A0A096N353_PAPAN Loading...

Ribonuclease H2 subunit C

AlphaFold DB , UniProt , Accession A0A096N353, Species PAPAN (Papio anubis, Olive baboon), Gene RNASEH2C, Length 246 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low56Low246 Ų246114.4 Ų114.4100%1.21262%0.621SS**  085.80-77175.5168.300106.8
2E50.5Low57.7Low193 Ų193117.6 Ų117.690%0.90263%0.628SS**  trans-13442177.6-77.3178125.500109.4
3C50.8Low59.8Low117 Ų117119.2 Ų119.279%0.79162%0.62SS**  trans-101.5-3.2-178.7-161.10000112.5
4G52.8Low61.9Low63 Ų63115.8 Ų115.865%0.64961%0.607SS**SBendtrans-93.7-21.7-174.900000115.4
5D56.2Low63.7Low121 Ų121110.7 Ų110.765%0.64758%0.578SS**SBendtrans-88.4-35.3-171.6-153.724.3000112A8 I9D5-A8 PolarHBondContact O-N 2.93Å; D5-I9 WeakPolarHBondContact O-CD1 2.96Å; D5-I9 VanDerWaalsContact O-CG1 3.29Å; D5-I9 WeakPolarHBondContact O-CG1 3.34Å; D5-I9 PolarHBondContact O-N 3.29Å; D5-I9 VanDerWaalsContact O-N 3.14Å
6E58.6Low65.5Low113 Ų113108.3 Ų108.353%0.52857%0.566SS.*Hα-helixtrans-64.2-48.6-179.3-132.8-80.714100111.7A8 I9 E10E6-A8 PolarHBondContact O-N 3.4Å; E6-I9 WeakPolarHBondContact O-CB 3.48Å; E6-I9 PolarHBondContact O-N 3.32Å; E6-I9 VanDerWaalsContact O-N 3.09Å; E6-E10 PolarHBondContact O-N 3.45Å; E6-E10 VanDerWaalsContact O-N 3.16Å
7A57Low67Low49 Ų49106.5 Ų106.541%0.40555%0.55SS..Hα-helixtrans-65-21.4175.900000114.3
8A59.3Low68.3Low44 Ų44105.2 Ų105.236%0.36455%0.551SS.*Hα-helixtrans-81.4-32.7174.800000111.9D5 E6 H12D5-A8 PolarHBondContact O-N 2.93Å; E6-A8 PolarHBondContact O-N 3.4Å; A8-H12 PolarHBondContact O-ND1 2.95Å
9I61.8Low69.6Low78 Ų78103.1 Ų103.140%0.455%0.55SS.*Hα-helixtrans-68.8-41176.5-68.1162.7000110.6D5 E6 R11 H12D5-I9 WeakPolarHBondContact O-CD1 2.96Å; D5-I9 VanDerWaalsContact O-CG1 3.29Å; D5-I9 WeakPolarHBondContact O-CG1 3.34Å; D5-I9 PolarHBondContact O-N 3.29Å; D5-I9 VanDerWaalsContact O-N 3.14Å; E6-I9 WeakPolarHBondContact O-CB 3.48Å; E6-I9 PolarHBondContact O-N 3.32Å; E6-I9 VanDerWaalsContact O-N 3.09Å; I9-R11 VanDerWaalsContact C-N 3.3Å; I9-R11 PolarHBondContact O-N 2.9Å; I9-H12 PolarHBondContact O-N 3.08Å; I9-H12 VanDerWaalsContact O-N 3.12Å
10E59.9Low70.8Confident52 Ų5299.5 Ų99.524%0.24353%0.533CS..Hα-helixtrans-59-38.4179.8-71.9-179.1146.600113.1E6 H12 R13E6-E10 PolarHBondContact O-N 3.45Å; E6-E10 VanDerWaalsContact O-N 3.16Å; E10-H12 PolarHBondContact O-N 3.31Å; E10-R13 PolarHBondContact O-N 3.22Å; E10-R13 VanDerWaalsContact O-N 3.14Å
11R66.5Low71.9Confident182 Ų18296.7 Ų96.769%0.68752%0.518SS*.THydrogen-bonded Turntrans-64.3-9.1177.9-68.5-175.9-177.9173.42.6115.1I9 R118I9-R11 VanDerWaalsContact C-N 3.3Å; I9-R11 PolarHBondContact O-N 2.9Å; R11-R118 PolarHBondContact O-NH2 2.92Å
12H76.6Confident74.2Confident153 Ų15395.5 Ų95.571%0.70850%0.499SS*.THydrogen-bonded Turntrans-110.1-5.5179.9-64.385.6000113.1A8 I9 E10A8-H12 PolarHBondContact O-ND1 2.95Å; I9-H12 PolarHBondContact O-N 3.08Å; I9-H12 VanDerWaalsContact O-N 3.12Å; E10-H12 PolarHBondContact O-N 3.31Å
13R84.6Confident76.2Confident138 Ų13892.6 Ų92.652%0.52149%0.49SS..  trans-91.3145.5-179.4-60.2177.499.1155.22.9110.4E10 H15 R118E10-R13 PolarHBondContact O-N 3.22Å; E10-R13 VanDerWaalsContact O-N 3.14Å; R13-H15 WeakPolarHBondContact CB-NE2 3.13Å; R13-R118 PolarHBondContact O-NH2 3.18Å
14V88.9Confident78.3Confident72 Ų7287.6 Ų87.644%0.43646%0.457SS..  trans-128.3123.8169.3-179.10000106.2R118 I120V14-R118 WeakPolarHBondContact CA-O 3.34Å; V14-R118 HydrophobicContact CG1-CB 4.45Å; V14-R118 HydrophobicContact CG2-CB 4.21Å; V14-I120 HydrophobicContact CG1-CB 3.89Å; V14-I120 HydrophobicContact CG1-CG2 3.83Å
15H90Very high80.3Confident39 Ų3987.4 Ų87.418%0.18145%0.45CS..EExtended strand (participates in β ladder)trans-96.7125.6-171.1-67.7-92000110.7R13 F116 R118 F119 I120R13-H15 WeakPolarHBondContact CB-NE2 3.13Å; H15-F116 AromaticContact CD2-CD1 3.44Å; H15-F116 VanDerWaalsContact CD2-CD1 3.44Å; H15-F116 WeakPolarHBondContact CD2-CD1 3.42Å; H15-F116 AromaticContact CD2-CG 3.76Å; H15-F116 AromaticContact CE1-CD1 3.1Å; H15-F116 WeakPolarHBondContact CE1-CD1 3.22Å; H15-F116 AromaticContact CE1-CE1 3.05Å; H15-F116 WeakPolarHBondContact CE1-CE1 3.46Å; H15-F116 AromaticContact CE1-CG 3.94Å; H15-F116 AromaticContact CE1-CZ 3.86Å; H15-F116 AromaticContact CG-CD1 3.77Å; H15-F116 AromaticContact CG-CG 3.85Å; H15-F116 AromaticContact ND1-CD1 3.57Å; H15-F116 AromaticContact ND1-CE1 3.61Å; H15-F116 AromaticContact ND1-CG 3.95Å; H15-F116 AromaticContact NE2-CD1 3.05Å; H15-F116 WeakPolarHBondContact NE2-CD1 3.25Å; H15-F116 AromaticContact NE2-CE1 3.5Å; H15-F116 AromaticContact NE2-CG 3.87Å; H15-R118 PolarHBondContact N-O 3.44Å; H15-F119 HydrophobicContact CB-CD1 3.61Å; H15-F119 HydrophobicContact CB-CE1 3.64Å; H15-F119 HydrophobicContact CB-CG 4.4Å; H15-F119 HydrophobicContact CB-CZ 4.46Å; H15-F119 CarbonylContact O-C 3.53Å; H15-F119 VanDerWaalsContact O-CA 3.25Å; H15-F119 WeakPolarHBondContact O-CA 3.4Å; H15-I120 PolarHBondContact O-N 2.79Å
16L91.9Very high82.3Confident72 Ų7287.3 Ų87.338%0.37746%0.456SS..EExtended strand (participates in β ladder)trans-83124.8177.4179.462.4000110.5S18 L21 M84 I120L16-S18 PolarHBondContact O-N 3.3Å; L16-L21 HydrophobicContact CD1-CD2 4.38Å; L16-L21 HydrophobicContact CD2-CD1 3.83Å; L16-L21 HydrophobicContact CD2-CD2 4.31Å; L16-L21 HydrophobicContact CD2-CG 4.37Å; L16-L21 HydrophobicContact CG-CD1 4.37Å; L16-M84 HydrophobicContact CD1-CE 4.34Å; L16-M84 HydrophobicContact CD1-SD 4.42Å; L16-I120 WeakPolarHBondContact CA-O 3.43Å; L16-I120 HydrophobicContact CB-CG2 4.26Å; L16-I120 HydrophobicContact CD1-CG2 3.96Å
17R90.7Very high84.1Confident79 Ų7984.8 Ų84.830%0.29845%0.448SS..  trans-72.8100.9172.5-67.8-159.4-176.1-89.2-2.1110.8A19 T20 E87 E113 F119 I120R17-A19 PolarHBondContact O-N 3.09Å; R17-T20 HydrophobicContact CB-CG2 3.67Å; R17-T20 PolarHBondContact O-N 2.94Å; R17-T20 VanDerWaalsContact O-N 3.09Å; R17-T20 PolarHBondContact O-OG1 3.03Å; R17-E87 WeakPolarHBondContact CD-OE1 3.39Å; R17-E87 IonicContact CZ-OE1 3.27Å; R17-E87 IonicContact CZ-OE2 3.29Å; R17-E87 VanDerWaalsContact CZ-OE2 3.27Å; R17-E87 IonicContact NE-OE1 3.78Å; R17-E87 PolarHBondContact NE-OE1 3.01Å; R17-E87 IonicContact NE-OE2 2.82Å; R17-E87 PolarHBondContact NE-OE2 3.49Å; R17-E87 IonicContact NH2-OE2 2.76Å; R17-E87 PolarHBondContact NH2-OE2 2.84Å; R17-E113 IonicContact NH1-OE1 2.83Å; R17-F119 HydrophobicContact CG-CD1 4.07Å; R17-I120 PolarHBondContact N-O 2.92Å
18S91.3Very high85.9Confident82 Ų8285.9 Ų85.957%0.57346%0.457SS*.Hα-helixtrans-62.2-27.8-176.3-61.30000114.2L16 T20 L21L16-S18 PolarHBondContact O-N 3.3Å; S18-T20 VanDerWaalsContact C-N 3.34Å; S18-L21 PolarHBondContact O-N 3.22Å
19A92.2Very high87.8Confident65 Ų6586.3 Ų86.354%0.53745%0.453SS..Hα-helixtrans-61.3-43.4174.600000111.7R17 L21 R22 D23R17-A19 PolarHBondContact O-N 3.09Å; A19-L21 PolarHBondContact O-N 3.03Å; A19-L21 VanDerWaalsContact O-N 3.14Å; A19-R22 WeakPolarHBondContact O-CB 3.23Å; A19-R22 PolarHBondContact O-N 3.2Å; A19-D23 PolarHBondContact O-N 2.78Å
20T93.8Very high89.5Confident32 Ų3285.2 Ų85.220%0.19645%0.446CS..Hα-helixtrans-62-27.1-177.767.10000113.3R17 S18 R22 D23 A24 G121 A122R17-T20 HydrophobicContact CB-CG2 3.67Å; R17-T20 PolarHBondContact O-N 2.94Å; R17-T20 VanDerWaalsContact O-N 3.09Å; R17-T20 PolarHBondContact O-OG1 3.03Å; S18-T20 VanDerWaalsContact C-N 3.34Å; T20-R22 VanDerWaalsContact C-N 3.28Å; T20-R22 PolarHBondContact O-N 2.76Å; T20-D23 PolarHBondContact O-N 3.45Å; T20-A24 WeakPolarHBondContact O-CB 3.45Å; T20-A24 PolarHBondContact O-N 3.49Å; T20-A24 VanDerWaalsContact O-N 3.07Å; T20-G121 WeakPolarHBondContact OG1-CA 3.43Å; T20-A122 WeakPolarHBondContact CB-O 3.44Å; T20-A122 PolarHBondContact OG1-N 3Å
21L93.9Very high91.3Very high41 Ų4186.3 Ų86.322%0.21545%0.453CS..Hα-helixtrans-66.8-29.6175.4-63.3173.7000113.2L16 S18 A19 Y82 A122L16-L21 HydrophobicContact CD1-CD2 4.38Å; L16-L21 HydrophobicContact CD2-CD1 3.83Å; L16-L21 HydrophobicContact CD2-CD2 4.31Å; L16-L21 HydrophobicContact CD2-CG 4.37Å; L16-L21 HydrophobicContact CG-CD1 4.37Å; S18-L21 PolarHBondContact O-N 3.22Å; A19-L21 PolarHBondContact O-N 3.03Å; A19-L21 VanDerWaalsContact O-N 3.14Å; L21-Y82 HydrophobicContact CB-CE1 4.29Å; L21-Y82 HydrophobicContact CD2-CD1 4.05Å; L21-Y82 HydrophobicContact CD2-CD2 3.97Å; L21-Y82 HydrophobicContact CD2-CE1 3.96Å; L21-Y82 HydrophobicContact CD2-CE2 3.87Å; L21-Y82 HydrophobicContact CD2-CG 4.04Å; L21-Y82 VanDerWaalsContact O-CE1 3.31Å; L21-Y82 WeakPolarHBondContact O-CE1 3.38Å; L21-Y82 PolarHBondContact O-OH 3.39Å; L21-A122 HydrophobicContact CD2-CB 3.84Å
22R92Very high92.8Very high220 Ų22079.9 Ų79.983%0.8343%0.432SS*.Hα-helixtrans-81.9-35.6-179.6-60.2-177.4-177.6-83.80.1111.2A19 T20A19-R22 WeakPolarHBondContact O-CB 3.23Å; A19-R22 PolarHBondContact O-N 3.2Å; T20-R22 VanDerWaalsContact C-N 3.28Å; T20-R22 PolarHBondContact O-N 2.76Å
23D92Very high93.7Very high133 Ų13375.5 Ų75.571%0.71142%0.417SS*.Hα-helixtrans-92.8-5.5-174-57.2-29.2000113.3A19 T20 A25A19-D23 PolarHBondContact O-N 2.78Å; T20-D23 PolarHBondContact O-N 3.45Å; D23-A25 PolarHBondContact O-N 2.89Å; D23-A25 VanDerWaalsContact O-N 3.12Å
24A94.1Very high94.3Very high12 Ų1271.5 Ų71.510%0.09941%0.41CS..  trans-60.5113.2-177.100000112.5T20 Y82 A122 S125T20-A24 WeakPolarHBondContact O-CB 3.45Å; T20-A24 PolarHBondContact O-N 3.49Å; T20-A24 VanDerWaalsContact O-N 3.07Å; A24-Y82 HydrophobicContact CB-CD1 4.08Å; A24-Y82 HydrophobicContact CB-CE1 3.92Å; A24-A122 HydrophobicContact CB-CB 4.13Å; A24-S125 PolarHBondContact O-OG 2.97Å
25A95.8Very high94.7Very high59 Ų5977.1 Ų77.149%0.48843%0.431SS..EExtended strand (participates in β ladder)trans-66.5144.5-179.200000112.2D23 A124 S125D23-A25 PolarHBondContact O-N 2.89Å; D23-A25 VanDerWaalsContact O-N 3.12Å; A25-A124 CarbonylContact O-C 3.57Å; A25-A124 WeakPolarHBondContact O-CA 3.15Å; A25-A124 WeakPolarHBondContact O-CB 3.46Å; A25-S125 PolarHBondContact O-N 3.48Å
26P96.6Very high95Very high119 Ų11978.8 Ų78.877%0.77344%0.444SS*.EExtended strand (participates in β ladder)trans-61.1137.4173.7-24.234.7000112.4S125P26-S125 CarbonylContact C-O 3.58Å; P26-S125 VanDerWaalsContact CA-O 3.26Å; P26-S125 WeakPolarHBondContact CA-O 3.42Å
27V97.1Very high95.2Very high60 Ų6080.3 Ų80.336%0.36447%0.467SS..  trans-132.2147.1178.271.20000112.3L29 V83 A124 S125V27-L29 HydrophobicContact CG1-CD2 4.09Å; V27-L29 HydrophobicContact CG1-CG 4.15Å; V27-V83 HydrophobicContact CG1-CG2 4.2Å; V27-A124 HydrophobicContact CB-CB 3.78Å; V27-A124 HydrophobicContact CG1-CB 3.5Å; V27-S125 PolarHBondContact N-O 2.95Å
28A95.9Very high95.5Very high72 Ų7282 Ų8260%0.59549%0.485SS*.  trans-84.9127170.500000110.4
29L97.6Very high95.7Very high52 Ų5285.8 Ų85.827%0.27250%0.5SS..  trans-114.8145178.9-67.1-178.5000111.7V27 V83 F126 F129 T130V27-L29 HydrophobicContact CG1-CD2 4.09Å; V27-L29 HydrophobicContact CG1-CG 4.15Å; L29-V83 HydrophobicContact CD1-CG2 4.4Å; L29-V83 HydrophobicContact CD2-CG2 4.33Å; L29-F126 HydrophobicContact CD1-CB 4.23Å; L29-F126 HydrophobicContact CD1-CD1 3.34Å; L29-F126 HydrophobicContact CD1-CD2 3.82Å; L29-F126 HydrophobicContact CD1-CE1 3.45Å; L29-F126 VanDerWaalsContact CD1-CE1 3.45Å; L29-F126 HydrophobicContact CD1-CE2 3.92Å; L29-F126 HydrophobicContact CD1-CG 3.53Å; L29-F126 HydrophobicContact CD1-CZ 3.74Å; L29-F126 HydrophobicContact CG-CD1 4.41Å; L29-F126 HydrophobicContact CG-CG 4.37Å; L29-F129 HydrophobicContact CB-CB 3.74Å; L29-T130 PolarHBondContact O-N 3.32Å
30H97.8Very high95.9Very high55 Ų5585.3 Ų85.326%0.25550%0.501SS..EExtended strand (participates in β ladder)trans-131.8121.1177.6-58.5-55.1000109.8F48 T130 W132H30-F48 HydrophobicContact CB-CE1 4.31Å; H30-F48 AromaticContact CD2-CD1 3.79Å; H30-F48 AromaticContact CD2-CE1 3.64Å; H30-F48 AromaticContact CG-CE1 3.77Å; H30-F48 AromaticContact NE2-CD1 3.89Å; H30-F48 AromaticContact NE2-CE1 3.87Å; H30-T130 WeakPolarHBondContact CA-O 3.48Å; H30-T130 WeakPolarHBondContact ND1-CB 3.49Å; H30-T130 PolarHBondContact ND1-OG1 3.49Å; H30-W132 AromaticContact CG-NE1 3.76Å; H30-W132 AromaticContact ND1-NE1 3.49Å; H30-W132 PolarHBondContact ND1-NE1 2.58Å
31L97.8Very high96Very high75 Ų7590.6 Ų90.639%0.39354%0.535SS..EExtended strand (participates in β ladder)trans-95.2111.8172-176.561.2000109.2F129 T130 L131 W132 V144L31-F129 HydrophobicContact CB-CD2 4.27Å; L31-F129 HydrophobicContact CB-CE2 4.3Å; L31-F129 HydrophobicContact CD2-CE2 4.38Å; L31-T130 PolarHBondContact N-O 3.34Å; L31-L131 HydrophobicContact CB-CD1 4.29Å; L31-L131 HydrophobicContact CD2-CD1 3.77Å; L31-L131 HydrophobicContact CG-CD1 4.27Å; L31-W132 WeakPolarHBondContact O-CB 3.38Å; L31-W132 PolarHBondContact O-N 3.48Å; L31-V144 HydrophobicContact CD2-CG1 4.31Å; L31-V144 HydrophobicContact CD2-CG2 3.78Å
32L97.8Very high96.1Very high47 Ų4792 Ų9225%0.24655%0.553CS.*  trans-89.3146.9-176.9-59.1179.1000111.6C34 F48 F63 L68 W132L32-C34 PolarHBondContact O-N 3.17Å; L32-F48 HydrophobicContact CD2-CE2 4.15Å; L32-F48 HydrophobicContact CD2-CZ 3.94Å; L32-F63 HydrophobicContact CD1-CE1 4.32Å; L32-F63 HydrophobicContact CD1-CZ 4.32Å; L32-L68 HydrophobicContact CD2-CD1 4.11Å; L32-W132 HydrophobicContact CD2-CG 4.32Å
33P96.8Very high96.3Very high61 Ų6185.3 Ų85.340%0.39654%0.538SS..SBendtrans-82.736.2175.936.8-36.3000111.5L68 W132 L134P33-L68 HydrophobicContact CG-CD2 3.78Å; P33-W132 WeakPolarHBondContact CD-O 3.3Å; P33-L134 HydrophobicContact CG-CB 4.47Å
34C96.4Very high96.5Very high55 Ų5581.9 Ų81.937%0.37252%0.522SS..SBendtrans-156.6155.4-178.961.40000111L32L32-C34 PolarHBondContact O-N 3.17Å
35E97.2Very high96.6Very high190 Ų19084.1 Ų84.189%0.88855%0.546SS*.  trans-90.9134.1174-169.7174.9172.200110.5
36V96.8Very high96.7Very high74 Ų7490.7 Ų90.745%0.44856%0.558SS.*  trans-109.9115.8173179.90000106.8V38 F63V36-V38 PolarHBondContact O-N 3.29Å; V36-F63 HydrophobicContact CG2-CE1 4.45Å; V36-F63 HydrophobicContact CG2-CZ 4.3Å
37A96.6Very high96.7Very high103 Ų10391.6 Ų91.685%0.85155%0.55SS*.SBendtrans-67.8-9-170.400000115.4
38V96.4Very high96.7Very high114 Ų11489.5 Ų89.569%0.69154%0.536SS*.  trans-115.2123.4-176.2178.80000109V36V36-V38 PolarHBondContact O-N 3.29Å
39D96.1Very high96.7Very high163 Ų16389.5 Ų89.587%0.87253%0.529SS*.  trans-90.6119.9168.3-64.3-42.1000109.6
40G94.9Very high96.6Very high54 Ų5491.4 Ų91.456%0.55754%0.544SS*.SBendtrans167-177.9-178.600000114.1A42G40-A42 PolarHBondContact O-N 2.76Å
41P96.3Very high96.6Very high143 Ų14390.8 Ų90.893%0.92955%0.548SS*.  trans-65.2135.5179.726.9-33.7000111.3
42A95.9Very high96.5Very high70 Ų7089.4 Ų89.458%0.57954%0.541SS*.  trans-130.2140.5177.500000111.1G40 V44G40-A42 PolarHBondContact O-N 2.76Å; A42-V44 HydrophobicContact CB-CG2 4.12Å; A42-V44 PolarHBondContact O-N 3.19Å
43P96.3Very high96.5Very high81 Ų8196 Ų9653%0.52656%0.563SS.*  trans-77.656-179.731.8-35.6000112.9G45 R46 F47P43-G45 VanDerWaalsContact C-N 3.34Å; P43-G45 PolarHBondContact O-N 3.13Å; P43-R46 HydrophobicContact CB-CB 4.32Å; P43-R46 PolarHBondContact O-N 3.34Å; P43-R46 VanDerWaalsContact O-N 3.09Å; P43-F47 HydrophobicContact CB-CD2 4.03Å; P43-F47 HydrophobicContact CB-CE2 4.15Å; P43-F47 HydrophobicContact CG-CD2 3.73Å; P43-F47 HydrophobicContact CG-CE2 3.77Å; P43-F47 PolarHBondContact O-N 3.24Å
44V97Very high96.4Very high61 Ų61100.4 Ų100.437%0.3758%0.578SS.*Hα-helixtrans-57.5-45-176.6-1790000111.4A42 R46 F47 F48 T49A42-V44 HydrophobicContact CB-CG2 4.12Å; A42-V44 PolarHBondContact O-N 3.19Å; V44-R46 PolarHBondContact O-N 3.23Å; V44-R46 VanDerWaalsContact O-N 3.15Å; V44-F47 PolarHBondContact O-N 3.33Å; V44-F48 HydrophobicContact CG1-CB 3.82Å; V44-F48 HydrophobicContact CG1-CD1 4.18Å; V44-F48 HydrophobicContact CG1-CG 4.36Å; V44-F48 WeakPolarHBondContact O-CA 3.46Å; V44-F48 PolarHBondContact O-N 2.72Å; V44-T49 PolarHBondContact O-N 3.49Å; V44-T49 PolarHBondContact O-OG1 3.16Å
45G96.1Very high96.1Very high58 Ų5898.8 Ų98.860%0.59857%0.57SS**Hα-helixtrans-65-16.8179.500000114.7P43 P50P43-G45 VanDerWaalsContact C-N 3.34Å; P43-G45 PolarHBondContact O-N 3.13Å; G45-P50 WeakPolarHBondContact O-CD 3.44Å; G45-P50 WeakPolarHBondContact O-CG 3.46Å
46R96.8Very high95.6Very high197 Ų19796.2 Ų96.274%0.74357%0.57SS**Hα-helixtrans-92.3-37177.4-175.5176.5178.7-178.80.6112.8P43 V44P43-R46 HydrophobicContact CB-CB 4.32Å; P43-R46 PolarHBondContact O-N 3.34Å; P43-R46 VanDerWaalsContact O-N 3.09Å; V44-R46 PolarHBondContact O-N 3.23Å; V44-R46 VanDerWaalsContact O-N 3.15Å
47F96.3Very high95Very high138 Ų13899.7 Ų99.761%0.60558%0.581SS**Hα-helixtrans-111.9-42-170.4-68.3-80.4000113.8P43 V44 A51P43-F47 HydrophobicContact CB-CD2 4.03Å; P43-F47 HydrophobicContact CB-CE2 4.15Å; P43-F47 HydrophobicContact CG-CD2 3.73Å; P43-F47 HydrophobicContact CG-CE2 3.77Å; P43-F47 PolarHBondContact O-N 3.24Å; V44-F47 PolarHBondContact O-N 3.33Å; F47-A51 WeakPolarHBondContact O-CB 3.5Å
48F97.2Very high94.8Very high17 Ų1795.5 Ų95.58%0.07555%0.548CS..THydrogen-bonded Turntrans-91.6-56.8-171.1-168-97.3000111H30 L32 V44 A51 I52 V61 F63 L68 W132H30-F48 HydrophobicContact CB-CE1 4.31Å; H30-F48 AromaticContact CD2-CD1 3.79Å; H30-F48 AromaticContact CD2-CE1 3.64Å; H30-F48 AromaticContact CG-CE1 3.77Å; H30-F48 AromaticContact NE2-CD1 3.89Å; H30-F48 AromaticContact NE2-CE1 3.87Å; L32-F48 HydrophobicContact CD2-CE2 4.15Å; L32-F48 HydrophobicContact CD2-CZ 3.94Å; V44-F48 HydrophobicContact CG1-CB 3.82Å; V44-F48 HydrophobicContact CG1-CD1 4.18Å; V44-F48 HydrophobicContact CG1-CG 4.36Å; V44-F48 WeakPolarHBondContact O-CA 3.46Å; V44-F48 PolarHBondContact O-N 2.72Å; F48-A51 WeakPolarHBondContact O-CB 3.36Å; F48-A51 PolarHBondContact O-N 3.34Å; F48-I52 HydrophobicContact CD1-CD1 4.16Å; F48-I52 HydrophobicContact CD1-CG1 4.46Å; F48-I52 HydrophobicContact CE1-CD1 4.11Å; F48-I52 HydrophobicContact CE1-CG1 4.4Å; F48-I52 PolarHBondContact O-N 2.87Å; F48-V61 HydrophobicContact CD2-CG2 4.05Å; F48-V61 HydrophobicContact CE1-CG1 4.36Å; F48-V61 HydrophobicContact CE2-CB 4.45Å; F48-V61 HydrophobicContact CE2-CG1 3.61Å; F48-V61 HydrophobicContact CE2-CG2 3.95Å; F48-V61 HydrophobicContact CG-CG2 4.49Å; F48-V61 HydrophobicContact CZ-CB 4.48Å; F48-V61 HydrophobicContact CZ-CG1 3.53Å; F48-V61 HydrophobicContact CZ-CG2 4.29Å; F48-F63 HydrophobicContact CD2-CD2 4.24Å; F48-F63 HydrophobicContact CE2-CB 4.36Å; F48-F63 HydrophobicContact CE2-CD2 4.41Å; F48-L68 HydrophobicContact CE2-CD1 4.49Å; F48-W132 AromaticContact CE1-CE2 3.95Å; F48-W132 AromaticContact CE1-CZ2 3.97Å; F48-W132 HydrophobicContact CE1-CZ2 3.97Å; F48-W132 AromaticContact CE1-NE1 3.73Å; F48-W132 HydrophobicContact CZ-CD2 4.35Å; F48-W132 AromaticContact CZ-CE2 3.72Å; F48-W132 AromaticContact CZ-CZ2 3.99Å; F48-W132 HydrophobicContact CZ-CZ2 3.99Å; F48-W132 AromaticContact CZ-NE1 3.6Å
49T96.2Very high94.8Very high72 Ų7291.4 Ų91.444%0.44252%0.522SS..G310 helixtrans-56.3-44.7-176-47.50000113.4V44 A51 I52V44-T49 PolarHBondContact O-N 3.49Å; V44-T49 PolarHBondContact O-OG1 3.16Å; T49-A51 PolarHBondContact O-N 3.14Å; T49-I52 PolarHBondContact O-N 3.48Å
50P96.9Very high94.8Very high92 Ų9286.6 Ų86.660%0.59750%0.495SS*.G310 helixtrans-71-18.5178.6-18.533.9000114G45G45-P50 WeakPolarHBondContact O-CD 3.44Å; G45-P50 WeakPolarHBondContact O-CG 3.46Å
51A96.4Very high95Very high41 Ų4184.2 Ų84.234%0.33947%0.469SS..G310 helixtrans-87.6-8.6179.700000112.9F47 F48 T49 R53 V61F47-A51 WeakPolarHBondContact O-CB 3.5Å; F48-A51 WeakPolarHBondContact O-CB 3.36Å; F48-A51 PolarHBondContact O-N 3.34Å; T49-A51 PolarHBondContact O-N 3.14Å; A51-R53 PolarHBondContact O-N 3.41Å; A51-V61 HydrophobicContact CB-CG2 3.92Å
52I97.3Very high95Very high46 Ų4680.9 Ų80.924%0.23645%0.449CS..  trans-68.9129.4176.7-61.6169.9000109.2F48 T49 L59 E60 V61 W132F48-I52 HydrophobicContact CD1-CD1 4.16Å; F48-I52 HydrophobicContact CD1-CG1 4.46Å; F48-I52 HydrophobicContact CE1-CD1 4.11Å; F48-I52 HydrophobicContact CE1-CG1 4.4Å; F48-I52 PolarHBondContact O-N 2.87Å; T49-I52 PolarHBondContact O-N 3.48Å; I52-L59 HydrophobicContact CG2-CB 4.42Å; I52-L59 HydrophobicContact CG2-CD2 3.98Å; I52-E60 WeakPolarHBondContact CA-O 3.33Å; I52-V61 HydrophobicContact CG1-CB 4.14Å; I52-V61 HydrophobicContact CG1-CG2 4Å; I52-W132 HydrophobicContact CD1-CZ2 4.09Å; I52-W132 HydrophobicContact CG1-CH2 4.22Å; I52-W132 HydrophobicContact CG1-CZ2 4.12Å; I52-W132 HydrophobicContact CG2-CH2 4.17Å
53R96.4Very high95.1Very high187 Ų18780.4 Ų80.471%0.70643%0.434SS*.EExtended strand (participates in β ladder)trans-122141.5179.2-68.6179.9152.5-87.3-4.8110A51 L59 E60A51-R53 PolarHBondContact O-N 3.41Å; R53-L59 CarbonylContact O-C 3.3Å; R53-L59 WeakPolarHBondContact O-CA 3Å; R53-E60 PolarHBondContact N-O 3.4Å; R53-E60 PolarHBondContact O-N 3.32Å
54Q95.6Very high95.1Very high153 Ų15386.9 Ų86.972%0.71545%0.448SS*.EExtended strand (participates in β ladder)trans-81.4115.6167.2-163.672.941.500108.6L59Q54-L59 VanDerWaalsContact OE1-CD2 3.23Å
55G88.9Confident95.1Very high20 Ų2087.5 Ų87.521%0.20647%0.467CS..  trans-101.7176.3171.900000112.1E57 G58G55-E57 VanDerWaalsContact C-N 3.31Å; G55-E57 PolarHBondContact O-N 3.14Å; G55-G58 CarbonylContact C-O 3.57Å; G55-G58 WeakPolarHBondContact CA-O 3.49Å; G55-G58 PolarHBondContact N-O 3.46Å
56P87.3Confident95.1Very high136 Ų13691.1 Ų91.188%0.88346%0.463SS*.SBendtrans-66.8-31.217926.6-33.9000113.1
57E84.7Confident95.1Very high148 Ų14883.4 Ų83.469%0.69244%0.439SS*.SBendtrans-99-7-177.6-62.1-166.1171.800113.7G55 I137G55-E57 VanDerWaalsContact C-N 3.31Å; G55-E57 PolarHBondContact O-N 3.14Å; E57-I137 WeakPolarHBondContact O-CD1 3.32Å
58G91.8Very high95.2Very high15 Ų1577.2 Ų77.216%0.15541%0.412CS..SBendtrans151.5-156.7-17600000112.7G55G55-G58 CarbonylContact C-O 3.57Å; G55-G58 WeakPolarHBondContact CA-O 3.49Å; G55-G58 PolarHBondContact N-O 3.46Å
59L96.5Very high95.2Very high28 Ų2879.2 Ų79.215%0.14742%0.419CS..EExtended strand (participates in β ladder)trans-82.7146.2175.8-61170.2000110.5I52 R53 Q54 R69 G70 T130 W132I52-L59 HydrophobicContact CG2-CB 4.42Å; I52-L59 HydrophobicContact CG2-CD2 3.98Å; R53-L59 CarbonylContact O-C 3.3Å; R53-L59 WeakPolarHBondContact O-CA 3Å; Q54-L59 VanDerWaalsContact OE1-CD2 3.23Å; L59-R69 CarbonylContact O-C 3.56Å; L59-R69 WeakPolarHBondContact O-CA 3.36Å; L59-G70 WeakPolarHBondContact CB-O 3.43Å; L59-G70 PolarHBondContact N-O 3.21Å; L59-G70 PolarHBondContact O-N 3.4Å; L59-T130 HydrophobicContact CD1-CG2 3.68Å; L59-W132 HydrophobicContact CB-CH2 3.67Å; L59-W132 HydrophobicContact CB-CZ3 3.92Å
60E97.1Very high95.2Very high62 Ų6275.8 Ų75.829%0.2940%0.398SS..EExtended strand (participates in β ladder)trans-135135.5177.7-170.8174.2152.700110.5I52 R53 L68 R69I52-E60 WeakPolarHBondContact CA-O 3.33Å; R53-E60 PolarHBondContact N-O 3.4Å; R53-E60 PolarHBondContact O-N 3.32Å; E60-L68 WeakPolarHBondContact CA-O 3.24Å; E60-R69 IonicContact OE2-CZ 3.96Å; E60-R69 IonicContact OE2-NH1 2.58Å; E60-R69 PolarHBondContact OE2-NH1 2.73Å; E60-R69 IonicContact OE2-NH2 3.44Å; E60-R69 PolarHBondContact OE2-NH2 3.06Å
61V97.8Very high95.1Very high3 Ų373.7 Ų73.72%0.01838%0.38CS..EExtended strand (participates in β ladder)trans-152.3156.5176.970.20000109.8F48 A51 I52 L68 W132F48-V61 HydrophobicContact CD2-CG2 4.05Å; F48-V61 HydrophobicContact CE1-CG1 4.36Å; F48-V61 HydrophobicContact CE2-CB 4.45Å; F48-V61 HydrophobicContact CE2-CG1 3.61Å; F48-V61 HydrophobicContact CE2-CG2 3.95Å; F48-V61 HydrophobicContact CG-CG2 4.49Å; F48-V61 HydrophobicContact CZ-CB 4.48Å; F48-V61 HydrophobicContact CZ-CG1 3.53Å; F48-V61 HydrophobicContact CZ-CG2 4.29Å; A51-V61 HydrophobicContact CB-CG2 3.92Å; I52-V61 HydrophobicContact CG1-CB 4.14Å; I52-V61 HydrophobicContact CG1-CG2 4Å; V61-L68 HydrophobicContact CG1-CB 3.96Å; V61-L68 HydrophobicContact CG1-CD1 4.25Å; V61-L68 PolarHBondContact N-O 3.11Å; V61-L68 WeakPolarHBondContact O-CA 3.33Å; V61-L68 WeakPolarHBondContact O-CB 3.38Å; V61-L68 PolarHBondContact O-N 2.91Å; V61-W132 HydrophobicContact CB-CH2 3.84Å; V61-W132 HydrophobicContact CB-CZ2 4.42Å; V61-W132 HydrophobicContact CB-CZ3 4.06Å; V61-W132 HydrophobicContact CG1-CD2 4.04Å; V61-W132 HydrophobicContact CG1-CE3 3.7Å; V61-W132 HydrophobicContact CG1-CH2 3.42Å; V61-W132 VanDerWaalsContact CG1-CH2 3.42Å; V61-W132 HydrophobicContact CG1-CZ2 3.76Å; V61-W132 HydrophobicContact CG1-CZ3 3.4Å
62S97.3Very high95.1Very high74 Ų7477.6 Ų77.652%0.51739%0.391SS..EExtended strand (participates in β ladder)trans-106.8127.6173.7-67.30000111.1R66S62-R66 CarbonylContact C-O 3.5Å; S62-R66 VanDerWaalsContact CA-O 3.27Å; S62-R66 WeakPolarHBondContact CA-O 3.26Å
63F97.6Very high95Very high59 Ų5976 Ų7626%0.25938%0.384SS..EExtended strand (participates in β ladder)trans-119.7124.3172.1-173.6-110.5000109.8L32 V36 F48 G65 R66 L68L32-F63 HydrophobicContact CD1-CE1 4.32Å; L32-F63 HydrophobicContact CD1-CZ 4.32Å; V36-F63 HydrophobicContact CG2-CE1 4.45Å; V36-F63 HydrophobicContact CG2-CZ 4.3Å; F48-F63 HydrophobicContact CD2-CD2 4.24Å; F48-F63 HydrophobicContact CE2-CB 4.36Å; F48-F63 HydrophobicContact CE2-CD2 4.41Å; F63-G65 PolarHBondContact O-N 3.02Å; F63-G65 VanDerWaalsContact O-N 3.17Å; F63-R66 PolarHBondContact N-O 3.29Å; F63-R66 PolarHBondContact O-N 3.41Å; F63-L68 HydrophobicContact CB-CD1 3.68Å; F63-L68 HydrophobicContact CB-CG 4.29Å
64R96.2Very high95Very high217 Ų21770.4 Ų70.482%0.81938%0.378SS*.THydrogen-bonded Turntrans5334.7-176.2-60.2-70.6-170.1142.61.5113.4R66R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.46Å
65G96.1Very high95.1Very high75 Ų7564.5 Ų64.577%0.77335%0.352SS*.THydrogen-bonded Turntrans78.74.1-178.900000115F63F63-G65 PolarHBondContact O-N 3.02Å; F63-G65 VanDerWaalsContact O-N 3.17Å
66R97.2Very high95.4Very high134 Ų13464.9 Ų64.951%0.50635%0.351SS..EExtended strand (participates in β ladder)trans-102.6135.5177.5-55.2-179.372.4-172.86.9110.2S62 F63 R64 L134S62-R66 CarbonylContact C-O 3.5Å; S62-R66 VanDerWaalsContact CA-O 3.27Å; S62-R66 WeakPolarHBondContact CA-O 3.26Å; F63-R66 PolarHBondContact N-O 3.29Å; F63-R66 PolarHBondContact O-N 3.41Å; R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.46Å; R66-L134 HydrophobicContact CB-CD1 4.27Å
67C96.4Very high95.7Very high35 Ų3564.8 Ų64.824%0.23635%0.35CS..EExtended strand (participates in β ladder)trans-71.8127.3176.4-179.40000110E135C67-E135 PolarHBondContact O-N 3Å
68L97.7Very high96.2Very high7 Ų761.9 Ų61.94%0.03736%0.36CS..EExtended strand (participates in β ladder)trans-113.3134.7171.2-54.7-176.1000108.7L32 P33 F48 E60 V61 F63 W132 G133 L134L32-L68 HydrophobicContact CD2-CD1 4.11Å; P33-L68 HydrophobicContact CG-CD2 3.78Å; F48-L68 HydrophobicContact CE2-CD1 4.49Å; E60-L68 WeakPolarHBondContact CA-O 3.24Å; V61-L68 HydrophobicContact CG1-CB 3.96Å; V61-L68 HydrophobicContact CG1-CD1 4.25Å; V61-L68 PolarHBondContact N-O 3.11Å; V61-L68 WeakPolarHBondContact O-CA 3.33Å; V61-L68 WeakPolarHBondContact O-CB 3.38Å; V61-L68 PolarHBondContact O-N 2.91Å; F63-L68 HydrophobicContact CB-CD1 3.68Å; F63-L68 HydrophobicContact CB-CG 4.29Å; L68-W132 HydrophobicContact CB-CB 4.46Å; L68-W132 HydrophobicContact CB-CD2 4.47Å; L68-W132 HydrophobicContact CB-CE3 3.86Å; L68-W132 HydrophobicContact CD1-CB 4.29Å; L68-G133 CarbonylContact C-O 3.58Å; L68-G133 VanDerWaalsContact CA-O 3.24Å; L68-G133 WeakPolarHBondContact CA-O 3.43Å; L68-L134 HydrophobicContact CD2-CD1 4.38Å
69R97.1Very high96.4Very high60 Ų6065.5 Ų65.523%0.22638%0.375CS..EExtended strand (participates in β ladder)trans-111136.7168.3-67.5-164-175.2-79.2-9.7109.2L59 E60 G133 E135 I137L59-R69 CarbonylContact O-C 3.56Å; L59-R69 WeakPolarHBondContact O-CA 3.36Å; E60-R69 IonicContact OE2-CZ 3.96Å; E60-R69 IonicContact OE2-NH1 2.58Å; E60-R69 PolarHBondContact OE2-NH1 2.73Å; E60-R69 IonicContact OE2-NH2 3.44Å; E60-R69 PolarHBondContact OE2-NH2 3.06Å; R69-G133 PolarHBondContact N-O 3.49Å; R69-G133 PolarHBondContact O-N 2.95Å; R69-E135 WeakPolarHBondContact CD-O 3.26Å; R69-E135 WeakPolarHBondContact CG-O 3.35Å; R69-E135 PolarHBondContact NE-O 3.38Å; R69-I137 HydrophobicContact CB-CG1 3.71Å
70G96.2Very high96.3Very high0 Ų068.2 Ų68.20%039%0.393CS..EExtended strand (participates in β ladder)trans-143.7169.6-17500000113.4L59 L131L59-G70 WeakPolarHBondContact CB-O 3.43Å; L59-G70 PolarHBondContact N-O 3.21Å; L59-G70 PolarHBondContact O-N 3.4Å; G70-L131 CarbonylContact C-O 3.56Å; G70-L131 WeakPolarHBondContact CA-O 3.4Å
71E95.6Very high96.3Very high47 Ų4765.7 Ų65.722%0.2238%0.383CS..EExtended strand (participates in β ladder)trans-140.6159.8176.975.3-164.4125.800109.3V73 T130 L131 I137 R145E71-V73 HydrophobicContact CG-CG2 3.93Å; E71-T130 WeakPolarHBondContact O-CA 3.5Å; E71-T130 WeakPolarHBondContact O-CG2 3.42Å; E71-L131 PolarHBondContact N-O 3.34Å; E71-L131 PolarHBondContact O-N 2.83Å; E71-I137 HydrophobicContact CB-CG2 4.13Å; E71-I137 HydrophobicContact CG-CG2 4.13Å; E71-I137 WeakPolarHBondContact OE1-CG2 3.27Å; E71-R145 IonicContact OE1-CZ 3.74Å; E71-R145 IonicContact OE1-NH2 2.76Å; E71-R145 PolarHBondContact OE1-NH2 3.25Å; E71-R145 IonicContact OE2-CZ 3.34Å; E71-R145 IonicContact OE2-NH1 2.87Å; E71-R145 IonicContact OE2-NH2 3.59Å; E71-R145 PolarHBondContact OE2-NH2 2.89Å
72E95.8Very high96.4Very high123 Ų12369 Ų6958%0.57540%0.396SS*.EExtended strand (participates in β ladder)trans-85.8125.8173.4-165.717916200110H128E72-H128 HydrophobicContact CG-CB 4.1Å; E72-H128 IonicContact OE1-CD2 2.87Å; E72-H128 PolarHBondContact OE1-CD2 3.07Å; E72-H128 IonicContact OE1-CE1 3.36Å; E72-H128 IonicContact OE1-CG 3.97Å; E72-H128 IonicContact OE1-ND1 3.68Å; E72-H128 IonicContact OE1-NE2 3.07Å; E72-H128 PolarHBondContact OE1-NE2 2.82Å
73V96.1Very high96.3Very high14 Ų1467.8 Ų67.89%0.08539%0.385CS..EExtended strand (participates in β ladder)trans-113.6118.9179.5-177.70000108.7E71 H128 F129 L131 L148E71-V73 HydrophobicContact CG-CG2 3.93Å; V73-H128 CarbonylContact O-C 3.56Å; V73-H128 VanDerWaalsContact O-CA 3.26Å; V73-H128 WeakPolarHBondContact O-CA 3.48Å; V73-F129 HydrophobicContact CB-CD1 4.47Å; V73-F129 HydrophobicContact CB-CE1 4.02Å; V73-F129 HydrophobicContact CB-CE2 4.34Å; V73-F129 HydrophobicContact CB-CZ 3.95Å; V73-F129 HydrophobicContact CG1-CE1 3.93Å; V73-F129 HydrophobicContact CG1-CZ 3.94Å; V73-F129 PolarHBondContact N-O 2.83Å; V73-F129 PolarHBondContact O-N 2.9Å; V73-L131 HydrophobicContact CG2-CB 3.7Å; V73-L131 HydrophobicContact CG2-CD2 4.16Å; V73-L148 HydrophobicContact CG1-CD1 3.51Å
74A96.6Very high96.3Very high69 Ų6969.4 Ų69.457%0.5739%0.394SS*.EExtended strand (participates in β ladder)trans-73.9146.8175.800000111.5
75V96.8Very high96.2Very high28 Ų2862.7 Ų62.717%0.1738%0.378CS..PPolyproline II helixtrans-64141.6166.5174.60000108.5L79 F126 S127V75-L79 HydrophobicContact CG1-CB 3.8Å; V75-F126 HydrophobicContact CG2-CD2 3.83Å; V75-F126 HydrophobicContact CG2-CE2 3.71Å; V75-S127 WeakPolarHBondContact CB-O 3.43Å; V75-S127 WeakPolarHBondContact CG2-O 3.32Å; V75-S127 PolarHBondContact N-O 3.01Å
76P96.4Very high96Very high29 Ų2962.9 Ų62.919%0.18836%0.364CS..PPolyproline II helixtrans-61.4151.5-176.4-17.329.2000111.8G78 L79 L148P76-G78 PolarHBondContact O-N 3.38Å; P76-L79 HydrophobicContact CB-CD1 3.95Å; P76-L79 HydrophobicContact CG-CD1 4.04Å; P76-L79 WeakPolarHBondContact O-CB 3.44Å; P76-L79 PolarHBondContact O-N 2.84Å; P76-L79 VanDerWaalsContact O-N 3.16Å; P76-L148 HydrophobicContact CG-CB 4.12Å; P76-L148 HydrophobicContact CG-CD2 4.11Å; P76-L148 WeakPolarHBondContact CG-O 3.44Å
77P93.6Very high95.4Very high133 Ų13360.2 Ų60.286%0.86436%0.357SS*.THydrogen-bonded Turntrans-61139.9-173.825.7-35000111.7L79P77-L79 VanDerWaalsContact C-N 3.26Å; P77-L79 PolarHBondContact O-N 3.3Å
78G94.5Very high94.2Very high88 Ų8867 Ų6791%0.90739%0.385SS*.THydrogen-bonded Turntrans795.4-177.600000114.6P76P76-G78 PolarHBondContact O-N 3.38Å
79L96Very high92.4Very high90 Ų9074.5 Ų74.547%0.47142%0.418SS..  trans-116.7159.5173.3-63.2165.8000110.8V75 P76 P77 P151V75-L79 HydrophobicContact CG1-CB 3.8Å; P76-L79 HydrophobicContact CB-CD1 3.95Å; P76-L79 HydrophobicContact CG-CD1 4.04Å; P76-L79 WeakPolarHBondContact O-CB 3.44Å; P76-L79 PolarHBondContact O-N 2.84Å; P76-L79 VanDerWaalsContact O-N 3.16Å; P77-L79 VanDerWaalsContact C-N 3.26Å; P77-L79 PolarHBondContact O-N 3.3Å; L79-P151 HydrophobicContact CD1-CB 3.63Å; L79-P151 HydrophobicContact CD1-CG 3.78Å
80V95.4Very high89.9Confident86 Ų8680.1 Ų80.152%0.52145%0.446SS..  trans-133.2139.7173.7580000108.8Y82V80-Y82 HydrophobicContact CB-CE2 4.36Å; V80-Y82 HydrophobicContact CG1-CD2 4.07Å; V80-Y82 HydrophobicContact CG1-CE2 3.41Å; V80-Y82 VanDerWaalsContact CG1-CE2 3.41Å; V80-Y82 HydrophobicContact CG2-CE2 4.05Å
81G97.1Very high87.4Confident8 Ų885.9 Ų85.98%0.08248%0.482CS..EExtended strand (participates in β ladder)trans-89.1138.1175.900000111.6S125 F126G81-S125 CarbonylContact O-C 3.51Å; G81-S125 VanDerWaalsContact O-CA 3.31Å; G81-S125 WeakPolarHBondContact O-CA 3.47Å; G81-F126 VanDerWaalsContact C-CD1 3.49Å; G81-F126 VanDerWaalsContact C-CE1 3.44Å; G81-F126 VanDerWaalsContact CA-CE1 3.43Å; G81-F126 WeakPolarHBondContact CA-O 3.22Å; G81-F126 PolarHBondContact N-O 3.32Å; G81-F126 PolarHBondContact O-N 3.44Å
82Y97.9Very high84.8Confident74 Ų7488.8 Ų88.829%0.2951%0.507SS..EExtended strand (participates in β ladder)trans-130142.7172.8-73.5-75.1000110.8L21 A24 V80 A122 A124L21-Y82 HydrophobicContact CB-CE1 4.29Å; L21-Y82 HydrophobicContact CD2-CD1 4.05Å; L21-Y82 HydrophobicContact CD2-CD2 3.97Å; L21-Y82 HydrophobicContact CD2-CE1 3.96Å; L21-Y82 HydrophobicContact CD2-CE2 3.87Å; L21-Y82 HydrophobicContact CD2-CG 4.04Å; L21-Y82 VanDerWaalsContact O-CE1 3.31Å; L21-Y82 WeakPolarHBondContact O-CE1 3.38Å; L21-Y82 PolarHBondContact O-OH 3.39Å; A24-Y82 HydrophobicContact CB-CD1 4.08Å; A24-Y82 HydrophobicContact CB-CE1 3.92Å; V80-Y82 HydrophobicContact CB-CE2 4.36Å; V80-Y82 HydrophobicContact CG1-CD2 4.07Å; V80-Y82 HydrophobicContact CG1-CE2 3.41Å; V80-Y82 VanDerWaalsContact CG1-CE2 3.41Å; V80-Y82 HydrophobicContact CG2-CE2 4.05Å; Y82-A122 HydrophobicContact CD1-CB 3.77Å; Y82-A122 HydrophobicContact CE1-CB 4.38Å; Y82-A122 HydrophobicContact CG-CB 4.37Å; Y82-A124 WeakPolarHBondContact CA-O 3.39Å
83V97.3Very high81.9Confident47 Ų4791.3 Ų91.329%0.28552%0.521SS..EExtended strand (participates in β ladder)trans-95.9118.9165.7-176.80000107.1V27 L29 A122 T123 A124 F126V27-V83 HydrophobicContact CG1-CG2 4.2Å; L29-V83 HydrophobicContact CD1-CG2 4.4Å; L29-V83 HydrophobicContact CD2-CG2 4.33Å; V83-A122 CarbonylContact O-C 3.59Å; V83-A122 WeakPolarHBondContact O-CA 3.26Å; V83-T123 PolarHBondContact O-N 2.89Å; V83-T123 PolarHBondContact O-OG1 2.76Å; V83-A124 HydrophobicContact CB-CB 4.21Å; V83-A124 HydrophobicContact CG2-CB 4.26Å; V83-A124 PolarHBondContact N-O 3.01Å; V83-F126 HydrophobicContact CG2-CD1 4.47Å
84M96.3Very high79.3Confident93 Ų9393.7 Ų93.746%0.45855%0.548SS..EExtended strand (participates in β ladder)trans-110138.4-175.8-63.5-173.4-179.100110.9L16 I120 G121L16-M84 HydrophobicContact CD1-CE 4.34Å; L16-M84 HydrophobicContact CD1-SD 4.42Å; M84-I120 HydrophobicContact CB-CD1 3.65Å; M84-I120 HydrophobicContact CB-CG1 3.92Å; M84-I120 HydrophobicContact CG-CD1 4.49Å; M84-I120 HydrophobicContact SD-CD1 4.18Å; M84-G121 CarbonylContact C-O 3.54Å; M84-G121 VanDerWaalsContact CA-O 3.3Å; M84-G121 WeakPolarHBondContact CA-O 3.33Å
85V94.7Very high76.5Confident77 Ų7799 Ų9947%0.46756%0.558SS.*EExtended strand (participates in β ladder)trans-128.6131.4177.2179.40000108.8I120 G121 T123V85-I120 WeakPolarHBondContact O-CG1 3.31Å; V85-G121 PolarHBondContact N-O 3.35Å; V85-G121 PolarHBondContact O-N 3.48Å; V85-T123 HydrophobicContact CB-CG2 3.82Å; V85-T123 HydrophobicContact CG2-CG2 3.53Å
86T91.6Very high73.7Confident79 Ų79103 Ų10349%0.48559%0.585SS.*EExtended strand (participates in β ladder)trans-71.7133.5175.7-51.90000109.4E88T86-E88 PolarHBondContact O-N 3.46Å
87E84.1Confident71Confident78 Ų78108.7 Ų108.736%0.36461%0.614SS.*EExtended strand (participates in β ladder)trans-83.8108.6173.4-67.2176.9-167.200108.6R17 K89 F119R17-E87 WeakPolarHBondContact CD-OE1 3.39Å; R17-E87 IonicContact CZ-OE1 3.27Å; R17-E87 IonicContact CZ-OE2 3.29Å; R17-E87 VanDerWaalsContact CZ-OE2 3.27Å; R17-E87 IonicContact NE-OE1 3.78Å; R17-E87 PolarHBondContact NE-OE1 3.01Å; R17-E87 IonicContact NE-OE2 2.82Å; R17-E87 PolarHBondContact NE-OE2 3.49Å; R17-E87 IonicContact NH2-OE2 2.76Å; R17-E87 PolarHBondContact NH2-OE2 2.84Å; E87-K89 PolarHBondContact O-N 3.27Å; E87-F119 HydrophobicContact CB-CB 4.32Å; E87-F119 PolarHBondContact N-O 2.87Å
88E71.3Confident69Low177 Ų177113.5 Ų113.583%0.82762%0.615SS**  trans-80.3108.1166.9-64.1-172.9-178.400107.6T86 E90T86-E88 PolarHBondContact O-N 3.46Å; E88-E90 PolarHBondContact O-N 3.22Å
89K61.1Low67.2Low165 Ų165116.8 Ų116.872%0.71761%0.611SS**  trans-68.4101.1171.4-157.1176.9-171.2175.70106.4E87 V91E87-K89 PolarHBondContact O-N 3.27Å; K89-V91 PolarHBondContact O-N 2.88Å
90E44.3Very low64.6Low177 Ų177124.2 Ų124.283%0.82763%0.632SS**  trans-57.5107163.2-72.9-170172.700106.4E88 S92E88-E90 PolarHBondContact O-N 3.22Å; E90-S92 PolarHBondContact O-N 3.24Å
91V43.3Very low62.3Low122 Ų122127 Ų12774%0.73964%0.644SS**  trans-67.181.6169177.50000105.7K89 M93K89-V91 PolarHBondContact O-N 2.88Å; V91-M93 HydrophobicContact CG1-CG 4.24Å; V91-M93 PolarHBondContact O-N 3.37Å
92S40.4Very low60Low108 Ų108131.7 Ų131.776%0.75568%0.676SS**  trans-59.498.1155.449.80000105.1E90 G94E90-S92 PolarHBondContact O-N 3.24Å; S92-G94 PolarHBondContact O-N 2.9Å
93M35.7Very low57.5Low176 Ų176131.5 Ų131.587%0.86770%0.697SS**  trans-63.774.7158.1-89.3-142.2-68.700107V91 K95V91-M93 HydrophobicContact CG1-CG 4.24Å; V91-M93 PolarHBondContact O-N 3.37Å; M93-K95 VanDerWaalsContact C-N 3.31Å; M93-K95 PolarHBondContact O-N 3.42Å
94G40.4Very low54.6Low63 Ų63136.1 Ų136.165%0.64973%0.725SS**  trans-61.1101.9154.300000106.2S92S92-G94 PolarHBondContact O-N 2.9Å
95K37.8Very low52Low180 Ų180138.5 Ų138.578%0.78374%0.74SS**  trans-31.3122.7167.3-172.2-178.4-179.4-171.20110M93 D97M93-K95 VanDerWaalsContact C-N 3.31Å; M93-K95 PolarHBondContact O-N 3.42Å; K95-D97 PolarHBondContact O-N 2.82Å
96P38.8Very low49.6Very low113 Ų113141.7 Ų141.773%0.73475%0.754SS**  trans-71.7101.3175.128.3-29.6000106.9R98P96-R98 PolarHBondContact O-N 2.77Å
97D39.8Very low47.3Very low148 Ų148147 Ų14779%0.79177%0.773SS**  trans-72.2100.7170.1-155.29.8000107.4K95 L99K95-D97 PolarHBondContact O-N 2.82Å; D97-L99 PolarHBondContact O-N 2.92Å
98R50.7Low45.5Very low234 Ų234152.3 Ų152.388%0.88380%0.798SS**  trans-72.280.7174.4-71.2-177.7173.4166.1-1.7108.6P96P96-R98 PolarHBondContact O-N 2.77Å
99L56.8Low44.3Very low158 Ų158152 Ų15283%0.82780%0.797SS**  trans-178.1100.2144.8-159.168000111.3D97D97-L99 PolarHBondContact O-N 2.92Å
100R42.2Very low43.6Very low245 Ų245148.5 Ų148.593%0.92579%0.793SS**  trans-157.4102.4145.1-148.1169.5174.8-168.4-4.5111.9
101D46.1Very low43.6Very low144 Ų144144 Ų14477%0.7778%0.779SS**  trans-79.2165.5163.9175.836.7000110.4
102S50.4Low43.9Very low108 Ų108143.9 Ų143.976%0.75577%0.774SS**  trans91.6107.8178.9-640000117.4
103G44Very low44.5Very low70 Ų70144 Ų14472%0.72276%0.762SS**  trans-85.3164.9176.700000115.1
104T37.8Very low45.4Very low144 Ų144146 Ų14688%0.88376%0.76SS**  trans178131145.426.90000108.5
105D41.2Very low46.3Very low143 Ų143147.2 Ų147.277%0.76575%0.752SS**SBendtrans48.9136.5154.9-95.8-10.1000123.9
106D43.3Very low47.5Very low144 Ų144141.6 Ų141.677%0.7773%0.728SS**  trans58.968.1155.4-54.6-31.4000117.6
107Q44.3Very low49Very low189 Ų189141.8 Ų141.888%0.88372%0.722SS**  trans-104.3111.4149.7-79.1-178.354.800108.2E109Q107-E109 VanDerWaalsContact C-N 3.29Å; Q107-E109 PolarHBondContact O-N 2.99Å
108E46.6Very low51.2Low191 Ų191139.7 Ų139.789%0.89370%0.703SS**  trans-49.3102.5159.7-62177.4-169.400107.3S110E108-S110 PolarHBondContact O-N 3.04Å; E108-S110 VanDerWaalsContact O-N 3.16Å
109E44.4Very low53Low170 Ų170130 Ų13079%0.79467%0.667SS**  trans-44.4120171.1-112.4-175.6-169.900108.1Q107 P111Q107-E109 VanDerWaalsContact C-N 3.29Å; Q107-E109 PolarHBondContact O-N 2.99Å; E109-P111 HydrophobicContact CB-CG 3.41Å; E109-P111 VanDerWaalsContact CB-CG 3.41Å; E109-P111 HydrophobicContact CG-CG 3.73Å; E109-P111 WeakPolarHBondContact O-CD 3.31Å
110S48Very low54.8Low91 Ų91124.1 Ų124.164%0.63664%0.637SS**  trans-103.369.8161.455.50000108.3E108 L112E108-S110 PolarHBondContact O-N 3.04Å; E108-S110 VanDerWaalsContact O-N 3.16Å; S110-L112 PolarHBondContact O-N 3.44Å
111P43.3Very low57.3Low82 Ų82112.8 Ų112.853%0.53260%0.596SS.*THydrogen-bonded Turntrans-8110.5-157.6-18.538.6000114.8E109E109-P111 HydrophobicContact CB-CG 3.41Å; E109-P111 VanDerWaalsContact CB-CG 3.41Å; E109-P111 HydrophobicContact CG-CG 3.73Å; E109-P111 WeakPolarHBondContact O-CD 3.31Å
112L50.5Low59.7Low121 Ų121106.3 Ų106.363%0.63456%0.563SS**THydrogen-bonded Turntrans-132.7-7.3-170.9-59.1174.6000115S110 R114 F116S110-L112 PolarHBondContact O-N 3.44Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 2.97Å; L112-F116 HydrophobicContact CB-CE2 4.36Å; L112-F116 WeakPolarHBondContact O-CD2 3.21Å; L112-F116 WeakPolarHBondContact O-CE2 3.49Å
113E52.9Low61.9Low109 Ų109105 Ų10551%0.50955%0.55SS.*THydrogen-bonded Turntrans-80.7-12.1-179.1-68.5-162.9150.300114R17R17-E113 IonicContact NH1-OE1 2.83Å
114R54.3Low64.4Low220 Ų220102.3 Ų102.383%0.8352%0.521SS*.THydrogen-bonded Turntrans-77.3-23-177.2-95.4176.558.6-136.1-7.8114.3L112L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 2.97Å
115D58.6Low67.3Low87 Ų8796.5 Ų96.547%0.46549%0.486SS..SBendtrans-97.2-5-176.5-60.3-23.2000112.6D117D115-D117 PolarHBondContact O-N 2.87Å
116F63Low70Confident63 Ų6391.7 Ų91.728%0.27646%0.458SS..  trans-93.6103.9176.2-59.7-45.3000111.1H15 L112 F119H15-F116 AromaticContact CD2-CD1 3.44Å; H15-F116 VanDerWaalsContact CD2-CD1 3.44Å; H15-F116 WeakPolarHBondContact CD2-CD1 3.42Å; H15-F116 AromaticContact CD2-CG 3.76Å; H15-F116 AromaticContact CE1-CD1 3.1Å; H15-F116 WeakPolarHBondContact CE1-CD1 3.22Å; H15-F116 AromaticContact CE1-CE1 3.05Å; H15-F116 WeakPolarHBondContact CE1-CE1 3.46Å; H15-F116 AromaticContact CE1-CG 3.94Å; H15-F116 AromaticContact CE1-CZ 3.86Å; H15-F116 AromaticContact CG-CD1 3.77Å; H15-F116 AromaticContact CG-CG 3.85Å; H15-F116 AromaticContact ND1-CD1 3.57Å; H15-F116 AromaticContact ND1-CE1 3.61Å; H15-F116 AromaticContact ND1-CG 3.95Å; H15-F116 AromaticContact NE2-CD1 3.05Å; H15-F116 WeakPolarHBondContact NE2-CD1 3.25Å; H15-F116 AromaticContact NE2-CE1 3.5Å; H15-F116 AromaticContact NE2-CG 3.87Å; L112-F116 HydrophobicContact CB-CE2 4.36Å; L112-F116 WeakPolarHBondContact O-CD2 3.21Å; L112-F116 WeakPolarHBondContact O-CE2 3.49Å; F116-F119 HydrophobicContact CB-CE1 4.21Å; F116-F119 HydrophobicContact CB-CE2 3.54Å; F116-F119 HydrophobicContact CB-CZ 3.36Å; F116-F119 HydrophobicContact CD2-CE1 4.37Å; F116-F119 AromaticContact CD2-CZ 3.85Å; F116-F119 HydrophobicContact CD2-CZ 3.85Å; F116-F119 HydrophobicContact CG-CZ 4.02Å; F116-F119 WeakPolarHBondContact O-CE2 3.49Å
117D71.5Confident72.5Confident117 Ų11788.7 Ų88.763%0.62645%0.449SS*.  trans-75.7-22.9-177.1-81.6-16.9000114D115D115-D117 PolarHBondContact O-N 2.87Å
118R85.8Confident75Confident104 Ų10483 Ų8339%0.39242%0.422SS..  trans-138.5126.3-175.2-68-175.7-63-169.1-1.2113R11 R13 V14 H15R11-R118 PolarHBondContact O-NH2 2.92Å; R13-R118 PolarHBondContact O-NH2 3.18Å; V14-R118 WeakPolarHBondContact CA-O 3.34Å; V14-R118 HydrophobicContact CG1-CB 4.45Å; V14-R118 HydrophobicContact CG2-CB 4.21Å; H15-R118 PolarHBondContact N-O 3.44Å
119F88.9Confident77.4Confident29 Ų2975 Ų7513%0.12739%0.385CS..EExtended strand (participates in β ladder)trans-117.4150.9175.5-71.2-88.4000111.7H15 R17 E87 F116H15-F119 HydrophobicContact CB-CD1 3.61Å; H15-F119 HydrophobicContact CB-CE1 3.64Å; H15-F119 HydrophobicContact CB-CG 4.4Å; H15-F119 HydrophobicContact CB-CZ 4.46Å; H15-F119 CarbonylContact O-C 3.53Å; H15-F119 VanDerWaalsContact O-CA 3.25Å; H15-F119 WeakPolarHBondContact O-CA 3.4Å; R17-F119 HydrophobicContact CG-CD1 4.07Å; E87-F119 HydrophobicContact CB-CB 4.32Å; E87-F119 PolarHBondContact N-O 2.87Å; F116-F119 HydrophobicContact CB-CE1 4.21Å; F116-F119 HydrophobicContact CB-CE2 3.54Å; F116-F119 HydrophobicContact CB-CZ 3.36Å; F116-F119 HydrophobicContact CD2-CE1 4.37Å; F116-F119 AromaticContact CD2-CZ 3.85Å; F116-F119 HydrophobicContact CD2-CZ 3.85Å; F116-F119 HydrophobicContact CG-CZ 4.02Å; F116-F119 WeakPolarHBondContact O-CE2 3.49Å
120I94.6Very high80Confident36 Ų3667.7 Ų67.719%0.18535%0.351CS..EExtended strand (participates in β ladder)trans-130138.6170.5-167.1172.5000108.6V14 H15 L16 R17 M84 V85V14-I120 HydrophobicContact CG1-CB 3.89Å; V14-I120 HydrophobicContact CG1-CG2 3.83Å; H15-I120 PolarHBondContact O-N 2.79Å; L16-I120 WeakPolarHBondContact CA-O 3.43Å; L16-I120 HydrophobicContact CB-CG2 4.26Å; L16-I120 HydrophobicContact CD1-CG2 3.96Å; R17-I120 PolarHBondContact N-O 2.92Å; M84-I120 HydrophobicContact CB-CD1 3.65Å; M84-I120 HydrophobicContact CB-CG1 3.92Å; M84-I120 HydrophobicContact CG-CD1 4.49Å; M84-I120 HydrophobicContact SD-CD1 4.18Å; V85-I120 WeakPolarHBondContact O-CG1 3.31Å
121G94.5Very high82.3Confident6 Ų663.8 Ų63.86%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-125.9151.2-179.200000111.7T20 M84 V85T20-G121 WeakPolarHBondContact OG1-CA 3.43Å; M84-G121 CarbonylContact C-O 3.54Å; M84-G121 VanDerWaalsContact CA-O 3.3Å; M84-G121 WeakPolarHBondContact CA-O 3.33Å; V85-G121 PolarHBondContact N-O 3.35Å; V85-G121 PolarHBondContact O-N 3.48Å
122A96.4Very high84.9Confident9 Ų960 Ų607%0.07430%0.299CS..EExtended strand (participates in β ladder)trans-82.8121.6169.700000110.2T20 L21 A24 Y82 V83T20-A122 WeakPolarHBondContact CB-O 3.44Å; T20-A122 PolarHBondContact OG1-N 3Å; L21-A122 HydrophobicContact CD2-CB 3.84Å; A24-A122 HydrophobicContact CB-CB 4.13Å; Y82-A122 HydrophobicContact CD1-CB 3.77Å; Y82-A122 HydrophobicContact CE1-CB 4.38Å; Y82-A122 HydrophobicContact CG-CB 4.37Å; V83-A122 CarbonylContact O-C 3.59Å; V83-A122 WeakPolarHBondContact O-CA 3.26Å
123T95.8Very high87.1Confident81 Ų8154.6 Ų54.650%0.49727%0.271SS..EExtended strand (participates in β ladder)trans-91.6-30.5177.354.20000111.9V83 V85V83-T123 PolarHBondContact O-N 2.89Å; V83-T123 PolarHBondContact O-OG1 2.76Å; V85-T123 HydrophobicContact CB-CG2 3.82Å; V85-T123 HydrophobicContact CG2-CG2 3.53Å
124A97.1Very high89.2Confident12 Ų1252.4 Ų52.410%0.09926%0.263CS..EExtended strand (participates in β ladder)trans-151.2161.2-179.900000112.2A25 V27 Y82 V83A25-A124 CarbonylContact O-C 3.57Å; A25-A124 WeakPolarHBondContact O-CA 3.15Å; A25-A124 WeakPolarHBondContact O-CB 3.46Å; V27-A124 HydrophobicContact CB-CB 3.78Å; V27-A124 HydrophobicContact CG1-CB 3.5Å; Y82-A124 WeakPolarHBondContact CA-O 3.39Å; V83-A124 HydrophobicContact CB-CB 4.21Å; V83-A124 HydrophobicContact CG2-CB 4.26Å; V83-A124 PolarHBondContact N-O 3.01Å
125S97.6Very high91Very high23 Ų2347.9 Ų47.916%0.16125%0.251CS..EExtended strand (participates in β ladder)trans-123.9154.8176.663.60000111.1A24 A25 P26 V27 G81A24-S125 PolarHBondContact O-OG 2.97Å; A25-S125 PolarHBondContact O-N 3.48Å; P26-S125 CarbonylContact C-O 3.58Å; P26-S125 VanDerWaalsContact CA-O 3.26Å; P26-S125 WeakPolarHBondContact CA-O 3.42Å; V27-S125 PolarHBondContact N-O 2.95Å; G81-S125 CarbonylContact O-C 3.51Å; G81-S125 VanDerWaalsContact O-CA 3.31Å; G81-S125 WeakPolarHBondContact O-CA 3.47Å
126F97.9Very high92.7Very high41 Ų4148.4 Ų48.418%0.1826%0.258CS..EExtended strand (participates in β ladder)trans-150.3147176.466.8-83.4000111.9L29 V75 G81 V83 F129L29-F126 HydrophobicContact CD1-CB 4.23Å; L29-F126 HydrophobicContact CD1-CD1 3.34Å; L29-F126 HydrophobicContact CD1-CD2 3.82Å; L29-F126 HydrophobicContact CD1-CE1 3.45Å; L29-F126 VanDerWaalsContact CD1-CE1 3.45Å; L29-F126 HydrophobicContact CD1-CE2 3.92Å; L29-F126 HydrophobicContact CD1-CG 3.53Å; L29-F126 HydrophobicContact CD1-CZ 3.74Å; L29-F126 HydrophobicContact CG-CD1 4.41Å; L29-F126 HydrophobicContact CG-CG 4.37Å; V75-F126 HydrophobicContact CG2-CD2 3.83Å; V75-F126 HydrophobicContact CG2-CE2 3.71Å; G81-F126 VanDerWaalsContact C-CD1 3.49Å; G81-F126 VanDerWaalsContact C-CE1 3.44Å; G81-F126 VanDerWaalsContact CA-CE1 3.43Å; G81-F126 WeakPolarHBondContact CA-O 3.22Å; G81-F126 PolarHBondContact N-O 3.32Å; G81-F126 PolarHBondContact O-N 3.44Å; V83-F126 HydrophobicContact CG2-CD1 4.47Å; F126-F129 HydrophobicContact CE2-CD1 4.44Å
127S97Very high94.2Very high81 Ų8147.5 Ų47.557%0.56626%0.255SS*.SBendtrans-107.6-13.9175.858.60000113.2V75V75-S127 WeakPolarHBondContact CB-O 3.43Å; V75-S127 WeakPolarHBondContact CG2-O 3.32Å; V75-S127 PolarHBondContact N-O 3.01Å
128H96.9Very high95.2Very high70 Ų7043.2 Ų43.232%0.32423%0.234SC..EExtended strand (participates in β ladder)trans-154.316518062.1-85.8000109.4E72 V73E72-H128 HydrophobicContact CG-CB 4.1Å; E72-H128 IonicContact OE1-CD2 2.87Å; E72-H128 PolarHBondContact OE1-CD2 3.07Å; E72-H128 IonicContact OE1-CE1 3.36Å; E72-H128 IonicContact OE1-CG 3.97Å; E72-H128 IonicContact OE1-ND1 3.68Å; E72-H128 IonicContact OE1-NE2 3.07Å; E72-H128 PolarHBondContact OE1-NE2 2.82Å; V73-H128 CarbonylContact O-C 3.56Å; V73-H128 VanDerWaalsContact O-CA 3.26Å; V73-H128 WeakPolarHBondContact O-CA 3.48Å
129F97.5Very high95.5Very high24 Ų2439.6 Ų39.611%0.10523%0.229CC..EExtended strand (participates in β ladder)trans-147.1157172.367-82000110L29 L31 V73 F126 L131 V144 L148L29-F129 HydrophobicContact CB-CB 3.74Å; L31-F129 HydrophobicContact CB-CD2 4.27Å; L31-F129 HydrophobicContact CB-CE2 4.3Å; L31-F129 HydrophobicContact CD2-CE2 4.38Å; V73-F129 HydrophobicContact CB-CD1 4.47Å; V73-F129 HydrophobicContact CB-CE1 4.02Å; V73-F129 HydrophobicContact CB-CE2 4.34Å; V73-F129 HydrophobicContact CB-CZ 3.95Å; V73-F129 HydrophobicContact CG1-CE1 3.93Å; V73-F129 HydrophobicContact CG1-CZ 3.94Å; V73-F129 PolarHBondContact N-O 2.83Å; V73-F129 PolarHBondContact O-N 2.9Å; F126-F129 HydrophobicContact CE2-CD1 4.44Å; F129-L131 HydrophobicContact CE2-CB 4.23Å; F129-V144 HydrophobicContact CE2-CG1 4.4Å; F129-V144 HydrophobicContact CZ-CG1 3.99Å; F129-L148 HydrophobicContact CE1-CD1 4.27Å; F129-L148 HydrophobicContact CZ-CD1 4.2Å
130T97.3Very high95.6Very high16 Ų1643.8 Ų43.810%0.09826%0.259CS..EExtended strand (participates in β ladder)trans-88.5123.7175.1-38.20000110.4L29 H30 L31 L59 E71 W132L29-T130 PolarHBondContact O-N 3.32Å; H30-T130 WeakPolarHBondContact CA-O 3.48Å; H30-T130 WeakPolarHBondContact ND1-CB 3.49Å; H30-T130 PolarHBondContact ND1-OG1 3.49Å; L31-T130 PolarHBondContact N-O 3.34Å; L59-T130 HydrophobicContact CD1-CG2 3.68Å; E71-T130 WeakPolarHBondContact O-CA 3.5Å; E71-T130 WeakPolarHBondContact O-CG2 3.42Å; T130-W132 HydrophobicContact CG2-CD2 4.16Å; T130-W132 HydrophobicContact CG2-CH2 4.35Å; T130-W132 HydrophobicContact CG2-CZ2 3.64Å
131L97.4Very high95.3Very high8 Ų849 Ų494%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-94.6119.6173.5178.364.1000109L31 G70 E71 V73 F129 P138L31-L131 HydrophobicContact CB-CD1 4.29Å; L31-L131 HydrophobicContact CD2-CD1 3.77Å; L31-L131 HydrophobicContact CG-CD1 4.27Å; G70-L131 CarbonylContact C-O 3.56Å; G70-L131 WeakPolarHBondContact CA-O 3.4Å; E71-L131 PolarHBondContact N-O 3.34Å; E71-L131 PolarHBondContact O-N 2.83Å; V73-L131 HydrophobicContact CG2-CB 3.7Å; V73-L131 HydrophobicContact CG2-CD2 4.16Å; F129-L131 HydrophobicContact CE2-CB 4.23Å; L131-P138 HydrophobicContact CD1-CG 4.47Å; L131-P138 HydrophobicContact CD2-CB 3.88Å; L131-P138 HydrophobicContact CD2-CG 4.03Å; L131-P138 HydrophobicContact CG-CB 4.32Å; L131-P138 HydrophobicContact CG-CG 3.9Å
132W97.6Very high95.2Very high4 Ų449.8 Ų49.82%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-105.8135.3179.2-62.9100000111.5H30 L31 L32 P33 F48 I52 L59 V61 L68 T130H30-W132 AromaticContact CG-NE1 3.76Å; H30-W132 AromaticContact ND1-NE1 3.49Å; H30-W132 PolarHBondContact ND1-NE1 2.58Å; L31-W132 WeakPolarHBondContact O-CB 3.38Å; L31-W132 PolarHBondContact O-N 3.48Å; L32-W132 HydrophobicContact CD2-CG 4.32Å; P33-W132 WeakPolarHBondContact CD-O 3.3Å; F48-W132 AromaticContact CE1-CE2 3.95Å; F48-W132 AromaticContact CE1-CZ2 3.97Å; F48-W132 HydrophobicContact CE1-CZ2 3.97Å; F48-W132 AromaticContact CE1-NE1 3.73Å; F48-W132 HydrophobicContact CZ-CD2 4.35Å; F48-W132 AromaticContact CZ-CE2 3.72Å; F48-W132 AromaticContact CZ-CZ2 3.99Å; F48-W132 HydrophobicContact CZ-CZ2 3.99Å; F48-W132 AromaticContact CZ-NE1 3.6Å; I52-W132 HydrophobicContact CD1-CZ2 4.09Å; I52-W132 HydrophobicContact CG1-CH2 4.22Å; I52-W132 HydrophobicContact CG1-CZ2 4.12Å; I52-W132 HydrophobicContact CG2-CH2 4.17Å; L59-W132 HydrophobicContact CB-CH2 3.67Å; L59-W132 HydrophobicContact CB-CZ3 3.92Å; V61-W132 HydrophobicContact CB-CH2 3.84Å; V61-W132 HydrophobicContact CB-CZ2 4.42Å; V61-W132 HydrophobicContact CB-CZ3 4.06Å; V61-W132 HydrophobicContact CG1-CD2 4.04Å; V61-W132 HydrophobicContact CG1-CE3 3.7Å; V61-W132 HydrophobicContact CG1-CH2 3.42Å; V61-W132 VanDerWaalsContact CG1-CH2 3.42Å; V61-W132 HydrophobicContact CG1-CZ2 3.76Å; V61-W132 HydrophobicContact CG1-CZ3 3.4Å; L68-W132 HydrophobicContact CB-CB 4.46Å; L68-W132 HydrophobicContact CB-CD2 4.47Å; L68-W132 HydrophobicContact CB-CE3 3.86Å; L68-W132 HydrophobicContact CD1-CB 4.29Å; T130-W132 HydrophobicContact CG2-CD2 4.16Å; T130-W132 HydrophobicContact CG2-CH2 4.35Å; T130-W132 HydrophobicContact CG2-CZ2 3.64Å
133G96.9Very high95.2Very high6 Ų658.5 Ų58.56%0.06233%0.33CS..EExtended strand (participates in β ladder)trans-116.5156.2169.400000111.3L68 R69 E135 T136L68-G133 CarbonylContact C-O 3.58Å; L68-G133 VanDerWaalsContact CA-O 3.24Å; L68-G133 WeakPolarHBondContact CA-O 3.43Å; R69-G133 PolarHBondContact N-O 3.49Å; R69-G133 PolarHBondContact O-N 2.95Å; G133-E135 PolarHBondContact O-N 3.05Å; G133-T136 CarbonylContact C-O 3.57Å; G133-T136 VanDerWaalsContact C-O 3.3Å; G133-T136 VanDerWaalsContact CA-O 3.26Å; G133-T136 WeakPolarHBondContact CA-O 3.44Å
134L96.5Very high95.1Very high64 Ų6456.8 Ų56.834%0.33532%0.319SS..EExtended strand (participates in β ladder)trans-76.8118.8177.2175.470.5000109.1P33 R66 L68 T136P33-L134 HydrophobicContact CG-CB 4.47Å; R66-L134 HydrophobicContact CB-CD1 4.27Å; L68-L134 HydrophobicContact CD2-CD1 4.38Å; L134-T136 PolarHBondContact O-N 2.85Å; L134-T136 PolarHBondContact O-OG1 3.17Å
135E93.1Very high94.9Very high125 Ų12559.8 Ų59.858%0.58433%0.327SS*.SBendtrans59.6-24.5179.8-61.2176.3-176.500116.5C67 R69 G133C67-E135 PolarHBondContact O-N 3Å; R69-E135 WeakPolarHBondContact CD-O 3.26Å; R69-E135 WeakPolarHBondContact CG-O 3.35Å; R69-E135 PolarHBondContact NE-O 3.38Å; G133-E135 PolarHBondContact O-N 3.05Å
136T93.4Very high94.8Very high98 Ų9860.7 Ų60.760%0.60134%0.34SS*.SBendtrans-134.9149.1-175.956.90000109.8G133 L134G133-T136 CarbonylContact C-O 3.57Å; G133-T136 VanDerWaalsContact C-O 3.3Å; G133-T136 VanDerWaalsContact CA-O 3.26Å; G133-T136 WeakPolarHBondContact CA-O 3.44Å; L134-T136 PolarHBondContact O-N 2.85Å; L134-T136 PolarHBondContact O-OG1 3.17Å
137I94.1Very high94.7Very high44 Ų4461.8 Ų61.823%0.22636%0.357CS..PPolyproline II helixtrans-71.7136.4176.6-60.5176.6000108.6E57 R69 E71 G139E57-I137 WeakPolarHBondContact O-CD1 3.32Å; R69-I137 HydrophobicContact CB-CG1 3.71Å; E71-I137 HydrophobicContact CB-CG2 4.13Å; E71-I137 HydrophobicContact CG-CG2 4.13Å; E71-I137 WeakPolarHBondContact OE1-CG2 3.27Å; I137-G139 PolarHBondContact O-N 2.9Å
138P93.6Very high94.6Very high26 Ų2660.1 Ų60.117%0.16934%0.342CS..PPolyproline II helixtrans-58.6126.4178.8-28.440.3000112.3L131 A142 R145L131-P138 HydrophobicContact CD1-CG 4.47Å; L131-P138 HydrophobicContact CD2-CB 3.88Å; L131-P138 HydrophobicContact CD2-CG 4.03Å; L131-P138 HydrophobicContact CG-CB 4.32Å; L131-P138 HydrophobicContact CG-CG 3.9Å; P138-A142 HydrophobicContact CB-CB 4.03Å; P138-R145 PolarHBondContact O-NH2 3.15Å
139G91Very high94.5Very high28 Ų2861.3 Ų61.329%0.28935%0.354SS..PPolyproline II helixtrans-61.8172.5-178.400000114.2I137 D141 A142 R145I137-G139 PolarHBondContact O-N 2.9Å; G139-D141 PolarHBondContact O-N 2.84Å; G139-A142 VanDerWaalsContact O-CB 3.25Å; G139-A142 WeakPolarHBondContact O-CB 3.17Å; G139-A142 PolarHBondContact O-N 2.86Å; G139-A142 VanDerWaalsContact O-N 3.13Å; G139-R145 WeakPolarHBondContact O-CD 3.1Å; G139-R145 PolarHBondContact O-NE 3.32Å; G139-R145 VanDerWaalsContact O-NE 3.17Å
140P90.8Very high94.4Very high117 Ų11767.6 Ų67.676%0.7638%0.377SS*.THydrogen-bonded Turntrans-63.8-22.917927.3-34.8000113.3A142P140-A142 VanDerWaalsContact C-N 3.29Å
141D89.3Confident94.3Very high145 Ų14569 Ų6978%0.77539%0.387SS*.THydrogen-bonded Turntrans-81.9-2.617863.8-39.8000113.7G139 K143G139-D141 PolarHBondContact O-N 2.84Å; D141-K143 PolarHBondContact O-N 2.85Å
142A92.7Very high94.2Very high24 Ų2473.1 Ų73.120%0.19842%0.416CS..  trans-56.8131.7176.100000111.2P138 G139 P140 V144 R145 G146P138-A142 HydrophobicContact CB-CB 4.03Å; G139-A142 VanDerWaalsContact O-CB 3.25Å; G139-A142 WeakPolarHBondContact O-CB 3.17Å; G139-A142 PolarHBondContact O-N 2.86Å; G139-A142 VanDerWaalsContact O-N 3.13Å; P140-A142 VanDerWaalsContact C-N 3.29Å; A142-V144 PolarHBondContact O-N 2.89Å; A142-R145 HydrophobicContact CB-CG 4.45Å; A142-R145 WeakPolarHBondContact O-CB 3.45Å; A142-R145 PolarHBondContact O-N 3.37Å; A142-G146 PolarHBondContact O-N 3.09Å
143K94.9Very high94Very high192 Ų19277.5 Ų77.584%0.83544%0.439SS*.Hα-helixtrans-51.7-36.2-177.8-64.8-179.7-179178.40113.3D141 R145 G146 A147D141-K143 PolarHBondContact O-N 2.85Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 2.83Å; K143-G146 PolarHBondContact O-N 3.07Å; K143-A147 PolarHBondContact O-N 3.49Å
144V94.9Very high93.9Very high45 Ų4578.3 Ų78.327%0.27345%0.446SS..Hα-helixtrans-59.4-42.31781790000111.1L31 F129 A142 A147 L148L31-V144 HydrophobicContact CD2-CG1 4.31Å; L31-V144 HydrophobicContact CD2-CG2 3.78Å; F129-V144 HydrophobicContact CE2-CG1 4.4Å; F129-V144 HydrophobicContact CZ-CG1 3.99Å; A142-V144 PolarHBondContact O-N 2.89Å; V144-A147 WeakPolarHBondContact O-CB 3.05Å; V144-A147 PolarHBondContact O-N 3.33Å; V144-L148 HydrophobicContact CG1-CD1 4.34Å; V144-L148 WeakPolarHBondContact O-CG 3.5Å; V144-L148 PolarHBondContact O-N 3.43Å
145R93.1Very high93.7Very high74 Ų7478.4 Ų78.428%0.27946%0.455SS..Hα-helixtrans-66.3-40.9178.1-63.9179.6178.7-91.218.2111.5E71 P138 G139 A142 K143 A147 L148 T149E71-R145 IonicContact OE1-CZ 3.74Å; E71-R145 IonicContact OE1-NH2 2.76Å; E71-R145 PolarHBondContact OE1-NH2 3.25Å; E71-R145 IonicContact OE2-CZ 3.34Å; E71-R145 IonicContact OE2-NH1 2.87Å; E71-R145 IonicContact OE2-NH2 3.59Å; E71-R145 PolarHBondContact OE2-NH2 2.89Å; P138-R145 PolarHBondContact O-NH2 3.15Å; G139-R145 WeakPolarHBondContact O-CD 3.1Å; G139-R145 PolarHBondContact O-NE 3.32Å; G139-R145 VanDerWaalsContact O-NE 3.17Å; A142-R145 HydrophobicContact CB-CG 4.45Å; A142-R145 WeakPolarHBondContact O-CB 3.45Å; A142-R145 PolarHBondContact O-N 3.37Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 2.83Å; R145-A147 VanDerWaalsContact C-N 3.33Å; R145-A147 PolarHBondContact O-N 3.19Å; R145-L148 PolarHBondContact O-N 3.07Å; R145-T149 PolarHBondContact O-N 3.09Å
146G93.9Very high93.7Very high42 Ų4275.6 Ų75.643%0.43345%0.454SS..Hα-helixtrans-61.7-39.4172.200000112.8A142 K143 L148 T149A142-G146 PolarHBondContact O-N 3.09Å; K143-G146 PolarHBondContact O-N 3.07Å; G146-L148 VanDerWaalsContact C-N 3.32Å; G146-L148 PolarHBondContact O-N 2.64Å; G146-T149 PolarHBondContact O-N 3.41Å; G146-T149 PolarHBondContact O-OG1 3.14Å
147A96.1Very high93.7Very high64 Ų6476.2 Ų76.253%0.52946%0.457SS..Hα-helixtrans-65.7-35176.200000112.3K143 V144 R145 T149 W150K143-A147 PolarHBondContact O-N 3.49Å; V144-A147 WeakPolarHBondContact O-CB 3.05Å; V144-A147 PolarHBondContact O-N 3.33Å; R145-A147 VanDerWaalsContact C-N 3.33Å; R145-A147 PolarHBondContact O-N 3.19Å; A147-T149 VanDerWaalsContact C-N 3.28Å; A147-T149 PolarHBondContact O-N 2.97Å; A147-W150 WeakPolarHBondContact O-CB 3.25Å; A147-W150 PolarHBondContact O-N 3.07Å
148L95.2Very high93.6Very high47 Ų4778.8 Ų78.825%0.24648%0.479CS..Hα-helixtrans-69.9-20.9178.1-69.5171.3000113.6V73 P76 F129 V144 R145 G146 P151V73-L148 HydrophobicContact CG1-CD1 3.51Å; P76-L148 HydrophobicContact CG-CB 4.12Å; P76-L148 HydrophobicContact CG-CD2 4.11Å; P76-L148 WeakPolarHBondContact CG-O 3.44Å; F129-L148 HydrophobicContact CE1-CD1 4.27Å; F129-L148 HydrophobicContact CZ-CD1 4.2Å; V144-L148 HydrophobicContact CG1-CD1 4.34Å; V144-L148 WeakPolarHBondContact O-CG 3.5Å; V144-L148 PolarHBondContact O-N 3.43Å; R145-L148 PolarHBondContact O-N 3.07Å; G146-L148 VanDerWaalsContact C-N 3.32Å; G146-L148 PolarHBondContact O-N 2.64Å; L148-P151 WeakPolarHBondContact O-CD 3.29Å
149T94.8Very high93.4Very high95 Ų9587.3 Ų87.358%0.58351%0.508SS*.Hα-helixtrans-85.6-17.9175.663.30000113.1R145 G146 A147 S152R145-T149 PolarHBondContact O-N 3.09Å; G146-T149 PolarHBondContact O-N 3.41Å; G146-T149 PolarHBondContact O-OG1 3.14Å; A147-T149 VanDerWaalsContact C-N 3.28Å; A147-T149 PolarHBondContact O-N 2.97Å; T149-S152 PolarHBondContact O-N 2.88Å
150W96.2Very high93.1Very high155 Ų15588.9 Ų88.959%0.58752%0.524SS*.Hα-helixtrans-55.6-44.1-178.3172.2-111000114.7A147 S152 L153 A154A147-W150 WeakPolarHBondContact O-CB 3.25Å; A147-W150 PolarHBondContact O-N 3.07Å; W150-S152 VanDerWaalsContact C-N 3.26Å; W150-S152 PolarHBondContact O-N 2.9Å; W150-L153 HydrophobicContact CE3-CB 4.37Å; W150-L153 HydrophobicContact CE3-CD2 3.9Å; W150-L153 HydrophobicContact CE3-CG 4.37Å; W150-L153 HydrophobicContact CZ3-CD2 3.71Å; W150-L153 HydrophobicContact CZ3-CG 4.16Å; W150-L153 WeakPolarHBondContact O-CB 3.48Å; W150-L153 PolarHBondContact O-N 3.24Å; W150-A154 HydrophobicContact CD2-CB 4.49Å; W150-A154 HydrophobicContact CZ2-CB 4.14Å; W150-A154 WeakPolarHBondContact O-CB 3.45Å; W150-A154 PolarHBondContact O-N 2.88Å
151P95.8Very high92.7Very high47 Ų4789.8 Ų89.831%0.30553%0.527SS..Hα-helixtrans-58.2-36.2-177.9-27.636.6000114.1L79 L148 A154 A155L79-P151 HydrophobicContact CD1-CB 3.63Å; L79-P151 HydrophobicContact CD1-CG 3.78Å; L148-P151 WeakPolarHBondContact O-CD 3.29Å; P151-A154 PolarHBondContact O-N 3.12Å; P151-A155 WeakPolarHBondContact O-CB 3.05Å; P151-A155 PolarHBondContact O-N 2.94Å
152S93.4Very high92.2Very high94 Ų9488.2 Ų88.266%0.65752%0.524SS*.Hα-helixtrans-63.6-44.2176.3179.80000111.3T149 W150 A155 A156T149-S152 PolarHBondContact O-N 2.88Å; W150-S152 VanDerWaalsContact C-N 3.26Å; W150-S152 PolarHBondContact O-N 2.9Å; S152-A155 PolarHBondContact O-N 2.87Å; S152-A156 PolarHBondContact O-N 2.87Å
153L94.3Very high91.1Very high96 Ų9692.4 Ų92.450%0.50355%0.552SS.*Hα-helixtrans-65.6-44.9175.7179.859.8000111.5W150 A155 A156 V157W150-L153 HydrophobicContact CE3-CB 4.37Å; W150-L153 HydrophobicContact CE3-CD2 3.9Å; W150-L153 HydrophobicContact CE3-CG 4.37Å; W150-L153 HydrophobicContact CZ3-CD2 3.71Å; W150-L153 HydrophobicContact CZ3-CG 4.16Å; W150-L153 WeakPolarHBondContact O-CB 3.48Å; W150-L153 PolarHBondContact O-N 3.24Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-A155 PolarHBondContact O-N 2.85Å; L153-A156 WeakPolarHBondContact O-CB 3.08Å; L153-A156 PolarHBondContact O-N 3Å; L153-A156 VanDerWaalsContact O-N 3.11Å; L153-V157 HydrophobicContact CD1-CG2 4.28Å; L153-V157 WeakPolarHBondContact O-CG2 3.32Å; L153-V157 PolarHBondContact O-N 3.4Å
154A95.1Very high89.2Confident23 Ų2388.8 Ų88.819%0.1955%0.55CS..Hα-helixtrans-60-40.2178.800000112.1W150 P151 A156 V157 S158W150-A154 HydrophobicContact CD2-CB 4.49Å; W150-A154 HydrophobicContact CZ2-CB 4.14Å; W150-A154 WeakPolarHBondContact O-CB 3.45Å; W150-A154 PolarHBondContact O-N 2.88Å; P151-A154 PolarHBondContact O-N 3.12Å; A154-A156 VanDerWaalsContact C-N 3.32Å; A154-A156 PolarHBondContact O-N 2.9Å; A154-V157 PolarHBondContact O-N 3.32Å; A154-S158 VanDerWaalsContact O-CB 3.23Å; A154-S158 WeakPolarHBondContact O-CB 3.05Å; A154-S158 PolarHBondContact O-N 3.12Å; A154-S158 PolarHBondContact O-OG 3.5Å
155A92.6Very high87.4Confident65 Ų6592.2 Ų92.254%0.53757%0.573SS.*Hα-helixtrans-62.7-37.4175.400000112.5P151 S152 L153 R159P151-A155 WeakPolarHBondContact O-CB 3.05Å; P151-A155 PolarHBondContact O-N 2.94Å; S152-A155 PolarHBondContact O-N 2.87Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-A155 PolarHBondContact O-N 2.85Å; A155-R159 PolarHBondContact O-N 3.48Å
156A92.4Very high85.5Confident67 Ų6799 Ų9955%0.55460%0.599SS**Hα-helixtrans-69.4-44176.800000112.2S152 L153 A154 R159S152-A156 PolarHBondContact O-N 2.87Å; L153-A156 WeakPolarHBondContact O-CB 3.08Å; L153-A156 PolarHBondContact O-N 3Å; L153-A156 VanDerWaalsContact O-N 3.11Å; A154-A156 VanDerWaalsContact C-N 3.32Å; A154-A156 PolarHBondContact O-N 2.9Å; A156-R159 WeakPolarHBondContact O-CB 3.2Å; A156-R159 PolarHBondContact O-N 2.65Å
157V93.3Very high83.8Confident111 Ų111102.7 Ų102.767%0.67361%0.613SS**Hα-helixtrans-69.4-38.1-179.8174.40000111.9L153 A154 R159L153-V157 HydrophobicContact CD1-CG2 4.28Å; L153-V157 WeakPolarHBondContact O-CG2 3.32Å; L153-V157 PolarHBondContact O-N 3.4Å; A154-V157 PolarHBondContact O-N 3.32Å; V157-R159 PolarHBondContact O-N 3.14Å
158S91.7Very high81.6Confident97 Ų97106.8 Ų106.868%0.67863%0.626SS**THydrogen-bonded Turntrans-79.1-9.1-178-51.20000112.9A154 G160A154-S158 VanDerWaalsContact O-CB 3.23Å; A154-S158 WeakPolarHBondContact O-CB 3.05Å; A154-S158 PolarHBondContact O-N 3.12Å; A154-S158 PolarHBondContact O-OG 3.5Å; S158-G160 PolarHBondContact O-N 3.01Å; S158-G160 VanDerWaalsContact O-N 3.14Å
159R89.6Confident79.5Confident205 Ų205108.2 Ų108.277%0.77465%0.652SS**SBendtrans-65117.3177.3-160.5175.6-166.7112.70.4108.1A155 A156 V157 V161A155-R159 PolarHBondContact O-N 3.48Å; A156-R159 WeakPolarHBondContact O-CB 3.2Å; A156-R159 PolarHBondContact O-N 2.65Å; V157-R159 PolarHBondContact O-N 3.14Å; R159-V161 PolarHBondContact O-N 2.87Å
160G85.4Confident77.3Confident61 Ų61109.9 Ų109.963%0.62966%0.657SS**PPolyproline II helixtrans-51.1138.5176.100000110.7S158S158-G160 PolarHBondContact O-N 3.01Å; S158-G160 VanDerWaalsContact O-N 3.14Å
161V83.1Confident74.9Confident137 Ų137106.1 Ų106.183%0.8367%0.666SS**PPolyproline II helixtrans-60.5123.7177.8-179.20000107.6R159 S163R159-V161 PolarHBondContact O-N 2.87Å; V161-S163 PolarHBondContact O-N 3.48Å; V161-S163 VanDerWaalsContact O-N 3.14Å
162P77.6Confident72.6Confident111 Ų111108.5 Ų108.572%0.72168%0.684SS**PPolyproline II helixtrans-59125.1176.423-30.9000108.1C164P162-C164 PolarHBondContact O-N 2.83Å
163S70Confident70.4Confident112 Ų112110.6 Ų110.678%0.78369%0.693SS**PPolyproline II helixtrans-58.1125173.347.70000108.2V161V161-S163 PolarHBondContact O-N 3.48Å; V161-S163 VanDerWaalsContact O-N 3.14Å
164C55.9Low68.1Low116 Ų116112.5 Ų112.578%0.78470%0.703SS**PPolyproline II helixtrans-54128173.3-70.10000108P162 R166P162-C164 PolarHBondContact O-N 2.83Å; C164-R166 PolarHBondContact O-N 2.82Å
165P56.6Low65.9Low117 Ų117114.5 Ų114.576%0.7673%0.725SS**PPolyproline II helixtrans-57.9120.1173.621.5-29.6000107.7V167P165-V167 PolarHBondContact O-N 3.49Å
166R52.6Low63.5Low216 Ų216119.5 Ų119.582%0.81574%0.738SS**  trans-61.2111.3171.5-178.5173.5-77.4150.3-2.9106.1C164 D168C164-R166 PolarHBondContact O-N 2.82Å; R166-D168 VanDerWaalsContact C-N 3.28Å; R166-D168 PolarHBondContact O-N 3.34Å
167V58.5Low61.4Low121 Ų121121 Ų12173%0.73374%0.74SS**  trans-72.791.7174.9-147.20000106.3P165 G169P165-V167 PolarHBondContact O-N 3.49Å; V167-G169 VanDerWaalsContact C-N 3.35Å; V167-G169 PolarHBondContact O-N 3.09Å
168D50.4Low59Low149 Ų149125.2 Ų125.280%0.79775%0.749SS**THydrogen-bonded Turntrans-66.196.8174-69.5-32000107.9R166R166-D168 VanDerWaalsContact C-N 3.28Å; R166-D168 PolarHBondContact O-N 3.34Å
169G49.8Very low56.9Low78 Ų78127 Ų12780%0.80476%0.758SS**THydrogen-bonded Turntrans149.4-7.5178.400000116.7V167V167-G169 VanDerWaalsContact C-N 3.35Å; V167-G169 PolarHBondContact O-N 3.09Å
170L49.6Very low54.9Low129 Ų129121.4 Ų121.468%0.67577%0.765SS**  trans-111103.7170.4-149.473.4000109.2S172L170-S172 PolarHBondContact O-N 3.19Å
171G45.8Very low52.5Low77 Ų77120.9 Ų120.979%0.79476%0.759SS**  trans-54.8100.8171.600000109.8T173G171-T173 PolarHBondContact O-N 3.14Å
172S46.2Very low50.5Low97 Ų97123.1 Ų123.168%0.67876%0.758SS**  trans-88.489.2175.9-158.10000107.4L170 I174L170-S172 PolarHBondContact O-N 3.19Å; S172-I174 PolarHBondContact O-N 3.16Å
173T48.8Very low48.8Very low138 Ų138125.9 Ų125.985%0.84776%0.755SS**  trans-74104.3166.5350000108.4G171 G175G171-T173 PolarHBondContact O-N 3.14Å; T173-G175 PolarHBondContact O-N 3.23Å; T173-G175 VanDerWaalsContact O-N 3.09Å
174I45.9Very low47.5Very low136 Ų136131 Ų13170%0.69776%0.758SS**  trans-66.4102163.2-71.3173.6000106.9S172S172-I174 PolarHBondContact O-N 3.16Å
175G47.6Very low46.9Very low65 Ų65130.2 Ų130.267%0.6775%0.749SS**  trans-86.6109.516600000109.2T173 T177T173-G175 PolarHBondContact O-N 3.23Å; T173-G175 VanDerWaalsContact O-N 3.09Å; G175-T177 PolarHBondContact O-N 2.85Å
176Q42Very low46.4Very low170 Ų170130.9 Ų130.979%0.79475%0.75SS**  trans-69.2125.8164.3-90-177.64.700109.1
177T49.8Very low46Very low97 Ų97130.7 Ų130.760%0.59575%0.75SS**  trans-109.1150.2152.959.30000108.9G175G175-T177 PolarHBondContact O-N 2.85Å
178K42.8Very low44.9Very low200 Ų200127.9 Ų127.987%0.8775%0.745SS**SBendtrans-43.1159.3-178.4-79.5-174.1177.7-179.10114.7
179P47.4Very low44.5Very low134 Ų134130.6 Ų130.687%0.8775%0.75SS**SBendtrans-69.7133.9-136.532.7-33.9000112.3
180G46.6Very low44.1Very low89 Ų89138.1 Ų138.192%0.91875%0.754SS**SBendtrans134.95.2165.600000117.3
181G36Very low43.5Very low49 Ų49136.7 Ų136.751%0.50575%0.754SS.*  trans-166.5124.7173.700000113.8
182F41Very low43.2Very low185 Ų185138.9 Ų138.981%0.81176%0.758SS**  trans-95.8123.8161-62.2-81.5000107.4
183Y42Very low42.7Very low168 Ų168141.8 Ų141.866%0.65977%0.765SS**  trans-116.3140.8167.968.2-77.5000109.1V185Y183-V185 HydrophobicContact CD2-CG2 3.5Å; Y183-V185 VanDerWaalsContact CD2-CG2 3.5Å; Y183-V185 HydrophobicContact CE2-CG2 3.08Å
184W41.9Very low42Very low221 Ų221141.5 Ų141.584%0.83776%0.763SS**  trans-88116.1173.9-62.996.8000108.8V186W184-V186 PolarHBondContact O-N 3.16Å
185V44.3Very low41.6Very low98 Ų98141 Ų14159%0.59477%0.767SS**  trans-8999.2168.3-176.50000108.5Y183 R187Y183-V185 HydrophobicContact CD2-CG2 3.5Å; Y183-V185 VanDerWaalsContact CD2-CG2 3.5Å; Y183-V185 HydrophobicContact CE2-CG2 3.08Å; V185-R187 HydrophobicContact CG1-CG 4.13Å; V185-R187 PolarHBondContact O-N 3.01Å
186V46.2Very low40.9Very low131 Ų131145.9 Ų145.979%0.79478%0.776SS**  trans-79.598.3165.4-176.70000107.4W184 G188W184-V186 PolarHBondContact O-N 3.16Å; V186-G188 VanDerWaalsContact C-N 3.27Å; V186-G188 PolarHBondContact O-N 2.99Å
187R43.6Very low40.5Very low213 Ų213143.1 Ų143.180%0.80477%0.773SS**  trans-72.488.5165.2-81.4-169.7103.1139.22108.4V185 K189V185-R187 HydrophobicContact CG1-CG 4.13Å; V185-R187 PolarHBondContact O-N 3.01Å; R187-K189 PolarHBondContact O-N 2.89Å
188G36.2Very low39.8Very low61 Ų61144 Ų14463%0.62978%0.783SS**  trans-61.8121.216400000109.5V186 R190V186-G188 VanDerWaalsContact C-N 3.27Å; V186-G188 PolarHBondContact O-N 2.99Å; G188-R190 PolarHBondContact O-N 2.73Å; G188-R190 VanDerWaalsContact O-N 3.08Å
189K41.9Very low39.2Very low207 Ų207143.5 Ų143.590%0.979%0.786SS**  trans-64.6109168-159.4166.8-174.11760106.1R187 S191R187-K189 PolarHBondContact O-N 2.89Å; K189-S191 PolarHBondContact O-N 2.73Å
190R39.6Very low38.4Very low236 Ų236142.1 Ų142.189%0.89178%0.78SS**  trans-57.2105.5168-93.7-175.8-166.2-149.41.7106.8G188 S192G188-R190 PolarHBondContact O-N 2.73Å; G188-R190 VanDerWaalsContact O-N 3.08Å; R190-S192 PolarHBondContact O-N 3.02Å
191S38.6Very low37.9Very low98 Ų98149.4 Ų149.469%0.68578%0.78SS**  trans-56.8120.5153.539.30000106.6K189 L193K189-S191 PolarHBondContact O-N 2.73Å; S191-L193 PolarHBondContact O-N 2.87Å
192S39.8Very low37.7Very low124 Ų124158 Ų15887%0.86780%0.797SS**  trans-50.2106.6175.7-68.30000109.5R190R190-S192 PolarHBondContact O-N 3.02Å
193L35.5Very low37.1Very low158 Ų158152.8 Ų152.883%0.82780%0.795SS**  trans-106.9125162.8-79.3169.3000107.8S191S191-L193 PolarHBondContact O-N 2.87Å
194T34.1Very low36.4Very low132 Ų132156 Ų15681%0.8181%0.808SS**  trans-40.3136.9178.1-46.70000113.4
195T37.6Very low35.8Very low126 Ų126149.9 Ų149.977%0.77380%0.799SS**  trans-36.8124.6168.1-55.10000114.4
196L31.6Very low35.2Very low166 Ų166152.5 Ų152.587%0.86981%0.805SS**  trans-147.4150143.8-82.9-177.5000110.1
197P34.4Very low34.4Very low113 Ų113153.1 Ų153.173%0.73480%0.799SS**  trans-90.9148.4-149.334.2-34.2000115.2
198S33.9Very low33.9Very low114 Ų114151 Ų15180%0.79780%0.803SS**  trans7.5119.9145.6-1750000118.1
199M30.6Very low33.6Very low190 Ų190151.7 Ų151.794%0.93681%0.809SS**  trans-151.1111.6141.6-109.5-177162.200112.6
200S31.2Very low33.5Very low106 Ų106148 Ų14874%0.74181%0.807SS**  trans29.2124.1148.8-1550000122.1
201R35.3Very low33.2Very low241 Ų241142.3 Ų142.391%0.90980%0.803SS**  trans-57.3134.6159.1-70176.8175.5-135.6-0.9112.5
202R31.8Very low33.5Very low230 Ų230143.7 Ų143.787%0.86881%0.809SS**  trans-153.9121.5138.8-65.3-165.7-167.1-153.12.8104.8
203G29Very low33.1Very low75 Ų75141.2 Ų141.277%0.77380%0.804SS**  82.383.155.500000108.6
204Y27.6Very low33Very low235 Ų235142.5 Ų142.592%0.92281%0.811SS**  trans-128.5114170.5-91.9-86.9000109.2
205S29Very low32.9Very low94 Ų94140 Ų14066%0.65781%0.81SS**  trans-119.1140.6171.3-173.60000107
206E31.9Very low32.6Very low152 Ų152139.1 Ų139.171%0.7182%0.817SS**  trans59.9158.2154.2-76.8-179.9121.200118.1
207Q30.2Very low32.8Very low145 Ų145136.6 Ų136.668%0.67881%0.813SS**  cis-167.8148.5-20-119.6168.311.500104
208L31.6Very low32.9Very low169 Ų169139.3 Ų139.389%0.88582%0.82SS**  trans24.8126.8147.1-60.7167.3000121.3
209G30.1Very low33.4Very low74 Ų74139.3 Ų139.376%0.76382%0.818SS**  trans-174.5134.6154.700000112.3
210P39.3Very low34.2Very low131 Ų131136 Ų13685%0.85181%0.81SS**  trans-91.9160.7-168.636.2-33.9000115.1
211S34.9Very low34.2Very low115 Ų115136.9 Ų136.980%0.80482%0.815SS**  trans-8.9168.6159.4-114.10000120.5
212P44.7Very low34.2Very low127 Ų127134 Ų13483%0.82582%0.816SS**  cis-140.7179.66.736.7-15.3000115.3
213G30.3Very low34.6Very low73 Ų73129 Ų12975%0.75381%0.812SS**  trans155.4114.3157.200000116.6
214L33.5Very low34.9Very low185 Ų185130.3 Ų130.397%0.96981%0.809SS**  trans-18.4138.6170.5-7973.1000118.8
215G31.8Very low35.3Very low78 Ų78125.1 Ų125.180%0.80480%0.804SS**  trans173.3104.5157.800000112.7
216A32.5Very low35.6Very low109 Ų109127 Ų12790%0.90181%0.812SS**  trans-58.4139.9179.200000113.5
217S34.8Very low35.9Very low113 Ų113126.2 Ų126.279%0.7982%0.817SS**  trans-174.7121.8137.1-1640000110
218L37.4Very low36Very low170 Ų170127.3 Ų127.389%0.8982%0.822SS**PPolyproline II helixtrans-74.9134.7169.1-71.4161.1000109.4
219P43.5Very low36.1Very low114 Ų114123.5 Ų123.574%0.7482%0.815SS**PPolyproline II helixtrans-100.3148.7158.532.9-25.9000111.8
220P47.4Very low36.6Very low121 Ų121125.6 Ų125.679%0.78681%0.813SS**PPolyproline II helixtrans-81.1155.2-164.531.9-35.9000114.8
221C32.3Very low36.5Very low124 Ų124125 Ų12584%0.83881%0.809SS**PPolyproline II helixtrans-51.8125.9171.4-50.20000112.1
222L35.7Very low36.6Very low179 Ų179127.9 Ų127.994%0.93782%0.815SS**PPolyproline II helixtrans-84.4116.3166-83.7162.7000109.3
223T38.3Very low36.2Very low126 Ų126126.3 Ų126.377%0.77381%0.812SS**PPolyproline II helixtrans-70.4142.4179.146.70000112.5
224S35.5Very low36.4Very low103 Ų103130.4 Ų130.472%0.7282%0.817SS**PPolyproline II helixtrans-55.1152167-50.30000112.6T226S224-T226 PolarHBondContact O-N 2.93Å
225P37.4Very low36.5Very low125 Ų125126.5 Ų126.581%0.81281%0.806SS**PPolyproline II helixtrans-73.6117.1171.928.3-31.1000111
226T33.9Very low36.8Very low133 Ų133134.8 Ų134.882%0.81681%0.812SS**PPolyproline II helixtrans-69.3125.5167.1-64.30000109.7S224 E228S224-T226 PolarHBondContact O-N 2.93Å; T226-E228 PolarHBondContact O-N 2.95Å
227V38Very low37Very low137 Ų137136.7 Ų136.783%0.8381%0.813SS**  trans-78.8110.9167.4173.40000107.8
228E32.8Very low37Very low168 Ų168135 Ų13579%0.78581%0.814SS**  trans-82.1114.5173.5-168-177.4139.800109T226T226-E228 PolarHBondContact O-N 2.95Å
229A34.6Very low37Very low89 Ų89131.1 Ų131.174%0.73681%0.806SS**  trans-105.8109.2170.100000108.6
230T39.9Very low36.7Very low118 Ų118137.7 Ų137.772%0.72482%0.816SS**  trans-75.8127.2175.9-32.60000110
231P37Very low36.1Very low118 Ų118135.5 Ų135.577%0.76682%0.816SS**  trans-84.9124.7168.830.1-28.6000110.7A233P231-A233 PolarHBondContact O-N 3.03Å
232L37.4Very low36.6Very low175 Ų175137.8 Ų137.892%0.91682%0.818SS**  trans-74.4113.4169.2-16976.9000108.6
233A37.2Very low36.9Very low94 Ų94141.1 Ų141.178%0.77782%0.819SS**  trans-77.8131.8172.100000109.9P231P231-A233 PolarHBondContact O-N 3.03Å
234D33.6Very low37.2Very low160 Ų160141.4 Ų141.486%0.85682%0.82SS**  trans-124.7120.6163-145-6.3000109.1
235S34.9Very low37.5Very low103 Ų103148.4 Ų148.472%0.7283%0.831SS**  trans-108.5111.2-170.449.40000109.6
236R38.4Very low37.9Very low251 Ų251150.5 Ų150.595%0.94786%0.859SS**  trans-139.6112.2155.7-79.3-166.1175.3175.3-0.9112.7
237T37.6Very low38.1Very low150 Ų150151.4 Ų151.492%0.9286%0.861SS**  trans-58.4144.5169.1-40.90000112.9
238G34.4Very low38.1Very low78 Ų78152.2 Ų152.280%0.80486%0.863SS**  trans178.463.7172.100000117.8
239A36.9Very low38.4Very low87 Ų87151.3 Ų151.372%0.71987%0.867SS**  trans-14.9146.7164.600000122.9
240R36.8Very low38.7Very low252 Ų252154.9 Ų154.995%0.95188%0.875SS**  trans79.6126.4138.4-79.8176.7-167.4-154.62.9120.9
241G36.2Very low38.6Very low76 Ų76157.3 Ų157.378%0.78488%0.884SS**  trans156.477.9139.500000116.6
242L42.3Very low38.7Very low171 Ų171159.9 Ų159.990%0.89589%0.892SS**  trans-65.2129155.2-92.897.5000109.2
243R41.6Very low38.8Very low250 Ų250158.8 Ų158.894%0.94389%0.891SS**  trans-145.8119.7148.7-76.1-163.3173.5-131-1.6110.8
244T44.6Very low38.9Very low131 Ų131163.8 Ų163.880%0.80490%0.899SS**  trans-94151.5159.336.70000110.1
245R42.8Very low39.3Very low250 Ų250164.1 Ų164.194%0.94390%0.903SS**  trans137.2139.1162.7-87-176.2172.3-150.7-1.6108.2
246A45.3Very low39.7Very low170 Ų170169.6 Ų169.6100%1.40592%0.92SS**  cis-1520-0.700000106.9

Retrieved 246 of 246 residues in 98.4 ms (Link to these results)