A0A096MT42_PAPAN Loading...

TAFA chemokine like family member 2

AlphaFold DB (Q8N3H0), UniProt , Accession A0A096MT42, Species PAPAN (Papio anubis, Olive baboon), Gene TAFA2, Length 131 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.2Low65.5Low249 Ų249141.1 Ų141.1100%1.22767%0.671SS**  0127.60-115.7161.8168.200109.3
2S63.2Low66.5Low63 Ų63131.8 Ų131.844%0.44164%0.64SS.*  trans-83.1136.8-141.3-174.50000115.7R4 Y5S2-R4 PolarHBondContact O-N 3.38Å; S2-R4 PolarHBondContact OG-N 2.93Å; S2-Y5 PolarHBondContact O-N 3.37Å
3K64.3Low67.9Low191 Ų191133.4 Ų133.483%0.8364%0.642SS**Hα-helixtrans-43.5-27.3167.1-70.8178.8177.7177.80113.4Y5 L6 Q7K3-Y5 VanDerWaalsContact C-N 3.33Å; K3-Y5 PolarHBondContact O-N 3.46Å; K3-L6 PolarHBondContact O-N 3.49Å; K3-Q7 PolarHBondContact O-N 3.46Å
4R64.9Low69.1Low193 Ų193131.4 Ų131.473%0.72864%0.636SS**Hα-helixtrans-60.8-33.8174.7-65.8-176.3177.1-175.7-0.5113.7S2 K8S2-R4 PolarHBondContact O-N 3.38Å; S2-R4 PolarHBondContact OG-N 2.93Å; R4-K8 WeakPolarHBondContact O-CB 3.36Å; R4-K8 WeakPolarHBondContact O-CG 3.33Å; R4-K8 PolarHBondContact O-N 2.91Å; R4-K8 VanDerWaalsContact O-N 3.08Å
5Y64.1Low70.2Confident187 Ų187130.6 Ų130.673%0.73364%0.635SS**Hα-helixtrans-69.8-44.1175.3-99.2-89.2000111.4S2 K3 Q7 K8 A9S2-Y5 PolarHBondContact O-N 3.37Å; K3-Y5 VanDerWaalsContact C-N 3.33Å; K3-Y5 PolarHBondContact O-N 3.46Å; Y5-Q7 VanDerWaalsContact C-N 3.35Å; Y5-Q7 PolarHBondContact O-N 3.11Å; Y5-K8 PolarHBondContact O-N 3.28Å; Y5-A9 WeakPolarHBondContact O-CB 3.35Å; Y5-A9 PolarHBondContact O-N 2.88Å
6L66.5Low71.2Confident129 Ų129128.9 Ų128.968%0.67563%0.628SS**Hα-helixtrans-64.2-41.3178.5-162.271.4000111K3 A9 T10K3-L6 PolarHBondContact O-N 3.49Å; L6-A9 PolarHBondContact O-N 3.3Å; L6-T10 WeakPolarHBondContact O-CG2 3.34Å; L6-T10 PolarHBondContact O-N 3.08Å; L6-T10 PolarHBondContact O-OG1 3.31Å; L6-T10 VanDerWaalsContact O-OG1 3.12Å
7Q65Low72Confident112 Ų112127.2 Ų127.252%0.52362%0.621SS.*Hα-helixtrans-68.2-34.1177.1-161.4-179.1-8.600113.2K3 Y5 T10 K11K3-Q7 PolarHBondContact O-N 3.46Å; Y5-Q7 VanDerWaalsContact C-N 3.35Å; Y5-Q7 PolarHBondContact O-N 3.11Å; Q7-T10 WeakPolarHBondContact CA-OG1 3.34Å; Q7-T10 PolarHBondContact O-OG1 3.47Å; Q7-T10 VanDerWaalsContact O-OG1 3.08Å; Q7-K11 WeakPolarHBondContact O-CB 3.36Å; Q7-K11 VanDerWaalsContact O-CG 3.29Å; Q7-K11 WeakPolarHBondContact O-CG 3.46Å; Q7-K11 PolarHBondContact O-N 3.42Å; Q7-K11 VanDerWaalsContact O-N 3.12Å
8K63.4Low72.8Confident162 Ų162125.2 Ų125.270%0.70461%0.613SS**Hα-helixtrans-68.1-42171-79.2-178.4178.2-173.10111.3R4 Y5 G12R4-K8 WeakPolarHBondContact O-CB 3.36Å; R4-K8 WeakPolarHBondContact O-CG 3.33Å; R4-K8 PolarHBondContact O-N 2.91Å; R4-K8 VanDerWaalsContact O-N 3.08Å; Y5-K8 PolarHBondContact O-N 3.28Å; K8-G12 PolarHBondContact O-N 2.84Å
9A69.4Low73.4Confident57 Ų57125.9 Ų125.947%0.47161%0.613SS.*Hα-helixtrans-66.3-39.6178.300000112.4Y5 L6 G12 K13Y5-A9 WeakPolarHBondContact O-CB 3.35Å; Y5-A9 PolarHBondContact O-N 2.88Å; L6-A9 PolarHBondContact O-N 3.3Å; A9-G12 PolarHBondContact O-N 3.39Å; A9-K13 PolarHBondContact O-N 2.95Å
10T75.2Confident74Confident77 Ų77123.9 Ų123.947%0.47260%0.604SS.*Hα-helixtrans-68.9-43176.352.70000111.9L6 Q7 G12 K13 L14L6-T10 WeakPolarHBondContact O-CG2 3.34Å; L6-T10 PolarHBondContact O-N 3.08Å; L6-T10 PolarHBondContact O-OG1 3.31Å; L6-T10 VanDerWaalsContact O-OG1 3.12Å; Q7-T10 WeakPolarHBondContact CA-OG1 3.34Å; Q7-T10 PolarHBondContact O-OG1 3.47Å; Q7-T10 VanDerWaalsContact O-OG1 3.08Å; T10-G12 VanDerWaalsContact C-N 3.34Å; T10-G12 PolarHBondContact O-N 2.89Å; T10-K13 PolarHBondContact O-N 3.17Å; T10-L14 WeakPolarHBondContact O-CB 3.45Å; T10-L14 PolarHBondContact O-N 2.95Å
11K74.8Confident74.4Confident132 Ų132122.7 Ų122.757%0.57460%0.604SS**Hα-helixtrans-60.4-43.2172.7-75.1-178.3177.4-171.10111.8Q7 L14 L15Q7-K11 WeakPolarHBondContact O-CB 3.36Å; Q7-K11 VanDerWaalsContact O-CG 3.29Å; Q7-K11 WeakPolarHBondContact O-CG 3.46Å; Q7-K11 PolarHBondContact O-N 3.42Å; Q7-K11 VanDerWaalsContact O-N 3.12Å; K11-L14 PolarHBondContact O-N 3.4Å; K11-L15 WeakPolarHBondContact O-CG 3.36Å; K11-L15 PolarHBondContact O-N 3.49Å; K11-L15 VanDerWaalsContact O-N 3.07Å
12G77.2Confident75.9Confident29 Ų29113.9 Ų113.930%0.29956%0.564SS.*Hα-helixtrans-61-47.217600000112.7K8 A9 T10 L14 L15 I16K8-G12 PolarHBondContact O-N 2.84Å; A9-G12 PolarHBondContact O-N 3.39Å; T10-G12 VanDerWaalsContact C-N 3.34Å; T10-G12 PolarHBondContact O-N 2.89Å; G12-L14 PolarHBondContact O-N 3.41Å; G12-L15 PolarHBondContact O-N 2.91Å; G12-I16 WeakPolarHBondContact O-CG1 3.29Å; G12-I16 PolarHBondContact O-N 3.31Å; G12-I16 VanDerWaalsContact O-N 3.11Å
13K84.4Confident76.5Confident153 Ų153115.2 Ų115.267%0.66557%0.566SS**Hα-helixtrans-60.4-43.1175.1-88.3-174.2174.1-178.70112.5A9 T10 L15 I16 I17A9-K13 PolarHBondContact O-N 2.95Å; T10-K13 PolarHBondContact O-N 3.17Å; K13-L15 VanDerWaalsContact C-N 3.35Å; K13-L15 PolarHBondContact O-N 3.28Å; K13-I16 PolarHBondContact O-N 3.32Å; K13-I17 WeakPolarHBondContact O-CG1 3.42Å; K13-I17 PolarHBondContact O-N 3.5Å
14L85.3Confident76.8Confident106 Ų106115.5 Ų115.556%0.55556%0.562SS**Hα-helixtrans-62.1-43179.7-173.367.6000111.6T10 K11 G12 I16 I17 I18T10-L14 WeakPolarHBondContact O-CB 3.45Å; T10-L14 PolarHBondContact O-N 2.95Å; K11-L14 PolarHBondContact O-N 3.4Å; G12-L14 PolarHBondContact O-N 3.41Å; L14-I16 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 3.28Å; L14-I18 HydrophobicContact CG-CD1 4.17Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.47Å
15L85.1Confident76.7Confident119 Ų119108.5 Ų108.562%0.62355%0.55SS*.Hα-helixtrans-62.7-41.5176.4-71.1173.4000112.2K11 G12 K13 I17 I18 F19K11-L15 WeakPolarHBondContact O-CG 3.36Å; K11-L15 PolarHBondContact O-N 3.49Å; K11-L15 VanDerWaalsContact O-N 3.07Å; G12-L15 PolarHBondContact O-N 2.91Å; K13-L15 VanDerWaalsContact C-N 3.35Å; K13-L15 PolarHBondContact O-N 3.28Å; L15-I17 PolarHBondContact O-N 3.37Å; L15-I18 PolarHBondContact O-N 3.12Å; L15-F19 WeakPolarHBondContact O-CB 3.47Å; L15-F19 PolarHBondContact O-N 3.08Å
16I85.7Confident76.6Confident103 Ų103107.1 Ų107.153%0.52855%0.548SS..Hα-helixtrans-62.5-42.9176.9-67.1166.4000110.8G12 K13 L14 F19 I20G12-I16 WeakPolarHBondContact O-CG1 3.29Å; G12-I16 PolarHBondContact O-N 3.31Å; G12-I16 VanDerWaalsContact O-N 3.11Å; K13-I16 PolarHBondContact O-N 3.32Å; L14-I16 PolarHBondContact O-N 3.02Å; I16-F19 PolarHBondContact O-N 3.27Å; I16-I20 HydrophobicContact CG2-CD1 3.98Å; I16-I20 WeakPolarHBondContact O-CG1 3.47Å; I16-I20 PolarHBondContact O-N 3.12Å
17I85.8Confident76.4Confident100 Ų100106.4 Ų106.451%0.51355%0.549SS..Hα-helixtrans-62.8-44.9177.9-67.3166.3000111K13 L14 L15 F19 I20 V21K13-I17 WeakPolarHBondContact O-CG1 3.42Å; K13-I17 PolarHBondContact O-N 3.5Å; L14-I17 PolarHBondContact O-N 3.28Å; L15-I17 PolarHBondContact O-N 3.37Å; I17-F19 VanDerWaalsContact C-N 3.29Å; I17-F19 PolarHBondContact O-N 2.95Å; I17-I20 PolarHBondContact O-N 2.86Å; I17-V21 HydrophobicContact CG2-CG2 4.4Å; I17-V21 WeakPolarHBondContact O-CG2 3.42Å; I17-V21 PolarHBondContact O-N 3.42Å
18I85.3Confident76.1Confident91 Ų91106.5 Ų106.547%0.46756%0.556SS.*Hα-helixtrans-61.2-40.7176.8-66.9166.4000110.8L14 L15 V21 T22L14-I18 HydrophobicContact CG-CD1 4.17Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.47Å; L15-I18 PolarHBondContact O-N 3.12Å; I18-V21 PolarHBondContact O-N 2.97Å; I18-T22 HydrophobicContact CG2-CG2 4.39Å; I18-T22 WeakPolarHBondContact O-CB 3.38Å; I18-T22 WeakPolarHBondContact O-CG2 3.48Å; I18-T22 PolarHBondContact O-N 3.03Å; I18-T22 PolarHBondContact O-OG1 3.47Å
19F85.2Confident75.8Confident139 Ų139103.6 Ų103.661%0.6156%0.557SS**Hα-helixtrans-64.9-42.2178.2-151.9-103.2000111.8L15 I16 I17 T22 L23L15-F19 WeakPolarHBondContact O-CB 3.47Å; L15-F19 PolarHBondContact O-N 3.08Å; I16-F19 PolarHBondContact O-N 3.27Å; I17-F19 VanDerWaalsContact C-N 3.29Å; I17-F19 PolarHBondContact O-N 2.95Å; F19-T22 WeakPolarHBondContact CA-OG1 3.49Å; F19-T22 PolarHBondContact O-N 2.92Å; F19-T22 PolarHBondContact O-OG1 2.95Å; F19-L23 HydrophobicContact CD1-CD1 3.45Å; F19-L23 VanDerWaalsContact CD1-CD1 3.45Å; F19-L23 HydrophobicContact CD1-CG 4.35Å; F19-L23 HydrophobicContact CE1-CD1 3.58Å; F19-L23 HydrophobicContact CE1-CG 4.34Å; F19-L23 HydrophobicContact CG-CD1 4.45Å; F19-L23 WeakPolarHBondContact O-CB 3.48Å; F19-L23 WeakPolarHBondContact O-CD1 3.35Å; F19-L23 WeakPolarHBondContact O-CG 3.32Å; F19-L23 PolarHBondContact O-N 2.97Å
20I85.3Confident75Confident86 Ų86106.2 Ų106.244%0.44157%0.571SS.*Hα-helixtrans-62.3-50.1174.2-68.7173.8000110.3I16 I17 T22 L23 W24I16-I20 HydrophobicContact CG2-CD1 3.98Å; I16-I20 WeakPolarHBondContact O-CG1 3.47Å; I16-I20 PolarHBondContact O-N 3.12Å; I17-I20 PolarHBondContact O-N 2.86Å; I20-T22 VanDerWaalsContact C-N 3.31Å; I20-T22 PolarHBondContact O-N 3.03Å; I20-L23 PolarHBondContact O-N 3.31Å; I20-W24 PolarHBondContact O-N 3.2Å
21V82.9Confident74.1Confident98 Ų98106.5 Ų106.559%0.59458%0.582SS**Hα-helixtrans-59.7-41.4-179.8173.20000111.8I17 I18 G25I17-V21 HydrophobicContact CG2-CG2 4.4Å; I17-V21 WeakPolarHBondContact O-CG2 3.42Å; I17-V21 PolarHBondContact O-N 3.42Å; I18-V21 PolarHBondContact O-N 2.97Å; V21-G25 PolarHBondContact O-N 3.07Å
22T80.2Confident73.1Confident64 Ų64106.4 Ų106.439%0.39359%0.587SS.*Hα-helixtrans-73.1-27.2178.854.80000113.9I18 F19 I20I18-T22 HydrophobicContact CG2-CG2 4.39Å; I18-T22 WeakPolarHBondContact O-CB 3.38Å; I18-T22 WeakPolarHBondContact O-CG2 3.48Å; I18-T22 PolarHBondContact O-N 3.03Å; I18-T22 PolarHBondContact O-OG1 3.47Å; F19-T22 WeakPolarHBondContact CA-OG1 3.49Å; F19-T22 PolarHBondContact O-N 2.92Å; F19-T22 PolarHBondContact O-OG1 2.95Å; I20-T22 VanDerWaalsContact C-N 3.31Å; I20-T22 PolarHBondContact O-N 3.03Å
23L76.6Confident72.2Confident92 Ų92113.5 Ų113.548%0.48261%0.613SS.*Hα-helixtrans-71.1-48.1171.2-85.2160.7000111F19 I20 G25 K26 V27F19-L23 HydrophobicContact CD1-CD1 3.45Å; F19-L23 VanDerWaalsContact CD1-CD1 3.45Å; F19-L23 HydrophobicContact CD1-CG 4.35Å; F19-L23 HydrophobicContact CE1-CD1 3.58Å; F19-L23 HydrophobicContact CE1-CG 4.34Å; F19-L23 HydrophobicContact CG-CD1 4.45Å; F19-L23 WeakPolarHBondContact O-CB 3.48Å; F19-L23 WeakPolarHBondContact O-CD1 3.35Å; F19-L23 WeakPolarHBondContact O-CG 3.32Å; F19-L23 PolarHBondContact O-N 2.97Å; I20-L23 PolarHBondContact O-N 3.31Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.37Å; L23-K26 PolarHBondContact O-N 3.04Å; L23-V27 WeakPolarHBondContact O-CG2 3.39Å
24W70.1Confident70.9Confident196 Ų196115.5 Ų115.574%0.74262%0.624SS**Hα-helixtrans-64.3-37.1180-76.162.8000112.2I20 K26 V27I20-W24 PolarHBondContact O-N 3.2Å; W24-K26 VanDerWaalsContact C-N 3.28Å; W24-K26 PolarHBondContact O-N 2.95Å; W24-V27 PolarHBondContact O-N 3.4Å
25G63.6Low69.7Low47 Ų47119.9 Ų119.949%0.48564%0.638SS.*Hα-helixtrans-62.5-28.5175.700000114.5V21 L23V21-G25 PolarHBondContact O-N 3.07Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.37Å
26K61.7Low69Low157 Ų157118.8 Ų118.868%0.68365%0.647SS**Hα-helixtrans-79.5-22.3179.2-72.1-169-178800113.8L23 W24 V28L23-K26 PolarHBondContact O-N 3.04Å; W24-K26 VanDerWaalsContact C-N 3.28Å; W24-K26 PolarHBondContact O-N 2.95Å; K26-V28 VanDerWaalsContact C-N 3.33Å
27V62.2Low68.6Low115 Ų115118.8 Ų118.870%0.69764%0.644SS**Hα-helixtrans-73.3-27.6-178.3-167.80000111.7L23 W24L23-V27 WeakPolarHBondContact O-CG2 3.39Å; W24-V27 PolarHBondContact O-N 3.4Å
28V59.8Low68.7Low113 Ų113121.3 Ų121.369%0.68565%0.653SS**G310 helixtrans-75.7-24.3-177.2148.30000114K26 S30K26-V28 VanDerWaalsContact C-N 3.33Å; V28-S30 PolarHBondContact O-N 2.74Å
29S55.9Low69Low102 Ų102117.2 Ų117.271%0.71363%0.632SS**G310 helixtrans-81.7-6.2-171.9-64.10000115.5
30S53.8Low69.5Low111 Ų111117.7 Ų117.778%0.77663%0.634SS**G310 helixtrans-102.1-2.6-176.1-160.50000115.3V28V28-S30 PolarHBondContact O-N 2.74Å
31A55.4Low70Confident84 Ų84117.2 Ų117.269%0.69464%0.635SS**SBendtrans-89.1-9.3-173.600000114.8H33A31-H33 PolarHBondContact O-N 3.12Å
32N53.2Low70.7Confident129 Ų129113.6 Ų113.669%0.6962%0.618SS**THydrogen-bonded Turntrans-92.597.5179.2-72.5-48000109.2
33H57.8Low71.5Confident179 Ų179112.6 Ų112.683%0.82961%0.612SS**THydrogen-bonded Turntrans175.98140.9-89.2-54000115.6A31 K35A31-H33 PolarHBondContact O-N 3.12Å; H33-K35 PolarHBondContact O-N 2.87Å
34H56.9Low72.5Confident194 Ų194109 Ų10990%0.89859%0.594SS**  trans-96.650.2168.7-62.3-67.8000112.3A36H34-A36 PolarHBondContact O-N 3.39Å; H34-A36 VanDerWaalsContact O-N 3.12Å
35K61Low73.7Confident199 Ų199102.8 Ų102.887%0.86557%0.574SS**  trans-69.6109.3159-78.6-175.3-179.21770106H33 H37H33-K35 PolarHBondContact O-N 2.87Å; K35-H37 PolarHBondContact O-N 3.41Å
36A70Confident75.2Confident96 Ų96103.3 Ų103.379%0.79357%0.567SS**  trans-54105.2172.100000108.1H34 H38H34-A36 PolarHBondContact O-N 3.39Å; H34-A36 VanDerWaalsContact O-N 3.12Å; A36-H38 PolarHBondContact O-N 3.38Å
37H77.7Confident76.8Confident102 Ų10298.5 Ų98.547%0.47255%0.551SS.*  trans-68106.1179.6-159.2-85.9000107.6K35 E45 K66K35-H37 PolarHBondContact O-N 3.41Å; H37-E45 IonicContact CE1-OE2 3.56Å; H37-K66 WeakPolarHBondContact O-CE 3.45Å; H37-K66 PolarHBondContact O-NZ 2.86Å
38H88.2Confident78.3Confident154 Ų15494.3 Ų94.371%0.71353%0.528SS*.PPolyproline II helixtrans-85.7119.9178-172.5-72000108.5A36A36-H38 PolarHBondContact O-N 3.38Å
39V92.5Very high79.9Confident4 Ų493.6 Ų93.62%0.02452%0.52CS..PPolyproline II helixtrans-92.9142.3176.51740000108.5T43 E45 K66V39-T43 WeakPolarHBondContact CG1-OG1 3.38Å; V39-E45 HydrophobicContact CG1-CB 4.23Å; V39-E45 HydrophobicContact CG1-CG 3.95Å; V39-E45 HydrophobicContact CG2-CB 4.07Å; V39-E45 HydrophobicContact CG2-CG 4.49Å; V39-K66 HydrophobicContact CB-CG 4.42Å; V39-K66 HydrophobicContact CG2-CB 3.79Å; V39-K66 HydrophobicContact CG2-CD 3.85Å; V39-K66 HydrophobicContact CG2-CG 3.68Å
40K94.5Very high81.6Confident149 Ų14993.6 Ų93.665%0.64851%0.509SS*.PPolyproline II helixtrans-61141.3178.4-175.6-179.6175.5-177.70110.8G42 T43K40-G42 PolarHBondContact O-N 2.66Å; K40-T43 HydrophobicContact CB-CG2 4.22Å; K40-T43 HydrophobicContact CD-CG2 4.33Å; K40-T43 HydrophobicContact CG-CG2 4.39Å; K40-T43 PolarHBondContact O-N 3.31Å; K40-T43 PolarHBondContact O-OG1 3.01Å
41T96.4Very high83.3Confident76 Ų7696.7 Ų96.747%0.46650%0.503SS..THydrogen-bonded Turntrans-62.5137.4173.6-50.20000110.8S68 F70T41-S68 CarbonylContact C-O 3.57Å; T41-F70 HydrophobicContact CG2-CD1 4.13Å; T41-F70 HydrophobicContact CG2-CE1 3.68Å; T41-F70 HydrophobicContact CG2-CZ 4.01Å
42G96.6Very high84.8Confident23 Ų2395.8 Ų95.824%0.23749%0.491CS..THydrogen-bonded Turntrans848.1-173.500000115K40 S68K40-G42 PolarHBondContact O-N 2.66Å; G42-S68 CarbonylContact C-O 3.56Å; G42-S68 VanDerWaalsContact CA-O 3.29Å; G42-S68 WeakPolarHBondContact CA-O 3.38Å; G42-S68 PolarHBondContact N-O 2.89Å
43T97.1Very high86.3Confident43 Ų4394.2 Ų94.226%0.26449%0.489SS..EExtended strand (participates in β ladder)trans-132.2163.7-174.174.70000113.8V39 K40 C67 S68V39-T43 WeakPolarHBondContact CG1-OG1 3.38Å; K40-T43 HydrophobicContact CB-CG2 4.22Å; K40-T43 HydrophobicContact CD-CG2 4.33Å; K40-T43 HydrophobicContact CG-CG2 4.39Å; K40-T43 PolarHBondContact O-N 3.31Å; K40-T43 PolarHBondContact O-OG1 3.01Å; T43-C67 CarbonylContact O-C 3.44Å; T43-C67 WeakPolarHBondContact O-CA 3.02Å; T43-S68 PolarHBondContact N-O 3.42Å; T43-S68 PolarHBondContact O-N 3.5Å
44C97.8Very high87.5Confident16 Ų1689.1 Ų89.111%0.10847%0.468CS..EExtended strand (participates in β ladder)trans-123.3135.8168.1-66.80000109.5V65 K66 C67 P82 S83C44-V65 HydrophobicContact CB-CG1 3.84Å; C44-K66 CarbonylContact C-O 3.6Å; C44-K66 WeakPolarHBondContact CA-O 3.33Å; C44-C67 HydrophobicContact CB-CB 4.07Å; C44-C67 WeakPolarHBondContact CB-SG 3.47Å; C44-C67 WeakPolarHBondContact SG-CB 3Å; C44-C67 CovalentContact SG-SG 2.03Å; C44-C67 PolarHBondContact SG-SG 2.85Å; C44-P82 HydrophobicContact CB-CB 3.77Å; C44-P82 HydrophobicContact CB-CG 4.38Å; C44-S83 PolarHBondContact SG-O 3.2Å; C44-S83 VanDerWaalsContact SG-O 3.33Å
45E96.2Very high89Confident66 Ų6689.4 Ų89.431%0.30847%0.467SS..EExtended strand (participates in β ladder)trans-129.9141.5-178-70171.1-158.400110.2H37 V39 V47 V65 K66H37-E45 IonicContact CE1-OE2 3.56Å; V39-E45 HydrophobicContact CG1-CB 4.23Å; V39-E45 HydrophobicContact CG1-CG 3.95Å; V39-E45 HydrophobicContact CG2-CB 4.07Å; V39-E45 HydrophobicContact CG2-CG 4.49Å; E45-V47 PolarHBondContact O-N 3.48Å; E45-V65 CarbonylContact O-C 3.48Å; E45-V65 WeakPolarHBondContact O-CA 3.12Å; E45-K66 PolarHBondContact N-O 3.33Å; E45-K66 PolarHBondContact O-N 2.04Å
46V95.1Very high90.4Very high57 Ų5785.6 Ų85.635%0.34546%0.456SS..EExtended strand (participates in β ladder)trans-75.8113.8172.6-1790000108.2L49 Q63 T64 V65 P82V46-L49 HydrophobicContact CG1-CD2 3.58Å; V46-L49 HydrophobicContact CG1-CG 3.76Å; V46-Q63 HydrophobicContact CG1-CB 4.34Å; V46-T64 CarbonylContact C-O 3.59Å; V46-V65 HydrophobicContact CG2-CG2 4.28Å; V46-P82 HydrophobicContact CG2-CG 4.11Å
47V94.8Very high91.1Very high56 Ų5690 Ų9034%0.33946%0.457SS..EExtended strand (participates in β ladder)trans-101.7-19.4-175.9-64.70000113.3E45 T64 K66E45-V47 PolarHBondContact O-N 3.48Å; V47-T64 HydrophobicContact CG2-CG2 3.83Å; V47-T64 WeakPolarHBondContact CG2-O 3.36Å; V47-T64 PolarHBondContact N-O 2.03Å; V47-K66 HydrophobicContact CG1-CB 3.65Å; V47-K66 HydrophobicContact CG2-CB 4.15Å
48A93.2Very high91.6Very high27 Ų2789.9 Ų89.922%0.22346%0.459CS..EExtended strand (participates in β ladder)trans-146.5142.5172.100000110.9Q63 T64A48-Q63 WeakPolarHBondContact O-CA 3.21Å; A48-T64 PolarHBondContact N-O 2.87Å; A48-T64 PolarHBondContact O-N 3.39Å
49L93.8Very high91.6Very high99 Ų9988.6 Ų88.652%0.51845%0.453SS..EExtended strand (participates in β ladder)trans-125.4119.3175.5-73175.3000107.8V46 Q63V46-L49 HydrophobicContact CG1-CD2 3.58Å; V46-L49 HydrophobicContact CG1-CG 3.76Å; L49-Q63 HydrophobicContact CD2-CB 3.99Å; L49-Q63 HydrophobicContact CD2-CG 3.52Å
50H91.7Very high91.6Very high102 Ų10293 Ų9347%0.47247%0.474SS..EExtended strand (participates in β ladder)trans-118.6140176.6-64.6-99.4000109.3S62H50-S62 WeakPolarHBondContact CB-OG 3.45Å; H50-S62 PolarHBondContact N-O 2.91Å; H50-S62 PolarHBondContact O-N 2.85Å
51R90.2Very high91.4Very high176 Ų17692.9 Ų92.966%0.66447%0.469SS*.EExtended strand (participates in β ladder)trans-115.2121.5168.7-67.1-176.7175.7102.9-3.1106.7E59R51-E59 WeakPolarHBondContact CD-OE1 3.3Å; R51-E59 IonicContact NE-OE1 3.51Å
52C85.7Confident91.2Very high64 Ų6491.9 Ų91.943%0.43247%0.465SS..EExtended strand (participates in β ladder)trans-116.7160.1174.5-660000108.7E60C52-E60 HydrophobicContact CB-CB 4.37Å; C52-E60 PolarHBondContact N-O 2.89Å; C52-E60 PolarHBondContact O-N 3.42Å; C52-E60 VanDerWaalsContact O-O 3.12Å
53C85.2Confident91Very high96 Ų9696 Ų9665%0.64948%0.478SS*.EExtended strand (participates in β ladder)trans-129130.9172.3-61.90000108.2I58C53-I58 WeakPolarHBondContact CA-O 3.29Å
54N83.4Confident90.9Very high73 Ų7397.3 Ų97.339%0.3949%0.486SS..  trans-75.7166.6169.5-166.9-13000109.9N56 K57 I58N54-N56 PolarHBondContact O-N 3.01Å; N54-K57 PolarHBondContact O-N 3.26Å; N54-I58 PolarHBondContact N-O 3.24Å
55K88.3Confident90.8Very high200 Ų20099.5 Ų99.587%0.8750%0.499SS*.THydrogen-bonded Turntrans-48.4-29.8173.1-66-176.2178.3-179.70113K57K55-K57 PolarHBondContact O-N 2.94Å
56N89.7Confident90.8Very high118 Ų118100.9 Ų100.963%0.63150%0.504SS*.THydrogen-bonded Turntrans-786.3177.4-62-25.6000114.3N54 I58N54-N56 PolarHBondContact O-N 3.01Å; N56-I58 HydrophobicContact CB-CD1 3.97Å; N56-I58 HydrophobicContact CB-CG1 4Å; N56-I58 PolarHBondContact O-N 2.81Å; N56-I58 VanDerWaalsContact O-N 3.17Å
57K85.9Confident90.9Very high189 Ų189100.1 Ų100.182%0.82250%0.501SS*.  trans56.624.6-173.3-54.5-178.2180-179.90113.9N54 K55N54-K57 PolarHBondContact O-N 3.26Å; K55-K57 PolarHBondContact O-N 2.94Å
58I86.8Confident91.1Very high100 Ų10099.3 Ų99.351%0.51350%0.498SS..  trans-78.8123.8170.7-60.7171.1000107.1C53 N54 N56 E60C53-I58 WeakPolarHBondContact CA-O 3.29Å; N54-I58 PolarHBondContact N-O 3.24Å; N56-I58 HydrophobicContact CB-CD1 3.97Å; N56-I58 HydrophobicContact CB-CG1 4Å; N56-I58 PolarHBondContact O-N 2.81Å; N56-I58 VanDerWaalsContact O-N 3.17Å; I58-E60 PolarHBondContact O-N 2.57Å
59E89.8Confident91.3Very high126 Ų12699.6 Ų99.659%0.58950%0.498SS*.EExtended strand (participates in β ladder)trans-72.1118.5173.9-172.3-179174.600109.3R51R51-E59 WeakPolarHBondContact CD-OE1 3.3Å; R51-E59 IonicContact NE-OE1 3.51Å
60E90.8Very high91.5Very high98 Ų98100.2 Ų100.246%0.45850%0.496SS..EExtended strand (participates in β ladder)trans-105.3125.4173.1-68.8179-17300108.6C52 I58C52-E60 HydrophobicContact CB-CB 4.37Å; C52-E60 PolarHBondContact N-O 2.89Å; C52-E60 PolarHBondContact O-N 3.42Å; C52-E60 VanDerWaalsContact O-O 3.12Å; I58-E60 PolarHBondContact O-N 2.57Å
61R91.7Very high91.8Very high145 Ų145101.6 Ų101.655%0.54752%0.515SS..EExtended strand (participates in β ladder)trans-109.9121.3178.1-173.3176.3179.2177.7-2109.6
62S91.8Very high92.2Very high56 Ų5695.8 Ų95.839%0.39251%0.509SS..EExtended strand (participates in β ladder)trans-113.3141.5172.453.30000110.5H50H50-S62 WeakPolarHBondContact CB-OG 3.45Å; H50-S62 PolarHBondContact N-O 2.91Å; H50-S62 PolarHBondContact O-N 2.85Å
63Q92.8Very high92.8Very high108 Ų10896.2 Ų96.251%0.50551%0.505SS..EExtended strand (participates in β ladder)trans-126.1128.7179.1-49.6-169.161.400107.1V46 A48 L49V46-Q63 HydrophobicContact CG1-CB 4.34Å; A48-Q63 WeakPolarHBondContact O-CA 3.21Å; L49-Q63 HydrophobicContact CD2-CB 3.99Å; L49-Q63 HydrophobicContact CD2-CG 3.52Å
64T94.5Very high93.4Very high71 Ų7194.3 Ų94.344%0.43649%0.49SS..EExtended strand (participates in β ladder)trans-97.8125.3170.1-54.80000107.8V46 V47 A48V46-T64 CarbonylContact C-O 3.59Å; V47-T64 HydrophobicContact CG2-CG2 3.83Å; V47-T64 WeakPolarHBondContact CG2-O 3.36Å; V47-T64 PolarHBondContact N-O 2.03Å; A48-T64 PolarHBondContact N-O 2.87Å; A48-T64 PolarHBondContact O-N 3.39Å
65V95.5Very high94.1Very high62 Ų6293.9 Ų93.938%0.37650%0.497SS..EExtended strand (participates in β ladder)trans-110.8139.3179.9177.10000108.5C44 E45 V46 P82C44-V65 HydrophobicContact CB-CG1 3.84Å; E45-V65 CarbonylContact O-C 3.48Å; E45-V65 WeakPolarHBondContact O-CA 3.12Å; V46-V65 HydrophobicContact CG2-CG2 4.28Å; V65-P82 HydrophobicContact CB-CB 4.43Å; V65-P82 HydrophobicContact CG1-CB 3.61Å; V65-P82 HydrophobicContact CG1-CG 4.18Å; V65-P82 HydrophobicContact CG2-CB 3.94Å; V65-P82 HydrophobicContact CG2-CG 4.16Å
66K96.6Very high94.5Very high95 Ų9585.1 Ų85.141%0.41346%0.463SS..EExtended strand (participates in β ladder)trans-115.1131167.1-178.4171.8178.3177.40108.6H37 V39 C44 E45 V47H37-K66 WeakPolarHBondContact O-CE 3.45Å; H37-K66 PolarHBondContact O-NZ 2.86Å; V39-K66 HydrophobicContact CB-CG 4.42Å; V39-K66 HydrophobicContact CG2-CB 3.79Å; V39-K66 HydrophobicContact CG2-CD 3.85Å; V39-K66 HydrophobicContact CG2-CG 3.68Å; C44-K66 CarbonylContact C-O 3.6Å; C44-K66 WeakPolarHBondContact CA-O 3.33Å; E45-K66 PolarHBondContact N-O 3.33Å; E45-K66 PolarHBondContact O-N 2.04Å; V47-K66 HydrophobicContact CG1-CB 3.65Å; V47-K66 HydrophobicContact CG2-CB 4.15Å
67C97.3Very high94.9Very high41 Ų4181.1 Ų81.128%0.27744%0.443SS..EExtended strand (participates in β ladder)trans-119.6146.4-179.7-63.90000111T43 C44 A75T43-C67 CarbonylContact O-C 3.44Å; T43-C67 WeakPolarHBondContact O-CA 3.02Å; C44-C67 HydrophobicContact CB-CB 4.07Å; C44-C67 WeakPolarHBondContact CB-SG 3.47Å; C44-C67 WeakPolarHBondContact SG-CB 3Å; C44-C67 CovalentContact SG-SG 2.03Å; C44-C67 PolarHBondContact SG-SG 2.85Å; C67-A75 HydrophobicContact CB-CB 4.17Å; C67-A75 WeakPolarHBondContact SG-CB 3.01Å
68S97.5Very high95.5Very high40 Ų4074.4 Ų74.428%0.2842%0.418SS..EExtended strand (participates in β ladder)trans-129.789.8167.4-1770000106.9T41 G42 T43T41-S68 CarbonylContact C-O 3.57Å; G42-S68 CarbonylContact C-O 3.56Å; G42-S68 VanDerWaalsContact CA-O 3.29Å; G42-S68 WeakPolarHBondContact CA-O 3.38Å; G42-S68 PolarHBondContact N-O 2.89Å; T43-S68 PolarHBondContact N-O 3.42Å; T43-S68 PolarHBondContact O-N 3.5Å
69C98.2Very high96Very high33 Ų3374.2 Ų74.222%0.22341%0.411CS..PPolyproline II helixtrans-96.9155.8-175.4-59.20000111.7Q73 C84C69-Q73 HydrophobicContact CB-CB 3.84Å; C69-C84 WeakPolarHBondContact CA-SG 3.02Å; C69-C84 HydrophobicContact CB-CB 3.71Å; C69-C84 WeakPolarHBondContact CB-SG 3.37Å; C69-C84 VanDerWaalsContact SG-CA 3.52Å; C69-C84 WeakPolarHBondContact SG-CB 3.35Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.17Å
70F98.2Very high96.3Very high111 Ų11171.2 Ų71.249%0.48741%0.407SS..PPolyproline II helixtrans-69.7158.4173.4-66.5-75.4000110.9T41 G72 Q73T41-F70 HydrophobicContact CG2-CD1 4.13Å; T41-F70 HydrophobicContact CG2-CE1 3.68Å; T41-F70 HydrophobicContact CG2-CZ 4.01Å; F70-G72 PolarHBondContact O-N 2.91Å; F70-Q73 WeakPolarHBondContact O-CB 3.39Å; F70-Q73 PolarHBondContact O-N 3.11Å
71P98.2Very high96.6Very high132 Ų13268.8 Ų68.886%0.85740%0.404SS*.THydrogen-bonded Turntrans-51135.9171.3-26.635.4000111.9Q73P71-Q73 VanDerWaalsContact C-N 3.29Å
72G98.2Very high96.9Very high53 Ų5363.9 Ų63.955%0.54639%0.391SS..THydrogen-bonded Turntrans84.4-4.6-173.600000114.7F70 A87F70-G72 PolarHBondContact O-N 2.91Å; G72-A87 WeakPolarHBondContact O-CB 3.49Å; G72-A87 PolarHBondContact O-N 2.87Å
73Q98.6Very high97.2Very high74 Ų7462.2 Ų62.235%0.34638%0.379SS..EExtended strand (participates in β ladder)trans-113.8151.3174-64.7-177.2-27.200112.2C69 F70 P71 C84 V85C69-Q73 HydrophobicContact CB-CB 3.84Å; F70-Q73 WeakPolarHBondContact O-CB 3.39Å; F70-Q73 PolarHBondContact O-N 3.11Å; P71-Q73 VanDerWaalsContact C-N 3.29Å; Q73-C84 HydrophobicContact CB-CB 4.29Å; Q73-V85 CarbonylContact C-O 3.48Å; Q73-V85 WeakPolarHBondContact CA-O 3.41Å; Q73-V85 WeakPolarHBondContact CB-O 3.48Å
74V97.8Very high97.5Very high55 Ų5558 Ų5833%0.33336%0.362SS..EExtended strand (participates in β ladder)trans-132.1166.3178-620000110.7G76 C84 V85 A87 V90V74-G76 PolarHBondContact O-N 3.03Å; V74-C84 WeakPolarHBondContact O-CA 3.25Å; V74-V85 HydrophobicContact CG2-CG2 4.11Å; V74-V85 PolarHBondContact N-O 3.09Å; V74-V85 PolarHBondContact O-N 3.23Å; V74-A87 HydrophobicContact CG1-CB 4Å; V74-V90 HydrophobicContact CG2-CB 4.12Å; V74-V90 HydrophobicContact CG2-CG2 3.59Å
75A97.5Very high97.7Very high64 Ų6455.1 Ų55.153%0.52934%0.344SS..EExtended strand (participates in β ladder)trans-62.5129.417300000110.5C67C67-A75 HydrophobicContact CB-CB 4.17Å; C67-A75 WeakPolarHBondContact SG-CB 3.01Å
76G97.3Very high97.8Very high16 Ų1656 Ų5617%0.16535%0.346CS..EExtended strand (participates in β ladder)trans-151-156.6178.900000111.6V74 S83V74-G76 PolarHBondContact O-N 3.03Å; G76-S83 CarbonylContact C-O 3.59Å; G76-S83 PolarHBondContact N-O 3.43Å; G76-S83 PolarHBondContact O-N 3.08Å; G76-S83 VanDerWaalsContact O-N 3.08Å
77T97.5Very high97.9Very high35 Ų3552.1 Ų52.122%0.21533%0.332CS..EExtended strand (participates in β ladder)trans-140.1131.9-179.8-600000110.4A81 M98 P100T77-A81 VanDerWaalsContact CA-O 3.3Å; T77-A81 WeakPolarHBondContact CA-O 3.38Å; T77-A81 WeakPolarHBondContact CG2-O 3.43Å; T77-M98 WeakPolarHBondContact O-CG 3.35Å; T77-M98 VanDerWaalsContact O-SD 3.34Å; T77-P100 HydrophobicContact CG2-CB 4.17Å; T77-P100 WeakPolarHBondContact O-CA 3.32Å
78T98.2Very high97.9Very high47 Ų4752.3 Ų52.329%0.28833%0.334SS..EExtended strand (participates in β ladder)trans-133.4128.7175-590000107.7A80 A81 S83 M98T78-A80 VanDerWaalsContact C-N 3.34Å; T78-A80 PolarHBondContact O-N 2.83Å; T78-A81 PolarHBondContact N-O 3.12Å; T78-A81 PolarHBondContact O-N 3.08Å; T78-S83 VanDerWaalsContact CB-OG 3.31Å; T78-S83 WeakPolarHBondContact CB-OG 3.39Å; T78-S83 PolarHBondContact N-OG 3.34Å; T78-S83 VanDerWaalsContact N-OG 3.08Å; T78-S83 PolarHBondContact OG1-OG 3.29Å; T78-M98 PolarHBondContact OG1-O 2.83Å; T78-M98 VanDerWaalsContact OG1-O 3.08Å
79R97.8Very high98Very high97 Ų9751.6 Ų51.637%0.36633%0.327SS..THydrogen-bonded Turntrans49.649.8-178.4-55.2-51-162.1133.624.4113.9A81 Q99 C101 E103R79-A81 PolarHBondContact O-N 2.81Å; R79-A81 VanDerWaalsContact O-N 3.12Å; R79-Q99 PolarHBondContact N-O 3.06Å; R79-C101 VanDerWaalsContact CD-O 3.24Å; R79-C101 WeakPolarHBondContact CD-O 3.46Å; R79-E103 IonicContact CZ-OE1 3.71Å; R79-E103 IonicContact NH1-OE1 3.96Å; R79-E103 IonicContact NH2-OE1 2.99Å; R79-E103 PolarHBondContact NH2-OE1 2.79Å
80A96.2Very high97.9Very high62 Ų6251.9 Ų51.951%0.51233%0.327SS..THydrogen-bonded Turntrans56.721.4-178.600000115.2T78 P100 L102T78-A80 VanDerWaalsContact C-N 3.34Å; T78-A80 PolarHBondContact O-N 2.83Å; A80-P100 WeakPolarHBondContact CA-O 3.19Å; A80-P100 PolarHBondContact N-O 3.31Å; A80-L102 HydrophobicContact CB-CD2 3.89Å; A80-L102 HydrophobicContact CB-CG 3.92Å
81A97.2Very high97.9Very high47 Ų4753.1 Ų53.139%0.38834%0.335SS..EExtended strand (participates in β ladder)trans-124.1149.3175.100000110.9T77 T78 R79 S83T77-A81 VanDerWaalsContact CA-O 3.3Å; T77-A81 WeakPolarHBondContact CA-O 3.38Å; T77-A81 WeakPolarHBondContact CG2-O 3.43Å; T78-A81 PolarHBondContact N-O 3.12Å; T78-A81 PolarHBondContact O-N 3.08Å; R79-A81 PolarHBondContact O-N 2.81Å; R79-A81 VanDerWaalsContact O-N 3.12Å; A81-S83 PolarHBondContact O-N 3.48Å
82P97.8Very high97.9Very high42 Ų4251.6 Ų51.627%0.27332%0.316SS..EExtended strand (participates in β ladder)trans-64.6135.6174.629.4-35000110.2C44 V46 V65C44-P82 HydrophobicContact CB-CB 3.77Å; C44-P82 HydrophobicContact CB-CG 4.38Å; V46-P82 HydrophobicContact CG2-CG 4.11Å; V65-P82 HydrophobicContact CB-CB 4.43Å; V65-P82 HydrophobicContact CG1-CB 3.61Å; V65-P82 HydrophobicContact CG1-CG 4.18Å; V65-P82 HydrophobicContact CG2-CB 3.94Å; V65-P82 HydrophobicContact CG2-CG 4.16Å
83S98.3Very high97.8Very high21 Ų2153.1 Ų53.115%0.14731%0.308CS..EExtended strand (participates in β ladder)trans-149.1163.5-175.5610000111.4C44 G76 T78 A81 V85C44-S83 PolarHBondContact SG-O 3.2Å; C44-S83 VanDerWaalsContact SG-O 3.33Å; G76-S83 CarbonylContact C-O 3.59Å; G76-S83 PolarHBondContact N-O 3.43Å; G76-S83 PolarHBondContact O-N 3.08Å; G76-S83 VanDerWaalsContact O-N 3.08Å; T78-S83 VanDerWaalsContact CB-OG 3.31Å; T78-S83 WeakPolarHBondContact CB-OG 3.39Å; T78-S83 PolarHBondContact N-OG 3.34Å; T78-S83 VanDerWaalsContact N-OG 3.08Å; T78-S83 PolarHBondContact OG1-OG 3.29Å; A81-S83 PolarHBondContact O-N 3.48Å; S83-V85 WeakPolarHBondContact OG-CG1 3.31Å
84C98.6Very high97.8Very high21 Ų2155.5 Ų55.514%0.14231%0.314CS..EExtended strand (participates in β ladder)trans-84.2127.5164.7-65.90000108.9C69 Q73 V74C69-C84 WeakPolarHBondContact CA-SG 3.02Å; C69-C84 HydrophobicContact CB-CB 3.71Å; C69-C84 WeakPolarHBondContact CB-SG 3.37Å; C69-C84 VanDerWaalsContact SG-CA 3.52Å; C69-C84 WeakPolarHBondContact SG-CB 3.35Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.17Å; Q73-C84 HydrophobicContact CB-CB 4.29Å; V74-C84 WeakPolarHBondContact O-CA 3.25Å
85V98.6Very high97.9Very high9 Ų953.3 Ų53.36%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-125.9159.3-179.2-560000109.5Q73 V74 S83 A87 V90 M98Q73-V85 CarbonylContact C-O 3.48Å; Q73-V85 WeakPolarHBondContact CA-O 3.41Å; Q73-V85 WeakPolarHBondContact CB-O 3.48Å; V74-V85 HydrophobicContact CG2-CG2 4.11Å; V74-V85 PolarHBondContact N-O 3.09Å; V74-V85 PolarHBondContact O-N 3.23Å; S83-V85 WeakPolarHBondContact OG-CG1 3.31Å; V85-A87 PolarHBondContact O-N 3.38Å; V85-V90 HydrophobicContact CG2-CG2 4.01Å; V85-M98 HydrophobicContact CB-CB 4.17Å; V85-M98 HydrophobicContact CG1-CB 3.71Å; V85-M98 HydrophobicContact CG1-SD 4.27Å; V85-M98 HydrophobicContact CG2-SD 4.44Å
86D98.5Very high97.9Very high80 Ų8051.9 Ų51.943%0.42829%0.285SS..EExtended strand (participates in β ladder)trans-59.9132.7175.2-168-62.4000110.9S88 I89D86-S88 PolarHBondContact O-N 2.9Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 3.28Å; D86-S88 PolarHBondContact OD1-OG 2.79Å; D86-I89 HydrophobicContact CB-CD1 4.02Å; D86-I89 HydrophobicContact CB-CG1 4.17Å; D86-I89 WeakPolarHBondContact O-CB 3.46Å; D86-I89 PolarHBondContact O-N 3.07Å; D86-I89 VanDerWaalsContact O-N 3.12Å
87A98.3Very high98Very high15 Ų1557.3 Ų57.312%0.12431%0.306CS..Hα-helixtrans-57-36-18000000112.5G72 V74 V85 I89 V90 E91G72-A87 WeakPolarHBondContact O-CB 3.49Å; G72-A87 PolarHBondContact O-N 2.87Å; V74-A87 HydrophobicContact CG1-CB 4Å; V85-A87 PolarHBondContact O-N 3.38Å; A87-I89 PolarHBondContact O-N 2.81Å; A87-V90 PolarHBondContact O-N 2.83Å; A87-E91 WeakPolarHBondContact O-CG 3.36Å; A87-E91 PolarHBondContact O-N 3.08Å
88S98.4Very high98Very high45 Ų4556 Ų5632%0.31530%0.298SS..Hα-helixtrans-60.7-31.5179.566.80000112.5D86 V90 Q92D86-S88 PolarHBondContact O-N 2.9Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 3.28Å; D86-S88 PolarHBondContact OD1-OG 2.79Å; S88-V90 VanDerWaalsContact C-N 3.3Å; S88-V90 PolarHBondContact O-N 3.47Å; S88-Q92 WeakPolarHBondContact O-CB 3.03Å; S88-Q92 VanDerWaalsContact O-CG 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.48Å; S88-Q92 PolarHBondContact O-N 2.82Å
89I98.3Very high98Very high24 Ų2459.3 Ų59.312%0.12331%0.31CS..Hα-helixtrans-62-42.6176.3-64.7171.4000110.2D86 A87 K93 W94 H97 M98D86-I89 HydrophobicContact CB-CD1 4.02Å; D86-I89 HydrophobicContact CB-CG1 4.17Å; D86-I89 WeakPolarHBondContact O-CB 3.46Å; D86-I89 PolarHBondContact O-N 3.07Å; D86-I89 VanDerWaalsContact O-N 3.12Å; A87-I89 PolarHBondContact O-N 2.81Å; I89-K93 CarbonylContact O-C 3.58Å; I89-K93 WeakPolarHBondContact O-CA 3.34Å; I89-K93 PolarHBondContact O-N 3.04Å; I89-W94 HydrophobicContact CG2-CB 4.42Å; I89-W94 WeakPolarHBondContact CG2-O 3.34Å; I89-W94 PolarHBondContact O-N 3.32Å; I89-H97 HydrophobicContact CD1-CB 4.27Å; I89-H97 HydrophobicContact CG1-CB 4.2Å; I89-H97 HydrophobicContact CG2-CB 4.34Å; I89-M98 HydrophobicContact CD1-CB 4.23Å; I89-M98 HydrophobicContact CG2-CB 4.09Å; I89-M98 HydrophobicContact CG2-CG 4.2Å
90V97.4Very high98.1Very high39 Ų3954.9 Ų54.924%0.23629%0.293CS..Hα-helixtrans-76.1-45.9-178.8177.80000110.6V74 V85 A87 S88 Q92 K93 W95V74-V90 HydrophobicContact CG2-CB 4.12Å; V74-V90 HydrophobicContact CG2-CG2 3.59Å; V85-V90 HydrophobicContact CG2-CG2 4.01Å; A87-V90 PolarHBondContact O-N 2.83Å; S88-V90 VanDerWaalsContact C-N 3.3Å; S88-V90 PolarHBondContact O-N 3.47Å; V90-Q92 PolarHBondContact O-N 3.25Å; V90-K93 PolarHBondContact O-N 3.49Å; V90-K93 VanDerWaalsContact O-N 3.11Å; V90-W95 HydrophobicContact CB-CZ3 4.19Å; V90-W95 HydrophobicContact CG1-CH2 3.91Å; V90-W95 HydrophobicContact CG1-CZ3 3.88Å; V90-W95 HydrophobicContact CG2-CZ3 4.1Å
91E96.9Very high98.2Very high137 Ų13752.2 Ų52.264%0.6427%0.271SS*.Hα-helixtrans-61.8-45179.9-70.4173.1-179.300112.3A87 K93A87-E91 WeakPolarHBondContact O-CG 3.36Å; A87-E91 PolarHBondContact O-N 3.08Å; E91-K93 PolarHBondContact O-N 2.95Å
92Q97.9Very high98.2Very high101 Ų10153.7 Ų53.747%0.47227%0.272SS..THydrogen-bonded Turntrans-82.5-1.6177.8-56.9-57.7-43.200112.8S88 V90 W94S88-Q92 WeakPolarHBondContact O-CB 3.03Å; S88-Q92 VanDerWaalsContact O-CG 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.48Å; S88-Q92 PolarHBondContact O-N 2.82Å; V90-Q92 PolarHBondContact O-N 3.25Å; Q92-W94 HydrophobicContact CB-CD2 3.71Å; Q92-W94 HydrophobicContact CB-CE3 4.23Å; Q92-W94 HydrophobicContact CB-CG 3.91Å; Q92-W94 HydrophobicContact CB-CZ2 4.14Å; Q92-W94 HydrophobicContact CG-CZ2 4.36Å; Q92-W94 PolarHBondContact O-N 3.12Å
93K97.8Very high98.2Very high84 Ų8459.2 Ų59.237%0.36529%0.294SS..THydrogen-bonded Turntrans57.435.1-180-55.7174.8179.2178.90112.4I89 V90 E91 W95 R113I89-K93 CarbonylContact O-C 3.58Å; I89-K93 WeakPolarHBondContact O-CA 3.34Å; I89-K93 PolarHBondContact O-N 3.04Å; V90-K93 PolarHBondContact O-N 3.49Å; V90-K93 VanDerWaalsContact O-N 3.11Å; E91-K93 PolarHBondContact O-N 2.95Å; K93-W95 HydrophobicContact CB-CZ2 4.08Å; K93-W95 HydrophobicContact CG-CZ2 3.95Å; K93-W95 VanDerWaalsContact O-CD1 3.29Å; K93-W95 PolarHBondContact O-N 2.84Å; K93-W95 VanDerWaalsContact O-N 3.09Å; K93-R113 HydrophobicContact CB-CB 4.21Å; K93-R113 HydrophobicContact CD-CB 3.81Å
94W98.1Very high98.1Very high125 Ų12561.9 Ų61.947%0.47333%0.325SS..  trans-84.744.7178.6-71.7-6.9000111.4I89 Q92 C96 H97I89-W94 HydrophobicContact CG2-CB 4.42Å; I89-W94 WeakPolarHBondContact CG2-O 3.34Å; I89-W94 PolarHBondContact O-N 3.32Å; Q92-W94 HydrophobicContact CB-CD2 3.71Å; Q92-W94 HydrophobicContact CB-CE3 4.23Å; Q92-W94 HydrophobicContact CB-CG 3.91Å; Q92-W94 HydrophobicContact CB-CZ2 4.14Å; Q92-W94 HydrophobicContact CG-CZ2 4.36Å; Q92-W94 PolarHBondContact O-N 3.12Å; W94-C96 PolarHBondContact O-N 2.84Å; W94-H97 HydrophobicContact CB-CB 4.35Å; W94-H97 VanDerWaalsContact O-CB 3.32Å; W94-H97 WeakPolarHBondContact O-CB 3.42Å; W94-H97 PolarHBondContact O-N 2.99Å; W94-H97 PolarHBondContact O-ND1 3.15Å
95W98.5Very high98.1Very high8 Ų862.5 Ų62.53%0.0333%0.326CS..G310 helixtrans-48.8-31-166.2-51.2112.8000115.8V90 K93 H97 M98 P100 V109 R113 W116 V129V90-W95 HydrophobicContact CB-CZ3 4.19Å; V90-W95 HydrophobicContact CG1-CH2 3.91Å; V90-W95 HydrophobicContact CG1-CZ3 3.88Å; V90-W95 HydrophobicContact CG2-CZ3 4.1Å; K93-W95 HydrophobicContact CB-CZ2 4.08Å; K93-W95 HydrophobicContact CG-CZ2 3.95Å; K93-W95 VanDerWaalsContact O-CD1 3.29Å; K93-W95 PolarHBondContact O-N 2.84Å; K93-W95 VanDerWaalsContact O-N 3.09Å; W95-H97 VanDerWaalsContact C-N 3.33Å; W95-H97 PolarHBondContact O-N 3.41Å; W95-M98 HydrophobicContact CB-CE 4.31Å; W95-M98 HydrophobicContact CE3-CE 4.02Å; W95-M98 WeakPolarHBondContact O-CG 3.3Å; W95-P100 WeakPolarHBondContact O-CD 3.42Å; W95-V109 HydrophobicContact CB-CG2 4.3Å; W95-R113 PolarHBondContact NE1-O 2.96Å; W95-W116 HydrophobicContact CB-CB 3.94Å; W95-W116 HydrophobicContact CB-CD2 4.28Å; W95-W116 HydrophobicContact CB-CE3 3.83Å; W95-W116 HydrophobicContact CB-CG 4.36Å; W95-W116 HydrophobicContact CD2-CE3 4.15Å; W95-W116 HydrophobicContact CD2-CZ3 4.43Å; W95-W116 HydrophobicContact CE3-CE3 4.23Å; W95-W116 HydrophobicContact CE3-CZ3 4.1Å; W95-W116 AromaticContact CG-CE3 4Å; W95-W116 HydrophobicContact CG-CE3 4Å; W95-V129 HydrophobicContact CH2-CG2 4.08Å; W95-V129 HydrophobicContact CZ2-CG2 4.35Å; W95-V129 HydrophobicContact CZ3-CG2 4.38Å
96C98.6Very high98.1Very high34 Ų3467.1 Ų67.123%0.2335%0.347CS..G310 helixtrans-76.1-16.6178.1-66.30000114.6W94 M98 Q99 C107W94-C96 PolarHBondContact O-N 2.84Å; C96-M98 VanDerWaalsContact C-N 3.31Å; C96-M98 PolarHBondContact O-N 3.41Å; C96-Q99 PolarHBondContact O-N 2.79Å; C96-C107 WeakPolarHBondContact CA-SG 3.37Å; C96-C107 HydrophobicContact CB-CB 3.76Å; C96-C107 WeakPolarHBondContact CB-SG 2.99Å; C96-C107 WeakPolarHBondContact SG-CB 3.02Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.22Å
97H98.5Very high98.1Very high131 Ų13165.1 Ų65.161%0.60634%0.338SS*.G310 helixtrans-70.2-26.7176.9-7270000112.4I89 W94 W95 Q99I89-H97 HydrophobicContact CD1-CB 4.27Å; I89-H97 HydrophobicContact CG1-CB 4.2Å; I89-H97 HydrophobicContact CG2-CB 4.34Å; W94-H97 HydrophobicContact CB-CB 4.35Å; W94-H97 VanDerWaalsContact O-CB 3.32Å; W94-H97 WeakPolarHBondContact O-CB 3.42Å; W94-H97 PolarHBondContact O-N 2.99Å; W94-H97 PolarHBondContact O-ND1 3.15Å; W95-H97 VanDerWaalsContact C-N 3.33Å; W95-H97 PolarHBondContact O-N 3.41Å; H97-Q99 PolarHBondContact O-N 2.93Å
98M98.2Very high98.1Very high8 Ų869.2 Ų69.24%0.03935%0.353CS..G310 helixtrans-75.90.5170.758.6175.4-178.100113.6T77 T78 V85 I89 W95 C96 P100 W116T77-M98 WeakPolarHBondContact O-CG 3.35Å; T77-M98 VanDerWaalsContact O-SD 3.34Å; T78-M98 PolarHBondContact OG1-O 2.83Å; T78-M98 VanDerWaalsContact OG1-O 3.08Å; V85-M98 HydrophobicContact CB-CB 4.17Å; V85-M98 HydrophobicContact CG1-CB 3.71Å; V85-M98 HydrophobicContact CG1-SD 4.27Å; V85-M98 HydrophobicContact CG2-SD 4.44Å; I89-M98 HydrophobicContact CD1-CB 4.23Å; I89-M98 HydrophobicContact CG2-CB 4.09Å; I89-M98 HydrophobicContact CG2-CG 4.2Å; W95-M98 HydrophobicContact CB-CE 4.31Å; W95-M98 HydrophobicContact CE3-CE 4.02Å; W95-M98 WeakPolarHBondContact O-CG 3.3Å; C96-M98 VanDerWaalsContact C-N 3.31Å; C96-M98 PolarHBondContact O-N 3.41Å; M98-P100 HydrophobicContact CE-CB 3.98Å; M98-P100 HydrophobicContact CE-CG 4.26Å; M98-P100 HydrophobicContact CG-CB 4.41Å; M98-W116 HydrophobicContact CE-CD2 4.07Å; M98-W116 HydrophobicContact CE-CE3 3.72Å; M98-W116 HydrophobicContact CE-CH2 3.43Å; M98-W116 VanDerWaalsContact CE-CH2 3.43Å; M98-W116 HydrophobicContact CE-CZ2 3.78Å; M98-W116 HydrophobicContact CE-CZ3 3.42Å; M98-W116 VanDerWaalsContact CE-CZ3 3.42Å
99Q98.6Very high98.1Very high116 Ų11669.9 Ų69.954%0.54236%0.356SS..  trans50.359.8-178.4-58.8-179.9-50.800112.5R79 C96 H97 C101R79-Q99 PolarHBondContact N-O 3.06Å; C96-Q99 PolarHBondContact O-N 2.79Å; H97-Q99 PolarHBondContact O-N 2.93Å; Q99-C101 PolarHBondContact O-N 2.92Å
100P98.5Very high98.1Very high3 Ų369.8 Ų69.82%0.01936%0.355CS..  trans-74.2-14.4-170.631.6-36.3000113.7T77 A80 W95 M98 W116T77-P100 HydrophobicContact CG2-CB 4.17Å; T77-P100 WeakPolarHBondContact O-CA 3.32Å; A80-P100 WeakPolarHBondContact CA-O 3.19Å; A80-P100 PolarHBondContact N-O 3.31Å; W95-P100 WeakPolarHBondContact O-CD 3.42Å; M98-P100 HydrophobicContact CE-CB 3.98Å; M98-P100 HydrophobicContact CE-CG 4.26Å; M98-P100 HydrophobicContact CG-CB 4.41Å; P100-W116 HydrophobicContact CB-CD2 4.36Å; P100-W116 HydrophobicContact CB-CZ2 3.92Å; P100-W116 VanDerWaalsContact CB-NE1 3.34Å; P100-W116 VanDerWaalsContact CG-CD1 3.43Å; P100-W116 HydrophobicContact CG-CD2 4.13Å; P100-W116 HydrophobicContact CG-CG 3.9Å
101C98.5Very high98.1Very high6 Ų674.4 Ų74.44%0.04139%0.386CS..SBendtrans-91.1158.6-176.2-50.80000112.5R79 Q99 E105 C107 C118R79-C101 VanDerWaalsContact CD-O 3.24Å; R79-C101 WeakPolarHBondContact CD-O 3.46Å; Q99-C101 PolarHBondContact O-N 2.92Å; C101-E105 HydrophobicContact CB-CB 3.67Å; C101-C107 VanDerWaalsContact SG-CB 3.54Å; C101-C118 WeakPolarHBondContact CA-SG 3.45Å; C101-C118 HydrophobicContact CB-CB 3.65Å; C101-C118 WeakPolarHBondContact CB-SG 3.33Å; C101-C118 WeakPolarHBondContact SG-CA 3.41Å; C101-C118 WeakPolarHBondContact SG-CB 3.17Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 3Å
102L98.2Very high98.2Very high79 Ų7971.7 Ų71.741%0.41438%0.376SS..PPolyproline II helixtrans-68.5168.9172.6-67.8171000111.2A80 G104 E105A80-L102 HydrophobicContact CB-CD2 3.89Å; A80-L102 HydrophobicContact CB-CG 3.92Å; L102-G104 PolarHBondContact O-N 2.81Å; L102-E105 HydrophobicContact CB-CG 4.31Å; L102-E105 PolarHBondContact N-OE2 2.93Å; L102-E105 PolarHBondContact O-N 2.05Å
103E96.8Very high98.1Very high158 Ų15874.2 Ų74.274%0.73838%0.381SS*.THydrogen-bonded Turntrans-60.9135171.1-71.1-177.3172.900111.1R79 E105R79-E103 IonicContact CZ-OE1 3.71Å; R79-E103 IonicContact NH1-OE1 3.96Å; R79-E103 IonicContact NH2-OE1 2.99Å; R79-E103 PolarHBondContact NH2-OE1 2.79Å; E103-E105 VanDerWaalsContact C-N 3.27Å; E103-E105 PolarHBondContact O-N 2.03Å
104G96.8Very high98.1Very high77 Ų7775.2 Ų75.279%0.79439%0.385SS*.THydrogen-bonded Turntrans79.20.3-176.600000115.3L102L102-G104 PolarHBondContact O-N 2.81Å
105E98.4Very high98.1Very high34 Ų3469.2 Ų69.216%0.15936%0.363CS..PPolyproline II helixtrans-92137.8169.7-72.6179160.500110.8C101 L102 E103 C118 S119 K125C101-E105 HydrophobicContact CB-CB 3.67Å; L102-E105 HydrophobicContact CB-CG 4.31Å; L102-E105 PolarHBondContact N-OE2 2.93Å; L102-E105 PolarHBondContact O-N 2.05Å; E103-E105 VanDerWaalsContact C-N 3.27Å; E103-E105 PolarHBondContact O-N 2.03Å; E105-C118 HydrophobicContact CB-CB 4.33Å; E105-C118 WeakPolarHBondContact OE2-CB 3.42Å; E105-S119 CarbonylContact C-O 3.55Å; E105-S119 WeakPolarHBondContact CA-O 3.35Å; E105-K125 IonicContact OE1-NZ 3.14Å; E105-K125 PolarHBondContact OE1-NZ 3.45Å
106E98.4Very high98.1Very high106 Ų10669.7 Ų69.750%0.49536%0.364SS..EExtended strand (participates in β ladder)trans-85.5127.5172-172-171.1-17400109.7K108 C118 S119E106-K108 VanDerWaalsContact CD-NZ 3.3Å; E106-K108 WeakPolarHBondContact OE1-CE 3.36Å; E106-K108 IonicContact OE1-NZ 2.87Å; E106-K108 PolarHBondContact OE1-NZ 3.17Å; E106-K108 VanDerWaalsContact OE1-NZ 3.14Å; E106-K108 WeakPolarHBondContact OE2-CE 3.46Å; E106-K108 IonicContact OE2-NZ 2.78Å; E106-K108 PolarHBondContact OE2-NZ 2.8Å; E106-C118 WeakPolarHBondContact O-CA 3.02Å; E106-S119 PolarHBondContact N-O 2.86Å; E106-S119 PolarHBondContact O-N 3.22Å; E106-S119 PolarHBondContact O-OG 3.47Å
107C98.7Very high98.1Very high37 Ų3768.8 Ų68.825%0.2536%0.359CS..EExtended strand (participates in β ladder)trans-92.6131.9174.9-173.70000111.3C96 C101 S117C96-C107 WeakPolarHBondContact CA-SG 3.37Å; C96-C107 HydrophobicContact CB-CB 3.76Å; C96-C107 WeakPolarHBondContact CB-SG 2.99Å; C96-C107 WeakPolarHBondContact SG-CB 3.02Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.22Å; C101-C107 VanDerWaalsContact SG-CB 3.54Å; C107-S117 WeakPolarHBondContact CA-O 3.08Å
108K98.6Very high98.1Very high101 Ų10163 Ų6344%0.43933%0.333SS..EExtended strand (participates in β ladder)trans-129.6135.1169.5-67.2179.9178.21520110.8E106 W116 S117E106-K108 VanDerWaalsContact CD-NZ 3.3Å; E106-K108 WeakPolarHBondContact OE1-CE 3.36Å; E106-K108 IonicContact OE1-NZ 2.87Å; E106-K108 PolarHBondContact OE1-NZ 3.17Å; E106-K108 VanDerWaalsContact OE1-NZ 3.14Å; E106-K108 WeakPolarHBondContact OE2-CE 3.46Å; E106-K108 IonicContact OE2-NZ 2.78Å; E106-K108 PolarHBondContact OE2-NZ 2.8Å; K108-W116 CarbonylContact O-C 3.51Å; K108-W116 WeakPolarHBondContact O-CA 3.4Å; K108-W116 WeakPolarHBondContact O-CB 2.91Å; K108-S117 PolarHBondContact N-O 2.78Å; K108-S117 PolarHBondContact O-N 2.85Å
109V98.5Very high98.2Very high60 Ų6063.6 Ų63.636%0.36434%0.338SS..EExtended strand (participates in β ladder)trans-70.2136.4169.1172.50000108.7W95 R113W95-V109 HydrophobicContact CB-CG2 4.3Å; V109-R113 HydrophobicContact CG1-CB 4.45Å; V109-R113 HydrophobicContact CG1-CG 4.37Å
110L98.6Very high98.1Very high21 Ų2161 Ų6111%0.1133%0.333CS..  trans-63.7149.6177-65.6178.8000111.1D112 R113 G115 T126 R128L110-D112 WeakPolarHBondContact CB-OD1 3.38Å; L110-D112 PolarHBondContact O-N 3.4Å; L110-R113 WeakPolarHBondContact O-CA 3.24Å; L110-R113 PolarHBondContact O-N 2.94Å; L110-G115 PolarHBondContact N-O 2.78Å; L110-T126 HydrophobicContact CD1-CG2 3.9Å; L110-T126 HydrophobicContact CD2-CG2 3.93Å; L110-T126 HydrophobicContact CG-CG2 4.49Å; L110-R128 HydrophobicContact CD1-CG 3.87Å
111P97.9Very high98Very high136 Ų13664.3 Ų64.388%0.88337%0.367SS*.THydrogen-bonded Turntrans-56.7-34.4-176.9-2835.6000114.6R113P111-R113 PolarHBondContact O-N 3.37Å
112D97.2Very high97.8Very high81 Ų8172.4 Ų72.443%0.43341%0.41SS..THydrogen-bonded Turntrans-81.3-0.1176.866.1-4.7000113.5L110 K114L110-D112 WeakPolarHBondContact CB-OD1 3.38Å; L110-D112 PolarHBondContact O-N 3.4Å; D112-K114 HydrophobicContact CB-CG 4.37Å; D112-K114 PolarHBondContact O-N 3.14Å; D112-K114 VanDerWaalsContact O-N 3.15Å; D112-K114 PolarHBondContact OD1-N 2.83Å
113R97.6Very high97.8Very high154 Ų15476.5 Ų76.558%0.58143%0.425SS*.SBendtrans57.217.7-173.6-52.5-176.8177.6-152.10.8114K93 W95 V109 L110 P111 G115K93-R113 HydrophobicContact CB-CB 4.21Å; K93-R113 HydrophobicContact CD-CB 3.81Å; W95-R113 PolarHBondContact NE1-O 2.96Å; V109-R113 HydrophobicContact CG1-CB 4.45Å; V109-R113 HydrophobicContact CG1-CG 4.37Å; L110-R113 WeakPolarHBondContact O-CA 3.24Å; L110-R113 PolarHBondContact O-N 2.94Å; P111-R113 PolarHBondContact O-N 3.37Å; R113-G115 VanDerWaalsContact C-N 3.28Å; R113-G115 PolarHBondContact O-N 2.87Å
114K97.8Very high97.8Very high104 Ų10473.4 Ų73.445%0.45242%0.416SS..SBendtrans-93.928.5179.2-61.8-169.3175.3-170.70112.8D112 R128 V129D112-K114 HydrophobicContact CB-CG 4.37Å; D112-K114 PolarHBondContact O-N 3.14Å; D112-K114 VanDerWaalsContact O-N 3.15Å; D112-K114 PolarHBondContact OD1-N 2.83Å; K114-R128 CarbonylContact O-C 3.59Å; K114-R128 WeakPolarHBondContact O-CA 3.38Å; K114-V129 PolarHBondContact O-N 2.89Å
115G98.1Very high97.9Very high0 Ų075.2 Ų75.20%040%0.402CS..EExtended strand (participates in β ladder)trans152.6-158.9176.700000112.8L110 R113 T127L110-G115 PolarHBondContact N-O 2.78Å; R113-G115 VanDerWaalsContact C-N 3.28Å; R113-G115 PolarHBondContact O-N 2.87Å; G115-T127 WeakPolarHBondContact CA-O 3.16Å
116W98.6Very high97.9Very high17 Ų1777.3 Ų77.36%0.06442%0.417CS..EExtended strand (participates in β ladder)trans-144.8166.4-177.165.696.3000111.8W95 M98 P100 K108 T127 V129W95-W116 HydrophobicContact CB-CB 3.94Å; W95-W116 HydrophobicContact CB-CD2 4.28Å; W95-W116 HydrophobicContact CB-CE3 3.83Å; W95-W116 HydrophobicContact CB-CG 4.36Å; W95-W116 HydrophobicContact CD2-CE3 4.15Å; W95-W116 HydrophobicContact CD2-CZ3 4.43Å; W95-W116 HydrophobicContact CE3-CE3 4.23Å; W95-W116 HydrophobicContact CE3-CZ3 4.1Å; W95-W116 AromaticContact CG-CE3 4Å; W95-W116 HydrophobicContact CG-CE3 4Å; M98-W116 HydrophobicContact CE-CD2 4.07Å; M98-W116 HydrophobicContact CE-CE3 3.72Å; M98-W116 HydrophobicContact CE-CH2 3.43Å; M98-W116 VanDerWaalsContact CE-CH2 3.43Å; M98-W116 HydrophobicContact CE-CZ2 3.78Å; M98-W116 HydrophobicContact CE-CZ3 3.42Å; M98-W116 VanDerWaalsContact CE-CZ3 3.42Å; P100-W116 HydrophobicContact CB-CD2 4.36Å; P100-W116 HydrophobicContact CB-CZ2 3.92Å; P100-W116 VanDerWaalsContact CB-NE1 3.34Å; P100-W116 VanDerWaalsContact CG-CD1 3.43Å; P100-W116 HydrophobicContact CG-CD2 4.13Å; P100-W116 HydrophobicContact CG-CG 3.9Å; K108-W116 CarbonylContact O-C 3.51Å; K108-W116 WeakPolarHBondContact O-CA 3.4Å; K108-W116 WeakPolarHBondContact O-CB 2.91Å; W116-T127 HydrophobicContact CD2-CG2 4.41Å; W116-T127 HydrophobicContact CE3-CG2 4.31Å; W116-T127 HydrophobicContact CH2-CG2 3.38Å; W116-T127 HydrophobicContact CZ2-CG2 3.48Å; W116-T127 VanDerWaalsContact CZ2-CG2 3.48Å; W116-T127 HydrophobicContact CZ3-CG2 3.81Å; W116-T127 PolarHBondContact N-O 3.17Å; W116-T127 PolarHBondContact O-N 3.43Å; W116-V129 HydrophobicContact CZ3-CG2 4.26Å
117S98.5Very high97.8Very high16 Ų1675 Ų7511%0.11241%0.411CS..EExtended strand (participates in β ladder)trans-123.3143.7168.262.30000110.9C107 K108 K125C107-S117 WeakPolarHBondContact CA-O 3.08Å; K108-S117 PolarHBondContact N-O 2.78Å; K108-S117 PolarHBondContact O-N 2.85Å; S117-K125 CarbonylContact C-O 3.58Å; S117-K125 WeakPolarHBondContact CA-O 3.39Å
118C98.7Very high97.8Very high9 Ų982.3 Ų82.36%0.06143%0.433CS..EExtended strand (participates in β ladder)trans-112.7119.5169.7-60.30000108.6C101 E105 E106 K125C101-C118 WeakPolarHBondContact CA-SG 3.45Å; C101-C118 HydrophobicContact CB-CB 3.65Å; C101-C118 WeakPolarHBondContact CB-SG 3.33Å; C101-C118 WeakPolarHBondContact SG-CA 3.41Å; C101-C118 WeakPolarHBondContact SG-CB 3.17Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 3Å; E105-C118 HydrophobicContact CB-CB 4.33Å; E105-C118 WeakPolarHBondContact OE2-CB 3.42Å; E106-C118 WeakPolarHBondContact O-CA 3.02Å; C118-K125 PolarHBondContact N-O 3.28Å; C118-K125 PolarHBondContact O-N 2.84Å
119S98.4Very high97.6Very high20 Ų2079.5 Ų79.514%0.1442%0.424CS..EExtended strand (participates in β ladder)trans-117.5137.3-177.549.40000112.9E105 E106 K123E105-S119 CarbonylContact C-O 3.55Å; E105-S119 WeakPolarHBondContact CA-O 3.35Å; E106-S119 PolarHBondContact N-O 2.86Å; E106-S119 PolarHBondContact O-N 3.22Å; E106-S119 PolarHBondContact O-OG 3.47Å; S119-K123 CarbonylContact C-O 3.6Å; S119-K123 VanDerWaalsContact CA-O 3.28Å; S119-K123 WeakPolarHBondContact CA-O 3.47Å
120S97.9Very high97.3Very high63 Ų6383.1 Ų83.144%0.44145%0.447SS..EExtended strand (participates in β ladder)trans-136.9108170.4-178.70000109.1N122 K123S120-N122 PolarHBondContact O-N 2.87Å; S120-K123 PolarHBondContact N-O 3.05Å; S120-K123 WeakPolarHBondContact O-CB 3.28Å; S120-K123 PolarHBondContact O-N 2.91Å
121G95.1Very high96.2Very high72 Ų7291.5 Ų91.574%0.74249%0.485SS*.THydrogen-bonded Turntrans55.8-126.1-169.300000111.2K123G121-K123 VanDerWaalsContact C-N 3.29Å; G121-K123 PolarHBondContact O-N 3.31Å
122N95.9Very high96.1Very high175 Ų17589.3 Ų89.394%0.93647%0.465SS*.THydrogen-bonded Turntrans-83.70.9179.2-62.8-23.5000114S120S120-N122 PolarHBondContact O-N 2.87Å
123K97.3Very high96.1Very high166 Ų16689.7 Ų89.772%0.72247%0.467SS*.EExtended strand (participates in β ladder)trans-95.1121179.8-63.2177.8-178.3174.40109.4S119 S120 G121S119-K123 CarbonylContact C-O 3.6Å; S119-K123 VanDerWaalsContact CA-O 3.28Å; S119-K123 WeakPolarHBondContact CA-O 3.47Å; S120-K123 PolarHBondContact N-O 3.05Å; S120-K123 WeakPolarHBondContact O-CB 3.28Å; S120-K123 PolarHBondContact O-N 2.91Å; G121-K123 VanDerWaalsContact C-N 3.29Å; G121-K123 PolarHBondContact O-N 3.31Å
124V98Very high96Very high92 Ų9286.1 Ų86.156%0.55846%0.46SS*.EExtended strand (participates in β ladder)trans-121.3119.4176.8-175.70000109.2
125K97.6Very high95.9Very high115 Ų11585.1 Ų85.150%0.546%0.461SS..EExtended strand (participates in β ladder)trans-99.8130169.6-61.8170.7-167.6151.40107.9E105 S117 C118E105-K125 IonicContact OE1-NZ 3.14Å; E105-K125 PolarHBondContact OE1-NZ 3.45Å; S117-K125 CarbonylContact C-O 3.58Å; S117-K125 WeakPolarHBondContact CA-O 3.39Å; C118-K125 PolarHBondContact N-O 3.28Å; C118-K125 PolarHBondContact O-N 2.84Å
126T98Very high95.7Very high78 Ų7890.4 Ų90.448%0.47949%0.489SS..EExtended strand (participates in β ladder)trans-116.7129.4179.8-62.50000109.8L110 R128L110-T126 HydrophobicContact CD1-CG2 3.9Å; L110-T126 HydrophobicContact CD2-CG2 3.93Å; L110-T126 HydrophobicContact CG-CG2 4.49Å; T126-R128 HydrophobicContact CG2-CG 4.15Å
127T97.4Very high95.5Very high59 Ų5995.3 Ų95.336%0.36252%0.518SS..EExtended strand (participates in β ladder)trans-110.2129.1171.1-59.10000108.8G115 W116G115-T127 WeakPolarHBondContact CA-O 3.16Å; W116-T127 HydrophobicContact CD2-CG2 4.41Å; W116-T127 HydrophobicContact CE3-CG2 4.31Å; W116-T127 HydrophobicContact CH2-CG2 3.38Å; W116-T127 HydrophobicContact CZ2-CG2 3.48Å; W116-T127 VanDerWaalsContact CZ2-CG2 3.48Å; W116-T127 HydrophobicContact CZ3-CG2 3.81Å; W116-T127 PolarHBondContact N-O 3.17Å; W116-T127 PolarHBondContact O-N 3.43Å
128R97.5Very high95.3Very high189 Ų189100.9 Ų100.971%0.71355%0.547SS*.EExtended strand (participates in β ladder)trans-116.8140.3176.5-68.6-173.5174.9-162.9-2.1110.2L110 K114 T126L110-R128 HydrophobicContact CD1-CG 3.87Å; K114-R128 CarbonylContact O-C 3.59Å; K114-R128 WeakPolarHBondContact O-CA 3.38Å; T126-R128 HydrophobicContact CG2-CG 4.15Å
129V95.6Very high95.1Very high42 Ų42108 Ų10826%0.25558%0.584SS.*  trans-103.3123.6174.7-174.70000108.1W95 K114 W116W95-V129 HydrophobicContact CH2-CG2 4.08Å; W95-V129 HydrophobicContact CZ2-CG2 4.35Å; W95-V129 HydrophobicContact CZ3-CG2 4.38Å; K114-V129 PolarHBondContact O-N 2.89Å; W116-V129 HydrophobicContact CZ3-CG2 4.26Å
130T91.7Very high94.8Very high137 Ų137115.3 Ų115.384%0.8462%0.621SS**  trans-93.6115.3171.952.70000108.3
131H75.4Confident94.5Very high196 Ų196120.1 Ų120.191%0.90764%0.638SS**  trans-102.80164.7-67.4-81.4000108.7

Retrieved 131 of 131 residues in 773.4 ms (Link to these results)