A0A087XAU0_POEFO Loading...

Growth hormone receptor b

AlphaFold DB , UniProt , Accession A0A087XAU0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 537 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M57.2Low69.4Low218 Ų218103.7 Ų103.7100%1.07461%0.612SS**  0-22.70-65.4175.879.700113.3
2T58.7Low69Low125 Ų125105 Ų10577%0.76760%0.604SS**Hα-helixtrans-74-31.2-179.747.70000114.7A4 L6T2-A4 PolarHBondContact O-N 2.65Å; T2-L6 PolarHBondContact O-N 3.38Å
3S65.6Low68.6Low99 Ų99105.2 Ų105.269%0.69260%0.601SS**Hα-helixtrans-69.4-32.2-179.7-169.40000113.9A7S3-A7 WeakPolarHBondContact O-CB 3.48Å; S3-A7 PolarHBondContact O-N 3.18Å
4A70.9Confident67.9Low63 Ų63107.4 Ų107.452%0.52160%0.603SS.*Hα-helixtrans-74.2-37.918000000111.5T2 A7 L8T2-A4 PolarHBondContact O-N 2.65Å; A4-A7 PolarHBondContact O-N 3.43Å; A4-L8 WeakPolarHBondContact O-CB 3.35Å; A4-L8 PolarHBondContact O-N 3.09Å
5A72.8Confident67.4Low64 Ų64106.9 Ų106.953%0.52960%0.604SS.*Hα-helixtrans-66.1-37.9176.200000112.1L8 L9A5-L8 PolarHBondContact O-N 3.45Å; A5-L9 WeakPolarHBondContact O-CB 3.33Å; A5-L9 PolarHBondContact O-N 3.48Å
6L73.3Confident66.6Low113 Ų113109.5 Ų109.559%0.59261%0.606SS**Hα-helixtrans-69.3-39.3177.2-141.8108.1000112T2 L9 L10T2-L6 PolarHBondContact O-N 3.38Å; L6-L9 PolarHBondContact O-N 3.03Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 WeakPolarHBondContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.03Å
7A75.6Confident65.5Low50 Ų50106.2 Ų106.241%0.41360%0.603SS.*Hα-helixtrans-65.8-40.4175.300000111.9S3 A4 L10 L11S3-A7 WeakPolarHBondContact O-CB 3.48Å; S3-A7 PolarHBondContact O-N 3.18Å; A4-A7 PolarHBondContact O-N 3.43Å; A7-L10 PolarHBondContact O-N 3.01Å; A7-L11 WeakPolarHBondContact O-CB 3.31Å; A7-L11 PolarHBondContact O-N 3.31Å
8L74.8Confident64.4Low100 Ų100108.7 Ų108.752%0.52461%0.614SS.*Hα-helixtrans-65.6-39.8173.5-100.8140.3000112.2A4 A5 L11 F12A4-L8 WeakPolarHBondContact O-CB 3.35Å; A4-L8 PolarHBondContact O-N 3.09Å; A5-L8 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-F12 HydrophobicContact CD2-CD2 4.33Å; L8-F12 HydrophobicContact CD2-CE2 4.19Å; L8-F12 WeakPolarHBondContact O-CB 3.32Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 PolarHBondContact O-N 2.82Å
9L73.4Confident63.6Low111 Ų111111.7 Ų111.758%0.58162%0.622SS**Hα-helixtrans-65.6-40.1175.9-160.187000111.7A5 L6 F12 L13A5-L9 WeakPolarHBondContact O-CB 3.33Å; A5-L9 PolarHBondContact O-N 3.48Å; L6-L9 PolarHBondContact O-N 3.03Å; L9-F12 PolarHBondContact O-N 3.22Å; L9-L13 HydrophobicContact CD2-CD1 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.05Å
10L71.4Confident62.8Low90 Ų90111.3 Ų111.347%0.47163%0.627SS.*Hα-helixtrans-68.9-36175.6-73.4168.2000112.3L6 A7 L13 H14L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 WeakPolarHBondContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.03Å; A7-L10 PolarHBondContact O-N 3.01Å; L10-L13 PolarHBondContact O-N 3.36Å; L10-H14 WeakPolarHBondContact O-CB 3.46Å; L10-H14 PolarHBondContact O-N 2.82Å; L10-H14 PolarHBondContact O-ND1 3.41Å
11L69.4Low62.4Low108 Ų108114.3 Ų114.357%0.56564%0.636SS**Hα-helixtrans-65.6-43.6170.8-104.9151.6000111.4A7 L8 H14 V15A7-L11 WeakPolarHBondContact O-CB 3.31Å; A7-L11 PolarHBondContact O-N 3.31Å; L8-L11 PolarHBondContact O-N 2.94Å; L11-H14 PolarHBondContact O-N 3.36Å; L11-V15 WeakPolarHBondContact O-CB 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.25Å; L11-V15 PolarHBondContact O-N 3.43Å
12F65.1Low62.4Low119 Ų119109.2 Ų109.252%0.52262%0.62SS.*Hα-helixtrans-61.3-44.7173.2-99.2-94.7000110.8L8 L9 H14 V15 F16L8-F12 HydrophobicContact CD2-CD2 4.33Å; L8-F12 HydrophobicContact CD2-CE2 4.19Å; L8-F12 WeakPolarHBondContact O-CB 3.32Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 PolarHBondContact O-N 2.82Å; L9-F12 PolarHBondContact O-N 3.22Å; F12-H14 VanDerWaalsContact C-N 3.31Å; F12-H14 PolarHBondContact O-N 3.06Å; F12-V15 PolarHBondContact O-N 2.83Å; F12-F16 AromaticContact CD1-CD2 3.86Å; F12-F16 HydrophobicContact CD1-CD2 3.86Å; F12-F16 AromaticContact CD1-CE2 3.49Å; F12-F16 HydrophobicContact CD1-CE2 3.49Å; F12-F16 VanDerWaalsContact CD1-CE2 3.49Å; F12-F16 AromaticContact CE1-CE2 3.8Å; F12-F16 HydrophobicContact CE1-CE2 3.8Å; F12-F16 WeakPolarHBondContact O-CB 3.5Å; F12-F16 VanDerWaalsContact O-CD2 3.27Å; F12-F16 WeakPolarHBondContact O-CD2 3.33Å; F12-F16 PolarHBondContact O-N 3.46Å
13L63.7Low62.5Low108 Ų108110.5 Ų110.557%0.56562%0.622SS**Hα-helixtrans-66.5-29.5176.1-71.7166000113.1L9 L10 G17L9-L13 HydrophobicContact CD2-CD1 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.05Å; L10-L13 PolarHBondContact O-N 3.36Å; L13-G17 VanDerWaalsContact O-CA 3.29Å; L13-G17 WeakPolarHBondContact O-CA 3.34Å; L13-G17 PolarHBondContact O-N 3.25Å
14H58.8Low62.6Low135 Ų135109.1 Ų109.163%0.62562%0.617SS**Hα-helixtrans-75.4-37.1172.1-85.560.1000112.6L10 L11 F12 G17 L18L10-H14 WeakPolarHBondContact O-CB 3.46Å; L10-H14 PolarHBondContact O-N 2.82Å; L10-H14 PolarHBondContact O-ND1 3.41Å; L11-H14 PolarHBondContact O-N 3.36Å; F12-H14 VanDerWaalsContact C-N 3.31Å; F12-H14 PolarHBondContact O-N 3.06Å; H14-G17 PolarHBondContact O-N 3.43Å; H14-L18 PolarHBondContact O-N 2.71Å
15V60.2Low63Low101 Ų101109.6 Ų109.661%0.61261%0.613SS**Hα-helixtrans-72.8-36.41781730000111.2L11 F12L11-V15 WeakPolarHBondContact O-CB 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.25Å; L11-V15 PolarHBondContact O-N 3.43Å; F12-V15 PolarHBondContact O-N 2.83Å
16F55Low63.5Low148 Ų148115.5 Ų115.565%0.64962%0.621SS**Hα-helixtrans-85.4-14.7173.3-78-85.3000113.5F12F12-F16 AromaticContact CD1-CD2 3.86Å; F12-F16 HydrophobicContact CD1-CD2 3.86Å; F12-F16 AromaticContact CD1-CE2 3.49Å; F12-F16 HydrophobicContact CD1-CE2 3.49Å; F12-F16 VanDerWaalsContact CD1-CE2 3.49Å; F12-F16 AromaticContact CE1-CE2 3.8Å; F12-F16 HydrophobicContact CE1-CE2 3.8Å; F12-F16 WeakPolarHBondContact O-CB 3.5Å; F12-F16 VanDerWaalsContact O-CD2 3.27Å; F12-F16 WeakPolarHBondContact O-CD2 3.33Å; F12-F16 PolarHBondContact O-N 3.46Å
17G48.3Very low64.2Low54 Ų54110.2 Ų110.256%0.55759%0.594SS**Hα-helixtrans-83.7-11.7175.900000114.3L13 H14 Q19L13-G17 VanDerWaalsContact O-CA 3.29Å; L13-G17 WeakPolarHBondContact O-CA 3.34Å; L13-G17 PolarHBondContact O-N 3.25Å; H14-G17 PolarHBondContact O-N 3.43Å; G17-Q19 PolarHBondContact O-N 3.26Å
18L45.3Very low65Low151 Ų151111 Ų11179%0.79159%0.588SS**  trans-78.559.3161.9-9976.5000109.5H14 S20H14-L18 PolarHBondContact O-N 2.71Å; L18-S20 PolarHBondContact O-N 2.69Å; L18-S20 VanDerWaalsContact O-N 3.16Å
19Q48.6Very low65.8Low166 Ų166106.9 Ų106.978%0.77657%0.567SS**  trans-62.6116.5155.8-152.4106.28.500105G17 Q21G17-Q19 PolarHBondContact O-N 3.26Å; Q19-Q21 PolarHBondContact O-N 3.49Å
20S47.3Very low66.8Low103 Ų103105.7 Ų105.772%0.7256%0.564SS**  trans-43.3112.9170.753.90000108.3L18L18-S20 PolarHBondContact O-N 2.69Å; L18-S20 VanDerWaalsContact O-N 3.16Å
21Q54.3Low67.7Low174 Ų174102.9 Ų102.981%0.81356%0.557SS**PPolyproline II helixtrans-51.4126.1167.4-155.4174.4-1100105.3Q19 D23Q19-Q21 PolarHBondContact O-N 3.49Å; Q21-D23 PolarHBondContact O-N 3.09Å
22P57.4Low68.9Low112 Ų11298.2 Ų98.273%0.72753%0.534SS*.PPolyproline II helixtrans-55121.4179.521.5-30.6000106.6A24P22-A24 PolarHBondContact O-N 3.41Å
23D60.6Low70.3Confident151 Ų15194.7 Ų94.781%0.80752%0.522SS*.PPolyproline II helixtrans-49122.9179.3-82.2-40000107.4Q21 V25Q21-D23 PolarHBondContact O-N 3.09Å; D23-V25 PolarHBondContact O-N 2.85Å
24A68.4Low71.8Confident71 Ų7189.6 Ų89.659%0.58750%0.495SS*.  trans-63.3103-176.100000108.5P22 R26 S48P22-A24 PolarHBondContact O-N 3.41Å; A24-R26 PolarHBondContact O-N 3.45Å; A24-S48 VanDerWaalsContact CA-OG 3.31Å; A24-S48 WeakPolarHBondContact CA-OG 3.44Å
25V78.4Confident73.5Confident72 Ų7286.9 Ų86.944%0.43648%0.48SS..PPolyproline II helixtrans-66.2116.9178.4-177.90000107.4D23 S48D23-V25 PolarHBondContact O-N 2.85Å; V25-S48 PolarHBondContact N-OG 3.47Å; V25-S48 PolarHBondContact O-N 2.95Å; V25-S48 VanDerWaalsContact O-N 3.14Å
26R84.5Confident75Confident188 Ų18883.1 Ų83.171%0.70946%0.456SS*.PPolyproline II helixtrans-72.3159.8176.2-65.8-176.4-176.8-171.71.3110.3A24 H28A24-R26 PolarHBondContact O-N 3.45Å; R26-H28 PolarHBondContact O-N 3.3Å; R26-H28 PolarHBondContact O-ND1 3.07Å
27P88.4Confident76.7Confident2 Ų276.6 Ų76.61%0.01343%0.427CS..PPolyproline II helixtrans-53.3132.8170.2-24.232.3000111.1S45 L52 L58 L106 Y115P27-S45 CarbonylContact C-O 3.38Å; P27-S45 WeakPolarHBondContact CA-O 3.07Å; P27-L52 HydrophobicContact CG-CD1 3.46Å; P27-L52 VanDerWaalsContact CG-CD1 3.46Å; P27-L58 HydrophobicContact CB-CD1 3.86Å; P27-L58 HydrophobicContact CB-CD2 3.96Å; P27-L58 HydrophobicContact CG-CD1 4.21Å; P27-L58 HydrophobicContact CG-CD2 4.07Å; P27-L106 HydrophobicContact CB-CD2 3.87Å; P27-Y115 HydrophobicContact CB-CD1 4.15Å; P27-Y115 HydrophobicContact CB-CD2 4.32Å; P27-Y115 HydrophobicContact CB-CG 3.94Å; P27-Y115 HydrophobicContact CG-CD1 3.83Å; P27-Y115 HydrophobicContact CG-CD2 4.41Å; P27-Y115 HydrophobicContact CG-CE1 3.98Å; P27-Y115 HydrophobicContact CG-CG 4.07Å; P27-Y115 WeakPolarHBondContact O-CB 3.44Å
28H91.1Very high78.8Confident66 Ų6677.1 Ų77.131%0.30642%0.415SS..EExtended strand (participates in β ladder)trans-150.1156.2-178.962.1-81.1000110.9R26 W44 S45 D116R26-H28 PolarHBondContact O-N 3.3Å; R26-H28 PolarHBondContact O-ND1 3.07Å; H28-W44 WeakPolarHBondContact O-CA 3.33Å; H28-W44 VanDerWaalsContact O-CB 3.3Å; H28-W44 WeakPolarHBondContact O-CB 3.15Å; H28-S45 PolarHBondContact N-O 2.89Å; H28-S45 PolarHBondContact O-N 3.28Å; H28-D116 WeakPolarHBondContact CA-OD2 3.27Å; H28-D116 HydrophobicContact CB-CB 4.4Å
29L93.1Very high81.1Confident15 Ų1571.1 Ų71.18%0.07939%0.385CS..EExtended strand (participates in β ladder)trans-75.4127.3174.8-71.6125.5000109.2L60 V104 L106 D116 I118L29-L60 HydrophobicContact CD2-CD1 3.99Å; L29-V104 HydrophobicContact CD2-CG1 4Å; L29-L106 HydrophobicContact CD1-CB 4.01Å; L29-L106 HydrophobicContact CG-CB 4.28Å; L29-D116 HydrophobicContact CD1-CB 3.88Å; L29-D116 PolarHBondContact N-OD2 3.46Å; L29-I118 HydrophobicContact CB-CD1 4.17Å; L29-I118 HydrophobicContact CB-CG2 4.4Å; L29-I118 HydrophobicContact CD1-CD1 4.41Å; L29-I118 HydrophobicContact CD1-CG1 4.16Å; L29-I118 HydrophobicContact CD1-CG2 4.2Å; L29-I118 HydrophobicContact CD2-CD1 3.96Å; L29-I118 HydrophobicContact CD2-CG1 4.39Å; L29-I118 HydrophobicContact CG-CD1 4.41Å
30T92.6Very high83.3Confident85 Ų8563.3 Ų63.352%0.52135%0.349SS..EExtended strand (participates in β ladder)trans-84.7-25.917853.50000111.7R43T30-R43 PolarHBondContact N-O 2.92Å; T30-R43 VanDerWaalsContact OG1-C 3.22Å; T30-R43 VanDerWaalsContact OG1-CB 3.24Å; T30-R43 WeakPolarHBondContact OG1-CB 3.49Å; T30-R43 PolarHBondContact OG1-O 3.27Å; T30-R43 VanDerWaalsContact OG1-O 3.05Å
31G92.1Very high85.6Confident31 Ų3160.3 Ų60.332%0.3233%0.325SS..EExtended strand (participates in β ladder)trans154.3164.6176.900000112.6R43G31-R43 PolarHBondContact O-N 2.87Å
32C94.1Very high87.5Confident11 Ų1152 Ų527%0.07429%0.286CS..EExtended strand (participates in β ladder)trans-122.6143.7170.6-58.30000109.2L41 C42 F120 L125C32-L41 CarbonylContact C-O 3.48Å; C32-L41 WeakPolarHBondContact CA-O 3.3Å; C32-C42 HydrophobicContact CB-CB 4.15Å; C32-C42 WeakPolarHBondContact CB-SG 3.47Å; C32-C42 WeakPolarHBondContact SG-CB 3.29Å; C32-C42 CovalentContact SG-SG 2.04Å; C32-C42 PolarHBondContact SG-SG 3.01Å; C32-F120 HydrophobicContact CB-CE1 4.16Å; C32-F120 HydrophobicContact CB-CZ 4.21Å; C32-L125 HydrophobicContact CB-CD1 3.51Å; C32-L125 HydrophobicContact CB-CD2 4.32Å
33V94.4Very high89.3Confident45 Ų4551.3 Ų51.327%0.27327%0.269SS..EExtended strand (participates in β ladder)trans-139.2137.9-177.2174.90000109.9F40 L41 Q127V33-F40 WeakPolarHBondContact O-CA 3.49Å; V33-L41 PolarHBondContact N-O 3.45Å; V33-L41 PolarHBondContact O-N 2.9Å; V33-Q127 HydrophobicContact CG1-CB 3.95Å
34S94.7Very high90.8Very high1 Ų144.6 Ų44.61%0.00723%0.232CC..BIsolated β-bridgetrans-115.6129.6168.7-177.10000109.9M37 T39 L125 V126 Q127S34-M37 VanDerWaalsContact OG-CA 3.27Å; S34-M37 WeakPolarHBondContact OG-CA 3.44Å; S34-M37 PolarHBondContact OG-N 2.92Å; S34-T39 WeakPolarHBondContact CA-O 3.28Å; S34-T39 VanDerWaalsContact CB-O 3.29Å; S34-T39 WeakPolarHBondContact CB-O 3.43Å; S34-T39 PolarHBondContact OG-O 2.93Å; S34-L125 PolarHBondContact N-O 2.92Å; S34-V126 CarbonylContact O-C 3.55Å; S34-V126 WeakPolarHBondContact O-CA 3.35Å; S34-Q127 CarbonylContact O-C 3.51Å; S34-Q127 PolarHBondContact O-N 3.42Å
35R93.9Very high91.9Very high78 Ų7843.5 Ų43.529%0.29422%0.22SC..SBendtrans-89-36.9177.8-63.7-53.9-160-179.95.5112.6Q127 P128 D129 D221R35-Q127 WeakPolarHBondContact CD-O 3.32Å; R35-Q127 PolarHBondContact NH1-O 3.47Å; R35-P128 WeakPolarHBondContact O-CA 3.34Å; R35-D129 VanDerWaalsContact CD-OD1 3.23Å; R35-D129 WeakPolarHBondContact CD-OD1 3.25Å; R35-D129 IonicContact CZ-OD1 3.83Å; R35-D129 IonicContact NE-OD1 3.03Å; R35-D129 PolarHBondContact NE-OD1 3.47Å; R35-D221 IonicContact CZ-OD2 3.61Å; R35-D221 IonicContact NH1-OD2 3.72Å; R35-D221 IonicContact NH2-OD2 3.81Å; R35-D221 PolarHBondContact NH2-OD2 2.87Å
36N92Very high92.2Very high21 Ų2141.7 Ų41.711%0.11221%0.212CC..SBendtrans-120.33.7-171.365.4-16.6000114.4E38 T39 T159 W166 M167N36-E38 PolarHBondContact ND2-OE2 3.22Å; N36-E38 PolarHBondContact O-N 2.92Å; N36-E38 VanDerWaalsContact O-N 3.11Å; N36-E38 PolarHBondContact OD1-N 3.49Å; N36-T39 PolarHBondContact OD1-N 2.86Å; N36-T39 PolarHBondContact OD1-OG1 3.33Å; N36-T159 WeakPolarHBondContact CB-O 2.9Å; N36-W166 PolarHBondContact O-NE1 3.26Å; N36-W166 VanDerWaalsContact O-NE1 3.16Å; N36-M167 VanDerWaalsContact C-SD 3.58Å; N36-M167 HydrophobicContact CB-SD 4.47Å; N36-M167 VanDerWaalsContact O-SD 3.38Å
37M91.8Very high92Very high11 Ų1134.4 Ų34.45%0.05420%0.196CC..SBendtrans63.18.2-174.1-161.1170.5173.100114.7S34 V98 E123 V126 M213S34-M37 VanDerWaalsContact OG-CA 3.27Å; S34-M37 WeakPolarHBondContact OG-CA 3.44Å; S34-M37 PolarHBondContact OG-N 2.92Å; M37-V98 HydrophobicContact CE-CB 4.23Å; M37-V98 HydrophobicContact CE-CG1 4.13Å; M37-V98 HydrophobicContact CG-CG1 3.98Å; M37-V98 VanDerWaalsContact O-CG1 3.25Å; M37-V98 WeakPolarHBondContact O-CG1 3.14Å; M37-E123 HydrophobicContact CE-CB 4.21Å; M37-V126 HydrophobicContact CB-CG2 3.98Å; M37-V126 HydrophobicContact CG-CG2 3.89Å; M37-V126 HydrophobicContact SD-CG2 4.19Å; M37-M213 HydrophobicContact SD-CE 4.31Å; M37-M213 HydrophobicContact SD-SD 3.58Å
38E92.1Very high91.3Very high65 Ų6537.3 Ų37.330%0.30422%0.216SC..SBendtrans-113.1-24.9177.5-56.3170.2148.700112.3N36 E93 T96 W166N36-E38 PolarHBondContact ND2-OE2 3.22Å; N36-E38 PolarHBondContact O-N 2.92Å; N36-E38 VanDerWaalsContact O-N 3.11Å; N36-E38 PolarHBondContact OD1-N 3.49Å; E38-E93 HydrophobicContact CB-CG 4.26Å; E38-T96 WeakPolarHBondContact O-CB 3.44Å; E38-T96 WeakPolarHBondContact O-CG2 3.22Å; E38-T96 PolarHBondContact O-OG1 2.86Å; E38-W166 HydrophobicContact CG-CZ2 3.97Å; E38-W166 VanDerWaalsContact CG-NE1 3.35Å
39T94.1Very high90.1Very high26 Ų2637.9 Ų37.916%0.1622%0.218CC..  trans-132.8152.1177.163.70000109.1S34 N36 F90 F91 E93S34-T39 WeakPolarHBondContact CA-O 3.28Å; S34-T39 VanDerWaalsContact CB-O 3.29Å; S34-T39 WeakPolarHBondContact CB-O 3.43Å; S34-T39 PolarHBondContact OG-O 2.93Å; N36-T39 PolarHBondContact OD1-N 2.86Å; N36-T39 PolarHBondContact OD1-OG1 3.33Å; T39-F90 HydrophobicContact CG2-CE2 4.47Å; T39-F90 HydrophobicContact CG2-CZ 3.94Å; T39-F91 WeakPolarHBondContact CA-O 3.41Å; T39-F91 VanDerWaalsContact CB-O 3.31Å; T39-F91 WeakPolarHBondContact CB-O 3.42Å; T39-E93 HydrophobicContact CG2-CG 4.08Å
40F94.6Very high88.4Confident2 Ų245.2 Ų45.21%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-141.6154.8172.270.1-81.5000111.2V33 F91 T96 Y102 F120 L122V33-F40 WeakPolarHBondContact O-CA 3.49Å; F40-F91 HydrophobicContact CD1-CB 3.64Å; F40-F91 HydrophobicContact CD1-CD2 4.38Å; F40-F91 HydrophobicContact CD1-CG 4.07Å; F40-F91 HydrophobicContact CD2-CB 4.39Å; F40-F91 AromaticContact CD2-CD2 3.62Å; F40-F91 HydrophobicContact CD2-CD2 3.62Å; F40-F91 HydrophobicContact CD2-CE2 4.12Å; F40-F91 HydrophobicContact CD2-CG 4.11Å; F40-F91 HydrophobicContact CE1-CB 3.42Å; F40-F91 VanDerWaalsContact CE1-CB 3.42Å; F40-F91 AromaticContact CE1-CD1 3.87Å; F40-F91 HydrophobicContact CE1-CD1 3.87Å; F40-F91 HydrophobicContact CE1-CD2 4.04Å; F40-F91 AromaticContact CE1-CG 3.51Å; F40-F91 HydrophobicContact CE1-CG 3.51Å; F40-F91 HydrophobicContact CE2-CB 4.21Å; F40-F91 HydrophobicContact CE2-CD1 4.07Å; F40-F91 AromaticContact CE2-CD2 3.2Å; F40-F91 HydrophobicContact CE2-CD2 3.2Å; F40-F91 HydrophobicContact CE2-CE1 4.21Å; F40-F91 AromaticContact CE2-CE2 3.41Å; F40-F91 HydrophobicContact CE2-CE2 3.41Å; F40-F91 VanDerWaalsContact CE2-CE2 3.41Å; F40-F91 AromaticContact CE2-CG 3.56Å; F40-F91 HydrophobicContact CE2-CG 3.56Å; F40-F91 AromaticContact CE2-CZ 3.92Å; F40-F91 HydrophobicContact CE2-CZ 3.92Å; F40-F91 HydrophobicContact CG-CB 4.13Å; F40-F91 HydrophobicContact CG-CD2 4.2Å; F40-F91 HydrophobicContact CG-CG 4.35Å; F40-F91 HydrophobicContact CZ-CB 3.74Å; F40-F91 AromaticContact CZ-CD1 3.43Å; F40-F91 HydrophobicContact CZ-CD1 3.43Å; F40-F91 VanDerWaalsContact CZ-CD1 3.43Å; F40-F91 AromaticContact CZ-CD2 3.45Å; F40-F91 HydrophobicContact CZ-CD2 3.45Å; F40-F91 VanDerWaalsContact CZ-CD2 3.45Å; F40-F91 AromaticContact CZ-CE1 3.79Å; F40-F91 HydrophobicContact CZ-CE1 3.79Å; F40-F91 AromaticContact CZ-CE2 3.82Å; F40-F91 HydrophobicContact CZ-CE2 3.82Å; F40-F91 AromaticContact CZ-CG 3.24Å; F40-F91 HydrophobicContact CZ-CG 3.24Å; F40-F91 AromaticContact CZ-CZ 3.97Å; F40-F91 HydrophobicContact CZ-CZ 3.97Å; F40-F91 PolarHBondContact N-O 3Å; F40-F91 WeakPolarHBondContact O-CB 3.4Å; F40-F91 PolarHBondContact O-N 2.82Å; F40-T96 HydrophobicContact CD1-CG2 3.8Å; F40-T96 HydrophobicContact CE1-CG2 4.13Å; F40-Y102 HydrophobicContact CE1-CD1 4.46Å; F40-Y102 HydrophobicContact CE1-CE1 4.07Å; F40-Y102 AromaticContact CZ-CD1 3.92Å; F40-Y102 HydrophobicContact CZ-CD1 3.92Å; F40-Y102 AromaticContact CZ-CE1 3.91Å; F40-Y102 HydrophobicContact CZ-CE1 3.91Å; F40-Y102 HydrophobicContact CZ-CG 4.41Å; F40-F120 HydrophobicContact CD2-CZ 4.4Å; F40-F120 HydrophobicContact CE2-CE2 4.28Å; F40-F120 AromaticContact CE2-CZ 3.98Å; F40-F120 HydrophobicContact CE2-CZ 3.98Å; F40-L122 HydrophobicContact CB-CD2 4.45Å; F40-L122 HydrophobicContact CD1-CD2 3.54Å; F40-L122 HydrophobicContact CE1-CD2 3.81Å; F40-L122 HydrophobicContact CG-CD2 3.95Å; F40-L122 HydrophobicContact CZ-CD2 4.41Å
41L94.8Very high86.8Confident40 Ų4047.6 Ų47.621%0.20926%0.262CS..EExtended strand (participates in β ladder)trans-124129.6-178.3-177.479.6000108.4C32 V33 R43 E88 C89 F90C32-L41 CarbonylContact C-O 3.48Å; C32-L41 WeakPolarHBondContact CA-O 3.3Å; V33-L41 PolarHBondContact N-O 3.45Å; V33-L41 PolarHBondContact O-N 2.9Å; L41-R43 HydrophobicContact CD2-CG 4.32Å; L41-R43 HydrophobicContact CG-CG 4.47Å; L41-E88 HydrophobicContact CD1-CB 4.23Å; L41-C89 WeakPolarHBondContact CA-O 3.27Å; L41-C89 WeakPolarHBondContact CD1-O 3.39Å; L41-F90 HydrophobicContact CD1-CB 3.93Å; L41-F90 HydrophobicContact CD1-CD2 4.2Å
42C95.3Very high85.4Confident0 Ų047.2 Ų47.20%025%0.252CS..EExtended strand (participates in β ladder)trans-109.5139.9172.1-69.90000110.5C32 L60 C89 F91C32-C42 HydrophobicContact CB-CB 4.15Å; C32-C42 WeakPolarHBondContact CB-SG 3.47Å; C32-C42 WeakPolarHBondContact SG-CB 3.29Å; C32-C42 CovalentContact SG-SG 2.04Å; C32-C42 PolarHBondContact SG-SG 3.01Å; C42-L60 HydrophobicContact CB-CD1 3.92Å; C42-C89 PolarHBondContact N-O 3.45Å; C42-C89 PolarHBondContact O-N 3.37Å; C42-F91 HydrophobicContact CB-CE2 4.39Å
43R94.6Very high83.4Confident97 Ų9751.9 Ų51.937%0.36628%0.28SS..EExtended strand (participates in β ladder)trans-124.3148.4179.8-58-168.8169.3-179.5-12.4110.7T30 G31 L41 E88T30-R43 PolarHBondContact N-O 2.92Å; T30-R43 VanDerWaalsContact OG1-C 3.22Å; T30-R43 VanDerWaalsContact OG1-CB 3.24Å; T30-R43 WeakPolarHBondContact OG1-CB 3.49Å; T30-R43 PolarHBondContact OG1-O 3.27Å; T30-R43 VanDerWaalsContact OG1-O 3.05Å; G31-R43 PolarHBondContact O-N 2.87Å; L41-R43 HydrophobicContact CD2-CG 4.32Å; L41-R43 HydrophobicContact CG-CG 4.47Å; R43-E88 HydrophobicContact CG-CB 4.48Å; R43-E88 HydrophobicContact CG-CG 3.91Å; R43-E88 VanDerWaalsContact CZ-CD 3.46Å; R43-E88 IonicContact CZ-OE1 3.67Å; R43-E88 IonicContact CZ-OE2 3.3Å; R43-E88 IonicContact NE-OE1 2.97Å; R43-E88 PolarHBondContact NE-OE1 3.37Å; R43-E88 IonicContact NE-OE2 3.06Å; R43-E88 PolarHBondContact NE-OE2 2.9Å; R43-E88 IonicContact NH1-OE1 3.48Å; R43-E88 VanDerWaalsContact NH2-CD 3.34Å; R43-E88 IonicContact NH2-OE1 2.99Å; R43-E88 PolarHBondContact NH2-OE1 2.98Å; R43-E88 IonicContact NH2-OE2 3.58Å; R43-E88 PolarHBondContact NH2-OE2 2.81Å
44W93Very high81.7Confident10 Ų1056.6 Ų56.64%0.03830%0.299CS..EExtended strand (participates in β ladder)trans-138.7162.7174.861.592.4000111.5H28 L60 Y81 P86 D87 C89 L106H28-W44 WeakPolarHBondContact O-CA 3.33Å; H28-W44 VanDerWaalsContact O-CB 3.3Å; H28-W44 WeakPolarHBondContact O-CB 3.15Å; W44-L60 HydrophobicContact CE3-CD1 3.72Å; W44-L60 HydrophobicContact CH2-CB 4.46Å; W44-L60 HydrophobicContact CZ3-CB 4.21Å; W44-L60 HydrophobicContact CZ3-CD1 3.71Å; W44-Y81 AromaticContact CH2-CD1 3.71Å; W44-Y81 HydrophobicContact CH2-CD1 3.71Å; W44-Y81 AromaticContact CH2-CE1 3.56Å; W44-Y81 HydrophobicContact CH2-CE1 3.56Å; W44-Y81 HydrophobicContact CZ2-CD1 4.19Å; W44-Y81 AromaticContact CZ2-CE1 3.94Å; W44-Y81 HydrophobicContact CZ2-CE1 3.94Å; W44-P86 WeakPolarHBondContact CZ2-O 3.11Å; W44-D87 VanDerWaalsContact CD2-O 3.23Å; W44-D87 VanDerWaalsContact CE2-CA 3.47Å; W44-D87 VanDerWaalsContact CH2-C 3.48Å; W44-D87 VanDerWaalsContact CZ2-CA 3.47Å; W44-D87 WeakPolarHBondContact CZ3-O 3.43Å; W44-D87 PolarHBondContact N-O 3.43Å; W44-D87 VanDerWaalsContact N-O 3.15Å; W44-C89 HydrophobicContact CH2-CB 4.07Å; W44-C89 HydrophobicContact CZ3-CB 3.67Å; W44-L106 HydrophobicContact CB-CD1 4.23Å; W44-L106 HydrophobicContact CB-CD2 3.86Å; W44-L106 HydrophobicContact CD2-CD1 3.98Å; W44-L106 HydrophobicContact CG-CD1 3.75Å; W44-L106 HydrophobicContact CG-CD2 4.1Å
45S90.4Very high79.8Confident47 Ų4761 Ų6133%0.32933%0.328SS..EExtended strand (participates in β ladder)trans-121.5137.7172.7177.60000109.3P27 H28 G47P27-S45 CarbonylContact C-O 3.38Å; P27-S45 WeakPolarHBondContact CA-O 3.07Å; H28-S45 PolarHBondContact N-O 2.89Å; H28-S45 PolarHBondContact O-N 3.28Å; S45-G47 PolarHBondContact O-N 3.47Å; S45-G47 PolarHBondContact OG-N 3.38Å
46A85.3Confident78.2Confident34 Ų3464.3 Ų64.328%0.28134%0.344SS..  trans-72.4-8.6172.600000112.9L58A46-L58 HydrophobicContact CB-CD1 4.05Å
47G80.8Confident77.5Confident35 Ų3565.1 Ų65.136%0.36135%0.349SS..THydrogen-bonded Turntrans65-147.7-178.300000112.7S45 F49S45-G47 PolarHBondContact O-N 3.47Å; S45-G47 PolarHBondContact OG-N 3.38Å; G47-F49 VanDerWaalsContact C-N 3.25Å; G47-F49 PolarHBondContact O-N 2.93Å
48S72.8Confident77.3Confident64 Ų6465.3 Ų65.345%0.44835%0.35SS..THydrogen-bonded Turntrans-88.110.8178.1550000113.1A24 V25 Q50A24-S48 VanDerWaalsContact CA-OG 3.31Å; A24-S48 WeakPolarHBondContact CA-OG 3.44Å; V25-S48 PolarHBondContact N-OG 3.47Å; V25-S48 PolarHBondContact O-N 2.95Å; V25-S48 VanDerWaalsContact O-N 3.14Å; S48-Q50 PolarHBondContact O-N 3.32Å; S48-Q50 VanDerWaalsContact O-N 3.15Å
49F66.1Low77.2Confident78 Ų7863.7 Ų63.734%0.34234%0.341SS..  trans-80.996.2-175-158.1-93.2000110.7G47 N51 L52G47-F49 VanDerWaalsContact C-N 3.25Å; G47-F49 PolarHBondContact O-N 2.93Å; F49-N51 HydrophobicContact CD1-CB 4.07Å; F49-N51 HydrophobicContact CE1-CB 3.65Å; F49-N51 HydrophobicContact CZ-CB 4.38Å; F49-N51 PolarHBondContact O-N 3.37Å; F49-L52 HydrophobicContact CD1-CB 4.13Å; F49-L52 HydrophobicContact CD1-CD1 3.31Å; F49-L52 HydrophobicContact CD1-CG 3.48Å; F49-L52 VanDerWaalsContact CD1-CG 3.48Å; F49-L52 HydrophobicContact CE1-CD1 3.7Å; F49-L52 HydrophobicContact CE1-CG 3.72Å; F49-L52 HydrophobicContact CG-CD1 4.15Å
50Q57.9Low77.2Confident168 Ų16862.5 Ų62.579%0.78533%0.334SS*.G310 helixtrans-70.1-7.9-175.1-62.7-173.420.600115S48 T53S48-Q50 PolarHBondContact O-N 3.32Å; S48-Q50 VanDerWaalsContact O-N 3.15Å; Q50-T53 PolarHBondContact O-OG1 2.92Å
51N58.9Low77.1Confident136 Ų13662.6 Ų62.673%0.72733%0.334SS*.G310 helixtrans-92.72.7-177.8-71.1-13.4000113.8F49F49-N51 HydrophobicContact CD1-CB 4.07Å; F49-N51 HydrophobicContact CE1-CB 3.65Å; F49-N51 HydrophobicContact CZ-CB 4.38Å; F49-N51 PolarHBondContact O-N 3.37Å
52L61.1Low76.9Confident22 Ų2261.4 Ų61.412%0.11533%0.327CS..G310 helixtrans-120.422.5-178.9-67.4165.6000112.1P27 F49 E54 D57 L58 Y115P27-L52 HydrophobicContact CG-CD1 3.46Å; P27-L52 VanDerWaalsContact CG-CD1 3.46Å; F49-L52 HydrophobicContact CD1-CB 4.13Å; F49-L52 HydrophobicContact CD1-CD1 3.31Å; F49-L52 HydrophobicContact CD1-CG 3.48Å; F49-L52 VanDerWaalsContact CD1-CG 3.48Å; F49-L52 HydrophobicContact CE1-CD1 3.7Å; F49-L52 HydrophobicContact CE1-CG 3.72Å; F49-L52 HydrophobicContact CG-CD1 4.15Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.31Å; L52-D57 HydrophobicContact CD2-CB 3.82Å; L52-L58 HydrophobicContact CD1-CD2 4.19Å; L52-Y115 HydrophobicContact CD1-CE1 4.24Å; L52-Y115 HydrophobicContact CD1-CE2 4.4Å
53T54Low76.6Confident110 Ų11062.9 Ų62.968%0.67533%0.333SS*.  trans-80.3-4-169.4-34.90000113.3Q50Q50-T53 PolarHBondContact O-OG1 2.92Å
54E57.6Low76.1Confident144 Ų14459.1 Ų59.167%0.67332%0.321SS*.SBendtrans-75129.4170.6-67.3-169.5-176.600109.8L52 K56 D57L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.31Å; E54-K56 PolarHBondContact O-N 3.48Å; E54-D57 PolarHBondContact O-N 2.88Å
55P54.2Low75.1Confident94 Ų9465.5 Ų65.561%0.6135%0.345SS*.THydrogen-bonded Turntrans-67.285.2173.727.7-32.2000107.9P86P55-P86 HydrophobicContact CB-CB 4.28Å; P55-P86 HydrophobicContact CB-CG 4.08Å
56K60.8Low73.8Confident146 Ų14666.8 Ų66.864%0.63535%0.351SS*.THydrogen-bonded Turntrans159.17.4166.4-89.8164.6-173.5-177.10113.9E54 R59E54-K56 PolarHBondContact O-N 3.48Å; K56-R59 VanDerWaalsContact CG-NH2 3.33Å; K56-R59 PolarHBondContact O-NH1 2.9Å; K56-R59 PolarHBondContact O-NH2 3.26Å
57D77.7Confident72.5Confident38 Ų3870.9 Ų70.920%0.20337%0.367CS..SBendtrans-84-23.9180-72.5-21.6000114.7L52 E54 S108 R109L52-D57 HydrophobicContact CD2-CB 3.82Å; E54-D57 PolarHBondContact O-N 2.88Å; D57-S108 CarbonylContact O-C 3.54Å; D57-R109 PolarHBondContact O-N 2.97Å
58L87.1Confident71Confident15 Ų1577.1 Ų77.18%0.07939%0.391CS..EExtended strand (participates in β ladder)trans-98.6138.3173-65.5175000110.7P27 A46 L52 L106 Y115P27-L58 HydrophobicContact CB-CD1 3.86Å; P27-L58 HydrophobicContact CB-CD2 3.96Å; P27-L58 HydrophobicContact CG-CD1 4.21Å; P27-L58 HydrophobicContact CG-CD2 4.07Å; A46-L58 HydrophobicContact CB-CD1 4.05Å; L52-L58 HydrophobicContact CD1-CD2 4.19Å; L58-L106 HydrophobicContact CB-CD1 4.21Å; L58-Y115 HydrophobicContact CD2-CD2 3.66Å; L58-Y115 HydrophobicContact CD2-CE2 3.53Å
59R89.9Confident69.9Low32 Ų3278 Ų7812%0.12141%0.411CS..EExtended strand (participates in β ladder)trans-134.7138.2177.4-73.3-64.1-174.2-71.8-21.6110.8K56 F61 E77 Y81 R107K56-R59 VanDerWaalsContact CG-NH2 3.33Å; K56-R59 PolarHBondContact O-NH1 2.9Å; K56-R59 PolarHBondContact O-NH2 3.26Å; R59-F61 HydrophobicContact CB-CD2 4.36Å; R59-F61 HydrophobicContact CB-CE2 3.58Å; R59-F61 HydrophobicContact CB-CZ 4.04Å; R59-E77 WeakPolarHBondContact CD-OE1 3.49Å; R59-E77 IonicContact NE-OE1 3.12Å; R59-E77 PolarHBondContact NE-OE1 3.5Å; R59-E77 VanDerWaalsContact NE-OE1 3.12Å; R59-Y81 WeakPolarHBondContact CD-OH 3.34Å; R59-R107 PolarHBondContact N-O 3.46Å; R59-R107 PolarHBondContact O-N 3.46Å
60L93.4Very high69.1Low0 Ų077.6 Ų77.60%042%0.417CS..EExtended strand (participates in β ladder)trans-99.2126.6177.5-171.3145.1000108.6L29 C42 W44 C78 Y81 C89 F91 V104 Q105L29-L60 HydrophobicContact CD2-CD1 3.99Å; C42-L60 HydrophobicContact CB-CD1 3.92Å; W44-L60 HydrophobicContact CE3-CD1 3.72Å; W44-L60 HydrophobicContact CH2-CB 4.46Å; W44-L60 HydrophobicContact CZ3-CB 4.21Å; W44-L60 HydrophobicContact CZ3-CD1 3.71Å; L60-C78 HydrophobicContact CB-CB 4.32Å; L60-C78 HydrophobicContact CD2-CB 4.38Å; L60-C78 PolarHBondContact O-N 3.28Å; L60-Y81 PolarHBondContact N-OH 3.44Å; L60-C89 HydrophobicContact CD1-CB 4.18Å; L60-C89 HydrophobicContact CD2-CB 4.24Å; L60-F91 HydrophobicContact CD2-CE2 4.22Å; L60-F91 HydrophobicContact CD2-CZ 3.74Å; L60-V104 HydrophobicContact CD1-CG1 3.64Å; L60-V104 HydrophobicContact CD2-CG1 3.52Å; L60-V104 HydrophobicContact CG-CG1 3.49Å; L60-V104 VanDerWaalsContact CG-CG1 3.49Å; L60-Q105 WeakPolarHBondContact CA-O 3.32Å
61F92.6Very high68.8Low5 Ų575.4 Ų75.42%0.02242%0.42CS..EExtended strand (participates in β ladder)trans-115.9144.7174.8-65.9-86.2000108.9R59 W75 D76 E77 V104 Q105 R107 R111R59-F61 HydrophobicContact CB-CD2 4.36Å; R59-F61 HydrophobicContact CB-CE2 3.58Å; R59-F61 HydrophobicContact CB-CZ 4.04Å; F61-W75 HydrophobicContact CB-CE3 4.19Å; F61-D76 CarbonylContact C-O 3.59Å; F61-D76 VanDerWaalsContact CA-O 3.22Å; F61-D76 WeakPolarHBondContact CA-O 3.26Å; F61-E77 HydrophobicContact CD1-CB 4.14Å; F61-E77 HydrophobicContact CE1-CB 3.86Å; F61-E77 HydrophobicContact CE1-CG 4.07Å; F61-E77 HydrophobicContact CZ-CG 4.43Å; F61-V104 CarbonylContact O-C 3.57Å; F61-V104 WeakPolarHBondContact O-CA 3.21Å; F61-Q105 PolarHBondContact N-O 2.9Å; F61-Q105 PolarHBondContact O-N 3.46Å; F61-R107 HydrophobicContact CD2-CB 3.95Å; F61-R107 HydrophobicContact CD2-CG 4.1Å; F61-R107 HydrophobicContact CE2-CB 4.01Å; F61-R111 HydrophobicContact CE2-CG 4.05Å; F61-R111 HydrophobicContact CZ-CG 3.74Å
62Y91.9Very high68.8Low14 Ų1474.3 Ų74.36%0.05542%0.415CS..EExtended strand (participates in β ladder)trans-135.8158.9178.776.6-78.4000111.3D76 F91 H95 Y102 T103Y62-D76 HydrophobicContact CD1-CB 4.1Å; Y62-D76 WeakPolarHBondContact CD1-O 3.41Å; Y62-D76 HydrophobicContact CE1-CB 3.54Å; Y62-D76 HydrophobicContact CE2-CB 4.46Å; Y62-D76 PolarHBondContact N-O 2.63Å; Y62-D76 PolarHBondContact O-N 3.26Å; Y62-F91 AromaticContact CD1-CE1 3.47Å; Y62-F91 HydrophobicContact CD1-CE1 3.47Å; Y62-F91 VanDerWaalsContact CD1-CE1 3.47Å; Y62-F91 HydrophobicContact CD1-CZ 4.04Å; Y62-F91 AromaticContact CD2-CE1 3.9Å; Y62-F91 HydrophobicContact CD2-CE1 3.9Å; Y62-F91 HydrophobicContact CE1-CD1 4.47Å; Y62-F91 AromaticContact CE1-CE1 3.72Å; Y62-F91 HydrophobicContact CE1-CE1 3.72Å; Y62-F91 HydrophobicContact CE2-CE1 4.14Å; Y62-F91 AromaticContact CG-CE1 3.55Å; Y62-F91 HydrophobicContact CG-CE1 3.55Å; Y62-F91 HydrophobicContact CG-CZ 4.09Å; Y62-H95 PolarHBondContact OH-CD2 2.8Å; Y62-Y102 HydrophobicContact CD2-CD1 4.06Å; Y62-Y102 HydrophobicContact CD2-CE1 4.05Å; Y62-Y102 HydrophobicContact CE2-CE1 4.3Å; Y62-T103 CarbonylContact C-O 3.56Å; Y62-T103 VanDerWaalsContact CA-O 3.3Å; Y62-T103 WeakPolarHBondContact CA-O 3.38Å
63F88.6Confident69.1Low31 Ų3180.3 Ų80.314%0.13644%0.44CS..EExtended strand (participates in β ladder)trans-143.5130.4175.6169.7-108.3000108.9R65 T74 W75 Y102 T103F63-R65 HydrophobicContact CD1-CG 4.25Å; F63-R65 HydrophobicContact CE1-CB 4.47Å; F63-R65 HydrophobicContact CE1-CG 3.73Å; F63-T74 WeakPolarHBondContact CD2-O 3.4Å; F63-W75 HydrophobicContact CB-CD2 4.16Å; F63-W75 HydrophobicContact CB-CE3 3.79Å; F63-W75 HydrophobicContact CB-CH2 4.23Å; F63-W75 HydrophobicContact CB-CZ3 3.83Å; F63-Y102 WeakPolarHBondContact O-CA 3.26Å; F63-T103 PolarHBondContact N-O 2.76Å; F63-T103 PolarHBondContact O-N 2.74Å
64N83.6Confident70.3Confident19 Ų1978.4 Ų78.410%0.10243%0.428CS..EExtended strand (participates in β ladder)trans-102.7126.7173-175.9-19.4000109.6V66 T100 Y102N64-V66 PolarHBondContact O-N 2.81Å; N64-V66 PolarHBondContact OD1-N 3.19Å; N64-T100 PolarHBondContact ND2-OG1 3.22Å; N64-T100 WeakPolarHBondContact OD1-CB 3.33Å; N64-T100 PolarHBondContact OD1-OG1 3.47Å; N64-Y102 HydrophobicContact CB-CD1 4.29Å; N64-Y102 HydrophobicContact CB-CE1 3.98Å; N64-Y102 PolarHBondContact ND2-OH 2.83Å
65R71.9Confident71.7Confident144 Ų14474.9 Ų74.954%0.54341%0.409SS..THydrogen-bonded Turntrans-70.2-7.8-178.1-67.4-176-175.1-175.33.7115.2F63 S101F63-R65 HydrophobicContact CD1-CG 4.25Å; F63-R65 HydrophobicContact CE1-CB 4.47Å; F63-R65 HydrophobicContact CE1-CG 3.73Å; R65-S101 PolarHBondContact N-O 2.9Å; R65-S101 VanDerWaalsContact N-O 3.16Å
66V63.4Low73.4Confident74 Ų7473.8 Ų73.845%0.44840%0.398SS..THydrogen-bonded Turntrans-80-11.9-175.7164.70000114.9N64 L68 T100N64-V66 PolarHBondContact O-N 2.81Å; N64-V66 PolarHBondContact OD1-N 3.19Å; V66-L68 PolarHBondContact O-N 2.82Å; V66-T100 HydrophobicContact CB-CG2 3.82Å; V66-T100 HydrophobicContact CG1-CG2 4.25Å; V66-T100 HydrophobicContact CG2-CG2 3.21Å
67L57.3Low74.8Confident119 Ų11970.7 Ų70.762%0.62339%0.386SS*.SBendtrans-74.571.1166.8-60.8179.5000110.2G69L67-G69 PolarHBondContact O-N 3.45Å
68L49.8Very low75.6Confident167 Ų16769.4 Ų69.487%0.87438%0.379SS*.THydrogen-bonded Turntrans-64.2112.6175.8-79.8151.1000110.3V66V66-L68 PolarHBondContact O-N 2.82Å
69G49.8Very low75.8Confident83 Ų8371 Ų7186%0.85639%0.39SS*.THydrogen-bonded Turntrans150.9-23.2161.600000115.9L67L67-G69 PolarHBondContact O-N 3.45Å
70S49.2Very low76Confident69 Ų6974.9 Ų74.948%0.48341%0.41SS..  trans-96.2124.3176.659.70000110.8D72S70-D72 PolarHBondContact O-N 2.94Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 PolarHBondContact OG-O 3.44Å
71S52.6Low75.8Confident121 Ų12177.8 Ų77.885%0.84642%0.421SS*.SBendtrans-60.1-10.1162.551.70000112.7
72D58.3Low75.6Confident114 Ų11479.5 Ų79.561%0.6143%0.434SS*.SBendtrans-93.3111.5175.5-72.4-18.3000110.5S70 T74S70-D72 PolarHBondContact O-N 2.94Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 PolarHBondContact OG-O 3.44Å; D72-T74 VanDerWaalsContact C-N 3.32Å; D72-T74 PolarHBondContact O-N 2.77Å
73K66.8Low75.1Confident148 Ų14884 Ų8464%0.64347%0.474SS*.  trans-65.490.6166.6-62.3177-178179.80108.1W75K73-W75 VanDerWaalsContact O-CD1 3.23Å; K73-W75 PolarHBondContact O-N 2.8Å
74T79.7Confident74.8Confident70 Ų7091 Ų9143%0.42951%0.507SS..  trans-74.9106.1173.351.20000108.5F63 D72F63-T74 WeakPolarHBondContact CD2-O 3.4Å; D72-T74 VanDerWaalsContact C-N 3.32Å; D72-T74 PolarHBondContact O-N 2.77Å
75W87.1Confident74.7Confident69 Ų6996 Ų9626%0.26153%0.525SS..PPolyproline II helixtrans-84.9121.3176.4-69.189.7000109.8F61 F63 K73 T103 Q105F61-W75 HydrophobicContact CB-CE3 4.19Å; F63-W75 HydrophobicContact CB-CD2 4.16Å; F63-W75 HydrophobicContact CB-CE3 3.79Å; F63-W75 HydrophobicContact CB-CH2 4.23Å; F63-W75 HydrophobicContact CB-CZ3 3.83Å; K73-W75 VanDerWaalsContact O-CD1 3.23Å; K73-W75 PolarHBondContact O-N 2.8Å; W75-T103 HydrophobicContact CH2-CG2 3.71Å; W75-T103 HydrophobicContact CZ3-CG2 4.24Å; W75-Q105 HydrophobicContact CH2-CG 3.63Å; W75-Q105 HydrophobicContact CZ2-CG 4.48Å; W75-Q105 HydrophobicContact CZ3-CB 4.19Å; W75-Q105 HydrophobicContact CZ3-CG 3.65Å
76D89.2Confident75.1Confident72 Ų7292.5 Ų92.539%0.38552%0.521SS..EExtended strand (participates in β ladder)trans-94.3144.7175.9-65.2-46.5000110F61 Y62F61-D76 CarbonylContact C-O 3.59Å; F61-D76 VanDerWaalsContact CA-O 3.22Å; F61-D76 WeakPolarHBondContact CA-O 3.26Å; Y62-D76 HydrophobicContact CD1-CB 4.1Å; Y62-D76 WeakPolarHBondContact CD1-O 3.41Å; Y62-D76 HydrophobicContact CE1-CB 3.54Å; Y62-D76 HydrophobicContact CE2-CB 4.46Å; Y62-D76 PolarHBondContact N-O 2.63Å; Y62-D76 PolarHBondContact O-N 3.26Å
77E91.6Very high76.3Confident81 Ų8192 Ų9238%0.37952%0.516SS..EExtended strand (participates in β ladder)trans-79.4150.6172.9-170.8170.9164.700109.7R59 F61R59-E77 WeakPolarHBondContact CD-OE1 3.49Å; R59-E77 IonicContact NE-OE1 3.12Å; R59-E77 PolarHBondContact NE-OE1 3.5Å; R59-E77 VanDerWaalsContact NE-OE1 3.12Å; F61-E77 HydrophobicContact CD1-CB 4.14Å; F61-E77 HydrophobicContact CE1-CB 3.86Å; F61-E77 HydrophobicContact CE1-CG 4.07Å; F61-E77 HydrophobicContact CZ-CG 4.43Å
78C93.2Very high78Confident10 Ų1087 Ų877%0.06849%0.489CS..  trans-40.2125.2174.3174.60000112.1L60 Q80 Y81 C89L60-C78 HydrophobicContact CB-CB 4.32Å; L60-C78 HydrophobicContact CD2-CB 4.38Å; L60-C78 PolarHBondContact O-N 3.28Å; C78-Q80 PolarHBondContact O-N 3.48Å; C78-Q80 VanDerWaalsContact SG-C 3.54Å; C78-Q80 PolarHBondContact SG-O 2.82Å; C78-Y81 HydrophobicContact CB-CD2 4.29Å; C78-Y81 HydrophobicContact CB-CE1 3.86Å; C78-Y81 HydrophobicContact CB-CE2 3.61Å; C78-Y81 WeakPolarHBondContact CB-OH 3.4Å; C78-C89 HydrophobicContact CB-CB 4.03Å; C78-C89 WeakPolarHBondContact CB-SG 3.45Å; C78-C89 VanDerWaalsContact SG-CA 3.56Å; C78-C89 WeakPolarHBondContact SG-CB 3.37Å; C78-C89 CovalentContact SG-SG 2.01Å; C78-C89 PolarHBondContact SG-SG 2.92Å
79P91.9Very high80.1Confident48 Ų4879 Ų7931%0.31245%0.447SS..SBendtrans-69.3-36.2-17525.1-31.9000112.1F90 F91 H95P79-F90 WeakPolarHBondContact CG-O 3.19Å; P79-F91 HydrophobicContact CG-CD1 3.91Å; P79-F91 HydrophobicContact CG-CE1 4.29Å; P79-F91 HydrophobicContact CG-CG 4.37Å; P79-H95 HydrophobicContact CG-CB 4.26Å
80Q93.1Very high82.2Confident114 Ų11478.5 Ų78.553%0.53342%0.421SS..EExtended strand (participates in β ladder)trans-147.5112.9180-171.5171.6-6.700112.2C78 F90C78-Q80 PolarHBondContact O-N 3.48Å; C78-Q80 VanDerWaalsContact SG-C 3.54Å; C78-Q80 PolarHBondContact SG-O 2.82Å; Q80-F90 PolarHBondContact O-N 2.7Å
81Y91.2Very high84.4Confident62 Ų6275.2 Ų75.224%0.24340%0.398CS..EExtended strand (participates in β ladder)trans-78.8139167.1-66.6-83000110W44 R59 L60 C78 E88W44-Y81 AromaticContact CH2-CD1 3.71Å; W44-Y81 HydrophobicContact CH2-CD1 3.71Å; W44-Y81 AromaticContact CH2-CE1 3.56Å; W44-Y81 HydrophobicContact CH2-CE1 3.56Å; W44-Y81 HydrophobicContact CZ2-CD1 4.19Å; W44-Y81 AromaticContact CZ2-CE1 3.94Å; W44-Y81 HydrophobicContact CZ2-CE1 3.94Å; R59-Y81 WeakPolarHBondContact CD-OH 3.34Å; L60-Y81 PolarHBondContact N-OH 3.44Å; C78-Y81 HydrophobicContact CB-CD2 4.29Å; C78-Y81 HydrophobicContact CB-CE1 3.86Å; C78-Y81 HydrophobicContact CB-CE2 3.61Å; C78-Y81 WeakPolarHBondContact CB-OH 3.4Å; Y81-E88 WeakPolarHBondContact CA-O 3.37Å
82S87Confident86.3Confident40 Ų4072.2 Ų72.228%0.2837%0.373SS..  trans-67.8138.9176.4178.10000111.1R85 E88S82-R85 WeakPolarHBondContact CB-O 3.46Å; S82-R85 CarbonylContact O-C 3.51Å; S82-E88 PolarHBondContact N-O 2.95Å; S82-E88 VanDerWaalsContact N-O 3.08Å
83A82.1Confident87.9Confident109 Ų10973.3 Ų73.390%0.90137%0.374SS*.SBendtrans-74.1-32.2-179.900000112.4
84E81.5Confident89.1Confident179 Ų17972.5 Ų72.584%0.83638%0.377SS*.SBendtrans-79.9-32.2179.2-63.3-177.4-179.400111.8
85R81.3Confident89.5Confident124 Ų12472.1 Ų72.147%0.46837%0.37SS..  trans-137.697.3-174.3-72.8-172.5-176174.82.2110.7S82 D87 E88S82-R85 WeakPolarHBondContact CB-O 3.46Å; S82-R85 CarbonylContact O-C 3.51Å; R85-D87 WeakPolarHBondContact CB-OD1 3.46Å; R85-D87 PolarHBondContact O-N 3.19Å; R85-D87 VanDerWaalsContact O-N 3.11Å; R85-E88 HydrophobicContact CB-CB 4.44Å; R85-E88 HydrophobicContact CB-CG 3.8Å; R85-E88 WeakPolarHBondContact CD-OE1 3.43Å; R85-E88 IonicContact CZ-OE1 3.44Å; R85-E88 IonicContact NE-OE1 3.91Å; R85-E88 IonicContact NH1-OE1 2.65Å; R85-E88 PolarHBondContact NH1-OE1 3.38Å; R85-E88 PolarHBondContact O-N 2.83Å; R85-E88 VanDerWaalsContact O-N 3.14Å
86P81.3Confident89.7Confident70 Ų7069.5 Ų69.546%0.45536%0.362SS..THydrogen-bonded Turntrans-69.2-8.3-176.230-35.2000113.2W44 P55 E88W44-P86 WeakPolarHBondContact CZ2-O 3.11Å; P55-P86 HydrophobicContact CB-CB 4.28Å; P55-P86 HydrophobicContact CB-CG 4.08Å; P86-E88 VanDerWaalsContact C-N 3.3Å
87D88.1Confident89.8Confident64 Ų6469.1 Ų69.134%0.34236%0.362SS..THydrogen-bonded Turntrans-87.59.7174.260.3-46000114W44 R85W44-D87 VanDerWaalsContact CD2-O 3.23Å; W44-D87 VanDerWaalsContact CE2-CA 3.47Å; W44-D87 VanDerWaalsContact CH2-C 3.48Å; W44-D87 VanDerWaalsContact CZ2-CA 3.47Å; W44-D87 WeakPolarHBondContact CZ3-O 3.43Å; W44-D87 PolarHBondContact N-O 3.43Å; W44-D87 VanDerWaalsContact N-O 3.15Å; R85-D87 WeakPolarHBondContact CB-OD1 3.46Å; R85-D87 PolarHBondContact O-N 3.19Å; R85-D87 VanDerWaalsContact O-N 3.11Å
88E92.8Very high89.6Confident13 Ų1366.5 Ų66.56%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-123.7136.4177.6-52-169.8-179.900111.4L41 R43 Y81 S82 R85 P86L41-E88 HydrophobicContact CD1-CB 4.23Å; R43-E88 HydrophobicContact CG-CB 4.48Å; R43-E88 HydrophobicContact CG-CG 3.91Å; R43-E88 VanDerWaalsContact CZ-CD 3.46Å; R43-E88 IonicContact CZ-OE1 3.67Å; R43-E88 IonicContact CZ-OE2 3.3Å; R43-E88 IonicContact NE-OE1 2.97Å; R43-E88 PolarHBondContact NE-OE1 3.37Å; R43-E88 IonicContact NE-OE2 3.06Å; R43-E88 PolarHBondContact NE-OE2 2.9Å; R43-E88 IonicContact NH1-OE1 3.48Å; R43-E88 VanDerWaalsContact NH2-CD 3.34Å; R43-E88 IonicContact NH2-OE1 2.99Å; R43-E88 PolarHBondContact NH2-OE1 2.98Å; R43-E88 IonicContact NH2-OE2 3.58Å; R43-E88 PolarHBondContact NH2-OE2 2.81Å; Y81-E88 WeakPolarHBondContact CA-O 3.37Å; S82-E88 PolarHBondContact N-O 2.95Å; S82-E88 VanDerWaalsContact N-O 3.08Å; R85-E88 HydrophobicContact CB-CB 4.44Å; R85-E88 HydrophobicContact CB-CG 3.8Å; R85-E88 WeakPolarHBondContact CD-OE1 3.43Å; R85-E88 IonicContact CZ-OE1 3.44Å; R85-E88 IonicContact NE-OE1 3.91Å; R85-E88 IonicContact NH1-OE1 2.65Å; R85-E88 PolarHBondContact NH1-OE1 3.38Å; R85-E88 PolarHBondContact O-N 2.83Å; R85-E88 VanDerWaalsContact O-N 3.14Å; P86-E88 VanDerWaalsContact C-N 3.3Å
89C94Very high89.2Confident0 Ų075.2 Ų75.20%038%0.383CS..EExtended strand (participates in β ladder)trans-120.5121.8176.3177.40000110.1L41 C42 W44 L60 C78 F91L41-C89 WeakPolarHBondContact CA-O 3.27Å; L41-C89 WeakPolarHBondContact CD1-O 3.39Å; C42-C89 PolarHBondContact N-O 3.45Å; C42-C89 PolarHBondContact O-N 3.37Å; W44-C89 HydrophobicContact CH2-CB 4.07Å; W44-C89 HydrophobicContact CZ3-CB 3.67Å; L60-C89 HydrophobicContact CD1-CB 4.18Å; L60-C89 HydrophobicContact CD2-CB 4.24Å; C78-C89 HydrophobicContact CB-CB 4.03Å; C78-C89 WeakPolarHBondContact CB-SG 3.45Å; C78-C89 VanDerWaalsContact SG-CA 3.56Å; C78-C89 WeakPolarHBondContact SG-CB 3.37Å; C78-C89 CovalentContact SG-SG 2.01Å; C78-C89 PolarHBondContact SG-SG 2.92Å; C89-F91 HydrophobicContact CB-CE2 4.3Å; C89-F91 VanDerWaalsContact SG-CE2 3.5Å
90F94.9Very high88.9Confident71 Ų7173.2 Ų73.231%0.31137%0.371SS..EExtended strand (participates in β ladder)trans-102.6129.5-178.9179.4-104.7000111.4T39 L41 P79 Q80 N92T39-F90 HydrophobicContact CG2-CE2 4.47Å; T39-F90 HydrophobicContact CG2-CZ 3.94Å; L41-F90 HydrophobicContact CD1-CB 3.93Å; L41-F90 HydrophobicContact CD1-CD2 4.2Å; P79-F90 WeakPolarHBondContact CG-O 3.19Å; Q80-F90 PolarHBondContact O-N 2.7Å; F90-N92 HydrophobicContact CE1-CB 4.04Å
91F94.6Very high88.7Confident0 Ų069.2 Ų69.20%036%0.355CS..EExtended strand (participates in β ladder)trans-105.7115.3175.4-63.8-99.5000109.1T39 F40 C42 L60 Y62 P79 C89 H95T39-F91 WeakPolarHBondContact CA-O 3.41Å; T39-F91 VanDerWaalsContact CB-O 3.31Å; T39-F91 WeakPolarHBondContact CB-O 3.42Å; F40-F91 HydrophobicContact CD1-CB 3.64Å; F40-F91 HydrophobicContact CD1-CD2 4.38Å; F40-F91 HydrophobicContact CD1-CG 4.07Å; F40-F91 HydrophobicContact CD2-CB 4.39Å; F40-F91 AromaticContact CD2-CD2 3.62Å; F40-F91 HydrophobicContact CD2-CD2 3.62Å; F40-F91 HydrophobicContact CD2-CE2 4.12Å; F40-F91 HydrophobicContact CD2-CG 4.11Å; F40-F91 HydrophobicContact CE1-CB 3.42Å; F40-F91 VanDerWaalsContact CE1-CB 3.42Å; F40-F91 AromaticContact CE1-CD1 3.87Å; F40-F91 HydrophobicContact CE1-CD1 3.87Å; F40-F91 HydrophobicContact CE1-CD2 4.04Å; F40-F91 AromaticContact CE1-CG 3.51Å; F40-F91 HydrophobicContact CE1-CG 3.51Å; F40-F91 HydrophobicContact CE2-CB 4.21Å; F40-F91 HydrophobicContact CE2-CD1 4.07Å; F40-F91 AromaticContact CE2-CD2 3.2Å; F40-F91 HydrophobicContact CE2-CD2 3.2Å; F40-F91 HydrophobicContact CE2-CE1 4.21Å; F40-F91 AromaticContact CE2-CE2 3.41Å; F40-F91 HydrophobicContact CE2-CE2 3.41Å; F40-F91 VanDerWaalsContact CE2-CE2 3.41Å; F40-F91 AromaticContact CE2-CG 3.56Å; F40-F91 HydrophobicContact CE2-CG 3.56Å; F40-F91 AromaticContact CE2-CZ 3.92Å; F40-F91 HydrophobicContact CE2-CZ 3.92Å; F40-F91 HydrophobicContact CG-CB 4.13Å; F40-F91 HydrophobicContact CG-CD2 4.2Å; F40-F91 HydrophobicContact CG-CG 4.35Å; F40-F91 HydrophobicContact CZ-CB 3.74Å; F40-F91 AromaticContact CZ-CD1 3.43Å; F40-F91 HydrophobicContact CZ-CD1 3.43Å; F40-F91 VanDerWaalsContact CZ-CD1 3.43Å; F40-F91 AromaticContact CZ-CD2 3.45Å; F40-F91 HydrophobicContact CZ-CD2 3.45Å; F40-F91 VanDerWaalsContact CZ-CD2 3.45Å; F40-F91 AromaticContact CZ-CE1 3.79Å; F40-F91 HydrophobicContact CZ-CE1 3.79Å; F40-F91 AromaticContact CZ-CE2 3.82Å; F40-F91 HydrophobicContact CZ-CE2 3.82Å; F40-F91 AromaticContact CZ-CG 3.24Å; F40-F91 HydrophobicContact CZ-CG 3.24Å; F40-F91 AromaticContact CZ-CZ 3.97Å; F40-F91 HydrophobicContact CZ-CZ 3.97Å; F40-F91 PolarHBondContact N-O 3Å; F40-F91 WeakPolarHBondContact O-CB 3.4Å; F40-F91 PolarHBondContact O-N 2.82Å; C42-F91 HydrophobicContact CB-CE2 4.39Å; L60-F91 HydrophobicContact CD2-CE2 4.22Å; L60-F91 HydrophobicContact CD2-CZ 3.74Å; Y62-F91 AromaticContact CD1-CE1 3.47Å; Y62-F91 HydrophobicContact CD1-CE1 3.47Å; Y62-F91 VanDerWaalsContact CD1-CE1 3.47Å; Y62-F91 HydrophobicContact CD1-CZ 4.04Å; Y62-F91 AromaticContact CD2-CE1 3.9Å; Y62-F91 HydrophobicContact CD2-CE1 3.9Å; Y62-F91 HydrophobicContact CE1-CD1 4.47Å; Y62-F91 AromaticContact CE1-CE1 3.72Å; Y62-F91 HydrophobicContact CE1-CE1 3.72Å; Y62-F91 HydrophobicContact CE2-CE1 4.14Å; Y62-F91 AromaticContact CG-CE1 3.55Å; Y62-F91 HydrophobicContact CG-CE1 3.55Å; Y62-F91 HydrophobicContact CG-CZ 4.09Å; P79-F91 HydrophobicContact CG-CD1 3.91Å; P79-F91 HydrophobicContact CG-CE1 4.29Å; P79-F91 HydrophobicContact CG-CG 4.37Å; C89-F91 HydrophobicContact CB-CE2 4.3Å; C89-F91 VanDerWaalsContact SG-CE2 3.5Å; F91-H95 HydrophobicContact CD1-CB 4.34Å
92N92.9Very high88.7Confident59 Ų5966.3 Ų66.332%0.31634%0.344SS..  trans-77.1176.3175.570.4-6.8000111.4F90 N94 H95 T96F90-N92 HydrophobicContact CE1-CB 4.04Å; N92-N94 PolarHBondContact O-N 3.27Å; N92-N94 PolarHBondContact OD1-N 2.69Å; N92-H95 PolarHBondContact O-N 2.87Å; N92-H95 VanDerWaalsContact O-N 3.08Å; N92-H95 PolarHBondContact OD1-N 3.45Å; N92-H95 VanDerWaalsContact OD1-N 3.17Å; N92-H95 PolarHBondContact OD1-ND1 2.98Å; N92-T96 WeakPolarHBondContact O-CB 3.36Å; N92-T96 PolarHBondContact O-N 3.25Å; N92-T96 PolarHBondContact O-OG1 3.39Å
93E92.2Very high89Confident136 Ų13664.6 Ų64.664%0.63633%0.332SS*.G310 helixtrans-54.7-35178.3-65.8165.3-147.200112.7E38 T39 H95 T96E38-E93 HydrophobicContact CB-CG 4.26Å; T39-E93 HydrophobicContact CG2-CG 4.08Å; E93-H95 VanDerWaalsContact C-N 3.33Å; E93-H95 PolarHBondContact O-N 2.78Å; E93-T96 PolarHBondContact O-N 2.84Å; E93-T96 VanDerWaalsContact O-O 3.12Å
94N91.2Very high89.5Confident131 Ų13159.4 Ų59.470%0.70129%0.289SS*.G310 helixtrans-70.9-25.4-179.1-171.856.5000113.9N92N92-N94 PolarHBondContact O-N 3.27Å; N92-N94 PolarHBondContact OD1-N 2.69Å
95H89Confident90.1Very high62 Ų6251.3 Ų51.329%0.28725%0.251SS..G310 helixtrans-104.96.9178.1-59.293.3000112.3Y62 P79 F91 N92 E93 Y102Y62-H95 PolarHBondContact OH-CD2 2.8Å; P79-H95 HydrophobicContact CG-CB 4.26Å; F91-H95 HydrophobicContact CD1-CB 4.34Å; N92-H95 PolarHBondContact O-N 2.87Å; N92-H95 VanDerWaalsContact O-N 3.08Å; N92-H95 PolarHBondContact OD1-N 3.45Å; N92-H95 VanDerWaalsContact OD1-N 3.17Å; N92-H95 PolarHBondContact OD1-ND1 2.98Å; E93-H95 VanDerWaalsContact C-N 3.33Å; E93-H95 PolarHBondContact O-N 2.78Å; H95-Y102 PolarHBondContact O-OH 3.31Å
96T91.5Very high90.7Very high15 Ų1545.4 Ų45.49%0.09223%0.229CC..  trans-113.9129.4-177.9-54.80000109.8E38 F40 N92 E93 Y102 L122E38-T96 WeakPolarHBondContact O-CB 3.44Å; E38-T96 WeakPolarHBondContact O-CG2 3.22Å; E38-T96 PolarHBondContact O-OG1 2.86Å; F40-T96 HydrophobicContact CD1-CG2 3.8Å; F40-T96 HydrophobicContact CE1-CG2 4.13Å; N92-T96 WeakPolarHBondContact O-CB 3.36Å; N92-T96 PolarHBondContact O-N 3.25Å; N92-T96 PolarHBondContact O-OG1 3.39Å; E93-T96 PolarHBondContact O-N 2.84Å; E93-T96 VanDerWaalsContact O-O 3.12Å; T96-Y102 VanDerWaalsContact CA-OH 3.29Å; T96-Y102 WeakPolarHBondContact CA-OH 3.44Å; T96-L122 HydrophobicContact CG2-CD1 3.34Å; T96-L122 HydrophobicContact CG2-CD2 4.47Å
97T89.6Confident91.2Very high63 Ų6344.9 Ų44.939%0.38722%0.218SC..  trans-134.9118-179.8-46.80000109T100 Y102 L122T97-T100 HydrophobicContact CG2-CG2 3.47Å; T97-T100 VanDerWaalsContact CG2-CG2 3.47Å; T97-T100 WeakPolarHBondContact O-CB 3.35Å; T97-T100 WeakPolarHBondContact O-CG2 3.29Å; T97-T100 PolarHBondContact O-OG1 3.45Å; T97-Y102 PolarHBondContact N-OH 2.81Å; T97-L122 WeakPolarHBondContact O-CD1 3.32Å
98V88.5Confident91.2Very high27 Ų2742.2 Ų42.216%0.16420%0.204CC..THydrogen-bonded Turntrans-65.8152.3-178.9-67.60000113M37 T100 W166M37-V98 HydrophobicContact CE-CB 4.23Å; M37-V98 HydrophobicContact CE-CG1 4.13Å; M37-V98 HydrophobicContact CG-CG1 3.98Å; M37-V98 VanDerWaalsContact O-CG1 3.25Å; M37-V98 WeakPolarHBondContact O-CG1 3.14Å; V98-T100 VanDerWaalsContact O-CG2 3.25Å; V98-T100 WeakPolarHBondContact O-CG2 3.18Å; V98-T100 PolarHBondContact O-N 3.34Å; V98-W166 HydrophobicContact CB-CH2 4.27Å; V98-W166 HydrophobicContact CG1-CH2 3.56Å; V98-W166 HydrophobicContact CG1-CZ2 3.52Å; V98-W166 HydrophobicContact CG2-CH2 3.8Å
99W85.4Confident90.8Very high192 Ų19249.9 Ų49.973%0.72723%0.232SC*.THydrogen-bonded Turntrans58.327.8-178.7-47.2-55.8000114
100T85.6Confident90.3Very high7 Ų754.8 Ų54.84%0.04326%0.258CS..  trans-118.5148.4178.475.50000110.8N64 V66 T97 V98 Y102 L122N64-T100 PolarHBondContact ND2-OG1 3.22Å; N64-T100 WeakPolarHBondContact OD1-CB 3.33Å; N64-T100 PolarHBondContact OD1-OG1 3.47Å; V66-T100 HydrophobicContact CB-CG2 3.82Å; V66-T100 HydrophobicContact CG1-CG2 4.25Å; V66-T100 HydrophobicContact CG2-CG2 3.21Å; T97-T100 HydrophobicContact CG2-CG2 3.47Å; T97-T100 VanDerWaalsContact CG2-CG2 3.47Å; T97-T100 WeakPolarHBondContact O-CB 3.35Å; T97-T100 WeakPolarHBondContact O-CG2 3.29Å; T97-T100 PolarHBondContact O-OG1 3.45Å; V98-T100 VanDerWaalsContact O-CG2 3.25Å; V98-T100 WeakPolarHBondContact O-CG2 3.18Å; V98-T100 PolarHBondContact O-N 3.34Å; T100-Y102 WeakPolarHBondContact OG1-CE2 3.24Å; T100-L122 PolarHBondContact O-N 2.95Å
101S88.7Confident89.8Confident30 Ų3057.9 Ų57.921%0.2127%0.268CS..EExtended strand (participates in β ladder)trans-92.3123176.4-178.60000109.9R65 F120R65-S101 PolarHBondContact N-O 2.9Å; R65-S101 VanDerWaalsContact N-O 3.16Å; S101-F120 CarbonylContact C-O 3.53Å; S101-F120 WeakPolarHBondContact CA-O 3.3Å; S101-F120 PolarHBondContact OG-O 3.13Å
102Y91.4Very high89.4Confident1 Ų162.8 Ų62.80%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-99.4139.5174.4-76.6-99.1000109.6F40 Y62 F63 N64 H95 T96 T97 T100 S119 F120 L122F40-Y102 HydrophobicContact CE1-CD1 4.46Å; F40-Y102 HydrophobicContact CE1-CE1 4.07Å; F40-Y102 AromaticContact CZ-CD1 3.92Å; F40-Y102 HydrophobicContact CZ-CD1 3.92Å; F40-Y102 AromaticContact CZ-CE1 3.91Å; F40-Y102 HydrophobicContact CZ-CE1 3.91Å; F40-Y102 HydrophobicContact CZ-CG 4.41Å; Y62-Y102 HydrophobicContact CD2-CD1 4.06Å; Y62-Y102 HydrophobicContact CD2-CE1 4.05Å; Y62-Y102 HydrophobicContact CE2-CE1 4.3Å; F63-Y102 WeakPolarHBondContact O-CA 3.26Å; N64-Y102 HydrophobicContact CB-CD1 4.29Å; N64-Y102 HydrophobicContact CB-CE1 3.98Å; N64-Y102 PolarHBondContact ND2-OH 2.83Å; H95-Y102 PolarHBondContact O-OH 3.31Å; T96-Y102 VanDerWaalsContact CA-OH 3.29Å; T96-Y102 WeakPolarHBondContact CA-OH 3.44Å; T97-Y102 PolarHBondContact N-OH 2.81Å; T100-Y102 WeakPolarHBondContact OG1-CE2 3.24Å; Y102-S119 CarbonylContact O-C 3.58Å; Y102-S119 VanDerWaalsContact O-CA 3.25Å; Y102-S119 WeakPolarHBondContact O-CA 3.41Å; Y102-F120 VanDerWaalsContact CB-CE2 3.5Å; Y102-F120 HydrophobicContact CD2-CE2 4.41Å; Y102-F120 HydrophobicContact CG-CE2 4.11Å; Y102-F120 PolarHBondContact N-O 2.76Å; Y102-F120 PolarHBondContact O-N 3.18Å; Y102-L122 HydrophobicContact CD2-CD1 4.43Å; Y102-L122 HydrophobicContact CD2-CD2 3.92Å; Y102-L122 HydrophobicContact CD2-CG 3.81Å; Y102-L122 HydrophobicContact CE2-CD1 3.7Å; Y102-L122 HydrophobicContact CE2-CD2 3.89Å; Y102-L122 HydrophobicContact CE2-CG 3.58Å
103T92Very high89.1Confident4 Ų463 Ų633%0.02530%0.301CS..EExtended strand (participates in β ladder)trans-115.9124.6163.9-59.90000107.8Y62 F63 W75 E117 I118 S119Y62-T103 CarbonylContact C-O 3.56Å; Y62-T103 VanDerWaalsContact CA-O 3.3Å; Y62-T103 WeakPolarHBondContact CA-O 3.38Å; F63-T103 PolarHBondContact N-O 2.76Å; F63-T103 PolarHBondContact O-N 2.74Å; W75-T103 HydrophobicContact CH2-CG2 3.71Å; W75-T103 HydrophobicContact CZ3-CG2 4.24Å; T103-E117 HydrophobicContact CG2-CG 3.88Å; T103-E117 VanDerWaalsContact CG2-OE1 3.27Å; T103-E117 WeakPolarHBondContact CG2-OE1 3.25Å; T103-I118 CarbonylContact C-O 3.59Å; T103-I118 WeakPolarHBondContact CA-O 3.42Å; T103-S119 WeakPolarHBondContact CG2-OG 3.2Å; T103-S119 PolarHBondContact OG1-OG 2.81Å
104V93.6Very high89Confident0 Ų060.4 Ų60.40%029%0.292CS..EExtended strand (participates in β ladder)trans-117.6134-178.6-179.50000109.2L29 L60 F61 E117 I118 F120L29-V104 HydrophobicContact CD2-CG1 4Å; L60-V104 HydrophobicContact CD1-CG1 3.64Å; L60-V104 HydrophobicContact CD2-CG1 3.52Å; L60-V104 HydrophobicContact CG-CG1 3.49Å; L60-V104 VanDerWaalsContact CG-CG1 3.49Å; F61-V104 CarbonylContact O-C 3.57Å; F61-V104 WeakPolarHBondContact O-CA 3.21Å; V104-E117 WeakPolarHBondContact O-CA 3.4Å; V104-I118 HydrophobicContact CB-CG1 4.08Å; V104-I118 PolarHBondContact N-O 3.15Å; V104-I118 PolarHBondContact O-N 3.5Å; V104-F120 HydrophobicContact CB-CE1 4.36Å; V104-F120 HydrophobicContact CG2-CE1 3.73Å; V104-F120 HydrophobicContact CG2-CZ 3.71Å
105Q93.9Very high89Confident9 Ų956.7 Ų56.74%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-124.5131.4-178.3-72.9-176.3-18.300111L60 F61 W75 R107 L114 D116 E117L60-Q105 WeakPolarHBondContact CA-O 3.32Å; F61-Q105 PolarHBondContact N-O 2.9Å; F61-Q105 PolarHBondContact O-N 3.46Å; W75-Q105 HydrophobicContact CH2-CG 3.63Å; W75-Q105 HydrophobicContact CZ2-CG 4.48Å; W75-Q105 HydrophobicContact CZ3-CB 4.19Å; W75-Q105 HydrophobicContact CZ3-CG 3.65Å; Q105-R107 HydrophobicContact CB-CG 4.32Å; Q105-L114 HydrophobicContact CB-CD1 3.78Å; Q105-L114 HydrophobicContact CG-CD1 3.85Å; Q105-D116 WeakPolarHBondContact CA-O 3.33Å; Q105-E117 HydrophobicContact CG-CB 4.05Å; Q105-E117 HydrophobicContact CG-CG 3.77Å; Q105-E117 VanDerWaalsContact NE2-CD 3.34Å; Q105-E117 PolarHBondContact NE2-OE2 3.36Å
106L93Very high89.1Confident0 Ų055.8 Ų55.80%027%0.265CS..EExtended strand (participates in β ladder)trans-94.4115.7169.5-172.365.8000108.9P27 L29 W44 L58 Y115 D116P27-L106 HydrophobicContact CB-CD2 3.87Å; L29-L106 HydrophobicContact CD1-CB 4.01Å; L29-L106 HydrophobicContact CG-CB 4.28Å; W44-L106 HydrophobicContact CB-CD1 4.23Å; W44-L106 HydrophobicContact CB-CD2 3.86Å; W44-L106 HydrophobicContact CD2-CD1 3.98Å; W44-L106 HydrophobicContact CG-CD1 3.75Å; W44-L106 HydrophobicContact CG-CD2 4.1Å; L58-L106 HydrophobicContact CB-CD1 4.21Å; L106-Y115 PolarHBondContact O-N 2.78Å; L106-D116 HydrophobicContact CB-CB 4.41Å; L106-D116 PolarHBondContact N-O 3.25Å; L106-D116 PolarHBondContact O-N 2.99Å
107R91.4Very high89.3Confident59 Ų5959.3 Ų59.322%0.22328%0.281CS..EExtended strand (participates in β ladder)trans-125.3162.1-177.2-64.4-175.1176-145.37.7111.9R59 F61 Q105 R111 V113 L114R59-R107 PolarHBondContact N-O 3.46Å; R59-R107 PolarHBondContact O-N 3.46Å; F61-R107 HydrophobicContact CD2-CB 3.95Å; F61-R107 HydrophobicContact CD2-CG 4.1Å; F61-R107 HydrophobicContact CE2-CB 4.01Å; Q105-R107 HydrophobicContact CB-CG 4.32Å; R107-R111 PolarHBondContact NH1-O 2.85Å; R107-V113 VanDerWaalsContact CA-O 3.25Å; R107-V113 WeakPolarHBondContact CA-O 3.08Å; R107-L114 HydrophobicContact CG-CD1 3.89Å
108S88.4Confident89.4Confident8 Ų858.6 Ų58.66%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-65.5158164.757.30000111.3D57 D110 R111 T112 V113D57-S108 CarbonylContact O-C 3.54Å; S108-D110 WeakPolarHBondContact CB-OD1 3.48Å; S108-D110 PolarHBondContact O-N 3.47Å; S108-D110 PolarHBondContact OG-OD1 2.83Å; S108-R111 WeakPolarHBondContact O-CA 3.17Å; S108-R111 PolarHBondContact O-N 2.83Å; S108-T112 PolarHBondContact OG-N 2.74Å; S108-V113 PolarHBondContact N-O 2.78Å; S108-V113 PolarHBondContact OG-N 2.86Å; S108-V113 PolarHBondContact OG-O 3.38Å
109R84.1Confident89.6Confident173 Ų17360.4 Ų60.465%0.65329%0.288SS*.THydrogen-bonded Turntrans-54-36.6179.1-177.9-179.3175.7-149.3-2.3114D57 R111D57-R109 PolarHBondContact O-N 2.97Å; R109-R111 PolarHBondContact O-N 3.33Å
110D84.4Confident90Very high103 Ų10352.3 Ų52.355%0.55126%0.258SS*.THydrogen-bonded Turntrans-81.50.5177.466.6-20.9000113.4S108 T112S108-D110 WeakPolarHBondContact CB-OD1 3.48Å; S108-D110 PolarHBondContact O-N 3.47Å; S108-D110 PolarHBondContact OG-OD1 2.83Å; D110-T112 HydrophobicContact CB-CG2 4.22Å; D110-T112 PolarHBondContact O-N 2.87Å; D110-T112 VanDerWaalsContact O-N 3.15Å; D110-T112 PolarHBondContact OD1-N 2.8Å; D110-T112 PolarHBondContact OD1-OG1 2.92Å; D110-T112 WeakPolarHBondContact OD2-CB 3.48Å; D110-T112 WeakPolarHBondContact OD2-CG2 3.3Å; D110-T112 PolarHBondContact OD2-OG1 2.82Å
111R85.4Confident90.2Very high137 Ų13753.4 Ų53.452%0.51727%0.266SS..SBendtrans63.88.7179.6-51.2177.8178.8176.7-4.5114.9F61 R107 S108 R109F61-R111 HydrophobicContact CE2-CG 4.05Å; F61-R111 HydrophobicContact CZ-CG 3.74Å; R107-R111 PolarHBondContact NH1-O 2.85Å; S108-R111 WeakPolarHBondContact O-CA 3.17Å; S108-R111 PolarHBondContact O-N 2.83Å; R109-R111 PolarHBondContact O-N 3.33Å
112T84.9Confident90.2Very high102 Ų10252 Ų5263%0.62626%0.256SS*.  trans-81.2-38.4-175.362.10000112.3S108 D110S108-T112 PolarHBondContact OG-N 2.74Å; D110-T112 HydrophobicContact CB-CG2 4.22Å; D110-T112 PolarHBondContact O-N 2.87Å; D110-T112 VanDerWaalsContact O-N 3.15Å; D110-T112 PolarHBondContact OD1-N 2.8Å; D110-T112 PolarHBondContact OD1-OG1 2.92Å; D110-T112 WeakPolarHBondContact OD2-CB 3.48Å; D110-T112 WeakPolarHBondContact OD2-CG2 3.3Å; D110-T112 PolarHBondContact OD2-OG1 2.82Å
113V87.2Confident90.1Very high63 Ų6354.4 Ų54.438%0.38227%0.267SS..  trans-101.8121.2-178-175.40000109.2R107 S108 Y115R107-V113 VanDerWaalsContact CA-O 3.25Å; R107-V113 WeakPolarHBondContact CA-O 3.08Å; S108-V113 PolarHBondContact N-O 2.78Å; S108-V113 PolarHBondContact OG-N 2.86Å; S108-V113 PolarHBondContact OG-O 3.38Å; V113-Y115 HydrophobicContact CB-CE2 4.34Å; V113-Y115 HydrophobicContact CG1-CD1 4.05Å; V113-Y115 HydrophobicContact CG1-CD2 4.46Å; V113-Y115 HydrophobicContact CG1-CE1 3.71Å; V113-Y115 HydrophobicContact CG1-CE2 4.15Å; V113-Y115 HydrophobicContact CG1-CG 4.41Å
114L90.8Very high90Very high83 Ų8358.2 Ų58.244%0.43529%0.287SS..EExtended strand (participates in β ladder)trans-89.7119.6165.5-179.666.8000108.2Q105 R107Q105-L114 HydrophobicContact CB-CD1 3.78Å; Q105-L114 HydrophobicContact CG-CD1 3.85Å; R107-L114 HydrophobicContact CG-CD1 3.89Å
115Y89.8Confident90Very high52 Ų5259.3 Ų59.320%0.20429%0.293CS..EExtended strand (participates in β ladder)trans-90.8-46.3177.8-68.4-71.3000111.6P27 L52 L58 L106 V113P27-Y115 HydrophobicContact CB-CD1 4.15Å; P27-Y115 HydrophobicContact CB-CD2 4.32Å; P27-Y115 HydrophobicContact CB-CG 3.94Å; P27-Y115 HydrophobicContact CG-CD1 3.83Å; P27-Y115 HydrophobicContact CG-CD2 4.41Å; P27-Y115 HydrophobicContact CG-CE1 3.98Å; P27-Y115 HydrophobicContact CG-CG 4.07Å; P27-Y115 WeakPolarHBondContact O-CB 3.44Å; L52-Y115 HydrophobicContact CD1-CE1 4.24Å; L52-Y115 HydrophobicContact CD1-CE2 4.4Å; L58-Y115 HydrophobicContact CD2-CD2 3.66Å; L58-Y115 HydrophobicContact CD2-CE2 3.53Å; L106-Y115 PolarHBondContact O-N 2.78Å; V113-Y115 HydrophobicContact CB-CE2 4.34Å; V113-Y115 HydrophobicContact CG1-CD1 4.05Å; V113-Y115 HydrophobicContact CG1-CD2 4.46Å; V113-Y115 HydrophobicContact CG1-CE1 3.71Å; V113-Y115 HydrophobicContact CG1-CE2 4.15Å; V113-Y115 HydrophobicContact CG1-CG 4.41Å
116D92.6Very high90Very high44 Ų4458.9 Ų58.924%0.23529%0.291CS..EExtended strand (participates in β ladder)trans-155.8153.3-175.8-166.214.8000111.6H28 L29 Q105 L106H28-D116 WeakPolarHBondContact CA-OD2 3.27Å; H28-D116 HydrophobicContact CB-CB 4.4Å; L29-D116 HydrophobicContact CD1-CB 3.88Å; L29-D116 PolarHBondContact N-OD2 3.46Å; Q105-D116 WeakPolarHBondContact CA-O 3.33Å; L106-D116 HydrophobicContact CB-CB 4.41Å; L106-D116 PolarHBondContact N-O 3.25Å; L106-D116 PolarHBondContact O-N 2.99Å
117E93.8Very high90.1Very high89 Ų8961.4 Ų61.442%0.41630%0.303SS..EExtended strand (participates in β ladder)trans-145.2127.3-177.9178.9173165.100110.7T103 V104 Q105T103-E117 HydrophobicContact CG2-CG 3.88Å; T103-E117 VanDerWaalsContact CG2-OE1 3.27Å; T103-E117 WeakPolarHBondContact CG2-OE1 3.25Å; V104-E117 WeakPolarHBondContact O-CA 3.4Å; Q105-E117 HydrophobicContact CG-CB 4.05Å; Q105-E117 HydrophobicContact CG-CG 3.77Å; Q105-E117 VanDerWaalsContact NE2-CD 3.34Å; Q105-E117 PolarHBondContact NE2-OE2 3.36Å
118I93.4Very high90.3Very high48 Ų4858.6 Ų58.625%0.24629%0.292CS..EExtended strand (participates in β ladder)trans-126.1142.9175.764.5177.3000110.2L29 T103 V104 F120L29-I118 HydrophobicContact CB-CD1 4.17Å; L29-I118 HydrophobicContact CB-CG2 4.4Å; L29-I118 HydrophobicContact CD1-CD1 4.41Å; L29-I118 HydrophobicContact CD1-CG1 4.16Å; L29-I118 HydrophobicContact CD1-CG2 4.2Å; L29-I118 HydrophobicContact CD2-CD1 3.96Å; L29-I118 HydrophobicContact CD2-CG1 4.39Å; L29-I118 HydrophobicContact CG-CD1 4.41Å; T103-I118 CarbonylContact C-O 3.59Å; T103-I118 WeakPolarHBondContact CA-O 3.42Å; V104-I118 HydrophobicContact CB-CG1 4.08Å; V104-I118 PolarHBondContact N-O 3.15Å; V104-I118 PolarHBondContact O-N 3.5Å; I118-F120 HydrophobicContact CD1-CD1 4.03Å; I118-F120 HydrophobicContact CD1-CE1 3.83Å; I118-F120 HydrophobicContact CG1-CD1 4.07Å; I118-F120 HydrophobicContact CG1-CE1 3.98Å
119S92.6Very high90.7Very high65 Ų6560.1 Ų60.146%0.45530%0.3SS..EExtended strand (participates in β ladder)trans-123.2134.9171.2-65.40000109.6Y102 T103Y102-S119 CarbonylContact O-C 3.58Å; Y102-S119 VanDerWaalsContact O-CA 3.25Å; Y102-S119 WeakPolarHBondContact O-CA 3.41Å; T103-S119 WeakPolarHBondContact CG2-OG 3.2Å; T103-S119 PolarHBondContact OG1-OG 2.81Å
120F92.2Very high91.3Very high21 Ų2154 Ų549%0.09228%0.283CS..EExtended strand (participates in β ladder)trans-149.7162.5-178.152.7-101000110.3C32 F40 S101 Y102 V104 I118 L122 L125C32-F120 HydrophobicContact CB-CE1 4.16Å; C32-F120 HydrophobicContact CB-CZ 4.21Å; F40-F120 HydrophobicContact CD2-CZ 4.4Å; F40-F120 HydrophobicContact CE2-CE2 4.28Å; F40-F120 AromaticContact CE2-CZ 3.98Å; F40-F120 HydrophobicContact CE2-CZ 3.98Å; S101-F120 CarbonylContact C-O 3.53Å; S101-F120 WeakPolarHBondContact CA-O 3.3Å; S101-F120 PolarHBondContact OG-O 3.13Å; Y102-F120 VanDerWaalsContact CB-CE2 3.5Å; Y102-F120 HydrophobicContact CD2-CE2 4.41Å; Y102-F120 HydrophobicContact CG-CE2 4.11Å; Y102-F120 PolarHBondContact N-O 2.76Å; Y102-F120 PolarHBondContact O-N 3.18Å; V104-F120 HydrophobicContact CB-CE1 4.36Å; V104-F120 HydrophobicContact CG2-CE1 3.73Å; V104-F120 HydrophobicContact CG2-CZ 3.71Å; I118-F120 HydrophobicContact CD1-CD1 4.03Å; I118-F120 HydrophobicContact CD1-CE1 3.83Å; I118-F120 HydrophobicContact CG1-CD1 4.07Å; I118-F120 HydrophobicContact CG1-CE1 3.98Å; F120-L122 HydrophobicContact CE2-CD2 4.2Å; F120-L125 HydrophobicContact CB-CD2 4.06Å; F120-L125 HydrophobicContact CB-CG 4.3Å; F120-L125 HydrophobicContact CD1-CD1 4.18Å; F120-L125 HydrophobicContact CD1-CD2 4.4Å; F120-L125 HydrophobicContact CD2-CD1 3.22Å; F120-L125 HydrophobicContact CD2-CD2 4.19Å; F120-L125 HydrophobicContact CD2-CG 3.67Å; F120-L125 HydrophobicContact CE1-CD1 4.12Å; F120-L125 HydrophobicContact CE2-CD1 3.15Å; F120-L125 HydrophobicContact CE2-CG 4.13Å; F120-L125 HydrophobicContact CG-CD1 3.76Å; F120-L125 HydrophobicContact CG-CD2 3.97Å; F120-L125 HydrophobicContact CG-CG 3.98Å; F120-L125 HydrophobicContact CZ-CD1 3.63Å
121S90.9Very high91.9Very high30 Ų3049.2 Ų49.221%0.2126%0.257CS..EExtended strand (participates in β ladder)trans-99.3149.2162-57.10000109.2E123 D124S121-E123 VanDerWaalsContact C-N 3.26Å; S121-E123 WeakPolarHBondContact CB-OE1 3.5Å; S121-E123 WeakPolarHBondContact CB-OE2 3.4Å; S121-E123 PolarHBondContact O-N 3.47Å; S121-D124 PolarHBondContact O-N 3.05Å
122L89.4Confident92.4Very high1 Ų147.3 Ų47.31%0.00525%0.253CS..G310 helixtrans-60.8-36.1-175.8-75.6-174.1000113.2F40 T96 T97 T100 Y102 F120 D124 L125 V126F40-L122 HydrophobicContact CB-CD2 4.45Å; F40-L122 HydrophobicContact CD1-CD2 3.54Å; F40-L122 HydrophobicContact CE1-CD2 3.81Å; F40-L122 HydrophobicContact CG-CD2 3.95Å; F40-L122 HydrophobicContact CZ-CD2 4.41Å; T96-L122 HydrophobicContact CG2-CD1 3.34Å; T96-L122 HydrophobicContact CG2-CD2 4.47Å; T97-L122 WeakPolarHBondContact O-CD1 3.32Å; T100-L122 PolarHBondContact O-N 2.95Å; Y102-L122 HydrophobicContact CD2-CD1 4.43Å; Y102-L122 HydrophobicContact CD2-CD2 3.92Å; Y102-L122 HydrophobicContact CD2-CG 3.81Å; Y102-L122 HydrophobicContact CE2-CD1 3.7Å; Y102-L122 HydrophobicContact CE2-CD2 3.89Å; Y102-L122 HydrophobicContact CE2-CG 3.58Å; F120-L122 HydrophobicContact CE2-CD2 4.2Å; L122-D124 PolarHBondContact O-N 3.45Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-L125 VanDerWaalsContact O-N 3.09Å; L122-V126 WeakPolarHBondContact O-CG2 3.33Å
123E89.2Confident92.9Very high52 Ų5245 Ų4524%0.24325%0.249CC..G310 helixtrans-58.5-30.1178.757.6-88.9-160.700113.6M37 S121 L125 M213M37-E123 HydrophobicContact CE-CB 4.21Å; S121-E123 VanDerWaalsContact C-N 3.26Å; S121-E123 WeakPolarHBondContact CB-OE1 3.5Å; S121-E123 WeakPolarHBondContact CB-OE2 3.4Å; S121-E123 PolarHBondContact O-N 3.47Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-M213 HydrophobicContact CB-CE 3.89Å; E123-M213 VanDerWaalsContact O-CE 3.31Å; E123-M213 WeakPolarHBondContact O-CE 3.4Å
124D89.5Confident93.3Very high83 Ų8343.1 Ų43.144%0.44424%0.237SC..G310 helixtrans-79-20.5-179.1-66.9-36.6000112.3S121 L122S121-D124 PolarHBondContact O-N 3.05Å; L122-D124 PolarHBondContact O-N 3.45Å
125L92.5Very high93.6Very high23 Ų2343.5 Ų43.512%0.1224%0.239CC..G310 helixtrans-88.7-4179-60.2-170.2000113.7C32 S34 F120 L122 E123 Q127C32-L125 HydrophobicContact CB-CD1 3.51Å; C32-L125 HydrophobicContact CB-CD2 4.32Å; S34-L125 PolarHBondContact N-O 2.92Å; F120-L125 HydrophobicContact CB-CD2 4.06Å; F120-L125 HydrophobicContact CB-CG 4.3Å; F120-L125 HydrophobicContact CD1-CD1 4.18Å; F120-L125 HydrophobicContact CD1-CD2 4.4Å; F120-L125 HydrophobicContact CD2-CD1 3.22Å; F120-L125 HydrophobicContact CD2-CD2 4.19Å; F120-L125 HydrophobicContact CD2-CG 3.67Å; F120-L125 HydrophobicContact CE1-CD1 4.12Å; F120-L125 HydrophobicContact CE2-CD1 3.15Å; F120-L125 HydrophobicContact CE2-CG 4.13Å; F120-L125 HydrophobicContact CG-CD1 3.76Å; F120-L125 HydrophobicContact CG-CD2 3.97Å; F120-L125 HydrophobicContact CG-CG 3.98Å; F120-L125 HydrophobicContact CZ-CD1 3.63Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-L125 VanDerWaalsContact O-N 3.09Å; E123-L125 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 3.16Å; L125-Q127 VanDerWaalsContact O-N 3.07Å
126V93.8Very high94Very high1 Ų144 Ų441%0.00624%0.241CC..BIsolated β-bridgetrans-72.4106.9-173.6-176.70000109.8S34 M37 L122 P128 M167 M213S34-V126 CarbonylContact O-C 3.55Å; S34-V126 WeakPolarHBondContact O-CA 3.35Å; M37-V126 HydrophobicContact CB-CG2 3.98Å; M37-V126 HydrophobicContact CG-CG2 3.89Å; M37-V126 HydrophobicContact SD-CG2 4.19Å; L122-V126 WeakPolarHBondContact O-CG2 3.33Å; V126-P128 HydrophobicContact CG1-CG 4.16Å; V126-M167 HydrophobicContact CG1-CE 3.74Å; V126-M213 HydrophobicContact CB-CB 4.49Å; V126-M213 HydrophobicContact CB-CE 4.14Å; V126-M213 HydrophobicContact CB-SD 4.25Å; V126-M213 HydrophobicContact CG1-CB 4.09Å; V126-M213 HydrophobicContact CG1-SD 4.12Å; V126-M213 HydrophobicContact CG2-CE 4.04Å; V126-M213 HydrophobicContact CG2-SD 4.16Å
127Q95.8Very high94.1Very high52 Ų5245.5 Ų45.524%0.24325%0.252CS..  trans-121.492.2170.3-63.7-178-4.900107.8V33 S34 R35 L125 D218V33-Q127 HydrophobicContact CG1-CB 3.95Å; S34-Q127 CarbonylContact O-C 3.51Å; S34-Q127 PolarHBondContact O-N 3.42Å; R35-Q127 WeakPolarHBondContact CD-O 3.32Å; R35-Q127 PolarHBondContact NH1-O 3.47Å; L125-Q127 PolarHBondContact O-N 3.16Å; L125-Q127 VanDerWaalsContact O-N 3.07Å; Q127-D218 HydrophobicContact CG-CB 3.77Å; Q127-D218 PolarHBondContact NE2-OD2 2.87Å
128P96Very high94.2Very high0 Ų045.3 Ų45.30%025%0.253CS..PPolyproline II helixtrans-59.4157.5-175.9-21.432.6000112.4R35 V126 M167 L169 G220R35-P128 WeakPolarHBondContact O-CA 3.34Å; V126-P128 HydrophobicContact CG1-CG 4.16Å; P128-M167 HydrophobicContact CG-CE 4.18Å; P128-L169 HydrophobicContact CB-CD2 4.26Å; P128-L169 HydrophobicContact CG-CD2 3.77Å; P128-G220 VanDerWaalsContact O-CA 3.24Å; P128-G220 WeakPolarHBondContact O-CA 3.41Å
129D96.3Very high94.3Very high40 Ų4047.6 Ų47.621%0.21426%0.264CS..PPolyproline II helixtrans-63.2157.7169.5-70.2-42.4000110.9R35 P157 T159 C211R35-D129 VanDerWaalsContact CD-OD1 3.23Å; R35-D129 WeakPolarHBondContact CD-OD1 3.25Å; R35-D129 IonicContact CZ-OD1 3.83Å; R35-D129 IonicContact NE-OD1 3.03Å; R35-D129 PolarHBondContact NE-OD1 3.47Å; D129-P157 HydrophobicContact CB-CB 3.97Å; D129-P157 HydrophobicContact CB-CG 4.5Å; D129-P157 WeakPolarHBondContact O-CG 3.49Å; D129-T159 WeakPolarHBondContact OD2-CB 3.31Å; D129-T159 WeakPolarHBondContact OD2-CG2 3.28Å; D129-T159 PolarHBondContact OD2-OG1 3.14Å; D129-C211 PolarHBondContact O-SG 2.85Å
130P96.9Very high94.3Very high45 Ų4549.4 Ų49.429%0.29227%0.268SS..PPolyproline II helixtrans-62.9145.3-179.822.7-32.5000112.1D221P130-D221 WeakPolarHBondContact CB-O 2.97Å; P130-D221 HydrophobicContact CG-CB 4.47Å
131P96.9Very high94.3Very high3 Ų350.9 Ų50.92%0.01928%0.279CS..PPolyproline II helixtrans-58.9146.4169.6-20.532.7000111W154 R155 Y171 V209 C211 S223P131-W154 HydrophobicContact CB-CG 4.47Å; P131-R155 WeakPolarHBondContact CA-O 3.38Å; P131-R155 WeakPolarHBondContact CB-O 3.42Å; P131-Y171 HydrophobicContact CB-CD1 4.46Å; P131-Y171 HydrophobicContact CB-CE1 4.28Å; P131-Y171 HydrophobicContact CG-CD1 3.76Å; P131-Y171 HydrophobicContact CG-CE1 3.83Å; P131-V209 HydrophobicContact CG-CG1 4.25Å; P131-C211 HydrophobicContact CG-CB 3.93Å; P131-S223 WeakPolarHBondContact O-CB 3.36Å
132F95.6Very high94.2Very high97 Ų9751.3 Ų51.343%0.42528%0.282SS..EExtended strand (participates in β ladder)trans-117.5163-178.673.3-91.4000112.4R155 P156 A158F132-R155 HydrophobicContact CD2-CB 4.46Å; F132-R155 HydrophobicContact CE1-CB 4.22Å; F132-R155 HydrophobicContact CE2-CB 4.13Å; F132-R155 HydrophobicContact CZ-CB 4Å; F132-R155 PolarHBondContact N-O 2.85Å; F132-R155 PolarHBondContact O-N 2.91Å; F132-P156 VanDerWaalsContact CD1-O 3.28Å; F132-P156 WeakPolarHBondContact CD1-O 3.45Å; F132-P156 WeakPolarHBondContact CE1-O 3.17Å; F132-A158 HydrophobicContact CE1-CB 4.32Å
133G95.4Very high94.1Very high53 Ų5360.4 Ų60.455%0.54633%0.33SS..EExtended strand (participates in β ladder)trans67.935.8178.100000113.7N135G133-N135 PolarHBondContact O-N 2.99Å
134L97.1Very high93.9Very high23 Ų2362.3 Ų62.312%0.1235%0.345CS..EExtended strand (participates in β ladder)trans-58.7125.4172.8-179.260.9000109.6S153 W154 V207 V209 V226L134-S153 CarbonylContact C-O 3.57Å; L134-S153 WeakPolarHBondContact CA-O 3.09Å; L134-W154 HydrophobicContact CD1-CB 4.31Å; L134-W154 HydrophobicContact CD1-CE3 3.84Å; L134-V207 HydrophobicContact CD2-CG1 4.49Å; L134-V209 HydrophobicContact CD1-CG2 3.59Å; L134-V209 HydrophobicContact CD2-CG2 4.03Å; L134-V209 HydrophobicContact CG-CG2 4.44Å; L134-V226 HydrophobicContact CB-CG2 4.09Å; L134-V226 HydrophobicContact CD2-CB 4.3Å; L134-V226 HydrophobicContact CD2-CG2 3.98Å; L134-V226 HydrophobicContact CG-CB 4.43Å; L134-V226 HydrophobicContact CG-CG2 3.9Å; L134-V226 WeakPolarHBondContact O-CG2 3.29Å
135N96.9Very high93.7Very high91 Ų9158.8 Ų58.849%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-145163.9178.7-161.13.5000110.1G133 L152 S153G133-N135 PolarHBondContact O-N 2.99Å; N135-L152 CarbonylContact O-C 3.58Å; N135-L152 WeakPolarHBondContact O-CA 3.49Å; N135-S153 PolarHBondContact N-O 2.93Å; N135-S153 PolarHBondContact O-N 2.76Å; N135-S153 PolarHBondContact O-OG 3.2Å
136W96.5Very high93.6Very high63 Ų6359.6 Ų59.624%0.23934%0.336CS..EExtended strand (participates in β ladder)trans-134.5150.717968.9-87000112.2L138 A150 M151 L152 F227 I228 I230W136-L138 HydrophobicContact CZ3-CB 4.25Å; W136-A150 HydrophobicContact CE3-CB 4.41Å; W136-M151 CarbonylContact C-O 3.56Å; W136-M151 WeakPolarHBondContact CA-O 3.43Å; W136-L152 HydrophobicContact CB-CD2 3.96Å; W136-F227 PolarHBondContact NE1-O 2.88Å; W136-I228 HydrophobicContact CB-CD1 4.01Å; W136-I228 HydrophobicContact CB-CG1 4.37Å; W136-I228 HydrophobicContact CD2-CB 4.41Å; W136-I228 HydrophobicContact CD2-CD1 4.24Å; W136-I228 HydrophobicContact CD2-CG1 3.94Å; W136-I228 HydrophobicContact CD2-CG2 3.94Å; W136-I228 HydrophobicContact CE3-CG2 3.97Å; W136-I228 HydrophobicContact CG-CD1 3.91Å; W136-I228 HydrophobicContact CG-CG1 3.76Å; W136-I228 HydrophobicContact CH2-CG2 4.01Å; W136-I228 HydrophobicContact CZ2-CG2 3.97Å; W136-I228 HydrophobicContact CZ3-CG2 4.01Å; W136-I230 HydrophobicContact CH2-CD1 4.16Å; W136-I230 HydrophobicContact CH2-CG1 4.01Å; W136-I230 HydrophobicContact CZ3-CD1 3.91Å; W136-I230 HydrophobicContact CZ3-CG1 4.28Å
137T96.4Very high93.6Very high76 Ų7663.1 Ų63.147%0.46635%0.352SS..EExtended strand (participates in β ladder)trans-128.1143.2173.259.80000110.3M139 A150 M151T137-M139 PolarHBondContact O-N 3.45Å; T137-A150 CarbonylContact O-C 3.48Å; T137-A150 VanDerWaalsContact O-CA 3.3Å; T137-A150 WeakPolarHBondContact O-CA 3.5Å; T137-M151 PolarHBondContact N-O 3.43Å; T137-M151 PolarHBondContact O-N 2.9Å
138L95.9Very high93.5Very high84 Ų8460.7 Ų60.744%0.4434%0.341SS..EExtended strand (participates in β ladder)trans-73.7123.7174.2178.655.8000109.1W136 V141 F148 I230W136-L138 HydrophobicContact CZ3-CB 4.25Å; L138-V141 HydrophobicContact CD1-CG2 3.93Å; L138-V141 HydrophobicContact CD2-CG2 4.02Å; L138-V141 HydrophobicContact CG-CG2 4.38Å; L138-F148 HydrophobicContact CD1-CB 4.09Å; L138-F148 HydrophobicContact CD1-CD2 4.28Å; L138-I230 HydrophobicContact CD1-CD1 3.58Å; L138-I230 HydrophobicContact CD2-CD1 4.48Å; L138-I230 HydrophobicContact CG-CD1 4.46Å
139M94.1Very high93.5Very high96 Ų9662.6 Ų62.647%0.47335%0.351SS..EExtended strand (participates in β ladder)trans-92.9-60.7176.7-65.9-175.671.100111.3T137 D149 M151T137-M139 PolarHBondContact O-N 3.45Å; M139-D149 HydrophobicContact CB-CB 4.25Å; M139-D149 PolarHBondContact N-O 2.86Å; M139-M151 HydrophobicContact CE-CE 3.95Å; M139-M151 HydrophobicContact CG-CB 3.83Å; M139-M151 HydrophobicContact SD-CB 3.78Å; M139-M151 HydrophobicContact SD-CE 3.74Å
140N92.1Very high93.5Very high103 Ų10360.7 Ų60.755%0.55134%0.341SS*.EExtended strand (participates in β ladder)trans-146.1157.5-175.1-159.76.6000110.6F148 D149N140-F148 CarbonylContact O-C 3.53Å; N140-F148 WeakPolarHBondContact O-CA 3.1Å; N140-D149 PolarHBondContact N-O 3.07Å; N140-D149 PolarHBondContact O-N 2.88Å
141V92.1Very high93.5Very high53 Ų5360.6 Ų60.632%0.32134%0.337SS..EExtended strand (participates in β ladder)trans-125.7137.1173.4-177.40000107.3L138 F148L138-V141 HydrophobicContact CD1-CG2 3.93Å; L138-V141 HydrophobicContact CD2-CG2 4.02Å; L138-V141 HydrophobicContact CG-CG2 4.38Å; V141-F148 HydrophobicContact CG2-CB 4.24Å
142S90.6Very high93.6Very high39 Ų3960.6 Ų60.627%0.27334%0.337SS..  trans-57.7152.3178.474.70000111T144 G145 S146 H147S142-T144 PolarHBondContact O-N 3.04Å; S142-T144 VanDerWaalsContact O-N 3.13Å; S142-T144 PolarHBondContact OG-OG1 2.78Å; S142-G145 WeakPolarHBondContact O-CA 3.2Å; S142-G145 PolarHBondContact O-N 2.79Å; S142-G145 PolarHBondContact OG-N 2.99Å; S142-S146 PolarHBondContact OG-N 3.3Å; S142-S146 VanDerWaalsContact OG-N 3.15Å; S142-H147 PolarHBondContact N-O 3.25Å; S142-H147 PolarHBondContact OG-N 2.77Å; S142-H147 PolarHBondContact OG-O 3.1Å
143L86.8Confident93.6Very high192 Ų19258.1 Ų58.1100%1.00533%0.332SS*.THydrogen-bonded Turntrans-55.8-32.9176.9-66.2171.3000112.5G145L143-G145 VanDerWaalsContact C-N 3.25Å; L143-G145 PolarHBondContact O-N 3.06Å
144T84.5Confident93.7Very high91 Ų9156.1 Ų56.156%0.55831%0.307SS*.THydrogen-bonded Turntrans-74.6-12.7175.953.10000113.5S142 S146 V234S142-T144 PolarHBondContact O-N 3.04Å; S142-T144 VanDerWaalsContact O-N 3.13Å; S142-T144 PolarHBondContact OG-OG1 2.78Å; T144-S146 PolarHBondContact O-N 2.81Å; T144-S146 PolarHBondContact OG1-N 3.4Å; T144-S146 PolarHBondContact OG1-OG 2.93Å; T144-V234 WeakPolarHBondContact O-CG2 3.47Å
145G86.4Confident93.7Very high9 Ų962.9 Ų62.99%0.09333%0.332CS..SBendtrans65.316.1-172.800000113.9S142 L143 T201 V234S142-G145 WeakPolarHBondContact O-CA 3.2Å; S142-G145 PolarHBondContact O-N 2.79Å; S142-G145 PolarHBondContact OG-N 2.99Å; L143-G145 VanDerWaalsContact C-N 3.25Å; L143-G145 PolarHBondContact O-N 3.06Å; G145-T201 WeakPolarHBondContact O-CG2 3.18Å; G145-T201 PolarHBondContact O-OG1 3.4Å; G145-V234 WeakPolarHBondContact O-CG2 3.1Å
146S88.7Confident93.7Very high41 Ų4160.2 Ų60.229%0.28732%0.319SS..SBendtrans-94.8-27.8-177.360.20000113.3S142 T144 T201S142-S146 PolarHBondContact OG-N 3.3Å; S142-S146 VanDerWaalsContact OG-N 3.15Å; T144-S146 PolarHBondContact O-N 2.81Å; T144-S146 PolarHBondContact OG1-N 3.4Å; T144-S146 PolarHBondContact OG1-OG 2.93Å; S146-T201 VanDerWaalsContact C-OG1 3.27Å; S146-T201 WeakPolarHBondContact CA-OG1 3.35Å; S146-T201 PolarHBondContact O-N 3.34Å; S146-T201 PolarHBondContact O-OG1 3.15Å
147H93.8Very high93.7Very high74 Ų7457.4 Ų57.434%0.34331%0.309SS..EExtended strand (participates in β ladder)trans-126.5157.4178.4-58.479.6000111.3S142 G198 L199S142-H147 PolarHBondContact N-O 3.25Å; S142-H147 PolarHBondContact OG-N 2.77Å; S142-H147 PolarHBondContact OG-O 3.1Å; H147-G198 PolarHBondContact CD2-O 3.28Å; H147-L199 CarbonylContact C-O 3.59Å; H147-L199 WeakPolarHBondContact CA-O 3.42Å; H147-L199 WeakPolarHBondContact CB-O 3.3Å
148F94.8Very high93.5Very high1 Ų158.4 Ų58.40%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-141.4157.9175.671.9-91.6000111.4L138 N140 V141 A150 G198 L199 Q200 T201 Y205 I228 I230L138-F148 HydrophobicContact CD1-CB 4.09Å; L138-F148 HydrophobicContact CD1-CD2 4.28Å; N140-F148 CarbonylContact O-C 3.53Å; N140-F148 WeakPolarHBondContact O-CA 3.1Å; V141-F148 HydrophobicContact CG2-CB 4.24Å; F148-A150 HydrophobicContact CD2-CB 4.2Å; F148-A150 HydrophobicContact CE2-CB 3.96Å; F148-G198 PolarHBondContact O-N 2.97Å; F148-L199 HydrophobicContact CD1-CB 4.06Å; F148-L199 WeakPolarHBondContact CD1-O 3.44Å; F148-L199 HydrophobicContact CD2-CB 4.18Å; F148-L199 HydrophobicContact CE1-CB 3.63Å; F148-L199 HydrophobicContact CE2-CB 3.72Å; F148-L199 HydrophobicContact CE2-CD2 3.88Å; F148-L199 HydrophobicContact CE2-CG 4.38Å; F148-L199 HydrophobicContact CG-CB 4.34Å; F148-L199 HydrophobicContact CZ-CB 3.44Å; F148-L199 VanDerWaalsContact CZ-CB 3.44Å; F148-L199 HydrophobicContact CZ-CD2 3.75Å; F148-L199 HydrophobicContact CZ-CG 4.24Å; F148-L199 PolarHBondContact N-O 2.81Å; F148-L199 PolarHBondContact O-N 2.78Å; F148-Q200 WeakPolarHBondContact CE1-O 3.4Å; F148-T201 HydrophobicContact CB-CG2 4.39Å; F148-T201 HydrophobicContact CD1-CG2 3.84Å; F148-Y205 HydrophobicContact CE1-CD2 4.48Å; F148-Y205 HydrophobicContact CE1-CE2 4.25Å; F148-Y205 HydrophobicContact CZ-CD2 4.15Å; F148-Y205 HydrophobicContact CZ-CE2 4.29Å; F148-I228 HydrophobicContact CE2-CG2 3.79Å; F148-I228 HydrophobicContact CZ-CG2 3.76Å; F148-I230 HydrophobicContact CB-CD1 4.17Å; F148-I230 HydrophobicContact CD1-CB 4.13Å; F148-I230 HydrophobicContact CD1-CD1 3.9Å; F148-I230 HydrophobicContact CD2-CD1 3.26Å; F148-I230 HydrophobicContact CE1-CB 4.22Å; F148-I230 HydrophobicContact CE1-CD1 4.05Å; F148-I230 HydrophobicContact CE2-CD1 3.47Å; F148-I230 VanDerWaalsContact CE2-CD1 3.47Å; F148-I230 HydrophobicContact CG-CB 4.48Å; F148-I230 HydrophobicContact CG-CD1 3.49Å; F148-I230 VanDerWaalsContact CG-CD1 3.49Å; F148-I230 HydrophobicContact CZ-CD1 3.85Å
149D96Very high93.3Very high40 Ų4057.6 Ų57.621%0.21432%0.323CS..EExtended strand (participates in β ladder)trans-113.7137.6173.4-57.4-29.4000108.8M139 N140 L196 F197 G198M139-D149 HydrophobicContact CB-CB 4.25Å; M139-D149 PolarHBondContact N-O 2.86Å; N140-D149 PolarHBondContact N-O 3.07Å; N140-D149 PolarHBondContact O-N 2.88Å; D149-L196 CarbonylContact C-O 3.49Å; D149-L196 WeakPolarHBondContact CA-O 2.99Å; D149-F197 HydrophobicContact CB-CD1 4.06Å; D149-F197 VanDerWaalsContact OD1-CA 3.25Å; D149-F197 WeakPolarHBondContact OD1-CA 3.49Å; D149-G198 PolarHBondContact OD1-N 3.03Å
150A96.6Very high93.2Very high0 Ų053.4 Ų53.40%030%0.304CS..EExtended strand (participates in β ladder)trans-130141.9-178.800000110.9W136 T137 F148 S195 L196 I228W136-A150 HydrophobicContact CE3-CB 4.41Å; T137-A150 CarbonylContact O-C 3.48Å; T137-A150 VanDerWaalsContact O-CA 3.3Å; T137-A150 WeakPolarHBondContact O-CA 3.5Å; F148-A150 HydrophobicContact CD2-CB 4.2Å; F148-A150 HydrophobicContact CE2-CB 3.96Å; A150-S195 CarbonylContact O-C 3.57Å; A150-S195 WeakPolarHBondContact O-CA 3.11Å; A150-L196 PolarHBondContact N-O 3.06Å; A150-L196 PolarHBondContact O-N 3.3Å; A150-I228 HydrophobicContact CB-CD1 4.42Å
151M96.8Very high93.3Very high44 Ų4451.2 Ų51.222%0.21729%0.292CS..EExtended strand (participates in β ladder)trans-99.8123.5171.9-174.566.676.100109.1W136 T137 M139 H193 S195W136-M151 CarbonylContact C-O 3.56Å; W136-M151 WeakPolarHBondContact CA-O 3.43Å; T137-M151 PolarHBondContact N-O 3.43Å; T137-M151 PolarHBondContact O-N 2.9Å; M139-M151 HydrophobicContact CE-CE 3.95Å; M139-M151 HydrophobicContact CG-CB 3.83Å; M139-M151 HydrophobicContact SD-CB 3.78Å; M139-M151 HydrophobicContact SD-CE 3.74Å; M151-H193 HydrophobicContact SD-CB 4.28Å; M151-S195 PolarHBondContact SD-N 2.97Å; M151-S195 VanDerWaalsContact SD-N 3.44Å
152L97.5Very high93.3Very high2 Ų251 Ų511%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-85.5143.7168.9-54.8176.7000109.5N135 W136 W154 A173 H193 R194 L196 V207 I228N135-L152 CarbonylContact O-C 3.58Å; N135-L152 WeakPolarHBondContact O-CA 3.49Å; W136-L152 HydrophobicContact CB-CD2 3.96Å; L152-W154 HydrophobicContact CB-CE3 4.07Å; L152-W154 HydrophobicContact CB-CZ3 3.6Å; L152-W154 HydrophobicContact CD1-CZ3 4.31Å; L152-A173 HydrophobicContact CD1-CB 4.07Å; L152-H193 CarbonylContact O-C 3.54Å; L152-H193 WeakPolarHBondContact O-CA 3.5Å; L152-H193 WeakPolarHBondContact O-CB 3.29Å; L152-R194 VanDerWaalsContact CB-O 3.29Å; L152-R194 WeakPolarHBondContact CB-O 3.45Å; L152-R194 PolarHBondContact N-O 2.92Å; L152-R194 PolarHBondContact O-N 3.44Å; L152-L196 HydrophobicContact CD1-CD1 3.98Å; L152-L196 HydrophobicContact CD1-CD2 4.03Å; L152-L196 HydrophobicContact CD1-CG 3.92Å; L152-L196 HydrophobicContact CD2-CD1 4.07Å; L152-L196 HydrophobicContact CD2-CG 4.49Å; L152-L196 HydrophobicContact CG-CD1 4.1Å; L152-L196 HydrophobicContact CG-CG 4.02Å; L152-V207 HydrophobicContact CD1-CG1 3.52Å; L152-V207 HydrophobicContact CD2-CB 4.47Å; L152-V207 HydrophobicContact CD2-CG1 3.82Å; L152-V207 HydrophobicContact CD2-CG2 4.39Å; L152-V207 HydrophobicContact CG-CG1 4.31Å; L152-I228 HydrophobicContact CD2-CD1 4.03Å
153S97.6Very high93.3Very high45 Ų4558.2 Ų58.232%0.31532%0.321SS..EExtended strand (participates in β ladder)trans-140.514117658.60000109.9L134 N135 T192L134-S153 CarbonylContact C-O 3.57Å; L134-S153 WeakPolarHBondContact CA-O 3.09Å; N135-S153 PolarHBondContact N-O 2.93Å; N135-S153 PolarHBondContact O-N 2.76Å; N135-S153 PolarHBondContact O-OG 3.2Å; S153-T192 WeakPolarHBondContact CA-O 2.95Å
154W97.3Very high93.5Very high11 Ų1154.1 Ų54.14%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-149.6179.3179.554.987.8000110.6P131 L134 L152 Y171 A173 V189 T192 R194 V209P131-W154 HydrophobicContact CB-CG 4.47Å; L134-W154 HydrophobicContact CD1-CB 4.31Å; L134-W154 HydrophobicContact CD1-CE3 3.84Å; L152-W154 HydrophobicContact CB-CE3 4.07Å; L152-W154 HydrophobicContact CB-CZ3 3.6Å; L152-W154 HydrophobicContact CD1-CZ3 4.31Å; W154-Y171 AromaticContact CD1-CD1 3.88Å; W154-Y171 AromaticContact CD1-CE1 3.89Å; W154-Y171 AromaticContact CE2-CG 3.99Å; W154-Y171 HydrophobicContact CZ2-CG 4.03Å; W154-Y171 AromaticContact NE1-CD1 3.19Å; W154-Y171 AromaticContact NE1-CD2 3.81Å; W154-Y171 AromaticContact NE1-CE1 3.54Å; W154-Y171 AromaticContact NE1-CG 3.36Å; W154-Y171 AromaticContact NE1-CZ 3.99Å; W154-A173 HydrophobicContact CH2-CB 4.04Å; W154-A173 HydrophobicContact CZ3-CB 4.24Å; W154-V189 HydrophobicContact CH2-CG2 4.2Å; W154-V189 HydrophobicContact CZ2-CG2 3.9Å; W154-T192 PolarHBondContact N-O 3.15Å; W154-T192 WeakPolarHBondContact O-CB 3.45Å; W154-R194 HydrophobicContact CH2-CB 3.57Å; W154-R194 HydrophobicContact CZ3-CB 3.99Å; W154-V209 HydrophobicContact CD2-CG1 4.07Å; W154-V209 HydrophobicContact CD2-CG2 4.27Å; W154-V209 HydrophobicContact CE3-CG1 4.36Å; W154-V209 HydrophobicContact CE3-CG2 3.82Å; W154-V209 HydrophobicContact CH2-CG1 4.34Å; W154-V209 HydrophobicContact CH2-CG2 4.45Å; W154-V209 HydrophobicContact CZ2-CG1 4.09Å; W154-V209 HydrophobicContact CZ3-CG1 4.47Å; W154-V209 HydrophobicContact CZ3-CG2 3.89Å
155R96.7Very high93.9Very high166 Ų16652.4 Ų52.463%0.62630%0.304SS*.EExtended strand (participates in β ladder)trans-123.5149.8174.3-65.8-175.7-173.5172.12.1111.1P131 F132P131-R155 WeakPolarHBondContact CA-O 3.38Å; P131-R155 WeakPolarHBondContact CB-O 3.42Å; F132-R155 HydrophobicContact CD2-CB 4.46Å; F132-R155 HydrophobicContact CE1-CB 4.22Å; F132-R155 HydrophobicContact CE2-CB 4.13Å; F132-R155 HydrophobicContact CZ-CB 4Å; F132-R155 PolarHBondContact N-O 2.85Å; F132-R155 PolarHBondContact O-N 2.91Å
156P96.4Very high94.1Very high34 Ų3456.7 Ų56.722%0.22132%0.318CS..  trans-60.5155.4172.726.9-34.4000110.6F132 V162 L169 Y171F132-P156 VanDerWaalsContact CD1-O 3.28Å; F132-P156 WeakPolarHBondContact CD1-O 3.45Å; F132-P156 WeakPolarHBondContact CE1-O 3.17Å; P156-V162 HydrophobicContact CB-CB 4.35Å; P156-V162 HydrophobicContact CB-CG2 3.83Å; P156-L169 HydrophobicContact CB-CD1 4.38Å; P156-Y171 WeakPolarHBondContact CB-OH 3.35Å
157P96.1Very high94.3Very high4 Ų454.8 Ų54.83%0.02630%0.304CS..  trans-60141.7175.3-17.530.6000111.7D129 T159 A160 L169D129-P157 HydrophobicContact CB-CB 3.97Å; D129-P157 HydrophobicContact CB-CG 4.5Å; D129-P157 WeakPolarHBondContact O-CG 3.49Å; P157-T159 PolarHBondContact O-N 3.47Å; P157-A160 HydrophobicContact CB-CB 4.32Å; P157-A160 HydrophobicContact CG-CB 4.47Å; P157-A160 PolarHBondContact O-N 3.2Å; P157-A160 VanDerWaalsContact O-N 3.08Å; P157-L169 HydrophobicContact CG-CD1 4.42Å
158A92.2Very high94.3Very high97 Ų9753.7 Ų53.780%0.80231%0.308SS*.THydrogen-bonded Turntrans-66.6-22.9-17900000113.4F132 A160F132-A158 HydrophobicContact CE1-CB 4.32Å; A158-A160 VanDerWaalsContact C-N 3.31Å
159T92.7Very high94.4Very high67 Ų6754.1 Ų54.141%0.41131%0.311SS..THydrogen-bonded Turntrans-77.4-17.5175.647.90000112.9N36 D129 P157N36-T159 WeakPolarHBondContact CB-O 2.9Å; D129-T159 WeakPolarHBondContact OD2-CB 3.31Å; D129-T159 WeakPolarHBondContact OD2-CG2 3.28Å; D129-T159 PolarHBondContact OD2-OG1 3.14Å; P157-T159 PolarHBondContact O-N 3.47Å
160A92.1Very high94.4Very high8 Ų853.9 Ų53.97%0.06631%0.308CS..SBendtrans-98.6116-179.500000110.2P157 A158 V162 M167 L169P157-A160 HydrophobicContact CB-CB 4.32Å; P157-A160 HydrophobicContact CG-CB 4.47Å; P157-A160 PolarHBondContact O-N 3.2Å; P157-A160 VanDerWaalsContact O-N 3.08Å; A158-A160 VanDerWaalsContact C-N 3.31Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 HydrophobicContact CB-CG2 4.19Å; A160-V162 PolarHBondContact O-N 3.34Å; A160-M167 HydrophobicContact CB-CE 4.27Å; A160-M167 HydrophobicContact CB-SD 3.57Å; A160-M167 VanDerWaalsContact CB-SD 3.57Å; A160-L169 HydrophobicContact CB-CD1 4.11Å
161D92.9Very high94.4Very high57 Ų5754 Ų5431%0.30531%0.309SS..  trans-78.986.1175.2-173.10.8000111E163 T164 W166 M167D161-E163 PolarHBondContact OD1-N 3.09Å; D161-T164 WeakPolarHBondContact OD1-CG2 3.23Å; D161-T164 PolarHBondContact OD1-N 2.85Å; D161-T164 PolarHBondContact OD1-OG1 2.66Å; D161-T164 WeakPolarHBondContact OD2-CB 3.36Å; D161-T164 WeakPolarHBondContact OD2-CG2 3.35Å; D161-T164 PolarHBondContact OD2-OG1 2.93Å; D161-W166 HydrophobicContact CB-CB 4.11Å; D161-W166 PolarHBondContact O-N 2.86Å; D161-M167 PolarHBondContact O-N 2.83Å
162V93Very high94.4Very high49 Ų4952.3 Ų52.330%0.29730%0.3SS..  trans-88.2-24.8176.6-175.20000111.5P156 A160 G165 M167 L169P156-V162 HydrophobicContact CB-CB 4.35Å; P156-V162 HydrophobicContact CB-CG2 3.83Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 HydrophobicContact CB-CG2 4.19Å; A160-V162 PolarHBondContact O-N 3.34Å; V162-G165 PolarHBondContact O-N 3.15Å; V162-M167 WeakPolarHBondContact CA-O 2.91Å; V162-L169 HydrophobicContact CG2-CD1 3.69Å; V162-L169 HydrophobicContact CG2-CG 3.9Å
163E90.3Very high94.3Very high191 Ų19152.2 Ų52.289%0.89330%0.3SS*.SBendtrans-72.9-40.8-174.2-65.4-172.6175.100111.9D161 G165D161-E163 PolarHBondContact OD1-N 3.09Å; E163-G165 VanDerWaalsContact C-N 3.27Å
164T92.1Very high94.3Very high105 Ų10550.5 Ų50.564%0.64429%0.287SS*.SBendtrans-80-12.5175.472.50000112.9D161D161-T164 WeakPolarHBondContact OD1-CG2 3.23Å; D161-T164 PolarHBondContact OD1-N 2.85Å; D161-T164 PolarHBondContact OD1-OG1 2.66Å; D161-T164 WeakPolarHBondContact OD2-CB 3.36Å; D161-T164 WeakPolarHBondContact OD2-CG2 3.35Å; D161-T164 PolarHBondContact OD2-OG1 2.93Å
165G90.9Very high94.3Very high56 Ų5652.6 Ų52.658%0.57730%0.295SS*.SBendtrans87.89.1-178.100000114.8V162 E163 M167V162-G165 PolarHBondContact O-N 3.15Å; E163-G165 VanDerWaalsContact C-N 3.27Å; G165-M167 VanDerWaalsContact C-N 3.33Å; G165-M167 PolarHBondContact O-N 3.2Å
166W91.3Very high94.2Very high98 Ų9847.1 Ų47.137%0.37128%0.275SS..SBendtrans-58.2-44.4173.5177.2-115.1000112.1N36 E38 V98 D161N36-W166 PolarHBondContact O-NE1 3.26Å; N36-W166 VanDerWaalsContact O-NE1 3.16Å; E38-W166 HydrophobicContact CG-CZ2 3.97Å; E38-W166 VanDerWaalsContact CG-NE1 3.35Å; V98-W166 HydrophobicContact CB-CH2 4.27Å; V98-W166 HydrophobicContact CG1-CH2 3.56Å; V98-W166 HydrophobicContact CG1-CZ2 3.52Å; V98-W166 HydrophobicContact CG2-CH2 3.8Å; D161-W166 HydrophobicContact CB-CB 4.11Å; D161-W166 PolarHBondContact O-N 2.86Å
167M93.3Very high94.2Very high1 Ų150.8 Ų50.81%0.00529%0.289CS..  trans-115.8124.5175.9-64.8-175.979.300111.9N36 V126 P128 A160 D161 V162 G165 L169N36-M167 VanDerWaalsContact C-SD 3.58Å; N36-M167 HydrophobicContact CB-SD 4.47Å; N36-M167 VanDerWaalsContact O-SD 3.38Å; V126-M167 HydrophobicContact CG1-CE 3.74Å; P128-M167 HydrophobicContact CG-CE 4.18Å; A160-M167 HydrophobicContact CB-CE 4.27Å; A160-M167 HydrophobicContact CB-SD 3.57Å; A160-M167 VanDerWaalsContact CB-SD 3.57Å; D161-M167 PolarHBondContact O-N 2.83Å; V162-M167 WeakPolarHBondContact CA-O 2.91Å; G165-M167 VanDerWaalsContact C-N 3.33Å; G165-M167 PolarHBondContact O-N 3.2Å; M167-L169 HydrophobicContact CE-CD2 4.27Å
168A94.1Very high94.1Very high52 Ų5252.4 Ų52.443%0.4330%0.302SS..  trans-98.4119167.500000110.1M213 L214A168-M213 CarbonylContact O-C 3.59Å; A168-M213 WeakPolarHBondContact O-CA 2.98Å; A168-L214 HydrophobicContact CB-CB 4.01Å; A168-L214 HydrophobicContact CB-CD2 4.28Å; A168-L214 WeakPolarHBondContact O-CB 3.42Å; A168-L214 PolarHBondContact O-N 2.99Å
169L95.6Very high93.9Very high10 Ų1051.3 Ų51.35%0.05230%0.3CS..EExtended strand (participates in β ladder)trans-104.2150.5-177.3-60.3-176.4000113.1P128 P156 P157 A160 V162 M167 Y171 K212P128-L169 HydrophobicContact CB-CD2 4.26Å; P128-L169 HydrophobicContact CG-CD2 3.77Å; P156-L169 HydrophobicContact CB-CD1 4.38Å; P157-L169 HydrophobicContact CG-CD1 4.42Å; A160-L169 HydrophobicContact CB-CD1 4.11Å; V162-L169 HydrophobicContact CG2-CD1 3.69Å; V162-L169 HydrophobicContact CG2-CG 3.9Å; M167-L169 HydrophobicContact CE-CD2 4.27Å; L169-Y171 HydrophobicContact CB-CE2 4.13Å; L169-K212 CarbonylContact C-O 3.53Å; L169-K212 WeakPolarHBondContact CA-O 2.97Å
170Q96.5Very high94Very high34 Ų3449.8 Ų49.816%0.15930%0.295CS..EExtended strand (participates in β ladder)trans-125.4133170.1-164.2177.833.700109L188 V189 C211 K212 L214Q170-L188 HydrophobicContact CG-CB 3.88Å; Q170-L188 HydrophobicContact CG-CD2 3.81Å; Q170-L188 HydrophobicContact CG-CG 4.39Å; Q170-L188 VanDerWaalsContact NE2-CB 3.33Å; Q170-V189 CarbonylContact C-O 3.59Å; Q170-V189 WeakPolarHBondContact CA-O 3.48Å; Q170-C211 CarbonylContact O-C 3.54Å; Q170-C211 VanDerWaalsContact O-CA 3.26Å; Q170-C211 WeakPolarHBondContact O-CA 3.33Å; Q170-K212 HydrophobicContact CB-CG 4.32Å; Q170-K212 PolarHBondContact N-O 3.26Å; Q170-K212 PolarHBondContact O-N 3.08Å; Q170-L214 HydrophobicContact CB-CD1 4.37Å
171Y97.1Very high94.1Very high4 Ų458.4 Ų58.42%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-108.6141.8-173.4-55.3-88.2000110.9P131 W154 P156 L169 L188 V189 T191 T192 V209 R210 C211P131-Y171 HydrophobicContact CB-CD1 4.46Å; P131-Y171 HydrophobicContact CB-CE1 4.28Å; P131-Y171 HydrophobicContact CG-CD1 3.76Å; P131-Y171 HydrophobicContact CG-CE1 3.83Å; W154-Y171 AromaticContact CD1-CD1 3.88Å; W154-Y171 AromaticContact CD1-CE1 3.89Å; W154-Y171 AromaticContact CE2-CG 3.99Å; W154-Y171 HydrophobicContact CZ2-CG 4.03Å; W154-Y171 AromaticContact NE1-CD1 3.19Å; W154-Y171 AromaticContact NE1-CD2 3.81Å; W154-Y171 AromaticContact NE1-CE1 3.54Å; W154-Y171 AromaticContact NE1-CG 3.36Å; W154-Y171 AromaticContact NE1-CZ 3.99Å; P156-Y171 WeakPolarHBondContact CB-OH 3.35Å; L169-Y171 HydrophobicContact CB-CE2 4.13Å; Y171-L188 WeakPolarHBondContact O-CA 3.34Å; Y171-V189 PolarHBondContact N-O 2.8Å; Y171-V189 PolarHBondContact O-N 3.27Å; Y171-T191 WeakPolarHBondContact CD2-O 3.42Å; Y171-T192 HydrophobicContact CE2-CG2 4.48Å; Y171-V209 HydrophobicContact CD1-CG1 4.4Å; Y171-R210 WeakPolarHBondContact CA-O 3.04Å; Y171-C211 HydrophobicContact CD1-CB 3.55Å; Y171-C211 HydrophobicContact CE1-CB 3.7Å; Y171-C211 HydrophobicContact CG-CB 4.38Å
172D96.4Very high94.2Very high7 Ų764.8 Ų64.84%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-119.7108.3172.8176.228.5000108.2Q174 L188 V209 R210 F219D172-Q174 PolarHBondContact OD2-NE2 3.12Å; D172-L188 HydrophobicContact CB-CD2 4.08Å; D172-V209 WeakPolarHBondContact O-CA 3.11Å; D172-R210 HydrophobicContact CB-CG 4.1Å; D172-R210 PolarHBondContact N-O 3.46Å; D172-R210 PolarHBondContact O-N 3.41Å; D172-R210 IonicContact OD2-CZ 3.19Å; D172-R210 IonicContact OD2-NE 2.8Å; D172-R210 PolarHBondContact OD2-NE 3.08Å; D172-R210 VanDerWaalsContact OD2-NE 3.09Å; D172-R210 IonicContact OD2-NH2 2.74Å; D172-R210 PolarHBondContact OD2-NH2 2.64Å; D172-F219 HydrophobicContact CB-CD1 4.48Å; D172-F219 HydrophobicContact CB-CE1 3.79Å; D172-F219 HydrophobicContact CB-CZ 4.4Å
173A96.6Very high94.3Very high0 Ų064.3 Ų64.30%035%0.346CS..EExtended strand (participates in β ladder)trans-95.9129.1175.500000109.8L152 W154 T186 V209L152-A173 HydrophobicContact CD1-CB 4.07Å; W154-A173 HydrophobicContact CH2-CB 4.04Å; W154-A173 HydrophobicContact CZ3-CB 4.24Å; A173-T186 WeakPolarHBondContact CB-OG1 3.32Å; A173-T186 WeakPolarHBondContact O-CB 3.24Å; A173-T186 WeakPolarHBondContact O-CG2 3.24Å; A173-T186 PolarHBondContact O-N 3.37Å; A173-T186 VanDerWaalsContact O-N 3.15Å; A173-T186 PolarHBondContact O-OG1 3.11Å; A173-V209 HydrophobicContact CB-CG1 4.49Å; A173-V209 HydrophobicContact CB-CG2 3.84Å
174Q96.7Very high94.6Very high9 Ų959.4 Ų59.44%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-123.2142.5-179.1-62-179.5-0.500109.5D172 W183 E184 Q185 V207 R208 F222D172-Q174 PolarHBondContact OD2-NE2 3.12Å; Q174-W183 HydrophobicContact CB-CB 4.35Å; Q174-W183 HydrophobicContact CB-CD2 4.4Å; Q174-W183 HydrophobicContact CB-CE3 3.77Å; Q174-W183 HydrophobicContact CB-CZ3 4.48Å; Q174-E184 VanDerWaalsContact CA-O 3.32Å; Q174-E184 WeakPolarHBondContact CA-O 3.34Å; Q174-Q185 HydrophobicContact CG-CG 4.4Å; Q174-V207 WeakPolarHBondContact O-CA 3.44Å; Q174-V207 WeakPolarHBondContact O-CG1 3.14Å; Q174-R208 HydrophobicContact CB-CG 4.41Å; Q174-R208 PolarHBondContact N-O 3.01Å; Q174-R208 PolarHBondContact O-N 2.73Å; Q174-F222 HydrophobicContact CG-CE1 4.39Å
175Y96.4Very high94.6Very high55 Ų5561 Ų6122%0.21632%0.323CS..EExtended strand (participates in β ladder)trans-134.8155.8175.672.9-77.3000110.8E184 T186 L196 L199 Y205 E206Y175-E184 HydrophobicContact CD1-CB 3.97Å; Y175-E184 HydrophobicContact CD2-CB 4.48Å; Y175-E184 HydrophobicContact CE1-CB 3.56Å; Y175-E184 HydrophobicContact CE2-CB 4.12Å; Y175-E184 HydrophobicContact CE2-CG 4.38Å; Y175-E184 HydrophobicContact CG-CB 4.41Å; Y175-E184 PolarHBondContact N-O 2.71Å; Y175-E184 WeakPolarHBondContact O-CA 3.26Å; Y175-E184 WeakPolarHBondContact O-CB 3.37Å; Y175-E184 PolarHBondContact O-N 3.06Å; Y175-T186 HydrophobicContact CD1-CG2 3.71Å; Y175-T186 HydrophobicContact CE1-CG2 3.88Å; Y175-L196 HydrophobicContact CD1-CD1 4.5Å; Y175-L196 HydrophobicContact CD1-CD2 3.84Å; Y175-L196 HydrophobicContact CE1-CD2 4.2Å; Y175-L196 HydrophobicContact CG-CD1 4.26Å; Y175-L196 HydrophobicContact CG-CD2 4.41Å; Y175-L199 HydrophobicContact CE2-CD1 4.49Å; Y175-Y205 HydrophobicContact CD2-CD1 4.08Å; Y175-Y205 HydrophobicContact CD2-CE1 4.45Å; Y175-E206 CarbonylContact C-O 3.55Å; Y175-E206 VanDerWaalsContact CA-O 3.26Å; Y175-E206 WeakPolarHBondContact CA-O 3.34Å
176R96.4Very high94.6Very high52 Ų5259.3 Ų59.320%0.19630%0.302CS..EExtended strand (participates in β ladder)trans-151.3164.4171.762.6173.9-178.6-173.5-6.1110.1A180 R182 W183 Y205 E206R176-A180 WeakPolarHBondContact CD-O 3.49Å; R176-A180 PolarHBondContact NE-O 3.09Å; R176-A180 PolarHBondContact NH1-O 3.29Å; R176-R182 VanDerWaalsContact CB-O 3.3Å; R176-R182 WeakPolarHBondContact CB-O 3.21Å; R176-W183 HydrophobicContact CB-CD2 4.26Å; R176-W183 HydrophobicContact CB-CE3 4.08Å; R176-W183 HydrophobicContact CB-CZ3 4.49Å; R176-W183 VanDerWaalsContact CD-CE2 3.46Å; R176-W183 HydrophobicContact CG-CD2 3.91Å; R176-W183 HydrophobicContact CG-CE3 3.76Å; R176-W183 HydrophobicContact CG-CH2 3.95Å; R176-W183 HydrophobicContact CG-CZ2 4.07Å; R176-W183 HydrophobicContact CG-CZ3 3.78Å; R176-Y205 CarbonylContact O-C 3.5Å; R176-Y205 VanDerWaalsContact O-CA 3.24Å; R176-Y205 WeakPolarHBondContact O-CA 3.47Å; R176-Y205 WeakPolarHBondContact O-CD1 3.5Å; R176-E206 HydrophobicContact CG-CB 4.2Å; R176-E206 IonicContact CZ-OE2 2.93Å; R176-E206 PolarHBondContact N-O 2.91Å; R176-E206 IonicContact NE-OE2 2.97Å; R176-E206 PolarHBondContact NE-OE2 3.35Å; R176-E206 IonicContact NH2-OE1 3.02Å; R176-E206 IonicContact NH2-OE2 3.09Å; R176-E206 PolarHBondContact NH2-OE2 2.94Å; R176-E206 PolarHBondContact O-N 3.02Å
177Q95.6Very high94.6Very high110 Ų11056.2 Ų56.251%0.51430%0.3SS..EExtended strand (participates in β ladder)trans-66.4135.7162.7-178.5168.45.900109.1G179 A180 V203Q177-G179 PolarHBondContact O-N 2.91Å; Q177-A180 HydrophobicContact CB-CB 4.29Å; Q177-A180 VanDerWaalsContact O-CB 3.22Å; Q177-A180 WeakPolarHBondContact O-CB 3.33Å; Q177-A180 PolarHBondContact O-N 3.2Å; Q177-V203 HydrophobicContact CB-CG1 4.31Å; Q177-V203 VanDerWaalsContact CD-CG1 3.5Å; Q177-V203 HydrophobicContact CG-CG1 3.53Å
178A93.3Very high94.7Very high38 Ų3860 Ų6031%0.31432%0.32SS..THydrogen-bonded Turntrans-57.5122.6-17900000110.1N204 F227A178-N204 HydrophobicContact CB-CB 3.8Å; A178-N204 WeakPolarHBondContact CB-O 3.39Å; A178-N204 PolarHBondContact N-O 2.88Å; A178-F227 HydrophobicContact CB-CD1 4.43Å; A178-F227 HydrophobicContact CB-CE1 4.35Å
179G89.6Confident94.8Very high74 Ų7458.2 Ų58.276%0.76330%0.304SS*.THydrogen-bonded Turntrans90.4-5.4-175.600000115.4Q177Q177-G179 PolarHBondContact O-N 2.91Å
180A93.9Very high94.7Very high36 Ų3664.5 Ų64.530%0.29833%0.331SS..  trans-74.1146.7171.100000111.2R176 Q177R176-A180 WeakPolarHBondContact CD-O 3.49Å; R176-A180 PolarHBondContact NE-O 3.09Å; R176-A180 PolarHBondContact NH1-O 3.29Å; Q177-A180 HydrophobicContact CB-CB 4.29Å; Q177-A180 VanDerWaalsContact O-CB 3.22Å; Q177-A180 WeakPolarHBondContact O-CB 3.33Å; Q177-A180 PolarHBondContact O-N 3.2Å
181E93.4Very high94.7Very high188 Ų18866 Ų6688%0.87934%0.342SS*.SBendtrans-77.4-34.8178.2-66.3-174.3168.600112.5
182R95.4Very high94.6Very high192 Ų19268.5 Ų68.573%0.72536%0.358SS*.PPolyproline II helixtrans-89.4135.6-174.6-174174.3176.4164.2-1111.9R176R176-R182 VanDerWaalsContact CB-O 3.3Å; R176-R182 WeakPolarHBondContact CB-O 3.21Å
183W95.9Very high94.6Very high38 Ų3872.3 Ų72.314%0.14438%0.376CS..PPolyproline II helixtrans-96.5135.3171.7-69.984.9000111.1Q174 R176 E206 R208Q174-W183 HydrophobicContact CB-CB 4.35Å; Q174-W183 HydrophobicContact CB-CD2 4.4Å; Q174-W183 HydrophobicContact CB-CE3 3.77Å; Q174-W183 HydrophobicContact CB-CZ3 4.48Å; R176-W183 HydrophobicContact CB-CD2 4.26Å; R176-W183 HydrophobicContact CB-CE3 4.08Å; R176-W183 HydrophobicContact CB-CZ3 4.49Å; R176-W183 VanDerWaalsContact CD-CE2 3.46Å; R176-W183 HydrophobicContact CG-CD2 3.91Å; R176-W183 HydrophobicContact CG-CE3 3.76Å; R176-W183 HydrophobicContact CG-CH2 3.95Å; R176-W183 HydrophobicContact CG-CZ2 4.07Å; R176-W183 HydrophobicContact CG-CZ3 3.78Å; W183-E206 HydrophobicContact CH2-CB 4.28Å; W183-E206 HydrophobicContact CH2-CG 3.79Å; W183-E206 WeakPolarHBondContact CZ3-O 3.14Å; W183-R208 VanDerWaalsContact CD1-NH2 3.32Å; W183-R208 HydrophobicContact CE3-CG 4.21Å; W183-R208 HydrophobicContact CH2-CB 4.39Å; W183-R208 VanDerWaalsContact CH2-CD 3.44Å; W183-R208 HydrophobicContact CH2-CG 3.68Å; W183-R208 HydrophobicContact CZ2-CG 4.32Å; W183-R208 VanDerWaalsContact CZ2-CZ 3.46Å; W183-R208 HydrophobicContact CZ3-CB 4.49Å; W183-R208 HydrophobicContact CZ3-CG 3.63Å; W183-R208 VanDerWaalsContact NE1-NH2 3.17Å
184E94.9Very high94.6Very high88 Ų8876 Ų7641%0.41139%0.39SS..EExtended strand (participates in β ladder)trans-88.4132170.7-63.5-59.5153.400109.7Q174 Y175Q174-E184 VanDerWaalsContact CA-O 3.32Å; Q174-E184 WeakPolarHBondContact CA-O 3.34Å; Y175-E184 HydrophobicContact CD1-CB 3.97Å; Y175-E184 HydrophobicContact CD2-CB 4.48Å; Y175-E184 HydrophobicContact CE1-CB 3.56Å; Y175-E184 HydrophobicContact CE2-CB 4.12Å; Y175-E184 HydrophobicContact CE2-CG 4.38Å; Y175-E184 HydrophobicContact CG-CB 4.41Å; Y175-E184 PolarHBondContact N-O 2.71Å; Y175-E184 WeakPolarHBondContact O-CA 3.26Å; Y175-E184 WeakPolarHBondContact O-CB 3.37Å; Y175-E184 PolarHBondContact O-N 3.06Å
185Q92.7Very high94.6Very high138 Ų13876.9 Ų76.965%0.64540%0.397SS*.EExtended strand (participates in β ladder)trans-95.3131.2-179-66.9-177.3-10.900110.1Q174Q174-Q185 HydrophobicContact CG-CG 4.4Å
186T90.6Very high94.6Very high22 Ų2274.4 Ų74.414%0.13539%0.387CS..EExtended strand (participates in β ladder)trans-88.3-13.8177.862.60000112.9A173 Y175 R194 L196A173-T186 WeakPolarHBondContact CB-OG1 3.32Å; A173-T186 WeakPolarHBondContact O-CB 3.24Å; A173-T186 WeakPolarHBondContact O-CG2 3.24Å; A173-T186 PolarHBondContact O-N 3.37Å; A173-T186 VanDerWaalsContact O-N 3.15Å; A173-T186 PolarHBondContact O-OG1 3.11Å; Y175-T186 HydrophobicContact CD1-CG2 3.71Å; Y175-T186 HydrophobicContact CE1-CG2 3.88Å; T186-R194 VanDerWaalsContact O-CZ 3.22Å; T186-R194 PolarHBondContact O-NH2 2.99Å; T186-L196 HydrophobicContact CG2-CD2 3.24Å
187G91.3Very high94.5Very high32 Ų3278.1 Ų78.133%0.3341%0.405SS..EExtended strand (participates in β ladder)trans94.1162.1-174.300000112.5
188L95.4Very high94.4Very high80 Ų8075 Ų7542%0.41940%0.402SS..EExtended strand (participates in β ladder)trans-78.2134.9-173.2-71.6154000111.9Q170 Y171 D172 F219Q170-L188 HydrophobicContact CG-CB 3.88Å; Q170-L188 HydrophobicContact CG-CD2 3.81Å; Q170-L188 HydrophobicContact CG-CG 4.39Å; Q170-L188 VanDerWaalsContact NE2-CB 3.33Å; Y171-L188 WeakPolarHBondContact O-CA 3.34Å; D172-L188 HydrophobicContact CB-CD2 4.08Å; L188-F219 HydrophobicContact CD2-CE1 3.89Å; L188-F219 HydrophobicContact CD2-CZ 3.85Å
189V96.1Very high94.4Very high16 Ų1673.3 Ų73.310%0.09739%0.388CS..EExtended strand (participates in β ladder)trans-129150.3175.7-66.20000112.1W154 Q170 Y171W154-V189 HydrophobicContact CH2-CG2 4.2Å; W154-V189 HydrophobicContact CZ2-CG2 3.9Å; Q170-V189 CarbonylContact C-O 3.59Å; Q170-V189 WeakPolarHBondContact CA-O 3.48Å; Y171-V189 PolarHBondContact N-O 2.8Å; Y171-V189 PolarHBondContact O-N 3.27Å
190K94.9Very high94.6Very high141 Ų14174.9 Ų74.961%0.61338%0.375SS*.SBendtrans-91.6-17.6171.4-58.8-175.3-174.6-1730112.4L214K190-L214 HydrophobicContact CD-CD1 4.31Å; K190-L214 HydrophobicContact CG-CD1 4.48Å
191T95.6Very high94.5Very high65 Ų6573.9 Ų73.940%0.39937%0.365SS..SBendtrans-79158.9178.850.30000111.5Y171 H193Y171-T191 WeakPolarHBondContact CD2-O 3.42Å; T191-H193 PolarHBondContact O-N 3.14Å; T191-H193 PolarHBondContact OG1-O 3.02Å
192T96.3Very high94.4Very high57 Ų5769.8 Ų69.835%0.3535%0.35SS..SBendtrans-86.117.3176.251.80000113.6S153 W154 Y171S153-T192 WeakPolarHBondContact CA-O 2.95Å; W154-T192 PolarHBondContact N-O 3.15Å; W154-T192 WeakPolarHBondContact O-CB 3.45Å; Y171-T192 HydrophobicContact CE2-CG2 4.48Å
193H96.3Very high94.3Very high88 Ų8861.6 Ų61.641%0.40732%0.321SS..EExtended strand (participates in β ladder)trans-148.4152.6179.859.8-89000110.8M151 L152 T191M151-H193 HydrophobicContact SD-CB 4.28Å; L152-H193 CarbonylContact O-C 3.54Å; L152-H193 WeakPolarHBondContact O-CA 3.5Å; L152-H193 WeakPolarHBondContact O-CB 3.29Å; T191-H193 PolarHBondContact O-N 3.14Å; T191-H193 PolarHBondContact OG1-O 3.02Å
194R96.3Very high94.3Very high78 Ų7863.8 Ų63.829%0.29434%0.335SS..EExtended strand (participates in β ladder)trans-152133178.5179.971.3-174.1-160.71.7111.2L152 W154 T186L152-R194 VanDerWaalsContact CB-O 3.29Å; L152-R194 WeakPolarHBondContact CB-O 3.45Å; L152-R194 PolarHBondContact N-O 2.92Å; L152-R194 PolarHBondContact O-N 3.44Å; W154-R194 HydrophobicContact CH2-CB 3.57Å; W154-R194 HydrophobicContact CZ3-CB 3.99Å; T186-R194 VanDerWaalsContact O-CZ 3.22Å; T186-R194 PolarHBondContact O-NH2 2.99Å
195S95.8Very high94.4Very high26 Ų2660.7 Ų60.718%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-84.6136.6173.251.70000112A150 M151 F197A150-S195 CarbonylContact O-C 3.57Å; A150-S195 WeakPolarHBondContact O-CA 3.11Å; M151-S195 PolarHBondContact SD-N 2.97Å; M151-S195 VanDerWaalsContact SD-N 3.44Å; S195-F197 VanDerWaalsContact CB-CZ 3.42Å; S195-F197 WeakPolarHBondContact OG-CE2 3.45Å; S195-F197 WeakPolarHBondContact OG-CZ 3.47Å
196L96.3Very high94.6Very high4 Ų455.4 Ų55.42%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-105131.8167.3-56.7-175.9000108.3D149 A150 L152 Y175 T186 L199 V207 I228D149-L196 CarbonylContact C-O 3.49Å; D149-L196 WeakPolarHBondContact CA-O 2.99Å; A150-L196 PolarHBondContact N-O 3.06Å; A150-L196 PolarHBondContact O-N 3.3Å; L152-L196 HydrophobicContact CD1-CD1 3.98Å; L152-L196 HydrophobicContact CD1-CD2 4.03Å; L152-L196 HydrophobicContact CD1-CG 3.92Å; L152-L196 HydrophobicContact CD2-CD1 4.07Å; L152-L196 HydrophobicContact CD2-CG 4.49Å; L152-L196 HydrophobicContact CG-CD1 4.1Å; L152-L196 HydrophobicContact CG-CG 4.02Å; Y175-L196 HydrophobicContact CD1-CD1 4.5Å; Y175-L196 HydrophobicContact CD1-CD2 3.84Å; Y175-L196 HydrophobicContact CE1-CD2 4.2Å; Y175-L196 HydrophobicContact CG-CD1 4.26Å; Y175-L196 HydrophobicContact CG-CD2 4.41Å; T186-L196 HydrophobicContact CG2-CD2 3.24Å; L196-L199 HydrophobicContact CB-CD1 3.55Å; L196-L199 HydrophobicContact CB-CD2 4.42Å; L196-L199 HydrophobicContact CD1-CD2 4.07Å; L196-V207 HydrophobicContact CD1-CG2 4.22Å; L196-I228 HydrophobicContact CD1-CD1 4.34Å
197F94.4Very high94.9Very high130 Ų13054.4 Ų54.457%0.5729%0.289SS*.EExtended strand (participates in β ladder)trans-119.8145.6-174.8-58.7-71.8000111.8D149 S195 L199D149-F197 HydrophobicContact CB-CD1 4.06Å; D149-F197 VanDerWaalsContact OD1-CA 3.25Å; D149-F197 WeakPolarHBondContact OD1-CA 3.49Å; S195-F197 VanDerWaalsContact CB-CZ 3.42Å; S195-F197 WeakPolarHBondContact OG-CE2 3.45Å; S195-F197 WeakPolarHBondContact OG-CZ 3.47Å; F197-L199 PolarHBondContact O-N 2.9Å
198G93.2Very high95.1Very high43 Ų4355.4 Ų55.444%0.44328%0.283SS..EExtended strand (participates in β ladder)trans67.332.1170.900000114.3H147 F148 D149H147-G198 PolarHBondContact CD2-O 3.28Å; F148-G198 PolarHBondContact O-N 2.97Å; D149-G198 PolarHBondContact OD1-N 3.03Å
199L94.8Very high95.2Very high3 Ų351.6 Ų51.62%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-74.4143.1175.8-83.670.3000109.7H147 F148 Y175 L196 F197 Y205H147-L199 CarbonylContact C-O 3.59Å; H147-L199 WeakPolarHBondContact CA-O 3.42Å; H147-L199 WeakPolarHBondContact CB-O 3.3Å; F148-L199 HydrophobicContact CD1-CB 4.06Å; F148-L199 WeakPolarHBondContact CD1-O 3.44Å; F148-L199 HydrophobicContact CD2-CB 4.18Å; F148-L199 HydrophobicContact CE1-CB 3.63Å; F148-L199 HydrophobicContact CE2-CB 3.72Å; F148-L199 HydrophobicContact CE2-CD2 3.88Å; F148-L199 HydrophobicContact CE2-CG 4.38Å; F148-L199 HydrophobicContact CG-CB 4.34Å; F148-L199 HydrophobicContact CZ-CB 3.44Å; F148-L199 VanDerWaalsContact CZ-CB 3.44Å; F148-L199 HydrophobicContact CZ-CD2 3.75Å; F148-L199 HydrophobicContact CZ-CG 4.24Å; F148-L199 PolarHBondContact N-O 2.81Å; F148-L199 PolarHBondContact O-N 2.78Å; Y175-L199 HydrophobicContact CE2-CD1 4.49Å; L196-L199 HydrophobicContact CB-CD1 3.55Å; L196-L199 HydrophobicContact CB-CD2 4.42Å; L196-L199 HydrophobicContact CD1-CD2 4.07Å; F197-L199 PolarHBondContact O-N 2.9Å; L199-Y205 HydrophobicContact CB-CD2 4.46Å; L199-Y205 HydrophobicContact CB-CE2 3.91Å; L199-Y205 HydrophobicContact CD2-CD1 4.15Å; L199-Y205 HydrophobicContact CD2-CD2 3.85Å; L199-Y205 HydrophobicContact CD2-CE1 4.4Å; L199-Y205 HydrophobicContact CD2-CE2 4.08Å; L199-Y205 HydrophobicContact CD2-CG 3.87Å; L199-Y205 HydrophobicContact CG-CD2 4.44Å; L199-Y205 HydrophobicContact CG-CE1 4.34Å; L199-Y205 HydrophobicContact CG-CE2 4.17Å
200Q93.3Very high95.3Very high108 Ų10853.3 Ų53.351%0.50527%0.268SS..EExtended strand (participates in β ladder)trans-77.7131.8-179.2-65.4-174.316.700111.4F148 V203 Y205F148-Q200 WeakPolarHBondContact CE1-O 3.4Å; Q200-V203 HydrophobicContact CB-CG2 4.09Å; Q200-Y205 PolarHBondContact N-OH 2.98Å; Q200-Y205 WeakPolarHBondContact O-CE2 3.06Å
201T92.4Very high95.3Very high14 Ų1446.6 Ų46.69%0.08624%0.239CC..THydrogen-bonded Turntrans-67157.3171.957.60000111.5G145 S146 F148 V203 I230 S232G145-T201 WeakPolarHBondContact O-CG2 3.18Å; G145-T201 PolarHBondContact O-OG1 3.4Å; S146-T201 VanDerWaalsContact C-OG1 3.27Å; S146-T201 WeakPolarHBondContact CA-OG1 3.35Å; S146-T201 PolarHBondContact O-N 3.34Å; S146-T201 PolarHBondContact O-OG1 3.15Å; F148-T201 HydrophobicContact CB-CG2 4.39Å; F148-T201 HydrophobicContact CD1-CG2 3.84Å; T201-V203 PolarHBondContact O-N 2.92Å; T201-I230 HydrophobicContact CG2-CG2 4.34Å; T201-S232 WeakPolarHBondContact OG1-CB 3.4Å
202N90.5Very high95.3Very high103 Ų10345 Ų4555%0.55123%0.226SC*.THydrogen-bonded Turntrans61.623.5-176.9-16140.7000114.4I230N202-I230 PolarHBondContact N-O 2.84Å
203V93.2Very high95.2Very high20 Ų2043.1 Ų43.112%0.12121%0.214CC..  trans-121.6138.8173.2177.70000108.4Q177 Q200 T201 Y205Q177-V203 HydrophobicContact CB-CG1 4.31Å; Q177-V203 VanDerWaalsContact CD-CG1 3.5Å; Q177-V203 HydrophobicContact CG-CG1 3.53Å; Q200-V203 HydrophobicContact CB-CG2 4.09Å; T201-V203 PolarHBondContact O-N 2.92Å; V203-Y205 HydrophobicContact CB-CD2 4.43Å; V203-Y205 HydrophobicContact CB-CE2 3.8Å; V203-Y205 HydrophobicContact CG1-CD2 4.29Å; V203-Y205 HydrophobicContact CG1-CE1 4.41Å; V203-Y205 HydrophobicContact CG1-CE2 3.84Å
204N95.5Very high94.9Very high84 Ų8442.2 Ų42.245%0.44921%0.212SC..EExtended strand (participates in β ladder)trans-84.4121.4172.5-67.6-10.4000108.5A178 H229A178-N204 HydrophobicContact CB-CB 3.8Å; A178-N204 WeakPolarHBondContact CB-O 3.39Å; A178-N204 PolarHBondContact N-O 2.88Å; N204-H229 WeakPolarHBondContact OD1-CB 3.47Å; N204-H229 VanDerWaalsContact OD1-CG 3.24Å; N204-H229 PolarHBondContact OD1-ND1 3.07Å
205Y96.8Very high94.5Very high22 Ų2243 Ų439%0.08624%0.235CC..EExtended strand (participates in β ladder)trans-104.3144.4171.5-68.2-86.9000110.2F148 Y175 R176 L199 Q200 V203 F227 I228F148-Y205 HydrophobicContact CE1-CD2 4.48Å; F148-Y205 HydrophobicContact CE1-CE2 4.25Å; F148-Y205 HydrophobicContact CZ-CD2 4.15Å; F148-Y205 HydrophobicContact CZ-CE2 4.29Å; Y175-Y205 HydrophobicContact CD2-CD1 4.08Å; Y175-Y205 HydrophobicContact CD2-CE1 4.45Å; R176-Y205 CarbonylContact O-C 3.5Å; R176-Y205 VanDerWaalsContact O-CA 3.24Å; R176-Y205 WeakPolarHBondContact O-CA 3.47Å; R176-Y205 WeakPolarHBondContact O-CD1 3.5Å; L199-Y205 HydrophobicContact CB-CD2 4.46Å; L199-Y205 HydrophobicContact CB-CE2 3.91Å; L199-Y205 HydrophobicContact CD2-CD1 4.15Å; L199-Y205 HydrophobicContact CD2-CD2 3.85Å; L199-Y205 HydrophobicContact CD2-CE1 4.4Å; L199-Y205 HydrophobicContact CD2-CE2 4.08Å; L199-Y205 HydrophobicContact CD2-CG 3.87Å; L199-Y205 HydrophobicContact CG-CD2 4.44Å; L199-Y205 HydrophobicContact CG-CE1 4.34Å; L199-Y205 HydrophobicContact CG-CE2 4.17Å; Q200-Y205 PolarHBondContact N-OH 2.98Å; Q200-Y205 WeakPolarHBondContact O-CE2 3.06Å; V203-Y205 HydrophobicContact CB-CD2 4.43Å; V203-Y205 HydrophobicContact CB-CE2 3.8Å; V203-Y205 HydrophobicContact CG1-CD2 4.29Å; V203-Y205 HydrophobicContact CG1-CE1 4.41Å; V203-Y205 HydrophobicContact CG1-CE2 3.84Å; Y205-F227 CarbonylContact O-C 3.55Å; Y205-F227 WeakPolarHBondContact O-CA 3.27Å; Y205-I228 PolarHBondContact N-O 2.89Å; Y205-I228 PolarHBondContact O-N 2.93Å
206E96.8Very high94Very high27 Ų2742 Ų4213%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-110.1132.6171.1-173.5-172.9-178.900108Y175 R176 W183 F227Y175-E206 CarbonylContact C-O 3.55Å; Y175-E206 VanDerWaalsContact CA-O 3.26Å; Y175-E206 WeakPolarHBondContact CA-O 3.34Å; R176-E206 HydrophobicContact CG-CB 4.2Å; R176-E206 IonicContact CZ-OE2 2.93Å; R176-E206 PolarHBondContact N-O 2.91Å; R176-E206 IonicContact NE-OE2 2.97Å; R176-E206 PolarHBondContact NE-OE2 3.35Å; R176-E206 IonicContact NH2-OE1 3.02Å; R176-E206 IonicContact NH2-OE2 3.09Å; R176-E206 PolarHBondContact NH2-OE2 2.94Å; R176-E206 PolarHBondContact O-N 3.02Å; W183-E206 HydrophobicContact CH2-CB 4.28Å; W183-E206 HydrophobicContact CH2-CG 3.79Å; W183-E206 WeakPolarHBondContact CZ3-O 3.14Å; E206-F227 HydrophobicContact CB-CD1 3.98Å; E206-F227 HydrophobicContact CB-CE1 3.73Å; E206-F227 HydrophobicContact CG-CD1 4.2Å; E206-F227 HydrophobicContact CG-CE1 3.64Å; E206-F227 HydrophobicContact CG-CZ 4.03Å
207V96.9Very high93.5Very high1 Ų149.7 Ų49.71%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-129.3138-176.8-1730000109.8L134 L152 Q174 L196 S225 V226 I228L134-V207 HydrophobicContact CD2-CG1 4.49Å; L152-V207 HydrophobicContact CD1-CG1 3.52Å; L152-V207 HydrophobicContact CD2-CB 4.47Å; L152-V207 HydrophobicContact CD2-CG1 3.82Å; L152-V207 HydrophobicContact CD2-CG2 4.39Å; L152-V207 HydrophobicContact CG-CG1 4.31Å; Q174-V207 WeakPolarHBondContact O-CA 3.44Å; Q174-V207 WeakPolarHBondContact O-CG1 3.14Å; L196-V207 HydrophobicContact CD1-CG2 4.22Å; V207-S225 CarbonylContact O-C 3.59Å; V207-S225 VanDerWaalsContact O-CA 3.25Å; V207-S225 WeakPolarHBondContact O-CA 3.47Å; V207-V226 PolarHBondContact N-O 2.91Å; V207-V226 PolarHBondContact O-N 2.91Å; V207-I228 HydrophobicContact CG2-CD1 3.66Å; V207-I228 HydrophobicContact CG2-CG1 4.08Å
208R96.9Very high93.4Very high54 Ų5446.5 Ų46.520%0.20425%0.251CS..EExtended strand (participates in β ladder)trans-142.815317564.7-175-176.4178.83.3110.7Q174 W183 F222Q174-R208 HydrophobicContact CB-CG 4.41Å; Q174-R208 PolarHBondContact N-O 3.01Å; Q174-R208 PolarHBondContact O-N 2.73Å; W183-R208 VanDerWaalsContact CD1-NH2 3.32Å; W183-R208 HydrophobicContact CE3-CG 4.21Å; W183-R208 HydrophobicContact CH2-CB 4.39Å; W183-R208 VanDerWaalsContact CH2-CD 3.44Å; W183-R208 HydrophobicContact CH2-CG 3.68Å; W183-R208 HydrophobicContact CZ2-CG 4.32Å; W183-R208 VanDerWaalsContact CZ2-CZ 3.46Å; W183-R208 HydrophobicContact CZ3-CB 4.49Å; W183-R208 HydrophobicContact CZ3-CG 3.63Å; W183-R208 VanDerWaalsContact NE1-NH2 3.17Å; R208-F222 HydrophobicContact CB-CD1 4.13Å; R208-F222 HydrophobicContact CG-CD1 3.54Å; R208-F222 HydrophobicContact CG-CE1 3.89Å; R208-F222 HydrophobicContact CG-CG 4.2Å
209V97.6Very high93.5Very high0 Ų047.1 Ų47.10%024%0.241CC..EExtended strand (participates in β ladder)trans-130.2141.6-178.4-1740000109.2P131 L134 W154 Y171 D172 A173 S223P131-V209 HydrophobicContact CG-CG1 4.25Å; L134-V209 HydrophobicContact CD1-CG2 3.59Å; L134-V209 HydrophobicContact CD2-CG2 4.03Å; L134-V209 HydrophobicContact CG-CG2 4.44Å; W154-V209 HydrophobicContact CD2-CG1 4.07Å; W154-V209 HydrophobicContact CD2-CG2 4.27Å; W154-V209 HydrophobicContact CE3-CG1 4.36Å; W154-V209 HydrophobicContact CE3-CG2 3.82Å; W154-V209 HydrophobicContact CH2-CG1 4.34Å; W154-V209 HydrophobicContact CH2-CG2 4.45Å; W154-V209 HydrophobicContact CZ2-CG1 4.09Å; W154-V209 HydrophobicContact CZ3-CG1 4.47Å; W154-V209 HydrophobicContact CZ3-CG2 3.89Å; Y171-V209 HydrophobicContact CD1-CG1 4.4Å; D172-V209 WeakPolarHBondContact O-CA 3.11Å; A173-V209 HydrophobicContact CB-CG1 4.49Å; A173-V209 HydrophobicContact CB-CG2 3.84Å; V209-S223 PolarHBondContact N-OG 2.89Å; V209-S223 VanDerWaalsContact N-OG 3.1Å; V209-S223 VanDerWaalsContact O-CB 3.29Å; V209-S223 WeakPolarHBondContact O-CB 3.29Å; V209-S223 PolarHBondContact O-N 2.92Å; V209-S223 PolarHBondContact O-OG 3.05Å
210R96.9Very high93.5Very high51 Ų5147.4 Ų47.419%0.19225%0.245CC..EExtended strand (participates in β ladder)trans-130164169.460-178.9174.1173.94.1109.5Y171 D172 F219 D221 F222Y171-R210 WeakPolarHBondContact CA-O 3.04Å; D172-R210 HydrophobicContact CB-CG 4.1Å; D172-R210 PolarHBondContact N-O 3.46Å; D172-R210 PolarHBondContact O-N 3.41Å; D172-R210 IonicContact OD2-CZ 3.19Å; D172-R210 IonicContact OD2-NE 2.8Å; D172-R210 PolarHBondContact OD2-NE 3.08Å; D172-R210 VanDerWaalsContact OD2-NE 3.09Å; D172-R210 IonicContact OD2-NH2 2.74Å; D172-R210 PolarHBondContact OD2-NH2 2.64Å; R210-F219 HydrophobicContact CG-CD1 3.95Å; R210-D221 WeakPolarHBondContact CB-O 3.43Å; R210-F222 HydrophobicContact CB-CD1 3.73Å; R210-F222 HydrophobicContact CB-CE1 4.04Å; R210-F222 HydrophobicContact CB-CG 4.2Å; R210-F222 VanDerWaalsContact CD-CZ 3.4Å; R210-F222 HydrophobicContact CG-CD1 3.85Å; R210-F222 HydrophobicContact CG-CE1 3.61Å; R210-F222 HydrophobicContact CG-CZ 4.17Å
211C96.3Very high93.6Very high0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-128.5162.4176.261.90000111.9D129 P131 Q170 Y171 G220D129-C211 PolarHBondContact O-SG 2.85Å; P131-C211 HydrophobicContact CG-CB 3.93Å; Q170-C211 CarbonylContact O-C 3.54Å; Q170-C211 VanDerWaalsContact O-CA 3.26Å; Q170-C211 WeakPolarHBondContact O-CA 3.33Å; Y171-C211 HydrophobicContact CD1-CB 3.55Å; Y171-C211 HydrophobicContact CE1-CB 3.7Å; Y171-C211 HydrophobicContact CG-CB 4.38Å; C211-G220 PolarHBondContact O-N 2.95Å
212K95.3Very high93.8Very high32 Ų3248.8 Ų48.814%0.13925%0.252CS..EExtended strand (participates in β ladder)trans-141.4164.9168.164.1169.1-170.5155.70109.7L169 Q170 G216 D218 F219L169-K212 CarbonylContact C-O 3.53Å; L169-K212 WeakPolarHBondContact CA-O 2.97Å; Q170-K212 HydrophobicContact CB-CG 4.32Å; Q170-K212 PolarHBondContact N-O 3.26Å; Q170-K212 PolarHBondContact O-N 3.08Å; K212-G216 PolarHBondContact NZ-O 2.72Å; K212-D218 WeakPolarHBondContact CB-O 3.31Å; K212-F219 HydrophobicContact CB-CD1 3.74Å; K212-F219 HydrophobicContact CB-CE1 4.1Å; K212-F219 HydrophobicContact CB-CG 4.12Å; K212-F219 HydrophobicContact CD-CD1 3.99Å; K212-F219 HydrophobicContact CD-CD2 4.2Å; K212-F219 HydrophobicContact CD-CE1 3.63Å; K212-F219 HydrophobicContact CD-CE2 3.86Å; K212-F219 HydrophobicContact CD-CG 4.27Å; K212-F219 HydrophobicContact CD-CZ 3.57Å; K212-F219 HydrophobicContact CG-CD1 3.8Å; K212-F219 HydrophobicContact CG-CE1 3.6Å; K212-F219 HydrophobicContact CG-CG 4.44Å; K212-F219 HydrophobicContact CG-CZ 4.09Å
213M93.9Very high94.1Very high18 Ų1844.4 Ų44.49%0.08923%0.23CC..EExtended strand (participates in β ladder)trans-66.3145.9168.6-169.9170.768.700110.3M37 E123 V126 A168 A215 G216M37-M213 HydrophobicContact SD-CE 4.31Å; M37-M213 HydrophobicContact SD-SD 3.58Å; E123-M213 HydrophobicContact CB-CE 3.89Å; E123-M213 VanDerWaalsContact O-CE 3.31Å; E123-M213 WeakPolarHBondContact O-CE 3.4Å; V126-M213 HydrophobicContact CB-CB 4.49Å; V126-M213 HydrophobicContact CB-CE 4.14Å; V126-M213 HydrophobicContact CB-SD 4.25Å; V126-M213 HydrophobicContact CG1-CB 4.09Å; V126-M213 HydrophobicContact CG1-SD 4.12Å; V126-M213 HydrophobicContact CG2-CE 4.04Å; V126-M213 HydrophobicContact CG2-SD 4.16Å; A168-M213 CarbonylContact O-C 3.59Å; A168-M213 WeakPolarHBondContact O-CA 2.98Å; M213-A215 VanDerWaalsContact C-N 3.32Å; M213-A215 PolarHBondContact O-N 3.28Å; M213-G216 WeakPolarHBondContact O-CA 3.46Å; M213-G216 PolarHBondContact O-N 3.02Å
214L90.8Very high94.2Very high69 Ų6950.7 Ų50.736%0.36126%0.262SS..THydrogen-bonded Turntrans-58.2-41.8-174.4179.362.9000113A168 Q170 K190A168-L214 HydrophobicContact CB-CB 4.01Å; A168-L214 HydrophobicContact CB-CD2 4.28Å; A168-L214 WeakPolarHBondContact O-CB 3.42Å; A168-L214 PolarHBondContact O-N 2.99Å; Q170-L214 HydrophobicContact CB-CD1 4.37Å; K190-L214 HydrophobicContact CD-CD1 4.31Å; K190-L214 HydrophobicContact CG-CD1 4.48Å
215A86.1Confident94.2Very high95 Ų9548.8 Ų48.879%0.78526%0.256SS*.THydrogen-bonded Turntrans-94.11.5172.600000112.8M213M213-A215 VanDerWaalsContact C-N 3.32Å; M213-A215 PolarHBondContact O-N 3.28Å
216G85.3Confident94.2Very high5 Ų549.5 Ų49.55%0.05226%0.263CS..  trans-78.4149.7-178.300000112.8K212 M213K212-G216 PolarHBondContact NZ-O 2.72Å; M213-G216 WeakPolarHBondContact O-CA 3.46Å; M213-G216 PolarHBondContact O-N 3.02Å
217K86.5Confident94.1Very high164 Ų16454 Ų5471%0.71328%0.282SS*.SBendtrans-84.1-47.1179.2-171179.6178.3-1740111.9
218D91.8Very high94.1Very high63 Ų6354 Ų5434%0.33728%0.282SS..SBendtrans-95.6149.3-169.7-65.5-20.2000112.3Q127 K212Q127-D218 HydrophobicContact CG-CB 3.77Å; Q127-D218 PolarHBondContact NE2-OD2 2.87Å; K212-D218 WeakPolarHBondContact CB-O 3.31Å
219F95.3Very high94Very high57 Ų5755.5 Ų55.525%0.2529%0.291CS..  trans-93.5146.1173-70.5-92.8000110.8D172 L188 R210 K212D172-F219 HydrophobicContact CB-CD1 4.48Å; D172-F219 HydrophobicContact CB-CE1 3.79Å; D172-F219 HydrophobicContact CB-CZ 4.4Å; L188-F219 HydrophobicContact CD2-CE1 3.89Å; L188-F219 HydrophobicContact CD2-CZ 3.85Å; R210-F219 HydrophobicContact CG-CD1 3.95Å; K212-F219 HydrophobicContact CB-CD1 3.74Å; K212-F219 HydrophobicContact CB-CE1 4.1Å; K212-F219 HydrophobicContact CB-CG 4.12Å; K212-F219 HydrophobicContact CD-CD1 3.99Å; K212-F219 HydrophobicContact CD-CD2 4.2Å; K212-F219 HydrophobicContact CD-CE1 3.63Å; K212-F219 HydrophobicContact CD-CE2 3.86Å; K212-F219 HydrophobicContact CD-CG 4.27Å; K212-F219 HydrophobicContact CD-CZ 3.57Å; K212-F219 HydrophobicContact CG-CD1 3.8Å; K212-F219 HydrophobicContact CG-CE1 3.6Å; K212-F219 HydrophobicContact CG-CG 4.44Å; K212-F219 HydrophobicContact CG-CZ 4.09Å
220G94.9Very high93.7Very high8 Ų856.2 Ų56.28%0.08230%0.295CS..  trans-68.2-178.1163.300000112.7P128 C211P128-G220 VanDerWaalsContact O-CA 3.24Å; P128-G220 WeakPolarHBondContact O-CA 3.41Å; C211-G220 PolarHBondContact O-N 2.95Å
221D96Very high93.3Very high91 Ų9158 Ų5849%0.48731%0.312SS..PPolyproline II helixtrans-66.8161.2177-62.4-57.1000111.3R35 P130 R210R35-D221 IonicContact CZ-OD2 3.61Å; R35-D221 IonicContact NH1-OD2 3.72Å; R35-D221 IonicContact NH2-OD2 3.81Å; R35-D221 PolarHBondContact NH2-OD2 2.87Å; P130-D221 WeakPolarHBondContact CB-O 2.97Å; P130-D221 HydrophobicContact CG-CB 4.47Å; R210-D221 WeakPolarHBondContact CB-O 3.43Å
222F96.6Very high92.6Very high61 Ų6160.2 Ų60.227%0.26833%0.328SS..PPolyproline II helixtrans-77.8147173.7-75.4-80.1000111.2Q174 R208 R210Q174-F222 HydrophobicContact CG-CE1 4.39Å; R208-F222 HydrophobicContact CB-CD1 4.13Å; R208-F222 HydrophobicContact CG-CD1 3.54Å; R208-F222 HydrophobicContact CG-CE1 3.89Å; R208-F222 HydrophobicContact CG-CG 4.2Å; R210-F222 HydrophobicContact CB-CD1 3.73Å; R210-F222 HydrophobicContact CB-CE1 4.04Å; R210-F222 HydrophobicContact CB-CG 4.2Å; R210-F222 VanDerWaalsContact CD-CZ 3.4Å; R210-F222 HydrophobicContact CG-CD1 3.85Å; R210-F222 HydrophobicContact CG-CE1 3.61Å; R210-F222 HydrophobicContact CG-CZ 4.17Å
223S97Very high91.5Very high11 Ų1167.9 Ų67.98%0.07736%0.361CS..PPolyproline II helixtrans-62.6163.6167.274.40000111.2P131 V209 S225P131-S223 WeakPolarHBondContact O-CB 3.36Å; V209-S223 PolarHBondContact N-OG 2.89Å; V209-S223 VanDerWaalsContact N-OG 3.1Å; V209-S223 VanDerWaalsContact O-CB 3.29Å; V209-S223 WeakPolarHBondContact O-CB 3.29Å; V209-S223 PolarHBondContact O-N 2.92Å; V209-S223 PolarHBondContact O-OG 3.05Å; S223-S225 PolarHBondContact O-N 2.87Å
224D95.3Very high90.1Very high151 Ų15170.4 Ų70.481%0.80738%0.378SS*.PPolyproline II helixtrans-53.6138.2164-64.3-41.6000110.3
225S95.6Very high88.5Confident45 Ų4571.6 Ų71.632%0.31539%0.392SS..PPolyproline II helixtrans-83.5141.3-175.5-59.90000111V207 S223V207-S225 CarbonylContact O-C 3.59Å; V207-S225 VanDerWaalsContact O-CA 3.25Å; V207-S225 WeakPolarHBondContact O-CA 3.47Å; S223-S225 PolarHBondContact O-N 2.87Å
226V96.1Very high87.3Confident37 Ų3778.1 Ų78.122%0.22440%0.396CS..EExtended strand (participates in β ladder)trans-116.6141.8179.2178.10000109.8L134 V207L134-V226 HydrophobicContact CB-CG2 4.09Å; L134-V226 HydrophobicContact CD2-CB 4.3Å; L134-V226 HydrophobicContact CD2-CG2 3.98Å; L134-V226 HydrophobicContact CG-CB 4.43Å; L134-V226 HydrophobicContact CG-CG2 3.9Å; L134-V226 WeakPolarHBondContact O-CG2 3.29Å; V207-V226 PolarHBondContact N-O 2.91Å; V207-V226 PolarHBondContact O-N 2.91Å
227F96Very high86Confident122 Ų12284.6 Ų84.654%0.53542%0.423SS..EExtended strand (participates in β ladder)trans-101.2132.2179.6-61.6-85.1000111.7W136 A178 Y205 E206W136-F227 PolarHBondContact NE1-O 2.88Å; A178-F227 HydrophobicContact CB-CD1 4.43Å; A178-F227 HydrophobicContact CB-CE1 4.35Å; Y205-F227 CarbonylContact O-C 3.55Å; Y205-F227 WeakPolarHBondContact O-CA 3.27Å; E206-F227 HydrophobicContact CB-CD1 3.98Å; E206-F227 HydrophobicContact CB-CE1 3.73Å; E206-F227 HydrophobicContact CG-CD1 4.2Å; E206-F227 HydrophobicContact CG-CE1 3.64Å; E206-F227 HydrophobicContact CG-CZ 4.03Å
228I95.7Very high85.3Confident1 Ų180.1 Ų80.11%0.00541%0.411CS..EExtended strand (participates in β ladder)trans-110.6120.7175.8-50.5-177.7000107.8W136 F148 A150 L152 L196 Y205 V207 I230W136-I228 HydrophobicContact CB-CD1 4.01Å; W136-I228 HydrophobicContact CB-CG1 4.37Å; W136-I228 HydrophobicContact CD2-CB 4.41Å; W136-I228 HydrophobicContact CD2-CD1 4.24Å; W136-I228 HydrophobicContact CD2-CG1 3.94Å; W136-I228 HydrophobicContact CD2-CG2 3.94Å; W136-I228 HydrophobicContact CE3-CG2 3.97Å; W136-I228 HydrophobicContact CG-CD1 3.91Å; W136-I228 HydrophobicContact CG-CG1 3.76Å; W136-I228 HydrophobicContact CH2-CG2 4.01Å; W136-I228 HydrophobicContact CZ2-CG2 3.97Å; W136-I228 HydrophobicContact CZ3-CG2 4.01Å; F148-I228 HydrophobicContact CE2-CG2 3.79Å; F148-I228 HydrophobicContact CZ-CG2 3.76Å; A150-I228 HydrophobicContact CB-CD1 4.42Å; L152-I228 HydrophobicContact CD2-CD1 4.03Å; L196-I228 HydrophobicContact CD1-CD1 4.34Å; Y205-I228 PolarHBondContact N-O 2.89Å; Y205-I228 PolarHBondContact O-N 2.93Å; V207-I228 HydrophobicContact CG2-CD1 3.66Å; V207-I228 HydrophobicContact CG2-CG1 4.08Å; I228-I230 HydrophobicContact CG2-CD1 4.38Å
229H94.1Very high84.3Confident84 Ų8480.7 Ų80.739%0.38942%0.417SS..EExtended strand (participates in β ladder)trans-135.4122172.5178.377.4000109.5N204N204-H229 WeakPolarHBondContact OD1-CB 3.47Å; N204-H229 VanDerWaalsContact OD1-CG 3.24Å; N204-H229 PolarHBondContact OD1-ND1 3.07Å
230I92.9Very high83.4Confident16 Ų1684.3 Ų84.38%0.08244%0.436CS..  trans-123.3117.4174.8-70.9158000108.2W136 L138 F148 T201 N202 I228W136-I230 HydrophobicContact CH2-CD1 4.16Å; W136-I230 HydrophobicContact CH2-CG1 4.01Å; W136-I230 HydrophobicContact CZ3-CD1 3.91Å; W136-I230 HydrophobicContact CZ3-CG1 4.28Å; L138-I230 HydrophobicContact CD1-CD1 3.58Å; L138-I230 HydrophobicContact CD2-CD1 4.48Å; L138-I230 HydrophobicContact CG-CD1 4.46Å; F148-I230 HydrophobicContact CB-CD1 4.17Å; F148-I230 HydrophobicContact CD1-CB 4.13Å; F148-I230 HydrophobicContact CD1-CD1 3.9Å; F148-I230 HydrophobicContact CD2-CD1 3.26Å; F148-I230 HydrophobicContact CE1-CB 4.22Å; F148-I230 HydrophobicContact CE1-CD1 4.05Å; F148-I230 HydrophobicContact CE2-CD1 3.47Å; F148-I230 VanDerWaalsContact CE2-CD1 3.47Å; F148-I230 HydrophobicContact CG-CB 4.48Å; F148-I230 HydrophobicContact CG-CD1 3.49Å; F148-I230 VanDerWaalsContact CG-CD1 3.49Å; F148-I230 HydrophobicContact CZ-CD1 3.85Å; T201-I230 HydrophobicContact CG2-CG2 4.34Å; N202-I230 PolarHBondContact N-O 2.84Å; I228-I230 HydrophobicContact CG2-CD1 4.38Å
231P88Confident82.7Confident87 Ų8785.6 Ų85.657%0.56545%0.445SS*.  trans-65.9138.3178.727.7-33.7000109.9
232S82.1Confident82.2Confident47 Ų4785.8 Ų85.833%0.32945%0.446SS..  trans-73.8131.5178.776.80000109.8T201 V234T201-S232 WeakPolarHBondContact OG1-CB 3.4Å; S232-V234 PolarHBondContact O-N 2.87Å
233K71.5Confident81.8Confident193 Ų19388 Ų8884%0.83946%0.46SS*.  trans-8710.7175.3-68.1-175.9-178.3175.60112.4S235K233-S235 VanDerWaalsContact C-N 3.34Å; K233-S235 PolarHBondContact O-N 2.8Å
234V64.9Low81.4Confident71 Ų7192.2 Ų92.243%0.4348%0.481SS..  trans-66.4100.9-179.6-155.70000106.8T144 G145 S232 R236T144-V234 WeakPolarHBondContact O-CG2 3.47Å; G145-V234 WeakPolarHBondContact O-CG2 3.1Å; S232-V234 PolarHBondContact O-N 2.87Å; V234-R236 PolarHBondContact O-N 2.8Å
235S56.5Low81.3Confident95 Ų9591.9 Ų91.966%0.66447%0.473SS*.  trans-51.4102.6153.4160.70000104K233 F237K233-S235 VanDerWaalsContact C-N 3.34Å; K233-S235 PolarHBondContact O-N 2.8Å; S235-F237 PolarHBondContact O-N 2.77Å
236R61Low81.2Confident231 Ų23191.7 Ų91.787%0.87248%0.478SS*.  trans-49.3103.4166.5-74.5179.5178.2154.3-0.4103.6V234 P238V234-R236 PolarHBondContact O-N 2.8Å; R236-P238 VanDerWaalsContact O-N 3.11Å
237F59.1Low81.1Confident142 Ų14292.5 Ų92.562%0.62349%0.488SS*.  trans-47.6130176.1-171.5-102.4000104.3S235 V239 L242S235-F237 PolarHBondContact O-N 2.77Å; F237-V239 HydrophobicContact CB-CG2 4.3Å; F237-V239 HydrophobicContact CD1-CG2 3.73Å; F237-V239 PolarHBondContact O-N 3.22Å; F237-L242 HydrophobicContact CD1-CD1 4.1Å; F237-L242 HydrophobicContact CE1-CD1 3.28Å; F237-L242 HydrophobicContact CZ-CD1 3.96Å
238P71Confident81.1Confident69 Ų6991.9 Ų91.945%0.44849%0.49SS..  trans-76.556.9-168.134.2-38000108.7R236 M240 A241 L242R236-P238 VanDerWaalsContact O-N 3.11Å; P238-M240 PolarHBondContact O-N 3.03Å; P238-A241 HydrophobicContact CB-CB 3.74Å; P238-A241 CarbonylContact O-C 3.59Å; P238-A241 VanDerWaalsContact O-CA 3.32Å; P238-A241 WeakPolarHBondContact O-CA 3.43Å; P238-A241 WeakPolarHBondContact O-CB 3.48Å; P238-A241 PolarHBondContact O-N 2.85Å; P238-L242 PolarHBondContact O-N 3.01Å
239V71.7Confident81.1Confident76 Ų7699 Ų9946%0.46152%0.521SS..Hα-helixtrans-51.4-40.9171.7179.70000108.2F237 A241 L242 L243F237-V239 HydrophobicContact CB-CG2 4.3Å; F237-V239 HydrophobicContact CD1-CG2 3.73Å; F237-V239 PolarHBondContact O-N 3.22Å; V239-A241 VanDerWaalsContact C-N 3.35Å; V239-A241 PolarHBondContact O-N 2.86Å; V239-L242 PolarHBondContact O-N 2.84Å; V239-L243 HydrophobicContact CG1-CD1 4.13Å; V239-L243 HydrophobicContact CG1-CG 4.3Å; V239-L243 WeakPolarHBondContact O-CB 3.14Å; V239-L243 WeakPolarHBondContact O-CG 3.17Å; V239-L243 PolarHBondContact O-N 3.38Å
240M74.9Confident81.1Confident133 Ų133100.4 Ų100.466%0.65553%0.531SS*.Hα-helixtrans-60.2-41.9172.2-67.1-54.4-6300112.5P238 L243 I244P238-M240 PolarHBondContact O-N 3.03Å; M240-L243 PolarHBondContact O-N 3.14Å; M240-L243 HydrophobicContact SD-CD1 4.2Å; M240-I244 WeakPolarHBondContact O-CB 3.25Å; M240-I244 WeakPolarHBondContact O-CD1 3.31Å; M240-I244 WeakPolarHBondContact O-CG1 3.37Å; M240-I244 PolarHBondContact O-N 3.01Å
241A80.9Confident81.2Confident34 Ų34103.3 Ų103.328%0.28155%0.549SS..Hα-helixtrans-67.6-40.3174.400000111.7P238 V239 L243 I244 F245P238-A241 HydrophobicContact CB-CB 3.74Å; P238-A241 CarbonylContact O-C 3.59Å; P238-A241 VanDerWaalsContact O-CA 3.32Å; P238-A241 WeakPolarHBondContact O-CA 3.43Å; P238-A241 WeakPolarHBondContact O-CB 3.48Å; P238-A241 PolarHBondContact O-N 2.85Å; V239-A241 VanDerWaalsContact C-N 3.35Å; V239-A241 PolarHBondContact O-N 2.86Å; A241-L243 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 3.45Å; A241-I244 CarbonylContact O-C 3.47Å; A241-I244 PolarHBondContact O-N 3.47Å; A241-F245 HydrophobicContact CB-CD2 4.42Å; A241-F245 WeakPolarHBondContact O-CB 3.47Å; A241-F245 WeakPolarHBondContact O-CD2 3.45Å; A241-F245 PolarHBondContact O-N 3.06Å
242L85.6Confident81.5Confident95 Ų95101.3 Ų101.350%0.49754%0.54SS..Hα-helixtrans-64.3-36.8175.4-73.9171.2000112.5F237 P238 V239 G246F237-L242 HydrophobicContact CD1-CD1 4.1Å; F237-L242 HydrophobicContact CE1-CD1 3.28Å; F237-L242 HydrophobicContact CZ-CD1 3.96Å; P238-L242 PolarHBondContact O-N 3.01Å; V239-L242 PolarHBondContact O-N 2.84Å; L242-G246 PolarHBondContact O-N 2.97Å
243L87.6Confident82.1Confident109 Ų109102 Ų10257%0.57154%0.542SS*.Hα-helixtrans-66.1-40.4172.4-70.8173.9000110.9V239 M240 A241 A247V239-L243 HydrophobicContact CG1-CD1 4.13Å; V239-L243 HydrophobicContact CG1-CG 4.3Å; V239-L243 WeakPolarHBondContact O-CB 3.14Å; V239-L243 WeakPolarHBondContact O-CG 3.17Å; V239-L243 PolarHBondContact O-N 3.38Å; M240-L243 PolarHBondContact O-N 3.14Å; M240-L243 HydrophobicContact SD-CD1 4.2Å; A241-L243 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 3.45Å; L243-A247 VanDerWaalsContact O-CB 3.3Å; L243-A247 WeakPolarHBondContact O-CB 3.49Å; L243-A247 PolarHBondContact O-N 2.01Å
244I89.9Confident83Confident98 Ų9897.4 Ų97.450%0.50353%0.526SS..Hα-helixtrans-65-48.2174.5-67.6161000110.8M240 A241 G246 A247 L248M240-I244 WeakPolarHBondContact O-CB 3.25Å; M240-I244 WeakPolarHBondContact O-CD1 3.31Å; M240-I244 WeakPolarHBondContact O-CG1 3.37Å; M240-I244 PolarHBondContact O-N 3.01Å; A241-I244 CarbonylContact O-C 3.47Å; A241-I244 PolarHBondContact O-N 3.47Å; I244-G246 PolarHBondContact O-N 3.23Å; I244-A247 PolarHBondContact O-N 3.07Å; I244-L248 HydrophobicContact CG2-CD1 3.93Å; I244-L248 HydrophobicContact CG2-CG 4.4Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 VanDerWaalsContact O-CG 3.28Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 3.12Å
245F91.7Very high84.2Confident145 Ų14598.5 Ų98.564%0.63653%0.529SS*.Hα-helixtrans-62.8-40.7176.9-84.9-71000111.8A241 L248 F249A241-F245 HydrophobicContact CB-CD2 4.42Å; A241-F245 WeakPolarHBondContact O-CB 3.47Å; A241-F245 WeakPolarHBondContact O-CD2 3.45Å; A241-F245 PolarHBondContact O-N 3.06Å; F245-L248 PolarHBondContact O-N 3.35Å; F245-F249 VanDerWaalsContact O-CB 3.29Å; F245-F249 WeakPolarHBondContact O-CB 3.27Å; F245-F249 PolarHBondContact O-N 2.9Å
246G94.4Very high85.7Confident41 Ų4199.4 Ų99.442%0.42353%0.526SS..Hα-helixtrans-63.6-42.6174.900000112.6L242 I244 F249 L250L242-G246 PolarHBondContact O-N 2.97Å; I244-G246 PolarHBondContact O-N 3.23Å; G246-F249 PolarHBondContact O-N 2.9Å; G246-L250 WeakPolarHBondContact O-CB 3.41Å; G246-L250 PolarHBondContact O-N 3.02Å
247A94.3Very high86.9Confident54 Ų5491.9 Ų91.945%0.44651%0.505SS..Hα-helixtrans-66.3-44.1175.500000112.1L243 I244 F249 L250 V251L243-A247 VanDerWaalsContact O-CB 3.3Å; L243-A247 WeakPolarHBondContact O-CB 3.49Å; L243-A247 PolarHBondContact O-N 2.01Å; I244-A247 PolarHBondContact O-N 3.07Å; A247-F249 VanDerWaalsContact C-N 3.32Å; A247-F249 PolarHBondContact O-N 2.63Å; A247-L250 WeakPolarHBondContact O-CB 3.36Å; A247-L250 PolarHBondContact O-N 3.02Å; A247-V251 WeakPolarHBondContact O-CG2 3.14Å; A247-V251 PolarHBondContact O-N 3.16Å
248L95.5Very high88.1Confident108 Ų10889.7 Ų89.757%0.56550%0.499SS*.Hα-helixtrans-62-40.6176-72.9172.5000111.7I244 F245 V251 A252I244-L248 HydrophobicContact CG2-CD1 3.93Å; I244-L248 HydrophobicContact CG2-CG 4.4Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 VanDerWaalsContact O-CG 3.28Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 3.12Å; F245-L248 PolarHBondContact O-N 3.35Å; L248-V251 PolarHBondContact O-N 3.11Å; L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 2.88Å
249F94.6Very high88.6Confident152 Ų15291.6 Ų91.667%0.66751%0.505SS*.Hα-helixtrans-64.1-42.9175.3-173.7-99.5000111.7F245 G246 A247 V251 A252 V253F245-F249 VanDerWaalsContact O-CB 3.29Å; F245-F249 WeakPolarHBondContact O-CB 3.27Å; F245-F249 PolarHBondContact O-N 2.9Å; G246-F249 PolarHBondContact O-N 2.9Å; A247-F249 VanDerWaalsContact C-N 3.32Å; A247-F249 PolarHBondContact O-N 2.63Å; F249-V251 PolarHBondContact O-N 3.46Å; F249-A252 PolarHBondContact O-N 2.04Å; F249-V253 HydrophobicContact CD1-CG2 4.19Å; F249-V253 HydrophobicContact CE1-CG2 3.86Å; F249-V253 HydrophobicContact CZ-CG2 4.11Å; F249-V253 WeakPolarHBondContact O-CG2 3.37Å; F249-V253 PolarHBondContact O-N 3.22Å
250L95.2Very high88.8Confident112 Ų11291.3 Ų91.359%0.58651%0.506SS*.Hα-helixtrans-60.3-44.9175.1-16689.2000111.5G246 A247 V253 L254G246-L250 WeakPolarHBondContact O-CB 3.41Å; G246-L250 PolarHBondContact O-N 3.02Å; A247-L250 WeakPolarHBondContact O-CB 3.36Å; A247-L250 PolarHBondContact O-N 3.02Å; L250-V253 PolarHBondContact O-N 2.8Å; L250-L254 HydrophobicContact CD2-CD1 4.42Å; L250-L254 HydrophobicContact CG-CD1 4.41Å; L250-L254 VanDerWaalsContact O-CG 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.38Å; L250-L254 PolarHBondContact O-N 3.19Å
251V95.2Very high88.6Confident77 Ų7790 Ų9047%0.46750%0.498SS..Hα-helixtrans-62.2-43.2176.5172.50000111A247 L248 F249 V253 L254 L255A247-V251 WeakPolarHBondContact O-CG2 3.14Å; A247-V251 PolarHBondContact O-N 3.16Å; L248-V251 PolarHBondContact O-N 3.11Å; F249-V251 PolarHBondContact O-N 3.46Å; V251-V253 PolarHBondContact O-N 2.87Å; V251-L254 PolarHBondContact O-N 3.21Å; V251-L255 HydrophobicContact CG1-CD1 4.03Å; V251-L255 HydrophobicContact CG1-CG 4.41Å; V251-L255 WeakPolarHBondContact O-CB 3.4Å; V251-L255 VanDerWaalsContact O-CG 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.29Å; V251-L255 PolarHBondContact O-N 2.88Å
252A94.3Very high87.7Confident45 Ų4593.5 Ų93.537%0.37251%0.509SS..Hα-helixtrans-62.2-41.4176.800000112.3L248 F249 L255 L256L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 2.88Å; F249-A252 PolarHBondContact O-N 2.04Å; A252-L255 PolarHBondContact O-N 3.09Å; A252-L256 PolarHBondContact O-N 3.45Å
253V93.8Very high86.5Confident62 Ų6295.8 Ų95.838%0.37652%0.517SS..Hα-helixtrans-64.3-43.8174.9172.80000111F249 L250 V251 L255 L256 V257F249-V253 HydrophobicContact CD1-CG2 4.19Å; F249-V253 HydrophobicContact CE1-CG2 3.86Å; F249-V253 HydrophobicContact CZ-CG2 4.11Å; F249-V253 WeakPolarHBondContact O-CG2 3.37Å; F249-V253 PolarHBondContact O-N 3.22Å; L250-V253 PolarHBondContact O-N 2.8Å; V251-V253 PolarHBondContact O-N 2.87Å; V253-L255 VanDerWaalsContact C-N 3.33Å; V253-L255 PolarHBondContact O-N 2.65Å; V253-L256 PolarHBondContact O-N 2.5Å; V253-V257 WeakPolarHBondContact O-CG2 3.22Å; V253-V257 PolarHBondContact O-N 3.49Å
254L91.5Very high85.2Confident96 Ų9697.7 Ų97.750%0.50352%0.52SS..Hα-helixtrans-61.3-41.5175.7-71.5169.5000111.7L250 V251 V257 I258L250-L254 HydrophobicContact CD2-CD1 4.42Å; L250-L254 HydrophobicContact CG-CD1 4.41Å; L250-L254 VanDerWaalsContact O-CG 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.38Å; L250-L254 PolarHBondContact O-N 3.19Å; V251-L254 PolarHBondContact O-N 3.21Å; L254-V257 PolarHBondContact O-N 3.01Å; L254-I258 VanDerWaalsContact O-CG1 3.25Å; L254-I258 WeakPolarHBondContact O-CG1 3.42Å; L254-I258 PolarHBondContact O-N 2.9Å
255L88.9Confident83.6Confident94 Ų9496.5 Ų96.549%0.49251%0.514SS..Hα-helixtrans-64-42.3174.9-71.7171.5000112.1V251 A252 V253 V257 I258 I259V251-L255 HydrophobicContact CG1-CD1 4.03Å; V251-L255 HydrophobicContact CG1-CG 4.41Å; V251-L255 WeakPolarHBondContact O-CB 3.4Å; V251-L255 VanDerWaalsContact O-CG 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.29Å; V251-L255 PolarHBondContact O-N 2.88Å; A252-L255 PolarHBondContact O-N 3.09Å; V253-L255 VanDerWaalsContact C-N 3.33Å; V253-L255 PolarHBondContact O-N 2.65Å; L255-V257 VanDerWaalsContact C-N 3.35Å; L255-V257 PolarHBondContact O-N 3.01Å; L255-I258 PolarHBondContact O-N 3.05Å; L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.4Å; L255-I259 PolarHBondContact O-N 3.44Å
256L87.8Confident81.8Confident115 Ų11595.3 Ų95.360%0.60251%0.513SS*.Hα-helixtrans-62.9-39174.2-83.9161.2000112.4A252 V253 I259 S260A252-L256 PolarHBondContact O-N 3.45Å; V253-L256 PolarHBondContact O-N 2.5Å; L256-I259 PolarHBondContact O-N 2.92Å; L256-S260 WeakPolarHBondContact O-CB 3.3Å; L256-S260 PolarHBondContact O-N 3.17Å; L256-S260 PolarHBondContact O-OG 2.87Å
257V87.1Confident80Confident73 Ų73101.4 Ų101.444%0.44253%0.528SS..Hα-helixtrans-64-42.8173.5171.60000110.4V253 L254 L255 S260 Q261V253-V257 WeakPolarHBondContact O-CG2 3.22Å; V253-V257 PolarHBondContact O-N 3.49Å; L254-V257 PolarHBondContact O-N 3.01Å; L255-V257 VanDerWaalsContact C-N 3.35Å; L255-V257 PolarHBondContact O-N 3.01Å; V257-S260 WeakPolarHBondContact CA-OG 3.19Å; V257-S260 PolarHBondContact O-OG 3.31Å; V257-Q261 HydrophobicContact CG1-CG 4.35Å; V257-Q261 VanDerWaalsContact O-CB 3.27Å; V257-Q261 WeakPolarHBondContact O-CB 3.08Å; V257-Q261 WeakPolarHBondContact O-CG 3.25Å; V257-Q261 PolarHBondContact O-N 3.02Å
258I84.3Confident78.3Confident95 Ų95105.4 Ų105.449%0.48754%0.54SS..Hα-helixtrans-63.8-45.7176.6-67.1163.2000110.8L254 L255 Q261 Q262L254-I258 VanDerWaalsContact O-CG1 3.25Å; L254-I258 WeakPolarHBondContact O-CG1 3.42Å; L254-I258 PolarHBondContact O-N 2.9Å; L255-I258 PolarHBondContact O-N 3.05Å; I258-Q261 CarbonylContact O-C 3.43Å; I258-Q261 PolarHBondContact O-N 3.46Å; I258-Q262 WeakPolarHBondContact O-CG 3.42Å; I258-Q262 PolarHBondContact O-N 2.86Å
259I81.9Confident76.4Confident110 Ų110106.5 Ų106.556%0.56455%0.546SS*.Hα-helixtrans-66.8-41.8180-66.3164.8000111.7L255 L256 Q261 Q262 E263L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.4Å; L255-I259 PolarHBondContact O-N 3.44Å; L256-I259 PolarHBondContact O-N 2.92Å; I259-Q261 VanDerWaalsContact C-N 3.3Å; I259-Q261 PolarHBondContact O-N 3.48Å; I259-Q262 WeakPolarHBondContact O-CB 3.04Å; I259-Q262 PolarHBondContact O-N 2.9Å; I259-Q262 VanDerWaalsContact O-N 3.07Å; I259-E263 PolarHBondContact O-N 3.16Å
260S75.4Confident74.5Confident69 Ų69104.6 Ų104.648%0.48354%0.542SS..Hα-helixtrans-67.1-32.617559.30000112.4L256 V257 E263 K264L256-S260 WeakPolarHBondContact O-CB 3.3Å; L256-S260 PolarHBondContact O-N 3.17Å; L256-S260 PolarHBondContact O-OG 2.87Å; V257-S260 WeakPolarHBondContact CA-OG 3.19Å; V257-S260 PolarHBondContact O-OG 3.31Å; S260-E263 PolarHBondContact O-N 3.09Å; S260-K264 PolarHBondContact O-N 3Å
261Q69.7Low72.2Confident105 Ų105104 Ų10449%0.49155%0.545SS..Hα-helixtrans-69.2-32.3169.1-69.7-85.629.600111.6V257 I258 I259 E263 K264 L265V257-Q261 HydrophobicContact CG1-CG 4.35Å; V257-Q261 VanDerWaalsContact O-CB 3.27Å; V257-Q261 WeakPolarHBondContact O-CB 3.08Å; V257-Q261 WeakPolarHBondContact O-CG 3.25Å; V257-Q261 PolarHBondContact O-N 3.02Å; I258-Q261 CarbonylContact O-C 3.43Å; I258-Q261 PolarHBondContact O-N 3.46Å; I259-Q261 VanDerWaalsContact C-N 3.3Å; I259-Q261 PolarHBondContact O-N 3.48Å; Q261-E263 VanDerWaalsContact C-N 3.31Å; Q261-E263 PolarHBondContact O-N 3.3Å; Q261-K264 CarbonylContact O-C 3.59Å; Q261-K264 WeakPolarHBondContact O-CA 3.35Å; Q261-K264 PolarHBondContact O-N 3.33Å; Q261-K264 VanDerWaalsContact O-N 3.09Å; Q261-L265 VanDerWaalsContact O-CB 3.32Å; Q261-L265 WeakPolarHBondContact O-CB 3.25Å; Q261-L265 PolarHBondContact O-N 3.17Å
262Q62.2Low70.1Confident109 Ų109105.8 Ų105.851%0.50956%0.558SS.*Hα-helixtrans-62.2-33.6172.9-69.6-72.8-21.100112.2I258 I259 K264 L265 M266I258-Q262 WeakPolarHBondContact O-CG 3.42Å; I258-Q262 PolarHBondContact O-N 2.86Å; I259-Q262 WeakPolarHBondContact O-CB 3.04Å; I259-Q262 PolarHBondContact O-N 2.9Å; I259-Q262 VanDerWaalsContact O-N 3.07Å; Q262-K264 VanDerWaalsContact C-N 3.33Å; Q262-L265 CarbonylContact O-C 3.56Å; Q262-L265 PolarHBondContact O-N 3.42Å; Q262-M266 VanDerWaalsContact O-CB 3.23Å; Q262-M266 WeakPolarHBondContact O-CB 3.05Å; Q262-M266 PolarHBondContact O-N 3.22Å
263E61Low67.9Low142 Ų142109.1 Ų109.166%0.66457%0.574SS**Hα-helixtrans-66.2-36.9171.5-67.6-145.4166.300112.1I259 S260 Q261 F267I259-E263 PolarHBondContact O-N 3.16Å; S260-E263 PolarHBondContact O-N 3.09Å; Q261-E263 VanDerWaalsContact C-N 3.31Å; Q261-E263 PolarHBondContact O-N 3.3Å; E263-F267 PolarHBondContact O-N 2.74Å
264K59.6Low65.6Low149 Ų149111.6 Ų111.665%0.64859%0.591SS**Hα-helixtrans-72.9-30.1171.3-70.5-160.3176.1-177.80113.2S260 Q261 Q262 F267 I268S260-K264 PolarHBondContact O-N 3Å; Q261-K264 CarbonylContact O-C 3.59Å; Q261-K264 WeakPolarHBondContact O-CA 3.35Å; Q261-K264 PolarHBondContact O-N 3.33Å; Q261-K264 VanDerWaalsContact O-N 3.09Å; Q262-K264 VanDerWaalsContact C-N 3.33Å; K264-F267 WeakPolarHBondContact O-CB 3.48Å; K264-F267 PolarHBondContact O-N 2.73Å; K264-I268 PolarHBondContact O-N 3.18Å
265L56.5Low63.5Low73 Ų73109.8 Ų109.838%0.38260%0.595SS.*Hα-helixtrans-78.3-30.9177.6-135.4115.8000111.3Q261 Q262 F267 I268 L269Q261-L265 VanDerWaalsContact O-CB 3.32Å; Q261-L265 WeakPolarHBondContact O-CB 3.25Å; Q261-L265 PolarHBondContact O-N 3.17Å; Q262-L265 CarbonylContact O-C 3.56Å; Q262-L265 PolarHBondContact O-N 3.42Å; L265-F267 PolarHBondContact O-N 3.17Å; L265-I268 PolarHBondContact O-N 3.08Å; L265-L269 HydrophobicContact CD2-CD1 3.55Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 PolarHBondContact O-N 2.56Å
266M55.4Low61.6Low121 Ų121110.5 Ų110.560%0.59661%0.605SS**Hα-helixtrans-61.4-31.9169.8-176.316768.300110.8Q262 L270Q262-M266 VanDerWaalsContact O-CB 3.23Å; Q262-M266 WeakPolarHBondContact O-CB 3.05Å; Q262-M266 PolarHBondContact O-N 3.22Å; M266-L270 PolarHBondContact O-N 3.04Å
267F55.7Low59.7Low169 Ų169114.9 Ų114.974%0.74162%0.62SS**Hα-helixtrans-77.5-20.2174.3-152.4-92.5000113.9E263 K264 L265E263-F267 PolarHBondContact O-N 2.74Å; K264-F267 WeakPolarHBondContact O-CB 3.48Å; K264-F267 PolarHBondContact O-N 2.73Å; L265-F267 PolarHBondContact O-N 3.17Å
268I59Low58.1Low138 Ų138117.5 Ų117.571%0.70863%0.63SS**Hα-helixtrans-98.3-33.1-178.6-73.8169.2000112.1K264 L265K264-I268 PolarHBondContact O-N 3.18Å; L265-I268 PolarHBondContact O-N 3.08Å
269L55.5Low56.4Low130 Ų130124.9 Ų124.968%0.68165%0.651SS**Hα-helixtrans-97.1-17.9-172.5-129.4140.1000113.7L265L265-L269 HydrophobicContact CD2-CD1 3.55Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 PolarHBondContact O-N 2.56Å
270L55Low55Low112 Ų112123.1 Ų123.159%0.58666%0.66SS**SBendtrans-118.5107.8165.7-76152.1000107.8M266M266-L270 PolarHBondContact O-N 3.04Å
271P45.6Very low54.2Low100 Ų100124.4 Ų124.465%0.64966%0.661SS**  trans-55.6147.7165.325.5-32.7000108.2V273P271-V273 PolarHBondContact O-N 3.02Å
272P52Low53.5Low114 Ų114124 Ų12474%0.7466%0.662SS**  trans-54.6108.7174.922.6-31.9000108.1P274P272-P274 VanDerWaalsContact O-CD 3.31Å; P272-P274 WeakPolarHBondContact O-CD 3.09Å; P272-P274 VanDerWaalsContact O-N 3.12Å
273V49Very low53.4Low116 Ų116123 Ų12370%0.70367%0.666SS**PPolyproline II helixtrans-59.7120.7179.4177.40000106.3P271 G275P271-V273 PolarHBondContact O-N 3.02Å; V273-G275 PolarHBondContact O-N 2.88Å
274P45.5Very low53.3Low114 Ų114122 Ų12274%0.7466%0.664SS**PPolyproline II helixtrans-55.7117176.4-20.730.8000107.8P272P272-P274 VanDerWaalsContact O-CD 3.31Å; P272-P274 WeakPolarHBondContact O-CD 3.09Å; P272-P274 VanDerWaalsContact O-N 3.12Å
275G47.2Very low53.1Low57 Ų57120.7 Ų120.759%0.58866%0.664SS**PPolyproline II helixtrans-51.2137.2179.200000109.9V273 K277V273-G275 PolarHBondContact O-N 2.88Å; G275-K277 PolarHBondContact O-N 2.94Å
276P47.6Very low53.1Low109 Ų109122.2 Ų122.271%0.70867%0.672SS**  trans-60.5112.6176.524-31000107.9I278P276-I278 HydrophobicContact CB-CG1 4.06Å; P276-I278 HydrophobicContact CG-CG1 4.42Å; P276-I278 PolarHBondContact O-N 3.36Å
277K48.8Very low53.1Low207 Ų207125.6 Ų125.690%0.968%0.683SS**  trans-70.373.1166.4-79.1-179.4176.6172.60108.1G275 R279G275-K277 PolarHBondContact O-N 2.94Å; K277-R279 VanDerWaalsContact C-N 3.31Å; K277-R279 PolarHBondContact O-N 2.89Å
278I52.7Low53.2Low128 Ų128126.4 Ų126.466%0.65669%0.687SS**  trans-7395.6163.9-19.4175.3000105.6P276 G280P276-I278 HydrophobicContact CB-CG1 4.06Å; P276-I278 HydrophobicContact CG-CG1 4.42Å; P276-I278 PolarHBondContact O-N 3.36Å; I278-G280 PolarHBondContact O-N 3.48Å; I278-G280 VanDerWaalsContact O-N 3.09Å
279R49.6Very low53.1Low250 Ų250123 Ų12394%0.94369%0.685SS**THydrogen-bonded Turntrans-60.5109.1165.4-94.2-178.5166.6172.9-3.9107K277K277-R279 VanDerWaalsContact C-N 3.31Å; K277-R279 PolarHBondContact O-N 2.89Å
280G51Low53.2Low73 Ų73122.7 Ų122.775%0.75368%0.678SS**THydrogen-bonded Turntrans155.5-21.7167.500000117I278I278-G280 PolarHBondContact O-N 3.48Å; I278-G280 VanDerWaalsContact O-N 3.09Å
281I59.7Low53.3Low97 Ų97123.3 Ų123.350%0.49768%0.681SS.*  trans-124117.6179.3-67.296.2000110P283 L286I281-P283 WeakPolarHBondContact O-CD 3.27Å; I281-L286 HydrophobicContact CG2-CD1 3.9Å; I281-L286 HydrophobicContact CG2-CG 4.45Å
282D55.9Low53.7Low95 Ų95127.3 Ų127.351%0.50868%0.683SS.*  trans-71118.1-178.9-156.3-13.3000110N284 L285D282-N284 PolarHBondContact O-N 3.33Å; D282-L285 HydrophobicContact CB-CD1 4.37Å; D282-L285 PolarHBondContact O-N 3.39Å
283P59.4Low53.8Low90 Ų90128.2 Ų128.258%0.58468%0.678SS**Hα-helixtrans-64.4-13.3-173.423.5-33.5000113.9I281 L285I281-P283 WeakPolarHBondContact O-CD 3.27Å; P283-L285 VanDerWaalsContact C-N 3.34Å
284N58.3Low54Low119 Ų119126.2 Ų126.264%0.63666%0.663SS**Hα-helixtrans-76.4-17175-67.5-45.8000113.8D282D282-N284 PolarHBondContact O-N 3.33Å
285L55.3Low54.4Low123 Ų123125.6 Ų125.664%0.64466%0.657SS**Hα-helixtrans-85.6-29.9176.9-71.1172.8000112.9D282 P283D282-L285 HydrophobicContact CB-CD1 4.37Å; D282-L285 PolarHBondContact O-N 3.39Å; P283-L285 VanDerWaalsContact C-N 3.34Å
286L56.5Low54.5Low104 Ų104127.2 Ų127.255%0.54566%0.659SS.*Hα-helixtrans-72.6-32174.3-79.3161000112.3I281 K288 L294I281-L286 HydrophobicContact CG2-CD1 3.9Å; I281-L286 HydrophobicContact CG2-CG 4.45Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 3.15Å; L286-L294 HydrophobicContact CD2-CD1 4.16Å
287K56.4Low54.8Low192 Ų192128.5 Ų128.584%0.83566%0.659SS**THydrogen-bonded Turntrans-76.7-9.2179.4-135.2176.8-175.3-179.30114.1
288K56.3Low54.8Low187 Ų187126.2 Ų126.281%0.81366%0.656SS**THydrogen-bonded Turntrans-112.814.1-176.4-110.9-179.5-179.3179.80115.2L286L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 3.15Å
289G58.8Low54.3Low65 Ų65125.6 Ų125.667%0.6766%0.658SS**THydrogen-bonded Turntrans63.848.816300000115.1
290K56.4Low53.7Low125 Ų125116.2 Ų116.254%0.54364%0.639SS.*  trans-125.664.7173.9-144.9176.8-173.5-174.40110.7R292K290-R292 VanDerWaalsContact CE-NH2 3.32Å; K290-R292 HydrophobicContact CG-CG 4.47Å; K290-R292 PolarHBondContact O-N 2.86Å
291L56.7Low53.1Low124 Ų124118.8 Ų118.865%0.64964%0.643SS**G310 helixtrans-72.4-1.4-175.7-82158.1000115.3E293 L294L291-E293 VanDerWaalsContact C-N 3.29Å; L291-E293 PolarHBondContact O-N 2.77Å; L291-L294 HydrophobicContact CD2-CD1 4.24Å
292R54.3Low52.3Low184 Ų184120.3 Ų120.369%0.69466%0.659SS**G310 helixtrans-78.8-2.2-174.168-174-175.5-159.95.9115.8K290K290-R292 VanDerWaalsContact CE-NH2 3.32Å; K290-R292 HydrophobicContact CG-CG 4.47Å; K290-R292 PolarHBondContact O-N 2.86Å
293E55Low51.4Low133 Ų133123 Ų12362%0.62167%0.673SS**G310 helixtrans-109.2-1.8177.7-82.4171.4-171.200113.4L291 S296L291-E293 VanDerWaalsContact C-N 3.29Å; L291-E293 PolarHBondContact O-N 2.77Å; E293-S296 PolarHBondContact O-OG 3.24Å
294L53.8Low50.3Low74 Ų74125.9 Ų125.939%0.38768%0.683SS.*SBendtrans-92.3-14174.7-70.1175.4000113.3L286 L291 S296L286-L294 HydrophobicContact CD2-CD1 4.16Å; L291-L294 HydrophobicContact CD2-CD1 4.24Å; L294-S296 VanDerWaalsContact C-N 3.27Å; L294-S296 PolarHBondContact O-N 2.88Å
295T52.1Low49.4Very low101 Ų101129.9 Ų129.962%0.6269%0.689SS**THydrogen-bonded Turntrans-74.1-12.5174.731.90000113.8T299T295-T299 PolarHBondContact O-OG1 2.83Å
296S50.7Low48.4Very low91 Ų91130.2 Ų130.264%0.63670%0.698SS**THydrogen-bonded Turntrans-86.3-3.917960.90000114.6E293 L294E293-S296 PolarHBondContact O-OG 3.24Å; L294-S296 VanDerWaalsContact C-N 3.27Å; L294-S296 PolarHBondContact O-N 2.88Å
297I52.9Low47.3Very low137 Ų137131 Ų13170%0.70370%0.7SS**SBendtrans-110.3-15.6-177.9-56177.9000112.7
298L50Low46.4Very low159 Ų159128.8 Ų128.883%0.83270%0.696SS**SBendtrans-94.74.6174.7-87.1101.4000114.8G300L298-G300 PolarHBondContact O-N 2.91Å
299T41Very low45.5Very low115 Ų115129.8 Ų129.871%0.70670%0.696SS**  trans-91.8102.7174.6-51.20000108.9T295T295-T299 PolarHBondContact O-OG1 2.83Å
300G38Very low44.4Very low53 Ų53132.8 Ų132.855%0.54670%0.697SS.*  trans-58.5161.7163.900000111.6L298L298-G300 PolarHBondContact O-N 2.91Å
301P38.7Very low43.5Very low127 Ų127133.4 Ų133.483%0.82571%0.706SS**  trans-65.3149.8-165.4-9.523.1000112.4D303P301-D303 PolarHBondContact O-N 2.83Å
302P42.7Very low42.7Very low129 Ų129134.6 Ų134.684%0.83871%0.713SS**  trans-81.6113.6179.533.1-27.6000108.6
303D35.5Very low42.4Very low151 Ų151129.7 Ų129.781%0.80771%0.705SS**  trans-144.4133.4153.1-145.3-3.2000111.6P301P301-D303 PolarHBondContact O-N 2.83Å
304L37.4Very low41.6Very low150 Ų150133.7 Ų133.779%0.78571%0.714SS**  trans80.890.5176-52.5174.6000118.1
305R38.6Very low41Very low204 Ų204135.3 Ų135.377%0.7773%0.727SS**  trans-45.1145.6148.4-81.3-179.1166.8172.13.9111.5E307R305-E307 IonicContact CZ-OE1 3.84Å; R305-E307 IonicContact NE-OE1 2.93Å; R305-E307 IonicContact NH1-OE1 3.47Å; R305-E307 PolarHBondContact NH1-OE1 3.43Å
306P35.4Very low40.7Very low129 Ų129138.7 Ų138.784%0.83874%0.736SS**  -117.2115.7121.9-7.626.9000112.1
307E33.4Very low40.2Very low122 Ų122143.5 Ų143.557%0.5775%0.745SS**  trans-60.1143153.9-86.3170.5-170.900111.6R305R305-E307 IonicContact CZ-OE1 3.84Å; R305-E307 IonicContact NE-OE1 2.93Å; R305-E307 IonicContact NH1-OE1 3.47Å; R305-E307 PolarHBondContact NH1-OE1 3.43Å
308L36.8Very low40Very low144 Ų144145 Ų14575%0.75475%0.753SS**  137.7132.3123.9-84.6138.9000115.8
309Y37.8Very low39.4Very low209 Ų209144.4 Ų144.482%0.8275%0.751SS**  trans83.295.1174.2-92.2-95000116.9
310N34.4Very low39.7Very low128 Ų128147.2 Ų147.268%0.68476%0.76SS**  72.5118.463.4-90.3-40.3000116.8
311N38.8Very low39.6Very low138 Ų138152.7 Ų152.774%0.73878%0.778SS**  trans78.2102.1153.9-57.6-41000119.8
312D39.2Very low39.8Very low149 Ų149154 Ų15480%0.79778%0.776SS**  48.6165.3109.6-137.526.1000119
313P48.6Very low39.9Very low80 Ų80156.8 Ų156.852%0.51978%0.778SS.*  cis-126.1-167-2414.811.2000111.5
314W38.4Very low40.4Very low218 Ų218158.1 Ų158.183%0.82678%0.779SS**  trans96.798169.2-50.997.5000115.1
315V39.7Very low40.2Very low107 Ų107156.1 Ų156.165%0.64878%0.778SS**  74.8121.869.4173.70000110.3
316E45.8Very low39.9Very low172 Ų172153.1 Ų153.180%0.80478%0.777SS**  -177.413796.1-145.6151.5-141.400112.4
317F41.3Very low39.9Very low192 Ų192153.6 Ų153.684%0.84277%0.772SS**  trans-82.8145.6167.9-67.3-101.4000107.8
318I48.1Very low40.1Very low168 Ų168157.5 Ų157.586%0.86279%0.787SS**  trans-116.1103.9165-62.3174.5000107.6
319D38.5Very low39.9Very low148 Ų148157.7 Ų157.779%0.79179%0.789SS**  trans-73.2150.5161-76.2-45000110.1
320L47Very low39.9Very low173 Ų173155 Ų15591%0.90679%0.787SS**  trans-81.6135.9169.3-72159.5000109.1
321D35.6Very low39.8Very low169 Ų169155 Ų15590%0.90479%0.788SS**  trans-143.9145.7156.8-122.3-12.8000112.7
322I43.5Very low39.6Very low153 Ų153155.6 Ų155.679%0.78579%0.788SS**  trans-93.6150.1-174.3-72.9160.6000109.3
323E43.4Very low39.3Very low189 Ų189154.8 Ų154.888%0.88378%0.783SS**  trans142145.4130.6-128.1169.1-137.200115.8
324E47.1Very low38.5Very low179 Ų179156.8 Ų156.884%0.83679%0.794SS**  trans-89.1141.6-166.4177.1178.2-161.100112.4
325S33.8Very low38.4Very low108 Ų108149.5 Ų149.576%0.75579%0.787SS**  trans168.1132.413946.50000116.1
326N31.4Very low38.1Very low141 Ų141150.4 Ų150.475%0.75480%0.797SS**  trans74.8109.9143.7-76.7-2.6000124
327D36.3Very low37.4Very low139 Ų139150.6 Ų150.674%0.74380%0.802SS**  55.5107.3115.5-60.8-14.3000121.4
328K37Very low37.2Very low203 Ų203149.8 Ų149.888%0.88380%0.803SS**  173.5117.8109-104.4173.9173.9173.50113.6
329L32.1Very low36.2Very low149 Ų149147.9 Ų147.978%0.7880%0.795SS**  36.3135.4127.3-15094.6000121.7
330L38Very low35.8Very low151 Ų151148.9 Ų148.979%0.79179%0.794SS**  trans102.5139158.3-61.8161.9000114.7
331D32.5Very low35.2Very low130 Ų130146 Ų14670%0.69579%0.789SS**  cis-174.1153.8-19.3-168.715.9000105.5
332M34.3Very low35.7Very low149 Ų149143.7 Ų143.773%0.73478%0.783SS**  trans54.5110161.3-75.5-176.276.600123.8
333N33.4Very low35.2Very low132 Ų132144.3 Ų144.371%0.70679%0.785SS**  75.8116.8105.8-149.219000121.7
334T31.4Very low34.7Very low122 Ų122140.6 Ų140.675%0.74878%0.779SS**  153.1125.5106-66.10000111.4
335G36.1Very low34.9Very low66 Ų66136.4 Ų136.468%0.6877%0.768SS**  trans-92.5173-167.100000117.4
336C33.3Very low34.8Very low125 Ų125142.3 Ų142.385%0.84577%0.773SS**  trans-148.4109162.4-79.40000105.8
337L32.2Very low34.9Very low176 Ų176140.4 Ų140.492%0.92177%0.771SS**  76.6124.391.7-103.9171000114.1
338M35.7Very low34.8Very low175 Ų175138.3 Ų138.386%0.86277%0.773SS**  trans-69.8159.6-164.5-72.9-161.5158.400115
339D26.8Very low34.6Very low129 Ų129134.5 Ų134.569%0.6977%0.766SS**  trans-147.8143.4142-121.9154.3000118.4
340H30.3Very low34.6Very low169 Ų169135.4 Ų135.478%0.78277%0.765SS**  trans68128.1147.9-61.6-43.1000126.4
341S35.7Very low34.5Very low112 Ų112138.4 Ų138.478%0.78377%0.765SS**  trans-64.9-167.8153.4-34.60000112.3
342P46.2Very low34.8Very low120 Ų120138.8 Ų138.878%0.77977%0.767SS**  cis-147.2150.246.532.7-6.5000117.5
343M31.9Very low35Very low167 Ų167138.7 Ų138.782%0.82377%0.77SS**  71.9129.1101.1-160.873-164.900118.9P345M343-P345 HydrophobicContact CE-CB 4.09Å
344S32.8Very low35.4Very low110 Ų110138.9 Ų138.977%0.76977%0.771SS**  trans-144.6145.6155.4-152.30000110.8
345P52.1Low36.3Very low92 Ų92138.5 Ų138.560%0.59777%0.773SS**  trans-124.9174.2-165.440.3-25.1000117.4M343M343-P345 HydrophobicContact CE-CB 4.09Å
346R32.6Very low36.5Very low231 Ų231138.9 Ų138.987%0.87278%0.777SS**  trans90.7130.6159.4-59.7-178.3167.7-172.5-4.5117.4
347S31.9Very low36.8Very low101 Ų101144.8 Ų144.871%0.70678%0.782SS**  cis120.6115.33.269.60000112.7
348A34.1Very low36.9Very low95 Ų95142.2 Ų142.279%0.78578%0.778SS**  trans66.8148.8144.700000119.3
349V33.4Very low37.1Very low123 Ų123138.6 Ų138.675%0.74577%0.771SS**  cis177.8151.24.4134.20000106
350F31.4Very low37.7Very low169 Ų169137.9 Ų137.974%0.74177%0.774SS**  trans88.3125.2154.1-97.3-134000126.2
351R37.1Very low37.9Very low214 Ų214135.6 Ų135.681%0.80878%0.776SS**  81.9139.7123.9-95.4-167.3-169.8-157.70.1125.2
352D37.7Very low38Very low138 Ų138138.8 Ų138.874%0.73878%0.778SS**  trans-48148.6172.4-65-48.3000118.2
353N39.8Very low38.4Very low146 Ų146137.5 Ų137.578%0.78177%0.77SS**  165.6130.3112.4-96.2-65.1000113.8
354D41Very low38.4Very low137 Ų137137 Ų13773%0.73377%0.77SS**  65.9131.2123.4-132.4-6.9000124.6
355S49.5Very low38.9Very low114 Ų114139.6 Ų139.680%0.79778%0.775SS**  trans69.8130.1140.6-81.80000124.1
356G40.6Very low37.9Very low74 Ų74143.8 Ų143.876%0.76379%0.792SS**  trans160.777.4159.800000111.9
357R39.4Very low37.9Very low248 Ų248138 Ų13894%0.93679%0.787SS**  57.4137.292.3-100.4-173.5157.2-158.4-5.9117.2
358S34.4Very low37.8Very low122 Ų122142.3 Ų142.385%0.85380%0.796SS**  trans91.2133.5173.684.10000114.1
359S41.3Very low37.8Very low100 Ų100142.1 Ų142.170%0.69979%0.794SS**  cis-169.213516-172.40000110.5
360C38.6Very low37.6Very low113 Ų113142.4 Ų142.476%0.76480%0.801SS**  trans37.9138.6137.3-570000121
361C35.2Very low37.5Very low121 Ų121139.2 Ų139.282%0.81881%0.806SS**  cis-164.7139.21.9-88.90000107.6
362E37.1Very low37.2Very low180 Ų180133.9 Ų133.984%0.84180%0.801SS**  trans-68.5-174.5151.7-147.1108.3-175.200109.1
363P54.6Low37.4Very low93 Ų93133 Ų13360%0.60480%0.803SS**  cis-130.8176.7-21.116.69.8000112.5
364D32.5Very low36.9Very low155 Ų155131 Ų13183%0.82980%0.796SS**  166.6120.9114.1-85.4-26.4000112.5
365L42.1Very low36.5Very low166 Ų166133.2 Ų133.287%0.86980%0.802SS**  trans-85.4129.5155.6-70.3167.8000107.8
366L31.3Very low35.6Very low180 Ų180135.6 Ų135.694%0.94280%0.8SS**  trans-154.8146.5143.8-85.5-169.5000112.1
367S32.2Very low34.8Very low110 Ų110141.7 Ų141.777%0.76981%0.809SS**  trans-63.6160.4-171.1-55.20000118.9
368E31.2Very low34.4Very low191 Ų191134 Ų13489%0.89380%0.799SS**  177.8119.2124-97.8-176.2147.100109
369A32.6Very low34.1Very low90 Ų90133.6 Ų133.674%0.74480%0.796SS**  86.4112.271.400000115.8
370S29.3Very low33.5Very low129 Ų129133.7 Ų133.790%0.90280%0.802SS**  trans161.8136.7144.846.60000108.8
371A29.8Very low33.1Very low102 Ų102133.6 Ų133.684%0.84380%0.803SS**  cis-155.8156.9800000110.8
372S30.5Very low33.3Very low102 Ų102133.3 Ų133.371%0.71380%0.8SS**  trans-77.9175.5170.4-109.40000112.1
373P41.5Very low32.7Very low120 Ų120131 Ų13178%0.77980%0.798SS**  cis-136.9143.243.932.1-9.4000116.6
374V30.6Very low31.5Very low104 Ų104134.9 Ų134.963%0.6381%0.807SS**  66.4114.383.3-1760000116.5
375H31.4Very low31.2Very low184 Ų184136.4 Ų136.485%0.85281%0.809SS**  -146.9144.5127.8-107.2-67.3000111.4
376Q31Very low30.4Very low163 Ų163136.9 Ų136.976%0.76281%0.807SS**  trans-79.1157.5-169.6-66.3155.5-66.900114
377E25Very low30.2Very low202 Ų202132.6 Ų132.694%0.94480%0.798SS**  -167.9144.8115.7-110.6178.9164.700112.3
378A30Very low29.9Very low87 Ų87133 Ų13372%0.71980%0.801SS**  trans-129.9132-176.600000111
379S28.4Very low29.6Very low114 Ų114128.7 Ų128.780%0.79780%0.798SS**  trans54.4126.3137.950.60000123.7
380A29.5Very low29.3Very low101 Ų101129.4 Ų129.484%0.83580%0.797SS**  trans99131.113000000121.1
381S28.9Very low29.6Very low111 Ų111129.7 Ų129.778%0.77680%0.796SS**  trans-53170.8171.8-43.20000113.8
382P39.7Very low29.4Very low116 Ų116129.8 Ų129.875%0.75379%0.786SS**  -163.1-175.354.839.7-12.5000120.2
383V25.7Very low29.3Very low132 Ų132132.6 Ų132.680%0.879%0.787SS**  trans84.8134.4150.5-166.60000123.5
384H29Very low28.6Very low174 Ų174133.6 Ų133.681%0.80678%0.781SS**  trans-47.2150.1166.2-69.3-87.5000118.5
385Q26.6Very low28.2Very low186 Ų186136.5 Ų136.587%0.86979%0.788SS**  -172156.1121.2-115.3166.1-20.600114.3
386E25.1Very low27.9Very low177 Ų177131.9 Ų131.983%0.82778%0.782SS**  trans-63.8155.3-172-64.6156.811400116.5
387A26.6Very low27.6Very low89 Ų89129.9 Ų129.974%0.73679%0.786SS**  164.4127.8113.400000113.6
388S24.8Very low27.6Very low120 Ų120125.2 Ų125.284%0.83978%0.782SS**  trans44.6119130.5-52.10000121.6
389A26.2Very low27.3Very low100 Ų100126.4 Ų126.483%0.82679%0.785SS**  152.3125.910700000112.4
390S26.8Very low27.3Very low105 Ų105126.8 Ų126.873%0.73479%0.785SS**  trans-69.9167.9155.1-48.80000110.3
391P35.5Very low27Very low135 Ų135127.8 Ų127.888%0.87778%0.78SS**  -140.6-173.696.434.5-17.1000114.3
392V24.8Very low26.9Very low103 Ų103129.7 Ų129.762%0.62478%0.777SS**  trans-129.4155.8-152.1150.70000109.1
393H28.4Very low26.1Very low162 Ų162133.8 Ų133.875%0.7579%0.785SS**  trans69.1152.1160.5-69.8-29.7000119
394Q26Very low26Very low140 Ų140135.8 Ų135.865%0.65479%0.786SS**  cis-170.8157.66.7-120165.7-54.700110.1
395E23.6Very low25.7Very low166 Ų166132.3 Ų132.378%0.77679%0.787SS**  trans33.9148.7140.7-73.9171.2134.500122
396A25Very low25.5Very low86 Ų86128.8 Ų128.871%0.71178%0.783SS**  cis-170.4162.95.500000110.9
397S23.6Very low25.4Very low122 Ų122127.4 Ų127.485%0.85379%0.787SS**  trans57.1117.9145-60.20000123.6
398A25.5Very low25.3Very low104 Ų104127.7 Ų127.786%0.8679%0.79SS**  168133.8109.100000113.2
399S24.6Very low25.3Very low112 Ų112131 Ų13178%0.78379%0.792SS**  trans-73.8171.8-179.9-49.10000115
400P28Very low25.2Very low121 Ų121135.6 Ų135.679%0.78680%0.796SS**  -137.8134.493.119.72.4000113.6
401V23.2Very low25Very low122 Ų122135.8 Ų135.874%0.73980%0.797SS**  84.8109.591.4166.10000116.5
402H26Very low24.4Very low152 Ų152134 Ų13470%0.70479%0.788SS**  trans46.6125145.2-63.5-65.6000123.8
403Q24.2Very low24.3Very low201 Ų201135 Ų13594%0.93979%0.794SS**  -157.5137.4103.8-108.9170.7-18.900112.5
404E22.9Very low24.2Very low175 Ų175136.3 Ų136.382%0.81880%0.798SS**  trans-82.6158.6-172-61.5168.1141.100113.5
405A22.7Very low24.1Very low100 Ų100135.5 Ų135.583%0.82680%0.802SS**  -170.2124.1119.500000111.8
406S22.8Very low24.1Very low112 Ų112132.1 Ų132.178%0.78380%0.803SS**  trans-71.7154.6173.950.50000114
407T22.6Very low24Very low148 Ų148134.6 Ų134.691%0.90881%0.809SS**  trans-147.8128.1145-26.80000110.7
408A24.6Very low24.2Very low96 Ų96138.4 Ų138.479%0.79381%0.813SS**  trans-83.1158-177.300000112.5
409E24.7Very low24.2Very low188 Ų188136.4 Ų136.488%0.87980%0.803SS**  trans-62.7148171.7-61.7175.9130.600112.7
410Q23.8Very low24.7Very low198 Ų198143.4 Ų143.493%0.92581%0.812SS**  trans-158.6136.6132.2-113.9165.729.800114.2
411S21.8Very low24.7Very low108 Ų108146.8 Ų146.876%0.75582%0.817SS**  trans-52.7144.5175178.70000115
412S23.9Very low24.9Very low98 Ų98145.7 Ų145.769%0.68582%0.821SS**  trans-145.4126.6149.256.40000111.4
413V22.7Very low25Very low123 Ų123142.5 Ų142.575%0.74582%0.821SS**  trans-68.4133.9174.11700000109.6
414F25.2Very low25.4Very low191 Ų191137.4 Ų137.484%0.83881%0.813SS**  trans-115.9121.4165.7-88.8-86.6000111.2
415V23.8Very low25.8Very low123 Ų123139.4 Ų139.475%0.74582%0.815SS**  trans-74.7139170.9172.40000108.9V417V415-V417 PolarHBondContact O-N 2.95Å
416A23.6Very low26.6Very low95 Ų95140 Ų14079%0.78581%0.809SS**  trans-61.8126.1174.900000111.4
417V24.6Very low27.2Very low137 Ų137143.7 Ų143.783%0.8381%0.813SS**  trans-115.9114.5159.6174.80000107.1V415 G419V415-V417 PolarHBondContact O-N 2.95Å; V417-G419 PolarHBondContact O-N 3.44Å
418E28.1Very low27.7Very low202 Ų202142.1 Ų142.194%0.94480%0.803SS**  trans-69.5109.6173.9-163.4168.8-171.600108.6
419G25.3Very low29Very low63 Ų63139.7 Ų139.765%0.64979%0.788SS**  trans-142.8105-178.800000109.9V417 E421V417-G419 PolarHBondContact O-N 3.44Å; G419-E421 PolarHBondContact O-N 3.29Å; G419-E421 VanDerWaalsContact O-N 3.09Å
420R33.9Very low30Very low258 Ų258138.2 Ų138.297%0.97478%0.781SS**  trans-72.992.3-178.5-160.9-174-152.4-1766.8109.7
421E28.4Very low30.7Very low192 Ų192133.5 Ų133.590%0.89777%0.765SS**  trans-99.3107.5170.1-107.5-179.2164.400110.7G419 A423G419-E421 PolarHBondContact O-N 3.29Å; G419-E421 VanDerWaalsContact O-N 3.09Å; E421-A423 PolarHBondContact O-N 2.77Å
422A27.3Very low31.7Very low100 Ų100136.6 Ų136.683%0.82676%0.761SS**  trans-74.5101.8169.400000108.8A424A422-A424 PolarHBondContact O-N 3.42Å; A422-A424 VanDerWaalsContact O-N 3.07Å
423A29Very low32.5Very low84 Ų84138.8 Ų138.869%0.69478%0.776SS**  trans-66.7105169.300000109.3E421 Y425E421-A423 PolarHBondContact O-N 2.77Å; A423-Y425 WeakPolarHBondContact O-CD1 3.38Å; A423-Y425 PolarHBondContact O-N 2.85Å
424A31Very low33.8Very low94 Ų94137.4 Ų137.478%0.77777%0.772SS**  trans-68.2114.6173.300000109.8A422A422-A424 PolarHBondContact O-N 3.42Å; A422-A424 VanDerWaalsContact O-N 3.07Å
425Y31.8Very low34.8Very low217 Ų217131.5 Ų131.585%0.85176%0.764SS**  trans-77.3119.4171.813.3-92.6000109.6A423 Q427A423-Y425 WeakPolarHBondContact O-CD1 3.38Å; A423-Y425 PolarHBondContact O-N 2.85Å; Y425-Q427 PolarHBondContact O-N 3.4Å
426T39.4Very low35.4Very low114 Ų114129 Ų12970%0.69975%0.753SS**  trans-79110.4171.2-42.30000108.8L439T426-L439 HydrophobicContact CG2-CD2 4.43Å
427Q35.6Very low35.9Very low188 Ų188128.2 Ų128.288%0.87974%0.738SS**  trans-72.1133.3169.2-89-178.63.400110Y425Y425-Q427 PolarHBondContact O-N 3.4Å
428V33.6Very low36.4Very low115 Ų115129.1 Ų129.170%0.69774%0.737SS**  trans-86123174.2-175.60000108.3V437V428-V437 HydrophobicContact CG1-CG1 4.14Å
429G52.5Low36.6Very low45 Ų45126 Ų12646%0.46473%0.726SS.*  trans-76.7-169.3173.200000113.5
430E44.7Very low37.2Very low158 Ų158131.8 Ų131.874%0.73874%0.736SS**  trans-55.2135.6-175.9-169.2-177179.200113.7
431V38.1Very low37.1Very low99 Ų99128.1 Ų128.160%0.673%0.727SS**BIsolated β-bridgetrans-95.7114.9172.1179.80000108.6
432R43Very low37Very low173 Ų173125 Ų12565%0.65372%0.721SS**  trans-78.1148.9170.8-67.9-174.8175.9-177.50.2109.9S434 G435R432-S434 PolarHBondContact O-N 3.35Å; R432-G435 PolarHBondContact O-N 3.15Å
433S42Very low37Very low143 Ų143125 Ų125100%171%0.712SS**THydrogen-bonded Turntrans-61.35.9-178.727.60000115.7
434S48.6Very low37.1Very low95 Ų95128.4 Ų128.466%0.66472%0.716SS**THydrogen-bonded Turntrans-103.94.6171.462.20000114.4R432 S436R432-S434 PolarHBondContact O-N 3.35Å; S434-S436 PolarHBondContact O-N 2.83Å
435G45.9Very low36.9Very low66 Ų66132.3 Ų132.368%0.6872%0.716SS**SBendtrans76.612.6172.900000116.2R432R432-G435 PolarHBondContact O-N 3.15Å
436S36.8Very low36.7Very low72 Ų72130.4 Ų130.450%0.50372%0.715SS.*PPolyproline II helixtrans-99.8134.5172.751.10000111.6S434S434-S436 PolarHBondContact O-N 2.83Å
437V34.7Very low36.1Very low78 Ų78130.8 Ų130.847%0.47372%0.717SS.*BIsolated β-bridgetrans-103124.7178.3-1780000108.9V428 L439V428-V437 HydrophobicContact CG1-CG1 4.14Å; V437-L439 HydrophobicContact CG1-CD1 4.46Å
438L33.7Very low35.7Very low156 Ų156129.2 Ų129.282%0.81772%0.715SS**PPolyproline II helixtrans-98.9121.5173.8-153.895.9000109
439L34.1Very low35.4Very low135 Ų135132.3 Ų132.371%0.70772%0.724SS**PPolyproline II helixtrans-88.3126.5175.2-74.588.9000110.1T426 V437T426-L439 HydrophobicContact CG2-CD2 4.43Å; V437-L439 HydrophobicContact CG1-CD1 4.46Å
440E36.2Very low34.4Very low185 Ų185139.6 Ų139.686%0.86475%0.746SS**PPolyproline II helixtrans-85.8125.2171.9-169.4169.9-168.700109.9
441K31.5Very low33.6Very low181 Ų181141.4 Ų141.479%0.78775%0.754SS**  trans-93.899.7177.7-171.8176.5-178173.90109.3T443K441-T443 PolarHBondContact O-N 2.98Å; K441-T443 VanDerWaalsContact O-N 3.09Å
442T27.1Very low33.1Very low126 Ų126145 Ų14577%0.77376%0.764SS**  trans-68.4105.5163.439.30000108.5
443T27Very low32.3Very low102 Ų102146.2 Ų146.263%0.62677%0.774SS**  trans-90.4105.3169.2-43.20000106.6K441 K445K441-T443 PolarHBondContact O-N 2.98Å; K441-T443 VanDerWaalsContact O-N 3.09Å; T443-K445 PolarHBondContact O-N 3.21Å
444I30.8Very low31.5Very low154 Ų154143 Ų14379%0.7976%0.764SS**  trans-65.6106165.4-61174.2000105.9E446I444-E446 PolarHBondContact O-N 3.24Å
445K27.6Very low30.5Very low177 Ų177148.5 Ų148.577%0.7778%0.776SS**  trans-80107163.7-79.8-176.6175.3-179.60107T443 T447T443-K445 PolarHBondContact O-N 3.21Å; K445-T447 PolarHBondContact O-N 2.96Å; K445-T447 VanDerWaalsContact O-N 3.12Å
446E27.7Very low29.6Very low177 Ų177155.5 Ų155.583%0.82779%0.787SS**  trans-60.1111.8157.4-73.5-178.3163.500107.4I444I444-E446 PolarHBondContact O-N 3.24Å
447T26.2Very low29Very low121 Ų121159.5 Ų159.574%0.74280%0.798SS**  trans-93.7101.816935.30000106.6K445 M449K445-T447 PolarHBondContact O-N 2.96Å; K445-T447 VanDerWaalsContact O-N 3.12Å; T447-M449 PolarHBondContact O-N 3.35Å
448N28.6Very low28.6Very low156 Ų156163.1 Ų163.183%0.83482%0.815SS**  trans-65112.7159.5-78.2-26.1000107.4
449M27.5Very low28.2Very low179 Ų179162.2 Ų162.288%0.88281%0.811SS**  trans-96.7111.1156.6-82.9-168.9169.200107.7T447T447-M449 PolarHBondContact O-N 3.35Å
450E30.7Very low27.8Very low198 Ų198162.9 Ų162.993%0.92582%0.82SS**  trans-61127.9155.8-69.3173.8145.800108.2
451E27Very low27.3Very low196 Ų196161.3 Ų161.392%0.91682%0.817SS**  trans-122.8116.3163.9-152175.2-160.800109
452E28.6Very low27Very low175 Ų175157.8 Ų157.882%0.81881%0.811SS**  trans-91127.4-178.2-152.9-167.7172.200110.3
453K26.8Very low27Very low198 Ų198159.1 Ų159.186%0.86181%0.813SS**  trans33.9125.2153-85.1177.2174166.10121.2
454G25Very low27.1Very low76 Ų76158.3 Ų158.378%0.78482%0.816SS**  trans-153.6109.1147.600000113
455K26.8Very low26.9Very low211 Ų211157.3 Ų157.392%0.91781%0.813SS**  trans-51.2141.4174.6-83.7172.5166.1176.80113.7
456K26.4Very low27Very low212 Ų212156.1 Ų156.192%0.92281%0.81SS**  -162.4150.6117.4-114.2176.4-178.6-177.90112.9
457Q24.7Very low27Very low156 Ų156157.2 Ų157.273%0.72981%0.806SS**  trans-94147.2-166.7179.6159.76.300109.6
458D27.3Very low27Very low155 Ų155158 Ų15883%0.82981%0.806SS**  -171.3143.7129.7-88.7-20.7000111.7
459D24.5Very low26.8Very low137 Ų137155.4 Ų155.473%0.73380%0.799SS**  trans-60.1152.7-174.2-64.7-54.7000114.3
460V26.6Very low26.7Very low148 Ų148152 Ų15290%0.89779%0.793SS**  -167.6139.8115.41630000110.6
461L24.8Very low26.7Very low153 Ų153147 Ų14780%0.80178%0.78SS**  trans-69.6166.2-169.8-163.286.5000115.4
462V26.1Very low26.8Very low107 Ų107145.8 Ų145.865%0.64877%0.774SS**  trans88.7125.2153.1-1670000114.9
463N27.1Very low26.7Very low154 Ų154144.9 Ų144.982%0.82477%0.772SS**  cis-156.6159.326.8-124.9-15.9000112.9
464A28.3Very low26.8Very low84 Ų84144.2 Ų144.269%0.69477%0.769SS**  trans-89.7151.9171.400000112.6
465D27.3Very low26.8Very low133 Ų133152.5 Ų152.571%0.71178%0.776SS**  trans-176.6110133.2-117.1-11.8000106
466Q28.6Very low26.8Very low152 Ų152150.5 Ų150.571%0.7178%0.775SS**  84.3132.963.6-165.6148.42100114.4
467R28.4Very low26.8Very low200 Ų200145.2 Ų145.276%0.75577%0.771SS**  trans89.7136.7157.1-92.6168.9-83.4150.90.2117.7
468D26.2Very low27Very low139 Ų139146.7 Ų146.774%0.74378%0.778SS**  cis158.9155.6-23.5-17414.8000105.2
469C23.7Very low26.9Very low100 Ų100147.4 Ų147.468%0.67678%0.781SS**  trans77116163.2-71.10000119.8
470S25.8Very low27.2Very low108 Ų108146 Ų14676%0.75578%0.779SS**  83.613773.5-1640000110.4
471S30.5Very low27.3Very low93 Ų93148.5 Ų148.565%0.6578%0.781SS**  cis-176.9158.111.525.90000109.4
472E30.1Very low27.3Very low171 Ų171146.8 Ų146.880%0.79978%0.782SS**  trans65.9122.2146.4-72.2-169.6141.900122.9
473M25.5Very low27.4Very low155 Ų155147.9 Ų147.976%0.76479%0.789SS**  168.7120.695-17077.776.500113.3
474K28.2Very low27.5Very low185 Ų185145.1 Ų145.180%0.80479%0.787SS**  trans1.3137.6157.2-71168.4173.8169.30121.8
475R26Very low27.6Very low249 Ų249150 Ų15094%0.9480%0.795SS**  -170143.6106.2-102-177.7-174.8-142.92.4113.5
476L26.9Very low27.8Very low169 Ų169151.4 Ų151.489%0.88580%0.802SS**  trans-65.3149.8-177.9-82.387.2000114.8
477A27.3Very low28Very low102 Ų102150 Ų15084%0.84381%0.807SS**  173.7137.9107.700000112.5
478E28.3Very low28.4Very low186 Ų186145.2 Ų145.287%0.86981%0.81SS**  trans-74.5150.4-179-65159.8128.500114.7
479L24.9Very low28.7Very low170 Ų170142.8 Ų142.889%0.8981%0.808SS**  trans-171.4161.4150-106.5137.3000109.4
480P30.3Very low29.1Very low109 Ų109143.6 Ų143.671%0.70881%0.812SS**  -119.4176.6-116.124.2-0.9000115.2
481E29.9Very low29.5Very low199 Ų199145.5 Ų145.593%0.9382%0.819SS**  trans-45126.9172.2-70.8172.9137.100114.1
482S24.1Very low29.9Very low117 Ų117150.1 Ų150.182%0.81882%0.824SS**  trans-105.9119164.265.20000110.4A484S482-A484 PolarHBondContact O-N 2.96Å
483V28.4Very low30.6Very low131 Ų131147.3 Ų147.379%0.79482%0.818SS**PPolyproline II helixtrans-58.1123.5174.71790000110.7Q485V483-Q485 PolarHBondContact O-N 2.66Å
484A28.6Very low31.5Very low96 Ų96144.8 Ų144.879%0.79381%0.812SS**PPolyproline II helixtrans-72.6118170.500000110.3S482S482-A484 PolarHBondContact O-N 2.96Å
485Q31.6Very low32.4Very low185 Ų185139.7 Ų139.786%0.86480%0.796SS**PPolyproline II helixtrans-86.6127.9167.9-86.9160.5-40.300109.8V483V483-Q485 PolarHBondContact O-N 2.66Å
486L30.5Very low33.5Very low164 Ų164135.8 Ų135.886%0.85979%0.788SS**PPolyproline II helixtrans-62.5143.9170.6-83.899000110.8
487P33.2Very low34.6Very low123 Ų123129.4 Ų129.480%0.79976%0.763SS**PPolyproline II helixtrans-69.5143.9172.827.9-31.5000111.5
488A35.9Very low35.4Very low99 Ų99128.7 Ų128.782%0.81875%0.748SS**PPolyproline II helixtrans-66.3140.917800000111.8
489A33.8Very low36.4Very low87 Ų87122.5 Ų122.572%0.71972%0.721SS**PPolyproline II helixtrans-64.4145.9176.900000111.8
490P32.2Very low37.5Very low117 Ų117123.2 Ų123.276%0.7672%0.722SS**PPolyproline II helixtrans-68.7135.6178.327.6-33000111.2Y492P490-Y492 PolarHBondContact O-N 3.22Å
491V34Very low38.5Very low148 Ų148125.1 Ų125.190%0.89772%0.721SS**PPolyproline II helixtrans-72.3119.7173179.80000108.3
492Y38.8Very low39Very low191 Ų191122.5 Ų122.575%0.74971%0.713SS**  trans-108.4141.9173.161.1-89000110.4P490 V494P490-Y492 PolarHBondContact O-N 3.22Å; Y492-V494 HydrophobicContact CD2-CG2 3.73Å; Y492-V494 HydrophobicContact CE2-CG2 3.56Å
493T44.3Very low39.9Very low111 Ų111119.7 Ų119.768%0.68169%0.694SS**PPolyproline II helixtrans-96.4126.6168.139.80000109
494V45.2Very low40.7Very low103 Ų103118.9 Ų118.962%0.62469%0.685SS**PPolyproline II helixtrans-85.5128.1175.9-1780000108.6Y492Y492-V494 HydrophobicContact CD2-CG2 3.73Å; Y492-V494 HydrophobicContact CE2-CG2 3.56Å
495V45.7Very low41.2Very low77 Ų77119.6 Ų119.647%0.46767%0.674SS.*EExtended strand (participates in β ladder)trans-88.3116.4173.6-179.10000108L504 L506V495-L504 HydrophobicContact CG1-CD2 4.01Å; V495-L506 HydrophobicContact CG2-CD2 3.96Å
496E49.3Very low41.8Very low168 Ų168115.4 Ų115.479%0.78566%0.658SS**EExtended strand (participates in β ladder)trans-85.6-21.2-175.3-162.9165.1175.400112.6
497G49.7Very low42.1Very low34 Ų34111.9 Ų111.935%0.35164%0.643SS.*EExtended strand (participates in β ladder)trans168.4175.8174.200000113.8L505G497-L505 PolarHBondContact O-N 3.42Å
498V44.8Very low42.3Very low88 Ų88111.7 Ų111.753%0.53364%0.641SS.*EExtended strand (participates in β ladder)trans-110.6129.7174.7-168.50000107.8S503 L504V498-S503 WeakPolarHBondContact CA-O 3.5Å; V498-L504 HydrophobicContact CG2-CD2 3.76Å
499D48.7Very low42.3Very low55 Ų55113.2 Ų113.229%0.29464%0.641SS.*  trans-73.1170.3175.576.911.5000112.2Q501 N502 S503D499-Q501 PolarHBondContact O-N 3.16Å; D499-Q501 VanDerWaalsContact OD1-C 3.24Å; D499-Q501 VanDerWaalsContact OD1-CA 3.27Å; D499-Q501 WeakPolarHBondContact OD1-CA 3.44Å; D499-Q501 WeakPolarHBondContact OD1-CB 3.34Å; D499-Q501 PolarHBondContact OD1-N 2.78Å; D499-N502 PolarHBondContact O-N 2.96Å; D499-N502 PolarHBondContact OD1-N 2.98Å; D499-N502 VanDerWaalsContact OD1-N 3.14Å; D499-S503 PolarHBondContact N-O 3.11Å; D499-S503 WeakPolarHBondContact OD1-CB 3.25Å; D499-S503 PolarHBondContact OD1-N 3.22Å; D499-S503 PolarHBondContact OD1-OG 3.26Å; D499-S503 WeakPolarHBondContact OD2-CB 3.39Å; D499-S503 PolarHBondContact OD2-OG 3.46Å
500M48.9Very low42.5Very low185 Ų185114.7 Ų114.791%0.91164%0.643SS**THydrogen-bonded Turntrans-66.8-2.1-179.6-66.5-124.1-58.100114
501Q50.2Low42.7Very low149 Ų149113.2 Ų113.270%0.69664%0.641SS**THydrogen-bonded Turntrans-108.914.8173.6-67.587.616.300112.8D499 S503D499-Q501 PolarHBondContact O-N 3.16Å; D499-Q501 VanDerWaalsContact OD1-C 3.24Å; D499-Q501 VanDerWaalsContact OD1-CA 3.27Å; D499-Q501 WeakPolarHBondContact OD1-CA 3.44Å; D499-Q501 WeakPolarHBondContact OD1-CB 3.34Å; D499-Q501 PolarHBondContact OD1-N 2.78Å; Q501-S503 VanDerWaalsContact C-N 3.32Å; Q501-S503 PolarHBondContact O-N 3.42Å
502N41.8Very low42.6Very low144 Ų144112.1 Ų112.177%0.7764%0.637SS**SBendtrans66.325.8-179.6-89.647.6000114.8D499D499-N502 PolarHBondContact O-N 2.96Å; D499-N502 PolarHBondContact OD1-N 2.98Å; D499-N502 VanDerWaalsContact OD1-N 3.14Å
503S43.6Very low42.3Very low58 Ų58110.3 Ų110.341%0.40664%0.64SS.*PPolyproline II helixtrans-96.1138.6176.6-31.10000111.2V498 D499 Q501V498-S503 WeakPolarHBondContact CA-O 3.5Å; D499-S503 PolarHBondContact N-O 3.11Å; D499-S503 WeakPolarHBondContact OD1-CB 3.25Å; D499-S503 PolarHBondContact OD1-N 3.22Å; D499-S503 PolarHBondContact OD1-OG 3.26Å; D499-S503 WeakPolarHBondContact OD2-CB 3.39Å; D499-S503 PolarHBondContact OD2-OG 3.46Å; Q501-S503 VanDerWaalsContact C-N 3.32Å; Q501-S503 PolarHBondContact O-N 3.42Å
504L44Very low41.8Very low115 Ų115111 Ų11160%0.60265%0.646SS**EExtended strand (participates in β ladder)trans-85.8124.5177.3-64.1-179.7000111V495 V498V495-L504 HydrophobicContact CG1-CD2 4.01Å; V498-L504 HydrophobicContact CG2-CD2 3.76Å
505L38.8Very low41Very low110 Ų110112.7 Ų112.758%0.57666%0.657SS**EExtended strand (participates in β ladder)trans-95.1120.4178.2-125.7143.5000109.8G497G497-L505 PolarHBondContact O-N 3.42Å
506L43.8Very low40.4Very low98 Ų98111.7 Ų111.751%0.51366%0.663SS.*EExtended strand (participates in β ladder)trans-121131.5-177.6-62.5173.2000110.3V495V495-L506 HydrophobicContact CG2-CD2 3.96Å
507T37.5Very low39.6Very low89 Ų89110.4 Ų110.455%0.54667%0.669SS.*  trans-107.9121.9176.3-44.80000110
508P38.2Very low38.5Very low119 Ų119117.9 Ų117.977%0.77369%0.692SS**PPolyproline II helixtrans-78.7126.6176.729.7-31.2000110.9
509T34.9Very low37.9Very low131 Ų131120.2 Ų120.280%0.80470%0.7SS**PPolyproline II helixtrans-86.3137.4173-31.60000110.1
510P38.1Very low37Very low118 Ų118124 Ų12477%0.76673%0.727SS**PPolyproline II helixtrans-70.3135.9-179.326.4-32.6000112.1
511A35.7Very low35.9Very low87 Ų87118.7 Ų118.772%0.71971%0.713SS**PPolyproline II helixtrans-65147178.300000112.3N513A511-N513 PolarHBondContact O-N 3.3Å
512P32.2Very low34.9Very low125 Ų125118 Ų11881%0.81272%0.719SS**PPolyproline II helixtrans-74.5121.4175.528.8-30.5000110.9
513N32.2Very low34.8Very low152 Ų152115.9 Ų115.981%0.81371%0.713SS**PPolyproline II helixtrans-66.3130.8169.1-94.6-16.5000110.8A511 T515A511-N513 PolarHBondContact O-N 3.3Å; N513-T515 PolarHBondContact O-N 3.42Å
514P34.7Very low34.1Very low125 Ų125120.9 Ų120.981%0.81274%0.735SS**  trans-80.4104.5165.729.4-28.4000110.1G516P514-G516 PolarHBondContact O-N 3.24Å
515T28.7Very low33.5Very low139 Ų139119 Ų11985%0.85374%0.744SS**  trans-74.7100.4170-42.60000109.4N513N513-T515 PolarHBondContact O-N 3.42Å
516G32.9Very low33Very low57 Ų57124.5 Ų124.559%0.58876%0.759SS**PPolyproline II helixtrans-86151.3164.400000111.8P514P514-G516 PolarHBondContact O-N 3.24Å
517P31.3Very low32.4Very low140 Ų140127.7 Ų127.791%0.90978%0.776SS**PPolyproline II helixtrans-73.1150.8-175.228.6-32.1000113.8
518K26.9Very low32.3Very low192 Ų192129 Ų12984%0.83578%0.784SS**PPolyproline II helixtrans-90.1124.1-170.4-104.4-175.2179.8175.20114.7
519I32.1Very low32.3Very low136 Ų136129.4 Ų129.470%0.69779%0.786SS**  trans52.1149.4138.7-5.4178.7000121.4
520P29.6Very low32.4Very low135 Ų135130.3 Ų130.388%0.87779%0.786SS**  -134.1176.666.321.83000116.1
521A27.3Very low32.8Very low73 Ų73132.3 Ų132.360%0.60379%0.79SS**  trans-103.9153.1-155.900000117.3
522T29.2Very low33.1Very low135 Ų135136.8 Ų136.883%0.82880%0.801SS**  trans64.6161.7146.352.40000120.5
523P38.8Very low33.2Very low99 Ų99134.3 Ų134.364%0.64380%0.798SS**  cis-139.2178.39.941.5-22000117.9
524D29.6Very low33.3Very low163 Ų163132.4 Ų132.487%0.87280%0.796SS**  trans82.2126.2148.5-59.6-30.7000123.2
525G30.5Very low33.3Very low77 Ų77132.9 Ų132.979%0.79480%0.797SS**  trans149.581.6153.400000116.4
526Y28.4Very low33.6Very low224 Ų224132.3 Ų132.388%0.87879%0.793SS**  trans-64.2150.7170.1-79.1-98.9000113.1
527L32.1Very low34.1Very low166 Ų166138.9 Ų138.987%0.86983%0.825SS**  169121.8109.4-83.5172.6000111.5
528T34.5Very low34.2Very low117 Ų117138.8 Ų138.872%0.71882%0.821SS**  trans-84.9146.4170.939.10000111.2D530T528-D530 PolarHBondContact O-N 3.17Å; T528-D530 VanDerWaalsContact O-N 3.17Å
529P38.4Very low34.6Very low127 Ų127136 Ų13683%0.82582%0.82SS**  trans-87.681.8-178.233.7-31.5000112.1
530D37Very low34.8Very low150 Ų150136 Ų13680%0.80283%0.827SS**  trans-106.323.9165.4-80.3-34000112.8T528T528-D530 PolarHBondContact O-N 3.17Å; T528-D530 VanDerWaalsContact O-N 3.17Å
531L47.5Very low35.1Very low160 Ų160136.1 Ų136.184%0.83882%0.824SS**  trans-138.876.6177.5-83.7165.6000111
532L41.3Very low35.6Very low181 Ų181140 Ų14095%0.94884%0.838SS**  trans-159.859155.2-102.1142.2000109.8
533G33.8Very low36Very low73 Ų73140.3 Ų140.375%0.75384%0.839SS**  trans-99.6103.9156.700000109.1
534S35.7Very low35.8Very low111 Ų111143.3 Ų143.378%0.77685%0.853SS**  trans170.4143.7139.746.10000111.7
535V34.2Very low36.3Very low136 Ų136141.8 Ų141.882%0.82485%0.851SS**  trans98.990.1166.9-162.80000115.8
536T34.8Very low36.7Very low126 Ų126147.2 Ų147.277%0.77386%0.856SS**  trans-65.8159.7141.438.60000110.5
537P43.3Very low37.5Very low195 Ų195140.2 Ų140.2100%1.26685%0.854SS**  cis-106.3019.838.1-31000116.2

Retrieved 537 of 537 residues in 486.5 ms (Link to these results)