CD2 3.94Å; L124-L160 HydrophobicContact CD2-CD2 4.33Å; L124-L160 CarbonylContact O-C 3.6Å; L124-L160 WeakPolarHBondContact O-CA 3.4Å; I126-L160 HydrophobicContact CD1-CB 4.34Å; I126-L160 HydrophobicContact CD1-CD1 4.12Å; I126-L160 HydrophobicContact CG2-CD2 4.23Å; C157-L160 HydrophobicContact CB-CB 4.09Å; C157-L160 HydrophobicContact CB-CD1 3.87Å; C157-L160 HydrophobicContact CB-CG 4.04Å; C157-L160 PolarHBondContact O-N 3.23Å; P158-L160 VanDerWaalsContact C-N 3.27Å
161K97.7Very high95.2Very high113 Ų11359.6 Ų59.649%0.49131%0.31SS..EExtended strand (participates in β ladder)trans-125.3111.7171.7-176.8179.3-178.8174.10108.7P123 L124 N125 I126 V163P123-K161 HydrophobicContact CB-CB 4.18Å; L124-K161 PolarHBondContact O-N 3.3Å; N125-K161 CarbonylContact C-O 3.6Å; N125-K161 WeakPolarHBondContact CA-O 3.21Å; I126-K161 PolarHBondContact N-O 3.14Å; K161-V163 HydrophobicContact CD-CG1 4.04Å; K161-V163 HydrophobicContact CG-CG1 3.88Å; K161-V163 PolarHBondContact O-N 3.3Å
162V96.8Very high94.6Very high11 Ų1160.1 Ų60.17%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-67.9127.1168.9-173.80000107.7I126 I128 Y150 I153 F198I126-V162 HydrophobicContact CD1-CG2 4.01Å; I126-V162 HydrophobicContact CG1-CG2 4.05Å; I126-V162 WeakPolarHBondContact O-CA 3.29Å; I128-V162 HydrophobicContact CD1-CG1 4.21Å; I128-V162 HydrophobicContact CD1-CG2 4.47Å; I128-V162 HydrophobicContact CG1-CG1 4.29Å; Y150-V162 HydrophobicContact CD2-CB 3.99Å; Y150-V162 HydrophobicContact CD2-CG1 3.89Å; Y150-V162 HydrophobicContact CD2-CG2 4.13Å; Y150-V162 HydrophobicContact CE2-CB 3.95Å; Y150-V162 HydrophobicContact CE2-CG1 4.16Å; Y150-V162 HydrophobicContact CE2-CG2 4.4Å; I153-V162 HydrophobicContact CB-CG2 4.27Å; I153-V162 HydrophobicContact CD1-CG2 4.5Å; I153-V162 HydrophobicContact CG2-CG2 3.68Å; V162-F198 WeakPolarHBondContact O-CE1 3.47Å; V162-F198 WeakPolarHBondContact O-CZ 3.26Å
163V95.3Very high93.9Very high45 Ų4559.7 Ų59.727%0.27333%0.334SS..EExtended strand (participates in β ladder)trans-122.2-0.5-179.3-61.40000113.5M99 N125 I126 M127 K161M99-V163 HydrophobicContact CE-CG2 3.48Å; M99-V163 VanDerWaalsContact CE-CG2 3.48Å; M99-V163 HydrophobicContact SD-CG2 4.05Å; N125-V163 HydrophobicContact CB-CG1 4.02Å; N125-V163 HydrophobicContact CB-CG2 4.05Å; N125-V163 WeakPolarHBondContact OD1-CG1 3.37Å; I126-V163 WeakPolarHBondContact O-CG2 3.43Å; I126-V163 PolarHBondContact O-N 2.99Å; M127-V163 HydrophobicContact CE-CG2 4.45Å; M127-V163 HydrophobicContact CG-CG2 4.24Å; K161-V163 HydrophobicContact CD-CG1 4.04Å; K161-V163 HydrophobicContact CG-CG1 3.88Å; K161-V163 PolarHBondContact O-N 3.3Å
164G94.7Very high93.4Very high7 Ų763 Ų637%0.07235%0.352CS..EExtended strand (participates in β ladder)trans168.9-174.8-177.900000113.4M127 I128M127-G164 VanDerWaalsContact CA-O 3.26Å; M127-G164 WeakPolarHBondContact CA-O 3.12Å; M127-G164 WeakPolarHBondContact CB-O 3.44Å; I128-G164 PolarHBondContact N-O 2.95Å; I128-G164 VanDerWaalsContact N-O 3.16Å
165L96.1Very high92.7Very high23 Ų2364.7 Ų64.712%0.1236%0.363CS..EExtended strand (participates in β ladder)trans-113.6153.3172.5-60.6-177.6000109.6I128 V130 V146 V186 L189 F190 I194I128-L165 HydrophobicContact CB-CD2 3.75Å; I128-L165 HydrophobicContact CG2-CD2 4.3Å; I128-L165 CarbonylContact O-C 3.59Å; I128-L165 WeakPolarHBondContact O-CA 3.4Å; V130-L165 HydrophobicContact CG2-CB 4.42Å; V130-L165 HydrophobicContact CG2-CD1 4.31Å; V130-L165 HydrophobicContact CG2-CD2 4.2Å; V146-L165 HydrophobicContact CG1-CD1 4.19Å; V146-L165 HydrophobicContact CG1-CD2 3.76Å; L165-V186 HydrophobicContact CB-CG2 3.52Å; L165-V186 HydrophobicContact CD1-CG2 4.02Å; L165-V186 HydrophobicContact CG-CG2 4.43Å; L165-L189 HydrophobicContact CD1-CB 3.84Å; L165-F190 HydrophobicContact CD1-CB 4.06Å; L165-F190 HydrophobicContact CG-CB 4.43Å; L165-F190 HydrophobicContact CG-CD2 4.24Å; L165-I194 HydrophobicContact CD1-CD1 3.86Å; L165-I194 HydrophobicContact CD2-CD1 3.57Å; L165-I194 HydrophobicContact CG-CD1 3.82Å
166M96.2Very high92.2Very high21 Ų2165.8 Ų65.810%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-127.3143.8173.5-175.6-86.8-125.600109.2E101 T102 M127 I128 Q129 V130 I168E101-M166 HydrophobicContact CB-CB 4.45Å; E101-M166 HydrophobicContact CB-CE 4.44Å; E101-M166 HydrophobicContact CB-CG 4.25Å; E101-M166 VanDerWaalsContact O-CB 3.25Å; E101-M166 WeakPolarHBondContact O-CB 3.19Å; T102-M166 HydrophobicContact CG2-CE 3.37Å; M127-M166 HydrophobicContact CB-CB 4.13Å; M127-M166 HydrophobicContact SD-CB 4.31Å; I128-M166 PolarHBondContact O-N 2.69Å; Q129-M166 CarbonylContact C-O 3.57Å; Q129-M166 VanDerWaalsContact CA-O 3.31Å; Q129-M166 WeakPolarHBondContact CA-O 3.29Å; Q129-M166 HydrophobicContact CB-SD 4.39Å; Q129-M166 HydrophobicContact CG-SD 3.82Å; V130-M166 PolarHBondContact N-O 3.32Å; M166-I168 HydrophobicContact CE-CG1 4.37Å; M166-I168 HydrophobicContact SD-CG1 4.18Å
167C95.2Very high91.6Very high23 Ų2365.4 Ų65.416%0.15538%0.376CS..  trans-141.9154.9169.371.20000110.3V130 T132 V186V130-C167 WeakPolarHBondContact O-CB 3.02Å; T132-C167 HydrophobicContact CG2-CB 3.81Å; C167-V186 HydrophobicContact CB-CB 4.38Å; C167-V186 HydrophobicContact CB-CG2 4.3Å
168I92.3Very high90.9Very high94 Ų9467 Ų6748%0.48239%0.392SS..  trans-109.5105.9167.6-60.2178.8000106.7M166M166-I168 HydrophobicContact CE-CG1 4.37Å; M166-I168 HydrophobicContact SD-CG1 4.18Å
169G88.2Confident90.4Very high14 Ų1467.8 Ų67.814%0.14440%0.397CS..PPolyproline II helixtrans-63.5167.6-178.600000113.7K138 D182K138-G169 PolarHBondContact NZ-O 3.47Å; G169-D182 VanDerWaalsContact CA-OD2 3.29Å; G169-D182 WeakPolarHBondContact CA-OD2 3.4Å
170Q85.4Confident89.9Confident80 Ų8066.7 Ų66.737%0.37439%0.391SS..PPolyproline II helixtrans-61.9139.9170.2-68-179.39.700111.1S133 K138 V173 D182S133-Q170 VanDerWaalsContact CB-CG 3.42Å; K138-Q170 VanDerWaalsContact NZ-CA 3.35Å; Q170-V173 HydrophobicContact CB-CG2 3.83Å; Q170-D182 WeakPolarHBondContact CG-OD2 3.39Å; Q170-D182 PolarHBondContact N-OD2 3.01Å
171E85.3Confident89.5Confident191 Ų19169.8 Ų69.889%0.89341%0.412SS*.THydrogen-bonded Turntrans-74.6149.2171.4-65.6-176.4-177.400109.5V173E171-V173 VanDerWaalsContact C-N 3.3Å; E171-V173 PolarHBondContact O-N 3.09Å
172G83.5Confident89.2Confident85 Ų8564.6 Ų64.688%0.87639%0.39SS*.THydrogen-bonded Turntrans75.211.4173.400000115.8D174G172-D174 PolarHBondContact O-N 2.96Å
173V83.7Confident89Confident45 Ų4569.1 Ų69.127%0.27341%0.409SS..  trans-63.3121.2170.6179.40000109.2Q170 E171 I175 N180Q170-V173 HydrophobicContact CB-CG2 3.83Å; E171-V173 VanDerWaalsContact C-N 3.3Å; E171-V173 PolarHBondContact O-N 3.09Å; V173-I175 PolarHBondContact O-N 3.25Å; V173-N180 HydrophobicContact CG1-CB 4.3Å
174D85.5Confident88.7Confident73 Ų7371 Ų7139%0.3942%0.42SS..  trans-70116.8176.9171.829.2000110.7G172 N176 S177G172-D174 PolarHBondContact O-N 2.96Å; D174-N176 PolarHBondContact O-N 3.35Å; D174-N176 WeakPolarHBondContact OD1-CB 3.38Å; D174-N176 PolarHBondContact OD1-N 2.97Å; D174-N176 PolarHBondContact OD1-ND2 2.77Å; D174-S177 WeakPolarHBondContact O-CB 3.33Å; D174-S177 PolarHBondContact O-N 3.45Å; D174-S177 VanDerWaalsContact O-N 3.1Å; D174-S177 PolarHBondContact OD2-N 3.37Å; D174-S177 PolarHBondContact OD2-OG 3.48Å
175I82Confident88.5Confident148 Ų14876.2 Ų76.276%0.75944%0.438SS*.G310 helixtrans-65.5-20179.362.6171.6000113V173 S177V173-I175 PolarHBondContact O-N 3.25Å; I175-S177 VanDerWaalsContact C-N 3.33Å
176N86.4Confident88.3Confident141 Ų14176 Ų7675%0.75444%0.437SS*.G310 helixtrans-82-16.3177.1-54.5-68.4000112.2D174 G178D174-N176 PolarHBondContact O-N 3.35Å; D174-N176 WeakPolarHBondContact OD1-CB 3.38Å; D174-N176 PolarHBondContact OD1-N 2.97Å; D174-N176 PolarHBondContact OD1-ND2 2.77Å; N176-G178 PolarHBondContact O-N 3.39Å
177S85.1Confident87.9Confident102 Ų10277.5 Ų77.571%0.71345%0.448SS*.G310 helixtrans-80.83.3178.3-680000113.2D174 I175D174-S177 WeakPolarHBondContact O-CB 3.33Å; D174-S177 PolarHBondContact O-N 3.45Å; D174-S177 VanDerWaalsContact O-N 3.1Å; D174-S177 PolarHBondContact OD2-N 3.37Å; D174-S177 PolarHBondContact OD2-OG 3.48Å; I175-S177 VanDerWaalsContact C-N 3.33Å
178G85.5Confident87.5Confident34 Ų3478.5 Ų78.535%0.35146%0.462SS..SBendtrans111.1-168.2178.300000113.6N176 N180N176-G178 PolarHBondContact O-N 3.39Å; G178-N180 PolarHBondContact O-N 3.29Å
179P85.8Confident87.3Confident108 Ų10874.9 Ų74.970%0.70144%0.444SS*.SBendtrans-61.1137.7179.8-22.634000111.7V184P179-V184 HydrophobicContact CB-CG2 3.61Å
180N89.1Confident87.1Confident28 Ų2876.4 Ų76.415%0.1545%0.446CS..  trans-58.9122.8176.5-177.7-44.1000109.9V173 G178 D182 F183 V184V173-N180 HydrophobicContact CG1-CB 4.3Å; G178-N180 PolarHBondContact O-N 3.29Å; N180-D182 VanDerWaalsContact C-N 3.25Å; N180-D182 PolarHBondContact O-N 2.94Å; N180-D182 VanDerWaalsContact OD1-CB 3.28Å; N180-D182 WeakPolarHBondContact OD1-CB 3.27Å; N180-D182 PolarHBondContact OD1-N 3.38Å; N180-F183 HydrophobicContact CB-CB 4.36Å; N180-F183 HydrophobicContact CB-CD2 3.6Å; N180-F183 HydrophobicContact CB-CE2 4.09Å; N180-F183 HydrophobicContact CB-CG 4.1Å; N180-F183 PolarHBondContact O-N 3.44Å; N180-F183 VanDerWaalsContact O-N 3.08Å; N180-V184 WeakPolarHBondContact O-CG2 3.42Å; N180-V184 PolarHBondContact O-N 3.49Å
181P90.3Very high86.9Confident79 Ų7978.1 Ų78.151%0.51345%0.453SS..Hα-helixtrans-62.2-31.4-173.824.4-34.3000113V184 R185P181-V184 PolarHBondContact O-N 3.35Å; P181-R185 VanDerWaalsContact O-CB 3.31Å; P181-R185 WeakPolarHBondContact O-CB 3.47Å; P181-R185 PolarHBondContact O-N 2.99Å
182D91.5Very high86.6Confident4 Ų471.5 Ų71.52%0.02144%0.436CS..Hα-helixtrans-63.6-43.6175.5-70.3-52.2000111.6T132 S133 G169 Q170 N180 R185 V186T132-D182 VanDerWaalsContact CB-OD1 3.24Å; T132-D182 WeakPolarHBondContact CB-OD1 3.25Å; T132-D182 WeakPolarHBondContact OG1-CB 3.31Å; T132-D182 PolarHBondContact OG1-OD1 3.24Å; S133-D182 VanDerWaalsContact CA-OD1 3.31Å; S133-D182 WeakPolarHBondContact CA-OD1 3.24Å; S133-D182 PolarHBondContact N-OD1 3.28Å; S133-D182 VanDerWaalsContact N-OD1 3.09Å; G169-D182 VanDerWaalsContact CA-OD2 3.29Å; G169-D182 WeakPolarHBondContact CA-OD2 3.4Å; Q170-D182 WeakPolarHBondContact CG-OD2 3.39Å; Q170-D182 PolarHBondContact N-OD2 3.01Å; N180-D182 VanDerWaalsContact C-N 3.25Å; N180-D182 PolarHBondContact O-N 2.94Å; N180-D182 VanDerWaalsContact OD1-CB 3.28Å; N180-D182 WeakPolarHBondContact OD1-CB 3.27Å; N180-D182 PolarHBondContact OD1-N 3.38Å; D182-R185 PolarHBondContact O-N 3.18Å; D182-V186 PolarHBondContact O-N 2.89Å
183F91.1Very high86.2Confident107 Ų10772 Ų7247%0.46942%0.416SS..Hα-helixtrans-72.2-36-179.8-59.2-23000111.9N180 R185 V186 T187N180-F183 HydrophobicContact CB-CB 4.36Å; N180-F183 HydrophobicContact CB-CD2 3.6Å; N180-F183 HydrophobicContact CB-CE2 4.09Å; N180-F183 HydrophobicContact CB-CG 4.1Å; N180-F183 PolarHBondContact O-N 3.44Å; N180-F183 VanDerWaalsContact O-N 3.08Å; F183-R185 VanDerWaalsContact C-N 3.31Å; F183-V186 WeakPolarHBondContact O-CG1 3.43Å; F183-T187 WeakPolarHBondContact O-CB 3.31Å; F183-T187 PolarHBondContact O-N 2.82Å; F183-T187 VanDerWaalsContact O-N 3.1Å; F183-T187 PolarHBondContact O-OG1 2.71Å
184V89.5Confident85.5Confident84 Ų8470 Ų7051%0.50940%0.403SS..Hα-helixtrans-60.5-45.2170.5175.20000110.2P179 N180 P181 T187 G188P179-V184 HydrophobicContact CB-CG2 3.61Å; N180-V184 WeakPolarHBondContact O-CG2 3.42Å; N180-V184 PolarHBondContact O-N 3.49Å; P181-V184 PolarHBondContact O-N 3.35Å; V184-T187 PolarHBondContact O-N 2.73Å; V184-G188 PolarHBondContact O-N 3.11Å
185R90.7Very high84.7Confident116 Ų11667.8 Ų67.844%0.43840%0.395SS..Hα-helixtrans-64.1-49.9-178.5-169.5172-168176.83.8112.6T132 P143 P181 D182 F183 T187 G188 L189T132-R185 HydrophobicContact CG2-CB 4.4Å; T132-R185 PolarHBondContact O-NH1 2.91Å; T132-R185 VanDerWaalsContact O-NH1 3.09Å; P143-R185 VanDerWaalsContact CG-CZ 3.44Å; P181-R185 VanDerWaalsContact O-CB 3.31Å; P181-R185 WeakPolarHBondContact O-CB 3.47Å; P181-R185 PolarHBondContact O-N 2.99Å; D182-R185 PolarHBondContact O-N 3.18Å; F183-R185 VanDerWaalsContact C-N 3.31Å; R185-T187 VanDerWaalsContact C-N 3.29Å; R185-T187 PolarHBondContact O-N 2.74Å; R185-G188 PolarHBondContact O-N 3.35Å; R185-L189 HydrophobicContact CG-CD1 4.44Å; R185-L189 WeakPolarHBondContact O-CG 2.89Å; R185-L189 PolarHBondContact O-N 3.25Å
186V91.3Very high83.6Confident18 Ų1866.3 Ų66.311%0.10939%0.393CS..Hα-helixtrans-63.5-37.5179.577.10000111.9T132 L165 C167 D182 F183 L189 F190T132-V186 HydrophobicContact CG2-CB 4.09Å; L165-V186 HydrophobicContact CB-CG2 3.52Å; L165-V186 HydrophobicContact CD1-CG2 4.02Å; L165-V186 HydrophobicContact CG-CG2 4.43Å; C167-V186 HydrophobicContact CB-CB 4.38Å; C167-V186 HydrophobicContact CB-CG2 4.3Å; D182-V186 PolarHBondContact O-N 2.89Å; F183-V186 WeakPolarHBondContact O-CG1 3.43Å; V186-L189 PolarHBondContact O-N 2.75Å; V186-F190 PolarHBondContact O-N 2.84Å
187T88.4Confident81.8Confident54 Ų5462 Ų6233%0.33138%0.382SS..Hα-helixtrans-68.1-42.9177.9-55.60000110.8F183 V184 R185 F190 F191F183-T187 WeakPolarHBondContact O-CB 3.31Å; F183-T187 PolarHBondContact O-N 2.82Å; F183-T187 VanDerWaalsContact O-N 3.1Å; F183-T187 PolarHBondContact O-OG1 2.71Å; V184-T187 PolarHBondContact O-N 2.73Å; R185-T187 VanDerWaalsContact C-N 3.29Å; R185-T187 PolarHBondContact O-N 2.74Å; T187-F190 PolarHBondContact O-N 3.09Å; T187-F191 HydrophobicContact CG2-CD2 3.57Å; T187-F191 HydrophobicContact CG2-CE2 3.6Å; T187-F191 VanDerWaalsContact O-CD2 3.3Å; T187-F191 WeakPolarHBondContact O-CD2 3.33Å; T187-F191 PolarHBondContact O-N 3.35Å
188G87.7Confident79.8Confident44 Ų4464 Ų6445%0.45438%0.378SS..Hα-helixtrans-60.9-44175.200000112.8V184 R185 G192V184-G188 PolarHBondContact O-N 3.11Å; R185-G188 PolarHBondContact O-N 3.35Å; G188-G192 WeakPolarHBondContact O-CA 3.44Å; G188-G192 PolarHBondContact O-N 2.85Å
189L87.6Confident79.6Confident18 Ų1865.5 Ų65.59%0.09438%0.379CS..Hα-helixtrans-60.5-47174.6-70.1166.4000111.5V130 P143 V146 L165 R185 V186 E193V130-L189 HydrophobicContact CG1-CD1 4.09Å; P143-L189 HydrophobicContact CB-CD1 3.8Å; P143-L189 HydrophobicContact CB-CD2 4.33Å; P143-L189 HydrophobicContact CG-CD1 4.32Å; V146-L189 HydrophobicContact CG2-CD1 4.41Å; L165-L189 HydrophobicContact CD1-CB 3.84Å; R185-L189 HydrophobicContact CG-CD1 4.44Å; R185-L189 WeakPolarHBondContact O-CG 2.89Å; R185-L189 PolarHBondContact O-N 3.25Å; V186-L189 PolarHBondContact O-N 2.75Å; L189-E193 WeakPolarHBondContact O-CB 3.02Å; L189-E193 PolarHBondContact O-N 3.03Å
190F84.3Confident79.2Confident45 Ų4563.2 Ų63.220%0.19736%0.363CS..Iπ-helixtrans-61.9-52.5-179-175.7-100.4000111.5L165 V186 T187 I194 A195 F198L165-F190 HydrophobicContact CD1-CB 4.06Å; L165-F190 HydrophobicContact CG-CB 4.43Å; L165-F190 HydrophobicContact CG-CD2 4.24Å; V186-F190 PolarHBondContact O-N 2.84Å; T187-F190 PolarHBondContact O-N 3.09Å; F190-I194 HydrophobicContact CD2-CB 4.22Å; F190-I194 HydrophobicContact CD2-CD1 4.37Å; F190-I194 HydrophobicContact CD2-CG2 4.49Å; F190-I194 HydrophobicContact CE2-CG2 4.38Å; F190-I194 CarbonylContact O-C 3.6Å; F190-I194 PolarHBondContact O-N 3.18Å; F190-I194 VanDerWaalsContact O-N 3.1Å; F190-A195 HydrophobicContact CD1-CB 4.31Å; F190-A195 HydrophobicContact CE1-CB 4.08Å; F190-A195 WeakPolarHBondContact O-CB 3.39Å; F190-A195 PolarHBondContact O-N 2.88Å; F190-F198 HydrophobicContact CE2-CD2 4.37Å; F190-F198 AromaticContact CE2-CE2 3.77Å; F190-F198 HydrophobicContact CE2-CE2 3.77Å; F190-F198 HydrophobicContact CZ-CD2 4.21Å; F190-F198 AromaticContact CZ-CE2 3.97Å; F190-F198 HydrophobicContact CZ-CE2 3.97Å
191F81.3Confident78.7Confident116 Ų11665.2 Ų65.251%0.50937%0.374SS..Iπ-helixtrans-76.4-30.4-176.2-72.2-65.3000114.2T187 A195T187-F191 HydrophobicContact CG2-CD2 3.57Å; T187-F191 HydrophobicContact CG2-CE2 3.6Å; T187-F191 VanDerWaalsContact O-CD2 3.3Å; T187-F191 WeakPolarHBondContact O-CD2 3.33Å; T187-F191 PolarHBondContact O-N 3.35Å; F191-A195 HydrophobicContact CD1-CB 4.03Å
192G78.4Confident78Confident53 Ų5364.4 Ų64.455%0.54637%0.366SS..Iπ-helixtrans-80.3-31.1-178.900000113.5G188G188-G192 WeakPolarHBondContact O-CA 3.44Å; G188-G192 PolarHBondContact O-N 2.85Å
193E74.3Confident77.2Confident95 Ų9568.1 Ų68.144%0.44439%0.388SS..Iπ-helixtrans-124.8-31.9-166.6-49-176.2172.700113.6I147 L189I147-E193 HydrophobicContact CD1-CB 3.26Å; I147-E193 HydrophobicContact CD1-CG 4.47Å; I147-E193 VanDerWaalsContact CD1-O 3.32Å; I147-E193 WeakPolarHBondContact CD1-O 3.44Å; I147-E193 HydrophobicContact CG1-CB 3.57Å; I147-E193 HydrophobicContact CG1-CG 4.32Å; I147-E193 WeakPolarHBondContact CG1-OE2 3.42Å; L189-E193 WeakPolarHBondContact O-CB 3.02Å; L189-E193 PolarHBondContact O-N 3.03Å
194I68.9Low76.2Confident2 Ų265.5 Ų65.51%0.0138%0.382CS..Iπ-helixtrans-105-44.6-174-50.9179.6000112.3V146 I147 Y150 L165 F190 V196 G197 F198V146-I194 HydrophobicContact CG1-CD1 3.77Å; I147-I194 HydrophobicContact CD1-CG1 3.8Å; Y150-I194 HydrophobicContact CD2-CG2 3.78Å; Y150-I194 HydrophobicContact CE2-CG2 3.64Å; Y150-I194 HydrophobicContact CG-CG2 4.27Å; L165-I194 HydrophobicContact CD1-CD1 3.86Å; L165-I194 HydrophobicContact CD2-CD1 3.57Å; L165-I194 HydrophobicContact CG-CD1 3.82Å; F190-I194 HydrophobicContact CD2-CB 4.22Å; F190-I194 HydrophobicContact CD2-CD1 4.37Å; F190-I194 HydrophobicContact CD2-CG2 4.49Å; F190-I194 HydrophobicContact CE2-CG2 4.38Å; F190-I194 CarbonylContact O-C 3.6Å; F190-I194 PolarHBondContact O-N 3.18Å; F190-I194 VanDerWaalsContact O-N 3.1Å; I194-V196 PolarHBondContact O-N 3.37Å; I194-G197 PolarHBondContact O-N 3.12Å; I194-F198 HydrophobicContact CG2-CD2 4.05Å; I194-F198 HydrophobicContact CG2-CE2 3.56Å
195A69.6Low75.3Confident28 Ų2864.2 Ų64.223%0.23137%0.373CS..G310 helixtrans-61.3-19.7-178.500000113F190 F191 G197 F198F190-A195 HydrophobicContact CD1-CB 4.31Å; F190-A195 HydrophobicContact CE1-CB 4.08Å; F190-A195 WeakPolarHBondContact O-CB 3.39Å; F190-A195 PolarHBondContact O-N 2.88Å; F191-A195 HydrophobicContact CD1-CB 4.03Å; A195-G197 PolarHBondContact O-N 3.1Å; A195-F198 PolarHBondContact O-N 3.09Å
196V58.5Low74.1Confident116 Ų11660.2 Ų60.270%0.70337%0.368SS*.G310 helixtrans-68.7-19.7173.7-160.90000111.7I194I194-V196 PolarHBondContact O-N 3.37Å
197G48.3Very low72.7Confident52 Ų5263.8 Ų63.854%0.53639%0.39SS..G310 helixtrans-102.3-0.5176.200000115.6I194 A195I194-G197 PolarHBondContact O-N 3.12Å; A195-G197 PolarHBondContact O-N 3.1Å
198F44.9Very low71.3Confident142 Ų14264.6 Ų64.662%0.62340%0.395SS*.  trans-93.50172.2-81.6-76.2000111.5V162 F190 I194 A195V162-F198 WeakPolarHBondContact O-CE1 3.47Å; V162-F198 WeakPolarHBondContact O-CZ 3.26Å; F190-F198 HydrophobicContact CE2-CD2 4.37Å; F190-F198 AromaticContact CE2-CE2 3.77Å; F190-F198 HydrophobicContact CE2-CE2 3.77Å; F190-F198 HydrophobicContact CZ-CD2 4.21Å; F190-F198 AromaticContact CZ-CE2 3.97Å; F190-F198 HydrophobicContact CZ-CE2 3.97Å; I194-F198 HydrophobicContact CG2-CD2 4.05Å; I194-F198 HydrophobicContact CG2-CE2 3.56Å; A195-F198 PolarHBondContact O-N 3.09Å

Retrieved 198 of 198 residues in 82.4 ms (Link to these results)

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