A0A096NUV6_PAPAN Loading...

BPI fold-containing family A member 1

Lipid-binding protein which shows high specificity for the surfactant phospholipid dipalmitoylphosphatidylcholine (DPPC). Plays a role in the innate immune responses of the upper airways. Reduces the surface tension in secretions from airway epithelia and inhibits the formation of biofilm by pathogenic Gram-negative bacteria, such as P.aeruginosa and K.pneumoniae. Negatively regulates proteolytic cleavage of SCNN1G, an event that is required for activation of the epithelial sodium channel (ENaC), and thereby contributes to airway surface liquid homeostasis and proper clearance of mucus. Plays a role in the airway inflammatory response after exposure to irritants. May attract macrophages and neutrophils.

AlphaFold DB , UniProt , Accession A0A096NUV6, Species PAPAN (Papio anubis, Olive baboon), Gene BPIFA1, Length 255 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
1M39.3Very low40.4Very low248 Ų248157.5 Ų157.5100%1.22281%0.811SS**  0129.60-83.5157.166.400108.2
2F37Very low40.2Very low189 Ų189150.3 Ų150.383%0.82980%0.803SS**  trans-67.9149.1-179.3-94.3-102.9000113.4
3Q38.2Very low40.2Very low178 Ų178151.3 Ų151.383%0.83281%0.808SS**  168.4103.2118.8-102.3172.2-75.300108.9
4T46.4Very low40.3Very low121 Ų121153.1 Ų153.174%0.74282%0.816SS**  56.4129.185.152.70000117
5G38.9Very low40.4Very low70 Ų70148.5 Ų148.572%0.72281%0.807SS**  trans152.959.7166.500000114.4
6V40.3Very low40.5Very low125 Ų125149.9 Ų149.976%0.75881%0.807SS**  65.299.8111.4-176.90000114.7I8V6-I8 HydrophobicContact CG1-CD1 4.28Å; V6-I8 HydrophobicContact CG1-CG1 3.82Å
7L39.2Very low40.4Very low162 Ų162150.5 Ų150.585%0.84881%0.808SS**  trans-106.8110.7159.5-144.694.4000107.4V9L7-V9 HydrophobicContact CD2-CG2 4.02Å; L7-V9 PolarHBondContact O-N 3.01Å
8I49Very low40.2Very low130 Ų130152.1 Ų152.167%0.66781%0.812SS**  trans-83108.3173.8-65.5171.6000107.3V6 F10V6-I8 HydrophobicContact CG1-CD1 4.28Å; V6-I8 HydrophobicContact CG1-CG1 3.82Å; I8-F10 HydrophobicContact CG2-CD2 3.49Å; I8-F10 VanDerWaalsContact CG2-CD2 3.49Å; I8-F10 HydrophobicContact CG2-CE2 3.7Å
9V40.2Very low39.9Very low98 Ų98149.1 Ų149.159%0.59481%0.81SS**  trans-107.8104.3165.9178.40000106.5L7 Y11L7-V9 HydrophobicContact CD2-CG2 4.02Å; L7-V9 PolarHBondContact O-N 3.01Å; V9-Y11 HydrophobicContact CG1-CD2 3.99Å; V9-Y11 HydrophobicContact CG1-CE2 4.24Å; V9-Y11 PolarHBondContact O-N 3.27Å
10F38.4Very low39.9Very low194 Ų194150.6 Ų150.685%0.85181%0.812SS**  trans-78.4107.6167.6-95.2-82.2000108.9I8I8-F10 HydrophobicContact CG2-CD2 3.49Å; I8-F10 VanDerWaalsContact CG2-CD2 3.49Å; I8-F10 HydrophobicContact CG2-CE2 3.7Å
11Y37.8Very low39.3Very low218 Ų218153.5 Ų153.586%0.85582%0.818SS**  trans-78.2141.3159.7-101.5-95.7000109.9V9V9-Y11 HydrophobicContact CG1-CD2 3.99Å; V9-Y11 HydrophobicContact CG1-CE2 4.24Å; V9-Y11 PolarHBondContact O-N 3.27Å
12G38.1Very low38.8Very low70 Ų70145.1 Ų145.172%0.72280%0.795SS**  trans156.1133161.100000110.3
13L39.4Very low38.6Very low164 Ų164139.8 Ų139.886%0.85979%0.793SS**  cis-169.897.1-2.5-176.274.4000103.1A15L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.32Å
14L42.4Very low38.2Very low177 Ų177139.7 Ų139.793%0.92780%0.797SS**  trans-8480-177.9-131.6139.4000108.2Q16L14-Q16 PolarHBondContact O-N 2.49Å
15A40.6Very low37.8Very low83 Ų83139 Ų13969%0.68680%0.795SS**  trans-76.2108.3174.100000109.5L13L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.32Å
16Q43Very low37.8Very low171 Ų171141.5 Ų141.580%0.79980%0.796SS**  trans-63.8135.5161.4-67178.4-30.400109.6L14L14-Q16 PolarHBondContact O-N 2.49Å
17I39.3Very low37.4Very low161 Ų161141.5 Ų141.583%0.82680%0.798SS**  trans-127.398.3151.3-64.8-179.1000107.3
18M35.5Very low37.6Very low178 Ų178140.9 Ų140.988%0.87780%0.795SS**  trans-75.3122.5156.6-75.5-93.6-110.500107.4
19A35.7Very low37.1Very low95 Ų95141.6 Ų141.679%0.78580%0.8SS**  trans-120.8109158.400000107.5
20Q39.2Very low36.8Very low179 Ų179145.6 Ų145.684%0.83681%0.812SS**  trans-63.8146.7172.6-75162.8-74.100111.4
21F28.4Very low36.8Very low213 Ų213141.5 Ų141.593%0.93481%0.814SS**  -171.6109.1127.8-116.4-87.2000105.8
22G28.1Very low36.4Very low72 Ų72138.4 Ų138.474%0.74281%0.812SS**  103.410685.200000107.9
23G33.5Very low36.4Very low76 Ų76140.4 Ų140.478%0.78481%0.812SS**  trans-73.5147.2-172.400000114.7
24L29.6Very low36Very low176 Ų176140.5 Ų140.592%0.92181%0.812SS**  trans-172.7160.4137.5-121.688.6000108.7
25P37.6Very low35.7Very low107 Ų107138.3 Ų138.370%0.69581%0.807SS**  trans-85.3154.8-155.435.4-36.9000115.3
26V39Very low35.8Very low123 Ų123140.4 Ų140.475%0.74581%0.811SS**  trans10.9133.1153.6-173.40000117.8
27P31.9Very low35.6Very low125 Ų125138.5 Ų138.581%0.81281%0.806SS**  -120.2144.6125.611.48.5000112.3
28L42.4Very low36Very low149 Ų149135.4 Ų135.478%0.7880%0.796SS**  trans-50.8160169.2-122.573000112.6
29D38.1Very low36.8Very low145 Ų145132.7 Ų132.778%0.77579%0.792SS**  trans83.799.2168.3-72.6-40.9000118.3
30Q34.4Very low37.4Very low182 Ų182135.6 Ų135.685%0.8579%0.794SS**  -169.7101.3129.9-101.1160.511.400110.3L32Q30-L32 PolarHBondContact O-N 3.16Å; Q30-L32 VanDerWaalsContact O-N 3.13Å
31A38Very low38.1Very low108 Ų108132.9 Ų132.989%0.89379%0.791SS**  trans-67.7101.4166.800000109.5
32L30.6Very low39.5Very low153 Ų153126.8 Ų126.880%0.80177%0.768SS**  trans-80.8129.3164.2-94.8135.9000108.8Q30 L34Q30-L32 PolarHBondContact O-N 3.16Å; Q30-L32 VanDerWaalsContact O-N 3.13Å; L32-L34 PolarHBondContact O-N 2.94Å
33P37.9Very low41.3Very low112 Ų112126.8 Ų126.873%0.72776%0.756SS**  trans-69127.9179.427.9-30.8000109.3T35P33-T35 PolarHBondContact O-N 3.09Å; P33-T35 VanDerWaalsContact O-N 3.08Å
34L31.9Very low42.6Very low165 Ų165126.4 Ų126.486%0.86474%0.74SS**  trans-56.4112.5168.5-70.9162.9000108.2L32 V36L32-L34 PolarHBondContact O-N 2.94Å; L34-V36 VanDerWaalsContact C-N 3.3Å; L34-V36 PolarHBondContact O-N 3.19Å
35T34.4Very low44.3Very low132 Ų132122 Ų12281%0.8172%0.721SS**  trans-60.596.7167.8-51.60000107.6P33 N37P33-T35 PolarHBondContact O-N 3.09Å; P33-T35 VanDerWaalsContact O-N 3.08Å; T35-N37 VanDerWaalsContact C-N 3.33Å; T35-N37 PolarHBondContact O-N 3.18Å
36V44.5Very low46.4Very low126 Ų126118 Ų11876%0.76470%0.699SS**  trans-65.8100.5166.6-179.70000105.4L34 P38L34-V36 VanDerWaalsContact C-N 3.3Å; L34-V36 PolarHBondContact O-N 3.19Å; V36-P38 WeakPolarHBondContact O-CD 3.2Å
37N37.5Very low48.7Very low131 Ų131112.6 Ų112.670%0.70167%0.666SS**PPolyproline II helixtrans-58.1121.2171.8-143.228.3000106.6T35T35-N37 VanDerWaalsContact C-N 3.33Å; T35-N37 PolarHBondContact O-N 3.18Å
38P47.1Very low51.5Low96 Ų96107.3 Ų107.362%0.62363%0.633SS**PPolyproline II helixtrans-58.5139.9176.6-19.430.1000108.9V36 L40V36-P38 WeakPolarHBondContact O-CD 3.2Å; P38-L40 PolarHBondContact O-N 3.23Å; P38-L40 VanDerWaalsContact O-N 3.15Å
39P53.4Low53.8Low121 Ų121101.7 Ų101.779%0.78661%0.61SS**PPolyproline II helixtrans-54.8125.6169.822.8-30.9000108.1
40L48.9Very low56.5Low157 Ų15796.7 Ų96.782%0.82259%0.587SS**PPolyproline II helixtrans-51.8131177-79.2138000108.8P38 L42P38-L40 PolarHBondContact O-N 3.23Å; P38-L40 VanDerWaalsContact O-N 3.15Å; L40-L42 PolarHBondContact O-N 3.32Å
41P52.9Low59.4Low121 Ų12188 Ų8879%0.78655%0.546SS*.PPolyproline II helixtrans-58.2125.5177.522.2-30.5000108.9S43P41-S43 PolarHBondContact O-N 2.75Å
42L58.3Low62.1Low86 Ų8684.1 Ų84.145%0.4551%0.511SS..PPolyproline II helixtrans-54.1122.9175.3-81.8147.7000108.2L40 L47L40-L42 PolarHBondContact O-N 3.32Å; L42-L47 HydrophobicContact CB-CD2 3.87Å; L42-L47 HydrophobicContact CB-CG 4.22Å; L42-L47 HydrophobicContact CD1-CD2 4.03Å; L42-L47 HydrophobicContact CG-CD2 4.46Å
43S64.6Low65.2Low71 Ų7181.6 Ų81.650%0.49750%0.499SS..PPolyproline II helixtrans-60.7149.6171.958.10000109.2P41 T45 G46 L47P41-S43 PolarHBondContact O-N 2.75Å; S43-T45 PolarHBondContact O-N 3.4Å; S43-T45 VanDerWaalsContact O-N 3.13Å; S43-G46 VanDerWaalsContact O-CA 3.31Å; S43-G46 WeakPolarHBondContact O-CA 3.37Å; S43-G46 PolarHBondContact O-N 2.98Å; S43-G46 PolarHBondContact OG-N 3.12Å; S43-L47 PolarHBondContact O-N 3.2Å
44P61.3Low68Low69 Ų6977.6 Ų77.645%0.44848%0.476SS..Hα-helixtrans-53.3-37.7-178.7-27.634.2000113.3G46 L47 F251P44-G46 VanDerWaalsContact C-N 3.32Å; P44-G46 PolarHBondContact O-N 3.37Å; P44-L47 PolarHBondContact O-N 2.81Å; P44-F251 HydrophobicContact CB-CB 3.86Å
45T64.9Low71Confident82 Ų8270 Ų7050%0.50344%0.436SS..Hα-helixtrans-66.7-33174.4-440000112.6S43 L47 G49 I253S43-T45 PolarHBondContact O-N 3.4Å; S43-T45 VanDerWaalsContact O-N 3.13Å; T45-L47 VanDerWaalsContact C-N 3.32Å; T45-L47 PolarHBondContact O-N 3.41Å; T45-G49 PolarHBondContact O-N 2.91Å; T45-I253 HydrophobicContact CG2-CD1 3.98Å; T45-I253 WeakPolarHBondContact OG1-CD1 3.14Å
46G82.3Confident74Confident23 Ų2365.1 Ų65.124%0.23741%0.407CS..Hα-helixtrans-66.8-30.6175.400000113.3S43 P44 S50S43-G46 VanDerWaalsContact O-CA 3.31Å; S43-G46 WeakPolarHBondContact O-CA 3.37Å; S43-G46 PolarHBondContact O-N 2.98Å; S43-G46 PolarHBondContact OG-N 3.12Å; P44-G46 VanDerWaalsContact C-N 3.32Å; P44-G46 PolarHBondContact O-N 3.37Å; G46-S50 VanDerWaalsContact O-CB 3.26Å; G46-S50 WeakPolarHBondContact O-CB 3.49Å; G46-S50 PolarHBondContact O-N 3.34Å; G46-S50 PolarHBondContact O-OG 2.79Å
47L87.8Confident76.6Confident11 Ų1164 Ų646%0.05840%0.397CS..Hα-helixtrans-66.4-45177.5-68.1173.2000112.1L42 S43 P44 T45 S50 L51 L237 D240 M244 F251L42-L47 HydrophobicContact CB-CD2 3.87Å; L42-L47 HydrophobicContact CB-CG 4.22Å; L42-L47 HydrophobicContact CD1-CD2 4.03Å; L42-L47 HydrophobicContact CG-CD2 4.46Å; S43-L47 PolarHBondContact O-N 3.2Å; P44-L47 PolarHBondContact O-N 2.81Å; T45-L47 VanDerWaalsContact C-N 3.32Å; T45-L47 PolarHBondContact O-N 3.41Å; L47-S50 PolarHBondContact O-N 2.88Å; L47-L51 PolarHBondContact O-N 2.98Å; L47-L237 HydrophobicContact CD2-CD1 4.16Å; L47-D240 HydrophobicContact CD2-CB 4.01Å; L47-M244 HydrophobicContact CD1-CG 4.35Å; L47-F251 HydrophobicContact CB-CD2 4.07Å; L47-F251 HydrophobicContact CB-CE2 4.3Å
48A90.2Very high79.4Confident14 Ų1458.5 Ų58.512%0.11637%0.37CS..Hα-helixtrans-59.5-49178.200000111.6L51 T52 L119 F251 V252A48-L51 PolarHBondContact O-N 2.94Å; A48-T52 PolarHBondContact O-N 2.9Å; A48-T52 VanDerWaalsContact O-N 3.09Å; A48-T52 PolarHBondContact O-OG1 2.94Å; A48-L119 HydrophobicContact CB-CD2 3.87Å; A48-F251 HydrophobicContact CB-CD2 4.16Å; A48-F251 HydrophobicContact CB-CE2 4.26Å; A48-V252 HydrophobicContact CB-CG2 4.2Å
49G91.5Very high81.8Confident30 Ų3054 Ų5431%0.30934%0.341SS..Hα-helixtrans-66.6-35.3176.900000113.4T45 T52 N53T45-G49 PolarHBondContact O-N 2.91Å; G49-T52 WeakPolarHBondContact CA-OG1 3.5Å; G49-T52 PolarHBondContact O-OG1 2.78Å; G49-N53 VanDerWaalsContact O-CB 3.29Å; G49-N53 WeakPolarHBondContact O-CB 3.44Å; G49-N53 PolarHBondContact O-N 3.23Å; G49-N53 PolarHBondContact O-ND2 2.93Å; G49-N53 VanDerWaalsContact O-ND2 3.11Å
50S94.1Very high83.9Confident40 Ų4051.8 Ų51.828%0.2832%0.322SS..Hα-helixtrans-66.3-39.4175.6-60.10000111.6G46 L47 A54G46-S50 VanDerWaalsContact O-CB 3.26Å; G46-S50 WeakPolarHBondContact O-CB 3.49Å; G46-S50 PolarHBondContact O-N 3.34Å; G46-S50 PolarHBondContact O-OG 2.79Å; L47-S50 PolarHBondContact O-N 2.88Å; S50-A54 VanDerWaalsContact O-CB 3.26Å; S50-A54 WeakPolarHBondContact O-CB 3.3Å; S50-A54 PolarHBondContact O-N 2.92Å
51L94.4Very high86.2Confident0 Ų049.3 Ų49.30%032%0.318CS..Hα-helixtrans-63.2-50.9175.2179.262.6000111.7L47 A48 N53 A54 L55 L119 L128 I162 L233 I241L47-L51 PolarHBondContact O-N 2.98Å; A48-L51 PolarHBondContact O-N 2.94Å; L51-N53 VanDerWaalsContact C-N 3.29Å; L51-N53 PolarHBondContact O-N 2.85Å; L51-A54 PolarHBondContact O-N 3.29Å; L51-L55 HydrophobicContact CD1-CD1 3.87Å; L51-L55 HydrophobicContact CD1-CG 3.97Å; L51-L55 HydrophobicContact CD2-CD1 4.47Å; L51-L55 HydrophobicContact CG-CD1 3.86Å; L51-L55 HydrophobicContact CG-CG 4.34Å; L51-L55 WeakPolarHBondContact O-CB 3.44Å; L51-L55 WeakPolarHBondContact O-CG 3.11Å; L51-L55 PolarHBondContact O-N 2.87Å; L51-L119 HydrophobicContact CD2-CD1 4.1Å; L51-L119 HydrophobicContact CD2-CD2 4.19Å; L51-L128 HydrophobicContact CD2-CD1 3.54Å; L51-I162 HydrophobicContact CD2-CD1 4.34Å; L51-L233 HydrophobicContact CD1-CD1 3.86Å; L51-I241 HydrophobicContact CB-CD1 3.72Å; L51-I241 HydrophobicContact CD1-CD1 3.8Å; L51-I241 HydrophobicContact CD2-CD1 4.11Å; L51-I241 HydrophobicContact CG-CD1 4.06Å
52T95.4Very high88.2Confident26 Ų2645.2 Ų45.216%0.1630%0.298CS..Hα-helixtrans-62.1-39.7-179.352.70000111.3A48 G49 S56 L117 L119A48-T52 PolarHBondContact O-N 2.9Å; A48-T52 VanDerWaalsContact O-N 3.09Å; A48-T52 PolarHBondContact O-OG1 2.94Å; G49-T52 WeakPolarHBondContact CA-OG1 3.5Å; G49-T52 PolarHBondContact O-OG1 2.78Å; T52-S56 VanDerWaalsContact O-CB 3.23Å; T52-S56 WeakPolarHBondContact O-CB 3.38Å; T52-S56 PolarHBondContact O-N 3.32Å; T52-L117 HydrophobicContact CG2-CB 4.39Å; T52-L119 HydrophobicContact CG2-CB 3.76Å; T52-L119 HydrophobicContact CG2-CD2 4.15Å; T52-L119 HydrophobicContact CG2-CG 4.46Å
53N95.7Very high90Very high100 Ų10042.6 Ų42.654%0.53529%0.292SS..Hα-helixtrans-64.5-46.2174.7-72.1-23.4000112.1G49 L51 S56 N57G49-N53 VanDerWaalsContact O-CB 3.29Å; G49-N53 WeakPolarHBondContact O-CB 3.44Å; G49-N53 PolarHBondContact O-N 3.23Å; G49-N53 PolarHBondContact O-ND2 2.93Å; G49-N53 VanDerWaalsContact O-ND2 3.11Å; L51-N53 VanDerWaalsContact C-N 3.29Å; L51-N53 PolarHBondContact O-N 2.85Å; N53-S56 PolarHBondContact O-N 2.86Å; N53-N57 VanDerWaalsContact O-CB 3.28Å; N53-N57 WeakPolarHBondContact O-CB 3.47Å; N53-N57 PolarHBondContact O-N 3Å; N53-N57 PolarHBondContact O-ND2 2.88Å
54A96Very high91.6Very high29 Ų2939.2 Ų39.224%0.2427%0.268CS..Hα-helixtrans-63-42.9178.500000111.8S50 L51 G58 L233 L237S50-A54 VanDerWaalsContact O-CB 3.26Å; S50-A54 WeakPolarHBondContact O-CB 3.3Å; S50-A54 PolarHBondContact O-N 2.92Å; L51-A54 PolarHBondContact O-N 3.29Å; A54-G58 PolarHBondContact O-N 3.42Å; A54-L233 HydrophobicContact CB-CD2 3.61Å; A54-L237 HydrophobicContact CB-CD2 3.95Å
55L96.7Very high93.3Very high5 Ų538.7 Ų38.73%0.02626%0.261CS..Hα-helixtrans-64.5-47.7175.7-73.4174.5000111.9L51 N57 G58 L59 L117 V130 I162 V229 L230L51-L55 HydrophobicContact CD1-CD1 3.87Å; L51-L55 HydrophobicContact CD1-CG 3.97Å; L51-L55 HydrophobicContact CD2-CD1 4.47Å; L51-L55 HydrophobicContact CG-CD1 3.86Å; L51-L55 HydrophobicContact CG-CG 4.34Å; L51-L55 WeakPolarHBondContact O-CB 3.44Å; L51-L55 WeakPolarHBondContact O-CG 3.11Å; L51-L55 PolarHBondContact O-N 2.87Å; L55-N57 PolarHBondContact O-N 2.97Å; L55-G58 PolarHBondContact O-N 3.36Å; L55-L59 WeakPolarHBondContact O-CB 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-L59 PolarHBondContact O-N 3.2Å; L55-L117 HydrophobicContact CB-CD1 3.7Å; L55-V130 HydrophobicContact CD1-CG1 4.2Å; L55-V130 HydrophobicContact CD1-CG2 3.9Å; L55-I162 HydrophobicContact CD1-CD1 4.1Å; L55-V229 HydrophobicContact CD2-CG1 3.98Å; L55-L230 HydrophobicContact CD2-CD2 3.78Å; L55-L230 HydrophobicContact CD2-CG 4.15Å
56S97.5Very high94.8Very high29 Ų2936.2 Ų36.220%0.20325%0.252CS..Hα-helixtrans-60.1-48.7179.2-176.10000111.1T52 N53 G58 L59 L60T52-S56 VanDerWaalsContact O-CB 3.23Å; T52-S56 WeakPolarHBondContact O-CB 3.38Å; T52-S56 PolarHBondContact O-N 3.32Å; N53-S56 PolarHBondContact O-N 2.86Å; S56-G58 PolarHBondContact O-N 3.14Å; S56-L59 PolarHBondContact O-N 3.38Å; S56-L60 WeakPolarHBondContact O-CG 3.47Å; S56-L60 PolarHBondContact O-N 3.45Å
57N97.4Very high95.4Very high104 Ų10437.8 Ų37.856%0.55625%0.254SS*.Hα-helixtrans-63.6-41177.4-70.5-25.1000112.1N53 L55 L60 S61N53-N57 VanDerWaalsContact O-CB 3.28Å; N53-N57 WeakPolarHBondContact O-CB 3.47Å; N53-N57 PolarHBondContact O-N 3Å; N53-N57 PolarHBondContact O-ND2 2.88Å; L55-N57 PolarHBondContact O-N 2.97Å; N57-L60 PolarHBondContact O-N 3.22Å; N57-S61 VanDerWaalsContact O-CB 3.29Å; N57-S61 WeakPolarHBondContact O-CB 3.39Å; N57-S61 PolarHBondContact O-N 2.81Å; N57-S61 PolarHBondContact O-OG 2.84Å
58G97.1Very high95.7Very high14 Ų1437.3 Ų37.314%0.14425%0.252CS..Hα-helixtrans-65.1-39.8177.100000113A54 L55 S56 S61 G62 V229A54-G58 PolarHBondContact O-N 3.42Å; L55-G58 PolarHBondContact O-N 3.36Å; S56-G58 PolarHBondContact O-N 3.14Å; G58-S61 WeakPolarHBondContact CA-OG 3.32Å; G58-S61 PolarHBondContact O-OG 3.05Å; G58-G62 WeakPolarHBondContact O-CA 3.45Å; G58-G62 PolarHBondContact O-N 3.4Å; G58-V229 WeakPolarHBondContact O-CG2 3.49Å
59L97.8Very high95.9Very high2 Ų240.8 Ų40.81%0.0127%0.266CS..Hα-helixtrans-64.1-45174.9-73.5168.9000111.2L55 S56 G63 L64 L114 L117 I132 L225 V226L55-L59 WeakPolarHBondContact O-CB 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.34Å; L55-L59 PolarHBondContact O-N 3.2Å; S56-L59 PolarHBondContact O-N 3.38Å; L59-G63 PolarHBondContact O-N 2.91Å; L59-L64 HydrophobicContact CB-CB 4.37Å; L59-L64 HydrophobicContact CB-CD2 3.99Å; L59-L64 WeakPolarHBondContact O-CB 3.34Å; L59-L64 PolarHBondContact O-N 3.22Å; L59-L114 HydrophobicContact CB-CD2 4.16Å; L59-L114 HydrophobicContact CD1-CD2 4.26Å; L59-L117 HydrophobicContact CD1-CD1 4.49Å; L59-I132 HydrophobicContact CD1-CD1 4.25Å; L59-I132 HydrophobicContact CD1-CG2 4.15Å; L59-L225 HydrophobicContact CD2-CD2 3.84Å; L59-L225 HydrophobicContact CD2-CG 3.97Å; L59-V226 HydrophobicContact CD2-CG2 3.89Å
60L97.6Very high96Very high75 Ų7545.6 Ų45.639%0.39328%0.284SS..Hα-helixtrans-66.5-45.6178.5-68.2174.8000112S56 N57 G62 G63 L65 L114S56-L60 WeakPolarHBondContact O-CG 3.47Å; S56-L60 PolarHBondContact O-N 3.45Å; N57-L60 PolarHBondContact O-N 3.22Å; L60-G62 VanDerWaalsContact C-N 3.34Å; L60-G63 PolarHBondContact O-N 2.76Å; L60-G63 VanDerWaalsContact O-N 3.12Å; L60-L65 HydrophobicContact CD2-CD1 3.99Å; L60-L65 HydrophobicContact CD2-CD2 4.12Å; L60-L65 HydrophobicContact CD2-CG 3.88Å; L60-L114 HydrophobicContact CD2-CB 4.17Å; L60-L114 HydrophobicContact CD2-CD2 4.15Å; L60-L114 HydrophobicContact CG-CD2 4.06Å
61S97.3Very high95.8Very high104 Ų10444.3 Ų44.373%0.72727%0.274SS*.Hα-helixtrans-69.9-32179.367.90000112.6N57 G58 G63N57-S61 VanDerWaalsContact O-CB 3.29Å; N57-S61 WeakPolarHBondContact O-CB 3.39Å; N57-S61 PolarHBondContact O-N 2.81Å; N57-S61 PolarHBondContact O-OG 2.84Å; G58-S61 WeakPolarHBondContact CA-OG 3.32Å; G58-S61 PolarHBondContact O-OG 3.05Å; S61-G63 PolarHBondContact O-N 2.95Å
62G95.1Very high95.4Very high35 Ų3546.8 Ų46.836%0.36129%0.291SS..THydrogen-bonded Turntrans-73.77.1170.700000114.1G58 L60G58-G62 WeakPolarHBondContact O-CA 3.45Å; G58-G62 PolarHBondContact O-N 3.4Å; L60-G62 VanDerWaalsContact C-N 3.34Å
63G96.2Very high94.8Very high32 Ų3245.7 Ų45.733%0.3328%0.284SS..THydrogen-bonded Turntrans81.321.8169.200000114.9L59 L60 S61 L65 G66 I67L59-G63 PolarHBondContact O-N 2.91Å; L60-G63 PolarHBondContact O-N 2.76Å; L60-G63 VanDerWaalsContact O-N 3.12Å; S61-G63 PolarHBondContact O-N 2.95Å; G63-L65 PolarHBondContact O-N 2.79Å; G63-L65 VanDerWaalsContact O-N 3.12Å; G63-G66 PolarHBondContact O-N 2.97Å; G63-I67 WeakPolarHBondContact O-CG1 3.3Å; G63-I67 PolarHBondContact O-N 2.95Å
64L97.2Very high93.7Very high0 Ų042.4 Ų42.40%027%0.266CS..Hα-helixtrans-45.3-46.8179.2173.164.5000112.7L59 G66 I67 L68 L114 L134 V222 L225L59-L64 HydrophobicContact CB-CB 4.37Å; L59-L64 HydrophobicContact CB-CD2 3.99Å; L59-L64 WeakPolarHBondContact O-CB 3.34Å; L59-L64 PolarHBondContact O-N 3.22Å; L64-G66 PolarHBondContact O-N 2.77Å; L64-I67 WeakPolarHBondContact O-CB 3.37Å; L64-I67 PolarHBondContact O-N 3.35Å; L64-L68 HydrophobicContact CD1-CD1 4.14Å; L64-L68 HydrophobicContact CD1-CG 4.17Å; L64-L68 HydrophobicContact CG-CD1 4.18Å; L64-L68 WeakPolarHBondContact O-CG 3.3Å; L64-L68 PolarHBondContact O-N 3.23Å; L64-L114 HydrophobicContact CD2-CB 4.21Å; L64-L114 HydrophobicContact CD2-CD1 4.05Å; L64-L114 HydrophobicContact CD2-CD2 4.05Å; L64-L114 HydrophobicContact CD2-CG 4.33Å; L64-L134 HydrophobicContact CD2-CD2 3.87Å; L64-V222 HydrophobicContact CD1-CG2 3.72Å; L64-L225 HydrophobicContact CB-CD2 3.78Å; L64-L225 HydrophobicContact CD1-CD2 4.18Å
65L96.8Very high92.4Very high58 Ų5846.4 Ų46.430%0.30428%0.283SS..Hα-helixtrans-64.7-42.2-177.3-57.8-169.4000112L60 G63 I67 L68 E69 P112L60-L65 HydrophobicContact CD2-CD1 3.99Å; L60-L65 HydrophobicContact CD2-CD2 4.12Å; L60-L65 HydrophobicContact CD2-CG 3.88Å; G63-L65 PolarHBondContact O-N 2.79Å; G63-L65 VanDerWaalsContact O-N 3.12Å; L65-I67 VanDerWaalsContact C-N 3.34Å; L65-L68 PolarHBondContact O-N 2.74Å; L65-E69 PolarHBondContact O-N 2.8Å; L65-P112 HydrophobicContact CB-CB 4.31Å; L65-P112 HydrophobicContact CB-CG 3.94Å; L65-P112 HydrophobicContact CD2-CB 4.15Å; L65-P112 WeakPolarHBondContact O-CG 3.48Å
66G95.9Very high90.9Very high30 Ų3048.3 Ų48.331%0.30929%0.293SS..Hα-helixtrans-67.6-34.8175.300000112.5G63 L64 L68 E69 N70G63-G66 PolarHBondContact O-N 2.97Å; L64-G66 PolarHBondContact O-N 2.77Å; G66-L68 VanDerWaalsContact C-N 3.35Å; G66-E69 PolarHBondContact O-N 2.87Å; G66-N70 PolarHBondContact O-N 2.8Å; G66-N70 VanDerWaalsContact O-N 3.13Å; G66-N70 PolarHBondContact O-ND2 2.96Å
67I94.9Very high89.3Confident55 Ų5548.1 Ų48.128%0.28229%0.289SS..Hα-helixtrans-63.3-42.5173.8-69.7165.8000110.8G63 L64 L65 K221 L225G63-I67 WeakPolarHBondContact O-CG1 3.3Å; G63-I67 PolarHBondContact O-N 2.95Å; L64-I67 WeakPolarHBondContact O-CB 3.37Å; L64-I67 PolarHBondContact O-N 3.35Å; L65-I67 VanDerWaalsContact C-N 3.34Å; I67-K221 HydrophobicContact CG2-CB 3.6Å; I67-K221 HydrophobicContact CG2-CD 4.37Å; I67-K221 HydrophobicContact CG2-CG 4.07Å; I67-L225 HydrophobicContact CD1-CD2 4.12Å
68L95.1Very high87.4Confident1 Ų148.5 Ų48.51%0.00529%0.286CS..Hα-helixtrans-67.9-39.7176.6-67.7175.6000112.1L64 L65 G66 N70 L71 V109 P112 L134 I136 V218L64-L68 HydrophobicContact CD1-CD1 4.14Å; L64-L68 HydrophobicContact CD1-CG 4.17Å; L64-L68 HydrophobicContact CG-CD1 4.18Å; L64-L68 WeakPolarHBondContact O-CG 3.3Å; L64-L68 PolarHBondContact O-N 3.23Å; L65-L68 PolarHBondContact O-N 2.74Å; G66-L68 VanDerWaalsContact C-N 3.35Å; L68-N70 VanDerWaalsContact C-N 3.26Å; L68-N70 PolarHBondContact O-N 2.83Å; L68-L71 HydrophobicContact CD2-CD1 4.14Å; L68-L71 WeakPolarHBondContact O-CD1 3.42Å; L68-L71 VanDerWaalsContact O-CG 3.29Å; L68-L71 WeakPolarHBondContact O-CG 3.35Å; L68-L71 PolarHBondContact O-N 3.3Å; L68-V109 WeakPolarHBondContact O-CG1 3.37Å; L68-P112 HydrophobicContact CB-CB 3.97Å; L68-P112 HydrophobicContact CD1-CB 4.28Å; L68-L134 HydrophobicContact CD1-CD2 4.22Å; L68-I136 HydrophobicContact CB-CG2 4.22Å; L68-I136 HydrophobicContact CD1-CG2 4.24Å; L68-V218 HydrophobicContact CD2-CG1 4.05Å; L68-V218 HydrophobicContact CD2-CG2 4.33Å
69E94.6Very high85.1Confident88 Ų8851.8 Ų51.841%0.41131%0.305SS..Hα-helixtrans-63.3-33.6178.4-164.7175-177.100112.3L65 G66L65-E69 PolarHBondContact O-N 2.8Å; G66-E69 PolarHBondContact O-N 2.87Å
70N92.3Very high82.5Confident130 Ų13055.5 Ų55.570%0.69534%0.343SS*.THydrogen-bonded Turntrans-99.526.1-176.8-65.8-73.5000113.6G66 L68G66-N70 PolarHBondContact O-N 2.8Å; G66-N70 VanDerWaalsContact O-N 3.13Å; G66-N70 PolarHBondContact O-ND2 2.96Å; L68-N70 VanDerWaalsContact C-N 3.26Å; L68-N70 PolarHBondContact O-N 2.83Å
71L89.9Confident79.5Confident13 Ų1356.1 Ų56.17%0.06837%0.368CS..  trans-64.8133.9175.5-73.3171000110.9L68 L73 V109 L214 V218 K221L68-L71 HydrophobicContact CD2-CD1 4.14Å; L68-L71 WeakPolarHBondContact O-CD1 3.42Å; L68-L71 VanDerWaalsContact O-CG 3.29Å; L68-L71 WeakPolarHBondContact O-CG 3.35Å; L68-L71 PolarHBondContact O-N 3.3Å; L71-L73 HydrophobicContact CB-CD2 4.29Å; L71-L73 HydrophobicContact CB-CG 4.04Å; L71-L73 PolarHBondContact O-N 3.48Å; L71-V109 HydrophobicContact CB-CG2 4.4Å; L71-L214 HydrophobicContact CD1-CD1 4.41Å; L71-V218 HydrophobicContact CD1-CG2 3.94Å; L71-K221 HydrophobicContact CD2-CG 4.03Å
72P86.3Confident76.7Confident53 Ų5354 Ų5434%0.34436%0.363SS..  trans-78.653.6-176.934.1-37.5000112.2L74 I76P72-L74 VanDerWaalsContact C-N 3.34Å; P72-L74 PolarHBondContact O-N 3Å; P72-I76 HydrophobicContact CG-CD1 4.44Å; P72-I76 WeakPolarHBondContact O-CD1 3.43Å
73L82.9Confident73.9Confident2 Ų259.9 Ų59.91%0.0139%0.392CS..Hα-helixtrans-64.2-38.9-174.7-63.5179.8000112.2L71 I76 L77 I107 V109 L138 L214 L217L71-L73 HydrophobicContact CB-CD2 4.29Å; L71-L73 HydrophobicContact CB-CG 4.04Å; L71-L73 PolarHBondContact O-N 3.48Å; L73-I76 PolarHBondContact O-N 3.06Å; L73-L77 WeakPolarHBondContact O-CB 3.13Å; L73-L77 WeakPolarHBondContact O-CD1 3.23Å; L73-L77 WeakPolarHBondContact O-CG 3.18Å; L73-L77 PolarHBondContact O-N 3.47Å; L73-L77 VanDerWaalsContact O-N 3.14Å; L73-I107 HydrophobicContact CB-CG2 4.22Å; L73-I107 HydrophobicContact CD1-CG2 4.05Å; L73-V109 HydrophobicContact CD1-CG2 3.48Å; L73-V109 VanDerWaalsContact CD1-CG2 3.48Å; L73-V109 HydrophobicContact CG-CG2 4.35Å; L73-L138 HydrophobicContact CD1-CD2 3.48Å; L73-L138 VanDerWaalsContact CD1-CD2 3.48Å; L73-L214 HydrophobicContact CD1-CD1 4.45Å; L73-L214 HydrophobicContact CD2-CD1 3.6Å; L73-L217 HydrophobicContact CD2-CD1 3.66Å
74L73.8Confident71.4Confident32 Ų3262.7 Ų62.717%0.16841%0.407CS..Hα-helixtrans-64-44.6-179.9-82.4-173.1000114.2P72 I76 L77 K78 I104 D106 I107P72-L74 VanDerWaalsContact C-N 3.34Å; P72-L74 PolarHBondContact O-N 3Å; L74-I76 PolarHBondContact O-N 2.9Å; L74-I76 VanDerWaalsContact O-N 3.16Å; L74-L77 CarbonylContact O-C 3.53Å; L74-L77 PolarHBondContact O-N 3.31Å; L74-K78 PolarHBondContact O-N 3.49Å; L74-I104 HydrophobicContact CD2-CG2 4.1Å; L74-D106 HydrophobicContact CD1-CB 4.23Å; L74-D106 WeakPolarHBondContact CD1-OD1 3.48Å; L74-I107 HydrophobicContact CD2-CB 3.74Å; L74-I107 HydrophobicContact CD2-CD1 4.08Å; L74-I107 HydrophobicContact CD2-CG1 3.72Å; L74-I107 HydrophobicContact CG-CB 4.12Å
75D68.6Low68.7Low113 Ų11367.2 Ų67.260%0.60445%0.453SS*.Hα-helixtrans-64.2-24.5-176-67.2-26.7000111.2
76I65.7Low66.2Low45 Ų4566.5 Ų66.523%0.23146%0.46CS..Hα-helixtrans-89-20.4177.6-57.6160.9000111.7P72 L73 L74 L92 V213 L217P72-I76 HydrophobicContact CG-CD1 4.44Å; P72-I76 WeakPolarHBondContact O-CD1 3.43Å; L73-I76 PolarHBondContact O-N 3.06Å; L74-I76 PolarHBondContact O-N 2.9Å; L74-I76 VanDerWaalsContact O-N 3.16Å; I76-L92 WeakPolarHBondContact O-CD2 3.48Å; I76-V213 HydrophobicContact CB-CG1 4.16Å; I76-V213 HydrophobicContact CD1-CG1 4.09Å; I76-V213 HydrophobicContact CG2-CB 4.25Å; I76-V213 HydrophobicContact CG2-CG1 3.44Å; I76-V213 VanDerWaalsContact CG2-CG1 3.44Å; I76-V213 HydrophobicContact CG2-CG2 3.76Å; I76-L217 HydrophobicContact CD1-CD1 3.37Å; I76-L217 HydrophobicContact CD1-CD2 3.46Å; I76-L217 VanDerWaalsContact CD1-CD2 3.46Å; I76-L217 HydrophobicContact CD1-CG 3.86Å
77L62.8Low64Low24 Ų2473 Ų7313%0.12649%0.487CS..Hα-helixtrans-94.3-14.9177.7-68.9167.8000113.2L73 L74 L92 I107 L206 I209 L210L73-L77 WeakPolarHBondContact O-CB 3.13Å; L73-L77 WeakPolarHBondContact O-CD1 3.23Å; L73-L77 WeakPolarHBondContact O-CG 3.18Å; L73-L77 PolarHBondContact O-N 3.47Å; L73-L77 VanDerWaalsContact O-N 3.14Å; L74-L77 CarbonylContact O-C 3.53Å; L74-L77 PolarHBondContact O-N 3.31Å; L77-L92 WeakPolarHBondContact O-CD2 3.41Å; L77-I107 HydrophobicContact CD1-CD1 3.13Å; L77-I107 HydrophobicContact CG-CD1 4.4Å; L77-L206 HydrophobicContact CD1-CD1 4.16Å; L77-L206 HydrophobicContact CD2-CD1 4.33Å; L77-I209 HydrophobicContact CD2-CB 3.99Å; L77-I209 HydrophobicContact CD2-CD1 4.23Å; L77-I209 HydrophobicContact CD2-CG2 3.42Å; L77-I209 VanDerWaalsContact CD2-CG2 3.42Å; L77-L210 HydrophobicContact CD1-CD2 4.3Å
78K57.6Low61.8Low113 Ų11375 Ų7549%0.49150%0.498SS..SBendtrans-73132174.6-83.5177.5-178.2165.90111.5L74 G80 L92L74-K78 PolarHBondContact O-N 3.49Å; K78-G80 PolarHBondContact O-N 3.22Å; K78-L92 VanDerWaalsContact C-CD2 3.44Å; K78-L92 WeakPolarHBondContact O-CD2 3.31Å
79P48.5Very low59.3Low83 Ų8377.9 Ų77.954%0.53953%0.527SS..SBendtrans-66.3104.6172.129.4-35.6000110.3T96P79-T96 HydrophobicContact CB-CG2 4.4Å; P79-T96 HydrophobicContact CG-CG2 3.95Å
80G43.5Very low57Low79 Ų7977 Ų7781%0.81454%0.542SS*.  trans73.4103.7155.400000117.4K78K78-G80 PolarHBondContact O-N 3.22Å
81G35.1Very low55Low89 Ų8973.3 Ų73.392%0.91852%0.522SS*.  trans-159.39159.200000114.6
82G37.4Very low53.1Low60 Ų6074.3 Ų74.362%0.61953%0.527SS*.SBendtrans-126.7131.8-179.500000110.8S84G82-S84 PolarHBondContact O-N 3.48Å
83T37.3Very low51.3Low157 Ų15774 Ų7496%0.96353%0.534SS*.  trans-72.536.3-173.750.90000114.7
84S43.6Very low49.8Very low91 Ų9180.8 Ų80.864%0.63656%0.563SS**  trans-10288.6177.548.30000110.6G82 G86G82-S84 PolarHBondContact O-N 3.48Å; S84-G86 PolarHBondContact O-N 3.49Å
85G39.9Very low48.7Very low95 Ų9580.3 Ų80.398%0.97956%0.561SS**  trans-67.657.916900000113.1
86G44.2Very low47.7Very low43 Ų4378 Ų7844%0.44355%0.551SS.*SBendtrans-124168.2173.700000111.1S84 L88 G89S84-G86 PolarHBondContact O-N 3.49Å; G86-L88 PolarHBondContact O-N 2.79Å; G86-G89 PolarHBondContact O-N 3.13Å
87L49.8Very low46.9Very low168 Ų16879.5 Ų79.588%0.8857%0.566SS**THydrogen-bonded Turntrans-36.9-19.1-171.8-161.164.3000118.3
88L48.3Very low46.3Very low96 Ų9681.2 Ų81.250%0.50358%0.577SS.*THydrogen-bonded Turntrans-75.7-26.3175-59.6176.9000113.6G86 G90 L91 L92G86-L88 PolarHBondContact O-N 2.79Å; L88-G90 VanDerWaalsContact C-N 3.25Å; L88-G90 PolarHBondContact O-N 3.18Å; L88-L91 PolarHBondContact O-N 3.18Å; L88-L92 WeakPolarHBondContact O-CD1 3.45Å
89G44Very low45.9Very low61 Ų6178.3 Ų78.363%0.62957%0.567SS**THydrogen-bonded Turntrans-65.3-22.7-179.900000114.8G86G86-G89 PolarHBondContact O-N 3.13Å
90G45.8Very low45.8Very low70 Ų7080 Ų8072%0.72258%0.578SS**THydrogen-bonded Turntrans-87.1-15.2179.700000114.8L88L88-G90 VanDerWaalsContact C-N 3.25Å; L88-G90 PolarHBondContact O-N 3.18Å
91L49.4Very low46.1Very low53 Ų5379.5 Ų79.528%0.27757%0.572SS.*THydrogen-bonded Turntrans-90.9-27.6-173.3-115.786.1000114.2L88 K94 K212L88-L91 PolarHBondContact O-N 3.18Å; L91-K94 PolarHBondContact O-N 2.94Å; L91-K212 HydrophobicContact CD2-CD 3.13Å; L91-K212 HydrophobicContact CD2-CG 4.46Å; L91-K212 HydrophobicContact CG-CD 4.44Å
92L50.7Low47Very low33 Ų3376.2 Ų76.217%0.17353%0.534CS..THydrogen-bonded Turntrans-77.5-20.1-176.2-90.7109.5000114.5I76 L77 K78 L88 K94I76-L92 WeakPolarHBondContact O-CD2 3.48Å; L77-L92 WeakPolarHBondContact O-CD2 3.41Å; K78-L92 VanDerWaalsContact C-CD2 3.44Å; K78-L92 WeakPolarHBondContact O-CD2 3.31Å; L88-L92 WeakPolarHBondContact O-CD1 3.45Å; L92-K94 PolarHBondContact O-N 3.43Å; L92-K94 VanDerWaalsContact O-N 3.1Å
93G49.6Very low48Very low47 Ų4778.7 Ų78.749%0.48553%0.533SS..Hα-helixtrans-62.4-15.7173.400000113.2S97G93-S97 WeakPolarHBondContact O-CB 3.43Å; G93-S97 PolarHBondContact O-N 2.95Å; G93-S97 PolarHBondContact O-OG 3.43Å; G93-S97 VanDerWaalsContact O-OG 3.04Å
94K49.8Very low49.4Very low144 Ų14472.9 Ų72.963%0.62650%0.495SS*.Hα-helixtrans-80.1-44.2-173.2-141.9174.4-178.2-175.30113.3L91 L92 T96 S97 V98L91-K94 PolarHBondContact O-N 2.94Å; L92-K94 PolarHBondContact O-N 3.43Å; L92-K94 VanDerWaalsContact O-N 3.1Å; K94-T96 PolarHBondContact O-N 3.36Å; K94-S97 WeakPolarHBondContact CA-OG 3.38Å; K94-S97 PolarHBondContact O-N 2.93Å; K94-S97 PolarHBondContact O-OG 3.12Å; K94-V98 HydrophobicContact CG-CG2 4.35Å; K94-V98 WeakPolarHBondContact O-CB 3.38Å; K94-V98 WeakPolarHBondContact O-CG2 3.03Å; K94-V98 PolarHBondContact O-N 2.74Å
95V51.3Low50.7Low22 Ų2273.3 Ų73.313%0.13349%0.489CS..Hα-helixtrans-65.1-43.7-177.71740000112.1S97 V98 I104 L202 I209V95-S97 VanDerWaalsContact C-N 3.29Å; V95-S97 PolarHBondContact O-N 2.04Å; V95-V98 PolarHBondContact O-N 2.68Å; V95-I104 HydrophobicContact CG1-CD1 4.31Å; V95-L202 HydrophobicContact CG1-CD1 4.4Å; V95-I209 HydrophobicContact CB-CD1 4.42Å; V95-I209 HydrophobicContact CG2-CD1 3.32Å; V95-I209 HydrophobicContact CG2-CG1 4.37Å
96T47.5Very low52.4Low64 Ų6471.4 Ų71.439%0.39346%0.457SS..Hα-helixtrans-72-23.1177.953.10000113.3P79 K94P79-T96 HydrophobicContact CB-CG2 4.4Å; P79-T96 HydrophobicContact CG-CG2 3.95Å; K94-T96 PolarHBondContact O-N 3.36Å
97S49.1Very low54.3Low77 Ų7769.8 Ų69.854%0.53844%0.438SS..Hα-helixtrans-82.8-24.6175.972.30000113.9G93 K94 V95G93-S97 WeakPolarHBondContact O-CB 3.43Å; G93-S97 PolarHBondContact O-N 2.95Å; G93-S97 PolarHBondContact O-OG 3.43Å; G93-S97 VanDerWaalsContact O-OG 3.04Å; K94-S97 WeakPolarHBondContact CA-OG 3.38Å; K94-S97 PolarHBondContact O-N 2.93Å; K94-S97 PolarHBondContact O-OG 3.12Å; V95-S97 VanDerWaalsContact C-N 3.29Å; V95-S97 PolarHBondContact O-N 2.04Å
98V49.6Very low56.2Low60 Ų6066.4 Ų66.436%0.36442%0.416SS..Hα-helixtrans-79.1-30.7-172.4169.20000112.1K94 V95K94-V98 HydrophobicContact CG-CG2 4.35Å; K94-V98 WeakPolarHBondContact O-CB 3.38Å; K94-V98 WeakPolarHBondContact O-CG2 3.03Å; K94-V98 PolarHBondContact O-N 2.74Å; V95-V98 PolarHBondContact O-N 2.68Å
99I50.2Low58.3Low53 Ų5361.9 Ų61.927%0.27239%0.393SS..SBendtrans-139105.7168.2-53.3172.4000109.9G101 L102 L202I99-G101 PolarHBondContact O-N 3.09Å; I99-L102 HydrophobicContact CB-CB 4.13Å; I99-L102 HydrophobicContact CB-CD1 3.85Å; I99-L102 HydrophobicContact CD1-CD1 3.38Å; I99-L102 HydrophobicContact CG1-CD1 4.16Å; I99-L102 HydrophobicContact CG2-CB 4.23Å; I99-L102 HydrophobicContact CG2-CD1 3.82Å; I99-L102 HydrophobicContact CG2-CG 4.36Å; I99-L102 PolarHBondContact O-N 3.48Å; I99-L202 HydrophobicContact CD1-CB 4.2Å
100P46.2Very low60.6Low118 Ų11860.1 Ų60.177%0.76637%0.37SS*.THydrogen-bonded Turntrans-56.7121.1172-19.430.2000110.2
101G48.5Very low62.9Low68 Ų6861 Ų6170%0.70136%0.358SS*.THydrogen-bonded Turntrans98.7-3.617600000116.5I99 N103I99-G101 PolarHBondContact O-N 3.09Å; G101-N103 PolarHBondContact O-N 3.49Å
102L54.5Low65.2Low21 Ų2159.5 Ų59.511%0.1135%0.351CS..  trans-87.193171.6-112164.5000110.1I99 T142 L144 L202I99-L102 HydrophobicContact CB-CB 4.13Å; I99-L102 HydrophobicContact CB-CD1 3.85Å; I99-L102 HydrophobicContact CD1-CD1 3.38Å; I99-L102 HydrophobicContact CG1-CD1 4.16Å; I99-L102 HydrophobicContact CG2-CB 4.23Å; I99-L102 HydrophobicContact CG2-CD1 3.82Å; I99-L102 HydrophobicContact CG2-CG 4.36Å; I99-L102 PolarHBondContact O-N 3.48Å; L102-T142 HydrophobicContact CD2-CG2 3.92Å; L102-L144 HydrophobicContact CD2-CD1 3.43Å; L102-L144 VanDerWaalsContact CD2-CD1 3.43Å; L102-L144 HydrophobicContact CG-CD1 3.78Å; L102-L202 HydrophobicContact CD1-CD2 4.11Å; L102-L202 HydrophobicContact CD2-CD2 4.18Å
103N59.7Low67.3Low112 Ų11263.1 Ų63.160%0.59937%0.368SS*.  trans-88.5120.3170-77.4-16.4000109.3G101 I105 P143G101-N103 PolarHBondContact O-N 3.49Å; N103-I105 PolarHBondContact O-N 2.84Å; N103-P143 HydrophobicContact CB-CG 4.47Å; N103-P143 WeakPolarHBondContact O-CD 2.98Å
104I66.4Low69.6Low34 Ų3462.4 Ų62.417%0.17435%0.352CS..  trans-71.5115.9166.1-61.7172.3000106.6L74 V95 I107 V140 L206L74-I104 HydrophobicContact CD2-CG2 4.1Å; V95-I104 HydrophobicContact CG1-CD1 4.31Å; I104-I107 HydrophobicContact CD1-CD1 4.4Å; I104-I107 HydrophobicContact CG2-CD1 3.75Å; I104-I107 HydrophobicContact CG2-CG1 3.63Å; I104-V140 HydrophobicContact CG1-CG1 4.32Å; I104-V140 HydrophobicContact CG2-CG1 3.9Å; I104-L206 HydrophobicContact CD1-CD1 4.4Å
105I70Confident71.8Confident100 Ų10059 Ų5951%0.51334%0.341SS..  trans-78-48.8179.1-64.2158.5000109N103 N141 P143N103-I105 PolarHBondContact O-N 2.84Å; I105-N141 PolarHBondContact N-O 2.75Å; I105-P143 HydrophobicContact CD1-CB 3.76Å; I105-P143 HydrophobicContact CD1-CG 4.13Å; I105-P143 HydrophobicContact CG1-CB 4.43Å; I105-P143 HydrophobicContact CG1-CG 4.33Å
106D75.9Confident73.9Confident55 Ų5566.6 Ų66.629%0.29438%0.375SS..EExtended strand (participates in β ladder)trans-151.9145.7-169.6178.834.5000111.3L74 N141L74-D106 HydrophobicContact CD1-CB 4.23Å; L74-D106 WeakPolarHBondContact CD1-OD1 3.48Å; D106-N141 HydrophobicContact CB-CB 4.07Å; D106-N141 PolarHBondContact O-N 2.97Å; D106-N141 PolarHBondContact OD2-ND2 2.89Å; D106-N141 VanDerWaalsContact OD2-ND2 3.13Å
107I84.5Confident76.2Confident10 Ų1064.2 Ų64.25%0.05136%0.36CS..EExtended strand (participates in β ladder)trans-131.6106173.9-67.8173.2000105.5L73 L74 L77 I104 Q139 V140 L206L73-I107 HydrophobicContact CB-CG2 4.22Å; L73-I107 HydrophobicContact CD1-CG2 4.05Å; L74-I107 HydrophobicContact CD2-CB 3.74Å; L74-I107 HydrophobicContact CD2-CD1 4.08Å; L74-I107 HydrophobicContact CD2-CG1 3.72Å; L74-I107 HydrophobicContact CG-CB 4.12Å; L77-I107 HydrophobicContact CD1-CD1 3.13Å; L77-I107 HydrophobicContact CG-CD1 4.4Å; I104-I107 HydrophobicContact CD1-CD1 4.4Å; I104-I107 HydrophobicContact CG2-CD1 3.75Å; I104-I107 HydrophobicContact CG2-CG1 3.63Å; I107-Q139 WeakPolarHBondContact CA-O 3.43Å; I107-V140 HydrophobicContact CD1-CG1 4.48Å; I107-V140 HydrophobicContact CG1-CB 4.42Å; I107-V140 HydrophobicContact CG1-CG1 4.05Å; I107-V140 HydrophobicContact CG1-CG2 4.18Å; I107-L206 HydrophobicContact CD1-CD1 4.25Å
108K88.7Confident78.4Confident96 Ų9662 Ų6242%0.41735%0.349SS..EExtended strand (participates in β ladder)trans-99.5131.2179.2-172.7173.9179.8-178.90109.5T110 L138 Q139K108-T110 HydrophobicContact CD-CG2 4.14Å; K108-T110 HydrophobicContact CG-CG2 3.99Å; K108-L138 WeakPolarHBondContact O-CA 3.14Å; K108-Q139 PolarHBondContact N-O 3.48Å; K108-Q139 PolarHBondContact O-N 3.25Å
109V92.3Very high80.6Confident2 Ų260.3 Ų60.31%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-81.1131.9165.7-1750000108L68 L71 L73 I136 N137 L138L68-V109 WeakPolarHBondContact O-CG1 3.37Å; L71-V109 HydrophobicContact CB-CG2 4.4Å; L73-V109 HydrophobicContact CD1-CG2 3.48Å; L73-V109 VanDerWaalsContact CD1-CG2 3.48Å; L73-V109 HydrophobicContact CG-CG2 4.35Å; V109-I136 HydrophobicContact CG1-CB 3.77Å; V109-I136 HydrophobicContact CG1-CD1 4.02Å; V109-I136 HydrophobicContact CG1-CG1 4.38Å; V109-I136 HydrophobicContact CG1-CG2 3.93Å; V109-N137 CarbonylContact C-O 3.58Å; V109-N137 WeakPolarHBondContact CA-O 3.39Å; V109-L138 HydrophobicContact CB-CD2 4.42Å; V109-L138 HydrophobicContact CG2-CD2 3.76Å
110T92.6Very high82.7Confident24 Ų2461.2 Ų61.215%0.14735%0.345CS..EExtended strand (participates in β ladder)trans-132.8164.917669.50000110.1K108 P112 N137K108-T110 HydrophobicContact CD-CG2 4.14Å; K108-T110 HydrophobicContact CG-CG2 3.99Å; T110-P112 VanDerWaalsContact C-CD 3.42Å; T110-N137 PolarHBondContact N-O 3.47Å; T110-N137 PolarHBondContact O-N 3.02Å; T110-N137 WeakPolarHBondContact OG1-CB 3.33Å
111D94.9Very high85Confident87 Ų8755.9 Ų55.947%0.46531%0.31SS..EExtended strand (participates in β ladder)trans46.749.5175.9-45.7-49000114.4Q113 N137D111-Q113 PolarHBondContact O-N 3.25Å; D111-N137 HydrophobicContact CB-CB 4.45Å; D111-N137 PolarHBondContact OD2-ND2 2.69Å
112P96.2Very high87.3Confident22 Ų2253 Ų5314%0.14328%0.279CS..EExtended strand (participates in β ladder)trans-64135175.430.1-36000110.3L65 L68 T110 G135 I136L65-P112 HydrophobicContact CB-CB 4.31Å; L65-P112 HydrophobicContact CB-CG 3.94Å; L65-P112 HydrophobicContact CD2-CB 4.15Å; L65-P112 WeakPolarHBondContact O-CG 3.48Å; L68-P112 HydrophobicContact CB-CB 3.97Å; L68-P112 HydrophobicContact CD1-CB 4.28Å; T110-P112 VanDerWaalsContact C-CD 3.42Å; P112-G135 CarbonylContact C-O 3.59Å; P112-G135 WeakPolarHBondContact CA-O 3.42Å; P112-I136 HydrophobicContact CB-CG2 4.17Å
113Q96.4Very high89.1Confident110 Ų11057.6 Ų57.651%0.51431%0.31SS..EExtended strand (participates in β ladder)trans-135.4134.9-175.9-68.3175.333.800110.1D111 L115 L134 G135D111-Q113 PolarHBondContact O-N 3.25Å; Q113-L115 HydrophobicContact CB-CD1 4.41Å; Q113-L134 WeakPolarHBondContact O-CA 3.33Å; Q113-G135 PolarHBondContact N-O 3.11Å; Q113-G135 PolarHBondContact O-N 2.91Å
114L97.4Very high90.7Very high31 Ų3156.1 Ų56.116%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-100.7118.1163.8177.562.8000107.4L59 L60 L64 L117 I132 L134L59-L114 HydrophobicContact CB-CD2 4.16Å; L59-L114 HydrophobicContact CD1-CD2 4.26Å; L60-L114 HydrophobicContact CD2-CB 4.17Å; L60-L114 HydrophobicContact CD2-CD2 4.15Å; L60-L114 HydrophobicContact CG-CD2 4.06Å; L64-L114 HydrophobicContact CD2-CB 4.21Å; L64-L114 HydrophobicContact CD2-CD1 4.05Å; L64-L114 HydrophobicContact CD2-CD2 4.05Å; L64-L114 HydrophobicContact CD2-CG 4.33Å; L114-L117 HydrophobicContact CD1-CD2 3.94Å; L114-I132 HydrophobicContact CD1-CG2 3.58Å; L114-L134 HydrophobicContact CD1-CD2 3.71Å
115L95.9Very high91.9Very high74 Ų7454.5 Ų54.539%0.38729%0.294SS..  trans-84.7175.1173.9-69.781.1000109.6Q113 L117 P133Q113-L115 HydrophobicContact CB-CD1 4.41Å; L115-L117 PolarHBondContact O-N 2.99Å; L115-P133 HydrophobicContact CB-CB 3.96Å; L115-P133 HydrophobicContact CB-CG 3.66Å; L115-P133 PolarHBondContact N-O 2.92Å
116E95.2Very high93.1Very high181 Ų18153.8 Ų53.885%0.84629%0.288SS*.PPolyproline II helixtrans-58.3130.1179.8-171.8175.4-178.200111.8G118 P133E116-G118 PolarHBondContact O-N 2.84Å; E116-P133 WeakPolarHBondContact O-CG 3.11Å
117L96.7Very high94Very high14 Ų1455.9 Ų55.97%0.07329%0.292CS..PPolyproline II helixtrans-69.6131.6-179.6-61-173.7000110.6T52 L55 L59 L114 L115 V130 T131 I132T52-L117 HydrophobicContact CG2-CB 4.39Å; L55-L117 HydrophobicContact CB-CD1 3.7Å; L59-L117 HydrophobicContact CD1-CD1 4.49Å; L114-L117 HydrophobicContact CD1-CD2 3.94Å; L115-L117 PolarHBondContact O-N 2.99Å; L117-V130 HydrophobicContact CB-CG1 4.45Å; L117-V130 HydrophobicContact CD1-CG1 4.3Å; L117-T131 WeakPolarHBondContact CA-O 3.33Å; L117-I132 HydrophobicContact CD2-CB 4.02Å; L117-I132 HydrophobicContact CD2-CG1 3.92Å; L117-I132 HydrophobicContact CD2-CG2 3.9Å
118G95Very high94.6Very high30 Ų3055.4 Ų55.431%0.30929%0.29SS..EExtended strand (participates in β ladder)trans-83140.5166.500000110.3E116 V130 T131E116-G118 PolarHBondContact O-N 2.84Å; G118-V130 CarbonylContact O-C 3.56Å; G118-V130 WeakPolarHBondContact O-CA 3.41Å; G118-T131 PolarHBondContact N-O 3.35Å; G118-T131 PolarHBondContact O-N 3.09Å
119L95.3Very high95Very high25 Ų2554.2 Ų54.213%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-130.3125.9172.5-174.571000109.2A48 L51 T52 L128 V130 V252A48-L119 HydrophobicContact CB-CD2 3.87Å; L51-L119 HydrophobicContact CD2-CD1 4.1Å; L51-L119 HydrophobicContact CD2-CD2 4.19Å; T52-L119 HydrophobicContact CG2-CB 3.76Å; T52-L119 HydrophobicContact CG2-CD2 4.15Å; T52-L119 HydrophobicContact CG2-CG 4.46Å; L119-L128 HydrophobicContact CD1-CB 4.01Å; L119-L128 HydrophobicContact CD1-CD1 4.37Å; L119-L128 HydrophobicContact CD1-CD2 4.42Å; L119-V130 HydrophobicContact CD1-CG2 3.73Å; L119-V252 HydrophobicContact CD2-CG2 3.77Å; L119-V252 HydrophobicContact CG-CG1 4.46Å; L119-V252 HydrophobicContact CG-CG2 4.09Å; L119-V252 WeakPolarHBondContact O-CG1 3.41Å
120V94.9Very high95.2Very high72 Ų7254.3 Ų54.344%0.43628%0.283SS..EExtended strand (participates in β ladder)trans-129.8144.5171.5-58.60000109.7L128 Y129V120-L128 CarbonylContact O-C 3.6Å; V120-L128 WeakPolarHBondContact O-CA 3.34Å; V120-Y129 HydrophobicContact CG2-CD2 4.3Å; V120-Y129 HydrophobicContact CG2-CG 4.46Å; V120-Y129 PolarHBondContact N-O 3.35Å; V120-Y129 PolarHBondContact O-N 3.04Å
121Q94.8Very high95.5Very high6 Ų655.1 Ų55.13%0.02829%0.288CS..EExtended strand (participates in β ladder)trans-101.3142174.9-169.5168.212.400110.1G125 R127 L128 L249 Q250 V252Q121-G125 PolarHBondContact NE2-O 2.8Å; Q121-R127 WeakPolarHBondContact CA-O 3.48Å; Q121-L128 HydrophobicContact CB-CD2 3.9Å; Q121-L128 HydrophobicContact CG-CD2 3.88Å; Q121-L249 PolarHBondContact NE2-O 3.13Å; Q121-Q250 VanDerWaalsContact OE1-OE1 3.1Å; Q121-V252 HydrophobicContact CB-CB 3.86Å; Q121-V252 HydrophobicContact CB-CG2 3.87Å
122S95Very high95.6Very high6 Ų651.1 Ų51.14%0.04227%0.267CS..  trans-60.7152.1175.156.70000110.8D124 G125 H126 R127 Q250S122-D124 WeakPolarHBondContact CB-OD1 3.34Å; S122-D124 PolarHBondContact O-N 3.24Å; S122-D124 PolarHBondContact OG-OD1 3.19Å; S122-G125 WeakPolarHBondContact O-CA 3.41Å; S122-G125 PolarHBondContact O-N 3.23Å; S122-H126 PolarHBondContact OG-N 3.25Å; S122-R127 PolarHBondContact N-O 2.89Å; S122-R127 PolarHBondContact OG-N 3.44Å; S122-R127 PolarHBondContact OG-O 3.22Å; S122-Q250 PolarHBondContact O-NE2 3.04Å
123P92.9Very high95.7Very high118 Ų11851 Ų5177%0.76627%0.267SS*.THydrogen-bonded Turntrans-59.2-31.9179.1-24.834.7000113.8G125 Q250P123-G125 PolarHBondContact O-N 2.89Å; P123-Q250 PolarHBondContact O-NE2 3.2Å
124D92.9Very high95.8Very high82 Ų8246.1 Ų46.144%0.43924%0.244SC..THydrogen-bonded Turntrans-76-7.7175.465.26.1000113.2S122 H126 G248S122-D124 WeakPolarHBondContact CB-OD1 3.34Å; S122-D124 PolarHBondContact O-N 3.24Å; S122-D124 PolarHBondContact OG-OD1 3.19Å; D124-H126 PolarHBondContact O-CE1 3.25Å; D124-H126 VanDerWaalsContact O-CE1 3.32Å; D124-H126 PolarHBondContact O-N 2.86Å; D124-H126 PolarHBondContact O-ND1 3.15Å; D124-H126 PolarHBondContact OD1-N 3.39Å; D124-H126 IonicContact OD1-ND1 2.87Å; D124-G248 WeakPolarHBondContact O-CA 3.38Å
125G93Very high95.7Very high0 Ų045.1 Ų45.10%024%0.241CC..SBendtrans77.1-2.5179.900000115.3Q121 S122 P123 L245Q121-G125 PolarHBondContact NE2-O 2.8Å; S122-G125 WeakPolarHBondContact O-CA 3.41Å; S122-G125 PolarHBondContact O-N 3.23Å; P123-G125 PolarHBondContact O-N 2.89Å; G125-L245 VanDerWaalsContact O-CD2 3.3Å; G125-L245 WeakPolarHBondContact O-CD2 2.87Å
126H94.4Very high95.7Very high84 Ų8442 Ų4239%0.38922%0.224SC..SBendtrans-90.3-11.2-170.4-68.480.4000114.8S122 D124 L245S122-H126 PolarHBondContact OG-N 3.25Å; D124-H126 PolarHBondContact O-CE1 3.25Å; D124-H126 VanDerWaalsContact O-CE1 3.32Å; D124-H126 PolarHBondContact O-N 2.86Å; D124-H126 PolarHBondContact O-ND1 3.15Å; D124-H126 PolarHBondContact OD1-N 3.39Å; D124-H126 IonicContact OD1-ND1 2.87Å; H126-L245 WeakPolarHBondContact CA-O 3.35Å; H126-L245 PolarHBondContact CD2-O 2.79Å
127R95.5Very high95.7Very high100 Ų10035.1 Ų35.138%0.37719%0.194SC..EExtended strand (participates in β ladder)trans-135.8147-172.2-37.9-172.7-173.9-168.80.2110.9Q121 S122 Y129 E161 L163Q121-R127 WeakPolarHBondContact CA-O 3.48Å; S122-R127 PolarHBondContact N-O 2.89Å; S122-R127 PolarHBondContact OG-N 3.44Å; S122-R127 PolarHBondContact OG-O 3.22Å; R127-Y129 HydrophobicContact CB-CE2 4.35Å; R127-Y129 WeakPolarHBondContact CD-OH 3.31Å; R127-E161 HydrophobicContact CB-CG 4.49Å; R127-E161 WeakPolarHBondContact CD-OE1 3.42Å; R127-E161 IonicContact CZ-OE1 3.77Å; R127-E161 IonicContact NE-OE1 3.87Å; R127-E161 IonicContact NH1-OE1 2.84Å; R127-E161 PolarHBondContact NH1-OE1 3.38Å; R127-L163 HydrophobicContact CB-CD2 3.91Å; R127-L163 HydrophobicContact CG-CD2 3.58Å
128L96.6Very high95.4Very high0 Ų034.6 Ų34.60%019%0.191CC..EExtended strand (participates in β ladder)trans-112.7139.7168.3-56.2169.7000109.1L51 L119 V120 Q121 E161 I162 I241 L245 F251 V252L51-L128 HydrophobicContact CD2-CD1 3.54Å; L119-L128 HydrophobicContact CD1-CB 4.01Å; L119-L128 HydrophobicContact CD1-CD1 4.37Å; L119-L128 HydrophobicContact CD1-CD2 4.42Å; V120-L128 CarbonylContact O-C 3.6Å; V120-L128 WeakPolarHBondContact O-CA 3.34Å; Q121-L128 HydrophobicContact CB-CD2 3.9Å; Q121-L128 HydrophobicContact CG-CD2 3.88Å; L128-E161 CarbonylContact O-C 3.53Å; L128-E161 VanDerWaalsContact O-CA 3.3Å; L128-E161 WeakPolarHBondContact O-CA 3.21Å; L128-I162 HydrophobicContact CB-CB 4.19Å; L128-I162 PolarHBondContact N-O 3.49Å; L128-I162 PolarHBondContact O-N 3.33Å; L128-I241 HydrophobicContact CD1-CG2 3.91Å; L128-L245 HydrophobicContact CD1-CD1 3.96Å; L128-L245 HydrophobicContact CD1-CD2 4.31Å; L128-L245 HydrophobicContact CD2-CD2 3.92Å; L128-L245 HydrophobicContact CG-CD1 3.98Å; L128-L245 HydrophobicContact CG-CD2 3.77Å; L128-L245 HydrophobicContact CG-CG 4.43Å; L128-F251 HydrophobicContact CD1-CZ 3.98Å; L128-F251 HydrophobicContact CD2-CE1 4.2Å; L128-F251 HydrophobicContact CD2-CZ 3.82Å; L128-F251 HydrophobicContact CG-CZ 4.45Å; L128-V252 HydrophobicContact CD2-CG2 3.96Å
129Y97.1Very high95.1Very high71 Ų7134.8 Ų34.828%0.27818%0.184SC..EExtended strand (participates in β ladder)trans-112113.2168.1-59.2-80.3000108.2V120 R127 T159 A160 E161V120-Y129 HydrophobicContact CG2-CD2 4.3Å; V120-Y129 HydrophobicContact CG2-CG 4.46Å; V120-Y129 PolarHBondContact N-O 3.35Å; V120-Y129 PolarHBondContact O-N 3.04Å; R127-Y129 HydrophobicContact CB-CE2 4.35Å; R127-Y129 WeakPolarHBondContact CD-OH 3.31Å; Y129-T159 HydrophobicContact CD1-CG2 4.32Å; Y129-A160 WeakPolarHBondContact CA-O 3.33Å; Y129-E161 HydrophobicContact CD1-CB 4.06Å; Y129-E161 HydrophobicContact CD1-CG 4.15Å; Y129-E161 HydrophobicContact CE1-CB 3.89Å; Y129-E161 HydrophobicContact CE1-CG 3.63Å; Y129-E161 PolarHBondContact OH-OE1 2.89Å
130V97.4Very high94.5Very high3 Ų333.7 Ų33.72%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-92.5123.3174.6-173.30000108.1L55 L117 G118 L119 I132 T159 A160 I162L55-V130 HydrophobicContact CD1-CG1 4.2Å; L55-V130 HydrophobicContact CD1-CG2 3.9Å; L117-V130 HydrophobicContact CB-CG1 4.45Å; L117-V130 HydrophobicContact CD1-CG1 4.3Å; G118-V130 CarbonylContact O-C 3.56Å; G118-V130 WeakPolarHBondContact O-CA 3.41Å; L119-V130 HydrophobicContact CD1-CG2 3.73Å; V130-I132 HydrophobicContact CG1-CG1 4Å; V130-T159 CarbonylContact O-C 3.6Å; V130-T159 VanDerWaalsContact O-CA 3.31Å; V130-T159 WeakPolarHBondContact O-CA 3.31Å; V130-A160 PolarHBondContact N-O 3.12Å; V130-A160 PolarHBondContact O-N 3.1Å; V130-I162 HydrophobicContact CG2-CD1 3.45Å; V130-I162 VanDerWaalsContact CG2-CD1 3.45Å; V130-I162 HydrophobicContact CG2-CG1 4.18Å
131T97.7Very high93.7Very high41 Ų4132 Ų3225%0.25217%0.167SC..EExtended strand (participates in β ladder)trans-95.8121.5169.3-57.40000108.4L117 G118 P133 N157 I158L117-T131 WeakPolarHBondContact CA-O 3.33Å; G118-T131 PolarHBondContact N-O 3.35Å; G118-T131 PolarHBondContact O-N 3.09Å; T131-P133 VanDerWaalsContact C-CD 3.49Å; T131-P133 WeakPolarHBondContact O-CD 3.4Å; T131-N157 HydrophobicContact CG2-CB 4.07Å; T131-I158 CarbonylContact C-O 3.51Å
132I98.1Very high92.6Very high3 Ų333.3 Ų33.32%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-108.990.7-179.5-53170000107.4L59 L114 L117 V130 L134 N157 I158 V222 V226L59-I132 HydrophobicContact CD1-CD1 4.25Å; L59-I132 HydrophobicContact CD1-CG2 4.15Å; L114-I132 HydrophobicContact CD1-CG2 3.58Å; L117-I132 HydrophobicContact CD2-CB 4.02Å; L117-I132 HydrophobicContact CD2-CG1 3.92Å; L117-I132 HydrophobicContact CD2-CG2 3.9Å; V130-I132 HydrophobicContact CG1-CG1 4Å; I132-L134 HydrophobicContact CG2-CD2 3.88Å; I132-L134 HydrophobicContact CG2-CG 4.24Å; I132-L134 PolarHBondContact O-N 3.28Å; I132-N157 WeakPolarHBondContact O-CA 3.25Å; I132-I158 HydrophobicContact CB-CB 4.26Å; I132-I158 PolarHBondContact N-O 3.01Å; I132-I158 PolarHBondContact O-N 3.38Å; I132-V222 HydrophobicContact CD1-CG1 4.32Å; I132-V226 HydrophobicContact CD1-CG2 3.44Å; I132-V226 VanDerWaalsContact CD1-CG2 3.44Å
133P97.6Very high91.1Very high21 Ų2136.3 Ų36.314%0.13619%0.194CC..EExtended strand (participates in β ladder)trans-76.7120.8177.827.3-31.7000111.4L115 E116 T131 N157L115-P133 HydrophobicContact CB-CB 3.96Å; L115-P133 HydrophobicContact CB-CG 3.66Å; L115-P133 PolarHBondContact N-O 2.92Å; E116-P133 WeakPolarHBondContact O-CG 3.11Å; T131-P133 VanDerWaalsContact C-CD 3.49Å; T131-P133 WeakPolarHBondContact O-CD 3.4Å; P133-N157 WeakPolarHBondContact CA-OD1 3.16Å; P133-N157 WeakPolarHBondContact CB-OD1 3.12Å
134L97.4Very high89.7Confident7 Ų733.9 Ų33.94%0.03717%0.174CC..EExtended strand (participates in β ladder)trans-113.8139.5-178.3-56.7172.7000110.1L64 L68 Q113 L114 I132 K155 L156 I158 V218 V222L64-L134 HydrophobicContact CD2-CD2 3.87Å; L68-L134 HydrophobicContact CD1-CD2 4.22Å; Q113-L134 WeakPolarHBondContact O-CA 3.33Å; L114-L134 HydrophobicContact CD1-CD2 3.71Å; I132-L134 HydrophobicContact CG2-CD2 3.88Å; I132-L134 HydrophobicContact CG2-CG 4.24Å; I132-L134 PolarHBondContact O-N 3.28Å; L134-K155 CarbonylContact O-C 3.55Å; L134-K155 WeakPolarHBondContact O-CA 3.41Å; L134-L156 WeakPolarHBondContact CA-O 3.47Å; L134-L156 WeakPolarHBondContact CB-O 3.43Å; L134-L156 PolarHBondContact N-O 3.32Å; L134-L156 PolarHBondContact O-N 3.41Å; L134-I158 HydrophobicContact CD1-CG1 4.03Å; L134-V218 HydrophobicContact CD1-CG1 3.5Å; L134-V218 VanDerWaalsContact CD1-CG1 3.5Å; L134-V222 HydrophobicContact CD1-CG2 3.85Å
135G96.3Very high87.8Confident9 Ų937.3 Ų37.39%0.09320%0.198CC..EExtended strand (participates in β ladder)trans-123.5138.1171.200000110.5P112 Q113 V154P112-G135 CarbonylContact C-O 3.59Å; P112-G135 WeakPolarHBondContact CA-O 3.42Å; Q113-G135 PolarHBondContact N-O 3.11Å; Q113-G135 PolarHBondContact O-N 2.91Å; G135-V154 CarbonylContact C-O 3.58Å; G135-V154 WeakPolarHBondContact CA-O 3.36Å
136I95.9Very high86Confident9 Ų940.5 Ų40.55%0.04623%0.231CC..EExtended strand (participates in β ladder)trans-142154.1170.864.3177000109.8L68 V109 P112 L138 V154 L214L68-I136 HydrophobicContact CB-CG2 4.22Å; L68-I136 HydrophobicContact CD1-CG2 4.24Å; V109-I136 HydrophobicContact CG1-CB 3.77Å; V109-I136 HydrophobicContact CG1-CD1 4.02Å; V109-I136 HydrophobicContact CG1-CG1 4.38Å; V109-I136 HydrophobicContact CG1-CG2 3.93Å; P112-I136 HydrophobicContact CB-CG2 4.17Å; I136-L138 HydrophobicContact CD1-CD2 3.9Å; I136-L138 HydrophobicContact CG1-CD2 4.43Å; I136-V154 HydrophobicContact CG1-CB 3.81Å; I136-V154 HydrophobicContact CG1-CG2 4.42Å; I136-V154 PolarHBondContact N-O 2.9Å; I136-V154 PolarHBondContact O-N 3.35Å; I136-L214 HydrophobicContact CD1-CD1 4.27Å; I136-L214 HydrophobicContact CD1-CD2 4.33Å
137N94.8Very high84.3Confident37 Ų3738 Ų3820%0.19823%0.225CC..EExtended strand (participates in β ladder)trans-104.3140167-68.9-20.2000109.4V109 T110 D111 L152V109-N137 CarbonylContact C-O 3.58Å; V109-N137 WeakPolarHBondContact CA-O 3.39Å; T110-N137 PolarHBondContact N-O 3.47Å; T110-N137 PolarHBondContact O-N 3.02Å; T110-N137 WeakPolarHBondContact OG1-CB 3.33Å; D111-N137 HydrophobicContact CB-CB 4.45Å; D111-N137 PolarHBondContact OD2-ND2 2.69Å; N137-L152 CarbonylContact C-O 3.47Å; N137-L152 VanDerWaalsContact CA-O 3.27Å; N137-L152 WeakPolarHBondContact CA-O 3.29Å
138L91.4Very high82.8Confident2 Ų238.3 Ų38.31%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-109.8124.5173-56.2-180000108.9L73 K108 V109 I136 R151 L152 V154 L210L73-L138 HydrophobicContact CD1-CD2 3.48Å; L73-L138 VanDerWaalsContact CD1-CD2 3.48Å; K108-L138 WeakPolarHBondContact O-CA 3.14Å; V109-L138 HydrophobicContact CB-CD2 4.42Å; V109-L138 HydrophobicContact CG2-CD2 3.76Å; I136-L138 HydrophobicContact CD1-CD2 3.9Å; I136-L138 HydrophobicContact CG1-CD2 4.43Å; L138-R151 CarbonylContact O-C 3.53Å; L138-R151 VanDerWaalsContact O-CA 3.31Å; L138-R151 WeakPolarHBondContact O-CA 3.39Å; L138-L152 HydrophobicContact CB-CB 4.24Å; L138-L152 PolarHBondContact N-O 3.15Å; L138-L152 PolarHBondContact O-N 2.79Å; L138-V154 HydrophobicContact CD1-CG2 3.78Å; L138-V154 HydrophobicContact CG-CG2 3.91Å; L138-L210 HydrophobicContact CD1-CD1 3.57Å; L138-L210 HydrophobicContact CD1-CD2 4.1Å; L138-L210 HydrophobicContact CD1-CG 4.49Å
139Q88.2Confident81.5Confident35 Ų3541.9 Ų41.916%0.16425%0.252CS..EExtended strand (participates in β ladder)trans-105.5115.7171.6179.2170.97700109I107 K108I107-Q139 WeakPolarHBondContact CA-O 3.43Å; K108-Q139 PolarHBondContact N-O 3.48Å; K108-Q139 PolarHBondContact O-N 3.25Å
140V83.6Confident80.8Confident2 Ų238.9 Ų38.91%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-100.8114.7-179.7-1720000109.1I104 I107 T142 L150 L206I104-V140 HydrophobicContact CG1-CG1 4.32Å; I104-V140 HydrophobicContact CG2-CG1 3.9Å; I107-V140 HydrophobicContact CD1-CG1 4.48Å; I107-V140 HydrophobicContact CG1-CB 4.42Å; I107-V140 HydrophobicContact CG1-CG1 4.05Å; I107-V140 HydrophobicContact CG1-CG2 4.18Å; V140-T142 HydrophobicContact CG1-CG2 4.21Å; V140-L150 HydrophobicContact CB-CB 4.14Å; V140-L150 HydrophobicContact CB-CD2 4.27Å; V140-L150 HydrophobicContact CG2-CD2 4.12Å; V140-L150 PolarHBondContact N-O 3.11Å; V140-L206 HydrophobicContact CG2-CD2 3.77Å
141N77.1Confident80.4Confident37 Ų3743.4 Ų43.420%0.19826%0.258CS..EExtended strand (participates in β ladder)trans-91.6121.5178.8-65.5-36.1000109.3I105 D106 L149I105-N141 PolarHBondContact N-O 2.75Å; D106-N141 HydrophobicContact CB-CB 4.07Å; D106-N141 PolarHBondContact O-N 2.97Å; D106-N141 PolarHBondContact OD2-ND2 2.89Å; D106-N141 VanDerWaalsContact OD2-ND2 3.13Å; N141-L149 WeakPolarHBondContact OD1-CD2 3.26Å
142T70.7Confident80Confident32 Ų3241.4 Ų41.420%0.19625%0.246CC..  trans-122.314817869.10000110.5L102 V140 L144L102-T142 HydrophobicContact CD2-CG2 3.92Å; V140-T142 HydrophobicContact CG1-CG2 4.21Å; T142-L144 PolarHBondContact O-N 2.7Å; T142-L144 VanDerWaalsContact O-N 3.15Å
143P64.3Low79.8Confident69 Ų6942.3 Ų42.345%0.44825%0.253SS..  trans-74.53.3-175.423.6-27.5000113.8N103 I105 V145N103-P143 HydrophobicContact CB-CG 4.47Å; N103-P143 WeakPolarHBondContact O-CD 2.98Å; I105-P143 HydrophobicContact CD1-CB 3.76Å; I105-P143 HydrophobicContact CD1-CG 4.13Å; I105-P143 HydrophobicContact CG1-CB 4.43Å; I105-P143 HydrophobicContact CG1-CG 4.33Å; P143-V145 PolarHBondContact O-N 2.89Å
144L64.1Low79.7Confident67 Ų6741.5 Ų41.535%0.35125%0.248SC..  trans-76.4116.6-171.9-81.679.2000110.5L102 T142 G146 A147L102-L144 HydrophobicContact CD2-CD1 3.43Å; L102-L144 VanDerWaalsContact CD2-CD1 3.43Å; L102-L144 HydrophobicContact CG-CD1 3.78Å; T142-L144 PolarHBondContact O-N 2.7Å; T142-L144 VanDerWaalsContact O-N 3.15Å; L144-G146 PolarHBondContact O-N 3.31Å; L144-A147 HydrophobicContact CB-CB 3.62Å; L144-A147 WeakPolarHBondContact O-CB 3.49Å; L144-A147 PolarHBondContact O-N 2.91Å
145V52.3Low79.7Confident155 Ų15547.2 Ų47.294%0.93927%0.273SS*.THydrogen-bonded Turntrans-58.8119.1174.6-178.90000109.3P143P143-V145 PolarHBondContact O-N 2.89Å
146G54.7Low79.7Confident67 Ų6747 Ų4769%0.69127%0.27SS*.THydrogen-bonded Turntrans84.12.9-179.100000115.4L144L144-G146 PolarHBondContact O-N 3.31Å
147A59.5Low79.8Confident31 Ų3148.9 Ų48.926%0.25628%0.28SS..PPolyproline II helixtrans-77.7130.2168.400000110.1L144 L197L144-A147 HydrophobicContact CB-CB 3.62Å; L144-A147 WeakPolarHBondContact O-CB 3.49Å; L144-A147 PolarHBondContact O-N 2.91Å; A147-L197 HydrophobicContact CB-CD1 4.36Å
148N63.3Low79.9Confident107 Ų10747.1 Ų47.157%0.57227%0.27SS*.PPolyproline II helixtrans-67.6143.7171.2-76.111000109.6L150N148-L150 PolarHBondContact O-N 3.03Å
149L71.1Confident80.2Confident74 Ų7448.8 Ų48.839%0.38728%0.28SS..PPolyproline II helixtrans-55.6120.6171.9-68171.6000109.5N141 R151N141-L149 WeakPolarHBondContact OD1-CD2 3.26Å; L149-R151 PolarHBondContact O-N 3.2Å
150L81.9Confident80.7Confident9 Ų947.1 Ų47.15%0.04727%0.273CS..EExtended strand (participates in β ladder)trans-76.2120.6176.6178.875.3000108.4V140 N148 L152 L190 I199 L206V140-L150 HydrophobicContact CB-CB 4.14Å; V140-L150 HydrophobicContact CB-CD2 4.27Å; V140-L150 HydrophobicContact CG2-CD2 4.12Å; V140-L150 PolarHBondContact N-O 3.11Å; N148-L150 PolarHBondContact O-N 3.03Å; L150-L152 HydrophobicContact CG-CD2 4.43Å; L150-L190 HydrophobicContact CD1-CD1 3.34Å; L150-L190 HydrophobicContact CG-CD1 4.39Å; L150-I199 HydrophobicContact CD1-CD1 4.07Å; L150-L206 HydrophobicContact CD2-CD2 4.05Å
151R88Confident81.4Confident97 Ų9747.6 Ų47.637%0.36628%0.275SS..EExtended strand (participates in β ladder)trans-117.4124.9179.2-63.9-177.5-170.3-130.84.9110L138 L149 L191 D192L138-R151 CarbonylContact O-C 3.53Å; L138-R151 VanDerWaalsContact O-CA 3.31Å; L138-R151 WeakPolarHBondContact O-CA 3.39Å; L149-R151 PolarHBondContact O-N 3.2Å; R151-L191 HydrophobicContact CB-CB 4.02Å; R151-L191 PolarHBondContact O-N 3.39Å; R151-D192 HydrophobicContact CB-CB 4.31Å; R151-D192 PolarHBondContact N-O 3.49Å; R151-D192 PolarHBondContact O-N 3.4Å
152L90.4Very high82.3Confident0 Ų045.9 Ų45.90%027%0.265CS..EExtended strand (participates in β ladder)trans-115.2132.8177.2-53.7171.6000109.3N137 L138 L150 I188 S189 L190 L203 L206 L210N137-L152 CarbonylContact C-O 3.47Å; N137-L152 VanDerWaalsContact CA-O 3.27Å; N137-L152 WeakPolarHBondContact CA-O 3.29Å; L138-L152 HydrophobicContact CB-CB 4.24Å; L138-L152 PolarHBondContact N-O 3.15Å; L138-L152 PolarHBondContact O-N 2.79Å; L150-L152 HydrophobicContact CG-CD2 4.43Å; L152-I188 HydrophobicContact CB-CG2 4.23Å; L152-I188 HydrophobicContact CD1-CG2 4.23Å; L152-I188 HydrophobicContact CD2-CG2 4.48Å; L152-S189 CarbonylContact C-O 3.57Å; L152-S189 VanDerWaalsContact CA-O 3.3Å; L152-S189 WeakPolarHBondContact CA-O 3.08Å; L152-L190 HydrophobicContact CD2-CD1 3.82Å; L152-L203 HydrophobicContact CD2-CD1 3.56Å; L152-L206 HydrophobicContact CD1-CD2 3.74Å; L152-L206 HydrophobicContact CD1-CG 4.46Å; L152-L210 HydrophobicContact CD1-CD1 4.02Å
153A93.9Very high83.5Confident21 Ų2146.4 Ų46.417%0.17427%0.267CS..EExtended strand (participates in β ladder)trans-88.7132.5164.200000108.7I188 S189 L191A153-I188 CarbonylContact O-C 3.57Å; A153-I188 WeakPolarHBondContact O-CA 3.38Å; A153-S189 PolarHBondContact N-O 2.89Å; A153-S189 PolarHBondContact O-N 2.86Å; A153-L191 HydrophobicContact CB-CD1 3.87Å; A153-L191 HydrophobicContact CB-CD2 3.76Å; A153-L191 HydrophobicContact CB-CG 3.69Å
154V95.3Very high85Confident4 Ų444 Ų442%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-124.7131.5178.3-170.80000110G135 I136 L138 L186 H187 I188 L214G135-V154 CarbonylContact C-O 3.58Å; G135-V154 WeakPolarHBondContact CA-O 3.36Å; I136-V154 HydrophobicContact CG1-CB 3.81Å; I136-V154 HydrophobicContact CG1-CG2 4.42Å; I136-V154 PolarHBondContact N-O 2.9Å; I136-V154 PolarHBondContact O-N 3.35Å; L138-V154 HydrophobicContact CD1-CG2 3.78Å; L138-V154 HydrophobicContact CG-CG2 3.91Å; V154-L186 HydrophobicContact CG1-CD1 3.47Å; V154-L186 VanDerWaalsContact CG1-CD1 3.47Å; V154-H187 CarbonylContact C-O 3.58Å; V154-H187 VanDerWaalsContact CA-O 3.28Å; V154-H187 WeakPolarHBondContact CA-O 3.41Å; V154-I188 HydrophobicContact CG1-CG1 3.99Å; V154-I188 HydrophobicContact CG2-CG1 4.13Å; V154-I188 HydrophobicContact CG2-CG2 4.35Å; V154-L214 HydrophobicContact CB-CD2 4.32Å; V154-L214 HydrophobicContact CG1-CD2 3.45Å; V154-L214 VanDerWaalsContact CG1-CD2 3.45Å; V154-L214 HydrophobicContact CG2-CD2 4.45Å
155K96.8Very high86.5Confident127 Ų12743.9 Ų43.955%0.55226%0.255SS*.EExtended strand (participates in β ladder)trans-119.7138.7170.9-61.8-177.3179.3-177.10109L134 L186 H187L134-K155 CarbonylContact O-C 3.55Å; L134-K155 WeakPolarHBondContact O-CA 3.41Å; K155-L186 CarbonylContact O-C 3.55Å; K155-L186 VanDerWaalsContact O-CA 3.3Å; K155-L186 WeakPolarHBondContact O-CA 3.16Å; K155-H187 HydrophobicContact CB-CB 4.43Å; K155-H187 PolarHBondContact N-O 3.21Å; K155-H187 PolarHBondContact O-N 2.82Å
156L96.9Very high88.4Confident6 Ų643.3 Ų43.33%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-150.2137.4179.1178.868.4000109L134 I158 H181 L186 P215 V218L134-L156 WeakPolarHBondContact CA-O 3.47Å; L134-L156 WeakPolarHBondContact CB-O 3.43Å; L134-L156 PolarHBondContact N-O 3.32Å; L134-L156 PolarHBondContact O-N 3.41Å; L156-I158 HydrophobicContact CD2-CD1 4.3Å; L156-H181 HydrophobicContact CD1-CB 4.22Å; L156-L186 HydrophobicContact CB-CD1 4.33Å; L156-L186 HydrophobicContact CD1-CB 3.91Å; L156-L186 HydrophobicContact CD1-CD1 4.24Å; L156-P215 HydrophobicContact CD1-CB 4.44Å; L156-P215 HydrophobicContact CD1-CG 4.46Å; L156-V218 HydrophobicContact CD2-CB 3.67Å; L156-V218 HydrophobicContact CD2-CG1 3.87Å; L156-V218 HydrophobicContact CD2-CG2 3.96Å
157N97.6Very high90Very high48 Ų4841.7 Ų41.726%0.25721%0.211SC..EExtended strand (participates in β ladder)trans-104.7138.1174-61.8-13.5000110.1T131 I132 P133 H181 S182 S185T131-N157 HydrophobicContact CG2-CB 4.07Å; I132-N157 WeakPolarHBondContact O-CA 3.25Å; P133-N157 WeakPolarHBondContact CA-OD1 3.16Å; P133-N157 WeakPolarHBondContact CB-OD1 3.12Å; N157-H181 CarbonylContact O-C 3.48Å; N157-H181 WeakPolarHBondContact O-CA 3.1Å; N157-S182 WeakPolarHBondContact CB-OG 3.28Å; N157-S182 PolarHBondContact O-N 3.12Å; N157-S182 PolarHBondContact O-OG 3.12Å; N157-S185 PolarHBondContact N-OG 3.41Å; N157-S185 VanDerWaalsContact N-OG 3.09Å; N157-S185 PolarHBondContact O-OG 3.43Å
158I97.6Very high91.5Very high0 Ų050.2 Ų50.20%024%0.243CC..EExtended strand (participates in β ladder)trans-104.7133.6165.4-56.9-57.5000108.2T131 I132 L134 L156 H181 V218 Q219 V222T131-I158 CarbonylContact C-O 3.51Å; I132-I158 HydrophobicContact CB-CB 4.26Å; I132-I158 PolarHBondContact N-O 3.01Å; I132-I158 PolarHBondContact O-N 3.38Å; L134-I158 HydrophobicContact CD1-CG1 4.03Å; L156-I158 HydrophobicContact CD2-CD1 4.3Å; I158-H181 HydrophobicContact CD1-CB 3.81Å; I158-V218 HydrophobicContact CD1-CG1 4.19Å; I158-V218 HydrophobicContact CG1-CG1 4.27Å; I158-Q219 HydrophobicContact CD1-CB 4.18Å; I158-V222 HydrophobicContact CB-CG1 4.46Å; I158-V222 HydrophobicContact CG1-CB 4.37Å; I158-V222 HydrophobicContact CG1-CG1 4.24Å; I158-V222 HydrophobicContact CG2-CG1 4.37Å
159T97.9Very high92.7Very high36 Ų3651.7 Ų51.722%0.22125%0.246CC..EExtended strand (participates in β ladder)trans-105.3124.8171.5-570000109Y129 V130 C179 T180 S182Y129-T159 HydrophobicContact CD1-CG2 4.32Å; V130-T159 CarbonylContact O-C 3.6Å; V130-T159 VanDerWaalsContact O-CA 3.31Å; V130-T159 WeakPolarHBondContact O-CA 3.31Å; T159-C179 WeakPolarHBondContact O-CA 3.37Å; T159-T180 PolarHBondContact N-O 3.37Å; T159-T180 PolarHBondContact O-N 2.91Å; T159-T180 VanDerWaalsContact O-O 3.12Å; T159-S182 PolarHBondContact OG1-OG 3.26Å
160A97.9Very high93.4Very high0 Ų049.5 Ų49.50%024%0.241CC..EExtended strand (participates in β ladder)trans-117.3125.3175.300000110Y129 V130 L176 V226Y129-A160 WeakPolarHBondContact CA-O 3.33Å; V130-A160 PolarHBondContact N-O 3.12Å; V130-A160 PolarHBondContact O-N 3.1Å; A160-L176 HydrophobicContact CB-CD1 3.84Å; A160-V226 HydrophobicContact CB-CG1 4.07Å
161E97.9Very high93.6Very high12 Ų1257 Ų576%0.05627%0.269CS..EExtended strand (participates in β ladder)trans-85.7128.6172.2-172.8-179-132.800109.3R127 L128 Y129 L163 G177 D178R127-E161 HydrophobicContact CB-CG 4.49Å; R127-E161 WeakPolarHBondContact CD-OE1 3.42Å; R127-E161 IonicContact CZ-OE1 3.77Å; R127-E161 IonicContact NE-OE1 3.87Å; R127-E161 IonicContact NH1-OE1 2.84Å; R127-E161 PolarHBondContact NH1-OE1 3.38Å; L128-E161 CarbonylContact O-C 3.53Å; L128-E161 VanDerWaalsContact O-CA 3.3Å; L128-E161 WeakPolarHBondContact O-CA 3.21Å; Y129-E161 HydrophobicContact CD1-CB 4.06Å; Y129-E161 HydrophobicContact CD1-CG 4.15Å; Y129-E161 HydrophobicContact CE1-CB 3.89Å; Y129-E161 HydrophobicContact CE1-CG 3.63Å; Y129-E161 PolarHBondContact OH-OE1 2.89Å; E161-L163 HydrophobicContact CG-CD2 3.91Å; E161-L163 HydrophobicContact CG-CG 4.18Å; E161-G177 PolarHBondContact O-N 3.23Å; E161-D178 HydrophobicContact CB-CB 4.39Å; E161-D178 WeakPolarHBondContact CB-O 3.28Å; E161-D178 PolarHBondContact N-O 2.88Å; E161-D178 PolarHBondContact OE2-N 3.37Å
162I97.3Very high93.7Very high1 Ų153.6 Ų53.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-111.6130173.3-55.2169.8000108.2L51 L55 L128 V130 L174 L230L51-I162 HydrophobicContact CD2-CD1 4.34Å; L55-I162 HydrophobicContact CD1-CD1 4.1Å; L128-I162 HydrophobicContact CB-CB 4.19Å; L128-I162 PolarHBondContact N-O 3.49Å; L128-I162 PolarHBondContact O-N 3.33Å; V130-I162 HydrophobicContact CG2-CD1 3.45Å; V130-I162 VanDerWaalsContact CG2-CD1 3.45Å; V130-I162 HydrophobicContact CG2-CG1 4.18Å; I162-L174 HydrophobicContact CG2-CB 4.13Å; I162-L174 HydrophobicContact CG2-CD1 4.42Å; I162-L174 HydrophobicContact CG2-CD2 4Å; I162-L174 HydrophobicContact CG2-CG 4.41Å; I162-L230 HydrophobicContact CD1-CD1 4.5Å; I162-L230 HydrophobicContact CD1-CD2 3.7Å; I162-L230 HydrophobicContact CG1-CD1 4.08Å; I162-L230 HydrophobicContact CG1-CD2 4.08Å; I162-L230 HydrophobicContact CG2-CD2 4.34Å
163L95.9Very high93.8Very high43 Ų4357 Ų5723%0.22527%0.274CS..EExtended strand (participates in β ladder)trans-121.7150.4-178.4-57172.6000110R127 E161 L174 V175R127-L163 HydrophobicContact CB-CD2 3.91Å; R127-L163 HydrophobicContact CG-CD2 3.58Å; E161-L163 HydrophobicContact CG-CD2 3.91Å; E161-L163 HydrophobicContact CG-CG 4.18Å; L163-L174 CarbonylContact O-C 3.54Å; L163-L174 WeakPolarHBondContact O-CA 3.47Å; L163-V175 HydrophobicContact CB-CG2 3.93Å; L163-V175 PolarHBondContact N-O 3.48Å; L163-V175 PolarHBondContact O-N 2.88Å
164A95.6Very high93.8Very high19 Ų1956.9 Ų56.916%0.15727%0.27CS..EExtended strand (participates in β ladder)trans-100124.9167.800000110.1I172 L174 A242 L245 I246A164-I172 HydrophobicContact CB-CG2 4.35Å; A164-L174 HydrophobicContact CB-CD2 4.39Å; A164-A242 HydrophobicContact CB-CB 3.9Å; A164-A242 VanDerWaalsContact CB-O 3.32Å; A164-A242 WeakPolarHBondContact CB-O 3.33Å; A164-L245 HydrophobicContact CB-CB 3.67Å; A164-L245 HydrophobicContact CB-CD1 4.33Å; A164-I246 HydrophobicContact CB-CB 4.48Å; A164-I246 HydrophobicContact CB-CG1 3.98Å
165V93.9Very high93.8Very high64 Ų6458.6 Ų58.639%0.38828%0.28SS..EExtended strand (participates in β ladder)trans-124.4147.1-179.6-179.30000109.7I172 H173 V175V165-I172 WeakPolarHBondContact O-CA 3.27Å; V165-H173 PolarHBondContact N-O 3.13Å; V165-H173 PolarHBondContact O-N 3.09Å; V165-H173 PolarHBondContact O-ND1 3.3Å; V165-V175 HydrophobicContact CB-CG2 4.42Å; V165-V175 HydrophobicContact CG2-CG2 3.62Å
166R92.7Very high93.8Very high143 Ų14354.2 Ų54.254%0.5426%0.263SS..EExtended strand (participates in β ladder)trans-97124.8173.3-169176.7-71.8-104.29.8109.6G170 R171 I246R166-G170 PolarHBondContact NH1-O 2.85Å; R166-R171 WeakPolarHBondContact CA-O 3.29Å; R166-I246 HydrophobicContact CB-CD1 4.41Å
167D89.1Confident93.7Very high33 Ų3355.1 Ų55.118%0.17627%0.274CS..  trans-73.7175.3174.374.910.7000111.8Q169 G170 R171D167-Q169 PolarHBondContact O-N 3.43Å; D167-Q169 VanDerWaalsContact OD1-C 3.27Å; D167-Q169 VanDerWaalsContact OD1-CA 3.3Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.19Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.3Å; D167-Q169 PolarHBondContact OD1-N 2.95Å; D167-Q169 PolarHBondContact OD1-OE1 2.95Å; D167-Q169 PolarHBondContact OD2-OE1 2.99Å; D167-G170 PolarHBondContact O-N 3.41Å; D167-G170 PolarHBondContact OD1-N 3.02Å; D167-R171 PolarHBondContact N-O 3.18Å; D167-R171 PolarHBondContact OD1-N 3.41Å; D167-R171 WeakPolarHBondContact OD2-CB 3.4Å; D167-R171 IonicContact OD2-CZ 3.35Å; D167-R171 IonicContact OD2-NE 3.97Å; D167-R171 PolarHBondContact OD2-NE 3.13Å; D167-R171 IonicContact OD2-NH2 2.95Å; D167-R171 PolarHBondContact OD2-NH2 2.89Å
168K89.9Confident93.7Very high211 Ų21158.9 Ų58.992%0.91729%0.294SS*.THydrogen-bonded Turntrans-63.4-23.5179.5-64.4-177.9-178.4177.80112.9G170K168-G170 VanDerWaalsContact C-N 3.27Å
169Q88.5Confident93.7Very high138 Ų13860 Ų6065%0.64530%0.301SS*.THydrogen-bonded Turntrans-86.40.1176.7-62.182.92.900112.3D167 R171D167-Q169 PolarHBondContact O-N 3.43Å; D167-Q169 VanDerWaalsContact OD1-C 3.27Å; D167-Q169 VanDerWaalsContact OD1-CA 3.3Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.19Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.3Å; D167-Q169 PolarHBondContact OD1-N 2.95Å; D167-Q169 PolarHBondContact OD1-OE1 2.95Å; D167-Q169 PolarHBondContact OD2-OE1 2.99Å; Q169-R171 VanDerWaalsContact C-N 3.33Å; Q169-R171 HydrophobicContact CB-CG 4.42Å
170G85.4Confident93.6Very high28 Ų2861.2 Ų61.229%0.28931%0.309SS..SBendtrans83.14.9-179.100000114.2R166 D167 K168R166-G170 PolarHBondContact NH1-O 2.85Å; D167-G170 PolarHBondContact O-N 3.41Å; D167-G170 PolarHBondContact OD1-N 3.02Å; K168-G170 VanDerWaalsContact C-N 3.27Å
171R87.6Confident93.4Very high166 Ų16663.8 Ų63.863%0.62632%0.321SS*.  trans-81136.4178.2-55.1179.3-63.3-177.22.7110.4R166 D167 Q169R166-R171 WeakPolarHBondContact CA-O 3.29Å; D167-R171 PolarHBondContact N-O 3.18Å; D167-R171 PolarHBondContact OD1-N 3.41Å; D167-R171 WeakPolarHBondContact OD2-CB 3.4Å; D167-R171 IonicContact OD2-CZ 3.35Å; D167-R171 IonicContact OD2-NE 3.97Å; D167-R171 PolarHBondContact OD2-NE 3.13Å; D167-R171 IonicContact OD2-NH2 2.95Å; D167-R171 PolarHBondContact OD2-NH2 2.89Å; Q169-R171 VanDerWaalsContact C-N 3.33Å; Q169-R171 HydrophobicContact CB-CG 4.42Å
172I89.4Confident93.2Very high26 Ų2664.1 Ų64.113%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-90.9131.9180-55.3172.2000108.4A164 V165 A242 I246A164-I172 HydrophobicContact CB-CG2 4.35Å; V165-I172 WeakPolarHBondContact O-CA 3.27Å; I172-A242 HydrophobicContact CG2-CB 3.38Å; I172-I246 HydrophobicContact CB-CD1 4.2Å; I172-I246 HydrophobicContact CD1-CD1 3.82Å; I172-I246 HydrophobicContact CD1-CG2 4.2Å; I172-I246 HydrophobicContact CG1-CD1 3.68Å; I172-I246 HydrophobicContact CG2-CD1 3.56Å; I172-I246 HydrophobicContact CG2-CG1 4.43Å
173H91.6Very high92.8Very high72 Ų7269.9 Ų69.933%0.33336%0.362SS..EExtended strand (participates in β ladder)trans-139.7153.2176.555.4-75.3000110.7V165 V175V165-H173 PolarHBondContact N-O 3.13Å; V165-H173 PolarHBondContact O-N 3.09Å; V165-H173 PolarHBondContact O-ND1 3.3Å; H173-V175 WeakPolarHBondContact CD2-CG1 3.21Å
174L94.9Very high92.5Very high17 Ų1771.2 Ų71.29%0.08939%0.386CS..EExtended strand (participates in β ladder)trans-81.5140.4171.3-62.6177.8000109.7I162 L163 A164 L233 A238 I241 A242 L245I162-L174 HydrophobicContact CG2-CB 4.13Å; I162-L174 HydrophobicContact CG2-CD1 4.42Å; I162-L174 HydrophobicContact CG2-CD2 4Å; I162-L174 HydrophobicContact CG2-CG 4.41Å; L163-L174 CarbonylContact O-C 3.54Å; L163-L174 WeakPolarHBondContact O-CA 3.47Å; A164-L174 HydrophobicContact CB-CD2 4.39Å; L174-L233 HydrophobicContact CD1-CD1 4.21Å; L174-A238 HydrophobicContact CD1-CB 4.32Å; L174-I241 HydrophobicContact CD1-CB 4.18Å; L174-I241 HydrophobicContact CD1-CG2 3.99Å; L174-I241 HydrophobicContact CD2-CG2 3.99Å; L174-A242 HydrophobicContact CD2-CB 3.51Å; L174-A242 HydrophobicContact CG-CB 3.92Å; L174-L245 HydrophobicContact CD2-CD1 3.91Å
175V94.6Very high92.3Very high40 Ų4070.9 Ų70.924%0.24238%0.382CS..EExtended strand (participates in β ladder)trans-133.5152.1174.5-600000110.1L163 V165 H173L163-V175 HydrophobicContact CB-CG2 3.93Å; L163-V175 PolarHBondContact N-O 3.48Å; L163-V175 PolarHBondContact O-N 2.88Å; V165-V175 HydrophobicContact CB-CG2 4.42Å; V165-V175 HydrophobicContact CG2-CG2 3.62Å; H173-V175 WeakPolarHBondContact CD2-CG1 3.21Å
176L97.3Very high92.3Very high35 Ų3569.1 Ų69.118%0.18337%0.371CS..EExtended strand (participates in β ladder)trans-75122.7167.5-172.564.5000109A160 C179 C223 V226 N227 L230A160-L176 HydrophobicContact CB-CD1 3.84Å; L176-C179 HydrophobicContact CD1-CB 4.14Å; L176-C179 HydrophobicContact CD2-CB 4.01Å; L176-C179 HydrophobicContact CG-CB 4.27Å; L176-C223 WeakPolarHBondContact CD2-O 3.4Å; L176-V226 HydrophobicContact CD1-CG1 3.87Å; L176-N227 HydrophobicContact CB-CB 4.29Å; L176-N227 HydrophobicContact CD2-CB 3.73Å; L176-L230 HydrophobicContact CB-CD1 3.93Å; L176-L230 HydrophobicContact CD1-CD1 3.93Å; L176-L230 HydrophobicContact CG-CD1 4.5Å
177G95.8Very high92.4Very high26 Ų2667.6 Ų67.627%0.26837%0.37SS..EExtended strand (participates in β ladder)trans-87.9-130167.500000110.7E161 C179E161-G177 PolarHBondContact O-N 3.23Å; G177-C179 PolarHBondContact O-N 3.4Å
178D96.6Very high92.5Very high127 Ų12767.6 Ų67.668%0.67937%0.369SS*.EExtended strand (participates in β ladder)trans-66.4130.2176.3-74.1-17.9000111.7E161E161-D178 HydrophobicContact CB-CB 4.39Å; E161-D178 WeakPolarHBondContact CB-O 3.28Å; E161-D178 PolarHBondContact N-O 2.88Å; E161-D178 PolarHBondContact OE2-N 3.37Å
179C97.4Very high92.5Very high22 Ų2260.9 Ų60.915%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-131.3115174-176.40000110.6T159 L176 G177 Q219 C223T159-C179 WeakPolarHBondContact O-CA 3.37Å; L176-C179 HydrophobicContact CD1-CB 4.14Å; L176-C179 HydrophobicContact CD2-CB 4.01Å; L176-C179 HydrophobicContact CG-CB 4.27Å; G177-C179 PolarHBondContact O-N 3.4Å; C179-Q219 PolarHBondContact O-NE2 2.84Å; C179-C223 HydrophobicContact CB-CB 3.67Å; C179-C223 WeakPolarHBondContact CB-SG 3.44Å; C179-C223 PolarHBondContact O-SG 3.37Å; C179-C223 VanDerWaalsContact O-SG 3.36Å; C179-C223 WeakPolarHBondContact SG-CA 3.33Å; C179-C223 WeakPolarHBondContact SG-CB 3.5Å; C179-C223 CovalentContact SG-SG 2.04Å; C179-C223 PolarHBondContact SG-SG 3.45Å
180T96.5Very high92.5Very high62 Ų6257 Ų5738%0.3833%0.332SS..EExtended strand (participates in β ladder)trans-151.8161.9-174.6-168.70000112.5T159 Q219T159-T180 PolarHBondContact N-O 3.37Å; T159-T180 PolarHBondContact O-N 2.91Å; T159-T180 VanDerWaalsContact O-O 3.12Å; T180-Q219 PolarHBondContact OG1-OE1 3.21Å
181H94.2Very high92.5Very high55 Ų5559.6 Ų59.626%0.25534%0.339SS..EExtended strand (participates in β ladder)trans-67.6142.2171.765.4-83.6000111.4L156 N157 I158 P183 P215 Q219L156-H181 HydrophobicContact CD1-CB 4.22Å; N157-H181 CarbonylContact O-C 3.48Å; N157-H181 WeakPolarHBondContact O-CA 3.1Å; I158-H181 HydrophobicContact CD1-CB 3.81Å; H181-P183 WeakPolarHBondContact O-CD 3.23Å; H181-P215 HydrophobicContact CB-CB 4.1Å; H181-Q219 VanDerWaalsContact N-OE1 3.15Å; H181-Q219 PolarHBondContact ND1-OE1 2.78Å
182S92.1Very high92Very high19 Ų1956.6 Ų56.613%0.13334%0.335CS..PPolyproline II helixtrans-72.7124.7178.5-43.90000109.7N157 T159 G184 S185N157-S182 WeakPolarHBondContact CB-OG 3.28Å; N157-S182 PolarHBondContact O-N 3.12Å; N157-S182 PolarHBondContact O-OG 3.12Å; T159-S182 PolarHBondContact OG1-OG 3.26Å; S182-G184 PolarHBondContact O-N 3.18Å; S182-S185 WeakPolarHBondContact O-CB 3.26Å; S182-S185 PolarHBondContact O-N 3.04Å; S182-S185 VanDerWaalsContact O-N 3.12Å; S182-S185 PolarHBondContact O-OG 3.44Å
183P88.8Confident90.8Very high122 Ų12255.8 Ų55.879%0.79233%0.333SS*.THydrogen-bonded Turntrans-55.8133179.1-26.434.9000111.9H181 S185H181-P183 WeakPolarHBondContact O-CD 3.23Å; P183-S185 PolarHBondContact O-N 2.69Å
184G89.8Confident89.2Confident71 Ų7158 Ų5873%0.73235%0.347SS*.THydrogen-bonded Turntrans72.72.317900000115.8S182 L186S182-G184 PolarHBondContact O-N 3.18Å; G184-L186 VanDerWaalsContact C-N 3.34Å
185S92Very high87.5Confident11 Ų1158 Ų588%0.07735%0.352CS..  trans-80-14.617767.60000114.3N157 S182 P183 H187N157-S185 PolarHBondContact N-OG 3.41Å; N157-S185 VanDerWaalsContact N-OG 3.09Å; N157-S185 PolarHBondContact O-OG 3.43Å; S182-S185 WeakPolarHBondContact O-CB 3.26Å; S182-S185 PolarHBondContact O-N 3.04Å; S182-S185 VanDerWaalsContact O-N 3.12Å; S182-S185 PolarHBondContact O-OG 3.44Å; P183-S185 PolarHBondContact O-N 2.69Å; S185-H187 PolarHBondContact O-CD2 3.33Å; S185-H187 PolarHBondContact O-N 3.41Å
186L94.4Very high85.6Confident28 Ų2862.9 Ų62.915%0.14738%0.384CS..  trans-70.4115.4176.9-179.461.6000109.7V154 K155 L156 G184 I188 N211 L214 P215V154-L186 HydrophobicContact CG1-CD1 3.47Å; V154-L186 VanDerWaalsContact CG1-CD1 3.47Å; K155-L186 CarbonylContact O-C 3.55Å; K155-L186 VanDerWaalsContact O-CA 3.3Å; K155-L186 WeakPolarHBondContact O-CA 3.16Å; L156-L186 HydrophobicContact CB-CD1 4.33Å; L156-L186 HydrophobicContact CD1-CB 3.91Å; L156-L186 HydrophobicContact CD1-CD1 4.24Å; G184-L186 VanDerWaalsContact C-N 3.34Å; L186-I188 HydrophobicContact CD1-CD1 4.41Å; L186-I188 HydrophobicContact CD1-CG1 4.08Å; L186-I188 HydrophobicContact CD2-CD1 4.26Å; L186-I188 HydrophobicContact CG-CD1 4.39Å; L186-I188 HydrophobicContact CG-CG1 4.24Å; L186-N211 HydrophobicContact CD2-CB 4.33Å; L186-N211 WeakPolarHBondContact CD2-OD1 3.05Å; L186-L214 HydrophobicContact CD1-CD2 4.13Å; L186-P215 HydrophobicContact CD2-CG 3.81Å
187H94.1Very high83.7Confident111 Ų11165.1 Ų65.151%0.51440%0.396SS..EExtended strand (participates in β ladder)trans-123.6122.6173.6-65-68.4000109.5V154 K155 S185V154-H187 CarbonylContact C-O 3.58Å; V154-H187 VanDerWaalsContact CA-O 3.28Å; V154-H187 WeakPolarHBondContact CA-O 3.41Å; K155-H187 HydrophobicContact CB-CB 4.43Å; K155-H187 PolarHBondContact N-O 3.21Å; K155-H187 PolarHBondContact O-N 2.82Å; S185-H187 PolarHBondContact O-CD2 3.33Å; S185-H187 PolarHBondContact O-N 3.41Å
188I92.1Very high82Confident32 Ų3269.3 Ų69.316%0.16442%0.418CS..EExtended strand (participates in β ladder)trans-115.7119.7176.7-58173.8000106.9L152 A153 V154 L186 T207 L210L152-I188 HydrophobicContact CB-CG2 4.23Å; L152-I188 HydrophobicContact CD1-CG2 4.23Å; L152-I188 HydrophobicContact CD2-CG2 4.48Å; A153-I188 CarbonylContact O-C 3.57Å; A153-I188 WeakPolarHBondContact O-CA 3.38Å; V154-I188 HydrophobicContact CG1-CG1 3.99Å; V154-I188 HydrophobicContact CG2-CG1 4.13Å; V154-I188 HydrophobicContact CG2-CG2 4.35Å; L186-I188 HydrophobicContact CD1-CD1 4.41Å; L186-I188 HydrophobicContact CD1-CG1 4.08Å; L186-I188 HydrophobicContact CD2-CD1 4.26Å; L186-I188 HydrophobicContact CG-CD1 4.39Å; L186-I188 HydrophobicContact CG-CG1 4.24Å; I188-T207 HydrophobicContact CB-CG2 4.29Å; I188-T207 HydrophobicContact CD1-CG2 4.16Å; I188-T207 HydrophobicContact CG2-CG2 4.44Å; I188-L210 HydrophobicContact CD1-CB 3.65Å; I188-L210 HydrophobicContact CD1-CD1 4.32Å
189S90.3Very high80.6Confident71 Ų7164.5 Ų64.550%0.49739%0.392SS..EExtended strand (participates in β ladder)trans-123.5142.3-179.6-63.70000110.1L152 A153 L191L152-S189 CarbonylContact C-O 3.57Å; L152-S189 VanDerWaalsContact CA-O 3.3Å; L152-S189 WeakPolarHBondContact CA-O 3.08Å; A153-S189 PolarHBondContact N-O 2.89Å; A153-S189 PolarHBondContact O-N 2.86Å; S189-L191 PolarHBondContact O-N 2.92Å
190L87.9Confident79.3Confident56 Ų5670.2 Ų70.229%0.29342%0.417SS..EExtended strand (participates in β ladder)trans-76.1123.4173-175.862.9000109.8L150 L152 D192 L194 L203L150-L190 HydrophobicContact CD1-CD1 3.34Å; L150-L190 HydrophobicContact CG-CD1 4.39Å; L152-L190 HydrophobicContact CD2-CD1 3.82Å; L190-D192 VanDerWaalsContact CD1-O 3.29Å; L190-D192 WeakPolarHBondContact CD1-O 3.49Å; L190-L194 HydrophobicContact CD2-CD1 3.94Å; L190-L194 HydrophobicContact CD2-CD2 3.56Å; L190-L194 HydrophobicContact CD2-CG 3.56Å; L190-L203 HydrophobicContact CD2-CD2 4.18Å
191L84.5Confident78.1Confident82 Ų8268.6 Ų68.643%0.42941%0.412SS..EExtended strand (participates in β ladder)trans-88-54.2172.8-69176.2000110.4R151 A153 S189R151-L191 HydrophobicContact CB-CB 4.02Å; R151-L191 PolarHBondContact O-N 3.39Å; A153-L191 HydrophobicContact CB-CD1 3.87Å; A153-L191 HydrophobicContact CB-CD2 3.76Å; A153-L191 HydrophobicContact CB-CG 3.69Å; S189-L191 PolarHBondContact O-N 2.92Å
192D77.7Confident77.1Confident103 Ų10366.6 Ų66.655%0.55140%0.403SS*.EExtended strand (participates in β ladder)trans-148.9158.6-177.3-71.1-53.2000109.9R151 L190R151-D192 HydrophobicContact CB-CB 4.31Å; R151-D192 PolarHBondContact N-O 3.49Å; R151-D192 PolarHBondContact O-N 3.4Å; L190-D192 VanDerWaalsContact CD1-O 3.29Å; L190-D192 WeakPolarHBondContact CD1-O 3.49Å
193G64.9Low76.4Confident9 Ų967.2 Ų67.29%0.09341%0.405CS..  trans136-1.8169.500000115.9G195 I199G193-G195 PolarHBondContact O-N 2.96Å; G193-I199 WeakPolarHBondContact O-CD1 3.34Å
194L58.3Low75.9Confident118 Ų11866.5 Ų66.562%0.61840%0.395SS*.  trans-78.762.5177.7-58.5174.8000111.9L190 I199L190-L194 HydrophobicContact CD2-CD1 3.94Å; L190-L194 HydrophobicContact CD2-CD2 3.56Å; L190-L194 HydrophobicContact CD2-CG 3.56Å; L194-I199 HydrophobicContact CD2-CD1 3.98Å; L194-I199 HydrophobicContact CD2-CG1 4.06Å
195G58.9Low75.3Confident19 Ų1964 Ų6420%0.19637%0.366CS..  trans-55.6176.6159.800000110.9G193 L197G193-G195 PolarHBondContact O-N 2.96Å; G195-L197 PolarHBondContact O-N 3.43Å
196P54.2Low74.7Confident141 Ų14163.6 Ų63.692%0.91636%0.363SS*.SBendtrans-65.711.4-176.828.2-35.5000115.1
197L56.6Low74.2Confident83 Ų8363.7 Ų63.744%0.43537%0.365SS..SBendtrans-96.1144.5-174.9-70161.6000111.3A147 G195 I199A147-L197 HydrophobicContact CB-CD1 4.36Å; G195-L197 PolarHBondContact O-N 3.43Å; L197-I199 HydrophobicContact CB-CG2 4.01Å; L197-I199 PolarHBondContact O-N 2.87Å
198P60.3Low73.6Confident114 Ų11459.9 Ų59.974%0.7436%0.356SS*.  trans-74.575.2175.531.8-34.4000110.8Q200P198-Q200 VanDerWaalsContact C-N 3.34Å
199I67.3Low73.1Confident26 Ų2658.8 Ų58.813%0.13335%0.35CS..  trans-89.16-178.857.5157.5000114.1L150 G193 L194 L197 G201 L202 L203L150-I199 HydrophobicContact CD1-CD1 4.07Å; G193-I199 WeakPolarHBondContact O-CD1 3.34Å; L194-I199 HydrophobicContact CD2-CD1 3.98Å; L194-I199 HydrophobicContact CD2-CG1 4.06Å; L197-I199 HydrophobicContact CB-CG2 4.01Å; L197-I199 PolarHBondContact O-N 2.87Å; I199-G201 VanDerWaalsContact C-N 3.35Å; I199-G201 PolarHBondContact O-N 3.3Å; I199-L202 WeakPolarHBondContact O-CB 3.47Å; I199-L202 PolarHBondContact O-N 3.49Å; I199-L203 PolarHBondContact O-N 3.19Å
200Q70.6Confident72.9Confident142 Ų14255.5 Ų55.566%0.66433%0.327SS*.Hα-helixtrans-60.6-42-179.9-68.2-166.3-5.800112.3P198 L202 L203 D204P198-Q200 VanDerWaalsContact C-N 3.34Å; Q200-L202 VanDerWaalsContact C-N 3.31Å; Q200-L202 PolarHBondContact O-N 2.92Å; Q200-L203 PolarHBondContact O-N 2.85Å; Q200-L203 VanDerWaalsContact O-N 3.17Å; Q200-D204 WeakPolarHBondContact O-CB 3.33Å; Q200-D204 VanDerWaalsContact O-CG 3.27Å; Q200-D204 PolarHBondContact O-N 2.89Å
201G70.3Confident72.9Confident27 Ų2756.4 Ų56.428%0.27833%0.332SS..Hα-helixtrans-64.3-33.8177.700000113.8I199 S205I199-G201 VanDerWaalsContact C-N 3.35Å; I199-G201 PolarHBondContact O-N 3.3Å; G201-S205 WeakPolarHBondContact O-CB 3.48Å; G201-S205 PolarHBondContact O-N 3.35Å; G201-S205 VanDerWaalsContact O-N 3.14Å; G201-S205 PolarHBondContact O-OG 2.85Å
202L73.1Confident72.9Confident13 Ų1357.8 Ų57.87%0.06834%0.335CS..Hα-helixtrans-67.9-46.6172.7176.765.1000110.6V95 I99 L102 I199 Q200 S205 L206V95-L202 HydrophobicContact CG1-CD1 4.4Å; I99-L202 HydrophobicContact CD1-CB 4.2Å; L102-L202 HydrophobicContact CD1-CD2 4.11Å; L102-L202 HydrophobicContact CD2-CD2 4.18Å; I199-L202 WeakPolarHBondContact O-CB 3.47Å; I199-L202 PolarHBondContact O-N 3.49Å; Q200-L202 VanDerWaalsContact C-N 3.31Å; Q200-L202 PolarHBondContact O-N 2.92Å; L202-S205 PolarHBondContact O-N 2.98Å; L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.26Å; L202-L206 PolarHBondContact O-N 3.36Å
203L77.4Confident73.3Confident32 Ų3253.7 Ų53.717%0.16831%0.313CS..Hα-helixtrans-60.8-45.2179.1179.962.1000111.8L152 L190 I199 Q200 L206 T207L152-L203 HydrophobicContact CD2-CD1 3.56Å; L190-L203 HydrophobicContact CD2-CD2 4.18Å; I199-L203 PolarHBondContact O-N 3.19Å; Q200-L203 PolarHBondContact O-N 2.85Å; Q200-L203 VanDerWaalsContact O-N 3.17Å; L203-L206 PolarHBondContact O-N 3.08Å; L203-T207 WeakPolarHBondContact O-CB 3.31Å; L203-T207 PolarHBondContact O-N 3.04Å; L203-T207 PolarHBondContact O-OG1 3.04Å
204D79Confident74.5Confident108 Ų10853.3 Ų53.358%0.57831%0.309SS*.Hα-helixtrans-64.9-41.6179.1-69.6-21.7000111.3Q200 G208Q200-D204 WeakPolarHBondContact O-CB 3.33Å; Q200-D204 VanDerWaalsContact O-CG 3.27Å; Q200-D204 PolarHBondContact O-N 2.89Å; D204-G208 PolarHBondContact O-N 2.79Å
205S77.4Confident76.2Confident19 Ų1948.1 Ų48.113%0.13328%0.282CS..Hα-helixtrans-68-44.9178.5-58.10000111.6G201 L202 G208 I209G201-S205 WeakPolarHBondContact O-CB 3.48Å; G201-S205 PolarHBondContact O-N 3.35Å; G201-S205 VanDerWaalsContact O-N 3.14Å; G201-S205 PolarHBondContact O-OG 2.85Å; L202-S205 PolarHBondContact O-N 2.98Å; S205-G208 PolarHBondContact O-N 3.1Å; S205-I209 PolarHBondContact O-N 3.39Å; S205-I209 VanDerWaalsContact O-N 3.1Å
206L78.6Confident77.7Confident1 Ų153.2 Ų53.21%0.00530%0.301CS..Hα-helixtrans-65.5-49.9178.8-178.864.8000111L77 I104 I107 V140 L150 L152 L202 L203 G208 I209 L210L77-L206 HydrophobicContact CD1-CD1 4.16Å; L77-L206 HydrophobicContact CD2-CD1 4.33Å; I104-L206 HydrophobicContact CD1-CD1 4.4Å; I107-L206 HydrophobicContact CD1-CD1 4.25Å; V140-L206 HydrophobicContact CG2-CD2 3.77Å; L150-L206 HydrophobicContact CD2-CD2 4.05Å; L152-L206 HydrophobicContact CD1-CD2 3.74Å; L152-L206 HydrophobicContact CD1-CG 4.46Å; L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.26Å; L202-L206 PolarHBondContact O-N 3.36Å; L203-L206 PolarHBondContact O-N 3.08Å; L206-G208 PolarHBondContact O-N 3.5Å; L206-I209 PolarHBondContact O-N 3.48Å; L206-I209 VanDerWaalsContact O-N 3.12Å; L206-L210 HydrophobicContact CD1-CD1 4.15Å; L206-L210 HydrophobicContact CD1-CG 4.16Å; L206-L210 HydrophobicContact CD2-CD1 4.4Å; L206-L210 HydrophobicContact CG-CD1 3.82Å; L206-L210 HydrophobicContact CG-CG 4.25Å; L206-L210 WeakPolarHBondContact O-CB 3.44Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.16Å; L206-L210 PolarHBondContact O-N 2.76Å
207T83.6Confident79.5Confident30 Ų3048.1 Ų48.118%0.18427%0.266CS..Hα-helixtrans-56.9-41.9175.2-57.70000110.6I188 L203 I209 L210 N211I188-T207 HydrophobicContact CB-CG2 4.29Å; I188-T207 HydrophobicContact CD1-CG2 4.16Å; I188-T207 HydrophobicContact CG2-CG2 4.44Å; L203-T207 WeakPolarHBondContact O-CB 3.31Å; L203-T207 PolarHBondContact O-N 3.04Å; L203-T207 PolarHBondContact O-OG1 3.04Å; T207-I209 VanDerWaalsContact C-N 3.33Å; T207-I209 PolarHBondContact O-N 3.04Å; T207-L210 PolarHBondContact O-N 2.89Å; T207-N211 VanDerWaalsContact O-CB 3.25Å; T207-N211 WeakPolarHBondContact O-CB 3.34Å; T207-N211 PolarHBondContact O-N 3.14Å; T207-N211 PolarHBondContact O-ND2 3.36Å
208G83.1Confident81.3Confident32 Ų3244.4 Ų44.433%0.3325%0.247SC..Hα-helixtrans-61.1-35.2176.900000114.5D204 S205 L206D204-G208 PolarHBondContact O-N 2.79Å; S205-G208 PolarHBondContact O-N 3.1Å; L206-G208 PolarHBondContact O-N 3.5Å
209I81.2Confident82.9Confident9 Ų941.3 Ų41.35%0.04622%0.222CC..Hα-helixtrans-80.2-46.7175.2-63.3175.3000111.3L77 V95 S205 L206 T207 N211 K212 V213L77-I209 HydrophobicContact CD2-CB 3.99Å; L77-I209 HydrophobicContact CD2-CD1 4.23Å; L77-I209 HydrophobicContact CD2-CG2 3.42Å; L77-I209 VanDerWaalsContact CD2-CG2 3.42Å; V95-I209 HydrophobicContact CB-CD1 4.42Å; V95-I209 HydrophobicContact CG2-CD1 3.32Å; V95-I209 HydrophobicContact CG2-CG1 4.37Å; S205-I209 PolarHBondContact O-N 3.39Å; S205-I209 VanDerWaalsContact O-N 3.1Å; L206-I209 PolarHBondContact O-N 3.48Å; L206-I209 VanDerWaalsContact O-N 3.12Å; T207-I209 VanDerWaalsContact C-N 3.33Å; T207-I209 PolarHBondContact O-N 3.04Å; I209-N211 PolarHBondContact O-N 3.22Å; I209-K212 PolarHBondContact O-N 3.13Å; I209-V213 HydrophobicContact CG2-CG2 3.88Å; I209-V213 PolarHBondContact O-N 3.13Å
210L85.9Confident84.2Confident1 Ų142.4 Ų42.41%0.00524%0.24CC..Hα-helixtrans-56.1-36.3178.1-70175.9000111.1L77 L138 L152 I188 L206 T207 K212 V213 L214L77-L210 HydrophobicContact CD1-CD2 4.3Å; L138-L210 HydrophobicContact CD1-CD1 3.57Å; L138-L210 HydrophobicContact CD1-CD2 4.1Å; L138-L210 HydrophobicContact CD1-CG 4.49Å; L152-L210 HydrophobicContact CD1-CD1 4.02Å; I188-L210 HydrophobicContact CD1-CB 3.65Å; I188-L210 HydrophobicContact CD1-CD1 4.32Å; L206-L210 HydrophobicContact CD1-CD1 4.15Å; L206-L210 HydrophobicContact CD1-CG 4.16Å; L206-L210 HydrophobicContact CD2-CD1 4.4Å; L206-L210 HydrophobicContact CG-CD1 3.82Å; L206-L210 HydrophobicContact CG-CG 4.25Å; L206-L210 WeakPolarHBondContact O-CB 3.44Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.16Å; L206-L210 PolarHBondContact O-N 2.76Å; T207-L210 PolarHBondContact O-N 2.89Å; L210-K212 PolarHBondContact O-N 2.84Å; L210-K212 VanDerWaalsContact O-N 3.13Å; L210-V213 PolarHBondContact O-N 2.86Å; L210-L214 WeakPolarHBondContact O-CB 3.47Å; L210-L214 PolarHBondContact O-N 3.41Å
211N87.7Confident85.3Confident75 Ų7540.8 Ų40.840%0.40123%0.231SC..Hα-helixtrans-57.9-24.5174.8-82.7-25.6000114.9L186 T207 I209L186-N211 HydrophobicContact CD2-CB 4.33Å; L186-N211 WeakPolarHBondContact CD2-OD1 3.05Å; T207-N211 VanDerWaalsContact O-CB 3.25Å; T207-N211 WeakPolarHBondContact O-CB 3.34Å; T207-N211 PolarHBondContact O-N 3.14Å; T207-N211 PolarHBondContact O-ND2 3.36Å; I209-N211 PolarHBondContact O-N 3.22Å
212K84.7Confident86.6Confident112 Ų11239.5 Ų39.549%0.48722%0.217SC..Hα-helixtrans-101.8-35-179.1-69.4173.1177-164.20112.7L91 I209 L210L91-K212 HydrophobicContact CD2-CD 3.13Å; L91-K212 HydrophobicContact CD2-CG 4.46Å; L91-K212 HydrophobicContact CG-CD 4.44Å; I209-K212 PolarHBondContact O-N 3.13Å; L210-K212 PolarHBondContact O-N 2.84Å; L210-K212 VanDerWaalsContact O-N 3.13Å
213V86.1Confident87.7Confident17 Ų1739.6 Ų39.610%0.10322%0.219CC..Hα-helixtrans-90.4-43.1-171.6168.80000111.8I76 I209 L210 E216 L217I76-V213 HydrophobicContact CB-CG1 4.16Å; I76-V213 HydrophobicContact CD1-CG1 4.09Å; I76-V213 HydrophobicContact CG2-CB 4.25Å; I76-V213 HydrophobicContact CG2-CG1 3.44Å; I76-V213 VanDerWaalsContact CG2-CG1 3.44Å; I76-V213 HydrophobicContact CG2-CG2 3.76Å; I209-V213 HydrophobicContact CG2-CG2 3.88Å; I209-V213 PolarHBondContact O-N 3.13Å; L210-V213 PolarHBondContact O-N 2.86Å; V213-E216 PolarHBondContact O-N 3.47Å; V213-L217 HydrophobicContact CG1-CD1 3.47Å; V213-L217 VanDerWaalsContact CG1-CD1 3.47Å; V213-L217 HydrophobicContact CG1-CG 4.02Å; V213-L217 WeakPolarHBondContact O-CG 3.36Å; V213-L217 PolarHBondContact O-N 2.86Å; V213-L217 VanDerWaalsContact O-N 3.11Å
214L90.8Very high88.7Confident1 Ų141.7 Ų41.71%0.00523%0.234CC..Hα-helixtrans-65.1-42.1-170.1-168.468.5000113.3L71 L73 I136 V154 L186 L210 E216 L217 V218L71-L214 HydrophobicContact CD1-CD1 4.41Å; L73-L214 HydrophobicContact CD1-CD1 4.45Å; L73-L214 HydrophobicContact CD2-CD1 3.6Å; I136-L214 HydrophobicContact CD1-CD1 4.27Å; I136-L214 HydrophobicContact CD1-CD2 4.33Å; V154-L214 HydrophobicContact CB-CD2 4.32Å; V154-L214 HydrophobicContact CG1-CD2 3.45Å; V154-L214 VanDerWaalsContact CG1-CD2 3.45Å; V154-L214 HydrophobicContact CG2-CD2 4.45Å; L186-L214 HydrophobicContact CD1-CD2 4.13Å; L210-L214 WeakPolarHBondContact O-CB 3.47Å; L210-L214 PolarHBondContact O-N 3.41Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-E216 PolarHBondContact O-N 2.97Å; L214-L217 PolarHBondContact O-N 3.43Å; L214-V218 HydrophobicContact CD1-CG2 4.05Å; L214-V218 HydrophobicContact CG-CG2 4.14Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.39Å; L214-V218 PolarHBondContact O-N 2.85Å
215P92.9Very high89.6Confident8 Ų837 Ų375%0.05221%0.209CC..Hα-helixtrans-58.6-45.1177.5-25.135.4000113L156 H181 L186 Q219L156-P215 HydrophobicContact CD1-CB 4.44Å; L156-P215 HydrophobicContact CD1-CG 4.46Å; H181-P215 HydrophobicContact CB-CB 4.1Å; L186-P215 HydrophobicContact CD2-CG 3.81Å; P215-Q219 WeakPolarHBondContact O-CB 3.48Å; P215-Q219 PolarHBondContact O-N 3.17Å
216E90.8Very high90.5Very high126 Ų12636.3 Ų36.359%0.58920%0.204SC*.Hα-helixtrans-66.5-40.3-179.2-64.4-172.117300111.9V213 L214 G220V213-E216 PolarHBondContact O-N 3.47Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-E216 PolarHBondContact O-N 2.97Å; E216-G220 PolarHBondContact O-N 2.72Å
217L91.1Very high91.4Very high35 Ų3540.1 Ų40.118%0.18323%0.225CC..Hα-helixtrans-66.2-48.5177.7-73.5174.6000112.9L73 I76 V213 L214 G220 K221L73-L217 HydrophobicContact CD2-CD1 3.66Å; I76-L217 HydrophobicContact CD1-CD1 3.37Å; I76-L217 HydrophobicContact CD1-CD2 3.46Å; I76-L217 VanDerWaalsContact CD1-CD2 3.46Å; I76-L217 HydrophobicContact CD1-CG 3.86Å; V213-L217 HydrophobicContact CG1-CD1 3.47Å; V213-L217 VanDerWaalsContact CG1-CD1 3.47Å; V213-L217 HydrophobicContact CG1-CG 4.02Å; V213-L217 WeakPolarHBondContact O-CG 3.36Å; V213-L217 PolarHBondContact O-N 2.86Å; V213-L217 VanDerWaalsContact O-N 3.11Å; L214-L217 PolarHBondContact O-N 3.43Å; L217-G220 PolarHBondContact O-N 3.48Å; L217-K221 WeakPolarHBondContact O-CG 3.33Å; L217-K221 PolarHBondContact O-N 2.88Å
218V94.4Very high91.9Very high5 Ų544.9 Ų44.93%0.0325%0.245CC..Hα-helixtrans-64.6-46.5-179.31760000109.2L68 L71 L134 L156 I158 L214 G220 K221 V222L68-V218 HydrophobicContact CD2-CG1 4.05Å; L68-V218 HydrophobicContact CD2-CG2 4.33Å; L71-V218 HydrophobicContact CD1-CG2 3.94Å; L134-V218 HydrophobicContact CD1-CG1 3.5Å; L134-V218 VanDerWaalsContact CD1-CG1 3.5Å; L156-V218 HydrophobicContact CD2-CB 3.67Å; L156-V218 HydrophobicContact CD2-CG1 3.87Å; L156-V218 HydrophobicContact CD2-CG2 3.96Å; I158-V218 HydrophobicContact CD1-CG1 4.19Å; I158-V218 HydrophobicContact CG1-CG1 4.27Å; L214-V218 HydrophobicContact CD1-CG2 4.05Å; L214-V218 HydrophobicContact CG-CG2 4.14Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.39Å; L214-V218 PolarHBondContact O-N 2.85Å; V218-G220 VanDerWaalsContact C-N 3.33Å; V218-G220 PolarHBondContact O-N 2.84Å; V218-K221 PolarHBondContact O-N 2.77Å; V218-K221 VanDerWaalsContact O-N 3.13Å; V218-V222 HydrophobicContact CG1-CG2 3.76Å; V218-V222 WeakPolarHBondContact O-CB 3.43Å; V218-V222 WeakPolarHBondContact O-CG2 3.47Å; V218-V222 PolarHBondContact O-N 3.02Å
219Q95Very high92.6Very high49 Ų4944.1 Ų44.123%0.22923%0.234CC..Hα-helixtrans-55.1-47.9174.3179.3-175.1-42.500111.8I158 C179 T180 H181 P215 K221 V222 C223I158-Q219 HydrophobicContact CD1-CB 4.18Å; C179-Q219 PolarHBondContact O-NE2 2.84Å; T180-Q219 PolarHBondContact OG1-OE1 3.21Å; H181-Q219 VanDerWaalsContact N-OE1 3.15Å; H181-Q219 PolarHBondContact ND1-OE1 2.78Å; P215-Q219 WeakPolarHBondContact O-CB 3.48Å; P215-Q219 PolarHBondContact O-N 3.17Å; Q219-K221 PolarHBondContact O-N 2.77Å; Q219-K221 VanDerWaalsContact O-N 3.13Å; Q219-V222 PolarHBondContact O-N 3.33Å; Q219-C223 WeakPolarHBondContact O-CB 3.3Å; Q219-C223 PolarHBondContact O-N 2.84Å; Q219-C223 PolarHBondContact O-SG 2.86Å
220G94.4Very high93.2Very high48 Ų4844 Ų4450%0.49523%0.233SC..Hα-helixtrans-63.8-16.7-178.800000114.7E216 L217 V218 P224E216-G220 PolarHBondContact O-N 2.72Å; L217-G220 PolarHBondContact O-N 3.48Å; V218-G220 VanDerWaalsContact C-N 3.33Å; V218-G220 PolarHBondContact O-N 2.84Å; G220-P224 WeakPolarHBondContact O-CG 3.39Å
221K94.7Very high93.6Very high109 Ų10948.6 Ų48.647%0.47427%0.265SS..Hα-helixtrans-103-38.5176.2-66.8-59.5-175.8-178.80113.4I67 L71 L217 V218 Q219I67-K221 HydrophobicContact CG2-CB 3.6Å; I67-K221 HydrophobicContact CG2-CD 4.37Å; I67-K221 HydrophobicContact CG2-CG 4.07Å; L71-K221 HydrophobicContact CD2-CG 4.03Å; L217-K221 WeakPolarHBondContact O-CG 3.33Å; L217-K221 PolarHBondContact O-N 2.88Å; V218-K221 PolarHBondContact O-N 2.77Å; V218-K221 VanDerWaalsContact O-N 3.13Å; Q219-K221 PolarHBondContact O-N 2.77Å; Q219-K221 VanDerWaalsContact O-N 3.13Å
222V96.3Very high93.8Very high0 Ų048 Ų480%028%0.277CS..Hα-helixtrans-77.6-41.5-176.1177.10000111.4L64 I132 L134 I158 V218 Q219 L225 V226L64-V222 HydrophobicContact CD1-CG2 3.72Å; I132-V222 HydrophobicContact CD1-CG1 4.32Å; L134-V222 HydrophobicContact CD1-CG2 3.85Å; I158-V222 HydrophobicContact CB-CG1 4.46Å; I158-V222 HydrophobicContact CG1-CB 4.37Å; I158-V222 HydrophobicContact CG1-CG1 4.24Å; I158-V222 HydrophobicContact CG2-CG1 4.37Å; V218-V222 HydrophobicContact CG1-CG2 3.76Å; V218-V222 WeakPolarHBondContact O-CB 3.43Å; V218-V222 WeakPolarHBondContact O-CG2 3.47Å; V218-V222 PolarHBondContact O-N 3.02Å; Q219-V222 PolarHBondContact O-N 3.33Å; V222-L225 WeakPolarHBondContact O-CB 3.34Å; V222-L225 PolarHBondContact O-N 3.42Å; V222-L225 VanDerWaalsContact O-N 3.13Å; V222-V226 HydrophobicContact CG1-CG2 4.06Å; V222-V226 WeakPolarHBondContact O-CG2 3.13Å; V222-V226 PolarHBondContact O-N 2.9Å
223C97.3Very high94.3Very high14 Ų1443.6 Ų43.610%0.09526%0.259CS..Hα-helixtrans-62-44.2-176.9-69.30000114.1L176 C179 Q219 L225 V226 N227L176-C223 WeakPolarHBondContact CD2-O 3.4Å; C179-C223 HydrophobicContact CB-CB 3.67Å; C179-C223 WeakPolarHBondContact CB-SG 3.44Å; C179-C223 PolarHBondContact O-SG 3.37Å; C179-C223 VanDerWaalsContact O-SG 3.36Å; C179-C223 WeakPolarHBondContact SG-CA 3.33Å; C179-C223 WeakPolarHBondContact SG-CB 3.5Å; C179-C223 CovalentContact SG-SG 2.04Å; C179-C223 PolarHBondContact SG-SG 3.45Å; Q219-C223 WeakPolarHBondContact O-CB 3.3Å; Q219-C223 PolarHBondContact O-N 2.84Å; Q219-C223 PolarHBondContact O-SG 2.86Å; C223-L225 VanDerWaalsContact C-N 3.29Å; C223-L225 PolarHBondContact O-N 3.3Å; C223-V226 PolarHBondContact O-N 3.42Å; C223-N227 PolarHBondContact O-N 3.02Å; C223-N227 VanDerWaalsContact O-N 3.09Å
224P97.3Very high94.6Very high77 Ų7747.4 Ų47.450%0.528%0.279SS..Hα-helixtrans-59.7-39.6172.6-25.235.5000112.9G220 N227 E228G220-P224 WeakPolarHBondContact O-CG 3.39Å; P224-N227 WeakPolarHBondContact O-CB 3.47Å; P224-N227 PolarHBondContact O-N 3.13Å; P224-E228 PolarHBondContact O-N 3.3Å
225L97.4Very high94.6Very high9 Ų953.1 Ų53.15%0.04731%0.313CS..Hα-helixtrans-65.4-41.5177.8-178.466000111.6L59 L64 I67 V222 C223 N227 E228 V229L59-L225 HydrophobicContact CD2-CD2 3.84Å; L59-L225 HydrophobicContact CD2-CG 3.97Å; L64-L225 HydrophobicContact CB-CD2 3.78Å; L64-L225 HydrophobicContact CD1-CD2 4.18Å; I67-L225 HydrophobicContact CD1-CD2 4.12Å; V222-L225 WeakPolarHBondContact O-CB 3.34Å; V222-L225 PolarHBondContact O-N 3.42Å; V222-L225 VanDerWaalsContact O-N 3.13Å; C223-L225 VanDerWaalsContact C-N 3.29Å; C223-L225 PolarHBondContact O-N 3.3Å; L225-N227 VanDerWaalsContact C-N 3.28Å; L225-N227 PolarHBondContact O-N 2.88Å; L225-E228 PolarHBondContact O-N 3.4Å; L225-V229 HydrophobicContact CD1-CG2 4.45Å; L225-V229 HydrophobicContact CG-CG2 4.48Å; L225-V229 VanDerWaalsContact O-CG2 3.29Å; L225-V229 WeakPolarHBondContact O-CG2 3.36Å; L225-V229 PolarHBondContact O-N 3Å
226V97.3Very high94.6Very high4 Ų456.9 Ų56.92%0.02434%0.336CS..Hα-helixtrans-58.8-43.4174.3175.10000110.5L59 I132 A160 L176 V222 C223 E228 V229 L230L59-V226 HydrophobicContact CD2-CG2 3.89Å; I132-V226 HydrophobicContact CD1-CG2 3.44Å; I132-V226 VanDerWaalsContact CD1-CG2 3.44Å; A160-V226 HydrophobicContact CB-CG1 4.07Å; L176-V226 HydrophobicContact CD1-CG1 3.87Å; V222-V226 HydrophobicContact CG1-CG2 4.06Å; V222-V226 WeakPolarHBondContact O-CG2 3.13Å; V222-V226 PolarHBondContact O-N 2.9Å; C223-V226 PolarHBondContact O-N 3.42Å; V226-E228 VanDerWaalsContact C-N 3.35Å; V226-E228 PolarHBondContact O-N 3.16Å; V226-V229 PolarHBondContact O-N 3.45Å; V226-L230 HydrophobicContact CG1-CD1 3.86Å; V226-L230 HydrophobicContact CG1-CG 4.29Å; V226-L230 WeakPolarHBondContact O-CB 3.29Å; V226-L230 VanDerWaalsContact O-CG 3.27Å; V226-L230 WeakPolarHBondContact O-CG 3.2Å; V226-L230 PolarHBondContact O-N 3.23Å
227N96.6Very high94.7Very high82 Ų8251.7 Ų51.744%0.43931%0.312SS..Hα-helixtrans-62-42.8177.5-171.456.4000112.2L176 C223 P224 L225 L230 S231L176-N227 HydrophobicContact CB-CB 4.29Å; L176-N227 HydrophobicContact CD2-CB 3.73Å; C223-N227 PolarHBondContact O-N 3.02Å; C223-N227 VanDerWaalsContact O-N 3.09Å; P224-N227 WeakPolarHBondContact O-CB 3.47Å; P224-N227 PolarHBondContact O-N 3.13Å; L225-N227 VanDerWaalsContact C-N 3.28Å; L225-N227 PolarHBondContact O-N 2.88Å; N227-L230 PolarHBondContact O-N 2.98Å; N227-S231 PolarHBondContact O-N 2.8Å
228E96Very high94.8Very high129 Ų12950.9 Ų50.960%0.60331%0.311SS*.Hα-helixtrans-61.1-48.8176.1-174.4176.4174.400111.2P224 L225 V226 L230 S231 G232P224-E228 PolarHBondContact O-N 3.3Å; L225-E228 PolarHBondContact O-N 3.4Å; V226-E228 VanDerWaalsContact C-N 3.35Å; V226-E228 PolarHBondContact O-N 3.16Å; E228-L230 PolarHBondContact O-N 3.14Å; E228-S231 PolarHBondContact O-N 3.22Å; E228-S231 PolarHBondContact O-OG 3.44Å; E228-G232 PolarHBondContact O-N 3.37Å; E228-G232 VanDerWaalsContact O-N 3.12Å
229V96.2Very high94.7Very high16 Ų1655.1 Ų55.110%0.09733%0.33CS..Hα-helixtrans-61.3-43.3178.1173.60000111.5L55 G58 L225 V226 S231 G232 L233L55-V229 HydrophobicContact CD2-CG1 3.98Å; G58-V229 WeakPolarHBondContact O-CG2 3.49Å; L225-V229 HydrophobicContact CD1-CG2 4.45Å; L225-V229 HydrophobicContact CG-CG2 4.48Å; L225-V229 VanDerWaalsContact O-CG2 3.29Å; L225-V229 WeakPolarHBondContact O-CG2 3.36Å; L225-V229 PolarHBondContact O-N 3Å; V226-V229 PolarHBondContact O-N 3.45Å; V229-S231 VanDerWaalsContact C-N 3.3Å; V229-S231 PolarHBondContact O-N 3.35Å; V229-G232 CarbonylContact O-C 3.57Å; V229-G232 PolarHBondContact O-N 3.31Å; V229-G232 VanDerWaalsContact O-N 3.12Å; V229-L233 PolarHBondContact O-N 3.44Å
230L95.2Very high94.6Very high7 Ų755.3 Ų55.34%0.03733%0.333CS..Hα-helixtrans-59.4-41.5176.6-78170.3000112L55 I162 L176 V226 N227 E228 G232 L233L55-L230 HydrophobicContact CD2-CD2 3.78Å; L55-L230 HydrophobicContact CD2-CG 4.15Å; I162-L230 HydrophobicContact CD1-CD1 4.5Å; I162-L230 HydrophobicContact CD1-CD2 3.7Å; I162-L230 HydrophobicContact CG1-CD1 4.08Å; I162-L230 HydrophobicContact CG1-CD2 4.08Å; I162-L230 HydrophobicContact CG2-CD2 4.34Å; L176-L230 HydrophobicContact CB-CD1 3.93Å; L176-L230 HydrophobicContact CD1-CD1 3.93Å; L176-L230 HydrophobicContact CG-CD1 4.5Å; V226-L230 HydrophobicContact CG1-CD1 3.86Å; V226-L230 HydrophobicContact CG1-CG 4.29Å; V226-L230 WeakPolarHBondContact O-CB 3.29Å; V226-L230 VanDerWaalsContact O-CG 3.27Å; V226-L230 WeakPolarHBondContact O-CG 3.2Å; V226-L230 PolarHBondContact O-N 3.23Å; N227-L230 PolarHBondContact O-N 2.98Å; E228-L230 PolarHBondContact O-N 3.14Å; L230-G232 PolarHBondContact O-N 2.94Å; L230-L233 HydrophobicContact CD2-CD1 3.9Å; L230-L233 PolarHBondContact O-N 3.42Å
231S92.8Very high94.5Very high97 Ų9753 Ų5368%0.67831%0.309SS*.Hα-helixtrans-68.9-22.6178.275.30000113.5N227 E228 V229N227-S231 PolarHBondContact O-N 2.8Å; E228-S231 PolarHBondContact O-N 3.22Å; E228-S231 PolarHBondContact O-OG 3.44Å; V229-S231 VanDerWaalsContact C-N 3.3Å; V229-S231 PolarHBondContact O-N 3.35Å
232G92.6Very high94.5Very high64 Ų6447.9 Ų47.966%0.6629%0.287SS*.THydrogen-bonded Turntrans-99.18.2179.100000115E228 V229 L230E228-G232 PolarHBondContact O-N 3.37Å; E228-G232 VanDerWaalsContact O-N 3.12Å; V229-G232 CarbonylContact O-C 3.57Å; V229-G232 PolarHBondContact O-N 3.31Å; V229-G232 VanDerWaalsContact O-N 3.12Å; L230-G232 PolarHBondContact O-N 2.94Å
233L94.3Very high94.3Very high18 Ų1850.8 Ų50.89%0.09430%0.302CS..SBendtrans-62.4153.9177-73.8179000111.9L51 A54 L174 V229 L230 V235 A238L51-L233 HydrophobicContact CD1-CD1 3.86Å; A54-L233 HydrophobicContact CB-CD2 3.61Å; L174-L233 HydrophobicContact CD1-CD1 4.21Å; V229-L233 PolarHBondContact O-N 3.44Å; L230-L233 HydrophobicContact CD2-CD1 3.9Å; L230-L233 PolarHBondContact O-N 3.42Å; L233-V235 PolarHBondContact O-N 3.24Å; L233-A238 HydrophobicContact CB-CB 4.26Å
234D93.7Very high94.1Very high98 Ų9851.9 Ų51.952%0.52431%0.307SS..  trans-54132.6172.4178.7-94.4000110.5T236 L237 A238D234-T236 PolarHBondContact O-N 2.92Å; D234-T236 WeakPolarHBondContact OD1-CA 3.4Å; D234-T236 WeakPolarHBondContact OD1-CB 3.42Å; D234-T236 PolarHBondContact OD1-N 2.87Å; D234-T236 PolarHBondContact OD1-OG1 2.76Å; D234-L237 HydrophobicContact CB-CB 4.11Å; D234-L237 PolarHBondContact O-N 2.83Å; D234-L237 PolarHBondContact OD1-N 2.78Å; D234-L237 VanDerWaalsContact OD1-N 3.15Å; D234-A238 WeakPolarHBondContact O-CB 3.46Å; D234-A238 PolarHBondContact O-N 2.93Å
235V91.3Very high93.9Very high121 Ų12148.2 Ų48.273%0.73328%0.283SS*.Hα-helixtrans-61.2-35.4-172.4-179.30000111.4L233 H239L233-V235 PolarHBondContact O-N 3.24Å; V235-H239 WeakPolarHBondContact O-CB 3.31Å; V235-H239 PolarHBondContact O-N 3.01Å
236T91.7Very high93.8Very high86 Ų8649.9 Ų49.953%0.52829%0.291SS..Hα-helixtrans-70.4-49.4179-41.20000110.1D234 A238 H239 D240D234-T236 PolarHBondContact O-N 2.92Å; D234-T236 WeakPolarHBondContact OD1-CA 3.4Å; D234-T236 WeakPolarHBondContact OD1-CB 3.42Å; D234-T236 PolarHBondContact OD1-N 2.87Å; D234-T236 PolarHBondContact OD1-OG1 2.76Å; T236-A238 PolarHBondContact O-N 3.48Å; T236-H239 PolarHBondContact O-N 3.12Å; T236-D240 WeakPolarHBondContact O-CB 3.5Å; T236-D240 PolarHBondContact O-N 3.01Å
237L92.6Very high93.6Very high17 Ų1755.1 Ų55.19%0.08932%0.315CS..Hα-helixtrans-59.9-46.9178.4-178.563.3000111.6L47 A54 D234 H239 D240 I241L47-L237 HydrophobicContact CD2-CD1 4.16Å; A54-L237 HydrophobicContact CB-CD2 3.95Å; D234-L237 HydrophobicContact CB-CB 4.11Å; D234-L237 PolarHBondContact O-N 2.83Å; D234-L237 PolarHBondContact OD1-N 2.78Å; D234-L237 VanDerWaalsContact OD1-N 3.15Å; L237-H239 VanDerWaalsContact C-N 3.34Å; L237-H239 PolarHBondContact O-N 3.19Å; L237-D240 PolarHBondContact O-N 2.91Å; L237-I241 HydrophobicContact CD1-CD1 3.64Å; L237-I241 HydrophobicContact CD1-CG1 4.21Å; L237-I241 HydrophobicContact CG-CD1 3.73Å; L237-I241 WeakPolarHBondContact O-CB 3.37Å; L237-I241 WeakPolarHBondContact O-CD1 3.29Å; L237-I241 VanDerWaalsContact O-CG1 3.23Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 2.85Å
238A93.2Very high93.3Very high19 Ų1952.1 Ų52.116%0.15730%0.304CS..Hα-helixtrans-62.1-42.7178.500000111.2L174 L233 D234 T236 A242L174-A238 HydrophobicContact CD1-CB 4.32Å; L233-A238 HydrophobicContact CB-CB 4.26Å; D234-A238 WeakPolarHBondContact O-CB 3.46Å; D234-A238 PolarHBondContact O-N 2.93Å; T236-A238 PolarHBondContact O-N 3.48Å; A238-A242 WeakPolarHBondContact O-CB 3.07Å; A238-A242 PolarHBondContact O-N 3.4Å
239H92.3Very high93.1Very high93 Ų9350.1 Ų50.143%0.43130%0.297SS..Hα-helixtrans-63.8-49.2177.8-175.173.2000112.2V235 T236 L237 I241 A242 N243V235-H239 WeakPolarHBondContact O-CB 3.31Å; V235-H239 PolarHBondContact O-N 3.01Å; T236-H239 PolarHBondContact O-N 3.12Å; L237-H239 VanDerWaalsContact C-N 3.34Å; L237-H239 PolarHBondContact O-N 3.19Å; H239-I241 PolarHBondContact O-N 3.12Å; H239-A242 PolarHBondContact O-N 2.91Å; H239-N243 VanDerWaalsContact O-CB 3.26Å; H239-N243 WeakPolarHBondContact O-CB 3.29Å; H239-N243 PolarHBondContact O-N 2.84Å
240D92.6Very high92.8Very high54 Ų5453.7 Ų53.729%0.28931%0.313SS..Hα-helixtrans-61.6-46.8-177.8-72-16.1000111.3L47 T236 L237 N243 M244L47-D240 HydrophobicContact CD2-CB 4.01Å; T236-D240 WeakPolarHBondContact O-CB 3.5Å; T236-D240 PolarHBondContact O-N 3.01Å; L237-D240 PolarHBondContact O-N 2.91Å; D240-N243 PolarHBondContact O-N 3.44Å; D240-M244 WeakPolarHBondContact O-CG 3.42Å; D240-M244 PolarHBondContact O-N 3.32Å
241I93.4Very high92.5Very high0 Ų053.6 Ų53.60%031%0.312CS..Hα-helixtrans-62.9-47.6177-66.3166.9000110.4L51 L128 L174 L237 H239 N243 M244 L245 F251L51-I241 HydrophobicContact CB-CD1 3.72Å; L51-I241 HydrophobicContact CD1-CD1 3.8Å; L51-I241 HydrophobicContact CD2-CD1 4.11Å; L51-I241 HydrophobicContact CG-CD1 4.06Å; L128-I241 HydrophobicContact CD1-CG2 3.91Å; L174-I241 HydrophobicContact CD1-CB 4.18Å; L174-I241 HydrophobicContact CD1-CG2 3.99Å; L174-I241 HydrophobicContact CD2-CG2 3.99Å; L237-I241 HydrophobicContact CD1-CD1 3.64Å; L237-I241 HydrophobicContact CD1-CG1 4.21Å; L237-I241 HydrophobicContact CG-CD1 3.73Å; L237-I241 WeakPolarHBondContact O-CB 3.37Å; L237-I241 WeakPolarHBondContact O-CD1 3.29Å; L237-I241 VanDerWaalsContact O-CG1 3.23Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 2.85Å; H239-I241 PolarHBondContact O-N 3.12Å; I241-N243 PolarHBondContact O-N 3.18Å; I241-M244 WeakPolarHBondContact O-CB 3.27Å; I241-M244 PolarHBondContact O-N 3.32Å; I241-M244 VanDerWaalsContact O-N 3.14Å; I241-L245 HydrophobicContact CG2-CD1 4.07Å; I241-L245 HydrophobicContact CG2-CG 4.31Å; I241-L245 WeakPolarHBondContact O-CG 3.4Å; I241-L245 PolarHBondContact O-N 2.84Å; I241-F251 HydrophobicContact CG2-CZ 4.04Å
242A93.9Very high92.1Very high0 Ų050 Ų500%029%0.286CS..Hα-helixtrans-65.3-33-177.200000111.8A164 I172 L174 A238 H239 L245 I246A164-A242 HydrophobicContact CB-CB 3.9Å; A164-A242 VanDerWaalsContact CB-O 3.32Å; A164-A242 WeakPolarHBondContact CB-O 3.33Å; I172-A242 HydrophobicContact CG2-CB 3.38Å; L174-A242 HydrophobicContact CD2-CB 3.51Å; L174-A242 HydrophobicContact CG-CB 3.92Å; A238-A242 WeakPolarHBondContact O-CB 3.07Å; A238-A242 PolarHBondContact O-N 3.4Å; H239-A242 PolarHBondContact O-N 2.91Å; A242-L245 PolarHBondContact O-N 2.95Å; A242-I246 WeakPolarHBondContact O-CB 3.41Å; A242-I246 PolarHBondContact O-N 3.4Å
243N92.9Very high91.4Very high61 Ų6152.2 Ų52.233%0.32628%0.281SS..Hα-helixtrans-66.2-41.1174.2-160.521.9000111.7H239 D240 I241 H247H239-N243 VanDerWaalsContact O-CB 3.26Å; H239-N243 WeakPolarHBondContact O-CB 3.29Å; H239-N243 PolarHBondContact O-N 2.84Å; D240-N243 PolarHBondContact O-N 3.44Å; I241-N243 PolarHBondContact O-N 3.18Å; N243-H247 PolarHBondContact O-N 3.19Å; N243-H247 PolarHBondContact O-ND1 2.84Å; N243-H247 PolarHBondContact OD1-CE1 2.91Å; N243-H247 PolarHBondContact OD1-ND1 2.75Å; N243-H247 VanDerWaalsContact OD1-ND1 3.12Å
244M92.8Very high90.2Very high37 Ų3758.8 Ų58.818%0.18231%0.309CS..Hα-helixtrans-61.6-45.5173.5-67.5-65.7-77.100111.7L47 D240 I241 H247 G248 L249 F251L47-M244 HydrophobicContact CD1-CG 4.35Å; D240-M244 WeakPolarHBondContact O-CG 3.42Å; D240-M244 PolarHBondContact O-N 3.32Å; I241-M244 WeakPolarHBondContact O-CB 3.27Å; I241-M244 PolarHBondContact O-N 3.32Å; I241-M244 VanDerWaalsContact O-N 3.14Å; M244-H247 PolarHBondContact O-N 2.89Å; M244-G248 PolarHBondContact O-N 3.42Å; M244-L249 HydrophobicContact CB-CB 4.46Å; M244-L249 HydrophobicContact CE-CB 3.53Å; M244-L249 HydrophobicContact CE-CD1 4.2Å; M244-L249 PolarHBondContact O-N 3.02Å; M244-L249 HydrophobicContact SD-CB 3.9Å; M244-L249 HydrophobicContact SD-CD1 3.65Å; M244-L249 HydrophobicContact SD-CG 4.43Å; M244-F251 HydrophobicContact CB-CD1 3.77Å; M244-F251 HydrophobicContact CB-CE1 3.9Å; M244-F251 HydrophobicContact CE-CB 3.73Å; M244-F251 HydrophobicContact CE-CD1 4.14Å; M244-F251 HydrophobicContact CE-CG 4.29Å; M244-F251 HydrophobicContact CG-CD1 4.25Å
245L94.3Very high88.3Confident1 Ų163.9 Ų63.91%0.00534%0.343CS..Hα-helixtrans-67.3-42.4-179.3-65.1-179.2000112.8G125 H126 L128 A164 L174 I241 A242 H247 G248 F251G125-L245 VanDerWaalsContact O-CD2 3.3Å; G125-L245 WeakPolarHBondContact O-CD2 2.87Å; H126-L245 WeakPolarHBondContact CA-O 3.35Å; H126-L245 PolarHBondContact CD2-O 2.79Å; L128-L245 HydrophobicContact CD1-CD1 3.96Å; L128-L245 HydrophobicContact CD1-CD2 4.31Å; L128-L245 HydrophobicContact CD2-CD2 3.92Å; L128-L245 HydrophobicContact CG-CD1 3.98Å; L128-L245 HydrophobicContact CG-CD2 3.77Å; L128-L245 HydrophobicContact CG-CG 4.43Å; A164-L245 HydrophobicContact CB-CB 3.67Å; A164-L245 HydrophobicContact CB-CD1 4.33Å; L174-L245 HydrophobicContact CD2-CD1 3.91Å; I241-L245 HydrophobicContact CG2-CD1 4.07Å; I241-L245 HydrophobicContact CG2-CG 4.31Å; I241-L245 WeakPolarHBondContact O-CG 3.4Å; I241-L245 PolarHBondContact O-N 2.84Å; A242-L245 PolarHBondContact O-N 2.95Å; L245-H247 PolarHBondContact O-N 3.13Å; L245-G248 PolarHBondContact O-N 3.27Å; L245-G248 VanDerWaalsContact O-N 3.09Å; L245-F251 HydrophobicContact CD2-CE1 3.94Å; L245-F251 HydrophobicContact CG-CE1 4.47Å
246I94Very high88.1Confident43 Ų4361 Ų6122%0.22132%0.324CS..Hα-helixtrans-63.4-27.6179.1-106.4177.6000112.7A164 R166 I172 A242A164-I246 HydrophobicContact CB-CB 4.48Å; A164-I246 HydrophobicContact CB-CG1 3.98Å; R166-I246 HydrophobicContact CB-CD1 4.41Å; I172-I246 HydrophobicContact CB-CD1 4.2Å; I172-I246 HydrophobicContact CD1-CD1 3.82Å; I172-I246 HydrophobicContact CD1-CG2 4.2Å; I172-I246 HydrophobicContact CG1-CD1 3.68Å; I172-I246 HydrophobicContact CG2-CD1 3.56Å; I172-I246 HydrophobicContact CG2-CG1 4.43Å; A242-I246 WeakPolarHBondContact O-CB 3.41Å; A242-I246 PolarHBondContact O-N 3.4Å
247H93.1Very high87.9Confident114 Ų11459.7 Ų59.753%0.52831%0.313SS..THydrogen-bonded Turntrans-96.12.9178.3-65.1101.1000113.3N243 M244 L245 L249N243-H247 PolarHBondContact O-N 3.19Å; N243-H247 PolarHBondContact O-ND1 2.84Å; N243-H247 PolarHBondContact OD1-CE1 2.91Å; N243-H247 PolarHBondContact OD1-ND1 2.75Å; N243-H247 VanDerWaalsContact OD1-ND1 3.12Å; M244-H247 PolarHBondContact O-N 2.89Å; L245-H247 PolarHBondContact O-N 3.13Å; H247-L249 VanDerWaalsContact C-N 3.26Å; H247-L249 HydrophobicContact CB-CD1 4.17Å; H247-L249 HydrophobicContact CB-CG 3.94Å; H247-L249 PolarHBondContact O-N 3.15Å
248G91.1Very high87.7Confident20 Ų2062.1 Ų62.121%0.20633%0.325CS..THydrogen-bonded Turntrans64.826.4-179.300000114D124 M244 L245D124-G248 WeakPolarHBondContact O-CA 3.38Å; M244-G248 PolarHBondContact O-N 3.42Å; L245-G248 PolarHBondContact O-N 3.27Å; L245-G248 VanDerWaalsContact O-N 3.09Å
249L90.9Very high87.3Confident86 Ų8664.6 Ų64.645%0.4534%0.335SS..  trans-83.4127.7-177.5-62.5177.8000110.8Q121 M244 H247Q121-L249 PolarHBondContact NE2-O 3.13Å; M244-L249 HydrophobicContact CB-CB 4.46Å; M244-L249 HydrophobicContact CE-CB 3.53Å; M244-L249 HydrophobicContact CE-CD1 4.2Å; M244-L249 PolarHBondContact O-N 3.02Å; M244-L249 HydrophobicContact SD-CB 3.9Å; M244-L249 HydrophobicContact SD-CD1 3.65Å; M244-L249 HydrophobicContact SD-CG 4.43Å; H247-L249 VanDerWaalsContact C-N 3.26Å; H247-L249 HydrophobicContact CB-CD1 4.17Å; H247-L249 HydrophobicContact CB-CG 3.94Å; H247-L249 PolarHBondContact O-N 3.15Å
250Q89.9Confident87Confident91 Ų9162.8 Ų62.843%0.42533%0.329SS..  trans-77.5128.1177.1-66.3-71.4-16.500110.7Q121 S122 P123Q121-Q250 VanDerWaalsContact OE1-OE1 3.1Å; S122-Q250 PolarHBondContact O-NE2 3.04Å; P123-Q250 PolarHBondContact O-NE2 3.2Å
251F88.4Confident86.6Confident6 Ų663.4 Ų63.43%0.02633%0.332CS..  trans-136.2-11.6175.266.7-85.2000113.6P44 L47 A48 L128 I241 M244 L245P44-F251 HydrophobicContact CB-CB 3.86Å; L47-F251 HydrophobicContact CB-CD2 4.07Å; L47-F251 HydrophobicContact CB-CE2 4.3Å; A48-F251 HydrophobicContact CB-CD2 4.16Å; A48-F251 HydrophobicContact CB-CE2 4.26Å; L128-F251 HydrophobicContact CD1-CZ 3.98Å; L128-F251 HydrophobicContact CD2-CE1 4.2Å; L128-F251 HydrophobicContact CD2-CZ 3.82Å; L128-F251 HydrophobicContact CG-CZ 4.45Å; I241-F251 HydrophobicContact CG2-CZ 4.04Å; M244-F251 HydrophobicContact CB-CD1 3.77Å; M244-F251 HydrophobicContact CB-CE1 3.9Å; M244-F251 HydrophobicContact CE-CB 3.73Å; M244-F251 HydrophobicContact CE-CD1 4.14Å; M244-F251 HydrophobicContact CE-CG 4.29Å; M244-F251 HydrophobicContact CG-CD1 4.25Å; L245-F251 HydrophobicContact CD2-CE1 3.94Å; L245-F251 HydrophobicContact CG-CE1 4.47Å
252V84.9Confident86.2Confident20 Ų2067.9 Ų67.912%0.12136%0.356CS..SBendtrans-87.4113171.6-175.20000109A48 L119 Q121 L128A48-V252 HydrophobicContact CB-CG2 4.2Å; L119-V252 HydrophobicContact CD2-CG2 3.77Å; L119-V252 HydrophobicContact CG-CG1 4.46Å; L119-V252 HydrophobicContact CG-CG2 4.09Å; L119-V252 WeakPolarHBondContact O-CG1 3.41Å; Q121-V252 HydrophobicContact CB-CB 3.86Å; Q121-V252 HydrophobicContact CB-CG2 3.87Å; L128-V252 HydrophobicContact CD2-CG2 3.96Å
253I77.7Confident85.6Confident112 Ų11273.2 Ų73.257%0.57438%0.383SS*.  trans-77.3124.7177.1-58.3175.7000108.6T45 V255T45-I253 HydrophobicContact CG2-CD1 3.98Å; T45-I253 WeakPolarHBondContact OG1-CD1 3.14Å; I253-V255 PolarHBondContact O-N 3.27Å
254K69.4Low85Confident156 Ų15674.2 Ų74.268%0.67839%0.388SS*.  trans-77.9112.2166.6-65.9-179.4-178.8177.10107.6
255V52.9Low84.2Confident204 Ų20477.5 Ų77.5100%1.23641%0.407SS*.  trans-82.80170.9-173.30000109.1I253I253-V255 PolarHBondContact O-N 3.27Å

Retrieved 255 of 255 residues in 416.4 ms (Link to these results)