Z4YMT0_MOUSE Loading...

TATA box binding protein like 2

AlphaFold DB , UniProt , Accession Z4YMT0, Species MOUSE (Mus musculus, Mouse), Gene Tbpl2, Length 348 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
1V47Very low43.2Very low175 Ų175110.7 Ų110.7100%1.06160%0.596SS**  0-48.40-1660000112.6S3V1-S3 PolarHBondContact O-N 2.88Å
2G38.7Very low43.4Very low54 Ų54104.3 Ų104.356%0.55756%0.56SS**  trans-64-25.5-171.500000118.8
3S34.9Very low43.7Very low80 Ų8099.6 Ų99.656%0.55954%0.535SS*.Hα-helixtrans-66-47.7-171.3-133.80000114.1V1 I5 M6 E7V1-S3 PolarHBondContact O-N 2.88Å; S3-I5 PolarHBondContact O-N 3.12Å; S3-I5 VanDerWaalsContact O-N 3.15Å; S3-M6 WeakPolarHBondContact O-CB 3.32Å; S3-M6 PolarHBondContact O-N 3.01Å; S3-M6 VanDerWaalsContact O-N 3.08Å; S3-E7 PolarHBondContact O-N 3.25Å
4L40Very low44Very low125 Ų125100.3 Ų100.365%0.65454%0.538SS*.Hα-helixtrans-63.1-26.7-172.7-67.7168.5000113.4E8L4-E8 PolarHBondContact O-N 3.21Å
5I43.7Very low44.1Very low103 Ų103101.1 Ų101.153%0.52854%0.535SS..Hα-helixtrans-71.5-39.2178.4-58.4172.3000110.4S3 D9S3-I5 PolarHBondContact O-N 3.12Å; S3-I5 VanDerWaalsContact O-N 3.15Å; I5-D9 PolarHBondContact O-N 3.33Å
6M40.1Very low44.1Very low133 Ų13398.5 Ų98.566%0.65552%0.521SS*.Hα-helixtrans-66.9-40.7179.1-65-74.9-68.300111.6S3 I10S3-M6 WeakPolarHBondContact O-CB 3.32Å; S3-M6 PolarHBondContact O-N 3.01Å; S3-M6 VanDerWaalsContact O-N 3.08Å; M6-I10 WeakPolarHBondContact O-CD1 3.47Å; M6-I10 VanDerWaalsContact O-CG1 3.32Å; M6-I10 WeakPolarHBondContact O-CG1 3.45Å; M6-I10 PolarHBondContact O-N 3.25Å
7E41.6Very low43.5Very low113 Ų11398.5 Ų98.553%0.52852%0.521SS..Hα-helixtrans-69.4-39.4-178-70.6165.8-173.800112.1S3 Y11S3-E7 PolarHBondContact O-N 3.25Å; E7-Y11 PolarHBondContact O-N 3.15Å
8E47.2Very low43.3Very low100 Ų10098.6 Ų98.647%0.46753%0.528SS..Hα-helixtrans-66.2-40.3174.3-76.7-168.517000113.5L4 Y11 L12 R245L4-E8 PolarHBondContact O-N 3.21Å; E8-Y11 WeakPolarHBondContact O-CB 3.47Å; E8-Y11 PolarHBondContact O-N 3.08Å; E8-L12 PolarHBondContact O-N 3.29Å; E8-R245 IonicContact OE1-NH1 3.77Å; E8-R245 IonicContact OE2-CZ 3.7Å; E8-R245 IonicContact OE2-NH1 3.59Å; E8-R245 PolarHBondContact OE2-NH1 3.05Å; E8-R245 IonicContact OE2-NH2 3.97Å; E8-R245 PolarHBondContact OE2-NH2 3.26Å
9D47.4Very low43.3Very low69 Ų69101.9 Ų101.937%0.36953%0.534SS..Hα-helixtrans-70.1-32.8-177.6-81.5-10.7000111.7I5 L12 D13 R245I5-D9 PolarHBondContact O-N 3.33Å; D9-L12 PolarHBondContact O-N 3.14Å; D9-D13 PolarHBondContact O-N 3.13Å; D9-R245 IonicContact OD1-NH2 2.71Å
10I47Very low43.3Very low108 Ų108101.8 Ų101.855%0.55454%0.537SS*.Hα-helixtrans-61.4-44.6169.1-68.5164.6000110.6M6 L12 D13 L14M6-I10 WeakPolarHBondContact O-CD1 3.47Å; M6-I10 VanDerWaalsContact O-CG1 3.32Å; M6-I10 WeakPolarHBondContact O-CG1 3.45Å; M6-I10 PolarHBondContact O-N 3.25Å; I10-L12 PolarHBondContact O-N 3.33Å; I10-D13 PolarHBondContact O-N 2.85Å; I10-L14 HydrophobicContact CG2-CD1 4.29Å; I10-L14 PolarHBondContact O-N 3.44Å
11Y48Very low43Very low158 Ų158104.7 Ų104.762%0.6255%0.552SS**Hα-helixtrans-62.4-32.1177.6-138-102.5000112.1E7 E8 F15E7-Y11 PolarHBondContact O-N 3.15Å; E8-Y11 WeakPolarHBondContact O-CB 3.47Å; E8-Y11 PolarHBondContact O-N 3.08Å; Y11-F15 HydrophobicContact CD1-CD2 4.29Å; Y11-F15 AromaticContact CD1-CE2 3.89Å; Y11-F15 HydrophobicContact CD1-CE2 3.89Å; Y11-F15 AromaticContact CE1-CE2 3.8Å; Y11-F15 HydrophobicContact CE1-CE2 3.8Å; Y11-F15 WeakPolarHBondContact O-CD2 3.47Å
12L45.1Very low42.2Very low33 Ų33105 Ų10517%0.17354%0.542CS..Hα-helixtrans-76.3-37.1-179.8-83.4166.7000114.6E8 D9 I10 F15 L16 L242E8-L12 PolarHBondContact O-N 3.29Å; D9-L12 PolarHBondContact O-N 3.14Å; I10-L12 PolarHBondContact O-N 3.33Å; L12-F15 PolarHBondContact O-N 3.21Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L242 HydrophobicContact CD2-CD1 3.95Å
13D47.6Very low41.7Very low44 Ų44109.3 Ų109.324%0.23555%0.552CS.*Hα-helixtrans-74-32174.9-76.6-41.6000111.6D9 I10 F15 L16 D17 R249 K253D9-D13 PolarHBondContact O-N 3.13Å; I10-D13 PolarHBondContact O-N 2.85Å; D13-F15 PolarHBondContact O-N 3.49Å; D13-L16 WeakPolarHBondContact O-CA 3.44Å; D13-L16 PolarHBondContact O-N 2.79Å; D13-D17 PolarHBondContact O-N 3.26Å; D13-D17 VanDerWaalsContact O-N 3.13Å; D13-R249 IonicContact OD1-CZ 2.76Å; D13-R249 IonicContact OD1-NE 2.83Å; D13-R249 IonicContact OD1-NH2 3.39Å; D13-R249 PolarHBondContact OD1-NH2 3.18Å; D13-R249 IonicContact OD2-CZ 3.86Å; D13-R249 IonicContact OD2-NH2 3.26Å; D13-R249 PolarHBondContact OD2-NH2 3.23Å; D13-K253 IonicContact OD1-NZ 2.79Å; D13-K253 PolarHBondContact OD1-NZ 3.48Å
14L47.5Very low41.5Very low109 Ų109113 Ų11357%0.57157%0.565SS**Hα-helixtrans-55.1-32169.3-85.2165000113.7I10 L16I10-L14 HydrophobicContact CG2-CD1 4.29Å; I10-L14 PolarHBondContact O-N 3.44Å; L14-L16 VanDerWaalsContact C-N 3.32Å
15F45.3Very low41.2Very low113 Ų113115.6 Ų115.650%0.49657%0.572SS.*THydrogen-bonded Turntrans-82.9-1.3174.2-88.2-70.1000114.4Y11 L12 D13Y11-F15 HydrophobicContact CD1-CD2 4.29Å; Y11-F15 AromaticContact CD1-CE2 3.89Å; Y11-F15 HydrophobicContact CD1-CE2 3.89Å; Y11-F15 AromaticContact CE1-CE2 3.8Å; Y11-F15 HydrophobicContact CE1-CE2 3.8Å; Y11-F15 WeakPolarHBondContact O-CD2 3.47Å; L12-F15 PolarHBondContact O-N 3.21Å; D13-F15 PolarHBondContact O-N 3.49Å
16L44.4Very low40.8Very low59 Ų59116.2 Ų116.231%0.30958%0.583SS.*THydrogen-bonded Turntrans-110.2-28.6-179.9-67.9173.6000113.2L12 D13 L14 P18 Y19 R249L12-L16 WeakPolarHBondContact O-CG 3.34Å; D13-L16 WeakPolarHBondContact O-CA 3.44Å; D13-L16 PolarHBondContact O-N 2.79Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L16-P18 VanDerWaalsContact C-CD 3.44Å; L16-Y19 PolarHBondContact O-N 2.64Å; L16-Y19 VanDerWaalsContact O-N 3.14Å; L16-R249 HydrophobicContact CD1-CG 4.49Å
17D34.2Very low40.5Very low99 Ų99115.6 Ų115.653%0.52959%0.588SS.*G310 helixtrans-56.5-35.9178.7-68.8-19.4000116.1D13 Y19 T20D13-D17 PolarHBondContact O-N 3.26Å; D13-D17 VanDerWaalsContact O-N 3.13Å; D17-Y19 PolarHBondContact O-N 3.27Å; D17-T20 PolarHBondContact O-N 3.03Å; D17-T20 VanDerWaalsContact O-N 3.12Å; D17-T20 PolarHBondContact O-OG1 3.3Å
18P39.4Very low40Very low99 Ų99115.2 Ų115.264%0.64361%0.605SS**G310 helixtrans-70.12.4176.728.8-36000114.4L16L16-P18 VanDerWaalsContact C-CD 3.44Å
19Y44Very low39Very low163 Ų163118.8 Ų118.864%0.63962%0.624SS**G310 helixtrans-97.711.9171.1-62.3-71.8000113.7L16 D17L16-Y19 PolarHBondContact O-N 2.64Å; L16-Y19 VanDerWaalsContact O-N 3.14Å; D17-Y19 PolarHBondContact O-N 3.27Å
20T43.5Very low38.3Very low98 Ų98120.3 Ų120.360%0.60164%0.639SS**SBendtrans-112.7142.516432.20000110.9D17D17-T20 PolarHBondContact O-N 3.03Å; D17-T20 VanDerWaalsContact O-N 3.12Å; D17-T20 PolarHBondContact O-OG1 3.3Å
21I37Very low37.4Very low164 Ų164124 Ų12484%0.84165%0.654SS**  trans76.886.2178.3-45.6168.3000115.1
22Q29.3Very low36.6Very low181 Ų181123.2 Ų123.285%0.84666%0.66SS**  -172.3105.6115.9-105.6180-11.600110.9
23D29.6Very low35.8Very low145 Ų145131.3 Ų131.378%0.77569%0.694SS**  trans-124.9117.7158.1-95.6-54.2000105.5
24D30Very low34.9Very low157 Ų157134.4 Ų134.484%0.8472%0.719SS**  trans-144.9101.4173.5-118.7-32.3000108.4
25F33.9Very low34.6Very low179 Ų179135.7 Ų135.779%0.78573%0.734SS**  trans-105122.6178.4-84.7-92.3000109.9
26P34Very low33.8Very low117 Ų117133.7 Ų133.776%0.7675%0.745SS**PPolyproline II helixtrans-71.1144.6170.430-33.6000110.8
27P34.4Very low33.1Very low119 Ų119137 Ų13777%0.77377%0.768SS**PPolyproline II helixtrans-77.9153.3-175.331.9-36.2000113
28A31.9Very low33.4Very low106 Ų106137.9 Ų137.988%0.87678%0.779SS**PPolyproline II helixtrans-77.3133.2169.900000111.3
29M26.6Very low32.9Very low175 Ų175140 Ų14086%0.86278%0.784SS**  trans-136.9139.8169.2-94.6-84.5-80.900108.7
30S31.7Very low32.2Very low100 Ų100138.7 Ų138.770%0.69979%0.788SS**  trans-114.3148.4-177.1550000111.5
31Q28Very low31.6Very low186 Ų186140 Ų14087%0.86979%0.789SS**  trans-166.5167.1145-112.6160.972.900112.5
32L31.7Very low31.2Very low141 Ų141139.8 Ų139.874%0.73878%0.784SS**  trans-92.4156.7-176.2-59.382000110.9
33F28.5Very low31.2Very low203 Ų203136.5 Ų136.589%0.8978%0.781SS**  171.9146.3109.5-101-77.7000111.5
34S28.9Very low31.1Very low109 Ų109137.3 Ų137.376%0.76278%0.784SS**  trans-114.2159.3169.1-50.50000109.6
35P41.2Very low31.6Very low136 Ų136135 Ų13588%0.88378%0.778SS**  -151.7174.1102.638.6-22.1000115.3
36G27.8Very low31.3Very low71 Ų71131.5 Ų131.573%0.73278%0.776SS**  trans12444.5147.800000122
37V30.4Very low31.2Very low130 Ų130133 Ų13379%0.78878%0.777SS**  trans0.5133.7132.6172.80000115.8L39V37-L39 HydrophobicContact CG1-CD1 4.36Å
38P40.2Very low31.5Very low117 Ų117132.6 Ų132.676%0.7678%0.775SS**  -142.2165.762.230-6.8000120.8
39L29.3Very low31.2Very low143 Ų143135.4 Ų135.475%0.74977%0.77SS**  trans-10.7152.7159.2-81.167000119.3V37V37-L39 HydrophobicContact CG1-CD1 4.36Å
40D29.3Very low31.2Very low135 Ų135132.6 Ų132.672%0.72276%0.763SS**  -158.2156.358-117-24.2000119
41M30Very low30.9Very low127 Ų127134.3 Ų134.363%0.62677%0.769SS**  trans46.9109.4145-61.3-87.688.500125.1
42H29.5Very low30.7Very low159 Ų159133.5 Ų133.574%0.73676%0.763SS**  86.7137121.8-76.8-28.6000126.4
43S27.4Very low30.5Very low111 Ų111134.4 Ų134.478%0.77676%0.763SS**  trans74.5107.8145.346.90000123.3
44L28.8Very low31Very low162 Ų162128.8 Ų128.885%0.84875%0.747SS**  trans-64.8169138.6-113.179.2000110.5
45P41Very low30.8Very low108 Ų108131.4 Ų131.470%0.70175%0.747SS**  cis-155-168.94842.5-19.3000119
46S27.2Very low30.2Very low107 Ų107133.1 Ų133.175%0.74875%0.747SS**  trans72.6118.5147.5560000121.9
47N31.8Very low29.9Very low147 Ų147133.6 Ų133.679%0.78675%0.753SS**  trans-76160.6147.9-15123000108.9
48P39.8Very low29.6Very low111 Ų111130.9 Ų130.972%0.72175%0.751SS**  -153.2156.689.639.7-21.3000118.3
49E26.7Very low29Very low166 Ų166132.3 Ų132.378%0.77676%0.757SS**  trans40.8115.8139.8-59.7-164.7155.200124
50T26.9Very low28.9Very low115 Ų115134.8 Ų134.871%0.70676%0.762SS**  68.5117.4120.5-48.70000121.5
51V25.4Very low28.9Very low136 Ų136138.2 Ų138.282%0.82477%0.77SS**  -169.3151.9126.7135.30000111.5
52F23.2Very low28.7Very low170 Ų170136.1 Ų136.175%0.74677%0.773SS**  trans-73.5172.2175.5-74.2-107.4000111.5
53H27.3Very low28.9Very low159 Ų159133.8 Ų133.874%0.73678%0.775SS**  cis-161.9-157.723.6-131.5-30.1000108.6
54P38.1Very low29.1Very low86 Ų86133.4 Ų133.456%0.55877%0.768SS**  -117.2-178.8-93.622.42.4000116.2
55H25.8Very low29.3Very low164 Ų164132 Ų13276%0.75976%0.761SS**  trans123.1135.4141.1-73.6-70000121
56L27.4Very low29.4Very low171 Ų171130.5 Ų130.590%0.89574%0.744SS**  trans71.5118.7144.5-89.9151.6000122
57G23.2Very low29.8Very low82 Ų82130.8 Ų130.885%0.84575%0.746SS**  trans111.877.7130.900000118.1
58G24.1Very low29.7Very low73 Ų73128.9 Ų128.975%0.75374%0.744SS**  trans-16362.7177.300000115.7K60G58-K60 PolarHBondContact O-N 3.26Å
59V26.3Very low29.6Very low146 Ų146126.9 Ų126.989%0.88573%0.729SS**  trans-69.2111.6-179.7179.70000111.3
60K28Very low30.1Very low195 Ų195124.9 Ų124.985%0.84872%0.724SS**  trans-103.7124.4161.6-75.5-175.1175.1179.60109.7G58 A62G58-K60 PolarHBondContact O-N 3.26Å; K60-A62 PolarHBondContact O-N 2.82Å
61K28.5Very low30.8Very low208 Ų208122.1 Ų122.190%0.90471%0.705SS**  trans-63.7114168.4-82.4-178.31731780109
62A26.9Very low31.3Very low82 Ų82120.1 Ų120.168%0.67870%0.697SS**  trans-86.2107.5168.600000109.5K60 T64K60-A62 PolarHBondContact O-N 2.82Å; A62-T64 VanDerWaalsContact C-N 3.32Å; A62-T64 PolarHBondContact O-N 3.21Å
63S32.8Very low32.1Very low111 Ų111120.9 Ų120.978%0.77670%0.7SS**  trans-71.989.5163.749.90000108.7D65S63-D65 PolarHBondContact O-N 3.37Å
64T32Very low32.4Very low103 Ų103116.3 Ų116.363%0.63268%0.681SS**  trans-80.194.9176.433.80000110.6A62A62-T64 VanDerWaalsContact C-N 3.32Å; A62-T64 PolarHBondContact O-N 3.21Å
65D32.8Very low32.1Very low131 Ų131117 Ų11770%0.70169%0.685SS**  trans-54.6144.5169.6-79.8-45.5000111.4S63 S67S63-D65 PolarHBondContact O-N 3.37Å; D65-S67 PolarHBondContact O-N 3.23Å
66F43.4Very low32.6Very low78 Ų78115.3 Ų115.334%0.34268%0.682SS.*SBendtrans-74.610.7-173.9-79.7-109.9000114.2S68 K319F66-S68 PolarHBondContact O-N 3.33Å; F66-K319 HydrophobicContact CE1-CD 3.62Å; F66-K319 HydrophobicContact CE1-CG 4.15Å; F66-K319 HydrophobicContact CZ-CD 3.67Å; F66-K319 HydrophobicContact CZ-CG 4.1Å; F66-K319 VanDerWaalsContact CZ-NZ 3.25Å
67S35.3Very low32.9Very low113 Ų113115.3 Ų115.379%0.7968%0.677SS**THydrogen-bonded Turntrans-76.69.8-166.463.60000116.2D65D65-S67 PolarHBondContact O-N 3.23Å
68S30.7Very low33.6Very low107 Ų107115.6 Ų115.675%0.74866%0.659SS**THydrogen-bonded Turntrans-139.727.9-174.373.70000114.5F66 D70F66-S68 PolarHBondContact O-N 3.33Å; S68-D70 PolarHBondContact O-N 2.84Å
69V37.8Very low34.1Very low68 Ų68116.4 Ų116.441%0.41265%0.649SS.*  trans-76.8108.8160.4-177.50000106.8L71V69-L71 HydrophobicContact CG1-CD2 3.92Å; V69-L71 HydrophobicContact CG1-CG 4.44Å; V69-L71 PolarHBondContact O-N 3Å
70D37.1Very low34.4Very low125 Ų125117.2 Ų117.267%0.66864%0.644SS**  trans-71.6121.2174.2-173.716.6000109.8S68 S72S68-D70 PolarHBondContact O-N 2.84Å; D70-S72 VanDerWaalsContact OD1-CB 3.25Å; D70-S72 WeakPolarHBondContact OD1-CB 3.41Å; D70-S72 PolarHBondContact OD1-N 3.29Å; D70-S72 PolarHBondContact OD1-OG 3.15Å; D70-S72 WeakPolarHBondContact OD2-CB 3.39Å; D70-S72 PolarHBondContact OD2-OG 2.91Å
71L40.3Very low34.6Very low56 Ų56116 Ų11629%0.29364%0.641SS.*  trans-105.116.7179.4-63.2177.6000111.9V69 F73 L74 V269 L313V69-L71 HydrophobicContact CG1-CD2 3.92Å; V69-L71 HydrophobicContact CG1-CG 4.44Å; V69-L71 PolarHBondContact O-N 3Å; L71-F73 PolarHBondContact O-N 3.42Å; L71-L74 HydrophobicContact CB-CD1 4.23Å; L71-L74 HydrophobicContact CB-CG 4.5Å; L71-L74 PolarHBondContact O-N 2.87Å; L71-L74 VanDerWaalsContact O-N 3.11Å; L71-V269 HydrophobicContact CD1-CG1 4.25Å; L71-L313 HydrophobicContact CD2-CD1 4.16Å
72S36Very low34.9Very low94 Ų94112.8 Ų112.866%0.65763%0.633SS**THydrogen-bonded Turntrans-55.2-13.5174.762.10000115.2D70D70-S72 VanDerWaalsContact OD1-CB 3.25Å; D70-S72 WeakPolarHBondContact OD1-CB 3.41Å; D70-S72 PolarHBondContact OD1-N 3.29Å; D70-S72 PolarHBondContact OD1-OG 3.15Å; D70-S72 WeakPolarHBondContact OD2-CB 3.39Å; D70-S72 PolarHBondContact OD2-OG 2.91Å
73F39.7Very low35.3Very low186 Ų186119 Ų11982%0.81664%0.64SS**THydrogen-bonded Turntrans-90.1-2.1178.6-154.5-97.8000114.5L71L71-F73 PolarHBondContact O-N 3.42Å
74L34.1Very low35.1Very low64 Ų64121.2 Ų121.234%0.33564%0.642SS.*SBendtrans-74.1130.4171.6-64.7179.3000110L71 T323L71-L74 HydrophobicContact CB-CD1 4.23Å; L71-L74 HydrophobicContact CB-CG 4.5Å; L71-L74 PolarHBondContact O-N 2.87Å; L71-L74 VanDerWaalsContact O-N 3.11Å; L74-T323 HydrophobicContact CD1-CG2 4.27Å; L74-T323 HydrophobicContact CD2-CG2 4.09Å
75P32.1Very low35.1Very low100 Ų100125.3 Ų125.365%0.64965%0.654SS**  trans-69.9136.2-174.927.8-34.7000112.6E77P75-E77 HydrophobicContact CB-CG 4.35Å; P75-E77 PolarHBondContact O-N 2.66Å
76D36Very low34.9Very low129 Ų129125.2 Ų125.269%0.6966%0.659SS**  trans-79.849.8-174.8-118.8-21.4000113.1L78 T79D76-L78 PolarHBondContact O-N 2.92Å; D76-T79 PolarHBondContact O-N 2.79Å; D76-T79 VanDerWaalsContact O-N 3.12Å; D76-T79 PolarHBondContact O-OG1 3.16Å
77E33.4Very low34.3Very low170 Ų170128.2 Ų128.279%0.79468%0.683SS**THydrogen-bonded Turntrans-61.1-7.5-176.6-67.6-170.4136.300114.2P75 T79P75-E77 HydrophobicContact CB-CG 4.35Å; P75-E77 PolarHBondContact O-N 2.66Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 PolarHBondContact O-N 2.81Å
78L37.9Very low33.9Very low89 Ų89130.1 Ų130.147%0.46669%0.69SS.*THydrogen-bonded Turntrans-82.34.6174.3-67.8174.9000114.6D76 Q266D76-L78 PolarHBondContact O-N 2.92Å; L78-Q266 HydrophobicContact CD1-CB 4.17Å
79T34.7Very low33.6Very low90 Ų90128.2 Ų128.255%0.55269%0.687SS**SBendtrans-106.4-15.3-178.6570000115.7D76 E77 E81D76-T79 PolarHBondContact O-N 2.79Å; D76-T79 VanDerWaalsContact O-N 3.12Å; D76-T79 PolarHBondContact O-OG1 3.16Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 PolarHBondContact O-N 2.81Å; T79-E81 PolarHBondContact O-N 3.32Å
80Q32.5Very low32.9Very low163 Ų163132.8 Ų132.876%0.76271%0.71SS**SBendtrans-71.5-30.8-171.7-15276.3-900114N82Q80-N82 PolarHBondContact O-N 2.91Å
81E32Very low32.5Very low168 Ų168136.9 Ų136.979%0.78572%0.722SS**THydrogen-bonded Turntrans-75.527.9-164.5-155.2-169.7-148.500115.3T79T79-E81 PolarHBondContact O-N 3.32Å
82N34.7Very low31.8Very low141 Ų141142.2 Ų142.275%0.75475%0.749SS**THydrogen-bonded Turntrans-142.619.9-173.6-112.4-118.2000115.7Q80Q80-N82 PolarHBondContact O-N 2.91Å
83R35.7Very low31.3Very low214 Ų214142.1 Ų142.181%0.80875%0.754SS**SBendtrans-100.1-35.9171.3-104.9-178.8171.5176.9-2.5114.7Q85R83-Q85 PolarHBondContact O-N 3.22Å; R83-Q85 VanDerWaalsContact O-N 3.07Å
84D29.5Very low30.6Very low156 Ų156139 Ų13983%0.83476%0.755SS**THydrogen-bonded Turntrans-92.959.8-167.7-56.6-37.7000113
85Q31Very low30.2Very low189 Ų189144.7 Ų144.788%0.88378%0.78SS**THydrogen-bonded Turntrans-154.311.1173-132.6157.996.200116.4R83R83-Q85 PolarHBondContact O-N 3.22Å; R83-Q85 VanDerWaalsContact O-N 3.07Å
86T28.7Very low29.9Very low130 Ų130149 Ų14980%0.79879%0.792SS**SBendtrans-134.843.5-178.759.30000114.7
87V30.6Very low29.3Very low140 Ų140148 Ų14885%0.84880%0.795SS**  trans-137.972.5163.3-1680000111
88T26.7Very low28.8Very low153 Ų153145.2 Ų145.294%0.93979%0.793SS**  trans-153.399.6161.6-30.40000108.9
89G23.9Very low28.2Very low67 Ų67151.9 Ų151.969%0.69181%0.812SS**  trans166.3101.8-175.500000113.8
90N25.2Very low27.8Very low164 Ų164152.7 Ų152.788%0.87782%0.817SS**  trans58.797.3158.8-57.4-5.3000119.1
91K27Very low27.5Very low212 Ų212156 Ų15692%0.92282%0.823SS**  -155.2147.2110.7-122.2-176.8178.4-171.80113.3
92L26.7Very low27.2Very low167 Ų167154.4 Ų154.487%0.87482%0.819SS**  trans-110.4159.3171.4-95.2160.5000109.3
93A24.8Very low26.9Very low92 Ų92158.1 Ų158.176%0.7682%0.823SS**  trans64.3141.4-175.100000114.7
94S25.7Very low26.4Very low120 Ų120156.1 Ų156.184%0.83982%0.822SS**  cis-136.3168.321.1-57.30000113.8
95E24.9Very low26.4Very low185 Ų185154.8 Ų154.886%0.86483%0.825SS**  trans-83.5152.3174.5-60.7161.7114.700112.4
96E25.1Very low26.1Very low189 Ų189153.3 Ų153.388%0.88382%0.819SS**  159.2161.8119.3-87.2-145103.300114.9
97S24.3Very low25.9Very low110 Ų110153.9 Ų153.977%0.76982%0.816SS**  trans77.275.6154.1-141.20000121.1
98C22.9Very low25.6Very low110 Ų110153.8 Ų153.874%0.74381%0.806SS**  trans-13.5141.6131.6-51.40000118.4
99R26.1Very low25.4Very low230 Ų230153.9 Ų153.987%0.86880%0.8SS**  173.4130.399.8-102.3175.4179.6175.81.7117.5
100T25.4Very low26.1Very low107 Ų107155.5 Ų155.566%0.65680%0.799SS**  trans39.1125.5139.858.50000122.5
101R26.2Very low26.2Very low233 Ų233154.4 Ų154.488%0.87979%0.793SS**  161.1158.2116.2-89.6171.6178.7165.21110.5
102D26.6Very low26.3Very low134 Ų134150.9 Ų150.972%0.71778%0.78SS**  cis-177.3162.6-38.5-118.8-54.2000108.4
103R26.8Very low26.3Very low219 Ų219151 Ų15183%0.82678%0.775SS**  trans68.5131.8178.4-64.2178.8152.7177.2-8.4116.4
104Q27Very low26.4Very low171 Ų171149.8 Ų149.880%0.79977%0.771SS**  cis87.3113.633.4-69.1-175.6-39.700116.3
105S28.8Very low26.7Very low128 Ų128150.3 Ų150.390%0.89578%0.775SS**  trans-150.9160.9134.944.90000108.7
106Q25.1Very low26.8Very low159 Ų159149.7 Ų149.774%0.74377%0.772SS**  trans-149.5-177.9-157.8-165.7177.4-6.100111.5
107L24.6Very low26.9Very low142 Ų142147 Ų14774%0.74376%0.764SS**  trans93.1105.3174.8-50.3172.7000112.8
108Q23.8Very low27.1Very low138 Ų138148.5 Ų148.565%0.64576%0.763SS**  80.4109.367.4-72.6171.3-105.800112.4
109L22.6Very low27.4Very low155 Ų155151.6 Ų151.681%0.81277%0.771SS**  78.7156.570.9-77.2-178.1000113
110P39Very low27.4Very low101 Ų101147.7 Ų147.766%0.65677%0.767SS**  cis-109.3-144.5-4.442-29.2000110.7
111D26.3Very low27.7Very low141 Ų141147.4 Ų147.475%0.75477%0.77SS**  cis-163.6166.5-1-115.2-26.4000106.1
112E28.7Very low27.7Very low138 Ų138143.5 Ų143.565%0.64577%0.766SS**  cis-158.7-173.9-16.6-146.3-105.184.300106.9
113H28Very low27.9Very low169 Ų169143.4 Ų143.478%0.78278%0.776SS**  trans64.5119.7172-61.3-12.3000118
114G27.5Very low28Very low66 Ų66138.3 Ų138.368%0.6877%0.774SS**  cis171166.1-6.500000114.2
115S31.8Very low28.7Very low131 Ų131136.1 Ų136.192%0.91677%0.774SS**  trans70.791.3168.1-60.70000119
116E25.8Very low28.6Very low173 Ų173137.1 Ų137.181%0.80877%0.77SS**  trans-66.8141.2165-67.5-179.3104.400113.3
117L27.7Very low29.8Very low133 Ų133134.5 Ų134.570%0.69677%0.766SS**  66.8129.6102.8-54.2173.6000119
118N29.3Very low30Very low141 Ų141135.9 Ų135.975%0.75477%0.769SS**  trans31.8138.7137.2-58.6-27000121.7
119L28.4Very low30.2Very low175 Ų175134.4 Ų134.492%0.91677%0.774SS**  -168.2156.4113.2-103.1165.7000112.6
120N26.7Very low30.4Very low147 Ų147132.1 Ų132.179%0.78677%0.77SS**  trans-91.1153175.2-67.3-23.4000111.2
121S30.8Very low29.8Very low101 Ų101134.2 Ų134.271%0.70678%0.775SS**  158.2146.1111.5-68.80000115.9
122N27.1Very low29.7Very low152 Ų152131.9 Ų131.981%0.81377%0.768SS**  trans66.6114.9148.6-60-11.9000122.2
123S29.6Very low29.5Very low131 Ų131134.2 Ų134.292%0.91678%0.777SS**  -165156.9112.620.30000111.8
124S29.1Very low29.5Very low112 Ų112132.5 Ų132.578%0.78377%0.773SS**  trans-124.4173.7178.170.60000108.9
125P41.5Very low29.5Very low125 Ų125136.7 Ų136.781%0.81278%0.78SS**  -147.817950.341-18.8000118.8
126D27.1Very low29.6Very low150 Ų150134.4 Ų134.480%0.80277%0.769SS**  trans-77.1-171170.6-87.7-54.1000114.6
127P50Low29.8Very low103 Ų103134.8 Ų134.867%0.66977%0.77SS**  cis-139.2-173.8-41.737.8-20.2000113.8
128Q29Very low29.9Very low172 Ų172132.9 Ų132.980%0.80477%0.768SS**  trans153.5114.6138.9-84.3169.83100111.6
129S27.5Very low29.9Very low107 Ų107133.7 Ų133.775%0.74877%0.773SS**  91.5155.590.4960000113.7
130C26.7Very low30.1Very low106 Ų106132.8 Ų132.872%0.71676%0.764SS**  cis-157.3141.1-5.7-138.30000114.1
131L26.5Very low30.5Very low146 Ų146131.7 Ų131.776%0.76477%0.765SS**  trans29.3116.3147.9-58.2172.5000124.6
132C25.4Very low30.3Very low91 Ų91131.2 Ų131.262%0.61576%0.761SS**  64.1153.5119.6-55.70000125.5
133F24.9Very low31.4Very low188 Ų188129.4 Ų129.483%0.82576%0.758SS**  trans72.6146.2156.4-60.2-53.3000118.6
134D26.8Very low31.2Very low133 Ų133132.1 Ų132.171%0.71176%0.756SS**  cis-160.9-174.5-17.8-138.9-31.1000111.6
135D28.1Very low31.3Very low154 Ų154133 Ų13382%0.82476%0.757SS**  trans77.5161.8151.7-95.6-42.7000122.2
136A33.1Very low31.4Very low82 Ų82132.1 Ų132.168%0.67875%0.751SS**  trans-143.9166-173.200000112.6
137H31.6Very low31.5Very low181 Ų181131.6 Ų131.684%0.83875%0.748SS**  trans179.3147.1144.9-105.9-71.9000114.4
138S29.6Very low30.7Very low94 Ų94131.4 Ų131.466%0.65775%0.75SS**  trans66147.8153.8-74.90000119.6
139N28.9Very low30.9Very low157 Ų157130.8 Ų130.884%0.8475%0.752SS**  cis-154.3170.412.4-108.6-22.8000112.4
140Q32.1Very low31.1Very low157 Ų157130.8 Ų130.873%0.73476%0.758SS**  trans-100.1164.7171.3-149.7-178.36.800111.2
141P35.8Very low31.6Very low124 Ų124133.7 Ų133.781%0.80577%0.766SS**  -148.6176.6100.139.3-22.4000116.1
142S25.1Very low32.3Very low90 Ų90132.6 Ų132.663%0.62977%0.767SS**  trans-114.2-163.1174.2-38.80000109.6
143P50.7Low32.9Very low115 Ų115135 Ų13575%0.74778%0.779SS**  cis-130.2-176.9-24.541-25.8000113
144E26.1Very low33.4Very low188 Ų188130.1 Ų130.188%0.87977%0.773SS**  trans-178.9159132.1-106177.3-159.600114.1
145T31.1Very low33.7Very low131 Ų131131.7 Ų131.780%0.80478%0.781SS**  trans-153.4160.7175.6530000107.7
146P42.9Very low34.5Very low106 Ų106132.4 Ų132.469%0.68878%0.783SS**  cis-155.4-162.147.841.2-16000118.1
147N29.3Very low34.9Very low139 Ų139131.8 Ų131.874%0.74378%0.778SS**  trans100.395.8157.1-62.6-21000121.2
148S33.6Very low35.1Very low99 Ų99128.4 Ų128.469%0.69278%0.775SS**  63.3134.7119.5-54.90000124.1
149N34.2Very low35.6Very low159 Ų159132.2 Ų132.285%0.8578%0.784SS**  trans76.595.8149.7-58.1-14.1000120.9
150A31.3Very low36.4Very low107 Ų107132.4 Ų132.488%0.88478%0.782SS**  trans-168.7157.5131.700000111.8
151L37.5Very low37.2Very low166 Ų166130.4 Ų130.487%0.86978%0.782SS**PPolyproline II helixtrans-94157170.6-79.6170.4000111.3
152P40Very low37.5Very low123 Ų123133.1 Ų133.180%0.79979%0.787SS**PPolyproline II helixtrans-82.4148.6-164.332.3-36.6000114.7
153V37.7Very low38.8Very low143 Ų143135.9 Ų135.987%0.86779%0.794SS**PPolyproline II helixtrans-96118.9171.5175.90000110.6
154A35.6Very low38.6Very low85 Ų85135.9 Ų135.970%0.70279%0.794SS**  trans20.999.6159.100000119.1I156A154-I156 PolarHBondContact O-N 3.34Å
155L33Very low39.8Very low166 Ų166132.5 Ų132.587%0.86979%0.786SS**  trans-88.298.7158.6-167.380.3000110A157L155-A157 PolarHBondContact O-N 3.23Å
156I45.2Very low40.7Very low168 Ų168131.1 Ų131.186%0.86278%0.779SS**  trans-76.68617236.1172000110.8A154A154-I156 PolarHBondContact O-N 3.34Å
157A41.8Very low41.2Very low70 Ų70129.1 Ų129.158%0.57978%0.779SS**  trans-70.2130.6172.100000111.1L155 M159L155-A157 PolarHBondContact O-N 3.23Å; A157-M159 PolarHBondContact O-N 2.81Å
158S35.9Very low42.4Very low110 Ų110130.6 Ų130.677%0.76978%0.778SS**  trans-67.7121.9-179.7-172.70000111.6M160S158-M160 PolarHBondContact O-N 3.03Å; S158-M160 VanDerWaalsContact O-N 3.13Å
159M39.6Very low44Very low173 Ų173127.8 Ų127.885%0.85276%0.759SS**  trans-81.487.7177.5-72.4-72.2166.800110.6A157A157-M159 PolarHBondContact O-N 2.81Å
160M45.6Very low46.3Very low161 Ų161123.5 Ų123.579%0.79375%0.752SS**PPolyproline II helixtrans-63.1132.9162.3-76.4-75.7179.300109.3S158 M162S158-M160 PolarHBondContact O-N 3.03Å; S158-M160 VanDerWaalsContact O-N 3.13Å; M160-M162 PolarHBondContact O-N 3.29Å
161P50.2Low49.3Very low115 Ų115120.3 Ų120.375%0.74772%0.72SS**PPolyproline II helixtrans-66.6120.2175.627.4-33000109.7N163P161-N163 PolarHBondContact O-N 2.87Å
162M42.3Very low52Low182 Ų182116.6 Ų116.690%0.89770%0.704SS**PPolyproline II helixtrans-62.1119.1168.3-74.7-71.4-17500108.7M160M160-M162 PolarHBondContact O-N 3.29Å
163N51.3Low54.7Low147 Ų147110.9 Ų110.979%0.78667%0.667SS**PPolyproline II helixtrans-56.4134.7163.5-88.2-16.4000108.2P161 V165P161-N163 PolarHBondContact O-N 2.87Å; N163-V165 PolarHBondContact O-N 2.82Å
164P45.8Very low57.5Low116 Ų116109.4 Ų109.475%0.75365%0.65SS**PPolyproline II helixtrans-60.5126.3173.126-32.9000108.8
165V51.7Low60.4Low116 Ų116106.7 Ų106.770%0.70362%0.624SS**PPolyproline II helixtrans-55.2132169.8178.90000107.5N163 G167N163-V165 PolarHBondContact O-N 2.82Å; V165-G167 PolarHBondContact O-N 3.47Å
166P51.2Low63.5Low102 Ų102102.1 Ų102.166%0.66260%0.598SS**PPolyproline II helixtrans-49.9134.7178.9-2935.9000111.3F168P166-F168 PolarHBondContact O-N 3.13Å; P166-F168 VanDerWaalsContact O-N 3.08Å
167G51.6Low66Low65 Ų6596 Ų9667%0.6757%0.567SS**  trans-57.7115.8-170.500000111.8V165 S169V165-G167 PolarHBondContact O-N 3.47Å; G167-S169 PolarHBondContact O-N 3.44Å
168F55.6Low68.7Low169 Ų16992.7 Ų92.774%0.74154%0.54SS*.  trans-58.8111.1171.6-102.4-89.2000108.9P166 G170P166-F168 PolarHBondContact O-N 3.13Å; P166-F168 VanDerWaalsContact O-N 3.08Å; F168-G170 PolarHBondContact O-N 3.32Å; F168-G170 VanDerWaalsContact O-N 3.1Å
169S66.6Low71.6Confident41 Ų4188.4 Ų88.429%0.28751%0.509SS..  trans-62.4-19-177.762.70000113.6G167 I171 Y339G167-S169 PolarHBondContact O-N 3.44Å; S169-I171 PolarHBondContact O-N 3.3Å; S169-I171 PolarHBondContact OG-N 2.87Å; S169-Y339 VanDerWaalsContact CB-CE2 3.43Å
170G83.6Confident74.5Confident69 Ų6980.2 Ų80.271%0.71147%0.469SS*.  trans70.52.1-170.400000113.8F168F168-G170 PolarHBondContact O-N 3.32Å; F168-G170 VanDerWaalsContact O-N 3.1Å
171I92.8Very high77Confident40 Ų4073.1 Ų73.121%0.20544%0.435CS..  trans-98.6112.4-175.5-60.1178.1000108.5S169 C272 F335 Y339S169-I171 PolarHBondContact O-N 3.3Å; S169-I171 PolarHBondContact OG-N 2.87Å; I171-C272 HydrophobicContact CG2-CB 4.04Å; I171-F335 HydrophobicContact CB-CE1 3.99Å; I171-F335 HydrophobicContact CB-CZ 4.06Å; I171-F335 HydrophobicContact CG2-CE1 4.03Å; I171-F335 HydrophobicContact CG2-CZ 3.82Å; I171-F335 WeakPolarHBondContact O-CE1 3.47Å; I171-Y339 HydrophobicContact CD1-CE2 4.35Å
172V94.7Very high79.3Confident87 Ų8767.9 Ų67.953%0.52740%0.401SS..  trans-100.6118.8180-178.20000110Q174 Y332V172-Q174 PolarHBondContact O-N 3.28Å; V172-Q174 PolarHBondContact O-NE2 3.45Å; V172-Y332 HydrophobicContact CG1-CE1 3.83Å
173P96.4Very high81.9Confident3 Ų361.3 Ų61.32%0.01937%0.369CS..  trans-51.8133.7170-28.234.4000113.3C272 I331 Y332 F335P173-C272 HydrophobicContact CG-CB 4.41Å; P173-I331 HydrophobicContact CB-CG2 3.8Å; P173-I331 HydrophobicContact CG-CG2 4.44Å; P173-Y332 HydrophobicContact CB-CD1 4.29Å; P173-Y332 HydrophobicContact CB-CE1 4.2Å; P173-Y332 HydrophobicContact CG-CD1 4.15Å; P173-Y332 HydrophobicContact CG-CE1 4.48Å; P173-Y332 WeakPolarHBondContact O-CE1 3.37Å; P173-F335 HydrophobicContact CG-CB 3.56Å; P173-F335 HydrophobicContact CG-CD1 3.72Å; P173-F335 HydrophobicContact CG-CD2 4.36Å; P173-F335 HydrophobicContact CG-CG 3.59Å
174Q97.1Very high84.1Confident112 Ų11254.4 Ų54.452%0.52333%0.332SS..EExtended strand (participates in β ladder)trans-105.5131-179.9-59-57.4-5600109.9V172 Q176 G270 S271V172-Q174 PolarHBondContact O-N 3.28Å; V172-Q174 PolarHBondContact O-NE2 3.45Å; Q174-Q176 PolarHBondContact O-NE2 2.89Å; Q174-G270 CarbonylContact O-C 3.51Å; Q174-G270 WeakPolarHBondContact O-CA 3.3Å; Q174-S271 PolarHBondContact N-O 3.01Å; Q174-S271 PolarHBondContact O-N 3.25Å
175L97.1Very high86.5Confident28 Ų2850.5 Ų50.515%0.14731%0.31CS..EExtended strand (participates in β ladder)trans-66.4134.7174.8-65-177.5000110.9V178 K235 E237 M268 R328 I331L175-V178 HydrophobicContact CD1-CG2 4.43Å; L175-K235 VanDerWaalsContact CB-O 3.23Å; L175-K235 WeakPolarHBondContact CB-O 3.5Å; L175-E237 WeakPolarHBondContact CD1-OE2 3.29Å; L175-M268 HydrophobicContact CD1-CE 3.59Å; L175-M268 HydrophobicContact CD2-CE 3.71Å; L175-M268 HydrophobicContact CG-CE 4.33Å; L175-R328 HydrophobicContact CD1-CG 4.16Å; L175-R328 HydrophobicContact CD2-CG 4.39Å; L175-R328 HydrophobicContact CG-CG 4.5Å; L175-I331 HydrophobicContact CD2-CD1 3.62Å
176Q97.2Very high88.6Confident71 Ų7145.8 Ų45.833%0.33228%0.282SS..EExtended strand (participates in β ladder)trans-115-32.8-179.8-57.5-54.8-36.600112.5Q174 V269 S271Q174-Q176 PolarHBondContact O-NE2 2.89Å; Q176-V269 PolarHBondContact N-O 2.99Å; Q176-S271 VanDerWaalsContact CG-OG 3.26Å; Q176-S271 WeakPolarHBondContact CG-OG 3.37Å; Q176-S271 PolarHBondContact NE2-OG 3.22Å; Q176-S271 VanDerWaalsContact NE2-OG 3.09Å
177N97.8Very high90.8Very high39 Ų3949 Ų4921%0.20929%0.285CS..EExtended strand (participates in β ladder)trans-155.5139.3179.4176.940.5000111.4G233 A234 V269N177-G233 WeakPolarHBondContact OD1-CA 3.31Å; N177-G233 PolarHBondContact OD1-N 2.84Å; N177-A234 CarbonylContact C-O 3.57Å; N177-A234 VanDerWaalsContact CA-O 3.31Å; N177-A234 WeakPolarHBondContact CA-O 3.49Å; N177-V269 HydrophobicContact CB-CB 4.21Å; N177-V269 HydrophobicContact CB-CG2 4.33Å; N177-V269 PolarHBondContact N-O 3.37Å; N177-V269 PolarHBondContact O-N 3.2Å
178V98.2Very high93Very high0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-124.9116.1174.2179.70000109.5L175 A234 E237 S240 I265 M268L175-V178 HydrophobicContact CD1-CG2 4.43Å; V178-A234 PolarHBondContact N-O 2.92Å; V178-E237 HydrophobicContact CG1-CG 4.47Å; V178-S240 PolarHBondContact O-OG 3.31Å; V178-I265 HydrophobicContact CG1-CD1 3.84Å; V178-I265 HydrophobicContact CG1-CG2 4.03Å; V178-M268 HydrophobicContact CG1-CG 4.37Å; V178-M268 HydrophobicContact CG2-CE 4.19Å; V178-M268 HydrophobicContact CG2-CG 4.43Å
179V98.3Very high95Very high21 Ų2142.2 Ų42.213%0.12724%0.241CC..EExtended strand (participates in β ladder)trans-94.9123.4175.7179.90000109.1V230 C231 T232 Q266 N267V179-V230 HydrophobicContact CG1-CG1 4.22Å; V179-C231 WeakPolarHBondContact CA-O 3.27Å; V179-T232 HydrophobicContact CB-CG2 4.49Å; V179-T232 HydrophobicContact CG1-CG2 4.09Å; V179-T232 HydrophobicContact CG2-CG2 4.05Å; V179-Q266 HydrophobicContact CG1-CB 4.41Å; V179-Q266 PolarHBondContact O-N 3.38Å; V179-N267 HydrophobicContact CB-CB 4.16Å; V179-N267 HydrophobicContact CG2-CB 4.41Å; V179-N267 PolarHBondContact N-O 2.99Å; V179-N267 PolarHBondContact O-N 2.88Å
180S98.6Very high96.4Very high0 Ų040.6 Ų40.60%023%0.229CC..EExtended strand (participates in β ladder)trans-128163176.865.10000112.2V230 C231 S240 F263 K264S180-V230 CarbonylContact O-C 3.55Å; S180-V230 WeakPolarHBondContact O-CA 3.47Å; S180-C231 PolarHBondContact N-O 3.4Å; S180-C231 PolarHBondContact O-N 2.91Å; S180-S240 WeakPolarHBondContact CB-OG 3.33Å; S180-S240 PolarHBondContact OG-OG 2.92Å; S180-F263 WeakPolarHBondContact OG-CE2 3.01Å; S180-K264 CarbonylContact C-O 3.58Å; S180-K264 VanDerWaalsContact CA-O 3.3Å; S180-K264 WeakPolarHBondContact CA-O 3.24Å; S180-K264 WeakPolarHBondContact CB-O 3.38Å
181T98.4Very high97Very high13 Ų1345.8 Ų45.88%0.0823%0.228CC..EExtended strand (participates in β ladder)trans-123.5147.7167.550.20000110.7V229 V230 F263 K264 Q266T181-V229 CarbonylContact C-O 3.58Å; T181-V229 WeakPolarHBondContact CA-O 3.39Å; T181-V230 HydrophobicContact CG2-CG2 4.02Å; T181-F263 CarbonylContact O-C 3.57Å; T181-F263 VanDerWaalsContact O-CA 3.28Å; T181-F263 WeakPolarHBondContact O-CA 3.47Å; T181-K264 PolarHBondContact N-O 3.04Å; T181-K264 PolarHBondContact O-N 2.7Å; T181-Q266 HydrophobicContact CG2-CG 3.81Å; T181-Q266 PolarHBondContact OG1-NE2 3.2Å
182A98.4Very high97.2Very high4 Ų447.8 Ų47.83%0.03324%0.235CC..EExtended strand (participates in β ladder)trans-134.8175.4163.500000109.6V229 A244 F260 F263A182-V229 PolarHBondContact N-O 2.89Å; A182-V229 PolarHBondContact O-N 2.85Å; A182-A244 HydrophobicContact CB-CB 4.46Å; A182-F260 HydrophobicContact CB-CD2 4.14Å; A182-F260 HydrophobicContact CB-CE2 3.55Å; A182-F260 HydrophobicContact CB-CZ 4.12Å; A182-F263 HydrophobicContact CB-CD2 4.35Å
183N98.1Very high97.3Very high44 Ų4443.6 Ų43.624%0.23521%0.21CC..EExtended strand (participates in β ladder)trans-133.6146.3170.9-169.4-24.4000109.8A185 G227 R259 F261N183-A185 PolarHBondContact OD1-N 3.33Å; N183-A185 VanDerWaalsContact OD1-N 3.09Å; N183-G227 CarbonylContact C-O 3.38Å; N183-G227 WeakPolarHBondContact CA-O 3.43Å; N183-G227 PolarHBondContact OD1-O 2.74Å; N183-R259 VanDerWaalsContact O-O 3.1Å; N183-F261 HydrophobicContact CB-CD1 3.86Å; N183-F261 HydrophobicContact CB-CE1 3.34Å; N183-F261 HydrophobicContact CB-CE2 4.46Å; N183-F261 HydrophobicContact CB-CZ 3.69Å; N183-F261 VanDerWaalsContact CG-CZ 3.47Å; N183-F261 PolarHBondContact N-O 3.04Å; N183-F261 VanDerWaalsContact O-CD1 3.23Å; N183-F261 WeakPolarHBondContact O-CD1 3.18Å; N183-F261 PolarHBondContact O-N 3.43Å; N183-F261 WeakPolarHBondContact OD1-CE1 3.4Å
184L97.6Very high97.3Very high2 Ų244.9 Ų44.91%0.0122%0.22CC..  trans-102.61.2-173.7-57.6-174.6000113.7C186 L188 G227 V229 A248 V251 V258 R259L184-C186 PolarHBondContact O-N 2.97Å; L184-C186 VanDerWaalsContact O-N 3.16Å; L184-C186 PolarHBondContact O-SG 3.16Å; L184-C186 VanDerWaalsContact O-SG 3.33Å; L184-L188 HydrophobicContact CD1-CD1 3.98Å; L184-G227 PolarHBondContact N-O 2.76Å; L184-V229 HydrophobicContact CD1-CG2 3.62Å; L184-V229 HydrophobicContact CD2-CG2 4.24Å; L184-V229 HydrophobicContact CG-CG2 3.7Å; L184-A248 HydrophobicContact CD2-CB 3.49Å; L184-A248 VanDerWaalsContact CD2-CB 3.49Å; L184-V251 HydrophobicContact CD1-CB 4.19Å; L184-V251 HydrophobicContact CD1-CG1 4.21Å; L184-V251 HydrophobicContact CD1-CG2 4.18Å; L184-V258 HydrophobicContact CB-CG1 4.04Å; L184-V258 HydrophobicContact CB-CG2 4.39Å; L184-V258 HydrophobicContact CD2-CG1 3.81Å; L184-V258 HydrophobicContact CG-CG1 4.36Å; L184-V258 WeakPolarHBondContact O-CA 3.47Å; L184-R259 CarbonylContact C-O 3.18Å; L184-R259 VanDerWaalsContact CA-O 3.28Å; L184-R259 WeakPolarHBondContact CA-O 3.12Å; L184-R259 PolarHBondContact O-N 3.25Å
185A95.9Very high97.3Very high34 Ų3446.4 Ų46.428%0.28123%0.231SC..SBendtrans65.712.8169.700000116.7N183 R259 F261N183-A185 PolarHBondContact OD1-N 3.33Å; N183-A185 VanDerWaalsContact OD1-N 3.09Å; A185-R259 HydrophobicContact CB-CB 3.9Å; A185-F261 HydrophobicContact CB-CD1 3.79Å; A185-F261 HydrophobicContact CB-CE1 3.54Å; A185-F261 HydrophobicContact CB-CZ 4.49Å
186C96.2Very high97.2Very high18 Ų1849.5 Ų49.512%0.12225%0.248CC..SBendtrans-142153.6179.254.40000110.6L184 G227 P257L184-C186 PolarHBondContact O-N 2.97Å; L184-C186 VanDerWaalsContact O-N 3.16Å; L184-C186 PolarHBondContact O-SG 3.16Å; L184-C186 VanDerWaalsContact O-SG 3.33Å; C186-G227 WeakPolarHBondContact O-CA 3.37Å; C186-P257 HydrophobicContact CB-CG 3.99Å
187K97.1Very high97Very high169 Ų16946.9 Ų46.974%0.73524%0.238SC*.  trans-71.4141.4166.5-67-65.4-170.6178.10109S225K187-S225 WeakPolarHBondContact CA-O 3.4Å; K187-S225 WeakPolarHBondContact CD-O 3.38Å
188L97.1Very high96.7Very high11 Ų1153.8 Ų53.86%0.05827%0.267CS..  trans-120.5128.9-173.8-63.7177.4000111.4L184 L190 I193 I223 S225 V251 F256L184-L188 HydrophobicContact CD1-CD1 3.98Å; L188-L190 HydrophobicContact CB-CD2 4.3Å; L188-L190 PolarHBondContact O-N 2.93Å; L188-I193 HydrophobicContact CB-CD1 3.93Å; L188-I193 HydrophobicContact CD1-CD1 4.07Å; L188-I193 HydrophobicContact CD2-CD1 4.33Å; L188-I193 HydrophobicContact CG-CD1 4.33Å; L188-I223 HydrophobicContact CD1-CG2 3.61Å; L188-S225 PolarHBondContact N-O 3.42Å; L188-V251 HydrophobicContact CD1-CG1 4.25Å; L188-V251 HydrophobicContact CD2-CG1 3.74Å; L188-F256 HydrophobicContact CD2-CB 3.99Å; L188-F256 HydrophobicContact CD2-CD1 3.63Å; L188-F256 HydrophobicContact CD2-CD2 4.36Å; L188-F256 HydrophobicContact CD2-CE1 4.14Å; L188-F256 HydrophobicContact CD2-CG 3.75Å
189D97.5Very high96.5Very high80 Ų8059.5 Ų59.543%0.42830%0.297SS..  trans-78.8103.4164.5176.222.4000109.6R191 K192 I193 F256D189-R191 PolarHBondContact O-N 3.07Å; D189-R191 WeakPolarHBondContact OD1-CB 3.45Å; D189-R191 PolarHBondContact OD1-N 3.05Å; D189-K192 HydrophobicContact CB-CB 4.1Å; D189-K192 PolarHBondContact O-N 2.86Å; D189-K192 WeakPolarHBondContact OD2-CB 3.49Å; D189-K192 PolarHBondContact OD2-N 3.22Å; D189-I193 WeakPolarHBondContact O-CG1 3.28Å; D189-I193 PolarHBondContact O-N 3.35Å; D189-F256 HydrophobicContact CB-CE1 4.48Å; D189-F256 HydrophobicContact CB-CZ 4.41Å
190L97.2Very high96.4Very high7 Ų759.9 Ų59.94%0.03730%0.3CS..Hα-helixtrans-62.5-26.4177.8-60.4-168.1000112.9L188 I193 A194 Y202 V210 I223L188-L190 HydrophobicContact CB-CD2 4.3Å; L188-L190 PolarHBondContact O-N 2.93Å; L190-I193 HydrophobicContact CD2-CD1 4.41Å; L190-A194 VanDerWaalsContact O-CB 3.29Å; L190-A194 WeakPolarHBondContact O-CB 3.39Å; L190-A194 PolarHBondContact O-N 3.49Å; L190-Y202 HydrophobicContact CB-CD2 4.4Å; L190-Y202 HydrophobicContact CB-CE1 4.05Å; L190-Y202 HydrophobicContact CB-CE2 3.77Å; L190-Y202 HydrophobicContact CD1-CE2 3.78Å; L190-Y202 HydrophobicContact CG-CE2 4.46Å; L190-V210 HydrophobicContact CB-CG2 3.72Å; L190-V210 HydrophobicContact CD1-CG2 4.48Å; L190-V210 HydrophobicContact CD2-CG2 3.92Å; L190-V210 HydrophobicContact CG-CG2 4.22Å; L190-V210 WeakPolarHBondContact O-CG2 3.47Å; L190-I223 WeakPolarHBondContact CD2-O 3.28Å
191R96.5Very high96.3Very high179 Ų17964.3 Ų64.368%0.67532%0.32SS*.Hα-helixtrans-71.3-50.1175-64.9178-179.2-124.74.2110.7D189 I193 A194 L195 Y202D189-R191 PolarHBondContact O-N 3.07Å; D189-R191 WeakPolarHBondContact OD1-CB 3.45Å; D189-R191 PolarHBondContact OD1-N 3.05Å; R191-I193 VanDerWaalsContact C-N 3.28Å; R191-I193 PolarHBondContact O-N 3.42Å; R191-A194 PolarHBondContact O-N 3.42Å; R191-L195 WeakPolarHBondContact O-CB 3.27Å; R191-L195 PolarHBondContact O-N 3.15Å; R191-Y202 HydrophobicContact CG-CE1 3.91Å
192K96.6Very high96.3Very high81 Ų8167 Ų6735%0.35233%0.33SS..Hα-helixtrans-57.1-40.2173.4-179.1-177.3171.7-157.70111.8D189 N196 L254 F256D189-K192 HydrophobicContact CB-CB 4.1Å; D189-K192 PolarHBondContact O-N 2.86Å; D189-K192 WeakPolarHBondContact OD2-CB 3.49Å; D189-K192 PolarHBondContact OD2-N 3.22Å; K192-N196 PolarHBondContact O-N 2.82Å; K192-N196 PolarHBondContact O-ND2 2.98Å; K192-L254 WeakPolarHBondContact CE-O 3.5Å; K192-L254 PolarHBondContact NZ-O 3.27Å; K192-F256 HydrophobicContact CB-CZ 4.2Å; K192-F256 HydrophobicContact CD-CE2 4.14Å; K192-F256 HydrophobicContact CD-CZ 3.79Å; K192-F256 HydrophobicContact CG-CE2 4.4Å; K192-F256 HydrophobicContact CG-CZ 4.18Å
193I97.1Very high96.2Very high0 Ų070.9 Ų70.90%035%0.349CS..Hα-helixtrans-62.3-54.7175-66.7171.4000110.6L188 D189 L190 R191 L195 N196 A197 V210 M212 I223 V251 L254 F256L188-I193 HydrophobicContact CB-CD1 3.93Å; L188-I193 HydrophobicContact CD1-CD1 4.07Å; L188-I193 HydrophobicContact CD2-CD1 4.33Å; L188-I193 HydrophobicContact CG-CD1 4.33Å; D189-I193 WeakPolarHBondContact O-CG1 3.28Å; D189-I193 PolarHBondContact O-N 3.35Å; L190-I193 HydrophobicContact CD2-CD1 4.41Å; R191-I193 VanDerWaalsContact C-N 3.28Å; R191-I193 PolarHBondContact O-N 3.42Å; I193-L195 PolarHBondContact O-N 3.39Å; I193-N196 PolarHBondContact O-N 2.89Å; I193-A197 HydrophobicContact CG2-CB 4.42Å; I193-A197 VanDerWaalsContact O-CB 3.24Å; I193-A197 WeakPolarHBondContact O-CB 3.25Å; I193-A197 PolarHBondContact O-N 3.26Å; I193-V210 HydrophobicContact CG2-CG1 4.2Å; I193-V210 HydrophobicContact CG2-CG2 4.38Å; I193-M212 HydrophobicContact CG2-CE 3.9Å; I193-I223 HydrophobicContact CD1-CG2 4.38Å; I193-V251 HydrophobicContact CD1-CG1 4.14Å; I193-V251 HydrophobicContact CD1-CG2 4.44Å; I193-L254 HydrophobicContact CB-CD1 4.46Å; I193-L254 HydrophobicContact CG1-CD1 4.3Å; I193-L254 HydrophobicContact CG2-CD1 4.32Å; I193-F256 HydrophobicContact CD1-CE2 4.17Å; I193-F256 HydrophobicContact CD1-CZ 4.37Å; I193-F256 HydrophobicContact CG1-CD2 4.38Å; I193-F256 HydrophobicContact CG1-CE2 3.54Å; I193-F256 HydrophobicContact CG1-CZ 3.9Å
194A96.1Very high96Very high29 Ų2972.1 Ų72.124%0.2436%0.36CS..Hα-helixtrans-65.2-23.3-175.400000114.6L190 R191 Y202 V210L190-A194 VanDerWaalsContact O-CB 3.29Å; L190-A194 WeakPolarHBondContact O-CB 3.39Å; L190-A194 PolarHBondContact O-N 3.49Å; R191-A194 PolarHBondContact O-N 3.42Å; A194-Y202 HydrophobicContact CB-CD1 4Å; A194-Y202 HydrophobicContact CB-CG 4.08Å; A194-V210 HydrophobicContact CB-CG2 4.39Å
195L95.7Very high95.9Very high144 Ų14481.8 Ų81.875%0.75440%0.402SS*.Hα-helixtrans-81.1-30.5176.7-176.164.6000113.4R191 I193R191-L195 WeakPolarHBondContact O-CB 3.27Å; R191-L195 PolarHBondContact O-N 3.15Å; I193-L195 PolarHBondContact O-N 3.39Å
196N95.4Very high95.9Very high93 Ų9389.3 Ų89.350%0.49742%0.423SS..Hα-helixtrans-110.2-17.6-171.3-64.9-86.9000113.8K192 I193 L254K192-N196 PolarHBondContact O-N 2.82Å; K192-N196 PolarHBondContact O-ND2 2.98Å; I193-N196 PolarHBondContact O-N 2.89Å; N196-L254 HydrophobicContact CB-CD2 3.67Å
197A93.1Very high95.9Very high16 Ų1692.1 Ų92.113%0.13243%0.434CS..SBendtrans-83.4147.2175.100000111.9I193 T200 M212 L254I193-A197 HydrophobicContact CG2-CB 4.42Å; I193-A197 VanDerWaalsContact O-CB 3.24Å; I193-A197 WeakPolarHBondContact O-CB 3.25Å; I193-A197 PolarHBondContact O-N 3.26Å; A197-T200 HydrophobicContact CB-CG2 3.58Å; A197-T200 PolarHBondContact O-OG1 2.98Å; A197-M212 HydrophobicContact CB-CE 3.83Å; A197-L254 HydrophobicContact CB-CD1 4.31Å
198K92.2Very high95.8Very high185 Ų18587.2 Ų87.280%0.80442%0.424SS*.SBendtrans-85.1150166.7-63.2-177.4-179.8-177.50109.4T200K198-T200 VanDerWaalsContact C-N 3.35Å; K198-T200 PolarHBondContact O-N 3.37Å
199N93.5Very high95.8Very high120 Ų12086.8 Ų86.864%0.64242%0.422SS*.SBendtrans57.939.8177.2-48.4-48.5000114.5R213N199-R213 PolarHBondContact O-N 3.03Å; N199-R213 VanDerWaalsContact O-N 3.15Å
200T96.8Very high95.9Very high29 Ų2983 Ų8318%0.17840%0.402CS..EExtended strand (participates in β ladder)trans-112.1137.9173.542.90000113.4A197 K198 V210 I211 M212A197-T200 HydrophobicContact CB-CG2 3.58Å; A197-T200 PolarHBondContact O-OG1 2.98Å; K198-T200 VanDerWaalsContact C-N 3.35Å; K198-T200 PolarHBondContact O-N 3.37Å; T200-V210 HydrophobicContact CG2-CG1 3.6Å; T200-I211 CarbonylContact C-O 3.54Å; T200-I211 WeakPolarHBondContact CA-O 3.49Å; T200-M212 HydrophobicContact CG2-CB 3.82Å; T200-M212 HydrophobicContact CG2-CE 3.51Å; T200-M212 HydrophobicContact CG2-CG 3.65Å; T200-M212 HydrophobicContact CG2-SD 4.38Å
201E96.9Very high95.9Very high92 Ų9283.6 Ų83.643%0.4341%0.405SS..EExtended strand (participates in β ladder)trans-112.7131.3170.4-52158-132.300108.7I211 R213E201-I211 HydrophobicContact CB-CB 4.18Å; E201-I211 PolarHBondContact N-O 3.31Å; E201-I211 PolarHBondContact O-N 2.88Å; E201-R213 IonicContact OE1-CZ 3.49Å; E201-R213 IonicContact OE1-NE 3.03Å; E201-R213 PolarHBondContact OE1-NE 3.42Å; E201-R213 IonicContact OE1-NH2 2.76Å; E201-R213 PolarHBondContact OE1-NH2 3.11Å; E201-R213 IonicContact OE2-NH2 3.3Å
202Y97.8Very high96Very high71 Ų7175.3 Ų75.328%0.27837%0.374SS..  trans-144.8120.9176.2-179.5-126.1000111.6L190 R191 A194 P204 V210L190-Y202 HydrophobicContact CB-CD2 4.4Å; L190-Y202 HydrophobicContact CB-CE1 4.05Å; L190-Y202 HydrophobicContact CB-CE2 3.77Å; L190-Y202 HydrophobicContact CD1-CE2 3.78Å; L190-Y202 HydrophobicContact CG-CE2 4.46Å; R191-Y202 HydrophobicContact CG-CE1 3.91Å; A194-Y202 HydrophobicContact CB-CD1 4Å; A194-Y202 HydrophobicContact CB-CG 4.08Å; Y202-P204 HydrophobicContact CE1-CG 4.12Å; Y202-P204 HydrophobicContact CE2-CB 4.17Å; Y202-P204 HydrophobicContact CE2-CG 4.5Å; Y202-V210 HydrophobicContact CD2-CG2 3.82Å; Y202-V210 HydrophobicContact CE2-CG2 4.42Å; Y202-V210 HydrophobicContact CG-CG2 3.99Å
203N95.9Very high96.1Very high84 Ų8476.5 Ų76.545%0.44938%0.376SS..  trans-14296173.4178.8-8.2000109K205 R206 F207N203-K205 PolarHBondContact O-N 2.74Å; N203-K205 VanDerWaalsContact O-N 3.1Å; N203-K205 WeakPolarHBondContact OD1-CB 3.4Å; N203-K205 PolarHBondContact OD1-N 3Å; N203-K205 VanDerWaalsContact OD1-N 3.11Å; N203-R206 HydrophobicContact CB-CB 4.17Å; N203-R206 PolarHBondContact O-N 3.43Å; N203-R206 PolarHBondContact OD1-N 3.03Å; N203-F207 PolarHBondContact O-N 3.29Å; N203-F207 VanDerWaalsContact O-O 3.12Å
204P93.8Very high96Very high71 Ų7178.3 Ų78.346%0.46139%0.386SS..THydrogen-bonded Turntrans-66.5-12.3-175.525.1-33.3000114.4Y202 F207Y202-P204 HydrophobicContact CE1-CG 4.12Å; Y202-P204 HydrophobicContact CE2-CB 4.17Å; Y202-P204 HydrophobicContact CE2-CG 4.5Å; P204-F207 WeakPolarHBondContact CA-O 3.42Å
205K95.8Very high96Very high205 Ų20588 Ų8889%0.89142%0.416SS*.THydrogen-bonded Turntrans-79.5-22.4170.1-63.5-173.5177.6-175.70112.7N203N203-K205 PolarHBondContact O-N 2.74Å; N203-K205 VanDerWaalsContact O-N 3.1Å; N203-K205 WeakPolarHBondContact OD1-CB 3.4Å; N203-K205 PolarHBondContact OD1-N 3Å; N203-K205 VanDerWaalsContact OD1-N 3.11Å
206R95.8Very high95.9Very high191 Ų19186.3 Ų86.372%0.72140%0.404SS*.THydrogen-bonded Turntrans-97.2-44.1177.3-177-177.7179.6-82.4-2.9111.9N203N203-R206 HydrophobicContact CB-CB 4.17Å; N203-R206 PolarHBondContact O-N 3.43Å; N203-R206 PolarHBondContact OD1-N 3.03Å
207F95.7Very high95.9Very high78 Ų7882.5 Ų82.534%0.34238%0.384SS..  trans-156.6138-175.5-165.3-123.1000111.7N203 P204 A209 L222 F224N203-F207 PolarHBondContact O-N 3.29Å; N203-F207 VanDerWaalsContact O-O 3.12Å; P204-F207 WeakPolarHBondContact CA-O 3.42Å; F207-A209 HydrophobicContact CD1-CB 3.84Å; F207-A209 HydrophobicContact CE1-CB 3.65Å; F207-A209 PolarHBondContact O-N 3.33Å; F207-A209 VanDerWaalsContact O-N 3.13Å; F207-L222 HydrophobicContact CE1-CD1 4.16Å; F207-L222 HydrophobicContact CE1-CD2 4.29Å; F207-L222 HydrophobicContact CZ-CD1 4.33Å; F207-F224 HydrophobicContact CE1-CZ 4.44Å; F207-F224 HydrophobicContact CZ-CE1 4.34Å; F207-F224 HydrophobicContact CZ-CZ 4.13Å
208A95.4Very high96.1Very high65 Ų6592 Ų9254%0.53742%0.417SS..SBendtrans-85.829.1-171.400000114.7
209A97.6Very high96.4Very high2 Ų283.4 Ų83.42%0.01738%0.38CS..EExtended strand (participates in β ladder)trans-142.8155.2179.800000111F207 I223 F224F207-A209 HydrophobicContact CD1-CB 3.84Å; F207-A209 HydrophobicContact CE1-CB 3.65Å; F207-A209 PolarHBondContact O-N 3.33Å; F207-A209 VanDerWaalsContact O-N 3.13Å; A209-I223 CarbonylContact C-O 3.58Å; A209-I223 WeakPolarHBondContact CA-O 3.23Å; A209-I223 WeakPolarHBondContact CB-O 3.38Å; A209-F224 HydrophobicContact CB-CD1 3.85Å; A209-F224 HydrophobicContact CB-CD2 4.3Å; A209-F224 HydrophobicContact CB-CE1 3.89Å; A209-F224 HydrophobicContact CB-CE2 4.32Å; A209-F224 HydrophobicContact CB-CG 4.07Å; A209-F224 HydrophobicContact CB-CZ 4.12Å
210V98.3Very high96.6Very high0 Ų078.9 Ų78.90%036%0.357CS..EExtended strand (participates in β ladder)trans-82.1128.7168.31780000108.5L190 I193 A194 T200 Y202 I223L190-V210 HydrophobicContact CB-CG2 3.72Å; L190-V210 HydrophobicContact CD1-CG2 4.48Å; L190-V210 HydrophobicContact CD2-CG2 3.92Å; L190-V210 HydrophobicContact CG-CG2 4.22Å; L190-V210 WeakPolarHBondContact O-CG2 3.47Å; I193-V210 HydrophobicContact CG2-CG1 4.2Å; I193-V210 HydrophobicContact CG2-CG2 4.38Å; A194-V210 HydrophobicContact CB-CG2 4.39Å; T200-V210 HydrophobicContact CG2-CG1 3.6Å; Y202-V210 HydrophobicContact CD2-CG2 3.82Å; Y202-V210 HydrophobicContact CE2-CG2 4.42Å; Y202-V210 HydrophobicContact CG-CG2 3.99Å; V210-I223 HydrophobicContact CB-CB 4.44Å; V210-I223 PolarHBondContact N-O 3.09Å; V210-I223 PolarHBondContact O-N 3.16Å
211I98.3Very high96.7Very high21 Ų2177.5 Ų77.511%0.10835%0.348CS..EExtended strand (participates in β ladder)trans-88125.3168.5-51.4175.5000106.8T200 E201 T220 A221 L222T200-I211 CarbonylContact C-O 3.54Å; T200-I211 WeakPolarHBondContact CA-O 3.49Å; E201-I211 HydrophobicContact CB-CB 4.18Å; E201-I211 PolarHBondContact N-O 3.31Å; E201-I211 PolarHBondContact O-N 2.88Å; I211-T220 HydrophobicContact CG2-CG2 3.54Å; I211-A221 CarbonylContact C-O 3.59Å; I211-A221 WeakPolarHBondContact CA-O 3.21Å; I211-L222 HydrophobicContact CB-CD2 4.42Å; I211-L222 HydrophobicContact CG1-CD2 3.89Å; I211-L222 HydrophobicContact CG2-CD2 4.29Å
212M98.1Very high96.7Very high4 Ų475.2 Ų75.22%0.0234%0.339CS..EExtended strand (participates in β ladder)trans-126140177.6-169.3-179.5-71.900109.7I193 A197 T200 T220 A221 I223 Y247 V250I193-M212 HydrophobicContact CG2-CE 3.9Å; A197-M212 HydrophobicContact CB-CE 3.83Å; T200-M212 HydrophobicContact CG2-CB 3.82Å; T200-M212 HydrophobicContact CG2-CE 3.51Å; T200-M212 HydrophobicContact CG2-CG 3.65Å; T200-M212 HydrophobicContact CG2-SD 4.38Å; M212-T220 CarbonylContact O-C 3.51Å; M212-T220 WeakPolarHBondContact O-CA 3.29Å; M212-A221 PolarHBondContact N-O 3.25Å; M212-A221 PolarHBondContact O-N 2.76Å; M212-I223 HydrophobicContact CB-CD1 4.12Å; M212-I223 HydrophobicContact CE-CD1 3.75Å; M212-I223 HydrophobicContact SD-CD1 4.12Å; M212-Y247 HydrophobicContact CB-CD1 4.18Å; M212-Y247 HydrophobicContact CB-CE1 3.94Å; M212-Y247 HydrophobicContact CG-CD1 4.01Å; M212-Y247 HydrophobicContact CG-CE1 3.84Å; M212-Y247 PolarHBondContact O-OH 2.91Å; M212-Y247 HydrophobicContact SD-CD1 3.68Å; M212-Y247 HydrophobicContact SD-CE1 4.13Å; M212-V250 HydrophobicContact CE-CG1 4.01Å; M212-V250 HydrophobicContact SD-CB 4.35Å; M212-V250 HydrophobicContact SD-CG1 3.89Å
213R98Very high96.8Very high106 Ų10671.9 Ų71.940%0.433%0.326SS..EExtended strand (participates in β ladder)trans-129135.8-176.4-50.1-172.7-168.1-97.79112N199 E201 T220N199-R213 PolarHBondContact O-N 3.03Å; N199-R213 VanDerWaalsContact O-N 3.15Å; E201-R213 IonicContact OE1-CZ 3.49Å; E201-R213 IonicContact OE1-NE 3.03Å; E201-R213 PolarHBondContact OE1-NE 3.42Å; E201-R213 IonicContact OE1-NH2 2.76Å; E201-R213 PolarHBondContact OE1-NH2 3.11Å; E201-R213 IonicContact OE2-NH2 3.3Å; R213-T220 HydrophobicContact CG-CG2 4.2Å; R213-T220 PolarHBondContact NH1-OG1 2.87Å
214I96.5Very high96.9Very high38 Ų3870.4 Ų70.420%0.19532%0.315CS..EExtended strand (participates in β ladder)trans-123.4153172.569-178.8000110.9T219 K246 Y247I214-T219 VanDerWaalsContact CG1-OG1 3.27Å; I214-T219 WeakPolarHBondContact CG1-OG1 3.09Å; I214-T219 PolarHBondContact N-O 2.9Å; I214-T219 PolarHBondContact O-N 2.57Å; I214-K246 HydrophobicContact CD1-CB 3.93Å; I214-K246 HydrophobicContact CD1-CD 4.03Å; I214-Y247 HydrophobicContact CD1-CE2 4.12Å; I214-Y247 HydrophobicContact CG1-CE1 4.43Å; I214-Y247 HydrophobicContact CG1-CE2 4.34Å; I214-Y247 HydrophobicContact CG2-CD1 4.45Å; I214-Y247 HydrophobicContact CG2-CE1 3.82Å; I214-Y247 PolarHBondContact N-OH 2.9Å
215R95.1Very high97.1Very high234 Ų23470.1 Ų70.188%0.88332%0.315SS*.THydrogen-bonded Turntrans-80.8-29.1-178.2-67.9-176.8-179.8173.40.2113.4P217 R218R215-P217 CarbonylContact O-C 3.53Å; R215-R218 VanDerWaalsContact O-CA 3.29Å; R215-R218 WeakPolarHBondContact O-CA 3.3Å; R215-R218 WeakPolarHBondContact O-CB 3.46Å; R215-R218 PolarHBondContact O-N 3.44Å; R215-R218 VanDerWaalsContact O-N 3.16Å
216E93.7Very high97.1Very high107 Ų10762.4 Ų62.450%0.529%0.287SS..THydrogen-bonded Turntrans-139.3111-171-173.2169.6-119.300113.2K246E216-K246 WeakPolarHBondContact O-CD 3.37Å; E216-K246 PolarHBondContact O-NZ 2.71Å
217P95.9Very high97.2Very high13 Ų1353.3 Ų53.38%0.08425%0.253CS..THydrogen-bonded Turncis-64.8151.3-13.631-35.8000110.5R215 T219 E239 A243R215-P217 CarbonylContact O-C 3.53Å; P217-T219 HydrophobicContact CB-CG2 4.34Å; P217-T219 HydrophobicContact CG-CG2 4.07Å; P217-T219 WeakPolarHBondContact O-CG2 3.49Å; P217-T219 PolarHBondContact O-N 3.31Å; P217-T219 PolarHBondContact O-OG1 3.03Å; P217-E239 HydrophobicContact CB-CB 4.12Å; P217-E239 HydrophobicContact CB-CG 4.09Å; P217-E239 HydrophobicContact CG-CB 4.09Å; P217-E239 HydrophobicContact CG-CG 4.47Å; P217-A243 HydrophobicContact CG-CB 3.9Å
218R96.9Very high97.3Very high216 Ų21652.7 Ų52.782%0.81525%0.25SC*.THydrogen-bonded Turntrans-67.991.9-172.8-175.9-177.6172.6178.2-3.3111.2R215R215-R218 VanDerWaalsContact O-CA 3.29Å; R215-R218 WeakPolarHBondContact O-CA 3.3Å; R215-R218 WeakPolarHBondContact O-CB 3.46Å; R215-R218 PolarHBondContact O-N 3.44Å; R215-R218 VanDerWaalsContact O-N 3.16Å
219T98.1Very high97.4Very high5 Ų549.7 Ų49.73%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-132.7169.1-167.951.20000112.1I214 P217 T232 A234 A243 Y247I214-T219 VanDerWaalsContact CG1-OG1 3.27Å; I214-T219 WeakPolarHBondContact CG1-OG1 3.09Å; I214-T219 PolarHBondContact N-O 2.9Å; I214-T219 PolarHBondContact O-N 2.57Å; P217-T219 HydrophobicContact CB-CG2 4.34Å; P217-T219 HydrophobicContact CG-CG2 4.07Å; P217-T219 WeakPolarHBondContact O-CG2 3.49Å; P217-T219 PolarHBondContact O-N 3.31Å; P217-T219 PolarHBondContact O-OG1 3.03Å; T219-T232 CarbonylContact C-O 3.54Å; T219-T232 VanDerWaalsContact CA-O 3.25Å; T219-T232 WeakPolarHBondContact CA-O 3.35Å; T219-T232 VanDerWaalsContact CB-O 3.27Å; T219-T232 WeakPolarHBondContact CB-O 3.34Å; T219-A234 HydrophobicContact CG2-CB 3.96Å; T219-A243 HydrophobicContact CG2-CB 3.84Å; T219-Y247 PolarHBondContact O-OH 3Å; T219-Y247 VanDerWaalsContact O-OH 3.05Å; T219-Y247 PolarHBondContact OG1-OH 3.02Å; T219-Y247 VanDerWaalsContact OG1-OH 3.07Å
220T98.2Very high97.5Very high25 Ų2550.7 Ų50.715%0.15323%0.231CC..EExtended strand (participates in β ladder)trans-132.2136.7168.6-660000109.3I211 M212 R213 T232 Y247I211-T220 HydrophobicContact CG2-CG2 3.54Å; M212-T220 CarbonylContact O-C 3.51Å; M212-T220 WeakPolarHBondContact O-CA 3.29Å; R213-T220 HydrophobicContact CG-CG2 4.2Å; R213-T220 PolarHBondContact NH1-OG1 2.87Å; T220-T232 PolarHBondContact N-O 2.92Å; T220-T232 PolarHBondContact O-N 3.47Å; T220-T232 PolarHBondContact O-OG1 2.91Å; T220-Y247 WeakPolarHBondContact CA-OH 3.39Å; T220-Y247 PolarHBondContact N-OH 3.1Å
221A98.3Very high97.5Very high0 Ų050.8 Ų50.80%023%0.232CC..EExtended strand (participates in β ladder)trans-111145.1171.300000112.1I211 M212 I223 V229 V230 Y247I211-A221 CarbonylContact C-O 3.59Å; I211-A221 WeakPolarHBondContact CA-O 3.21Å; M212-A221 PolarHBondContact N-O 3.25Å; M212-A221 PolarHBondContact O-N 2.76Å; A221-I223 HydrophobicContact CB-CG1 4.36Å; A221-V229 HydrophobicContact CB-CG1 4.02Å; A221-V230 CarbonylContact C-O 3.58Å; A221-V230 WeakPolarHBondContact CA-O 3.23Å; A221-Y247 HydrophobicContact CB-CD1 3.62Å; A221-Y247 HydrophobicContact CB-CD2 3.59Å; A221-Y247 HydrophobicContact CB-CE1 3.59Å; A221-Y247 HydrophobicContact CB-CE2 3.6Å; A221-Y247 HydrophobicContact CB-CG 3.63Å; A221-Y247 PolarHBondContact N-OH 3.11Å
222L98.3Very high97.4Very high43 Ų4351.8 Ų51.823%0.22524%0.239CC..EExtended strand (participates in β ladder)trans-110110.8168.7-50.4178.2000107.7F207 I211 F224 V229 V230F207-L222 HydrophobicContact CE1-CD1 4.16Å; F207-L222 HydrophobicContact CE1-CD2 4.29Å; F207-L222 HydrophobicContact CZ-CD1 4.33Å; I211-L222 HydrophobicContact CB-CD2 4.42Å; I211-L222 HydrophobicContact CG1-CD2 3.89Å; I211-L222 HydrophobicContact CG2-CD2 4.29Å; L222-F224 HydrophobicContact CB-CE2 3.94Å; L222-F224 HydrophobicContact CB-CZ 4.46Å; L222-V229 WeakPolarHBondContact O-CA 3.41Å; L222-V230 HydrophobicContact CB-CB 4.25Å; L222-V230 HydrophobicContact CD1-CB 4.49Å; L222-V230 PolarHBondContact N-O 2.76Å; L222-V230 PolarHBondContact O-N 2.87Å
223I98.3Very high97.3Very high1 Ų153.3 Ų53.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-105.5113.9-174.1-56.1171.5000109L188 L190 I193 A209 V210 M212 A221 V229 V251L188-I223 HydrophobicContact CD1-CG2 3.61Å; L190-I223 WeakPolarHBondContact CD2-O 3.28Å; I193-I223 HydrophobicContact CD1-CG2 4.38Å; A209-I223 CarbonylContact C-O 3.58Å; A209-I223 WeakPolarHBondContact CA-O 3.23Å; A209-I223 WeakPolarHBondContact CB-O 3.38Å; V210-I223 HydrophobicContact CB-CB 4.44Å; V210-I223 PolarHBondContact N-O 3.09Å; V210-I223 PolarHBondContact O-N 3.16Å; M212-I223 HydrophobicContact CB-CD1 4.12Å; M212-I223 HydrophobicContact CE-CD1 3.75Å; M212-I223 HydrophobicContact SD-CD1 4.12Å; A221-I223 HydrophobicContact CB-CG1 4.36Å; I223-V229 HydrophobicContact CG1-CG1 4.38Å; I223-V229 HydrophobicContact CG1-CG2 4.23Å; I223-V229 HydrophobicContact CG2-CG2 4.39Å; I223-V251 HydrophobicContact CD1-CG2 4.03Å
224F98.3Very high97.3Very high53 Ų5348.3 Ų48.323%0.23224%0.236CC..EExtended strand (participates in β ladder)trans-93.4152.6-177.7-64.9-97.2000111.4F207 A209 L222 S226 G227 K228 V230F207-F224 HydrophobicContact CE1-CZ 4.44Å; F207-F224 HydrophobicContact CZ-CE1 4.34Å; F207-F224 HydrophobicContact CZ-CZ 4.13Å; A209-F224 HydrophobicContact CB-CD1 3.85Å; A209-F224 HydrophobicContact CB-CD2 4.3Å; A209-F224 HydrophobicContact CB-CE1 3.89Å; A209-F224 HydrophobicContact CB-CE2 4.32Å; A209-F224 HydrophobicContact CB-CG 4.07Å; A209-F224 HydrophobicContact CB-CZ 4.12Å; L222-F224 HydrophobicContact CB-CE2 3.94Å; L222-F224 HydrophobicContact CB-CZ 4.46Å; F224-S226 PolarHBondContact O-N 3.04Å; F224-G227 PolarHBondContact O-N 3.24Å; F224-K228 HydrophobicContact CB-CB 4.44Å; F224-K228 HydrophobicContact CD2-CB 4.46Å; F224-K228 WeakPolarHBondContact CD2-O 3.45Å; F224-K228 PolarHBondContact N-O 2.98Å; F224-V230 HydrophobicContact CE2-CG2 3.98Å
225S97.7Very high97.3Very high65 Ų6552.4 Ų52.446%0.45525%0.253SS..THydrogen-bonded Turntrans-62.2-16.5178.558.90000113.8K187 L188 G227K187-S225 WeakPolarHBondContact CA-O 3.4Å; K187-S225 WeakPolarHBondContact CD-O 3.38Å; L188-S225 PolarHBondContact N-O 3.42Å; S225-G227 VanDerWaalsContact C-N 3.29Å
226S97.3Very high97.4Very high44 Ų4442.5 Ų42.531%0.30822%0.219SC..THydrogen-bonded Turntrans-73.8-13.2172.558.80000114.6F224 K228F224-S226 PolarHBondContact O-N 3.04Å; S226-K228 PolarHBondContact OG-N 2.94Å
227G96.8Very high97.5Very high0 Ų039.1 Ų39.10%020%0.203CC..SBendtrans89.1-6.9-17000000114.2N183 L184 C186 F224 S225N183-G227 CarbonylContact C-O 3.38Å; N183-G227 WeakPolarHBondContact CA-O 3.43Å; N183-G227 PolarHBondContact OD1-O 2.74Å; L184-G227 PolarHBondContact N-O 2.76Å; C186-G227 WeakPolarHBondContact O-CA 3.37Å; F224-G227 PolarHBondContact O-N 3.24Å; S225-G227 VanDerWaalsContact C-N 3.29Å
228K97.9Very high97.6Very high64 Ų6443.8 Ų43.828%0.27822%0.224SC..EExtended strand (participates in β ladder)trans-65.4137.6170.3-171.8176.3-178.5178.90109.5F224 S226F224-K228 HydrophobicContact CB-CB 4.44Å; F224-K228 HydrophobicContact CD2-CB 4.46Å; F224-K228 WeakPolarHBondContact CD2-O 3.45Å; F224-K228 PolarHBondContact N-O 2.98Å; S226-K228 PolarHBondContact OG-N 2.94Å
229V98.3Very high97.7Very high3 Ų336.9 Ų36.92%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-125.2131.3173.3-179.60000108.4T181 A182 L184 A221 L222 I223T181-V229 CarbonylContact C-O 3.58Å; T181-V229 WeakPolarHBondContact CA-O 3.39Å; A182-V229 PolarHBondContact N-O 2.89Å; A182-V229 PolarHBondContact O-N 2.85Å; L184-V229 HydrophobicContact CD1-CG2 3.62Å; L184-V229 HydrophobicContact CD2-CG2 4.24Å; L184-V229 HydrophobicContact CG-CG2 3.7Å; A221-V229 HydrophobicContact CB-CG1 4.02Å; L222-V229 WeakPolarHBondContact O-CA 3.41Å; I223-V229 HydrophobicContact CG1-CG1 4.38Å; I223-V229 HydrophobicContact CG1-CG2 4.23Å; I223-V229 HydrophobicContact CG2-CG2 4.39Å
230V98.5Very high97.7Very high23 Ų2336.6 Ų36.614%0.13920%0.2CC..EExtended strand (participates in β ladder)trans-103.9136.8165-177.40000107.3V179 S180 T181 A221 L222 F224 T232V179-V230 HydrophobicContact CG1-CG1 4.22Å; S180-V230 CarbonylContact O-C 3.55Å; S180-V230 WeakPolarHBondContact O-CA 3.47Å; T181-V230 HydrophobicContact CG2-CG2 4.02Å; A221-V230 CarbonylContact C-O 3.58Å; A221-V230 WeakPolarHBondContact CA-O 3.23Å; L222-V230 HydrophobicContact CB-CB 4.25Å; L222-V230 HydrophobicContact CD1-CB 4.49Å; L222-V230 PolarHBondContact N-O 2.76Å; L222-V230 PolarHBondContact O-N 2.87Å; F224-V230 HydrophobicContact CE2-CG2 3.98Å; V230-T232 HydrophobicContact CG1-CG2 4.23Å
231C98.3Very high97.7Very high2 Ų242 Ų421%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-126.2133.4178.8-175.60000110.4V179 S180V179-C231 WeakPolarHBondContact CA-O 3.27Å; S180-C231 PolarHBondContact N-O 3.4Å; S180-C231 PolarHBondContact O-N 2.91Å
232T98Very high97.7Very high42 Ų4245.2 Ų45.226%0.25823%0.234SC..EExtended strand (participates in β ladder)trans-138.5161.9-175.667.10000112.2V179 T219 T220 V230V179-T232 HydrophobicContact CB-CG2 4.49Å; V179-T232 HydrophobicContact CG1-CG2 4.09Å; V179-T232 HydrophobicContact CG2-CG2 4.05Å; T219-T232 CarbonylContact C-O 3.54Å; T219-T232 VanDerWaalsContact CA-O 3.25Å; T219-T232 WeakPolarHBondContact CA-O 3.35Å; T219-T232 VanDerWaalsContact CB-O 3.27Å; T219-T232 WeakPolarHBondContact CB-O 3.34Å; T220-T232 PolarHBondContact N-O 2.92Å; T220-T232 PolarHBondContact O-N 3.47Å; T220-T232 PolarHBondContact O-OG1 2.91Å; V230-T232 HydrophobicContact CG1-CG2 4.23Å
233G95.9Very high97.7Very high36 Ų3643.2 Ų43.237%0.37122%0.223SC..EExtended strand (participates in β ladder)trans92.3-3.9175.600000115.4N177N177-G233 WeakPolarHBondContact OD1-CA 3.31Å; N177-G233 PolarHBondContact OD1-N 2.84Å
234A97.4Very high97.7Very high0 Ų043.3 Ų43.30%023%0.225CC..EExtended strand (participates in β ladder)trans-72.3145.8172.700000110.2N177 V178 T219 E239N177-A234 CarbonylContact C-O 3.57Å; N177-A234 VanDerWaalsContact CA-O 3.31Å; N177-A234 WeakPolarHBondContact CA-O 3.49Å; V178-A234 PolarHBondContact N-O 2.92Å; T219-A234 HydrophobicContact CG2-CB 3.96Å; A234-E239 HydrophobicContact CB-CB 3.86Å
235K95.7Very high97.6Very high125 Ų12543.9 Ų43.954%0.54323%0.225SC..SBendtrans-92.7-13.4177-67-171.7174.6-170.20113.5L175 E239L175-K235 VanDerWaalsContact CB-O 3.23Å; L175-K235 WeakPolarHBondContact CB-O 3.5Å; K235-E239 PolarHBondContact N-OE2 3.01Å
236S97.4Very high97.7Very high25 Ų2542.3 Ų42.318%0.17521%0.21CC..SBendtrans-137.5165.2172.892.20000113.1E238 E239 S240S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 WeakPolarHBondContact CB-OE2 3.19Å; S236-E238 PolarHBondContact OG-N 3.39Å; S236-E238 PolarHBondContact OG-OE2 3.28Å; S236-E239 PolarHBondContact O-N 2.85Å; S236-E239 PolarHBondContact OG-N 2.82Å; S236-E239 VanDerWaalsContact OG-N 3.11Å; S236-S240 WeakPolarHBondContact O-CB 3.37Å; S236-S240 PolarHBondContact O-N 2.85Å
237E97.1Very high97.7Very high36 Ų3640.2 Ų40.217%0.16820%0.196CC..Hα-helixtrans-64.2-35.4176.8-57.390.5115.800111.4L175 V178 R241 I265 M268 R328L175-E237 WeakPolarHBondContact CD1-OE2 3.29Å; V178-E237 HydrophobicContact CG1-CG 4.47Å; E237-R241 WeakPolarHBondContact O-CB 3.27Å; E237-R241 PolarHBondContact O-N 2.85Å; E237-I265 HydrophobicContact CB-CD1 4.26Å; E237-I265 HydrophobicContact CG-CD1 4.37Å; E237-I265 HydrophobicContact CG-CG1 4.28Å; E237-M268 HydrophobicContact CG-CE 3.84Å; E237-M268 HydrophobicContact CG-SD 4.16Å; E237-M268 WeakPolarHBondContact OE1-CE 3.31Å; E237-R328 IonicContact OE1-CZ 3.68Å; E237-R328 VanDerWaalsContact OE1-CZ 3.3Å; E237-R328 IonicContact OE1-NE 3.42Å; E237-R328 PolarHBondContact OE1-NE 3.21Å; E237-R328 IonicContact OE1-NH2 3.94Å; E237-R328 PolarHBondContact OE1-NH2 2.95Å; E237-R328 IonicContact OE2-CZ 2.64Å; E237-R328 IonicContact OE2-NE 3.61Å; E237-R328 PolarHBondContact OE2-NE 2.95Å; E237-R328 IonicContact OE2-NH2 2.66Å; E237-R328 PolarHBondContact OE2-NH2 3.46Å
238E97.6Very high97.7Very high111 Ų11140.5 Ų40.552%0.51920%0.198SC..Hα-helixtrans-71.1-46176-51.376.6-164.500111S236 S240 R241 L242 R328S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 WeakPolarHBondContact CB-OE2 3.19Å; S236-E238 PolarHBondContact OG-N 3.39Å; S236-E238 PolarHBondContact OG-OE2 3.28Å; E238-S240 VanDerWaalsContact C-N 3.32Å; E238-S240 PolarHBondContact O-N 2.83Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-L242 WeakPolarHBondContact O-CB 3.38Å; E238-L242 PolarHBondContact O-N 2.96Å; E238-R328 IonicContact OE1-NH2 2.79Å; E238-R328 PolarHBondContact OE1-NH2 2.83Å; E238-R328 IonicContact OE2-NH2 3.19Å
239E97.8Very high97.7Very high71 Ų7140.9 Ų40.933%0.33220%0.198SC..Hα-helixtrans-58.4-44.1171.2-77.8-170.7168.300111.5P217 A234 K235 S236 R241 L242 A243P217-E239 HydrophobicContact CB-CB 4.12Å; P217-E239 HydrophobicContact CB-CG 4.09Å; P217-E239 HydrophobicContact CG-CB 4.09Å; P217-E239 HydrophobicContact CG-CG 4.47Å; A234-E239 HydrophobicContact CB-CB 3.86Å; K235-E239 PolarHBondContact N-OE2 3.01Å; S236-E239 PolarHBondContact O-N 2.85Å; S236-E239 PolarHBondContact OG-N 2.82Å; S236-E239 VanDerWaalsContact OG-N 3.11Å; E239-R241 VanDerWaalsContact C-N 3.31Å; E239-R241 PolarHBondContact O-N 2.95Å; E239-L242 PolarHBondContact O-N 2.84Å; E239-A243 VanDerWaalsContact O-CB 3.3Å; E239-A243 WeakPolarHBondContact O-CB 3.45Å; E239-A243 PolarHBondContact O-N 3.06Å
240S98.3Very high97.6Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-63.6-38.5-180-156.80000111.3V178 S180 S236 E238 A244V178-S240 PolarHBondContact O-OG 3.31Å; S180-S240 WeakPolarHBondContact CB-OG 3.33Å; S180-S240 PolarHBondContact OG-OG 2.92Å; S236-S240 WeakPolarHBondContact O-CB 3.37Å; S236-S240 PolarHBondContact O-N 2.85Å; E238-S240 VanDerWaalsContact C-N 3.32Å; E238-S240 PolarHBondContact O-N 2.83Å; S240-A244 WeakPolarHBondContact O-CB 3.34Å; S240-A244 PolarHBondContact O-N 2.85Å
241R98.1Very high97.6Very high137 Ų13742.3 Ų42.352%0.51721%0.207SC..Hα-helixtrans-68-44.1173.8-170.4-177.4-63.7-122.10.9112.5E237 E238 E239 A244 R245 F263E237-R241 WeakPolarHBondContact O-CB 3.27Å; E237-R241 PolarHBondContact O-N 2.85Å; E238-R241 PolarHBondContact O-N 2.75Å; E239-R241 VanDerWaalsContact C-N 3.31Å; E239-R241 PolarHBondContact O-N 2.95Å; R241-A244 PolarHBondContact O-N 2.97Å; R241-R245 PolarHBondContact O-N 3.37Å; R241-F263 HydrophobicContact CB-CD1 4.47Å; R241-F263 HydrophobicContact CB-CE1 3.87Å; R241-F263 HydrophobicContact CB-CE2 4.08Å; R241-F263 HydrophobicContact CB-CZ 3.64Å; R241-F263 HydrophobicContact CG-CD1 4.22Å; R241-F263 HydrophobicContact CG-CE1 4.11Å; R241-F263 HydrophobicContact CG-CE2 4.43Å; R241-F263 HydrophobicContact CG-CG 4.44Å; R241-F263 HydrophobicContact CG-CZ 4.22Å
242L98.3Very high97.5Very high69 Ų6946 Ų4636%0.36122%0.223SC..Hα-helixtrans-63.1-44.7177.2178.260000111.2L12 E238 E239 R245 K246L12-L242 HydrophobicContact CD2-CD1 3.95Å; E238-L242 WeakPolarHBondContact O-CB 3.38Å; E238-L242 PolarHBondContact O-N 2.96Å; E239-L242 PolarHBondContact O-N 2.84Å; L242-R245 PolarHBondContact O-N 3.32Å; L242-K246 WeakPolarHBondContact O-CG 3.44Å; L242-K246 PolarHBondContact O-N 3.19Å
243A98.3Very high97.4Very high0 Ų050 Ų500%024%0.237CC..Hα-helixtrans-57.2-52173.800000111P217 T219 E239 R245 K246 Y247P217-A243 HydrophobicContact CG-CB 3.9Å; T219-A243 HydrophobicContact CG2-CB 3.84Å; E239-A243 VanDerWaalsContact O-CB 3.3Å; E239-A243 WeakPolarHBondContact O-CB 3.45Å; E239-A243 PolarHBondContact O-N 3.06Å; A243-R245 VanDerWaalsContact C-N 3.28Å; A243-R245 PolarHBondContact O-N 2.85Å; A243-K246 PolarHBondContact O-N 2.89Å; A243-Y247 HydrophobicContact CB-CD2 4.41Å; A243-Y247 HydrophobicContact CB-CE2 4.13Å; A243-Y247 WeakPolarHBondContact O-CD2 3.34Å; A243-Y247 PolarHBondContact O-N 3.4Å
244A98.1Very high97.5Very high4 Ų449.9 Ų49.93%0.03323%0.228CC..Hα-helixtrans-59.5-36.5179.700000112.6A182 S240 R241 A248 F260 F263A182-A244 HydrophobicContact CB-CB 4.46Å; S240-A244 WeakPolarHBondContact O-CB 3.34Å; S240-A244 PolarHBondContact O-N 2.85Å; R241-A244 PolarHBondContact O-N 2.97Å; A244-A248 WeakPolarHBondContact O-CB 3.44Å; A244-A248 PolarHBondContact O-N 3.49Å; A244-F260 HydrophobicContact CB-CE2 3.69Å; A244-F260 HydrophobicContact CB-CZ 3.95Å; A244-F263 HydrophobicContact CB-CD2 4.03Å; A244-F263 HydrophobicContact CB-CE2 3.94Å
245R97.9Very high97.4Very high65 Ų6552.8 Ų52.825%0.24526%0.258CS..Hα-helixtrans-65.8-45.4169.6-76.5178.476.5163.86.6112.5E8 D9 R241 L242 A243 Y247 A248 R249 F260E8-R245 IonicContact OE1-NH1 3.77Å; E8-R245 IonicContact OE2-CZ 3.7Å; E8-R245 IonicContact OE2-NH1 3.59Å; E8-R245 PolarHBondContact OE2-NH1 3.05Å; E8-R245 IonicContact OE2-NH2 3.97Å; E8-R245 PolarHBondContact OE2-NH2 3.26Å; D9-R245 IonicContact OD1-NH2 2.71Å; R241-R245 PolarHBondContact O-N 3.37Å; L242-R245 PolarHBondContact O-N 3.32Å; A243-R245 VanDerWaalsContact C-N 3.28Å; A243-R245 PolarHBondContact O-N 2.85Å; R245-Y247 VanDerWaalsContact C-N 3.35Å; R245-Y247 PolarHBondContact O-N 3.05Å; R245-A248 WeakPolarHBondContact O-CB 3.43Å; R245-A248 PolarHBondContact O-N 3.1Å; R245-R249 WeakPolarHBondContact O-CB 3.3Å; R245-R249 PolarHBondContact O-N 3.24Å; R245-F260 HydrophobicContact CG-CD1 4.22Å; R245-F260 HydrophobicContact CG-CE1 3.98Å; R245-F260 HydrophobicContact CG-CE2 4.31Å; R245-F260 HydrophobicContact CG-CG 4.48Å; R245-F260 HydrophobicContact CG-CZ 4.02Å
246K97.8Very high97.4Very high31 Ų3148 Ų4814%0.13524%0.237CC..Hα-helixtrans-58.8-44.2176.2-73.5-172.8-179.4-171.20111.2I214 E216 L242 A243 R249 V250I214-K246 HydrophobicContact CD1-CB 3.93Å; I214-K246 HydrophobicContact CD1-CD 4.03Å; E216-K246 WeakPolarHBondContact O-CD 3.37Å; E216-K246 PolarHBondContact O-NZ 2.71Å; L242-K246 WeakPolarHBondContact O-CG 3.44Å; L242-K246 PolarHBondContact O-N 3.19Å; A243-K246 PolarHBondContact O-N 2.89Å; K246-R249 PolarHBondContact O-N 3.02Å; K246-V250 WeakPolarHBondContact O-CG2 3.2Å; K246-V250 PolarHBondContact O-N 2.89Å
247Y97.9Very high97.4Very high1 Ų151.6 Ų51.60%0.00426%0.26CS..Hα-helixtrans-61.4-44.2174-70.6-64.6000112.6M212 I214 T219 T220 A221 A243 R245 R249 V250 V251M212-Y247 HydrophobicContact CB-CD1 4.18Å; M212-Y247 HydrophobicContact CB-CE1 3.94Å; M212-Y247 HydrophobicContact CG-CD1 4.01Å; M212-Y247 HydrophobicContact CG-CE1 3.84Å; M212-Y247 PolarHBondContact O-OH 2.91Å; M212-Y247 HydrophobicContact SD-CD1 3.68Å; M212-Y247 HydrophobicContact SD-CE1 4.13Å; I214-Y247 HydrophobicContact CD1-CE2 4.12Å; I214-Y247 HydrophobicContact CG1-CE1 4.43Å; I214-Y247 HydrophobicContact CG1-CE2 4.34Å; I214-Y247 HydrophobicContact CG2-CD1 4.45Å; I214-Y247 HydrophobicContact CG2-CE1 3.82Å; I214-Y247 PolarHBondContact N-OH 2.9Å; T219-Y247 PolarHBondContact O-OH 3Å; T219-Y247 VanDerWaalsContact O-OH 3.05Å; T219-Y247 PolarHBondContact OG1-OH 3.02Å; T219-Y247 VanDerWaalsContact OG1-OH 3.07Å; T220-Y247 WeakPolarHBondContact CA-OH 3.39Å; T220-Y247 PolarHBondContact N-OH 3.1Å; A221-Y247 HydrophobicContact CB-CD1 3.62Å; A221-Y247 HydrophobicContact CB-CD2 3.59Å; A221-Y247 HydrophobicContact CB-CE1 3.59Å; A221-Y247 HydrophobicContact CB-CE2 3.6Å; A221-Y247 HydrophobicContact CB-CG 3.63Å; A221-Y247 PolarHBondContact N-OH 3.11Å; A243-Y247 HydrophobicContact CB-CD2 4.41Å; A243-Y247 HydrophobicContact CB-CE2 4.13Å; A243-Y247 WeakPolarHBondContact O-CD2 3.34Å; A243-Y247 PolarHBondContact O-N 3.4Å; R245-Y247 VanDerWaalsContact C-N 3.35Å; R245-Y247 PolarHBondContact O-N 3.05Å; Y247-R249 PolarHBondContact O-N 3.09Å; Y247-V250 PolarHBondContact O-N 3.46Å; Y247-V251 PolarHBondContact O-N 3.25Å; Y247-V251 VanDerWaalsContact O-N 3.13Å
248A97.8Very high97.4Very high6 Ų650.5 Ų50.55%0.0526%0.255CS..Hα-helixtrans-60-43.317500000112.2L184 A244 R245 V251 Q252 V258 F260L184-A248 HydrophobicContact CD2-CB 3.49Å; L184-A248 VanDerWaalsContact CD2-CB 3.49Å; A244-A248 WeakPolarHBondContact O-CB 3.44Å; A244-A248 PolarHBondContact O-N 3.49Å; R245-A248 WeakPolarHBondContact O-CB 3.43Å; R245-A248 PolarHBondContact O-N 3.1Å; A248-V251 PolarHBondContact O-N 2.84Å; A248-Q252 WeakPolarHBondContact O-CB 3.35Å; A248-Q252 PolarHBondContact O-N 2.83Å; A248-V258 HydrophobicContact CB-CG1 4.07Å; A248-F260 HydrophobicContact CB-CB 4.47Å; A248-F260 HydrophobicContact CB-CD2 3.91Å
249R97.1Very high97.3Very high71 Ų7153.7 Ų53.727%0.26826%0.263SS..Hα-helixtrans-64.2-37.4177.5-172.862.8164.9169.5-4.6112.3D13 L16 R245 K246 Y247 Q252 K253D13-R249 IonicContact OD1-CZ 2.76Å; D13-R249 IonicContact OD1-NE 2.83Å; D13-R249 IonicContact OD1-NH2 3.39Å; D13-R249 PolarHBondContact OD1-NH2 3.18Å; D13-R249 IonicContact OD2-CZ 3.86Å; D13-R249 IonicContact OD2-NH2 3.26Å; D13-R249 PolarHBondContact OD2-NH2 3.23Å; L16-R249 HydrophobicContact CD1-CG 4.49Å; R245-R249 WeakPolarHBondContact O-CB 3.3Å; R245-R249 PolarHBondContact O-N 3.24Å; K246-R249 PolarHBondContact O-N 3.02Å; Y247-R249 PolarHBondContact O-N 3.09Å; R249-Q252 PolarHBondContact O-N 3.13Å; R249-K253 WeakPolarHBondContact O-CG 3.47Å; R249-K253 PolarHBondContact O-N 3.08Å
250V96.6Very high97.2Very high57 Ų5753.7 Ų53.735%0.34526%0.262SS..Hα-helixtrans-62.4-49.9172.9171.90000110.8M212 K246 Y247 Q252 K253 L254M212-V250 HydrophobicContact CE-CG1 4.01Å; M212-V250 HydrophobicContact SD-CB 4.35Å; M212-V250 HydrophobicContact SD-CG1 3.89Å; K246-V250 WeakPolarHBondContact O-CG2 3.2Å; K246-V250 PolarHBondContact O-N 2.89Å; Y247-V250 PolarHBondContact O-N 3.46Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 2.86Å; V250-K253 PolarHBondContact O-N 2.91Å; V250-L254 PolarHBondContact O-N 3.39Å
251V97.3Very high97Very high0 Ų057.4 Ų57.40%028%0.278CS..Hα-helixtrans-64.4-34.6178.8-1790000111.4L184 L188 I193 I223 Y247 A248 L254 F256 V258L184-V251 HydrophobicContact CD1-CB 4.19Å; L184-V251 HydrophobicContact CD1-CG1 4.21Å; L184-V251 HydrophobicContact CD1-CG2 4.18Å; L188-V251 HydrophobicContact CD1-CG1 4.25Å; L188-V251 HydrophobicContact CD2-CG1 3.74Å; I193-V251 HydrophobicContact CD1-CG1 4.14Å; I193-V251 HydrophobicContact CD1-CG2 4.44Å; I223-V251 HydrophobicContact CD1-CG2 4.03Å; Y247-V251 PolarHBondContact O-N 3.25Å; Y247-V251 VanDerWaalsContact O-N 3.13Å; A248-V251 PolarHBondContact O-N 2.84Å; V251-L254 PolarHBondContact O-N 2.76Å; V251-F256 HydrophobicContact CG1-CB 4.06Å; V251-F256 HydrophobicContact CG1-CD2 3.85Å; V251-F256 HydrophobicContact CG1-CG 4.16Å; V251-F256 WeakPolarHBondContact O-CD2 3.26Å; V251-V258 HydrophobicContact CB-CG2 4.05Å; V251-V258 HydrophobicContact CG1-CG2 3.69Å
252Q97Very high96.9Very high79 Ų7956.7 Ų56.737%0.36928%0.284SS..Hα-helixtrans-63.6-46.3172.9-167-172.646.900111.9A248 R249 V250 L254 G255 V258A248-Q252 WeakPolarHBondContact O-CB 3.35Å; A248-Q252 PolarHBondContact O-N 2.83Å; R249-Q252 PolarHBondContact O-N 3.13Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 2.86Å; Q252-L254 PolarHBondContact O-N 2.93Å; Q252-L254 VanDerWaalsContact O-N 3.15Å; Q252-G255 PolarHBondContact O-N 3.31Å; Q252-V258 HydrophobicContact CB-CB 4.05Å; Q252-V258 HydrophobicContact CB-CG2 4.32Å; Q252-V258 HydrophobicContact CG-CB 4.37Å
253K97Very high96.9Very high125 Ų12555.1 Ų55.154%0.54328%0.275SS..Hα-helixtrans-64.8-13.7177-72.1-173.3-178.8-175.70113.1D13 R249 V250 G255D13-K253 IonicContact OD1-NZ 2.79Å; D13-K253 PolarHBondContact OD1-NZ 3.48Å; R249-K253 WeakPolarHBondContact O-CG 3.47Å; R249-K253 PolarHBondContact O-N 3.08Å; V250-K253 PolarHBondContact O-N 2.91Å; K253-G255 VanDerWaalsContact C-N 3.3Å
254L96.3Very high96.9Very high35 Ų3560.8 Ų60.818%0.18330%0.3CS..THydrogen-bonded Turntrans-84.46.5168.6-63179.6000114.4K192 I193 N196 A197 V250 V251 Q252 F256K192-L254 WeakPolarHBondContact CE-O 3.5Å; K192-L254 PolarHBondContact NZ-O 3.27Å; I193-L254 HydrophobicContact CB-CD1 4.46Å; I193-L254 HydrophobicContact CG1-CD1 4.3Å; I193-L254 HydrophobicContact CG2-CD1 4.32Å; N196-L254 HydrophobicContact CB-CD2 3.67Å; A197-L254 HydrophobicContact CB-CD1 4.31Å; V250-L254 PolarHBondContact O-N 3.39Å; V251-L254 PolarHBondContact O-N 2.76Å; Q252-L254 PolarHBondContact O-N 2.93Å; Q252-L254 VanDerWaalsContact O-N 3.15Å; L254-F256 HydrophobicContact CB-CD2 3.98Å; L254-F256 HydrophobicContact CB-CE2 4.12Å
255G95.9Very high96.9Very high60 Ų6061.8 Ų61.862%0.61930%0.304SS*.THydrogen-bonded Turntrans77.631.4177.300000114.2Q252 K253Q252-G255 PolarHBondContact O-N 3.31Å; K253-G255 VanDerWaalsContact C-N 3.3Å
256F96.8Very high96.9Very high24 Ų2460.9 Ų60.911%0.10530%0.302CS..  trans-96.6143.8167.4-68.2-84.5000110.3L188 D189 K192 I193 V251 L254 V258L188-F256 HydrophobicContact CD2-CB 3.99Å; L188-F256 HydrophobicContact CD2-CD1 3.63Å; L188-F256 HydrophobicContact CD2-CD2 4.36Å; L188-F256 HydrophobicContact CD2-CE1 4.14Å; L188-F256 HydrophobicContact CD2-CG 3.75Å; D189-F256 HydrophobicContact CB-CE1 4.48Å; D189-F256 HydrophobicContact CB-CZ 4.41Å; K192-F256 HydrophobicContact CB-CZ 4.2Å; K192-F256 HydrophobicContact CD-CE2 4.14Å; K192-F256 HydrophobicContact CD-CZ 3.79Å; K192-F256 HydrophobicContact CG-CE2 4.4Å; K192-F256 HydrophobicContact CG-CZ 4.18Å; I193-F256 HydrophobicContact CD1-CE2 4.17Å; I193-F256 HydrophobicContact CD1-CZ 4.37Å; I193-F256 HydrophobicContact CG1-CD2 4.38Å; I193-F256 HydrophobicContact CG1-CE2 3.54Å; I193-F256 HydrophobicContact CG1-CZ 3.9Å; V251-F256 HydrophobicContact CG1-CB 4.06Å; V251-F256 HydrophobicContact CG1-CD2 3.85Å; V251-F256 HydrophobicContact CG1-CG 4.16Å; V251-F256 WeakPolarHBondContact O-CD2 3.26Å; L254-F256 HydrophobicContact CB-CD2 3.98Å; L254-F256 HydrophobicContact CB-CE2 4.12Å; F256-V258 HydrophobicContact CB-CG2 4.02Å; F256-V258 PolarHBondContact O-N 3.49Å
257P96.4Very high96.9Very high101 Ų10160.8 Ų60.866%0.65630%0.304SS*.  trans-77.463.5-179.533.3-35.9000111.6C186C186-P257 HydrophobicContact CB-CG 3.99Å
258V97.1Very high96.9Very high13 Ų1360.8 Ų60.88%0.07930%0.303CS..  trans-72.1134.3-176.1172.20000111.5L184 A248 V251 Q252 F256L184-V258 HydrophobicContact CB-CG1 4.04Å; L184-V258 HydrophobicContact CB-CG2 4.39Å; L184-V258 HydrophobicContact CD2-CG1 3.81Å; L184-V258 HydrophobicContact CG-CG1 4.36Å; L184-V258 WeakPolarHBondContact O-CA 3.47Å; A248-V258 HydrophobicContact CB-CG1 4.07Å; V251-V258 HydrophobicContact CB-CG2 4.05Å; V251-V258 HydrophobicContact CG1-CG2 3.69Å; Q252-V258 HydrophobicContact CB-CB 4.05Å; Q252-V258 HydrophobicContact CB-CG2 4.32Å; Q252-V258 HydrophobicContact CG-CB 4.37Å; F256-V258 HydrophobicContact CB-CG2 4.02Å; F256-V258 PolarHBondContact O-N 3.49Å
259R95.6Very high96.9Very high178 Ų17860.7 Ų60.767%0.67230%0.302SS*.  trans-128.3126.7161.6-59.2179.8-68.9170.6-1.1108.9N183 L184 A185 F261N183-R259 VanDerWaalsContact O-O 3.1Å; L184-R259 CarbonylContact C-O 3.18Å; L184-R259 VanDerWaalsContact CA-O 3.28Å; L184-R259 WeakPolarHBondContact CA-O 3.12Å; L184-R259 PolarHBondContact O-N 3.25Å; A185-R259 HydrophobicContact CB-CB 3.9Å; R259-F261 PolarHBondContact O-N 3.33Å
260F96.3Very high97Very high72 Ų7257.3 Ų57.332%0.31629%0.289SS..  trans-79.1113.7178.9-176-101.5000110.3A182 A244 R245 A248 F263A182-F260 HydrophobicContact CB-CD2 4.14Å; A182-F260 HydrophobicContact CB-CE2 3.55Å; A182-F260 HydrophobicContact CB-CZ 4.12Å; A244-F260 HydrophobicContact CB-CE2 3.69Å; A244-F260 HydrophobicContact CB-CZ 3.95Å; R245-F260 HydrophobicContact CG-CD1 4.22Å; R245-F260 HydrophobicContact CG-CE1 3.98Å; R245-F260 HydrophobicContact CG-CE2 4.31Å; R245-F260 HydrophobicContact CG-CG 4.48Å; R245-F260 HydrophobicContact CG-CZ 4.02Å; A248-F260 HydrophobicContact CB-CB 4.47Å; A248-F260 HydrophobicContact CB-CD2 3.91Å; F260-F263 HydrophobicContact CE1-CB 3.92Å; F260-F263 HydrophobicContact CE1-CG 4.46Å; F260-F263 HydrophobicContact CZ-CB 3.85Å; F260-F263 AromaticContact CZ-CD2 3.77Å; F260-F263 HydrophobicContact CZ-CD2 3.77Å; F260-F263 HydrophobicContact CZ-CG 4.07Å
261F93.7Very high97Very high78 Ų7855 Ų5534%0.34228%0.276SS..EExtended strand (participates in β ladder)trans-145.2168.6178.582.6-68.7000112.6N183 A185 R259 F263N183-F261 HydrophobicContact CB-CD1 3.86Å; N183-F261 HydrophobicContact CB-CE1 3.34Å; N183-F261 HydrophobicContact CB-CE2 4.46Å; N183-F261 HydrophobicContact CB-CZ 3.69Å; N183-F261 VanDerWaalsContact CG-CZ 3.47Å; N183-F261 PolarHBondContact N-O 3.04Å; N183-F261 VanDerWaalsContact O-CD1 3.23Å; N183-F261 WeakPolarHBondContact O-CD1 3.18Å; N183-F261 PolarHBondContact O-N 3.43Å; N183-F261 WeakPolarHBondContact OD1-CE1 3.4Å; A185-F261 HydrophobicContact CB-CD1 3.79Å; A185-F261 HydrophobicContact CB-CE1 3.54Å; A185-F261 HydrophobicContact CB-CZ 4.49Å; R259-F261 PolarHBondContact O-N 3.33Å; F261-F263 VanDerWaalsContact C-N 3.28Å; F261-F263 PolarHBondContact O-N 2.95Å
262N96.3Very high97Very high121 Ų12155.4 Ų55.465%0.64728%0.279SS*.EExtended strand (participates in β ladder)trans48.744-179.9-67.77.1000114K264N262-K264 PolarHBondContact O-N 3.5Å
263F98.3Very high97.1Very high36 Ų3653.2 Ų53.216%0.15827%0.27CS..EExtended strand (participates in β ladder)trans-66.1124.4168.7179.8-93.8000110.2S180 T181 A182 R241 A244 F260 F261 I265S180-F263 WeakPolarHBondContact OG-CE2 3.01Å; T181-F263 CarbonylContact O-C 3.57Å; T181-F263 VanDerWaalsContact O-CA 3.28Å; T181-F263 WeakPolarHBondContact O-CA 3.47Å; A182-F263 HydrophobicContact CB-CD2 4.35Å; R241-F263 HydrophobicContact CB-CD1 4.47Å; R241-F263 HydrophobicContact CB-CE1 3.87Å; R241-F263 HydrophobicContact CB-CE2 4.08Å; R241-F263 HydrophobicContact CB-CZ 3.64Å; R241-F263 HydrophobicContact CG-CD1 4.22Å; R241-F263 HydrophobicContact CG-CE1 4.11Å; R241-F263 HydrophobicContact CG-CE2 4.43Å; R241-F263 HydrophobicContact CG-CG 4.44Å; R241-F263 HydrophobicContact CG-CZ 4.22Å; A244-F263 HydrophobicContact CB-CD2 4.03Å; A244-F263 HydrophobicContact CB-CE2 3.94Å; F260-F263 HydrophobicContact CE1-CB 3.92Å; F260-F263 HydrophobicContact CE1-CG 4.46Å; F260-F263 HydrophobicContact CZ-CB 3.85Å; F260-F263 AromaticContact CZ-CD2 3.77Å; F260-F263 HydrophobicContact CZ-CD2 3.77Å; F260-F263 HydrophobicContact CZ-CG 4.07Å; F261-F263 VanDerWaalsContact C-N 3.28Å; F261-F263 PolarHBondContact O-N 2.95Å; F263-I265 HydrophobicContact CE1-CD1 3.78Å; F263-I265 HydrophobicContact CZ-CD1 3.69Å
264K97.9Very high97.1Very high120 Ų12047.4 Ų47.452%0.52225%0.245SC..EExtended strand (participates in β ladder)trans-146.7137.9-179.1177.3171.1179.9-178.30110.8S180 T181 N262S180-K264 CarbonylContact C-O 3.58Å; S180-K264 VanDerWaalsContact CA-O 3.3Å; S180-K264 WeakPolarHBondContact CA-O 3.24Å; S180-K264 WeakPolarHBondContact CB-O 3.38Å; T181-K264 PolarHBondContact N-O 3.04Å; T181-K264 PolarHBondContact O-N 2.7Å; N262-K264 PolarHBondContact O-N 3.5Å
265I98.3Very high97.1Very high25 Ų2553.2 Ų53.213%0.12827%0.268CS..EExtended strand (participates in β ladder)trans-74.8133.3167.8-51.9-52.6000108.9V178 E237 F263 M268V178-I265 HydrophobicContact CG1-CD1 3.84Å; V178-I265 HydrophobicContact CG1-CG2 4.03Å; E237-I265 HydrophobicContact CB-CD1 4.26Å; E237-I265 HydrophobicContact CG-CD1 4.37Å; E237-I265 HydrophobicContact CG-CG1 4.28Å; F263-I265 HydrophobicContact CE1-CD1 3.78Å; F263-I265 HydrophobicContact CZ-CD1 3.69Å; I265-M268 HydrophobicContact CG2-CG 3.59Å; I265-M268 HydrophobicContact CG2-SD 4.1Å
266Q97.8Very high97.1Very high45 Ų4550.9 Ų50.921%0.2124%0.241CC..EExtended strand (participates in β ladder)trans-110.9-35.8-177.4-61.9-67.40.800112.5L78 V179 T181L78-Q266 HydrophobicContact CD1-CB 4.17Å; V179-Q266 HydrophobicContact CG1-CB 4.41Å; V179-Q266 PolarHBondContact O-N 3.38Å; T181-Q266 HydrophobicContact CG2-CG 3.81Å; T181-Q266 PolarHBondContact OG1-NE2 3.2Å
267N97.8Very high97.2Very high30 Ų3052.9 Ų52.916%0.1626%0.256CS..EExtended strand (participates in β ladder)trans-151.2144.5173.8-175.326.3000110.3V179 T323 G324 A325V179-N267 HydrophobicContact CB-CB 4.16Å; V179-N267 HydrophobicContact CG2-CB 4.41Å; V179-N267 PolarHBondContact N-O 2.99Å; V179-N267 PolarHBondContact O-N 2.88Å; N267-T323 PolarHBondContact ND2-OG1 2.91Å; N267-T323 PolarHBondContact OD1-OG1 2.94Å; N267-G324 VanDerWaalsContact OD1-CA 3.31Å; N267-G324 WeakPolarHBondContact OD1-CA 3.48Å; N267-G324 PolarHBondContact OD1-N 3.31Å; N267-A325 CarbonylContact C-O 3.57Å; N267-A325 VanDerWaalsContact CA-O 3.3Å; N267-A325 WeakPolarHBondContact CA-O 3.38Å
268M98.3Very high97.2Very high0 Ų048 Ų480%023%0.225CC..EExtended strand (participates in β ladder)trans-125.1132.9172-62.3-175.965.700109.1L175 V178 E237 I265 A325 R328 I331L175-M268 HydrophobicContact CD1-CE 3.59Å; L175-M268 HydrophobicContact CD2-CE 3.71Å; L175-M268 HydrophobicContact CG-CE 4.33Å; V178-M268 HydrophobicContact CG1-CG 4.37Å; V178-M268 HydrophobicContact CG2-CE 4.19Å; V178-M268 HydrophobicContact CG2-CG 4.43Å; E237-M268 HydrophobicContact CG-CE 3.84Å; E237-M268 HydrophobicContact CG-SD 4.16Å; E237-M268 WeakPolarHBondContact OE1-CE 3.31Å; I265-M268 HydrophobicContact CG2-CG 3.59Å; I265-M268 HydrophobicContact CG2-SD 4.1Å; M268-A325 HydrophobicContact CB-CB 4.42Å; M268-A325 PolarHBondContact N-O 3.19Å; M268-R328 HydrophobicContact CE-CB 3.97Å; M268-R328 HydrophobicContact CE-CG 4.17Å; M268-I331 HydrophobicContact CB-CD1 3.77Å
269V98.1Very high97.3Very high4 Ų452 Ų522%0.02424%0.239CC..EExtended strand (participates in β ladder)trans-112.4118178.1-173.60000109.2L71 Q176 N177 V321 L322L71-V269 HydrophobicContact CD1-CG1 4.25Å; Q176-V269 PolarHBondContact N-O 2.99Å; N177-V269 HydrophobicContact CB-CB 4.21Å; N177-V269 HydrophobicContact CB-CG2 4.33Å; N177-V269 PolarHBondContact N-O 3.37Å; N177-V269 PolarHBondContact O-N 3.2Å; V269-V321 HydrophobicContact CG1-CG1 3.72Å; V269-L322 CarbonylContact C-O 3.54Å; V269-L322 VanDerWaalsContact CA-O 3.31Å; V269-L322 WeakPolarHBondContact CA-O 3.5Å
270G97.9Very high97.3Very high0 Ų043.5 Ų43.50%021%0.207CC..EExtended strand (participates in β ladder)trans-106.8159.6172.400000111.8Q174 V321 L322Q174-G270 CarbonylContact O-C 3.51Å; Q174-G270 WeakPolarHBondContact O-CA 3.3Å; G270-V321 CarbonylContact O-C 3.55Å; G270-V321 WeakPolarHBondContact O-CA 3.48Å; G270-L322 PolarHBondContact N-O 3.36Å; G270-L322 PolarHBondContact O-N 2.85Å
271S97.8Very high97.3Very high8 Ų844 Ų446%0.05621%0.21CC..EExtended strand (participates in β ladder)trans-144.2151.5167.468.90000112.6Q174 Q176 V320Q174-S271 PolarHBondContact N-O 3.01Å; Q174-S271 PolarHBondContact O-N 3.25Å; Q176-S271 VanDerWaalsContact CG-OG 3.26Å; Q176-S271 WeakPolarHBondContact CG-OG 3.37Å; Q176-S271 PolarHBondContact NE2-OG 3.22Å; Q176-S271 VanDerWaalsContact NE2-OG 3.09Å; S271-V320 CarbonylContact C-O 3.59Å; S271-V320 VanDerWaalsContact CA-O 3.26Å; S271-V320 WeakPolarHBondContact CA-O 3.5Å; S271-V320 WeakPolarHBondContact CB-O 3.25Å
272C97.5Very high97.5Very high10 Ų1044 Ų447%0.06821%0.213CC..EExtended strand (participates in β ladder)trans-144.4179174.251.40000110.2I171 P173 V320 F335I171-C272 HydrophobicContact CG2-CB 4.04Å; P173-C272 HydrophobicContact CG-CB 4.41Å; C272-V320 PolarHBondContact N-O 2.88Å; C272-V320 PolarHBondContact O-N 2.91Å; C272-V320 VanDerWaalsContact O-O 3.12Å; C272-F335 HydrophobicContact CB-CE2 4.26Å; C272-F335 HydrophobicContact CB-CZ 4.46Å; C272-F335 WeakPolarHBondContact SG-CD2 3.44Å; C272-F335 WeakPolarHBondContact SG-CE2 3.49Å
273D97.7Very high97.6Very high33 Ų3338.2 Ų38.218%0.17618%0.182CC..EExtended strand (participates in β ladder)trans-148.6112.5179.2169.75.2000107.2K275 G318 K319D273-K275 HydrophobicContact CB-CD 4.47Å; D273-K275 VanDerWaalsContact CG-NZ 3.31Å; D273-K275 VanDerWaalsContact O-CE 3.32Å; D273-K275 WeakPolarHBondContact O-CE 3.25Å; D273-K275 PolarHBondContact O-N 3.11Å; D273-K275 PolarHBondContact OD1-N 2.9Å; D273-K275 WeakPolarHBondContact OD2-CE 3.4Å; D273-K275 IonicContact OD2-NZ 3.18Å; D273-K275 PolarHBondContact OD2-NZ 2.83Å; D273-G318 CarbonylContact C-O 3.57Å; D273-G318 WeakPolarHBondContact CA-O 3.22Å; D273-K319 HydrophobicContact CB-CG 4.32Å
274V96.6Very high97.5Very high3 Ų337.4 Ų37.42%0.01818%0.182CC..  trans-74-1.8-175.2-54.20000113.5F276 I278 G318 F335 Y339 L342V274-F276 HydrophobicContact CB-CD1 4.22Å; V274-F276 HydrophobicContact CB-CE1 3.76Å; V274-F276 HydrophobicContact CB-CE2 4.42Å; V274-F276 HydrophobicContact CB-CZ 3.87Å; V274-F276 HydrophobicContact CG2-CD1 3.98Å; V274-F276 HydrophobicContact CG2-CD2 3.84Å; V274-F276 HydrophobicContact CG2-CE1 3.75Å; V274-F276 HydrophobicContact CG2-CE2 3.59Å; V274-F276 HydrophobicContact CG2-CG 4.02Å; V274-F276 HydrophobicContact CG2-CZ 3.54Å; V274-F276 WeakPolarHBondContact O-CD1 3.32Å; V274-F276 WeakPolarHBondContact O-CE1 3.47Å; V274-F276 PolarHBondContact O-N 3.34Å; V274-I278 HydrophobicContact CG2-CD1 4.02Å; V274-G318 PolarHBondContact N-O 2.99Å; V274-F335 HydrophobicContact CG1-CE2 3.93Å; V274-F335 HydrophobicContact CG1-CZ 4.08Å; V274-Y339 HydrophobicContact CB-CE2 4.29Å; V274-Y339 HydrophobicContact CG1-CD2 4.14Å; V274-Y339 HydrophobicContact CG1-CE2 4.27Å; V274-L342 HydrophobicContact CG1-CD1 3.98Å
275K96.3Very high97.4Very high156 Ų15637.2 Ų37.268%0.67819%0.186SC*.SBendtrans63.814.6176.3-46.8-59.6168.8-1760115.4D273D273-K275 HydrophobicContact CB-CD 4.47Å; D273-K275 VanDerWaalsContact CG-NZ 3.31Å; D273-K275 VanDerWaalsContact O-CE 3.32Å; D273-K275 WeakPolarHBondContact O-CE 3.25Å; D273-K275 PolarHBondContact O-N 3.11Å; D273-K275 PolarHBondContact OD1-N 2.9Å; D273-K275 WeakPolarHBondContact OD2-CE 3.4Å; D273-K275 IonicContact OD2-NZ 3.18Å; D273-K275 PolarHBondContact OD2-NZ 2.83Å
276F96.8Very high97.4Very high12 Ų1240.4 Ų40.45%0.05321%0.207CC..SBendtrans-139.5146170.657.1-101.4000112.3V274 I278 G318 Y339 L342 E343 K346V274-F276 HydrophobicContact CB-CD1 4.22Å; V274-F276 HydrophobicContact CB-CE1 3.76Å; V274-F276 HydrophobicContact CB-CE2 4.42Å; V274-F276 HydrophobicContact CB-CZ 3.87Å; V274-F276 HydrophobicContact CG2-CD1 3.98Å; V274-F276 HydrophobicContact CG2-CD2 3.84Å; V274-F276 HydrophobicContact CG2-CE1 3.75Å; V274-F276 HydrophobicContact CG2-CE2 3.59Å; V274-F276 HydrophobicContact CG2-CG 4.02Å; V274-F276 HydrophobicContact CG2-CZ 3.54Å; V274-F276 WeakPolarHBondContact O-CD1 3.32Å; V274-F276 WeakPolarHBondContact O-CE1 3.47Å; V274-F276 PolarHBondContact O-N 3.34Å; F276-I278 HydrophobicContact CD2-CG1 4.21Å; F276-I278 HydrophobicContact CE2-CG1 4.19Å; F276-G318 VanDerWaalsContact O-CA 3.23Å; F276-G318 WeakPolarHBondContact O-CA 3.05Å; F276-Y339 HydrophobicContact CE1-CE2 4.14Å; F276-Y339 HydrophobicContact CZ-CE2 4.45Å; F276-L342 HydrophobicContact CE2-CB 4.49Å; F276-L342 WeakPolarHBondContact CE2-O 3.39Å; F276-L342 HydrophobicContact CZ-CB 4.47Å; F276-E343 HydrophobicContact CZ-CB 4.02Å; F276-E343 HydrophobicContact CZ-CG 4.42Å; F276-K346 HydrophobicContact CB-CD 3.93Å; F276-K346 HydrophobicContact CB-CG 4.02Å; F276-K346 HydrophobicContact CD1-CD 4.13Å; F276-K346 HydrophobicContact CD2-CB 3.71Å; F276-K346 HydrophobicContact CD2-CD 3.85Å; F276-K346 HydrophobicContact CD2-CG 3.62Å; F276-K346 HydrophobicContact CE2-CB 3.91Å; F276-K346 HydrophobicContact CE2-CD 4.39Å; F276-K346 HydrophobicContact CE2-CG 4.29Å; F276-K346 HydrophobicContact CG-CB 4.43Å; F276-K346 HydrophobicContact CG-CD 3.71Å; F276-K346 HydrophobicContact CG-CG 3.9Å
277P97.9Very high97.3Very high65 Ų6540.1 Ų40.142%0.42221%0.205SC..  trans-71.5150.6176.226.8-31.8000112.4A316 K346 K347P277-A316 CarbonylContact C-O 3.59Å; P277-A316 VanDerWaalsContact CA-O 3.24Å; P277-A316 WeakPolarHBondContact CA-O 3.45Å; P277-A316 WeakPolarHBondContact CB-O 3.26Å; P277-K346 WeakPolarHBondContact O-CA 3.45Å; P277-K347 HydrophobicContact CB-CB 4.3Å; P277-K347 HydrophobicContact CB-CD 4.31Å; P277-K347 HydrophobicContact CG-CB 4.09Å; P277-K347 PolarHBondContact O-N 2.88Å
278I98.1Very high97.2Very high0 Ų047.9 Ų47.90%023%0.232CC..BIsolated β-bridgetrans-124144-168.1-50.3-179.9000111.2V274 F276 L280 I314 A316 L342 F345 K347V274-I278 HydrophobicContact CG2-CD1 4.02Å; F276-I278 HydrophobicContact CD2-CG1 4.21Å; F276-I278 HydrophobicContact CE2-CG1 4.19Å; I278-L280 HydrophobicContact CB-CD2 4.29Å; I278-L280 HydrophobicContact CG2-CD2 4.1Å; I278-L280 PolarHBondContact O-N 3.01Å; I278-I314 HydrophobicContact CD1-CG2 3.97Å; I278-A316 PolarHBondContact N-O 2.87Å; I278-L342 HydrophobicContact CD1-CB 4.21Å; I278-L342 HydrophobicContact CD1-CD1 4.42Å; I278-L342 HydrophobicContact CD1-CD2 4.15Å; I278-L342 HydrophobicContact CD1-CG 4.47Å; I278-F345 HydrophobicContact CG2-CB 4.02Å; I278-K347 WeakPolarHBondContact O-CE 3.21Å; I278-K347 PolarHBondContact O-NZ 3.21Å
279R97.6Very high97.2Very high96 Ų9656.4 Ų56.436%0.36227%0.272SS..  trans-83.577.2170.5-67176.9-87.8-176.6-1.8111E281 I282 L283 F345 K346 K347R279-E281 WeakPolarHBondContact CA-OE2 3.26Å; R279-E281 PolarHBondContact O-N 2.82Å; R279-I282 HydrophobicContact CB-CB 4.29Å; R279-I282 HydrophobicContact CB-CG1 4.09Å; R279-I282 PolarHBondContact O-N 3.08Å; R279-L283 PolarHBondContact O-N 3.48Å; R279-F345 WeakPolarHBondContact CB-O 3.29Å; R279-F345 PolarHBondContact N-O 2.94Å; R279-F345 PolarHBondContact NE-O 2.9Å; R279-K346 VanDerWaalsContact CZ-O 3.28Å; R279-K346 PolarHBondContact NE-O 3.17Å; R279-K346 VanDerWaalsContact NE-O 3.1Å; R279-K346 PolarHBondContact NH2-O 3.32Å; R279-K347 HydrophobicContact CG-CD 4.24Å; R279-K347 HydrophobicContact CG-CG 3.45Å; R279-K347 VanDerWaalsContact CG-CG 3.45Å
280L97.4Very high97.1Very high0 Ų060 Ų600%029%0.287CS..Hα-helixtrans-58.1-32179.3-61.7-169.8000112.4I278 I282 L283 A284 Y293 L301 I314 A316I278-L280 HydrophobicContact CB-CD2 4.29Å; I278-L280 HydrophobicContact CG2-CD2 4.1Å; I278-L280 PolarHBondContact O-N 3.01Å; L280-I282 PolarHBondContact O-N 3.09Å; L280-L283 HydrophobicContact CD2-CD2 4.46Å; L280-L283 PolarHBondContact O-N 3.33Å; L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.36Å; L280-A284 PolarHBondContact O-N 3.44Å; L280-Y293 HydrophobicContact CB-CD1 4.13Å; L280-Y293 HydrophobicContact CB-CE1 3.69Å; L280-Y293 HydrophobicContact CB-CE2 4.12Å; L280-Y293 HydrophobicContact CD1-CD2 4.26Å; L280-Y293 HydrophobicContact CD1-CE2 3.63Å; L280-L301 HydrophobicContact CB-CB 4.5Å; L280-L301 HydrophobicContact CB-CD1 4.42Å; L280-L301 HydrophobicContact CD1-CB 4.2Å; L280-L301 HydrophobicContact CD2-CB 4.04Å; L280-L301 HydrophobicContact CG-CB 4.48Å; L280-L301 WeakPolarHBondContact O-CD1 3.44Å; L280-I314 HydrophobicContact CD2-CG2 3.84Å; L280-A316 HydrophobicContact CD1-CB 3.91Å; L280-A316 HydrophobicContact CG-CB 4.03Å
281E96.4Very high97.1Very high82 Ų8260.5 Ų60.538%0.38329%0.291SS..Hα-helixtrans-62.6-43.3-178.6-51.670.7-151.800110.9R279 L285 Y293 K347R279-E281 WeakPolarHBondContact CA-OE2 3.26Å; R279-E281 PolarHBondContact O-N 2.82Å; E281-L285 WeakPolarHBondContact O-CG 3.47Å; E281-L285 PolarHBondContact O-N 2.84Å; E281-Y293 HydrophobicContact CG-CE1 4.21Å; E281-Y293 PolarHBondContact OE1-OH 3.22Å; E281-K347 IonicContact OE1-NZ 2.74Å; E281-K347 IonicContact OE2-NZ 3.56Å
282I96.9Very high97.1Very high78 Ų7863.1 Ų63.140%0.431%0.309SS..Hα-helixtrans-80.5-39.9179.3-47.6-55.7000110.4R279 L280 A284 L285 T286 F345R279-I282 HydrophobicContact CB-CB 4.29Å; R279-I282 HydrophobicContact CB-CG1 4.09Å; R279-I282 PolarHBondContact O-N 3.08Å; L280-I282 PolarHBondContact O-N 3.09Å; I282-A284 VanDerWaalsContact C-N 3.31Å; I282-A284 PolarHBondContact O-N 3.06Å; I282-L285 PolarHBondContact O-N 2.92Å; I282-L285 VanDerWaalsContact O-N 3.17Å; I282-T286 PolarHBondContact O-N 3.2Å; I282-T286 PolarHBondContact O-OG1 3.46Å; I282-F345 HydrophobicContact CB-CD1 4.18Å; I282-F345 HydrophobicContact CB-CE1 4.34Å; I282-F345 HydrophobicContact CG2-CD1 4.07Å; I282-F345 HydrophobicContact CG2-CE1 3.82Å
283L97.4Very high97.1Very high0 Ų064.7 Ų64.70%031%0.314CS..Hα-helixtrans-56.7-43.9173.6173.959.3000111.4R279 L280 H287 L301 I314 M338 I341 L342 F345R279-L283 PolarHBondContact O-N 3.48Å; L280-L283 HydrophobicContact CD2-CD2 4.46Å; L280-L283 PolarHBondContact O-N 3.33Å; L283-H287 HydrophobicContact CD1-CB 4.32Å; L283-H287 WeakPolarHBondContact O-CB 3.38Å; L283-H287 PolarHBondContact O-N 2.81Å; L283-L301 HydrophobicContact CB-CD1 4.16Å; L283-L301 HydrophobicContact CD2-CD1 3.97Å; L283-L301 HydrophobicContact CD2-CD2 4.31Å; L283-L301 HydrophobicContact CG-CD1 3.81Å; L283-I314 HydrophobicContact CD2-CD1 4.38Å; L283-M338 HydrophobicContact CD1-CE 4.15Å; L283-M338 HydrophobicContact CD2-CE 4.46Å; L283-I341 HydrophobicContact CD1-CG2 4.01Å; L283-L342 HydrophobicContact CD2-CD2 4.05Å; L283-F345 HydrophobicContact CB-CB 4.49Å; L283-F345 HydrophobicContact CB-CD1 4.43Å; L283-F345 HydrophobicContact CB-CD2 3.98Å; L283-F345 HydrophobicContact CB-CE2 4.35Å; L283-F345 HydrophobicContact CB-CG 4.04Å; L283-F345 HydrophobicContact CD1-CD2 3.61Å; L283-F345 HydrophobicContact CD1-CE2 3.58Å; L283-F345 HydrophobicContact CD1-CZ 4.44Å; L283-F345 HydrophobicContact CG-CD2 4.29Å
284A97.1Very high97Very high19 Ų1969.3 Ų69.316%0.15734%0.335CS..Hα-helixtrans-64.2-38.6176.300000113.1L280 I282 R288 Y293 L301L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.36Å; L280-A284 PolarHBondContact O-N 3.44Å; I282-A284 VanDerWaalsContact C-N 3.31Å; I282-A284 PolarHBondContact O-N 3.06Å; A284-R288 WeakPolarHBondContact O-CA 3.31Å; A284-R288 WeakPolarHBondContact O-CB 3.32Å; A284-R288 PolarHBondContact O-N 2.96Å; A284-Y293 HydrophobicContact CB-CD1 4.17Å; A284-Y293 HydrophobicContact CB-CG 4.47Å; A284-L301 HydrophobicContact CB-CD1 3.78Å
285L96.6Very high96.9Very high115 Ų11572.1 Ų72.160%0.60235%0.353SS*.Hα-helixtrans-69.1-45.9176.7-79.2166.9000112E281 I282E281-L285 WeakPolarHBondContact O-CG 3.47Å; E281-L285 PolarHBondContact O-N 2.84Å; I282-L285 PolarHBondContact O-N 2.92Å; I282-L285 VanDerWaalsContact O-N 3.17Å
286T97.1Very high96.9Very high93 Ų9373.5 Ų73.557%0.57136%0.362SS*.Hα-helixtrans-72.7-40.7-178.8-57.50000112.2I282 F345I282-T286 PolarHBondContact O-N 3.2Å; I282-T286 PolarHBondContact O-OG1 3.46Å; T286-F345 HydrophobicContact CG2-CZ 4.03Å
287H96.6Very high96.8Very high38 Ų3880.2 Ų80.218%0.17640%0.398CS..THydrogen-bonded Turntrans-10233.7-179.2-67.3-113.4000112.7L283 Q289 F290 S291 Y303 I341 F345L283-H287 HydrophobicContact CD1-CB 4.32Å; L283-H287 WeakPolarHBondContact O-CB 3.38Å; L283-H287 PolarHBondContact O-N 2.81Å; H287-Q289 PolarHBondContact O-N 3.12Å; H287-F290 PolarHBondContact O-N 3.44Å; H287-S291 WeakPolarHBondContact CB-OG 3.49Å; H287-S291 VanDerWaalsContact O-CB 3.29Å; H287-S291 WeakPolarHBondContact O-CB 3.13Å; H287-S291 PolarHBondContact O-N 3.01Å; H287-S291 PolarHBondContact O-OG 3.22Å; H287-Y303 HydrophobicContact CB-CE2 3.69Å; H287-Y303 AromaticContact CG-CE2 3.89Å; H287-Y303 AromaticContact ND1-CE2 3.67Å; H287-Y303 AromaticContact ND1-CZ 3.82Å; H287-Y303 PolarHBondContact ND1-OH 3.21Å; H287-I341 WeakPolarHBondContact NE2-CG2 3.5Å; H287-F345 AromaticContact CD2-CE2 3.9Å; H287-F345 AromaticContact NE2-CE2 3.76Å
288R96.2Very high96.7Very high193 Ų19380.3 Ų80.373%0.72839%0.392SS*.THydrogen-bonded Turntrans-55.3-26.4-172.8-170.6177.4179.8118.15.8115.2A284 F290A284-R288 WeakPolarHBondContact O-CA 3.31Å; A284-R288 WeakPolarHBondContact O-CB 3.32Å; A284-R288 PolarHBondContact O-N 2.96Å; R288-F290 VanDerWaalsContact C-N 3.33Å
289Q96.6Very high96.6Very high180 Ų18084.7 Ų84.784%0.84142%0.42SS*.THydrogen-bonded Turntrans-71.7-25.7177-69.5179-24.600113.4H287H287-Q289 PolarHBondContact O-N 3.12Å
290F96.6Very high96.6Very high78 Ų7880.1 Ų80.134%0.34240%0.403SS..THydrogen-bonded Turntrans-112.7-18-176.7-53.2-66.5000112.8H287 R288 Y303 K304 V306H287-F290 PolarHBondContact O-N 3.44Å; R288-F290 VanDerWaalsContact C-N 3.33Å; F290-Y303 HydrophobicContact CB-CD1 4.42Å; F290-Y303 HydrophobicContact CB-CD2 4.46Å; F290-Y303 HydrophobicContact CB-CE1 3.99Å; F290-Y303 HydrophobicContact CB-CE2 4.06Å; F290-Y303 WeakPolarHBondContact O-CA 3.46Å; F290-K304 PolarHBondContact O-N 2.95Å; F290-V306 HydrophobicContact CD1-CG2 4.18Å; F290-V306 HydrophobicContact CE1-CG2 3.83Å
291S97.5Very high96.7Very high11 Ų1180.1 Ų80.18%0.07740%0.403CS..EExtended strand (participates in β ladder)trans-101.5146.9-172.1-54.40000112.7H287 I302 Y303H287-S291 WeakPolarHBondContact CB-OG 3.49Å; H287-S291 VanDerWaalsContact O-CB 3.29Å; H287-S291 WeakPolarHBondContact O-CB 3.13Å; H287-S291 PolarHBondContact O-N 3.01Å; H287-S291 PolarHBondContact O-OG 3.22Å; S291-I302 CarbonylContact C-O 3.55Å; S291-I302 WeakPolarHBondContact CA-O 3.39Å; S291-Y303 WeakPolarHBondContact OG-CD2 3.23Å
292S97.7Very high96.8Very high63 Ų6378.3 Ų78.344%0.44140%0.396SS..EExtended strand (participates in β ladder)trans-137.5123.7165.3-55.60000108.3I302S292-I302 PolarHBondContact N-O 3.17Å; S292-I302 PolarHBondContact O-N 3.13Å
293Y98Very high96.8Very high44 Ų4475.4 Ų75.417%0.17338%0.379CS..  trans-144.8105.4-175.1178.5-128.9000109.1L280 E281 A284 P295 L301L280-Y293 HydrophobicContact CB-CD1 4.13Å; L280-Y293 HydrophobicContact CB-CE1 3.69Å; L280-Y293 HydrophobicContact CB-CE2 4.12Å; L280-Y293 HydrophobicContact CD1-CD2 4.26Å; L280-Y293 HydrophobicContact CD1-CE2 3.63Å; E281-Y293 HydrophobicContact CG-CE1 4.21Å; E281-Y293 PolarHBondContact OE1-OH 3.22Å; A284-Y293 HydrophobicContact CB-CD1 4.17Å; A284-Y293 HydrophobicContact CB-CG 4.47Å; Y293-P295 HydrophobicContact CE2-CB 4.11Å; Y293-L301 HydrophobicContact CD2-CB 4.11Å; Y293-L301 HydrophobicContact CG-CB 4.29Å; Y293-L301 HydrophobicContact CG-CD1 4.46Å
294E95.9Very high96.9Very high129 Ų12981.2 Ų81.260%0.60341%0.405SS*.  trans-129.187.3179.8-64.6-64.4166.500106.2E296 L297 F298E294-E296 PolarHBondContact O-N 3.46Å; E294-E296 VanDerWaalsContact O-N 3.14Å; E294-L297 HydrophobicContact CB-CB 4.16Å; E294-L297 HydrophobicContact CB-CD1 3.96Å; E294-L297 HydrophobicContact CB-CG 4.16Å; E294-L297 HydrophobicContact CG-CD1 4.4Å; E294-L297 PolarHBondContact O-N 3.07Å; E294-F298 PolarHBondContact O-N 3.22Å
295P93.9Very high96.9Very high63 Ų6381.3 Ų81.341%0.40940%0.402SS..THydrogen-bonded Turntrans-62.2-26.6-165.221.6-32.8000114Y293 L297Y293-P295 HydrophobicContact CE2-CB 4.11Å; P295-L297 VanDerWaalsContact C-N 3.27Å; P295-L297 PolarHBondContact O-N 2.89Å
296E95.9Very high96.8Very high184 Ų18481.1 Ų81.186%0.8641%0.406SS*.THydrogen-bonded Turntrans-69.4-21.9173.8-54.8-56.3136.800113.3E294E294-E296 PolarHBondContact O-N 3.46Å; E294-E296 VanDerWaalsContact O-N 3.14Å
297L95.6Very high96.6Very high154 Ų15484 Ų8481%0.80641%0.41SS*.THydrogen-bonded Turntrans-100.2-39.1177.6-59.6-179.7000112E294 P295E294-L297 HydrophobicContact CB-CB 4.16Å; E294-L297 HydrophobicContact CB-CD1 3.96Å; E294-L297 HydrophobicContact CB-CG 4.16Å; E294-L297 HydrophobicContact CG-CD1 4.4Å; E294-L297 PolarHBondContact O-N 3.07Å; P295-L297 VanDerWaalsContact C-N 3.27Å; P295-L297 PolarHBondContact O-N 2.89Å
298F96.3Very high96.6Very high67 Ų6782.7 Ų82.729%0.29441%0.405SS..  trans-153.8127.2179.2-179.1-113.1000111.3E294 G300 I302 L313 F315E294-F298 PolarHBondContact O-N 3.22Å; F298-G300 WeakPolarHBondContact CD1-O 3.24Å; F298-G300 PolarHBondContact O-N 3.36Å; F298-G300 VanDerWaalsContact O-N 3.08Å; F298-I302 HydrophobicContact CD1-CD1 4.34Å; F298-I302 HydrophobicContact CD1-CG1 4.06Å; F298-I302 HydrophobicContact CE1-CG1 4.23Å; F298-L313 HydrophobicContact CE1-CD2 4.01Å; F298-L313 HydrophobicContact CZ-CD1 4.5Å; F298-L313 HydrophobicContact CZ-CD2 4.29Å; F298-F315 HydrophobicContact CZ-CE1 4.02Å; F298-F315 AromaticContact CZ-CZ 3.91Å; F298-F315 HydrophobicContact CZ-CZ 3.91Å
299P96.1Very high96.7Very high91 Ų9180.8 Ų80.859%0.59140%0.404SS*.SBendtrans-76.25.5-172.231.2-38000115.3
300G97.1Very high96.7Very high1 Ų172.4 Ų72.41%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-116.2156.2174.800000111.8F298 I314F298-G300 WeakPolarHBondContact CD1-O 3.24Å; F298-G300 PolarHBondContact O-N 3.36Å; F298-G300 VanDerWaalsContact O-N 3.08Å; G300-I314 CarbonylContact C-O 3.58Å; G300-I314 WeakPolarHBondContact CA-O 3.3Å
301L98.4Very high96.8Very high0 Ų070.8 Ų70.80%036%0.362CS..EExtended strand (participates in β ladder)trans-83.3127.6168.6-177.4151.8000109L280 L283 A284 Y293 Y303 I314L280-L301 HydrophobicContact CB-CB 4.5Å; L280-L301 HydrophobicContact CB-CD1 4.42Å; L280-L301 HydrophobicContact CD1-CB 4.2Å; L280-L301 HydrophobicContact CD2-CB 4.04Å; L280-L301 HydrophobicContact CG-CB 4.48Å; L280-L301 WeakPolarHBondContact O-CD1 3.44Å; L283-L301 HydrophobicContact CB-CD1 4.16Å; L283-L301 HydrophobicContact CD2-CD1 3.97Å; L283-L301 HydrophobicContact CD2-CD2 4.31Å; L283-L301 HydrophobicContact CG-CD1 3.81Å; A284-L301 HydrophobicContact CB-CD1 3.78Å; Y293-L301 HydrophobicContact CD2-CB 4.11Å; Y293-L301 HydrophobicContact CG-CB 4.29Å; Y293-L301 HydrophobicContact CG-CD1 4.46Å; L301-Y303 HydrophobicContact CD2-CD2 4.15Å; L301-I314 HydrophobicContact CB-CB 4.48Å; L301-I314 HydrophobicContact CD2-CD1 4.04Å; L301-I314 PolarHBondContact N-O 2.8Å; L301-I314 PolarHBondContact O-N 3.27Å
302I98.4Very high96.8Very high44 Ų4470.3 Ų70.323%0.22636%0.358CS..EExtended strand (participates in β ladder)trans-90.3116.4173.5-53178.1000107.7S291 S292 F298 V311 L313S291-I302 CarbonylContact C-O 3.55Å; S291-I302 WeakPolarHBondContact CA-O 3.39Å; S292-I302 PolarHBondContact N-O 3.17Å; S292-I302 PolarHBondContact O-N 3.13Å; F298-I302 HydrophobicContact CD1-CD1 4.34Å; F298-I302 HydrophobicContact CD1-CG1 4.06Å; F298-I302 HydrophobicContact CE1-CG1 4.23Å; I302-V311 HydrophobicContact CG2-CG1 3.69Å; I302-L313 HydrophobicContact CB-CD2 4.48Å; I302-L313 HydrophobicContact CG1-CD2 3.94Å; I302-L313 HydrophobicContact CG2-CD2 4.36Å
303Y98.4Very high96.9Very high16 Ų1667.9 Ų67.96%0.06334%0.341CS..EExtended strand (participates in β ladder)trans-113122.3178.1-165.2-79.1000110.2H287 F290 S291 L301 M305 V311 L312 I314 M338H287-Y303 HydrophobicContact CB-CE2 3.69Å; H287-Y303 AromaticContact CG-CE2 3.89Å; H287-Y303 AromaticContact ND1-CE2 3.67Å; H287-Y303 AromaticContact ND1-CZ 3.82Å; H287-Y303 PolarHBondContact ND1-OH 3.21Å; F290-Y303 HydrophobicContact CB-CD1 4.42Å; F290-Y303 HydrophobicContact CB-CD2 4.46Å; F290-Y303 HydrophobicContact CB-CE1 3.99Å; F290-Y303 HydrophobicContact CB-CE2 4.06Å; F290-Y303 WeakPolarHBondContact O-CA 3.46Å; S291-Y303 WeakPolarHBondContact OG-CD2 3.23Å; L301-Y303 HydrophobicContact CD2-CD2 4.15Å; Y303-M305 HydrophobicContact CD1-CB 4.45Å; Y303-M305 HydrophobicContact CE1-CB 4.47Å; Y303-V311 WeakPolarHBondContact O-CA 3.48Å; Y303-L312 HydrophobicContact CD1-CD1 4.19Å; Y303-L312 PolarHBondContact N-O 2.94Å; Y303-L312 PolarHBondContact O-N 2.68Å; Y303-I314 HydrophobicContact CG-CD1 4.42Å; Y303-M338 HydrophobicContact CD1-SD 4.09Å; Y303-M338 HydrophobicContact CD2-CE 3.83Å; Y303-M338 HydrophobicContact CD2-SD 4.33Å; Y303-M338 HydrophobicContact CE1-SD 3.94Å; Y303-M338 HydrophobicContact CE2-CE 3.75Å; Y303-M338 HydrophobicContact CE2-SD 4.16Å; Y303-M338 HydrophobicContact CG-CE 4.29Å; Y303-M338 HydrophobicContact CG-SD 4.29Å
304K98Very high96.9Very high123 Ų12365.8 Ų65.854%0.53533%0.332SS..EExtended strand (participates in β ladder)trans-97.8100.7178.8-63.1-179.1-178.4178.20109.3F290 V311F290-K304 PolarHBondContact O-N 2.95Å; K304-V311 HydrophobicContact CG-CG2 4.5Å
305M97.3Very high97Very high20 Ų2061.5 Ų61.510%0.09931%0.312CS..EExtended strand (participates in β ladder)trans-81.2134.2176.1-170.8169.8-75.900110.1Y303 K307 P308 V310 L312 A334 N337 M338Y303-M305 HydrophobicContact CD1-CB 4.45Å; Y303-M305 HydrophobicContact CE1-CB 4.47Å; M305-K307 WeakPolarHBondContact CG-O 3.47Å; M305-P308 CarbonylContact C-O 3.5Å; M305-P308 WeakPolarHBondContact CG-O 3.36Å; M305-V310 HydrophobicContact CB-CG2 3.99Å; M305-V310 PolarHBondContact N-O 2.97Å; M305-V310 PolarHBondContact O-N 2.64Å; M305-V310 HydrophobicContact SD-CG2 4.39Å; M305-L312 HydrophobicContact CB-CD1 3.91Å; M305-L312 HydrophobicContact CE-CD1 4.22Å; M305-A334 WeakPolarHBondContact CE-O 3.16Å; M305-A334 HydrophobicContact SD-CB 3.75Å; M305-N337 HydrophobicContact CE-CB 4.07Å; M305-N337 HydrophobicContact SD-CB 4.36Å; M305-M338 HydrophobicContact CE-CB 4.07Å; M305-M338 HydrophobicContact CE-SD 4.2Å
306V95.4Very high97.2Very high111 Ų11160.2 Ų60.267%0.67331%0.306SS*.THydrogen-bonded Turntrans-85.9-35.6-178.3-179.20000111.7F290 P308F290-V306 HydrophobicContact CD1-CG2 4.18Å; F290-V306 HydrophobicContact CE1-CG2 3.83Å; V306-P308 CarbonylContact C-O 3.6Å
307K93.8Very high97.3Very high155 Ų15554.9 Ų54.967%0.67429%0.289SS*.THydrogen-bonded Turntrans-137.4119.8175.6-172.4-174.9172.8-170.70110.8M305M305-K307 WeakPolarHBondContact CG-O 3.47Å
308P96.3Very high97.3Very high10 Ų1047.5 Ų47.57%0.06525%0.251CS..THydrogen-bonded Turncis-61.4163.2-16.829.5-34.8000110.7M305 V306 V310 E330 E333 A334M305-P308 CarbonylContact C-O 3.5Å; M305-P308 WeakPolarHBondContact CG-O 3.36Å; V306-P308 CarbonylContact C-O 3.6Å; P308-V310 HydrophobicContact CG-CG1 4.42Å; P308-V310 PolarHBondContact O-N 2.91Å; P308-E330 HydrophobicContact CB-CB 3.89Å; P308-E330 HydrophobicContact CB-CG 4Å; P308-E330 HydrophobicContact CG-CB 4.07Å; P308-E330 VanDerWaalsContact CG-O 3.24Å; P308-E330 WeakPolarHBondContact CG-O 3.47Å; P308-E333 HydrophobicContact CG-CB 4.26Å; P308-E333 HydrophobicContact CG-CG 4.43Å; P308-A334 HydrophobicContact CG-CB 3.92Å
309Q96.7Very high97.4Very high152 Ų15247.2 Ų47.271%0.7125%0.249SC*.THydrogen-bonded Turntrans-79.181.9-174.1-169.9-171.94.400111
310V97.7Very high97.5Very high4 Ų442.9 Ų42.92%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-133.1159.3-176.9-56.70000112.6M305 P308 L312 A325 E330 A334M305-V310 HydrophobicContact CB-CG2 3.99Å; M305-V310 PolarHBondContact N-O 2.97Å; M305-V310 PolarHBondContact O-N 2.64Å; M305-V310 HydrophobicContact SD-CG2 4.39Å; P308-V310 HydrophobicContact CG-CG1 4.42Å; P308-V310 PolarHBondContact O-N 2.91Å; V310-L312 HydrophobicContact CG2-CD1 3.96Å; V310-A325 HydrophobicContact CG1-CB 4Å; V310-E330 HydrophobicContact CG1-CB 4.46Å; V310-A334 HydrophobicContact CG2-CB 3.46Å; V310-A334 VanDerWaalsContact CG2-CB 3.46Å
311V98.4Very high97.6Very high45 Ų4543.4 Ų43.427%0.27322%0.224SC..EExtended strand (participates in β ladder)trans-109.9130.1172.8-176.80000109.2I302 Y303 K304 T323I302-V311 HydrophobicContact CG2-CG1 3.69Å; Y303-V311 WeakPolarHBondContact O-CA 3.48Å; K304-V311 HydrophobicContact CG-CG2 4.5Å; V311-T323 HydrophobicContact CB-CG2 4.24Å; V311-T323 PolarHBondContact N-O 2.86Å; V311-T323 PolarHBondContact O-N 2.91Å
312L98.4Very high97.6Very high0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-108.5137.4174.4-54.887.9000109.8Y303 M305 V310 I314 V320 V321 L322 M338Y303-L312 HydrophobicContact CD1-CD1 4.19Å; Y303-L312 PolarHBondContact N-O 2.94Å; Y303-L312 PolarHBondContact O-N 2.68Å; M305-L312 HydrophobicContact CB-CD1 3.91Å; M305-L312 HydrophobicContact CE-CD1 4.22Å; V310-L312 HydrophobicContact CG2-CD1 3.96Å; L312-I314 HydrophobicContact CB-CD1 4.3Å; L312-I314 HydrophobicContact CB-CG1 4.16Å; L312-V320 HydrophobicContact CB-CG1 4.34Å; L312-V320 HydrophobicContact CD2-CG1 4.22Å; L312-V321 CarbonylContact C-O 3.39Å; L312-V321 VanDerWaalsContact CA-O 3.3Å; L312-V321 WeakPolarHBondContact CA-O 3.41Å; L312-L322 HydrophobicContact CD2-CD2 3.66Å; L312-L322 HydrophobicContact CD2-CG 3.96Å; L312-L322 HydrophobicContact CG-CD2 4.01Å; L312-L322 HydrophobicContact CG-CG 4.03Å; L312-M338 HydrophobicContact CD2-CB 4Å; L312-M338 HydrophobicContact CD2-CG 3.95Å
313L98.4Very high97.5Very high13 Ų1341.7 Ų41.77%0.06822%0.216CC..EExtended strand (participates in β ladder)trans-109105.3172.1-54.8172.9000107.2L71 F298 I302 F315 V320 V321L71-L313 HydrophobicContact CD2-CD1 4.16Å; F298-L313 HydrophobicContact CE1-CD2 4.01Å; F298-L313 HydrophobicContact CZ-CD1 4.5Å; F298-L313 HydrophobicContact CZ-CD2 4.29Å; I302-L313 HydrophobicContact CB-CD2 4.48Å; I302-L313 HydrophobicContact CG1-CD2 3.94Å; I302-L313 HydrophobicContact CG2-CD2 4.36Å; L313-F315 HydrophobicContact CB-CE2 4.19Å; L313-V320 WeakPolarHBondContact O-CA 3.32Å; L313-V321 HydrophobicContact CB-CB 4.28Å; L313-V321 HydrophobicContact CD1-CB 4.5Å; L313-V321 PolarHBondContact N-O 3.04Å; L313-V321 PolarHBondContact O-N 3.11Å
314I98.5Very high97.4Very high0 Ų042.4 Ų42.40%023%0.228CC..EExtended strand (participates in β ladder)trans-107.4117.7-170.2-59.5157000108.7I278 L280 L283 G300 L301 Y303 L312 V320 M338 L342I278-I314 HydrophobicContact CD1-CG2 3.97Å; L280-I314 HydrophobicContact CD2-CG2 3.84Å; L283-I314 HydrophobicContact CD2-CD1 4.38Å; G300-I314 CarbonylContact C-O 3.58Å; G300-I314 WeakPolarHBondContact CA-O 3.3Å; L301-I314 HydrophobicContact CB-CB 4.48Å; L301-I314 HydrophobicContact CD2-CD1 4.04Å; L301-I314 PolarHBondContact N-O 2.8Å; L301-I314 PolarHBondContact O-N 3.27Å; Y303-I314 HydrophobicContact CG-CD1 4.42Å; L312-I314 HydrophobicContact CB-CD1 4.3Å; L312-I314 HydrophobicContact CB-CG1 4.16Å; I314-V320 HydrophobicContact CG1-CG1 4.06Å; I314-V320 HydrophobicContact CG1-CG2 4.29Å; I314-V320 HydrophobicContact CG2-CG2 4.31Å; I314-M338 HydrophobicContact CD1-CE 3.93Å; I314-L342 HydrophobicContact CD1-CD2 4Å; I314-L342 HydrophobicContact CG1-CD2 4.44Å; I314-L342 HydrophobicContact CG2-CD2 3.89Å
315F98.4Very high97.4Very high39 Ų3936.6 Ų36.617%0.17120%0.203CC..EExtended strand (participates in β ladder)trans-98147.6-178.6-62.2-87000111.2F298 L313 S317 G318 K319 V321F298-F315 HydrophobicContact CZ-CE1 4.02Å; F298-F315 AromaticContact CZ-CZ 3.91Å; F298-F315 HydrophobicContact CZ-CZ 3.91Å; L313-F315 HydrophobicContact CB-CE2 4.19Å; F315-S317 PolarHBondContact O-N 2.84Å; F315-G318 PolarHBondContact O-N 3.06Å; F315-K319 HydrophobicContact CB-CB 4.37Å; F315-K319 HydrophobicContact CD2-CB 4.28Å; F315-K319 WeakPolarHBondContact CD2-O 3.19Å; F315-K319 PolarHBondContact N-O 3.48Å; F315-V321 HydrophobicContact CE2-CG2 4.42Å
316A97.6Very high97.3Very high35 Ų3540.5 Ų40.529%0.28922%0.22SC..THydrogen-bonded Turntrans-61.1-13.9-177.400000114.3P277 I278 L280P277-A316 CarbonylContact C-O 3.59Å; P277-A316 VanDerWaalsContact CA-O 3.24Å; P277-A316 WeakPolarHBondContact CA-O 3.45Å; P277-A316 WeakPolarHBondContact CB-O 3.26Å; I278-A316 PolarHBondContact N-O 2.87Å; L280-A316 HydrophobicContact CD1-CB 3.91Å; L280-A316 HydrophobicContact CG-CB 4.03Å
317S97.6Very high97.4Very high72 Ų7241.1 Ų41.150%0.50322%0.215SC..THydrogen-bonded Turntrans-80.8-10.3174.854.80000114.9F315F315-S317 PolarHBondContact O-N 2.84Å
318G97.1Very high97.5Very high0 Ų037.7 Ų37.70%020%0.198CC..SBendtrans95.8-7.5-173.600000114.7D273 V274 F276 F315D273-G318 CarbonylContact C-O 3.57Å; D273-G318 WeakPolarHBondContact CA-O 3.22Å; V274-G318 PolarHBondContact N-O 2.99Å; F276-G318 VanDerWaalsContact O-CA 3.23Å; F276-G318 WeakPolarHBondContact O-CA 3.05Å; F315-G318 PolarHBondContact O-N 3.06Å
319K98.1Very high97.6Very high60 Ų6040.1 Ų40.126%0.26122%0.215SC..EExtended strand (participates in β ladder)trans-67.6138.1170-67.9-173172.3-156.40110.4F66 D273 F315F66-K319 HydrophobicContact CE1-CD 3.62Å; F66-K319 HydrophobicContact CE1-CG 4.15Å; F66-K319 HydrophobicContact CZ-CD 3.67Å; F66-K319 HydrophobicContact CZ-CG 4.1Å; F66-K319 VanDerWaalsContact CZ-NZ 3.25Å; D273-K319 HydrophobicContact CB-CG 4.32Å; F315-K319 HydrophobicContact CB-CB 4.37Å; F315-K319 HydrophobicContact CD2-CB 4.28Å; F315-K319 WeakPolarHBondContact CD2-O 3.19Å; F315-K319 PolarHBondContact N-O 3.48Å
320V98.3Very high97.6Very high1 Ų135 Ų351%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-134.5136.8176.6-175.80000109.8S271 C272 L312 L313 I314 L322 L342S271-V320 CarbonylContact C-O 3.59Å; S271-V320 VanDerWaalsContact CA-O 3.26Å; S271-V320 WeakPolarHBondContact CA-O 3.5Å; S271-V320 WeakPolarHBondContact CB-O 3.25Å; C272-V320 PolarHBondContact N-O 2.88Å; C272-V320 PolarHBondContact O-N 2.91Å; C272-V320 VanDerWaalsContact O-O 3.12Å; L312-V320 HydrophobicContact CB-CG1 4.34Å; L312-V320 HydrophobicContact CD2-CG1 4.22Å; L313-V320 WeakPolarHBondContact O-CA 3.32Å; I314-V320 HydrophobicContact CG1-CG1 4.06Å; I314-V320 HydrophobicContact CG1-CG2 4.29Å; I314-V320 HydrophobicContact CG2-CG2 4.31Å; V320-L322 HydrophobicContact CG1-CD1 4.12Å; V320-L322 HydrophobicContact CG1-CG 4.42Å; V320-L342 HydrophobicContact CG2-CD1 3.93Å
321V98.5Very high97.6Very high11 Ų1135 Ų357%0.06719%0.191CC..EExtended strand (participates in β ladder)trans-116.8138.4169.9-179.10000108.4V269 G270 L312 L313 F315V269-V321 HydrophobicContact CG1-CG1 3.72Å; G270-V321 CarbonylContact O-C 3.55Å; G270-V321 WeakPolarHBondContact O-CA 3.48Å; L312-V321 CarbonylContact C-O 3.39Å; L312-V321 VanDerWaalsContact CA-O 3.3Å; L312-V321 WeakPolarHBondContact CA-O 3.41Å; L313-V321 HydrophobicContact CB-CB 4.28Å; L313-V321 HydrophobicContact CD1-CB 4.5Å; L313-V321 PolarHBondContact N-O 3.04Å; L313-V321 PolarHBondContact O-N 3.11Å; F315-V321 HydrophobicContact CE2-CG2 4.42Å
322L98.3Very high97.5Very high1 Ų136.6 Ų36.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-119.8135179.2-57.692.2000109V269 G270 L312 V320 I331 A334 F335V269-L322 CarbonylContact C-O 3.54Å; V269-L322 VanDerWaalsContact CA-O 3.31Å; V269-L322 WeakPolarHBondContact CA-O 3.5Å; G270-L322 PolarHBondContact N-O 3.36Å; G270-L322 PolarHBondContact O-N 2.85Å; L312-L322 HydrophobicContact CD2-CD2 3.66Å; L312-L322 HydrophobicContact CD2-CG 3.96Å; L312-L322 HydrophobicContact CG-CD2 4.01Å; L312-L322 HydrophobicContact CG-CG 4.03Å; V320-L322 HydrophobicContact CG1-CD1 4.12Å; V320-L322 HydrophobicContact CG1-CG 4.42Å; L322-I331 HydrophobicContact CB-CG2 4.35Å; L322-I331 HydrophobicContact CD2-CG2 4.41Å; L322-A334 HydrophobicContact CD2-CB 3.83Å; L322-F335 HydrophobicContact CD2-CB 4.29Å
323T97.6Very high97.5Very high8 Ų840 Ų405%0.04921%0.209CC..EExtended strand (participates in β ladder)trans-148.9160-178.4-177.80000111.3L74 N267 V311L74-T323 HydrophobicContact CD1-CG2 4.27Å; L74-T323 HydrophobicContact CD2-CG2 4.09Å; N267-T323 PolarHBondContact ND2-OG1 2.91Å; N267-T323 PolarHBondContact OD1-OG1 2.94Å; V311-T323 HydrophobicContact CB-CG2 4.24Å; V311-T323 PolarHBondContact N-O 2.86Å; V311-T323 PolarHBondContact O-N 2.91Å
324G95.6Very high97.4Very high31 Ų3139.4 Ų39.432%0.3221%0.205SC..EExtended strand (participates in β ladder)trans101.6-15.7-177.300000113.9N267N267-G324 VanDerWaalsContact OD1-CA 3.31Å; N267-G324 WeakPolarHBondContact OD1-CA 3.48Å; N267-G324 PolarHBondContact OD1-N 3.31Å
325A97.3Very high97.4Very high1 Ų139.6 Ų39.61%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-63.9145.1174.300000111.6N267 M268 V310 E330 I331N267-A325 CarbonylContact C-O 3.57Å; N267-A325 VanDerWaalsContact CA-O 3.3Å; N267-A325 WeakPolarHBondContact CA-O 3.38Å; M268-A325 HydrophobicContact CB-CB 4.42Å; M268-A325 PolarHBondContact N-O 3.19Å; V310-A325 HydrophobicContact CG1-CB 4Å; A325-E330 WeakPolarHBondContact CA-OE2 3.24Å; A325-E330 HydrophobicContact CB-CB 3.93Å; A325-I331 HydrophobicContact CB-CD1 4.09Å; A325-I331 HydrophobicContact CB-CG1 3.55Å
326K96.6Very high97.3Very high102 Ų10243.1 Ų43.144%0.44322%0.223SC..SBendtrans-108.4-18.9171.3-69.7148.9-169.5150.30111.7E330K326-E330 PolarHBondContact N-OE2 3.33Å
327E97Very high97.2Very high124 Ų12445.2 Ų45.258%0.57923%0.229SC*.SBendtrans-124.4150.5175.1-59.9-171.6177.600112S329 E330E327-S329 VanDerWaalsContact CB-OG 3.22Å; E327-S329 WeakPolarHBondContact CB-OG 3.43Å; E327-S329 PolarHBondContact O-N 3.27Å; E327-S329 PolarHBondContact OE2-OG 2.87Å; E327-E330 HydrophobicContact CB-CG 4.4Å; E327-E330 PolarHBondContact N-OE2 3.1Å; E327-E330 PolarHBondContact O-N 2.83Å
328R96.3Very high97.1Very high83 Ų8341.8 Ų41.831%0.31321%0.205SC..Hα-helixtrans-63-32.7-179.5-156.5-174.9-65.1179-3.9112.5L175 E237 E238 M268 E330 I331 Y332L175-R328 HydrophobicContact CD1-CG 4.16Å; L175-R328 HydrophobicContact CD2-CG 4.39Å; L175-R328 HydrophobicContact CG-CG 4.5Å; E237-R328 IonicContact OE1-CZ 3.68Å; E237-R328 VanDerWaalsContact OE1-CZ 3.3Å; E237-R328 IonicContact OE1-NE 3.42Å; E237-R328 PolarHBondContact OE1-NE 3.21Å; E237-R328 IonicContact OE1-NH2 3.94Å; E237-R328 PolarHBondContact OE1-NH2 2.95Å; E237-R328 IonicContact OE2-CZ 2.64Å; E237-R328 IonicContact OE2-NE 3.61Å; E237-R328 PolarHBondContact OE2-NE 2.95Å; E237-R328 IonicContact OE2-NH2 2.66Å; E237-R328 PolarHBondContact OE2-NH2 3.46Å; E238-R328 IonicContact OE1-NH2 2.79Å; E238-R328 PolarHBondContact OE1-NH2 2.83Å; E238-R328 IonicContact OE2-NH2 3.19Å; M268-R328 HydrophobicContact CE-CB 3.97Å; M268-R328 HydrophobicContact CE-CG 4.17Å; R328-E330 PolarHBondContact O-N 3.08Å; R328-I331 PolarHBondContact O-N 3.43Å; R328-Y332 HydrophobicContact CG-CE2 3.69Å; R328-Y332 VanDerWaalsContact O-CD2 3.27Å; R328-Y332 WeakPolarHBondContact O-CD2 3.46Å; R328-Y332 PolarHBondContact O-N 3.21Å
329S97Very high97.1Very high60 Ų6043 Ų4342%0.4221%0.21SC..Hα-helixtrans-53-47.1173.438.50000112.7E327 I331 Y332 E333E327-S329 VanDerWaalsContact CB-OG 3.22Å; E327-S329 WeakPolarHBondContact CB-OG 3.43Å; E327-S329 PolarHBondContact O-N 3.27Å; E327-S329 PolarHBondContact OE2-OG 2.87Å; S329-I331 VanDerWaalsContact C-N 3.25Å; S329-I331 PolarHBondContact O-N 3.16Å; S329-Y332 PolarHBondContact O-N 3.43Å; S329-Y332 VanDerWaalsContact O-N 3.08Å; S329-E333 PolarHBondContact O-N 3.36Å
330E97.6Very high97Very high46 Ų4643.3 Ų43.322%0.21522%0.218CC..Hα-helixtrans-62.6-31.7-177.6-62174.8122.700112.3P308 V310 A325 K326 E327 R328 A334P308-E330 HydrophobicContact CB-CB 3.89Å; P308-E330 HydrophobicContact CB-CG 4Å; P308-E330 HydrophobicContact CG-CB 4.07Å; P308-E330 VanDerWaalsContact CG-O 3.24Å; P308-E330 WeakPolarHBondContact CG-O 3.47Å; V310-E330 HydrophobicContact CG1-CB 4.46Å; A325-E330 WeakPolarHBondContact CA-OE2 3.24Å; A325-E330 HydrophobicContact CB-CB 3.93Å; K326-E330 PolarHBondContact N-OE2 3.33Å; E327-E330 HydrophobicContact CB-CG 4.4Å; E327-E330 PolarHBondContact N-OE2 3.1Å; E327-E330 PolarHBondContact O-N 2.83Å; R328-E330 PolarHBondContact O-N 3.08Å; E330-A334 WeakPolarHBondContact O-CB 3.14Å; E330-A334 PolarHBondContact O-N 2.71Å
331I97.7Very high96.9Very high2 Ų245.1 Ų45.11%0.0123%0.228CC..Hα-helixtrans-70.6-36.8176.7-62.1175.8000110.9P173 L175 M268 L322 A325 R328 S329 F335P173-I331 HydrophobicContact CB-CG2 3.8Å; P173-I331 HydrophobicContact CG-CG2 4.44Å; L175-I331 HydrophobicContact CD2-CD1 3.62Å; M268-I331 HydrophobicContact CB-CD1 3.77Å; L322-I331 HydrophobicContact CB-CG2 4.35Å; L322-I331 HydrophobicContact CD2-CG2 4.41Å; A325-I331 HydrophobicContact CB-CD1 4.09Å; A325-I331 HydrophobicContact CB-CG1 3.55Å; R328-I331 PolarHBondContact O-N 3.43Å; S329-I331 VanDerWaalsContact C-N 3.25Å; S329-I331 PolarHBondContact O-N 3.16Å; I331-F335 WeakPolarHBondContact O-CB 3.34Å; I331-F335 PolarHBondContact O-N 2.82Å
332Y96.9Very high96.9Very high79 Ų7944.6 Ų44.631%0.3122%0.224SC..Hα-helixtrans-73.5-49.7177.2-59.7-47.3000111.5V172 P173 R328 S329 A334 F335 E336V172-Y332 HydrophobicContact CG1-CE1 3.83Å; P173-Y332 HydrophobicContact CB-CD1 4.29Å; P173-Y332 HydrophobicContact CB-CE1 4.2Å; P173-Y332 HydrophobicContact CG-CD1 4.15Å; P173-Y332 HydrophobicContact CG-CE1 4.48Å; P173-Y332 WeakPolarHBondContact O-CE1 3.37Å; R328-Y332 HydrophobicContact CG-CE2 3.69Å; R328-Y332 VanDerWaalsContact O-CD2 3.27Å; R328-Y332 WeakPolarHBondContact O-CD2 3.46Å; R328-Y332 PolarHBondContact O-N 3.21Å; S329-Y332 PolarHBondContact O-N 3.43Å; S329-Y332 VanDerWaalsContact O-N 3.08Å; Y332-A334 VanDerWaalsContact C-N 3.3Å; Y332-A334 PolarHBondContact O-N 3.18Å; Y332-F335 PolarHBondContact O-N 2.85Å; Y332-F335 VanDerWaalsContact O-N 3.09Å; Y332-E336 WeakPolarHBondContact O-CG 3.18Å; Y332-E336 PolarHBondContact O-N 3.46Å
333E96.9Very high96.8Very high73 Ų7348.9 Ų48.934%0.34124%0.244SC..Hα-helixtrans-56.8-43.5176.2-174.5-173.5167.400111.2P308 S329 F335 E336 N337P308-E333 HydrophobicContact CG-CB 4.26Å; P308-E333 HydrophobicContact CG-CG 4.43Å; S329-E333 PolarHBondContact O-N 3.36Å; E333-F335 PolarHBondContact O-N 2.82Å; E333-E336 PolarHBondContact O-N 2.88Å; E333-N337 VanDerWaalsContact O-CB 3.32Å; E333-N337 WeakPolarHBondContact O-CB 3.44Å; E333-N337 VanDerWaalsContact O-CG 3.26Å; E333-N337 PolarHBondContact O-N 2.78Å; E333-N337 PolarHBondContact O-ND2 3.03Å
334A97.6Very high96.7Very high0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-63.6-38.5176.600000113.5M305 P308 V310 L322 E330 Y332 M338M305-A334 WeakPolarHBondContact CE-O 3.16Å; M305-A334 HydrophobicContact SD-CB 3.75Å; P308-A334 HydrophobicContact CG-CB 3.92Å; V310-A334 HydrophobicContact CG2-CB 3.46Å; V310-A334 VanDerWaalsContact CG2-CB 3.46Å; L322-A334 HydrophobicContact CD2-CB 3.83Å; E330-A334 WeakPolarHBondContact O-CB 3.14Å; E330-A334 PolarHBondContact O-N 2.71Å; Y332-A334 VanDerWaalsContact C-N 3.3Å; Y332-A334 PolarHBondContact O-N 3.18Å; A334-M338 VanDerWaalsContact O-CB 3.25Å; A334-M338 WeakPolarHBondContact O-CB 3.21Å; A334-M338 PolarHBondContact O-N 3.1Å
335F97.3Very high96.8Very high4 Ų451.5 Ų51.52%0.01826%0.256CS..Hα-helixtrans-73.1-40.8178.3-178.1-107.8000112.2I171 P173 C272 V274 L322 I331 Y332 E333 M338 Y339I171-F335 HydrophobicContact CB-CE1 3.99Å; I171-F335 HydrophobicContact CB-CZ 4.06Å; I171-F335 HydrophobicContact CG2-CE1 4.03Å; I171-F335 HydrophobicContact CG2-CZ 3.82Å; I171-F335 WeakPolarHBondContact O-CE1 3.47Å; P173-F335 HydrophobicContact CG-CB 3.56Å; P173-F335 HydrophobicContact CG-CD1 3.72Å; P173-F335 HydrophobicContact CG-CD2 4.36Å; P173-F335 HydrophobicContact CG-CG 3.59Å; C272-F335 HydrophobicContact CB-CE2 4.26Å; C272-F335 HydrophobicContact CB-CZ 4.46Å; C272-F335 WeakPolarHBondContact SG-CD2 3.44Å; C272-F335 WeakPolarHBondContact SG-CE2 3.49Å; V274-F335 HydrophobicContact CG1-CE2 3.93Å; V274-F335 HydrophobicContact CG1-CZ 4.08Å; L322-F335 HydrophobicContact CD2-CB 4.29Å; I331-F335 WeakPolarHBondContact O-CB 3.34Å; I331-F335 PolarHBondContact O-N 2.82Å; Y332-F335 PolarHBondContact O-N 2.85Å; Y332-F335 VanDerWaalsContact O-N 3.09Å; E333-F335 PolarHBondContact O-N 2.82Å; F335-M338 PolarHBondContact O-N 2.83Å; F335-Y339 HydrophobicContact CE1-CD2 4.3Å; F335-Y339 HydrophobicContact CE2-CD2 4.43Å; F335-Y339 AromaticContact CZ-CD2 3.77Å; F335-Y339 HydrophobicContact CZ-CD2 3.77Å; F335-Y339 WeakPolarHBondContact O-CB 3.5Å; F335-Y339 PolarHBondContact O-N 3.48Å
336E95.9Very high96.7Very high113 Ų11355.7 Ų55.753%0.52827%0.274SS..Hα-helixtrans-62.4-42.6175.3-71.7-179.5173.300111.5Y332 E333 M338 P340Y332-E336 WeakPolarHBondContact O-CG 3.18Å; Y332-E336 PolarHBondContact O-N 3.46Å; E333-E336 PolarHBondContact O-N 2.88Å; E336-M338 PolarHBondContact O-N 3.34Å; E336-P340 WeakPolarHBondContact O-CD 3.39Å
337N95.7Very high96.5Very high78 Ų7854.5 Ų54.542%0.41727%0.268SS..Hα-helixtrans-64.3-36.3173.5-75-28.7000112.8M305 E333M305-N337 HydrophobicContact CE-CB 4.07Å; M305-N337 HydrophobicContact SD-CB 4.36Å; E333-N337 VanDerWaalsContact O-CB 3.32Å; E333-N337 WeakPolarHBondContact O-CB 3.44Å; E333-N337 VanDerWaalsContact O-CG 3.26Å; E333-N337 PolarHBondContact O-N 2.78Å; E333-N337 PolarHBondContact O-ND2 3.03Å
338M96.4Very high95.6Very high0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-84.5-32.7-176.5-16269.7-154.800113.5L283 Y303 M305 L312 I314 A334 F335 E336 I341 L342L283-M338 HydrophobicContact CD1-CE 4.15Å; L283-M338 HydrophobicContact CD2-CE 4.46Å; Y303-M338 HydrophobicContact CD1-SD 4.09Å; Y303-M338 HydrophobicContact CD2-CE 3.83Å; Y303-M338 HydrophobicContact CD2-SD 4.33Å; Y303-M338 HydrophobicContact CE1-SD 3.94Å; Y303-M338 HydrophobicContact CE2-CE 3.75Å; Y303-M338 HydrophobicContact CE2-SD 4.16Å; Y303-M338 HydrophobicContact CG-CE 4.29Å; Y303-M338 HydrophobicContact CG-SD 4.29Å; M305-M338 HydrophobicContact CE-CB 4.07Å; M305-M338 HydrophobicContact CE-SD 4.2Å; L312-M338 HydrophobicContact CD2-CB 4Å; L312-M338 HydrophobicContact CD2-CG 3.95Å; I314-M338 HydrophobicContact CD1-CE 3.93Å; A334-M338 VanDerWaalsContact O-CB 3.25Å; A334-M338 WeakPolarHBondContact O-CB 3.21Å; A334-M338 PolarHBondContact O-N 3.1Å; F335-M338 PolarHBondContact O-N 2.83Å; E336-M338 PolarHBondContact O-N 3.34Å; M338-I341 HydrophobicContact CE-CB 4.02Å; M338-I341 HydrophobicContact CE-CD1 4.4Å; M338-I341 HydrophobicContact CE-CG2 3.74Å; M338-I341 WeakPolarHBondContact O-CA 3.38Å; M338-I341 VanDerWaalsContact O-CB 3.32Å; M338-I341 WeakPolarHBondContact O-CB 3.4Å; M338-I341 PolarHBondContact O-N 2.9Å; M338-I341 HydrophobicContact SD-CB 4.48Å; M338-I341 HydrophobicContact SD-CD1 4.04Å; M338-L342 HydrophobicContact CE-CD2 3.67Å; M338-L342 HydrophobicContact CE-CG 4.33Å; M338-L342 HydrophobicContact CG-CD1 4.16Å; M338-L342 HydrophobicContact CG-CD2 4.12Å; M338-L342 HydrophobicContact CG-CG 3.95Å; M338-L342 WeakPolarHBondContact O-CG 3.39Å; M338-L342 PolarHBondContact O-N 2.94Å
339Y96.9Very high95.6Very high26 Ų2656.9 Ų56.910%0.10230%0.298CS..Hα-helixtrans-50.9-52.6-174.4-178.6-89.2000114.7S169 I171 V274 F276 F335 I341 L342 E343S169-Y339 VanDerWaalsContact CB-CE2 3.43Å; I171-Y339 HydrophobicContact CD1-CE2 4.35Å; V274-Y339 HydrophobicContact CB-CE2 4.29Å; V274-Y339 HydrophobicContact CG1-CD2 4.14Å; V274-Y339 HydrophobicContact CG1-CE2 4.27Å; F276-Y339 HydrophobicContact CE1-CE2 4.14Å; F276-Y339 HydrophobicContact CZ-CE2 4.45Å; F335-Y339 HydrophobicContact CE1-CD2 4.3Å; F335-Y339 HydrophobicContact CE2-CD2 4.43Å; F335-Y339 AromaticContact CZ-CD2 3.77Å; F335-Y339 HydrophobicContact CZ-CD2 3.77Å; F335-Y339 WeakPolarHBondContact O-CB 3.5Å; F335-Y339 PolarHBondContact O-N 3.48Å; Y339-I341 PolarHBondContact O-N 3.28Å; Y339-L342 PolarHBondContact O-N 3.24Å; Y339-L342 VanDerWaalsContact O-N 3.11Å; Y339-E343 HydrophobicContact CE1-CB 4.24Å; Y339-E343 PolarHBondContact O-N 3.25Å; Y339-E343 PolarHBondContact OH-OE1 3.39Å
340P96.4Very high95.5Very high66 Ų6656.7 Ų56.743%0.42929%0.291SS..Hα-helixtrans-65.2-27.7-179.326.4-34.8000112.6E336 S344E336-P340 WeakPolarHBondContact O-CD 3.39Å; P340-S344 PolarHBondContact O-N 2.86Å
341I96.4Very high95.4Very high40 Ų4057.3 Ų57.321%0.20530%0.296CS..Hα-helixtrans-65.2-51.4172.5-55.9172.1000109.1L283 H287 M338 Y339 E343 S344 F345L283-I341 HydrophobicContact CD1-CG2 4.01Å; H287-I341 WeakPolarHBondContact NE2-CG2 3.5Å; M338-I341 HydrophobicContact CE-CB 4.02Å; M338-I341 HydrophobicContact CE-CD1 4.4Å; M338-I341 HydrophobicContact CE-CG2 3.74Å; M338-I341 WeakPolarHBondContact O-CA 3.38Å; M338-I341 VanDerWaalsContact O-CB 3.32Å; M338-I341 WeakPolarHBondContact O-CB 3.4Å; M338-I341 PolarHBondContact O-N 2.9Å; M338-I341 HydrophobicContact SD-CB 4.48Å; M338-I341 HydrophobicContact SD-CD1 4.04Å; Y339-I341 PolarHBondContact O-N 3.28Å; I341-E343 VanDerWaalsContact C-N 3.31Å; I341-E343 PolarHBondContact O-N 2.84Å; I341-S344 PolarHBondContact O-N 3.45Å; I341-S344 PolarHBondContact O-OG 3.02Å; I341-F345 HydrophobicContact CG2-CD2 4.11Å; I341-F345 HydrophobicContact CG2-CE2 3.81Å; I341-F345 WeakPolarHBondContact O-CD2 3.24Å; I341-F345 PolarHBondContact O-N 2.91Å
342L96.8Very high95.3Very high0 Ų060.5 Ų60.50%031%0.312CS..Hα-helixtrans-59.8-40.9179.6-59179.8000112.1V274 F276 I278 L283 I314 V320 M338 Y339 S344 F345 K346V274-L342 HydrophobicContact CG1-CD1 3.98Å; F276-L342 HydrophobicContact CE2-CB 4.49Å; F276-L342 WeakPolarHBondContact CE2-O 3.39Å; F276-L342 HydrophobicContact CZ-CB 4.47Å; I278-L342 HydrophobicContact CD1-CB 4.21Å; I278-L342 HydrophobicContact CD1-CD1 4.42Å; I278-L342 HydrophobicContact CD1-CD2 4.15Å; I278-L342 HydrophobicContact CD1-CG 4.47Å; L283-L342 HydrophobicContact CD2-CD2 4.05Å; I314-L342 HydrophobicContact CD1-CD2 4Å; I314-L342 HydrophobicContact CG1-CD2 4.44Å; I314-L342 HydrophobicContact CG2-CD2 3.89Å; V320-L342 HydrophobicContact CG2-CD1 3.93Å; M338-L342 HydrophobicContact CE-CD2 3.67Å; M338-L342 HydrophobicContact CE-CG 4.33Å; M338-L342 HydrophobicContact CG-CD1 4.16Å; M338-L342 HydrophobicContact CG-CD2 4.12Å; M338-L342 HydrophobicContact CG-CG 3.95Å; M338-L342 WeakPolarHBondContact O-CG 3.39Å; M338-L342 PolarHBondContact O-N 2.94Å; Y339-L342 PolarHBondContact O-N 3.24Å; Y339-L342 VanDerWaalsContact O-N 3.11Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.05Å; L342-F345 CarbonylContact O-C 3.48Å; L342-F345 PolarHBondContact O-N 2.9Å; L342-F345 VanDerWaalsContact O-N 3.1Å; L342-K346 PolarHBondContact O-N 3.14Å; L342-K346 VanDerWaalsContact O-N 3.16Å
343E96.1Very high95.2Very high90 Ų9059.4 Ų59.442%0.42131%0.313SS..Hα-helixtrans-61.4-38178.3-169.7161.8-113.700112.2F276 Y339 I341 F345 K346F276-E343 HydrophobicContact CZ-CB 4.02Å; F276-E343 HydrophobicContact CZ-CG 4.42Å; Y339-E343 HydrophobicContact CE1-CB 4.24Å; Y339-E343 PolarHBondContact O-N 3.25Å; Y339-E343 PolarHBondContact OH-OE1 3.39Å; I341-E343 VanDerWaalsContact C-N 3.31Å; I341-E343 PolarHBondContact O-N 2.84Å; E343-F345 VanDerWaalsContact C-N 3.27Å; E343-F345 PolarHBondContact O-N 3.04Å; E343-K346 WeakPolarHBondContact O-CB 3.44Å; E343-K346 PolarHBondContact O-N 3.48Å
344S96.4Very high95.1Very high75 Ų7558.5 Ų58.552%0.52431%0.311SS..Hα-helixtrans-64.1-29.3174.279.30000113.6P340 I341 L342P340-S344 PolarHBondContact O-N 2.86Å; I341-S344 PolarHBondContact O-N 3.45Å; I341-S344 PolarHBondContact O-OG 3.02Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.05Å
345F96.6Very high94.9Very high19 Ų1962.6 Ų62.68%0.08333%0.333CS..THydrogen-bonded Turntrans-95.14.9178.6-64.1-67.5000114.6I278 R279 I282 L283 T286 H287 I341 L342 E343 K347I278-F345 HydrophobicContact CG2-CB 4.02Å; R279-F345 WeakPolarHBondContact CB-O 3.29Å; R279-F345 PolarHBondContact N-O 2.94Å; R279-F345 PolarHBondContact NE-O 2.9Å; I282-F345 HydrophobicContact CB-CD1 4.18Å; I282-F345 HydrophobicContact CB-CE1 4.34Å; I282-F345 HydrophobicContact CG2-CD1 4.07Å; I282-F345 HydrophobicContact CG2-CE1 3.82Å; L283-F345 HydrophobicContact CB-CB 4.49Å; L283-F345 HydrophobicContact CB-CD1 4.43Å; L283-F345 HydrophobicContact CB-CD2 3.98Å; L283-F345 HydrophobicContact CB-CE2 4.35Å; L283-F345 HydrophobicContact CB-CG 4.04Å; L283-F345 HydrophobicContact CD1-CD2 3.61Å; L283-F345 HydrophobicContact CD1-CE2 3.58Å; L283-F345 HydrophobicContact CD1-CZ 4.44Å; L283-F345 HydrophobicContact CG-CD2 4.29Å; T286-F345 HydrophobicContact CG2-CZ 4.03Å; H287-F345 AromaticContact CD2-CE2 3.9Å; H287-F345 AromaticContact NE2-CE2 3.76Å; I341-F345 HydrophobicContact CG2-CD2 4.11Å; I341-F345 HydrophobicContact CG2-CE2 3.81Å; I341-F345 WeakPolarHBondContact O-CD2 3.24Å; I341-F345 PolarHBondContact O-N 2.91Å; L342-F345 CarbonylContact O-C 3.48Å; L342-F345 PolarHBondContact O-N 2.9Å; L342-F345 VanDerWaalsContact O-N 3.1Å; E343-F345 VanDerWaalsContact C-N 3.27Å; E343-F345 PolarHBondContact O-N 3.04Å; F345-K347 PolarHBondContact O-N 3.24Å
346K96.3Very high94.7Very high90 Ų9067.2 Ų67.239%0.39136%0.357SS..BIsolated β-bridgetrans-46.1136.2172179.4167.9178.4176.20111.8F276 P277 R279 L342 E343F276-K346 HydrophobicContact CB-CD 3.93Å; F276-K346 HydrophobicContact CB-CG 4.02Å; F276-K346 HydrophobicContact CD1-CD 4.13Å; F276-K346 HydrophobicContact CD2-CB 3.71Å; F276-K346 HydrophobicContact CD2-CD 3.85Å; F276-K346 HydrophobicContact CD2-CG 3.62Å; F276-K346 HydrophobicContact CE2-CB 3.91Å; F276-K346 HydrophobicContact CE2-CD 4.39Å; F276-K346 HydrophobicContact CE2-CG 4.29Å; F276-K346 HydrophobicContact CG-CB 4.43Å; F276-K346 HydrophobicContact CG-CD 3.71Å; F276-K346 HydrophobicContact CG-CG 3.9Å; P277-K346 WeakPolarHBondContact O-CA 3.45Å; R279-K346 VanDerWaalsContact CZ-O 3.28Å; R279-K346 PolarHBondContact NE-O 3.17Å; R279-K346 VanDerWaalsContact NE-O 3.1Å; R279-K346 PolarHBondContact NH2-O 3.32Å; L342-K346 PolarHBondContact O-N 3.14Å; L342-K346 VanDerWaalsContact O-N 3.16Å; E343-K346 WeakPolarHBondContact O-CB 3.44Å; E343-K346 PolarHBondContact O-N 3.48Å
347K91.3Very high94.6Very high76 Ų7663.3 Ų63.333%0.3334%0.343SS..  trans-75.3128.4168.5-72.8173.2168148.20107.9P277 I278 R279 E281 F345P277-K347 HydrophobicContact CB-CB 4.3Å; P277-K347 HydrophobicContact CB-CD 4.31Å; P277-K347 HydrophobicContact CG-CB 4.09Å; P277-K347 PolarHBondContact O-N 2.88Å; I278-K347 WeakPolarHBondContact O-CE 3.21Å; I278-K347 PolarHBondContact O-NZ 3.21Å; R279-K347 HydrophobicContact CG-CD 4.24Å; R279-K347 HydrophobicContact CG-CG 3.45Å; R279-K347 VanDerWaalsContact CG-CG 3.45Å; E281-K347 IonicContact OE1-NZ 2.74Å; E281-K347 IonicContact OE2-NZ 3.56Å; F345-K347 PolarHBondContact O-N 3.24Å
348V79.7Confident94.5Very high200 Ų20062 Ų62100%1.21234%0.336SS*.  trans-88.20175.3-1770000108.4

Retrieved 348 of 348 residues in 54.2 ms (Link to these results)