A0A077ZI30_TRITR Loading...

Small ribosomal subunit protein uS10m

AlphaFold DB , UniProt , Accession A0A077ZI30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.3Very low39.2Very low245 Ų245150.4 Ų150.4100%1.20779%0.785SS**  083.90-139.7159.576.700107.8
2V41.7Very low39.4Very low135 Ų135158.8 Ų158.882%0.81880%0.799SS**  trans-150.899.6179.6176.90000104.4
3M31.9Very low40Very low149 Ų149157.5 Ų157.573%0.73479%0.791SS**  66.2110.7102.2-72.3-146128.300112.6
4Q32.5Very low40.1Very low148 Ų148158.2 Ų158.269%0.69280%0.797SS**  124.9150.290-95.4176.7-7.100104.8
5Q38Very low40.4Very low140 Ų140152.9 Ų152.965%0.65480%0.799SS**  cis-161.2130.126-164.898.6-33.800106.4V7Q5-V7 HydrophobicContact CG-CG2 3.85Å
6L41.4Very low40.4Very low173 Ų173151.6 Ų151.691%0.90680%0.799SS**  trans-94.3111.9168.6-159.790.5000106.9
7V46.4Very low40.4Very low105 Ų105156.9 Ų156.964%0.63681%0.806SS**  trans-108.4105172.3-176.70000108.3Q5 L9Q5-V7 HydrophobicContact CG-CG2 3.85Å; V7-L9 HydrophobicContact CG1-CD1 4Å; V7-L9 HydrophobicContact CG1-CG 4.43Å
8S40.8Very low40Very low98 Ų98153.8 Ų153.869%0.68580%0.8SS**  trans-82118.616458.90000108.7
9L39.6Very low39.8Very low162 Ų162151.5 Ų151.585%0.84880%0.799SS**  trans-99.691.1167.5-91.5129.2000108.1V7V7-L9 HydrophobicContact CG1-CD1 4Å; V7-L9 HydrophobicContact CG1-CG 4.43Å
10S38.2Very low39.4Very low101 Ų101149.9 Ų149.971%0.70680%0.795SS**  trans-85.5132.6168.8-67.50000110.2
11R38.8Very low39.5Very low198 Ų198152.6 Ų152.675%0.74780%0.8SS**  trans76.592.7137.4-155.3171.9-155.5-127.20.7117.7
12W41.8Very low39.3Very low251 Ų251148.6 Ų148.695%0.95178%0.78SS**PPolyproline II helixtrans-89.7117.8151.3-83.163.6000109.2
13M47.3Very low39.3Very low142 Ų142149.9 Ų149.970%0.778%0.782SS**PPolyproline II helixtrans-73.5140.8173.9-80-171.2169.800111.1G15M13-G15 PolarHBondContact O-N 2.71Å
14L41.7Very low39.6Very low168 Ų168147.9 Ų147.988%0.8878%0.78SS**PPolyproline II helixtrans-60.2126163.4-85.574.6000110.3
15G44.4Very low39.8Very low79 Ų79147.1 Ų147.181%0.81479%0.789SS**  trans-120.8112.1166.400000109.9M13M13-G15 PolarHBondContact O-N 2.71Å
16T40.7Very low39.7Very low132 Ų132144.8 Ų144.881%0.8179%0.789SS**  trans-84.113817932.60000112.1
17R41.1Very low39.6Very low241 Ų241144.2 Ų144.291%0.90979%0.786SS**  trans158.6137.3153.8-96.4174.3175.1-133.40.5106.6
18S33Very low39.2Very low101 Ų101147 Ų14771%0.70680%0.795SS**  cis175.7149-337.40000106
19S36Very low39.2Very low111 Ų111147.3 Ų147.378%0.77679%0.793SS**  trans82.490.6152.6-144.30000120.2
20V32.3Very low39.4Very low119 Ų119147.6 Ų147.672%0.72179%0.79SS**  23.1117121.2-170.60000117.7M22V20-M22 HydrophobicContact CG1-CG 4.4Å
21K39.9Very low39.6Very low206 Ų206151.2 Ų151.290%0.89680%0.801SS**  trans-139.4106.3135.3-72.7-168.2-179.3173.80109.8
22M38.1Very low39.6Very low162 Ų162147.2 Ų147.280%0.79880%0.802SS**  trans-64.7128.8163.3-69.9-93.9-81.200108.8V20V20-M22 HydrophobicContact CG1-CG 4.4Å
23L42Very low39.4Very low161 Ų161138.5 Ų138.584%0.84379%0.79SS**  trans-118.4106.1159.8-86.4163.9000106.9C25L23-C25 PolarHBondContact O-N 3.21Å
24P38.4Very low39.1Very low107 Ų107138.2 Ų138.270%0.69579%0.791SS**  trans-84.8103172.432.2-25.3000107.8S26P24-S26 VanDerWaalsContact C-N 3.35Å; P24-S26 PolarHBondContact O-N 2.94Å
25C35.9Very low39.1Very low132 Ų132135.8 Ų135.889%0.89279%0.788SS**  trans-92.679160.8-83.50000107.9L23L23-C25 PolarHBondContact O-N 3.21Å
26S36.2Very low38.8Very low92 Ų92137.3 Ų137.364%0.64379%0.785SS**  trans-76.3137.815748.30000108.5P24P24-S26 VanDerWaalsContact C-N 3.35Å; P24-S26 PolarHBondContact O-N 2.94Å
27L39.6Very low38.9Very low161 Ų161134.3 Ų134.384%0.84378%0.781SS**  trans6995.6175.2-62.3111.6000116.4
28I36.9Very low39.4Very low162 Ų162134.2 Ų134.283%0.83178%0.78SS**  trans-159.8109.6132.5-92.3144.5000108.6
29T41.3Very low40.4Very low106 Ų106136.7 Ų136.765%0.6579%0.785SS**  trans55.1109149.453.80000122.2
30Q43.2Very low41.7Very low167 Ų167134 Ų13478%0.7876%0.762SS**  58.3104.1115.8-64.3176.7-6.300118.5C32Q30-C32 VanDerWaalsContact C-N 3.29Å; Q30-C32 PolarHBondContact O-N 3.19Å
31L43.1Very low43.7Very low178 Ų178134 Ų13493%0.93276%0.757SS**  41.141.2122.3-88.8122.6000118.3G33L31-G33 VanDerWaalsContact C-N 3.25Å; L31-G33 PolarHBondContact O-N 2.81Å
32C38.4Very low45.4Very low113 Ų113126.1 Ų126.176%0.76473%0.726SS**  trans-84.987.5142.8-84.50000106.1Q30 N34Q30-C32 VanDerWaalsContact C-N 3.29Å; Q30-C32 PolarHBondContact O-N 3.19Å; C32-N34 PolarHBondContact O-N 2.76Å
33G37.1Very low47.1Very low68 Ų68125.6 Ų125.670%0.70172%0.715SS**  trans-58.488164.600000107.9L31 S35L31-G33 VanDerWaalsContact C-N 3.25Å; L31-G33 PolarHBondContact O-N 2.81Å; G33-S35 PolarHBondContact O-N 3.32Å
34N41.2Very low48.4Very low137 Ų137125.6 Ų125.673%0.73371%0.705SS**  trans-59.496.9153.5-73.1-14.7000103.6C32 C36C32-N34 PolarHBondContact O-N 2.76Å; N34-C36 PolarHBondContact O-N 3.29Å; N34-C36 PolarHBondContact O-SG 2.9Å
35S42.8Very low49.7Very low117 Ų117123.8 Ų123.882%0.81869%0.689SS**  trans-61.283.715945.20000105.4G33 G37G33-S35 PolarHBondContact O-N 3.32Å; S35-G37 PolarHBondContact O-N 2.86Å
36C38.2Very low50.6Low110 Ų110127.4 Ų127.474%0.74368%0.684SS**  trans-42.2122.7174.3-62.80000107.3N34 R38N34-C36 PolarHBondContact O-N 3.29Å; N34-C36 PolarHBondContact O-SG 2.9Å; C36-R38 PolarHBondContact O-N 3.4Å
37G42.4Very low51.5Low70 Ų70124.7 Ų124.772%0.72266%0.662SS**  trans-37.8107.3-170.900000111.6S35 L39S35-G37 PolarHBondContact O-N 2.86Å; G37-L39 PolarHBondContact O-N 3.49Å
38R52.3Low52.2Low238 Ų238120.7 Ų120.790%0.89864%0.644SS**  trans-55.5109.6171.6-167.1171.6-173.7162.4-0105.5C36 D40C36-R38 PolarHBondContact O-N 3.4Å; R38-D40 PolarHBondContact O-N 3.29Å
39L53.9Low53.2Low154 Ų154122.9 Ų122.981%0.80664%0.641SS**  trans-51.9117.1-176-65.9170.2000107.9G37 L41G37-L39 PolarHBondContact O-N 3.49Å; L39-L41 PolarHBondContact O-N 3.07Å
40D62.6Low53.6Low55 Ų55124.9 Ų124.929%0.29464%0.643SS.*  trans-54.8112.1173.3-73.3-50.8000106.8R38 V42 Y133 R161R38-D40 PolarHBondContact O-N 3.29Å; D40-V42 PolarHBondContact O-N 3.15Å; D40-Y133 HydrophobicContact CB-CD1 3.85Å; D40-Y133 HydrophobicContact CB-CE1 3.98Å; D40-R161 IonicContact OD1-NH1 2.67Å
41L73.8Confident54.4Low119 Ų119120.9 Ų120.962%0.62363%0.625SS**  trans-64.4133.7-178.6-72.9170.4000108.7L39 P132 Y133L39-L41 PolarHBondContact O-N 3.07Å; L41-P132 HydrophobicContact CB-CB 4.13Å; L41-P132 HydrophobicContact CB-CG 4.05Å; L41-P132 CarbonylContact O-C 3.55Å; L41-P132 WeakPolarHBondContact O-CA 3.49Å; L41-P132 VanDerWaalsContact O-CB 3.24Å; L41-P132 WeakPolarHBondContact O-CB 3.47Å; L41-Y133 PolarHBondContact O-N 3.25Å
42V76.9Confident55Low39 Ų39113.8 Ų113.824%0.23659%0.587CS.*EExtended strand (participates in β ladder)trans-95126.4-179.7-164.60000109.3D40 Y44 Y133 L135D40-V42 PolarHBondContact O-N 3.15Å; V42-Y44 HydrophobicContact CB-CD2 4.25Å; V42-Y44 HydrophobicContact CB-CE1 4.45Å; V42-Y44 HydrophobicContact CB-CE2 3.82Å; V42-Y44 HydrophobicContact CG1-CD1 4.17Å; V42-Y44 HydrophobicContact CG1-CD2 4.31Å; V42-Y44 HydrophobicContact CG1-CE1 4.02Å; V42-Y44 HydrophobicContact CG1-CE2 4.16Å; V42-Y44 HydrophobicContact CG1-CG 4.31Å; V42-Y44 HydrophobicContact CG2-CE2 4.46Å; V42-Y133 HydrophobicContact CB-CE1 4.1Å; V42-Y133 HydrophobicContact CG1-CD2 4.41Å; V42-Y133 HydrophobicContact CG1-CE1 4.24Å; V42-Y133 HydrophobicContact CG1-CE2 3.79Å; V42-Y133 HydrophobicContact CG2-CD1 4.46Å; V42-Y133 HydrophobicContact CG2-CE1 3.5Å; V42-Y133 HydrophobicContact CG2-CE2 4.39Å; V42-Y133 VanDerWaalsContact CG2-CZ 3.43Å; V42-Y133 WeakPolarHBondContact CG2-OH 3.47Å; V42-L135 HydrophobicContact CG1-CB 3.58Å; V42-L135 HydrophobicContact CG1-CD2 4.14Å
43R73.5Confident55.6Low152 Ų152112.9 Ų112.957%0.57457%0.574SS**EExtended strand (participates in β ladder)trans-86.8105.6157.5-81.1174.9-172.1-136.95.6108.2I45 P132 Y133 V134 L135R43-I45 PolarHBondContact O-N 3.46Å; R43-P132 HydrophobicContact CB-CB 4.49Å; R43-P132 HydrophobicContact CG-CB 3.72Å; R43-Y133 PolarHBondContact N-O 2.91Å; R43-V134 HydrophobicContact CB-CG2 4.48Å; R43-L135 PolarHBondContact O-N 3.5Å; R43-L135 VanDerWaalsContact O-N 3.13Å
44Y68.1Low56.5Low160 Ų160114.7 Ų114.763%0.62757%0.568SS**EExtended strand (participates in β ladder)trans-74.5117.5173.6-66.3-82.5000109.6V42 L135V42-Y44 HydrophobicContact CB-CD2 4.25Å; V42-Y44 HydrophobicContact CB-CE1 4.45Å; V42-Y44 HydrophobicContact CB-CE2 3.82Å; V42-Y44 HydrophobicContact CG1-CD1 4.17Å; V42-Y44 HydrophobicContact CG1-CD2 4.31Å; V42-Y44 HydrophobicContact CG1-CE1 4.02Å; V42-Y44 HydrophobicContact CG1-CE2 4.16Å; V42-Y44 HydrophobicContact CG1-CG 4.31Å; V42-Y44 HydrophobicContact CG2-CE2 4.46Å; Y44-L135 HydrophobicContact CD1-CD2 4.15Å; Y44-L135 HydrophobicContact CE1-CD2 3.98Å
45I66Low57.3Low69 Ų69112 Ų11235%0.35455%0.553SS.*EExtended strand (participates in β ladder)trans-105.9104.9162.5-56.8-178.7000105.6R43 M47 V134 L135R43-I45 PolarHBondContact O-N 3.46Å; I45-M47 HydrophobicContact CG2-SD 4.42Å; I45-V134 HydrophobicContact CD1-CG1 3.51Å; I45-V134 HydrophobicContact CG1-CG1 4.09Å; I45-L135 PolarHBondContact N-O 2.77Å
46R56.2Low57.9Low208 Ų208115.3 Ų115.379%0.78555%0.547SS*.EExtended strand (participates in β ladder)trans-90.5112.4171.3-75.3-172.6179.9-177.42.2107.4
47M54.1Low58.3Low36 Ų36114.6 Ų114.618%0.17754%0.54CS..  trans-79.1133.1175-65.7-81.7-74.800110.4I45 E51 I55 W136I45-M47 HydrophobicContact CG2-SD 4.42Å; M47-E51 WeakPolarHBondContact CA-OE2 3.45Å; M47-E51 HydrophobicContact CE-CB 3.32Å; M47-E51 HydrophobicContact CE-CG 4.39Å; M47-E51 HydrophobicContact SD-CB 3.89Å; M47-E51 HydrophobicContact SD-CG 4.42Å; M47-I55 HydrophobicContact CE-CD1 3.66Å; M47-W136 HydrophobicContact CE-CE3 4.42Å; M47-W136 HydrophobicContact CE-CH2 3.01Å; M47-W136 HydrophobicContact CE-CZ2 3.94Å; M47-W136 HydrophobicContact CE-CZ3 3.3Å; M47-W136 HydrophobicContact CG-CD2 4.11Å; M47-W136 HydrophobicContact CG-CE3 3.64Å; M47-W136 HydrophobicContact CG-CH2 3.66Å; M47-W136 HydrophobicContact CG-CZ2 4.04Å; M47-W136 HydrophobicContact CG-CZ3 3.42Å; M47-W136 VanDerWaalsContact CG-CZ3 3.42Å; M47-W136 HydrophobicContact SD-CE3 4.29Å; M47-W136 HydrophobicContact SD-CH2 3.16Å; M47-W136 WeakPolarHBondContact SD-CH2 3.43Å; M47-W136 HydrophobicContact SD-CZ2 3.47Å; M47-W136 WeakPolarHBondContact SD-CZ2 3.41Å; M47-W136 HydrophobicContact SD-CZ3 3.6Å; M47-W136 VanDerWaalsContact SD-CZ3 3.6Å
48T55.5Low58.8Low76 Ų76116.6 Ų116.647%0.46653%0.534SS..  trans-81.8168170.868.90000110.6E50 E51 I52T48-E50 PolarHBondContact O-N 3.35Å; T48-E50 VanDerWaalsContact O-N 3.14Å; T48-E51 PolarHBondContact N-OE2 3.47Å; T48-E51 PolarHBondContact O-N 3.35Å; T48-I52 WeakPolarHBondContact O-CG1 3.37Å; T48-I52 PolarHBondContact O-N 3.45Å
49R56.9Low58.8Low208 Ų208110 Ų11079%0.78552%0.522SS*.Hα-helixtrans-57.2-26.6177.7-178.7-178.9173.8-165.2-1.6112.9I52R49-I52 WeakPolarHBondContact O-CB 3.5Å
50E50.3Low58.8Low148 Ų148108.3 Ų108.369%0.69252%0.52SS*.Hα-helixtrans-77.9-44.1-174.7-66.1170.7-177.500111.4T48 I52 L53 N54T48-E50 PolarHBondContact O-N 3.35Å; T48-E50 VanDerWaalsContact O-N 3.14Å; E50-I52 PolarHBondContact O-N 2.89Å; E50-I52 VanDerWaalsContact O-N 3.16Å; E50-L53 PolarHBondContact O-N 3.08Å; E50-N54 PolarHBondContact O-N 3.01Å
51E58.4Low58.6Low83 Ų83113.6 Ų113.639%0.38855%0.548SS..Hα-helixtrans-63-24.7174.7-59.7168140.500112M47 T48 N54 I55M47-E51 WeakPolarHBondContact CA-OE2 3.45Å; M47-E51 HydrophobicContact CE-CB 3.32Å; M47-E51 HydrophobicContact CE-CG 4.39Å; M47-E51 HydrophobicContact SD-CB 3.89Å; M47-E51 HydrophobicContact SD-CG 4.42Å; T48-E51 PolarHBondContact N-OE2 3.47Å; T48-E51 PolarHBondContact O-N 3.35Å; E51-N54 PolarHBondContact O-N 2.93Å; E51-I55 PolarHBondContact O-N 3.15Å
52I55.8Low57.3Low29 Ų29115.8 Ų115.815%0.14956%0.559CS.*Hα-helixtrans-67-36.4174.2-67172.9000112.7T48 R49 E50 N54 R138T48-I52 WeakPolarHBondContact O-CG1 3.37Å; T48-I52 PolarHBondContact O-N 3.45Å; R49-I52 WeakPolarHBondContact O-CB 3.5Å; E50-I52 PolarHBondContact O-N 2.89Å; E50-I52 VanDerWaalsContact O-N 3.16Å; I52-N54 VanDerWaalsContact C-N 3.33Å; I52-R138 HydrophobicContact CD1-CG 4.37Å
53L51.2Low55.9Low94 Ų94119.3 Ų119.349%0.49259%0.586SS.*Hα-helixtrans-71.7-34.4179-66.9176.3000110.5E50 R56 T57E50-L53 PolarHBondContact O-N 3.08Å; L53-R56 PolarHBondContact O-N 2.92Å; L53-T57 PolarHBondContact O-N 3.07Å; L53-T57 PolarHBondContact O-OG1 3.16Å
54N57.1Low54.7Low107 Ų107117 Ų11757%0.57259%0.593SS**Hα-helixtrans-69.8-35.3-176.2-67.4-0.4000113.7E50 E51 I52 R56 T57 D58E50-N54 PolarHBondContact O-N 3.01Å; E51-N54 PolarHBondContact O-N 2.93Å; I52-N54 VanDerWaalsContact C-N 3.33Å; N54-R56 PolarHBondContact O-N 2.89Å; N54-T57 WeakPolarHBondContact CA-OG1 3.5Å; N54-T57 CarbonylContact O-C 3.47Å; N54-T57 PolarHBondContact O-N 2.6Å; N54-T57 PolarHBondContact O-OG1 3.23Å; N54-D58 PolarHBondContact O-N 3.13Å
55I58.1Low53.6Low79 Ų79112.3 Ų112.341%0.40559%0.593SS.*Hα-helixtrans-64.4-29.6175.3-62.3167.5000111.8M47 E51 W136M47-I55 HydrophobicContact CE-CD1 3.66Å; E51-I55 PolarHBondContact O-N 3.15Å; I55-W136 HydrophobicContact CD1-CH2 3.89Å; I55-W136 HydrophobicContact CD1-CZ3 3.86Å
56R55.5Low52.6Low187 Ų187113.8 Ų113.871%0.70661%0.609SS**Hα-helixtrans-74.6-21175.6-69.7-177.7171.8178.3-2.8112.1L53 N54L53-R56 PolarHBondContact O-N 2.92Å; N54-R56 PolarHBondContact O-N 2.89Å
57T45.7Very low52.2Low96 Ų96112.7 Ų112.759%0.58961%0.613SS**THydrogen-bonded Turntrans-105.827.9-179.456.30000111.8L53 N54 P59L53-T57 PolarHBondContact O-N 3.07Å; L53-T57 PolarHBondContact O-OG1 3.16Å; N54-T57 WeakPolarHBondContact CA-OG1 3.5Å; N54-T57 CarbonylContact O-C 3.47Å; N54-T57 PolarHBondContact O-N 2.6Å; N54-T57 PolarHBondContact O-OG1 3.23Å; T57-P59 WeakPolarHBondContact O-CD 3.17Å; T57-P59 VanDerWaalsContact O-N 3.12Å
58D52.2Low51.9Low111 Ų111119.7 Ų119.759%0.59464%0.643SS**SBendtrans-61.6111.6154-51.7-14.8000104.4N54N54-D58 PolarHBondContact O-N 3.13Å
59P53.6Low51.6Low101 Ų101122.8 Ų122.866%0.65666%0.656SS**  trans-55.7138178.623.1-31.6000107.5T57 L61T57-P59 WeakPolarHBondContact O-CD 3.17Å; T57-P59 VanDerWaalsContact O-N 3.12Å; P59-L61 PolarHBondContact O-N 3.34Å
60P53.9Low51.1Low118 Ų118119.6 Ų119.677%0.76665%0.654SS**  trans-51122.1169.921.2-29.8000105.9L62P60-L62 PolarHBondContact O-N 3.26Å
61L57Low50.7Low166 Ų166117.3 Ų117.387%0.86965%0.654SS**  trans-49112.6174.1-65.9-179.5000105.3P59 S63P59-L61 PolarHBondContact O-N 3.34Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.46Å
62L46.5Very low50.1Low165 Ų165121.4 Ų121.486%0.86468%0.675SS**  trans-52.7107.7174.4-90.9154.5000105.1P60 S64P60-L62 PolarHBondContact O-N 3.26Å; L62-S64 PolarHBondContact O-N 3.38Å
63S48.2Very low49.7Very low113 Ų113122.8 Ų122.879%0.7970%0.696SS**  trans-69.171.5171172.20000107L61 G65L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.46Å; S63-G65 PolarHBondContact O-N 3.3Å
64S48.5Very low49.5Very low104 Ų104126.6 Ų126.673%0.72771%0.711SS**  trans-70.284.2146.658.20000105.1L62 S66L62-S64 PolarHBondContact O-N 3.38Å; S64-S66 PolarHBondContact O-N 3.27Å
65G45.4Very low49.2Very low60 Ų60127.3 Ų127.362%0.61972%0.72SS**  trans-59.689.5169.800000108.5S63S63-G65 PolarHBondContact O-N 3.3Å
66S45.2Very low48.6Very low100 Ų100129.3 Ų129.370%0.69973%0.731SS**  trans-83.4104.1142.854.60000103.9S64 F68S64-S66 PolarHBondContact O-N 3.27Å; S66-F68 PolarHBondContact O-N 3.02Å
67E46.2Very low48.5Very low185 Ų185125.4 Ų125.486%0.86473%0.733SS**  trans-5799168.1-58.5-15414700106.5L69E67-L69 PolarHBondContact O-N 3.48Å
68F49Very low48.6Very low183 Ų183126 Ų12680%0.80374%0.741SS**  trans-75.179.4172.5-153.6-92.2000105.5S66 L70S66-F68 PolarHBondContact O-N 3.02Å; F68-L70 PolarHBondContact O-N 3.48Å
69L48Very low48.4Very low142 Ų142130.2 Ų130.274%0.74375%0.754SS**  trans-51.6113.3173-165.4152.6000105.9E67 S71E67-L69 PolarHBondContact O-N 3.48Å; L69-S71 PolarHBondContact O-N 2.85Å
70L46.4Very low48.4Very low141 Ų141129.4 Ų129.474%0.73876%0.755SS**  trans-62.783.6170-74.5167.5000106.7F68 M72F68-L70 PolarHBondContact O-N 3.48Å; L70-M72 PolarHBondContact O-N 3.49Å
71S43.2Very low48.4Very low99 Ų99130.9 Ų130.969%0.69276%0.756SS**  trans-6192.4153.6168.30000104.3L69 G73L69-S71 PolarHBondContact O-N 2.85Å; S71-G73 PolarHBondContact O-N 3.44Å
72M45.9Very low48.4Very low169 Ų169130.1 Ų130.183%0.83375%0.753SS**  trans-50.198.3156.9-76.4-72.3179.800105.2L70 E74L70-M72 PolarHBondContact O-N 3.49Å; M72-E74 PolarHBondContact O-N 3.42Å
73G46.5Very low49Very low58 Ų58130.4 Ų130.460%0.59875%0.747SS**  trans-59.5115.5175.500000106.3S71 V75S71-G73 PolarHBondContact O-N 3.44Å; G73-V75 PolarHBondContact O-N 2.85Å
74E46.9Very low49.9Very low174 Ų174132.3 Ų132.381%0.81375%0.753SS**  trans-52.4115.6166.4-163155.4141.700106.9M72 D76M72-E74 PolarHBondContact O-N 3.42Å; E74-D76 VanDerWaalsContact C-N 3.26Å; E74-D76 PolarHBondContact O-N 2.85Å
75V51.3Low51.1Low123 Ų123134.4 Ų134.475%0.74575%0.752SS**  trans-7094.6173.9177.50000105.6G73 S77G73-V75 PolarHBondContact O-N 2.85Å; V75-S77 PolarHBondContact O-N 3.32Å; V75-S77 PolarHBondContact O-OG 3.09Å
76D46.5Very low52.9Low121 Ų121136.8 Ų136.865%0.64776%0.759SS**  trans-57.186.6167.6-81.8-34.5000108.4E74 S78E74-D76 VanDerWaalsContact C-N 3.26Å; E74-D76 PolarHBondContact O-N 2.85Å; D76-S78 PolarHBondContact O-N 2.94Å
77S52.6Low55Low105 Ų105135.9 Ų135.973%0.73475%0.746SS**THydrogen-bonded Turntrans-67.95.4179.5-63.60000112.3V75V75-S77 PolarHBondContact O-N 3.32Å; V75-S77 PolarHBondContact O-OG 3.09Å
78S47.3Very low57.2Low108 Ų108130.1 Ų130.176%0.75572%0.724SS**THydrogen-bonded Turntrans-98.20.2-17759.20000114.6D76D76-S78 PolarHBondContact O-N 2.94Å
79K49.1Very low59.4Low200 Ų200125.8 Ų125.887%0.8771%0.708SS**SBendtrans-93.110.7175.8-122.9177.2-169.9172.70115.6
80A53.6Low61.7Low83 Ų83119.6 Ų119.669%0.68668%0.675SS**  trans-93.24.2-170.900000116.1
81L53.4Low64.1Low150 Ų150119.5 Ų119.579%0.78567%0.669SS**SBendtrans-110.2106.9179.8-63.6-172.1000111.8
82N56.3Low66.6Low149 Ų149115 Ų11580%0.79764%0.637SS**SBendtrans81.363.6159.5-46.6-36.5000117.4
83K58.5Low69.1Low172 Ų172107 Ų10775%0.74860%0.598SS**  trans-121.3120.1131.9-75.4-176.8-179.8178.60106.8E85K83-E85 HydrophobicContact CB-CG 3.76Å; K83-E85 PolarHBondContact O-N 3Å
84V67.6Low71.5Confident152 Ų152105 Ų10592%0.92157%0.574SS**  trans-68.978.9160.5-178.20000104.7S86V84-S86 PolarHBondContact O-N 2.83Å
85E75.1Confident73.9Confident148 Ų14896.7 Ų96.769%0.69254%0.535SS*.PPolyproline II helixtrans-65.5124172.8-67.9-170161.500106.3K83 D87K83-E85 HydrophobicContact CB-CG 3.76Å; K83-E85 PolarHBondContact O-N 3Å; E85-D87 PolarHBondContact O-N 3.05Å
86S81.3Confident76Confident110 Ų11091.8 Ų91.877%0.76950%0.504SS*.PPolyproline II helixtrans-60.8120.6174.351.20000108.5V84 T88V84-S86 PolarHBondContact O-N 2.83Å; S86-T88 PolarHBondContact O-N 3.47Å
87D90Very high78.5Confident81 Ų8186 Ų8643%0.43347%0.473SS..PPolyproline II helixtrans-57.6125.3179.7-87.5-11.4000110.6E85 L89 S171E85-D87 PolarHBondContact O-N 3.05Å; D87-L89 PolarHBondContact O-N 2.82Å; D87-S171 PolarHBondContact OD2-OG 3.15Å
88T92.2Very high80.6Confident64 Ų6484.9 Ų84.939%0.39346%0.455SS..PPolyproline II helixtrans-65.1134.9169.3650000108.7S86 S170S86-T88 PolarHBondContact O-N 3.47Å; T88-S170 PolarHBondContact O-N 3.14Å; T88-S170 WeakPolarHBondContact OG1-CB 3.39Å
89L95.7Very high82.9Confident92 Ų9279.9 Ų79.948%0.48242%0.421SS..EExtended strand (participates in β ladder)trans-97.3124.4-178.8-62.4178.8000109.3D87 T169 I197D87-L89 PolarHBondContact O-N 2.82Å; L89-T169 HydrophobicContact CD2-CG2 4.09Å; L89-I197 HydrophobicContact CB-CB 4.35Å; L89-I197 HydrophobicContact CB-CD1 4.06Å; L89-I197 HydrophobicContact CB-CG1 4.47Å; L89-I197 PolarHBondContact O-N 2.96Å
90Y96.9Very high85.1Confident13 Ų1376.2 Ų76.25%0.05141%0.407CS..EExtended strand (participates in β ladder)trans-94.1124.8173-61.8-68.7000110.3C92 I93 L168 S170 A173 K194 Q195 E196Y90-C92 VanDerWaalsContact C-N 3.35Å; Y90-I93 HydrophobicContact CD2-CD1 3.76Å; Y90-I93 HydrophobicContact CD2-CG1 4.31Å; Y90-I93 HydrophobicContact CE2-CD1 4.28Å; Y90-I93 HydrophobicContact CG-CD1 4.03Å; Y90-I93 HydrophobicContact CG-CG1 4.07Å; Y90-L168 PolarHBondContact N-O 3.01Å; Y90-L168 PolarHBondContact O-N 2.82Å; Y90-S170 PolarHBondContact OH-OG 3.09Å; Y90-A173 HydrophobicContact CD2-CB 4Å; Y90-A173 HydrophobicContact CE2-CB 3.99Å; Y90-K194 HydrophobicContact CD1-CB 3.99Å; Y90-K194 HydrophobicContact CE1-CB 3.7Å; Y90-K194 HydrophobicContact CE1-CD 3.92Å; Y90-K194 HydrophobicContact CE1-CG 4.2Å; Y90-Q195 CarbonylContact C-O 3.51Å; Y90-Q195 VanDerWaalsContact CA-O 3.3Å; Y90-Q195 WeakPolarHBondContact CA-O 3.33Å; Y90-E196 HydrophobicContact CD1-CB 4.37Å; Y90-E196 HydrophobicContact CD1-CG 3.43Å; Y90-E196 VanDerWaalsContact CD1-CG 3.43Å; Y90-E196 HydrophobicContact CE1-CG 3.24Å
91K96.2Very high87.1Confident139 Ų13976.2 Ų76.260%0.60440%0.395SS*.EExtended strand (participates in β ladder)trans-60.8-49.6169.8-177.7177.5179.7177.70109.8R167 Q195 I197K91-R167 PolarHBondContact O-N 3.2Å; K91-R167 VanDerWaalsContact O-N 3.07Å; K91-Q195 PolarHBondContact N-O 2.81Å; K91-I197 HydrophobicContact CB-CD1 4.4Å; K91-I197 HydrophobicContact CB-CG1 3.84Å
92C95.9Very high89Confident3 Ų376.3 Ų76.32%0.0239%0.385CS..EExtended strand (participates in β ladder)trans-155.6154.4171.5690000111.9Y90 V165 V166 Q195Y90-C92 VanDerWaalsContact C-N 3.35Å; C92-V165 CarbonylContact C-O 3.45Å; C92-V165 WeakPolarHBondContact CA-O 3.17Å; C92-V165 VanDerWaalsContact CB-O 3.27Å; C92-V165 WeakPolarHBondContact CB-O 3.27Å; C92-V166 HydrophobicContact CB-CG1 4.11Å; C92-Q195 WeakPolarHBondContact O-CB 3.22Å; C92-Q195 PolarHBondContact O-N 2.78Å; C92-Q195 PolarHBondContact SG-OE1 2.99Å
93I97.3Very high90.9Very high2 Ų271.8 Ų71.81%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-118.8126.2170.2-58.1-178.4000107.2Y90 V165 L168 A173 L177 V192 I193Y90-I93 HydrophobicContact CD2-CD1 3.76Å; Y90-I93 HydrophobicContact CD2-CG1 4.31Å; Y90-I93 HydrophobicContact CE2-CD1 4.28Å; Y90-I93 HydrophobicContact CG-CD1 4.03Å; Y90-I93 HydrophobicContact CG-CG1 4.07Å; I93-V165 PolarHBondContact N-O 3.41Å; I93-V165 PolarHBondContact O-N 3.25Å; I93-L168 HydrophobicContact CD1-CB 4.43Å; I93-L168 HydrophobicContact CD1-CD1 3.86Å; I93-L168 HydrophobicContact CG1-CD1 4.47Å; I93-A173 HydrophobicContact CD1-CB 3.32Å; I93-L177 HydrophobicContact CG2-CD2 4.49Å; I93-V192 HydrophobicContact CG2-CG1 3.68Å; I93-I193 WeakPolarHBondContact CA-O 3.33Å
94T96.9Very high92.8Very high15 Ų1566 Ų669%0.09235%0.347CS..EExtended strand (participates in β ladder)trans-109.4118.7177.4-54.20000109.5E96 I163 R164 I193T94-E96 HydrophobicContact CG2-CG 4.15Å; T94-I163 CarbonylContact C-O 3.53Å; T94-I163 WeakPolarHBondContact CA-O 3.34Å; T94-R164 HydrophobicContact CG2-CG 3.82Å; T94-I193 PolarHBondContact N-O 3.39Å; T94-I193 PolarHBondContact O-N 2.95Å
95V97.3Very high94.1Very high1 Ų158.7 Ų58.71%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-97.8108.6173.3-175.30000107.9M97 R162 I163 L177V95-M97 HydrophobicContact CG1-CG 4.07Å; V95-M97 HydrophobicContact CG1-SD 4.37Å; V95-R162 WeakPolarHBondContact O-CA 3.49Å; V95-I163 PolarHBondContact N-O 3Å; V95-I163 PolarHBondContact O-N 3.45Å; V95-L177 HydrophobicContact CG2-CD2 4.08Å
96E96.8Very high95.1Very high19 Ų1953.9 Ų53.99%0.08929%0.286CS..EExtended strand (participates in β ladder)trans-97123.8173.4-52.2-164.7124.500110T94 R161 R162 A190 R191 I193T94-E96 HydrophobicContact CG2-CG 4.15Å; E96-R161 CarbonylContact C-O 3.58Å; E96-R161 WeakPolarHBondContact CA-O 3.15Å; E96-R162 HydrophobicContact CB-CG 4.45Å; E96-R162 HydrophobicContact CG-CG 4.11Å; E96-R162 IonicContact OE1-CZ 3.69Å; E96-R162 IonicContact OE1-NE 3.49Å; E96-R162 PolarHBondContact OE1-NE 2.92Å; E96-R162 IonicContact OE1-NH2 3.52Å; E96-R162 PolarHBondContact OE1-NH2 3.39Å; E96-A190 CarbonylContact O-C 3.56Å; E96-A190 WeakPolarHBondContact O-CA 3.34Å; E96-R191 HydrophobicContact CB-CB 4.35Å; E96-R191 PolarHBondContact N-O 2.82Å; E96-R191 PolarHBondContact O-N 3.13Å; E96-R191 IonicContact OE2-NH1 2.95Å; E96-I193 HydrophobicContact CG-CD1 4.22Å
97M97.3Very high95.9Very high1 Ų152.8 Ų52.81%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-115.6138.4-180-55.5170.4-58.900109.1V95 L105 Y108 R160 R161 I163 V188 A189V95-M97 HydrophobicContact CG1-CG 4.07Å; V95-M97 HydrophobicContact CG1-SD 4.37Å; M97-L105 HydrophobicContact CB-CD2 4.08Å; M97-Y108 HydrophobicContact CE-CD1 4.25Å; M97-Y108 HydrophobicContact SD-CD1 3.31Å; M97-Y108 WeakPolarHBondContact SD-CD1 3.38Å; M97-Y108 HydrophobicContact SD-CE1 3.36Å; M97-Y108 WeakPolarHBondContact SD-CE1 3.3Å; M97-R160 CarbonylContact O-C 3.44Å; M97-R160 VanDerWaalsContact O-CA 3.24Å; M97-R160 WeakPolarHBondContact O-CA 3.23Å; M97-R161 HydrophobicContact CB-CB 4.38Å; M97-R161 HydrophobicContact CE-CB 3.46Å; M97-R161 VanDerWaalsContact CE-CB 3.46Å; M97-R161 HydrophobicContact CE-CG 4.35Å; M97-R161 PolarHBondContact N-O 2.67Å; M97-R161 PolarHBondContact O-N 2.96Å; M97-I163 HydrophobicContact CE-CD1 3.73Å; M97-I163 HydrophobicContact CE-CG1 4.18Å; M97-V188 HydrophobicContact CB-CG1 4.24Å; M97-A189 CarbonylContact C-O 3.44Å; M97-A189 WeakPolarHBondContact CA-O 3.16Å
98K96.7Very high96.3Very high80 Ų8049.3 Ų49.335%0.34826%0.259SS..EExtended strand (participates in β ladder)trans-128.4134.1179.7-60.8-179.2-178.5166.40109.3T158 Y159 R160 V188 A189K98-T158 HydrophobicContact CB-CG2 4.25Å; K98-Y159 WeakPolarHBondContact CA-O 3.4Å; K98-R160 HydrophobicContact CG-CG 4.23Å; K98-V188 CarbonylContact O-C 3.57Å; K98-V188 WeakPolarHBondContact O-CA 3.36Å; K98-V188 WeakPolarHBondContact O-CG1 3.18Å; K98-A189 PolarHBondContact N-O 2.93Å; K98-A189 PolarHBondContact O-N 2.91Å
99G96.3Very high96.4Very high4 Ų447 Ų474%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-159.2166.7179.300000112.7Y159G99-Y159 PolarHBondContact N-O 3.38Å; G99-Y159 PolarHBondContact O-N 3Å
100H95.3Very high96.5Very high122 Ų12247.2 Ų47.257%0.56525%0.248SC*.SBendtrans-89.6-29178.9-63.9-59000113.1R157 Y159H100-R157 PolarHBondContact ND1-O 3.46Å; H100-Y159 WeakPolarHBondContact O-CD2 3.08Å; H100-Y159 WeakPolarHBondContact O-CE2 3.42Å
101D95.4Very high96.5Very high83 Ų8349.2 Ų49.244%0.44426%0.257SS..  trans-99.7124.1177.9-168.2-6.4000111.4A103 V104 L105D101-A103 PolarHBondContact OD1-N 3.27Å; D101-V104 HydrophobicContact CB-CB 4.21Å; D101-V104 HydrophobicContact CB-CG2 3.93Å; D101-L105 WeakPolarHBondContact O-CG 3.42Å; D101-L105 PolarHBondContact O-N 2.81Å
102R94Very high96.6Very high152 Ų15242.6 Ų42.657%0.57423%0.229SC*.Hα-helixtrans-69.4-32.7176.467.3179.7179.4-175.9-1.1112.7S106 Y159R102-S106 WeakPolarHBondContact O-CB 3.36Å; R102-S106 PolarHBondContact O-N 2.79Å; R102-Y159 HydrophobicContact CB-CD1 4.37Å; R102-Y159 HydrophobicContact CB-CD2 4.27Å; R102-Y159 HydrophobicContact CB-CE1 4.41Å; R102-Y159 HydrophobicContact CB-CE2 4.3Å; R102-Y159 HydrophobicContact CB-CG 4.3Å
103A96.1Very high96.6Very high54 Ų5445.6 Ų45.645%0.44624%0.244SC..Hα-helixtrans-69.7-48-175.300000109.5D101 L105 S106 S107D101-A103 PolarHBondContact OD1-N 3.27Å; A103-L105 PolarHBondContact O-N 3.06Å; A103-S106 WeakPolarHBondContact O-CB 3.43Å; A103-S106 PolarHBondContact O-N 3Å; A103-S106 VanDerWaalsContact O-N 3.09Å; A103-S107 PolarHBondContact O-N 3.21Å; A103-S107 PolarHBondContact O-OG 2.8Å
104V97.3Very high96.6Very high50 Ų5047.6 Ų47.630%0.30326%0.261SS..Hα-helixtrans-54.7-50173.61770000111.2D101 S106 S107 Y108 P185 V188D101-V104 HydrophobicContact CB-CB 4.21Å; D101-V104 HydrophobicContact CB-CG2 3.93Å; V104-S106 VanDerWaalsContact C-N 3.29Å; V104-S106 PolarHBondContact O-N 3.43Å; V104-S107 PolarHBondContact O-N 2.9Å; V104-Y108 WeakPolarHBondContact O-CB 3.31Å; V104-Y108 PolarHBondContact O-N 3.18Å; V104-P185 HydrophobicContact CG1-CB 3.61Å; V104-P185 HydrophobicContact CG1-CG 3.95Å; V104-V188 HydrophobicContact CG1-CG2 4Å
105L96.7Very high96.6Very high0 Ų047.3 Ų47.30%026%0.26CS..Hα-helixtrans-62.6-34.2178.2-74.6173.5000113.2M97 D101 A103 E109 Y159 R161 V188M97-L105 HydrophobicContact CB-CD2 4.08Å; D101-L105 WeakPolarHBondContact O-CG 3.42Å; D101-L105 PolarHBondContact O-N 2.81Å; A103-L105 PolarHBondContact O-N 3.06Å; L105-E109 VanDerWaalsContact O-CB 3.29Å; L105-E109 WeakPolarHBondContact O-CB 3.49Å; L105-E109 PolarHBondContact O-N 2.79Å; L105-Y159 VanDerWaalsContact CD1-CB 3.4Å; L105-R161 HydrophobicContact CB-CG 3.92Å; L105-R161 HydrophobicContact CD1-CG 4.46Å; L105-R161 HydrophobicContact CD2-CG 4.35Å; L105-R161 HydrophobicContact CG-CG 4.49Å; L105-V188 HydrophobicContact CD2-CG1 3.9Å; L105-V188 HydrophobicContact CD2-CG2 4.27Å
106S95.5Very high96.6Very high47 Ų4747.3 Ų47.333%0.32926%0.26SS..Hα-helixtrans-70.6-41.9177-165.90000111.9R102 A103 V104 Y108 V110R102-S106 WeakPolarHBondContact O-CB 3.36Å; R102-S106 PolarHBondContact O-N 2.79Å; A103-S106 WeakPolarHBondContact O-CB 3.43Å; A103-S106 PolarHBondContact O-N 3Å; A103-S106 VanDerWaalsContact O-N 3.09Å; V104-S106 VanDerWaalsContact C-N 3.29Å; V104-S106 PolarHBondContact O-N 3.43Å; S106-Y108 VanDerWaalsContact C-N 3.31Å; S106-V110 PolarHBondContact O-N 2.79Å
107S97.7Very high96.6Very high86 Ų8648.9 Ų48.960%0.60128%0.282SS*.Hα-helixtrans-63.9-41.2174.3-63.20000111A103 V104 V110 F111A103-S107 PolarHBondContact O-N 3.21Å; A103-S107 PolarHBondContact O-OG 2.8Å; V104-S107 PolarHBondContact O-N 2.9Å; S107-V110 PolarHBondContact O-N 3.36Å; S107-F111 PolarHBondContact O-N 3.35Å; S107-F111 VanDerWaalsContact O-N 3.07Å
108Y97.7Very high96.6Very high9 Ų956.6 Ų56.64%0.03532%0.318CS..Hα-helixtrans-70.3-35-180-163.5-117.6000112.9M97 V104 S106 V110 F111 V112 I180 N183 L184 P185M97-Y108 HydrophobicContact CE-CD1 4.25Å; M97-Y108 HydrophobicContact SD-CD1 3.31Å; M97-Y108 WeakPolarHBondContact SD-CD1 3.38Å; M97-Y108 HydrophobicContact SD-CE1 3.36Å; M97-Y108 WeakPolarHBondContact SD-CE1 3.3Å; V104-Y108 WeakPolarHBondContact O-CB 3.31Å; V104-Y108 PolarHBondContact O-N 3.18Å; S106-Y108 VanDerWaalsContact C-N 3.31Å; Y108-V110 VanDerWaalsContact C-N 3.34Å; Y108-V110 PolarHBondContact O-N 2.82Å; Y108-F111 HydrophobicContact CD2-CB 4.41Å; Y108-F111 AromaticContact CD2-CD1 3.7Å; Y108-F111 HydrophobicContact CD2-CD1 3.7Å; Y108-F111 HydrophobicContact CD2-CE1 4.4Å; Y108-F111 HydrophobicContact CD2-CG 4.35Å; Y108-F111 AromaticContact CE2-CD1 3.38Å; Y108-F111 HydrophobicContact CE2-CD1 3.38Å; Y108-F111 AromaticContact CE2-CE1 3.66Å; Y108-F111 HydrophobicContact CE2-CE1 3.66Å; Y108-F111 HydrophobicContact CE2-CG 4.39Å; Y108-F111 WeakPolarHBondContact O-CB 3.1Å; Y108-F111 PolarHBondContact O-N 2.81Å; Y108-V112 HydrophobicContact CD1-CG2 4.2Å; Y108-V112 HydrophobicContact CE1-CG2 3.89Å; Y108-V112 HydrophobicContact CE2-CG2 4.48Å; Y108-V112 WeakPolarHBondContact O-CG2 3.4Å; Y108-V112 PolarHBondContact O-N 3.42Å; Y108-I180 WeakPolarHBondContact OH-CG2 3.34Å; Y108-I180 PolarHBondContact OH-O 2.91Å; Y108-N183 WeakPolarHBondContact CE2-O 3.5Å; Y108-L184 HydrophobicContact CE1-CD1 3.76Å; Y108-P185 HydrophobicContact CD1-CG 4.47Å; Y108-P185 HydrophobicContact CD2-CG 3.62Å; Y108-P185 HydrophobicContact CE2-CG 4.13Å; Y108-P185 HydrophobicContact CG-CG 3.84Å
109E96Very high96.5Very high16 Ų1657.3 Ų57.38%0.07533%0.325CS..Hα-helixtrans-55.5-47.6170.3177.7-175.7150.700111.5L105 F111 V112 L113 L129 K130 R161L105-E109 VanDerWaalsContact O-CB 3.29Å; L105-E109 WeakPolarHBondContact O-CB 3.49Å; L105-E109 PolarHBondContact O-N 2.79Å; E109-F111 VanDerWaalsContact C-N 3.34Å; E109-F111 PolarHBondContact O-N 2.89Å; E109-V112 PolarHBondContact O-N 2.95Å; E109-L113 HydrophobicContact CG-CD1 4.27Å; E109-L113 VanDerWaalsContact O-CG 3.27Å; E109-L113 WeakPolarHBondContact O-CG 3.21Å; E109-L113 PolarHBondContact O-N 3.22Å; E109-L113 VanDerWaalsContact O-N 3.08Å; E109-L129 HydrophobicContact CG-CD1 4.25Å; E109-L129 HydrophobicContact CG-CD2 4.21Å; E109-L129 HydrophobicContact CG-CG 4.4Å; E109-L129 WeakPolarHBondContact OE1-CD2 3.15Å; E109-K130 WeakPolarHBondContact OE1-CE 3.47Å; E109-K130 IonicContact OE1-NZ 3.2Å; E109-K130 WeakPolarHBondContact OE2-CE 3.22Å; E109-K130 IonicContact OE2-NZ 3.75Å; E109-R161 VanDerWaalsContact OE2-CD 3.24Å; E109-R161 WeakPolarHBondContact OE2-CD 3.05Å; E109-R161 IonicContact OE2-CZ 3.13Å; E109-R161 IonicContact OE2-NE 2.78Å; E109-R161 PolarHBondContact OE2-NE 3.06Å
110V96.5Very high96.5Very high95 Ų9560.5 Ų60.558%0.57636%0.357SS*.Hα-helixtrans-62.9-41.7176.7175.70000111.4S106 S107 Y108 L113 A114S106-V110 PolarHBondContact O-N 2.79Å; S107-V110 PolarHBondContact O-N 3.36Å; Y108-V110 VanDerWaalsContact C-N 3.34Å; Y108-V110 PolarHBondContact O-N 2.82Å; V110-L113 PolarHBondContact O-N 3.07Å; V110-A114 WeakPolarHBondContact O-CB 3.4Å; V110-A114 PolarHBondContact O-N 2.83Å
111F98Very high96.6Very high55 Ų5555.4 Ų55.424%0.24133%0.334CS..Hα-helixtrans-59.3-49.3177165.6-98.7000112.4S107 Y108 E109 L113 A114 A115 Y179 N183S107-F111 PolarHBondContact O-N 3.35Å; S107-F111 VanDerWaalsContact O-N 3.07Å; Y108-F111 HydrophobicContact CD2-CB 4.41Å; Y108-F111 AromaticContact CD2-CD1 3.7Å; Y108-F111 HydrophobicContact CD2-CD1 3.7Å; Y108-F111 HydrophobicContact CD2-CE1 4.4Å; Y108-F111 HydrophobicContact CD2-CG 4.35Å; Y108-F111 AromaticContact CE2-CD1 3.38Å; Y108-F111 HydrophobicContact CE2-CD1 3.38Å; Y108-F111 AromaticContact CE2-CE1 3.66Å; Y108-F111 HydrophobicContact CE2-CE1 3.66Å; Y108-F111 HydrophobicContact CE2-CG 4.39Å; Y108-F111 WeakPolarHBondContact O-CB 3.1Å; Y108-F111 PolarHBondContact O-N 2.81Å; E109-F111 VanDerWaalsContact C-N 3.34Å; E109-F111 PolarHBondContact O-N 2.89Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 PolarHBondContact O-N 3.07Å; F111-A114 PolarHBondContact O-N 3.33Å; F111-A115 PolarHBondContact O-N 3.48Å; F111-Y179 HydrophobicContact CE1-CE1 4.3Å; F111-Y179 AromaticContact CE2-CE1 3.66Å; F111-Y179 HydrophobicContact CE2-CE1 3.66Å; F111-Y179 AromaticContact CE2-CZ 3.88Å; F111-Y179 AromaticContact CZ-CD1 3.95Å; F111-Y179 HydrophobicContact CZ-CD1 3.95Å; F111-Y179 AromaticContact CZ-CE1 3.33Å; F111-Y179 HydrophobicContact CZ-CE1 3.33Å; F111-Y179 AromaticContact CZ-CZ 3.77Å; F111-N183 HydrophobicContact CE1-CB 3.85Å; F111-N183 HydrophobicContact CZ-CB 3.59Å
112V97.5Very high96.6Very high1 Ų154.1 Ų54.11%0.00634%0.335CS..Hα-helixtrans-64.8-40.3-179.5175.50000111.2Y108 E109 A115 A116 I163 F176 I180Y108-V112 HydrophobicContact CD1-CG2 4.2Å; Y108-V112 HydrophobicContact CE1-CG2 3.89Å; Y108-V112 HydrophobicContact CE2-CG2 4.48Å; Y108-V112 WeakPolarHBondContact O-CG2 3.4Å; Y108-V112 PolarHBondContact O-N 3.42Å; E109-V112 PolarHBondContact O-N 2.95Å; V112-A115 PolarHBondContact O-N 3.22Å; V112-A116 PolarHBondContact O-N 3.08Å; V112-I163 HydrophobicContact CB-CD1 3.58Å; V112-I163 HydrophobicContact CG1-CD1 3.48Å; V112-I163 VanDerWaalsContact CG1-CD1 3.48Å; V112-I163 HydrophobicContact CG1-CG2 4.26Å; V112-I163 HydrophobicContact CG2-CD1 4.22Å; V112-F176 HydrophobicContact CG1-CZ 3.97Å; V112-I180 HydrophobicContact CG1-CD1 3.8Å; V112-I180 HydrophobicContact CG1-CG1 4.43Å; V112-I180 HydrophobicContact CG2-CD1 4.4Å; V112-I180 HydrophobicContact CG2-CG1 4.32Å
113L96.2Very high96.7Very high65 Ų6549.1 Ų49.134%0.3432%0.321SS..Hα-helixtrans-64.7-40.4175.9-69.5173.3000112E109 V110 F111 A116 G117 V123E109-L113 HydrophobicContact CG-CD1 4.27Å; E109-L113 VanDerWaalsContact O-CG 3.27Å; E109-L113 WeakPolarHBondContact O-CG 3.21Å; E109-L113 PolarHBondContact O-N 3.22Å; E109-L113 VanDerWaalsContact O-N 3.08Å; V110-L113 PolarHBondContact O-N 3.07Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 PolarHBondContact O-N 3.07Å; L113-A116 PolarHBondContact O-N 2.94Å; L113-G117 PolarHBondContact O-N 3.02Å; L113-V123 HydrophobicContact CD2-CB 4.5Å; L113-V123 HydrophobicContact CD2-CG1 3.91Å; L113-V123 HydrophobicContact CD2-CG2 4.22Å
114A97.5Very high96.6Very high44 Ų4448.1 Ų48.136%0.36431%0.308SS..Hα-helixtrans-62.9-45175.200000111.5V110 F111 A116 G117 H118V110-A114 WeakPolarHBondContact O-CB 3.4Å; V110-A114 PolarHBondContact O-N 2.83Å; F111-A114 PolarHBondContact O-N 3.33Å; A114-A116 PolarHBondContact O-N 3.42Å; A114-G117 PolarHBondContact O-N 2.73Å; A114-G117 VanDerWaalsContact O-N 3.15Å; A114-H118 PolarHBondContact O-CD2 2.75Å; A114-H118 PolarHBondContact O-N 3.31Å
115A97.4Very high96.2Very high9 Ų954.4 Ų54.47%0.07434%0.335CS..Hα-helixtrans-60.1-44176.500000112.2F111 V112 G117 H118 L119 F176 Y179F111-A115 PolarHBondContact O-N 3.48Å; V112-A115 PolarHBondContact O-N 3.22Å; A115-G117 VanDerWaalsContact C-N 3.32Å; A115-G117 PolarHBondContact O-N 3.45Å; A115-H118 PolarHBondContact O-N 3.32Å; A115-L119 PolarHBondContact O-N 2.83Å; A115-L119 VanDerWaalsContact O-N 3.15Å; A115-F176 HydrophobicContact CB-CE2 4.22Å; A115-Y179 HydrophobicContact CB-CD1 3.92Å; A115-Y179 HydrophobicContact CB-CE1 3.9Å
116A96.5Very high95.7Very high1 Ų159.8 Ų59.81%0.00837%0.372CS..Hα-helixtrans-62.1-40.9174.500000111.7V112 L113 A114 L119 G120 I121 V123 F176V112-A116 PolarHBondContact O-N 3.08Å; L113-A116 PolarHBondContact O-N 2.94Å; A114-A116 PolarHBondContact O-N 3.42Å; A116-L119 PolarHBondContact O-N 3.31Å; A116-G120 PolarHBondContact O-N 3.43Å; A116-G120 VanDerWaalsContact O-N 3.08Å; A116-I121 HydrophobicContact CB-CB 4.19Å; A116-I121 HydrophobicContact CB-CG2 4.38Å; A116-I121 PolarHBondContact O-N 2.71Å; A116-V123 HydrophobicContact CB-CG2 3.77Å; A116-F176 HydrophobicContact CB-CE2 4Å; A116-F176 HydrophobicContact CB-CZ 4.05Å
117G96.6Very high94.9Very high53 Ų5358.7 Ų58.755%0.54637%0.368SS..Hα-helixtrans-60.9-44175.500000113.1L113 A114 A115 L119 G120L113-G117 PolarHBondContact O-N 3.02Å; A114-G117 PolarHBondContact O-N 2.73Å; A114-G117 VanDerWaalsContact O-N 3.15Å; A115-G117 VanDerWaalsContact C-N 3.32Å; A115-G117 PolarHBondContact O-N 3.45Å; G117-L119 VanDerWaalsContact C-N 3.33Å; G117-L119 PolarHBondContact O-N 3.39Å; G117-G120 PolarHBondContact O-N 2.86Å; G117-G120 VanDerWaalsContact O-N 3.16Å
118H97.2Very high94.2Very high163 Ų16359.4 Ų59.476%0.75536%0.362SS*.Hα-helixtrans-66-33.6177.9-69.6-56.7000113.4A114 A115 G120A114-H118 PolarHBondContact O-CD2 2.75Å; A114-H118 PolarHBondContact O-N 3.31Å; A115-H118 PolarHBondContact O-N 3.32Å; H118-G120 VanDerWaalsContact C-N 3.3Å
119L95.8Very high93.9Very high94 Ų9461.7 Ų61.749%0.49238%0.375SS..THydrogen-bonded Turntrans-82.9-5.2175.4-68173000113.3A115 A116 G117 I121 F176A115-L119 PolarHBondContact O-N 2.83Å; A115-L119 VanDerWaalsContact O-N 3.15Å; A116-L119 PolarHBondContact O-N 3.31Å; G117-L119 VanDerWaalsContact C-N 3.33Å; G117-L119 PolarHBondContact O-N 3.39Å; L119-I121 VanDerWaalsContact C-N 3.27Å; L119-I121 HydrophobicContact CB-CD1 3.68Å; L119-I121 HydrophobicContact CB-CG1 3.74Å; L119-I121 HydrophobicContact CD1-CD1 3.72Å; L119-I121 HydrophobicContact CG-CD1 4.37Å; L119-I121 PolarHBondContact O-N 2.77Å; L119-F176 HydrophobicContact CD1-CB 4.16Å; L119-F176 HydrophobicContact CD1-CD2 3.8Å; L119-F176 HydrophobicContact CD1-CG 4.43Å
120G96Very high93.8Very high71 Ų7165.2 Ų65.273%0.73239%0.39SS*.THydrogen-bonded Turntrans68.426.6-176.200000113.4A116 G117 H118A116-G120 PolarHBondContact O-N 3.43Å; A116-G120 VanDerWaalsContact O-N 3.08Å; G117-G120 PolarHBondContact O-N 2.86Å; G117-G120 VanDerWaalsContact O-N 3.16Å; H118-G120 VanDerWaalsContact C-N 3.3Å
121I96.7Very high93.6Very high16 Ų1661.1 Ų61.18%0.08237%0.365CS..PPolyproline II helixtrans-83.2130-177.8-69.2175.3000110A116 L119 V123 V165 L168 T172 F176A116-I121 HydrophobicContact CB-CB 4.19Å; A116-I121 HydrophobicContact CB-CG2 4.38Å; A116-I121 PolarHBondContact O-N 2.71Å; L119-I121 VanDerWaalsContact C-N 3.27Å; L119-I121 HydrophobicContact CB-CD1 3.68Å; L119-I121 HydrophobicContact CB-CG1 3.74Å; L119-I121 HydrophobicContact CD1-CD1 3.72Å; L119-I121 HydrophobicContact CG-CD1 4.37Å; L119-I121 PolarHBondContact O-N 2.77Å; I121-V123 PolarHBondContact O-N 3.06Å; I121-V165 HydrophobicContact CG2-CB 4.36Å; I121-V165 HydrophobicContact CG2-CG1 3.09Å; I121-V165 HydrophobicContact CG2-CG2 4.42Å; I121-L168 HydrophobicContact CB-CD2 4.48Å; I121-L168 HydrophobicContact CD1-CD2 4.2Å; I121-L168 HydrophobicContact CG1-CD2 3.97Å; I121-L168 HydrophobicContact CG2-CD1 4.45Å; I121-L168 HydrophobicContact CG2-CD2 3.89Å; I121-L168 HydrophobicContact CG2-CG 4.47Å; I121-T172 HydrophobicContact CD1-CG2 4.16Å; I121-T172 HydrophobicContact CG1-CG2 4.39Å; I121-F176 HydrophobicContact CD1-CB 3.95Å; I121-F176 HydrophobicContact CD1-CD1 4.41Å; I121-F176 HydrophobicContact CD1-CD2 3.87Å; I121-F176 HydrophobicContact CD1-CE2 4.42Å; I121-F176 HydrophobicContact CD1-CG 3.83Å
122A95.5Very high93.2Very high56 Ų5659.3 Ų59.346%0.46336%0.359SS..PPolyproline II helixtrans-75119177.500000111.7V166A122-V166 HydrophobicContact CB-CG2 3.88Å; A122-V166 WeakPolarHBondContact O-CG2 3.27Å; A122-V166 PolarHBondContact O-N 2.95Å
123V96.5Very high93Very high46 Ų4660.8 Ų60.828%0.27937%0.365SS..BIsolated β-bridgetrans-96135.4174.4-1760000109.2L113 A116 I121 E125 I163 R164L113-V123 HydrophobicContact CD2-CB 4.5Å; L113-V123 HydrophobicContact CD2-CG1 3.91Å; L113-V123 HydrophobicContact CD2-CG2 4.22Å; A116-V123 HydrophobicContact CB-CG2 3.77Å; I121-V123 PolarHBondContact O-N 3.06Å; V123-E125 PolarHBondContact O-N 2.87Å; V123-I163 HydrophobicContact CG1-CG2 4.23Å; V123-R164 WeakPolarHBondContact CG1-O 3.37Å
124D94.2Very high92.7Very high33 Ų3358.2 Ų58.218%0.17635%0.351CS..  trans-83.9106.9175.1-179.922.2000110.8S126 R164 V166D124-S126 VanDerWaalsContact C-N 3.29Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.25Å; D124-S126 PolarHBondContact OD1-OG 2.93Å; D124-R164 HydrophobicContact CB-CB 4.08Å; D124-R164 PolarHBondContact N-O 3Å; D124-R164 IonicContact OD2-CZ 3.15Å; D124-R164 IonicContact OD2-NH1 3Å; D124-R164 PolarHBondContact OD2-NH1 3.19Å; D124-R164 IonicContact OD2-NH2 3.23Å; D124-R164 PolarHBondContact OD2-NH2 2.7Å; D124-V166 HydrophobicContact CB-CG1 3.72Å
125E88.8Confident92.3Very high183 Ų18356.8 Ų56.886%0.85534%0.338SS*.THydrogen-bonded Turntrans-77.3-14.7176.8-60.8-178.5176.700113.1V123 G127V123-E125 PolarHBondContact O-N 2.87Å; E125-G127 PolarHBondContact O-N 3.36Å
126S85.8Confident91.8Very high112 Ų11260.8 Ų60.878%0.78335%0.351SS*.THydrogen-bonded Turntrans-68.9-17.1-176.9-36.20000112.7D124D124-S126 VanDerWaalsContact C-N 3.29Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.25Å; D124-S126 PolarHBondContact OD1-OG 2.93Å
127G78.9Confident91.4Very high24 Ų2465.4 Ų65.425%0.24737%0.368CS..SBendtrans-81.9158-178.700000114.2E125 L129E125-G127 PolarHBondContact O-N 3.36Å; G127-L129 PolarHBondContact O-N 3.43Å
128E83.8Confident90.7Very high102 Ų10266.4 Ų66.448%0.47736%0.355SS..  trans-72.696.1169.9-172.4175.6-137.800110.4K130 P132E128-K130 PolarHBondContact O-N 3.49Å; E128-P132 WeakPolarHBondContact OE2-CD 3.37Å
129L90.8Very high90.1Very high56 Ų5662.1 Ų62.129%0.29334%0.341SS..SBendtrans-61.9-33.1178.1-17854.6000112.8E109 G127 P131 R161 R162 I163E109-L129 HydrophobicContact CG-CD1 4.25Å; E109-L129 HydrophobicContact CG-CD2 4.21Å; E109-L129 HydrophobicContact CG-CG 4.4Å; E109-L129 WeakPolarHBondContact OE1-CD2 3.15Å; G127-L129 PolarHBondContact O-N 3.43Å; L129-P131 WeakPolarHBondContact O-CD 3.36Å; L129-R161 WeakPolarHBondContact O-CA 3.4Å; L129-R162 WeakPolarHBondContact CA-O 3.15Å; L129-R162 VanDerWaalsContact CD1-O 3.22Å; L129-R162 WeakPolarHBondContact CD1-O 3.27Å; L129-R162 PolarHBondContact O-N 3.2Å; L129-I163 HydrophobicContact CD1-CG1 3.72Å
130K93Very high89.6Confident91 Ų9160.7 Ų60.740%0.39633%0.333SS..SBendtrans-121.376.4-176.3-58.7-172.8173.5170.80110.2E109 E128 R161E109-K130 WeakPolarHBondContact OE1-CE 3.47Å; E109-K130 IonicContact OE1-NZ 3.2Å; E109-K130 WeakPolarHBondContact OE2-CE 3.22Å; E109-K130 IonicContact OE2-NZ 3.75Å; E128-K130 PolarHBondContact O-N 3.49Å; K130-R161 VanDerWaalsContact CB-NH1 3.31Å; K130-R161 VanDerWaalsContact CD-NH1 3.31Å
131P92.3Very high89.3Confident9 Ų961.1 Ų61.16%0.05832%0.318CS..PPolyproline II helixtrans-59.4156176.1-22.132.7000111.6L129 Y133 R160 R162L129-P131 WeakPolarHBondContact O-CD 3.36Å; P131-Y133 PolarHBondContact O-N 2.85Å; P131-R160 HydrophobicContact CB-CB 4.49Å; P131-R162 HydrophobicContact CG-CB 4.21Å; P131-R162 VanDerWaalsContact CG-CD 3.44Å; P131-R162 HydrophobicContact CG-CG 3.65Å
132P90.9Very high88.9Confident16 Ų1667.5 Ų67.510%0.10435%0.346CS..PPolyproline II helixtrans-53.3130.4174.4-28.235000111.7L41 R43 E128L41-P132 HydrophobicContact CB-CB 4.13Å; L41-P132 HydrophobicContact CB-CG 4.05Å; L41-P132 CarbonylContact O-C 3.55Å; L41-P132 WeakPolarHBondContact O-CA 3.49Å; L41-P132 VanDerWaalsContact O-CB 3.24Å; L41-P132 WeakPolarHBondContact O-CB 3.47Å; R43-P132 HydrophobicContact CB-CB 4.49Å; R43-P132 HydrophobicContact CG-CB 3.72Å; E128-P132 WeakPolarHBondContact OE2-CD 3.37Å
133Y92.5Very high88.5Confident33 Ų3368 Ų6813%0.12935%0.345CS..EExtended strand (participates in β ladder)trans-74.6153.3177.375.8-89.8000110.2D40 L41 V42 R43 P131 L135 T158 Y159D40-Y133 HydrophobicContact CB-CD1 3.85Å; D40-Y133 HydrophobicContact CB-CE1 3.98Å; L41-Y133 PolarHBondContact O-N 3.25Å; V42-Y133 HydrophobicContact CB-CE1 4.1Å; V42-Y133 HydrophobicContact CG1-CD2 4.41Å; V42-Y133 HydrophobicContact CG1-CE1 4.24Å; V42-Y133 HydrophobicContact CG1-CE2 3.79Å; V42-Y133 HydrophobicContact CG2-CD1 4.46Å; V42-Y133 HydrophobicContact CG2-CE1 3.5Å; V42-Y133 HydrophobicContact CG2-CE2 4.39Å; V42-Y133 VanDerWaalsContact CG2-CZ 3.43Å; V42-Y133 WeakPolarHBondContact CG2-OH 3.47Å; R43-Y133 PolarHBondContact N-O 2.91Å; P131-Y133 PolarHBondContact O-N 2.85Å; Y133-L135 HydrophobicContact CD2-CB 4.47Å; Y133-L135 HydrophobicContact CE2-CB 3.98Å; Y133-T158 WeakPolarHBondContact CA-O 3.44Å; Y133-T158 WeakPolarHBondContact CB-O 3.44Å; Y133-Y159 HydrophobicContact CD1-CD1 4.03Å; Y133-Y159 AromaticContact CD1-CE1 3.78Å; Y133-Y159 HydrophobicContact CD1-CE1 3.78Å; Y133-Y159 HydrophobicContact CD2-CD1 4.29Å; Y133-Y159 AromaticContact CD2-CE1 3.98Å; Y133-Y159 HydrophobicContact CD2-CE1 3.98Å; Y133-Y159 HydrophobicContact CE1-CE1 4.08Å; Y133-Y159 HydrophobicContact CE2-CE1 4.31Å; Y133-Y159 AromaticContact CG-CD1 3.74Å; Y133-Y159 HydrophobicContact CG-CD1 3.74Å; Y133-Y159 AromaticContact CG-CE1 3.7Å; Y133-Y159 HydrophobicContact CG-CE1 3.7Å
134V90.5Very high88Confident10 Ų1070.7 Ų70.76%0.06137%0.373CS..EExtended strand (participates in β ladder)trans-95.2123.7178.4176.60000108.8R43 I45 T158R43-V134 HydrophobicContact CB-CG2 4.48Å; I45-V134 HydrophobicContact CD1-CG1 3.51Å; I45-V134 HydrophobicContact CG1-CG1 4.09Å; V134-T158 PolarHBondContact N-O 3.09Å; V134-T158 PolarHBondContact O-N 2.98Å
135L89.3Confident87.6Confident15 Ų1576.8 Ų76.88%0.07940%0.4CS..EExtended strand (participates in β ladder)trans-107115.5172.5179.866000109.1V42 R43 Y44 I45 Y133 E155 R157V42-L135 HydrophobicContact CG1-CB 3.58Å; V42-L135 HydrophobicContact CG1-CD2 4.14Å; R43-L135 PolarHBondContact O-N 3.5Å; R43-L135 VanDerWaalsContact O-N 3.13Å; Y44-L135 HydrophobicContact CD1-CD2 4.15Å; Y44-L135 HydrophobicContact CE1-CD2 3.98Å; I45-L135 PolarHBondContact N-O 2.77Å; Y133-L135 HydrophobicContact CD2-CB 4.47Å; Y133-L135 HydrophobicContact CE2-CB 3.98Å; L135-E155 HydrophobicContact CD1-CB 4.09Å; L135-E155 HydrophobicContact CD1-CG 4.4Å; L135-R157 HydrophobicContact CD1-CG 3.74Å
136W87.5Confident87.3Confident92 Ų9270.8 Ų70.835%0.34838%0.376SS..EExtended strand (participates in β ladder)trans-93.5128.8165.9-95.161.5000109.6M47 I55 E155 T156M47-W136 HydrophobicContact CE-CE3 4.42Å; M47-W136 HydrophobicContact CE-CH2 3.01Å; M47-W136 HydrophobicContact CE-CZ2 3.94Å; M47-W136 HydrophobicContact CE-CZ3 3.3Å; M47-W136 HydrophobicContact CG-CD2 4.11Å; M47-W136 HydrophobicContact CG-CE3 3.64Å; M47-W136 HydrophobicContact CG-CH2 3.66Å; M47-W136 HydrophobicContact CG-CZ2 4.04Å; M47-W136 HydrophobicContact CG-CZ3 3.42Å; M47-W136 VanDerWaalsContact CG-CZ3 3.42Å; M47-W136 HydrophobicContact SD-CE3 4.29Å; M47-W136 HydrophobicContact SD-CH2 3.16Å; M47-W136 WeakPolarHBondContact SD-CH2 3.43Å; M47-W136 HydrophobicContact SD-CZ2 3.47Å; M47-W136 WeakPolarHBondContact SD-CZ2 3.41Å; M47-W136 HydrophobicContact SD-CZ3 3.6Å; M47-W136 VanDerWaalsContact SD-CZ3 3.6Å; I55-W136 HydrophobicContact CD1-CH2 3.89Å; I55-W136 HydrophobicContact CD1-CZ3 3.86Å; W136-E155 CarbonylContact O-C 3.36Å; W136-E155 WeakPolarHBondContact O-CA 3.22Å; W136-T156 PolarHBondContact N-O 3.29Å; W136-T156 PolarHBondContact O-N 3.41Å
137R86.7Confident87.2Confident99 Ų9972.3 Ų72.337%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-127.9126.2176.2-172.4172.9-178.1-174.76.5110.3Q153 Y154 E155R137-Q153 VanDerWaalsContact NH2-NE2 3.13Å; R137-Y154 CarbonylContact C-O 3.57Å; R137-Y154 WeakPolarHBondContact CA-O 3.29Å; R137-E155 HydrophobicContact CG-CG 4.22Å; R137-E155 IonicContact NE-OE1 3.98Å
138R81.9Confident87.4Confident73 Ų7380 Ų8028%0.27540%0.397SS..EExtended strand (participates in β ladder)trans-121.5125.5177.4-171.1179.7179159.2-5.4109.9I52 L140 Q153 Y154I52-R138 HydrophobicContact CD1-CG 4.37Å; R138-L140 HydrophobicContact CG-CD2 4.29Å; R138-L140 HydrophobicContact CG-CG 4.03Å; R138-Q153 CarbonylContact O-C 3.53Å; R138-Q153 WeakPolarHBondContact O-CA 3.46Å; R138-Y154 PolarHBondContact N-O 3.38Å; R138-Y154 PolarHBondContact O-N 3.49Å
139T85.6Confident87.6Confident73 Ų7380.5 Ų80.545%0.44841%0.412SS..EExtended strand (participates in β ladder)trans-100.6115.7172.9-51.60000109R151 V152 Q153T139-R151 HydrophobicContact CG2-CB 4Å; T139-V152 CarbonylContact C-O 3.52Å; T139-V152 WeakPolarHBondContact CA-O 3.34Å; T139-Q153 HydrophobicContact CG2-CG 4.07Å
140L84.2Confident87.4Confident64 Ų6478.4 Ų78.434%0.33540%0.402SS..EExtended strand (participates in β ladder)trans-117.6164.2175-68.8-177.7000110.4R138 R151 V152 Y154R138-L140 HydrophobicContact CG-CD2 4.29Å; R138-L140 HydrophobicContact CG-CG 4.03Å; L140-R151 CarbonylContact O-C 3.57Å; L140-R151 VanDerWaalsContact O-CA 3.28Å; L140-R151 WeakPolarHBondContact O-CA 3.43Å; L140-V152 PolarHBondContact N-O 2.81Å; L140-V152 PolarHBondContact O-N 2.97Å; L140-Y154 HydrophobicContact CB-CD2 4.47Å; L140-Y154 HydrophobicContact CB-CE2 4.23Å; L140-Y154 HydrophobicContact CD1-CD2 4.32Å; L140-Y154 HydrophobicContact CD1-CE2 4.25Å
141L90.1Very high87.3Confident80 Ų8082.5 Ų82.542%0.41942%0.415SS..EExtended strand (participates in β ladder)trans-78.9148.6160.8-61.1167.3000108.5S143 V146 A150L141-S143 WeakPolarHBondContact CB-O 3.31Å; L141-S143 PolarHBondContact O-N 3.41Å; L141-V146 WeakPolarHBondContact CD1-O 3.41Å; L141-A150 WeakPolarHBondContact CA-O 3.39Å
142K88.2Confident87.1Confident151 Ų15183.9 Ų83.966%0.65742%0.423SS*.SBendtrans-55.6-36.3176-73.9-177.5-175.6-177.30112.9A150 V152K142-A150 HydrophobicContact CB-CB 4.27Å; K142-A150 HydrophobicContact CD-CB 4.11Å; K142-A150 HydrophobicContact CG-CB 4.17Å; K142-A150 WeakPolarHBondContact CG-O 3.36Å; K142-A150 PolarHBondContact N-O 3.27Å; K142-V152 HydrophobicContact CD-CG2 4.15Å; K142-V152 HydrophobicContact CG-CG2 3.39Å
143S87.8Confident87.2Confident65 Ų6587.2 Ų87.246%0.45544%0.438SS..SBendtrans-150.3161-179.8168.50000109.7L141 H145 V146L141-S143 WeakPolarHBondContact CB-O 3.31Å; L141-S143 PolarHBondContact O-N 3.41Å; S143-H145 VanDerWaalsContact C-N 3.31Å; S143-H145 PolarHBondContact O-N 3.1Å; S143-V146 PolarHBondContact O-N 3.44Å
144A86.5Confident87.1Confident104 Ų10491.8 Ų91.886%0.8646%0.456SS*.THydrogen-bonded Turntrans-61.7-34.3-176.100000113.7
145H84.9Confident87Confident160 Ų16095.1 Ų95.174%0.74147%0.47SS*.THydrogen-bonded Turntrans-93.46-175.4-162.390.2000113.5S143 H147S143-H145 VanDerWaalsContact C-N 3.31Å; S143-H145 PolarHBondContact O-N 3.1Å; H145-H147 PolarHBondContact O-ND1 2.84Å
146V82.4Confident87.1Confident58 Ų5898 Ų9835%0.35249%0.488SS..  trans-107.3126.9-174.4-1680000111L141 S143 A150L141-V146 WeakPolarHBondContact CD1-O 3.41Å; S143-V146 PolarHBondContact O-N 3.44Å; V146-A150 HydrophobicContact CB-CB 4.07Å; V146-A150 HydrophobicContact CG1-CB 3.23Å
147H83.7Confident87.3Confident144 Ų14499.1 Ų99.167%0.66749%0.493SS*.  trans-100.4133.2-169.1-61.382000112.9H145 S149H145-H147 PolarHBondContact O-ND1 2.84Å; H147-S149 VanDerWaalsContact C-N 3.33Å; H147-S149 PolarHBondContact O-N 2.82Å
148K83.5Confident87.7Confident185 Ų18595.9 Ų95.980%0.80448%0.484SS*.G310 helixtrans54.8-60.4163.6-162174.6-178.5179.70118.5A150K148-A150 VanDerWaalsContact C-N 3.31Å; K148-A150 PolarHBondContact O-N 3.07Å
149S87.1Confident88.3Confident113 Ų11393.3 Ų93.379%0.7948%0.475SS*.G310 helixtrans-69.1-29-176.959.70000112.6H147 R151H147-S149 VanDerWaalsContact C-N 3.33Å; H147-S149 PolarHBondContact O-N 2.82Å; S149-R151 PolarHBondContact O-N 2.92Å
150A88.1Confident88.8Confident12 Ų1293 Ų9310%0.09947%0.465CS..G310 helixtrans-86.735.2178.100000114L141 K142 V146 K148L141-A150 WeakPolarHBondContact CA-O 3.39Å; K142-A150 HydrophobicContact CB-CB 4.27Å; K142-A150 HydrophobicContact CD-CB 4.11Å; K142-A150 HydrophobicContact CG-CB 4.17Å; K142-A150 WeakPolarHBondContact CG-O 3.36Å; K142-A150 PolarHBondContact N-O 3.27Å; V146-A150 HydrophobicContact CB-CB 4.07Å; V146-A150 HydrophobicContact CG1-CB 3.23Å; K148-A150 VanDerWaalsContact C-N 3.31Å; K148-A150 PolarHBondContact O-N 3.07Å
151R89.8Confident89.3Confident177 Ų17790.4 Ų90.467%0.66845%0.451SS*.EExtended strand (participates in β ladder)trans-74.2133.2171.262.5-176.6-179.2177.8-0.8110.4T139 L140 S149T139-R151 HydrophobicContact CG2-CB 4Å; L140-R151 CarbonylContact O-C 3.57Å; L140-R151 VanDerWaalsContact O-CA 3.28Å; L140-R151 WeakPolarHBondContact O-CA 3.43Å; S149-R151 PolarHBondContact O-N 2.92Å
152V88.9Confident89.6Confident38 Ų3890.9 Ų90.923%0.2345%0.447CS..EExtended strand (participates in β ladder)trans-120.4141.7175173.10000108.7T139 L140 K142 Y154T139-V152 CarbonylContact C-O 3.52Å; T139-V152 WeakPolarHBondContact CA-O 3.34Å; L140-V152 PolarHBondContact N-O 2.81Å; L140-V152 PolarHBondContact O-N 2.97Å; K142-V152 HydrophobicContact CD-CG2 4.15Å; K142-V152 HydrophobicContact CG-CG2 3.39Å; V152-Y154 HydrophobicContact CB-CE2 4.08Å; V152-Y154 HydrophobicContact CG1-CD2 4.11Å; V152-Y154 HydrophobicContact CG1-CE1 4.15Å; V152-Y154 HydrophobicContact CG1-CE2 3.61Å
153Q91.7Very high90Very high86 Ų8683.8 Ų83.840%0.40242%0.417SS..EExtended strand (participates in β ladder)trans-108.9116.9177.7-69.7169.3-15.500108.7R137 R138 T139R137-Q153 VanDerWaalsContact NH2-NE2 3.13Å; R138-Q153 CarbonylContact O-C 3.53Å; R138-Q153 WeakPolarHBondContact O-CA 3.46Å; T139-Q153 HydrophobicContact CG2-CG 4.07Å
154Y90.7Very high90.4Very high129 Ų12984.7 Ų84.751%0.50641%0.41SS..EExtended strand (participates in β ladder)trans-94.8136.7172-64-82.4000108.5R137 R138 L140 V152R137-Y154 CarbonylContact C-O 3.57Å; R137-Y154 WeakPolarHBondContact CA-O 3.29Å; R138-Y154 PolarHBondContact N-O 3.38Å; R138-Y154 PolarHBondContact O-N 3.49Å; L140-Y154 HydrophobicContact CB-CD2 4.47Å; L140-Y154 HydrophobicContact CB-CE2 4.23Å; L140-Y154 HydrophobicContact CD1-CD2 4.32Å; L140-Y154 HydrophobicContact CD1-CE2 4.25Å; V152-Y154 HydrophobicContact CB-CE2 4.08Å; V152-Y154 HydrophobicContact CG1-CD2 4.11Å; V152-Y154 HydrophobicContact CG1-CE1 4.15Å; V152-Y154 HydrophobicContact CG1-CE2 3.61Å
155E88.6Confident90.9Very high79 Ų7979.8 Ų79.837%0.36937%0.369SS..EExtended strand (participates in β ladder)trans-126.7136.1-179.3-62.7-175-177.800110.3L135 W136 R137 R157L135-E155 HydrophobicContact CD1-CB 4.09Å; L135-E155 HydrophobicContact CD1-CG 4.4Å; W136-E155 CarbonylContact O-C 3.36Å; W136-E155 WeakPolarHBondContact O-CA 3.22Å; R137-E155 HydrophobicContact CG-CG 4.22Å; R137-E155 IonicContact NE-OE1 3.98Å; E155-R157 IonicContact OE2-CZ 3Å; E155-R157 IonicContact OE2-NE 3.79Å; E155-R157 IonicContact OE2-NH2 3.81Å; E155-R157 PolarHBondContact OE2-NH2 3.34Å
156T90.7Very high91.4Very high75 Ų7573.6 Ų73.646%0.4634%0.343SS..EExtended strand (participates in β ladder)trans-119.9119.2168.6-55.20000108.1W136W136-T156 PolarHBondContact N-O 3.29Å; W136-T156 PolarHBondContact O-N 3.41Å
157R92.2Very high92.1Very high116 Ų11681.5 Ų81.544%0.43837%0.366SS..EExtended strand (participates in β ladder)trans-102.3124-179.9-62.5176.6-174.6178.22.3108.4H100 L135 E155 Y159H100-R157 PolarHBondContact ND1-O 3.46Å; L135-R157 HydrophobicContact CD1-CG 3.74Å; E155-R157 IonicContact OE2-CZ 3Å; E155-R157 IonicContact OE2-NE 3.79Å; E155-R157 IonicContact OE2-NH2 3.81Å; E155-R157 PolarHBondContact OE2-NH2 3.34Å; R157-Y159 HydrophobicContact CB-CE2 3.86Å
158T94.8Very high92.6Very high32 Ų3275.2 Ų75.220%0.19634%0.338CS..EExtended strand (participates in β ladder)trans-121.397.6174.7-54.90000108.8K98 Y133 V134K98-T158 HydrophobicContact CB-CG2 4.25Å; Y133-T158 WeakPolarHBondContact CA-O 3.44Å; Y133-T158 WeakPolarHBondContact CB-O 3.44Å; V134-T158 PolarHBondContact N-O 3.09Å; V134-T158 PolarHBondContact O-N 2.98Å
159Y95.6Very high93.2Very high18 Ų1868.4 Ų68.47%0.07131%0.311CS..EExtended strand (participates in β ladder)trans-76.5148.9173.5-61.4-77000110.1K98 G99 H100 R102 L105 Y133 R157K98-Y159 WeakPolarHBondContact CA-O 3.4Å; G99-Y159 PolarHBondContact N-O 3.38Å; G99-Y159 PolarHBondContact O-N 3Å; H100-Y159 WeakPolarHBondContact O-CD2 3.08Å; H100-Y159 WeakPolarHBondContact O-CE2 3.42Å; R102-Y159 HydrophobicContact CB-CD1 4.37Å; R102-Y159 HydrophobicContact CB-CD2 4.27Å; R102-Y159 HydrophobicContact CB-CE1 4.41Å; R102-Y159 HydrophobicContact CB-CE2 4.3Å; R102-Y159 HydrophobicContact CB-CG 4.3Å; L105-Y159 VanDerWaalsContact CD1-CB 3.4Å; Y133-Y159 HydrophobicContact CD1-CD1 4.03Å; Y133-Y159 AromaticContact CD1-CE1 3.78Å; Y133-Y159 HydrophobicContact CD1-CE1 3.78Å; Y133-Y159 HydrophobicContact CD2-CD1 4.29Å; Y133-Y159 AromaticContact CD2-CE1 3.98Å; Y133-Y159 HydrophobicContact CD2-CE1 3.98Å; Y133-Y159 HydrophobicContact CE1-CE1 4.08Å; Y133-Y159 HydrophobicContact CE2-CE1 4.31Å; Y133-Y159 AromaticContact CG-CD1 3.74Å; Y133-Y159 HydrophobicContact CG-CD1 3.74Å; Y133-Y159 AromaticContact CG-CE1 3.7Å; Y133-Y159 HydrophobicContact CG-CE1 3.7Å; R157-Y159 HydrophobicContact CB-CE2 3.86Å
160R94.8Very high93.6Very high66 Ų6664 Ų6425%0.24928%0.28CS..EExtended strand (participates in β ladder)trans-132.9142.9-176.3-57.3-174.4177.9166.6-2.9110.2M97 K98 P131M97-R160 CarbonylContact O-C 3.44Å; M97-R160 VanDerWaalsContact O-CA 3.24Å; M97-R160 WeakPolarHBondContact O-CA 3.23Å; K98-R160 HydrophobicContact CG-CG 4.23Å; P131-R160 HydrophobicContact CB-CB 4.49Å
161R95.8Very high93.9Very high10 Ų1066.1 Ų66.14%0.03830%0.295CS..EExtended strand (participates in β ladder)trans-130.2142.9170.1-63.6-60.6-172.4-132.81.1109D40 E96 M97 L105 E109 L129 K130D40-R161 IonicContact OD1-NH1 2.67Å; E96-R161 CarbonylContact C-O 3.58Å; E96-R161 WeakPolarHBondContact CA-O 3.15Å; M97-R161 HydrophobicContact CB-CB 4.38Å; M97-R161 HydrophobicContact CE-CB 3.46Å; M97-R161 VanDerWaalsContact CE-CB 3.46Å; M97-R161 HydrophobicContact CE-CG 4.35Å; M97-R161 PolarHBondContact N-O 2.67Å; M97-R161 PolarHBondContact O-N 2.96Å; L105-R161 HydrophobicContact CB-CG 3.92Å; L105-R161 HydrophobicContact CD1-CG 4.46Å; L105-R161 HydrophobicContact CD2-CG 4.35Å; L105-R161 HydrophobicContact CG-CG 4.49Å; E109-R161 VanDerWaalsContact OE2-CD 3.24Å; E109-R161 WeakPolarHBondContact OE2-CD 3.05Å; E109-R161 IonicContact OE2-CZ 3.13Å; E109-R161 IonicContact OE2-NE 2.78Å; E109-R161 PolarHBondContact OE2-NE 3.06Å; L129-R161 WeakPolarHBondContact O-CA 3.4Å; K130-R161 VanDerWaalsContact CB-NH1 3.31Å; K130-R161 VanDerWaalsContact CD-NH1 3.31Å
162R96Very high94.1Very high90 Ų9060.3 Ų60.334%0.3428%0.279SS..EExtended strand (participates in β ladder)trans-132.8111.9-178.9-73.9-175.6174.5162.5-14109.8V95 E96 L129 P131V95-R162 WeakPolarHBondContact O-CA 3.49Å; E96-R162 HydrophobicContact CB-CG 4.45Å; E96-R162 HydrophobicContact CG-CG 4.11Å; E96-R162 IonicContact OE1-CZ 3.69Å; E96-R162 IonicContact OE1-NE 3.49Å; E96-R162 PolarHBondContact OE1-NE 2.92Å; E96-R162 IonicContact OE1-NH2 3.52Å; E96-R162 PolarHBondContact OE1-NH2 3.39Å; L129-R162 WeakPolarHBondContact CA-O 3.15Å; L129-R162 VanDerWaalsContact CD1-O 3.22Å; L129-R162 WeakPolarHBondContact CD1-O 3.27Å; L129-R162 PolarHBondContact O-N 3.2Å; P131-R162 HydrophobicContact CG-CB 4.21Å; P131-R162 VanDerWaalsContact CG-CD 3.44Å; P131-R162 HydrophobicContact CG-CG 3.65Å
163I96.4Very high94.5Very high3 Ų358.5 Ų58.52%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-106.1125.3176.5-60.8174.1000107.4T94 V95 M97 V112 V123 L129 V165T94-I163 CarbonylContact C-O 3.53Å; T94-I163 WeakPolarHBondContact CA-O 3.34Å; V95-I163 PolarHBondContact N-O 3Å; V95-I163 PolarHBondContact O-N 3.45Å; M97-I163 HydrophobicContact CE-CD1 3.73Å; M97-I163 HydrophobicContact CE-CG1 4.18Å; V112-I163 HydrophobicContact CB-CD1 3.58Å; V112-I163 HydrophobicContact CG1-CD1 3.48Å; V112-I163 VanDerWaalsContact CG1-CD1 3.48Å; V112-I163 HydrophobicContact CG1-CG2 4.26Å; V112-I163 HydrophobicContact CG2-CD1 4.22Å; V123-I163 HydrophobicContact CG1-CG2 4.23Å; L129-I163 HydrophobicContact CD1-CG1 3.72Å; I163-V165 HydrophobicContact CG2-CG2 4.34Å
164R96.7Very high94.7Very high83 Ų8357.7 Ų57.731%0.31327%0.267SS..EExtended strand (participates in β ladder)trans-111.3123179.3-69.6-178.967.5-135-9108.6T94 V123 D124T94-R164 HydrophobicContact CG2-CG 3.82Å; V123-R164 WeakPolarHBondContact CG1-O 3.37Å; D124-R164 HydrophobicContact CB-CB 4.08Å; D124-R164 PolarHBondContact N-O 3Å; D124-R164 IonicContact OD2-CZ 3.15Å; D124-R164 IonicContact OD2-NH1 3Å; D124-R164 PolarHBondContact OD2-NH1 3.19Å; D124-R164 IonicContact OD2-NH2 3.23Å; D124-R164 PolarHBondContact OD2-NH2 2.7Å
165V96.4Very high94.9Very high1 Ų155.4 Ų55.41%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-111136.9177.7179.40000108.3C92 I93 I121 I163 L168 F176C92-V165 CarbonylContact C-O 3.45Å; C92-V165 WeakPolarHBondContact CA-O 3.17Å; C92-V165 VanDerWaalsContact CB-O 3.27Å; C92-V165 WeakPolarHBondContact CB-O 3.27Å; I93-V165 PolarHBondContact N-O 3.41Å; I93-V165 PolarHBondContact O-N 3.25Å; I121-V165 HydrophobicContact CG2-CB 4.36Å; I121-V165 HydrophobicContact CG2-CG1 3.09Å; I121-V165 HydrophobicContact CG2-CG2 4.42Å; I163-V165 HydrophobicContact CG2-CG2 4.34Å; V165-L168 HydrophobicContact CB-CD1 4.17Å; V165-L168 HydrophobicContact CG1-CD1 3.31Å; V165-L168 HydrophobicContact CG1-CD2 4.25Å; V165-L168 HydrophobicContact CG1-CG 3.67Å; V165-F176 HydrophobicContact CG2-CE1 3.91Å; V165-F176 HydrophobicContact CG2-CZ 4.35Å
166V95.9Very high95.4Very high31 Ų3151.8 Ų51.819%0.18825%0.249CC..EExtended strand (participates in β ladder)trans-116.9149.3-173.5-69.40000111.8C92 A122 D124C92-V166 HydrophobicContact CB-CG1 4.11Å; A122-V166 HydrophobicContact CB-CG2 3.88Å; A122-V166 WeakPolarHBondContact O-CG2 3.27Å; A122-V166 PolarHBondContact O-N 2.95Å; D124-V166 HydrophobicContact CB-CG1 3.72Å
167R95.9Very high95.7Very high224 Ų22448.6 Ų48.685%0.84523%0.229SC*.EExtended strand (participates in β ladder)trans57.160.3171-50.8174.7-167.5179.43.1113.3K91K91-R167 PolarHBondContact O-N 3.2Å; K91-R167 VanDerWaalsContact O-N 3.07Å
168L96Very high95.9Very high12 Ų1247.3 Ų47.36%0.06323%0.228CC..EExtended strand (participates in β ladder)trans-109147.8178.1-75.2-177.8000112.4Y90 I93 I121 V165 T172 A173Y90-L168 PolarHBondContact N-O 3.01Å; Y90-L168 PolarHBondContact O-N 2.82Å; I93-L168 HydrophobicContact CD1-CB 4.43Å; I93-L168 HydrophobicContact CD1-CD1 3.86Å; I93-L168 HydrophobicContact CG1-CD1 4.47Å; I121-L168 HydrophobicContact CB-CD2 4.48Å; I121-L168 HydrophobicContact CD1-CD2 4.2Å; I121-L168 HydrophobicContact CG1-CD2 3.97Å; I121-L168 HydrophobicContact CG2-CD1 4.45Å; I121-L168 HydrophobicContact CG2-CD2 3.89Å; I121-L168 HydrophobicContact CG2-CG 4.47Å; V165-L168 HydrophobicContact CB-CD1 4.17Å; V165-L168 HydrophobicContact CG1-CD1 3.31Å; V165-L168 HydrophobicContact CG1-CD2 4.25Å; V165-L168 HydrophobicContact CG1-CG 3.67Å; L168-T172 HydrophobicContact CD2-CG2 4.06Å; L168-A173 HydrophobicContact CB-CB 4.37Å; L168-A173 HydrophobicContact CD1-CB 4.19Å
169T95.6Very high96Very high41 Ų4151.1 Ų51.125%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-83.8160.3163.5680000110.2L89 S171 T172 A173L89-T169 HydrophobicContact CD2-CG2 4.09Å; T169-S171 PolarHBondContact OG1-OG 3.33Å; T169-S171 VanDerWaalsContact OG1-OG 3.07Å; T169-T172 PolarHBondContact O-N 3.37Å; T169-T172 WeakPolarHBondContact OG1-CB 3.43Å; T169-T172 PolarHBondContact OG1-N 3.2Å; T169-T172 PolarHBondContact OG1-OG1 3.47Å; T169-A173 VanDerWaalsContact O-CB 3.23Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.46Å
170S95.3Very high96.1Very high20 Ų2050.5 Ų50.514%0.1424%0.237CC..Hα-helixtrans-63.7-47.6178.9-156.70000113.8T88 Y90 T172 A173 D174T88-S170 PolarHBondContact O-N 3.14Å; T88-S170 WeakPolarHBondContact OG1-CB 3.39Å; Y90-S170 PolarHBondContact OH-OG 3.09Å; S170-T172 VanDerWaalsContact C-N 3.3Å; S170-T172 PolarHBondContact O-N 2.89Å; S170-A173 WeakPolarHBondContact O-CB 3.35Å; S170-A173 PolarHBondContact O-N 3.33Å; S170-A173 VanDerWaalsContact O-N 3.09Å; S170-D174 WeakPolarHBondContact O-CB 3.49Å; S170-D174 VanDerWaalsContact O-CG 3.22Å; S170-D174 PolarHBondContact O-N 2.84Å; S170-D174 VanDerWaalsContact O-OD2 3.09Å; S170-D174 PolarHBondContact OG-OD2 3.28Å; S170-D174 VanDerWaalsContact OG-OD2 3.13Å
171S93.7Very high96.2Very high57 Ų5752.9 Ų52.940%0.39925%0.252SS..Hα-helixtrans-50.6-48175.7510000113D87 T169 T175D87-S171 PolarHBondContact OD2-OG 3.15Å; T169-S171 PolarHBondContact OG1-OG 3.33Å; T169-S171 VanDerWaalsContact OG1-OG 3.07Å; S171-T175 PolarHBondContact O-N 3.25Å; S171-T175 PolarHBondContact O-OG1 3.01Å
172T94.8Very high96.3Very high55 Ų5561.3 Ų61.334%0.33728%0.283SS..Hα-helixtrans-68.9-42.2177.8-51.10000111.8I121 L168 T169 S170 T175 F176I121-T172 HydrophobicContact CD1-CG2 4.16Å; I121-T172 HydrophobicContact CG1-CG2 4.39Å; L168-T172 HydrophobicContact CD2-CG2 4.06Å; T169-T172 PolarHBondContact O-N 3.37Å; T169-T172 WeakPolarHBondContact OG1-CB 3.43Å; T169-T172 PolarHBondContact OG1-N 3.2Å; T169-T172 PolarHBondContact OG1-OG1 3.47Å; S170-T172 VanDerWaalsContact C-N 3.3Å; S170-T172 PolarHBondContact O-N 2.89Å; T172-T175 PolarHBondContact O-N 3.35Å; T172-F176 WeakPolarHBondContact O-CB 3.49Å; T172-F176 PolarHBondContact O-N 3.48Å
173A96.9Very high96.3Very high0 Ų060.6 Ų60.60%029%0.286CS..Hα-helixtrans-62.7-43.2179.600000112.3Y90 I93 L168 T169 S170 F176 L177Y90-A173 HydrophobicContact CD2-CB 4Å; Y90-A173 HydrophobicContact CE2-CB 3.99Å; I93-A173 HydrophobicContact CD1-CB 3.32Å; L168-A173 HydrophobicContact CB-CB 4.37Å; L168-A173 HydrophobicContact CD1-CB 4.19Å; T169-A173 VanDerWaalsContact O-CB 3.23Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.46Å; S170-A173 WeakPolarHBondContact O-CB 3.35Å; S170-A173 PolarHBondContact O-N 3.33Å; S170-A173 VanDerWaalsContact O-N 3.09Å; A173-F176 PolarHBondContact O-N 3.44Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.47Å; A173-L177 PolarHBondContact O-N 3.41Å
174D95.5Very high96.4Very high70 Ų7063 Ų6337%0.37430%0.299SS..Hα-helixtrans-68.1-40.6-178.3-63.1-32.7000110.5S170 F176 L177 E178 K194S170-D174 WeakPolarHBondContact O-CB 3.49Å; S170-D174 VanDerWaalsContact O-CG 3.22Å; S170-D174 PolarHBondContact O-N 2.84Å; S170-D174 VanDerWaalsContact O-OD2 3.09Å; S170-D174 PolarHBondContact OG-OD2 3.28Å; S170-D174 VanDerWaalsContact OG-OD2 3.13Å; D174-F176 PolarHBondContact O-N 2.79Å; D174-L177 PolarHBondContact O-N 2.79Å; D174-E178 WeakPolarHBondContact O-CB 3.39Å; D174-E178 PolarHBondContact O-N 2.72Å; D174-K194 IonicContact OD1-NZ 2.72Å; D174-K194 PolarHBondContact OD1-NZ 2.76Å
175T96Very high96.4Very high81 Ų8160.7 Ų60.750%0.49730%0.295SS..Hα-helixtrans-60.4-43.2172.6-51.90000112S171 T172 Y179S171-T175 PolarHBondContact O-N 3.25Å; S171-T175 PolarHBondContact O-OG1 3.01Å; T172-T175 PolarHBondContact O-N 3.35Å; T175-Y179 PolarHBondContact O-N 2.94Å
176F97.6Very high96.4Very high2 Ų269.6 Ų69.61%0.00934%0.336CS..Hα-helixtrans-67.7-45.9179.1175.9-117.2000112.2V112 A115 A116 L119 I121 V165 T172 A173 D174 Y179 I180V112-F176 HydrophobicContact CG1-CZ 3.97Å; A115-F176 HydrophobicContact CB-CE2 4.22Å; A116-F176 HydrophobicContact CB-CE2 4Å; A116-F176 HydrophobicContact CB-CZ 4.05Å; L119-F176 HydrophobicContact CD1-CB 4.16Å; L119-F176 HydrophobicContact CD1-CD2 3.8Å; L119-F176 HydrophobicContact CD1-CG 4.43Å; I121-F176 HydrophobicContact CD1-CB 3.95Å; I121-F176 HydrophobicContact CD1-CD1 4.41Å; I121-F176 HydrophobicContact CD1-CD2 3.87Å; I121-F176 HydrophobicContact CD1-CE2 4.42Å; I121-F176 HydrophobicContact CD1-CG 3.83Å; V165-F176 HydrophobicContact CG2-CE1 3.91Å; V165-F176 HydrophobicContact CG2-CZ 4.35Å; T172-F176 WeakPolarHBondContact O-CB 3.49Å; T172-F176 PolarHBondContact O-N 3.48Å; A173-F176 PolarHBondContact O-N 3.44Å; D174-F176 PolarHBondContact O-N 2.79Å; F176-Y179 PolarHBondContact O-N 3.37Å; F176-I180 HydrophobicContact CD1-CD1 3.87Å; F176-I180 HydrophobicContact CD2-CD1 4.25Å; F176-I180 HydrophobicContact CE1-CD1 3.39Å; F176-I180 HydrophobicContact CE2-CD1 3.84Å; F176-I180 HydrophobicContact CE2-CG1 4.37Å; F176-I180 HydrophobicContact CG-CD1 4.3Å; F176-I180 HydrophobicContact CZ-CD1 3.41Å; F176-I180 VanDerWaalsContact CZ-CD1 3.41Å; F176-I180 HydrophobicContact CZ-CG1 4.39Å; F176-I180 WeakPolarHBondContact O-CG1 3.24Å; F176-I180 PolarHBondContact O-N 2.92Å; F176-I180 VanDerWaalsContact O-N 3.15Å
177L97.2Very high96.4Very high8 Ų871.1 Ų71.14%0.04236%0.359CS..Hα-helixtrans-66.6-38.6179.2-71.1173.5000111.6I93 V95 A173 D174 Y179 I180 E181 V192I93-L177 HydrophobicContact CG2-CD2 4.49Å; V95-L177 HydrophobicContact CG2-CD2 4.08Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.47Å; A173-L177 PolarHBondContact O-N 3.41Å; D174-L177 PolarHBondContact O-N 2.79Å; L177-Y179 VanDerWaalsContact C-N 3.3Å; L177-Y179 PolarHBondContact O-N 2.9Å; L177-I180 PolarHBondContact O-N 2.93Å; L177-E181 WeakPolarHBondContact O-CB 3.19Å; L177-E181 VanDerWaalsContact O-CG 3.31Å; L177-E181 WeakPolarHBondContact O-CG 3.19Å; L177-E181 PolarHBondContact O-N 2.81Å; L177-V192 HydrophobicContact CD1-CG1 3.89Å; L177-V192 HydrophobicContact CD2-CG1 3.88Å; L177-V192 HydrophobicContact CD2-CG2 3.9Å
178E97.2Very high96.4Very high89 Ų8961.3 Ų61.342%0.41632%0.323SS..Hα-helixtrans-55.6-45.8173.4176177-161.900111.3D174 I180 E181 R182D174-E178 WeakPolarHBondContact O-CB 3.39Å; D174-E178 PolarHBondContact O-N 2.72Å; E178-I180 PolarHBondContact O-N 2.78Å; E178-E181 PolarHBondContact O-N 3.36Å; E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 WeakPolarHBondContact O-CD 3.03Å; E178-R182 WeakPolarHBondContact O-CG 3.44Å; E178-R182 PolarHBondContact O-N 2.92Å; E178-R182 IonicContact OE1-CZ 3.56Å; E178-R182 IonicContact OE1-NE 3.61Å; E178-R182 PolarHBondContact OE1-NE 3.34Å; E178-R182 IonicContact OE1-NH2 2.6Å; E178-R182 PolarHBondContact OE1-NH2 2.82Å
179Y97.9Very high96.5Very high113 Ų11363.5 Ų63.544%0.44334%0.343SS..Hα-helixtrans-65.6-38.7178.5-173.4-114.3000112.7F111 A115 T175 F176 L177 N183F111-Y179 HydrophobicContact CE1-CE1 4.3Å; F111-Y179 AromaticContact CE2-CE1 3.66Å; F111-Y179 HydrophobicContact CE2-CE1 3.66Å; F111-Y179 AromaticContact CE2-CZ 3.88Å; F111-Y179 AromaticContact CZ-CD1 3.95Å; F111-Y179 HydrophobicContact CZ-CD1 3.95Å; F111-Y179 AromaticContact CZ-CE1 3.33Å; F111-Y179 HydrophobicContact CZ-CE1 3.33Å; F111-Y179 AromaticContact CZ-CZ 3.77Å; A115-Y179 HydrophobicContact CB-CD1 3.92Å; A115-Y179 HydrophobicContact CB-CE1 3.9Å; T175-Y179 PolarHBondContact O-N 2.94Å; F176-Y179 PolarHBondContact O-N 3.37Å; L177-Y179 VanDerWaalsContact C-N 3.3Å; L177-Y179 PolarHBondContact O-N 2.9Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.24Å; Y179-N183 PolarHBondContact O-N 3.04Å; Y179-N183 PolarHBondContact O-ND2 3.26Å
180I97.4Very high96.6Very high4 Ų463.6 Ų63.62%0.02135%0.348CS..Hα-helixtrans-65.4-52.2175.7-68.8174.4000110.3Y108 V112 F176 L177 E178 R182 N183 L184Y108-I180 WeakPolarHBondContact OH-CG2 3.34Å; Y108-I180 PolarHBondContact OH-O 2.91Å; V112-I180 HydrophobicContact CG1-CD1 3.8Å; V112-I180 HydrophobicContact CG1-CG1 4.43Å; V112-I180 HydrophobicContact CG2-CD1 4.4Å; V112-I180 HydrophobicContact CG2-CG1 4.32Å; F176-I180 HydrophobicContact CD1-CD1 3.87Å; F176-I180 HydrophobicContact CD2-CD1 4.25Å; F176-I180 HydrophobicContact CE1-CD1 3.39Å; F176-I180 HydrophobicContact CE2-CD1 3.84Å; F176-I180 HydrophobicContact CE2-CG1 4.37Å; F176-I180 HydrophobicContact CG-CD1 4.3Å; F176-I180 HydrophobicContact CZ-CD1 3.41Å; F176-I180 VanDerWaalsContact CZ-CD1 3.41Å; F176-I180 HydrophobicContact CZ-CG1 4.39Å; F176-I180 WeakPolarHBondContact O-CG1 3.24Å; F176-I180 PolarHBondContact O-N 2.92Å; F176-I180 VanDerWaalsContact O-N 3.15Å; L177-I180 PolarHBondContact O-N 2.93Å; E178-I180 PolarHBondContact O-N 2.78Å; I180-R182 VanDerWaalsContact C-N 3.3Å; I180-R182 PolarHBondContact O-N 2.84Å; I180-N183 CarbonylContact O-C 3.59Å; I180-N183 PolarHBondContact O-N 2.96Å; I180-L184 PolarHBondContact O-N 3.05Å
181E96.9Very high96.6Very high117 Ų11769.5 Ų69.555%0.54737%0.368SS..Hα-helixtrans-64.3-35.8-174.7-71.4174.5-178.500112L177 E178 N183L177-E181 WeakPolarHBondContact O-CB 3.19Å; L177-E181 VanDerWaalsContact O-CG 3.31Å; L177-E181 WeakPolarHBondContact O-CG 3.19Å; L177-E181 PolarHBondContact O-N 2.81Å; E178-E181 PolarHBondContact O-N 3.36Å; E181-N183 VanDerWaalsContact C-N 3.27Å; E181-N183 PolarHBondContact O-N 2.82Å
182R97.2Very high96.8Very high187 Ų18769 Ų6971%0.70636%0.362SS*.Hα-helixtrans-64.8-26.7174.1-74.2173.4178.5-139.12.6113.8E178 I180E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 WeakPolarHBondContact O-CD 3.03Å; E178-R182 WeakPolarHBondContact O-CG 3.44Å; E178-R182 PolarHBondContact O-N 2.92Å; E178-R182 IonicContact OE1-CZ 3.56Å; E178-R182 IonicContact OE1-NE 3.61Å; E178-R182 PolarHBondContact OE1-NE 3.34Å; E178-R182 IonicContact OE1-NH2 2.6Å; E178-R182 PolarHBondContact OE1-NH2 2.82Å; I180-R182 VanDerWaalsContact C-N 3.3Å; I180-R182 PolarHBondContact O-N 2.84Å
183N96.9Very high97Very high75 Ų7568.9 Ų68.940%0.40136%0.358SS..THydrogen-bonded Turntrans-110.619.4-176-67.2-75.3000112.9Y108 F111 Y179 I180 E181 P185Y108-N183 WeakPolarHBondContact CE2-O 3.5Å; F111-N183 HydrophobicContact CE1-CB 3.85Å; F111-N183 HydrophobicContact CZ-CB 3.59Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.24Å; Y179-N183 PolarHBondContact O-N 3.04Å; Y179-N183 PolarHBondContact O-ND2 3.26Å; I180-N183 CarbonylContact O-C 3.59Å; I180-N183 PolarHBondContact O-N 2.96Å; E181-N183 VanDerWaalsContact C-N 3.27Å; E181-N183 PolarHBondContact O-N 2.82Å; N183-P185 WeakPolarHBondContact O-CD 3.15Å
184L97.4Very high97Very high53 Ų5372.9 Ų72.928%0.27738%0.376SS..PPolyproline II helixtrans-66.9126.9-178.7-168.866.3000110.8Y108 I180 V188 A190Y108-L184 HydrophobicContact CE1-CD1 3.76Å; I180-L184 PolarHBondContact O-N 3.05Å; L184-V188 HydrophobicContact CD1-CB 4.42Å; L184-V188 HydrophobicContact CD1-CG1 4.08Å; L184-V188 WeakPolarHBondContact CD2-O 3.47Å; L184-A190 HydrophobicContact CD1-CB 3.85Å; L184-A190 HydrophobicContact CD2-CB 3.9Å
185P98Very high97Very high35 Ų3573.8 Ų73.823%0.22738%0.378CS..PPolyproline II helixtrans-67.9151-178.8-20.432.2000112.9V104 Y108 N183 G187 V188V104-P185 HydrophobicContact CG1-CB 3.61Å; V104-P185 HydrophobicContact CG1-CG 3.95Å; Y108-P185 HydrophobicContact CD1-CG 4.47Å; Y108-P185 HydrophobicContact CD2-CG 3.62Å; Y108-P185 HydrophobicContact CE2-CG 4.13Å; Y108-P185 HydrophobicContact CG-CG 3.84Å; N183-P185 WeakPolarHBondContact O-CD 3.15Å; P185-G187 PolarHBondContact O-N 2.94Å; P185-V188 HydrophobicContact CB-CG2 3.98Å; P185-V188 HydrophobicContact CG-CG2 4.36Å; P185-V188 WeakPolarHBondContact O-CB 3.21Å; P185-V188 PolarHBondContact O-N 2.8Å; P185-V188 VanDerWaalsContact O-N 3.1Å
186E94.7Very high97Very high187 Ų18775.6 Ų75.687%0.87438%0.381SS*.THydrogen-bonded Turntrans-58.9135.1176.2-63.3-59.8163.300112.2V188E186-V188 PolarHBondContact O-N 3.01Å
187G95.7Very high96.8Very high64 Ų6480.6 Ų80.666%0.6641%0.407SS*.THydrogen-bonded Turntrans739.3-17800000114.9P185P185-G187 PolarHBondContact O-N 2.94Å
188V97.6Very high96.4Very high17 Ų1784.2 Ų84.210%0.10344%0.437CS..  trans-102.5128169.2-1790000109.5M97 K98 V104 L105 L184 P185 E186M97-V188 HydrophobicContact CB-CG1 4.24Å; K98-V188 CarbonylContact O-C 3.57Å; K98-V188 WeakPolarHBondContact O-CA 3.36Å; K98-V188 WeakPolarHBondContact O-CG1 3.18Å; V104-V188 HydrophobicContact CG1-CG2 4Å; L105-V188 HydrophobicContact CD2-CG1 3.9Å; L105-V188 HydrophobicContact CD2-CG2 4.27Å; L184-V188 HydrophobicContact CD1-CB 4.42Å; L184-V188 HydrophobicContact CD1-CG1 4.08Å; L184-V188 WeakPolarHBondContact CD2-O 3.47Å; P185-V188 HydrophobicContact CB-CG2 3.98Å; P185-V188 HydrophobicContact CG-CG2 4.36Å; P185-V188 WeakPolarHBondContact O-CB 3.21Å; P185-V188 PolarHBondContact O-N 2.8Å; P185-V188 VanDerWaalsContact O-N 3.1Å; E186-V188 PolarHBondContact O-N 3.01Å
189A97.1Very high95.9Very high59 Ų5984.7 Ų84.749%0.48845%0.451SS..EExtended strand (participates in β ladder)trans-97.6128.8171.900000109.9M97 K98M97-A189 CarbonylContact C-O 3.44Å; M97-A189 WeakPolarHBondContact CA-O 3.16Å; K98-A189 PolarHBondContact N-O 2.93Å; K98-A189 PolarHBondContact O-N 2.91Å
190A96.9Very high95.3Very high43 Ų4382.5 Ų82.536%0.35545%0.449SS..EExtended strand (participates in β ladder)trans-106.2144.2173.500000111.1E96 L184E96-A190 CarbonylContact O-C 3.56Å; E96-A190 WeakPolarHBondContact O-CA 3.34Å; L184-A190 HydrophobicContact CD1-CB 3.85Å; L184-A190 HydrophobicContact CD2-CB 3.9Å
191R97.3Very high94.9Very high144 Ų14486.9 Ų86.954%0.54348%0.476SS..EExtended strand (participates in β ladder)trans-131.9126.9171.5179.1-171.4-175-166.65.9108.3E96 I193E96-R191 HydrophobicContact CB-CB 4.35Å; E96-R191 PolarHBondContact N-O 2.82Å; E96-R191 PolarHBondContact O-N 3.13Å; E96-R191 IonicContact OE2-NH1 2.95Å; R191-I193 HydrophobicContact CG-CG1 4.45Å
192V97.8Very high94.3Very high45 Ų4587.4 Ų87.427%0.27348%0.482SS..EExtended strand (participates in β ladder)trans-103.9131.4177.6-174.30000109.2I93 L177 K194I93-V192 HydrophobicContact CG2-CG1 3.68Å; L177-V192 HydrophobicContact CD1-CG1 3.89Å; L177-V192 HydrophobicContact CD2-CG1 3.88Å; L177-V192 HydrophobicContact CD2-CG2 3.9Å; V192-K194 HydrophobicContact CG1-CG 4.17Å
193I97.5Very high93.7Very high53 Ų5384.9 Ų84.927%0.27248%0.478SS..EExtended strand (participates in β ladder)trans-119.4107.9175.6-55.6171.5000107.2I93 T94 E96 R191I93-I193 WeakPolarHBondContact CA-O 3.33Å; T94-I193 PolarHBondContact N-O 3.39Å; T94-I193 PolarHBondContact O-N 2.95Å; E96-I193 HydrophobicContact CG-CD1 4.22Å; R191-I193 HydrophobicContact CG-CG1 4.45Å
194K96.9Very high93.2Very high85 Ų8584.7 Ų84.737%0.3748%0.476SS..EExtended strand (participates in β ladder)trans-89.9131.9177.1-61.5-177.9171.9-166.90109.3Y90 D174 V192Y90-K194 HydrophobicContact CD1-CB 3.99Å; Y90-K194 HydrophobicContact CE1-CB 3.7Å; Y90-K194 HydrophobicContact CE1-CD 3.92Å; Y90-K194 HydrophobicContact CE1-CG 4.2Å; D174-K194 IonicContact OD1-NZ 2.72Å; D174-K194 PolarHBondContact OD1-NZ 2.76Å; V192-K194 HydrophobicContact CG1-CG 4.17Å
195Q96.6Very high92.5Very high88 Ų8885.4 Ų85.441%0.41148%0.478SS..EExtended strand (participates in β ladder)trans-117.5107.1172.3-63.5-171.1-6.100109.4Y90 K91 C92Y90-Q195 CarbonylContact C-O 3.51Å; Y90-Q195 VanDerWaalsContact CA-O 3.3Å; Y90-Q195 WeakPolarHBondContact CA-O 3.33Å; K91-Q195 PolarHBondContact N-O 2.81Å; C92-Q195 WeakPolarHBondContact O-CB 3.22Å; C92-Q195 PolarHBondContact O-N 2.78Å; C92-Q195 PolarHBondContact SG-OE1 2.99Å
196E95.2Very high91.9Very high120 Ų12088.2 Ų88.256%0.56149%0.491SS*.EExtended strand (participates in β ladder)trans-83.1150.1-178.6-69.2169.7-156.900112.1Y90 A198Y90-E196 HydrophobicContact CD1-CB 4.37Å; Y90-E196 HydrophobicContact CD1-CG 3.43Å; Y90-E196 VanDerWaalsContact CD1-CG 3.43Å; Y90-E196 HydrophobicContact CE1-CG 3.24Å; E196-A198 PolarHBondContact O-N 2.82Å
197I93.8Very high91.4Very high107 Ų10783.2 Ų83.255%0.54947%0.469SS..  trans-88.9102.2168.6-57.8174.6000106.8L89 K91L89-I197 HydrophobicContact CB-CB 4.35Å; L89-I197 HydrophobicContact CB-CD1 4.06Å; L89-I197 HydrophobicContact CB-CG1 4.47Å; L89-I197 PolarHBondContact O-N 2.96Å; K91-I197 HydrophobicContact CB-CD1 4.4Å; K91-I197 HydrophobicContact CB-CG1 3.84Å
198A89.1Confident90.6Very high83 Ų8386 Ų8669%0.68646%0.463SS*.PPolyproline II helixtrans-101.2141.8174.100000110.6E196E196-A198 PolarHBondContact O-N 2.82Å
199S86.2Confident89.8Confident100 Ų10089.2 Ų89.270%0.69948%0.48SS*.PPolyproline II helixtrans-64.6138.2164.91770000109.1Q205S199-Q205 PolarHBondContact OG-NE2 2.82Å
200V86.5Confident88.6Confident67 Ų6790.8 Ų90.841%0.40648%0.484SS..PPolyproline II helixtrans-58.9138.2171.1178.80000108.9I204 Q205V200-I204 HydrophobicContact CG1-CB 3.35Å; V200-I204 HydrophobicContact CG1-CG2 3.24Å; V200-Q205 HydrophobicContact CB-CG 3.93Å; V200-Q205 HydrophobicContact CG1-CG 3.93Å; V200-Q205 WeakPolarHBondContact O-CG 3.35Å; V200-Q205 PolarHBondContact O-NE2 2.89Å
201T87.6Confident87Confident95 Ų9595.7 Ų95.758%0.58350%0.497SS*.PPolyproline II helixtrans-61.3147.1176.8-48.10000111H203 I204 Q205T201-H203 VanDerWaalsContact C-N 3.28Å; T201-H203 PolarHBondContact O-N 3.5Å; T201-H203 VanDerWaalsContact O-N 3.14Å; T201-I204 WeakPolarHBondContact O-CA 3.4Å; T201-I204 PolarHBondContact O-N 3.21Å; T201-Q205 PolarHBondContact O-N 3.47Å
202L84.8Confident85.4Confident128 Ų12895.6 Ų95.667%0.6751%0.507SS*.Hα-helixtrans-45-49.1-178.7-60.9178.4000113.2I204 Q205 D206L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 PolarHBondContact O-N 3.4Å; L202-Q205 WeakPolarHBondContact O-CA 3.43Å; L202-Q205 WeakPolarHBondContact O-CB 3.49Å; L202-Q205 PolarHBondContact O-N 3.02Å; L202-D206 PolarHBondContact O-N 3.35Å
203H84.6Confident83.4Confident134 Ų134103.8 Ų103.862%0.6253%0.533SS*.Hα-helixtrans-59.8-36.2179.9-174.960000113.5T201 I207T201-H203 VanDerWaalsContact C-N 3.28Å; T201-H203 PolarHBondContact O-N 3.5Å; T201-H203 VanDerWaalsContact O-N 3.14Å; H203-I207 WeakPolarHBondContact O-CG1 3.37Å; H203-I207 PolarHBondContact O-N 2.8Å
204I85.4Confident81.4Confident72 Ų72104.8 Ų104.837%0.36955%0.545SS..Hα-helixtrans-77-36.2177.6-58.4170.6000109.8V200 T201 L202 D206 I207 F208V200-I204 HydrophobicContact CG1-CB 3.35Å; V200-I204 HydrophobicContact CG1-CG2 3.24Å; T201-I204 WeakPolarHBondContact O-CA 3.4Å; T201-I204 PolarHBondContact O-N 3.21Å; L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 PolarHBondContact O-N 3.4Å; I204-D206 VanDerWaalsContact C-N 3.29Å; I204-D206 PolarHBondContact O-N 2.92Å; I204-I207 PolarHBondContact O-N 2.86Å; I204-F208 HydrophobicContact CG2-CD2 3.69Å; I204-F208 HydrophobicContact CG2-CE2 3.4Å; I204-F208 VanDerWaalsContact CG2-CE2 3.4Å; I204-F208 WeakPolarHBondContact O-CD2 3.06Å; I204-F208 PolarHBondContact O-N 3.5Å; I204-F208 VanDerWaalsContact O-N 3.09Å
205Q84.2Confident78.8Confident68 Ų68106.1 Ų106.132%0.31857%0.565SS.*Hα-helixtrans-58.7-42173.2-62.8-1781.400111.3S199 V200 T201 L202 I207 F208 N209S199-Q205 PolarHBondContact OG-NE2 2.82Å; V200-Q205 HydrophobicContact CB-CG 3.93Å; V200-Q205 HydrophobicContact CG1-CG 3.93Å; V200-Q205 WeakPolarHBondContact O-CG 3.35Å; V200-Q205 PolarHBondContact O-NE2 2.89Å; T201-Q205 PolarHBondContact O-N 3.47Å; L202-Q205 WeakPolarHBondContact O-CA 3.43Å; L202-Q205 WeakPolarHBondContact O-CB 3.49Å; L202-Q205 PolarHBondContact O-N 3.02Å; Q205-I207 PolarHBondContact O-N 3.25Å; Q205-F208 PolarHBondContact O-N 3.33Å; Q205-N209 WeakPolarHBondContact O-CB 3.33Å; Q205-N209 VanDerWaalsContact O-CG 3.22Å; Q205-N209 PolarHBondContact O-N 3.43Å; Q205-N209 PolarHBondContact O-ND2 3.14Å
206D83.7Confident76.5Confident93 Ų93107.8 Ų107.850%0.49758%0.583SS.*Hα-helixtrans-60.6-44.9176-66.8-28.9000111.8L202 I204 F208 N209 V210L202-D206 PolarHBondContact O-N 3.35Å; I204-D206 VanDerWaalsContact C-N 3.29Å; I204-D206 PolarHBondContact O-N 2.92Å; D206-F208 VanDerWaalsContact C-N 3.3Å; D206-F208 PolarHBondContact O-N 3.05Å; D206-N209 PolarHBondContact O-N 3.48Å; D206-V210 VanDerWaalsContact O-CG2 3.27Å; D206-V210 WeakPolarHBondContact O-CG2 3.28Å; D206-V210 PolarHBondContact O-N 3.44Å
207I84.9Confident74.2Confident82 Ų82108.9 Ų108.942%0.42159%0.592SS.*Hα-helixtrans-58.2-42.9176.5-67.1166.9000111.2H203 I204 Q205 K211H203-I207 WeakPolarHBondContact O-CG1 3.37Å; H203-I207 PolarHBondContact O-N 2.8Å; I204-I207 PolarHBondContact O-N 2.86Å; Q205-I207 PolarHBondContact O-N 3.25Å; I207-K211 PolarHBondContact O-N 3.16Å
208F79.3Confident72.1Confident122 Ų122113.4 Ų113.454%0.53561%0.611SS.*Hα-helixtrans-70.5-38.4177.5-76.9-67.6000112.4I204 Q205 D206 K211 N212I204-F208 HydrophobicContact CG2-CD2 3.69Å; I204-F208 HydrophobicContact CG2-CE2 3.4Å; I204-F208 VanDerWaalsContact CG2-CE2 3.4Å; I204-F208 WeakPolarHBondContact O-CD2 3.06Å; I204-F208 PolarHBondContact O-N 3.5Å; I204-F208 VanDerWaalsContact O-N 3.09Å; Q205-F208 PolarHBondContact O-N 3.33Å; D206-F208 VanDerWaalsContact C-N 3.3Å; D206-F208 PolarHBondContact O-N 3.05Å; F208-K211 PolarHBondContact O-N 3.49Å; F208-N212 PolarHBondContact O-ND2 2.89Å
209N81.4Confident70Confident86 Ų86116.3 Ų116.346%0.4661%0.611SS.*Hα-helixtrans-66.8-36.5177.7-74.9-21.7000112.6Q205 D206 N212Q205-N209 WeakPolarHBondContact O-CB 3.33Å; Q205-N209 VanDerWaalsContact O-CG 3.22Å; Q205-N209 PolarHBondContact O-N 3.43Å; Q205-N209 PolarHBondContact O-ND2 3.14Å; D206-N209 PolarHBondContact O-N 3.48Å; N209-N212 PolarHBondContact O-N 3.44Å
210V72Confident68.2Low92 Ų92115.1 Ų115.156%0.55861%0.614SS**Hα-helixtrans-65.4-41.1177.5170.40000111.6D206 N212 R213 S214D206-V210 VanDerWaalsContact O-CG2 3.27Å; D206-V210 WeakPolarHBondContact O-CG2 3.28Å; D206-V210 PolarHBondContact O-N 3.44Å; V210-N212 VanDerWaalsContact C-N 3.27Å; V210-N212 PolarHBondContact O-N 2.9Å; V210-R213 WeakPolarHBondContact O-CB 3.48Å; V210-R213 PolarHBondContact O-N 2.74Å; V210-S214 PolarHBondContact O-N 3.27Å
211K62.5Low66.5Low146 Ų146121.7 Ų121.764%0.63564%0.637SS**Hα-helixtrans-62.1-33.2177.8-80.4-175.7176.6-179.30113.2I207 F208 R213 S214I207-K211 PolarHBondContact O-N 3.16Å; F208-K211 PolarHBondContact O-N 3.49Å; K211-R213 PolarHBondContact O-N 3.19Å; K211-S214 PolarHBondContact O-N 3.36Å; K211-S214 PolarHBondContact O-OG 3.37Å
212N63.7Low64.8Low141 Ų141128.9 Ų128.975%0.75467%0.67SS**THydrogen-bonded Turntrans-70-11.8175.2-65-25.6000113.1F208 N209 V210F208-N212 PolarHBondContact O-ND2 2.89Å; N209-N212 PolarHBondContact O-N 3.44Å; V210-N212 VanDerWaalsContact C-N 3.27Å; V210-N212 PolarHBondContact O-N 2.9Å
213R56.3Low63.8Low217 Ų217128.9 Ų128.982%0.81967%0.67SS**THydrogen-bonded Turntrans-97.3-17.8176.8-62.8-176.6-171.5178.63.1113.9V210 K211V210-R213 WeakPolarHBondContact O-CB 3.48Å; V210-R213 PolarHBondContact O-N 2.74Å; K211-R213 PolarHBondContact O-N 3.19Å
214S54Low62.7Low74 Ų74128.6 Ų128.652%0.51767%0.673SS.*SBendtrans-95.6110.1-175.6540000112V210 K211V210-S214 PolarHBondContact O-N 3.27Å; K211-S214 PolarHBondContact O-N 3.36Å; K211-S214 PolarHBondContact O-OG 3.37Å
215S43.7Very low61.4Low114 Ų114131.8 Ų131.880%0.79769%0.69SS**  trans81.5109.8179.170.10000114.9
216P47.9Very low60.1Low122 Ų122135.5 Ų135.579%0.79271%0.712SS**  -146.9111.462.230.9-8.2000115.4
217L46.1Very low58.6Low144 Ų144138.2 Ų138.275%0.75473%0.725SS**  trans-155.771.7156.5-75.3-175.9000109.1E219L217-E219 HydrophobicContact CB-CG 4.38Å; L217-E219 HydrophobicContact CD2-CG 4.06Å
218E50.2Low56.9Low201 Ų201141.9 Ų141.994%0.93975%0.745SS**  trans-90.885.1143.7-75.7-107148.600104.5G220E218-G220 PolarHBondContact O-N 3.46Å
219E45.9Very low55.3Low145 Ų145143.4 Ų143.468%0.67876%0.76SS**  trans-54.2125.7167.9-68.5176.2164.400108.1L217 K221L217-E219 HydrophobicContact CB-CG 4.38Å; L217-E219 HydrophobicContact CD2-CG 4.06Å; E219-K221 PolarHBondContact O-N 3.38Å
220G48.1Very low53.3Low74 Ų74147.8 Ų147.876%0.76378%0.783SS**  trans-56.1105.1165.200000109.2E218 L222E218-G220 PolarHBondContact O-N 3.46Å; G220-L222 PolarHBondContact O-N 2.74Å
221K51Low51.7Low205 Ų205152.4 Ų152.489%0.89180%0.802SS**  trans-74.4110.1154.1-86.1-178.4177.2179.60107.2E219E219-K221 PolarHBondContact O-N 3.38Å
222L50.9Low50.7Low246 Ų246153 Ų153100%1.28882%0.818SS**  trans-48.90163.4-66.6163.9000111.7G220G220-L222 PolarHBondContact O-N 2.74Å

Retrieved 222 of 222 residues in 447.4 ms (Link to these results)