A0A096MLT1_PAPAN Loading...

Chromosome 6 open reading frame 120

May be involved in induction of apoptosis in CD4(+) T-cells, but not CD8(+) T-cells or hepatocytes.

AlphaFold DB (A0A7N9C7F5), UniProt , Accession A0A096MLT1, Species PAPAN (Papio anubis, Olive baboon), Gene C6orf120, Length 191 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
1M45.6Very low50.3Low251 Ų251153 Ų153100%1.23686%0.864SS**  0137.40-126.615117700107.6
2A44.2Very low50.5Low105 Ų105149.8 Ų149.887%0.86885%0.85SS**  trans84.398-177.800000117.8
3A46.2Very low50.6Low93 Ų93150 Ų15077%0.76986%0.857SS**  trans-70.3168.4134.600000108.1
4P57.5Low50.7Low112 Ų112146.4 Ų146.473%0.72785%0.854SS**  cis-151177.133.931.9-5.7000116.7
5R48.3Very low50.8Low236 Ų236147.7 Ų147.789%0.89186%0.856SS**  153.2108.8119.7-86-179.3166.1159-3.8110.5
6G47.7Very low51Low79 Ų79148.8 Ų148.881%0.81486%0.856SS**  trans-67.5152.7168.600000112
7R51.8Low51.2Low251 Ų251148.5 Ų148.595%0.94785%0.85SS**  trans-132.9129.4163.3-103.7177.3145.6-165.5-7.5108.4
8A48.2Very low51Low106 Ų106149.3 Ų149.388%0.87685%0.85SS**PPolyproline II helixtrans-62.3139.7-174.600000112.2
9A55.7Low51.3Low79 Ų79149.7 Ų149.765%0.65385%0.849SS**PPolyproline II helixtrans-98.2142.9163.300000108.8W11A9-W11 PolarHBondContact O-N 3.37Å
10P51.8Low51.4Low118 Ų118147.2 Ų147.277%0.76684%0.837SS**PPolyproline II helixtrans-75.2119.3-162.727.9-33.9000113.1T12P10-T12 PolarHBondContact O-N 3.19Å
11W56Low51.5Low253 Ų253145 Ų14596%0.95883%0.83SS**  trans-79.581.8168.4-64.5-36.5000111A9A9-W11 PolarHBondContact O-N 3.37Å
12T53.5Low52Low114 Ų114141.3 Ų141.370%0.69981%0.81SS**  trans-152.791.2166.948.20000109.3P10P10-T12 PolarHBondContact O-N 3.19Å
13T51.6Low52.5Low153 Ų153143.4 Ų143.494%0.93981%0.805SS**SBendtrans163.754.1147.7440000111.8
14A51.3Low52.9Low99 Ų99146.6 Ų146.682%0.81881%0.809SS**SBendtrans-143.849.116800000111
15L53.1Low52.9Low167 Ų167145.6 Ų145.687%0.87480%0.804SS**  trans-160.263.7170.1-150.381.5000112
16L53.9Low52.9Low165 Ų165139.9 Ų139.986%0.86480%0.798SS**  trans-154.1134.1160.4-143.873.9000109.7
17L53.6Low52.9Low144 Ų144139.2 Ų139.275%0.75479%0.791SS**  trans92.461.4-178.8-51.7174.9000116.2
18L48Very low52.6Low163 Ų163131.7 Ų131.785%0.85378%0.776SS**  trans-123.170.2137.8-97.8150000107.8T20L18-T20 VanDerWaalsContact C-N 3.26Å; L18-T20 HydrophobicContact CD2-CG2 4.3Å; L18-T20 PolarHBondContact O-N 3.42Å
19L56.3Low52.2Low156 Ų156132.8 Ų132.882%0.81778%0.776SS**  trans-75.285.9158.5-105.1133.3000106.8
20T52.9Low52Low100 Ų100130.3 Ų130.361%0.61376%0.756SS**  trans-107.492.3152.854.60000105.7L18 Q22L18-T20 VanDerWaalsContact C-N 3.26Å; L18-T20 HydrophobicContact CD2-CG2 4.3Å; L18-T20 PolarHBondContact O-N 3.42Å; T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 3.04Å
21S53.6Low52.2Low100 Ų100131.9 Ų131.970%0.69976%0.758SS**  trans-54.3104.2163.351.40000107I23S21-I23 PolarHBondContact O-N 3.47Å
22Q57.3Low52.5Low175 Ų175126.4 Ų126.482%0.81874%0.743SS**  trans-56.1116.2166.8-68.6-80.876.800105.5T20 L24T20-Q22 VanDerWaalsContact C-N 3.34Å; T20-Q22 PolarHBondContact O-N 3.04Å; Q22-L24 PolarHBondContact O-N 3.21Å; Q22-L24 VanDerWaalsContact O-N 3.12Å
23I55.1Low53.4Low149 Ų149126.5 Ų126.576%0.76474%0.736SS**  trans-49.3118.9176.1-69.9154.6000106.7S21 S25S21-I23 PolarHBondContact O-N 3.47Å; I23-S25 PolarHBondContact O-N 2.93Å
24L54.7Low55Low160 Ų160127.7 Ų127.784%0.83873%0.73SS**  trans-62.593.8164-177.969.1000105.5Q22 P26Q22-L24 PolarHBondContact O-N 3.21Å; Q22-L24 VanDerWaalsContact O-N 3.12Å; L24-P26 VanDerWaalsContact O-CD 3.22Å; L24-P26 WeakPolarHBondContact O-CD 3.35Å; L24-P26 VanDerWaalsContact O-N 3.17Å
25S56.3Low56.8Low91 Ų91125.6 Ų125.664%0.63671%0.707SS**  trans-57.9118.7161.4-63.60000105.4I23 G27I23-S25 PolarHBondContact O-N 2.93Å; S25-G27 VanDerWaalsContact C-N 3.33Å; S25-G27 PolarHBondContact O-N 2.81Å
26P49.1Very low58.7Low116 Ų116119.8 Ų119.875%0.75368%0.679SS**  trans-58.1115.1154.427.2-27.8000103.5L24 S28L24-P26 VanDerWaalsContact O-CD 3.22Å; L24-P26 WeakPolarHBondContact O-CD 3.35Å; L24-P26 VanDerWaalsContact O-N 3.17Å; P26-S28 PolarHBondContact O-N 3.37Å
27G46.7Very low60.5Low64 Ų64121 Ų12166%0.6668%0.681SS**  trans-53.8103164.300000105S25 C29S25-G27 VanDerWaalsContact C-N 3.33Å; S25-G27 PolarHBondContact O-N 2.81Å; G27-C29 PolarHBondContact O-N 3.21Å
28S45.7Very low62.4Low93 Ų93119.1 Ų119.165%0.6567%0.668SS**  trans-63.398.3163.5178.80000103.6P26 A30P26-S28 PolarHBondContact O-N 3.37Å; S28-A30 PolarHBondContact O-N 3.37Å; S28-A30 WeakPolarHBondContact OG-CB 3.09Å; S28-A30 PolarHBondContact OG-N 3.46Å
29C41Very low64.7Low130 Ų130113.6 Ų113.688%0.87864%0.636SS**  trans-69.732.7165.6-62.60000110.7G27G27-C29 PolarHBondContact O-N 3.21Å
30A51Low66.6Low27 Ų27110.1 Ų110.122%0.22362%0.621CS.*  trans-103.688.6162.700000104.2S28 E32S28-A30 PolarHBondContact O-N 3.37Å; S28-A30 WeakPolarHBondContact OG-CB 3.09Å; S28-A30 PolarHBondContact OG-N 3.46Å; A30-E32 HydrophobicContact CB-CG 3.97Å; A30-E32 WeakPolarHBondContact CB-OE1 3.37Å; A30-E32 PolarHBondContact O-N 2.74Å
31D54.9Low68.7Low151 Ų151109.4 Ų109.481%0.80761%0.613SS**  trans-59.984149-77.4-46000105.2E33D31-E33 PolarHBondContact O-N 3.05Å
32E63.8Low70.8Confident137 Ų137107.1 Ų107.164%0.6459%0.593SS**  trans-69.975.9164.2-61.8-76132.100104.6A30 E34A30-E32 HydrophobicContact CB-CG 3.97Å; A30-E32 WeakPolarHBondContact CB-OE1 3.37Å; A30-E32 PolarHBondContact O-N 2.74Å; E32-E34 PolarHBondContact O-N 3.27Å; E32-E34 VanDerWaalsContact O-N 3.12Å
33E71.5Confident72.7Confident117 Ų117103.3 Ų103.355%0.54758%0.575SS.*PPolyproline II helixtrans-56.4120-179.4-177.3165.3-176.500108.4D31 V35 R68D31-E33 PolarHBondContact O-N 3.05Å; E33-V35 PolarHBondContact O-N 3.41Å; E33-V35 VanDerWaalsContact O-N 3.14Å; E33-R68 PolarHBondContact O-NH1 3.33Å; E33-R68 VanDerWaalsContact O-NH1 3.08Å
34E84.6Confident74.7Confident178 Ų17899.7 Ų99.783%0.83256%0.56SS**PPolyproline II helixtrans-48.5120.2-172.3-168.1169.6-172.400109.9E32E32-E34 PolarHBondContact O-N 3.27Å; E32-E34 VanDerWaalsContact O-N 3.12Å
35V90.2Very high76.8Confident55 Ų5594.1 Ų94.133%0.33353%0.532SS..PPolyproline II helixtrans-86126.1178.9177.30000107.1E33 W39 Y134E33-V35 PolarHBondContact O-N 3.41Å; E33-V35 VanDerWaalsContact O-N 3.14Å; V35-W39 HydrophobicContact CG1-CB 3.98Å; V35-W39 HydrophobicContact CG1-CE3 4.08Å; V35-Y134 HydrophobicContact CG1-CD1 4.18Å; V35-Y134 HydrophobicContact CG1-CE1 3.76Å; V35-Y134 HydrophobicContact CG2-CE1 4.41Å
36P92.8Very high78.8Confident44 Ų4496 Ų9629%0.28653%0.531SS..PPolyproline II helixtrans-55.2142.9177.2-24.433.3000112.2E38 W39P36-E38 WeakPolarHBondContact CB-OE2 2.91Å; P36-E38 PolarHBondContact O-N 3.14Å; P36-W39 HydrophobicContact CB-CD2 4.39Å; P36-W39 HydrophobicContact CB-CG 4.22Å; P36-W39 HydrophobicContact CG-CD2 4Å; P36-W39 HydrophobicContact CG-CE3 4.41Å; P36-W39 HydrophobicContact CG-CG 4.35Å; P36-W39 HydrophobicContact CG-CH2 4.46Å; P36-W39 HydrophobicContact CG-CZ2 4.1Å; P36-W39 WeakPolarHBondContact O-CB 3.13Å; P36-W39 PolarHBondContact O-N 2.73Å; P36-W39 VanDerWaalsContact O-N 3.07Å
37E91.1Very high81.1Confident192 Ų19291.8 Ų91.890%0.89751%0.508SS*.THydrogen-bonded Turntrans-62.9-24.4-178.1-65.7-171.7174.200112.6W39E37-W39 PolarHBondContact O-N 2.62Å
38E94Very high83.5Confident103 Ų10394.3 Ų94.348%0.48150%0.503SS..THydrogen-bonded Turntrans-77.3-10.5179.8-46.679.7-167.200112.7P36 G137 T138P36-E38 WeakPolarHBondContact CB-OE2 2.91Å; P36-E38 PolarHBondContact O-N 3.14Å; E38-G137 PolarHBondContact O-N 2.89Å; E38-T138 HydrophobicContact CB-CG2 4.01Å; E38-T138 HydrophobicContact CG-CG2 4.1Å
39W95.7Very high86Confident47 Ų4790.3 Ų90.318%0.17847%0.474CS..EExtended strand (participates in β ladder)trans-89.9125.1-178.7-71.212.5000111.4V35 P36 E37 V66 Y134 Y135 D136V35-W39 HydrophobicContact CG1-CB 3.98Å; V35-W39 HydrophobicContact CG1-CE3 4.08Å; P36-W39 HydrophobicContact CB-CD2 4.39Å; P36-W39 HydrophobicContact CB-CG 4.22Å; P36-W39 HydrophobicContact CG-CD2 4Å; P36-W39 HydrophobicContact CG-CE3 4.41Å; P36-W39 HydrophobicContact CG-CG 4.35Å; P36-W39 HydrophobicContact CG-CH2 4.46Å; P36-W39 HydrophobicContact CG-CZ2 4.1Å; P36-W39 WeakPolarHBondContact O-CB 3.13Å; P36-W39 PolarHBondContact O-N 2.73Å; P36-W39 VanDerWaalsContact O-N 3.07Å; E37-W39 PolarHBondContact O-N 2.62Å; W39-V66 HydrophobicContact CE3-CB 4.39Å; W39-V66 HydrophobicContact CE3-CG1 4.42Å; W39-V66 HydrophobicContact CH2-CB 4.14Å; W39-V66 HydrophobicContact CH2-CG1 3.63Å; W39-V66 HydrophobicContact CH2-CG2 3.99Å; W39-V66 HydrophobicContact CZ2-CB 4.4Å; W39-V66 HydrophobicContact CZ2-CG1 4.3Å; W39-V66 HydrophobicContact CZ2-CG2 3.79Å; W39-V66 HydrophobicContact CZ3-CB 4.11Å; W39-V66 HydrophobicContact CZ3-CG1 3.68Å; W39-V66 HydrophobicContact CZ3-CG2 4.39Å; W39-Y134 HydrophobicContact CB-CD1 4.15Å; W39-Y134 HydrophobicContact CB-CG 4.49Å; W39-Y134 HydrophobicContact CE3-CD1 4.46Å; W39-Y134 HydrophobicContact CE3-CD2 4.28Å; W39-Y134 HydrophobicContact CE3-CG 4.05Å; W39-Y135 WeakPolarHBondContact CA-O 3.36Å; W39-D136 PolarHBondContact NE1-OD1 2.79Å; W39-D136 PolarHBondContact NE1-OD2 2.84Å
40V96.6Very high88.7Confident84 Ų8485.6 Ų85.651%0.50945%0.447SS..EExtended strand (participates in β ladder)trans-102.3118.2177-177.50000109.1L42 Y134 Y135V40-L42 PolarHBondContact O-N 3.3Å; V40-Y134 CarbonylContact O-C 3.58Å; V40-Y134 VanDerWaalsContact O-CA 3.32Å; V40-Y134 WeakPolarHBondContact O-CA 3.26Å; V40-Y135 PolarHBondContact N-O 3.26Å; V40-Y135 PolarHBondContact O-N 2.97Å
41L97.4Very high90.9Very high84 Ų8486.5 Ų86.544%0.4446%0.455SS..EExtended strand (participates in β ladder)trans-65.6116.5173.8-179.565.5000109.7H43 V44 K132 Y134L41-H43 WeakPolarHBondContact CD1-O 3.42Å; L41-V44 HydrophobicContact CD1-CG2 4.18Å; L41-V44 HydrophobicContact CD2-CG2 3.95Å; L41-V44 HydrophobicContact CG-CG2 4.44Å; L41-K132 HydrophobicContact CD1-CB 3.84Å; L41-K132 HydrophobicContact CD1-CG 4.37Å; L41-Y134 HydrophobicContact CB-CD1 3.99Å; L41-Y134 HydrophobicContact CB-CE1 3.82Å; L41-Y134 HydrophobicContact CD1-CD1 4.06Å; L41-Y134 HydrophobicContact CD1-CE1 3.7Å; L41-Y134 HydrophobicContact CD1-CE2 4.33Å; L41-Y134 HydrophobicContact CG-CE1 4.31Å
42L97.2Very high93Very high53 Ų5381.1 Ų81.128%0.27744%0.435SS..EExtended strand (participates in β ladder)trans-90.8-50.7177.6-58.9-177.7000111.6V40 H61 I65 V133V40-L42 PolarHBondContact O-N 3.3Å; L42-H61 HydrophobicContact CD1-CB 4.26Å; L42-I65 HydrophobicContact CD1-CD1 3.89Å; L42-V133 WeakPolarHBondContact CB-O 3.45Å; L42-V133 PolarHBondContact N-O 2.87Å
43H97.3Very high94.6Very high94 Ų9479.4 Ų79.444%0.43543%0.431SS..EExtended strand (participates in β ladder)trans-143.6152.1-172.5-64.2-75.1000111.6L41 H61 V133L41-H43 WeakPolarHBondContact CD1-O 3.42Å; H43-H61 AromaticContact CD2-NE2 3.69Å; H43-H61 AromaticContact NE2-NE2 3.19Å; H43-H61 PolarHBondContact NE2-NE2 3.42Å; H43-H61 VanDerWaalsContact NE2-NE2 3.19Å; H43-V133 HydrophobicContact CB-CB 4.14Å; H43-V133 HydrophobicContact CB-CG2 4.24Å; H43-V133 PolarHBondContact N-O 3.12Å; H43-V133 PolarHBondContact O-N 2.98Å
44V97.9Very high95.9Very high74 Ų7475.8 Ų75.845%0.44841%0.412SS..EExtended strand (participates in β ladder)trans-121.6126164.9-175.20000107.4L41 E130 M131 K132L41-V44 HydrophobicContact CD1-CG2 4.18Å; L41-V44 HydrophobicContact CD2-CG2 3.95Å; L41-V44 HydrophobicContact CG-CG2 4.44Å; V44-E130 HydrophobicContact CG1-CG 3.78Å; V44-M131 WeakPolarHBondContact CA-O 3.38Å; V44-K132 HydrophobicContact CG1-CG 4.43Å; V44-K132 HydrophobicContact CG2-CG 4.25Å
45V97.7Very high96.5Very high42 Ų4269.3 Ų69.326%0.25539%0.387SS..EExtended strand (participates in β ladder)trans-119.3130.3-179.2-176.80000107.9L57 E130 M131V45-L57 HydrophobicContact CG1-CD1 4.09Å; V45-L57 HydrophobicContact CG1-CD2 4.42Å; V45-E130 CarbonylContact O-C 3.53Å; V45-E130 WeakPolarHBondContact O-CA 3.22Å; V45-M131 PolarHBondContact N-O 3.04Å; V45-M131 PolarHBondContact O-N 3.24Å
46Q97.9Very high96.9Very high132 Ų13271 Ų7162%0.61739%0.388SS*.EExtended strand (participates in β ladder)trans-119.7147.6173.4-69.6178.6-1700109.3F129 E130Q46-F129 WeakPolarHBondContact CA-O 3.48Å; Q46-E130 HydrophobicContact CG-CB 4.09Å; Q46-E130 HydrophobicContact CG-CG 4.01Å; Q46-E130 PolarHBondContact NE2-OE2 3.37Å
47G97.3Very high97.1Very high27 Ų2771 Ų7128%0.27839%0.385SS..EExtended strand (participates in β ladder)trans-162.3167.8-178.400000113.7E128 F129G47-E128 WeakPolarHBondContact O-CA 3.38Å; G47-F129 PolarHBondContact N-O 3.27Å; G47-F129 VanDerWaalsContact N-O 3.09Å; G47-F129 WeakPolarHBondContact O-CD1 3.34Å; G47-F129 PolarHBondContact O-N 2.93Å
48Q98Very high97.5Very high116 Ų11669.8 Ų69.854%0.54237%0.373SS..EExtended strand (participates in β ladder)trans-133.5133.3178.2-175.2177.45200108.6E126 S127 E128Q48-E126 HydrophobicContact CG-CG 3.54Å; Q48-E126 PolarHBondContact NE2-OE1 3.26Å; Q48-E126 VanDerWaalsContact NE2-OE1 3.11Å; Q48-E126 PolarHBondContact NE2-OE2 3.27Å; Q48-S127 CarbonylContact C-O 3.59Å; Q48-S127 WeakPolarHBondContact CA-O 3.49Å; Q48-E128 HydrophobicContact CB-CG 4.28Å; Q48-E128 HydrophobicContact CG-CG 3.92Å; Q48-E128 PolarHBondContact NE2-OE1 2.97Å
49I98Very high97.7Very high9 Ų965.4 Ų65.45%0.04635%0.352CS..EExtended strand (participates in β ladder)trans-136.2133.9-172.4-58.6157.5000108.7N53 V118 E126 S127 F129I49-N53 HydrophobicContact CG2-CB 4.23Å; I49-N53 WeakPolarHBondContact CG2-O 3.13Å; I49-V118 HydrophobicContact CD1-CB 3.62Å; I49-V118 HydrophobicContact CD1-CG1 3.34Å; I49-E126 WeakPolarHBondContact O-CA 3.24Å; I49-S127 PolarHBondContact N-O 3.4Å; I49-S127 PolarHBondContact O-N 3.39Å; I49-F129 HydrophobicContact CD1-CD1 3.79Å; I49-F129 HydrophobicContact CD1-CE1 3.34Å; I49-F129 HydrophobicContact CD1-CZ 4.25Å; I49-F129 HydrophobicContact CG1-CD1 4.48Å; I49-F129 HydrophobicContact CG1-CE1 3.94Å
50G98.3Very high97.7Very high31 Ų3168.2 Ų68.232%0.3237%0.371SS..EExtended strand (participates in β ladder)trans-76.1158.8175.200000112.7G52 N53G50-G52 PolarHBondContact O-N 3.24Å; G50-N53 WeakPolarHBondContact O-CB 3.28Å; G50-N53 PolarHBondContact O-N 3.13Å
51A97.9Very high97.7Very high46 Ų4668 Ų6838%0.3836%0.364SS..THydrogen-bonded Turntrans-47.7126.317500000112.5N53 H124 L125A51-N53 PolarHBondContact O-N 3.24Å; A51-H124 WeakPolarHBondContact CB-O 3.43Å; A51-L125 PolarHBondContact N-O 3.48Å
52G97.1Very high97.6Very high39 Ų3970 Ų7040%0.40237%0.371SS..THydrogen-bonded Turntrans70.911.9176.600000115.1G50 Y119 G120G50-G52 PolarHBondContact O-N 3.24Å; G52-Y119 VanDerWaalsContact C-CE2 3.48Å; G52-G120 PolarHBondContact N-O 2.82Å
53N98.3Very high97.5Very high101 Ų10168.3 Ų68.354%0.5437%0.366SS..  trans-111.5169.2-179.3-156.60.6000111.9I49 G50 A51 Y119 G120I49-N53 HydrophobicContact CG2-CB 4.23Å; I49-N53 WeakPolarHBondContact CG2-O 3.13Å; G50-N53 WeakPolarHBondContact O-CB 3.28Å; G50-N53 PolarHBondContact O-N 3.13Å; A51-N53 PolarHBondContact O-N 3.24Å; N53-Y119 WeakPolarHBondContact O-CD2 3.44Å; N53-G120 PolarHBondContact O-N 2.82Å
54Y98.1Very high97.5Very high40 Ų4065.9 Ų65.916%0.15735%0.354CS..EExtended strand (participates in β ladder)trans-121.8146.6-178-75-90.1000112.8Y56 Y79 S88 F89 V118 Y119Y54-Y56 VanDerWaalsContact CB-CE2 3.5Å; Y54-Y56 VanDerWaalsContact CB-CZ 3.43Å; Y54-Y56 HydrophobicContact CD1-CE1 4.07Å; Y54-Y56 HydrophobicContact CG-CE1 4.22Å; Y54-Y56 HydrophobicContact CG-CE2 4.27Å; Y54-Y56 AromaticContact CG-CZ 3.71Å; Y54-Y79 HydrophobicContact CE1-CD2 4.4Å; Y54-S88 WeakPolarHBondContact OH-CA 3.34Å; Y54-F89 WeakPolarHBondContact OH-CD1 3.48Å; Y54-F89 PolarHBondContact OH-N 3.08Å; Y54-V118 CarbonylContact C-O 3.58Å; Y54-V118 VanDerWaalsContact CA-O 3.3Å; Y54-V118 WeakPolarHBondContact CA-O 3.33Å; Y54-Y119 HydrophobicContact CD1-CD2 4.1Å; Y54-Y119 AromaticContact CD2-CD2 3.83Å; Y54-Y119 HydrophobicContact CD2-CD2 3.83Å; Y54-Y119 HydrophobicContact CD2-CE2 4.32Å; Y54-Y119 AromaticContact CE1-CD2 3.66Å; Y54-Y119 HydrophobicContact CE1-CD2 3.66Å; Y54-Y119 AromaticContact CE1-CG 3.93Å; Y54-Y119 HydrophobicContact CE1-CG 3.93Å; Y54-Y119 AromaticContact CE2-CD2 3.36Å; Y54-Y119 HydrophobicContact CE2-CD2 3.36Å; Y54-Y119 AromaticContact CE2-CE2 3.68Å; Y54-Y119 HydrophobicContact CE2-CE2 3.68Å; Y54-Y119 HydrophobicContact CE2-CG 4.37Å; Y54-Y119 HydrophobicContact CG-CD2 4.17Å; Y54-Y119 AromaticContact CZ-CD2 3.24Å; Y54-Y119 AromaticContact CZ-CE2 3.88Å; Y54-Y119 AromaticContact CZ-CG 3.83Å
55S97.9Very high97.5Very high43 Ų4362.4 Ų62.430%0.30133%0.333SS..EExtended strand (participates in β ladder)trans-112.2133.2156.8-174.90000109.2V118S55-V118 PolarHBondContact N-O 3.32Å; S55-V118 PolarHBondContact O-N 2.82Å
56Y98.4Very high97.5Very high89 Ų8960.6 Ų60.635%0.34932%0.322SS..EExtended strand (participates in β ladder)trans-113.2130.8-177-63.9-72.1000111.7Y54 H86 P87 I116Y54-Y56 VanDerWaalsContact CB-CE2 3.5Å; Y54-Y56 VanDerWaalsContact CB-CZ 3.43Å; Y54-Y56 HydrophobicContact CD1-CE1 4.07Å; Y54-Y56 HydrophobicContact CG-CE1 4.22Å; Y54-Y56 HydrophobicContact CG-CE2 4.27Å; Y54-Y56 AromaticContact CG-CZ 3.71Å; Y56-H86 HydrophobicContact CD1-CB 4.26Å; Y56-H86 AromaticContact CD2-CD2 3.77Å; Y56-H86 HydrophobicContact CE1-CB 3.86Å; Y56-H86 AromaticContact CE2-CD2 3.98Å; Y56-H86 AromaticContact CG-CD2 3.88Å; Y56-P87 WeakPolarHBondContact CE1-O 3.33Å; Y56-I116 CarbonylContact C-O 3.54Å; Y56-I116 WeakPolarHBondContact CA-O 3.34Å
57L98.1Very high97.5Very high46 Ų4654.3 Ų54.324%0.24129%0.293CS..EExtended strand (participates in β ladder)trans-123.2154.6179-59.4164.8000109.7V45 I116 M131V45-L57 HydrophobicContact CG1-CD1 4.09Å; V45-L57 HydrophobicContact CG1-CD2 4.42Å; L57-I116 HydrophobicContact CB-CB 4.15Å; L57-I116 PolarHBondContact N-O 2.76Å; L57-I116 PolarHBondContact O-N 3.37Å; L57-M131 HydrophobicContact CD1-CE 3.38Å
58R98.1Very high97.5Very high166 Ų16655.3 Ų55.363%0.62629%0.288SS*.EExtended strand (participates in β ladder)trans-119.4123.6178.7-60.7-176.5-176.8-179.4-1.6109.7L85R58-L85 HydrophobicContact CG-CD2 4.17Å
59L97.9Very high97.4Very high10 Ų1050 Ų505%0.05226%0.263CS..EExtended strand (participates in β ladder)trans-100.1112.6176176.867.9000110H61 I65 I106 P113 V114 I116 V133L59-H61 HydrophobicContact CD1-CB 4.05Å; L59-I65 HydrophobicContact CD1-CG1 4.42Å; L59-I65 HydrophobicContact CD1-CG2 4.15Å; L59-I65 HydrophobicContact CD2-CB 3.92Å; L59-I65 HydrophobicContact CD2-CG1 4.02Å; L59-I65 HydrophobicContact CD2-CG2 3.75Å; L59-I106 HydrophobicContact CD2-CD1 3.48Å; L59-I106 VanDerWaalsContact CD2-CD1 3.48Å; L59-P113 CarbonylContact O-C 3.53Å; L59-P113 VanDerWaalsContact O-CA 3.3Å; L59-P113 WeakPolarHBondContact O-CA 3.39Å; L59-V114 HydrophobicContact CB-CB 4.24Å; L59-V114 HydrophobicContact CD2-CB 4.48Å; L59-V114 PolarHBondContact N-O 2.86Å; L59-V114 PolarHBondContact O-N 2.73Å; L59-I116 HydrophobicContact CB-CD1 3.87Å; L59-V133 HydrophobicContact CD1-CG1 4.36Å
60N97.4Very high97.2Very high107 Ų10754.2 Ų54.257%0.57228%0.279SS*.  trans-99.4-12.9177.1-62.8-65.1000113.5E62 P113N60-E62 PolarHBondContact O-N 3.18Å; N60-P113 WeakPolarHBondContact OD1-CB 2.95Å
61H95.8Very high97.1Very high80 Ų8054.1 Ų54.137%0.3727%0.273SS..  trans-66.1127.7-177.6-73.7-72.9000110.7L42 H43 L59 I65 R112L42-H61 HydrophobicContact CD1-CB 4.26Å; H43-H61 AromaticContact CD2-NE2 3.69Å; H43-H61 AromaticContact NE2-NE2 3.19Å; H43-H61 PolarHBondContact NE2-NE2 3.42Å; H43-H61 VanDerWaalsContact NE2-NE2 3.19Å; L59-H61 HydrophobicContact CD1-CB 4.05Å; H61-I65 HydrophobicContact CB-CD1 3.93Å; H61-I65 HydrophobicContact CB-CG1 4.37Å; H61-R112 PolarHBondContact O-NE 2.62Å; H61-R112 PolarHBondContact O-NH2 3.38Å
62E94.6Very high97Very high126 Ų12655.7 Ų55.759%0.58928%0.275SS*.  trans-73166174.6-63.5-61.9161.300111.4N60 R112N60-E62 PolarHBondContact O-N 3.18Å; E62-R112 WeakPolarHBondContact OE1-CG 3.37Å
63G95.3Very high96.9Very high16 Ų1658.6 Ų58.617%0.16528%0.276CS..SBendtrans81.7-171.5179.300000113.7A108 R112G63-A108 WeakPolarHBondContact O-CA 3.35Å; G63-R112 PolarHBondContact O-NH2 2.94Å
64K97.3Very high96.8Very high44 Ų4455.1 Ų55.119%0.19127%0.265CS..  trans-79.9121.9-177.6-171.7-179.6177.1-160.30109.7S105 I106 D136K64-S105 VanDerWaalsContact CE-OG 3.27Å; K64-S105 WeakPolarHBondContact CE-OG 3.28Å; K64-I106 WeakPolarHBondContact CA-O 3.49Å; K64-D136 HydrophobicContact CB-CB 4.2Å; K64-D136 HydrophobicContact CD-CB 3.97Å; K64-D136 WeakPolarHBondContact CD-OD2 3.36Å; K64-D136 WeakPolarHBondContact CE-OD2 3.47Å; K64-D136 HydrophobicContact CG-CB 4Å; K64-D136 IonicContact NZ-OD2 2.73Å; K64-D136 PolarHBondContact NZ-OD2 3.43Å; K64-D136 PolarHBondContact O-N 3.11Å
65I98.1Very high96.7Very high0 Ų053.9 Ų53.90%026%0.261CS..EExtended strand (participates in β ladder)trans-118.5135.3-176.4-59.7-60.9000108.9L42 L59 H61 L67 I106 V133 Y134 Y135L42-I65 HydrophobicContact CD1-CD1 3.89Å; L59-I65 HydrophobicContact CD1-CG1 4.42Å; L59-I65 HydrophobicContact CD1-CG2 4.15Å; L59-I65 HydrophobicContact CD2-CB 3.92Å; L59-I65 HydrophobicContact CD2-CG1 4.02Å; L59-I65 HydrophobicContact CD2-CG2 3.75Å; H61-I65 HydrophobicContact CB-CD1 3.93Å; H61-I65 HydrophobicContact CB-CG1 4.37Å; I65-L67 HydrophobicContact CG2-CD2 4.15Å; I65-I106 HydrophobicContact CB-CB 4.37Å; I65-I106 PolarHBondContact N-O 2.82Å; I65-I106 PolarHBondContact O-N 2.91Å; I65-V133 HydrophobicContact CG2-CG1 3.64Å; I65-Y134 CarbonylContact C-O 3.57Å; I65-Y134 VanDerWaalsContact CA-O 3.31Å; I65-Y134 WeakPolarHBondContact CA-O 3.49Å; I65-Y134 WeakPolarHBondContact CG2-O 3.27Å; I65-Y135 HydrophobicContact CD1-CD2 3.94Å
66V97.9Very high96.7Very high5 Ų551.8 Ų51.83%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-111.8123.3173.8-176.60000109.4W39 R68 V104 Y134 D136W39-V66 HydrophobicContact CE3-CB 4.39Å; W39-V66 HydrophobicContact CE3-CG1 4.42Å; W39-V66 HydrophobicContact CH2-CB 4.14Å; W39-V66 HydrophobicContact CH2-CG1 3.63Å; W39-V66 HydrophobicContact CH2-CG2 3.99Å; W39-V66 HydrophobicContact CZ2-CB 4.4Å; W39-V66 HydrophobicContact CZ2-CG1 4.3Å; W39-V66 HydrophobicContact CZ2-CG2 3.79Å; W39-V66 HydrophobicContact CZ3-CB 4.11Å; W39-V66 HydrophobicContact CZ3-CG1 3.68Å; W39-V66 HydrophobicContact CZ3-CG2 4.39Å; V66-R68 HydrophobicContact CG1-CG 4.32Å; V66-V104 WeakPolarHBondContact CA-O 3.38Å; V66-Y134 PolarHBondContact N-O 3.45Å; V66-Y134 PolarHBondContact O-N 2.83Å; V66-D136 HydrophobicContact CG2-CB 4.19Å
67L98.1Very high96.6Very high0 Ų047.9 Ų47.90%023%0.231CC..EExtended strand (participates in β ladder)trans-93.8124.7169.7-54.1-177.5000107.7I65 L78 V80 A103 V104 I106 I116 M131 V133I65-L67 HydrophobicContact CG2-CD2 4.15Å; L67-L78 HydrophobicContact CB-CD2 3.83Å; L67-L78 HydrophobicContact CD1-CD1 4.34Å; L67-L78 HydrophobicContact CD1-CD2 3.97Å; L67-V80 HydrophobicContact CD1-CG2 3.95Å; L67-A103 CarbonylContact O-C 3.51Å; L67-A103 VanDerWaalsContact O-CA 3.25Å; L67-A103 WeakPolarHBondContact O-CA 3.35Å; L67-V104 PolarHBondContact N-O 2.92Å; L67-V104 PolarHBondContact O-N 2.83Å; L67-I106 HydrophobicContact CD1-CD1 3.7Å; L67-I106 HydrophobicContact CD2-CD1 4.42Å; L67-I106 HydrophobicContact CG-CD1 3.89Å; L67-I116 HydrophobicContact CD1-CD1 3.65Å; L67-I116 HydrophobicContact CD1-CG1 3.95Å; L67-I116 HydrophobicContact CD1-CG2 4.19Å; L67-I116 HydrophobicContact CD2-CD1 4.17Å; L67-M131 HydrophobicContact CB-SD 4.1Å; L67-M131 HydrophobicContact CD1-SD 4.17Å; L67-M131 HydrophobicContact CD2-SD 4.23Å; L67-M131 HydrophobicContact CG-SD 4.4Å; L67-V133 HydrophobicContact CD2-CB 4.32Å; L67-V133 HydrophobicContact CD2-CG1 3.93Å; L67-V133 HydrophobicContact CD2-CG2 3.88Å
68R96.8Very high96.6Very high48 Ų4845.7 Ų45.718%0.18122%0.22CC..EExtended strand (participates in β ladder)trans-118.8117.7167-77-166.6168.5-176.91.1108.9E33 V66 D102 A103 M131 K132 Y134E33-R68 PolarHBondContact O-NH1 3.33Å; E33-R68 VanDerWaalsContact O-NH1 3.08Å; V66-R68 HydrophobicContact CG1-CG 4.32Å; R68-D102 CarbonylContact C-O 3.53Å; R68-D102 WeakPolarHBondContact CA-O 3.16Å; R68-A103 HydrophobicContact CG-CB 4.2Å; R68-M131 CarbonylContact O-C 3.57Å; R68-M131 WeakPolarHBondContact O-CA 3.16Å; R68-K132 PolarHBondContact N-O 3.38Å; R68-K132 PolarHBondContact O-N 3.02Å; R68-Y134 HydrophobicContact CB-CE2 4.16Å; R68-Y134 HydrophobicContact CG-CE2 4.36Å
69M96Very high96.6Very high3 Ų338.5 Ų38.52%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-116139.1-178.9-173.2179.471.400110.4A76 L78 D102 V118 F129 E130 M131M69-A76 HydrophobicContact CE-CB 4.12Å; M69-A76 WeakPolarHBondContact CE-O 3.38Å; M69-A76 HydrophobicContact SD-CB 4.45Å; M69-L78 HydrophobicContact CE-CB 3.92Å; M69-D102 HydrophobicContact CB-CB 4.28Å; M69-D102 HydrophobicContact CE-CB 4.07Å; M69-D102 PolarHBondContact N-O 3.45Å; M69-D102 PolarHBondContact O-N 2.64Å; M69-V118 HydrophobicContact CE-CG1 4.42Å; M69-V118 HydrophobicContact SD-CG1 3.71Å; M69-V118 HydrophobicContact SD-CG2 4.31Å; M69-F129 HydrophobicContact CG-CB 4.14Å; M69-F129 HydrophobicContact CG-CD2 3.99Å; M69-F129 HydrophobicContact CG-CG 4.42Å; M69-F129 HydrophobicContact SD-CB 4.23Å; M69-F129 HydrophobicContact SD-CD2 3.85Å; M69-F129 HydrophobicContact SD-CG 4.14Å; M69-E130 CarbonylContact C-O 3.55Å; M69-E130 WeakPolarHBondContact CA-O 3.44Å; M69-M131 HydrophobicContact CB-CB 4.19Å; M69-M131 HydrophobicContact CB-CG 4.18Å; M69-M131 HydrophobicContact CG-CB 4.15Å
70R95.1Very high96.7Very high98 Ų9838 Ų3837%0.3719%0.19SC..EExtended strand (participates in β ladder)trans-124.2127.2170.7-17917877.7-178.61.9109.2L72 F129 E130R70-L72 PolarHBondContact O-N 3.21Å; R70-F129 VanDerWaalsContact O-CA 3.31Å; R70-F129 WeakPolarHBondContact O-CA 3.45Å; R70-E130 PolarHBondContact N-O 3.47Å; R70-E130 PolarHBondContact O-N 3.29Å
71S95.9Very high96.7Very high29 Ų2933 Ų3320%0.20316%0.163CC..EExtended strand (participates in β ladder)trans-69.4115.4165-62.10000109.4A76 E128S71-A76 PolarHBondContact OG-N 3.45Å; S71-E128 CarbonylContact C-O 3.51Å
72L95.2Very high96.8Very high80 Ų8030.1 Ų30.142%0.41915%0.154SC..EExtended strand (participates in β ladder)trans-78.9-30.6173.2-56.8178.4000111R70 E128 E130R70-L72 PolarHBondContact O-N 3.21Å; L72-E128 HydrophobicContact CB-CB 4.24Å; L72-E128 PolarHBondContact N-O 3.12Å; L72-E130 HydrophobicContact CD1-CB 4.31Å; L72-E130 HydrophobicContact CD2-CB 4.38Å; L72-E130 HydrophobicContact CG-CB 4.44Å
73K95.8Very high96.9Very high99 Ų9928.7 Ų28.743%0.4316%0.157SC..EExtended strand (participates in β ladder)trans-153.4148.1177.4-179-169.5175.5-167.30108.7E126 S127 E128K73-E126 IonicContact NZ-OE2 2.73Å; K73-E126 PolarHBondContact NZ-OE2 3.26Å; K73-S127 CarbonylContact O-C 3.56Å; K73-S127 WeakPolarHBondContact O-CA 3.19Å; K73-E128 HydrophobicContact CB-CB 4.01Å; K73-E128 HydrophobicContact CB-CG 4.26Å; K73-E128 HydrophobicContact CD-CG 4.21Å; K73-E128 WeakPolarHBondContact CD-OE1 3.33Å; K73-E128 PolarHBondContact N-O 2.87Å; K73-E128 IonicContact NZ-OE1 3.12Å; K73-E128 PolarHBondContact NZ-OE1 3.05Å; K73-E128 VanDerWaalsContact NZ-OE1 3.12Å; K73-E128 PolarHBondContact O-N 3.42Å
74G95.4Very high97.1Very high29 Ų2929.5 Ų29.530%0.29916%0.161SC..SBendtrans68.3-148.1-178.400000111.3H124G74-H124 VanDerWaalsContact CA-CG 3.47Å
75D96.1Very high97.1Very high13 Ų1329.6 Ų29.67%0.0716%0.163CC..  trans-141115.1178.5-161.513.8000108.3H121 H124 S127D75-H121 HydrophobicContact CB-CB 3.93Å; D75-H121 WeakPolarHBondContact O-CB 3.48Å; D75-H121 PolarHBondContact O-N 3.19Å; D75-H124 WeakPolarHBondContact CB-CD2 3.22Å; D75-H124 PolarHBondContact N-CD2 3.37Å; D75-S127 VanDerWaalsContact C-OG 3.26Å; D75-S127 PolarHBondContact N-OG 3.22Å; D75-S127 WeakPolarHBondContact O-CB 3.47Å; D75-S127 PolarHBondContact O-OG 3.32Å
76A97Very high97.1Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-113.7129178.800000108M69 S71 V118 Y119 F129M69-A76 HydrophobicContact CE-CB 4.12Å; M69-A76 WeakPolarHBondContact CE-O 3.38Å; M69-A76 HydrophobicContact SD-CB 4.45Å; S71-A76 PolarHBondContact OG-N 3.45Å; A76-V118 HydrophobicContact CB-CG1 4.05Å; A76-Y119 CarbonylContact C-O 3.54Å; A76-Y119 VanDerWaalsContact CA-O 3.26Å; A76-Y119 WeakPolarHBondContact CA-O 3.46Å; A76-F129 HydrophobicContact CB-CB 4.09Å
77D97.1Very high97.1Very high7 Ų734.6 Ų34.64%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-107.9147.8-178.4-58.8-52.9000110.7Y79 A97 V118 Y119 H121D77-Y79 HydrophobicContact CB-CE2 3.62Å; D77-A97 HydrophobicContact CB-CB 3.84Å; D77-A97 WeakPolarHBondContact OD1-CA 3.39Å; D77-A97 WeakPolarHBondContact OD1-CB 3.25Å; D77-V118 CarbonylContact O-C 3.51Å; D77-V118 WeakPolarHBondContact O-CA 3.41Å; D77-Y119 PolarHBondContact N-O 2.81Å; D77-Y119 PolarHBondContact O-N 2.9Å; D77-H121 IonicContact OD2-CD2 3.77Å
78L98Very high97.1Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-109.9128.4-176.2-173.165.7000112.2L67 M69 V80 Q95 S96 V104 I116 V118 M131L67-L78 HydrophobicContact CB-CD2 3.83Å; L67-L78 HydrophobicContact CD1-CD1 4.34Å; L67-L78 HydrophobicContact CD1-CD2 3.97Å; M69-L78 HydrophobicContact CE-CB 3.92Å; L78-V80 HydrophobicContact CG-CG2 4.36Å; L78-Q95 CarbonylContact O-C 3.54Å; L78-Q95 WeakPolarHBondContact O-CA 3.35Å; L78-Q95 WeakPolarHBondContact O-CB 3.47Å; L78-S96 PolarHBondContact N-O 2.99Å; L78-S96 PolarHBondContact O-N 3.49Å; L78-V104 HydrophobicContact CD2-CB 4.05Å; L78-V104 HydrophobicContact CD2-CG2 3.78Å; L78-V104 HydrophobicContact CG-CG2 4.34Å; L78-I116 HydrophobicContact CD1-CG2 3.53Å; L78-V118 HydrophobicContact CD1-CG2 4.12Å; L78-M131 HydrophobicContact CD1-SD 4Å
79Y98.4Very high97Very high15 Ų1538.3 Ų38.36%0.05921%0.207CC..EExtended strand (participates in β ladder)trans-129.3140.9176.5-58.5-87.7000110.6Y54 D77 S88 F89 Y92 Q95 I116 G117 Y119Y54-Y79 HydrophobicContact CE1-CD2 4.4Å; D77-Y79 HydrophobicContact CB-CE2 3.62Å; Y79-S88 WeakPolarHBondContact CD1-O 3.34Å; Y79-F89 VanDerWaalsContact CE1-CA 3.49Å; Y79-F89 HydrophobicContact CE1-CB 3.96Å; Y79-F89 HydrophobicContact CE2-CB 4.29Å; Y79-Y92 AromaticContact CD1-CD1 3.68Å; Y79-Y92 HydrophobicContact CD1-CD1 3.68Å; Y79-Y92 HydrophobicContact CD1-CE1 4.24Å; Y79-Y92 AromaticContact CD1-CG 3.93Å; Y79-Y92 HydrophobicContact CD1-CG 3.93Å; Y79-Y92 HydrophobicContact CE1-CD1 4.1Å; Y79-Y92 HydrophobicContact CE1-CE1 4.23Å; Y79-Q95 HydrophobicContact CD1-CB 3.85Å; Y79-Q95 HydrophobicContact CE1-CB 4.13Å; Y79-Q95 VanDerWaalsContact CE1-OE1 3.24Å; Y79-I116 CarbonylContact O-C 3.52Å; Y79-I116 WeakPolarHBondContact O-CA 3.48Å; Y79-G117 PolarHBondContact N-O 3.29Å; Y79-G117 PolarHBondContact O-N 3.29Å; Y79-Y119 HydrophobicContact CE2-CD1 4.48Å; Y79-Y119 HydrophobicContact CE2-CG 4.41Å
80V98.7Very high97.1Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-139.3140.5-173.3-177.40000110.8L67 L78 E93 L94 V104 I106 V114 G115 I116L67-V80 HydrophobicContact CD1-CG2 3.95Å; L78-V80 HydrophobicContact CG-CG2 4.36Å; V80-E93 PolarHBondContact O-N 3.12Å; V80-L94 HydrophobicContact CB-CB 4.19Å; V80-L94 PolarHBondContact N-O 3.32Å; V80-L94 PolarHBondContact O-N 3.17Å; V80-V104 HydrophobicContact CG2-CG1 4.04Å; V80-I106 HydrophobicContact CG1-CD1 3.78Å; V80-I106 HydrophobicContact CG1-CG1 4.03Å; V80-I106 HydrophobicContact CG2-CD1 4.48Å; V80-V114 HydrophobicContact CG1-CG1 3.28Å; V80-G115 WeakPolarHBondContact CA-O 3.39Å; V80-I116 HydrophobicContact CG2-CG1 4.38Å
81S98.5Very high97.2Very high0 Ų044 Ų440%025%0.245CC..EExtended strand (participates in β ladder)trans-148.4137.6176.1174.90000112S83 S84 E93 V114 G115S81-S83 PolarHBondContact OG-N 2.94Å; S81-S83 VanDerWaalsContact OG-N 3.12Å; S81-S83 PolarHBondContact OG-OG 3.37Å; S81-S84 PolarHBondContact OG-N 3.21Å; S81-E93 PolarHBondContact OG-OE1 3.14Å; S81-V114 WeakPolarHBondContact O-CG1 3.37Å; S81-G115 PolarHBondContact N-O 3.47Å; S81-G115 PolarHBondContact O-N 2.96Å
82A97.9Very high97.3Very high21 Ų2147 Ų4717%0.17425%0.252CS..SBendtrans-83.8-20.2168.200000113.1E93 F110 V114A82-E93 WeakPolarHBondContact CB-OE2 3.41Å; A82-E93 PolarHBondContact N-OE2 3.06Å; A82-F110 HydrophobicContact CB-CB 3.96Å; A82-F110 HydrophobicContact CB-CD1 4.45Å; A82-F110 HydrophobicContact CB-CD2 3.69Å; A82-F110 HydrophobicContact CB-CE2 4.29Å; A82-F110 HydrophobicContact CB-CG 3.78Å; A82-V114 HydrophobicContact CB-CG2 4.29Å
83S97.4Very high97.5Very high95 Ų9546.7 Ų46.766%0.66425%0.249SC*.SBendtrans-89.9-22.7-178.250.30000113.8S81 E93S81-S83 PolarHBondContact OG-N 2.94Å; S81-S83 VanDerWaalsContact OG-N 3.12Å; S81-S83 PolarHBondContact OG-OG 3.37Å; S83-E93 VanDerWaalsContact CB-OE1 3.3Å; S83-E93 WeakPolarHBondContact CB-OE1 3.43Å; S83-E93 PolarHBondContact N-OE1 2.95Å; S83-E93 VanDerWaalsContact N-OE1 3.16Å; S83-E93 PolarHBondContact OG-OE1 3.42Å
84S97.7Very high97.6Very high33 Ų3344.4 Ų44.423%0.23124%0.241CC..  trans-132.2140.8180-178.50000112.3S81 H86 G115S81-S84 PolarHBondContact OG-N 3.21Å; S84-H86 VanDerWaalsContact C-N 3.28Å; S84-H86 PolarHBondContact OG-N 2.9Å; S84-H86 VanDerWaalsContact OG-N 3.11Å; S84-G115 WeakPolarHBondContact O-CA 3.3Å
85L98.4Very high97.7Very high47 Ų4747 Ų4725%0.24625%0.246CC..SBendtrans-83.8-3.2171.3-70.4-178.7000113.6R58 P87 P113R58-L85 HydrophobicContact CG-CD2 4.17Å; L85-P87 VanDerWaalsContact C-CD 3.49Å; L85-P113 HydrophobicContact CD2-CB 4.1Å; L85-P113 HydrophobicContact CD2-CG 3.95Å
86H98.3Very high97.7Very high109 Ų10947.3 Ų47.351%0.50525%0.248SC..SBendtrans-131.963.2179-52.594.2000110Y56 S84Y56-H86 HydrophobicContact CD1-CB 4.26Å; Y56-H86 AromaticContact CD2-CD2 3.77Å; Y56-H86 HydrophobicContact CE1-CB 3.86Å; Y56-H86 AromaticContact CE2-CD2 3.98Å; Y56-H86 AromaticContact CG-CD2 3.88Å; S84-H86 VanDerWaalsContact C-N 3.28Å; S84-H86 PolarHBondContact OG-N 2.9Å; S84-H86 VanDerWaalsContact OG-N 3.11Å
87P98.2Very high97.6Very high0 Ų049.4 Ų49.40%027%0.266CS..  trans-64.1147.8175.230-35.9000110.6Y56 L85 D91Y56-P87 WeakPolarHBondContact CE1-O 3.33Å; L85-P87 VanDerWaalsContact C-CD 3.49Å; P87-D91 CarbonylContact C-O 3.58Å; P87-D91 VanDerWaalsContact CA-O 3.28Å; P87-D91 WeakPolarHBondContact CA-O 3.2Å
88S97.3Very high97.3Very high29 Ų2952.1 Ų52.120%0.20328%0.283CS..  trans-131.5180-178.4710000110.8Y54 Y79 D90 D91 Y92Y54-S88 WeakPolarHBondContact OH-CA 3.34Å; Y79-S88 WeakPolarHBondContact CD1-O 3.34Å; S88-D90 PolarHBondContact O-N 3.07Å; S88-D90 PolarHBondContact OG-N 3.39Å; S88-D91 PolarHBondContact N-O 3.48Å; S88-D91 CarbonylContact O-C 3.54Å; S88-D91 PolarHBondContact O-N 3.2Å; S88-D91 PolarHBondContact OG-N 3.1Å; S88-Y92 WeakPolarHBondContact O-CD1 3.42Å
89F95.6Very high96.3Very high98 Ų9858 Ų5843%0.4332%0.323SS..SBendtrans-66.8-18.1176.771.4-103000113.1Y54 Y79 Y92Y54-F89 WeakPolarHBondContact OH-CD1 3.48Å; Y54-F89 PolarHBondContact OH-N 3.08Å; Y79-F89 VanDerWaalsContact CE1-CA 3.49Å; Y79-F89 HydrophobicContact CE1-CB 3.96Å; Y79-F89 HydrophobicContact CE2-CB 4.29Å; F89-Y92 WeakPolarHBondContact O-CE1 3.44Å
90D96.4Very high95.4Very high132 Ų13258.6 Ų58.671%0.70633%0.334SS*.SBendtrans-99.9-18.6177.1-73.2-38.7000113.1S88S88-D90 PolarHBondContact O-N 3.07Å; S88-D90 PolarHBondContact OG-N 3.39Å
91D97.8Very high94.8Very high88 Ų8862.7 Ų62.747%0.47136%0.36SS..SBendtrans-139.698.1-173-176.123.7000111.1P87 S88P87-D91 CarbonylContact C-O 3.58Å; P87-D91 VanDerWaalsContact CA-O 3.28Å; P87-D91 WeakPolarHBondContact CA-O 3.2Å; S88-D91 PolarHBondContact N-O 3.48Å; S88-D91 CarbonylContact O-C 3.54Å; S88-D91 PolarHBondContact O-N 3.2Å; S88-D91 PolarHBondContact OG-N 3.1Å
92Y98.3Very high94.5Very high91 Ų9162.7 Ų62.736%0.35736%0.36SS..  trans-154.1162-178.461.8-92.1000111.2Y79 S88 F89 Q95Y79-Y92 AromaticContact CD1-CD1 3.68Å; Y79-Y92 HydrophobicContact CD1-CD1 3.68Å; Y79-Y92 HydrophobicContact CD1-CE1 4.24Å; Y79-Y92 AromaticContact CD1-CG 3.93Å; Y79-Y92 HydrophobicContact CD1-CG 3.93Å; Y79-Y92 HydrophobicContact CE1-CD1 4.1Å; Y79-Y92 HydrophobicContact CE1-CE1 4.23Å; S88-Y92 WeakPolarHBondContact O-CD1 3.42Å; F89-Y92 WeakPolarHBondContact O-CE1 3.44Å; Y92-Q95 HydrophobicContact CD2-CB 3.85Å; Y92-Q95 HydrophobicContact CD2-CG 4.04Å; Y92-Q95 HydrophobicContact CE2-CB 3.86Å; Y92-Q95 HydrophobicContact CE2-CG 3.51Å; Y92-Q95 HydrophobicContact CG-CB 4.37Å; Y92-Q95 VanDerWaalsContact OH-CD 3.27Å; Y92-Q95 PolarHBondContact OH-NE2 3.01Å; Y92-Q95 PolarHBondContact OH-OE1 3.37Å; Y92-Q95 VanDerWaalsContact OH-OE1 3.14Å
93E98.4Very high94.4Very high75 Ų7564.3 Ų64.335%0.3537%0.373SS..SBendtrans-105.5-33.6172.4-67.5170.9-167.100111.7V80 S81 A82 S83 F110V80-E93 PolarHBondContact O-N 3.12Å; S81-E93 PolarHBondContact OG-OE1 3.14Å; A82-E93 WeakPolarHBondContact CB-OE2 3.41Å; A82-E93 PolarHBondContact N-OE2 3.06Å; S83-E93 VanDerWaalsContact CB-OE1 3.3Å; S83-E93 WeakPolarHBondContact CB-OE1 3.43Å; S83-E93 PolarHBondContact N-OE1 2.95Å; S83-E93 VanDerWaalsContact N-OE1 3.16Å; S83-E93 PolarHBondContact OG-OE1 3.42Å; E93-F110 HydrophobicContact CB-CE2 4.21Å; E93-F110 HydrophobicContact CB-CZ 3.99Å; E93-F110 WeakPolarHBondContact OE2-CE2 3.3Å; E93-F110 WeakPolarHBondContact OE2-CZ 3.21Å
94L98.2Very high94.4Very high50 Ų5060.2 Ų60.226%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-135149.3173.8-51.5167.6000109.6V80 V104 S105 I106 F110V80-L94 HydrophobicContact CB-CB 4.19Å; V80-L94 PolarHBondContact N-O 3.32Å; V80-L94 PolarHBondContact O-N 3.17Å; L94-V104 HydrophobicContact CB-CG1 3.63Å; L94-V104 HydrophobicContact CD1-CG1 3.83Å; L94-V104 HydrophobicContact CG-CG1 4.36Å; L94-S105 WeakPolarHBondContact CD1-O 3.46Å; L94-I106 HydrophobicContact CD1-CG1 4.37Å; L94-F110 HydrophobicContact CD1-CE2 3.64Å; L94-F110 HydrophobicContact CD1-CZ 3.77Å; L94-F110 HydrophobicContact CD2-CZ 4.43Å; L94-F110 HydrophobicContact CG-CE2 4.02Å; L94-F110 HydrophobicContact CG-CZ 3.89Å
95Q97.8Very high94.4Very high85 Ų8561.4 Ų61.440%0.39735%0.353SS..EExtended strand (participates in β ladder)trans-149160.4176.868.1165.617.400112.4L78 Y79 Y92L78-Q95 CarbonylContact O-C 3.54Å; L78-Q95 WeakPolarHBondContact O-CA 3.35Å; L78-Q95 WeakPolarHBondContact O-CB 3.47Å; Y79-Q95 HydrophobicContact CD1-CB 3.85Å; Y79-Q95 HydrophobicContact CE1-CB 4.13Å; Y79-Q95 VanDerWaalsContact CE1-OE1 3.24Å; Y92-Q95 HydrophobicContact CD2-CB 3.85Å; Y92-Q95 HydrophobicContact CD2-CG 4.04Å; Y92-Q95 HydrophobicContact CE2-CB 3.86Å; Y92-Q95 HydrophobicContact CE2-CG 3.51Å; Y92-Q95 HydrophobicContact CG-CB 4.37Å; Y92-Q95 VanDerWaalsContact OH-CD 3.27Å; Y92-Q95 PolarHBondContact OH-NE2 3.01Å; Y92-Q95 PolarHBondContact OH-OE1 3.37Å; Y92-Q95 VanDerWaalsContact OH-OE1 3.14Å
96S97.3Very high94.4Very high18 Ų1859.2 Ų59.213%0.12634%0.341CS..EExtended strand (participates in β ladder)trans-145.1120.2158.8-171.50000107.3L78 D102 A103L78-S96 PolarHBondContact N-O 2.99Å; L78-S96 PolarHBondContact O-N 3.49Å; S96-D102 VanDerWaalsContact C-OD1 3.3Å; S96-D102 WeakPolarHBondContact CB-OD1 3.39Å; S96-D102 WeakPolarHBondContact OG-CA 3.46Å; S96-D102 WeakPolarHBondContact OG-CB 3.31Å; S96-D102 PolarHBondContact OG-OD1 3.14Å; S96-A103 PolarHBondContact OG-N 3.44Å
97A94.2Very high94.3Very high45 Ų4555.2 Ų55.237%0.37233%0.325SS..  trans-135.168.8-175.500000108.4D77 D102D77-A97 HydrophobicContact CB-CB 3.84Å; D77-A97 WeakPolarHBondContact OD1-CA 3.39Å; D77-A97 WeakPolarHBondContact OD1-CB 3.25Å; A97-D102 PolarHBondContact N-OD1 3.38Å
98T90.1Very high94.2Very high64 Ų6457.3 Ų57.339%0.39334%0.343SS..  trans-117.8148.8-175.871.20000109.6G100 D102T98-G100 PolarHBondContact O-N 3.1Å; T98-D102 WeakPolarHBondContact CB-OD1 3.32Å; T98-D102 PolarHBondContact N-OD1 3.03Å; T98-D102 PolarHBondContact OG1-OD1 3.19Å
99C77Confident94.1Very high123 Ų12363.1 Ų63.183%0.83137%0.366SS*.SBendtrans-73.625.1175.6-51.80000113.4
100G80.7Confident94.2Very high28 Ų2859.6 Ų59.629%0.28935%0.351SS..SBendtrans-140.7-158.4-174.800000111.2T98 D102T98-G100 PolarHBondContact O-N 3.1Å; G100-D102 PolarHBondContact O-N 3.16Å
101P85.5Confident94.2Very high85 Ų8563.2 Ų63.255%0.55235%0.354SS*.  trans-63.4124.4171.6-18.531.7000110.4
102D92.9Very high94.2Very high1 Ų160.4 Ų60.41%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-96.5133.1176.6-80.7-39.5000110.4R68 M69 S96 A97 T98 G100R68-D102 CarbonylContact C-O 3.53Å; R68-D102 WeakPolarHBondContact CA-O 3.16Å; M69-D102 HydrophobicContact CB-CB 4.28Å; M69-D102 HydrophobicContact CE-CB 4.07Å; M69-D102 PolarHBondContact N-O 3.45Å; M69-D102 PolarHBondContact O-N 2.64Å; S96-D102 VanDerWaalsContact C-OD1 3.3Å; S96-D102 WeakPolarHBondContact CB-OD1 3.39Å; S96-D102 WeakPolarHBondContact OG-CA 3.46Å; S96-D102 WeakPolarHBondContact OG-CB 3.31Å; S96-D102 PolarHBondContact OG-OD1 3.14Å; A97-D102 PolarHBondContact N-OD1 3.38Å; T98-D102 WeakPolarHBondContact CB-OD1 3.32Å; T98-D102 PolarHBondContact N-OD1 3.03Å; T98-D102 PolarHBondContact OG1-OD1 3.19Å; G100-D102 PolarHBondContact O-N 3.16Å
103A95.3Very high94.2Very high55 Ų5558.5 Ų58.546%0.45534%0.336SS..EExtended strand (participates in β ladder)trans-136.2130.7179.900000111.9L67 R68 S96L67-A103 CarbonylContact O-C 3.51Å; L67-A103 VanDerWaalsContact O-CA 3.25Å; L67-A103 WeakPolarHBondContact O-CA 3.35Å; R68-A103 HydrophobicContact CG-CB 4.2Å; S96-A103 PolarHBondContact OG-N 3.44Å
104V97.3Very high94.2Very high8 Ų855 Ų555%0.04832%0.319CS..EExtended strand (participates in β ladder)trans-131.1127176.6174.30000109.5V66 L67 L78 V80 L94 I106V66-V104 WeakPolarHBondContact CA-O 3.38Å; L67-V104 PolarHBondContact N-O 2.92Å; L67-V104 PolarHBondContact O-N 2.83Å; L78-V104 HydrophobicContact CD2-CB 4.05Å; L78-V104 HydrophobicContact CD2-CG2 3.78Å; L78-V104 HydrophobicContact CG-CG2 4.34Å; V80-V104 HydrophobicContact CG2-CG1 4.04Å; L94-V104 HydrophobicContact CB-CG1 3.63Å; L94-V104 HydrophobicContact CD1-CG1 3.83Å; L94-V104 HydrophobicContact CG-CG1 4.36Å; V104-I106 HydrophobicContact CG1-CG1 4.23Å
105S97.4Very high94.2Very high59 Ų5952.6 Ų52.641%0.41331%0.307SS..EExtended strand (participates in β ladder)trans-97.7112172.2-168.40000110K64 L94K64-S105 VanDerWaalsContact CE-OG 3.27Å; K64-S105 WeakPolarHBondContact CE-OG 3.28Å; L94-S105 WeakPolarHBondContact CD1-O 3.46Å
106I98.1Very high94.2Very high0 Ų048.8 Ų48.80%029%0.29CS..EExtended strand (participates in β ladder)trans-89.5116.7179.1-55.8175000107.9L59 K64 I65 L67 V80 L94 V104 F110 V114L59-I106 HydrophobicContact CD2-CD1 3.48Å; L59-I106 VanDerWaalsContact CD2-CD1 3.48Å; K64-I106 WeakPolarHBondContact CA-O 3.49Å; I65-I106 HydrophobicContact CB-CB 4.37Å; I65-I106 PolarHBondContact N-O 2.82Å; I65-I106 PolarHBondContact O-N 2.91Å; L67-I106 HydrophobicContact CD1-CD1 3.7Å; L67-I106 HydrophobicContact CD2-CD1 4.42Å; L67-I106 HydrophobicContact CG-CD1 3.89Å; V80-I106 HydrophobicContact CG1-CD1 3.78Å; V80-I106 HydrophobicContact CG1-CG1 4.03Å; V80-I106 HydrophobicContact CG2-CD1 4.48Å; L94-I106 HydrophobicContact CD1-CG1 4.37Å; V104-I106 HydrophobicContact CG1-CG1 4.23Å; I106-F110 HydrophobicContact CG2-CB 4.12Å; I106-F110 HydrophobicContact CG2-CD2 3.71Å; I106-F110 HydrophobicContact CG2-CE2 4.46Å; I106-F110 HydrophobicContact CG2-CG 4.15Å; I106-V114 HydrophobicContact CD1-CG1 4.22Å; I106-V114 HydrophobicContact CG2-CG1 4.4Å; I106-V114 HydrophobicContact CG2-CG2 4.23Å
107P97.1Very high94.3Very high25 Ų2548 Ų4816%0.16228%0.284CS..  trans-71.9159.3-175.832.2-37.1000111.6H109 F110 R112P107-H109 WeakPolarHBondContact CB-CE1 3.36Å; P107-H109 WeakPolarHBondContact CG-CE1 3.44Å; P107-H109 PolarHBondContact O-N 3.45Å; P107-F110 HydrophobicContact CG-CD1 3.33Å; P107-F110 HydrophobicContact CG-CE1 3.49Å; P107-F110 VanDerWaalsContact CG-CE1 3.49Å; P107-F110 HydrophobicContact CG-CG 3.94Å; P107-F110 HydrophobicContact CG-CZ 4.24Å; P107-F110 PolarHBondContact O-N 2.75Å; P107-R112 PolarHBondContact O-NH1 2.75Å
108A95.9Very high94.5Very high45 Ų4545.8 Ų45.837%0.37227%0.266SS..THydrogen-bonded Turntrans-64.4-27-178.700000113.6G63 F110G63-A108 WeakPolarHBondContact O-CA 3.35Å; A108-F110 VanDerWaalsContact C-N 3.3Å; A108-F110 PolarHBondContact O-N 2.73Å
109H95Very high94.8Very high150 Ų15044 Ų4469%0.69425%0.252SS*.THydrogen-bonded Turntrans-80.6-7.1-177.965.3-98.4000114.1P107 R111P107-H109 WeakPolarHBondContact CB-CE1 3.36Å; P107-H109 WeakPolarHBondContact CG-CE1 3.44Å; P107-H109 PolarHBondContact O-N 3.45Å; H109-R111 PolarHBondContact O-N 2.84Å
110F97.2Very high95.8Very high25 Ų2538.1 Ų38.111%0.1121%0.212CC..SBendtrans-65.9122.4175.6-94.931.4000110A82 E93 L94 I106 P107 A108 R112 V114A82-F110 HydrophobicContact CB-CB 3.96Å; A82-F110 HydrophobicContact CB-CD1 4.45Å; A82-F110 HydrophobicContact CB-CD2 3.69Å; A82-F110 HydrophobicContact CB-CE2 4.29Å; A82-F110 HydrophobicContact CB-CG 3.78Å; E93-F110 HydrophobicContact CB-CE2 4.21Å; E93-F110 HydrophobicContact CB-CZ 3.99Å; E93-F110 WeakPolarHBondContact OE2-CE2 3.3Å; E93-F110 WeakPolarHBondContact OE2-CZ 3.21Å; L94-F110 HydrophobicContact CD1-CE2 3.64Å; L94-F110 HydrophobicContact CD1-CZ 3.77Å; L94-F110 HydrophobicContact CD2-CZ 4.43Å; L94-F110 HydrophobicContact CG-CE2 4.02Å; L94-F110 HydrophobicContact CG-CZ 3.89Å; I106-F110 HydrophobicContact CG2-CB 4.12Å; I106-F110 HydrophobicContact CG2-CD2 3.71Å; I106-F110 HydrophobicContact CG2-CE2 4.46Å; I106-F110 HydrophobicContact CG2-CG 4.15Å; P107-F110 HydrophobicContact CG-CD1 3.33Å; P107-F110 HydrophobicContact CG-CE1 3.49Å; P107-F110 VanDerWaalsContact CG-CE1 3.49Å; P107-F110 HydrophobicContact CG-CG 3.94Å; P107-F110 HydrophobicContact CG-CZ 4.24Å; P107-F110 PolarHBondContact O-N 2.75Å; A108-F110 VanDerWaalsContact C-N 3.3Å; A108-F110 PolarHBondContact O-N 2.73Å; F110-R112 PolarHBondContact O-N 3.48Å; F110-R112 PolarHBondContact O-NH1 2.93Å; F110-V114 HydrophobicContact CB-CG2 3.86Å; F110-V114 HydrophobicContact CD2-CG1 4.49Å; F110-V114 HydrophobicContact CD2-CG2 4.01Å; F110-V114 HydrophobicContact CG-CG2 4.46Å
111R96.4Very high96.5Very high208 Ų20840.1 Ų40.179%0.78521%0.214SC*.PPolyproline II helixtrans-57.8126.3178.5-177.4179.4176.4175-0.5110.6H109H109-R111 PolarHBondContact O-N 2.84Å
112R97.4Very high97.1Very high28 Ų2839.8 Ų39.811%0.10621%0.212CC..SBendtrans-84.7149.8174.8-56.5-50.3-170.3-127.27.8111.6H61 E62 G63 P107 F110H61-R112 PolarHBondContact O-NE 2.62Å; H61-R112 PolarHBondContact O-NH2 3.38Å; E62-R112 WeakPolarHBondContact OE1-CG 3.37Å; G63-R112 PolarHBondContact O-NH2 2.94Å; P107-R112 PolarHBondContact O-NH1 2.75Å; F110-R112 PolarHBondContact O-N 3.48Å; F110-R112 PolarHBondContact O-NH1 2.93Å
113P98.1Very high97.2Very high52 Ų5243.4 Ų43.434%0.33824%0.237SC..SBendcis-70.2140.3-7.127.3-33.7000113L59 N60 L85L59-P113 CarbonylContact O-C 3.53Å; L59-P113 VanDerWaalsContact O-CA 3.3Å; L59-P113 WeakPolarHBondContact O-CA 3.39Å; N60-P113 WeakPolarHBondContact OD1-CB 2.95Å; L85-P113 HydrophobicContact CD2-CB 4.1Å; L85-P113 HydrophobicContact CD2-CG 3.95Å
114V98.6Very high97.2Very high0 Ų044.1 Ų44.10%023%0.231CC..EExtended strand (participates in β ladder)trans-85.5132169.3169.90000109.2L59 V80 S81 A82 I106 F110L59-V114 HydrophobicContact CB-CB 4.24Å; L59-V114 HydrophobicContact CD2-CB 4.48Å; L59-V114 PolarHBondContact N-O 2.86Å; L59-V114 PolarHBondContact O-N 2.73Å; V80-V114 HydrophobicContact CG1-CG1 3.28Å; S81-V114 WeakPolarHBondContact O-CG1 3.37Å; A82-V114 HydrophobicContact CB-CG2 4.29Å; I106-V114 HydrophobicContact CD1-CG1 4.22Å; I106-V114 HydrophobicContact CG2-CG1 4.4Å; I106-V114 HydrophobicContact CG2-CG2 4.23Å; F110-V114 HydrophobicContact CB-CG2 3.86Å; F110-V114 HydrophobicContact CD2-CG1 4.49Å; F110-V114 HydrophobicContact CD2-CG2 4.01Å; F110-V114 HydrophobicContact CG-CG2 4.46Å
115G98.6Very high97.2Very high0 Ų051.6 Ų51.60%027%0.27CS..EExtended strand (participates in β ladder)trans-79.4134.4172.200000111.1V80 S81 S84V80-G115 WeakPolarHBondContact CA-O 3.39Å; S81-G115 PolarHBondContact N-O 3.47Å; S81-G115 PolarHBondContact O-N 2.96Å; S84-G115 WeakPolarHBondContact O-CA 3.3Å
116I98.7Very high97.2Very high6 Ų651.9 Ų51.93%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-123.2125174.2-59.5164.1000107.2Y56 L57 L59 L67 L78 Y79 V80 M131Y56-I116 CarbonylContact C-O 3.54Å; Y56-I116 WeakPolarHBondContact CA-O 3.34Å; L57-I116 HydrophobicContact CB-CB 4.15Å; L57-I116 PolarHBondContact N-O 2.76Å; L57-I116 PolarHBondContact O-N 3.37Å; L59-I116 HydrophobicContact CB-CD1 3.87Å; L67-I116 HydrophobicContact CD1-CD1 3.65Å; L67-I116 HydrophobicContact CD1-CG1 3.95Å; L67-I116 HydrophobicContact CD1-CG2 4.19Å; L67-I116 HydrophobicContact CD2-CD1 4.17Å; L78-I116 HydrophobicContact CD1-CG2 3.53Å; Y79-I116 CarbonylContact O-C 3.52Å; Y79-I116 WeakPolarHBondContact O-CA 3.48Å; V80-I116 HydrophobicContact CG2-CG1 4.38Å; I116-M131 HydrophobicContact CG2-CE 4.45Å
117G98.4Very high97.2Very high0 Ų051.9 Ų51.90%026%0.264CS..EExtended strand (participates in β ladder)trans-112123.7173.600000109.3Y79Y79-G117 PolarHBondContact N-O 3.29Å; Y79-G117 PolarHBondContact O-N 3.29Å
118V98.3Very high97.2Very high0 Ų053.6 Ų53.60%027%0.27CS..EExtended strand (participates in β ladder)trans-104122.2169-171.80000107.6I49 Y54 S55 M69 A76 D77 L78 F129I49-V118 HydrophobicContact CD1-CB 3.62Å; I49-V118 HydrophobicContact CD1-CG1 3.34Å; Y54-V118 CarbonylContact C-O 3.58Å; Y54-V118 VanDerWaalsContact CA-O 3.3Å; Y54-V118 WeakPolarHBondContact CA-O 3.33Å; S55-V118 PolarHBondContact N-O 3.32Å; S55-V118 PolarHBondContact O-N 2.82Å; M69-V118 HydrophobicContact CE-CG1 4.42Å; M69-V118 HydrophobicContact SD-CG1 3.71Å; M69-V118 HydrophobicContact SD-CG2 4.31Å; A76-V118 HydrophobicContact CB-CG1 4.05Å; D77-V118 CarbonylContact O-C 3.51Å; D77-V118 WeakPolarHBondContact O-CA 3.41Å; L78-V118 HydrophobicContact CD1-CG2 4.12Å; V118-F129 HydrophobicContact CB-CE1 4.42Å; V118-F129 HydrophobicContact CB-CZ 4.28Å; V118-F129 HydrophobicContact CG1-CD1 4.01Å; V118-F129 HydrophobicContact CG1-CD2 4.45Å; V118-F129 HydrophobicContact CG1-CE1 3.93Å; V118-F129 HydrophobicContact CG1-CE2 4.37Å; V118-F129 HydrophobicContact CG1-CG 4.28Å; V118-F129 HydrophobicContact CG1-CZ 4.11Å; V118-F129 HydrophobicContact CG2-CE2 4.18Å; V118-F129 HydrophobicContact CG2-CZ 4.1Å
119Y98Very high97.3Very high26 Ų2651.6 Ų51.610%0.10225%0.253CS..EExtended strand (participates in β ladder)trans-107.5133.4-175-179.5-118.7000110.8G52 N53 Y54 A76 D77 Y79 P122G52-Y119 VanDerWaalsContact C-CE2 3.48Å; N53-Y119 WeakPolarHBondContact O-CD2 3.44Å; Y54-Y119 HydrophobicContact CD1-CD2 4.1Å; Y54-Y119 AromaticContact CD2-CD2 3.83Å; Y54-Y119 HydrophobicContact CD2-CD2 3.83Å; Y54-Y119 HydrophobicContact CD2-CE2 4.32Å; Y54-Y119 AromaticContact CE1-CD2 3.66Å; Y54-Y119 HydrophobicContact CE1-CD2 3.66Å; Y54-Y119 AromaticContact CE1-CG 3.93Å; Y54-Y119 HydrophobicContact CE1-CG 3.93Å; Y54-Y119 AromaticContact CE2-CD2 3.36Å; Y54-Y119 HydrophobicContact CE2-CD2 3.36Å; Y54-Y119 AromaticContact CE2-CE2 3.68Å; Y54-Y119 HydrophobicContact CE2-CE2 3.68Å; Y54-Y119 HydrophobicContact CE2-CG 4.37Å; Y54-Y119 HydrophobicContact CG-CD2 4.17Å; Y54-Y119 AromaticContact CZ-CD2 3.24Å; Y54-Y119 AromaticContact CZ-CE2 3.88Å; Y54-Y119 AromaticContact CZ-CG 3.83Å; A76-Y119 CarbonylContact C-O 3.54Å; A76-Y119 VanDerWaalsContact CA-O 3.26Å; A76-Y119 WeakPolarHBondContact CA-O 3.46Å; D77-Y119 PolarHBondContact N-O 2.81Å; D77-Y119 PolarHBondContact O-N 2.9Å; Y79-Y119 HydrophobicContact CE2-CD1 4.48Å; Y79-Y119 HydrophobicContact CE2-CG 4.41Å; Y119-P122 WeakPolarHBondContact OH-CG 3.46Å
120G97.7Very high97.4Very high0 Ų046.1 Ų46.10%023%0.228CC..EExtended strand (participates in β ladder)trans-85.2114.3170.700000110.9G52 N53G52-G120 PolarHBondContact N-O 2.82Å; N53-G120 PolarHBondContact O-N 2.82Å
121H95.7Very high97.4Very high70 Ų7045 Ų4532%0.32422%0.223SC..  trans-62.7134.9-177.6-169.6-90.4000111.6D75 D77 S123 H124D75-H121 HydrophobicContact CB-CB 3.93Å; D75-H121 WeakPolarHBondContact O-CB 3.48Å; D75-H121 PolarHBondContact O-N 3.19Å; D77-H121 IonicContact OD2-CD2 3.77Å; H121-S123 WeakPolarHBondContact ND1-CB 3.45Å; H121-S123 PolarHBondContact ND1-N 2.84Å; H121-S123 PolarHBondContact ND1-OG 2.8Å; H121-S123 PolarHBondContact O-N 3.26Å; H121-H124 PolarHBondContact O-N 3.43Å; H121-H124 VanDerWaalsContact O-N 3.09Å
122P96.5Very high97.5Very high77 Ų7737.8 Ų37.850%0.520%0.197SC..THydrogen-bonded Turntrans-62.9-16.7-173.1-26.135000116.5Y119 H124Y119-P122 WeakPolarHBondContact OH-CG 3.46Å; P122-H124 PolarHBondContact O-N 3.23Å
123S95.2Very high97.5Very high77 Ų7736.9 Ų36.954%0.53820%0.195SC..THydrogen-bonded Turntrans-69-16.5175.660.20000113.2H121H121-S123 WeakPolarHBondContact ND1-CB 3.45Å; H121-S123 PolarHBondContact ND1-N 2.84Å; H121-S123 PolarHBondContact ND1-OG 2.8Å; H121-S123 PolarHBondContact O-N 3.26Å
124H95.9Very high97.5Very high71 Ų7135.1 Ų35.133%0.32918%0.182SC..SBendtrans-117.4128.9178.3-59.4-73000108.9A51 G74 D75 H121 P122 E126A51-H124 WeakPolarHBondContact CB-O 3.43Å; G74-H124 VanDerWaalsContact CA-CG 3.47Å; D75-H124 WeakPolarHBondContact CB-CD2 3.22Å; D75-H124 PolarHBondContact N-CD2 3.37Å; H121-H124 PolarHBondContact O-N 3.43Å; H121-H124 VanDerWaalsContact O-N 3.09Å; P122-H124 PolarHBondContact O-N 3.23Å; H124-E126 PolarHBondContact O-N 3.08Å; H124-E126 VanDerWaalsContact O-N 3.17Å
125L97.4Very high97.4Very high164 Ų16439.8 Ų39.886%0.85920%0.2SC*.SBendtrans-58-31.8178.7-69.1175000112A51A51-L125 PolarHBondContact N-O 3.48Å
126E97.6Very high97.3Very high65 Ų6540.1 Ų40.130%0.30420%0.202SC..EExtended strand (participates in β ladder)trans-154.6138.8-177.5-176.1-174.2-94.300109.1Q48 I49 K73 H124Q48-E126 HydrophobicContact CG-CG 3.54Å; Q48-E126 PolarHBondContact NE2-OE1 3.26Å; Q48-E126 VanDerWaalsContact NE2-OE1 3.11Å; Q48-E126 PolarHBondContact NE2-OE2 3.27Å; I49-E126 WeakPolarHBondContact O-CA 3.24Å; K73-E126 IonicContact NZ-OE2 2.73Å; K73-E126 PolarHBondContact NZ-OE2 3.26Å; H124-E126 PolarHBondContact O-N 3.08Å; H124-E126 VanDerWaalsContact O-N 3.17Å
127S97.4Very high97Very high0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-119135.6174.3-56.80000109.8Q48 I49 K73 D75Q48-S127 CarbonylContact C-O 3.59Å; Q48-S127 WeakPolarHBondContact CA-O 3.49Å; I49-S127 PolarHBondContact N-O 3.4Å; I49-S127 PolarHBondContact O-N 3.39Å; K73-S127 CarbonylContact O-C 3.56Å; K73-S127 WeakPolarHBondContact O-CA 3.19Å; D75-S127 VanDerWaalsContact C-OG 3.26Å; D75-S127 PolarHBondContact N-OG 3.22Å; D75-S127 WeakPolarHBondContact O-CB 3.47Å; D75-S127 PolarHBondContact O-OG 3.32Å
128E97.8Very high96.6Very high61 Ų6144.3 Ų44.329%0.28523%0.234SC..EExtended strand (participates in β ladder)trans-114.5137173.7-64168.6-146.400107.8G47 Q48 S71 L72 K73G47-E128 WeakPolarHBondContact O-CA 3.38Å; Q48-E128 HydrophobicContact CB-CG 4.28Å; Q48-E128 HydrophobicContact CG-CG 3.92Å; Q48-E128 PolarHBondContact NE2-OE1 2.97Å; S71-E128 CarbonylContact C-O 3.51Å; L72-E128 HydrophobicContact CB-CB 4.24Å; L72-E128 PolarHBondContact N-O 3.12Å; K73-E128 HydrophobicContact CB-CB 4.01Å; K73-E128 HydrophobicContact CB-CG 4.26Å; K73-E128 HydrophobicContact CD-CG 4.21Å; K73-E128 WeakPolarHBondContact CD-OE1 3.33Å; K73-E128 PolarHBondContact N-O 2.87Å; K73-E128 IonicContact NZ-OE1 3.12Å; K73-E128 PolarHBondContact NZ-OE1 3.05Å; K73-E128 VanDerWaalsContact NZ-OE1 3.12Å; K73-E128 PolarHBondContact O-N 3.42Å
129F96.7Very high95.3Very high3 Ų350.3 Ų50.31%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-139.5156.1-175.771.9-84000112.4Q46 G47 I49 M69 R70 A76 V118 M131Q46-F129 WeakPolarHBondContact CA-O 3.48Å; G47-F129 PolarHBondContact N-O 3.27Å; G47-F129 VanDerWaalsContact N-O 3.09Å; G47-F129 WeakPolarHBondContact O-CD1 3.34Å; G47-F129 PolarHBondContact O-N 2.93Å; I49-F129 HydrophobicContact CD1-CD1 3.79Å; I49-F129 HydrophobicContact CD1-CE1 3.34Å; I49-F129 HydrophobicContact CD1-CZ 4.25Å; I49-F129 HydrophobicContact CG1-CD1 4.48Å; I49-F129 HydrophobicContact CG1-CE1 3.94Å; M69-F129 HydrophobicContact CG-CB 4.14Å; M69-F129 HydrophobicContact CG-CD2 3.99Å; M69-F129 HydrophobicContact CG-CG 4.42Å; M69-F129 HydrophobicContact SD-CB 4.23Å; M69-F129 HydrophobicContact SD-CD2 3.85Å; M69-F129 HydrophobicContact SD-CG 4.14Å; R70-F129 VanDerWaalsContact O-CA 3.31Å; R70-F129 WeakPolarHBondContact O-CA 3.45Å; A76-F129 HydrophobicContact CB-CB 4.09Å; V118-F129 HydrophobicContact CB-CE1 4.42Å; V118-F129 HydrophobicContact CB-CZ 4.28Å; V118-F129 HydrophobicContact CG1-CD1 4.01Å; V118-F129 HydrophobicContact CG1-CD2 4.45Å; V118-F129 HydrophobicContact CG1-CE1 3.93Å; V118-F129 HydrophobicContact CG1-CE2 4.37Å; V118-F129 HydrophobicContact CG1-CG 4.28Å; V118-F129 HydrophobicContact CG1-CZ 4.11Å; V118-F129 HydrophobicContact CG2-CE2 4.18Å; V118-F129 HydrophobicContact CG2-CZ 4.1Å; F129-M131 HydrophobicContact CD2-CB 4.21Å; F129-M131 HydrophobicContact CE2-CB 4.24Å
130E97.4Very high93.6Very high36 Ų3653.6 Ų53.617%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-121.2127.2164.1179.1178100.700108.6V44 V45 Q46 M69 R70 L72 K132V44-E130 HydrophobicContact CG1-CG 3.78Å; V45-E130 CarbonylContact O-C 3.53Å; V45-E130 WeakPolarHBondContact O-CA 3.22Å; Q46-E130 HydrophobicContact CG-CB 4.09Å; Q46-E130 HydrophobicContact CG-CG 4.01Å; Q46-E130 PolarHBondContact NE2-OE2 3.37Å; M69-E130 CarbonylContact C-O 3.55Å; M69-E130 WeakPolarHBondContact CA-O 3.44Å; R70-E130 PolarHBondContact N-O 3.47Å; R70-E130 PolarHBondContact O-N 3.29Å; L72-E130 HydrophobicContact CD1-CB 4.31Å; L72-E130 HydrophobicContact CD2-CB 4.38Å; L72-E130 HydrophobicContact CG-CB 4.44Å; E130-K132 WeakPolarHBondContact OE1-CE 3.45Å; E130-K132 IonicContact OE1-NZ 3.94Å
131M97.6Very high91.2Very high2 Ų261.8 Ų61.81%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-118120.7174.6-176.2172.461.100110.4V44 V45 L57 L67 R68 M69 L78 I116 F129V44-M131 WeakPolarHBondContact CA-O 3.38Å; V45-M131 PolarHBondContact N-O 3.04Å; V45-M131 PolarHBondContact O-N 3.24Å; L57-M131 HydrophobicContact CD1-CE 3.38Å; L67-M131 HydrophobicContact CB-SD 4.1Å; L67-M131 HydrophobicContact CD1-SD 4.17Å; L67-M131 HydrophobicContact CD2-SD 4.23Å; L67-M131 HydrophobicContact CG-SD 4.4Å; R68-M131 CarbonylContact O-C 3.57Å; R68-M131 WeakPolarHBondContact O-CA 3.16Å; M69-M131 HydrophobicContact CB-CB 4.19Å; M69-M131 HydrophobicContact CB-CG 4.18Å; M69-M131 HydrophobicContact CG-CB 4.15Å; L78-M131 HydrophobicContact CD1-SD 4Å; I116-M131 HydrophobicContact CG2-CE 4.45Å; F129-M131 HydrophobicContact CD2-CB 4.21Å; F129-M131 HydrophobicContact CE2-CB 4.24Å
132K97.7Very high88.9Confident55 Ų5565.4 Ų65.424%0.23934%0.342CS..EExtended strand (participates in β ladder)trans-95.6130.7171.5-61.6-176.9-173.4172.30109L41 V44 R68 E130 Y134L41-K132 HydrophobicContact CD1-CB 3.84Å; L41-K132 HydrophobicContact CD1-CG 4.37Å; V44-K132 HydrophobicContact CG1-CG 4.43Å; V44-K132 HydrophobicContact CG2-CG 4.25Å; R68-K132 PolarHBondContact N-O 3.38Å; R68-K132 PolarHBondContact O-N 3.02Å; E130-K132 WeakPolarHBondContact OE1-CE 3.45Å; E130-K132 IonicContact OE1-NZ 3.94Å; K132-Y134 HydrophobicContact CB-CD2 4.25Å; K132-Y134 HydrophobicContact CB-CE2 3.4Å; K132-Y134 HydrophobicContact CD-CE2 4.42Å; K132-Y134 WeakPolarHBondContact CD-OH 3.48Å
133V98.2Very high86.7Confident9 Ų967.2 Ų67.26%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-109.4116.4-179-175.60000108.1L42 H43 L59 I65 L67L42-V133 WeakPolarHBondContact CB-O 3.45Å; L42-V133 PolarHBondContact N-O 2.87Å; H43-V133 HydrophobicContact CB-CB 4.14Å; H43-V133 HydrophobicContact CB-CG2 4.24Å; H43-V133 PolarHBondContact N-O 3.12Å; H43-V133 PolarHBondContact O-N 2.98Å; L59-V133 HydrophobicContact CD1-CG1 4.36Å; I65-V133 HydrophobicContact CG2-CG1 3.64Å; L67-V133 HydrophobicContact CD2-CB 4.32Å; L67-V133 HydrophobicContact CD2-CG1 3.93Å; L67-V133 HydrophobicContact CD2-CG2 3.88Å
134Y98.1Very high84.6Confident15 Ų1572.6 Ų72.66%0.05937%0.368CS..EExtended strand (participates in β ladder)trans-110.4143.2-178.7-61.2-89.8000111V35 W39 V40 L41 I65 V66 R68 K132V35-Y134 HydrophobicContact CG1-CD1 4.18Å; V35-Y134 HydrophobicContact CG1-CE1 3.76Å; V35-Y134 HydrophobicContact CG2-CE1 4.41Å; W39-Y134 HydrophobicContact CB-CD1 4.15Å; W39-Y134 HydrophobicContact CB-CG 4.49Å; W39-Y134 HydrophobicContact CE3-CD1 4.46Å; W39-Y134 HydrophobicContact CE3-CD2 4.28Å; W39-Y134 HydrophobicContact CE3-CG 4.05Å; V40-Y134 CarbonylContact O-C 3.58Å; V40-Y134 VanDerWaalsContact O-CA 3.32Å; V40-Y134 WeakPolarHBondContact O-CA 3.26Å; L41-Y134 HydrophobicContact CB-CD1 3.99Å; L41-Y134 HydrophobicContact CB-CE1 3.82Å; L41-Y134 HydrophobicContact CD1-CD1 4.06Å; L41-Y134 HydrophobicContact CD1-CE1 3.7Å; L41-Y134 HydrophobicContact CD1-CE2 4.33Å; L41-Y134 HydrophobicContact CG-CE1 4.31Å; I65-Y134 CarbonylContact C-O 3.57Å; I65-Y134 VanDerWaalsContact CA-O 3.31Å; I65-Y134 WeakPolarHBondContact CA-O 3.49Å; I65-Y134 WeakPolarHBondContact CG2-O 3.27Å; V66-Y134 PolarHBondContact N-O 3.45Å; V66-Y134 PolarHBondContact O-N 2.83Å; R68-Y134 HydrophobicContact CB-CE2 4.16Å; R68-Y134 HydrophobicContact CG-CE2 4.36Å; K132-Y134 HydrophobicContact CB-CD2 4.25Å; K132-Y134 HydrophobicContact CB-CE2 3.4Å; K132-Y134 HydrophobicContact CD-CE2 4.42Å; K132-Y134 WeakPolarHBondContact CD-OH 3.48Å
135Y97.4Very high82.3Confident98 Ų9872.6 Ų72.638%0.38439%0.388SS..EExtended strand (participates in β ladder)trans-88.7125.6161.1177.5-99.5000108.8W39 V40 I65W39-Y135 WeakPolarHBondContact CA-O 3.36Å; V40-Y135 PolarHBondContact N-O 3.26Å; V40-Y135 PolarHBondContact O-N 2.97Å; I65-Y135 HydrophobicContact CD1-CD2 3.94Å
136D96.3Very high79.8Confident8 Ų873.9 Ų73.94%0.04339%0.389CS..EExtended strand (participates in β ladder)trans-92.5106.2175.2-177.6-8000109.1W39 K64 V66 T138W39-D136 PolarHBondContact NE1-OD1 2.79Å; W39-D136 PolarHBondContact NE1-OD2 2.84Å; K64-D136 HydrophobicContact CB-CB 4.2Å; K64-D136 HydrophobicContact CD-CB 3.97Å; K64-D136 WeakPolarHBondContact CD-OD2 3.36Å; K64-D136 WeakPolarHBondContact CE-OD2 3.47Å; K64-D136 HydrophobicContact CG-CB 4Å; K64-D136 IonicContact NZ-OD2 2.73Å; K64-D136 PolarHBondContact NZ-OD2 3.43Å; K64-D136 PolarHBondContact O-N 3.11Å; V66-D136 HydrophobicContact CG2-CB 4.19Å; D136-T138 VanDerWaalsContact CG-OG1 3.23Å; D136-T138 PolarHBondContact O-N 2.92Å; D136-T138 VanDerWaalsContact OD1-CB 3.28Å; D136-T138 WeakPolarHBondContact OD1-CB 3.31Å; D136-T138 VanDerWaalsContact OD1-CG2 3.24Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.34Å; D136-T138 PolarHBondContact OD1-N 2.83Å; D136-T138 PolarHBondContact OD1-OG1 2.83Å; D136-T138 PolarHBondContact OD2-OG1 2.81Å
137G91.9Very high77.1Confident34 Ų3475 Ų7535%0.35141%0.41SS..  trans-803.3-179.300000114.8E38 V139E38-G137 PolarHBondContact O-N 2.89Å; G137-V139 PolarHBondContact O-N 2.76Å
138T88.9Confident74.5Confident59 Ų5979 Ų7936%0.36244%0.443SS..  trans-62123.9177.155.90000110.2E38 D136 E140E38-T138 HydrophobicContact CB-CG2 4.01Å; E38-T138 HydrophobicContact CG-CG2 4.1Å; D136-T138 VanDerWaalsContact CG-OG1 3.23Å; D136-T138 PolarHBondContact O-N 2.92Å; D136-T138 VanDerWaalsContact OD1-CB 3.28Å; D136-T138 WeakPolarHBondContact OD1-CB 3.31Å; D136-T138 VanDerWaalsContact OD1-CG2 3.24Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.34Å; D136-T138 PolarHBondContact OD1-N 2.83Å; D136-T138 PolarHBondContact OD1-OG1 2.83Å; D136-T138 PolarHBondContact OD2-OG1 2.81Å; T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact O-N 3.14Å
139V72.7Confident72Confident126 Ų12687.3 Ų87.376%0.76447%0.473SS*.  trans-66.7114.6177.1-178.10000107.4G137 Q141G137-V139 PolarHBondContact O-N 2.76Å; V139-Q141 VanDerWaalsContact C-N 3.29Å; V139-Q141 PolarHBondContact O-N 3.28Å
140E62.2Low69.4Low95 Ų9593 Ų9344%0.44451%0.511SS..  trans-65.693.9171.8-66-142.1163.400108.6T138 H142T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact O-N 3.14Å; E140-H142 PolarHBondContact O-N 2.78Å
141Q46.4Very low67.1Low173 Ų17396.1 Ų96.181%0.80854%0.542SS*.  trans-68.590.7163.9-68.7-179.812.200106.6V139 P143V139-Q141 VanDerWaalsContact C-N 3.29Å; V139-Q141 PolarHBondContact O-N 3.28Å; Q141-P143 WeakPolarHBondContact O-CD 3.44Å; Q141-P143 VanDerWaalsContact O-N 3.09Å
142H48.1Very low64.3Low145 Ų145104 Ų10467%0.67158%0.584SS**  trans-55.8115170.4-83.2-65.5000108.7E140 F144E140-H142 PolarHBondContact O-N 2.78Å; H142-F144 PolarHBondContact O-N 3.19Å
143P50.7Low61.4Low116 Ų116104.4 Ų104.475%0.75361%0.605SS**SBendtrans-72.80.3-177.1-14.630000113.4Q141Q141-P143 WeakPolarHBondContact O-CD 3.44Å; Q141-P143 VanDerWaalsContact O-N 3.09Å
144F50.8Low58.4Low189 Ų189109 Ų10983%0.82964%0.643SS**  trans-138.462.4-172.8-79.8-88.2000110.9H142H142-F144 PolarHBondContact O-N 3.19Å
145G47.8Very low55.6Low72 Ų72116 Ų11674%0.74268%0.681SS**SBendtrans-113.3-5.3165.800000114
146E44.9Very low52.7Low191 Ų191115.8 Ų115.889%0.89370%0.7SS**  trans-141.355.6-169-153.6138.4-171.500111.8A148E146-A148 PolarHBondContact O-N 3.49Å
147A40.9Very low49.8Very low89 Ų89118.9 Ų118.974%0.73673%0.734SS**  trans-91.287.9163.800000109.1
148A42.8Very low47.1Very low83 Ų83126.5 Ų126.569%0.68676%0.76SS**  trans39101.4144.700000118E146 P150E146-A148 PolarHBondContact O-N 3.49Å; A148-P150 WeakPolarHBondContact O-CD 3.48Å
149Y44.7Very low45Very low235 Ų235133.1 Ų133.192%0.92278%0.784SS**  trans-60.2121.6143.6-68.6-83.7000108.2A151Y149-A151 PolarHBondContact O-N 2.89Å
150P42.1Very low43.1Very low124 Ų124136.2 Ų136.281%0.80579%0.79SS**  trans-77.5104.5164.830.4-26000107.2A148 D152A148-P150 WeakPolarHBondContact O-CD 3.48Å; P150-D152 PolarHBondContact O-N 2.89Å
151A47.9Very low42.2Very low101 Ų101136.4 Ų136.484%0.83581%0.808SS**  trans-80.797.6161.600000108.3Y149Y149-A151 PolarHBondContact O-N 2.89Å
152D38.7Very low41.7Very low166 Ų166140 Ų14089%0.88881%0.814SS**  trans-163.6122.3157.6-152.515.2000108.7P150P150-D152 PolarHBondContact O-N 2.89Å
153G37.8Very low41.3Very low65 Ų65136.8 Ų136.867%0.6781%0.812SS**  cis-175.5170.23.900000110.2
154A35.4Very low40.9Very low104 Ų104137.4 Ų137.486%0.8682%0.816SS**  trans15893.7146.200000110.8
155D38.4Very low40.8Very low162 Ų162136.2 Ų136.287%0.86681%0.813SS**  trans12.1117.2139.9-16425000119.1
156A36.8Very low40.9Very low94 Ų94138.9 Ų138.978%0.77781%0.81SS**  172.8119.8114.800000112
157G36Very low41.1Very low73 Ų73133.4 Ų133.475%0.75380%0.798SS**  trans103.7125.5141.200000119.2
158Q35.2Very low41.6Very low194 Ų194133.2 Ų133.291%0.90779%0.791SS**  trans88.1103.4150.8-65-177.8-11.200119.8
159K43.6Very low41.9Very low199 Ų199134.6 Ų134.687%0.86578%0.783SS**  trans-11.9123.4143.2-61.5174177.6177.70114.8
160H33Very low42.5Very low191 Ų191130.4 Ų130.488%0.88477%0.772SS**  -168.3136.2124.8-100.4-67.7000109.8
161A44.8Very low43.3Very low98 Ų98130.9 Ų130.981%0.8176%0.764SS**  trans-63.5135.3174.400000111.5
162R34.6Very low43.9Very low250 Ų250131.2 Ų131.294%0.94375%0.748SS**  trans-160.1127.5153.6-133.3170.7-179.3131.9-2.3110.5
163A39.3Very low45.7Very low76 Ų76126.7 Ų126.763%0.62873%0.729SS**  trans-68156.2171.400000111
164P42.3Very low47.9Very low130 Ų130127.9 Ų127.984%0.84472%0.724SS**  trans-98.9102.1169.233.8-21.4000109.6
165E49.6Very low50.4Low163 Ų163128.6 Ų128.676%0.76271%0.712SS**  trans-131.567.6168-63.9-176161.100107.5
166D49.3Very low52.8Low128 Ų128129.2 Ų129.268%0.68470%0.702SS**  trans-149.562.3179.6-85.9-40.4000110.6
167A49.7Very low55.3Low77 Ų77129 Ų12964%0.63669%0.692SS**SBendtrans-138.7-21.7161.900000112.1
168S50.6Low58Low84 Ų84129.9 Ų129.959%0.58768%0.678SS**SBendtrans-88.7-15176.255.50000114.3E172S168-E172 PolarHBondContact O-N 2.78Å
169Q50.3Low60.8Low112 Ų112125.9 Ų125.952%0.52366%0.663SS.*Hα-helixtrans-75.3-26.1-173.7-129.4-17612.700113.6E172 S173Q169-E172 WeakPolarHBondContact CA-OE1 3.1Å; Q169-E172 HydrophobicContact CG-CG 4.46Å; Q169-E172 WeakPolarHBondContact CG-OE1 3.34Å; Q169-E172 WeakPolarHBondContact O-CG 3.4Å; Q169-S173 PolarHBondContact O-OG 2.97Å
170E56.4Low63.2Low148 Ų148120 Ų12069%0.69264%0.64SS**Hα-helixtrans-76.7-37.1-179.7-51.4-172.2-159.900111S173E170-S173 PolarHBondContact O-N 3.11Å
171E59Low66Low134 Ų134114.8 Ų114.863%0.62663%0.625SS**Hα-helixtrans-71.1-38.1-179.3-52.7-170.2153.400112.2S173 V174 L175E171-S173 VanDerWaalsContact C-N 3.28Å; E171-S173 PolarHBondContact O-N 2.88Å; E171-V174 PolarHBondContact O-N 3.29Å; E171-L175 WeakPolarHBondContact O-CG 3.34Å; E171-L175 PolarHBondContact O-N 2.78Å
172E60.3Low68.3Low108 Ų108115.1 Ų115.151%0.50561%0.612SS.*Hα-helixtrans-64.6-33.2177.558.9174.3146.700112.3S168 Q169 W176S168-E172 PolarHBondContact O-N 2.78Å; Q169-E172 WeakPolarHBondContact CA-OE1 3.1Å; Q169-E172 HydrophobicContact CG-CG 4.46Å; Q169-E172 WeakPolarHBondContact CG-OE1 3.34Å; Q169-E172 WeakPolarHBondContact O-CG 3.4Å; E172-W176 VanDerWaalsContact O-CB 3.22Å; E172-W176 WeakPolarHBondContact O-CB 3.22Å; E172-W176 PolarHBondContact O-N 2.94Å
173S76.9Confident71.2Confident71 Ų71108.7 Ų108.750%0.49760%0.596SS.*Hα-helixtrans-69.2-37.2179.5-64.40000112.5Q169 E170 E171 T177Q169-S173 PolarHBondContact O-OG 2.97Å; E170-S173 PolarHBondContact O-N 3.11Å; E171-S173 VanDerWaalsContact C-N 3.28Å; E171-S173 PolarHBondContact O-N 2.88Å; S173-T177 PolarHBondContact O-N 2.85Å; S173-T177 PolarHBondContact O-OG1 2.86Å
174V84.3Confident73.7Confident90 Ų90112.2 Ų112.255%0.54560%0.597SS.*Hα-helixtrans-71.7-46.9178.61790000110.7E171 W176 T177 I178E171-V174 PolarHBondContact O-N 3.29Å; V174-W176 VanDerWaalsContact C-N 3.33Å; V174-W176 PolarHBondContact O-N 2.84Å; V174-T177 PolarHBondContact O-N 2.93Å; V174-I178 HydrophobicContact CG1-CD1 4.15Å; V174-I178 WeakPolarHBondContact O-CG1 3.3Å; V174-I178 PolarHBondContact O-N 3.41Å; V174-I178 VanDerWaalsContact O-N 3.13Å
175L88.1Confident76.1Confident119 Ų119110.9 Ų110.962%0.62358%0.582SS**Hα-helixtrans-63.3-39.5-179.9-66.8175.6000112.2E171 T177 I178 L179E171-L175 WeakPolarHBondContact O-CG 3.34Å; E171-L175 PolarHBondContact O-N 2.78Å; L175-T177 VanDerWaalsContact C-N 3.32Å; L175-T177 PolarHBondContact O-N 3.03Å; L175-I178 PolarHBondContact O-N 2.71Å; L175-L179 PolarHBondContact O-N 2.73Å
176W88.3Confident78.2Confident174 Ų174106.4 Ų106.466%0.65957%0.565SS**Hα-helixtrans-66.1-36.2178.1-161.877.4000112.2E172 V174 L179 I180E172-W176 VanDerWaalsContact O-CB 3.22Å; E172-W176 WeakPolarHBondContact O-CB 3.22Å; E172-W176 PolarHBondContact O-N 2.94Å; V174-W176 VanDerWaalsContact C-N 3.33Å; V174-W176 PolarHBondContact O-N 2.84Å; W176-L179 PolarHBondContact O-N 3.2Å; W176-I180 HydrophobicContact CD2-CD1 3.74Å; W176-I180 HydrophobicContact CE3-CD1 3.38Å; W176-I180 HydrophobicContact CH2-CD1 3.5Å; W176-I180 VanDerWaalsContact CH2-CD1 3.5Å; W176-I180 HydrophobicContact CZ2-CD1 3.83Å; W176-I180 HydrophobicContact CZ3-CD1 3.26Å; W176-I180 WeakPolarHBondContact O-CG1 3.4Å; W176-I180 PolarHBondContact O-N 2.75Å; W176-I180 VanDerWaalsContact O-N 3.11Å
177T90.4Very high80.1Confident91 Ų91106.2 Ų106.256%0.55856%0.564SS**Hα-helixtrans-66.1-41.5175.7-54.40000111.7S173 V174 L175 I180 S181S173-T177 PolarHBondContact O-N 2.85Å; S173-T177 PolarHBondContact O-OG1 2.86Å; V174-T177 PolarHBondContact O-N 2.93Å; L175-T177 VanDerWaalsContact C-N 3.32Å; L175-T177 PolarHBondContact O-N 3.03Å; T177-I180 PolarHBondContact O-N 3.09Å; T177-S181 PolarHBondContact O-N 2.92Å; T177-S181 VanDerWaalsContact O-N 3.1Å
178I92.9Very high82Confident91 Ų91109.6 Ų109.647%0.46757%0.566SS.*Hα-helixtrans-62.6-44.3175.7-65.6167.3000110.5V174 L175 I180 S181 I182V174-I178 HydrophobicContact CG1-CD1 4.15Å; V174-I178 WeakPolarHBondContact O-CG1 3.3Å; V174-I178 PolarHBondContact O-N 3.41Å; V174-I178 VanDerWaalsContact O-N 3.13Å; L175-I178 PolarHBondContact O-N 2.71Å; I178-I180 PolarHBondContact O-N 2.8Å; I178-S181 WeakPolarHBondContact O-CB 3.38Å; I178-S181 PolarHBondContact O-N 3.34Å; I178-I182 HydrophobicContact CG2-CD1 3.86Å; I178-I182 HydrophobicContact CG2-CG1 4.48Å; I178-I182 WeakPolarHBondContact O-CG1 3.21Å; I178-I182 PolarHBondContact O-N 2.87Å
179L93.9Very high83.8Confident110 Ų110112 Ų11258%0.57657%0.571SS**Hα-helixtrans-59.5-45.1179.3-171.2111.2000112L175 W176 S181 I182 L183L175-L179 PolarHBondContact O-N 2.73Å; W176-L179 PolarHBondContact O-N 3.2Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 2.8Å; L179-I182 PolarHBondContact O-N 3.34Å; L179-L183 WeakPolarHBondContact O-CB 3.36Å; L179-L183 PolarHBondContact O-N 2.99Å
180I93.8Very high85.1Confident75 Ų75113.2 Ų113.239%0.38558%0.581SS.*Hα-helixtrans-64-40.9177.5-68.3170.1000111W176 T177 I178 I182 L183 K184W176-I180 HydrophobicContact CD2-CD1 3.74Å; W176-I180 HydrophobicContact CE3-CD1 3.38Å; W176-I180 HydrophobicContact CH2-CD1 3.5Å; W176-I180 VanDerWaalsContact CH2-CD1 3.5Å; W176-I180 HydrophobicContact CZ2-CD1 3.83Å; W176-I180 HydrophobicContact CZ3-CD1 3.26Å; W176-I180 WeakPolarHBondContact O-CG1 3.4Å; W176-I180 PolarHBondContact O-N 2.75Å; W176-I180 VanDerWaalsContact O-N 3.11Å; T177-I180 PolarHBondContact O-N 3.09Å; I178-I180 PolarHBondContact O-N 2.8Å; I180-I182 PolarHBondContact O-N 2.8Å; I180-L183 PolarHBondContact O-N 2.89Å; I180-K184 WeakPolarHBondContact O-CB 3.13Å; I180-K184 PolarHBondContact O-N 3.01Å
181S91.1Very high85.8Confident81 Ų81117.5 Ų117.557%0.56660%0.598SS**Hα-helixtrans-61.6-43.3177.9-170.50000111.9T177 I178 L179 L185T177-S181 PolarHBondContact O-N 2.92Å; T177-S181 VanDerWaalsContact O-N 3.1Å; I178-S181 WeakPolarHBondContact O-CB 3.38Å; I178-S181 PolarHBondContact O-N 3.34Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 2.8Å; S181-L185 PolarHBondContact O-N 3.05Å
182I94.4Very high87.1Confident105 Ų105116.7 Ų116.754%0.53860%0.596SS.*Hα-helixtrans-67.4-45.8178.1-66170.2000110.7I178 L179 I180 K184 L185 V186I178-I182 HydrophobicContact CG2-CD1 3.86Å; I178-I182 HydrophobicContact CG2-CG1 4.48Å; I178-I182 WeakPolarHBondContact O-CG1 3.21Å; I178-I182 PolarHBondContact O-N 2.87Å; L179-I182 PolarHBondContact O-N 3.34Å; I180-I182 PolarHBondContact O-N 2.8Å; I182-K184 VanDerWaalsContact C-N 3.26Å; I182-K184 PolarHBondContact O-N 3.07Å; I182-L185 PolarHBondContact O-N 3.3Å; I182-L185 VanDerWaalsContact O-N 3.17Å; I182-V186 WeakPolarHBondContact O-CG2 3.34Å; I182-V186 PolarHBondContact O-N 3.3Å
183L94.8Very high88.5Confident116 Ų116117.2 Ų117.261%0.60760%0.601SS**Hα-helixtrans-59.4-39.7179.7-177.164.1000111.7L179 I180 V186 L187L179-L183 WeakPolarHBondContact O-CB 3.36Å; L179-L183 PolarHBondContact O-N 2.99Å; I180-L183 PolarHBondContact O-N 2.89Å; L183-V186 PolarHBondContact O-N 3.17Å; L183-L187 PolarHBondContact O-N 3.09Å; L183-L187 VanDerWaalsContact O-N 3.1Å
184K91.8Very high89.2Confident150 Ų150119.7 Ų119.765%0.65261%0.607SS**Hα-helixtrans-63.5-42.9176.9-172.7171-179.5166.10112.2I180 I182 L187 E188I180-K184 WeakPolarHBondContact O-CB 3.13Å; I180-K184 PolarHBondContact O-N 3.01Å; I182-K184 VanDerWaalsContact C-N 3.26Å; I182-K184 PolarHBondContact O-N 3.07Å; K184-L187 PolarHBondContact O-N 2.84Å; K184-E188 PolarHBondContact O-N 2.84Å; K184-E188 VanDerWaalsContact O-N 3.08Å
185L92.9Very high89.5Confident102 Ų102121.5 Ų121.553%0.53461%0.61SS.*Hα-helixtrans-64.1-40.8178.1-173.3151.5000111.8S181 I182 E188 I189S181-L185 PolarHBondContact O-N 3.05Å; I182-L185 PolarHBondContact O-N 3.3Å; I182-L185 VanDerWaalsContact O-N 3.17Å; L185-E188 PolarHBondContact O-N 2.87Å; L185-I189 HydrophobicContact CD2-CD1 3.61Å; L185-I189 WeakPolarHBondContact O-CG1 3.18Å; L185-I189 PolarHBondContact O-N 2.94Å
186V93.3Very high89.6Confident68 Ų68121.6 Ų121.641%0.41261%0.61SS.*Hα-helixtrans-65.5-41.7177.2174.50000111.4I182 L183 E188 I189 L190I182-V186 WeakPolarHBondContact O-CG2 3.34Å; I182-V186 PolarHBondContact O-N 3.3Å; L183-V186 PolarHBondContact O-N 3.17Å; V186-E188 VanDerWaalsContact C-N 3.33Å; V186-E188 PolarHBondContact O-N 3.12Å; V186-I189 PolarHBondContact O-N 2.99Å; V186-L190 HydrophobicContact CG1-CD1 4Å; V186-L190 PolarHBondContact O-N 2.73Å
187L90Very high89.7Confident125 Ų125118.1 Ų118.165%0.65461%0.606SS**Hα-helixtrans-64.7-38.1178.6-160.283.7000111.9L183 K184 I189 L190 F191L183-L187 PolarHBondContact O-N 3.09Å; L183-L187 VanDerWaalsContact O-N 3.1Å; K184-L187 PolarHBondContact O-N 2.84Å; L187-I189 VanDerWaalsContact C-N 3.28Å; L187-I189 PolarHBondContact O-N 2.79Å; L187-L190 PolarHBondContact O-N 3.11Å; L187-F191 PolarHBondContact O-N 3.46Å
188E88Confident89.6Confident147 Ų147120.1 Ų120.169%0.68761%0.61SS**Hα-helixtrans-65.6-27.4176.5-172.7176.1170.300113.2K184 L185 V186K184-E188 PolarHBondContact O-N 2.84Å; K184-E188 VanDerWaalsContact O-N 3.08Å; L185-E188 PolarHBondContact O-N 2.87Å; V186-E188 VanDerWaalsContact C-N 3.33Å; V186-E188 PolarHBondContact O-N 3.12Å
189I88.4Confident89.3Confident135 Ų135122.3 Ų122.369%0.69262%0.621SS**Hα-helixtrans-79.9-27.8175.5-67.1168.9000111.6L185 V186 L187L185-I189 HydrophobicContact CD2-CD1 3.61Å; L185-I189 WeakPolarHBondContact O-CG1 3.18Å; L185-I189 PolarHBondContact O-N 2.94Å; V186-I189 PolarHBondContact O-N 2.99Å; L187-I189 VanDerWaalsContact C-N 3.28Å; L187-I189 PolarHBondContact O-N 2.79Å
190L79.3Confident89Confident137 Ų137123.3 Ų123.372%0.71763%0.625SS**Hα-helixtrans-89.4-13.8-173.6-104.7146000114.1V186 L187V186-L190 HydrophobicContact CG1-CD1 4Å; V186-L190 PolarHBondContact O-N 2.73Å; L187-L190 PolarHBondContact O-N 3.11Å
191F70.1Confident88.5Confident239 Ų239127.7 Ų127.7100%1.04865%0.646SS**  trans-138.40-175.9-151.2-81.2000111.7L187L187-F191 PolarHBondContact O-N 3.46Å

Retrieved 191 of 191 residues in 211.2 ms (Link to these results)