G4VM15_SCHMA Loading...

Putative eukaryotic translation initiation factor 4b/4h

AlphaFold DB , UniProt , Accession G4VM15, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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
1M51.4Low64.9Low252 Ų252178.3 Ų178.3100%1.24187%0.871SS**  093.40-62.7-177.4-173.400109
2G61.4Low65.5Low74 Ų74177.2 Ų177.276%0.76386%0.863SS**  trans-110.4101.2-179.400000110.6K4G2-K4 PolarHBondContact O-N 3.15Å; G2-K4 VanDerWaalsContact O-N 3.15Å
3K70.9Confident66.2Low213 Ų213171.2 Ų171.293%0.92685%0.85SS**  trans-70106.9174.7-68.8-176.7178.7175.20108.5S5K3-S5 PolarHBondContact O-N 2.8Å
4K68.1Low66.6Low211 Ų211166.8 Ų166.892%0.91784%0.837SS**  trans-71.1107173.7-69.4-173.4179.1177.90108.9G2 K6G2-K4 PolarHBondContact O-N 3.15Å; G2-K4 VanDerWaalsContact O-N 3.15Å; K4-K6 PolarHBondContact O-N 3.17Å
5S65.2Low66.8Low106 Ų106165.1 Ų165.174%0.74183%0.831SS**  trans-74117.1175.8-169.50000110K3 K7K3-S5 PolarHBondContact O-N 2.8Å; S5-K7 PolarHBondContact O-N 3.03Å
6K68.1Low67Low208 Ų208161.4 Ų161.490%0.90482%0.82SS**  trans-78.995.2178.6-142.1175.5-172.5177.90107.7K4 N8K4-K6 PolarHBondContact O-N 3.17Å; K6-N8 PolarHBondContact O-N 3.4Å; K6-N8 VanDerWaalsContact O-N 3.1Å
7K69.2Low66.9Low177 Ų177160.4 Ų160.477%0.7782%0.817SS**  trans-69.1104.5176.1-66.8-179.4-178.3178.40108.9S5 R9S5-K7 PolarHBondContact O-N 3.03Å; K7-R9 PolarHBondContact O-N 3.06Å
8N63.6Low66.4Low158 Ų158158.5 Ų158.585%0.84581%0.807SS**  trans-71.6107.2175.2-151.519.6000108.3K6K6-N8 PolarHBondContact O-N 3.4Å; K6-N8 VanDerWaalsContact O-N 3.1Å
9R64.8Low66.4Low230 Ų230156.2 Ų156.287%0.86880%0.801SS**  trans-103.931.9-172.4-84.5-164.1-87.7176.1-7113.4K7K7-R9 PolarHBondContact O-N 3.06Å
10F65.6Low66Low173 Ų173158.5 Ų158.576%0.75980%0.801SS**  trans-11558.4-175-152.9-93.7000112.6
11N65.4Low65.6Low159 Ų159154.8 Ų154.885%0.8579%0.79SS**  trans-12454.7165-66.4-16.7000108.3S13N11-S13 PolarHBondContact O-N 3.11Å; N11-S13 VanDerWaalsContact O-N 3.13Å
12Q72.4Confident65.7Low165 Ų165148 Ų14877%0.77177%0.767SS**  trans-79.492.7172.2-166.3169.69.100107V14Q12-V14 PolarHBondContact O-N 2.87Å
13S74Confident65.5Low99 Ų99150.6 Ų150.669%0.69276%0.763SS**  trans-68.2119.9168.650.60000107.9N11N11-S13 PolarHBondContact O-N 3.11Å; N11-S13 VanDerWaalsContact O-N 3.13Å
14V71.9Confident64.6Low110 Ų110146.5 Ų146.567%0.66776%0.756SS**  trans-100.3111.1171.5-177.20000106.2Q12 V16Q12-V14 PolarHBondContact O-N 2.87Å; V14-V16 HydrophobicContact CG1-CG2 4.06Å; V14-V16 PolarHBondContact O-N 3.02Å
15D70.3Confident63.7Low141 Ų141143.6 Ų143.675%0.75475%0.749SS**  trans-71.5114.2170.7-61.3-53.1000107.8
16V70.1Confident63Low107 Ų107142.3 Ų142.365%0.64875%0.745SS**  trans-107.8100.4177-178.70000107.6V14 I18V14-V16 HydrophobicContact CG1-CG2 4.06Å; V14-V16 PolarHBondContact O-N 3.02Å; V16-I18 HydrophobicContact CG1-CG1 4.33Å; V16-I18 PolarHBondContact O-N 3.05Å; V16-I18 VanDerWaalsContact O-N 3.1Å
17D65.4Low62.2Low143 Ų143141.2 Ų141.277%0.76574%0.743SS**  trans-71.9100.6172.5-69.5-33.2000109.3V19D17-V19 HydrophobicContact CB-CG2 4.38Å; D17-V19 PolarHBondContact O-N 2.98Å
18I57.6Low61.2Low127 Ų127140.7 Ų140.765%0.65175%0.746SS**  trans-77.880.1171.9-53.7173.8000107.3V16 Y20V16-I18 HydrophobicContact CG1-CG1 4.33Å; V16-I18 PolarHBondContact O-N 3.05Å; V16-I18 VanDerWaalsContact O-N 3.1Å; I18-Y20 HydrophobicContact CG2-CD2 4.21Å; I18-Y20 HydrophobicContact CG2-CE2 3.96Å; I18-Y20 PolarHBondContact O-N 3.23Å; I18-Y20 VanDerWaalsContact O-N 3.17Å
19V66Low60.8Low114 Ų114139.1 Ų139.169%0.69174%0.737SS**  trans-72.3107.7168.8-175.50000106.9D17 S21D17-V19 HydrophobicContact CB-CG2 4.38Å; D17-V19 PolarHBondContact O-N 2.98Å; V19-S21 PolarHBondContact O-N 3.13Å
20Y58.9Low60.3Low203 Ų203134.4 Ų134.480%0.79674%0.736SS**  trans-67.873.2165.8-76.4-91.9000108.7I18 S22I18-Y20 HydrophobicContact CG2-CD2 4.21Å; I18-Y20 HydrophobicContact CG2-CE2 3.96Å; I18-Y20 PolarHBondContact O-N 3.23Å; I18-Y20 VanDerWaalsContact O-N 3.17Å; Y20-S22 VanDerWaalsContact C-N 3.34Å; Y20-S22 PolarHBondContact O-N 2.87Å
21S56.8Low59.8Low81 Ų81131.5 Ų131.557%0.56673%0.733SS**  trans-70.1102.2160.3480000106.1V19 N23V19-S21 PolarHBondContact O-N 3.13Å; S21-N23 PolarHBondContact O-N 2.75Å
22S53.1Low59.1Low108 Ų108129.8 Ų129.876%0.75572%0.724SS**  trans-61.174.8163.1-53.60000108.2Y20 T24Y20-S22 VanDerWaalsContact C-N 3.34Å; Y20-S22 PolarHBondContact O-N 2.87Å; S22-T24 PolarHBondContact O-N 2.88Å
23N57.6Low58.1Low130 Ų130129 Ų12970%0.69573%0.725SS**  trans-67.993.5156.5-77.32.9000104.2S21 I25S21-N23 PolarHBondContact O-N 2.75Å; N23-I25 PolarHBondContact O-N 2.97Å
24T53.2Low57Low127 Ų127132.6 Ų132.678%0.77974%0.735SS**  trans-49.4101.7152.547.90000104.8S22 A26S22-T24 PolarHBondContact O-N 2.88Å; T24-A26 PolarHBondContact O-N 2.95Å
25I48.9Very low56Low150 Ų150131.6 Ų131.677%0.76974%0.738SS**  trans-64.590165.5-63.9165.5000102.4N23 E27N23-I25 PolarHBondContact O-N 2.97Å; I25-E27 PolarHBondContact O-N 3.29Å; I25-E27 VanDerWaalsContact O-N 3.15Å
26A49.8Very low55.2Low79 Ų79132.9 Ų132.965%0.65374%0.74SS**  trans-46.7124.6163.200000104.5T24 M28T24-A26 PolarHBondContact O-N 2.95Å; A26-M28 PolarHBondContact O-N 3.17Å
27E51.2Low54.5Low184 Ų184134.4 Ų134.486%0.8674%0.744SS**  trans-41.587.5180-60174.9169.700108.6I25 D29I25-E27 PolarHBondContact O-N 3.29Å; I25-E27 VanDerWaalsContact O-N 3.15Å; E27-D29 PolarHBondContact O-N 2.96Å
28M48.9Very low54.3Low167 Ų167134.9 Ų134.982%0.82375%0.746SS**  trans-90.195.5-179.3-143.6160.671.400102A26 P30A26-M28 PolarHBondContact O-N 3.17Å; M28-P30 VanDerWaalsContact O-N 3.14Å
29D54.6Low54.5Low125 Ų125132.3 Ų132.367%0.66873%0.734SS**  trans-40.1120.4-178.6-70.7-56.4000109E27 T31E27-D29 PolarHBondContact O-N 2.96Å; D29-T31 PolarHBondContact O-N 2.81Å
30P54.3Low54.8Low131 Ų131129.9 Ų129.985%0.85172%0.722SS**THydrogen-bonded Turntrans-75.628.6-169.932.1-36.9000112.3M28 D32M28-P30 VanDerWaalsContact O-N 3.14Å; P30-D32 VanDerWaalsContact C-N 3.34Å
31T56.3Low55.6Low112 Ų112124.4 Ų124.469%0.68771%0.713SS**THydrogen-bonded Turntrans-81.4-16.6-176.954.70000112.9D29D29-T31 PolarHBondContact O-N 2.81Å
32D49.9Very low56.8Low122 Ų122127 Ų12765%0.65272%0.716SS**SBendtrans-116.7116.4-167.2-58.9-2.4000109.5P30P30-D32 VanDerWaalsContact C-N 3.34Å
33N50.4Low58.1Low150 Ų150126.9 Ų126.980%0.80270%0.702SS**  trans96.353169.8-41.2-57.3000117.7
34L51.8Low59Low174 Ų174122.8 Ų122.891%0.91169%0.686SS**  trans-124.678.5133.6-72.3179.1000107.5E36L34-E36 PolarHBondContact O-N 3.42Å; L34-E36 VanDerWaalsContact O-N 3.1Å
35A50.5Low60.3Low88 Ų88122.8 Ų122.873%0.72768%0.677SS**  trans-37.1118.9163.700000108.7L37A35-L37 VanDerWaalsContact C-N 3.3Å; A35-L37 PolarHBondContact O-N 2.72Å
36E54.4Low62.1Low169 Ų169121.7 Ų121.779%0.7967%0.669SS**  trans-38.292171.5-62.8160.5176.200109.5L34 N38L34-E36 PolarHBondContact O-N 3.42Å; L34-E36 VanDerWaalsContact O-N 3.1Å; E36-N38 VanDerWaalsContact C-N 3.28Å; E36-N38 PolarHBondContact O-N 2.81Å
37L56Low63.6Low138 Ų138121.8 Ų121.872%0.72366%0.658SS**  trans-64.8107.6154.3-68.2177.8000102.8A35 L39A35-L37 VanDerWaalsContact C-N 3.3Å; A35-L37 PolarHBondContact O-N 2.72Å; L37-L39 HydrophobicContact CB-CD1 3.8Å; L37-L39 HydrophobicContact CB-CG 3.78Å; L37-L39 HydrophobicContact CD1-CD1 4.33Å; L37-L39 PolarHBondContact O-N 2.96Å
38N60.9Low65.1Low154 Ų154119.3 Ų119.382%0.82465%0.646SS**  trans-60.657.2171.6-69.6-42.6000110.3E36E36-N38 VanDerWaalsContact C-N 3.28Å; E36-N38 PolarHBondContact O-N 2.81Å
39L61.3Low67Low73 Ų73117.9 Ų117.938%0.38264%0.636SS.*  trans-75.1125.6169.4-62.4164.7000103.9L37 S41 K43L37-L39 HydrophobicContact CB-CD1 3.8Å; L37-L39 HydrophobicContact CB-CG 3.78Å; L37-L39 HydrophobicContact CD1-CD1 4.33Å; L37-L39 PolarHBondContact O-N 2.96Å; L39-S41 PolarHBondContact O-N 2.95Å; L39-K43 HydrophobicContact CB-CB 4.3Å; L39-K43 HydrophobicContact CB-CD 4.32Å; L39-K43 HydrophobicContact CB-CG 4.45Å; L39-K43 HydrophobicContact CD2-CD 3.92Å; L39-K43 HydrophobicContact CG-CD 4.47Å
40S72.7Confident68.5Low63 Ų63116.9 Ų116.944%0.44163%0.629SS.*  trans-32136.7171.7171.30000110.8E42 K43 A44S40-E42 PolarHBondContact O-N 3.24Å; S40-E42 PolarHBondContact OG-N 3.2Å; S40-K43 PolarHBondContact O-N 2.83Å; S40-A44 PolarHBondContact O-N 3.27Å
41S75.2Confident70Confident87 Ų87119.6 Ų119.661%0.60862%0.623SS**Hα-helixtrans-45.1-34.5177.151.50000112L39 K43 A44 E45L39-S41 PolarHBondContact O-N 2.95Å; S41-K43 PolarHBondContact O-N 2.88Å; S41-A44 PolarHBondContact O-N 2.73Å; S41-E45 WeakPolarHBondContact O-CG 3.4Å; S41-E45 PolarHBondContact O-N 2.85Å; S41-E45 VanDerWaalsContact O-N 3.09Å
42E81.5Confident71.1Confident136 Ų136118.4 Ų118.464%0.63662%0.624SS**Hα-helixtrans-58.2-45.1175.9-58.5175.4160.700113.1S40 A44 E45 E46S40-E42 PolarHBondContact O-N 3.24Å; S40-E42 PolarHBondContact OG-N 3.2Å; E42-A44 VanDerWaalsContact C-N 3.35Å; E42-A44 PolarHBondContact O-N 2.74Å; E42-E45 WeakPolarHBondContact O-CB 3.42Å; E42-E45 PolarHBondContact O-N 2.86Å; E42-E46 WeakPolarHBondContact O-CG 3.37Å; E42-E46 PolarHBondContact O-N 2.86Å
43K80.3Confident72.7Confident105 Ų105120.2 Ų120.246%0.45763%0.627SS.*Hα-helixtrans-71.8-31.8-178.6-174.9163.9172.5-177.90111.9L39 S40 S41 E46 L47L39-K43 HydrophobicContact CB-CB 4.3Å; L39-K43 HydrophobicContact CB-CD 4.32Å; L39-K43 HydrophobicContact CB-CG 4.45Å; L39-K43 HydrophobicContact CD2-CD 3.92Å; L39-K43 HydrophobicContact CG-CD 4.47Å; S40-K43 PolarHBondContact O-N 2.83Å; S41-K43 PolarHBondContact O-N 2.88Å; K43-E46 PolarHBondContact O-N 2.77Å; K43-L47 WeakPolarHBondContact O-CG 3.3Å; K43-L47 PolarHBondContact O-N 2.81Å
44A76.7Confident74.1Confident45 Ų45118.4 Ų118.437%0.37262%0.616SS.*Hα-helixtrans-65.2-41.6172.800000111.1S40 S41 E42 L47 Q48S40-A44 PolarHBondContact O-N 3.27Å; S41-A44 PolarHBondContact O-N 2.73Å; E42-A44 VanDerWaalsContact C-N 3.35Å; E42-A44 PolarHBondContact O-N 2.74Å; A44-L47 PolarHBondContact O-N 2.93Å; A44-Q48 WeakPolarHBondContact O-CG 3.24Å; A44-Q48 PolarHBondContact O-N 3.24Å
45E81.6Confident75.6Confident126 Ų126113.9 Ų113.959%0.58960%0.597SS**Hα-helixtrans-65.1-40.3174.3-69.7176.8-169.400112.4S41 E42 L47 Q48 K49S41-E45 WeakPolarHBondContact O-CG 3.4Å; S41-E45 PolarHBondContact O-N 2.85Å; S41-E45 VanDerWaalsContact O-N 3.09Å; E42-E45 WeakPolarHBondContact O-CB 3.42Å; E42-E45 PolarHBondContact O-N 2.86Å; E45-L47 PolarHBondContact O-N 2.6Å; E45-Q48 PolarHBondContact O-N 2.66Å; E45-K49 WeakPolarHBondContact O-CB 3.47Å; E45-K49 PolarHBondContact O-N 2.92Å
46E86.3Confident76.5Confident127 Ų127115.3 Ų115.359%0.59360%0.597SS**Hα-helixtrans-60.3-43.9174.2-76-173.9158.800112E42 K43 Q48 K49 I50E42-E46 WeakPolarHBondContact O-CG 3.37Å; E42-E46 PolarHBondContact O-N 2.86Å; K43-E46 PolarHBondContact O-N 2.77Å; E46-Q48 PolarHBondContact O-N 2.64Å; E46-K49 WeakPolarHBondContact O-CB 3.45Å; E46-K49 PolarHBondContact O-N 3.34Å; E46-I50 VanDerWaalsContact O-CG1 3.3Å; E46-I50 WeakPolarHBondContact O-CG1 3.31Å; E46-I50 PolarHBondContact O-N 3.15Å
47L81Confident76.7Confident82 Ų82115.8 Ų115.843%0.42960%0.597SS.*Hα-helixtrans-63.4-40.9176.1-73174.5000111.9K43 A44 E45 K49 I50 R51K43-L47 WeakPolarHBondContact O-CG 3.3Å; K43-L47 PolarHBondContact O-N 2.81Å; A44-L47 PolarHBondContact O-N 2.93Å; E45-L47 PolarHBondContact O-N 2.6Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.11Å; L47-I50 PolarHBondContact O-N 2.97Å; L47-R51 WeakPolarHBondContact O-CG 3.22Å; L47-R51 PolarHBondContact O-N 3.19Å
48Q82.7Confident76.8Confident131 Ų131113.1 Ų113.161%0.61259%0.586SS**Hα-helixtrans-61.6-41.4173.4-71.9-179.89.200111.2A44 E45 E46 I50 R51 A52A44-Q48 WeakPolarHBondContact O-CG 3.24Å; A44-Q48 PolarHBondContact O-N 3.24Å; E45-Q48 PolarHBondContact O-N 2.66Å; E46-Q48 PolarHBondContact O-N 2.64Å; Q48-I50 PolarHBondContact O-N 3.13Å; Q48-R51 PolarHBondContact O-N 3.43Å; Q48-A52 WeakPolarHBondContact O-CB 3.4Å; Q48-A52 PolarHBondContact O-N 3.15Å
49K88.9Confident76.6Confident138 Ų138110.3 Ų110.360%0.658%0.579SS**Hα-helixtrans-67.2-35.4178.3-163151.3-166.2170.80112.8E45 E46 L47 K53E45-K49 WeakPolarHBondContact O-CB 3.47Å; E45-K49 PolarHBondContact O-N 2.92Å; E46-K49 WeakPolarHBondContact O-CB 3.45Å; E46-K49 PolarHBondContact O-N 3.34Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.11Å; K49-K53 WeakPolarHBondContact O-CG 3.14Å; K49-K53 PolarHBondContact O-N 2.71Å
50I85.8Confident76.2Confident104 Ų104111.2 Ų111.253%0.53359%0.588SS.*Hα-helixtrans-67.1-46.2173.2-67.7164.1000110.1E46 L47 Q48 A52 K53 L54E46-I50 VanDerWaalsContact O-CG1 3.3Å; E46-I50 WeakPolarHBondContact O-CG1 3.31Å; E46-I50 PolarHBondContact O-N 3.15Å; L47-I50 PolarHBondContact O-N 2.97Å; Q48-I50 PolarHBondContact O-N 3.13Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-A52 PolarHBondContact O-N 2.74Å; I50-K53 CarbonylContact O-C 3.59Å; I50-K53 PolarHBondContact O-N 3.42Å; I50-K53 VanDerWaalsContact O-N 3.14Å; I50-L54 PolarHBondContact O-N 3.13Å
51R85.4Confident75.3Confident187 Ų187111.6 Ų111.671%0.70659%0.59SS**Hα-helixtrans-59-43.4177.2-75.2174.4175.2-179.3-1.1112.1L47 Q48 K53 L54L47-R51 WeakPolarHBondContact O-CG 3.22Å; L47-R51 PolarHBondContact O-N 3.19Å; Q48-R51 PolarHBondContact O-N 3.43Å; R51-K53 VanDerWaalsContact C-N 3.28Å; R51-K53 PolarHBondContact O-N 3.49Å; R51-L54 VanDerWaalsContact O-CB 3.32Å; R51-L54 WeakPolarHBondContact O-CB 3.38Å; R51-L54 PolarHBondContact O-N 2.84Å; R51-L54 VanDerWaalsContact O-N 3.11Å
52A79.7Confident74.2Confident88 Ų88111.5 Ų111.573%0.72759%0.589SS**Hα-helixtrans-66.3-28.9177.700000113.4Q48 I50 L54Q48-A52 WeakPolarHBondContact O-CB 3.4Å; Q48-A52 PolarHBondContact O-N 3.15Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-A52 PolarHBondContact O-N 2.74Å; A52-L54 VanDerWaalsContact C-N 3.34Å
53K84.1Confident72.9Confident160 Ų160108.5 Ų108.570%0.69658%0.58SS**Hα-helixtrans-84.1-10.3174.3-72177.2-179.7-177.50113.1K49 I50 R51K49-K53 WeakPolarHBondContact O-CG 3.14Å; K49-K53 PolarHBondContact O-N 2.71Å; I50-K53 CarbonylContact O-C 3.59Å; I50-K53 PolarHBondContact O-N 3.42Å; I50-K53 VanDerWaalsContact O-N 3.14Å; R51-K53 VanDerWaalsContact C-N 3.28Å; R51-K53 PolarHBondContact O-N 3.49Å
54L80.3Confident71.7Confident111 Ų111110 Ų11058%0.58159%0.589SS**SBendtrans-76.3132-179.7-153.870.8000108.6I50 R51 A52 T56I50-L54 PolarHBondContact O-N 3.13Å; R51-L54 VanDerWaalsContact O-CB 3.32Å; R51-L54 WeakPolarHBondContact O-CB 3.38Å; R51-L54 PolarHBondContact O-N 2.84Å; R51-L54 VanDerWaalsContact O-N 3.11Å; A52-L54 VanDerWaalsContact C-N 3.34Å; L54-T56 PolarHBondContact O-N 3.32Å
55P82.6Confident70.5Confident79 Ų79111.2 Ų111.251%0.51360%0.595SS.*  trans-58.1111.1169.224.5-32.8000107.5F57P55-F57 HydrophobicContact CB-CD2 4.27Å; P55-F57 HydrophobicContact CB-CE2 3.96Å; P55-F57 HydrophobicContact CB-CZ 4.29Å; P55-F57 HydrophobicContact CG-CD2 4.17Å; P55-F57 HydrophobicContact CG-CE2 3.57Å; P55-F57 HydrophobicContact CG-CZ 4.11Å; P55-F57 WeakPolarHBondContact O-CD2 3.42Å; P55-F57 PolarHBondContact O-N 3.21Å
56T69.3Low69.2Low119 Ų119108.9 Ų108.973%0.7358%0.584SS**  trans-69.292.7168.2-57.40000105L54 T58L54-T56 PolarHBondContact O-N 3.32Å; T56-T58 HydrophobicContact CG2-CG2 4.21Å; T56-T58 PolarHBondContact O-N 2.8Å
57F58.3Low67.6Low178 Ų178107.6 Ų107.678%0.78158%0.58SS**  trans-66.390.7168.7-72.7-80.3000106P55 S59P55-F57 HydrophobicContact CB-CD2 4.27Å; P55-F57 HydrophobicContact CB-CE2 3.96Å; P55-F57 HydrophobicContact CB-CZ 4.29Å; P55-F57 HydrophobicContact CG-CD2 4.17Å; P55-F57 HydrophobicContact CG-CE2 3.57Å; P55-F57 HydrophobicContact CG-CZ 4.11Å; P55-F57 WeakPolarHBondContact O-CD2 3.42Å; P55-F57 PolarHBondContact O-N 3.21Å; F57-S59 PolarHBondContact O-N 2.64Å
58T58.5Low66.3Low82 Ų82107.8 Ų107.850%0.50359%0.594SS.*  trans-62.995.6165.349.40000105.7T56 T60 S61T56-T58 HydrophobicContact CG2-CG2 4.21Å; T56-T58 PolarHBondContact O-N 2.8Å; T58-T60 PolarHBondContact O-N 2.64Å; T58-S61 PolarHBondContact O-N 2.62Å
59S56Low65.2Low96 Ų96109 Ų10967%0.67160%0.597SS**Hα-helixtrans-60.71.3176.341.80000112.6F57 V63F57-S59 PolarHBondContact O-N 2.64Å; S59-V63 WeakPolarHBondContact O-CG2 3.39Å
60T53.4Low63.7Low92 Ų92103.1 Ų103.156%0.56457%0.572SS**Hα-helixtrans-85.6-35.6-179.548.50000113.8T58 S62 V63 E64T58-T60 PolarHBondContact O-N 2.64Å; T60-S62 PolarHBondContact O-N 3.02Å; T60-V63 WeakPolarHBondContact O-CB 3.44Å; T60-V63 PolarHBondContact O-N 2.92Å; T60-E64 PolarHBondContact O-N 3.08Å
61S53.8Low62.5Low70 Ų70101.8 Ų101.849%0.4957%0.57SS.*Hα-helixtrans-71.8-34.8-174.659.80000113.3T58 V63 E64 S65T58-S61 PolarHBondContact O-N 2.62Å; S61-V63 VanDerWaalsContact C-N 3.33Å; S61-E64 PolarHBondContact O-N 3.07Å; S61-S65 PolarHBondContact O-N 2.94Å; S61-S65 VanDerWaalsContact O-N 3.14Å
62S51.1Low61.4Low85 Ų8598.5 Ų98.559%0.59457%0.571SS**Hα-helixtrans-66.9-37.8173.7-135.90000111T60 E64 S65 E66T60-S62 PolarHBondContact O-N 3.02Å; S62-E64 VanDerWaalsContact C-N 3.35Å; S62-E64 PolarHBondContact O-N 3.38Å; S62-S65 PolarHBondContact O-N 3.23Å; S62-S65 PolarHBondContact O-OG 3.32Å; S62-E66 PolarHBondContact O-N 3.24Å
63V55.8Low60.9Low73 Ų73102.2 Ų102.244%0.44257%0.573SS.*Hα-helixtrans-65.2-37.7175.8179.50000111.2S59 T60 S61 S65 E66 L67S59-V63 WeakPolarHBondContact O-CG2 3.39Å; T60-V63 WeakPolarHBondContact O-CB 3.44Å; T60-V63 PolarHBondContact O-N 2.92Å; S61-V63 VanDerWaalsContact C-N 3.33Å; V63-S65 VanDerWaalsContact C-N 3.35Å; V63-E66 WeakPolarHBondContact O-CB 3.19Å; V63-E66 PolarHBondContact O-N 3.06Å; V63-L67 HydrophobicContact CG1-CD1 4.28Å; V63-L67 PolarHBondContact O-N 3.07Å
64E54.2Low60.3Low137 Ų137102 Ų10264%0.6457%0.572SS**Hα-helixtrans-64.9-38174.6-99.2171.5153.200112.5T60 S61 S62 E66 L67 A68T60-E64 PolarHBondContact O-N 3.08Å; S61-E64 PolarHBondContact O-N 3.07Å; S62-E64 VanDerWaalsContact C-N 3.35Å; S62-E64 PolarHBondContact O-N 3.38Å; E64-E66 VanDerWaalsContact C-N 3.33Å; E64-L67 PolarHBondContact O-N 3.1Å; E64-A68 WeakPolarHBondContact O-CB 3.28Å; E64-A68 PolarHBondContact O-N 3.33Å
65S50.9Low60Low71 Ų71100.8 Ų100.850%0.49757%0.571SS.*Hα-helixtrans-69-31.3174.677.80000112.8S61 S62 V63 A68S61-S65 PolarHBondContact O-N 2.94Å; S61-S65 VanDerWaalsContact O-N 3.14Å; S62-S65 PolarHBondContact O-N 3.23Å; S62-S65 PolarHBondContact O-OG 3.32Å; V63-S65 VanDerWaalsContact C-N 3.35Å; S65-A68 PolarHBondContact O-N 3.36Å
66E54.3Low60.1Low76 Ų7697.7 Ų97.736%0.35555%0.549SS..Hα-helixtrans-65.6-42.4168.2-88.3-151.9128.400111.6S62 V63 E64 A68S62-E66 PolarHBondContact O-N 3.24Å; V63-E66 WeakPolarHBondContact O-CB 3.19Å; V63-E66 PolarHBondContact O-N 3.06Å; E64-E66 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 2.78Å
67L53.7Low61Low100 Ų10093.5 Ų93.552%0.52452%0.52SS..Hα-helixtrans-65.7-28.3175.6-110.9122.7000112.1V63 E64 K69 R124V63-L67 HydrophobicContact CG1-CD1 4.28Å; V63-L67 PolarHBondContact O-N 3.07Å; E64-L67 PolarHBondContact O-N 3.1Å; L67-K69 PolarHBondContact O-N 3.18Å; L67-R124 PolarHBondContact O-NH2 2.95Å
68A54.3Low62.5Low86 Ų8685 Ų8571%0.71148%0.483SS*.THydrogen-bonded Turntrans-79.7-12.1-17200000115.2E64 S65 E66E64-A68 WeakPolarHBondContact O-CB 3.28Å; E64-A68 PolarHBondContact O-N 3.33Å; S65-A68 PolarHBondContact O-N 3.36Å; E66-A68 PolarHBondContact O-N 2.78Å
69K58.3Low64.1Low158 Ų15883.7 Ų83.769%0.68747%0.471SS*.THydrogen-bonded Turntrans-98.85.2-173.1-119.6139.2-165.5-172.80116.7L67L67-K69 PolarHBondContact O-N 3.18Å
70L57.6Low65.8Low13 Ų1379.2 Ų79.27%0.06844%0.439CS..  trans-123.6110.8-165.4-58167000110V72 R124 L127 A128L70-V72 PolarHBondContact O-N 2.95Å; L70-R124 HydrophobicContact CB-CG 3.63Å; L70-R124 HydrophobicContact CD1-CG 3.44Å; L70-R124 VanDerWaalsContact CD1-CG 3.44Å; L70-R124 HydrophobicContact CG-CG 4.04Å; L70-R124 PolarHBondContact O-NE 2.96Å; L70-R124 PolarHBondContact O-NH2 3.46Å; L70-L127 HydrophobicContact CD2-CB 4.29Å; L70-L127 HydrophobicContact CD2-CD2 3.3Å; L70-L127 HydrophobicContact CD2-CG 4.36Å; L70-A128 HydrophobicContact CD1-CB 3.63Å; L70-A128 HydrophobicContact CD2-CB 3.92Å; L70-A128 HydrophobicContact CG-CB 4.26Å
71P61Low67.5Low77 Ų7781.3 Ų81.350%0.544%0.438SS..  trans-47.2137161.4-19.529.7000108.5E73 F76P71-E73 VanDerWaalsContact C-N 3.32Å; P71-F76 VanDerWaalsContact O-CE1 3.28Å; P71-F76 WeakPolarHBondContact O-CE1 3.36Å
72V63.1Low69.3Low118 Ų11880.4 Ų80.472%0.71543%0.428SS*.SBendtrans-79.4-21.1-175.91790000111.5L70L70-V72 PolarHBondContact O-N 2.95Å
73E68.1Low71.1Confident166 Ų16676.8 Ų76.878%0.77640%0.402SS*.SBendtrans-91.5139.2-174.9-64-177.4179.900112.9P71P71-E73 VanDerWaalsContact C-N 3.32Å
74K71.4Confident72.6Confident155 Ų15573.5 Ų73.567%0.67438%0.382SS*.SBendtrans-65.7145.8166.8-66.3178.7179.9-1770108.8F76K74-F76 HydrophobicContact CG-CD2 3.92Å; K74-F76 HydrophobicContact CG-CE2 3.59Å; K74-F76 HydrophobicContact CG-CZ 4.35Å
75P73.7Confident74.3Confident85 Ų8574.3 Ų74.355%0.55238%0.381SS*.PPolyproline II helixcis-93.413015.932.5-33000114.8R77P75-R77 VanDerWaalsContact C-N 3.25Å; P75-R77 PolarHBondContact O-N 2.81Å
76F86Confident75.9Confident14 Ų1475 Ų756%0.06139%0.386CS..EExtended strand (participates in β ladder)trans-79.671.9171.9-57.5-66.2000110.7P71 K74 F121 R124 L127P71-F76 VanDerWaalsContact O-CE1 3.28Å; P71-F76 WeakPolarHBondContact O-CE1 3.36Å; K74-F76 HydrophobicContact CG-CD2 3.92Å; K74-F76 HydrophobicContact CG-CE2 3.59Å; K74-F76 HydrophobicContact CG-CZ 4.35Å; F76-F121 HydrophobicContact CB-CB 4.04Å; F76-F121 PolarHBondContact O-N 3.2Å; F76-R124 HydrophobicContact CE1-CB 3.95Å; F76-R124 HydrophobicContact CE1-CG 4.2Å; F76-R124 HydrophobicContact CE2-CB 4.33Å; F76-R124 HydrophobicContact CZ-CB 3.77Å; F76-R124 HydrophobicContact CZ-CG 4.4Å; F76-L127 HydrophobicContact CB-CB 4.31Å; F76-L127 HydrophobicContact CB-CD1 3.81Å; F76-L127 HydrophobicContact CD1-CD1 4.21Å
77R88.6Confident77.4Confident31 Ų3171.9 Ų71.912%0.11737%0.372CS..EExtended strand (participates in β ladder)trans-93.3125.5180-170.2168.977.5151.53.2111.1P75 F118 V119 D120 A148 A149 P150 N151P75-R77 VanDerWaalsContact C-N 3.25Å; P75-R77 PolarHBondContact O-N 2.81Å; R77-F118 HydrophobicContact CG-CB 4.39Å; R77-F118 HydrophobicContact CG-CD1 4.4Å; R77-V119 CarbonylContact C-O 3.55Å; R77-V119 WeakPolarHBondContact CA-O 3.45Å; R77-D120 WeakPolarHBondContact CB-OD1 3.05Å; R77-D120 VanDerWaalsContact CD-OD1 3.25Å; R77-D120 WeakPolarHBondContact CD-OD1 3.18Å; R77-D120 WeakPolarHBondContact CG-OD1 3.39Å; R77-A148 HydrophobicContact CB-CB 3.86Å; R77-A148 HydrophobicContact CG-CB 3.57Å; R77-A148 WeakPolarHBondContact O-CB 3.42Å; R77-A148 PolarHBondContact O-N 2.94Å; R77-A149 VanDerWaalsContact CZ-O 3.29Å; R77-A149 PolarHBondContact NE-O 3.29Å; R77-A149 PolarHBondContact NH2-O 2.96Å; R77-P150 PolarHBondContact NH2-O 2.86Å; R77-N151 PolarHBondContact NE-OD1 3.05Å; R77-N151 PolarHBondContact NH1-OD1 3.26Å
78A89.5Confident79Confident1 Ų170.3 Ų70.31%0.00837%0.367CS..EExtended strand (participates in β ladder)trans-98.7140.2169.500000110.9F118 V119 F121 V145 R146A78-F118 WeakPolarHBondContact O-CA 3.43Å; A78-V119 PolarHBondContact N-O 3.14Å; A78-V119 PolarHBondContact O-N 3.03Å; A78-F121 HydrophobicContact CB-CD2 4.21Å; A78-F121 HydrophobicContact CB-CE2 3.62Å; A78-V145 HydrophobicContact CB-CG1 3.95Å; A78-R146 CarbonylContact C-O 3.55Å; A78-R146 WeakPolarHBondContact CA-O 3.4Å
79F91.9Very high80.5Confident54 Ų5471.9 Ų71.924%0.23736%0.36CS..EExtended strand (participates in β ladder)trans-104.1122.6170.9178.1-117.9000108.9Y81 F116 F118 R146 A148F79-Y81 HydrophobicContact CE1-CD2 4.27Å; F79-Y81 HydrophobicContact CZ-CD2 4.12Å; F79-F116 HydrophobicContact CE2-CB 3.73Å; F79-F116 AromaticContact CE2-CD2 3.72Å; F79-F116 HydrophobicContact CE2-CD2 3.72Å; F79-F116 AromaticContact CE2-CG 3.98Å; F79-F116 HydrophobicContact CE2-CG 3.98Å; F79-F116 HydrophobicContact CZ-CB 3.9Å; F79-F116 HydrophobicContact CZ-CD2 4.36Å; F79-F116 HydrophobicContact CZ-CG 4.24Å; F79-F118 HydrophobicContact CB-CD1 4.29Å; F79-F118 HydrophobicContact CB-CE1 4.19Å; F79-F118 AromaticContact CD2-CD1 3.73Å; F79-F118 HydrophobicContact CD2-CD1 3.73Å; F79-F118 AromaticContact CD2-CE1 3.27Å; F79-F118 HydrophobicContact CD2-CE1 3.27Å; F79-F118 HydrophobicContact CD2-CE2 4.22Å; F79-F118 HydrophobicContact CD2-CG 4.38Å; F79-F118 AromaticContact CD2-CZ 3.54Å; F79-F118 HydrophobicContact CD2-CZ 3.54Å; F79-F118 AromaticContact CE2-CE1 3.92Å; F79-F118 HydrophobicContact CE2-CE1 3.92Å; F79-F118 HydrophobicContact CE2-CE2 4.21Å; F79-F118 AromaticContact CE2-CZ 3.68Å; F79-F118 HydrophobicContact CE2-CZ 3.68Å; F79-F118 HydrophobicContact CG-CD1 4.48Å; F79-F118 HydrophobicContact CG-CE1 4.05Å; F79-R146 PolarHBondContact N-O 3.34Å; F79-R146 PolarHBondContact O-N 3.39Å; F79-A148 HydrophobicContact CB-CB 3.89Å
80V90.2Very high82Confident2 Ų271.2 Ų71.21%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-113.6123.2-175.9-175.80000108.4V83 F96 F116 C117 V119 V143 N144 V145V80-V83 HydrophobicContact CB-CG2 4.36Å; V80-V83 HydrophobicContact CG1-CG2 3.57Å; V80-F96 HydrophobicContact CG2-CE2 4.36Å; V80-F96 HydrophobicContact CG2-CZ 4.01Å; V80-F116 CarbonylContact O-C 3.48Å; V80-F116 WeakPolarHBondContact O-CA 3.18Å; V80-F116 WeakPolarHBondContact O-CB 3.46Å; V80-C117 VanDerWaalsContact CB-SG 3.5Å; V80-C117 PolarHBondContact N-O 2.74Å; V80-C117 PolarHBondContact O-N 3.39Å; V80-V119 HydrophobicContact CG2-CG2 4.21Å; V80-V143 HydrophobicContact CG1-CG1 3.03Å; V80-N144 CarbonylContact C-O 3.54Å; V80-N144 VanDerWaalsContact CA-O 3.31Å; V80-N144 WeakPolarHBondContact CA-O 3.39Å; V80-V145 HydrophobicContact CG2-CG1 4.42Å; V80-V145 HydrophobicContact CG2-CG2 4.3Å
81Y90.4Very high83.5Confident135 Ų13573.5 Ų73.553%0.52937%0.371SS..EExtended strand (participates in β ladder)trans-116159.2-177.9-169.3-98.7000112.1F79 V83 F116 N144F79-Y81 HydrophobicContact CE1-CD2 4.27Å; F79-Y81 HydrophobicContact CZ-CD2 4.12Å; Y81-V83 VanDerWaalsContact C-N 3.27Å; Y81-V83 PolarHBondContact O-N 2.82Å; Y81-F116 HydrophobicContact CD2-CB 4.19Å; Y81-N144 PolarHBondContact N-O 3.5Å; Y81-N144 PolarHBondContact O-N 3.07Å
82N91.4Very high84.7Confident52 Ų5270 Ų7028%0.27835%0.348SS..SBendtrans65.625.3-179.1-163.842.6000114.7G115 R141 Q142N82-G115 PolarHBondContact N-O 3.31Å; N82-G115 VanDerWaalsContact N-O 3.08Å; N82-R141 PolarHBondContact OD1-NH2 3.2Å; N82-Q142 WeakPolarHBondContact CB-O 3.27Å; N82-Q142 PolarHBondContact ND2-O 3.36Å
83V88.4Confident85.9Confident8 Ų866.3 Ų66.35%0.04833%0.33CS..  trans-65.2142.9173.6-174.70000109.4V80 Y81 A87 G115 V143V80-V83 HydrophobicContact CB-CG2 4.36Å; V80-V83 HydrophobicContact CG1-CG2 3.57Å; Y81-V83 VanDerWaalsContact C-N 3.27Å; Y81-V83 PolarHBondContact O-N 2.82Å; V83-A87 HydrophobicContact CG1-CB 3.23Å; V83-G115 PolarHBondContact N-O 3.15Å; V83-G115 VanDerWaalsContact O-CA 3.28Å; V83-G115 WeakPolarHBondContact O-CA 3.09Å; V83-V143 HydrophobicContact CG2-CG1 4.09Å
84A88.3Confident86.9Confident5 Ų563.3 Ų63.34%0.04132%0.32CS..  trans-59.5145.2176.600000111.8S86 A87 A139A84-S86 PolarHBondContact O-N 2.97Å; A84-A87 HydrophobicContact CB-CB 4.48Å; A84-A87 WeakPolarHBondContact O-CB 3.25Å; A84-A87 PolarHBondContact O-N 3.08Å; A84-A139 HydrophobicContact CB-CB 3.9Å
85Y88.6Confident87.6Confident154 Ų15457.4 Ų57.460%0.60429%0.294SS*.THydrogen-bonded Turntrans-62.8-28.2179.1-60.2-51.6000113.3A87 S113Y85-A87 VanDerWaalsContact C-N 3.29Å; Y85-S113 WeakPolarHBondContact CD1-O 3.37Å; Y85-S113 WeakPolarHBondContact O-CB 3.22Å; Y85-S113 PolarHBondContact O-OG 3.02Å; Y85-S113 VanDerWaalsContact O-OG 3.07Å
86S85.9Confident88.2Confident86 Ų8653.4 Ų53.460%0.60127%0.268SS*.THydrogen-bonded Turntrans-84.52.3174.761.10000113.7A84 T88A84-S86 PolarHBondContact O-N 2.97Å; S86-T88 PolarHBondContact O-N 2.93Å
87A84.6Confident88.1Confident9 Ų956.1 Ų56.17%0.07429%0.289CS..  trans-67.8126.3-179.300000110.5V83 A84 Y85V83-A87 HydrophobicContact CG1-CB 3.23Å; A84-A87 HydrophobicContact CB-CB 4.48Å; A84-A87 WeakPolarHBondContact O-CB 3.25Å; A84-A87 PolarHBondContact O-N 3.08Å; Y85-A87 VanDerWaalsContact C-N 3.29Å
88T87.4Confident88Confident67 Ų6760.3 Ų60.341%0.41132%0.32SS..  trans-96.6169.2173.355.30000110S86 Q90 N91 V92S86-T88 PolarHBondContact O-N 2.93Å; T88-Q90 PolarHBondContact O-N 2.8Å; T88-N91 PolarHBondContact O-N 3.45Å; T88-V92 PolarHBondContact O-N 3.19Å
89E86.8Confident87.8Confident120 Ų12061.3 Ų61.356%0.56133%0.325SS*.Hα-helixtrans-54.9-39173-174.7178178.200112N91 V92 A93 I104 I106E89-N91 PolarHBondContact O-N 2.78Å; E89-V92 PolarHBondContact O-N 2.85Å; E89-A93 WeakPolarHBondContact O-CB 3.1Å; E89-A93 PolarHBondContact O-N 3.49Å; E89-I104 HydrophobicContact CG-CB 4.11Å; E89-I104 HydrophobicContact CG-CD1 3.87Å; E89-I104 HydrophobicContact CG-CG2 4.28Å; E89-I106 HydrophobicContact CB-CD1 4.21Å
90Q88.2Confident87.5Confident144 Ų14466.2 Ų66.267%0.67335%0.346SS*.Hα-helixtrans-58.9-48.6176.8-65.3178-6.100111.8T88 V92 A93 D94T88-Q90 PolarHBondContact O-N 2.8Å; Q90-V92 PolarHBondContact O-N 3.21Å; Q90-A93 PolarHBondContact O-N 2.93Å; Q90-A93 VanDerWaalsContact O-N 3.08Å; Q90-D94 WeakPolarHBondContact O-CB 3.36Å; Q90-D94 PolarHBondContact O-N 3.2Å
91N89.3Confident87.2Confident60 Ų6068.2 Ų68.232%0.32136%0.358SS..Hα-helixtrans-60.9-32.8179.6-64.5-18.3000112.4T88 E89 F95T88-N91 PolarHBondContact O-N 3.45Å; E89-N91 PolarHBondContact O-N 2.78Å; N91-F95 VanDerWaalsContact O-CB 3.27Å; N91-F95 WeakPolarHBondContact O-CB 3.35Å; N91-F95 PolarHBondContact O-N 3.34Å
92V88Confident87Confident3 Ų365.8 Ų65.82%0.01836%0.357CS..Hα-helixtrans-76.1-40.9176.2-178.50000110.4T88 E89 Q90 F95 F96 I104 V119T88-V92 PolarHBondContact O-N 3.19Å; E89-V92 PolarHBondContact O-N 2.85Å; Q90-V92 PolarHBondContact O-N 3.21Å; V92-F95 WeakPolarHBondContact O-CB 3.31Å; V92-F95 PolarHBondContact O-N 3.31Å; V92-F96 HydrophobicContact CG1-CD2 3.87Å; V92-F96 HydrophobicContact CG1-CE2 3.72Å; V92-F96 WeakPolarHBondContact O-CD2 3.46Å; V92-F96 PolarHBondContact O-N 3.13Å; V92-F96 VanDerWaalsContact O-N 3.15Å; V92-I104 HydrophobicContact CB-CD1 4.49Å; V92-I104 HydrophobicContact CB-CG2 4.24Å; V92-I104 HydrophobicContact CG1-CD1 4.37Å; V92-I104 HydrophobicContact CG1-CG2 3.97Å; V92-V119 HydrophobicContact CG1-CG2 3.86Å
93A87.7Confident86.9Confident41 Ų4167.8 Ų67.834%0.33937%0.368SS..Hα-helixtrans-63.3-45.4175.800000112.1E89 Q90 F95 F96 S97 I104E89-A93 WeakPolarHBondContact O-CB 3.1Å; E89-A93 PolarHBondContact O-N 3.49Å; Q90-A93 PolarHBondContact O-N 2.93Å; Q90-A93 VanDerWaalsContact O-N 3.08Å; A93-F95 VanDerWaalsContact C-N 3.29Å; A93-F95 PolarHBondContact O-N 3.08Å; A93-F96 CarbonylContact O-C 3.58Å; A93-F96 PolarHBondContact O-N 3.21Å; A93-S97 PolarHBondContact O-N 3.13Å; A93-I104 HydrophobicContact CB-CD1 3.94Å
94D89.3Confident86.9Confident103 Ų10369 Ų6955%0.55137%0.374SS*.Hα-helixtrans-61.1-41176.9-66.4-22.7000111Q90 F96 S97Q90-D94 WeakPolarHBondContact O-CB 3.36Å; Q90-D94 PolarHBondContact O-N 3.2Å; D94-F96 VanDerWaalsContact C-N 3.32Å; D94-F96 PolarHBondContact O-N 3.35Å; D94-S97 WeakPolarHBondContact O-CB 3.49Å; D94-S97 PolarHBondContact O-N 3.24Å; D94-S97 VanDerWaalsContact O-N 3.14Å; D94-S97 PolarHBondContact O-OG 2.78Å
95F85.3Confident86.9Confident32 Ų3273 Ų7314%0.1440%0.395CS..Hα-helixtrans-61-39.9176.9175.3-113.9000112.8N91 V92 A93 R133 S136 L138 V145N91-F95 VanDerWaalsContact O-CB 3.27Å; N91-F95 WeakPolarHBondContact O-CB 3.35Å; N91-F95 PolarHBondContact O-N 3.34Å; V92-F95 WeakPolarHBondContact O-CB 3.31Å; V92-F95 PolarHBondContact O-N 3.31Å; A93-F95 VanDerWaalsContact C-N 3.29Å; A93-F95 PolarHBondContact O-N 3.08Å; F95-R133 HydrophobicContact CZ-CB 4.08Å; F95-R133 PolarHBondContact O-NH1 3.28Å; F95-S136 WeakPolarHBondContact CE2-OG 3.09Å; F95-S136 WeakPolarHBondContact CZ-OG 3.15Å; F95-L138 HydrophobicContact CB-CD1 4.39Å; F95-L138 HydrophobicContact CB-CD2 4.39Å; F95-V145 HydrophobicContact CE1-CG2 4.4Å
96F85.7Confident86.9Confident1 Ų167.9 Ų67.90%0.00438%0.378CS..Hα-helixtrans-85.5-5176.7-69.4-63.5000113.5V80 V92 A93 D94 L99 V101 V119 F121 A130 V145V80-F96 HydrophobicContact CG2-CE2 4.36Å; V80-F96 HydrophobicContact CG2-CZ 4.01Å; V92-F96 HydrophobicContact CG1-CD2 3.87Å; V92-F96 HydrophobicContact CG1-CE2 3.72Å; V92-F96 WeakPolarHBondContact O-CD2 3.46Å; V92-F96 PolarHBondContact O-N 3.13Å; V92-F96 VanDerWaalsContact O-N 3.15Å; A93-F96 CarbonylContact O-C 3.58Å; A93-F96 PolarHBondContact O-N 3.21Å; D94-F96 VanDerWaalsContact C-N 3.32Å; D94-F96 PolarHBondContact O-N 3.35Å; F96-L99 HydrophobicContact CD1-CD1 4.35Å; F96-L99 WeakPolarHBondContact O-CA 3.42Å; F96-L99 WeakPolarHBondContact O-CB 3.34Å; F96-L99 WeakPolarHBondContact O-CG 3.37Å; F96-L99 PolarHBondContact O-N 3.21Å; F96-V101 HydrophobicContact CB-CG2 3.65Å; F96-V101 HydrophobicContact CD2-CG2 4.42Å; F96-V101 HydrophobicContact CG-CG2 4.24Å; F96-V119 HydrophobicContact CD2-CG1 4.16Å; F96-V119 HydrophobicContact CD2-CG2 4.39Å; F96-V119 HydrophobicContact CE2-CB 4.31Å; F96-V119 HydrophobicContact CE2-CG1 4.16Å; F96-V119 HydrophobicContact CE2-CG2 3.78Å; F96-F121 HydrophobicContact CB-CE1 4.45Å; F96-F121 HydrophobicContact CD1-CE1 4.09Å; F96-F121 AromaticContact CD1-CZ 3.67Å; F96-F121 HydrophobicContact CD1-CZ 3.67Å; F96-F121 HydrophobicContact CD2-CZ 4.34Å; F96-F121 AromaticContact CE1-CZ 3.76Å; F96-F121 HydrophobicContact CE1-CZ 3.76Å; F96-F121 HydrophobicContact CE2-CZ 4.44Å; F96-F121 HydrophobicContact CG-CE1 4.19Å; F96-F121 AromaticContact CG-CZ 3.98Å; F96-F121 HydrophobicContact CG-CZ 3.98Å; F96-F121 HydrophobicContact CZ-CZ 4.15Å; F96-A130 HydrophobicContact CD1-CB 4.26Å; F96-A130 HydrophobicContact CE1-CB 3.74Å; F96-V145 HydrophobicContact CZ-CG2 4.36Å
97S85.2Confident86.8Confident70 Ų7065 Ų6549%0.4936%0.356SS..THydrogen-bonded Turntrans-60.2139.617576.70000111.1A93 D94 R133A93-S97 PolarHBondContact O-N 3.13Å; D94-S97 WeakPolarHBondContact O-CB 3.49Å; D94-S97 PolarHBondContact O-N 3.24Å; D94-S97 VanDerWaalsContact O-N 3.14Å; D94-S97 PolarHBondContact O-OG 2.78Å; S97-R133 PolarHBondContact O-NH1 2.87Å
98P85.9Confident86.6Confident119 Ų11967.9 Ų67.977%0.77338%0.376SS*.THydrogen-bonded Turncis-91.922.61.238.2-36.6000115.1
99L84.7Confident86.2Confident22 Ų2265.7 Ų65.712%0.11537%0.366CS..SBendtrans-71.7155.2-178.3-51.1175.4000112.2F96 V101 D126 K129F96-L99 HydrophobicContact CD1-CD1 4.35Å; F96-L99 WeakPolarHBondContact O-CA 3.42Å; F96-L99 WeakPolarHBondContact O-CB 3.34Å; F96-L99 WeakPolarHBondContact O-CG 3.37Å; F96-L99 PolarHBondContact O-N 3.21Å; L99-V101 PolarHBondContact O-N 3.36Å; L99-D126 HydrophobicContact CB-CB 4.27Å; L99-D126 WeakPolarHBondContact CB-OD1 3.32Å; L99-D126 WeakPolarHBondContact CD2-OD1 3.47Å; L99-K129 HydrophobicContact CD1-CB 3.94Å; L99-K129 HydrophobicContact CD2-CB 4.01Å; L99-K129 HydrophobicContact CD2-CD 3.51Å; L99-K129 HydrophobicContact CD2-CG 4.4Å
100K85.5Confident85.7Confident158 Ų15868.2 Ų68.269%0.68738%0.383SS*.  trans-90.591.8-177-67.5178.4-178.7175.40112.2A122 D126K100-A122 PolarHBondContact O-N 2.77Å; K100-D126 PolarHBondContact N-OD1 2.77Å; K100-D126 PolarHBondContact N-OD2 2.77Å
101V85.6Confident85.1Confident43 Ų4365.5 Ų65.526%0.26139%0.394SS..EExtended strand (participates in β ladder)trans-82132.6172.4-174.20000110.3F96 L99 I104 V119 F121F96-V101 HydrophobicContact CB-CG2 3.65Å; F96-V101 HydrophobicContact CD2-CG2 4.42Å; F96-V101 HydrophobicContact CG-CG2 4.24Å; L99-V101 PolarHBondContact O-N 3.36Å; V101-I104 HydrophobicContact CG1-CD1 4.12Å; V101-I104 HydrophobicContact CG1-CG1 3.59Å; V101-V119 HydrophobicContact CB-CG1 4.41Å; V101-V119 HydrophobicContact CG1-CG1 3.44Å; V101-V119 VanDerWaalsContact CG1-CG1 3.44Å; V101-V119 HydrophobicContact CG2-CG1 4.11Å; V101-F121 HydrophobicContact CG2-CD1 4.18Å; V101-F121 HydrophobicContact CG2-CE1 3.68Å
102T86.1Confident84.7Confident84 Ų8464.6 Ų64.652%0.51540%0.399SS..EExtended strand (participates in β ladder)trans-91-53.9176.2-54.40000111.3D120 A122T102-D120 PolarHBondContact N-O 3.43Å; T102-A122 PolarHBondContact OG1-N 3.23Å
103N88.6Confident84.4Confident95 Ų9565.8 Ų65.851%0.50841%0.407SS..EExtended strand (participates in β ladder)trans-137.6144.1-179.3-65.4-51.2000110.8D120N103-D120 HydrophobicContact CB-CB 4.13Å; N103-D120 PolarHBondContact N-O 2.66Å; N103-D120 PolarHBondContact O-N 2.98Å
104I87.7Confident84.3Confident32 Ų3270.1 Ų70.116%0.16442%0.415CS..EExtended strand (participates in β ladder)trans-120.5115173.5-56.9170.7000107.8E89 V92 A93 V101 I106 V119E89-I104 HydrophobicContact CG-CB 4.11Å; E89-I104 HydrophobicContact CG-CD1 3.87Å; E89-I104 HydrophobicContact CG-CG2 4.28Å; V92-I104 HydrophobicContact CB-CD1 4.49Å; V92-I104 HydrophobicContact CB-CG2 4.24Å; V92-I104 HydrophobicContact CG1-CD1 4.37Å; V92-I104 HydrophobicContact CG1-CG2 3.97Å; A93-I104 HydrophobicContact CB-CD1 3.94Å; V101-I104 HydrophobicContact CG1-CD1 4.12Å; V101-I104 HydrophobicContact CG1-CG1 3.59Å; I104-I106 HydrophobicContact CG2-CG1 4.12Å; I104-V119 HydrophobicContact CG2-CG2 4.5Å
105N89.4Confident84.3Confident90 Ų9065.5 Ų65.548%0.48139%0.392SS..EExtended strand (participates in β ladder)trans-109.4103.4175.8-179.2-12.2000109.6C117 F118N105-C117 CarbonylContact O-C 3.51Å; N105-C117 WeakPolarHBondContact O-CA 3.07Å; N105-F118 HydrophobicContact CB-CB 4.28Å; N105-F118 PolarHBondContact N-O 2.84Å; N105-F118 PolarHBondContact O-N 2.79Å
106I87.2Confident84.6Confident47 Ų4766 Ų6624%0.24140%0.395CS..EExtended strand (participates in β ladder)trans-87.9115.8173.4-57.6171.2000107.8E89 I104 S108 C117E89-I106 HydrophobicContact CB-CD1 4.21Å; I104-I106 HydrophobicContact CG2-CG1 4.12Å; I106-S108 PolarHBondContact O-N 2.86Å; I106-C117 HydrophobicContact CG1-CB 4.16Å
107V84.9Confident84.8Confident26 Ų2666 Ų6616%0.15840%0.395CS..EExtended strand (participates in β ladder)trans-81.695.6178.4-177.60000109.1R114 F116 F118V107-R114 HydrophobicContact CG1-CG 4.45Å; V107-R114 VanDerWaalsContact O-CB 3.31Å; V107-R114 WeakPolarHBondContact O-CB 3.4Å; V107-R114 WeakPolarHBondContact O-CG 3.39Å; V107-R114 PolarHBondContact O-N 2.76Å; V107-F116 HydrophobicContact CB-CD2 3.71Å; V107-F116 HydrophobicContact CB-CE2 3.21Å; V107-F116 HydrophobicContact CB-CZ 3.77Å; V107-F116 HydrophobicContact CG1-CD2 4.43Å; V107-F116 HydrophobicContact CG1-CE2 3.48Å; V107-F116 VanDerWaalsContact CG1-CE2 3.48Å; V107-F116 HydrophobicContact CG1-CZ 3.57Å; V107-F116 HydrophobicContact CG2-CD2 3.87Å; V107-F116 HydrophobicContact CG2-CE2 3.43Å; V107-F116 VanDerWaalsContact CG2-CE2 3.43Å; V107-F116 HydrophobicContact CG2-CZ 4.37Å; V107-F116 PolarHBondContact N-O 2.9Å; V107-F118 HydrophobicContact CG2-CD2 3.83Å; V107-F118 HydrophobicContact CG2-CE2 3.74Å
108S80.3Confident85.1Confident69 Ų6964.5 Ų64.548%0.48338%0.379SS..EExtended strand (participates in β ladder)trans-96.2121.5169.9-63.20000109.4I106 G112I106-S108 PolarHBondContact O-N 2.86Å; S108-G112 WeakPolarHBondContact CA-O 3.45Å
109G78.9Confident85.4Confident20 Ų2058.9 Ų58.921%0.20634%0.342CS..EExtended strand (participates in β ladder)trans-95.5-166.4175.200000111.4G111 G112G109-G111 PolarHBondContact O-N 3.43Å; G109-G112 PolarHBondContact N-O 2.86Å; G109-G112 PolarHBondContact O-N 2.78Å; G109-G112 VanDerWaalsContact O-N 3.15Å
110D75.4Confident85.6Confident173 Ų17359.8 Ų59.893%0.92535%0.348SS*.THydrogen-bonded Turntrans-65-8.2-174-41.7-79.7000114.3
111G77.1Confident85.8Confident87 Ų8752.7 Ų52.790%0.89732%0.317SS*.THydrogen-bonded Turntrans-12420.818000000114.2G109G109-G111 PolarHBondContact O-N 3.43Å
112G79.3Confident85.9Confident41 Ų4152.7 Ų52.742%0.42332%0.322SS..EExtended strand (participates in β ladder)trans102.1-169.2-176.300000113.7S108 G109 R114S108-G112 WeakPolarHBondContact CA-O 3.45Å; G109-G112 PolarHBondContact N-O 2.86Å; G109-G112 PolarHBondContact O-N 2.78Å; G109-G112 VanDerWaalsContact O-N 3.15Å; G112-R114 PolarHBondContact O-N 2.78Å
113S82.3Confident85.9Confident28 Ų2850.6 Ų50.620%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-57.4126.7-178.8-51.70000110.3Y85 G115Y85-S113 WeakPolarHBondContact CD1-O 3.37Å; Y85-S113 WeakPolarHBondContact O-CB 3.22Å; Y85-S113 PolarHBondContact O-OG 3.02Å; Y85-S113 VanDerWaalsContact O-OG 3.07Å; S113-G115 PolarHBondContact O-N 3.47Å; S113-G115 VanDerWaalsContact O-N 3.08Å
114R85.7Confident85.7Confident132 Ų13248.7 Ų48.750%0.49830%0.296SS..EExtended strand (participates in β ladder)trans-73.22.9177.9-65.1-170.6169.4117.6-0.2113.6V107 G112 F116V107-R114 HydrophobicContact CG1-CG 4.45Å; V107-R114 VanDerWaalsContact O-CB 3.31Å; V107-R114 WeakPolarHBondContact O-CB 3.4Å; V107-R114 WeakPolarHBondContact O-CG 3.39Å; V107-R114 PolarHBondContact O-N 2.76Å; G112-R114 PolarHBondContact O-N 2.78Å; R114-F116 VanDerWaalsContact C-N 3.3Å; R114-F116 HydrophobicContact CB-CD1 3.45Å; R114-F116 VanDerWaalsContact CB-CD1 3.45Å; R114-F116 HydrophobicContact CB-CE1 3.11Å; R114-F116 HydrophobicContact CB-CG 4.39Å; R114-F116 HydrophobicContact CB-CZ 3.82Å; R114-F116 VanDerWaalsContact CD-CE1 3.42Å; R114-F116 VanDerWaalsContact CD-CZ 3.46Å; R114-F116 HydrophobicContact CG-CE1 3.9Å; R114-F116 HydrophobicContact CG-CZ 4.25Å; R114-F116 WeakPolarHBondContact O-CD1 3.34Å
115G90Very high85.5Confident7 Ų751.4 Ų51.47%0.07231%0.311CS..EExtended strand (participates in β ladder)trans7421.1-178.400000113.6N82 V83 S113N82-G115 PolarHBondContact N-O 3.31Å; N82-G115 VanDerWaalsContact N-O 3.08Å; V83-G115 PolarHBondContact N-O 3.15Å; V83-G115 VanDerWaalsContact O-CA 3.28Å; V83-G115 WeakPolarHBondContact O-CA 3.09Å; S113-G115 PolarHBondContact O-N 3.47Å; S113-G115 VanDerWaalsContact O-N 3.08Å
116F91Very high85.5Confident43 Ų4347.7 Ų47.719%0.18929%0.291CS..EExtended strand (participates in β ladder)trans-138146.9172.461.1-97.7000111.4F79 V80 Y81 V107 R114 F118F79-F116 HydrophobicContact CE2-CB 3.73Å; F79-F116 AromaticContact CE2-CD2 3.72Å; F79-F116 HydrophobicContact CE2-CD2 3.72Å; F79-F116 AromaticContact CE2-CG 3.98Å; F79-F116 HydrophobicContact CE2-CG 3.98Å; F79-F116 HydrophobicContact CZ-CB 3.9Å; F79-F116 HydrophobicContact CZ-CD2 4.36Å; F79-F116 HydrophobicContact CZ-CG 4.24Å; V80-F116 CarbonylContact O-C 3.48Å; V80-F116 WeakPolarHBondContact O-CA 3.18Å; V80-F116 WeakPolarHBondContact O-CB 3.46Å; Y81-F116 HydrophobicContact CD2-CB 4.19Å; V107-F116 HydrophobicContact CB-CD2 3.71Å; V107-F116 HydrophobicContact CB-CE2 3.21Å; V107-F116 HydrophobicContact CB-CZ 3.77Å; V107-F116 HydrophobicContact CG1-CD2 4.43Å; V107-F116 HydrophobicContact CG1-CE2 3.48Å; V107-F116 VanDerWaalsContact CG1-CE2 3.48Å; V107-F116 HydrophobicContact CG1-CZ 3.57Å; V107-F116 HydrophobicContact CG2-CD2 3.87Å; V107-F116 HydrophobicContact CG2-CE2 3.43Å; V107-F116 VanDerWaalsContact CG2-CE2 3.43Å; V107-F116 HydrophobicContact CG2-CZ 4.37Å; V107-F116 PolarHBondContact N-O 2.9Å; R114-F116 VanDerWaalsContact C-N 3.3Å; R114-F116 HydrophobicContact CB-CD1 3.45Å; R114-F116 VanDerWaalsContact CB-CD1 3.45Å; R114-F116 HydrophobicContact CB-CE1 3.11Å; R114-F116 HydrophobicContact CB-CG 4.39Å; R114-F116 HydrophobicContact CB-CZ 3.82Å; R114-F116 VanDerWaalsContact CD-CE1 3.42Å; R114-F116 VanDerWaalsContact CD-CZ 3.46Å; R114-F116 HydrophobicContact CG-CE1 3.9Å; R114-F116 HydrophobicContact CG-CZ 4.25Å; R114-F116 WeakPolarHBondContact O-CD1 3.34Å; F116-F118 HydrophobicContact CD2-CE2 4.04Å; F116-F118 HydrophobicContact CE2-CE2 4.01Å
117C89.9Confident85.5Confident1 Ų145.7 Ų45.71%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-134.2154.1174.559.20000111.2V80 N105 I106V80-C117 VanDerWaalsContact CB-SG 3.5Å; V80-C117 PolarHBondContact N-O 2.74Å; V80-C117 PolarHBondContact O-N 3.39Å; N105-C117 CarbonylContact O-C 3.51Å; N105-C117 WeakPolarHBondContact O-CA 3.07Å; I106-C117 HydrophobicContact CG1-CB 4.16Å
118F92.7Very high85.5Confident38 Ų3845 Ų4517%0.16728%0.278CS..EExtended strand (participates in β ladder)trans-108.1134169.3-63.4-86.1000108.2R77 A78 F79 N105 V107 F116 A148R77-F118 HydrophobicContact CG-CB 4.39Å; R77-F118 HydrophobicContact CG-CD1 4.4Å; A78-F118 WeakPolarHBondContact O-CA 3.43Å; F79-F118 HydrophobicContact CB-CD1 4.29Å; F79-F118 HydrophobicContact CB-CE1 4.19Å; F79-F118 AromaticContact CD2-CD1 3.73Å; F79-F118 HydrophobicContact CD2-CD1 3.73Å; F79-F118 AromaticContact CD2-CE1 3.27Å; F79-F118 HydrophobicContact CD2-CE1 3.27Å; F79-F118 HydrophobicContact CD2-CE2 4.22Å; F79-F118 HydrophobicContact CD2-CG 4.38Å; F79-F118 AromaticContact CD2-CZ 3.54Å; F79-F118 HydrophobicContact CD2-CZ 3.54Å; F79-F118 AromaticContact CE2-CE1 3.92Å; F79-F118 HydrophobicContact CE2-CE1 3.92Å; F79-F118 HydrophobicContact CE2-CE2 4.21Å; F79-F118 AromaticContact CE2-CZ 3.68Å; F79-F118 HydrophobicContact CE2-CZ 3.68Å; F79-F118 HydrophobicContact CG-CD1 4.48Å; F79-F118 HydrophobicContact CG-CE1 4.05Å; N105-F118 HydrophobicContact CB-CB 4.28Å; N105-F118 PolarHBondContact N-O 2.84Å; N105-F118 PolarHBondContact O-N 2.79Å; V107-F118 HydrophobicContact CG2-CD2 3.83Å; V107-F118 HydrophobicContact CG2-CE2 3.74Å; F116-F118 HydrophobicContact CD2-CE2 4.04Å; F116-F118 HydrophobicContact CE2-CE2 4.01Å; F118-A148 HydrophobicContact CD1-CB 4.11Å; F118-A148 HydrophobicContact CE1-CB 4.34Å
119V90.3Very high85.9Confident0 Ų046 Ų460%027%0.273CS..EExtended strand (participates in β ladder)trans-126.2120.7-178.8-177.70000108R77 A78 V80 V92 F96 V101 I104 F121R77-V119 CarbonylContact C-O 3.55Å; R77-V119 WeakPolarHBondContact CA-O 3.45Å; A78-V119 PolarHBondContact N-O 3.14Å; A78-V119 PolarHBondContact O-N 3.03Å; V80-V119 HydrophobicContact CG2-CG2 4.21Å; V92-V119 HydrophobicContact CG1-CG2 3.86Å; F96-V119 HydrophobicContact CD2-CG1 4.16Å; F96-V119 HydrophobicContact CD2-CG2 4.39Å; F96-V119 HydrophobicContact CE2-CB 4.31Å; F96-V119 HydrophobicContact CE2-CG1 4.16Å; F96-V119 HydrophobicContact CE2-CG2 3.78Å; V101-V119 HydrophobicContact CB-CG1 4.41Å; V101-V119 HydrophobicContact CG1-CG1 3.44Å; V101-V119 VanDerWaalsContact CG1-CG1 3.44Å; V101-V119 HydrophobicContact CG2-CG1 4.11Å; I104-V119 HydrophobicContact CG2-CG2 4.5Å; V119-F121 HydrophobicContact CB-CE2 4.14Å; V119-F121 HydrophobicContact CB-CZ 4.29Å; V119-F121 HydrophobicContact CG1-CD2 4.37Å; V119-F121 HydrophobicContact CG1-CE1 4Å; V119-F121 HydrophobicContact CG1-CE2 3.76Å; V119-F121 HydrophobicContact CG1-CZ 3.55Å
120D90.7Very high86.3Confident42 Ų4245.1 Ų45.123%0.22526%0.264CS..EExtended strand (participates in β ladder)trans-93.5125.4176.4-67.9-29000109.4R77 T102 N103R77-D120 WeakPolarHBondContact CB-OD1 3.05Å; R77-D120 VanDerWaalsContact CD-OD1 3.25Å; R77-D120 WeakPolarHBondContact CD-OD1 3.18Å; R77-D120 WeakPolarHBondContact CG-OD1 3.39Å; T102-D120 PolarHBondContact N-O 3.43Å; N103-D120 HydrophobicContact CB-CB 4.13Å; N103-D120 PolarHBondContact N-O 2.66Å; N103-D120 PolarHBondContact O-N 2.98Å
121F88.7Confident86.8Confident8 Ų839 Ų394%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-103.2148176.9-66-77.7000111.6F76 A78 F96 V101 V119 D126 A130F76-F121 HydrophobicContact CB-CB 4.04Å; F76-F121 PolarHBondContact O-N 3.2Å; A78-F121 HydrophobicContact CB-CD2 4.21Å; A78-F121 HydrophobicContact CB-CE2 3.62Å; F96-F121 HydrophobicContact CB-CE1 4.45Å; F96-F121 HydrophobicContact CD1-CE1 4.09Å; F96-F121 AromaticContact CD1-CZ 3.67Å; F96-F121 HydrophobicContact CD1-CZ 3.67Å; F96-F121 HydrophobicContact CD2-CZ 4.34Å; F96-F121 AromaticContact CE1-CZ 3.76Å; F96-F121 HydrophobicContact CE1-CZ 3.76Å; F96-F121 HydrophobicContact CE2-CZ 4.44Å; F96-F121 HydrophobicContact CG-CE1 4.19Å; F96-F121 AromaticContact CG-CZ 3.98Å; F96-F121 HydrophobicContact CG-CZ 3.98Å; F96-F121 HydrophobicContact CZ-CZ 4.15Å; V101-F121 HydrophobicContact CG2-CD1 4.18Å; V101-F121 HydrophobicContact CG2-CE1 3.68Å; V119-F121 HydrophobicContact CB-CE2 4.14Å; V119-F121 HydrophobicContact CB-CZ 4.29Å; V119-F121 HydrophobicContact CG1-CD2 4.37Å; V119-F121 HydrophobicContact CG1-CE1 4Å; V119-F121 HydrophobicContact CG1-CE2 3.76Å; V119-F121 HydrophobicContact CG1-CZ 3.55Å; F121-D126 HydrophobicContact CB-CB 4.03Å; F121-D126 HydrophobicContact CD1-CB 3.56Å; F121-D126 HydrophobicContact CE1-CB 4.26Å; F121-D126 HydrophobicContact CG-CB 3.97Å; F121-A130 HydrophobicContact CE2-CB 3.93Å; F121-A130 HydrophobicContact CZ-CB 3.83Å
122A87.1Confident87.3Confident44 Ų4440.9 Ų40.936%0.36422%0.216SC..SBendtrans-82.2-34.5174.400000112K100 T102K100-A122 PolarHBondContact O-N 2.77Å; T102-A122 PolarHBondContact OG1-N 3.23Å
123S86.3Confident87.4Confident39 Ų3942.8 Ų42.827%0.27321%0.211SC..  trans-103.2150.2-177.4-162.50000113D125 D126S123-D125 VanDerWaalsContact C-N 3.34Å; S123-D125 PolarHBondContact OG-N 3.41Å; S123-D125 PolarHBondContact OG-OD2 3.35Å; S123-D126 WeakPolarHBondContact CB-OD2 3.25Å
124R84Confident87.5Confident55 Ų5543.8 Ų43.821%0.20822%0.217CC..Hα-helixtrans-62.1-43.4167.4-178.7178.3-169.5-118.95.5111L67 L70 F76 D126 L127 A128L67-R124 PolarHBondContact O-NH2 2.95Å; L70-R124 HydrophobicContact CB-CG 3.63Å; L70-R124 HydrophobicContact CD1-CG 3.44Å; L70-R124 VanDerWaalsContact CD1-CG 3.44Å; L70-R124 HydrophobicContact CG-CG 4.04Å; L70-R124 PolarHBondContact O-NE 2.96Å; L70-R124 PolarHBondContact O-NH2 3.46Å; F76-R124 HydrophobicContact CE1-CB 3.95Å; F76-R124 HydrophobicContact CE1-CG 4.2Å; F76-R124 HydrophobicContact CE2-CB 4.33Å; F76-R124 HydrophobicContact CZ-CB 3.77Å; F76-R124 HydrophobicContact CZ-CG 4.4Å; R124-D126 VanDerWaalsContact C-N 3.3Å; R124-D126 PolarHBondContact O-N 3.08Å; R124-L127 PolarHBondContact O-N 3.41Å; R124-A128 PolarHBondContact O-N 3.17Å
125D85.5Confident87.2Confident89 Ų8942 Ų4248%0.47622%0.218SC..Hα-helixtrans-67.1-32.2-177.9-49.3-47.2000112S123 L127 A128 K129S123-D125 VanDerWaalsContact C-N 3.34Å; S123-D125 PolarHBondContact OG-N 3.41Å; S123-D125 PolarHBondContact OG-OD2 3.35Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-A128 WeakPolarHBondContact O-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.48Å; D125-K129 WeakPolarHBondContact O-CB 3.39Å; D125-K129 VanDerWaalsContact O-CG 3.25Å; D125-K129 WeakPolarHBondContact O-CG 3.43Å; D125-K129 PolarHBondContact O-N 2.88Å
126D88.1Confident86.8Confident13 Ų1343.3 Ų43.37%0.0723%0.226CC..Hα-helixtrans-66.2-38.2177.3-65.2-40.4000110.7L99 K100 F121 S123 R124 A130L99-D126 HydrophobicContact CB-CB 4.27Å; L99-D126 WeakPolarHBondContact CB-OD1 3.32Å; L99-D126 WeakPolarHBondContact CD2-OD1 3.47Å; K100-D126 PolarHBondContact N-OD1 2.77Å; K100-D126 PolarHBondContact N-OD2 2.77Å; F121-D126 HydrophobicContact CB-CB 4.03Å; F121-D126 HydrophobicContact CD1-CB 3.56Å; F121-D126 HydrophobicContact CE1-CB 4.26Å; F121-D126 HydrophobicContact CG-CB 3.97Å; S123-D126 WeakPolarHBondContact CB-OD2 3.25Å; R124-D126 VanDerWaalsContact C-N 3.3Å; R124-D126 PolarHBondContact O-N 3.08Å; D126-A130 WeakPolarHBondContact O-CB 3.26Å; D126-A130 PolarHBondContact O-N 3.47Å
127L86.6Confident86.4Confident5 Ų545.2 Ų45.23%0.02624%0.244CC..Hα-helixtrans-65.9-40.6174.4-172.4150.6000111.4L70 F76 R124 D125 A130 L131 I147L70-L127 HydrophobicContact CD2-CB 4.29Å; L70-L127 HydrophobicContact CD2-CD2 3.3Å; L70-L127 HydrophobicContact CD2-CG 4.36Å; F76-L127 HydrophobicContact CB-CB 4.31Å; F76-L127 HydrophobicContact CB-CD1 3.81Å; F76-L127 HydrophobicContact CD1-CD1 4.21Å; R124-L127 PolarHBondContact O-N 3.41Å; D125-L127 VanDerWaalsContact C-N 3.32Å; L127-A130 PolarHBondContact O-N 2.81Å; L127-L131 HydrophobicContact CD2-CD1 3.72Å; L127-L131 HydrophobicContact CD2-CG 4.26Å; L127-L131 WeakPolarHBondContact O-CG 3.39Å; L127-L131 PolarHBondContact O-N 2.87Å; L127-I147 HydrophobicContact CD2-CG1 4.33Å
128A85.4Confident85.7Confident11 Ų1146.6 Ų46.69%0.09125%0.252CS..Hα-helixtrans-59.6-53.5175.600000111.1L70 R124 D125 A130 L131 E132L70-A128 HydrophobicContact CD1-CB 3.63Å; L70-A128 HydrophobicContact CD2-CB 3.92Å; L70-A128 HydrophobicContact CG-CB 4.26Å; R124-A128 PolarHBondContact O-N 3.17Å; D125-A128 WeakPolarHBondContact O-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.48Å; A128-A130 VanDerWaalsContact C-N 3.26Å; A128-A130 PolarHBondContact O-N 2.92Å; A128-L131 WeakPolarHBondContact O-CB 3.42Å; A128-L131 PolarHBondContact O-N 3.4Å; A128-E132 PolarHBondContact O-N 3.19Å
129K88.2Confident85.1Confident91 Ų9148.8 Ų48.840%0.39628%0.276SS..Hα-helixtrans-61.5-34.1178.3-68.5170.4-1731750112.1L99 D125 E132 R133L99-K129 HydrophobicContact CD1-CB 3.94Å; L99-K129 HydrophobicContact CD2-CB 4.01Å; L99-K129 HydrophobicContact CD2-CD 3.51Å; L99-K129 HydrophobicContact CD2-CG 4.4Å; D125-K129 WeakPolarHBondContact O-CB 3.39Å; D125-K129 VanDerWaalsContact O-CG 3.25Å; D125-K129 WeakPolarHBondContact O-CG 3.43Å; D125-K129 PolarHBondContact O-N 2.88Å; K129-E132 PolarHBondContact O-N 3.49Å; K129-R133 WeakPolarHBondContact O-CB 3.39Å; K129-R133 VanDerWaalsContact O-CG 3.26Å; K129-R133 WeakPolarHBondContact O-CG 3.44Å; K129-R133 PolarHBondContact O-N 2.78Å
130A87.6Confident84.8Confident0 Ų052.1 Ų52.10%031%0.311CS..Hα-helixtrans-66.5-36.9175.100000112.3F96 F121 D126 L127 A128 R133 V145F96-A130 HydrophobicContact CD1-CB 4.26Å; F96-A130 HydrophobicContact CE1-CB 3.74Å; F121-A130 HydrophobicContact CE2-CB 3.93Å; F121-A130 HydrophobicContact CZ-CB 3.83Å; D126-A130 WeakPolarHBondContact O-CB 3.26Å; D126-A130 PolarHBondContact O-N 3.47Å; L127-A130 PolarHBondContact O-N 2.81Å; A128-A130 VanDerWaalsContact C-N 3.26Å; A128-A130 PolarHBondContact O-N 2.92Å; A130-R133 PolarHBondContact O-N 2.86Å; A130-V145 HydrophobicContact CB-CG1 4.17Å; A130-V145 WeakPolarHBondContact O-CB 3.42Å
131L86.7Confident84.8Confident44 Ų4454.1 Ų54.123%0.2332%0.316CS..Hα-helixtrans-69.8-36.1174.7-69.7172.9000112L127 A128 R133 S134 V145 I147L127-L131 HydrophobicContact CD2-CD1 3.72Å; L127-L131 HydrophobicContact CD2-CG 4.26Å; L127-L131 WeakPolarHBondContact O-CG 3.39Å; L127-L131 PolarHBondContact O-N 2.87Å; A128-L131 WeakPolarHBondContact O-CB 3.42Å; A128-L131 PolarHBondContact O-N 3.4Å; L131-R133 VanDerWaalsContact C-N 3.32Å; L131-S134 WeakPolarHBondContact O-CB 3.28Å; L131-S134 PolarHBondContact O-N 3.43Å; L131-S134 PolarHBondContact O-OG 2.84Å; L131-V145 HydrophobicContact CD2-CG1 4.43Å; L131-I147 HydrophobicContact CD1-CD1 4.22Å; L131-I147 HydrophobicContact CD1-CG1 4Å; L131-I147 HydrophobicContact CD2-CG1 4.21Å
132E86.7Confident84.8Confident127 Ų12759.5 Ų59.559%0.59334%0.341SS*.Hα-helixtrans-69.5-30.3175.6-65.6-174157.100112.9A128 K129 S134A128-E132 PolarHBondContact O-N 3.19Å; K129-E132 PolarHBondContact O-N 3.49Å; E132-S134 PolarHBondContact O-N 3.33Å
133R81.9Confident85Confident82 Ų8257.4 Ų57.431%0.30932%0.324SS..THydrogen-bonded Turntrans-79.912.9175.1-69.8177.8-179.1-163.51.8114F95 S97 K129 A130 L131 S136F95-R133 HydrophobicContact CZ-CB 4.08Å; F95-R133 PolarHBondContact O-NH1 3.28Å; S97-R133 PolarHBondContact O-NH1 2.87Å; K129-R133 WeakPolarHBondContact O-CB 3.39Å; K129-R133 VanDerWaalsContact O-CG 3.26Å; K129-R133 WeakPolarHBondContact O-CG 3.44Å; K129-R133 PolarHBondContact O-N 2.78Å; A130-R133 PolarHBondContact O-N 2.86Å; L131-R133 VanDerWaalsContact C-N 3.32Å; R133-S136 PolarHBondContact O-OG 3.1Å
134S83.6Confident85.3Confident48 Ų4858.4 Ų58.434%0.33633%0.326SS..THydrogen-bonded Turntrans-53.2147.4170.851.90000111.4L131 E132L131-S134 WeakPolarHBondContact O-CB 3.28Å; L131-S134 PolarHBondContact O-N 3.43Å; L131-S134 PolarHBondContact O-OG 2.84Å; E132-S134 PolarHBondContact O-N 3.33Å
135D81.2Confident85.6Confident96 Ų9656 Ų5651%0.51332%0.317SS..THydrogen-bonded Turntrans78.717.5179.1-47.9-45.2000116.3V143 N144D135-V143 WeakPolarHBondContact CA-O 3.15Å; D135-V143 PolarHBondContact N-O 3.35Å; D135-N144 PolarHBondContact OD1-OD1 3.03Å
136S80.6Confident85.9Confident33 Ų3360.2 Ų60.223%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-73.7146.2178.1-66.30000113.6F95 R133 Q142 V143F95-S136 WeakPolarHBondContact CE2-OG 3.09Å; F95-S136 WeakPolarHBondContact CZ-OG 3.15Å; R133-S136 PolarHBondContact O-OG 3.1Å; S136-Q142 CarbonylContact O-C 3.57Å; S136-Q142 WeakPolarHBondContact O-CA 3.49Å; S136-V143 PolarHBondContact N-O 3.02Å; S136-V143 WeakPolarHBondContact O-CB 3.42Å; S136-V143 PolarHBondContact O-N 3.06Å
137S82.2Confident85.9Confident83 Ų8363.8 Ų63.858%0.5835%0.345SS*.EExtended strand (participates in β ladder)trans-95.8118.2-173.5-170.10000113R141S137-R141 CarbonylContact C-O 3.57Å; S137-R141 WeakPolarHBondContact CA-O 3.47Å
138L76.1Confident85.9Confident31 Ų3164.4 Ų64.416%0.16235%0.35CS..EExtended strand (participates in β ladder)trans-115.9124.7169-67.5-174.7000110.4F95 G140 R141 V143F95-L138 HydrophobicContact CB-CD1 4.39Å; F95-L138 HydrophobicContact CB-CD2 4.39Å; L138-G140 PolarHBondContact O-N 3.23Å; L138-G140 VanDerWaalsContact O-N 3.13Å; L138-R141 PolarHBondContact N-O 3.36Å; L138-R141 PolarHBondContact O-N 3.4Å; L138-V143 HydrophobicContact CB-CG2 4.01Å; L138-V143 HydrophobicContact CD1-CG2 4Å; L138-V143 HydrophobicContact CG-CG2 3.94Å
139A79.7Confident85.7Confident83 Ų8366.7 Ų66.769%0.68637%0.369SS*.THydrogen-bonded Turntrans50.137-179.800000113.8A84A84-A139 HydrophobicContact CB-CB 3.9Å
140G84.8Confident85.2Confident71 Ų7166.5 Ų66.573%0.73238%0.377SS*.THydrogen-bonded Turntrans79.213.6-17900000115L138L138-G140 PolarHBondContact O-N 3.23Å; L138-G140 VanDerWaalsContact O-N 3.13Å
141R89.1Confident84.6Confident84 Ų8470 Ų7032%0.31740%0.396SS..EExtended strand (participates in β ladder)trans-123.5136.7176.8-63.4175.769.4127.11.2110.5N82 S137 L138N82-R141 PolarHBondContact OD1-NH2 3.2Å; S137-R141 CarbonylContact C-O 3.57Å; S137-R141 WeakPolarHBondContact CA-O 3.47Å; L138-R141 PolarHBondContact N-O 3.36Å; L138-R141 PolarHBondContact O-N 3.4Å
142Q89.9Confident83.7Confident120 Ų12073.3 Ų73.356%0.56141%0.414SS*.EExtended strand (participates in β ladder)trans-78.4135.9175.9-68.3170.9-7.600110.9N82 S136N82-Q142 WeakPolarHBondContact CB-O 3.27Å; N82-Q142 PolarHBondContact ND2-O 3.36Å; S136-Q142 CarbonylContact O-C 3.57Å; S136-Q142 WeakPolarHBondContact O-CA 3.49Å
143V90.5Very high82.6Confident1 Ų171.8 Ų71.81%0.00642%0.417CS..EExtended strand (participates in β ladder)trans-108.5129.6-174.9178.10000108.9V80 V83 D135 S136 L138V80-V143 HydrophobicContact CG1-CG1 3.03Å; V83-V143 HydrophobicContact CG2-CG1 4.09Å; D135-V143 WeakPolarHBondContact CA-O 3.15Å; D135-V143 PolarHBondContact N-O 3.35Å; S136-V143 PolarHBondContact N-O 3.02Å; S136-V143 WeakPolarHBondContact O-CB 3.42Å; S136-V143 PolarHBondContact O-N 3.06Å; L138-V143 HydrophobicContact CB-CG2 4.01Å; L138-V143 HydrophobicContact CD1-CG2 4Å; L138-V143 HydrophobicContact CG-CG2 3.94Å
144N92.5Very high81.5Confident59 Ų5976.3 Ų76.332%0.31644%0.442SS..EExtended strand (participates in β ladder)trans-110.8127.3-176.1-65.2-3.7000109.8V80 Y81 D135V80-N144 CarbonylContact C-O 3.54Å; V80-N144 VanDerWaalsContact CA-O 3.31Å; V80-N144 WeakPolarHBondContact CA-O 3.39Å; Y81-N144 PolarHBondContact N-O 3.5Å; Y81-N144 PolarHBondContact O-N 3.07Å; D135-N144 PolarHBondContact OD1-OD1 3.03Å
145V91Very high80.2Confident5 Ų583.1 Ų83.13%0.0346%0.46CS..EExtended strand (participates in β ladder)trans-105.2132.9-179.3-172.10000109.9A78 V80 F95 F96 A130 L131A78-V145 HydrophobicContact CB-CG1 3.95Å; V80-V145 HydrophobicContact CG2-CG1 4.42Å; V80-V145 HydrophobicContact CG2-CG2 4.3Å; F95-V145 HydrophobicContact CE1-CG2 4.4Å; F96-V145 HydrophobicContact CZ-CG2 4.36Å; A130-V145 HydrophobicContact CB-CG1 4.17Å; A130-V145 WeakPolarHBondContact O-CB 3.42Å; L131-V145 HydrophobicContact CD2-CG1 4.43Å
146R91.3Very high78.7Confident178 Ų17881.6 Ų81.667%0.67247%0.467SS*.EExtended strand (participates in β ladder)trans-134.9162.8176.9-66.1-65.2-175.3179.7-3.1109.9A78 F79 A148A78-R146 CarbonylContact C-O 3.55Å; A78-R146 WeakPolarHBondContact CA-O 3.4Å; F79-R146 PolarHBondContact N-O 3.34Å; F79-R146 PolarHBondContact O-N 3.39Å; R146-A148 PolarHBondContact O-N 3.3Å
147I88.4Confident77.2Confident88 Ų8882.9 Ų82.945%0.45149%0.485SS..EExtended strand (participates in β ladder)trans-70.7128170.3-55.8175.6000108L127 L131L127-I147 HydrophobicContact CD2-CG1 4.33Å; L131-I147 HydrophobicContact CD1-CD1 4.22Å; L131-I147 HydrophobicContact CD1-CG1 4Å; L131-I147 HydrophobicContact CD2-CG1 4.21Å
148A86.9Confident75.6Confident17 Ų1788 Ų8814%0.1450%0.497CS..PPolyproline II helixtrans-79.5149.2177.500000111.1R77 F79 F118 R146R77-A148 HydrophobicContact CB-CB 3.86Å; R77-A148 HydrophobicContact CG-CB 3.57Å; R77-A148 WeakPolarHBondContact O-CB 3.42Å; R77-A148 PolarHBondContact O-N 2.94Å; F79-A148 HydrophobicContact CB-CB 3.89Å; F118-A148 HydrophobicContact CD1-CB 4.11Å; F118-A148 HydrophobicContact CE1-CB 4.34Å; R146-A148 PolarHBondContact O-N 3.3Å
149A81.5Confident74.4Confident59 Ų5991.8 Ų91.849%0.48852%0.522SS..PPolyproline II helixtrans-60.2161.3163.600000110.4R77R77-A149 VanDerWaalsContact CZ-O 3.29Å; R77-A149 PolarHBondContact NE-O 3.29Å; R77-A149 PolarHBondContact NH2-O 2.96Å
150P77.3Confident73.2Confident88 Ų8898.2 Ų98.257%0.57153%0.528SS*.PPolyproline II helixtrans-58.7161.9166.325.4-34.7000111.6R77 N152R77-P150 PolarHBondContact NH2-O 2.86Å; P150-N152 PolarHBondContact O-N 3.49Å
151N74.2Confident71.6Confident72 Ų72101.4 Ų101.439%0.38552%0.524SS..PPolyproline II helixtrans-61.5120.3-177.1-61.4-21.4000110.4R77 S153R77-N151 PolarHBondContact NE-OD1 3.05Å; R77-N151 PolarHBondContact NH1-OD1 3.26Å; N151-S153 PolarHBondContact O-N 3.04Å; N151-S153 VanDerWaalsContact O-N 3.07Å
152N67.8Low69.7Low115 Ų115104.2 Ų104.262%0.61554%0.539SS*.THydrogen-bonded Turntrans-70.44.6174.4-73.7-22.9000113.1P150 E154 R155P150-N152 PolarHBondContact O-N 3.49Å; N152-E154 VanDerWaalsContact C-N 3.33Å; N152-E154 PolarHBondContact O-N 3.4Å; N152-R155 VanDerWaalsContact O-O 3.07Å
153S64.3Low67.6Low94 Ų94104.1 Ų104.166%0.65754%0.542SS*.THydrogen-bonded Turntrans-66-35.1179.948.20000112.5N151N151-S153 PolarHBondContact O-N 3.04Å; N151-S153 VanDerWaalsContact O-N 3.07Å
154E59.4Low65.5Low178 Ų178113 Ų11383%0.83258%0.577SS**SBendtrans-82.2-35.6-177.7-70.1171.4-164.900112.9N152 G156N152-E154 VanDerWaalsContact C-N 3.33Å; N152-E154 PolarHBondContact O-N 3.4Å; E154-G156 PolarHBondContact O-N 3.23Å
155R56.5Low63Low191 Ų191114.9 Ų114.972%0.72159%0.593SS**SBendtrans-75.182.4167.9-101.4-169.1-77.4177.5-6.1107.3N152 G157N152-R155 VanDerWaalsContact O-O 3.07Å; R155-G157 PolarHBondContact O-N 2.93Å
156G49.4Very low60.9Low64 Ų64119.8 Ų119.866%0.6663%0.628SS**  trans-29.3114.317500000108.3E154 F158E154-G156 PolarHBondContact O-N 3.23Å; G156-F158 PolarHBondContact O-N 3.17Å
157G48.8Very low58.5Low59 Ų59114.4 Ų114.461%0.60863%0.628SS**  trans-41121-170.500000107.1R155 V159R155-G157 PolarHBondContact O-N 2.93Å; G157-V159 PolarHBondContact O-N 2.94Å
158F48.9Very low56.1Low190 Ų190117.3 Ų117.383%0.83364%0.641SS**  trans-47.4104.9158.9-179.3-97.8000101.7G156 R160G156-F158 PolarHBondContact O-N 3.17Å; F158-R160 HydrophobicContact CD1-CG 4.39Å; F158-R160 PolarHBondContact O-N 3.43Å
159V51.1Low53.9Low112 Ų112126.5 Ų126.568%0.67967%0.672SS**  trans-55.5100.2173.8174000098G157 E161G157-V159 PolarHBondContact O-N 2.94Å; V159-E161 HydrophobicContact CG1-CB 4.23Å; V159-E161 PolarHBondContact O-N 3.07Å
160R54Low52Low217 Ų217136 Ų13682%0.81970%0.696SS**  trans-61.383.2151.4-73.2-173.6-173.7-165.2298.6F158 K162F158-R160 HydrophobicContact CD1-CG 4.39Å; F158-R160 PolarHBondContact O-N 3.43Å; R160-K162 PolarHBondContact O-N 3.49Å
161E50.1Low50.2Low139 Ų139135.2 Ų135.265%0.6569%0.692SS**  trans-49.596.5157.7-170.1159.1-154.70097.7V159 N163V159-E161 HydrophobicContact CG1-CB 4.23Å; V159-E161 PolarHBondContact O-N 3.07Å; E161-N163 PolarHBondContact O-N 3.06Å
162K49.3Very low48.4Very low143 Ų143140 Ų14062%0.62271%0.712SS**  trans-54.5100.1168-73.4177.3179.8174.1097.6R160 Y164R160-K162 PolarHBondContact O-N 3.49Å; K162-Y164 HydrophobicContact CB-CD2 3.42Å; K162-Y164 VanDerWaalsContact CB-CD2 3.42Å; K162-Y164 HydrophobicContact CB-CE2 3.27Å; K162-Y164 HydrophobicContact CB-CG 4.22Å; K162-Y164 HydrophobicContact CD-CD2 4.38Å; K162-Y164 HydrophobicContact CD-CE2 3.38Å; K162-Y164 VanDerWaalsContact CD-OH 3.3Å; K162-Y164 WeakPolarHBondContact CD-OH 3.41Å; K162-Y164 HydrophobicContact CG-CE2 3.99Å; K162-Y164 VanDerWaalsContact O-CD2 3.24Å; K162-Y164 WeakPolarHBondContact O-CD2 3.45Å; K162-Y164 PolarHBondContact O-N 2.63Å
163N46.1Very low47Very low118 Ų118142.8 Ų142.863%0.63173%0.725SS**  trans-65.873.3173.5-76.4-49000102.4E161 C165 S166E161-N163 PolarHBondContact O-N 3.06Å; N163-C165 PolarHBondContact O-N 3.44Å; N163-S166 PolarHBondContact O-N 2.8Å; N163-S166 VanDerWaalsContact O-N 3.11Å
164Y47.5Very low45.5Very low187 Ų187140.5 Ų140.573%0.73372%0.716SS**THydrogen-bonded Turntrans-65.151.7152.9-66.1-71.8000105.9K162K162-Y164 HydrophobicContact CB-CD2 3.42Å; K162-Y164 VanDerWaalsContact CB-CD2 3.42Å; K162-Y164 HydrophobicContact CB-CE2 3.27Å; K162-Y164 HydrophobicContact CB-CG 4.22Å; K162-Y164 HydrophobicContact CD-CD2 4.38Å; K162-Y164 HydrophobicContact CD-CE2 3.38Å; K162-Y164 VanDerWaalsContact CD-OH 3.3Å; K162-Y164 WeakPolarHBondContact CD-OH 3.41Å; K162-Y164 HydrophobicContact CG-CE2 3.99Å; K162-Y164 VanDerWaalsContact O-CD2 3.24Å; K162-Y164 WeakPolarHBondContact O-CD2 3.45Å; K162-Y164 PolarHBondContact O-N 2.63Å
165C39Very low44.2Very low98 Ų98140.3 Ų140.366%0.66271%0.713SS**THydrogen-bonded Turntrans-155.34.4176.8-90.60000110.7N163N163-C165 PolarHBondContact O-N 3.44Å
166S47.3Very low43.1Very low109 Ų109139 Ų13976%0.76272%0.715SS**THydrogen-bonded Turntrans-74.7-12.1151.7176.60000111.6N163 M168N163-S166 PolarHBondContact O-N 2.8Å; N163-S166 VanDerWaalsContact O-N 3.11Å; S166-M168 PolarHBondContact O-N 3.38Å
167G40.7Very low42.4Very low64 Ų64145.8 Ų145.866%0.6672%0.72SS**THydrogen-bonded Turntrans-74.63.4170.700000114.8R169G167-R169 PolarHBondContact O-N 3.35Å
168M38.5Very low41.8Very low150 Ų150151.8 Ų151.874%0.73973%0.733SS**  trans-68.280.3161.7-141.376.2132.200106.6S166 R170S166-M168 PolarHBondContact O-N 3.38Å; M168-R170 PolarHBondContact O-N 2.93Å
169R40.6Very low41.1Very low210 Ų210153.1 Ų153.179%0.79273%0.732SS**  trans-45.4113.5166.3-77.1-166.9163.899.5-1.2105.8G167 S171G167-R169 PolarHBondContact O-N 3.35Å; R169-S171 PolarHBondContact O-N 3.24Å
170R40.4Very low40.3Very low259 Ų259151.5 Ų151.598%0.97774%0.738SS**SBendtrans-67.417177-160.8171.8-174.11391.9112.5M168M168-R170 PolarHBondContact O-N 2.93Å
171S40.8Very low39.4Very low70 Ų70147.6 Ų147.649%0.4974%0.738SS.*SBendtrans-130.690.2173.457.40000104.4R169R169-S171 PolarHBondContact O-N 3.24Å
172E37Very low38.7Very low173 Ų173150 Ų15081%0.80874%0.742SS**SBend-171.624.199.6-89.3146.7-157.700112G174E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 2.88Å
173I37.5Very low38.3Very low174 Ų174154.2 Ų154.289%0.89275%0.754SS**  trans-10457.7175.8-52.9161.4000110
174G32.4Very low37.9Very low45 Ų45153.4 Ų153.446%0.46476%0.756SS.*SBendtrans-156.4111.7155.400000101.5E172E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 2.88Å
175F31.8Very low37.6Very low174 Ų174147.5 Ų147.576%0.76375%0.746SS**SBendcis-156.691.945.2-63.4-98.6000108.1
176E33.9Very low37.5Very low164 Ų164147.2 Ų147.277%0.76675%0.751SS**  trans-129.878.1153-159.763.9-121.800106Q178E176-Q178 PolarHBondContact O-N 3.25Å
177R35.2Very low37.2Very low206 Ų206150.5 Ų150.578%0.77776%0.759SS**  trans-56.297.4166.5-83.4-172.6-77.2-109.7-0.6106.8R179R177-R179 PolarHBondContact O-N 3.04Å
178Q35.6Very low36.9Very low185 Ų185157.8 Ų157.886%0.86477%0.766SS**  trans27.173.9138-63.6-178.5-5.900112.8E176 G180E176-Q178 PolarHBondContact O-N 3.25Å; Q178-G180 PolarHBondContact O-N 2.79Å
179R34.6Very low36.9Very low219 Ų219157.4 Ų157.483%0.82677%0.767SS**  trans-65.2119.2148.4-69.5-160.7-173.1-1205.1105.6R177 V181R177-R179 PolarHBondContact O-N 3.04Å; R179-V181 PolarHBondContact O-N 3.49Å; R179-V181 VanDerWaalsContact O-N 3.17Å
180G33.2Very low37.1Very low78 Ų78157.4 Ų157.480%0.80477%0.768SS**  trans-49.2118.8-168.800000112.8Q178Q178-G180 PolarHBondContact O-N 2.79Å
181V36.1Very low37.2Very low134 Ų134149 Ų14981%0.81276%0.762SS**  trans-108.695.5155.2-174.20000105.8R179 R183R179-V181 PolarHBondContact O-N 3.49Å; R179-V181 VanDerWaalsContact O-N 3.17Å; V181-R183 PolarHBondContact O-N 3.37Å
182Y35.6Very low37.4Very low190 Ų190150.3 Ų150.375%0.74576%0.761SS**  trans-16.2107.9161.4-173.1-99.2000113.2
183R40.7Very low37.9Very low231 Ų231147.5 Ų147.587%0.87275%0.751SS**  trans-71.4121.8163.9-73-111177.8119.1-2.5107V181 A185V181-R183 PolarHBondContact O-N 3.37Å; R183-A185 PolarHBondContact O-N 2.9Å
184P37.5Very low38.5Very low101 Ų101145 Ų14566%0.65674%0.744SS**  trans-60.1124.8179.6-1829000110A186P184-A186 PolarHBondContact O-N 2.74Å
185A41.5Very low39.1Very low64 Ų64149.4 Ų149.453%0.52975%0.753SS.*THydrogen-bonded Turntrans-72.318.6-177.300000114.5R183R183-A185 PolarHBondContact O-N 2.9Å
186A37.5Very low39.9Very low92 Ų92143.6 Ų143.676%0.7673%0.734SS**THydrogen-bonded Turntrans-95.57.2-170.700000115P184P184-A186 PolarHBondContact O-N 2.74Å
187L39.3Very low40.5Very low178 Ų178140.5 Ų140.593%0.93272%0.721SS**  trans-115.449.6168.4-144.9105.7000110.3
188R36Very low40.7Very low216 Ų216141.8 Ų141.882%0.81573%0.726SS**  trans-84.8139.5156.8-77.8179.4173.9170-1.8106.4
189D38.1Very low41.1Very low142 Ų142141 Ų14176%0.75972%0.72SS**  trans86.677.6167.1-146.129.3000115.5
190Y43.6Very low41.6Very low210 Ų210137.7 Ų137.782%0.82471%0.707SS**  -164.6128.8116.6-93.3-76.2000105.2E192Y190-E192 VanDerWaalsContact C-N 3.25Å; Y190-E192 PolarHBondContact O-N 3.14Å
191G43.9Very low42Very low82 Ų82136.6 Ų136.685%0.84570%0.696SS**  trans-62.981.4-177.800000112.2D193G191-D193 PolarHBondContact O-N 3.37Å
192E44.1Very low42.4Very low99 Ų99138.9 Ų138.946%0.46370%0.695SS.*  trans-79.5104.8162.7-70.3-161.5157.800107.4Y190 V194 R200Y190-E192 VanDerWaalsContact C-N 3.25Å; Y190-E192 PolarHBondContact O-N 3.14Å; E192-V194 PolarHBondContact O-N 3.24Å; E192-R200 IonicContact OE1-CZ 3.22Å; E192-R200 IonicContact OE1-NH1 2.86Å; E192-R200 PolarHBondContact OE1-NH1 3.21Å; E192-R200 IonicContact OE1-NH2 2.71Å; E192-R200 PolarHBondContact OE1-NH2 3.35Å; E192-R200 IonicContact OE2-CZ 3.75Å; E192-R200 IonicContact OE2-NH1 2.86Å; E192-R200 PolarHBondContact OE2-NH1 3.41Å; E192-R200 IonicContact OE2-NH2 3.96Å
193D47Very low42.5Very low114 Ų114135.7 Ų135.761%0.6170%0.695SS**  trans-47.8133.3171.5-63.3-56.8000109.8G191 E195 S196G191-D193 PolarHBondContact O-N 3.37Å; D193-E195 PolarHBondContact O-N 2.99Å; D193-S196 WeakPolarHBondContact O-CB 3.39Å; D193-S196 PolarHBondContact O-N 3.49Å
194V50.5Low42.4Very low122 Ų122128.1 Ų128.174%0.73968%0.678SS**Hα-helixtrans-51.2-25.6175.7-88.70000112.7E192 I197 W198E192-V194 PolarHBondContact O-N 3.24Å; V194-I197 PolarHBondContact O-N 3.19Å; V194-W198 PolarHBondContact O-N 3.26Å
195E45.3Very low42.4Very low137 Ų137134.1 Ų134.164%0.6469%0.687SS**Hα-helixtrans-66.4-37.4172.7-112.7-172.2151.800113.3D193 I197 W198 K199D193-E195 PolarHBondContact O-N 2.99Å; E195-I197 VanDerWaalsContact C-N 3.29Å; E195-I197 PolarHBondContact O-N 2.86Å; E195-W198 PolarHBondContact O-N 2.74Å; E195-K199 WeakPolarHBondContact O-CG 3.43Å; E195-K199 PolarHBondContact O-N 3.06Å
196S48.8Very low41.9Very low52 Ų52136.8 Ų136.836%0.36470%0.697SS.*Hα-helixtrans-68.1-30.2178.6-68.20000112.2D193 W198 K199 R200D193-S196 WeakPolarHBondContact O-CB 3.39Å; D193-S196 PolarHBondContact O-N 3.49Å; S196-W198 VanDerWaalsContact C-N 3.35Å; S196-K199 PolarHBondContact O-N 2.85Å; S196-R200 PolarHBondContact O-N 3.11Å
197I46.5Very low41.7Very low99 Ų99136.9 Ų136.951%0.50869%0.692SS.*Hα-helixtrans-66.5-40.3174.2-60.8171.5000110.3V194 E195V194-I197 PolarHBondContact O-N 3.19Å; E195-I197 VanDerWaalsContact C-N 3.29Å; E195-I197 PolarHBondContact O-N 2.86Å
198W39.4Very low41.3Very low232 Ų232134.9 Ų134.988%0.87969%0.687SS**Hα-helixtrans-70.3-32.3174.7-105.575.9000112.7V194 E195 S196V194-W198 PolarHBondContact O-N 3.26Å; E195-W198 PolarHBondContact O-N 2.74Å; S196-W198 VanDerWaalsContact C-N 3.35Å
199K44.7Very low41Very low169 Ų169133 Ų13374%0.73569%0.685SS**Hα-helixtrans-81.6-22.7177.7-67.4-160.1-172.1-1730114.3E195 S196 G201E195-K199 WeakPolarHBondContact O-CG 3.43Å; E195-K199 PolarHBondContact O-N 3.06Å; S196-K199 PolarHBondContact O-N 2.85Å; K199-G201 PolarHBondContact O-N 2.87Å
200R44.9Very low40.5Very low150 Ų150129.9 Ų129.957%0.56669%0.687SS**SBendtrans-71.873.7161-75.1-175.3-172.9149.95.1107.5E192 S196 F202E192-R200 IonicContact OE1-CZ 3.22Å; E192-R200 IonicContact OE1-NH1 2.86Å; E192-R200 PolarHBondContact OE1-NH1 3.21Å; E192-R200 IonicContact OE1-NH2 2.71Å; E192-R200 PolarHBondContact OE1-NH2 3.35Å; E192-R200 IonicContact OE2-CZ 3.75Å; E192-R200 IonicContact OE2-NH1 2.86Å; E192-R200 PolarHBondContact OE2-NH1 3.41Å; E192-R200 IonicContact OE2-NH2 3.96Å; S196-R200 PolarHBondContact O-N 3.11Å; R200-F202 PolarHBondContact O-N 3.43Å; R200-F202 VanDerWaalsContact O-N 3.13Å
201G41.4Very low40.1Very low54 Ų54124 Ų12456%0.55768%0.676SS**  trans-42.6124.7172.300000108.2K199 V203K199-G201 PolarHBondContact O-N 2.87Å; G201-V203 PolarHBondContact O-N 2.84Å
202F44.6Very low39.5Very low183 Ų183124.1 Ų124.180%0.80366%0.664SS**  trans-28.495.4-174.4-179.7-100.8000111R200 S204R200-F202 PolarHBondContact O-N 3.43Å; R200-F202 VanDerWaalsContact O-N 3.13Å; F202-S204 PolarHBondContact O-N 2.83Å
203V37.8Very low38.8Very low122 Ų122130.5 Ų130.574%0.73968%0.684SS**  trans-72.195.7175-179.60000103.6G201 R205G201-V203 PolarHBondContact O-N 2.84Å; V203-R205 VanDerWaalsContact C-N 3.26Å; V203-R205 PolarHBondContact O-N 2.86Å
204S38.3Very low38.3Very low73 Ų73133.2 Ų133.251%0.5170%0.698SS.*  trans-48.798171-68.10000107F202 T206F202-S204 PolarHBondContact O-N 2.83Å; S204-T206 PolarHBondContact O-N 3.26Å
205R37Very low37.5Very low227 Ų227132.9 Ų132.986%0.85770%0.696SS**  trans-65.493.2165.8-171.7178.4-67.3-123.60.5103.2V203 S207V203-R205 VanDerWaalsContact C-N 3.26Å; V203-R205 PolarHBondContact O-N 2.86Å; R205-S207 PolarHBondContact O-N 3.13Å
206T32Very low37Very low120 Ų120132.3 Ų132.374%0.73671%0.706SS**  trans-64.877.3169.149.80000105.8S204 T208S204-T206 PolarHBondContact O-N 3.26Å; T206-T208 PolarHBondContact O-N 3.15Å
207S32.5Very low36.1Very low93 Ų93137.7 Ų137.765%0.6573%0.729SS**  trans-66.499.9164.260.60000104.8R205 F209R205-S207 PolarHBondContact O-N 3.13Å; S207-F209 PolarHBondContact O-N 3.48Å
208T30.1Very low35.5Very low136 Ų136137.9 Ų137.983%0.83474%0.74SS**  trans-52.679.5156.847.30000107.9T206T206-T208 PolarHBondContact O-N 3.15Å
209F29.7Very low35.5Very low177 Ų177136.2 Ų136.278%0.77674%0.742SS**  trans-112.488.8162.7-142.8-95.2000105.7S207 S211S207-F209 PolarHBondContact O-N 3.48Å; F209-S211 PolarHBondContact O-N 3.42Å; F209-S211 VanDerWaalsContact O-N 3.13Å
210G28.3Very low35.1Very low76 Ų76132.5 Ų132.578%0.78474%0.737SS**  trans-53.6117.5156.200000107.1
211S35.2Very low35Very low86 Ų86132.8 Ų132.860%0.60175%0.745SS**  trans-135.9105.3160-156.70000108.4F209F209-S211 PolarHBondContact O-N 3.42Å; F209-S211 VanDerWaalsContact O-N 3.13Å
212S32.1Very low34.7Very low85 Ų85137.5 Ų137.559%0.59476%0.756SS**  trans55.9100.3135.658.90000117.2L214S212-L214 PolarHBondContact O-N 2.8Å
213R28.9Very low34.5Very low233 Ų233132.6 Ų132.688%0.87975%0.745SS**  23.380.7120.8-79-175.9-94.4-179.4-7.4114T215R213-T215 VanDerWaalsContact C-N 3.29Å; R213-T215 PolarHBondContact O-N 2.64Å
214L36.7Very low34.7Very low172 Ų172133.9 Ų133.990%0.90175%0.747SS**  trans-89.284.8149.3-71.8170.2000106.1S212 C216S212-L214 PolarHBondContact O-N 2.8Å; L214-C216 PolarHBondContact O-N 3.29Å
215T32.8Very low35.5Very low115 Ų115138.2 Ų138.271%0.70676%0.759SS**  trans-56.5105.9158.342.90000106.7R213 L217R213-T215 VanDerWaalsContact C-N 3.29Å; R213-T215 PolarHBondContact O-N 2.64Å; T215-L217 PolarHBondContact O-N 3.43Å; T215-L217 VanDerWaalsContact O-N 3.11Å
216C34.7Very low36.3Very low124 Ų124132.7 Ų132.784%0.83875%0.753SS**  trans-61.9116167.148.90000107.2L214 S218L214-C216 PolarHBondContact O-N 3.29Å; C216-S218 PolarHBondContact O-N 3.26Å
217L30.2Very low37.5Very low165 Ų165132.8 Ų132.886%0.86475%0.748SS**  trans-59.1118.8178.1-153.568.9000107.5T215 Q219T215-L217 PolarHBondContact O-N 3.43Å; T215-L217 VanDerWaalsContact O-N 3.11Å; L217-Q219 PolarHBondContact O-N 2.93Å
218S35.4Very low38.4Very low104 Ų104136.1 Ų136.173%0.72776%0.758SS**  trans-49.398.7168.8172.30000109.1C216 S220C216-S218 PolarHBondContact O-N 3.26Å; S218-S220 PolarHBondContact O-N 3.36Å; S218-S220 VanDerWaalsContact O-N 3.15Å
219Q39Very low39.8Very low197 Ų197137.4 Ų137.492%0.92175%0.752SS**  trans-85.879.8167.5-149.317455.200106.5L217L217-Q219 PolarHBondContact O-N 2.93Å
220S35.8Very low41.2Very low90 Ų90134.7 Ų134.763%0.62975%0.752SS**  trans-61.7145.8164.1520000109.9S218S218-S220 PolarHBondContact O-N 3.36Å; S218-S220 VanDerWaalsContact O-N 3.15Å
221Q42.7Very low42.6Very low156 Ų156134.6 Ų134.673%0.72975%0.751SS**  trans77.568.2164.4-63-78.48.600116.2S223Q221-S223 PolarHBondContact OE1-OG 3.47Å
222L35.6Very low44.1Very low154 Ų154136.7 Ų136.781%0.80676%0.76SS**  trans-103.587.8139.9-155.477.4000107.4L224L222-L224 HydrophobicContact CD2-CD1 4.24Å; L222-L224 PolarHBondContact O-N 3.09Å
223S38.8Very low45.7Very low80 Ų80137.8 Ų137.856%0.55977%0.765SS**  trans-65.997.9171.1-25.70000107.1Q221 E225Q221-S223 PolarHBondContact OE1-OG 3.47Å; S223-E225 PolarHBondContact O-N 3.47Å
224L42.9Very low47.5Very low148 Ų148130.3 Ų130.378%0.77576%0.76SS**  trans-71.896.8168.9-86.493.4000108.1L222 P226L222-L224 HydrophobicContact CD2-CD1 4.24Å; L222-L224 PolarHBondContact O-N 3.09Å; L224-P226 WeakPolarHBondContact O-CD 3.46Å
225E55.9Low49.1Very low164 Ų164131.1 Ų131.177%0.76676%0.759SS**  trans-56.9119.6164.2-75.6-87.1118.100109.5S223 N227S223-E225 PolarHBondContact O-N 3.47Å; E225-N227 VanDerWaalsContact C-N 3.3Å; E225-N227 PolarHBondContact O-N 3.37Å
226P54Low51.3Low112 Ų112136.7 Ų136.773%0.72777%0.767SS**  trans-83.274.2-179.234.3-33.7000109.7L224 L228L224-P226 WeakPolarHBondContact O-CD 3.46Å; P226-L228 PolarHBondContact O-N 3.34Å
227N55.3Low53.5Low121 Ų121136.9 Ų136.965%0.64777%0.767SS**  trans-90.264.1166.8-136.8-73.8000109.5E225 K229E225-N227 VanDerWaalsContact C-N 3.3Å; E225-N227 PolarHBondContact O-N 3.37Å; N227-K229 PolarHBondContact O-N 3.49Å; N227-K229 WeakPolarHBondContact OD1-CE 3.35Å; N227-K229 WeakPolarHBondContact OD1-CG 3.43Å
228L51.8Low56Low163 Ų163137.7 Ų137.785%0.85376%0.764SS**  trans-68.183.6163.6-99.286.7000107.7P226P226-L228 PolarHBondContact O-N 3.34Å
229K59.6Low58.1Low164 Ų164139.5 Ų139.571%0.71377%0.765SS**  trans-65.9126.9159.8-68.2-179.4-179174.30106.6N227 G231N227-K229 PolarHBondContact O-N 3.49Å; N227-K229 WeakPolarHBondContact OD1-CE 3.35Å; N227-K229 WeakPolarHBondContact OD1-CG 3.43Å; K229-G231 PolarHBondContact O-N 3Å
230P59.5Low60.2Low120 Ų120136.5 Ų136.578%0.77976%0.755SS**  trans-58.2113.1178.323.1-31.3000107.7V232P230-V232 PolarHBondContact O-N 3.07Å
231G57.6Low62.4Low73 Ų73138.9 Ų138.975%0.75376%0.76SS**  trans-57.3111.1176.500000108K229K229-G231 PolarHBondContact O-N 3Å
232V67.3Low64.1Low131 Ų131138.5 Ų138.579%0.79476%0.762SS**  trans-55.4124.2168.8-175.70000105.6P230 G234P230-V232 PolarHBondContact O-N 3.07Å; V232-G234 PolarHBondContact O-N 3.14Å
233P65.6Low66.2Low108 Ų108136.4 Ų136.470%0.70176%0.758SS**  trans-56.6116.4-179.923.1-32.4000107.2E235P233-E235 PolarHBondContact O-N 3.14Å
234G66.4Low67.7Low75 Ų75144.8 Ų144.877%0.77378%0.777SS**  trans-57.5104.7178.700000108.7V232 R236V232-G234 PolarHBondContact O-N 3.14Å; G234-R236 PolarHBondContact O-N 3.39Å
235E70.6Confident69.2Low189 Ų189142.4 Ų142.488%0.88377%0.772SS**PPolyproline II helixtrans-64.4122.4175-79.2-170.1153.500108.1P233P233-E235 PolarHBondContact O-N 3.14Å
236R79.3Confident69.7Low232 Ų232138 Ų13888%0.87577%0.765SS**PPolyproline II helixtrans-61.9133.3174.2-72.3180175.6174.6-0.9108.4G234 K238G234-R236 PolarHBondContact O-N 3.39Å; R236-K238 PolarHBondContact O-N 3.42Å; R236-K238 VanDerWaalsContact O-N 3.13Å
237P80.5Confident70.3Confident128 Ų128138.6 Ų138.683%0.83177%0.768SS**PPolyproline II helixtrans-57.3121.6-179.322.1-32000109.8L239P237-L239 PolarHBondContact O-N 3.31Å
238K82.7Confident70.7Confident182 Ų182143.4 Ų143.479%0.79178%0.777SS**PPolyproline II helixtrans-69.2116.2179.8-173.5136.6-179.6175.60109.3R236 N240R236-K238 PolarHBondContact O-N 3.42Å; R236-K238 VanDerWaalsContact O-N 3.13Å; K238-N240 PolarHBondContact O-N 3.19Å
239L79.8Confident71.2Confident143 Ų143143 Ų14375%0.74978%0.776SS**  trans-72.1100.2176.8-169.775.1000109.1P237 L241P237-L239 PolarHBondContact O-N 3.31Å; L239-L241 HydrophobicContact CD2-CD2 3.58Å; L239-L241 HydrophobicContact CD2-CG 4.24Å; L239-L241 HydrophobicContact CG-CD2 3.97Å; L239-L241 HydrophobicContact CG-CG 4.42Å; L239-L241 PolarHBondContact O-N 3.48Å; L239-L241 VanDerWaalsContact O-N 3.07Å
240N82.9Confident71.2Confident133 Ų133143.6 Ų143.671%0.71179%0.786SS**  trans-77.790.5175.3-65.2-33.1000109.1K238 L242K238-N240 PolarHBondContact O-N 3.19Å; N240-L242 PolarHBondContact O-N 2.95Å
241L80.5Confident71.1Confident140 Ų140145 Ų14573%0.73379%0.787SS**PPolyproline II helixtrans-69.3119.6174.4-63.1175.7000109.4L239L239-L241 HydrophobicContact CD2-CD2 3.58Å; L239-L241 HydrophobicContact CD2-CG 4.24Å; L239-L241 HydrophobicContact CG-CD2 3.97Å; L239-L241 HydrophobicContact CG-CG 4.42Å; L239-L241 PolarHBondContact O-N 3.48Å; L239-L241 VanDerWaalsContact O-N 3.07Å
242L79.5Confident71.1Confident148 Ų148150.1 Ų150.178%0.77579%0.791SS**PPolyproline II helixtrans-68.3145.1166.8-76.388000109.6N240 R244N240-L242 PolarHBondContact O-N 2.95Å; L242-R244 PolarHBondContact O-N 2.91Å
243P80.5Confident70.6Confident111 Ų111150.6 Ų150.672%0.72179%0.789SS**PPolyproline II helixtrans-57.2132.7173.824.6-33.3000109.7S245P243-S245 PolarHBondContact O-N 2.75Å; P243-S245 VanDerWaalsContact O-N 3.08Å
244R69Low70.1Confident256 Ų256151.5 Ų151.597%0.96680%0.797SS**SBendtrans-73.64.5-170.8-77.2-178.4166-173.7-4115.2L242L242-R244 PolarHBondContact O-N 2.91Å
245S75.6Confident69.6Low97 Ų97151.4 Ų151.468%0.67880%0.796SS**  trans-112.489.9176.557.60000110.1P243P243-S245 PolarHBondContact O-N 2.75Å; P243-S245 VanDerWaalsContact O-N 3.08Å
246A65.8Low69.1Low73 Ų73152.5 Ų152.560%0.60379%0.792SS**  trans-61.3134.7152.100000107.2R248A246-R248 PolarHBondContact O-N 3.44Å
247P67.1Low68.3Low124 Ų124148.5 Ų148.581%0.80579%0.789SS**  trans-58.8105.4170.625.5-31.4000106.6D249P247-D249 PolarHBondContact O-N 3.34Å
248R63.1Low67.7Low222 Ų222148.3 Ų148.384%0.83879%0.79SS**  trans-77.1115.6177.3-69.4-176.5178.5-177.2-1.2106.4A246 L250A246-R248 PolarHBondContact O-N 3.44Å; R248-L250 PolarHBondContact O-N 3Å
249D62.7Low67.4Low153 Ų153145.8 Ų145.882%0.81878%0.779SS**  trans-52.2123.6172.1-68-51.7000109.3P247 N251P247-D249 PolarHBondContact O-N 3.34Å; D249-N251 PolarHBondContact O-N 3.31Å
250L60Low67.2Low178 Ų178144.9 Ų144.993%0.93278%0.779SS**THydrogen-bonded Turntrans-72.812.1-162.4-115.4155.3000114.5R248R248-L250 PolarHBondContact O-N 3Å
251N57.5Low66.7Low148 Ų148147.2 Ų147.279%0.79178%0.783SS**THydrogen-bonded Turntrans-109.82.7-161-153.733.1000117.1D249D249-N251 PolarHBondContact O-N 3.31Å
252E56.7Low66.6Low182 Ų182142.8 Ų142.885%0.8577%0.772SS**SBendtrans-117.810.4-172.9-72.8-165.1166.400117.2
253L56.9Low66.8Low141 Ų141143.3 Ų143.374%0.73877%0.77SS**  trans-110.842178.8-59.1179.9000113.3G255L253-G255 VanDerWaalsContact C-N 3.29Å; L253-G255 PolarHBondContact O-N 3.48Å
254S54.7Low66.8Low126 Ų126141.9 Ų141.988%0.88177%0.768SS**THydrogen-bonded Turntrans-79.91.6179.6-171.70000115
255G56.4Low67.5Low73 Ų73140.5 Ų140.575%0.75376%0.763SS**THydrogen-bonded Turntrans-118.6-2.6-16700000118L253L253-G255 VanDerWaalsContact C-N 3.29Å; L253-G255 PolarHBondContact O-N 3.48Å
256R59.3Low67.8Low212 Ų212141.2 Ų141.280%0.877%0.765SS**SBendtrans-100.7112.6-174.6-71.7-177.1176.7149.81.2110.5S258R256-S258 PolarHBondContact O-N 3.42Å
257N63.5Low68.6Low149 Ų149143.7 Ų143.780%0.79777%0.772SS**  trans-21.3111.8174.4-75.3-43.6000112.7K259N257-K259 PolarHBondContact O-N 2.98Å
258S66.6Low69.3Low124 Ų124143.8 Ų143.887%0.86777%0.766SS**SBendtrans-66.69.6-174.3520000115.1R256R256-S258 PolarHBondContact O-N 3.42Å
259K78.3Confident70.3Confident128 Ų128138 Ų13856%0.55776%0.755SS**  trans-115.966.8175.5-81176173.9-176.80110.4N257 F261 E263N257-K259 PolarHBondContact O-N 2.98Å; K259-F261 PolarHBondContact O-N 3.09Å; K259-E263 IonicContact NZ-OE1 3.62Å; K259-E263 PolarHBondContact NZ-OE1 3.26Å
260V75Confident71.5Confident124 Ų124133.7 Ų133.775%0.75274%0.741SS**THydrogen-bonded Turntrans-68.6-22.7178.5-141.30000112.4
261F71.2Confident72.5Confident182 Ų182129.4 Ų129.480%0.79873%0.726SS**THydrogen-bonded Turntrans-114.820.9-178-60.8-72.2000113.4K259K259-F261 PolarHBondContact O-N 3.09Å
262G79.3Confident73.8Confident47 Ų47128.9 Ų128.949%0.48572%0.717SS.*THydrogen-bonded Turntrans63.9-161-175.100000112.1A264G262-A264 PolarHBondContact O-N 3.06Å
263E84.6Confident75.2Confident159 Ų159123 Ų12374%0.74370%0.696SS**THydrogen-bonded Turntrans-82.312.3-178.2-52.1-150.613400113.7K259 R265K259-E263 IonicContact NZ-OE1 3.62Å; K259-E263 PolarHBondContact NZ-OE1 3.26Å; E263-R265 PolarHBondContact O-N 3.45Å; E263-R265 VanDerWaalsContact O-N 3.13Å
264A80.3Confident76.5Confident81 Ų81124.9 Ų124.967%0.66969%0.693SS**  trans-64.8115.1-177.700000110.5G262G262-A264 PolarHBondContact O-N 3.06Å
265R82.3Confident78.1Confident228 Ų228122.6 Ų122.686%0.8667%0.668SS**PPolyproline II helixtrans-79140169-66.5-173.9179.2-177.20.2109.1E263 V267E263-R265 PolarHBondContact O-N 3.45Å; E263-R265 VanDerWaalsContact O-N 3.13Å; R265-V267 PolarHBondContact O-N 2.97Å
266P82.8Confident79.5Confident112 Ų112122.6 Ų122.673%0.72765%0.654SS**PPolyproline II helixtrans-56.4141.1174.424.5-32.5000109.8D268P266-D268 PolarHBondContact O-N 2.96Å
267V81.3Confident80.7Confident124 Ų124118.3 Ų118.375%0.75264%0.643SS**PPolyproline II helixtrans-71.1125176.3176.90000108.2R265 T269R265-V267 PolarHBondContact O-N 2.97Å; V267-T269 HydrophobicContact CB-CG2 4.41Å; V267-T269 HydrophobicContact CG1-CG2 4.03Å; V267-T269 PolarHBondContact O-N 2.89Å
268D83.6Confident81.8Confident127 Ų127117.6 Ų117.668%0.67964%0.635SS**  trans-72.968.8178.1-67.2-41.7000111.6P266 A270 S271P266-D268 PolarHBondContact O-N 2.96Å; D268-A270 PolarHBondContact O-N 3.34Å; D268-S271 PolarHBondContact O-N 2.95Å
269T83.3Confident82.6Confident99 Ų99119.1 Ų119.161%0.60762%0.621SS**Hα-helixtrans-64.1-24.3178.2560000112.7V267 S271 K272 S273V267-T269 HydrophobicContact CB-CG2 4.41Å; V267-T269 HydrophobicContact CG1-CG2 4.03Å; V267-T269 PolarHBondContact O-N 2.89Å; T269-S271 VanDerWaalsContact C-N 3.31Å; T269-S271 PolarHBondContact O-N 3.01Å; T269-K272 WeakPolarHBondContact O-CB 3.39Å; T269-K272 PolarHBondContact O-N 3.46Å; T269-K272 VanDerWaalsContact O-N 3.09Å; T269-S273 PolarHBondContact O-N 3.43Å
270A87Confident82.6Confident64 Ų64117.8 Ų117.853%0.52962%0.62SS.*Hα-helixtrans-61.8-34.6179.500000113.4D268 K272 S273 R274D268-A270 PolarHBondContact O-N 3.34Å; A270-K272 VanDerWaalsContact C-N 3.33Å; A270-S273 PolarHBondContact O-OG 2.71Å; A270-S273 VanDerWaalsContact O-OG 3.06Å; A270-R274 PolarHBondContact O-N 3.41Å
271S82.7Confident82.7Confident87 Ų87115.4 Ų115.461%0.60861%0.606SS**Hα-helixtrans-69.2-36.5175.4-610000111D268 T269 E275D268-S271 PolarHBondContact O-N 2.95Å; T269-S271 VanDerWaalsContact C-N 3.31Å; T269-S271 PolarHBondContact O-N 3.01Å; S271-E275 PolarHBondContact O-N 3.26Å
272K83.2Confident83Confident138 Ų138109 Ų10960%0.659%0.586SS**Hα-helixtrans-72-41.8179.2-160.477.9178.2-179.40112T269 A270 R274 E275 V276T269-K272 WeakPolarHBondContact O-CB 3.39Å; T269-K272 PolarHBondContact O-N 3.46Å; T269-K272 VanDerWaalsContact O-N 3.09Å; A270-K272 VanDerWaalsContact C-N 3.33Å; K272-R274 VanDerWaalsContact C-N 3.33Å; K272-R274 PolarHBondContact O-N 2.77Å; K272-E275 PolarHBondContact O-N 3.42Å; K272-V276 WeakPolarHBondContact O-CG2 3.36Å; K272-V276 PolarHBondContact O-N 3.31Å
273S87.1Confident82.8Confident58 Ų58110.4 Ų110.441%0.40659%0.586SS.*Hα-helixtrans-64.1-38.3179.361.10000112.1T269 A270 E275 V276 E277T269-S273 PolarHBondContact O-N 3.43Å; A270-S273 PolarHBondContact O-OG 2.71Å; A270-S273 VanDerWaalsContact O-OG 3.06Å; S273-E275 PolarHBondContact O-N 3.11Å; S273-V276 PolarHBondContact O-N 2.79Å; S273-E277 WeakPolarHBondContact O-CG 3.34Å; S273-E277 PolarHBondContact O-N 3.2Å
274R84.6Confident82.4Confident181 Ų181107.7 Ų107.768%0.68358%0.576SS**Hα-helixtrans-62.2-40.9175.7-83-174.6170.1-175.9-1.4113.5A270 K272 V276 E277 Q278A270-R274 PolarHBondContact O-N 3.41Å; K272-R274 VanDerWaalsContact C-N 3.33Å; K272-R274 PolarHBondContact O-N 2.77Å; R274-V276 VanDerWaalsContact C-N 3.32Å; R274-E277 PolarHBondContact O-N 2.92Å; R274-Q278 WeakPolarHBondContact O-CG 3.43Å; R274-Q278 PolarHBondContact O-N 2.91Å
275E87.4Confident81.8Confident78 Ų78110.2 Ų110.236%0.36457%0.574SS.*Hα-helixtrans-66.3-37.9178.4-170.2-174163.200111.4S271 K272 S273 Q278 R279S271-E275 PolarHBondContact O-N 3.26Å; K272-E275 PolarHBondContact O-N 3.42Å; S273-E275 PolarHBondContact O-N 3.11Å; E275-Q278 PolarHBondContact O-N 3.03Å; E275-R279 PolarHBondContact O-N 3.22Å; E275-R279 VanDerWaalsContact O-N 3.14Å; E275-R279 IonicContact OE1-CZ 2.71Å; E275-R279 VanDerWaalsContact OE1-CZ 3.28Å; E275-R279 IonicContact OE1-NH1 2.69Å; E275-R279 IonicContact OE1-NH2 3.28Å; E275-R279 PolarHBondContact OE1-NH2 3.48Å
276V87.1Confident81Confident73 Ų73103.6 Ų103.644%0.44256%0.559SS.*Hα-helixtrans-66.6-44178.2175.60000111K272 S273 R274 Q278 R279 L280K272-V276 WeakPolarHBondContact O-CG2 3.36Å; K272-V276 PolarHBondContact O-N 3.31Å; S273-V276 PolarHBondContact O-N 2.79Å; R274-V276 VanDerWaalsContact C-N 3.32Å; V276-Q278 VanDerWaalsContact C-N 3.31Å; V276-Q278 PolarHBondContact O-N 2.69Å; V276-R279 PolarHBondContact O-N 3.39Å; V276-R279 VanDerWaalsContact O-N 3.14Å; V276-L280 HydrophobicContact CG1-CD1 4.22Å; V276-L280 HydrophobicContact CG1-CG 4.46Å; V276-L280 WeakPolarHBondContact O-CG 3.42Å; V276-L280 PolarHBondContact O-N 3.14Å
277E83.9Confident80.2Confident122 Ų122101.6 Ų101.657%0.5755%0.548SS*.Hα-helixtrans-58.9-42.1176.2-73.4173.3-174.300111.9S273 R274 R279 L280 T281S273-E277 WeakPolarHBondContact O-CG 3.34Å; S273-E277 PolarHBondContact O-N 3.2Å; R274-E277 PolarHBondContact O-N 2.92Å; E277-R279 VanDerWaalsContact C-N 3.32Å; E277-R279 PolarHBondContact O-N 3.35Å; E277-L280 PolarHBondContact O-N 3.1Å; E277-T281 WeakPolarHBondContact O-CG2 3.2Å; E277-T281 PolarHBondContact O-N 3.03Å; E277-T281 PolarHBondContact O-OG1 3.42Å
278Q86.7Confident79.3Confident134 Ų13499.9 Ų99.963%0.62654%0.537SS*.Hα-helixtrans-64.3-34.8176.5-70.9177.74.500113R274 E275 V276 T281 A282R274-Q278 WeakPolarHBondContact O-CG 3.43Å; R274-Q278 PolarHBondContact O-N 2.91Å; E275-Q278 PolarHBondContact O-N 3.03Å; V276-Q278 VanDerWaalsContact C-N 3.31Å; V276-Q278 PolarHBondContact O-N 2.69Å; Q278-T281 PolarHBondContact O-OG1 2.94Å; Q278-T281 VanDerWaalsContact O-OG1 3.06Å; Q278-A282 WeakPolarHBondContact O-CB 3.32Å; Q278-A282 PolarHBondContact O-N 3.3Å; Q278-A282 VanDerWaalsContact O-N 3.09Å
279R83.4Confident78.4Confident155 Ų155101.9 Ų101.959%0.58554%0.54SS*.Hα-helixtrans-70.5-40.2175.5-75.8-173.3178.5143.811.1112.3E275 V276 E277 A282 T283E275-R279 PolarHBondContact O-N 3.22Å; E275-R279 VanDerWaalsContact O-N 3.14Å; E275-R279 IonicContact OE1-CZ 2.71Å; E275-R279 VanDerWaalsContact OE1-CZ 3.28Å; E275-R279 IonicContact OE1-NH1 2.69Å; E275-R279 IonicContact OE1-NH2 3.28Å; E275-R279 PolarHBondContact OE1-NH2 3.48Å; V276-R279 PolarHBondContact O-N 3.39Å; V276-R279 VanDerWaalsContact O-N 3.14Å; E277-R279 VanDerWaalsContact C-N 3.32Å; E277-R279 PolarHBondContact O-N 3.35Å; R279-A282 PolarHBondContact O-N 3.48Å; R279-T283 WeakPolarHBondContact O-CB 3.38Å; R279-T283 WeakPolarHBondContact O-CG2 3.5Å; R279-T283 PolarHBondContact O-N 2.88Å; R279-T283 PolarHBondContact O-OG1 2.93Å
280L78Confident77.3Confident100 Ų100101.6 Ų101.652%0.52454%0.542SS..Hα-helixtrans-64.5-43.8176.9-66.7176.5000110.7V276 E277 A282 T283 D284V276-L280 HydrophobicContact CG1-CD1 4.22Å; V276-L280 HydrophobicContact CG1-CG 4.46Å; V276-L280 WeakPolarHBondContact O-CG 3.42Å; V276-L280 PolarHBondContact O-N 3.14Å; E277-L280 PolarHBondContact O-N 3.1Å; L280-A282 PolarHBondContact O-N 2.76Å; L280-T283 WeakPolarHBondContact CA-OG1 3.42Å; L280-T283 PolarHBondContact O-N 3.18Å; L280-T283 PolarHBondContact O-OG1 3.46Å; L280-D284 WeakPolarHBondContact O-CB 3.32Å; L280-D284 VanDerWaalsContact O-CG 3.22Å; L280-D284 PolarHBondContact O-N 2.87Å
281T77.3Confident76.2Confident75 Ų75103.5 Ų103.546%0.4655%0.548SS..Hα-helixtrans-66.6-37.8177.9580000113E277 Q278 Q285E277-T281 WeakPolarHBondContact O-CG2 3.2Å; E277-T281 PolarHBondContact O-N 3.03Å; E277-T281 PolarHBondContact O-OG1 3.42Å; Q278-T281 PolarHBondContact O-OG1 2.94Å; Q278-T281 VanDerWaalsContact O-OG1 3.06Å; T281-Q285 WeakPolarHBondContact O-CB 3.35Å; T281-Q285 WeakPolarHBondContact O-CG 3.35Å; T281-Q285 PolarHBondContact O-N 3.49Å
282A78.3Confident75Confident47 Ų47106.3 Ų106.339%0.38856%0.556SS.*Hα-helixtrans-69.1-36.9176.600000112.7Q278 R279 L280 T286Q278-A282 WeakPolarHBondContact O-CB 3.32Å; Q278-A282 PolarHBondContact O-N 3.3Å; Q278-A282 VanDerWaalsContact O-N 3.09Å; R279-A282 PolarHBondContact O-N 3.48Å; L280-A282 PolarHBondContact O-N 2.76Å; A282-T286 WeakPolarHBondContact O-CG2 3.3Å; A282-T286 PolarHBondContact O-N 3.38Å; A282-T286 PolarHBondContact O-OG1 3.5Å
283T73.9Confident73.6Confident77 Ų77110.1 Ų110.147%0.47258%0.581SS.*Hα-helixtrans-69.8-42.2175.744.70000111.5R279 L280 Q285 T286 S287R279-T283 WeakPolarHBondContact O-CB 3.38Å; R279-T283 WeakPolarHBondContact O-CG2 3.5Å; R279-T283 PolarHBondContact O-N 2.88Å; R279-T283 PolarHBondContact O-OG1 2.93Å; L280-T283 WeakPolarHBondContact CA-OG1 3.42Å; L280-T283 PolarHBondContact O-N 3.18Å; L280-T283 PolarHBondContact O-OG1 3.46Å; T283-Q285 VanDerWaalsContact C-N 3.35Å; T283-Q285 PolarHBondContact O-N 3.31Å; T283-T286 WeakPolarHBondContact CA-OG1 3.45Å; T283-T286 PolarHBondContact O-N 3.27Å; T283-T286 PolarHBondContact O-OG1 3.47Å; T283-S287 WeakPolarHBondContact O-CB 3.49Å; T283-S287 PolarHBondContact O-N 3.05Å
284D76.6Confident72.9Confident102 Ų102112.7 Ų112.755%0.54559%0.59SS.*Hα-helixtrans-61.4-42.2173.8-69.6-21000111.5L280 S287 V288L280-D284 WeakPolarHBondContact O-CB 3.32Å; L280-D284 VanDerWaalsContact O-CG 3.22Å; L280-D284 PolarHBondContact O-N 2.87Å; D284-S287 PolarHBondContact O-N 3.28Å; D284-V288 WeakPolarHBondContact O-CG2 3.46Å; D284-V288 PolarHBondContact O-N 3.09Å; D284-V288 VanDerWaalsContact O-N 3.11Å
285Q67.6Low72.3Confident134 Ų134109.1 Ų109.163%0.62659%0.585SS**Hα-helixtrans-65.6-39177.5-76.9177.96.900113.4T281 T283 V288 F289T281-Q285 WeakPolarHBondContact O-CB 3.35Å; T281-Q285 WeakPolarHBondContact O-CG 3.35Å; T281-Q285 PolarHBondContact O-N 3.49Å; T283-Q285 VanDerWaalsContact C-N 3.35Å; T283-Q285 PolarHBondContact O-N 3.31Å; Q285-V288 WeakPolarHBondContact O-CG2 3.41Å; Q285-F289 PolarHBondContact O-N 3Å
286T66.1Low71.5Confident88 Ų88110.8 Ų110.854%0.5460%0.598SS.*Hα-helixtrans-73.1-34.3177.447.70000111.9A282 T283 F289 S290A282-T286 WeakPolarHBondContact O-CG2 3.3Å; A282-T286 PolarHBondContact O-N 3.38Å; A282-T286 PolarHBondContact O-OG1 3.5Å; T283-T286 WeakPolarHBondContact CA-OG1 3.45Å; T283-T286 PolarHBondContact O-N 3.27Å; T283-T286 PolarHBondContact O-OG1 3.47Å; T286-F289 PolarHBondContact O-N 3.41Å; T286-S290 PolarHBondContact O-N 2.63Å; T286-S290 PolarHBondContact O-OG 3.46Å
287S64.4Low70.6Confident71 Ų71113.1 Ų113.150%0.49761%0.607SS.*Hα-helixtrans-64.6-42.3174.4127.40000112T283 D284 F289 S290T283-S287 WeakPolarHBondContact O-CB 3.49Å; T283-S287 PolarHBondContact O-N 3.05Å; D284-S287 PolarHBondContact O-N 3.28Å; S287-F289 VanDerWaalsContact C-N 3.33Å; S287-F289 PolarHBondContact O-N 2.81Å; S287-S290 PolarHBondContact O-N 2.93Å
288V64Low69.7Low88 Ų88112.5 Ų112.553%0.53361%0.609SS.*Hα-helixtrans-70-28.5178.4-66.70000113.1D284 Q285 T291D284-V288 WeakPolarHBondContact O-CG2 3.46Å; D284-V288 PolarHBondContact O-N 3.09Å; D284-V288 VanDerWaalsContact O-N 3.11Å; Q285-V288 WeakPolarHBondContact O-CG2 3.41Å; V288-T291 PolarHBondContact O-OG1 3.43Å
289F63.9Low68.6Low169 Ų169111.1 Ų111.174%0.74161%0.608SS**Hα-helixtrans-75.9-26.8178-145.6-90.5000112.8Q285 T286 S287 T291Q285-F289 PolarHBondContact O-N 3Å; T286-F289 PolarHBondContact O-N 3.41Å; S287-F289 VanDerWaalsContact C-N 3.33Å; S287-F289 PolarHBondContact O-N 2.81Å; F289-T291 VanDerWaalsContact C-N 3.31Å; F289-T291 PolarHBondContact O-N 3.42Å
290S60.2Low67.5Low93 Ų93107.9 Ų107.965%0.6561%0.609SS**THydrogen-bonded Turntrans-83.3-2.3-176.5-48.20000114.2T286 S287T286-S290 PolarHBondContact O-N 2.63Å; T286-S290 PolarHBondContact O-OG 3.46Å; S287-S290 PolarHBondContact O-N 2.93Å
291T64.5Low66.7Low104 Ų104108.5 Ų108.564%0.63862%0.616SS**THydrogen-bonded Turntrans-105.8-0.4-176.752.50000114.3V288 F289V288-T291 PolarHBondContact O-OG1 3.43Å; F289-T291 VanDerWaalsContact C-N 3.31Å; F289-T291 PolarHBondContact O-N 3.42Å
292N57.6Low65.8Low145 Ų145111.3 Ų111.378%0.77563%0.629SS**  trans-118.935.6177.5-73.3-65000113.2
293L53.1Low64.7Low218 Ų218117.2 Ų117.2100%1.14165%0.651SS**  trans-123.70162.2-78.5166.9000108.1

Retrieved 293 of 293 residues in 42.2 ms (Link to these results)