A0A075B728_HUMAN Loading...

Platelet endothelial cell adhesion molecule

AlphaFold DB , UniProt , Accession A0A075B728, Species HUMAN (Homo sapiens, Human), Gene PECAM1, Length 183 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
1M31Very low43.5Very low233 Ų233146.9 Ų146.9100%1.14883%0.832SS**  0122.40-154.3146.470.600106.3
2S33.2Very low44.1Very low115 Ų115144.8 Ų144.880%0.80482%0.816SS**  trans75.295.8167.3-39.70000118
3I37.4Very low44.8Very low160 Ų160145.1 Ų145.182%0.82181%0.809SS**  trans-61.2136.4151.5-62.1160.2000108.1
4E35Very low45.3Very low199 Ų199148.1 Ų148.193%0.9381%0.81SS**  trans-142117.6141.4-75-156.3160.900109.8
5A46.3Very low46.1Very low97 Ų97148.9 Ų148.980%0.80281%0.812SS**  trans-82135.3169.200000108.6
6S43.9Very low46.7Very low115 Ų115145.5 Ų145.580%0.80481%0.81SS**  trans-137.692.5167.3-172.10000108.9
7G53.3Low47.2Very low75 Ų75141.1 Ų141.177%0.77380%0.804SS**  trans-88.3136.7170.900000110.9
8I54.2Low47.8Very low157 Ų157138.9 Ų138.981%0.80580%0.8SS**  trans-147.192.5163.2-57.5-178.8000106
9N43.7Very low48Very low138 Ų138136.6 Ų136.674%0.73879%0.793SS**  88.484.9100.4-153.819.3000112.8F11N9-F11 PolarHBondContact O-N 2.94Å
10M50.1Low48.3Very low164 Ų164138.2 Ų138.281%0.80880%0.797SS**  trans-76.4100.5170.7-174.7160.363.800108.4L12M10-L12 PolarHBondContact O-N 3.35Å
11F51Low48.4Very low163 Ų163139.9 Ų139.972%0.71580%0.798SS**  trans-72.391.7178.1-155.2-99.9000109.3N9 M13N9-F11 PolarHBondContact O-N 2.94Å; F11-M13 HydrophobicContact CD1-CG 4.15Å; F11-M13 HydrophobicContact CD1-SD 4.06Å; F11-M13 HydrophobicContact CE1-SD 3.9Å; F11-M13 PolarHBondContact O-N 3.37Å
12L50.4Low49.4Very low122 Ų122131.8 Ų131.864%0.63977%0.774SS**  trans-66.699.7167.5-86.9157.3000107.9M10 F14M10-L12 PolarHBondContact O-N 3.35Å; L12-F14 HydrophobicContact CB-CD2 4.39Å; L12-F14 HydrophobicContact CB-CE2 4.25Å; L12-F14 PolarHBondContact O-N 2.66Å
13M53.5Low50.6Low148 Ų148134.3 Ų134.373%0.72977%0.773SS**  trans-6392.5164.1-70.9-83-87.600107.2F11 L15F11-M13 HydrophobicContact CD1-CG 4.15Å; F11-M13 HydrophobicContact CD1-SD 4.06Å; F11-M13 HydrophobicContact CE1-SD 3.9Å; F11-M13 PolarHBondContact O-N 3.37Å; M13-L15 PolarHBondContact O-N 3.13Å
14F51.4Low52.1Low188 Ų188135.3 Ų135.383%0.82577%0.774SS**  trans-63.793164.9-82.1-86.6000107L12 A16L12-F14 HydrophobicContact CB-CD2 4.39Å; L12-F14 HydrophobicContact CB-CE2 4.25Å; L12-F14 PolarHBondContact O-N 2.66Å; F14-A16 PolarHBondContact O-N 3.43Å
15L56.8Low54.2Low160 Ų160129.8 Ų129.884%0.83875%0.751SS**  trans-6491.8158.3-70.7172.3000105.7M13 G17M13-L15 PolarHBondContact O-N 3.13Å; L15-G17 PolarHBondContact O-N 3.42Å
16A56.2Low56.1Low94 Ų94127.8 Ų127.878%0.77773%0.731SS**  trans-64.685.9162.600000106.3F14 S18F14-A16 PolarHBondContact O-N 3.43Å; A16-S18 VanDerWaalsContact C-N 3.26Å; A16-S18 PolarHBondContact O-N 2.81Å
17G55.7Low58.3Low70 Ų70123.6 Ų123.672%0.72270%0.698SS**  trans-60.297.916300000106.4L15 S19L15-G17 PolarHBondContact O-N 3.42Å; G17-S19 VanDerWaalsContact C-N 3.26Å; G17-S19 PolarHBondContact O-N 2.82Å
18S56.6Low60.1Low103 Ų103123.1 Ų123.172%0.7268%0.681SS**  trans-60.9100.9162.149.80000105.5A16 L20A16-S18 VanDerWaalsContact C-N 3.26Å; A16-S18 PolarHBondContact O-N 2.81Å; S18-L20 VanDerWaalsContact C-N 3.3Å; S18-L20 PolarHBondContact O-N 3.28Å
19S53Low62.1Low95 Ų95116.5 Ų116.566%0.66465%0.647SS**  trans-56.6104.6163.4-176.50000105.1G17 E21G17-S19 VanDerWaalsContact C-N 3.26Å; G17-S19 PolarHBondContact O-N 2.82Å; S19-E21 PolarHBondContact O-N 2.82Å
20L53.2Low64.6Low167 Ų167113 Ų11387%0.87463%0.628SS**  trans-66.990.9159.6-79.4164.6000103.9S18 G22S18-L20 VanDerWaalsContact C-N 3.3Å; S18-L20 PolarHBondContact O-N 3.28Å; L20-G22 PolarHBondContact O-N 2.91Å
21E50.5Low66.9Low174 Ų174107.1 Ų107.181%0.81360%0.603SS**  trans-61.987161.7-76.3167.5163.400105.5S19 Q23S19-E21 PolarHBondContact O-N 2.82Å; E21-Q23 PolarHBondContact O-N 2.79Å
22G52.5Low69.1Low63 Ų6399.8 Ų99.865%0.64957%0.572SS**  trans-56.4110.9167.900000105.9L20 E24L20-G22 PolarHBondContact O-N 2.91Å; G22-E24 VanDerWaalsContact C-N 3.32Å; G22-E24 PolarHBondContact O-N 2.87Å
23Q58.3Low71.4Confident168 Ų16897.7 Ų97.779%0.78556%0.561SS**  trans-63.599.3175.9-175.8153.711.100107.5E21 N25E21-Q23 PolarHBondContact O-N 2.79Å; Q23-N25 PolarHBondContact O-N 2.79Å
24E69.2Low73.5Confident181 Ų18191.2 Ų91.285%0.84653%0.529SS*.PPolyproline II helixtrans-63.6119.5176.5-80.9-167.3157.300108.4G22 S26G22-E24 VanDerWaalsContact C-N 3.32Å; G22-E24 PolarHBondContact O-N 2.87Å; E24-S26 PolarHBondContact O-N 2.82Å; E24-S26 VanDerWaalsContact O-N 3.14Å
25N79.1Confident75.7Confident84 Ų8487.5 Ų87.545%0.44951%0.513SS..PPolyproline II helixtrans-63.9116.9172.9-74-37.9000108.7Q23 F27 S60Q23-N25 PolarHBondContact O-N 2.79Å; N25-F27 HydrophobicContact CB-CE2 3.73Å; N25-F27 HydrophobicContact CB-CZ 4.12Å; N25-F27 WeakPolarHBondContact O-CD2 3.42Å; N25-F27 WeakPolarHBondContact O-CE2 3.41Å; N25-S60 WeakPolarHBondContact OD1-CA 3.33Å
26S85.4Confident77.7Confident55 Ų5580 Ų8039%0.38547%0.474SS..PPolyproline II helixtrans-88.4146.1175.469.70000110.4E24 T58 T59E24-S26 PolarHBondContact O-N 2.82Å; E24-S26 VanDerWaalsContact O-N 3.14Å; S26-T58 VanDerWaalsContact O-CA 3.26Å; S26-T58 WeakPolarHBondContact O-CA 3.42Å; S26-T58 PolarHBondContact O-OG1 3.08Å; S26-T59 PolarHBondContact N-OG1 2.72Å; S26-T59 PolarHBondContact O-N 2.68Å; S26-T59 VanDerWaalsContact O-N 3.1Å; S26-T59 WeakPolarHBondContact OG-CG2 2.89Å; S26-T59 PolarHBondContact OG-OG1 2.74Å; S26-T59 VanDerWaalsContact OG-OG1 3.13Å
27F89.4Confident79.7Confident26 Ų2678.5 Ų78.511%0.11445%0.452CS..EExtended strand (participates in β ladder)trans-131.7138.6175.6-61.5-94.7000108.4N25 S57 T58 P64 V108 N109 K111N25-F27 HydrophobicContact CB-CE2 3.73Å; N25-F27 HydrophobicContact CB-CZ 4.12Å; N25-F27 WeakPolarHBondContact O-CD2 3.42Å; N25-F27 WeakPolarHBondContact O-CE2 3.41Å; F27-S57 CarbonylContact C-O 3.58Å; F27-S57 WeakPolarHBondContact CA-O 3.43Å; F27-T58 HydrophobicContact CD1-CG2 4.46Å; F27-T58 WeakPolarHBondContact CD1-OG1 3.49Å; F27-T58 HydrophobicContact CE1-CG2 4.26Å; F27-T58 WeakPolarHBondContact CE1-OG1 3.14Å; F27-T58 WeakPolarHBondContact CZ-OG1 3.45Å; F27-P64 HydrophobicContact CD1-CB 3.91Å; F27-P64 HydrophobicContact CD1-CG 4.02Å; F27-P64 HydrophobicContact CE1-CB 3.71Å; F27-P64 HydrophobicContact CE1-CG 4.01Å; F27-V108 HydrophobicContact CB-CG1 4.37Å; F27-V108 HydrophobicContact CD1-CG1 4.17Å; F27-V108 HydrophobicContact CG-CG1 4.45Å; F27-N109 VanDerWaalsContact CD1-ND2 3.34Å; F27-N109 WeakPolarHBondContact CD1-ND2 3.49Å; F27-N109 HydrophobicContact CD2-CB 3.97Å; F27-N109 WeakPolarHBondContact CD2-ND2 3.38Å; F27-N109 WeakPolarHBondContact CE1-ND2 3.01Å; F27-N109 HydrophobicContact CE2-CB 4.46Å; F27-N109 WeakPolarHBondContact CE2-ND2 3.46Å; F27-N109 HydrophobicContact CG-CB 4.23Å; F27-N109 VanDerWaalsContact CG-ND2 3.28Å; F27-N109 WeakPolarHBondContact CG-ND2 3.36Å; F27-N109 WeakPolarHBondContact CZ-ND2 2.99Å; F27-K111 WeakPolarHBondContact O-CD 3.4Å; F27-K111 WeakPolarHBondContact O-CE 3.43Å; F27-K111 PolarHBondContact O-NZ 3.02Å
28T92.3Very high81.7Confident66 Ų6679.9 Ų79.941%0.40545%0.449SS..EExtended strand (participates in β ladder)trans-137.8130.1177.4-61.20000108.9N30 V56 S57T28-N30 PolarHBondContact O-N 2.67Å; T28-V56 WeakPolarHBondContact O-CA 3.29Å; T28-S57 PolarHBondContact N-O 2.77Å; T28-S57 PolarHBondContact O-N 2.73Å
29I96.2Very high83.7Confident18 Ų1879.3 Ų79.39%0.09244%0.437CS..EExtended strand (participates in β ladder)trans-91.199.8172.7-50.3174.5000107.4V32 D55 V56 V106 V108 K111 K113I29-V32 HydrophobicContact CG2-CG2 3.51Å; I29-D55 CarbonylContact C-O 3.59Å; I29-V56 HydrophobicContact CG1-CG2 4.45Å; I29-V56 HydrophobicContact CG2-CG2 4.48Å; I29-V106 WeakPolarHBondContact CD1-O 3.26Å; I29-V108 HydrophobicContact CD1-CB 4.37Å; I29-V108 HydrophobicContact CD1-CG2 4.49Å; I29-V108 HydrophobicContact CG1-CB 4.47Å; I29-K111 HydrophobicContact CD1-CB 4.36Å; I29-K111 WeakPolarHBondContact CD1-O 3.27Å; I29-K113 HydrophobicContact CB-CB 4.19Å; I29-K113 HydrophobicContact CB-CD 4.43Å; I29-K113 HydrophobicContact CD1-CB 4.26Å; I29-K113 HydrophobicContact CG2-CB 3.86Å; I29-K113 HydrophobicContact CG2-CD 4.05Å
30N96.3Very high85.8Confident64 Ų6477.4 Ų77.434%0.34242%0.416SS..EExtended strand (participates in β ladder)trans-67.5-51.2-176.4-63.7-23000110.5T28 D55 S57 K113T28-N30 PolarHBondContact O-N 2.67Å; N30-D55 HydrophobicContact CB-CB 4.09Å; N30-D55 WeakPolarHBondContact CB-O 3.49Å; N30-D55 VanDerWaalsContact CB-OD2 3.24Å; N30-D55 WeakPolarHBondContact CB-OD2 3.41Å; N30-D55 PolarHBondContact N-O 2.76Å; N30-D55 PolarHBondContact ND2-OD2 2.87Å; N30-S57 PolarHBondContact ND2-OG 2.7Å; N30-K113 PolarHBondContact O-NZ 2.85Å
31S97.1Very high88Confident41 Ų4172.4 Ų72.429%0.28739%0.392SS..EExtended strand (participates in β ladder)trans-146158.6175.374.40000111.2D33 A54 D55S31-D33 PolarHBondContact OG-OD2 2.95Å; S31-A54 WeakPolarHBondContact O-CA 3.41Å; S31-D55 PolarHBondContact O-N 3.44Å
32V98.1Very high90.2Very high9 Ų964.3 Ų64.36%0.05536%0.355CS..EExtended strand (participates in β ladder)trans-135.7130.3167.7-171.60000106.2I29 F53 V106 K113 T115I29-V32 HydrophobicContact CG2-CG2 3.51Å; V32-F53 CarbonylContact C-O 3.51Å; V32-F53 VanDerWaalsContact CA-O 3.28Å; V32-F53 WeakPolarHBondContact CA-O 2.82Å; V32-F53 WeakPolarHBondContact CG1-O 3.12Å; V32-V106 HydrophobicContact CG1-CB 4.3Å; V32-V106 HydrophobicContact CG1-CG2 3.53Å; V32-V106 HydrophobicContact CG2-CB 4.09Å; V32-V106 HydrophobicContact CG2-CG2 4.18Å; V32-K113 HydrophobicContact CG2-CB 3.72Å; V32-K113 HydrophobicContact CG2-CD 4.16Å; V32-K113 HydrophobicContact CG2-CG 3.87Å; V32-T115 HydrophobicContact CB-CG2 4.03Å; V32-T115 HydrophobicContact CG1-CG2 3.44Å; V32-T115 VanDerWaalsContact CG1-CG2 3.44Å
33D98Very high92.4Very high78 Ų7866.1 Ų66.142%0.41735%0.346SS..EExtended strand (participates in β ladder)trans-134.1148.9-175.7-66.6-74.9000109.9S31 F53S31-D33 PolarHBondContact OG-OD2 2.95Å; D33-F53 PolarHBondContact N-O 2.86Å; D33-F53 PolarHBondContact O-N 2.71Å
34M98.2Very high94.2Very high11 Ų1159.5 Ų59.55%0.05432%0.316CS..EExtended strand (participates in β ladder)trans-118145174.8-155.3171.2175.100110.2W40 L50 Q51 F70 C104 T115 Y118M34-W40 HydrophobicContact CB-CH2 4.19Å; M34-W40 HydrophobicContact CG-CH2 4.04Å; M34-W40 HydrophobicContact SD-CH2 4.45Å; M34-L50 HydrophobicContact CE-CB 3.69Å; M34-L50 HydrophobicContact CE-CD1 3.89Å; M34-L50 HydrophobicContact CE-CD2 4.12Å; M34-L50 HydrophobicContact CE-CG 4.11Å; M34-Q51 CarbonylContact C-O 3.59Å; M34-Q51 VanDerWaalsContact CA-O 3.27Å; M34-Q51 WeakPolarHBondContact CA-O 3.38Å; M34-Q51 VanDerWaalsContact CG-O 3.3Å; M34-Q51 WeakPolarHBondContact CG-O 3.36Å; M34-F70 HydrophobicContact CE-CD1 3.82Å; M34-F70 HydrophobicContact CE-CE1 4.1Å; M34-C104 HydrophobicContact SD-CB 4.29Å; M34-T115 HydrophobicContact CB-CG2 4.23Å; M34-Y118 HydrophobicContact CB-CD2 3.73Å; M34-Y118 HydrophobicContact CB-CE2 3.42Å; M34-Y118 VanDerWaalsContact CB-CE2 3.42Å; M34-Y118 HydrophobicContact SD-CD2 4.33Å
35K98.3Very high95.5Very high110 Ų11052.1 Ų52.148%0.47829%0.289SS..EExtended strand (participates in β ladder)trans-134.7138.3174.7-168.1176.5-179.6179.30110.2L37 Q51 F53K35-L37 HydrophobicContact CD-CD2 4.26Å; K35-Q51 PolarHBondContact N-O 2.82Å; K35-Q51 PolarHBondContact O-N 2.98Å; K35-F53 HydrophobicContact CB-CE2 3.75Å
36S98.5Very high96.4Very high3 Ų354.5 Ų54.52%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-96.3145.1165.8560000110.4D39 W40 T49S36-D39 WeakPolarHBondContact CB-O 3.41Å; S36-D39 PolarHBondContact OG-O 3.09Å; S36-W40 WeakPolarHBondContact OG-CA 3.47Å; S36-W40 VanDerWaalsContact OG-CE2 3.24Å; S36-W40 VanDerWaalsContact OG-CG 3.23Å; S36-W40 PolarHBondContact OG-N 3.31Å; S36-T49 CarbonylContact C-O 3.48Å; S36-T49 WeakPolarHBondContact CA-O 3.09Å
37L98.3Very high97Very high62 Ų6255.9 Ų55.933%0.32530%0.299SS..EExtended strand (participates in β ladder)trans-126.7126.2169.9-61.7175000108.6K35 T49 Q51K35-L37 HydrophobicContact CD-CD2 4.26Å; L37-T49 PolarHBondContact N-O 3.02Å; L37-T49 PolarHBondContact O-N 2.63Å; L37-Q51 HydrophobicContact CD1-CG 4.39Å; L37-Q51 VanDerWaalsContact CD1-OE1 3.25Å
38P97.6Very high97.4Very high99 Ų9954.7 Ų54.764%0.64329%0.293SS*.SBendcis-78.4-31.47.730.7-35000114.8
39D98.1Very high97.7Very high91 Ų9153.1 Ų53.149%0.48728%0.284SS..  trans-157.6173.6-177.8-158.7-6.4000110S36 T41 V42S36-D39 WeakPolarHBondContact CB-O 3.41Å; S36-D39 PolarHBondContact OG-O 3.09Å; D39-T41 VanDerWaalsContact C-N 3.3Å; D39-V42 WeakPolarHBondContact O-CG2 3.26Å
40W98.2Very high97.8Very high55 Ų5552.2 Ų52.221%0.20828%0.279CS..SBendtrans-73.3-23175.4-64.9106000112.8M34 S36 L50 Y118 V120 L121M34-W40 HydrophobicContact CB-CH2 4.19Å; M34-W40 HydrophobicContact CG-CH2 4.04Å; M34-W40 HydrophobicContact SD-CH2 4.45Å; S36-W40 WeakPolarHBondContact OG-CA 3.47Å; S36-W40 VanDerWaalsContact OG-CE2 3.24Å; S36-W40 VanDerWaalsContact OG-CG 3.23Å; S36-W40 PolarHBondContact OG-N 3.31Å; W40-L50 HydrophobicContact CZ3-CD2 4.17Å; W40-Y118 HydrophobicContact CD2-CD1 4.3Å; W40-Y118 AromaticContact CE2-CD1 3.56Å; W40-Y118 HydrophobicContact CE3-CG 4.48Å; W40-Y118 AromaticContact CH2-CD1 3.6Å; W40-Y118 HydrophobicContact CH2-CD1 3.6Å; W40-Y118 AromaticContact CH2-CD2 4Å; W40-Y118 HydrophobicContact CH2-CD2 4Å; W40-Y118 HydrophobicContact CH2-CE1 4.35Å; W40-Y118 AromaticContact CH2-CG 3.37Å; W40-Y118 HydrophobicContact CH2-CG 3.37Å; W40-Y118 AromaticContact CZ2-CD1 3.16Å; W40-Y118 HydrophobicContact CZ2-CD1 3.16Å; W40-Y118 HydrophobicContact CZ2-CD2 4.31Å; W40-Y118 AromaticContact CZ2-CE1 3.71Å; W40-Y118 HydrophobicContact CZ2-CE1 3.71Å; W40-Y118 AromaticContact CZ2-CG 3.51Å; W40-Y118 HydrophobicContact CZ2-CG 3.51Å; W40-Y118 HydrophobicContact CZ3-CD1 4.31Å; W40-Y118 AromaticContact CZ3-CG 3.9Å; W40-Y118 HydrophobicContact CZ3-CG 3.9Å; W40-V120 HydrophobicContact CE3-CG2 3.79Å; W40-V120 HydrophobicContact CZ3-CG2 4.02Å; W40-V120 WeakPolarHBondContact O-CA 3.21Å; W40-L121 PolarHBondContact O-N 2.92Å
41T98.3Very high97.9Very high62 Ų6251.1 Ų51.138%0.3827%0.272SS..EExtended strand (participates in β ladder)trans-105.1120.4170.2-55.90000109.9D39 L121 E123D39-T41 VanDerWaalsContact C-N 3.3Å; T41-L121 CarbonylContact C-O 3.55Å; T41-L121 VanDerWaalsContact CA-O 3.29Å; T41-L121 WeakPolarHBondContact CA-O 3.19Å; T41-L121 HydrophobicContact CG2-CB 4.44Å; T41-L121 HydrophobicContact CG2-CD2 4.25Å; T41-L121 HydrophobicContact CG2-CG 4.41Å; T41-E123 VanDerWaalsContact CG2-CD 3.45Å; T41-E123 HydrophobicContact CG2-CG 3.74Å
42V97.8Very high98Very high5 Ų549.2 Ų49.23%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-132.3140.6-173.4-174.30000110.9D39 K46 L48 V94 L121 V122 E123D39-V42 WeakPolarHBondContact O-CG2 3.26Å; V42-K46 HydrophobicContact CG1-CB 3.79Å; V42-L48 HydrophobicContact CG2-CD1 4.14Å; V42-V94 HydrophobicContact CB-CG1 4.26Å; V42-V94 HydrophobicContact CG1-CG1 3.82Å; V42-L121 PolarHBondContact N-O 2.82Å; V42-V122 CarbonylContact O-C 3.57Å; V42-V122 VanDerWaalsContact O-CA 3.25Å; V42-V122 WeakPolarHBondContact O-CA 3.49Å; V42-E123 PolarHBondContact O-N 3.13Å
43Q97.4Very high98Very high101 Ų10151.8 Ų51.847%0.47227%0.269SS..EExtended strand (participates in β ladder)trans-72.9142.4174.9-64-63.6-51.900111.5K46 E123Q43-K46 HydrophobicContact CB-CG 4.11Å; Q43-K46 VanDerWaalsContact O-CB 3.3Å; Q43-K46 WeakPolarHBondContact O-CB 3.33Å; Q43-K46 WeakPolarHBondContact O-CG 3.48Å; Q43-K46 PolarHBondContact O-N 3.18Å; Q43-K46 VanDerWaalsContact O-N 3.14Å; Q43-E123 CarbonylContact C-O 3.59Å; Q43-E123 PolarHBondContact NE2-OE2 3.43Å
44N96.7Very high97.9Very high28 Ų2848.5 Ų48.515%0.1525%0.253CS..THydrogen-bonded Turntrans-52.8137.6178.4-165.1-67.5000112.3K46 R95 V122 E123 G124 P126 E152N44-K46 PolarHBondContact O-N 3.4Å; N44-R95 PolarHBondContact OD1-NH1 3.14Å; N44-V122 HydrophobicContact CB-CG1 4.18Å; N44-E123 WeakPolarHBondContact CB-O 3.37Å; N44-E123 PolarHBondContact N-O 2.57Å; N44-G124 WeakPolarHBondContact CB-O 2.96Å; N44-G124 PolarHBondContact ND2-O 2.79Å; N44-P126 WeakPolarHBondContact OD1-CG 3.08Å; N44-E152 PolarHBondContact ND2-OE1 2.79Å
45G95.9Very high97.8Very high27 Ų2751.8 Ų51.828%0.27827%0.271SS..THydrogen-bonded Turntrans77.42.1-179.100000114.5V94G45-V94 PolarHBondContact N-O 2.81Å
46K97.5Very high97.6Very high133 Ų13348 Ų4858%0.57826%0.257SS*.SBendtrans-86.2161.2169.4-61.7-61.4-175.5-177.50111.2V42 Q43 N44 E93 V94V42-K46 HydrophobicContact CG1-CB 3.79Å; Q43-K46 HydrophobicContact CB-CG 4.11Å; Q43-K46 VanDerWaalsContact O-CB 3.3Å; Q43-K46 WeakPolarHBondContact O-CB 3.33Å; Q43-K46 WeakPolarHBondContact O-CG 3.48Å; Q43-K46 PolarHBondContact O-N 3.18Å; Q43-K46 VanDerWaalsContact O-N 3.14Å; N44-K46 PolarHBondContact O-N 3.4Å; K46-E93 CarbonylContact O-C 3.53Å; K46-E93 WeakPolarHBondContact O-CA 3.38Å; K46-V94 WeakPolarHBondContact O-CB 3.5Å; K46-V94 WeakPolarHBondContact O-CG1 3.33Å; K46-V94 PolarHBondContact O-N 2.79Å
47N98.2Very high97.3Very high85 Ų8550.6 Ų50.646%0.45528%0.275SS..  trans-83.3141.9177.1-61.3-15.7000110.3F90 E93N47-F90 HydrophobicContact CB-CE2 3.69Å; N47-F90 HydrophobicContact CB-CZ 3.83Å; N47-E93 PolarHBondContact OD1-N 2.85Å; N47-E93 VanDerWaalsContact OD1-N 3.14Å
48L98.4Very high96.9Very high0 Ų050 Ų500%027%0.274CS..EExtended strand (participates in β ladder)trans-124.6134.3176.3169.462.1000109.2V42 L50 I91 V94 V120V42-L48 HydrophobicContact CG2-CD1 4.14Å; L48-L50 HydrophobicContact CD1-CD2 4.18Å; L48-L50 HydrophobicContact CD2-CD2 4.3Å; L48-L50 HydrophobicContact CG-CD2 4.3Å; L48-L50 HydrophobicContact CG-CG 4.49Å; L48-I91 HydrophobicContact CB-CB 4.36Å; L48-I91 HydrophobicContact CD2-CD1 4.08Å; L48-I91 HydrophobicContact CG-CD1 4.5Å; L48-I91 PolarHBondContact N-O 2.98Å; L48-I91 PolarHBondContact O-N 2.73Å; L48-V94 HydrophobicContact CB-CB 4.38Å; L48-V94 HydrophobicContact CB-CG2 4.41Å; L48-V94 HydrophobicContact CD2-CG2 4.15Å; L48-V120 HydrophobicContact CD2-CG1 3.75Å; L48-V120 HydrophobicContact CD2-CG2 4.42Å
49T98.7Very high96.5Very high33 Ų3349 Ų4920%0.20227%0.266CS..EExtended strand (participates in β ladder)trans-116.9126.3169.7-52.70000109.5S36 L37 Q51 Y89S36-T49 CarbonylContact C-O 3.48Å; S36-T49 WeakPolarHBondContact CA-O 3.09Å; L37-T49 PolarHBondContact N-O 3.02Å; L37-T49 PolarHBondContact O-N 2.63Å; T49-Q51 HydrophobicContact CG2-CG 3.97Å; T49-Y89 WeakPolarHBondContact CA-O 3.48Å
50L98.7Very high95.8Very high0 Ų045.3 Ų45.30%025%0.247CC..EExtended strand (participates in β ladder)trans-99.8124.1171.7-62.6178.3000108.7M34 W40 L48 F77 S88 Y89 I91 Y102 V120M34-L50 HydrophobicContact CE-CB 3.69Å; M34-L50 HydrophobicContact CE-CD1 3.89Å; M34-L50 HydrophobicContact CE-CD2 4.12Å; M34-L50 HydrophobicContact CE-CG 4.11Å; W40-L50 HydrophobicContact CZ3-CD2 4.17Å; L48-L50 HydrophobicContact CD1-CD2 4.18Å; L48-L50 HydrophobicContact CD2-CD2 4.3Å; L48-L50 HydrophobicContact CG-CD2 4.3Å; L48-L50 HydrophobicContact CG-CG 4.49Å; L50-F77 HydrophobicContact CD1-CZ 4.29Å; L50-S88 CarbonylContact O-C 3.58Å; L50-S88 VanDerWaalsContact O-CA 3.23Å; L50-S88 WeakPolarHBondContact O-CA 3.12Å; L50-Y89 PolarHBondContact N-O 3.43Å; L50-Y89 PolarHBondContact O-N 2.99Å; L50-I91 HydrophobicContact CD1-CD1 4.19Å; L50-Y102 HydrophobicContact CD1-CD1 3.41Å; L50-Y102 VanDerWaalsContact CD1-CD1 3.41Å; L50-Y102 HydrophobicContact CD1-CE1 3.43Å; L50-Y102 VanDerWaalsContact CD1-CE1 3.43Å; L50-Y102 HydrophobicContact CD1-CG 4.14Å; L50-V120 HydrophobicContact CD2-CG2 4.2Å
51Q98.5Very high95.1Very high41 Ų4152.1 Ų52.119%0.19228%0.281CS..EExtended strand (participates in β ladder)trans-117.2132.2-179.2-53.5-164.8-71.900109.7M34 K35 L37 T49 F53 E87 S88M34-Q51 CarbonylContact C-O 3.59Å; M34-Q51 VanDerWaalsContact CA-O 3.27Å; M34-Q51 WeakPolarHBondContact CA-O 3.38Å; M34-Q51 VanDerWaalsContact CG-O 3.3Å; M34-Q51 WeakPolarHBondContact CG-O 3.36Å; K35-Q51 PolarHBondContact N-O 2.82Å; K35-Q51 PolarHBondContact O-N 2.98Å; L37-Q51 HydrophobicContact CD1-CG 4.39Å; L37-Q51 VanDerWaalsContact CD1-OE1 3.25Å; T49-Q51 HydrophobicContact CG2-CG 3.97Å; Q51-F53 HydrophobicContact CB-CD2 4.36Å; Q51-F53 HydrophobicContact CB-CE2 3.39Å; Q51-F53 HydrophobicContact CB-CZ 3.51Å; Q51-F53 HydrophobicContact CG-CZ 4.31Å; Q51-E87 WeakPolarHBondContact CA-O 3.45Å; Q51-S88 WeakPolarHBondContact CG-OG 3.37Å; Q51-S88 PolarHBondContact NE2-OG 2.85Å; Q51-S88 VanDerWaalsContact NE2-OG 3.15Å
52C98.4Very high94.4Very high0 Ų054.1 Ų54.10%029%0.293CS..EExtended strand (participates in β ladder)trans-114.3128.6174.5-178.90000109.2F70 T86 E87 C104C52-F70 HydrophobicContact CB-CE1 3.75Å; C52-F70 HydrophobicContact CB-CE2 4.29Å; C52-F70 HydrophobicContact CB-CZ 3.49Å; C52-F70 VanDerWaalsContact CB-CZ 3.49Å; C52-T86 VanDerWaalsContact O-CA 3.25Å; C52-T86 WeakPolarHBondContact O-CA 3.48Å; C52-E87 PolarHBondContact N-O 2.81Å; C52-E87 PolarHBondContact O-N 2.8Å; C52-C104 HydrophobicContact CB-CB 3.71Å; C52-C104 WeakPolarHBondContact CB-SG 3.48Å; C52-C104 WeakPolarHBondContact SG-CB 3.21Å; C52-C104 CovalentContact SG-SG 2.03Å; C52-C104 PolarHBondContact SG-SG 2.81Å
53F97.4Very high93.7Very high63 Ų6361.6 Ų61.628%0.27633%0.325SS..EExtended strand (participates in β ladder)trans-120.2140-177.3-52-98.9000109.1V32 D33 K35 Q51 T86V32-F53 CarbonylContact C-O 3.51Å; V32-F53 VanDerWaalsContact CA-O 3.28Å; V32-F53 WeakPolarHBondContact CA-O 2.82Å; V32-F53 WeakPolarHBondContact CG1-O 3.12Å; D33-F53 PolarHBondContact N-O 2.86Å; D33-F53 PolarHBondContact O-N 2.71Å; K35-F53 HydrophobicContact CB-CE2 3.75Å; Q51-F53 HydrophobicContact CB-CD2 4.36Å; Q51-F53 HydrophobicContact CB-CE2 3.39Å; Q51-F53 HydrophobicContact CB-CZ 3.51Å; Q51-F53 HydrophobicContact CG-CZ 4.31Å; F53-T86 HydrophobicContact CD1-CG2 3.35Å; F53-T86 WeakPolarHBondContact CD1-OG1 3.33Å; F53-T86 HydrophobicContact CE1-CG2 3.33Å; F53-T86 HydrophobicContact CG-CG2 4.1Å; F53-T86 HydrophobicContact CZ-CG2 4.07Å
54A97.1Very high93.4Very high9 Ų957.6 Ų57.67%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-123.8133.7171.200000110.2S31 V56 S85 V106S31-A54 WeakPolarHBondContact O-CA 3.41Å; A54-V56 HydrophobicContact CB-CG2 3.96Å; A54-S85 PolarHBondContact N-O 2.86Å; A54-S85 WeakPolarHBondContact O-CB 3.4Å; A54-V106 HydrophobicContact CB-CB 4.37Å; A54-V106 HydrophobicContact CB-CG1 3.89Å; A54-V106 HydrophobicContact CB-CG2 4.19Å
55D95.9Very high93.2Very high81 Ų8161.7 Ų61.743%0.43333%0.326SS..EExtended strand (participates in β ladder)trans-95.2115.8163-179.925.8000108.6I29 N30 S31I29-D55 CarbonylContact C-O 3.59Å; N30-D55 HydrophobicContact CB-CB 4.09Å; N30-D55 WeakPolarHBondContact CB-O 3.49Å; N30-D55 VanDerWaalsContact CB-OD2 3.24Å; N30-D55 WeakPolarHBondContact CB-OD2 3.41Å; N30-D55 PolarHBondContact N-O 2.76Å; N30-D55 PolarHBondContact ND2-OD2 2.87Å; S31-D55 PolarHBondContact O-N 3.44Å
56V94.3Very high93.2Very high30 Ų3060.9 Ų60.918%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-126.4121.4-174.4-177.80000109.6T28 I29 A54 P64 V108T28-V56 WeakPolarHBondContact O-CA 3.29Å; I29-V56 HydrophobicContact CG1-CG2 4.45Å; I29-V56 HydrophobicContact CG2-CG2 4.48Å; A54-V56 HydrophobicContact CB-CG2 3.96Å; V56-P64 HydrophobicContact CG1-CG 4.18Å; V56-V108 HydrophobicContact CG1-CG1 4.4Å; V56-V108 HydrophobicContact CG2-CG2 4.31Å
57S92.3Very high93.2Very high58 Ų5857.6 Ų57.641%0.40630%0.302SS..EExtended strand (participates in β ladder)trans-97.8138.8171.5-69.20000110.5F27 T28 N30F27-S57 CarbonylContact C-O 3.58Å; F27-S57 WeakPolarHBondContact CA-O 3.43Å; T28-S57 PolarHBondContact N-O 2.77Å; T28-S57 PolarHBondContact O-N 2.73Å; N30-S57 PolarHBondContact ND2-OG 2.7Å
58T89.9Confident93.2Very high50 Ų5053.6 Ų53.631%0.30728%0.28SS..EExtended strand (participates in β ladder)trans-142.8144.7176.5-175.80000111.7S26 F27 S60S26-T58 VanDerWaalsContact O-CA 3.26Å; S26-T58 WeakPolarHBondContact O-CA 3.42Å; S26-T58 PolarHBondContact O-OG1 3.08Å; F27-T58 HydrophobicContact CD1-CG2 4.46Å; F27-T58 WeakPolarHBondContact CD1-OG1 3.49Å; F27-T58 HydrophobicContact CE1-CG2 4.26Å; F27-T58 WeakPolarHBondContact CE1-OG1 3.14Å; F27-T58 WeakPolarHBondContact CZ-OG1 3.45Å; T58-S60 VanDerWaalsContact C-N 3.25Å; T58-S60 WeakPolarHBondContact OG1-CB 3.35Å; T58-S60 PolarHBondContact OG1-N 2.83Å
59T87.9Confident93.2Very high76 Ų7654.3 Ų54.347%0.46628%0.284SS..SBendtrans-84-5.1168.358.60000112.3S26S26-T59 PolarHBondContact N-OG1 2.72Å; S26-T59 PolarHBondContact O-N 2.68Å; S26-T59 VanDerWaalsContact O-N 3.1Å; S26-T59 WeakPolarHBondContact OG-CG2 2.89Å; S26-T59 PolarHBondContact OG-OG1 2.74Å; S26-T59 VanDerWaalsContact OG-OG1 3.13Å
60S84.3Confident93.2Very high15 Ų1552.8 Ų52.811%0.10527%0.274CS..  trans-75.2142.7177.3-173.50000111.8N25 T58 V62N25-S60 WeakPolarHBondContact OD1-CA 3.33Å; T58-S60 VanDerWaalsContact C-N 3.25Å; T58-S60 WeakPolarHBondContact OG1-CB 3.35Å; T58-S60 PolarHBondContact OG1-N 2.83Å; S60-V62 PolarHBondContact O-N 2.93Å; S60-V62 PolarHBondContact OG-N 2.85Å; S60-V62 PolarHBondContact OG-O 2.9Å
61H82.6Confident93.2Very high197 Ų19755.2 Ų55.291%0.91228%0.284SS*.SBendtrans-74.9-11.6166.7-59.6-60.1000113
62V84.4Confident93.2Very high104 Ų10455.4 Ų55.463%0.6328%0.284SS*.SBendtrans-98.7126179.4-1750000109.3S60S60-V62 PolarHBondContact O-N 2.93Å; S60-V62 PolarHBondContact OG-N 2.85Å; S60-V62 PolarHBondContact OG-O 2.9Å
63K84.1Confident93.2Very high162 Ų16259 Ų5970%0.70430%0.304SS*.PPolyproline II helixtrans-60.3129.3172.9-68.3-173.9178.5-176.40109.5M83K63-M83 HydrophobicContact CB-CE 4.07Å; K63-M83 WeakPolarHBondContact O-CE 3.25Å
64P89.3Confident93.3Very high17 Ų1761.3 Ų61.311%0.1132%0.319CS..PPolyproline II helixtrans-69.7152.5177.326.2-30.7000111.3F27 V56 H66 V108F27-P64 HydrophobicContact CD1-CB 3.91Å; F27-P64 HydrophobicContact CD1-CG 4.02Å; F27-P64 HydrophobicContact CE1-CB 3.71Å; F27-P64 HydrophobicContact CE1-CG 4.01Å; V56-P64 HydrophobicContact CG1-CG 4.18Å; P64-H66 PolarHBondContact O-CE1 3.16Å; P64-H66 VanDerWaalsContact O-CE1 3.23Å; P64-H66 PolarHBondContact O-ND1 3.19Å; P64-V108 HydrophobicContact CB-CG1 3.56Å; P64-V108 HydrophobicContact CG-CG1 4.04Å
65Q93.7Very high93.3Very high115 Ų11565.5 Ų65.554%0.53734%0.343SS..PPolyproline II helixtrans-78.6139.7160.2-170.8174.98.400108.7S81 M83Q65-S81 VanDerWaalsContact NE2-CB 3.27Å; Q65-M83 HydrophobicContact CB-SD 3.88Å; Q65-M83 HydrophobicContact CG-SD 4.24Å
66H95.9Very high93.5Very high9 Ų965.4 Ų65.44%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-112.6133.1178.4-51.377.6000107.9P64 M68 S81 S82 K84 V106 V108P64-H66 PolarHBondContact O-CE1 3.16Å; P64-H66 VanDerWaalsContact O-CE1 3.23Å; P64-H66 PolarHBondContact O-ND1 3.19Å; H66-M68 HydrophobicContact CB-CE 3.29Å; H66-M68 HydrophobicContact CB-SD 3.38Å; H66-M68 WeakPolarHBondContact CB-SD 3.04Å; H66-S81 CarbonylContact O-C 3.56Å; H66-S81 WeakPolarHBondContact O-CA 3.39Å; H66-S82 PolarHBondContact N-O 3.2Å; H66-S82 PolarHBondContact ND1-O 2.87Å; H66-S82 PolarHBondContact O-N 2.78Å; H66-K84 PolarHBondContact ND1-O 2.99Å; H66-V106 HydrophobicContact CB-CG1 4.44Å; H66-V108 HydrophobicContact CB-CG2 4.24Å; H66-V108 VanDerWaalsContact CD2-CG2 3.46Å; H66-V108 WeakPolarHBondContact CD2-CG2 3.42Å
67Q97.8Very high93.6Very high65 Ų6567 Ų6730%0.30435%0.347SS..EExtended strand (participates in β ladder)trans-104121.3167.7-178.3178.78.600108.6L69 N79 I80 V106 I107Q67-L69 HydrophobicContact CG-CD2 4.1Å; Q67-N79 PolarHBondContact NE2-ND2 2.72Å; Q67-N79 PolarHBondContact NE2-OD1 3.37Å; Q67-N79 VanDerWaalsContact NE2-OD1 3.11Å; Q67-I80 CarbonylContact C-O 3.57Å; Q67-I80 WeakPolarHBondContact CA-O 3.49Å; Q67-V106 CarbonylContact O-C 3.48Å; Q67-V106 WeakPolarHBondContact O-CA 3.49Å; Q67-I107 HydrophobicContact CB-CB 4.26Å; Q67-I107 PolarHBondContact N-O 3.46Å; Q67-I107 PolarHBondContact O-N 2.98Å
68M98.2Very high93.9Very high0 Ų067.6 Ų67.60%034%0.341CS..EExtended strand (participates in β ladder)trans-110.6122.4-178.9-68.967.4168.600109.4H66 F70 N79 I80 K84 E87 T105 V106H66-M68 HydrophobicContact CB-CE 3.29Å; H66-M68 HydrophobicContact CB-SD 3.38Å; H66-M68 WeakPolarHBondContact CB-SD 3.04Å; M68-F70 HydrophobicContact CB-CE2 3.93Å; M68-N79 WeakPolarHBondContact O-CA 3.39Å; M68-I80 HydrophobicContact CB-CG2 3.89Å; M68-I80 PolarHBondContact N-O 2.83Å; M68-I80 PolarHBondContact O-N 2.83Å; M68-K84 VanDerWaalsContact CE-O 3.3Å; M68-K84 WeakPolarHBondContact CE-O 3.37Å; M68-E87 HydrophobicContact CE-CG 4.29Å; M68-E87 HydrophobicContact CG-CB 4.3Å; M68-E87 HydrophobicContact CG-CG 4.44Å; M68-E87 HydrophobicContact SD-CG 4.24Å; M68-T105 WeakPolarHBondContact CA-O 3.29Å; M68-V106 HydrophobicContact CG-CG2 4.1Å
69L98.6Very high94.3Very high16 Ų1669 Ų698%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-113.6116.2-179-56-179.1000109Q67 Y71 L76 N79 C104 T105 I107Q67-L69 HydrophobicContact CG-CD2 4.1Å; L69-Y71 HydrophobicContact CB-CD2 4.43Å; L69-Y71 HydrophobicContact CB-CE2 3.52Å; L69-Y71 WeakPolarHBondContact CD1-OH 3.25Å; L69-Y71 WeakPolarHBondContact O-CD2 3.39Å; L69-L76 HydrophobicContact CB-CD1 3.82Å; L69-L76 HydrophobicContact CD2-CD1 4.15Å; L69-N79 HydrophobicContact CD2-CB 3.77Å; L69-N79 WeakPolarHBondContact CD2-OD1 3.44Å; L69-C104 CarbonylContact O-C 3.54Å; L69-C104 VanDerWaalsContact O-CA 3.28Å; L69-C104 WeakPolarHBondContact O-CA 3.39Å; L69-T105 PolarHBondContact N-O 2.88Å; L69-T105 PolarHBondContact O-N 2.97Å; L69-I107 HydrophobicContact CD1-CD1 3.77Å
70F98.8Very high94.8Very high0 Ų067.7 Ų67.70%034%0.336CS..EExtended strand (participates in β ladder)trans-101.7129.8178.7-64.9-112.2000110.5M34 C52 M68 L76 F77 Y78 I80M34-F70 HydrophobicContact CE-CD1 3.82Å; M34-F70 HydrophobicContact CE-CE1 4.1Å; C52-F70 HydrophobicContact CB-CE1 3.75Å; C52-F70 HydrophobicContact CB-CE2 4.29Å; C52-F70 HydrophobicContact CB-CZ 3.49Å; C52-F70 VanDerWaalsContact CB-CZ 3.49Å; M68-F70 HydrophobicContact CB-CE2 3.93Å; F70-L76 WeakPolarHBondContact O-CD1 3.36Å; F70-F77 HydrophobicContact CB-CD1 4.4Å; F70-F77 HydrophobicContact CB-CE1 3.71Å; F70-F77 HydrophobicContact CB-CE2 3.98Å; F70-F77 HydrophobicContact CB-CZ 3.47Å; F70-F77 VanDerWaalsContact CB-CZ 3.47Å; F70-F77 HydrophobicContact CD1-CZ 4.41Å; F70-F77 HydrophobicContact CG-CZ 4.33Å; F70-F77 WeakPolarHBondContact O-CD1 3.39Å; F70-F77 PolarHBondContact O-N 2.94Å; F70-Y78 AromaticContact CD2-CD1 3.6Å; F70-Y78 HydrophobicContact CD2-CD1 3.6Å; F70-Y78 HydrophobicContact CD2-CE1 4.45Å; F70-Y78 HydrophobicContact CD2-CG 4.45Å; F70-Y78 AromaticContact CE2-CD1 3.84Å; F70-Y78 HydrophobicContact CE2-CD1 3.84Å; F70-Y78 HydrophobicContact CE2-CE1 4.27Å; F70-Y78 HydrophobicContact CG-CD1 4.26Å; F70-Y78 PolarHBondContact N-O 2.99Å; F70-Y78 PolarHBondContact O-N 2.95Å; F70-I80 HydrophobicContact CE2-CG2 4.43Å
71Y98.8Very high95.4Very high52 Ų5269.6 Ų69.620%0.20435%0.35CS..EExtended strand (participates in β ladder)trans-117.2142.4-178.2-61.8-97000110.4L69 V75 L76 F77 Y102 K103L69-Y71 HydrophobicContact CB-CD2 4.43Å; L69-Y71 HydrophobicContact CB-CE2 3.52Å; L69-Y71 WeakPolarHBondContact CD1-OH 3.25Å; L69-Y71 WeakPolarHBondContact O-CD2 3.39Å; Y71-V75 VanDerWaalsContact CA-O 3.3Å; Y71-V75 WeakPolarHBondContact CA-O 3.42Å; Y71-L76 HydrophobicContact CD1-CB 4Å; Y71-L76 HydrophobicContact CE1-CB 3.71Å; Y71-L76 HydrophobicContact CE1-CD1 4.17Å; Y71-L76 HydrophobicContact CE1-CG 4.5Å; Y71-L76 HydrophobicContact CE2-CD1 4.26Å; Y71-F77 VanDerWaalsContact C-CE1 3.44Å; Y71-Y102 WeakPolarHBondContact O-CA 3.46Å; Y71-K103 HydrophobicContact CD2-CG 4.36Å; Y71-K103 HydrophobicContact CG-CG 4.4Å; Y71-K103 PolarHBondContact N-O 3.11Å; Y71-K103 PolarHBondContact O-N 2.78Å; Y71-K103 VanDerWaalsContact O-N 3.13Å
72K98.6Very high96Very high44 Ų4461.2 Ų61.219%0.19131%0.313CS..EExtended strand (participates in β ladder)trans-125.3121.3168.8-175.3-165.8-170.7-122.30106.9D74 V75 F77 Y97 D98 S99 T101 Y102K72-D74 PolarHBondContact O-N 3.26Å; K72-V75 PolarHBondContact N-O 3.15Å; K72-V75 WeakPolarHBondContact O-CB 3.3Å; K72-V75 PolarHBondContact O-N 2.81Å; K72-F77 HydrophobicContact CB-CD1 3.63Å; K72-F77 HydrophobicContact CB-CE1 3.87Å; K72-Y97 PolarHBondContact NZ-O 2.91Å; K72-D98 VanDerWaalsContact CE-O 3.25Å; K72-D98 WeakPolarHBondContact CE-O 3.23Å; K72-S99 WeakPolarHBondContact CE-O 3.19Å; K72-S99 PolarHBondContact NZ-O 2.82Å; K72-T101 CarbonylContact C-O 3.56Å; K72-T101 WeakPolarHBondContact CA-O 3.19Å; K72-Y102 HydrophobicContact CB-CD1 4.2Å; K72-Y102 HydrophobicContact CB-CE1 3.81Å; K72-Y102 HydrophobicContact CD-CE1 4.3Å; K72-Y102 HydrophobicContact CD-CE2 4.3Å; K72-Y102 WeakPolarHBondContact CD-OH 3.39Å; K72-Y102 WeakPolarHBondContact CE-OH 3.46Å; K72-Y102 HydrophobicContact CG-CD1 4.43Å; K72-Y102 HydrophobicContact CG-CD2 4.46Å; K72-Y102 HydrophobicContact CG-CE1 3.87Å; K72-Y102 HydrophobicContact CG-CE2 3.89Å
73D98.3Very high96.5Very high76 Ų7661.4 Ų61.441%0.40631%0.308SS..THydrogen-bonded Turntrans50.847.3-179.2-51.1-46.1000110.9V75 G100 T101D73-V75 PolarHBondContact O-N 2.94Å; D73-V75 VanDerWaalsContact O-N 3.08Å; D73-G100 WeakPolarHBondContact OD1-CA 3.46Å; D73-T101 PolarHBondContact N-O 3.45Å; D73-T101 PolarHBondContact OD1-N 2.62Å
74D98.2Very high97Very high111 Ų11160.2 Ų60.259%0.59430%0.303SS*.THydrogen-bonded Turntrans63.23.2-175.2-63.7-51.9000116.9K72 K103K72-D74 PolarHBondContact O-N 3.26Å; D74-K103 WeakPolarHBondContact OD1-CE 3.24Å; D74-K103 IonicContact OD1-NZ 2.83Å; D74-K103 PolarHBondContact OD1-NZ 2.85Å
75V98.4Very high97.2Very high98 Ų9862 Ų6259%0.59432%0.316SS*.EExtended strand (participates in β ladder)trans-96.1122.7176.3-176.50000110.4Y71 K72 D73 F77Y71-V75 VanDerWaalsContact CA-O 3.3Å; Y71-V75 WeakPolarHBondContact CA-O 3.42Å; K72-V75 PolarHBondContact N-O 3.15Å; K72-V75 WeakPolarHBondContact O-CB 3.3Å; K72-V75 PolarHBondContact O-N 2.81Å; D73-V75 PolarHBondContact O-N 2.94Å; D73-V75 VanDerWaalsContact O-N 3.08Å; V75-F77 PolarHBondContact O-N 3.08Å
76L98.5Very high97.4Very high78 Ų7858.5 Ų58.541%0.40830%0.303SS..EExtended strand (participates in β ladder)trans-63.3117.117317966.1000109.6L69 F70 Y71 Y78L69-L76 HydrophobicContact CB-CD1 3.82Å; L69-L76 HydrophobicContact CD2-CD1 4.15Å; F70-L76 WeakPolarHBondContact O-CD1 3.36Å; Y71-L76 HydrophobicContact CD1-CB 4Å; Y71-L76 HydrophobicContact CE1-CB 3.71Å; Y71-L76 HydrophobicContact CE1-CD1 4.17Å; Y71-L76 HydrophobicContact CE1-CG 4.5Å; Y71-L76 HydrophobicContact CE2-CD1 4.26Å; L76-Y78 WeakPolarHBondContact CD1-O 3.4Å
77F98.1Very high97.5Very high65 Ų6559.5 Ų59.529%0.28531%0.307SS..EExtended strand (participates in β ladder)trans-115-17.4178.472.4-94.9000113.3L50 F70 Y71 K72 V75 Y89 Y102L50-F77 HydrophobicContact CD1-CZ 4.29Å; F70-F77 HydrophobicContact CB-CD1 4.4Å; F70-F77 HydrophobicContact CB-CE1 3.71Å; F70-F77 HydrophobicContact CB-CE2 3.98Å; F70-F77 HydrophobicContact CB-CZ 3.47Å; F70-F77 VanDerWaalsContact CB-CZ 3.47Å; F70-F77 HydrophobicContact CD1-CZ 4.41Å; F70-F77 HydrophobicContact CG-CZ 4.33Å; F70-F77 WeakPolarHBondContact O-CD1 3.39Å; F70-F77 PolarHBondContact O-N 2.94Å; Y71-F77 VanDerWaalsContact C-CE1 3.44Å; K72-F77 HydrophobicContact CB-CD1 3.63Å; K72-F77 HydrophobicContact CB-CE1 3.87Å; V75-F77 PolarHBondContact O-N 3.08Å; F77-Y89 HydrophobicContact CD2-CD1 4.41Å; F77-Y89 AromaticContact CD2-CE1 4Å; F77-Y89 HydrophobicContact CD2-CE1 4Å; F77-Y89 HydrophobicContact CD2-CE2 4.27Å; F77-Y89 AromaticContact CD2-CZ 3.93Å; F77-Y89 AromaticContact CE2-CD1 3.5Å; F77-Y89 HydrophobicContact CE2-CD1 3.5Å; F77-Y89 HydrophobicContact CE2-CD2 4.1Å; F77-Y89 AromaticContact CE2-CE1 3.49Å; F77-Y89 HydrophobicContact CE2-CE1 3.49Å; F77-Y89 VanDerWaalsContact CE2-CE1 3.49Å; F77-Y89 HydrophobicContact CE2-CE2 4.12Å; F77-Y89 AromaticContact CE2-CG 3.79Å; F77-Y89 HydrophobicContact CE2-CG 3.79Å; F77-Y89 AromaticContact CE2-CZ 3.83Å; F77-Y89 HydrophobicContact CZ-CD1 4.25Å; F77-Y89 HydrophobicContact CZ-CE1 4.47Å; F77-Y102 AromaticContact CE1-CD1 3.72Å; F77-Y102 HydrophobicContact CE1-CD1 3.72Å; F77-Y102 AromaticContact CE1-CE1 3.61Å; F77-Y102 HydrophobicContact CE1-CE1 3.61Å; F77-Y102 AromaticContact CZ-CD1 3.98Å; F77-Y102 HydrophobicContact CZ-CD1 3.98Å; F77-Y102 AromaticContact CZ-CE1 3.75Å; F77-Y102 HydrophobicContact CZ-CE1 3.75Å
78Y98.4Very high97.5Very high69 Ų6958.6 Ų58.627%0.27131%0.308SS..EExtended strand (participates in β ladder)trans-147.8132.5177.9-173.3-120.4000111.5F70 L76 I80 Y89F70-Y78 AromaticContact CD2-CD1 3.6Å; F70-Y78 HydrophobicContact CD2-CD1 3.6Å; F70-Y78 HydrophobicContact CD2-CE1 4.45Å; F70-Y78 HydrophobicContact CD2-CG 4.45Å; F70-Y78 AromaticContact CE2-CD1 3.84Å; F70-Y78 HydrophobicContact CE2-CD1 3.84Å; F70-Y78 HydrophobicContact CE2-CE1 4.27Å; F70-Y78 HydrophobicContact CG-CD1 4.26Å; F70-Y78 PolarHBondContact N-O 2.99Å; F70-Y78 PolarHBondContact O-N 2.95Å; L76-Y78 WeakPolarHBondContact CD1-O 3.4Å; Y78-I80 HydrophobicContact CD1-CG2 4.35Å; Y78-I80 HydrophobicContact CE1-CB 3.95Å; Y78-I80 HydrophobicContact CE1-CG2 3.72Å; Y78-Y89 AromaticContact CD1-CD2 3.68Å; Y78-Y89 HydrophobicContact CD1-CD2 3.68Å; Y78-Y89 HydrophobicContact CD1-CG 4.3Å; Y78-Y89 AromaticContact CD2-CD2 3.82Å; Y78-Y89 HydrophobicContact CD2-CD2 3.82Å; Y78-Y89 AromaticContact CD2-CE2 3.96Å; Y78-Y89 HydrophobicContact CD2-CE2 3.96Å; Y78-Y89 HydrophobicContact CE1-CD2 4.11Å; Y78-Y89 HydrophobicContact CE2-CD2 4.24Å; Y78-Y89 AromaticContact CG-CD2 3.53Å; Y78-Y89 HydrophobicContact CG-CD2 3.53Å; Y78-Y89 AromaticContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CG 4.43Å
79N98.2Very high97.5Very high79 Ų7962.1 Ų62.142%0.42232%0.322SS..EExtended strand (participates in β ladder)trans-134.8122.6-179.51748.7000108.1Q67 M68 L69Q67-N79 PolarHBondContact NE2-ND2 2.72Å; Q67-N79 PolarHBondContact NE2-OD1 3.37Å; Q67-N79 VanDerWaalsContact NE2-OD1 3.11Å; M68-N79 WeakPolarHBondContact O-CA 3.39Å; L69-N79 HydrophobicContact CD2-CB 3.77Å; L69-N79 WeakPolarHBondContact CD2-OD1 3.44Å
80I97.9Very high97.5Very high49 Ų4966.5 Ų66.525%0.25134%0.34SS..EExtended strand (participates in β ladder)trans-139.9140.8-177.8-174.161.8000110.3Q67 M68 F70 Y78 E87Q67-I80 CarbonylContact C-O 3.57Å; Q67-I80 WeakPolarHBondContact CA-O 3.49Å; M68-I80 HydrophobicContact CB-CG2 3.89Å; M68-I80 PolarHBondContact N-O 2.83Å; M68-I80 PolarHBondContact O-N 2.83Å; F70-I80 HydrophobicContact CE2-CG2 4.43Å; Y78-I80 HydrophobicContact CD1-CG2 4.35Å; Y78-I80 HydrophobicContact CE1-CB 3.95Å; Y78-I80 HydrophobicContact CE1-CG2 3.72Å; I80-E87 HydrophobicContact CG2-CB 3.99Å; I80-E87 HydrophobicContact CG2-CG 3.98Å
81S97.1Very high97.5Very high56 Ų5667.1 Ų67.139%0.39234%0.344SS..EExtended strand (participates in β ladder)trans-115.8127.9172.5-55.10000110.3Q65 H66Q65-S81 VanDerWaalsContact NE2-CB 3.27Å; H66-S81 CarbonylContact O-C 3.56Å; H66-S81 WeakPolarHBondContact O-CA 3.39Å
82S95Very high97.4Very high20 Ų2068.5 Ų68.514%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-146.7154.7-172-176.30000112.4H66 K84 E87H66-S82 PolarHBondContact N-O 3.2Å; H66-S82 PolarHBondContact ND1-O 2.87Å; H66-S82 PolarHBondContact O-N 2.78Å; S82-K84 PolarHBondContact OG-N 2.92Å; S82-K84 VanDerWaalsContact OG-N 3.13Å; S82-E87 WeakPolarHBondContact CB-OE1 3.46Å; S82-E87 PolarHBondContact OG-OE1 3.23Å
83M94Very high97.3Very high108 Ų10871.8 Ų71.853%0.53238%0.375SS..SBendtrans-78.8-11.1170.5-59.6-56.3-65.200112.3K63 Q65K63-M83 HydrophobicContact CB-CE 4.07Å; K63-M83 WeakPolarHBondContact O-CE 3.25Å; Q65-M83 HydrophobicContact CB-SD 3.88Å; Q65-M83 HydrophobicContact CG-SD 4.24Å
84K94.5Very high97.2Very high138 Ų13868.2 Ų68.260%0.636%0.356SS*.SBendtrans-80.3145175-59.8177.2-174.81710109.2H66 M68 S82 T86H66-K84 PolarHBondContact ND1-O 2.99Å; M68-K84 VanDerWaalsContact CE-O 3.3Å; M68-K84 WeakPolarHBondContact CE-O 3.37Å; S82-K84 PolarHBondContact OG-N 2.92Å; S82-K84 VanDerWaalsContact OG-N 3.13Å; K84-T86 WeakPolarHBondContact CB-O 3.32Å; K84-T86 PolarHBondContact O-N 2.86Å
85S94.7Very high97.1Very high54 Ų5464.1 Ų64.138%0.37833%0.332SS..SBendtrans-82.88.217160.40000112.8A54A54-S85 PolarHBondContact N-O 2.86Å; A54-S85 WeakPolarHBondContact O-CB 3.4Å
86T97.1Very high96.9Very high42 Ų4262.8 Ų62.826%0.25832%0.321SS..EExtended strand (participates in β ladder)trans-142.8130.1-179.8-56.70000109.7C52 F53 K84C52-T86 VanDerWaalsContact O-CA 3.25Å; C52-T86 WeakPolarHBondContact O-CA 3.48Å; F53-T86 HydrophobicContact CD1-CG2 3.35Å; F53-T86 WeakPolarHBondContact CD1-OG1 3.33Å; F53-T86 HydrophobicContact CE1-CG2 3.33Å; F53-T86 HydrophobicContact CG-CG2 4.1Å; F53-T86 HydrophobicContact CZ-CG2 4.07Å; K84-T86 WeakPolarHBondContact CB-O 3.32Å; K84-T86 PolarHBondContact O-N 2.86Å
87E98.1Very high96.7Very high30 Ų3063.2 Ų63.214%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-132.8156.1173.8-73.2-58.1155.300111Q51 C52 M68 I80 S82Q51-E87 WeakPolarHBondContact CA-O 3.45Å; C52-E87 PolarHBondContact N-O 2.81Å; C52-E87 PolarHBondContact O-N 2.8Å; M68-E87 HydrophobicContact CE-CG 4.29Å; M68-E87 HydrophobicContact CG-CB 4.3Å; M68-E87 HydrophobicContact CG-CG 4.44Å; M68-E87 HydrophobicContact SD-CG 4.24Å; I80-E87 HydrophobicContact CG2-CB 3.99Å; I80-E87 HydrophobicContact CG2-CG 3.98Å; S82-E87 WeakPolarHBondContact CB-OE1 3.46Å; S82-E87 PolarHBondContact OG-OE1 3.23Å
88S98.1Very high96.6Very high46 Ų4661.5 Ų61.532%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-132.7140.3-174.1-57.80000111.7L50 Q51L50-S88 CarbonylContact O-C 3.58Å; L50-S88 VanDerWaalsContact O-CA 3.23Å; L50-S88 WeakPolarHBondContact O-CA 3.12Å; Q51-S88 WeakPolarHBondContact CG-OG 3.37Å; Q51-S88 PolarHBondContact NE2-OG 2.85Å; Q51-S88 VanDerWaalsContact NE2-OG 3.15Å
89Y98.5Very high96.6Very high74 Ų7459.5 Ų59.529%0.2931%0.307SS..EExtended strand (participates in β ladder)trans-114.3126.2171.5-175.4-100.4000109.8T49 L50 F77 Y78 I91T49-Y89 WeakPolarHBondContact CA-O 3.48Å; L50-Y89 PolarHBondContact N-O 3.43Å; L50-Y89 PolarHBondContact O-N 2.99Å; F77-Y89 HydrophobicContact CD2-CD1 4.41Å; F77-Y89 AromaticContact CD2-CE1 4Å; F77-Y89 HydrophobicContact CD2-CE1 4Å; F77-Y89 HydrophobicContact CD2-CE2 4.27Å; F77-Y89 AromaticContact CD2-CZ 3.93Å; F77-Y89 AromaticContact CE2-CD1 3.5Å; F77-Y89 HydrophobicContact CE2-CD1 3.5Å; F77-Y89 HydrophobicContact CE2-CD2 4.1Å; F77-Y89 AromaticContact CE2-CE1 3.49Å; F77-Y89 HydrophobicContact CE2-CE1 3.49Å; F77-Y89 VanDerWaalsContact CE2-CE1 3.49Å; F77-Y89 HydrophobicContact CE2-CE2 4.12Å; F77-Y89 AromaticContact CE2-CG 3.79Å; F77-Y89 HydrophobicContact CE2-CG 3.79Å; F77-Y89 AromaticContact CE2-CZ 3.83Å; F77-Y89 HydrophobicContact CZ-CD1 4.25Å; F77-Y89 HydrophobicContact CZ-CE1 4.47Å; Y78-Y89 AromaticContact CD1-CD2 3.68Å; Y78-Y89 HydrophobicContact CD1-CD2 3.68Å; Y78-Y89 HydrophobicContact CD1-CG 4.3Å; Y78-Y89 AromaticContact CD2-CD2 3.82Å; Y78-Y89 HydrophobicContact CD2-CD2 3.82Å; Y78-Y89 AromaticContact CD2-CE2 3.96Å; Y78-Y89 HydrophobicContact CD2-CE2 3.96Å; Y78-Y89 HydrophobicContact CE1-CD2 4.11Å; Y78-Y89 HydrophobicContact CE2-CD2 4.24Å; Y78-Y89 AromaticContact CG-CD2 3.53Å; Y78-Y89 HydrophobicContact CG-CD2 3.53Å; Y78-Y89 AromaticContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CG 4.43Å; Y89-I91 HydrophobicContact CD1-CD1 4.2Å; Y89-I91 HydrophobicContact CD1-CG1 3.7Å; Y89-I91 HydrophobicContact CE1-CD1 4.09Å; Y89-I91 HydrophobicContact CE1-CG1 3.47Å; Y89-I91 VanDerWaalsContact CE1-CG1 3.47Å
90F98.4Very high96.6Very high107 Ų10756 Ų5647%0.46929%0.29SS..EExtended strand (participates in β ladder)trans-104.7123.3-176.3179.8-110.7000110.7N47 P92N47-F90 HydrophobicContact CB-CE2 3.69Å; N47-F90 HydrophobicContact CB-CZ 3.83Å; F90-P92 HydrophobicContact CD1-CB 4.48Å; F90-P92 HydrophobicContact CE1-CB 3.82Å; F90-P92 HydrophobicContact CE1-CG 4.41Å; F90-P92 HydrophobicContact CZ-CB 4.39Å; F90-P92 WeakPolarHBondContact O-CD 3.47Å
91I98.1Very high96.6Very high14 Ų1455.6 Ų55.67%0.07229%0.29CS..EExtended strand (participates in β ladder)trans-106.9103.1174.3-57167.9000107.4L48 L50 Y89 V94L48-I91 HydrophobicContact CB-CB 4.36Å; L48-I91 HydrophobicContact CD2-CD1 4.08Å; L48-I91 HydrophobicContact CG-CD1 4.5Å; L48-I91 PolarHBondContact N-O 2.98Å; L48-I91 PolarHBondContact O-N 2.73Å; L50-I91 HydrophobicContact CD1-CD1 4.19Å; Y89-I91 HydrophobicContact CD1-CD1 4.2Å; Y89-I91 HydrophobicContact CD1-CG1 3.7Å; Y89-I91 HydrophobicContact CE1-CD1 4.09Å; Y89-I91 HydrophobicContact CE1-CG1 3.47Å; Y89-I91 VanDerWaalsContact CE1-CG1 3.47Å; I91-V94 HydrophobicContact CG2-CB 4.34Å; I91-V94 HydrophobicContact CG2-CG2 4.15Å
92P97.3Very high96.7Very high81 Ų8153.1 Ų53.153%0.52627%0.272SS..SBendtrans-70.2141.4172.329-32.1000109.9F90 V94F90-P92 HydrophobicContact CD1-CB 4.48Å; F90-P92 HydrophobicContact CE1-CB 3.82Å; F90-P92 HydrophobicContact CE1-CG 4.41Å; F90-P92 HydrophobicContact CZ-CB 4.39Å; F90-P92 WeakPolarHBondContact O-CD 3.47Å; P92-V94 PolarHBondContact O-N 3.43Å
93E96.2Very high96.9Very high113 Ų11354 Ų5453%0.52827%0.273SS..SBendtrans44.864.1173.7-60.1-174.7-165.700114.7K46 N47 R95K46-E93 CarbonylContact O-C 3.53Å; K46-E93 WeakPolarHBondContact O-CA 3.38Å; N47-E93 PolarHBondContact OD1-N 2.85Å; N47-E93 VanDerWaalsContact OD1-N 3.14Å; E93-R95 WeakPolarHBondContact O-CG 3.38Å; E93-R95 PolarHBondContact O-NE 3.38Å; E93-R95 VanDerWaalsContact O-NE 3.11Å; E93-R95 IonicContact OE2-NH2 3.64Å; E93-R95 PolarHBondContact OE2-NH2 2.86Å
94V97.1Very high97.1Very high0 Ų048.9 Ų48.90%025%0.248CC..  trans-55.7138.8-175.980.10000112.5V42 G45 K46 L48 I91 P92 D98 V122V42-V94 HydrophobicContact CB-CG1 4.26Å; V42-V94 HydrophobicContact CG1-CG1 3.82Å; G45-V94 PolarHBondContact N-O 2.81Å; K46-V94 WeakPolarHBondContact O-CB 3.5Å; K46-V94 WeakPolarHBondContact O-CG1 3.33Å; K46-V94 PolarHBondContact O-N 2.79Å; L48-V94 HydrophobicContact CB-CB 4.38Å; L48-V94 HydrophobicContact CB-CG2 4.41Å; L48-V94 HydrophobicContact CD2-CG2 4.15Å; I91-V94 HydrophobicContact CG2-CB 4.34Å; I91-V94 HydrophobicContact CG2-CG2 4.15Å; P92-V94 PolarHBondContact O-N 3.43Å; V94-D98 HydrophobicContact CG2-CB 3.56Å; V94-V122 HydrophobicContact CB-CG2 4.42Å; V94-V122 HydrophobicContact CG1-CG1 3.94Å; V94-V122 HydrophobicContact CG1-CG2 4.01Å; V94-V122 HydrophobicContact CG2-CG2 3.57Å
95R95.9Very high97.3Very high25 Ų2542.8 Ų42.89%0.09422%0.223CC..  trans-119.9169.6-178.1-57.2-57.2170.8176.44111.9N44 E93 Y97 D98 V122N44-R95 PolarHBondContact OD1-NH1 3.14Å; E93-R95 WeakPolarHBondContact O-CG 3.38Å; E93-R95 PolarHBondContact O-NE 3.38Å; E93-R95 VanDerWaalsContact O-NE 3.11Å; E93-R95 IonicContact OE2-NH2 3.64Å; E93-R95 PolarHBondContact OE2-NH2 2.86Å; R95-Y97 HydrophobicContact CB-CD1 3.71Å; R95-Y97 HydrophobicContact CB-CD2 4.37Å; R95-Y97 HydrophobicContact CB-CE1 3.32Å; R95-Y97 HydrophobicContact CB-CE2 4Å; R95-Y97 HydrophobicContact CB-CG 4.23Å; R95-Y97 VanDerWaalsContact CB-CZ 3.47Å; R95-Y97 HydrophobicContact CG-CE1 3.67Å; R95-Y97 HydrophobicContact CG-CE2 4.43Å; R95-Y97 WeakPolarHBondContact CG-OH 3.29Å; R95-Y97 PolarHBondContact O-N 2.87Å; R95-D98 PolarHBondContact N-OD2 2.82Å; R95-D98 WeakPolarHBondContact O-CB 3.48Å; R95-D98 PolarHBondContact O-N 2.9Å; R95-V122 WeakPolarHBondContact O-CG2 3.28Å
96I94.2Very high97.4Very high70 Ų7040.2 Ų40.236%0.35921%0.205SC..G310 helixtrans-57.8-38.5-177.1-64.5172.1000111D98 S99 V125 E152I96-D98 PolarHBondContact O-N 2.88Å; I96-S99 VanDerWaalsContact O-CB 3.23Å; I96-S99 WeakPolarHBondContact O-CB 3.28Å; I96-S99 PolarHBondContact O-N 2.79Å; I96-S99 PolarHBondContact O-OG 3.14Å; I96-V125 HydrophobicContact CD1-CB 4.45Å; I96-V125 HydrophobicContact CD1-CG2 3.81Å; I96-E152 PolarHBondContact N-OE1 3.13Å; I96-E152 VanDerWaalsContact N-OE1 3.16Å
97Y93.4Very high97.5Very high87 Ų8740 Ų4034%0.34120%0.202SC..G310 helixtrans-67.6-11.9178.261.7-108000114.7K72 R95 S99 K153K72-Y97 PolarHBondContact NZ-O 2.91Å; R95-Y97 HydrophobicContact CB-CD1 3.71Å; R95-Y97 HydrophobicContact CB-CD2 4.37Å; R95-Y97 HydrophobicContact CB-CE1 3.32Å; R95-Y97 HydrophobicContact CB-CE2 4Å; R95-Y97 HydrophobicContact CB-CG 4.23Å; R95-Y97 VanDerWaalsContact CB-CZ 3.47Å; R95-Y97 HydrophobicContact CG-CE1 3.67Å; R95-Y97 HydrophobicContact CG-CE2 4.43Å; R95-Y97 WeakPolarHBondContact CG-OH 3.29Å; R95-Y97 PolarHBondContact O-N 2.87Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; Y97-K153 HydrophobicContact CD1-CB 4.06Å; Y97-K153 HydrophobicContact CD1-CD 3.66Å; Y97-K153 HydrophobicContact CD1-CG 3.71Å; Y97-K153 HydrophobicContact CD2-CD 4.45Å; Y97-K153 HydrophobicContact CE1-CD 3.93Å; Y97-K153 HydrophobicContact CE1-CG 3.89Å; Y97-K153 HydrophobicContact CG-CD 3.94Å; Y97-K153 HydrophobicContact CG-CG 4.46Å
98D96.7Very high97.3Very high30 Ų3038.7 Ų38.716%0.1620%0.195CC..G310 helixtrans-84.3-10.7171.9-60.5-46.6000111.8K72 V94 R95 I96 Y102K72-D98 VanDerWaalsContact CE-O 3.25Å; K72-D98 WeakPolarHBondContact CE-O 3.23Å; V94-D98 HydrophobicContact CG2-CB 3.56Å; R95-D98 PolarHBondContact N-OD2 2.82Å; R95-D98 WeakPolarHBondContact O-CB 3.48Å; R95-D98 PolarHBondContact O-N 2.9Å; I96-D98 PolarHBondContact O-N 2.88Å; D98-Y102 WeakPolarHBondContact O-CE2 3.45Å; D98-Y102 PolarHBondContact O-OH 3.01Å
99S97.5Very high96.9Very high26 Ų2640.7 Ų40.718%0.18220%0.203CC..  trans-61.7145.8168.5-53.10000110.3K72 I96 Y97 V120 V122K72-S99 WeakPolarHBondContact CE-O 3.19Å; K72-S99 PolarHBondContact NZ-O 2.82Å; I96-S99 VanDerWaalsContact O-CB 3.23Å; I96-S99 WeakPolarHBondContact O-CB 3.28Å; I96-S99 PolarHBondContact O-N 2.79Å; I96-S99 PolarHBondContact O-OG 3.14Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; S99-V120 WeakPolarHBondContact CA-O 2.97Å; S99-V120 WeakPolarHBondContact CB-O 3.2Å; S99-V122 WeakPolarHBondContact OG-CB 3.38Å; S99-V122 PolarHBondContact OG-N 2.81Å
100G98.1Very high96.5Very high6 Ų645.1 Ų45.16%0.06223%0.231CC..EExtended strand (participates in β ladder)trans161.3-176.1-179.700000112.7D73 Y102 Q119 V120D73-G100 WeakPolarHBondContact OD1-CA 3.46Å; G100-Y102 WeakPolarHBondContact O-CD2 3.3Å; G100-Q119 VanDerWaalsContact C-NE2 3.33Å; G100-Q119 PolarHBondContact O-NE2 3.04Å; G100-Q119 VanDerWaalsContact O-NE2 3.08Å; G100-V120 PolarHBondContact N-O 2.79Å; G100-V120 VanDerWaalsContact N-O 3.15Å; G100-V120 PolarHBondContact O-N 3.11Å
101T98.7Very high96.2Very high40 Ų4045 Ų4525%0.24523%0.23CC..EExtended strand (participates in β ladder)trans-92.9119178.9-54.80000109.6K72 D73 E117K72-T101 CarbonylContact C-O 3.56Å; K72-T101 WeakPolarHBondContact CA-O 3.19Å; D73-T101 PolarHBondContact N-O 3.45Å; D73-T101 PolarHBondContact OD1-N 2.62Å; T101-E117 HydrophobicContact CG2-CB 3.66Å; T101-E117 HydrophobicContact CG2-CG 3.87Å
102Y98.8Very high96.2Very high5 Ų551 Ų512%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-109141.2-177.6-74.5-96.1000111.6L50 Y71 K72 F77 D98 G100 Y118 V120L50-Y102 HydrophobicContact CD1-CD1 3.41Å; L50-Y102 VanDerWaalsContact CD1-CD1 3.41Å; L50-Y102 HydrophobicContact CD1-CE1 3.43Å; L50-Y102 VanDerWaalsContact CD1-CE1 3.43Å; L50-Y102 HydrophobicContact CD1-CG 4.14Å; Y71-Y102 WeakPolarHBondContact O-CA 3.46Å; K72-Y102 HydrophobicContact CB-CD1 4.2Å; K72-Y102 HydrophobicContact CB-CE1 3.81Å; K72-Y102 HydrophobicContact CD-CE1 4.3Å; K72-Y102 HydrophobicContact CD-CE2 4.3Å; K72-Y102 WeakPolarHBondContact CD-OH 3.39Å; K72-Y102 WeakPolarHBondContact CE-OH 3.46Å; K72-Y102 HydrophobicContact CG-CD1 4.43Å; K72-Y102 HydrophobicContact CG-CD2 4.46Å; K72-Y102 HydrophobicContact CG-CE1 3.87Å; K72-Y102 HydrophobicContact CG-CE2 3.89Å; F77-Y102 AromaticContact CE1-CD1 3.72Å; F77-Y102 HydrophobicContact CE1-CD1 3.72Å; F77-Y102 AromaticContact CE1-CE1 3.61Å; F77-Y102 HydrophobicContact CE1-CE1 3.61Å; F77-Y102 AromaticContact CZ-CD1 3.98Å; F77-Y102 HydrophobicContact CZ-CD1 3.98Å; F77-Y102 AromaticContact CZ-CE1 3.75Å; F77-Y102 HydrophobicContact CZ-CE1 3.75Å; D98-Y102 WeakPolarHBondContact O-CE2 3.45Å; D98-Y102 PolarHBondContact O-OH 3.01Å; G100-Y102 WeakPolarHBondContact O-CD2 3.3Å; Y102-Y118 PolarHBondContact N-O 2.9Å; Y102-Y118 PolarHBondContact O-N 2.83Å; Y102-V120 HydrophobicContact CD2-CB 3.78Å; Y102-V120 HydrophobicContact CD2-CG2 3.41Å; Y102-V120 VanDerWaalsContact CD2-CG2 3.41Å; Y102-V120 HydrophobicContact CE2-CB 3.7Å; Y102-V120 HydrophobicContact CE2-CG1 4.43Å; Y102-V120 HydrophobicContact CE2-CG2 3.68Å; Y102-V120 HydrophobicContact CG-CG2 4.16Å
103K98.7Very high96.2Very high38 Ų3851.1 Ų51.117%0.16525%0.251CS..EExtended strand (participates in β ladder)trans-148.1158.2168.860.9-173.9166.2-155.40111.8Y71 D74 T114 T115 E117Y71-K103 HydrophobicContact CD2-CG 4.36Å; Y71-K103 HydrophobicContact CG-CG 4.4Å; Y71-K103 PolarHBondContact N-O 3.11Å; Y71-K103 PolarHBondContact O-N 2.78Å; Y71-K103 VanDerWaalsContact O-N 3.13Å; D74-K103 WeakPolarHBondContact OD1-CE 3.24Å; D74-K103 IonicContact OD1-NZ 2.83Å; D74-K103 PolarHBondContact OD1-NZ 2.85Å; K103-T114 HydrophobicContact CB-CG2 4.34Å; K103-T114 HydrophobicContact CD-CG2 3.96Å; K103-T114 HydrophobicContact CG-CG2 4.34Å; K103-T115 WeakPolarHBondContact CA-OG1 3.34Å; K103-E117 HydrophobicContact CD-CG 4.16Å; K103-E117 IonicContact NZ-OE1 2.62Å; K103-E117 PolarHBondContact NZ-OE1 2.92Å
104C98.7Very high96.3Very high0 Ų048.8 Ų48.80%024%0.244CC..EExtended strand (participates in β ladder)trans-121.7136.2176.3179.90000110.2M34 C52 L69 T114 T115M34-C104 HydrophobicContact SD-CB 4.29Å; C52-C104 HydrophobicContact CB-CB 3.71Å; C52-C104 WeakPolarHBondContact CB-SG 3.48Å; C52-C104 WeakPolarHBondContact SG-CB 3.21Å; C52-C104 CovalentContact SG-SG 2.03Å; C52-C104 PolarHBondContact SG-SG 2.81Å; L69-C104 CarbonylContact O-C 3.54Å; L69-C104 VanDerWaalsContact O-CA 3.28Å; L69-C104 WeakPolarHBondContact O-CA 3.39Å; C104-T114 CarbonylContact O-C 3.56Å; C104-T114 WeakPolarHBondContact O-CA 3.38Å; C104-T115 HydrophobicContact CB-CG2 3.92Å; C104-T115 PolarHBondContact N-OG1 3.18Å; C104-T115 WeakPolarHBondContact O-CG2 3.43Å; C104-T115 PolarHBondContact O-N 2.83Å; C104-T115 PolarHBondContact O-OG1 3.26Å
105T98.6Very high96.4Very high11 Ų1149.4 Ų49.47%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-112.4130.4169.6-57.70000109.1M68 L69 I107 E112 T114M68-T105 WeakPolarHBondContact CA-O 3.29Å; L69-T105 PolarHBondContact N-O 2.88Å; L69-T105 PolarHBondContact O-N 2.97Å; T105-I107 HydrophobicContact CG2-CG1 4.3Å; T105-E112 HydrophobicContact CG2-CB 4.26Å; T105-T114 WeakPolarHBondContact OG1-CG2 3.44Å; T105-T114 PolarHBondContact OG1-OG1 2.78Å
106V98.3Very high96.5Very high0 Ų051.3 Ų51.30%027%0.269CS..EExtended strand (participates in β ladder)trans-111.6127.2176.9-1790000109.1I29 V32 A54 H66 Q67 M68 V108 E112 K113I29-V106 WeakPolarHBondContact CD1-O 3.26Å; V32-V106 HydrophobicContact CG1-CB 4.3Å; V32-V106 HydrophobicContact CG1-CG2 3.53Å; V32-V106 HydrophobicContact CG2-CB 4.09Å; V32-V106 HydrophobicContact CG2-CG2 4.18Å; A54-V106 HydrophobicContact CB-CB 4.37Å; A54-V106 HydrophobicContact CB-CG1 3.89Å; A54-V106 HydrophobicContact CB-CG2 4.19Å; H66-V106 HydrophobicContact CB-CG1 4.44Å; Q67-V106 CarbonylContact O-C 3.48Å; Q67-V106 WeakPolarHBondContact O-CA 3.49Å; M68-V106 HydrophobicContact CG-CG2 4.1Å; V106-V108 HydrophobicContact CG1-CG2 4.17Å; V106-E112 VanDerWaalsContact O-CA 3.26Å; V106-E112 WeakPolarHBondContact O-CA 3.3Å; V106-K113 PolarHBondContact N-O 2.03Å; V106-K113 PolarHBondContact O-N 2.9Å
107I97.5Very high96.7Very high38 Ų3853.6 Ų53.620%0.19528%0.278CS..EExtended strand (participates in β ladder)trans-115125.8178.6-50.5177.4000108.7Q67 L69 T105 K111 E112Q67-I107 HydrophobicContact CB-CB 4.26Å; Q67-I107 PolarHBondContact N-O 3.46Å; Q67-I107 PolarHBondContact O-N 2.98Å; L69-I107 HydrophobicContact CD1-CD1 3.77Å; T105-I107 HydrophobicContact CG2-CG1 4.3Å; I107-K111 CarbonylContact C-O 3.54Å; I107-K111 VanDerWaalsContact CA-O 3.29Å; I107-K111 WeakPolarHBondContact CA-O 3.38Å; I107-E112 HydrophobicContact CG1-CB 3.94Å
108V95Very high96.9Very high1 Ų151.9 Ų51.91%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-137.1119.9175.8177.20000108.4F27 I29 V56 P64 H66 V106 N110 K111F27-V108 HydrophobicContact CB-CG1 4.37Å; F27-V108 HydrophobicContact CD1-CG1 4.17Å; F27-V108 HydrophobicContact CG-CG1 4.45Å; I29-V108 HydrophobicContact CD1-CB 4.37Å; I29-V108 HydrophobicContact CD1-CG2 4.49Å; I29-V108 HydrophobicContact CG1-CB 4.47Å; V56-V108 HydrophobicContact CG1-CG1 4.4Å; V56-V108 HydrophobicContact CG2-CG2 4.31Å; P64-V108 HydrophobicContact CB-CG1 3.56Å; P64-V108 HydrophobicContact CG-CG1 4.04Å; H66-V108 HydrophobicContact CB-CG2 4.24Å; H66-V108 VanDerWaalsContact CD2-CG2 3.46Å; H66-V108 WeakPolarHBondContact CD2-CG2 3.42Å; V106-V108 HydrophobicContact CG1-CG2 4.17Å; V108-N110 VanDerWaalsContact C-N 3.34Å; V108-N110 PolarHBondContact O-N 2.97Å; V108-K111 PolarHBondContact N-O 3.12Å; V108-K111 WeakPolarHBondContact O-CB 3.3Å; V108-K111 PolarHBondContact O-N 2.86Å
109N90Very high97Very high88 Ų8855.6 Ų55.647%0.47129%0.288SS..THydrogen-bonded Turntrans45.554.6176.3-68.2-32.2000113.3F27 K111F27-N109 VanDerWaalsContact CD1-ND2 3.34Å; F27-N109 WeakPolarHBondContact CD1-ND2 3.49Å; F27-N109 HydrophobicContact CD2-CB 3.97Å; F27-N109 WeakPolarHBondContact CD2-ND2 3.38Å; F27-N109 WeakPolarHBondContact CE1-ND2 3.01Å; F27-N109 HydrophobicContact CE2-CB 4.46Å; F27-N109 WeakPolarHBondContact CE2-ND2 3.46Å; F27-N109 HydrophobicContact CG-CB 4.23Å; F27-N109 VanDerWaalsContact CG-ND2 3.28Å; F27-N109 WeakPolarHBondContact CG-ND2 3.36Å; F27-N109 WeakPolarHBondContact CZ-ND2 2.99Å; N109-K111 PolarHBondContact O-N 2.95Å; N109-K111 VanDerWaalsContact O-N 3.12Å
110N88.6Confident97.1Very high167 Ų16754.3 Ų54.389%0.89328%0.279SS*.THydrogen-bonded Turntrans63.78.1-179.9-54.4-21.8000115.8V108V108-N110 VanDerWaalsContact C-N 3.34Å; V108-N110 PolarHBondContact O-N 2.97Å
111K93.6Very high97.1Very high104 Ų10457.8 Ų57.845%0.45230%0.296SS..EExtended strand (participates in β ladder)trans-100.3141167.1-61.7-172.2-178.7-171.80109.1F27 I29 I107 V108 N109F27-K111 WeakPolarHBondContact O-CD 3.4Å; F27-K111 WeakPolarHBondContact O-CE 3.43Å; F27-K111 PolarHBondContact O-NZ 3.02Å; I29-K111 HydrophobicContact CD1-CB 4.36Å; I29-K111 WeakPolarHBondContact CD1-O 3.27Å; I107-K111 CarbonylContact C-O 3.54Å; I107-K111 VanDerWaalsContact CA-O 3.29Å; I107-K111 WeakPolarHBondContact CA-O 3.38Å; V108-K111 PolarHBondContact N-O 3.12Å; V108-K111 WeakPolarHBondContact O-CB 3.3Å; V108-K111 PolarHBondContact O-N 2.86Å; N109-K111 PolarHBondContact O-N 2.95Å; N109-K111 VanDerWaalsContact O-N 3.12Å
112E96.9Very high97Very high140 Ų14056.3 Ų56.365%0.65429%0.287SS*.EExtended strand (participates in β ladder)trans-129.1151177.668.5-178.5-166.700111.7T105 V106 I107T105-E112 HydrophobicContact CG2-CB 4.26Å; V106-E112 VanDerWaalsContact O-CA 3.26Å; V106-E112 WeakPolarHBondContact O-CA 3.3Å; I107-E112 HydrophobicContact CG1-CB 3.94Å
113K98.4Very high96.9Very high84 Ų8460.1 Ų60.137%0.36531%0.305SS..EExtended strand (participates in β ladder)trans-147.1135.4170.2-172.1166.7-175.7167.20109I29 N30 V32 V106I29-K113 HydrophobicContact CB-CB 4.19Å; I29-K113 HydrophobicContact CB-CD 4.43Å; I29-K113 HydrophobicContact CD1-CB 4.26Å; I29-K113 HydrophobicContact CG2-CB 3.86Å; I29-K113 HydrophobicContact CG2-CD 4.05Å; N30-K113 PolarHBondContact O-NZ 2.85Å; V32-K113 HydrophobicContact CG2-CB 3.72Å; V32-K113 HydrophobicContact CG2-CD 4.16Å; V32-K113 HydrophobicContact CG2-CG 3.87Å; V106-K113 PolarHBondContact N-O 2.03Å; V106-K113 PolarHBondContact O-N 2.9Å
114T98.4Very high96.6Very high64 Ų6460.3 Ų60.339%0.39332%0.318SS..EExtended strand (participates in β ladder)trans-106.8144.4179-52.90000109.8K103 C104 T105K103-T114 HydrophobicContact CB-CG2 4.34Å; K103-T114 HydrophobicContact CD-CG2 3.96Å; K103-T114 HydrophobicContact CG-CG2 4.34Å; C104-T114 CarbonylContact O-C 3.56Å; C104-T114 WeakPolarHBondContact O-CA 3.38Å; T105-T114 WeakPolarHBondContact OG1-CG2 3.44Å; T105-T114 PolarHBondContact OG1-OG1 2.78Å
115T98.6Very high96.2Very high13 Ų1365.2 Ų65.28%0.0835%0.347CS..PPolyproline II helixtrans-66.3169.7173.162.30000111.8V32 M34 K103 C104V32-T115 HydrophobicContact CB-CG2 4.03Å; V32-T115 HydrophobicContact CG1-CG2 3.44Å; V32-T115 VanDerWaalsContact CG1-CG2 3.44Å; M34-T115 HydrophobicContact CB-CG2 4.23Å; K103-T115 WeakPolarHBondContact CA-OG1 3.34Å; C104-T115 HydrophobicContact CB-CG2 3.92Å; C104-T115 PolarHBondContact N-OG1 3.18Å; C104-T115 WeakPolarHBondContact O-CG2 3.43Å; C104-T115 PolarHBondContact O-N 2.83Å; C104-T115 PolarHBondContact O-OG1 3.26Å
116A97.8Very high95.9Very high66 Ų6665.7 Ų65.755%0.54535%0.351SS..PPolyproline II helixtrans-60.1167.1156.400000111Y118A116-Y118 HydrophobicContact CB-CE2 4.37Å; A116-Y118 WeakPolarHBondContact O-CD2 3.42Å; A116-Y118 VanDerWaalsContact O-CE2 3.24Å; A116-Y118 WeakPolarHBondContact O-CE2 3.23Å
117E98.3Very high95.6Very high117 Ų11770.8 Ų70.855%0.54739%0.386SS..PPolyproline II helixtrans-85135.2173.5-73.6-179.3171.800110.5T101 K103T101-E117 HydrophobicContact CG2-CB 3.66Å; T101-E117 HydrophobicContact CG2-CG 3.87Å; K103-E117 HydrophobicContact CD-CG 4.16Å; K103-E117 IonicContact NZ-OE1 2.62Å; K103-E117 PolarHBondContact NZ-OE1 2.92Å
118Y98.6Very high95.3Very high51 Ų5172.3 Ų72.320%0.240%0.399CS..EExtended strand (participates in β ladder)trans-122.5128.6-179.8-61.9-93.1000110.4M34 W40 Y102 A116M34-Y118 HydrophobicContact CB-CD2 3.73Å; M34-Y118 HydrophobicContact CB-CE2 3.42Å; M34-Y118 VanDerWaalsContact CB-CE2 3.42Å; M34-Y118 HydrophobicContact SD-CD2 4.33Å; W40-Y118 HydrophobicContact CD2-CD1 4.3Å; W40-Y118 AromaticContact CE2-CD1 3.56Å; W40-Y118 HydrophobicContact CE3-CG 4.48Å; W40-Y118 AromaticContact CH2-CD1 3.6Å; W40-Y118 HydrophobicContact CH2-CD1 3.6Å; W40-Y118 AromaticContact CH2-CD2 4Å; W40-Y118 HydrophobicContact CH2-CD2 4Å; W40-Y118 HydrophobicContact CH2-CE1 4.35Å; W40-Y118 AromaticContact CH2-CG 3.37Å; W40-Y118 HydrophobicContact CH2-CG 3.37Å; W40-Y118 AromaticContact CZ2-CD1 3.16Å; W40-Y118 HydrophobicContact CZ2-CD1 3.16Å; W40-Y118 HydrophobicContact CZ2-CD2 4.31Å; W40-Y118 AromaticContact CZ2-CE1 3.71Å; W40-Y118 HydrophobicContact CZ2-CE1 3.71Å; W40-Y118 AromaticContact CZ2-CG 3.51Å; W40-Y118 HydrophobicContact CZ2-CG 3.51Å; W40-Y118 HydrophobicContact CZ3-CD1 4.31Å; W40-Y118 AromaticContact CZ3-CG 3.9Å; W40-Y118 HydrophobicContact CZ3-CG 3.9Å; Y102-Y118 PolarHBondContact N-O 2.9Å; Y102-Y118 PolarHBondContact O-N 2.83Å; A116-Y118 HydrophobicContact CB-CE2 4.37Å; A116-Y118 WeakPolarHBondContact O-CD2 3.42Å; A116-Y118 VanDerWaalsContact O-CE2 3.24Å; A116-Y118 WeakPolarHBondContact O-CE2 3.23Å
119Q98.5Very high95.3Very high108 Ų10879 Ų7951%0.50542%0.424SS..EExtended strand (participates in β ladder)trans-86.1117.4177.9-17464.654.100109.9G100G100-Q119 VanDerWaalsContact C-NE2 3.33Å; G100-Q119 PolarHBondContact O-NE2 3.04Å; G100-Q119 VanDerWaalsContact O-NE2 3.08Å
120V98.6Very high95.5Very high0 Ų079.2 Ų79.20%043%0.428CS..EExtended strand (participates in β ladder)trans-89127.6164.5174.60000108.2W40 L48 L50 S99 G100 Y102 V122W40-V120 HydrophobicContact CE3-CG2 3.79Å; W40-V120 HydrophobicContact CZ3-CG2 4.02Å; W40-V120 WeakPolarHBondContact O-CA 3.21Å; L48-V120 HydrophobicContact CD2-CG1 3.75Å; L48-V120 HydrophobicContact CD2-CG2 4.42Å; L50-V120 HydrophobicContact CD2-CG2 4.2Å; S99-V120 WeakPolarHBondContact CA-O 2.97Å; S99-V120 WeakPolarHBondContact CB-O 3.2Å; G100-V120 PolarHBondContact N-O 2.79Å; G100-V120 VanDerWaalsContact N-O 3.15Å; G100-V120 PolarHBondContact O-N 3.11Å; Y102-V120 HydrophobicContact CD2-CB 3.78Å; Y102-V120 HydrophobicContact CD2-CG2 3.41Å; Y102-V120 VanDerWaalsContact CD2-CG2 3.41Å; Y102-V120 HydrophobicContact CE2-CB 3.7Å; Y102-V120 HydrophobicContact CE2-CG1 4.43Å; Y102-V120 HydrophobicContact CE2-CG2 3.68Å; Y102-V120 HydrophobicContact CG-CG2 4.16Å; V120-V122 HydrophobicContact CG1-CG2 4.35Å
121L98.2Very high95.7Very high79 Ų7974.9 Ų74.941%0.41441%0.408SS..EExtended strand (participates in β ladder)trans-119.1120.3175.3178.662.9000110W40 T41 V42 E123W40-L121 PolarHBondContact O-N 2.92Å; T41-L121 CarbonylContact C-O 3.55Å; T41-L121 VanDerWaalsContact CA-O 3.29Å; T41-L121 WeakPolarHBondContact CA-O 3.19Å; T41-L121 HydrophobicContact CG2-CB 4.44Å; T41-L121 HydrophobicContact CG2-CD2 4.25Å; T41-L121 HydrophobicContact CG2-CG 4.41Å; V42-L121 PolarHBondContact N-O 2.82Å; L121-E123 HydrophobicContact CD2-CG 4.31Å; L121-E123 HydrophobicContact CG-CG 4.24Å
122V97.8Very high95.7Very high8 Ų874.7 Ų74.75%0.04841%0.411CS..EExtended strand (participates in β ladder)trans-100.7118.7174.7-177.50000109.6V42 N44 V94 R95 S99 V120V42-V122 CarbonylContact O-C 3.57Å; V42-V122 VanDerWaalsContact O-CA 3.25Å; V42-V122 WeakPolarHBondContact O-CA 3.49Å; N44-V122 HydrophobicContact CB-CG1 4.18Å; V94-V122 HydrophobicContact CB-CG2 4.42Å; V94-V122 HydrophobicContact CG1-CG1 3.94Å; V94-V122 HydrophobicContact CG1-CG2 4.01Å; V94-V122 HydrophobicContact CG2-CG2 3.57Å; R95-V122 WeakPolarHBondContact O-CG2 3.28Å; S99-V122 WeakPolarHBondContact OG-CB 3.38Å; S99-V122 PolarHBondContact OG-N 2.81Å; V120-V122 HydrophobicContact CG1-CG2 4.35Å
123E96.3Very high95.6Very high85 Ų8572 Ų7240%0.39740%0.401SS..EExtended strand (participates in β ladder)trans-100147.8-176.9-68.3-173.1156.200112.3T41 V42 Q43 N44 L121T41-E123 VanDerWaalsContact CG2-CD 3.45Å; T41-E123 HydrophobicContact CG2-CG 3.74Å; V42-E123 PolarHBondContact O-N 3.13Å; Q43-E123 CarbonylContact C-O 3.59Å; Q43-E123 PolarHBondContact NE2-OE2 3.43Å; N44-E123 WeakPolarHBondContact CB-O 3.37Å; N44-E123 PolarHBondContact N-O 2.57Å; L121-E123 HydrophobicContact CD2-CG 4.31Å; L121-E123 HydrophobicContact CG-CG 4.24Å
124G92.7Very high95.4Very high43 Ų4371.7 Ų71.744%0.44340%0.4SS..  trans86.2149.8178.400000113.3N44N44-G124 WeakPolarHBondContact CB-O 2.96Å; N44-G124 PolarHBondContact ND2-O 2.79Å
125V89.6Confident95.1Very high102 Ų10278.6 Ų78.662%0.61843%0.425SS*.  trans-113.7136.5174.9-173.80000107.5I96 V149I96-V125 HydrophobicContact CD1-CB 4.45Å; I96-V125 HydrophobicContact CD1-CG2 3.81Å; V125-V149 HydrophobicContact CG1-CG1 4.44Å
126P91.6Very high94.7Very high22 Ų2286.2 Ų86.214%0.14346%0.459CS..PPolyproline II helixtrans-57.5151.4173.9-21.832.1000111.9N44 V149 E151 E152N44-P126 WeakPolarHBondContact OD1-CG 3.08Å; P126-V149 HydrophobicContact CB-CG1 3.78Å; P126-V149 HydrophobicContact CG-CG1 4Å; P126-E151 HydrophobicContact CG-CB 4.26Å; P126-E152 HydrophobicContact CG-CG 4.04Å
127S91.7Very high94.3Very high106 Ų10685.9 Ų85.974%0.74146%0.456SS*.PPolyproline II helixtrans-64.7128.4176.4-66.40000110.5
128P93.3Very high94.1Very high71 Ų7186.9 Ų86.946%0.46146%0.464SS..PPolyproline II helixtrans-67.7141.6179.326.6-33.2000111.2S148 V149P128-S148 CarbonylContact C-O 3.57Å; P128-S148 WeakPolarHBondContact CA-O 3.34Å; P128-V149 HydrophobicContact CB-CG2 4Å
129R94.3Very high93.6Very high141 Ų14194 Ų9453%0.53250%0.499SS..EExtended strand (participates in β ladder)trans-87119.5171.8-57.5-175.8-170.8-169.23109C147 S148 E151R129-C147 WeakPolarHBondContact O-CA 3.36Å; R129-S148 PolarHBondContact N-O 3.13Å; R129-S148 PolarHBondContact O-N 3.28Å; R129-E151 IonicContact CZ-OE1 2.71Å; R129-E151 IonicContact NE-OE1 2.73Å; R129-E151 IonicContact NH2-OE1 3.56Å; R129-E151 PolarHBondContact NH2-OE1 2.71Å
130V93.1Very high93.2Very high92 Ų9292.7 Ų92.756%0.55852%0.515SS*.EExtended strand (participates in β ladder)trans-106.1127.1177.8-176.70000109.6V145 N146V130-V145 HydrophobicContact CG1-CG1 3.77Å; V130-N146 CarbonylContact C-O 3.55Å; V130-N146 WeakPolarHBondContact CA-O 3.46Å
131T93.9Very high92.8Very high76 Ų7694.4 Ų94.447%0.46653%0.532SS..EExtended strand (participates in β ladder)trans-128.3146.6176.855.30000110.7N146T131-N146 PolarHBondContact N-O 3.21Å; T131-N146 PolarHBondContact O-N 3.23Å; T131-N146 WeakPolarHBondContact OG1-CB 3.19Å
132L93.8Very high92.4Very high101 Ų10196.9 Ų96.953%0.52954%0.544SS..EExtended strand (participates in β ladder)trans-117.1142.5179.7-59.2175.1000109.2K134 V143 R144 V145L132-K134 PolarHBondContact O-N 3.24Å; L132-V143 HydrophobicContact CD2-CG1 4.06Å; L132-R144 WeakPolarHBondContact CA-O 3.4Å; L132-V145 HydrophobicContact CD2-CB 4.2Å; L132-V145 HydrophobicContact CD2-CG1 4.11Å; L132-V145 HydrophobicContact CD2-CG2 3.67Å
133D95.3Very high92.1Very high82 Ų8299.1 Ų99.144%0.43956%0.558SS.*SBendtrans-68.3-24.4173.965.7-27.5000113R144D133-R144 HydrophobicContact CB-CB 4.1Å; D133-R144 VanDerWaalsContact CG-N 3.32Å; D133-R144 PolarHBondContact N-O 3.15Å; D133-R144 VanDerWaalsContact N-O 3.13Å; D133-R144 PolarHBondContact OD1-N 2.86Å; D133-R144 PolarHBondContact OD2-N 3.38Å
134K93.3Very high91.9Very high78 Ų78104 Ų10434%0.33957%0.573SS.*  trans-150.6151.817758.4-166.2155-163.80112.6L132 E136 I142 V143L132-K134 PolarHBondContact O-N 3.24Å; K134-E136 WeakPolarHBondContact CD-O 3.22Å; K134-E136 WeakPolarHBondContact CG-O 3.28Å; K134-I142 WeakPolarHBondContact CE-O 3.04Å; K134-I142 PolarHBondContact NZ-O 2.86Å; K134-V143 HydrophobicContact CG-CG2 4.25Å
135K91.2Very high91.8Very high210 Ų210105 Ų10591%0.91357%0.571SS**SBendtrans-86.6-26.1178.8-65-174.5178.1-178.30113.4
136E91.3Very high92Very high172 Ų172103.3 Ų103.380%0.80456%0.558SS**  trans-128.8147.9-179.3-65.3177.7-168.400109.4K134K134-E136 WeakPolarHBondContact CD-O 3.22Å; K134-E136 WeakPolarHBondContact CG-O 3.28Å
137A90.2Very high92Very high59 Ų59102.8 Ų102.849%0.48856%0.555SS.*  trans-142.2144.9179.600000110.6V143A137-V143 HydrophobicContact CB-CG2 3.6Å
138I92.8Very high92Very high139 Ų13998.9 Ų98.971%0.71353%0.528SS*.  trans-90.6163173.461.3172.1000110.8G140 G141I138-G140 PolarHBondContact O-N 2.7Å; I138-G141 PolarHBondContact O-N 2.93Å
139Q89.3Confident92Very high200 Ų20095.7 Ų95.794%0.93551%0.507SS*.THydrogen-bonded Turntrans-55.5133.1172.8-175.4174-2100110.8G141Q139-G141 PolarHBondContact O-N 2.93Å
140G88.8Confident91.8Very high81 Ų8192.2 Ų92.284%0.83550%0.502SS*.THydrogen-bonded Turntrans79.7-8.6-174.500000115I138I138-G140 PolarHBondContact O-N 2.7Å
141G89.9Confident91.7Very high35 Ų3590.3 Ų90.336%0.36149%0.487SS..PPolyproline II helixtrans-73.7143.6176.500000113.3I138 Q139I138-G141 PolarHBondContact O-N 2.93Å; Q139-G141 PolarHBondContact O-N 2.93Å
142I90.1Very high91.7Very high131 Ų13187.6 Ų87.667%0.67247%0.469SS*.PPolyproline II helixtrans-95.5123.5176.9-60.4171.5000109.7K134K134-I142 WeakPolarHBondContact CE-O 3.04Å; K134-I142 PolarHBondContact NZ-O 2.86Å
143V91.3Very high91.5Very high56 Ų5689 Ų8934%0.33947%0.471SS..PPolyproline II helixtrans-97.4128.9169.3-179.50000108.6L132 K134 A137L132-V143 HydrophobicContact CD2-CG1 4.06Å; K134-V143 HydrophobicContact CG-CG2 4.25Å; A137-V143 HydrophobicContact CB-CG2 3.6Å
144R92Very high91.1Very high186 Ų18686.8 Ų86.870%0.70247%0.465SS*.PPolyproline II helixtrans-93.5126.4173.1-67-179.4175.6138-3.1109.2L132 D133L132-R144 WeakPolarHBondContact CA-O 3.4Å; D133-R144 HydrophobicContact CB-CB 4.1Å; D133-R144 VanDerWaalsContact CG-N 3.32Å; D133-R144 PolarHBondContact N-O 3.15Å; D133-R144 VanDerWaalsContact N-O 3.13Å; D133-R144 PolarHBondContact OD1-N 2.86Å; D133-R144 PolarHBondContact OD2-N 3.38Å
145V92.1Very high91Very high66 Ų6688.5 Ų88.540%0.448%0.483SS..EExtended strand (participates in β ladder)trans-107126.4175.1-171.70000107.7V130 L132 I160V130-V145 HydrophobicContact CG1-CG1 3.77Å; L132-V145 HydrophobicContact CD2-CB 4.2Å; L132-V145 HydrophobicContact CD2-CG1 4.11Å; L132-V145 HydrophobicContact CD2-CG2 3.67Å; V145-I160 HydrophobicContact CG1-CD1 4.25Å; V145-I160 HydrophobicContact CG1-CG2 4.21Å
146N92Very high90.9Very high66 Ų6679.6 Ų79.635%0.35345%0.446SS..EExtended strand (participates in β ladder)trans-112132170.9-177.613.5000109V130 T131 F183V130-N146 CarbonylContact C-O 3.55Å; V130-N146 WeakPolarHBondContact CA-O 3.46Å; T131-N146 PolarHBondContact N-O 3.21Å; T131-N146 PolarHBondContact O-N 3.23Å; T131-N146 WeakPolarHBondContact OG1-CB 3.19Å; N146-F183 WeakPolarHBondContact OD1-CB 3.43Å
147C92.2Very high90.9Very high10 Ų1076 Ų767%0.06843%0.428CS..EExtended strand (participates in β ladder)trans-129.3124.9-178.1-1700000108.1R129 F158 I160R129-C147 WeakPolarHBondContact O-CA 3.36Å; C147-F158 HydrophobicContact CB-CD1 4.11Å; C147-F158 HydrophobicContact CB-CE1 4.36Å; C147-F158 VanDerWaalsContact SG-CD1 3.52Å; C147-I160 HydrophobicContact CB-CD1 3.87Å; C147-I160 HydrophobicContact CB-CG1 4.35Å
148S92.3Very high91Very high25 Ų2573.8 Ų73.818%0.17541%0.408CS..EExtended strand (participates in β ladder)trans-141.8146.9-175.961.40000111.2P128 R129 P150 N182P128-S148 CarbonylContact C-O 3.57Å; P128-S148 WeakPolarHBondContact CA-O 3.34Å; R129-S148 PolarHBondContact N-O 3.13Å; R129-S148 PolarHBondContact O-N 3.28Å; S148-P150 WeakPolarHBondContact O-CD 3.22Å; S148-N182 WeakPolarHBondContact CA-O 3.26Å; S148-N182 WeakPolarHBondContact CB-O 3.43Å
149V93.3Very high91Very high4 Ų470.2 Ų70.22%0.02439%0.393CS..  trans-117.268171.9-169.50000108.5V125 P126 P128 E151 E152 I156 F158 N182V125-V149 HydrophobicContact CG1-CG1 4.44Å; P126-V149 HydrophobicContact CB-CG1 3.78Å; P126-V149 HydrophobicContact CG-CG1 4Å; P128-V149 HydrophobicContact CB-CG2 4Å; V149-E151 PolarHBondContact O-N 2.86Å; V149-E152 HydrophobicContact CB-CB 4.41Å; V149-E152 HydrophobicContact CG1-CB 4.03Å; V149-E152 HydrophobicContact CG1-CG 3.93Å; V149-E152 PolarHBondContact O-N 2.9Å; V149-I156 HydrophobicContact CB-CD1 4.33Å; V149-F158 HydrophobicContact CG2-CE1 3.73Å; V149-F158 HydrophobicContact CG2-CZ 4.05Å; V149-N182 VanDerWaalsContact C-ND2 3.29Å; V149-N182 PolarHBondContact N-OD1 2.86Å; V149-N182 PolarHBondContact O-ND2 3.24Å; V149-N182 PolarHBondContact O-OD1 2.87Å
150P90.5Very high91.1Very high67 Ų6763.2 Ų63.244%0.43536%0.361SS..THydrogen-bonded Turntrans-57.6-20-160.323.1-33.4000115.3S148 E152S148-P150 WeakPolarHBondContact O-CD 3.22Å; P150-E152 VanDerWaalsContact C-N 3.3Å
151E91.4Very high91.2Very high52 Ų5264 Ų6424%0.24334%0.343CS..THydrogen-bonded Turntrans-76.4-12.5176.8-55.579.8-172.800113.8P126 R129 V149P126-E151 HydrophobicContact CG-CB 4.26Å; R129-E151 IonicContact CZ-OE1 2.71Å; R129-E151 IonicContact NE-OE1 2.73Å; R129-E151 IonicContact NH2-OE1 3.56Å; R129-E151 PolarHBondContact NH2-OE1 2.71Å; V149-E151 PolarHBondContact O-N 2.86Å
152E91.9Very high91.1Very high19 Ų1968.6 Ų68.69%0.08935%0.353CS..SBendtrans-110.1167.6-177.7-74-61162.100113.7N44 I96 P126 V149 P150 I156 N182N44-E152 PolarHBondContact ND2-OE1 2.79Å; I96-E152 PolarHBondContact N-OE1 3.13Å; I96-E152 VanDerWaalsContact N-OE1 3.16Å; P126-E152 HydrophobicContact CG-CG 4.04Å; V149-E152 HydrophobicContact CB-CB 4.41Å; V149-E152 HydrophobicContact CG1-CB 4.03Å; V149-E152 HydrophobicContact CG1-CG 3.93Å; V149-E152 PolarHBondContact O-N 2.9Å; P150-E152 VanDerWaalsContact C-N 3.3Å; E152-I156 HydrophobicContact CB-CD1 4.08Å; E152-N182 PolarHBondContact O-ND2 3.04Å
153K89.9Confident91Very high130 Ų13067.3 Ų67.357%0.56535%0.347SS*.  trans-111.3153.8177.8-67.2176.9-174.6165.60111Y97 I156Y97-K153 HydrophobicContact CD1-CB 4.06Å; Y97-K153 HydrophobicContact CD1-CD 3.66Å; Y97-K153 HydrophobicContact CD1-CG 3.71Å; Y97-K153 HydrophobicContact CD2-CD 4.45Å; Y97-K153 HydrophobicContact CE1-CD 3.93Å; Y97-K153 HydrophobicContact CE1-CG 3.89Å; Y97-K153 HydrophobicContact CG-CD 3.94Å; Y97-K153 HydrophobicContact CG-CG 4.46Å; K153-I156 WeakPolarHBondContact O-CG1 3.03Å
154A87.4Confident90.6Very high37 Ų3767.4 Ų67.431%0.30634%0.344SS..SBendtrans-65.4153.6174.500000111.1R179A154-R179 WeakPolarHBondContact CB-O 3.48Å
155P90.8Very high89.7Confident113 Ų11366.5 Ų66.573%0.73435%0.352SS*.  cis-82.1138.44.632.3-34.4000113.8S178P155-S178 WeakPolarHBondContact CA-O 3.25Å
156I89.9Confident88.7Confident23 Ų2370.7 Ų70.712%0.11837%0.372CS..EExtended strand (participates in β ladder)trans-123.7132.7176.2-56.9168.5000109.8V149 E152 K153 F158 S178 N182V149-I156 HydrophobicContact CB-CD1 4.33Å; E152-I156 HydrophobicContact CB-CD1 4.08Å; K153-I156 WeakPolarHBondContact O-CG1 3.03Å; I156-F158 HydrophobicContact CB-CD2 4.45Å; I156-F158 HydrophobicContact CB-CE2 3.83Å; I156-F158 HydrophobicContact CB-CZ 4.17Å; I156-F158 HydrophobicContact CD1-CZ 4.45Å; I156-F158 HydrophobicContact CG2-CD1 4.42Å; I156-F158 HydrophobicContact CG2-CD2 4.02Å; I156-F158 HydrophobicContact CG2-CE1 4.02Å; I156-F158 HydrophobicContact CG2-CE2 3.56Å; I156-F158 HydrophobicContact CG2-CG 4.44Å; I156-F158 HydrophobicContact CG2-CZ 3.56Å; I156-S178 PolarHBondContact N-O 2.89Å; I156-S178 PolarHBondContact O-N 2.89Å; I156-N182 HydrophobicContact CD1-CB 4.49Å; I156-N182 WeakPolarHBondContact CD1-OD1 3.48Å
157H91.3Very high87.7Confident96 Ų9673.2 Ų73.244%0.44438%0.382SS..EExtended strand (participates in β ladder)trans-97117.5173-179.380.7000110.4T159 N177H157-T159 PolarHBondContact NE2-OG1 2.86Å; H157-N177 PolarHBondContact ND1-OD1 2.97Å
158F92.1Very high86.4Confident13 Ų1381.8 Ų81.86%0.05742%0.418CS..EExtended strand (participates in β ladder)trans-104.2133.8176.8-67.2-80.4000111.1C147 V149 I156 E175 K176C147-F158 HydrophobicContact CB-CD1 4.11Å; C147-F158 HydrophobicContact CB-CE1 4.36Å; C147-F158 VanDerWaalsContact SG-CD1 3.52Å; V149-F158 HydrophobicContact CG2-CE1 3.73Å; V149-F158 HydrophobicContact CG2-CZ 4.05Å; I156-F158 HydrophobicContact CB-CD2 4.45Å; I156-F158 HydrophobicContact CB-CE2 3.83Å; I156-F158 HydrophobicContact CB-CZ 4.17Å; I156-F158 HydrophobicContact CD1-CZ 4.45Å; I156-F158 HydrophobicContact CG2-CD1 4.42Å; I156-F158 HydrophobicContact CG2-CD2 4.02Å; I156-F158 HydrophobicContact CG2-CE1 4.02Å; I156-F158 HydrophobicContact CG2-CE2 3.56Å; I156-F158 HydrophobicContact CG2-CG 4.44Å; I156-F158 HydrophobicContact CG2-CZ 3.56Å; F158-E175 CarbonylContact O-C 3.55Å; F158-E175 VanDerWaalsContact O-CA 3.29Å; F158-E175 WeakPolarHBondContact O-CA 3.36Å; F158-K176 PolarHBondContact N-O 3.43Å; F158-K176 PolarHBondContact O-N 3Å
159T92.1Very high85.5Confident64 Ų6486 Ų8639%0.39344%0.437SS..EExtended strand (participates in β ladder)trans-115.8125165.1-71.40000108.6H157 E161 K173H157-T159 PolarHBondContact NE2-OG1 2.86Å; T159-E161 HydrophobicContact CG2-CG 4.27Å; T159-K173 HydrophobicContact CG2-CD 4.33Å; T159-K173 HydrophobicContact CG2-CG 4.12Å
160I91.6Very high84.6Confident54 Ų5489.3 Ų89.328%0.27746%0.457SS..EExtended strand (participates in β ladder)trans-119.1123.7179.3-58.3177.4000108.8V145 C147 K173 R174V145-I160 HydrophobicContact CG1-CD1 4.25Å; V145-I160 HydrophobicContact CG1-CG2 4.21Å; C147-I160 HydrophobicContact CB-CD1 3.87Å; C147-I160 HydrophobicContact CB-CG1 4.35Å; I160-K173 CarbonylContact O-C 3.58Å; I160-K173 WeakPolarHBondContact O-CA 3.24Å; I160-R174 PolarHBondContact N-O 2.97Å; I160-R174 PolarHBondContact O-N 2.9Å
161E90.7Very high84Confident98 Ų9891.5 Ų91.546%0.45846%0.459SS..EExtended strand (participates in β ladder)trans-115.3131.2179.5-69.3-179.4172.600111.1T159 L163 V170 L172 K173T159-E161 HydrophobicContact CG2-CG 4.27Å; E161-L163 HydrophobicContact CB-CD2 4.45Å; E161-V170 HydrophobicContact CB-CG1 4.17Å; E161-V170 HydrophobicContact CG-CG1 4.13Å; E161-L172 CarbonylContact C-O 3.57Å; E161-L172 WeakPolarHBondContact CA-O 3.5Å; E161-K173 HydrophobicContact CG-CB 4.37Å; E161-K173 HydrophobicContact CG-CG 3.98Å
162K88.6Confident83.5Confident130 Ų13093 Ų9357%0.56547%0.468SS*.EExtended strand (participates in β ladder)trans-89.8116.9170.4-177.2-175.5176.7-178.10108.5K171 L172K162-K171 HydrophobicContact CD-CB 4.37Å; K162-K171 HydrophobicContact CG-CB 4.49Å; K162-K171 PolarHBondContact O-N 2.93Å; K162-L172 HydrophobicContact CB-CB 3.95Å; K162-L172 HydrophobicContact CD-CB 4.48Å; K162-L172 PolarHBondContact N-O 2.77Å
163L87.3Confident83.4Confident104 Ų10497 Ų9755%0.54549%0.485SS..EExtended strand (participates in β ladder)trans-100.8145.4179.5-56.1178000111.4E161 V170E161-L163 HydrophobicContact CB-CD2 4.45Å; L163-V170 HydrophobicContact CD2-CG2 3.75Å
164E83Confident83.3Confident59 Ų5999 Ų9928%0.27649%0.49SS..PPolyproline II helixtrans-89.3120.7160.1179.8152-122.200109.9N166 E167 K168 M169 K171E164-N166 PolarHBondContact O-N 2.91Å; E164-E167 HydrophobicContact CG-CB 4.48Å; E164-E167 PolarHBondContact O-N 3.48Å; E164-K168 PolarHBondContact O-N 2.84Å; E164-M169 PolarHBondContact N-O 3.14Å; E164-M169 VanDerWaalsContact N-O 3.09Å; E164-K171 HydrophobicContact CB-CD 4.28Å; E164-K171 HydrophobicContact CB-CG 4.48Å; E164-K171 VanDerWaalsContact CD-CE 3.45Å; E164-K171 IonicContact OE1-NZ 2.68Å; E164-K171 PolarHBondContact OE1-NZ 2.96Å; E164-K171 WeakPolarHBondContact OE2-CE 3.21Å; E164-K171 IonicContact OE2-NZ 2.72Å; E164-K171 PolarHBondContact OE2-NZ 3.1Å
165L73.6Confident83.4Confident167 Ų167102.9 Ų102.987%0.87450%0.501SS*.THydrogen-bonded Turntrans-58.5-32.1-173.4-74.6163.9000113.1
166N71.4Confident83.2Confident153 Ų153102.5 Ų102.582%0.81849%0.488SS*.THydrogen-bonded Turntrans-88.8-17.8-172.9-65-8.4000113.7E164E164-N166 PolarHBondContact O-N 2.91Å
167E70.8Confident83.1Confident119 Ų119106.7 Ų106.756%0.55651%0.51SS*.THydrogen-bonded Turntrans-125.6-5.1-172.2-60.7-175.1174.700113.3E164 M169E164-E167 HydrophobicContact CG-CB 4.48Å; E164-E167 PolarHBondContact O-N 3.48Å; E167-M169 HydrophobicContact CB-CB 4.28Å; E167-M169 HydrophobicContact CB-CG 3.86Å; E167-M169 HydrophobicContact CB-SD 4.2Å; E167-M169 PolarHBondContact O-N 3.17Å; E167-M169 VanDerWaalsContact OE2-SD 3.4Å
168K65.5Low82.6Confident191 Ų191102.5 Ų102.583%0.8349%0.492SS*.  trans47.823.3-169.5-66.5-175.4179.6179.20113.2E164E164-K168 PolarHBondContact O-N 2.84Å
169M72Confident82.1Confident114 Ų114111 Ų11156%0.56252%0.524SS*.  trans-83130.8177.3-69.8-174.777.900109.6E164 E167 K171E164-M169 PolarHBondContact N-O 3.14Å; E164-M169 VanDerWaalsContact N-O 3.09Å; E167-M169 HydrophobicContact CB-CB 4.28Å; E167-M169 HydrophobicContact CB-CG 3.86Å; E167-M169 HydrophobicContact CB-SD 4.2Å; E167-M169 PolarHBondContact O-N 3.17Å; E167-M169 VanDerWaalsContact OE2-SD 3.4Å; M169-K171 PolarHBondContact O-N 2.99Å
170V74.4Confident81.6Confident73 Ų73115 Ų11544%0.44254%0.543SS..EExtended strand (participates in β ladder)trans-74.5109.6172.3-179.80000108E161 L163E161-V170 HydrophobicContact CB-CG1 4.17Å; E161-V170 HydrophobicContact CG-CG1 4.13Å; L163-V170 HydrophobicContact CD2-CG2 3.75Å
171K77.8Confident80.7Confident113 Ų113118 Ų11849%0.49156%0.556SS.*EExtended strand (participates in β ladder)trans-82.4-29178.1-75.8-167.4165.5171.50113K162 E164 M169K162-K171 HydrophobicContact CD-CB 4.37Å; K162-K171 HydrophobicContact CG-CB 4.49Å; K162-K171 PolarHBondContact O-N 2.93Å; E164-K171 HydrophobicContact CB-CD 4.28Å; E164-K171 HydrophobicContact CB-CG 4.48Å; E164-K171 VanDerWaalsContact CD-CE 3.45Å; E164-K171 IonicContact OE1-NZ 2.68Å; E164-K171 PolarHBondContact OE1-NZ 2.96Å; E164-K171 WeakPolarHBondContact OE2-CE 3.21Å; E164-K171 IonicContact OE2-NZ 2.72Å; E164-K171 PolarHBondContact OE2-NZ 3.1Å; M169-K171 PolarHBondContact O-N 2.99Å
172L82.5Confident79.4Confident82 Ų82114.5 Ų114.543%0.42954%0.54SS..EExtended strand (participates in β ladder)trans-156.7135.2-177.6-175.566.9000109.5E161 K162 R174E161-L172 CarbonylContact C-O 3.57Å; E161-L172 WeakPolarHBondContact CA-O 3.5Å; K162-L172 HydrophobicContact CB-CB 3.95Å; K162-L172 HydrophobicContact CD-CB 4.48Å; K162-L172 PolarHBondContact N-O 2.77Å; L172-R174 HydrophobicContact CD2-CG 4.45Å; L172-R174 HydrophobicContact CG-CG 4.42Å
173K89.6Confident78Confident104 Ų104113.9 Ų113.945%0.45254%0.537SS..EExtended strand (participates in β ladder)trans-115.6136.6170.1-170.8-177.1-170.1-153.20108.8T159 I160 E161 E175T159-K173 HydrophobicContact CG2-CD 4.33Å; T159-K173 HydrophobicContact CG2-CG 4.12Å; I160-K173 CarbonylContact O-C 3.58Å; I160-K173 WeakPolarHBondContact O-CA 3.24Å; E161-K173 HydrophobicContact CG-CB 4.37Å; E161-K173 HydrophobicContact CG-CG 3.98Å; K173-E175 VanDerWaalsContact CE-OE1 3.26Å; K173-E175 WeakPolarHBondContact CE-OE1 2.98Å; K173-E175 IonicContact NZ-OE1 2.94Å; K173-E175 PolarHBondContact NZ-OE1 3.24Å
174R87.8Confident77.6Confident173 Ų173114.4 Ų114.465%0.65354%0.537SS*.EExtended strand (participates in β ladder)trans-131139.3171.9-70.9-169.3175.4174.40.2109.6I160 L172I160-R174 PolarHBondContact N-O 2.97Å; I160-R174 PolarHBondContact O-N 2.9Å; L172-R174 HydrophobicContact CD2-CG 4.45Å; L172-R174 HydrophobicContact CG-CG 4.42Å
175E89.9Confident77.3Confident118 Ų118117.3 Ų117.355%0.55155%0.551SS**EExtended strand (participates in β ladder)trans-121141.7179.7-63.9177.6-173.100109.4F158 K173F158-E175 CarbonylContact O-C 3.55Å; F158-E175 VanDerWaalsContact O-CA 3.29Å; F158-E175 WeakPolarHBondContact O-CA 3.36Å; K173-E175 VanDerWaalsContact CE-OE1 3.26Å; K173-E175 WeakPolarHBondContact CE-OE1 2.98Å; K173-E175 IonicContact NZ-OE1 2.94Å; K173-E175 PolarHBondContact NZ-OE1 3.24Å
176K86.4Confident77.5Confident104 Ų104114.5 Ų114.545%0.45253%0.533SS..EExtended strand (participates in β ladder)trans-142.1124.8177.9-168.4-172-175.9-163.30109.7F158 F183F158-K176 PolarHBondContact N-O 3.43Å; F158-K176 PolarHBondContact O-N 3Å; K176-F183 PolarHBondContact NZ-O 2.87Å; K176-F183 PolarHBondContact NZ-OXT 2.9Å
177N85.9Confident77.9Confident111 Ų111112.2 Ų112.259%0.59452%0.516SS*.EExtended strand (participates in β ladder)trans-94.5105.9168.1-73-53.8000108.6H157H157-N177 PolarHBondContact ND1-OD1 2.97Å
178S82.6Confident78.3Confident8 Ų8111.8 Ų111.86%0.05651%0.514CS..EExtended strand (participates in β ladder)trans-91.5112.1175-65.70000109.3P155 I156 Q181 F183P155-S178 WeakPolarHBondContact CA-O 3.25Å; I156-S178 PolarHBondContact N-O 2.89Å; I156-S178 PolarHBondContact O-N 2.89Å; S178-Q181 WeakPolarHBondContact CB-O 3.18Å; S178-F183 PolarHBondContact OG-O 2.81Å
179R81.3Confident79.2Confident193 Ų193106.5 Ų106.573%0.72849%0.492SS*.SBendtrans-87.7-37.4-172.4-65.7-175.8-177.3174.70.2113.9A154A154-R179 WeakPolarHBondContact CB-O 3.48Å
180D80.6Confident79.7Confident148 Ų148106 Ų10679%0.79149%0.487SS*.SBendtrans-117-12.5-171.5-49.5-57.8000112.9
181Q72.9Confident80.1Confident116 Ų116108.5 Ų108.554%0.54249%0.491SS..SBendtrans-140.9164.3-172.5-63.5-177.65.500111.2S178 F183S178-Q181 WeakPolarHBondContact CB-O 3.18Å; Q181-F183 HydrophobicContact CB-CE1 4.29Å; Q181-F183 HydrophobicContact CB-CZ 4.24Å
182N63.6Low80.3Confident24 Ų24108.2 Ų108.213%0.12849%0.491CS..  trans-104.140.5-174.5-161.3-26.6000113S148 V149 E152 I156S148-N182 WeakPolarHBondContact CA-O 3.26Å; S148-N182 WeakPolarHBondContact CB-O 3.43Å; V149-N182 VanDerWaalsContact C-ND2 3.29Å; V149-N182 PolarHBondContact N-OD1 2.86Å; V149-N182 PolarHBondContact O-ND2 3.24Å; V149-N182 PolarHBondContact O-OD1 2.87Å; E152-N182 PolarHBondContact O-ND2 3.04Å; I156-N182 HydrophobicContact CD1-CB 4.49Å; I156-N182 WeakPolarHBondContact CD1-OD1 3.48Å
183F60.2Low80.1Confident117 Ų117110.5 Ų110.551%0.51350%0.496SS..  trans-166.50177.346.4-91.2000111.5N146 K176 S178 Q181N146-F183 WeakPolarHBondContact OD1-CB 3.43Å; K176-F183 PolarHBondContact NZ-O 2.87Å; K176-F183 PolarHBondContact NZ-OXT 2.9Å; S178-F183 PolarHBondContact OG-O 2.81Å; Q181-F183 HydrophobicContact CB-CE1 4.29Å; Q181-F183 HydrophobicContact CB-CZ 4.24Å

Retrieved 183 of 183 residues in 167.5 ms (Link to these results)