A0A077ZLC6_TRITR Loading...

TUDOR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLC6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 472 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
1M35.3Very low29.3Very low236 Ų236164.8 Ų164.8100%1.16383%0.829SS**  0107.20-77.8177.1173.300107.8
2N34.1Very low28.8Very low139 Ų139165.3 Ų165.374%0.74383%0.826SS**  trans50.3101.6151.5-58.710.4000117.8
3E32.2Very low28.8Very low165 Ų165163.3 Ų163.377%0.77183%0.828SS**  77.3108.784.5-79.3179.6176.600112.1
4N35.7Very low28.8Very low171 Ų171157.7 Ų157.791%0.91481%0.811SS**  trans-178.295.1131.1-89.4-38.5000109.5
5V26.1Very low28.8Very low129 Ų129162.3 Ų162.378%0.78281%0.814SS**  trans-85.9131.4165.7174.90000108V7V5-V7 HydrophobicContact CG1-CG2 3.88Å
6K29Very low28.9Very low191 Ų191159.7 Ų159.783%0.8381%0.809SS**  trans-112.9120.6159.3-85.7-174.5176.9179.40109.2
7V27Very low28.8Very low116 Ų116163.5 Ų163.570%0.70381%0.811SS**  trans-93.8132.6174.91770000108.6V5V5-V7 HydrophobicContact CG1-CG2 3.88Å
8F26.4Very low28.8Very low195 Ų195164.8 Ų164.886%0.85581%0.811SS**  trans-128.8137.9156.5-71.3-80.4000109.3
9R22.2Very low28.7Very low219 Ų219167.8 Ų167.883%0.82681%0.813SS**  trans-108.6125.9-170.5-167.9-171.9-154.9-174.96.1108.1V11R9-V11 HydrophobicContact CG-CG2 4.29Å
10V26.8Very low28.8Very low150 Ų150165.6 Ų165.691%0.90981%0.81SS**  trans-131.2139.1156.7179.10000107.9
11V27.4Very low28.8Very low102 Ų102162.3 Ų162.362%0.61880%0.799SS**  trans-105127.6-156.6171.30000109.8R9R9-V11 HydrophobicContact CG-CG2 4.29Å
12E23.2Very low28.5Very low170 Ų170158 Ų15879%0.79478%0.78SS**  trans51.1120.3146.2-160.5171.8-153.500121.1
13V29.2Very low28.3Very low140 Ų140160.2 Ų160.285%0.84878%0.783SS**  -156.2103120-174.50000111.4
14S28.5Very low28.2Very low85 Ų85161.3 Ų161.359%0.59479%0.789SS**  trans49122.6134.4145.80000125
15R29.1Very low28Very low227 Ų227160.2 Ų160.286%0.85778%0.775SS**  trans95.1100.9133-73.2178.2-173.5-167.23.2122.1
16V30Very low28.3Very low120 Ų120162.9 Ų162.973%0.72778%0.779SS**  trans55.1109.3134.6-148.20000116.8
17W27.7Very low28.4Very low224 Ų224165.7 Ų165.785%0.84879%0.785SS**  -159.8132.466.9-88.859000108.5
18K29.3Very low28.9Very low187 Ų187163.4 Ų163.481%0.81379%0.785SS**  trans-117.2110.8167.8-92.3-177.2177177.10109.9
19R26.9Very low29.3Very low223 Ų223161.2 Ų161.284%0.84278%0.782SS**  trans-103.1112.8157.4-103.3-177.7175.2171.6-1.9107.5
20T30.9Very low30.3Very low123 Ų123154.4 Ų154.476%0.75577%0.768SS**  trans-82.2123.1168.4-59.50000107.9L22T20-L22 HydrophobicContact CG2-CG 4.42Å
21V28.2Very low31.1Very low97 Ų97152.5 Ų152.559%0.58876%0.757SS**  trans-106.2109.1172.7-179.60000107.4F23V21-F23 HydrophobicContact CG1-CD2 3.29Å; V21-F23 HydrophobicContact CG1-CE2 3.1Å; V21-F23 HydrophobicContact CG1-CG 4.36Å; V21-F23 HydrophobicContact CG1-CZ 4.05Å
22L29.1Very low31.9Very low145 Ų145150.1 Ų150.176%0.75975%0.748SS**  trans-93.5121.4168.8-80.8160.7000107.2T20T20-L22 HydrophobicContact CG2-CG 4.42Å
23F29.2Very low33Very low186 Ų186147.3 Ų147.382%0.81674%0.735SS**  trans-116.1124.8168.8-84.6-69.4000110.3V21V21-F23 HydrophobicContact CG1-CD2 3.29Å; V21-F23 HydrophobicContact CG1-CE2 3.1Å; V21-F23 HydrophobicContact CG1-CG 4.36Å; V21-F23 HydrophobicContact CG1-CZ 4.05Å
24E29.9Very low33.9Very low188 Ų188143.4 Ų143.488%0.87971%0.709SS**  trans-86134.5177.4-151164.9-158.400108.8E26E24-E26 PolarHBondContact O-N 3.11Å; E24-E26 VanDerWaalsContact O-N 3.12Å
25K32.8Very low35.1Very low147 Ų147144.3 Ų144.364%0.63971%0.707SS**  trans-73.8100.2-174.2-175.5-172.9-172.5173.60110.5L59K25-L59 HydrophobicContact CB-CD2 4.35Å; K25-L59 HydrophobicContact CD-CD2 3.74Å; K25-L59 HydrophobicContact CG-CD2 4.16Å
26E31.7Very low36.4Very low185 Ų185140.9 Ų140.986%0.86470%0.698SS**  trans-71.1132.2159.8-75.3-168.5159.100110.1E24 G28E24-E26 PolarHBondContact O-N 3.11Å; E24-E26 VanDerWaalsContact O-N 3.12Å; E26-G28 PolarHBondContact O-N 2.78Å
27R32.1Very low37.7Very low250 Ų250142.3 Ų142.394%0.94369%0.69SS**THydrogen-bonded Turntrans-66.6116.2-176.7-66.8175179.4173.7-0.2109.2
28G36.3Very low39.4Very low69 Ų69135.8 Ų135.871%0.71167%0.671SS**THydrogen-bonded Turntrans169.3-31.9166.400000117.2E26E26-G28 PolarHBondContact O-N 2.78Å
29N35.8Very low41Very low148 Ų148129.2 Ų129.279%0.79165%0.652SS**  trans-103134.9-165.1-74.4-14.5000115.4
30S42.4Very low42.5Very low76 Ų76124.7 Ų124.753%0.53164%0.635SS.*  trans-47.5144.4178.9162.70000114A32 H33S30-A32 PolarHBondContact O-N 3.28Å; S30-A32 PolarHBondContact OG-N 3.42Å; S30-H33 PolarHBondContact O-N 3.12Å; S30-H33 VanDerWaalsContact O-N 3.12Å
31T43.4Very low43.7Very low110 Ų110122 Ų12268%0.67562%0.616SS**THydrogen-bonded Turntrans-50.9-26174.344.80000113.6H33 I34 D35T31-H33 PolarHBondContact O-N 3.29Å; T31-I34 PolarHBondContact O-N 3.11Å; T31-I34 VanDerWaalsContact O-N 3.14Å; T31-D35 PolarHBondContact O-N 3.4Å
32A43.4Very low45.4Very low52 Ų52120.7 Ų120.743%0.4361%0.608SS.*Hα-helixtrans-62-25.5178.900000114.3S30 K36S30-A32 PolarHBondContact O-N 3.28Å; S30-A32 PolarHBondContact OG-N 3.42Å; A32-K36 PolarHBondContact O-N 3.4Å
33H47.2Very low46.9Very low112 Ų112118 Ų11852%0.51959%0.593SS.*Hα-helixtrans-73.1-34.1177.6-127.7-104.6000111.6S30 T31 W37S30-H33 PolarHBondContact O-N 3.12Å; S30-H33 VanDerWaalsContact O-N 3.12Å; T31-H33 PolarHBondContact O-N 3.29Å; H33-W37 AromaticContact ND1-CD1 3.93Å; H33-W37 AromaticContact ND1-NE1 3.89Å; H33-W37 VanDerWaalsContact O-CD1 3.26Å; H33-W37 PolarHBondContact O-N 2.79Å
34I49Very low48.1Very low58 Ų58111.5 Ų111.530%0.29757%0.566SS.*Hα-helixtrans-69.7-42-179-64.9163.9000110.3T31 K36 W37 I38 M57 L59T31-I34 PolarHBondContact O-N 3.11Å; T31-I34 VanDerWaalsContact O-N 3.14Å; I34-K36 PolarHBondContact O-N 3.49Å; I34-W37 PolarHBondContact O-N 2.91Å; I34-I38 HydrophobicContact CG2-CD1 3.84Å; I34-I38 HydrophobicContact CG2-CG1 4.36Å; I34-I38 WeakPolarHBondContact O-CG1 3.28Å; I34-I38 PolarHBondContact O-N 2.75Å; I34-M57 HydrophobicContact CG2-CE 4.14Å; I34-L59 HydrophobicContact CD1-CD1 3.7Å
35D53.1Low49.4Very low104 Ų104105.7 Ų105.756%0.55655%0.551SS**Hα-helixtrans-63.5-40.4179.9-65.9-27.6000112.2T31 W37 I38 A39T31-D35 PolarHBondContact O-N 3.4Å; D35-W37 VanDerWaalsContact C-N 3.35Å; D35-W37 PolarHBondContact O-N 2.9Å; D35-I38 PolarHBondContact O-N 3.02Å; D35-A39 WeakPolarHBondContact O-CB 3.26Å; D35-A39 PolarHBondContact O-N 3.25Å
36K56.8Low50.6Low154 Ų154106.2 Ų106.267%0.6755%0.553SS**Hα-helixtrans-62.5-40.6174.5-74.6-175.4178.5-177.10112.1A32 I34 A39 Y40A32-K36 PolarHBondContact O-N 3.4Å; I34-K36 PolarHBondContact O-N 3.49Å; K36-A39 PolarHBondContact O-N 3.2Å; K36-Y40 PolarHBondContact O-N 3.25Å
37W57.4Low51.8Low151 Ų151103.7 Ų103.757%0.57254%0.539SS*.Hα-helixtrans-71.1-36.9179-89.297.7000113H33 I34 D35 Y40 L41H33-W37 AromaticContact ND1-CD1 3.93Å; H33-W37 AromaticContact ND1-NE1 3.89Å; H33-W37 VanDerWaalsContact O-CD1 3.26Å; H33-W37 PolarHBondContact O-N 2.79Å; I34-W37 PolarHBondContact O-N 2.91Å; D35-W37 VanDerWaalsContact C-N 3.35Å; D35-W37 PolarHBondContact O-N 2.9Å; W37-Y40 HydrophobicContact CE3-CD1 4.48Å; W37-Y40 HydrophobicContact CZ3-CD1 4.37Å; W37-Y40 PolarHBondContact O-N 3.26Å; W37-L41 PolarHBondContact O-N 2.78Å
38I62.5Low52.7Low86 Ų86100.7 Ų100.744%0.44153%0.533SS..Hα-helixtrans-63.9-45.6172.4-67.9170.9000110I34 D35 Y40 L41 V42I34-I38 HydrophobicContact CG2-CD1 3.84Å; I34-I38 HydrophobicContact CG2-CG1 4.36Å; I34-I38 WeakPolarHBondContact O-CG1 3.28Å; I34-I38 PolarHBondContact O-N 2.75Å; D35-I38 PolarHBondContact O-N 3.02Å; I38-Y40 VanDerWaalsContact C-N 3.31Å; I38-Y40 PolarHBondContact O-N 2.84Å; I38-L41 PolarHBondContact O-N 3.36Å; I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 VanDerWaalsContact O-CG2 3.31Å; I38-V42 WeakPolarHBondContact O-CG2 3.47Å; I38-V42 PolarHBondContact O-N 3.38Å
39A62.2Low53.3Low49 Ų49103 Ų10341%0.40553%0.528SS..Hα-helixtrans-58.5-43.317600000111.7D35 K36 V42 I43D35-A39 WeakPolarHBondContact O-CB 3.26Å; D35-A39 PolarHBondContact O-N 3.25Å; K36-A39 PolarHBondContact O-N 3.2Å; A39-V42 PolarHBondContact O-N 3.29Å; A39-I43 WeakPolarHBondContact O-CD1 3.45Å; A39-I43 WeakPolarHBondContact O-CG1 3.49Å; A39-I43 PolarHBondContact O-N 2.89Å
40Y58.9Low53.7Low128 Ų12898.3 Ų98.350%0.50251%0.505SS..Hα-helixtrans-60.9-47.1176-175-98.1000112.3K36 W37 I38 V42 I43 M44K36-Y40 PolarHBondContact O-N 3.25Å; W37-Y40 HydrophobicContact CE3-CD1 4.48Å; W37-Y40 HydrophobicContact CZ3-CD1 4.37Å; W37-Y40 PolarHBondContact O-N 3.26Å; I38-Y40 VanDerWaalsContact C-N 3.31Å; I38-Y40 PolarHBondContact O-N 2.84Å; Y40-V42 PolarHBondContact O-N 3.19Å; Y40-I43 PolarHBondContact O-N 3.31Å; Y40-M44 HydrophobicContact CD1-CG 4.01Å; Y40-M44 HydrophobicContact CE1-CE 4.5Å; Y40-M44 HydrophobicContact CE1-CG 3.68Å; Y40-M44 HydrophobicContact CE1-SD 4.29Å; Y40-M44 HydrophobicContact CE2-CG 4.47Å; Y40-M44 VanDerWaalsContact O-CG 3.26Å; Y40-M44 WeakPolarHBondContact O-CG 3.49Å; Y40-M44 PolarHBondContact O-N 3.49Å
41L57.4Low53.7Low67 Ų67103.4 Ų103.435%0.35152%0.521SS..Hα-helixtrans-63.7-39.1177.9-78.7166.2000112.5W37 I38 I43 M44 A45 V55W37-L41 PolarHBondContact O-N 2.78Å; I38-L41 PolarHBondContact O-N 3.36Å; L41-I43 VanDerWaalsContact C-N 3.35Å; L41-M44 PolarHBondContact O-N 3.32Å; L41-A45 WeakPolarHBondContact O-CB 3.33Å; L41-A45 PolarHBondContact O-N 3.03Å; L41-V55 HydrophobicContact CD1-CG1 4.35Å; L41-V55 HydrophobicContact CD1-CG2 4.23Å; L41-V55 HydrophobicContact CD2-CG2 4.28Å
42V62.3Low53.8Low69 Ų69102.7 Ų102.742%0.41852%0.52SS..Hα-helixtrans-64.2-40.1174.7171.60000111.1I38 A39 Y40 K46I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 VanDerWaalsContact O-CG2 3.31Å; I38-V42 WeakPolarHBondContact O-CG2 3.47Å; I38-V42 PolarHBondContact O-N 3.38Å; A39-V42 PolarHBondContact O-N 3.29Å; Y40-V42 PolarHBondContact O-N 3.19Å; V42-K46 HydrophobicContact CG1-CD 4.21Å; V42-K46 WeakPolarHBondContact O-CB 3.49Å; V42-K46 WeakPolarHBondContact O-CG 3.36Å; V42-K46 PolarHBondContact O-N 3.19Å
43I61.3Low53.6Low88 Ų88106.6 Ų106.645%0.45153%0.529SS..Hα-helixtrans-64.1-44.9175.2-69.3163.4000110.6A39 Y40 L41 K46 K47A39-I43 WeakPolarHBondContact O-CD1 3.45Å; A39-I43 WeakPolarHBondContact O-CG1 3.49Å; A39-I43 PolarHBondContact O-N 2.89Å; Y40-I43 PolarHBondContact O-N 3.31Å; L41-I43 VanDerWaalsContact C-N 3.35Å; I43-K46 PolarHBondContact O-N 3.11Å; I43-K47 HydrophobicContact CG2-CD 4.42Å; I43-K47 WeakPolarHBondContact O-CG 3.4Å; I43-K47 PolarHBondContact O-N 3.37Å; I43-K47 VanDerWaalsContact O-N 3.09Å
44M53.4Low53.2Low50 Ų50105.7 Ų105.725%0.24653%0.531CS..Hα-helixtrans-64.2-40.6179.2-68.6-67.8-81.500112Y40 L41 K47 V50Y40-M44 HydrophobicContact CD1-CG 4.01Å; Y40-M44 HydrophobicContact CE1-CE 4.5Å; Y40-M44 HydrophobicContact CE1-CG 3.68Å; Y40-M44 HydrophobicContact CE1-SD 4.29Å; Y40-M44 HydrophobicContact CE2-CG 4.47Å; Y40-M44 VanDerWaalsContact O-CG 3.26Å; Y40-M44 WeakPolarHBondContact O-CG 3.49Å; Y40-M44 PolarHBondContact O-N 3.49Å; L41-M44 PolarHBondContact O-N 3.32Å; M44-K47 PolarHBondContact O-N 3.46Å; M44-V50 HydrophobicContact CB-CG2 4.22Å; M44-V50 HydrophobicContact CE-CG2 4.35Å
45A57.8Low52.7Low67 Ų67105.4 Ų105.455%0.55453%0.532SS*.Hα-helixtrans-65.6-42.5174.700000112.1L41 K47 K48L41-A45 WeakPolarHBondContact O-CB 3.33Å; L41-A45 PolarHBondContact O-N 3.03Å; A45-K47 VanDerWaalsContact C-N 3.29Å; A45-K47 PolarHBondContact O-N 3.12Å; A45-K48 PolarHBondContact O-N 3.22Å
46K58.5Low51.9Low158 Ų158103.2 Ų103.269%0.68752%0.523SS*.Hα-helixtrans-64.9-29.1177.8-79.2-178176.7-176.20113.5V42 I43 K48V42-K46 HydrophobicContact CG1-CD 4.21Å; V42-K46 WeakPolarHBondContact O-CB 3.49Å; V42-K46 WeakPolarHBondContact O-CG 3.36Å; V42-K46 PolarHBondContact O-N 3.19Å; I43-K46 PolarHBondContact O-N 3.11Å; K46-K48 VanDerWaalsContact C-N 3.26Å; K46-K48 PolarHBondContact O-N 3.03Å
47K57Low50.8Low131 Ų13199.6 Ų99.657%0.5751%0.509SS*.THydrogen-bonded Turntrans-80.24.5179-74.2-172.3174.4-170.10114.5I43 M44 A45 L49I43-K47 HydrophobicContact CG2-CD 4.42Å; I43-K47 WeakPolarHBondContact O-CG 3.4Å; I43-K47 PolarHBondContact O-N 3.37Å; I43-K47 VanDerWaalsContact O-N 3.09Å; M44-K47 PolarHBondContact O-N 3.46Å; A45-K47 VanDerWaalsContact C-N 3.29Å; A45-K47 PolarHBondContact O-N 3.12Å; K47-L49 HydrophobicContact CB-CB 4.36Å; K47-L49 HydrophobicContact CB-CD1 3.67Å; K47-L49 HydrophobicContact CB-CG 3.93Å; K47-L49 HydrophobicContact CD-CD1 3.86Å; K47-L49 HydrophobicContact CG-CD1 4.42Å; K47-L49 PolarHBondContact O-N 3.34Å
48K50.8Low49.7Very low187 Ų18796.4 Ų96.481%0.81351%0.509SS*.THydrogen-bonded Turntrans51.718.7-170.8-70.6-172.2174.8-174.20113.8A45 K46 V50A45-K48 PolarHBondContact O-N 3.22Å; K46-K48 VanDerWaalsContact C-N 3.26Å; K46-K48 PolarHBondContact O-N 3.03Å; K48-V50 PolarHBondContact O-N 3.12Å
49L48.5Very low48.4Very low118 Ų11894.7 Ų94.762%0.61850%0.501SS*.  trans-80.5-6-179-77.1166.9000112.3K47K47-L49 HydrophobicContact CB-CB 4.36Å; K47-L49 HydrophobicContact CB-CD1 3.67Å; K47-L49 HydrophobicContact CB-CG 3.93Å; K47-L49 HydrophobicContact CD-CD1 3.86Å; K47-L49 HydrophobicContact CG-CD1 4.42Å; K47-L49 PolarHBondContact O-N 3.34Å
50V44.9Very low46.9Very low50 Ų5096 Ų9630%0.30352%0.519SS..  trans-136.7103.9177.9-171.80000108.6M44 K48 Q53M44-V50 HydrophobicContact CB-CG2 4.22Å; M44-V50 HydrophobicContact CE-CG2 4.35Å; K48-V50 PolarHBondContact O-N 3.12Å; V50-Q53 HydrophobicContact CG1-CB 4.09Å; V50-Q53 HydrophobicContact CG1-CG 3.63Å
51E42.3Very low45.8Very low183 Ų183100.4 Ų100.486%0.85554%0.541SS*.SBendtrans-82.3111166.2-77.7178.4163.300108.8
52S44.2Very low44.5Very low94 Ų94103.1 Ų103.166%0.65756%0.555SS**  trans6095.2174.984.80000116.2
53Q39.5Very low43.1Very low135 Ų135105.9 Ų105.963%0.63156%0.564SS**  trans-129.3122.4156.5-74.5-168.86.600110.3V50 V55V50-Q53 HydrophobicContact CG1-CB 4.09Å; V50-Q53 HydrophobicContact CG1-CG 3.63Å; Q53-V55 PolarHBondContact O-N 3.35Å
54T40.2Very low41.6Very low92 Ų92105.3 Ų105.356%0.56456%0.564SS**  trans-81.3101.4167.4-43.80000107.9
55V37.6Very low40.5Very low52 Ų52110.8 Ų110.832%0.31558%0.582SS.*  trans-83.7113.9170.8-177.20000107.9L41 Q53L41-V55 HydrophobicContact CD1-CG1 4.35Å; L41-V55 HydrophobicContact CD1-CG2 4.23Å; L41-V55 HydrophobicContact CD2-CG2 4.28Å; Q53-V55 PolarHBondContact O-N 3.35Å
56T37.1Very low39.5Very low59 Ų59110.8 Ų110.836%0.36258%0.575SS.*  trans-107.6104.7170.4-52.60000107.9Q63T56-Q63 HydrophobicContact CG2-CG 4.49Å
57M33.5Very low38.2Very low77 Ų77109.4 Ų109.438%0.37957%0.574SS.*EExtended strand (participates in β ladder)trans-94.1118.3167.9-90.5175.456.800109.3I34 L59I34-M57 HydrophobicContact CG2-CE 4.14Å; M57-L59 HydrophobicContact CE-CD1 3.31Å; M57-L59 HydrophobicContact CE-CG 3.82Å; M57-L59 PolarHBondContact O-N 3.44Å
58C33.3Very low37.1Very low85 Ų85112.3 Ų112.357%0.57459%0.59SS**EExtended strand (participates in β ladder)trans-92.786.3166.8-71.90000108.6
59L35.1Very low36.3Very low49 Ų49106.2 Ų106.226%0.25758%0.58SS.*EExtended strand (participates in β ladder)trans-97.4126.9161-69.5173.3000106.4K25 I34 M57 K61 L62K25-L59 HydrophobicContact CB-CD2 4.35Å; K25-L59 HydrophobicContact CD-CD2 3.74Å; K25-L59 HydrophobicContact CG-CD2 4.16Å; I34-L59 HydrophobicContact CD1-CD1 3.7Å; M57-L59 HydrophobicContact CE-CD1 3.31Å; M57-L59 HydrophobicContact CE-CG 3.82Å; M57-L59 PolarHBondContact O-N 3.44Å; L59-K61 PolarHBondContact O-N 3.44Å; L59-L62 PolarHBondContact O-N 3.19Å; L59-L62 VanDerWaalsContact O-O 3.13Å
60G31.3Very low35.4Very low77 Ų77108.3 Ų108.379%0.79459%0.592SS**THydrogen-bonded Turntrans-29.2121.8-174.400000115L62G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 2.93Å
61K35.9Very low34.7Very low220 Ų220111.3 Ų111.396%0.95761%0.606SS**THydrogen-bonded Turntrans66.6-4.9-175.9-63.4-173.4179.7178.30118.6L59L59-K61 PolarHBondContact O-N 3.44Å
62L30.7Very low34.2Very low124 Ų124107.3 Ų107.365%0.64960%0.597SS**EExtended strand (participates in β ladder)trans-111.6128.2171.9-105.189.9000111.8L59 G60L59-L62 PolarHBondContact O-N 3.19Å; L59-L62 VanDerWaalsContact O-O 3.13Å; G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 2.93Å
63Q31.7Very low33.5Very low128 Ų128107.8 Ų107.860%0.59860%0.6SS**EExtended strand (participates in β ladder)trans-121.6104.7171.7-156.417810.800107.6T56T56-Q63 HydrophobicContact CG2-CG 4.49Å
64V30.9Very low33.1Very low76 Ų76105.5 Ų105.546%0.46160%0.599SS.*EExtended strand (participates in β ladder)trans-93.2120.6174.6-177.50000107.9
65R30.7Very low32.6Very low165 Ų165108.7 Ų108.762%0.62361%0.611SS**  trans-110.6118168.2-74.4-171.7-169.9-170.83.8108.4
66V35Very low32.1Very low67 Ų67115.8 Ų115.841%0.40663%0.634SS.*  trans-83.9109165.9-179.80000107.3L71V66-L71 HydrophobicContact CB-CD1 3.98Å; V66-L71 HydrophobicContact CG1-CD1 3.57Å; V66-L71 HydrophobicContact CG2-CD1 3.7Å
67L32.8Very low31.8Very low128 Ų128119.3 Ų119.367%0.6765%0.65SS**  trans-101.8144.1168.3-68.3171.9000107.8G69L67-G69 PolarHBondContact O-N 3.48Å
68E32.7Very low31.5Very low192 Ų192123.2 Ų123.290%0.89767%0.673SS**SBendtrans-54.5126171.9-77.8172.6143.500110.1
69G34.1Very low31.5Very low60 Ų60123.9 Ų123.962%0.61968%0.678SS**SBendtrans108.8105-17500000112.1L67L67-G69 PolarHBondContact O-N 3.48Å
70D30.7Very low31.3Very low161 Ų161126.5 Ų126.586%0.86171%0.707SS**  trans48.888.3158.9-51.7-23.6000117.6C72D70-C72 PolarHBondContact O-N 3.24Å; D70-C72 VanDerWaalsContact O-N 3.15Å
71L29.5Very low31.1Very low114 Ų114131 Ų13160%0.59771%0.712SS**  trans-83.789164.3-99.1155.8000111.2V66V66-L71 HydrophobicContact CB-CD1 3.98Å; V66-L71 HydrophobicContact CG1-CD1 3.57Å; V66-L71 HydrophobicContact CG2-CD1 3.7Å
72C31.3Very low31.1Very low98 Ų98127.7 Ų127.766%0.66271%0.71SS**  trans-73.1107.8151.7-171.60000108.3D70 S74D70-C72 PolarHBondContact O-N 3.24Å; D70-C72 VanDerWaalsContact O-N 3.15Å; C72-S74 PolarHBondContact O-N 3.44Å
73S30.8Very low31.1Very low104 Ų104125.1 Ų125.173%0.72771%0.714SS**  trans-86.896.8172.257.40000110.3
74S30Very low31.2Very low87 Ų87125.1 Ų125.161%0.60873%0.728SS**  trans-90.4111.9156.4660000108.8C72C72-S74 PolarHBondContact O-N 3.44Å
75I29.2Very low31.4Very low160 Ų160130.5 Ų130.582%0.82175%0.745SS**  trans-86111168.6-63.4174.3000107
76Y28.9Very low31.6Very low201 Ų201134.6 Ų134.679%0.78876%0.76SS**  trans-94113.9163.8-86.6-85.8000108.3
77D30Very low31.5Very low133 Ų133134.8 Ų134.871%0.71178%0.775SS**  trans-88.8116.7169.5-151.6-13.3000108.8S79D77-S79 PolarHBondContact OD1-OG 3.37Å
78N28.1Very low31.7Very low158 Ų158140.7 Ų140.785%0.84579%0.789SS**  trans-120.889.9173.5-98.1-36.3000107.5
79S31.9Very low31.9Very low99 Ų99139.2 Ų139.269%0.69279%0.787SS**  trans-148.781.9170.158.40000112.3D77D77-S79 PolarHBondContact OD1-OG 3.37Å
80A31.1Very low31.9Very low105 Ų105141.9 Ų141.987%0.86879%0.794SS**  trans-140.587.2157.200000109.4
81L28Very low32.4Very low172 Ų172142.1 Ų142.190%0.90179%0.793SS**  trans-134.184.6167.6-110.6169.9000107.5
82V34.6Very low32.9Very low149 Ų149141 Ų14190%0.90380%0.795SS**  trans-143.9115.2153.8-177.70000109.3
83G30.6Very low33.3Very low71 Ų71142.8 Ų142.873%0.73280%0.803SS**  trans3.8132166.100000122
84S34.2Very low33.7Very low127 Ų127143.7 Ų143.789%0.88881%0.806SS**  -163.6159.4105.3-145.10000112.2
85K35.2Very low34.2Very low190 Ų190144.7 Ų144.783%0.82681%0.813SS**  trans-76.4165.8-159.6-66.4169.3173.3173.80115.2
86R34.8Very low34.7Very low251 Ų251146.9 Ų146.995%0.94782%0.817SS**  trans90118.6164.3-52.4177.6-175-165.21.6112.7
87G33.3Very low35.4Very low70 Ų70142.6 Ų142.672%0.72282%0.816SS**  cis122.498.816.700000108.9
88R38.1Very low36Very low252 Ų252142.1 Ų142.195%0.95182%0.823SS**  trans170.2146.2137.8-93.4175-162.5-166.45.9111.2
89N36.3Very low36.7Very low161 Ų161141 Ų14186%0.86182%0.824SS**  trans-74.9165.1-157.9-75.7-27.4000116.9
90P34Very low37Very low117 Ų117140.3 Ų140.376%0.7683%0.833SS**  trans-98.9160176.139.2-31.9000113.5
91I40.3Very low37.4Very low166 Ų166138.3 Ų138.385%0.85182%0.823SS**  trans-151.5141.3169.3-64.9-179.3000105.1
92S39.9Very low38Very low91 Ų91136.2 Ų136.264%0.63682%0.817SS**  cis-177137.7-19.461.50000106.2
93V40.7Very low38.3Very low135 Ų135138.1 Ų138.182%0.81881%0.813SS**  trans56.1133.3149.2-112.60000123.7
94P38.2Very low38.8Very low122 Ų122144.8 Ų144.879%0.79282%0.822SS**  trans-110.3161.2163.339.2-28.7000113.7
95S41.4Very low38.8Very low108 Ų108150 Ų15076%0.75582%0.822SS**  trans-164.4114.6162.156.80000110.8
96K40.2Very low39.2Very low207 Ų207146 Ų14690%0.982%0.815SS**  78.7123.391.2-77.2-174.6178.1-1800115.5
97S41.9Very low39.4Very low111 Ų111139 Ų13978%0.77681%0.805SS**  trans141.694.2136.466.30000110.1
98S42.7Very low39.8Very low123 Ų123140.4 Ų140.486%0.8680%0.804SS**  78.7140.185.3-73.60000115.6
99P43.2Very low39.9Very low134 Ų134135.2 Ų135.287%0.8780%0.795SS**  trans-116.1167.5-161.139.3-23.9000114.9
100G38.1Very low39.9Very low84 Ų84134.5 Ų134.587%0.86679%0.79SS**  trans176.7145.8165.300000108.4
101G40Very low40.3Very low64 Ų64136.9 Ų136.966%0.6680%0.797SS**  cis174.3148.7-0.200000107.6
102T41.2Very low40.1Very low127 Ų127137.7 Ų137.778%0.77980%0.797SS**  trans74.9116.2150.558.70000123.3
103K39.6Very low40.1Very low190 Ų190137 Ų13783%0.82680%0.804SS**  67.4115.8123.7-65.1177.7177.9175.80119.8
104K42.5Very low40Very low211 Ų211136.8 Ų136.892%0.91780%0.803SS**  174.8132.4103.3-94.1174.1-179.8178.70112
105R34.4Very low40.1Very low237 Ų237137.7 Ų137.789%0.89480%0.797SS**  trans-89-179.5163-105.6-173165.9-162.6-2108.5
106P43.2Very low40Very low104 Ų104139.7 Ų139.768%0.67579%0.792SS**  -134.7-166.3-53.237.8-18.4000111.3
107S39.2Very low39.9Very low105 Ų105135.7 Ų135.773%0.73479%0.785SS**  trans102.3128.314870.90000121.6
108S41.1Very low39.8Very low99 Ų99134.9 Ų134.969%0.69278%0.78SS**  trans102.5136.4140.977.50000120.6
109N39.4Very low39.9Very low144 Ų144138.3 Ų138.377%0.7778%0.779SS**  trans82.5105.9155.2-55.9-18.6000117.6
110L36.8Very low39.6Very low145 Ų145142.5 Ų142.576%0.75978%0.778SS**  65.9104.174.3-162.880000111.6
111N42Very low39.8Very low168 Ų168144.6 Ų144.690%0.89877%0.768SS**  trans-154.6132.7144.7-109.4-12.7000111.9
112Q37.6Very low39.8Very low182 Ų182149.2 Ų149.285%0.8577%0.77SS**  trans-76.7148.7178.1-66.2170.6-5.300110.4
113G38.9Very low39.8Very low77 Ų77154 Ų15479%0.79477%0.774SS**  trans-151.6103.2170.200000110.1
114T38.2Very low39.8Very low130 Ų130156.3 Ų156.380%0.79878%0.777SS**  trans-57.3147.3169.248.50000111.1
115E40.5Very low39.6Very low141 Ų141153.9 Ų153.966%0.65977%0.774SS**  177.814577.5-89.5-161.5144.600112.5
116K39.3Very low39.5Very low150 Ų150146.9 Ų146.965%0.65277%0.767SS**  trans79.5106.1133.7-71.7172.6-172.6152.80124.1
117T38.9Very low39.3Very low124 Ų124153.3 Ų153.376%0.76178%0.778SS**  69.2115.3122.157.10000122.4
118S40.2Very low39.2Very low94 Ų94157.2 Ų157.266%0.65778%0.782SS**  171.3130.695.5-108.90000113.9
119K44Very low38.9Very low195 Ų195158 Ų15885%0.84879%0.786SS**  trans54.9132.5135.6-55.9174.4-176.2174.60117.7
120R36.6Very low38.7Very low222 Ų222158.2 Ų158.284%0.83879%0.786SS**  cis-179.2135.942.8-170.1165.5-179.9-177.4-0.3109.9
121L41.4Very low38.6Very low127 Ų127159 Ų15967%0.66579%0.791SS**  trans27.7144.7143.9-79.558.5000120.1
122K41.4Very low38.1Very low162 Ų162159.1 Ų159.170%0.70479%0.786SS**  cis-175.4137.228.8-122.9162.2-173.5174.90109.5
123R40.1Very low38.1Very low227 Ų227156.6 Ų156.686%0.85779%0.789SS**  trans39.2135.2131.1-61.9-180163.6173.9-5.6118.4
124R40.9Very low37.9Very low238 Ų238158.1 Ų158.190%0.89879%0.787SS**  -171.6161.656.5-147.7168.3165.5160.8-4.7113
125N36.7Very low37.9Very low160 Ų160157.9 Ų157.986%0.85679%0.791SS**  trans-72159.9-159.3-72.7-29.6000119.9
126A34.1Very low37.5Very low90 Ų90153.9 Ų153.974%0.74479%0.788SS**  trans-66.5162.7162.200000116.4
127R37.8Very low37.3Very low240 Ų240157.4 Ų157.491%0.90680%0.799SS**  trans173.2118.2132.8-92.4167.2-174.2-1611.6107.4
128K37.7Very low36.9Very low187 Ų187159.3 Ų159.381%0.81380%0.799SS**  93.6140.559.4-155.3177.6-167-175.70112.4
129C35.2Very low36.8Very low114 Ų114159.1 Ų159.177%0.7780%0.798SS**  trans106.3100170.8-55.60000113.5
130L34.5Very low36.4Very low149 Ų149158.6 Ų158.678%0.7880%0.798SS**  55.4109.169.8-78.1163.5000114.5
131N34.7Very low36.3Very low162 Ų162159.2 Ų159.287%0.86680%0.8SS**  -171.6138.3110.8-103.43.7000112.9
132E32.2Very low35.9Very low171 Ų171158.3 Ų158.380%0.79980%0.804SS**  trans-72157169.7-61.4166.4143.600111.4
133S37.7Very low35.8Very low128 Ų128156.2 Ų156.290%0.89581%0.811SS**  174.6145.5124.7-73.10000112.1
134S33.8Very low35.5Very low110 Ų110153 Ų15377%0.76981%0.81SS**  trans-85.3-177.7-164.3630000116.9
135S38.5Very low35.7Very low124 Ų124147.4 Ų147.487%0.86780%0.804SS**  trans97134.1164.177.30000114.1
136G32.1Very low35.8Very low58 Ų58145.4 Ų145.460%0.59880%0.8SS**  cis148.9139.26.300000107.8
137Y34.6Very low35.6Very low224 Ų224147.6 Ų147.688%0.87881%0.805SS**  trans61.4148.8162.5103.4-89.8000118.2
138E31.7Very low35.6Very low163 Ų163141.5 Ų141.576%0.76280%0.799SS**  cis-173.6164.1-14.6-165.9168.6166.600107.8
139S36.7Very low35.3Very low91 Ų91139.6 Ų139.664%0.63680%0.798SS**  trans91.7100.4153.1-730000123
140Q35.9Very low35.5Very low183 Ų183142.4 Ų142.486%0.85580%0.799SS**  58.3120.4119.1-65.7-167.8-2400123.2
141R34.2Very low35.3Very low236 Ų236141 Ų14189%0.89180%0.802SS**  170.7108.1122.7-96.2177.3179.5-151.9-0.1109.3
142S34Very low35.7Very low107 Ų107139.7 Ų139.775%0.74880%0.799SS**  72.8106.288.585.10000116.4
143S38.8Very low35.8Very low119 Ų119138.7 Ų138.783%0.83280%0.799SS**  174.7109.5127.454.10000112
144N33.3Very low35.5Very low160 Ų160140.5 Ų140.586%0.85680%0.799SS**  trans-83.7-171153.1-64.1-28.6000108.6
145P45.5Very low35.5Very low119 Ų119140.2 Ų140.277%0.77380%0.797SS**  cis-137.1-153.3-339.7-15.3000110.6
146P38.8Very low35.1Very low118 Ų118144.3 Ų144.377%0.76680%0.8SS**  cis-137.61734.439.6-17000119.3
147T31.1Very low35.3Very low136 Ų136147 Ų14783%0.83481%0.805SS**  trans-62.8151.5-177.848.10000116.8
148S37.1Very low35.2Very low113 Ų113144.7 Ų144.779%0.7980%0.802SS**  trans-136.2108.3150.5610000110
149D31.6Very low35.1Very low146 Ų146143.7 Ų143.778%0.78180%0.802SS**  trans-59.3135.6165.5-96.5-40.4000110.5
150H38.8Very low34.9Very low174 Ų174151.3 Ų151.381%0.80682%0.816SS**  trans-154.4102.1146.1-80.5-52.8000110
151S31.4Very low34.9Very low119 Ų119147.4 Ų147.483%0.83281%0.81SS**  trans-67.2135.6153.549.90000108.8
152V42.5Very low34.7Very low135 Ų135142.5 Ų142.582%0.81881%0.806SS**  trans-133.4122.1167.5-166.40000109.6
153D33.8Very low34.9Very low149 Ų149143.8 Ų143.880%0.79781%0.805SS**  trans-54.8150.3173.8-97-49.9000114S155D153-S155 PolarHBondContact O-N 2.98Å
154D32.2Very low34.9Very low166 Ų166146.5 Ų146.589%0.88880%0.801SS**SBendtrans-57.3106.9158.5-86.2-42.5000109.9
155S32.7Very low34.7Very low105 Ų105147.5 Ų147.573%0.73481%0.806SS**  trans171.4107.5144.843.20000110D153D153-S155 PolarHBondContact O-N 2.98Å
156F31.4Very low34.2Very low209 Ų209146.3 Ų146.392%0.91780%0.8SS**  trans-145.4125152.7-164.4-110.4000111.9
157V36.1Very low34.1Very low116 Ų116148.5 Ų148.570%0.70381%0.805SS**  trans-79150.9-171.5166.50000110.9
158E31.2Very low34.1Very low175 Ų175152.9 Ų152.982%0.81881%0.807SS**  trans-48.6133.7172.2-62.2-178.7142.500113.8
159N29.9Very low34.3Very low142 Ų142153.1 Ų153.176%0.75981%0.808SS**  trans-176.2102.5130.3-103.7-18.5000110.7
160W31.8Very low34.3Very low250 Ų250151.5 Ų151.595%0.94780%0.804SS**  trans-115.496.8153.5-88.6-27000109.7
161S37.7Very low34.4Very low102 Ų102152.9 Ų152.971%0.71381%0.811SS**  trans-58.2129.8166.4-64.70000110.6
162T28.6Very low34.5Very low132 Ų132157.3 Ų157.381%0.8182%0.815SS**  trans-51.4126.4161.244.90000111.1
163D38.1Very low34.2Very low135 Ų135154.2 Ų154.272%0.72281%0.811SS**  trans-146.1115.7156.3-108.2-23.1000112.3
164K38.6Very low34.2Very low175 Ų175156.6 Ų156.676%0.76182%0.817SS**  trans81.179.9142-58.8-177.8-173.5178.30119.4S166K164-S166 PolarHBondContact O-N 3.45Å
165L30.4Very low34.1Very low182 Ų182154.8 Ų154.895%0.95381%0.812SS**  trans-59111.6134.3-82.8149000110.6
166S35Very low34.5Very low93 Ų93159.4 Ų159.465%0.6582%0.819SS**  trans-178.4105.2140.560.60000110.7K164K164-S166 PolarHBondContact O-N 3.45Å
167N36.2Very low35.2Very low165 Ų165153.5 Ų153.588%0.88280%0.803SS**  -175.8126112.5-93-15.6000111.5
168R31.2Very low35.8Very low227 Ų227150.8 Ų150.886%0.85779%0.79SS**  trans-97.6121.4-179.8178.7-175.7-169.1-147.34.3107.2
169S40.2Very low36.4Very low118 Ų118150.5 Ų150.583%0.82579%0.786SS**  trans-136.2106.3157-57.90000108.1
170T31.8Very low37.2Very low113 Ų113151 Ų15169%0.69378%0.784SS**  trans-42.8134.1167.626.50000114.2
171E41.2Very low37.7Very low202 Ų202145.3 Ų145.394%0.94477%0.768SS**  trans-147.6138.9136.8-112.2170.9-156.200111
172K33.8Very low38.1Very low212 Ų212145.9 Ų145.992%0.92276%0.762SS**  trans-79.6135-165.6-71.8167.9171.8173.90110.9
173G35.5Very low38.9Very low71 Ų71143.4 Ų143.473%0.73275%0.747SS**  trans-160.288.3169.900000111.8
174E35Very low39.4Very low199 Ų199139.1 Ų139.193%0.9373%0.73SS**  trans41.2103.7150.2-59.9-176.3153.100120.3
175T29.5Very low39.9Very low127 Ų127134.1 Ų134.178%0.77971%0.714SS**  trans-98.7106.2173.4-5.60000110.3
176K41.7Very low40.5Very low202 Ų202129.5 Ų129.588%0.87869%0.694SS**  trans-138.6-8.1161.4-93.6-175.2180176.30115.3
177S45.3Very low41Very low85 Ų85131.9 Ų131.959%0.59469%0.694SS**SBendtrans-95.3-18.8-173.7-163.30000115.6K179S177-K179 PolarHBondContact O-N 2.91Å
178S49.5Very low41.6Very low60 Ų60129.9 Ų129.942%0.4268%0.682SS.*Hα-helixtrans-74.9-23.5-169.654.50000114.3L182S178-L182 VanDerWaalsContact O-CB 3.29Å; S178-L182 WeakPolarHBondContact O-CB 3.21Å; S178-L182 WeakPolarHBondContact O-CD1 3.44Å; S178-L182 PolarHBondContact O-N 3.41Å
179K44.3Very low42.4Very low168 Ų168122.6 Ų122.673%0.7366%0.663SS**Hα-helixtrans-80.9-32.9-174.3-148.5175.8-175.7-1790112.6S177 V183S177-K179 PolarHBondContact O-N 2.91Å; K179-V183 WeakPolarHBondContact O-CB 3.37Å; K179-V183 WeakPolarHBondContact O-CG2 3.38Å; K179-V183 PolarHBondContact O-N 3.35Å
180E45.7Very low42.8Very low154 Ų154125.1 Ų125.172%0.7266%0.662SS**Hα-helixtrans-76.8-34.8174.8-73.9174165.400111.5V183 A184E180-V183 PolarHBondContact O-N 3.47Å; E180-A184 WeakPolarHBondContact O-CB 3.39Å; E180-A184 PolarHBondContact O-N 3.48Å
181E43.5Very low43.5Very low129 Ų129127.9 Ų127.960%0.60367%0.667SS**Hα-helixtrans-68.6-42.6174.6-166.2172.7-170.200111.9V183 A184 V185E181-V183 PolarHBondContact O-N 2.96Å; E181-A184 PolarHBondContact O-N 3.14Å; E181-V185 WeakPolarHBondContact O-CB 3.29Å; E181-V185 WeakPolarHBondContact O-CG2 3.26Å; E181-V185 PolarHBondContact O-N 3.49Å
182L45.7Very low44Very low115 Ų115120.8 Ų120.860%0.60264%0.642SS**Hα-helixtrans-65.3-36173.6-92.7149.3000112.9S178 T186S178-L182 VanDerWaalsContact O-CB 3.29Å; S178-L182 WeakPolarHBondContact O-CB 3.21Å; S178-L182 WeakPolarHBondContact O-CD1 3.44Å; S178-L182 PolarHBondContact O-N 3.41Å; L182-T186 WeakPolarHBondContact O-CB 3.43Å; L182-T186 PolarHBondContact O-N 2.89Å; L182-T186 PolarHBondContact O-OG1 2.87Å
183V45.3Very low45.2Very low80 Ų80117.8 Ų117.849%0.48564%0.635SS.*Hα-helixtrans-71.8-42.7177.1172.30000110.7K179 E180 E181 V185 T186 E187K179-V183 WeakPolarHBondContact O-CB 3.37Å; K179-V183 WeakPolarHBondContact O-CG2 3.38Å; K179-V183 PolarHBondContact O-N 3.35Å; E180-V183 PolarHBondContact O-N 3.47Å; E181-V183 PolarHBondContact O-N 2.96Å; V183-V185 PolarHBondContact O-N 2.99Å; V183-T186 WeakPolarHBondContact CA-OG1 3.44Å; V183-T186 PolarHBondContact O-N 3.48Å; V183-T186 PolarHBondContact O-OG1 2.96Å; V183-T186 VanDerWaalsContact O-OG1 3.13Å; V183-E187 WeakPolarHBondContact O-CB 3.21Å; V183-E187 PolarHBondContact O-N 3.26Å
184A47.8Very low46.9Very low45 Ų45117 Ų11737%0.37261%0.614SS.*Hα-helixtrans-62.1-43.2173.700000111.7E180 E181 T186 E187 I188E180-A184 WeakPolarHBondContact O-CB 3.39Å; E180-A184 PolarHBondContact O-N 3.48Å; E181-A184 PolarHBondContact O-N 3.14Å; A184-T186 PolarHBondContact O-N 3.37Å; A184-E187 PolarHBondContact O-N 3.3Å; A184-I188 WeakPolarHBondContact O-CB 3.33Å; A184-I188 WeakPolarHBondContact O-CD1 3.5Å; A184-I188 WeakPolarHBondContact O-CG1 3.4Å; A184-I188 PolarHBondContact O-N 3.39Å
185V48.5Very low49.2Very low70 Ų70109.2 Ų109.242%0.42458%0.583SS.*Hα-helixtrans-65.9-37.8177.2173.20000111.5E181 V183 V189E181-V185 WeakPolarHBondContact O-CB 3.29Å; E181-V185 WeakPolarHBondContact O-CG2 3.26Å; E181-V185 PolarHBondContact O-N 3.49Å; V183-V185 PolarHBondContact O-N 2.99Å; V185-V189 WeakPolarHBondContact O-CB 3.48Å; V185-V189 WeakPolarHBondContact O-CG2 3.31Å; V185-V189 PolarHBondContact O-N 2.9Å
186T44.3Very low52.1Low85 Ų85108.2 Ų108.252%0.52158%0.579SS.*Hα-helixtrans-72.6-33.7176.737.90000113.1L182 V183 A184 V189 E190L182-T186 WeakPolarHBondContact O-CB 3.43Å; L182-T186 PolarHBondContact O-N 2.89Å; L182-T186 PolarHBondContact O-OG1 2.87Å; V183-T186 WeakPolarHBondContact CA-OG1 3.44Å; V183-T186 PolarHBondContact O-N 3.48Å; V183-T186 PolarHBondContact O-OG1 2.96Å; V183-T186 VanDerWaalsContact O-OG1 3.13Å; A184-T186 PolarHBondContact O-N 3.37Å; T186-V189 PolarHBondContact O-N 3.34Å; T186-E190 PolarHBondContact O-N 2.91Å
187E46Very low54.6Low143 Ų14399.5 Ų99.567%0.66854%0.541SS*.Hα-helixtrans-74.8-30.5177.1-142.1169.5-16200112.4V183 A184 V189V183-E187 WeakPolarHBondContact O-CB 3.21Å; V183-E187 PolarHBondContact O-N 3.26Å; A184-E187 PolarHBondContact O-N 3.3Å; E187-V189 VanDerWaalsContact C-N 3.33Å
188I48.7Very low56.9Low122 Ų122100 Ų10063%0.62653%0.529SS*.Hα-helixtrans-69.9-30.6172.4-66.3161.2000111.5A184A184-I188 WeakPolarHBondContact O-CB 3.33Å; A184-I188 WeakPolarHBondContact O-CD1 3.5Å; A184-I188 WeakPolarHBondContact O-CG1 3.4Å; A184-I188 PolarHBondContact O-N 3.39Å
189V47.9Very low58.9Low75 Ų75104.3 Ų104.346%0.45554%0.541SS..Hα-helixtrans-80-21.3-175.7172.10000112.8V185 T186 E187 Q191V185-V189 WeakPolarHBondContact O-CB 3.48Å; V185-V189 WeakPolarHBondContact O-CG2 3.31Å; V185-V189 PolarHBondContact O-N 2.9Å; T186-V189 PolarHBondContact O-N 3.34Å; E187-V189 VanDerWaalsContact C-N 3.33Å; V189-Q191 PolarHBondContact O-N 3.45Å
190E47.1Very low61.3Low171 Ų17198 Ų9880%0.79951%0.514SS*.THydrogen-bonded Turntrans-81-9.5-177.4-103.5-178.5169.400115.3T186T186-E190 PolarHBondContact O-N 2.91Å
191Q47.9Very low63.5Low170 Ų17094 Ų9479%0.79450%0.497SS*.THydrogen-bonded Turntrans-129.8-1.4-172.3-68.2-174.46.300117V189 I193V189-Q191 PolarHBondContact O-N 3.45Å; Q191-I193 VanDerWaalsContact C-N 3.29Å; Q191-I193 PolarHBondContact O-N 2.93Å
192A51.3Low65.9Low53 Ų5390.4 Ų90.444%0.43848%0.48SS..  trans-82.376170.600000110.4I194 L265A192-I194 VanDerWaalsContact C-N 3.3Å; A192-I194 PolarHBondContact O-N 3.38Å; A192-L265 HydrophobicContact CB-CD2 4.48Å
193I59.4Low68.3Low149 Ų14985 Ų8576%0.76445%0.452SS*.  trans-63.199164.5-57.9174.7000106.5Q191 A195Q191-I193 VanDerWaalsContact C-N 3.29Å; Q191-I193 PolarHBondContact O-N 2.93Å; I193-A195 PolarHBondContact O-N 2.99Å
194I71.5Confident70.7Confident56 Ų5682.2 Ų82.229%0.28743%0.433SS..  trans-64.3106.1174.1-58.9179.2000106.4A192 L265 T270 P271A192-I194 VanDerWaalsContact C-N 3.3Å; A192-I194 PolarHBondContact O-N 3.38Å; I194-L265 HydrophobicContact CD1-CB 4.25Å; I194-L265 WeakPolarHBondContact CD1-O 3.31Å; I194-T270 HydrophobicContact CD1-CG2 3.79Å; I194-T270 HydrophobicContact CG2-CG2 4.17Å; I194-P271 VanDerWaalsContact CG2-CD 3.47Å; I194-P271 HydrophobicContact CG2-CG 4.49Å
195A82.7Confident72.8Confident35 Ų3583.4 Ų83.429%0.28944%0.436SS..PPolyproline II helixtrans-65.8136178.400000109I193 M319I193-A195 PolarHBondContact O-N 2.99Å; A195-M319 HydrophobicContact CB-CE 4.07Å
196P89.7Confident74.9Confident106 Ų10685.3 Ų85.369%0.68845%0.448SS*.PPolyproline II helixtrans-70.4163.3171.931.7-35000110
197Y94.3Very high77.2Confident18 Ų1882 Ų827%0.07143%0.432CS..PPolyproline II helixtrans-58.5152.1167.9-72.9-81.3000112P271 A284 M285 V298 L314 M319 P323Y197-P271 HydrophobicContact CD2-CB 4.06Å; Y197-P271 HydrophobicContact CD2-CG 3.82Å; Y197-P271 HydrophobicContact CE1-CB 4.46Å; Y197-P271 HydrophobicContact CE2-CB 3.49Å; Y197-P271 VanDerWaalsContact CE2-CB 3.49Å; Y197-P271 HydrophobicContact CE2-CG 3.74Å; Y197-A284 PolarHBondContact OH-N 3.26Å; Y197-A284 PolarHBondContact OH-O 3.32Å; Y197-M285 HydrophobicContact CD2-CE 3.38Å; Y197-M285 HydrophobicContact CE2-CB 4.4Å; Y197-M285 HydrophobicContact CE2-CE 3.67Å; Y197-V298 HydrophobicContact CE1-CG2 4.16Å; Y197-V298 HydrophobicContact CE2-CG1 3.99Å; Y197-V298 HydrophobicContact CE2-CG2 4.41Å; Y197-L314 HydrophobicContact CE1-CD2 3.53Å; Y197-L314 VanDerWaalsContact OH-CD2 3.23Å; Y197-L314 WeakPolarHBondContact OH-CD2 3.37Å; Y197-M319 HydrophobicContact CD1-CB 4.37Å; Y197-M319 HydrophobicContact CD1-CG 4.23Å; Y197-M319 HydrophobicContact CE1-CG 4.29Å; Y197-P323 HydrophobicContact CD1-CG 4.39Å; Y197-P323 HydrophobicContact CD2-CG 4.38Å; Y197-P323 HydrophobicContact CG-CG 4.05Å
198R93.8Very high79.4Confident96 Ų9676.1 Ų76.136%0.36240%0.404SS..PPolyproline II helixtrans-57.1143.3165.7-168.1176.7-176.41653.8110.7E202 M319 E320 P322R198-E202 IonicContact CZ-OE1 2.85Å; R198-E202 IonicContact CZ-OE2 3.62Å; R198-E202 VanDerWaalsContact CZ-OE2 3.28Å; R198-E202 VanDerWaalsContact NE-CD 3.3Å; R198-E202 IonicContact NE-OE1 2.7Å; R198-E202 PolarHBondContact NE-OE1 3.49Å; R198-E202 IonicContact NE-OE2 2.7Å; R198-E202 PolarHBondContact NE-OE2 3.26Å; R198-E202 IonicContact NH2-OE1 3.73Å; R198-E202 PolarHBondContact NH2-OE1 3.45Å; R198-E202 IonicContact NH2-OE2 3.35Å; R198-E202 PolarHBondContact NH2-OE2 3.27Å; R198-M319 PolarHBondContact N-O 3.22Å; R198-E320 WeakPolarHBondContact CD-O 3.29Å; R198-E320 PolarHBondContact NH1-O 2.98Å; R198-P322 HydrophobicContact CB-CG 4.01Å; R198-P322 HydrophobicContact CG-CG 4.01Å; R198-P322 WeakPolarHBondContact O-CA 3.32Å; R198-P322 VanDerWaalsContact O-CB 3.32Å; R198-P322 WeakPolarHBondContact O-CB 3.39Å
199K92.6Very high81.5Confident151 Ų15173.6 Ų73.666%0.65740%0.401SS*.PPolyproline II helixtrans-72.6145.9-178.8-66.3-172.4176-1730111.7D201 P322K199-D201 VanDerWaalsContact C-N 3.29Å; K199-D201 PolarHBondContact O-N 2.98Å; K199-P322 VanDerWaalsContact O-CG 3.3Å; K199-P322 WeakPolarHBondContact O-CG 3.47Å
200Q94.8Very high83.6Confident36 Ų3674.2 Ų74.217%0.16842%0.423CS..G310 helixtrans-75.9-15179.1-66.4173.3-5300113.4E202 F203 P322 P323 A325 I326Q200-E202 PolarHBondContact O-N 2.97Å; Q200-F203 HydrophobicContact CB-CD2 4.45Å; Q200-F203 WeakPolarHBondContact O-CB 3.38Å; Q200-F203 PolarHBondContact O-N 2.91Å; Q200-P322 HydrophobicContact CG-CB 3.85Å; Q200-P323 HydrophobicContact CG-CB 4.38Å; Q200-P323 WeakPolarHBondContact CG-O 3.29Å; Q200-P323 PolarHBondContact NE2-O 3.4Å; Q200-A325 PolarHBondContact NE2-O 2.68Å; Q200-I326 HydrophobicContact CB-CD1 4.04Å; Q200-I326 HydrophobicContact CG-CD1 4.13Å; Q200-I326 VanDerWaalsContact NE2-CD1 3.31Å
201D91.9Very high85.9Confident68 Ų6866.9 Ų66.936%0.36439%0.39SS..G310 helixtrans-54.6-29-176.6-58.4-20.3000113.3K199 F203 F204 T205K199-D201 VanDerWaalsContact C-N 3.29Å; K199-D201 PolarHBondContact O-N 2.98Å; D201-F203 VanDerWaalsContact C-N 3.27Å; D201-F203 PolarHBondContact O-N 3.42Å; D201-F204 PolarHBondContact O-N 2.8Å; D201-T205 PolarHBondContact O-N 2.93Å; D201-T205 VanDerWaalsContact O-N 3.15Å; D201-T205 PolarHBondContact O-OG1 3.37Å
202E92.2Very high88.2Confident54 Ų5463.1 Ų63.125%0.25237%0.372SS..G310 helixtrans-62.9-31.6179-66.1-174.9-131.600112.6R198 Q200 F204 T205 T206 G207 L208R198-E202 IonicContact CZ-OE1 2.85Å; R198-E202 IonicContact CZ-OE2 3.62Å; R198-E202 VanDerWaalsContact CZ-OE2 3.28Å; R198-E202 VanDerWaalsContact NE-CD 3.3Å; R198-E202 IonicContact NE-OE1 2.7Å; R198-E202 PolarHBondContact NE-OE1 3.49Å; R198-E202 IonicContact NE-OE2 2.7Å; R198-E202 PolarHBondContact NE-OE2 3.26Å; R198-E202 IonicContact NH2-OE1 3.73Å; R198-E202 PolarHBondContact NH2-OE1 3.45Å; R198-E202 IonicContact NH2-OE2 3.35Å; R198-E202 PolarHBondContact NH2-OE2 3.27Å; Q200-E202 PolarHBondContact O-N 2.97Å; E202-F204 PolarHBondContact O-N 3.34Å; E202-T205 WeakPolarHBondContact CA-OG1 3.43Å; E202-T205 PolarHBondContact O-N 3.2Å; E202-T206 PolarHBondContact O-N 3.15Å; E202-G207 CarbonylContact O-C 3.58Å; E202-G207 WeakPolarHBondContact O-CA 3.31Å; E202-G207 PolarHBondContact O-N 3.36Å; E202-L208 HydrophobicContact CB-CB 4.42Å
203F96Very high90.4Very high3 Ų360.8 Ų60.81%0.01335%0.352CS..G310 helixtrans-62.7-25.8174.1-71.8-64.3000112.9Q200 D201 L208 I211 Q212 F213 P322 L324Q200-F203 HydrophobicContact CB-CD2 4.45Å; Q200-F203 WeakPolarHBondContact O-CB 3.38Å; Q200-F203 PolarHBondContact O-N 2.91Å; D201-F203 VanDerWaalsContact C-N 3.27Å; D201-F203 PolarHBondContact O-N 3.42Å; F203-L208 HydrophobicContact CD1-CB 3.94Å; F203-L208 HydrophobicContact CE1-CB 3.93Å; F203-L208 HydrophobicContact CE1-CD2 4Å; F203-L208 HydrophobicContact CE1-CG 4.32Å; F203-L208 HydrophobicContact CE2-CD2 4.28Å; F203-L208 HydrophobicContact CZ-CD2 3.84Å; F203-I211 HydrophobicContact CD1-CB 4.42Å; F203-I211 HydrophobicContact CD1-CG2 4.37Å; F203-Q212 CarbonylContact O-C 3.55Å; F203-Q212 WeakPolarHBondContact O-CA 3.11Å; F203-F213 HydrophobicContact CB-CD2 3.68Å; F203-F213 HydrophobicContact CB-CE2 3.7Å; F203-F213 HydrophobicContact CD1-CE2 4.16Å; F203-F213 HydrophobicContact CG-CD2 4.44Å; F203-F213 AromaticContact CG-CE2 3.96Å; F203-F213 HydrophobicContact CG-CE2 3.96Å; F203-F213 PolarHBondContact O-N 3.32Å; F203-P322 HydrophobicContact CE2-CB 3.94Å; F203-P322 HydrophobicContact CE2-CG 3.94Å; F203-P322 HydrophobicContact CZ-CG 4.5Å; F203-L324 HydrophobicContact CE2-CD2 4.34Å; F203-L324 HydrophobicContact CZ-CD2 3.93Å
204F95.8Very high92.2Very high20 Ų2058.9 Ų58.99%0.08834%0.34CS..G310 helixtrans-102.7-7.8-177-57.6-88.9000113.1D201 E202 F213 I326 F360 R363 P364 L369D201-F204 PolarHBondContact O-N 2.8Å; E202-F204 PolarHBondContact O-N 3.34Å; F204-F213 HydrophobicContact CD1-CB 3.98Å; F204-F213 HydrophobicContact CD1-CD2 4.38Å; F204-F213 HydrophobicContact CE1-CB 4.02Å; F204-F213 AromaticContact CE1-CD2 3.95Å; F204-F213 HydrophobicContact CE1-CD2 3.95Å; F204-F213 HydrophobicContact CE1-CG 4.44Å; F204-F213 HydrophobicContact CE2-CD2 4.42Å; F204-F213 AromaticContact CZ-CD2 3.97Å; F204-F213 HydrophobicContact CZ-CD2 3.97Å; F204-I326 HydrophobicContact CE2-CD1 3.99Å; F204-I326 HydrophobicContact CZ-CD1 4.13Å; F204-I326 HydrophobicContact CZ-CG2 4.4Å; F204-F360 AromaticContact CD1-CE2 3.97Å; F204-F360 HydrophobicContact CD1-CE2 3.97Å; F204-F360 AromaticContact CD1-CZ 3.96Å; F204-F360 HydrophobicContact CD1-CZ 3.96Å; F204-F360 HydrophobicContact CE1-CE1 4.33Å; F204-F360 HydrophobicContact CE1-CE2 4.22Å; F204-F360 AromaticContact CE1-CZ 3.97Å; F204-F360 HydrophobicContact CE1-CZ 3.97Å; F204-R363 HydrophobicContact CB-CB 3.9Å; F204-R363 HydrophobicContact CG-CB 4.39Å; F204-P364 HydrophobicContact CD2-CG 3.87Å; F204-P364 HydrophobicContact CE1-CG 4.31Å; F204-P364 HydrophobicContact CE2-CG 3.51Å; F204-P364 HydrophobicContact CG-CG 4.41Å; F204-P364 HydrophobicContact CZ-CG 3.76Å; F204-L369 HydrophobicContact CE1-CD1 3.89Å; F204-L369 HydrophobicContact CE1-CD2 4.03Å; F204-L369 HydrophobicContact CZ-CD1 4.32Å; F204-L369 HydrophobicContact CZ-CD2 4.17Å
205T92.3Very high93.3Very high70 Ų7059.3 Ų59.343%0.42935%0.346SS..THydrogen-bonded Turntrans-117.7-80.7-173.350.90000111.9D201 E202 Q212D201-T205 PolarHBondContact O-N 2.93Å; D201-T205 VanDerWaalsContact O-N 3.15Å; D201-T205 PolarHBondContact O-OG1 3.37Å; E202-T205 WeakPolarHBondContact CA-OG1 3.43Å; E202-T205 PolarHBondContact O-N 3.2Å; T205-Q212 PolarHBondContact O-NE2 2.96Å
206T92.5Very high94Very high110 Ų11062.2 Ų62.268%0.67535%0.354SS*.THydrogen-bonded Turntrans-87.4-13.5-177.852.90000113.6E202E202-T206 PolarHBondContact O-N 3.15Å
207G92.7Very high94.3Very high17 Ų1759.9 Ų59.918%0.17534%0.337CS..  trans77155.7-163.600000111.9E202 I211E202-G207 CarbonylContact O-C 3.58Å; E202-G207 WeakPolarHBondContact O-CA 3.31Å; E202-G207 PolarHBondContact O-N 3.36Å; G207-I211 CarbonylContact C-O 3.06Å; G207-I211 WeakPolarHBondContact CA-O 3.34Å
208L93Very high94.4Very high19 Ų1962.7 Ų62.710%0.09935%0.352CS..BIsolated β-bridgetrans-140.3134177.3-178.668.4000109.9E202 F203 G210 I211 L321 P322E202-L208 HydrophobicContact CB-CB 4.42Å; F203-L208 HydrophobicContact CD1-CB 3.94Å; F203-L208 HydrophobicContact CE1-CB 3.93Å; F203-L208 HydrophobicContact CE1-CD2 4Å; F203-L208 HydrophobicContact CE1-CG 4.32Å; F203-L208 HydrophobicContact CE2-CD2 4.28Å; F203-L208 HydrophobicContact CZ-CD2 3.84Å; L208-G210 PolarHBondContact O-N 3.29Å; L208-G210 VanDerWaalsContact O-N 3.17Å; L208-I211 PolarHBondContact N-O 3.44Å; L208-I211 WeakPolarHBondContact O-CB 3.3Å; L208-I211 PolarHBondContact O-N 2.98Å; L208-L321 HydrophobicContact CD2-CD1 4.28Å; L208-P322 HydrophobicContact CD2-CG 3.5Å; L208-P322 VanDerWaalsContact CD2-CG 3.5Å
209A91.7Very high94.6Very high68 Ų6858.6 Ų58.656%0.56234%0.337SS*.THydrogen-bonded Turntrans51.636.9-17900000113.5I211 L242A209-I211 VanDerWaalsContact C-N 3.26Å; A209-I211 PolarHBondContact O-N 3.36Å; A209-L242 HydrophobicContact CB-CD1 3.99Å; A209-L242 HydrophobicContact CB-CD2 3.98Å
210G93Very high94.9Very high89 Ų8956 Ų5692%0.91833%0.328SS*.THydrogen-bonded Turntrans76.66.1-177.600000114.9L208L208-G210 PolarHBondContact O-N 3.29Å; L208-G210 VanDerWaalsContact O-N 3.17Å
211I95.5Very high95.1Very high17 Ų1754.3 Ų54.39%0.08732%0.32CS..BIsolated β-bridgetrans-108.6124.7178.3-56177.5000109.4F203 G207 L208 A209 F213 K238 L242F203-I211 HydrophobicContact CD1-CB 4.42Å; F203-I211 HydrophobicContact CD1-CG2 4.37Å; G207-I211 CarbonylContact C-O 3.06Å; G207-I211 WeakPolarHBondContact CA-O 3.34Å; L208-I211 PolarHBondContact N-O 3.44Å; L208-I211 WeakPolarHBondContact O-CB 3.3Å; L208-I211 PolarHBondContact O-N 2.98Å; A209-I211 VanDerWaalsContact C-N 3.26Å; A209-I211 PolarHBondContact O-N 3.36Å; I211-F213 HydrophobicContact CG2-CD1 4.13Å; I211-F213 HydrophobicContact CG2-CE1 3.46Å; I211-F213 VanDerWaalsContact CG2-CE1 3.46Å; I211-F213 HydrophobicContact CG2-CE2 4.44Å; I211-F213 HydrophobicContact CG2-CZ 3.64Å; I211-K238 HydrophobicContact CD1-CB 4.26Å; I211-K238 VanDerWaalsContact CD1-O 3.23Å; I211-K238 WeakPolarHBondContact CD1-O 3.39Å; I211-K238 HydrophobicContact CG2-CB 4.15Å; I211-K238 HydrophobicContact CG2-CD 4.36Å; I211-L242 HydrophobicContact CD1-CD1 3.48Å; I211-L242 VanDerWaalsContact CD1-CD1 3.48Å; I211-L242 HydrophobicContact CD1-CG 4.2Å
212Q96.3Very high95.4Very high91 Ų9154.2 Ų54.243%0.42532%0.315SS..  trans-130.1132.2168-169.2178.64.700108.8F203 T205F203-Q212 CarbonylContact O-C 3.55Å; F203-Q212 WeakPolarHBondContact O-CA 3.11Å; T205-Q212 PolarHBondContact O-NE2 2.96Å
213F97.1Very high95.7Very high3 Ų351.8 Ų51.81%0.01330%0.303CS..  trans-96114.9175.5-56.7-48.4000109.5F203 F204 I211 F236 K238 F360F203-F213 HydrophobicContact CB-CD2 3.68Å; F203-F213 HydrophobicContact CB-CE2 3.7Å; F203-F213 HydrophobicContact CD1-CE2 4.16Å; F203-F213 HydrophobicContact CG-CD2 4.44Å; F203-F213 AromaticContact CG-CE2 3.96Å; F203-F213 HydrophobicContact CG-CE2 3.96Å; F203-F213 PolarHBondContact O-N 3.32Å; F204-F213 HydrophobicContact CD1-CB 3.98Å; F204-F213 HydrophobicContact CD1-CD2 4.38Å; F204-F213 HydrophobicContact CE1-CB 4.02Å; F204-F213 AromaticContact CE1-CD2 3.95Å; F204-F213 HydrophobicContact CE1-CD2 3.95Å; F204-F213 HydrophobicContact CE1-CG 4.44Å; F204-F213 HydrophobicContact CE2-CD2 4.42Å; F204-F213 AromaticContact CZ-CD2 3.97Å; F204-F213 HydrophobicContact CZ-CD2 3.97Å; I211-F213 HydrophobicContact CG2-CD1 4.13Å; I211-F213 HydrophobicContact CG2-CE1 3.46Å; I211-F213 VanDerWaalsContact CG2-CE1 3.46Å; I211-F213 HydrophobicContact CG2-CE2 4.44Å; I211-F213 HydrophobicContact CG2-CZ 3.64Å; F213-F236 HydrophobicContact CB-CE1 4.43Å; F213-F236 AromaticContact CD1-CD1 3.48Å; F213-F236 HydrophobicContact CD1-CD1 3.48Å; F213-F236 VanDerWaalsContact CD1-CD1 3.48Å; F213-F236 AromaticContact CD1-CE1 3.77Å; F213-F236 HydrophobicContact CD1-CE1 3.77Å; F213-F236 HydrophobicContact CD1-CG 4.1Å; F213-F236 HydrophobicContact CD2-CD1 4.26Å; F213-F236 HydrophobicContact CD2-CD2 4.41Å; F213-F236 HydrophobicContact CD2-CE1 4.22Å; F213-F236 HydrophobicContact CD2-CE2 4.39Å; F213-F236 HydrophobicContact CD2-CG 4.35Å; F213-F236 HydrophobicContact CD2-CZ 4.29Å; F213-F236 HydrophobicContact CE1-CB 3.57Å; F213-F236 AromaticContact CE1-CD1 3.31Å; F213-F236 HydrophobicContact CE1-CD1 3.31Å; F213-F236 HydrophobicContact CE1-CD2 4.42Å; F213-F236 HydrophobicContact CE1-CE1 4.07Å; F213-F236 AromaticContact CE1-CG 3.52Å; F213-F236 HydrophobicContact CE1-CG 3.52Å; F213-F236 HydrophobicContact CE2-CB 4.18Å; F213-F236 HydrophobicContact CE2-CD1 4.11Å; F213-F236 AromaticContact CE2-CD2 3.9Å; F213-F236 HydrophobicContact CE2-CD2 3.9Å; F213-F236 HydrophobicContact CE2-CE1 4.47Å; F213-F236 HydrophobicContact CE2-CE2 4.3Å; F213-F236 AromaticContact CE2-CG 3.8Å; F213-F236 HydrophobicContact CE2-CG 3.8Å; F213-F236 AromaticContact CG-CD1 3.99Å; F213-F236 HydrophobicContact CG-CD1 3.99Å; F213-F236 AromaticContact CG-CE1 3.88Å; F213-F236 HydrophobicContact CG-CE1 3.88Å; F213-F236 HydrophobicContact CG-CZ 4.34Å; F213-F236 HydrophobicContact CZ-CB 3.34Å; F213-F236 AromaticContact CZ-CD1 3.66Å; F213-F236 HydrophobicContact CZ-CD1 3.66Å; F213-F236 AromaticContact CZ-CD2 3.92Å; F213-F236 HydrophobicContact CZ-CD2 3.92Å; F213-F236 HydrophobicContact CZ-CE1 4.42Å; F213-F236 AromaticContact CZ-CG 3.36Å; F213-F236 HydrophobicContact CZ-CG 3.36Å; F213-K238 HydrophobicContact CE1-CB 4.28Å; F213-K238 HydrophobicContact CE1-CD 4.29Å; F213-F360 HydrophobicContact CB-CE1 4.19Å; F213-F360 HydrophobicContact CB-CZ 3.75Å
214E95.9Very high95.7Very high109 Ų10952.3 Ų52.351%0.50931%0.309SS..  trans-87.2135.5180-67170.8-168.800110.8V217 H219 F360E214-V217 HydrophobicContact CB-CB 4.35Å; E214-V217 HydrophobicContact CB-CG2 3.91Å; E214-H219 PolarHBondContact O-NE2 3.47Å; E214-F360 VanDerWaalsContact O-CZ 3.23Å; E214-F360 WeakPolarHBondContact O-CZ 3.48Å
215P96.6Very high95.8Very high66 Ų6652.5 Ų52.543%0.42931%0.313SS..THydrogen-bonded Turntrans-64.2158171.929.4-34.2000110.9V217 F360 C361P215-V217 PolarHBondContact O-N 2.96Å; P215-F360 VanDerWaalsContact CA-CE2 3.44Å; P215-F360 HydrophobicContact CB-CD2 4.18Å; P215-F360 HydrophobicContact CB-CE2 3.95Å; P215-C361 VanDerWaalsContact CB-O 3.27Å; P215-C361 WeakPolarHBondContact CB-O 3.22Å
216E95.6Very high96Very high95 Ų9550.5 Ų50.544%0.44430%0.298SS..THydrogen-bonded Turntrans60.87179.8-61.2-61.9145.800115.7K359 F360 C361E216-K359 VanDerWaalsContact C-CE 3.47Å; E216-K359 WeakPolarHBondContact O-CE 3.35Å; E216-K359 WeakPolarHBondContact OE2-CE 3.24Å; E216-K359 IonicContact OE2-NZ 3.52Å; E216-K359 PolarHBondContact OE2-NZ 3.09Å; E216-F360 PolarHBondContact N-O 3.47Å; E216-C361 VanDerWaalsContact OE1-CA 3.24Å; E216-C361 WeakPolarHBondContact OE1-CA 3.15Å; E216-C361 WeakPolarHBondContact OE1-CB 3.09Å; E216-C361 PolarHBondContact OE1-SG 3.22Å
217V96.4Very high96Very high57 Ų5753 Ų5335%0.34530%0.3SS..SBendtrans-101.7145.2174.8177.50000110.4E214 P215 H219E214-V217 HydrophobicContact CB-CB 4.35Å; E214-V217 HydrophobicContact CB-CG2 3.91Å; P215-V217 PolarHBondContact O-N 2.96Å; V217-H219 PolarHBondContact O-CD2 2.92Å
218M97.4Very high96.1Very high78 Ų7852.9 Ų52.938%0.38430%0.296SS..  trans-77.7119.1173.5-69.4-65.1-76.900110.4Q357 K359 Y374M218-Q357 HydrophobicContact CE-CB 3.56Å; M218-Q357 HydrophobicContact CE-CG 4.37Å; M218-Q357 VanDerWaalsContact CE-OE1 3.24Å; M218-K359 HydrophobicContact SD-CB 3.73Å; M218-K359 HydrophobicContact SD-CD 4.28Å; M218-K359 HydrophobicContact SD-CG 4.22Å; M218-Y374 HydrophobicContact CE-CD2 3.5Å; M218-Y374 VanDerWaalsContact CE-CD2 3.5Å; M218-Y374 HydrophobicContact CE-CE2 3.97Å; M218-Y374 HydrophobicContact CE-CG 3.83Å; M218-Y374 HydrophobicContact SD-CD2 4.05Å; M218-Y374 HydrophobicContact SD-CE2 3.92Å
219H98.3Very high96.2Very high9 Ų952 Ų524%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-112.4135.2177-63.6-85.2000111E214 V217 F236 Q357 V358 F360E214-H219 PolarHBondContact O-NE2 3.47Å; V217-H219 PolarHBondContact O-CD2 2.92Å; H219-F236 HydrophobicContact CB-CD1 3.76Å; H219-F236 HydrophobicContact CB-CE1 3.56Å; H219-F236 AromaticContact CG-CE1 3.77Å; H219-Q357 CarbonylContact O-C 3.32Å; H219-Q357 VanDerWaalsContact O-CA 3.29Å; H219-Q357 WeakPolarHBondContact O-CA 3.2Å; H219-V358 HydrophobicContact CB-CG2 4.19Å; H219-V358 PolarHBondContact N-O 2.67Å; H219-V358 PolarHBondContact O-N 2.85Å; H219-F360 AromaticContact CD2-CE1 3.59Å; H219-F360 AromaticContact NE2-CE1 3.83Å
220Q98.4Very high96.3Very high98 Ų9850.9 Ų50.946%0.45828%0.276SS..EExtended strand (participates in β ladder)trans-74.7135.7170-66.6-171.725.200110.5A237 R356 Q357Q220-A237 HydrophobicContact CB-CB 3.92Å; Q220-A237 VanDerWaalsContact O-CB 3.29Å; Q220-A237 WeakPolarHBondContact O-CB 3.47Å; Q220-A237 PolarHBondContact O-N 3.35Å; Q220-R356 WeakPolarHBondContact CA-O 3.39Å; Q220-Q357 HydrophobicContact CG-CG 4.38Å
221V98.5Very high96.4Very high0 Ų050 Ų500%025%0.248CC..EExtended strand (participates in β ladder)trans-137160.9179.4-560000111.1V234 V235 F236 R355 R356 V358V221-V234 HydrophobicContact CB-CB 4.04Å; V221-V234 HydrophobicContact CB-CG2 4.46Å; V221-V234 HydrophobicContact CG1-CB 4.38Å; V221-V234 HydrophobicContact CG1-CG2 4.26Å; V221-V234 HydrophobicContact CG2-CB 4.13Å; V221-V234 HydrophobicContact CG2-CG1 4.15Å; V221-V235 CarbonylContact C-O 3.43Å; V221-V235 WeakPolarHBondContact CA-O 3.39Å; V221-F236 HydrophobicContact CG1-CD1 4.07Å; V221-F236 HydrophobicContact CG1-CD2 4.32Å; V221-F236 HydrophobicContact CG1-CE1 4.29Å; V221-F236 HydrophobicContact CG1-CG 4.09Å; V221-F236 HydrophobicContact CG1-CZ 4.5Å; V221-R355 CarbonylContact O-C 3.17Å; V221-R355 WeakPolarHBondContact O-CA 3.42Å; V221-R356 HydrophobicContact CG2-CB 4.04Å; V221-R356 PolarHBondContact N-O 3.47Å; V221-R356 PolarHBondContact O-N 3.39Å; V221-V358 HydrophobicContact CG1-CB 4.42Å; V221-V358 HydrophobicContact CG1-CG1 4.15Å; V221-V358 HydrophobicContact CG1-CG2 3.49Å; V221-V358 VanDerWaalsContact CG1-CG2 3.49Å; V221-V358 HydrophobicContact CG2-CG1 3.67Å
222Y98.2Very high96.5Very high66 Ų6649.3 Ų49.326%0.25924%0.244SC..EExtended strand (participates in β ladder)trans-105.6135.5163.3-64.8-87.3000108.8G224 V234 V235 A237 K240 K354 R355Y222-G224 PolarHBondContact O-N 2.91Å; Y222-V234 CarbonylContact O-C 3.52Å; Y222-V234 WeakPolarHBondContact O-CA 3.45Å; Y222-V235 PolarHBondContact N-O 3.38Å; Y222-V235 PolarHBondContact O-N 2.91Å; Y222-A237 HydrophobicContact CD2-CB 4.4Å; Y222-A237 HydrophobicContact CE2-CB 3.98Å; Y222-K240 HydrophobicContact CE2-CD 4.44Å; Y222-K354 WeakPolarHBondContact CA-O 2.97Å; Y222-R355 HydrophobicContact CD1-CB 4.17Å; Y222-R355 HydrophobicContact CD1-CG 4.37Å; Y222-R355 HydrophobicContact CE1-CB 4.03Å; Y222-R355 HydrophobicContact CE1-CG 4.06Å
223I98.2Very high96.6Very high2 Ų245.6 Ų45.61%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-67.5120.5169.2-55.6-57.6000107.8W226 F232 V234 C350 A352 G353 K354 R356 L373I223-W226 HydrophobicContact CG2-CB 4.27Å; I223-W226 HydrophobicContact CG2-CE3 4.44Å; I223-F232 HydrophobicContact CD1-CD2 4.47Å; I223-V234 HydrophobicContact CD1-CG1 4.05Å; I223-C350 WeakPolarHBondContact CG2-O 3.43Å; I223-A352 CarbonylContact O-C 3.55Å; I223-A352 WeakPolarHBondContact O-CA 3.27Å; I223-G353 PolarHBondContact O-N 3.38Å; I223-K354 HydrophobicContact CG1-CB 4.46Å; I223-K354 PolarHBondContact N-O 2.94Å; I223-R356 HydrophobicContact CD1-CB 4.39Å; I223-R356 HydrophobicContact CD1-CG 3.97Å; I223-R356 HydrophobicContact CG1-CG 3.9Å; I223-L373 HydrophobicContact CD1-CD1 4.32Å
224G97.1Very high96.7Very high14 Ų1445.4 Ų45.414%0.14423%0.226CC..EExtended strand (participates in β ladder)trans-86.8-63.4178.900000111.2Y222 H233 S300 A352Y222-G224 PolarHBondContact O-N 2.91Å; G224-H233 PolarHBondContact N-O 3.28Å; G224-S300 CarbonylContact C-O 3.49Å; G224-S300 WeakPolarHBondContact CA-O 3.22Å; G224-A352 WeakPolarHBondContact O-CB 3.35Å
225S97Very high96.8Very high24 Ų2440.9 Ų40.917%0.16821%0.206CC..EExtended strand (participates in β ladder)trans-132.9150.5171.870.50000110.4F232 H233 S300 G301S225-F232 CarbonylContact O-C 3.43Å; S225-F232 WeakPolarHBondContact O-CA 3.26Å; S225-F232 WeakPolarHBondContact O-CB 3.44Å; S225-H233 PolarHBondContact N-O 2.94Å; S225-H233 PolarHBondContact O-N 3.45Å; S225-H233 PolarHBondContact OG-ND1 2.84Å; S225-S300 PolarHBondContact N-O 3.25Å; S225-G301 VanDerWaalsContact CB-O 3.29Å; S225-G301 WeakPolarHBondContact CB-O 3.15Å; S225-G301 VanDerWaalsContact OG-C 3.25Å; S225-G301 PolarHBondContact OG-O 3.47Å
226W96.3Very high96.8Very high28 Ų2837.8 Ų37.811%0.10619%0.186CC..EExtended strand (participates in β ladder)trans-133.7115.3-178.7-177.9-85000110.1I223 P229 F232 I330 F346 C350 L373I223-W226 HydrophobicContact CG2-CB 4.27Å; I223-W226 HydrophobicContact CG2-CE3 4.44Å; W226-P229 HydrophobicContact CZ2-CG 4.33Å; W226-F232 HydrophobicContact CD2-CB 4.18Å; W226-F232 HydrophobicContact CE3-CB 3.53Å; W226-F232 HydrophobicContact CE3-CD1 4.39Å; W226-F232 AromaticContact CE3-CD2 3.95Å; W226-F232 HydrophobicContact CE3-CD2 3.95Å; W226-F232 AromaticContact CE3-CG 3.72Å; W226-F232 HydrophobicContact CE3-CG 3.72Å; W226-F232 HydrophobicContact CZ3-CB 4.06Å; W226-F232 HydrophobicContact CZ3-CD1 4.05Å; W226-F232 AromaticContact CZ3-CD2 3.87Å; W226-F232 HydrophobicContact CZ3-CD2 3.87Å; W226-F232 HydrophobicContact CZ3-CE1 4.46Å; W226-F232 HydrophobicContact CZ3-CE2 4.26Å; W226-F232 AromaticContact CZ3-CG 3.73Å; W226-F232 HydrophobicContact CZ3-CG 3.73Å; W226-I330 HydrophobicContact CH2-CD1 4.05Å; W226-F346 HydrophobicContact CH2-CD1 4.29Å; W226-F346 HydrophobicContact CH2-CD2 4.23Å; W226-F346 AromaticContact CH2-CE1 3.97Å; W226-F346 HydrophobicContact CH2-CE1 3.97Å; W226-F346 AromaticContact CH2-CE2 3.87Å; W226-F346 HydrophobicContact CH2-CE2 3.87Å; W226-F346 HydrophobicContact CH2-CG 4.45Å; W226-F346 AromaticContact CH2-CZ 3.77Å; W226-F346 HydrophobicContact CH2-CZ 3.77Å; W226-F346 AromaticContact CZ2-CD1 3.9Å; W226-F346 HydrophobicContact CZ2-CD1 3.9Å; W226-F346 HydrophobicContact CZ2-CD2 4.1Å; W226-F346 HydrophobicContact CZ2-CE1 4.04Å; W226-F346 HydrophobicContact CZ2-CE2 4.2Å; W226-F346 AromaticContact CZ2-CG 3.96Å; W226-F346 HydrophobicContact CZ2-CG 3.96Å; W226-F346 HydrophobicContact CZ2-CZ 4.2Å; W226-C350 WeakPolarHBondContact CB-O 3.29Å; W226-C350 HydrophobicContact CD2-CB 3.41Å; W226-C350 VanDerWaalsContact CD2-CB 3.41Å; W226-C350 HydrophobicContact CE3-CB 3.27Å; W226-C350 HydrophobicContact CG-CB 4.1Å; W226-C350 HydrophobicContact CH2-CB 3.74Å; W226-C350 HydrophobicContact CZ2-CB 3.88Å; W226-C350 HydrophobicContact CZ3-CB 3.45Å; W226-C350 VanDerWaalsContact CZ3-CB 3.45Å; W226-L373 HydrophobicContact CH2-CD2 4.14Å; W226-L373 HydrophobicContact CZ3-CD2 3.85Å
227F93Very high96.9Very high163 Ų16334.5 Ų34.572%0.71517%0.174SC*.EExtended strand (participates in β ladder)trans-105.2-53.4172.2-178.1-103.4000110.2E231F227-E231 WeakPolarHBondContact CB-O 3.41Å; F227-E231 HydrophobicContact CD1-CB 4.36Å; F227-E231 PolarHBondContact N-O 3.48Å; F227-E231 VanDerWaalsContact N-O 3.16Å
228S93.9Very high97Very high14 Ų1437.4 Ų37.410%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-158.1172.417775.80000111.4L230 E231S228-L230 PolarHBondContact O-N 2.91Å; S228-L230 VanDerWaalsContact O-N 3.11Å; S228-L230 PolarHBondContact OG-N 3.06Å; S228-L230 VanDerWaalsContact OG-N 3.15Å; S228-E231 PolarHBondContact N-O 3.01Å; S228-E231 CarbonylContact O-C 3.58Å; S228-E231 PolarHBondContact O-N 2.95Å; S228-E231 PolarHBondContact OG-N 3.37Å
229P94.8Very high97Very high0 Ų033.8 Ų33.80%017%0.165CC..THydrogen-bonded Turntrans-54.8-25169.1-28.737.7000114.5W226 I330 F338 L343 F346 F386W226-P229 HydrophobicContact CZ2-CG 4.33Å; P229-I330 HydrophobicContact CB-CB 4.35Å; P229-I330 HydrophobicContact CB-CD1 4.09Å; P229-I330 HydrophobicContact CB-CG1 4.36Å; P229-I330 PolarHBondContact O-N 2.88Å; P229-F338 HydrophobicContact CB-CE1 3.98Å; P229-F338 HydrophobicContact CB-CZ 4.05Å; P229-F338 HydrophobicContact CG-CE1 3.86Å; P229-F338 HydrophobicContact CG-CZ 4.14Å; P229-L343 HydrophobicContact CG-CD2 3.91Å; P229-F346 HydrophobicContact CB-CE1 4.32Å; P229-F346 HydrophobicContact CG-CD1 3.76Å; P229-F346 HydrophobicContact CG-CE1 3.76Å; P229-F386 HydrophobicContact CG-CE2 4.13Å; P229-F386 HydrophobicContact CG-CZ 4.13Å
230L94.6Very high96.9Very high45 Ų4537.7 Ų37.724%0.23618%0.182CC..THydrogen-bonded Turntrans-87.3-15.2177.1-75.4169.3000113.3S228 Q329 S333 R335 F338S228-L230 PolarHBondContact O-N 2.91Å; S228-L230 VanDerWaalsContact O-N 3.11Å; S228-L230 PolarHBondContact OG-N 3.06Å; S228-L230 VanDerWaalsContact OG-N 3.15Å; L230-Q329 WeakPolarHBondContact O-CB 3.44Å; L230-S333 VanDerWaalsContact CD2-OG 3.3Å; L230-S333 WeakPolarHBondContact CD2-OG 3.24Å; L230-R335 HydrophobicContact CD1-CB 4.43Å; L230-R335 HydrophobicContact CD1-CG 3.37Å; L230-F338 HydrophobicContact CB-CE2 4.45Å; L230-F338 HydrophobicContact CB-CZ 4.17Å; L230-F338 HydrophobicContact CD1-CE2 3.62Å; L230-F338 HydrophobicContact CD1-CZ 3.59Å; L230-F338 HydrophobicContact CG-CE2 4.1Å; L230-F338 HydrophobicContact CG-CZ 3.62Å
231E95Very high96.8Very high72 Ų7237 Ų3734%0.33619%0.185SC..EExtended strand (participates in β ladder)trans-152.7109.5-179.1-175.5170.7-171.900110.9F227 S228F227-E231 WeakPolarHBondContact CB-O 3.41Å; F227-E231 HydrophobicContact CD1-CB 4.36Å; F227-E231 PolarHBondContact N-O 3.48Å; F227-E231 VanDerWaalsContact N-O 3.16Å; S228-E231 PolarHBondContact N-O 3.01Å; S228-E231 CarbonylContact O-C 3.58Å; S228-E231 PolarHBondContact O-N 2.95Å; S228-E231 PolarHBondContact OG-N 3.37Å
232F97.7Very high96.7Very high1 Ų139 Ų390%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-151.6168.4171.564.4-76000108.9I223 S225 W226 V234 R327 C328 I330 V371I223-F232 HydrophobicContact CD1-CD2 4.47Å; S225-F232 CarbonylContact O-C 3.43Å; S225-F232 WeakPolarHBondContact O-CA 3.26Å; S225-F232 WeakPolarHBondContact O-CB 3.44Å; W226-F232 HydrophobicContact CD2-CB 4.18Å; W226-F232 HydrophobicContact CE3-CB 3.53Å; W226-F232 HydrophobicContact CE3-CD1 4.39Å; W226-F232 AromaticContact CE3-CD2 3.95Å; W226-F232 HydrophobicContact CE3-CD2 3.95Å; W226-F232 AromaticContact CE3-CG 3.72Å; W226-F232 HydrophobicContact CE3-CG 3.72Å; W226-F232 HydrophobicContact CZ3-CB 4.06Å; W226-F232 HydrophobicContact CZ3-CD1 4.05Å; W226-F232 AromaticContact CZ3-CD2 3.87Å; W226-F232 HydrophobicContact CZ3-CD2 3.87Å; W226-F232 HydrophobicContact CZ3-CE1 4.46Å; W226-F232 HydrophobicContact CZ3-CE2 4.26Å; W226-F232 AromaticContact CZ3-CG 3.73Å; W226-F232 HydrophobicContact CZ3-CG 3.73Å; F232-V234 HydrophobicContact CD2-CG1 3.71Å; F232-V234 HydrophobicContact CE2-CG1 3.5Å; F232-V234 VanDerWaalsContact CE2-CG1 3.5Å; F232-R327 CarbonylContact O-C 3.56Å; F232-R327 WeakPolarHBondContact O-CA 3.33Å; F232-C328 HydrophobicContact CD1-CB 4.05Å; F232-C328 WeakPolarHBondContact CD1-O 3.47Å; F232-C328 HydrophobicContact CD2-CB 4.02Å; F232-C328 HydrophobicContact CE1-CB 3.58Å; F232-C328 HydrophobicContact CE2-CB 3.59Å; F232-C328 HydrophobicContact CG-CB 4.25Å; F232-C328 HydrophobicContact CZ-CB 3.35Å; F232-C328 PolarHBondContact N-O 2.78Å; F232-C328 PolarHBondContact O-N 2.8Å; F232-I330 HydrophobicContact CE1-CD1 4.43Å; F232-I330 HydrophobicContact CE1-CG1 3.63Å; F232-I330 HydrophobicContact CZ-CG1 3.98Å; F232-V371 HydrophobicContact CE1-CG2 4.42Å; F232-V371 HydrophobicContact CE2-CG2 4.46Å; F232-V371 HydrophobicContact CZ-CG2 3.6Å
233H98.4Very high96.6Very high13 Ų1337.3 Ų37.36%0.0619%0.191CC..EExtended strand (participates in β ladder)trans-122142.6177.6-63.477.9000110.5G224 S225 A325 I326G224-H233 PolarHBondContact N-O 3.28Å; S225-H233 PolarHBondContact N-O 2.94Å; S225-H233 PolarHBondContact O-N 3.45Å; S225-H233 PolarHBondContact OG-ND1 2.84Å; H233-A325 HydrophobicContact CB-CB 4.26Å; H233-I326 CarbonylContact C-O 3.51Å; H233-I326 VanDerWaalsContact CA-O 3.27Å; H233-I326 WeakPolarHBondContact CA-O 3.49Å
234V98.4Very high96.5Very high0 Ų042.1 Ų42.10%021%0.214CC..EExtended strand (participates in β ladder)trans-126148.1175.1-56.70000110.7V221 Y222 I223 F232 F236 A325 I326 C328V221-V234 HydrophobicContact CB-CB 4.04Å; V221-V234 HydrophobicContact CB-CG2 4.46Å; V221-V234 HydrophobicContact CG1-CB 4.38Å; V221-V234 HydrophobicContact CG1-CG2 4.26Å; V221-V234 HydrophobicContact CG2-CB 4.13Å; V221-V234 HydrophobicContact CG2-CG1 4.15Å; Y222-V234 CarbonylContact O-C 3.52Å; Y222-V234 WeakPolarHBondContact O-CA 3.45Å; I223-V234 HydrophobicContact CD1-CG1 4.05Å; F232-V234 HydrophobicContact CD2-CG1 3.71Å; F232-V234 HydrophobicContact CE2-CG1 3.5Å; F232-V234 VanDerWaalsContact CE2-CG1 3.5Å; V234-F236 HydrophobicContact CG2-CD2 4.4Å; V234-F236 HydrophobicContact CG2-CE2 4.11Å; V234-A325 WeakPolarHBondContact O-CA 3.13Å; V234-I326 HydrophobicContact CG2-CB 4.25Å; V234-I326 PolarHBondContact N-O 3.44Å; V234-I326 PolarHBondContact O-N 3.26Å; V234-C328 VanDerWaalsContact CG2-SG 3.56Å
235V98.2Very high96.5Very high13 Ų1343.9 Ų43.98%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-112118.5169.5-176.70000107.4V221 Y222 A237 D299 A325V221-V235 CarbonylContact C-O 3.43Å; V221-V235 WeakPolarHBondContact CA-O 3.39Å; Y222-V235 PolarHBondContact N-O 3.38Å; Y222-V235 PolarHBondContact O-N 2.91Å; V235-A237 PolarHBondContact O-N 3.11Å; V235-D299 WeakPolarHBondContact CG2-O 3.13Å; V235-A325 HydrophobicContact CG2-CB 4.42Å
236F98.2Very high96.5Very high2 Ų243.4 Ų43.41%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-63.3133.1177.9-79.2-106.8000110.1F213 H219 V221 V234 K238 C239 I326 V358 F360 L369F213-F236 HydrophobicContact CB-CE1 4.43Å; F213-F236 AromaticContact CD1-CD1 3.48Å; F213-F236 HydrophobicContact CD1-CD1 3.48Å; F213-F236 VanDerWaalsContact CD1-CD1 3.48Å; F213-F236 AromaticContact CD1-CE1 3.77Å; F213-F236 HydrophobicContact CD1-CE1 3.77Å; F213-F236 HydrophobicContact CD1-CG 4.1Å; F213-F236 HydrophobicContact CD2-CD1 4.26Å; F213-F236 HydrophobicContact CD2-CD2 4.41Å; F213-F236 HydrophobicContact CD2-CE1 4.22Å; F213-F236 HydrophobicContact CD2-CE2 4.39Å; F213-F236 HydrophobicContact CD2-CG 4.35Å; F213-F236 HydrophobicContact CD2-CZ 4.29Å; F213-F236 HydrophobicContact CE1-CB 3.57Å; F213-F236 AromaticContact CE1-CD1 3.31Å; F213-F236 HydrophobicContact CE1-CD1 3.31Å; F213-F236 HydrophobicContact CE1-CD2 4.42Å; F213-F236 HydrophobicContact CE1-CE1 4.07Å; F213-F236 AromaticContact CE1-CG 3.52Å; F213-F236 HydrophobicContact CE1-CG 3.52Å; F213-F236 HydrophobicContact CE2-CB 4.18Å; F213-F236 HydrophobicContact CE2-CD1 4.11Å; F213-F236 AromaticContact CE2-CD2 3.9Å; F213-F236 HydrophobicContact CE2-CD2 3.9Å; F213-F236 HydrophobicContact CE2-CE1 4.47Å; F213-F236 HydrophobicContact CE2-CE2 4.3Å; F213-F236 AromaticContact CE2-CG 3.8Å; F213-F236 HydrophobicContact CE2-CG 3.8Å; F213-F236 AromaticContact CG-CD1 3.99Å; F213-F236 HydrophobicContact CG-CD1 3.99Å; F213-F236 AromaticContact CG-CE1 3.88Å; F213-F236 HydrophobicContact CG-CE1 3.88Å; F213-F236 HydrophobicContact CG-CZ 4.34Å; F213-F236 HydrophobicContact CZ-CB 3.34Å; F213-F236 AromaticContact CZ-CD1 3.66Å; F213-F236 HydrophobicContact CZ-CD1 3.66Å; F213-F236 AromaticContact CZ-CD2 3.92Å; F213-F236 HydrophobicContact CZ-CD2 3.92Å; F213-F236 HydrophobicContact CZ-CE1 4.42Å; F213-F236 AromaticContact CZ-CG 3.36Å; F213-F236 HydrophobicContact CZ-CG 3.36Å; H219-F236 HydrophobicContact CB-CD1 3.76Å; H219-F236 HydrophobicContact CB-CE1 3.56Å; H219-F236 AromaticContact CG-CE1 3.77Å; V221-F236 HydrophobicContact CG1-CD1 4.07Å; V221-F236 HydrophobicContact CG1-CD2 4.32Å; V221-F236 HydrophobicContact CG1-CE1 4.29Å; V221-F236 HydrophobicContact CG1-CG 4.09Å; V221-F236 HydrophobicContact CG1-CZ 4.5Å; V234-F236 HydrophobicContact CG2-CD2 4.4Å; V234-F236 HydrophobicContact CG2-CE2 4.11Å; F236-K238 PolarHBondContact O-N 3.27Å; F236-K238 VanDerWaalsContact O-N 3.15Å; F236-C239 WeakPolarHBondContact O-CB 3.3Å; F236-C239 PolarHBondContact O-N 3.14Å; F236-I326 HydrophobicContact CD2-CG1 4.08Å; F236-I326 HydrophobicContact CE2-CB 4.34Å; F236-I326 HydrophobicContact CE2-CG1 3.95Å; F236-V358 HydrophobicContact CE1-CG2 4.17Å; F236-V358 HydrophobicContact CZ-CG2 4.14Å; F236-F360 HydrophobicContact CE1-CE1 4.25Å; F236-F360 HydrophobicContact CZ-CE1 4.2Å; F236-L369 HydrophobicContact CE2-CD2 4.34Å; F236-L369 HydrophobicContact CZ-CD2 4.06Å
237A97.9Very high96.5Very high25 Ų2544.4 Ų44.421%0.20723%0.228CC..G310 helixtrans-59.6-31.4-17700000112Q220 Y222 V235 C239 K240Q220-A237 HydrophobicContact CB-CB 3.92Å; Q220-A237 VanDerWaalsContact O-CB 3.29Å; Q220-A237 WeakPolarHBondContact O-CB 3.47Å; Q220-A237 PolarHBondContact O-N 3.35Å; Y222-A237 HydrophobicContact CD2-CB 4.4Å; Y222-A237 HydrophobicContact CE2-CB 3.98Å; V235-A237 PolarHBondContact O-N 3.11Å; A237-C239 PolarHBondContact O-N 3.47Å; A237-K240 VanDerWaalsContact O-CB 3.28Å; A237-K240 WeakPolarHBondContact O-CB 3.36Å; A237-K240 PolarHBondContact O-N 2.89Å; A237-K240 VanDerWaalsContact O-N 3.1Å
238K97.3Very high96.7Very high118 Ų11839.7 Ų39.751%0.51322%0.219SC..G310 helixtrans-59.2-27.4173.2-66.5-174.3179.8178.50113I211 F213 F236 K240 P241I211-K238 HydrophobicContact CD1-CB 4.26Å; I211-K238 VanDerWaalsContact CD1-O 3.23Å; I211-K238 WeakPolarHBondContact CD1-O 3.39Å; I211-K238 HydrophobicContact CG2-CB 4.15Å; I211-K238 HydrophobicContact CG2-CD 4.36Å; F213-K238 HydrophobicContact CE1-CB 4.28Å; F213-K238 HydrophobicContact CE1-CD 4.29Å; F236-K238 PolarHBondContact O-N 3.27Å; F236-K238 VanDerWaalsContact O-N 3.15Å; K238-K240 VanDerWaalsContact C-N 3.34Å; K238-P241 WeakPolarHBondContact O-CD 3.5Å
239C97.3Very high96.8Very high2 Ų245.7 Ų45.71%0.01424%0.244CC..G310 helixtrans-82.6-7.4178.5-66.10000113.7F236 A237 L242 L243 L324F236-C239 WeakPolarHBondContact O-CB 3.3Å; F236-C239 PolarHBondContact O-N 3.14Å; A237-C239 PolarHBondContact O-N 3.47Å; C239-L242 WeakPolarHBondContact O-CB 3.02Å; C239-L242 PolarHBondContact O-N 3.37Å; C239-L242 VanDerWaalsContact O-N 3.08Å; C239-L243 PolarHBondContact O-N 2.82Å; C239-L324 HydrophobicContact CB-CD2 4.3Å
240K96Very high96.8Very high92 Ų9245.7 Ų45.740%0.424%0.244SC..Hα-helixtrans-57-45.1-176.5-179.2173.4173.3176.10113.4Y222 A237 K238 L242 L243 E244Y222-K240 HydrophobicContact CE2-CD 4.44Å; A237-K240 VanDerWaalsContact O-CB 3.28Å; A237-K240 WeakPolarHBondContact O-CB 3.36Å; A237-K240 PolarHBondContact O-N 2.89Å; A237-K240 VanDerWaalsContact O-N 3.1Å; K238-K240 VanDerWaalsContact C-N 3.34Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-L242 PolarHBondContact O-N 2.91Å; K240-L243 WeakPolarHBondContact O-CB 3.32Å; K240-L243 PolarHBondContact O-N 2.69Å; K240-E244 WeakPolarHBondContact CE-OE1 3.31Å; K240-E244 HydrophobicContact CG-CG 4.46Å; K240-E244 WeakPolarHBondContact CG-OE1 3.42Å; K240-E244 IonicContact NZ-OE1 3.02Å; K240-E244 WeakPolarHBondContact O-CG 3.48Å; K240-E244 PolarHBondContact O-N 3.07Å
241P96.4Very high96.9Very high82 Ų8245.7 Ų45.753%0.53224%0.242SC..Hα-helixtrans-63.1-33.9175.9-23.135.1000113.4K238 A245K238-P241 WeakPolarHBondContact O-CD 3.5Å; P241-A245 WeakPolarHBondContact O-CB 3.29Å; P241-A245 PolarHBondContact O-N 3.48Å; P241-A245 VanDerWaalsContact O-N 3.08Å
242L96.4Very high96.8Very high44 Ų4446.7 Ų46.723%0.2326%0.258CS..Hα-helixtrans-67.5-41.3175.4-63.7178.3000111.2A209 I211 C239 K240 L246 L321A209-L242 HydrophobicContact CB-CD1 3.99Å; A209-L242 HydrophobicContact CB-CD2 3.98Å; I211-L242 HydrophobicContact CD1-CD1 3.48Å; I211-L242 VanDerWaalsContact CD1-CD1 3.48Å; I211-L242 HydrophobicContact CD1-CG 4.2Å; C239-L242 WeakPolarHBondContact O-CB 3.02Å; C239-L242 PolarHBondContact O-N 3.37Å; C239-L242 VanDerWaalsContact O-N 3.08Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-L242 PolarHBondContact O-N 2.91Å; L242-L246 VanDerWaalsContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.37Å; L242-L246 PolarHBondContact O-N 3.37Å; L242-L321 HydrophobicContact CB-CD2 4.49Å; L242-L321 HydrophobicContact CD1-CD1 4.37Å
243L96.8Very high96.7Very high30 Ų3053.6 Ų53.616%0.15728%0.284CS..Hα-helixtrans-62.8-48.2176.4179.256.7000111.3C239 K240 A245 L246 E247 D299 L324C239-L243 PolarHBondContact O-N 2.82Å; K240-L243 WeakPolarHBondContact O-CB 3.32Å; K240-L243 PolarHBondContact O-N 2.69Å; L243-A245 PolarHBondContact O-N 3.45Å; L243-L246 WeakPolarHBondContact O-CB 3.28Å; L243-L246 PolarHBondContact O-N 2.91Å; L243-E247 HydrophobicContact CD1-CG 3.91Å; L243-E247 HydrophobicContact CG-CG 4.39Å; L243-E247 WeakPolarHBondContact O-CB 3.38Å; L243-E247 WeakPolarHBondContact O-CG 3.23Å; L243-E247 PolarHBondContact O-N 3.15Å; L243-D299 HydrophobicContact CD1-CB 3.77Å; L243-L324 HydrophobicContact CB-CD1 3.68Å; L243-L324 HydrophobicContact CD1-CD1 4.07Å; L243-L324 HydrophobicContact CG-CD1 4.42Å
244E96.5Very high96.4Very high103 Ų10353.3 Ų53.348%0.48128%0.282SS..Hα-helixtrans-60.1-45.2179-70.9169176.400111.6K240 L246 E247 A248K240-E244 WeakPolarHBondContact CE-OE1 3.31Å; K240-E244 HydrophobicContact CG-CG 4.46Å; K240-E244 WeakPolarHBondContact CG-OE1 3.42Å; K240-E244 IonicContact NZ-OE1 3.02Å; K240-E244 WeakPolarHBondContact O-CG 3.48Å; K240-E244 PolarHBondContact O-N 3.07Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-L246 PolarHBondContact O-N 2.72Å; E244-E247 PolarHBondContact O-N 2.99Å; E244-A248 PolarHBondContact O-N 2.94Å; E244-A248 VanDerWaalsContact O-N 3.09Å
245A96.8Very high95.9Very high51 Ų5156.9 Ų56.942%0.42131%0.307SS..Hα-helixtrans-65.1-37.3176.700000112.7P241 L243 K249P241-A245 WeakPolarHBondContact O-CB 3.29Å; P241-A245 PolarHBondContact O-N 3.48Å; P241-A245 VanDerWaalsContact O-N 3.08Å; L243-A245 PolarHBondContact O-N 3.45Å; A245-K249 WeakPolarHBondContact O-CG 3.27Å; A245-K249 PolarHBondContact O-N 3.2Å
246L97.1Very high95.1Very high14 Ų1463.5 Ų63.57%0.07334%0.342CS..Hα-helixtrans-65.9-49.3175.3172.971.7000111.2L242 L243 E244 A248 K249 L250 R283 D299 F318 L321L242-L246 VanDerWaalsContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.37Å; L242-L246 PolarHBondContact O-N 3.37Å; L243-L246 WeakPolarHBondContact O-CB 3.28Å; L243-L246 PolarHBondContact O-N 2.91Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-L246 PolarHBondContact O-N 2.72Å; L246-A248 VanDerWaalsContact C-N 3.3Å; L246-A248 PolarHBondContact O-N 2.84Å; L246-K249 PolarHBondContact O-N 2.97Å; L246-K249 VanDerWaalsContact O-N 3.14Å; L246-L250 HydrophobicContact CD1-CD1 4.27Å; L246-L250 HydrophobicContact CD1-CG 4.35Å; L246-L250 HydrophobicContact CD2-CD1 4.39Å; L246-L250 HydrophobicContact CG-CD1 3.92Å; L246-L250 HydrophobicContact CG-CG 4.42Å; L246-L250 WeakPolarHBondContact O-CG 3.34Å; L246-L250 PolarHBondContact O-N 3.08Å; L246-R283 HydrophobicContact CD2-CG 4.28Å; L246-R283 VanDerWaalsContact CD2-NE 3.27Å; L246-D299 WeakPolarHBondContact CD2-OD2 3.32Å; L246-F318 HydrophobicContact CD1-CD1 3.83Å; L246-L321 HydrophobicContact CB-CD2 4.47Å; L246-L321 HydrophobicContact CD2-CD2 4.19Å
247E95.8Very high94.2Very high48 Ų4865.4 Ų65.422%0.22436%0.356CS..Hα-helixtrans-60.9-39.7-178.2-75-175.5149.300111.6L243 E244 L250 Q251 K282L243-E247 HydrophobicContact CD1-CG 3.91Å; L243-E247 HydrophobicContact CG-CG 4.39Å; L243-E247 WeakPolarHBondContact O-CB 3.38Å; L243-E247 WeakPolarHBondContact O-CG 3.23Å; L243-E247 PolarHBondContact O-N 3.15Å; E244-E247 PolarHBondContact O-N 2.99Å; E247-L250 PolarHBondContact O-N 2.66Å; E247-Q251 VanDerWaalsContact O-CG 3.29Å; E247-Q251 WeakPolarHBondContact O-CG 3.37Å; E247-Q251 PolarHBondContact O-N 2.88Å; E247-Q251 PolarHBondContact O-NE2 3.31Å; E247-K282 IonicContact OE1-NZ 2.9Å; E247-K282 PolarHBondContact OE1-NZ 3.47Å
248A96.3Very high92.7Very high64 Ų6469.8 Ų69.853%0.52939%0.385SS..Hα-helixtrans-61.2-43.7174.200000112.4E244 L246 Q251 S252E244-A248 PolarHBondContact O-N 2.94Å; E244-A248 VanDerWaalsContact O-N 3.09Å; L246-A248 VanDerWaalsContact C-N 3.3Å; L246-A248 PolarHBondContact O-N 2.84Å; A248-Q251 PolarHBondContact O-N 3.44Å; A248-S252 PolarHBondContact O-N 3.49Å; A248-S252 VanDerWaalsContact O-N 3.1Å
249K96.2Very high91.5Very high140 Ų14071.7 Ų71.761%0.60940%0.396SS*.Hα-helixtrans-66.6-40.3176.7-69.3175.2-179.7-178.10112A245 L246 S252 W253 F318A245-K249 WeakPolarHBondContact O-CG 3.27Å; A245-K249 PolarHBondContact O-N 3.2Å; L246-K249 PolarHBondContact O-N 2.97Å; L246-K249 VanDerWaalsContact O-N 3.14Å; K249-S252 PolarHBondContact O-N 3.29Å; K249-W253 WeakPolarHBondContact O-CB 3.42Å; K249-W253 PolarHBondContact O-N 3.1Å; K249-F318 HydrophobicContact CB-CE1 3.79Å; K249-F318 HydrophobicContact CB-CZ 4.42Å
250L96.3Very high90.4Very high0 Ų073.9 Ų73.90%042%0.418CS..Hα-helixtrans-61.2-45.1175.6-73.8167.5000111.3L246 E247 S252 W253 Y254 W281 R283 L314 F318L246-L250 HydrophobicContact CD1-CD1 4.27Å; L246-L250 HydrophobicContact CD1-CG 4.35Å; L246-L250 HydrophobicContact CD2-CD1 4.39Å; L246-L250 HydrophobicContact CG-CD1 3.92Å; L246-L250 HydrophobicContact CG-CG 4.42Å; L246-L250 WeakPolarHBondContact O-CG 3.34Å; L246-L250 PolarHBondContact O-N 3.08Å; E247-L250 PolarHBondContact O-N 2.66Å; L250-S252 PolarHBondContact O-N 3.18Å; L250-W253 PolarHBondContact O-N 2.99Å; L250-Y254 HydrophobicContact CD2-CD2 4Å; L250-Y254 HydrophobicContact CD2-CE2 3.82Å; L250-Y254 WeakPolarHBondContact O-CB 3.31Å; L250-Y254 PolarHBondContact O-N 3.34Å; L250-W281 HydrophobicContact CB-CB 4.49Å; L250-R283 HydrophobicContact CD1-CG 3.68Å; L250-R283 HydrophobicContact CD2-CG 4.23Å; L250-L314 HydrophobicContact CD2-CD1 4.28Å; L250-F318 HydrophobicContact CD2-CB 4.31Å; L250-F318 HydrophobicContact CD2-CD1 3.64Å; L250-F318 HydrophobicContact CD2-CD2 3.88Å; L250-F318 HydrophobicContact CD2-CE1 3.84Å; L250-F318 HydrophobicContact CD2-CE2 4.11Å; L250-F318 HydrophobicContact CD2-CG 3.67Å; L250-F318 HydrophobicContact CD2-CZ 4.08Å; L250-F318 HydrophobicContact CG-CD1 4.08Å; L250-F318 HydrophobicContact CG-CE1 4.08Å
251Q95.3Very high89.5Confident45 Ų4570.2 Ų70.221%0.2140%0.403CS..Hα-helixtrans-59.6-48.9177.5-65.5-21.8-73.800110.4E247 A248 W253 S255 W281E247-Q251 VanDerWaalsContact O-CG 3.29Å; E247-Q251 WeakPolarHBondContact O-CG 3.37Å; E247-Q251 PolarHBondContact O-N 2.88Å; E247-Q251 PolarHBondContact O-NE2 3.31Å; A248-Q251 PolarHBondContact O-N 3.44Å; Q251-W253 VanDerWaalsContact C-N 3.28Å; Q251-W253 PolarHBondContact O-N 2.82Å; Q251-S255 VanDerWaalsContact O-CB 3.23Å; Q251-S255 WeakPolarHBondContact O-CB 3.21Å; Q251-S255 PolarHBondContact O-N 3.04Å; Q251-S255 VanDerWaalsContact O-N 3.09Å; Q251-S255 PolarHBondContact O-OG 3.07Å; Q251-W281 PolarHBondContact NE2-O 3.15Å
252S94.2Very high88.5Confident94 Ų9469.5 Ų69.566%0.65740%0.398SS*.Hα-helixtrans-62.1-34.6-179.9-1770000113.2A248 K249 L250A248-S252 PolarHBondContact O-N 3.49Å; A248-S252 VanDerWaalsContact O-N 3.1Å; K249-S252 PolarHBondContact O-N 3.29Å; L250-S252 PolarHBondContact O-N 3.18Å
253W94Very high87.4Confident145 Ų14572.9 Ų72.955%0.54941%0.411SS..Hα-helixtrans-81.7-40.2-176-171.9-93.3000113K249 L250 Q251 D315 F318K249-W253 WeakPolarHBondContact O-CB 3.42Å; K249-W253 PolarHBondContact O-N 3.1Å; L250-W253 PolarHBondContact O-N 2.99Å; Q251-W253 VanDerWaalsContact C-N 3.28Å; Q251-W253 PolarHBondContact O-N 2.82Å; W253-D315 WeakPolarHBondContact CZ2-OD2 3.37Å; W253-F318 HydrophobicContact CB-CE2 3.95Å; W253-F318 HydrophobicContact CB-CZ 3.73Å; W253-F318 AromaticContact CD1-CE2 3.68Å; W253-F318 HydrophobicContact CD2-CE2 4.25Å; W253-F318 HydrophobicContact CD2-CZ 4.49Å; W253-F318 AromaticContact CG-CE2 3.68Å; W253-F318 HydrophobicContact CG-CE2 3.68Å; W253-F318 AromaticContact CG-CZ 3.91Å; W253-F318 HydrophobicContact CG-CZ 3.91Å
254Y92.9Very high86.4Confident7 Ų776.8 Ų76.83%0.02743%0.429CS..Hα-helixtrans-98-11.5-171.4-75.4-75.9000114.9L250 D256 S257 C273 W281 K312 L313 L314 D315 F318L250-Y254 HydrophobicContact CD2-CD2 4Å; L250-Y254 HydrophobicContact CD2-CE2 3.82Å; L250-Y254 WeakPolarHBondContact O-CB 3.31Å; L250-Y254 PolarHBondContact O-N 3.34Å; Y254-D256 VanDerWaalsContact C-N 3.31Å; Y254-D256 PolarHBondContact O-N 3.15Å; Y254-S257 PolarHBondContact O-N 2.8Å; Y254-C273 HydrophobicContact CD1-CB 4.43Å; Y254-C273 HydrophobicContact CD2-CB 4.25Å; Y254-C273 HydrophobicContact CE1-CB 4.06Å; Y254-C273 HydrophobicContact CE2-CB 3.9Å; Y254-C273 HydrophobicContact CG-CB 4.5Å; Y254-W281 HydrophobicContact CG-CD2 4.46Å; Y254-W281 PolarHBondContact O-NE1 2.78Å; Y254-K312 HydrophobicContact CD1-CB 4.18Å; Y254-K312 HydrophobicContact CD1-CD 3.56Å; Y254-K312 HydrophobicContact CE1-CB 3.96Å; Y254-K312 HydrophobicContact CE1-CD 4.14Å; Y254-K312 PolarHBondContact O-NZ 3.26Å; Y254-L313 WeakPolarHBondContact CE1-O 3.43Å; Y254-L313 PolarHBondContact OH-O 3.35Å; Y254-L314 HydrophobicContact CE2-CD1 4.4Å; Y254-L314 VanDerWaalsContact OH-CA 3.24Å; Y254-L314 WeakPolarHBondContact OH-CA 3.45Å; Y254-D315 PolarHBondContact OH-N 2.63Å; Y254-F318 HydrophobicContact CD2-CE2 4.48Å; Y254-F318 AromaticContact CE2-CD2 3.95Å; Y254-F318 HydrophobicContact CE2-CD2 3.95Å; Y254-F318 AromaticContact CE2-CE2 3.78Å; Y254-F318 HydrophobicContact CE2-CE2 3.78Å
255S87.7Confident85.4Confident75 Ų7573.3 Ų73.352%0.52441%0.413SS..SBendtrans-62.5-36.5178.2-65.40000113Q251Q251-S255 VanDerWaalsContact O-CB 3.23Å; Q251-S255 WeakPolarHBondContact O-CB 3.21Å; Q251-S255 PolarHBondContact O-N 3.04Å; Q251-S255 VanDerWaalsContact O-N 3.09Å; Q251-S255 PolarHBondContact O-OG 3.07Å
256D82.5Confident84.5Confident153 Ų15372 Ų7282%0.81840%0.399SS*.SBendtrans-96.6-4.7-177.6-62.3-25.4000113.5Y254Y254-D256 VanDerWaalsContact C-N 3.31Å; Y254-D256 PolarHBondContact O-N 3.15Å
257S77.5Confident83.9Confident42 Ų4278.2 Ų78.229%0.29443%0.426SS..  trans-77.5133.3-178.4154.60000110.4Y254 K312Y254-S257 PolarHBondContact O-N 2.8Å; S257-K312 WeakPolarHBondContact O-CE 3.33Å; S257-K312 PolarHBondContact O-NZ 3.26Å; S257-K312 PolarHBondContact OG-NZ 3Å
258S67Low83.6Confident116 Ų11683.5 Ų83.581%0.81145%0.448SS*.  trans-106-13.217454.70000113.6G260S258-G260 PolarHBondContact O-N 3.04Å
259E72.7Confident83.3Confident159 Ų15982.2 Ų82.274%0.74344%0.441SS*.  trans-80.2114-175.1-66.2-179.4-17500111
260G74.9Confident83Confident47 Ų4775.9 Ų75.949%0.48541%0.414SS..PPolyproline II helixtrans-72.3171.2167.700000111.8S258S258-G260 PolarHBondContact O-N 3.04Å
261I75.9Confident82.9Confident16 Ų1676 Ų768%0.08242%0.415CS..PPolyproline II helixtrans-78.9129.5172.8-169.8160.2000110.4F263 L265 V266 T270 I311 L313I261-F263 PolarHBondContact O-N 2.91Å; I261-L265 HydrophobicContact CG1-CB 4.34Å; I261-V266 HydrophobicContact CB-CG2 4.17Å; I261-V266 HydrophobicContact CD1-CG2 3.51Å; I261-V266 HydrophobicContact CG1-CG2 3.57Å; I261-V266 HydrophobicContact CG2-CG2 3.52Å; I261-T270 HydrophobicContact CD1-CG2 4.12Å; I261-I311 HydrophobicContact CG2-CB 4.29Å; I261-I311 HydrophobicContact CG2-CG2 3.88Å; I261-I311 PolarHBondContact N-O 3.38Å; I261-L313 HydrophobicContact CD1-CB 4.22Å; I261-L313 HydrophobicContact CD1-CD1 3.72Å; I261-L313 HydrophobicContact CG1-CB 4.31Å; I261-L313 HydrophobicContact CG1-CD1 4.38Å
262P74.9Confident82.8Confident66 Ų6673.9 Ų73.943%0.42941%0.405SS..PPolyproline II helixtrans-56.1130.6168.1-24.732.7000110.6E264 L265P262-E264 PolarHBondContact O-N 2.86Å; P262-E264 VanDerWaalsContact O-N 3.16Å; P262-L265 HydrophobicContact CB-CD1 4.19Å; P262-L265 HydrophobicContact CB-CG 4.24Å; P262-L265 HydrophobicContact CG-CD1 3.99Å; P262-L265 WeakPolarHBondContact O-CB 3.5Å; P262-L265 PolarHBondContact O-N 2.93Å
263F73.7Confident82.8Confident116 Ų11669.4 Ų69.451%0.50937%0.374SS..G310 helixtrans-56.3-35.2-174.7176.2-96.2000112.2I261 L265 V266 W308I261-F263 PolarHBondContact O-N 2.91Å; F263-L265 PolarHBondContact O-N 3.47Å; F263-V266 PolarHBondContact O-N 3.33Å; F263-W308 HydrophobicContact CD2-CD2 4.15Å; F263-W308 AromaticContact CD2-CE2 3.83Å; F263-W308 HydrophobicContact CD2-CE3 4.18Å; F263-W308 AromaticContact CD2-CH2 3.58Å; F263-W308 HydrophobicContact CD2-CH2 3.58Å; F263-W308 AromaticContact CD2-CZ2 3.58Å; F263-W308 HydrophobicContact CD2-CZ2 3.58Å; F263-W308 AromaticContact CD2-CZ3 3.88Å; F263-W308 HydrophobicContact CD2-CZ3 3.88Å; F263-W308 AromaticContact CE2-CE2 3.82Å; F263-W308 AromaticContact CE2-CH2 3.6Å; F263-W308 HydrophobicContact CE2-CH2 3.6Å; F263-W308 AromaticContact CE2-CZ2 3.3Å; F263-W308 HydrophobicContact CE2-CZ2 3.3Å; F263-W308 HydrophobicContact CE2-CZ3 4.37Å
264E75.6Confident82.8Confident112 Ų11262.5 Ų62.552%0.52335%0.348SS..G310 helixtrans-64.4-25.1-178.4-59.273.4-158.100113P262 V266P262-E264 PolarHBondContact O-N 2.86Å; P262-E264 VanDerWaalsContact O-N 3.16Å; E264-V266 VanDerWaalsContact C-N 3.35Å
265L75.3Confident82.8Confident30 Ų3064.6 Ų64.616%0.15736%0.359CS..G310 helixtrans-83.4-14.3177.7-63.5-179.8000112.4A192 I194 I261 P262 F263 K267 T270A192-L265 HydrophobicContact CB-CD2 4.48Å; I194-L265 HydrophobicContact CD1-CB 4.25Å; I194-L265 WeakPolarHBondContact CD1-O 3.31Å; I261-L265 HydrophobicContact CG1-CB 4.34Å; P262-L265 HydrophobicContact CB-CD1 4.19Å; P262-L265 HydrophobicContact CB-CG 4.24Å; P262-L265 HydrophobicContact CG-CD1 3.99Å; P262-L265 WeakPolarHBondContact O-CB 3.5Å; P262-L265 PolarHBondContact O-N 2.93Å; F263-L265 PolarHBondContact O-N 3.47Å; L265-K267 PolarHBondContact O-N 3.01Å; L265-K267 VanDerWaalsContact O-N 3.08Å; L265-T270 PolarHBondContact O-OG1 3.21Å
266V78.4Confident82.9Confident22 Ų2262 Ų6213%0.13334%0.339CS..  trans-87.587.4-173.8-177.80000111.3I261 F263 E264 V286 T293 W308I261-V266 HydrophobicContact CB-CG2 4.17Å; I261-V266 HydrophobicContact CD1-CG2 3.51Å; I261-V266 HydrophobicContact CG1-CG2 3.57Å; I261-V266 HydrophobicContact CG2-CG2 3.52Å; F263-V266 PolarHBondContact O-N 3.33Å; E264-V266 VanDerWaalsContact C-N 3.35Å; V266-V286 HydrophobicContact CG1-CB 4.28Å; V266-V286 HydrophobicContact CG1-CG1 3.79Å; V266-V286 HydrophobicContact CG1-CG2 3.65Å; V266-T293 HydrophobicContact CG1-CG2 4.19Å; V266-W308 HydrophobicContact CB-CH2 3.91Å; V266-W308 HydrophobicContact CB-CZ3 3.51Å; V266-W308 HydrophobicContact CG1-CH2 3.63Å; V266-W308 HydrophobicContact CG1-CZ3 3.43Å; V266-W308 VanDerWaalsContact CG1-CZ3 3.43Å; V266-W308 HydrophobicContact CG2-CE3 4.48Å; V266-W308 HydrophobicContact CG2-CZ3 3.66Å
267K84.6Confident83.1Confident146 Ų14660.7 Ų60.764%0.63533%0.327SS*.  trans-109.3156.7172.1-63.3175.6-174.5171.70110.2L265 G269 T270L265-K267 PolarHBondContact O-N 3.01Å; L265-K267 VanDerWaalsContact O-N 3.08Å; K267-G269 PolarHBondContact O-N 2.87Å; K267-T270 PolarHBondContact N-OG1 3.16Å; K267-T270 VanDerWaalsContact N-OG1 3.15Å; K267-T270 WeakPolarHBondContact O-CB 3.37Å; K267-T270 PolarHBondContact O-N 2.87Å; K267-T270 PolarHBondContact O-OG1 3.47Å
268K89.5Confident83.6Confident159 Ų15963.2 Ų63.269%0.69133%0.333SS*.THydrogen-bonded Turntrans-50130.7170.3-179.8174.9-174.7174.90110.1V286 E287K268-V286 CarbonylContact C-O 3.56Å; K268-V286 WeakPolarHBondContact CA-O 3.37Å; K268-E287 VanDerWaalsContact CD-O 3.25Å; K268-E287 WeakPolarHBondContact CD-O 3.33Å; K268-E287 WeakPolarHBondContact CE-O 3.42Å; K268-E287 WeakPolarHBondContact CG-O 3.34Å
269G90.2Very high84.7Confident37 Ų3761.8 Ų61.838%0.38132%0.323SS..THydrogen-bonded Turntrans92.3-7.2-175.800000114.9K267 P271 V286K267-G269 PolarHBondContact O-N 2.87Å; G269-P271 VanDerWaalsContact O-CD 3.24Å; G269-P271 WeakPolarHBondContact O-CD 3.25Å; G269-V286 PolarHBondContact N-O 2.81Å
270T90.5Very high85.7Confident7 Ų756.7 Ų56.74%0.04330%0.3CS..  trans-67.2120.7178.3-59.60000110.7I194 I261 L265 K267 V286I194-T270 HydrophobicContact CD1-CG2 3.79Å; I194-T270 HydrophobicContact CG2-CG2 4.17Å; I261-T270 HydrophobicContact CD1-CG2 4.12Å; L265-T270 PolarHBondContact O-OG1 3.21Å; K267-T270 PolarHBondContact N-OG1 3.16Å; K267-T270 VanDerWaalsContact N-OG1 3.15Å; K267-T270 WeakPolarHBondContact O-CB 3.37Å; K267-T270 PolarHBondContact O-N 2.87Å; K267-T270 PolarHBondContact O-OG1 3.47Å; T270-V286 PolarHBondContact O-N 2.77Å
271P93.9Very high86.6Confident3 Ų355 Ų552%0.01928%0.28CS..EExtended strand (participates in β ladder)trans-64.8132.4168-24.339.2000111I194 Y197 G269 L314 M319I194-P271 VanDerWaalsContact CG2-CD 3.47Å; I194-P271 HydrophobicContact CG2-CG 4.49Å; Y197-P271 HydrophobicContact CD2-CB 4.06Å; Y197-P271 HydrophobicContact CD2-CG 3.82Å; Y197-P271 HydrophobicContact CE1-CB 4.46Å; Y197-P271 HydrophobicContact CE2-CB 3.49Å; Y197-P271 VanDerWaalsContact CE2-CB 3.49Å; Y197-P271 HydrophobicContact CE2-CG 3.74Å; G269-P271 VanDerWaalsContact O-CD 3.24Å; G269-P271 WeakPolarHBondContact O-CD 3.25Å; P271-L314 HydrophobicContact CB-CB 4.24Å; P271-L314 HydrophobicContact CB-CD2 4Å; P271-M319 HydrophobicContact CB-CG 4.45Å; P271-M319 HydrophobicContact CB-SD 3.63Å; P271-M319 HydrophobicContact CG-SD 3.69Å
272C93.3Very high87.6Confident0 Ų056.7 Ų56.70%029%0.286CS..EExtended strand (participates in β ladder)trans-140.2167.1178.761.30000110.9A284 I311 K312C272-A284 PolarHBondContact N-O 3.22Å; C272-A284 PolarHBondContact O-N 3.01Å; C272-A284 VanDerWaalsContact O-O 3.1Å; C272-I311 HydrophobicContact CB-CG2 3.7Å; C272-K312 CarbonylContact C-O 3.59Å; C272-K312 WeakPolarHBondContact CA-O 3.34Å; C272-K312 WeakPolarHBondContact CB-O 3.44Å
273C94.1Very high88.6Confident0 Ų053.5 Ų53.50%027%0.266CS..EExtended strand (participates in β ladder)trans-109.3128.7166.8-167.30000108.3Y254 K282 I311 K312 L314Y254-C273 HydrophobicContact CD1-CB 4.43Å; Y254-C273 HydrophobicContact CD2-CB 4.25Å; Y254-C273 HydrophobicContact CE1-CB 4.06Å; Y254-C273 HydrophobicContact CE2-CB 3.9Å; Y254-C273 HydrophobicContact CG-CB 4.5Å; C273-K282 CarbonylContact C-O 3.59Å; C273-K282 WeakPolarHBondContact CA-O 3.37Å; C273-K282 PolarHBondContact SG-O 2.9Å; C273-K282 VanDerWaalsContact SG-O 3.35Å; C273-I311 WeakPolarHBondContact O-CA 3.34Å; C273-K312 PolarHBondContact N-O 3.32Å; C273-K312 PolarHBondContact O-N 2.87Å; C273-L314 HydrophobicContact CB-CD1 3.99Å
274A93.4Very high89.7Confident0 Ų048 Ų480%024%0.241CC..EExtended strand (participates in β ladder)trans-123.5138.4-179.100000110.8K282 A284 I295 F297 K310 I311A274-K282 PolarHBondContact N-O 2.99Å; A274-K282 PolarHBondContact O-N 3.16Å; A274-A284 HydrophobicContact CB-CB 4.14Å; A274-I295 HydrophobicContact CB-CD1 3.29Å; A274-F297 HydrophobicContact CB-CE1 3.99Å; A274-F297 HydrophobicContact CB-CZ 4.38Å; A274-K310 VanDerWaalsContact CA-O 3.31Å; A274-K310 WeakPolarHBondContact CA-O 3.21Å; A274-I311 HydrophobicContact CB-CG1 4.5Å
275M92.6Very high90.6Very high51 Ų5144.8 Ų44.825%0.25123%0.227SC..EExtended strand (participates in β ladder)trans-82.9123173.6-172.9-176.6-65.200109.3W281 Y306 K310M275-W281 HydrophobicContact CB-CD2 4.2Å; M275-W281 HydrophobicContact CB-CE3 3.89Å; M275-W281 HydrophobicContact CB-CH2 3.97Å; M275-W281 HydrophobicContact CB-CZ2 4.33Å; M275-W281 HydrophobicContact CB-CZ3 3.77Å; M275-W281 HydrophobicContact CE-CD2 4.27Å; M275-W281 VanDerWaalsContact CE-CE2 3.42Å; M275-W281 HydrophobicContact CE-CH2 3.78Å; M275-W281 HydrophobicContact CE-CZ2 3.15Å; M275-Y306 WeakPolarHBondContact O-CE1 3.16Å; M275-K310 PolarHBondContact N-O 3.42Å
276N89.7Confident91.4Very high21 Ų2143.5 Ų43.511%0.11222%0.22CC..  trans-78.7178.7178.677.4-1.2000113K278 S279 I280 K282 F297 Y306N276-K278 PolarHBondContact O-N 3.36Å; N276-K278 VanDerWaalsContact O-N 3.09Å; N276-K278 WeakPolarHBondContact OD1-CA 3.36Å; N276-K278 WeakPolarHBondContact OD1-CB 3.48Å; N276-K278 PolarHBondContact OD1-N 2.83Å; N276-S279 PolarHBondContact O-N 3.49Å; N276-S279 PolarHBondContact OD1-N 2.77Å; N276-I280 PolarHBondContact N-O 2.98Å; N276-I280 WeakPolarHBondContact OD1-CB 3.46Å; N276-I280 PolarHBondContact OD1-N 3.18Å; N276-I280 PolarHBondContact OD1-O 3.11Å; N276-K282 VanDerWaalsContact ND2-CE 3.3Å; N276-K282 WeakPolarHBondContact ND2-CE 3.43Å; N276-F297 HydrophobicContact CB-CZ 4.16Å; N276-Y306 WeakPolarHBondContact CA-OH 3.37Å
277H86.7Confident92Very high124 Ų12444 Ų4457%0.57422%0.221SC*.THydrogen-bonded Turntrans-61.8-13.9177.268.7-83.7000115.2R304H277-R304 PolarHBondContact ND1-NH1 2.72Å
278K88.4Confident92.2Very high96 Ų9638.1 Ų38.142%0.41720%0.202SC..THydrogen-bonded Turntrans-97.312.4174.4-64.2-169.1169.6-161.20112.4N276 I280 L471 P472N276-K278 PolarHBondContact O-N 3.36Å; N276-K278 VanDerWaalsContact O-N 3.09Å; N276-K278 WeakPolarHBondContact OD1-CA 3.36Å; N276-K278 WeakPolarHBondContact OD1-CB 3.48Å; N276-K278 PolarHBondContact OD1-N 2.83Å; K278-I280 VanDerWaalsContact C-N 3.26Å; K278-I280 HydrophobicContact CB-CD1 4.01Å; K278-I280 HydrophobicContact CB-CG1 4.15Å; K278-I280 HydrophobicContact CD-CD1 4.41Å; K278-I280 PolarHBondContact O-N 3.31Å; K278-L471 PolarHBondContact NZ-O 3.43Å; K278-P472 PolarHBondContact NZ-O 3.32Å; K278-P472 PolarHBondContact NZ-OXT 3.34Å
279S90Very high91.4Very high86 Ų8633.2 Ų33.260%0.60120%0.197SC*.SBendtrans61.330.1-175.3-52.50000114.4N276N276-S279 PolarHBondContact O-N 3.49Å; N276-S279 PolarHBondContact OD1-N 2.77Å
280I93.1Very high90.4Very high51 Ų5136 Ų3626%0.26221%0.21SC..  trans-106.2126.4179.1-58.6172.9000109.2N276 K278 K282N276-I280 PolarHBondContact N-O 2.98Å; N276-I280 WeakPolarHBondContact OD1-CB 3.46Å; N276-I280 PolarHBondContact OD1-N 3.18Å; N276-I280 PolarHBondContact OD1-O 3.11Å; K278-I280 VanDerWaalsContact C-N 3.26Å; K278-I280 HydrophobicContact CB-CD1 4.01Å; K278-I280 HydrophobicContact CB-CG1 4.15Å; K278-I280 HydrophobicContact CD-CD1 4.41Å; K278-I280 PolarHBondContact O-N 3.31Å; I280-K282 HydrophobicContact CG2-CG 4.36Å
281W94.9Very high89.4Confident13 Ų1345.6 Ų45.65%0.04925%0.246CC..EExtended strand (participates in β ladder)trans-71.5127.4174.5-68.4106.7000111.3L250 Q251 Y254 M275 K312L250-W281 HydrophobicContact CB-CB 4.49Å; Q251-W281 PolarHBondContact NE2-O 3.15Å; Y254-W281 HydrophobicContact CG-CD2 4.46Å; Y254-W281 PolarHBondContact O-NE1 2.78Å; M275-W281 HydrophobicContact CB-CD2 4.2Å; M275-W281 HydrophobicContact CB-CE3 3.89Å; M275-W281 HydrophobicContact CB-CH2 3.97Å; M275-W281 HydrophobicContact CB-CZ2 4.33Å; M275-W281 HydrophobicContact CB-CZ3 3.77Å; M275-W281 HydrophobicContact CE-CD2 4.27Å; M275-W281 VanDerWaalsContact CE-CE2 3.42Å; M275-W281 HydrophobicContact CE-CH2 3.78Å; M275-W281 HydrophobicContact CE-CZ2 3.15Å; W281-K312 HydrophobicContact CH2-CD 3.5Å; W281-K312 VanDerWaalsContact CH2-CD 3.5Å; W281-K312 HydrophobicContact CH2-CG 3.91Å; W281-K312 HydrophobicContact CZ2-CD 4.01Å; W281-K312 HydrophobicContact CZ3-CD 3.77Å; W281-K312 HydrophobicContact CZ3-CG 3.92Å
282K96.1Very high88.6Confident50 Ų5048 Ų4822%0.21726%0.262CS..EExtended strand (participates in β ladder)trans-133.5154.7178.3-66.9-178.4-179.8-950110.7E247 C273 A274 N276 I280 F297E247-K282 IonicContact OE1-NZ 2.9Å; E247-K282 PolarHBondContact OE1-NZ 3.47Å; C273-K282 CarbonylContact C-O 3.59Å; C273-K282 WeakPolarHBondContact CA-O 3.37Å; C273-K282 PolarHBondContact SG-O 2.9Å; C273-K282 VanDerWaalsContact SG-O 3.35Å; A274-K282 PolarHBondContact N-O 2.99Å; A274-K282 PolarHBondContact O-N 3.16Å; N276-K282 VanDerWaalsContact ND2-CE 3.3Å; N276-K282 WeakPolarHBondContact ND2-CE 3.43Å; I280-K282 HydrophobicContact CG2-CG 4.36Å; K282-F297 HydrophobicContact CB-CD1 3.59Å; K282-F297 HydrophobicContact CB-CE1 3.76Å; K282-F297 HydrophobicContact CD-CD1 4.11Å; K282-F297 HydrophobicContact CD-CE1 4.3Å; K282-F297 HydrophobicContact CG-CD1 4.48Å
283R97Very high88Confident0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-71.1139.5171.8-56.5-167.4-58.2173.1-1.7110.1L246 L250 F297 V298 D299 L314 F318 L321 P322L246-R283 HydrophobicContact CD2-CG 4.28Å; L246-R283 VanDerWaalsContact CD2-NE 3.27Å; L250-R283 HydrophobicContact CD1-CG 3.68Å; L250-R283 HydrophobicContact CD2-CG 4.23Å; R283-F297 WeakPolarHBondContact O-CA 3.38Å; R283-V298 HydrophobicContact CB-CG2 3.58Å; R283-V298 PolarHBondContact O-N 3.05Å; R283-D299 IonicContact CZ-OD1 3.57Å; R283-D299 IonicContact CZ-OD2 3.22Å; R283-D299 IonicContact NE-OD1 2.76Å; R283-D299 IonicContact NE-OD2 2.72Å; R283-D299 PolarHBondContact NE-OD2 3.16Å; R283-D299 IonicContact NH2-OD1 2.79Å; R283-D299 PolarHBondContact NH2-OD1 3.38Å; R283-D299 IonicContact NH2-OD2 3.5Å; R283-D299 PolarHBondContact NH2-OD2 3.47Å; R283-L314 HydrophobicContact CG-CD1 4.23Å; R283-L314 HydrophobicContact CG-CD2 4.43Å; R283-F318 WeakPolarHBondContact CD-O 3.29Å; R283-F318 PolarHBondContact NH1-O 3.4Å; R283-L321 PolarHBondContact NH1-O 3Å; R283-P322 PolarHBondContact NH2-O 2.85Å
284A96.2Very high87.9Confident0 Ų050.7 Ų50.70%027%0.274CS..EExtended strand (participates in β ladder)trans-142.9169.8179.600000111.6Y197 C272 A274 I295 R296 F297Y197-A284 PolarHBondContact OH-N 3.26Å; Y197-A284 PolarHBondContact OH-O 3.32Å; C272-A284 PolarHBondContact N-O 3.22Å; C272-A284 PolarHBondContact O-N 3.01Å; C272-A284 VanDerWaalsContact O-O 3.1Å; A274-A284 HydrophobicContact CB-CB 4.14Å; A284-I295 HydrophobicContact CB-CB 4.32Å; A284-I295 HydrophobicContact CB-CD1 3.98Å; A284-R296 CarbonylContact C-O 3.59Å; A284-R296 WeakPolarHBondContact CA-O 3.24Å; A284-R296 WeakPolarHBondContact CB-O 3.44Å; A284-F297 HydrophobicContact CB-CD1 4.27Å
285M94.8Very high88Confident44 Ų4450.7 Ų50.722%0.21727%0.274CS..EExtended strand (participates in β ladder)trans-133.6137.9172.7-176.7176.8-66.400108.7Y197 E287 I295 R296 V298Y197-M285 HydrophobicContact CD2-CE 3.38Å; Y197-M285 HydrophobicContact CE2-CB 4.4Å; Y197-M285 HydrophobicContact CE2-CE 3.67Å; M285-E287 PolarHBondContact O-N 3.4Å; M285-I295 CarbonylContact O-C 3.55Å; M285-I295 VanDerWaalsContact O-CA 3.25Å; M285-I295 WeakPolarHBondContact O-CA 3.49Å; M285-R296 PolarHBondContact N-O 3.39Å; M285-R296 PolarHBondContact O-N 2.85Å; M285-V298 HydrophobicContact CB-CG1 3.7Å
286V92.5Very high88.1Confident3 Ų351.2 Ų51.22%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-74.3122.3176.5177.10000109.1V266 K268 G269 T270 T293 I295V266-V286 HydrophobicContact CG1-CB 4.28Å; V266-V286 HydrophobicContact CG1-CG1 3.79Å; V266-V286 HydrophobicContact CG1-CG2 3.65Å; K268-V286 CarbonylContact C-O 3.56Å; K268-V286 WeakPolarHBondContact CA-O 3.37Å; G269-V286 PolarHBondContact N-O 2.81Å; T270-V286 PolarHBondContact O-N 2.77Å; V286-T293 HydrophobicContact CB-CG2 4.44Å; V286-T293 HydrophobicContact CG1-CG2 3.84Å; V286-T293 HydrophobicContact CG2-CG2 4.02Å; V286-I295 HydrophobicContact CG2-CG2 4.48Å
287E91.7Very high88.5Confident33 Ų3350.4 Ų50.415%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-97.2-26.8178.2-69.6-63.6143.200112.1K268 M285 F294 R296K268-E287 VanDerWaalsContact CD-O 3.25Å; K268-E287 WeakPolarHBondContact CD-O 3.33Å; K268-E287 WeakPolarHBondContact CE-O 3.42Å; K268-E287 WeakPolarHBondContact CG-O 3.34Å; M285-E287 PolarHBondContact O-N 3.4Å; E287-F294 HydrophobicContact CB-CD1 3.34Å; E287-F294 HydrophobicContact CB-CE1 3.8Å; E287-F294 HydrophobicContact CB-CG 4.23Å; E287-F294 HydrophobicContact CG-CD1 4.2Å; E287-F294 HydrophobicContact CG-CE1 4.25Å; E287-F294 PolarHBondContact N-O 3.23Å; E287-R296 VanDerWaalsContact CD-NH1 3.34Å; E287-R296 HydrophobicContact CG-CB 3.92Å; E287-R296 IonicContact OE1-CZ 2.8Å; E287-R296 IonicContact OE1-NE 2.69Å; E287-R296 IonicContact OE1-NH1 3.6Å; E287-R296 PolarHBondContact OE1-NH1 3.22Å; E287-R296 IonicContact OE1-NH2 3.28Å; E287-R296 PolarHBondContact OE1-NH2 3.5Å; E287-R296 IonicContact OE2-CZ 2.68Å; E287-R296 IonicContact OE2-NH1 3.85Å; E287-R296 IonicContact OE2-NH2 3.29Å; E287-R296 PolarHBondContact OE2-NH2 2.79Å
288G87.1Confident89Confident23 Ų2344.9 Ų44.924%0.23724%0.244CC..EExtended strand (participates in β ladder)trans160-165.8176.900000112.4F294G288-F294 PolarHBondContact N-O 2.82Å; G288-F294 WeakPolarHBondContact O-CA 3.47Å; G288-F294 WeakPolarHBondContact O-CB 3.27Å; G288-F294 PolarHBondContact O-N 2.9Å
289G73.2Confident89.5Confident56 Ų5641 Ų4158%0.57723%0.227SC*.  trans110.9147.9178.300000113.2C292G289-C292 WeakPolarHBondContact CA-O 3.43Å
290S69.2Low89.8Confident95 Ų9538.2 Ų38.266%0.66421%0.208SC*.SBendtrans-107.6-56.5179.656.80000111.5
291R69Low89.9Confident208 Ų20835.9 Ų35.979%0.78520%0.196SC*.SBendtrans-87.6-47.5179.7-65.9-175.4178.7-176.50.6112.6W308R291-W308 PolarHBondContact O-NE1 2.93Å
292C76.9Confident89.9Confident54 Ų5438.4 Ų38.437%0.36521%0.209SC..SBendtrans-111.1143.5172.5-58.40000108.6G289 F294 Y305G289-C292 WeakPolarHBondContact CA-O 3.43Å; C292-F294 PolarHBondContact O-N 2.76Å; C292-Y305 HydrophobicContact CB-CD1 4.1Å
293T82.5Confident89.8Confident1 Ų138.9 Ų38.91%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-86.5117.5179.2-50.60000109V266 V286 I295 Y305 Y306 W308 I311V266-T293 HydrophobicContact CG1-CG2 4.19Å; V286-T293 HydrophobicContact CB-CG2 4.44Å; V286-T293 HydrophobicContact CG1-CG2 3.84Å; V286-T293 HydrophobicContact CG2-CG2 4.02Å; T293-I295 HydrophobicContact CG2-CG2 3.56Å; T293-I295 PolarHBondContact O-N 3.46Å; T293-Y305 WeakPolarHBondContact O-CA 3.3Å; T293-Y306 PolarHBondContact N-O 3.17Å; T293-Y306 PolarHBondContact O-N 2.9Å; T293-W308 HydrophobicContact CG2-CH2 4.47Å; T293-W308 WeakPolarHBondContact OG1-CH2 3.32Å; T293-W308 WeakPolarHBondContact OG1-CZ2 3.4Å; T293-W308 WeakPolarHBondContact OG1-CZ3 3.5Å; T293-I311 VanDerWaalsContact CB-CD1 3.48Å; T293-I311 HydrophobicContact CG2-CD1 3.84Å
294F92.1Very high89.6Confident56 Ų5643 Ų4325%0.24623%0.232CC..EExtended strand (participates in β ladder)trans-79117.1168-173-125.4000108.4E287 G288 C292 T303 Y305E287-F294 HydrophobicContact CB-CD1 3.34Å; E287-F294 HydrophobicContact CB-CE1 3.8Å; E287-F294 HydrophobicContact CB-CG 4.23Å; E287-F294 HydrophobicContact CG-CD1 4.2Å; E287-F294 HydrophobicContact CG-CE1 4.25Å; E287-F294 PolarHBondContact N-O 3.23Å; G288-F294 PolarHBondContact N-O 2.82Å; G288-F294 WeakPolarHBondContact O-CA 3.47Å; G288-F294 WeakPolarHBondContact O-CB 3.27Å; G288-F294 PolarHBondContact O-N 2.9Å; C292-F294 PolarHBondContact O-N 2.76Å; F294-T303 VanDerWaalsContact CZ-CB 3.47Å; F294-T303 HydrophobicContact CZ-CG2 3.96Å; F294-Y305 HydrophobicContact CB-CD1 3.97Å; F294-Y305 HydrophobicContact CB-CE1 3.7Å; F294-Y305 HydrophobicContact CD2-CD1 4.12Å; F294-Y305 HydrophobicContact CD2-CD2 4.17Å; F294-Y305 AromaticContact CD2-CE1 3.91Å; F294-Y305 HydrophobicContact CD2-CE1 3.91Å; F294-Y305 AromaticContact CD2-CE2 3.95Å; F294-Y305 HydrophobicContact CD2-CE2 3.95Å; F294-Y305 HydrophobicContact CD2-CG 4.25Å; F294-Y305 AromaticContact CD2-CZ 3.82Å; F294-Y305 HydrophobicContact CE2-CE2 4.32Å; F294-Y305 HydrophobicContact CG-CD1 4.5Å; F294-Y305 HydrophobicContact CG-CE1 4.1Å
295I93.9Very high89.4Confident0 Ų050.8 Ų50.80%026%0.262CS..EExtended strand (participates in β ladder)trans-122.2153.8-178.368.1174.1000111.1A274 A284 M285 V286 T293 F297 T303 R304 Y306 I311A274-I295 HydrophobicContact CB-CD1 3.29Å; A284-I295 HydrophobicContact CB-CB 4.32Å; A284-I295 HydrophobicContact CB-CD1 3.98Å; M285-I295 CarbonylContact O-C 3.55Å; M285-I295 VanDerWaalsContact O-CA 3.25Å; M285-I295 WeakPolarHBondContact O-CA 3.49Å; V286-I295 HydrophobicContact CG2-CG2 4.48Å; T293-I295 HydrophobicContact CG2-CG2 3.56Å; T293-I295 PolarHBondContact O-N 3.46Å; I295-F297 HydrophobicContact CD1-CE1 4.38Å; I295-F297 HydrophobicContact CD1-CZ 4.13Å; I295-T303 CarbonylContact O-C 3.6Å; I295-T303 VanDerWaalsContact O-CA 3.24Å; I295-T303 WeakPolarHBondContact O-CA 3.39Å; I295-R304 PolarHBondContact N-O 2.83Å; I295-R304 PolarHBondContact O-N 2.65Å; I295-Y306 HydrophobicContact CD1-CD2 3.29Å; I295-Y306 HydrophobicContact CD1-CE2 3.69Å; I295-Y306 HydrophobicContact CD1-CG 3.89Å; I295-Y306 HydrophobicContact CG1-CD2 3.58Å; I295-Y306 HydrophobicContact CG1-CE2 4.08Å; I295-Y306 HydrophobicContact CG1-CG 4.47Å; I295-I311 HydrophobicContact CG2-CD1 4.08Å
296R96Very high89Confident61 Ų6149.6 Ų49.623%0.2326%0.255CS..EExtended strand (participates in β ladder)trans-110.5126166.2-171.4-179.9-62.2118.312.3109.6A284 M285 E287 V298 E302 T303A284-R296 CarbonylContact C-O 3.59Å; A284-R296 WeakPolarHBondContact CA-O 3.24Å; A284-R296 WeakPolarHBondContact CB-O 3.44Å; M285-R296 PolarHBondContact N-O 3.39Å; M285-R296 PolarHBondContact O-N 2.85Å; E287-R296 VanDerWaalsContact CD-NH1 3.34Å; E287-R296 HydrophobicContact CG-CB 3.92Å; E287-R296 IonicContact OE1-CZ 2.8Å; E287-R296 IonicContact OE1-NE 2.69Å; E287-R296 IonicContact OE1-NH1 3.6Å; E287-R296 PolarHBondContact OE1-NH1 3.22Å; E287-R296 IonicContact OE1-NH2 3.28Å; E287-R296 PolarHBondContact OE1-NH2 3.5Å; E287-R296 IonicContact OE2-CZ 2.68Å; E287-R296 IonicContact OE2-NH1 3.85Å; E287-R296 IonicContact OE2-NH2 3.29Å; E287-R296 PolarHBondContact OE2-NH2 2.79Å; R296-V298 PolarHBondContact O-N 2.88Å; R296-E302 CarbonylContact C-O 3.59Å; R296-E302 WeakPolarHBondContact CA-O 3.49Å; R296-T303 HydrophobicContact CB-CG2 3.88Å; R296-T303 HydrophobicContact CG-CG2 3.81Å
297F97.1Very high88.6Confident4 Ų453.1 Ų53.12%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-70.3110166-69.7-71.1000109A274 N276 K282 R283 A284 I295 D299 S300 G301 E302 Y306A274-F297 HydrophobicContact CB-CE1 3.99Å; A274-F297 HydrophobicContact CB-CZ 4.38Å; N276-F297 HydrophobicContact CB-CZ 4.16Å; K282-F297 HydrophobicContact CB-CD1 3.59Å; K282-F297 HydrophobicContact CB-CE1 3.76Å; K282-F297 HydrophobicContact CD-CD1 4.11Å; K282-F297 HydrophobicContact CD-CE1 4.3Å; K282-F297 HydrophobicContact CG-CD1 4.48Å; R283-F297 WeakPolarHBondContact O-CA 3.38Å; A284-F297 HydrophobicContact CB-CD1 4.27Å; I295-F297 HydrophobicContact CD1-CE1 4.38Å; I295-F297 HydrophobicContact CD1-CZ 4.13Å; F297-D299 PolarHBondContact O-N 2.98Å; F297-D299 VanDerWaalsContact O-N 3.16Å; F297-S300 WeakPolarHBondContact CB-OG 3.24Å; F297-S300 PolarHBondContact O-N 2.84Å; F297-G301 WeakPolarHBondContact O-CA 3.35Å; F297-G301 PolarHBondContact O-N 3.03Å; F297-E302 HydrophobicContact CD2-CB 4.39Å; F297-E302 PolarHBondContact N-O 3.02Å; F297-Y306 AromaticContact CE2-CE2 3.69Å; F297-Y306 HydrophobicContact CE2-CE2 3.69Å; F297-Y306 AromaticContact CE2-CZ 4Å; F297-Y306 AromaticContact CZ-CE2 3.63Å; F297-Y306 HydrophobicContact CZ-CE2 3.63Å; F297-Y306 AromaticContact CZ-CZ 3.66Å; F297-Y306 WeakPolarHBondContact CZ-OH 3.4Å
298V97.6Very high88Confident9 Ų954.8 Ų54.86%0.05528%0.279CS..THydrogen-bonded Turntrans-72.5-12.4-167.9-61.40000113.5Y197 R283 M285 R296 P323 L324 A325Y197-V298 HydrophobicContact CE1-CG2 4.16Å; Y197-V298 HydrophobicContact CE2-CG1 3.99Å; Y197-V298 HydrophobicContact CE2-CG2 4.41Å; R283-V298 HydrophobicContact CB-CG2 3.58Å; R283-V298 PolarHBondContact O-N 3.05Å; M285-V298 HydrophobicContact CB-CG1 3.7Å; R296-V298 PolarHBondContact O-N 2.88Å; V298-P323 HydrophobicContact CB-CB 3.88Å; V298-P323 HydrophobicContact CB-CG 4.05Å; V298-P323 HydrophobicContact CG2-CB 4.38Å; V298-P323 HydrophobicContact CG2-CG 4.42Å; V298-P323 WeakPolarHBondContact O-CB 2.94Å; V298-L324 PolarHBondContact O-N 3.15Å; V298-A325 VanDerWaalsContact O-CB 3.29Å; V298-A325 WeakPolarHBondContact O-CB 3.24Å; V298-A325 PolarHBondContact O-N 2.95Å; V298-A325 VanDerWaalsContact O-N 3.07Å
299D98.1Very high87.7Confident13 Ų1359.5 Ų59.57%0.0730%0.299CS..THydrogen-bonded Turntrans-103.4-7.8-179.2-62.9-43.9000113.9V235 L243 L246 R283 F297 L324V235-D299 WeakPolarHBondContact CG2-O 3.13Å; L243-D299 HydrophobicContact CD1-CB 3.77Å; L246-D299 WeakPolarHBondContact CD2-OD2 3.32Å; R283-D299 IonicContact CZ-OD1 3.57Å; R283-D299 IonicContact CZ-OD2 3.22Å; R283-D299 IonicContact NE-OD1 2.76Å; R283-D299 IonicContact NE-OD2 2.72Å; R283-D299 PolarHBondContact NE-OD2 3.16Å; R283-D299 IonicContact NH2-OD1 2.79Å; R283-D299 PolarHBondContact NH2-OD1 3.38Å; R283-D299 IonicContact NH2-OD2 3.5Å; R283-D299 PolarHBondContact NH2-OD2 3.47Å; F297-D299 PolarHBondContact O-N 2.98Å; F297-D299 VanDerWaalsContact O-N 3.16Å; D299-L324 HydrophobicContact CB-CB 4.28Å; D299-L324 WeakPolarHBondContact OD1-CB 3.4Å; D299-L324 WeakPolarHBondContact OD1-CG 3.16Å; D299-L324 PolarHBondContact OD1-N 3.2Å
300S96.4Very high88.3Confident29 Ų2960.5 Ų60.520%0.20329%0.287CS..THydrogen-bonded Turntrans-122.2-18.4170.765.10000113.4G224 S225 F297 E302G224-S300 CarbonylContact C-O 3.49Å; G224-S300 WeakPolarHBondContact CA-O 3.22Å; S225-S300 PolarHBondContact N-O 3.25Å; F297-S300 WeakPolarHBondContact CB-OG 3.24Å; F297-S300 PolarHBondContact O-N 2.84Å; S300-E302 PolarHBondContact O-N 2.89Å; S300-E302 WeakPolarHBondContact OG-CB 3.44Å; S300-E302 PolarHBondContact OG-N 2.73Å
301G96.3Very high89.2Confident1 Ų156 Ų561%0.0126%0.255CS..  trans74.82-17300000113.9S225 F297 A325S225-G301 VanDerWaalsContact CB-O 3.29Å; S225-G301 WeakPolarHBondContact CB-O 3.15Å; S225-G301 VanDerWaalsContact OG-C 3.25Å; S225-G301 PolarHBondContact OG-O 3.47Å; F297-G301 WeakPolarHBondContact O-CA 3.35Å; F297-G301 PolarHBondContact O-N 3.03Å; G301-A325 VanDerWaalsContact N-CB 3.31Å
302E95Very high90.3Very high66 Ų6646.7 Ų46.731%0.30822%0.221SC..  trans-71.7136.6177.4-175.9179.3-169.100110.5R296 F297 S300 R304R296-E302 CarbonylContact C-O 3.59Å; R296-E302 WeakPolarHBondContact CA-O 3.49Å; F297-E302 HydrophobicContact CD2-CB 4.39Å; F297-E302 PolarHBondContact N-O 3.02Å; S300-E302 PolarHBondContact O-N 2.89Å; S300-E302 WeakPolarHBondContact OG-CB 3.44Å; S300-E302 PolarHBondContact OG-N 2.73Å; E302-R304 HydrophobicContact CG-CG 4.39Å; E302-R304 IonicContact OE1-CZ 3.95Å; E302-R304 IonicContact OE1-NE 3.38Å; E302-R304 PolarHBondContact OE1-NE 2.84Å; E302-R304 IonicContact OE1-NH2 3.56Å; E302-R304 PolarHBondContact OE1-NH2 2.76Å
303T94.1Very high90.9Very high61 Ų6147.9 Ų47.937%0.37422%0.223SC..EExtended strand (participates in β ladder)trans-112.5139.4176.854.50000111F294 I295 R296F294-T303 VanDerWaalsContact CZ-CB 3.47Å; F294-T303 HydrophobicContact CZ-CG2 3.96Å; I295-T303 CarbonylContact O-C 3.6Å; I295-T303 VanDerWaalsContact O-CA 3.24Å; I295-T303 WeakPolarHBondContact O-CA 3.39Å; R296-T303 HydrophobicContact CB-CG2 3.88Å; R296-T303 HydrophobicContact CG-CG2 3.81Å
304R92.4Very high91.4Very high87 Ų8748.2 Ų48.233%0.32823%0.225SC..EExtended strand (participates in β ladder)trans-153.3159.9179.4-74.1-166.7-173.3-156.30.8111.3H277 I295 E302 Y306H277-R304 PolarHBondContact ND1-NH1 2.72Å; I295-R304 PolarHBondContact N-O 2.83Å; I295-R304 PolarHBondContact O-N 2.65Å; E302-R304 HydrophobicContact CG-CG 4.39Å; E302-R304 IonicContact OE1-CZ 3.95Å; E302-R304 IonicContact OE1-NE 3.38Å; E302-R304 PolarHBondContact OE1-NE 2.84Å; E302-R304 IonicContact OE1-NH2 3.56Å; E302-R304 PolarHBondContact OE1-NH2 2.76Å; R304-Y306 HydrophobicContact CB-CD2 4.04Å; R304-Y306 HydrophobicContact CB-CE2 3.58Å; R304-Y306 HydrophobicContact CG-CE2 4.49Å
305Y91.2Very high91.3Very high163 Ų16348.3 Ų48.364%0.63923%0.228SC*.EExtended strand (participates in β ladder)trans-85.9138.1167.3-69.4-82000110.4C292 T293 F294C292-Y305 HydrophobicContact CB-CD1 4.1Å; T293-Y305 WeakPolarHBondContact O-CA 3.3Å; F294-Y305 HydrophobicContact CB-CD1 3.97Å; F294-Y305 HydrophobicContact CB-CE1 3.7Å; F294-Y305 HydrophobicContact CD2-CD1 4.12Å; F294-Y305 HydrophobicContact CD2-CD2 4.17Å; F294-Y305 AromaticContact CD2-CE1 3.91Å; F294-Y305 HydrophobicContact CD2-CE1 3.91Å; F294-Y305 AromaticContact CD2-CE2 3.95Å; F294-Y305 HydrophobicContact CD2-CE2 3.95Å; F294-Y305 HydrophobicContact CD2-CG 4.25Å; F294-Y305 AromaticContact CD2-CZ 3.82Å; F294-Y305 HydrophobicContact CE2-CE2 4.32Å; F294-Y305 HydrophobicContact CG-CD1 4.5Å; F294-Y305 HydrophobicContact CG-CE1 4.1Å
306Y87.8Confident91.2Very high19 Ų1955.1 Ų55.18%0.07526%0.257CS..EExtended strand (participates in β ladder)trans-133.8148.8176.3-82.6-93.7000111.9M275 N276 T293 I295 F297 R304 K310M275-Y306 WeakPolarHBondContact O-CE1 3.16Å; N276-Y306 WeakPolarHBondContact CA-OH 3.37Å; T293-Y306 PolarHBondContact N-O 3.17Å; T293-Y306 PolarHBondContact O-N 2.9Å; I295-Y306 HydrophobicContact CD1-CD2 3.29Å; I295-Y306 HydrophobicContact CD1-CE2 3.69Å; I295-Y306 HydrophobicContact CD1-CG 3.89Å; I295-Y306 HydrophobicContact CG1-CD2 3.58Å; I295-Y306 HydrophobicContact CG1-CE2 4.08Å; I295-Y306 HydrophobicContact CG1-CG 4.47Å; F297-Y306 AromaticContact CE2-CE2 3.69Å; F297-Y306 HydrophobicContact CE2-CE2 3.69Å; F297-Y306 AromaticContact CE2-CZ 4Å; F297-Y306 AromaticContact CZ-CE2 3.63Å; F297-Y306 HydrophobicContact CZ-CE2 3.63Å; F297-Y306 AromaticContact CZ-CZ 3.66Å; F297-Y306 WeakPolarHBondContact CZ-OH 3.4Å; R304-Y306 HydrophobicContact CB-CD2 4.04Å; R304-Y306 HydrophobicContact CB-CE2 3.58Å; R304-Y306 HydrophobicContact CG-CE2 4.49Å; Y306-K310 HydrophobicContact CD1-CB 4.03Å; Y306-K310 HydrophobicContact CD1-CD 4.07Å
307D82.8Confident91.1Very high77 Ų7755 Ų5541%0.41227%0.269SS..  trans-72.2150.3167-53.1-47.3000110D309 K310D307-D309 VanDerWaalsContact C-N 3.28Å; D307-D309 WeakPolarHBondContact CB-OD1 3.47Å; D307-D309 PolarHBondContact O-N 3.38Å; D307-K310 PolarHBondContact O-N 3.18Å; D307-K310 IonicContact OD2-NZ 3.6Å; D307-K310 PolarHBondContact OD2-NZ 3.15Å
308W79.7Confident91Very high68 Ų6855.6 Ų55.626%0.25827%0.272SS..G310 helixtrans-63.7-31.5-174.6-65.498.8000113.8F263 V266 R291 T293 K310 I311F263-W308 HydrophobicContact CD2-CD2 4.15Å; F263-W308 AromaticContact CD2-CE2 3.83Å; F263-W308 HydrophobicContact CD2-CE3 4.18Å; F263-W308 AromaticContact CD2-CH2 3.58Å; F263-W308 HydrophobicContact CD2-CH2 3.58Å; F263-W308 AromaticContact CD2-CZ2 3.58Å; F263-W308 HydrophobicContact CD2-CZ2 3.58Å; F263-W308 AromaticContact CD2-CZ3 3.88Å; F263-W308 HydrophobicContact CD2-CZ3 3.88Å; F263-W308 AromaticContact CE2-CE2 3.82Å; F263-W308 AromaticContact CE2-CH2 3.6Å; F263-W308 HydrophobicContact CE2-CH2 3.6Å; F263-W308 AromaticContact CE2-CZ2 3.3Å; F263-W308 HydrophobicContact CE2-CZ2 3.3Å; F263-W308 HydrophobicContact CE2-CZ3 4.37Å; V266-W308 HydrophobicContact CB-CH2 3.91Å; V266-W308 HydrophobicContact CB-CZ3 3.51Å; V266-W308 HydrophobicContact CG1-CH2 3.63Å; V266-W308 HydrophobicContact CG1-CZ3 3.43Å; V266-W308 VanDerWaalsContact CG1-CZ3 3.43Å; V266-W308 HydrophobicContact CG2-CE3 4.48Å; V266-W308 HydrophobicContact CG2-CZ3 3.66Å; R291-W308 PolarHBondContact O-NE1 2.93Å; T293-W308 HydrophobicContact CG2-CH2 4.47Å; T293-W308 WeakPolarHBondContact OG1-CH2 3.32Å; T293-W308 WeakPolarHBondContact OG1-CZ2 3.4Å; T293-W308 WeakPolarHBondContact OG1-CZ3 3.5Å; W308-K310 PolarHBondContact O-N 2.95Å; W308-I311 PolarHBondContact O-N 2.82Å; W308-I311 VanDerWaalsContact O-N 3.17Å
309D79.8Confident90.9Very high122 Ų12256 Ų5665%0.65227%0.273SS*.G310 helixtrans-64.7-18.7178.465.1-39000113.3D307D307-D309 VanDerWaalsContact C-N 3.28Å; D307-D309 WeakPolarHBondContact CB-OD1 3.47Å; D307-D309 PolarHBondContact O-N 3.38Å
310K86.4Confident90.6Very high76 Ų7661.9 Ų61.933%0.3330%0.301SS..G310 helixtrans-976.3178.9-65.2168-170.1149.70113.3A274 M275 Y306 D307 W308A274-K310 VanDerWaalsContact CA-O 3.31Å; A274-K310 WeakPolarHBondContact CA-O 3.21Å; M275-K310 PolarHBondContact N-O 3.42Å; Y306-K310 HydrophobicContact CD1-CB 4.03Å; Y306-K310 HydrophobicContact CD1-CD 4.07Å; D307-K310 PolarHBondContact O-N 3.18Å; D307-K310 IonicContact OD2-NZ 3.6Å; D307-K310 PolarHBondContact OD2-NZ 3.15Å; W308-K310 PolarHBondContact O-N 2.95Å
311I89Confident90.6Very high0 Ų062 Ų620%030%0.299CS..EExtended strand (participates in β ladder)trans-121.5131.6-175.5-54.8175.9000110.2I261 C272 C273 A274 T293 I295 W308I261-I311 HydrophobicContact CG2-CB 4.29Å; I261-I311 HydrophobicContact CG2-CG2 3.88Å; I261-I311 PolarHBondContact N-O 3.38Å; C272-I311 HydrophobicContact CB-CG2 3.7Å; C273-I311 WeakPolarHBondContact O-CA 3.34Å; A274-I311 HydrophobicContact CB-CG1 4.5Å; T293-I311 VanDerWaalsContact CB-CD1 3.48Å; T293-I311 HydrophobicContact CG2-CD1 3.84Å; I295-I311 HydrophobicContact CG2-CD1 4.08Å; W308-I311 PolarHBondContact O-N 2.82Å; W308-I311 VanDerWaalsContact O-N 3.17Å
312K90.9Very high90.6Very high14 Ų1462 Ų626%0.06130%0.298CS..EExtended strand (participates in β ladder)trans-125.6157.8178-63.5-177.7173.2172.60111Y254 S257 C272 C273 W281Y254-K312 HydrophobicContact CD1-CB 4.18Å; Y254-K312 HydrophobicContact CD1-CD 3.56Å; Y254-K312 HydrophobicContact CE1-CB 3.96Å; Y254-K312 HydrophobicContact CE1-CD 4.14Å; Y254-K312 PolarHBondContact O-NZ 3.26Å; S257-K312 WeakPolarHBondContact O-CE 3.33Å; S257-K312 PolarHBondContact O-NZ 3.26Å; S257-K312 PolarHBondContact OG-NZ 3Å; C272-K312 CarbonylContact C-O 3.59Å; C272-K312 WeakPolarHBondContact CA-O 3.34Å; C272-K312 WeakPolarHBondContact CB-O 3.44Å; C273-K312 PolarHBondContact N-O 3.32Å; C273-K312 PolarHBondContact O-N 2.87Å; W281-K312 HydrophobicContact CH2-CD 3.5Å; W281-K312 VanDerWaalsContact CH2-CD 3.5Å; W281-K312 HydrophobicContact CH2-CG 3.91Å; W281-K312 HydrophobicContact CZ2-CD 4.01Å; W281-K312 HydrophobicContact CZ3-CD 3.77Å; W281-K312 HydrophobicContact CZ3-CG 3.92Å
313L88.9Confident90.7Very high79 Ų7959.7 Ų59.741%0.41429%0.289SS..EExtended strand (participates in β ladder)trans-66.9134.5172.9-17365.1000110Y254 I261Y254-L313 WeakPolarHBondContact CE1-O 3.43Å; Y254-L313 PolarHBondContact OH-O 3.35Å; I261-L313 HydrophobicContact CD1-CB 4.22Å; I261-L313 HydrophobicContact CD1-CD1 3.72Å; I261-L313 HydrophobicContact CG1-CB 4.31Å; I261-L313 HydrophobicContact CG1-CD1 4.38Å
314L93Very high90.9Very high7 Ų756.9 Ų56.94%0.03727%0.272CS..PPolyproline II helixtrans-78.4125.7178.4-168.565.3000110.7Y197 L250 Y254 P271 C273 R283 F318 M319Y197-L314 HydrophobicContact CE1-CD2 3.53Å; Y197-L314 VanDerWaalsContact OH-CD2 3.23Å; Y197-L314 WeakPolarHBondContact OH-CD2 3.37Å; L250-L314 HydrophobicContact CD2-CD1 4.28Å; Y254-L314 HydrophobicContact CE2-CD1 4.4Å; Y254-L314 VanDerWaalsContact OH-CA 3.24Å; Y254-L314 WeakPolarHBondContact OH-CA 3.45Å; P271-L314 HydrophobicContact CB-CB 4.24Å; P271-L314 HydrophobicContact CB-CD2 4Å; C273-L314 HydrophobicContact CB-CD1 3.99Å; R283-L314 HydrophobicContact CG-CD1 4.23Å; R283-L314 HydrophobicContact CG-CD2 4.43Å; L314-F318 HydrophobicContact CD1-CB 3.71Å; L314-F318 HydrophobicContact CD1-CD2 4.23Å; L314-F318 HydrophobicContact CD1-CG 4.29Å; L314-F318 HydrophobicContact CD2-CB 4.34Å; L314-F318 HydrophobicContact CG-CB 4.01Å; L314-M319 HydrophobicContact CD2-CG 3.64Å; L314-M319 HydrophobicContact CD2-SD 4.43Å; L314-M319 HydrophobicContact CG-CG 4.19Å
315D91.7Very high91.2Very high59 Ų5953.1 Ų53.132%0.31626%0.259SS..PPolyproline II helixtrans-64.1141174-170.5-70.3000110.1W253 Y254 A317 F318W253-D315 WeakPolarHBondContact CZ2-OD2 3.37Å; Y254-D315 PolarHBondContact OH-N 2.63Å; D315-A317 PolarHBondContact O-N 3.22Å; D315-A317 VanDerWaalsContact O-N 3.16Å; D315-A317 WeakPolarHBondContact OD1-CB 3.35Å; D315-A317 PolarHBondContact OD1-N 3.04Å; D315-F318 HydrophobicContact CB-CD2 3.75Å; D315-F318 HydrophobicContact CB-CE2 4.05Å; D315-F318 PolarHBondContact O-N 2.93Å
316K91.7Very high91.5Very high142 Ų14245.5 Ų45.562%0.61723%0.23SC*.G310 helixtrans-56.9-31.9-177.7-65.8-177.6179178.90112.9F318 M319K316-F318 PolarHBondContact O-N 2.78Å; K316-M319 HydrophobicContact CB-CE 4.05Å; K316-M319 HydrophobicContact CG-CE 3.65Å; K316-M319 WeakPolarHBondContact O-CB 3.49Å; K316-M319 PolarHBondContact O-N 3.44Å
317A93.3Very high92Very high58 Ų5848.7 Ų48.748%0.47924%0.242SC..G310 helixtrans-61.1-30.9176.600000112.7D315 M319D315-A317 PolarHBondContact O-N 3.22Å; D315-A317 VanDerWaalsContact O-N 3.16Å; D315-A317 WeakPolarHBondContact OD1-CB 3.35Å; D315-A317 PolarHBondContact OD1-N 3.04Å; A317-M319 VanDerWaalsContact C-N 3.28Å; A317-M319 PolarHBondContact O-N 2.85Å
318F95.4Very high92.7Very high18 Ų1845 Ų458%0.07922%0.222CC..G310 helixtrans-82.8-2.9177.4-61.4-66000113.6L246 K249 L250 W253 Y254 R283 L314 D315 K316L246-F318 HydrophobicContact CD1-CD1 3.83Å; K249-F318 HydrophobicContact CB-CE1 3.79Å; K249-F318 HydrophobicContact CB-CZ 4.42Å; L250-F318 HydrophobicContact CD2-CB 4.31Å; L250-F318 HydrophobicContact CD2-CD1 3.64Å; L250-F318 HydrophobicContact CD2-CD2 3.88Å; L250-F318 HydrophobicContact CD2-CE1 3.84Å; L250-F318 HydrophobicContact CD2-CE2 4.11Å; L250-F318 HydrophobicContact CD2-CG 3.67Å; L250-F318 HydrophobicContact CD2-CZ 4.08Å; L250-F318 HydrophobicContact CG-CD1 4.08Å; L250-F318 HydrophobicContact CG-CE1 4.08Å; W253-F318 HydrophobicContact CB-CE2 3.95Å; W253-F318 HydrophobicContact CB-CZ 3.73Å; W253-F318 AromaticContact CD1-CE2 3.68Å; W253-F318 HydrophobicContact CD2-CE2 4.25Å; W253-F318 HydrophobicContact CD2-CZ 4.49Å; W253-F318 AromaticContact CG-CE2 3.68Å; W253-F318 HydrophobicContact CG-CE2 3.68Å; W253-F318 AromaticContact CG-CZ 3.91Å; W253-F318 HydrophobicContact CG-CZ 3.91Å; Y254-F318 HydrophobicContact CD2-CE2 4.48Å; Y254-F318 AromaticContact CE2-CD2 3.95Å; Y254-F318 HydrophobicContact CE2-CD2 3.95Å; Y254-F318 AromaticContact CE2-CE2 3.78Å; Y254-F318 HydrophobicContact CE2-CE2 3.78Å; R283-F318 WeakPolarHBondContact CD-O 3.29Å; R283-F318 PolarHBondContact NH1-O 3.4Å; L314-F318 HydrophobicContact CD1-CB 3.71Å; L314-F318 HydrophobicContact CD1-CD2 4.23Å; L314-F318 HydrophobicContact CD1-CG 4.29Å; L314-F318 HydrophobicContact CD2-CB 4.34Å; L314-F318 HydrophobicContact CG-CB 4.01Å; D315-F318 HydrophobicContact CB-CD2 3.75Å; D315-F318 HydrophobicContact CB-CE2 4.05Å; D315-F318 PolarHBondContact O-N 2.93Å; K316-F318 PolarHBondContact O-N 2.78Å
319M94.6Very high93.5Very high16 Ų1644.7 Ų44.78%0.07922%0.223CC..G310 helixtrans-95.6-10.3176.7-62.8-167.4-8100113.3A195 Y197 R198 P271 L314 K316 A317 L321A195-M319 HydrophobicContact CB-CE 4.07Å; Y197-M319 HydrophobicContact CD1-CB 4.37Å; Y197-M319 HydrophobicContact CD1-CG 4.23Å; Y197-M319 HydrophobicContact CE1-CG 4.29Å; R198-M319 PolarHBondContact N-O 3.22Å; P271-M319 HydrophobicContact CB-CG 4.45Å; P271-M319 HydrophobicContact CB-SD 3.63Å; P271-M319 HydrophobicContact CG-SD 3.69Å; L314-M319 HydrophobicContact CD2-CG 3.64Å; L314-M319 HydrophobicContact CD2-SD 4.43Å; L314-M319 HydrophobicContact CG-CG 4.19Å; K316-M319 HydrophobicContact CB-CE 4.05Å; K316-M319 HydrophobicContact CG-CE 3.65Å; K316-M319 WeakPolarHBondContact O-CB 3.49Å; K316-M319 PolarHBondContact O-N 3.44Å; A317-M319 VanDerWaalsContact C-N 3.28Å; A317-M319 PolarHBondContact O-N 2.85Å; M319-L321 VanDerWaalsContact C-N 3.3Å; M319-L321 PolarHBondContact O-N 3.49Å
320E93.3Very high94.3Very high138 Ų13839 Ų3965%0.64519%0.193SC*.SBendtrans-68.1-27.8178.8-64.5-173.1169.800113.5R198R198-E320 WeakPolarHBondContact CD-O 3.29Å; R198-E320 PolarHBondContact NH1-O 2.98Å
321L95.6Very high94.7Very high31 Ų3137.7 Ų37.716%0.16219%0.189CC..SBendtrans-86.8129.9168.7-171.166.3000108.1L208 L242 L246 R283 M319 L324L208-L321 HydrophobicContact CD2-CD1 4.28Å; L242-L321 HydrophobicContact CB-CD2 4.49Å; L242-L321 HydrophobicContact CD1-CD1 4.37Å; L246-L321 HydrophobicContact CB-CD2 4.47Å; L246-L321 HydrophobicContact CD2-CD2 4.19Å; R283-L321 PolarHBondContact NH1-O 3Å; M319-L321 VanDerWaalsContact C-N 3.3Å; M319-L321 PolarHBondContact O-N 3.49Å; L321-L324 HydrophobicContact CD1-CD2 4.44Å; L321-L324 HydrophobicContact CD2-CD1 4.18Å; L321-L324 HydrophobicContact CD2-CD2 4.12Å; L321-L324 HydrophobicContact CD2-CG 4.35Å; L321-L324 HydrophobicContact CG-CD2 4.19Å
322P96.4Very high94.5Very high0 Ų040.2 Ų40.20%022%0.215CC..  trans-62161172.4-20.832.1000111.4R198 K199 Q200 F203 L208 R283 L324R198-P322 HydrophobicContact CB-CG 4.01Å; R198-P322 HydrophobicContact CG-CG 4.01Å; R198-P322 WeakPolarHBondContact O-CA 3.32Å; R198-P322 VanDerWaalsContact O-CB 3.32Å; R198-P322 WeakPolarHBondContact O-CB 3.39Å; K199-P322 VanDerWaalsContact O-CG 3.3Å; K199-P322 WeakPolarHBondContact O-CG 3.47Å; Q200-P322 HydrophobicContact CG-CB 3.85Å; F203-P322 HydrophobicContact CE2-CB 3.94Å; F203-P322 HydrophobicContact CE2-CG 3.94Å; F203-P322 HydrophobicContact CZ-CG 4.5Å; L208-P322 HydrophobicContact CD2-CG 3.5Å; L208-P322 VanDerWaalsContact CD2-CG 3.5Å; R283-P322 PolarHBondContact NH2-O 2.85Å; P322-L324 PolarHBondContact O-N 2.68Å
323P97.4Very high94.3Very high18 Ų1840.4 Ų40.412%0.11722%0.218CC..  trans-45.8135.8163.2-33.741.7000111.1Y197 Q200 V298Y197-P323 HydrophobicContact CD1-CG 4.39Å; Y197-P323 HydrophobicContact CD2-CG 4.38Å; Y197-P323 HydrophobicContact CG-CG 4.05Å; Q200-P323 HydrophobicContact CG-CB 4.38Å; Q200-P323 WeakPolarHBondContact CG-O 3.29Å; Q200-P323 PolarHBondContact NE2-O 3.4Å; V298-P323 HydrophobicContact CB-CB 3.88Å; V298-P323 HydrophobicContact CB-CG 4.05Å; V298-P323 HydrophobicContact CG2-CB 4.38Å; V298-P323 HydrophobicContact CG2-CG 4.42Å; V298-P323 WeakPolarHBondContact O-CB 2.94Å
324L97.9Very high94.1Very high3 Ų339.2 Ų39.22%0.01621%0.212CC..SBendtrans-91.9-16.8-178.8-61.4-177.5000113.3F203 C239 L243 V298 D299 L321 P322F203-L324 HydrophobicContact CE2-CD2 4.34Å; F203-L324 HydrophobicContact CZ-CD2 3.93Å; C239-L324 HydrophobicContact CB-CD2 4.3Å; L243-L324 HydrophobicContact CB-CD1 3.68Å; L243-L324 HydrophobicContact CD1-CD1 4.07Å; L243-L324 HydrophobicContact CG-CD1 4.42Å; V298-L324 PolarHBondContact O-N 3.15Å; D299-L324 HydrophobicContact CB-CB 4.28Å; D299-L324 WeakPolarHBondContact OD1-CB 3.4Å; D299-L324 WeakPolarHBondContact OD1-CG 3.16Å; D299-L324 PolarHBondContact OD1-N 3.2Å; L321-L324 HydrophobicContact CD1-CD2 4.44Å; L321-L324 HydrophobicContact CD2-CD1 4.18Å; L321-L324 HydrophobicContact CD2-CD2 4.12Å; L321-L324 HydrophobicContact CD2-CG 4.35Å; L321-L324 HydrophobicContact CG-CD2 4.19Å; P322-L324 PolarHBondContact O-N 2.68Å
325A98.1Very high93.6Very high7 Ų748.6 Ų48.66%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-83.2118.8172.500000110.5Q200 H233 V234 V235 V298 G301Q200-A325 PolarHBondContact NE2-O 2.68Å; H233-A325 HydrophobicContact CB-CB 4.26Å; V234-A325 WeakPolarHBondContact O-CA 3.13Å; V235-A325 HydrophobicContact CG2-CB 4.42Å; V298-A325 VanDerWaalsContact O-CB 3.29Å; V298-A325 WeakPolarHBondContact O-CB 3.24Å; V298-A325 PolarHBondContact O-N 2.95Å; V298-A325 VanDerWaalsContact O-N 3.07Å; G301-A325 VanDerWaalsContact N-CB 3.31Å
326I97.8Very high92.9Very high4 Ų452.2 Ų52.22%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-94.6124.7176.9-57.1-71.4000108.2Q200 F204 H233 V234 F236 L369Q200-I326 HydrophobicContact CB-CD1 4.04Å; Q200-I326 HydrophobicContact CG-CD1 4.13Å; Q200-I326 VanDerWaalsContact NE2-CD1 3.31Å; F204-I326 HydrophobicContact CE2-CD1 3.99Å; F204-I326 HydrophobicContact CZ-CD1 4.13Å; F204-I326 HydrophobicContact CZ-CG2 4.4Å; H233-I326 CarbonylContact C-O 3.51Å; H233-I326 VanDerWaalsContact CA-O 3.27Å; H233-I326 WeakPolarHBondContact CA-O 3.49Å; V234-I326 HydrophobicContact CG2-CB 4.25Å; V234-I326 PolarHBondContact N-O 3.44Å; V234-I326 PolarHBondContact O-N 3.26Å; F236-I326 HydrophobicContact CD2-CG1 4.08Å; F236-I326 HydrophobicContact CE2-CB 4.34Å; F236-I326 HydrophobicContact CE2-CG1 3.95Å; I326-L369 HydrophobicContact CG2-CB 3.8Å; I326-L369 HydrophobicContact CG2-CD2 4.1Å
327R97.9Very high92.1Very high85 Ų8545.4 Ų45.432%0.32124%0.237SC..EExtended strand (participates in β ladder)trans-73.4131.6173.2-174.1173.265.6164.14.7109.4F232 D366 L369F232-R327 CarbonylContact O-C 3.56Å; F232-R327 WeakPolarHBondContact O-CA 3.33Å; R327-D366 PolarHBondContact NH2-O 3.03Å; R327-D366 VanDerWaalsContact NH2-O 3.1Å; R327-L369 PolarHBondContact O-N 2.96Å
328C98.1Very high91.6Very high0 Ų045.1 Ų45.10%023%0.225CC..EExtended strand (participates in β ladder)trans-128.7155-173.5-67.80000112.2F232 V234 L369 V371F232-C328 HydrophobicContact CD1-CB 4.05Å; F232-C328 WeakPolarHBondContact CD1-O 3.47Å; F232-C328 HydrophobicContact CD2-CB 4.02Å; F232-C328 HydrophobicContact CE1-CB 3.58Å; F232-C328 HydrophobicContact CE2-CB 3.59Å; F232-C328 HydrophobicContact CG-CB 4.25Å; F232-C328 HydrophobicContact CZ-CB 3.35Å; F232-C328 PolarHBondContact N-O 2.78Å; F232-C328 PolarHBondContact O-N 2.8Å; V234-C328 VanDerWaalsContact CG2-SG 3.56Å; C328-L369 WeakPolarHBondContact CA-O 3.35Å; C328-V371 HydrophobicContact CB-CG2 4.23Å
329Q96.7Very high91Very high62 Ų6250 Ų5029%0.2924%0.243SC..EExtended strand (participates in β ladder)trans-131.3146.1164.570.5-179.628.200109.4L230 I368 L369 S370 V371L230-Q329 WeakPolarHBondContact O-CB 3.44Å; Q329-I368 HydrophobicContact CB-CG2 3.97Å; Q329-I368 HydrophobicContact CG-CG2 3.72Å; Q329-L369 PolarHBondContact N-O 3.27Å; Q329-S370 PolarHBondContact NE2-OG 3.39Å; Q329-S370 WeakPolarHBondContact O-CA 3.07Å; Q329-V371 PolarHBondContact O-N 2.98Å
330I96.3Very high90.6Very high2 Ų258 Ų581%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-80.2129.9176.3-63.1-172.5000109.6W226 P229 F232 G332 S333 F346 V371 L373 F382W226-I330 HydrophobicContact CH2-CD1 4.05Å; P229-I330 HydrophobicContact CB-CB 4.35Å; P229-I330 HydrophobicContact CB-CD1 4.09Å; P229-I330 HydrophobicContact CB-CG1 4.36Å; P229-I330 PolarHBondContact O-N 2.88Å; F232-I330 HydrophobicContact CE1-CD1 4.43Å; F232-I330 HydrophobicContact CE1-CG1 3.63Å; F232-I330 HydrophobicContact CZ-CG1 3.98Å; I330-G332 PolarHBondContact O-N 3.08Å; I330-S333 WeakPolarHBondContact O-CB 3.29Å; I330-S333 PolarHBondContact O-N 3.32Å; I330-S333 PolarHBondContact O-OG 3.2Å; I330-F346 HydrophobicContact CD1-CE1 3.68Å; I330-F346 HydrophobicContact CD1-CZ 3.45Å; I330-F346 VanDerWaalsContact CD1-CZ 3.45Å; I330-V371 CarbonylContact C-O 3.57Å; I330-V371 VanDerWaalsContact CA-O 3.31Å; I330-V371 WeakPolarHBondContact CA-O 3.29Å; I330-L373 HydrophobicContact CD1-CB 4.21Å; I330-L373 HydrophobicContact CD1-CD2 4.17Å; I330-F382 HydrophobicContact CG2-CB 3.84Å; I330-F382 HydrophobicContact CG2-CD2 3.63Å; I330-F382 HydrophobicContact CG2-CE2 4.34Å; I330-F382 HydrophobicContact CG2-CG 3.77Å
331I93.8Very high90.4Very high48 Ų4855.2 Ų55.225%0.24627%0.273CS..THydrogen-bonded Turntrans-61.7129.1177.2-61.6171.2000109.8S333 V371I331-S333 VanDerWaalsContact C-N 3.28Å; I331-S333 PolarHBondContact O-N 2.78Å; I331-V371 PolarHBondContact N-O 3.49Å
332G85.8Confident90.1Very high54 Ų5455.4 Ų55.456%0.55727%0.274SS*.THydrogen-bonded Turntrans82.5-0.7178.900000114.8I330I330-G332 PolarHBondContact O-N 3.08Å
333S87.2Confident89.9Confident17 Ų1757.2 Ų57.212%0.11928%0.284CS..  trans-71.9139.5169.965.40000111.2L230 I330 I331L230-S333 VanDerWaalsContact CD2-OG 3.3Å; L230-S333 WeakPolarHBondContact CD2-OG 3.24Å; I330-S333 WeakPolarHBondContact O-CB 3.29Å; I330-S333 PolarHBondContact O-N 3.32Å; I330-S333 PolarHBondContact O-OG 3.2Å; I331-S333 VanDerWaalsContact C-N 3.28Å; I331-S333 PolarHBondContact O-N 2.78Å
334D84Confident89.7Confident54 Ų5460.4 Ų60.429%0.28930%0.3SS..  trans-137.3149.9175.87369.1000110.4N336 T337 F338D334-N336 PolarHBondContact O-N 2.89Å; D334-N336 VanDerWaalsContact O-N 3.14Å; D334-N336 WeakPolarHBondContact OD1-CA 3.04Å; D334-N336 VanDerWaalsContact OD1-CB 3.24Å; D334-N336 WeakPolarHBondContact OD1-CB 3.21Å; D334-N336 PolarHBondContact OD1-N 2.63Å; D334-T337 VanDerWaalsContact CG-CG2 3.48Å; D334-T337 PolarHBondContact O-N 3.17Å; D334-T337 VanDerWaalsContact O-N 3.11Å; D334-T337 PolarHBondContact O-OG1 3.08Å; D334-T337 WeakPolarHBondContact OD1-CG2 3.34Å; D334-T337 PolarHBondContact OD1-N 3.13Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.33Å; D334-F338 WeakPolarHBondContact O-CD1 3.13Å; D334-F338 WeakPolarHBondContact O-CE1 3.23Å
335R82Confident89.4Confident205 Ų20562.4 Ų62.477%0.77432%0.316SS*.G310 helixtrans-61.8-23.6-178-69-175178.2177.8-1.1112.9L230 T337 F338L230-R335 HydrophobicContact CD1-CB 4.43Å; L230-R335 HydrophobicContact CD1-CG 3.37Å; R335-T337 PolarHBondContact O-N 3.05Å; R335-F338 WeakPolarHBondContact O-CB 3.44Å; R335-F338 PolarHBondContact O-N 2.84Å
336N78.2Confident89.2Confident134 Ų13462 Ų6272%0.71731%0.314SS*.G310 helixtrans-82-0.4-178.7-56.8-20.2000112.7D334 R393D334-N336 PolarHBondContact O-N 2.89Å; D334-N336 VanDerWaalsContact O-N 3.14Å; D334-N336 WeakPolarHBondContact OD1-CA 3.04Å; D334-N336 VanDerWaalsContact OD1-CB 3.24Å; D334-N336 WeakPolarHBondContact OD1-CB 3.21Å; D334-N336 PolarHBondContact OD1-N 2.63Å; N336-R393 PolarHBondContact O-NH2 3.41Å
337T75.1Confident89.1Confident0 Ų069 Ų690%034%0.34CS..G310 helixtrans-99.5-3.7173.8580000113.1D334 R335 Y339 F386 F390D334-T337 VanDerWaalsContact CG-CG2 3.48Å; D334-T337 PolarHBondContact O-N 3.17Å; D334-T337 VanDerWaalsContact O-N 3.11Å; D334-T337 PolarHBondContact O-OG1 3.08Å; D334-T337 WeakPolarHBondContact OD1-CG2 3.34Å; D334-T337 PolarHBondContact OD1-N 3.13Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.33Å; R335-T337 PolarHBondContact O-N 3.05Å; T337-Y339 VanDerWaalsContact C-N 3.29Å; T337-Y339 VanDerWaalsContact O-CD2 3.31Å; T337-Y339 WeakPolarHBondContact O-CD2 3.21Å; T337-Y339 PolarHBondContact O-N 3.4Å; T337-F386 WeakPolarHBondContact O-CE1 3.39Å; T337-F390 HydrophobicContact CG2-CE1 3.46Å; T337-F390 VanDerWaalsContact CG2-CE1 3.46Å; T337-F390 HydrophobicContact CG2-CZ 3.6Å
338F81.2Confident88.8Confident52 Ų5270.4 Ų70.423%0.22835%0.35CS..  trans-81.364.7-167.7-74.92.2000113.8P229 L230 D334 R335 R340 L343 F386P229-F338 HydrophobicContact CB-CE1 3.98Å; P229-F338 HydrophobicContact CB-CZ 4.05Å; P229-F338 HydrophobicContact CG-CE1 3.86Å; P229-F338 HydrophobicContact CG-CZ 4.14Å; L230-F338 HydrophobicContact CB-CE2 4.45Å; L230-F338 HydrophobicContact CB-CZ 4.17Å; L230-F338 HydrophobicContact CD1-CE2 3.62Å; L230-F338 HydrophobicContact CD1-CZ 3.59Å; L230-F338 HydrophobicContact CG-CE2 4.1Å; L230-F338 HydrophobicContact CG-CZ 3.62Å; D334-F338 WeakPolarHBondContact O-CD1 3.13Å; D334-F338 WeakPolarHBondContact O-CE1 3.23Å; R335-F338 WeakPolarHBondContact O-CB 3.44Å; R335-F338 PolarHBondContact O-N 2.84Å; F338-R340 PolarHBondContact O-N 3.44Å; F338-L343 HydrophobicContact CB-CD1 3.65Å; F338-L343 HydrophobicContact CB-CG 4.3Å; F338-L343 HydrophobicContact CD1-CD2 3.98Å; F338-L343 HydrophobicContact CD2-CD1 4.33Å; F338-L343 HydrophobicContact CE1-CD2 4.33Å; F338-L343 HydrophobicContact CG-CD1 3.95Å; F338-L343 HydrophobicContact CG-CD2 4.21Å; F338-L343 HydrophobicContact CG-CG 4.47Å; F338-F386 HydrophobicContact CD1-CZ 4.49Å
339Y83.9Confident88.6Confident119 Ų11971.8 Ų71.847%0.46736%0.357SS..  trans-69.9125.2168.7-64-84000110.2T337 A341 I342 L343 L389T337-Y339 VanDerWaalsContact C-N 3.29Å; T337-Y339 VanDerWaalsContact O-CD2 3.31Å; T337-Y339 WeakPolarHBondContact O-CD2 3.21Å; T337-Y339 PolarHBondContact O-N 3.4Å; Y339-A341 VanDerWaalsContact C-N 3.32Å; Y339-A341 PolarHBondContact O-N 3.22Å; Y339-I342 HydrophobicContact CD2-CD1 4.34Å; Y339-I342 PolarHBondContact O-N 2.83Å; Y339-L343 PolarHBondContact O-N 3.45Å; Y339-L389 HydrophobicContact CD2-CD1 3.72Å; Y339-L389 HydrophobicContact CD2-CD2 3.53Å; Y339-L389 HydrophobicContact CD2-CG 4.26Å; Y339-L389 HydrophobicContact CE2-CD1 3.41Å; Y339-L389 VanDerWaalsContact CE2-CD1 3.41Å; Y339-L389 HydrophobicContact CE2-CD2 3.57Å; Y339-L389 HydrophobicContact CE2-CG 4.05Å
340R86.9Confident88.5Confident186 Ų18668.8 Ų68.870%0.70234%0.343SS*.Hα-helixtrans-49.9-47.7-174.5-175.9173.5178171.81.2113.3F338 I342 L343 D344F338-R340 PolarHBondContact O-N 3.44Å; R340-I342 VanDerWaalsContact C-N 3.31Å; R340-I342 PolarHBondContact O-N 2.88Å; R340-L343 PolarHBondContact O-N 2.84Å; R340-L343 VanDerWaalsContact O-N 3.16Å; R340-D344 VanDerWaalsContact O-CG 3.29Å; R340-D344 PolarHBondContact O-N 3.43Å
341A88.2Confident88.5Confident78 Ų7873.7 Ų73.765%0.64536%0.364SS*.Hα-helixtrans-60.4-38.3-179.600000113.2Y339 A345Y339-A341 VanDerWaalsContact C-N 3.32Å; Y339-A341 PolarHBondContact O-N 3.22Å; A341-A345 PolarHBondContact O-N 2.91Å
342I90Very high88.5Confident35 Ų3574.8 Ų74.818%0.17938%0.38CS..Hα-helixtrans-71.9-42.2177.2-58.3178000109.8Y339 R340 D344 A345 F346 H385 F386 L389Y339-I342 HydrophobicContact CD2-CD1 4.34Å; Y339-I342 PolarHBondContact O-N 2.83Å; R340-I342 VanDerWaalsContact C-N 3.31Å; R340-I342 PolarHBondContact O-N 2.88Å; I342-D344 VanDerWaalsContact C-N 3.35Å; I342-D344 PolarHBondContact O-N 2.88Å; I342-A345 PolarHBondContact O-N 3.18Å; I342-F346 WeakPolarHBondContact O-CB 3.47Å; I342-F346 PolarHBondContact O-N 2.87Å; I342-H385 HydrophobicContact CG2-CB 3.91Å; I342-H385 WeakPolarHBondContact CG2-O 3.35Å; I342-F386 HydrophobicContact CB-CE1 4.4Å; I342-F386 HydrophobicContact CG2-CD1 3.86Å; I342-F386 HydrophobicContact CG2-CD2 4.43Å; I342-F386 HydrophobicContact CG2-CE1 3.68Å; I342-F386 HydrophobicContact CG2-CE2 4.3Å; I342-F386 HydrophobicContact CG2-CG 4.24Å; I342-F386 HydrophobicContact CG2-CZ 3.92Å; I342-L389 HydrophobicContact CD1-CB 4.08Å; I342-L389 HydrophobicContact CD1-CD1 4.44Å; I342-L389 HydrophobicContact CD1-CD2 4.08Å; I342-L389 HydrophobicContact CD1-CG 4.43Å
343L92.1Very high88.9Confident39 Ų3974.8 Ų74.820%0.20438%0.38CS..Hα-helixtrans-62.5-39.8176.8-73-178.9000112.7P229 F338 Y339 R340 F346 R347 F386P229-L343 HydrophobicContact CG-CD2 3.91Å; F338-L343 HydrophobicContact CB-CD1 3.65Å; F338-L343 HydrophobicContact CB-CG 4.3Å; F338-L343 HydrophobicContact CD1-CD2 3.98Å; F338-L343 HydrophobicContact CD2-CD1 4.33Å; F338-L343 HydrophobicContact CE1-CD2 4.33Å; F338-L343 HydrophobicContact CG-CD1 3.95Å; F338-L343 HydrophobicContact CG-CD2 4.21Å; F338-L343 HydrophobicContact CG-CG 4.47Å; Y339-L343 PolarHBondContact O-N 3.45Å; R340-L343 PolarHBondContact O-N 2.84Å; R340-L343 VanDerWaalsContact O-N 3.16Å; L343-F346 PolarHBondContact O-N 2.87Å; L343-R347 VanDerWaalsContact O-CB 3.22Å; L343-R347 WeakPolarHBondContact O-CB 3.42Å; L343-R347 PolarHBondContact O-N 3.07Å; L343-F386 HydrophobicContact CD2-CZ 4.07Å
344D92Very high89.4Confident84 Ų8478.6 Ų78.645%0.44940%0.395SS..Hα-helixtrans-65.4-43.5178-70.8-25000111.1R340 I342 R347 H348R340-D344 VanDerWaalsContact O-CG 3.29Å; R340-D344 PolarHBondContact O-N 3.43Å; I342-D344 VanDerWaalsContact C-N 3.35Å; I342-D344 PolarHBondContact O-N 2.88Å; D344-R347 PolarHBondContact O-N 3.16Å; D344-H348 PolarHBondContact O-N 2.68Å
345A92.3Very high90Very high45 Ų4581.4 Ų81.437%0.37240%0.401SS..Hα-helixtrans-62.3-42.9173.400000111.8A341 I342 H348 D349A341-A345 PolarHBondContact O-N 2.91Å; I342-A345 PolarHBondContact O-N 3.18Å; A345-H348 WeakPolarHBondContact O-CB 3.36Å; A345-H348 PolarHBondContact O-N 3.35Å; A345-D349 PolarHBondContact O-N 2.83Å
346F94.5Very high90.8Very high0 Ų073.1 Ų73.10%037%0.37CS..Hα-helixtrans-69-38.9179.4-163.3-174.9000112.2W226 P229 I330 I342 L343 H348 D349 C350 L373 L381 F382 H385 F386W226-F346 HydrophobicContact CH2-CD1 4.29Å; W226-F346 HydrophobicContact CH2-CD2 4.23Å; W226-F346 AromaticContact CH2-CE1 3.97Å; W226-F346 HydrophobicContact CH2-CE1 3.97Å; W226-F346 AromaticContact CH2-CE2 3.87Å; W226-F346 HydrophobicContact CH2-CE2 3.87Å; W226-F346 HydrophobicContact CH2-CG 4.45Å; W226-F346 AromaticContact CH2-CZ 3.77Å; W226-F346 HydrophobicContact CH2-CZ 3.77Å; W226-F346 AromaticContact CZ2-CD1 3.9Å; W226-F346 HydrophobicContact CZ2-CD1 3.9Å; W226-F346 HydrophobicContact CZ2-CD2 4.1Å; W226-F346 HydrophobicContact CZ2-CE1 4.04Å; W226-F346 HydrophobicContact CZ2-CE2 4.2Å; W226-F346 AromaticContact CZ2-CG 3.96Å; W226-F346 HydrophobicContact CZ2-CG 3.96Å; W226-F346 HydrophobicContact CZ2-CZ 4.2Å; P229-F346 HydrophobicContact CB-CE1 4.32Å; P229-F346 HydrophobicContact CG-CD1 3.76Å; P229-F346 HydrophobicContact CG-CE1 3.76Å; I330-F346 HydrophobicContact CD1-CE1 3.68Å; I330-F346 HydrophobicContact CD1-CZ 3.45Å; I330-F346 VanDerWaalsContact CD1-CZ 3.45Å; I342-F346 WeakPolarHBondContact O-CB 3.47Å; I342-F346 PolarHBondContact O-N 2.87Å; L343-F346 PolarHBondContact O-N 2.87Å; F346-H348 VanDerWaalsContact C-N 3.26Å; F346-H348 PolarHBondContact O-N 3.27Å; F346-D349 CarbonylContact O-C 3.59Å; F346-D349 PolarHBondContact O-N 2.62Å; F346-D349 VanDerWaalsContact O-N 3.15Å; F346-C350 VanDerWaalsContact CD2-SG 3.58Å; F346-C350 WeakPolarHBondContact CE2-SG 3.42Å; F346-C350 PolarHBondContact O-N 3.22Å; F346-L373 HydrophobicContact CE2-CD2 4.42Å; F346-L373 HydrophobicContact CZ-CD2 4.46Å; F346-L381 HydrophobicContact CE2-CB 3.66Å; F346-L381 HydrophobicContact CE2-CD1 4.39Å; F346-L381 HydrophobicContact CZ-CB 4.08Å; F346-F382 HydrophobicContact CE1-CD2 4.45Å; F346-H385 HydrophobicContact CB-CB 4.29Å; F346-H385 HydrophobicContact CD1-CB 4.42Å; F346-H385 AromaticContact CD2-CD2 3.24Å; F346-H385 WeakPolarHBondContact CD2-CD2 3.46Å; F346-H385 AromaticContact CD2-NE2 3.69Å; F346-H385 AromaticContact CE2-CD2 3.82Å; F346-H385 HydrophobicContact CG-CB 4.26Å; F346-H385 AromaticContact CG-CD2 3.56Å; F346-H385 AromaticContact CG-CG 3.91Å; F346-F386 HydrophobicContact CD1-CD2 4.43Å; F346-F386 AromaticContact CD1-CE2 3.52Å; F346-F386 HydrophobicContact CD1-CE2 3.52Å; F346-F386 HydrophobicContact CD1-CZ 4.24Å; F346-F386 HydrophobicContact CE1-CD2 4.41Å; F346-F386 AromaticContact CE1-CE2 3.72Å; F346-F386 HydrophobicContact CE1-CE2 3.72Å
347R94.6Very high91.8Very high151 Ų15168.7 Ų68.757%0.5735%0.345SS*.Hα-helixtrans-60.1-36.9172.8-178.7175.6-174.3-178.81.1111.4L343 D344 C350 K351L343-R347 VanDerWaalsContact O-CB 3.22Å; L343-R347 WeakPolarHBondContact O-CB 3.42Å; L343-R347 PolarHBondContact O-N 3.07Å; D344-R347 PolarHBondContact O-N 3.16Å; R347-C350 CarbonylContact O-C 3.57Å; R347-C350 VanDerWaalsContact O-C 3.32Å; R347-C350 PolarHBondContact O-N 3.29Å; R347-K351 WeakPolarHBondContact O-CG 3.25Å; R347-K351 PolarHBondContact O-N 2.82Å
348H92.7Very high92.9Very high113 Ų11368.7 Ų68.752%0.52335%0.345SS..Hα-helixtrans-62.5-42.8174.9-172.294.6000112D344 A345 F346 C350D344-H348 PolarHBondContact O-N 2.68Å; A345-H348 WeakPolarHBondContact O-CB 3.36Å; A345-H348 PolarHBondContact O-N 3.35Å; F346-H348 VanDerWaalsContact C-N 3.26Å; F346-H348 PolarHBondContact O-N 3.27Å; H348-C350 VanDerWaalsContact C-N 3.27Å; H348-C350 PolarHBondContact O-N 3.45Å
349D93Very high93.7Very high29 Ų2968.9 Ų68.916%0.15535%0.346CS..Hα-helixtrans-68.9-25174.3-83.5-9.3000112.5A345 F346 R356 K384 H385A345-D349 PolarHBondContact O-N 2.83Å; F346-D349 CarbonylContact O-C 3.59Å; F346-D349 PolarHBondContact O-N 2.62Å; F346-D349 VanDerWaalsContact O-N 3.15Å; D349-R356 VanDerWaalsContact O-CZ 3.24Å; D349-R356 PolarHBondContact O-NE 3.44Å; D349-R356 PolarHBondContact O-NH2 3.17Å; D349-K384 IonicContact OD1-NZ 2.65Å; D349-K384 IonicContact OD2-NZ 3.11Å; D349-K384 PolarHBondContact OD2-NZ 2.77Å; D349-H385 IonicContact OD2-CD2 2.69Å; D349-H385 IonicContact OD2-CE1 3.95Å; D349-H385 PolarHBondContact OD2-CE1 3.34Å; D349-H385 IonicContact OD2-NE2 2.7Å; D349-H385 PolarHBondContact OD2-NE2 3.28Å
350C95.6Very high94.3Very high0 Ų063.3 Ų63.30%032%0.324CS..THydrogen-bonded Turntrans-115.233.8-175.5-57.70000113.2I223 W226 F346 R347 H348I223-C350 WeakPolarHBondContact CG2-O 3.43Å; W226-C350 WeakPolarHBondContact CB-O 3.29Å; W226-C350 HydrophobicContact CD2-CB 3.41Å; W226-C350 VanDerWaalsContact CD2-CB 3.41Å; W226-C350 HydrophobicContact CE3-CB 3.27Å; W226-C350 HydrophobicContact CG-CB 4.1Å; W226-C350 HydrophobicContact CH2-CB 3.74Å; W226-C350 HydrophobicContact CZ2-CB 3.88Å; W226-C350 HydrophobicContact CZ3-CB 3.45Å; W226-C350 VanDerWaalsContact CZ3-CB 3.45Å; F346-C350 VanDerWaalsContact CD2-SG 3.58Å; F346-C350 WeakPolarHBondContact CE2-SG 3.42Å; F346-C350 PolarHBondContact O-N 3.22Å; R347-C350 CarbonylContact O-C 3.57Å; R347-C350 VanDerWaalsContact O-C 3.32Å; R347-C350 PolarHBondContact O-N 3.29Å; H348-C350 VanDerWaalsContact C-N 3.27Å; H348-C350 PolarHBondContact O-N 3.45Å
351K94.6Very high94.6Very high105 Ų10557.9 Ų57.946%0.45731%0.314SS..  trans-59.2148.1171.7-70.2-176.4179.9-173.40111.3R347 K354R347-K351 WeakPolarHBondContact O-CG 3.25Å; R347-K351 PolarHBondContact O-N 2.82Å; K351-K354 HydrophobicContact CB-CG 4.17Å; K351-K354 VanDerWaalsContact O-CB 3.25Å; K351-K354 WeakPolarHBondContact O-CB 3.24Å; K351-K354 WeakPolarHBondContact O-CG 3.38Å; K351-K354 PolarHBondContact O-N 2.76Å; K351-K354 VanDerWaalsContact O-N 3.11Å
352A95Very high94.8Very high70 Ų7058 Ų5858%0.57930%0.304SS*.THydrogen-bonded Turntrans-50140.5172.300000111.3I223 G224 K354I223-A352 CarbonylContact O-C 3.55Å; I223-A352 WeakPolarHBondContact O-CA 3.27Å; G224-A352 WeakPolarHBondContact O-CB 3.35Å; A352-K354 VanDerWaalsContact C-N 3.29Å; A352-K354 PolarHBondContact O-N 3.11Å
353G94.5Very high95Very high54 Ų5462.1 Ų62.156%0.55732%0.317SS*.THydrogen-bonded Turntrans82.7-12.9-175.800000115.2I223 R355I223-G353 PolarHBondContact O-N 3.38Å; G353-R355 PolarHBondContact O-N 3.07Å
354K96.7Very high95.1Very high97 Ų9760.9 Ų60.942%0.42231%0.311SS..  trans-67.1135.1177.6-69.2-69.3-174.6-179.10111Y222 I223 K351 A352Y222-K354 WeakPolarHBondContact CA-O 2.97Å; I223-K354 HydrophobicContact CG1-CB 4.46Å; I223-K354 PolarHBondContact N-O 2.94Å; K351-K354 HydrophobicContact CB-CG 4.17Å; K351-K354 VanDerWaalsContact O-CB 3.25Å; K351-K354 WeakPolarHBondContact O-CB 3.24Å; K351-K354 WeakPolarHBondContact O-CG 3.38Å; K351-K354 PolarHBondContact O-N 2.76Å; K351-K354 VanDerWaalsContact O-N 3.11Å; A352-K354 VanDerWaalsContact C-N 3.29Å; A352-K354 PolarHBondContact O-N 3.11Å
355R97.6Very high95.2Very high114 Ų11462.4 Ų62.443%0.4332%0.318SS..EExtended strand (participates in β ladder)trans-84.6130.5175.6-163.4174.656.6-163.7-4.1110.9V221 Y222 G353 L376V221-R355 CarbonylContact O-C 3.17Å; V221-R355 WeakPolarHBondContact O-CA 3.42Å; Y222-R355 HydrophobicContact CD1-CB 4.17Å; Y222-R355 HydrophobicContact CD1-CG 4.37Å; Y222-R355 HydrophobicContact CE1-CB 4.03Å; Y222-R355 HydrophobicContact CE1-CG 4.06Å; G353-R355 PolarHBondContact O-N 3.07Å; R355-L376 HydrophobicContact CB-CD1 4.49Å; R355-L376 HydrophobicContact CG-CD2 4.09Å
356R98Very high95.1Very high31 Ų3167.2 Ų67.212%0.11734%0.338CS..EExtended strand (participates in β ladder)trans-138.1174.2-176.5-64.4-64.9172.5-114.716.6110.5Q220 V221 I223 D349 L373 Y374Q220-R356 WeakPolarHBondContact CA-O 3.39Å; V221-R356 HydrophobicContact CG2-CB 4.04Å; V221-R356 PolarHBondContact N-O 3.47Å; V221-R356 PolarHBondContact O-N 3.39Å; I223-R356 HydrophobicContact CD1-CB 4.39Å; I223-R356 HydrophobicContact CD1-CG 3.97Å; I223-R356 HydrophobicContact CG1-CG 3.9Å; D349-R356 VanDerWaalsContact O-CZ 3.24Å; D349-R356 PolarHBondContact O-NE 3.44Å; D349-R356 PolarHBondContact O-NH2 3.17Å; R356-L373 HydrophobicContact CB-CD1 3.81Å; R356-L373 HydrophobicContact CG-CD1 4.27Å; R356-Y374 WeakPolarHBondContact CB-O 3.23Å; R356-Y374 WeakPolarHBondContact CD-O 3.41Å
357Q98.4Very high95Very high40 Ų4068.8 Ų68.819%0.18735%0.353CS..EExtended strand (participates in β ladder)trans-116.9143.2168.2-63.6177-26.500109.8M218 H219 Q220 Y374 L376M218-Q357 HydrophobicContact CE-CB 3.56Å; M218-Q357 HydrophobicContact CE-CG 4.37Å; M218-Q357 VanDerWaalsContact CE-OE1 3.24Å; H219-Q357 CarbonylContact O-C 3.32Å; H219-Q357 VanDerWaalsContact O-CA 3.29Å; H219-Q357 WeakPolarHBondContact O-CA 3.2Å; Q220-Q357 HydrophobicContact CG-CG 4.38Å; Q357-Y374 PolarHBondContact N-O 3.16Å; Q357-Y374 PolarHBondContact O-N 3.23Å; Q357-L376 HydrophobicContact CG-CD2 4.3Å
358V98.3Very high95.1Very high0 Ų063.7 Ų63.70%034%0.337CS..EExtended strand (participates in β ladder)trans-124.4148.3174.9-620000110.6H219 V221 F236 V371 N372 L373H219-V358 HydrophobicContact CB-CG2 4.19Å; H219-V358 PolarHBondContact N-O 2.67Å; H219-V358 PolarHBondContact O-N 2.85Å; V221-V358 HydrophobicContact CG1-CB 4.42Å; V221-V358 HydrophobicContact CG1-CG1 4.15Å; V221-V358 HydrophobicContact CG1-CG2 3.49Å; V221-V358 VanDerWaalsContact CG1-CG2 3.49Å; V221-V358 HydrophobicContact CG2-CG1 3.67Å; F236-V358 HydrophobicContact CE1-CG2 4.17Å; F236-V358 HydrophobicContact CZ-CG2 4.14Å; V358-V371 HydrophobicContact CB-CB 4.29Å; V358-V371 HydrophobicContact CB-CG1 4.38Å; V358-V371 HydrophobicContact CG1-CG2 4.42Å; V358-N372 VanDerWaalsContact CA-O 3.32Å; V358-N372 WeakPolarHBondContact CA-O 3.35Å; V358-L373 HydrophobicContact CG1-CD1 3.67Å
359K98.1Very high95.3Very high57 Ų5758.3 Ų58.325%0.24831%0.312CS..EExtended strand (participates in β ladder)trans-128.4134.8168.4-163.9-176.1-178.9-158.50108.6E216 M218 V371 N372 Y374E216-K359 VanDerWaalsContact C-CE 3.47Å; E216-K359 WeakPolarHBondContact O-CE 3.35Å; E216-K359 WeakPolarHBondContact OE2-CE 3.24Å; E216-K359 IonicContact OE2-NZ 3.52Å; E216-K359 PolarHBondContact OE2-NZ 3.09Å; M218-K359 HydrophobicContact SD-CB 3.73Å; M218-K359 HydrophobicContact SD-CD 4.28Å; M218-K359 HydrophobicContact SD-CG 4.22Å; K359-V371 CarbonylContact O-C 3.56Å; K359-V371 VanDerWaalsContact O-CA 3.28Å; K359-V371 WeakPolarHBondContact O-CA 3.39Å; K359-N372 PolarHBondContact N-O 3.04Å; K359-N372 PolarHBondContact O-N 2.95Å; K359-Y374 HydrophobicContact CB-CE2 3.94Å
360F97.5Very high95.5Very high2 Ų259 Ų591%0.00932%0.319CS..EExtended strand (participates in β ladder)trans-132151.9178.159.5-91.7000110.4F204 F213 E214 P215 E216 H219 F236 D362 L369 S370 V371F204-F360 AromaticContact CD1-CE2 3.97Å; F204-F360 HydrophobicContact CD1-CE2 3.97Å; F204-F360 AromaticContact CD1-CZ 3.96Å; F204-F360 HydrophobicContact CD1-CZ 3.96Å; F204-F360 HydrophobicContact CE1-CE1 4.33Å; F204-F360 HydrophobicContact CE1-CE2 4.22Å; F204-F360 AromaticContact CE1-CZ 3.97Å; F204-F360 HydrophobicContact CE1-CZ 3.97Å; F213-F360 HydrophobicContact CB-CE1 4.19Å; F213-F360 HydrophobicContact CB-CZ 3.75Å; E214-F360 VanDerWaalsContact O-CZ 3.23Å; E214-F360 WeakPolarHBondContact O-CZ 3.48Å; P215-F360 VanDerWaalsContact CA-CE2 3.44Å; P215-F360 HydrophobicContact CB-CD2 4.18Å; P215-F360 HydrophobicContact CB-CE2 3.95Å; E216-F360 PolarHBondContact N-O 3.47Å; H219-F360 AromaticContact CD2-CE1 3.59Å; H219-F360 AromaticContact NE2-CE1 3.83Å; F236-F360 HydrophobicContact CE1-CE1 4.25Å; F236-F360 HydrophobicContact CZ-CE1 4.2Å; F360-D362 VanDerWaalsContact CD2-O 3.29Å; F360-D362 WeakPolarHBondContact CD2-O 3.41Å; F360-L369 HydrophobicContact CB-CD1 3.9Å; F360-L369 HydrophobicContact CB-CD2 4.31Å; F360-L369 HydrophobicContact CB-CG 4.08Å; F360-L369 HydrophobicContact CD1-CD1 4.44Å; F360-L369 HydrophobicContact CD1-CD2 3.98Å; F360-L369 HydrophobicContact CD2-CD1 3.97Å; F360-L369 HydrophobicContact CG-CD1 3.86Å; F360-L369 HydrophobicContact CG-CD2 4.18Å; F360-L369 HydrophobicContact CG-CG 4.3Å; F360-S370 WeakPolarHBondContact CB-O 3.36Å; F360-V371 HydrophobicContact CB-CG1 4.21Å
361C92.9Very high95.7Very high72 Ų7259 Ų5949%0.48632%0.319SS..SBendtrans-91.7-34.2-176.2-57.30000113.3P215 E216P215-C361 VanDerWaalsContact CB-O 3.27Å; P215-C361 WeakPolarHBondContact CB-O 3.22Å; E216-C361 VanDerWaalsContact OE1-CA 3.24Å; E216-C361 WeakPolarHBondContact OE1-CA 3.15Å; E216-C361 WeakPolarHBondContact OE1-CB 3.09Å; E216-C361 PolarHBondContact OE1-SG 3.22Å
362D93Very high95.8Very high81 Ų8155.9 Ų55.943%0.43331%0.308SS..SBendtrans-145171.4-179.6-162.4-5.7000108.9F360 L369F360-D362 VanDerWaalsContact CD2-O 3.29Å; F360-D362 WeakPolarHBondContact CD2-O 3.41Å; D362-L369 WeakPolarHBondContact O-CD1 3.46Å
363R92.7Very high96Very high120 Ų12052.6 Ų52.645%0.45328%0.28SS..SBendtrans-56.8163.1173.773.5-168.4176.7-77.71.8112F204 I365F204-R363 HydrophobicContact CB-CB 3.9Å; F204-R363 HydrophobicContact CG-CB 4.39Å; R363-I365 PolarHBondContact O-N 3.23Å
364P94.9Very high96.1Very high13 Ų1351.8 Ų51.88%0.08426%0.261CS..  trans-56.9138.9174.6-21.131.3000112.5F204 I368 L369F204-P364 HydrophobicContact CD2-CG 3.87Å; F204-P364 HydrophobicContact CE1-CG 4.31Å; F204-P364 HydrophobicContact CE2-CG 3.51Å; F204-P364 HydrophobicContact CG-CG 4.41Å; F204-P364 HydrophobicContact CZ-CG 3.76Å; P364-I368 VanDerWaalsContact CA-O 3.26Å; P364-I368 WeakPolarHBondContact CA-O 3.04Å; P364-L369 HydrophobicContact CB-CB 4.48Å; P364-L369 HydrophobicContact CG-CB 4.19Å; P364-L369 HydrophobicContact CG-CD1 3.94Å
365I93.8Very high96.1Very high117 Ų11748.3 Ų48.360%0.625%0.247SC*.BIsolated β-bridgetrans-107.8126.8170.4-58.8173.5000106.6R363 G367 I368R363-I365 PolarHBondContact O-N 3.23Å; I365-G367 PolarHBondContact O-N 3.32Å; I365-G367 VanDerWaalsContact O-N 3.15Å; I365-I368 PolarHBondContact N-O 2.8Å; I365-I368 PolarHBondContact O-N 2.75Å
366D91.4Very high96Very high146 Ų14646.1 Ų46.178%0.78124%0.243SC*.THydrogen-bonded Turntrans50.239-175.2-59.1-33.6000113.5R327 I368R327-D366 PolarHBondContact NH2-O 3.03Å; R327-D366 VanDerWaalsContact NH2-O 3.1Å; D366-I368 PolarHBondContact O-N 2.84Å
367G92.2Very high95.9Very high32 Ų3251.2 Ų51.233%0.3327%0.273SS..THydrogen-bonded Turntrans69.416.3-178.700000114.5I365I365-G367 PolarHBondContact O-N 3.32Å; I365-G367 VanDerWaalsContact O-N 3.15Å
368I96.1Very high95.8Very high44 Ų4451.2 Ų51.223%0.22628%0.284CS..BIsolated β-bridgetrans-113.7120.6175.4-53.9176.9000109.5Q329 P364 I365 D366Q329-I368 HydrophobicContact CB-CG2 3.97Å; Q329-I368 HydrophobicContact CG-CG2 3.72Å; P364-I368 VanDerWaalsContact CA-O 3.26Å; P364-I368 WeakPolarHBondContact CA-O 3.04Å; I365-I368 PolarHBondContact N-O 2.8Å; I365-I368 PolarHBondContact O-N 2.75Å; D366-I368 PolarHBondContact O-N 2.84Å
369L97.7Very high95.7Very high0 Ų054.3 Ų54.30%030%0.304CS..EExtended strand (participates in β ladder)trans-89.2118.1172.2-171.269.5000110.2F204 F236 I326 R327 C328 Q329 F360 D362 P364 V371F204-L369 HydrophobicContact CE1-CD1 3.89Å; F204-L369 HydrophobicContact CE1-CD2 4.03Å; F204-L369 HydrophobicContact CZ-CD1 4.32Å; F204-L369 HydrophobicContact CZ-CD2 4.17Å; F236-L369 HydrophobicContact CE2-CD2 4.34Å; F236-L369 HydrophobicContact CZ-CD2 4.06Å; I326-L369 HydrophobicContact CG2-CB 3.8Å; I326-L369 HydrophobicContact CG2-CD2 4.1Å; R327-L369 PolarHBondContact O-N 2.96Å; C328-L369 WeakPolarHBondContact CA-O 3.35Å; Q329-L369 PolarHBondContact N-O 3.27Å; F360-L369 HydrophobicContact CB-CD1 3.9Å; F360-L369 HydrophobicContact CB-CD2 4.31Å; F360-L369 HydrophobicContact CB-CG 4.08Å; F360-L369 HydrophobicContact CD1-CD1 4.44Å; F360-L369 HydrophobicContact CD1-CD2 3.98Å; F360-L369 HydrophobicContact CD2-CD1 3.97Å; F360-L369 HydrophobicContact CG-CD1 3.86Å; F360-L369 HydrophobicContact CG-CD2 4.18Å; F360-L369 HydrophobicContact CG-CG 4.3Å; D362-L369 WeakPolarHBondContact O-CD1 3.46Å; P364-L369 HydrophobicContact CB-CB 4.48Å; P364-L369 HydrophobicContact CG-CB 4.19Å; P364-L369 HydrophobicContact CG-CD1 3.94Å; L369-V371 HydrophobicContact CB-CG1 4.32Å; L369-V371 HydrophobicContact CD2-CG1 3.67Å; L369-V371 HydrophobicContact CG-CG1 3.67Å
370S97.3Very high95.6Very high43 Ų4353.2 Ų53.230%0.30130%0.301SS..EExtended strand (participates in β ladder)trans-80.7120.7172.7-66.80000110Q329 F360Q329-S370 PolarHBondContact NE2-OG 3.39Å; Q329-S370 WeakPolarHBondContact O-CA 3.07Å; F360-S370 WeakPolarHBondContact CB-O 3.36Å
371V98.2Very high95.5Very high0 Ų053.2 Ų53.20%030%0.301CS..EExtended strand (participates in β ladder)trans-130.3153-172.6-53.60000113.1F232 C328 Q329 I330 I331 V358 K359 F360 L369F232-V371 HydrophobicContact CE1-CG2 4.42Å; F232-V371 HydrophobicContact CE2-CG2 4.46Å; F232-V371 HydrophobicContact CZ-CG2 3.6Å; C328-V371 HydrophobicContact CB-CG2 4.23Å; Q329-V371 PolarHBondContact O-N 2.98Å; I330-V371 CarbonylContact C-O 3.57Å; I330-V371 VanDerWaalsContact CA-O 3.31Å; I330-V371 WeakPolarHBondContact CA-O 3.29Å; I331-V371 PolarHBondContact N-O 3.49Å; V358-V371 HydrophobicContact CB-CB 4.29Å; V358-V371 HydrophobicContact CB-CG1 4.38Å; V358-V371 HydrophobicContact CG1-CG2 4.42Å; K359-V371 CarbonylContact O-C 3.56Å; K359-V371 VanDerWaalsContact O-CA 3.28Å; K359-V371 WeakPolarHBondContact O-CA 3.39Å; F360-V371 HydrophobicContact CB-CG1 4.21Å; L369-V371 HydrophobicContact CB-CG1 4.32Å; L369-V371 HydrophobicContact CD2-CG1 3.67Å; L369-V371 HydrophobicContact CG-CG1 3.67Å
372N97.9Very high95.6Very high41 Ų4150.6 Ų50.622%0.21928%0.282CS..EExtended strand (participates in β ladder)trans-91.1139.7152.3-62.8-47.6000108.5V358 K359 Y374V358-N372 VanDerWaalsContact CA-O 3.32Å; V358-N372 WeakPolarHBondContact CA-O 3.35Å; K359-N372 PolarHBondContact N-O 3.04Å; K359-N372 PolarHBondContact O-N 2.95Å; N372-Y374 HydrophobicContact CB-CE2 3.49Å; N372-Y374 VanDerWaalsContact CB-CE2 3.49Å; N372-Y374 VanDerWaalsContact CB-OH 3.27Å; N372-Y374 WeakPolarHBondContact CB-OH 3.34Å
373L97.9Very high95.6Very high1 Ų151.6 Ų51.61%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-118.1128.3-174.7-175.968.7000110.7I223 W226 I330 F346 R356 V358 L381I223-L373 HydrophobicContact CD1-CD1 4.32Å; W226-L373 HydrophobicContact CH2-CD2 4.14Å; W226-L373 HydrophobicContact CZ3-CD2 3.85Å; I330-L373 HydrophobicContact CD1-CB 4.21Å; I330-L373 HydrophobicContact CD1-CD2 4.17Å; F346-L373 HydrophobicContact CE2-CD2 4.42Å; F346-L373 HydrophobicContact CZ-CD2 4.46Å; R356-L373 HydrophobicContact CB-CD1 3.81Å; R356-L373 HydrophobicContact CG-CD1 4.27Å; V358-L373 HydrophobicContact CG1-CD1 3.67Å; L373-L381 HydrophobicContact CD2-CD1 4.28Å; L373-L381 HydrophobicContact CG-CD1 4.22Å; L373-L381 PolarHBondContact O-N 2.95Å
374Y98.2Very high95.6Very high37 Ų3751.4 Ų51.415%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-126.1153.3-175-51-96.6000111.5M218 R356 Q357 K359 N372 G378 C379 D380M218-Y374 HydrophobicContact CE-CD2 3.5Å; M218-Y374 VanDerWaalsContact CE-CD2 3.5Å; M218-Y374 HydrophobicContact CE-CE2 3.97Å; M218-Y374 HydrophobicContact CE-CG 3.83Å; M218-Y374 HydrophobicContact SD-CD2 4.05Å; M218-Y374 HydrophobicContact SD-CE2 3.92Å; R356-Y374 WeakPolarHBondContact CB-O 3.23Å; R356-Y374 WeakPolarHBondContact CD-O 3.41Å; Q357-Y374 PolarHBondContact N-O 3.16Å; Q357-Y374 PolarHBondContact O-N 3.23Å; K359-Y374 HydrophobicContact CB-CE2 3.94Å; N372-Y374 HydrophobicContact CB-CE2 3.49Å; N372-Y374 VanDerWaalsContact CB-CE2 3.49Å; N372-Y374 VanDerWaalsContact CB-OH 3.27Å; N372-Y374 WeakPolarHBondContact CB-OH 3.34Å; Y374-G378 WeakPolarHBondContact CD1-O 3.48Å; Y374-C379 VanDerWaalsContact CA-O 3.24Å; Y374-C379 WeakPolarHBondContact CA-O 3.25Å; Y374-D380 HydrophobicContact CD1-CB 4.01Å; Y374-D380 HydrophobicContact CE1-CB 3.89Å
375N96.5Very high95.5Very high23 Ų2352.2 Ų52.212%0.12329%0.291CS..  trans-71.7-177.4162.270.71.6000110.4D377 G378 C379 L381N375-D377 PolarHBondContact ND2-OD2 3.5Å; N375-D377 PolarHBondContact O-N 3.03Å; N375-D377 PolarHBondContact OD1-N 2.92Å; N375-D377 VanDerWaalsContact OD1-N 3.08Å; N375-G378 PolarHBondContact O-N 3.49Å; N375-G378 PolarHBondContact OD1-N 2.89Å; N375-C379 PolarHBondContact N-O 2.91Å; N375-C379 WeakPolarHBondContact ND2-CB 3.38Å; N375-C379 WeakPolarHBondContact OD1-CA 3.28Å; N375-C379 WeakPolarHBondContact OD1-CB 3.46Å; N375-C379 PolarHBondContact OD1-N 3.46Å; N375-C379 PolarHBondContact OD1-O 3.3Å; N375-L381 HydrophobicContact CB-CD2 4.11Å
376L95.9Very high95.4Very high68 Ų6846.6 Ų46.636%0.35626%0.263SS..THydrogen-bonded Turntrans-74.3-17.1179.1-61.6180000113.3R355 Q357 G378R355-L376 HydrophobicContact CB-CD1 4.49Å; R355-L376 HydrophobicContact CG-CD2 4.09Å; Q357-L376 HydrophobicContact CG-CD2 4.3Å; L376-G378 VanDerWaalsContact C-N 3.27Å
377D95.8Very high95.3Very high139 Ų13940.7 Ų40.774%0.74324%0.236SC*.THydrogen-bonded Turntrans-85.7-0.8177.5-45.9-54.9000112.1N375N375-D377 PolarHBondContact ND2-OD2 3.5Å; N375-D377 PolarHBondContact O-N 3.03Å; N375-D377 PolarHBondContact OD1-N 2.92Å; N375-D377 VanDerWaalsContact OD1-N 3.08Å
378G95.2Very high95.2Very high40 Ų4044.6 Ų44.641%0.41225%0.246SC..  trans827.4-178.100000114.8Y374 N375 L376 D380Y374-G378 WeakPolarHBondContact CD1-O 3.48Å; N375-G378 PolarHBondContact O-N 3.49Å; N375-G378 PolarHBondContact OD1-N 2.89Å; L376-G378 VanDerWaalsContact C-N 3.27Å; G378-D380 PolarHBondContact O-N 2.88Å
379C96.2Very high94.8Very high64 Ų6444 Ų4443%0.43224%0.243SC..  trans-71.4125.8172.7-53.50000110.6Y374 N375 L381Y374-C379 VanDerWaalsContact CA-O 3.24Å; Y374-C379 WeakPolarHBondContact CA-O 3.25Å; N375-C379 PolarHBondContact N-O 2.91Å; N375-C379 WeakPolarHBondContact ND2-CB 3.38Å; N375-C379 WeakPolarHBondContact OD1-CA 3.28Å; N375-C379 WeakPolarHBondContact OD1-CB 3.46Å; N375-C379 PolarHBondContact OD1-N 3.46Å; N375-C379 PolarHBondContact OD1-O 3.3Å; C379-L381 PolarHBondContact O-N 2.91Å
380D96.6Very high94.3Very high35 Ų3546.7 Ų46.719%0.18726%0.255CS..BIsolated β-bridgetrans-65.1116.1172.8-173.8-46.8000109.9Y374 G378 F382 L383 K384Y374-D380 HydrophobicContact CD1-CB 4.01Å; Y374-D380 HydrophobicContact CE1-CB 3.89Å; G378-D380 PolarHBondContact O-N 2.88Å; D380-F382 WeakPolarHBondContact OD1-CA 3.34Å; D380-F382 WeakPolarHBondContact OD1-CB 3.47Å; D380-F382 PolarHBondContact OD1-N 3.4Å; D380-L383 HydrophobicContact CB-CB 4.07Å; D380-L383 HydrophobicContact CB-CD1 4.02Å; D380-L383 HydrophobicContact CB-CG 4.19Å; D380-L383 PolarHBondContact OD1-N 3.49Å; D380-K384 WeakPolarHBondContact O-CB 3.36Å; D380-K384 PolarHBondContact O-N 3.48Å
381L95.8Very high93.9Very high1 Ų150.4 Ų50.41%0.00526%0.262CS..Hα-helixtrans-75.2-28.6-176.2-68.5-176.9000112.7F346 L373 N375 C379 K384 H385F346-L381 HydrophobicContact CE2-CB 3.66Å; F346-L381 HydrophobicContact CE2-CD1 4.39Å; F346-L381 HydrophobicContact CZ-CB 4.08Å; L373-L381 HydrophobicContact CD2-CD1 4.28Å; L373-L381 HydrophobicContact CG-CD1 4.22Å; L373-L381 PolarHBondContact O-N 2.95Å; N375-L381 HydrophobicContact CB-CD2 4.11Å; C379-L381 PolarHBondContact O-N 2.91Å; L381-K384 HydrophobicContact CD2-CD 3.91Å; L381-K384 PolarHBondContact O-N 2.87Å; L381-H385 PolarHBondContact O-CD2 3.17Å; L381-H385 PolarHBondContact O-N 2.95Å; L381-H385 VanDerWaalsContact O-N 3.16Å
382F93.7Very high93.5Very high18 Ų1856 Ų568%0.07929%0.287CS..Hα-helixtrans-67.9-46.1175.6-175.2-104.8000110.2I330 F346 D380 K384 H385 F386 F390I330-F382 HydrophobicContact CG2-CB 3.84Å; I330-F382 HydrophobicContact CG2-CD2 3.63Å; I330-F382 HydrophobicContact CG2-CE2 4.34Å; I330-F382 HydrophobicContact CG2-CG 3.77Å; F346-F382 HydrophobicContact CE1-CD2 4.45Å; D380-F382 WeakPolarHBondContact OD1-CA 3.34Å; D380-F382 WeakPolarHBondContact OD1-CB 3.47Å; D380-F382 PolarHBondContact OD1-N 3.4Å; F382-K384 VanDerWaalsContact C-N 3.35Å; F382-K384 PolarHBondContact O-N 3.45Å; F382-H385 PolarHBondContact O-N 3.48Å; F382-F386 AromaticContact CD2-CD2 3.47Å; F382-F386 HydrophobicContact CD2-CD2 3.47Å; F382-F386 VanDerWaalsContact CD2-CD2 3.47Å; F382-F386 AromaticContact CD2-CE2 3.83Å; F382-F386 HydrophobicContact CD2-CE2 3.83Å; F382-F386 HydrophobicContact CD2-CG 4.33Å; F382-F386 HydrophobicContact CE2-CB 4.43Å; F382-F386 AromaticContact CE2-CD2 3.48Å; F382-F386 HydrophobicContact CE2-CD2 3.48Å; F382-F386 VanDerWaalsContact CE2-CD2 3.48Å; F382-F386 AromaticContact CE2-CE2 3.81Å; F382-F386 HydrophobicContact CE2-CE2 3.81Å; F382-F386 AromaticContact CE2-CG 3.99Å; F382-F386 HydrophobicContact CE2-CG 3.99Å; F382-F386 HydrophobicContact CG-CD2 4.21Å; F382-F386 HydrophobicContact CZ-CB 4.37Å; F382-F386 HydrophobicContact CZ-CD2 4.24Å; F382-F386 HydrophobicContact CZ-CG 4.35Å; F382-F386 WeakPolarHBondContact O-CB 3.24Å; F382-F386 WeakPolarHBondContact O-CD2 3.37Å; F382-F386 PolarHBondContact O-N 3.17Å; F382-F390 HydrophobicContact CD1-CE2 4.5Å; F382-F390 AromaticContact CE1-CE2 3.51Å; F382-F390 HydrophobicContact CE1-CE2 3.51Å; F382-F390 HydrophobicContact CE1-CZ 4.06Å; F382-F390 AromaticContact CZ-CE2 3.65Å; F382-F390 HydrophobicContact CZ-CE2 3.65Å; F382-F390 AromaticContact CZ-CZ 3.83Å; F382-F390 HydrophobicContact CZ-CZ 3.83Å
383L92.9Very high93Very high102 Ų10258.9 Ų58.953%0.53429%0.294SS..Hα-helixtrans-66.4-35.4174.7-66.7177.6000112.4D380 H385 G387D380-L383 HydrophobicContact CB-CB 4.07Å; D380-L383 HydrophobicContact CB-CD1 4.02Å; D380-L383 HydrophobicContact CB-CG 4.19Å; D380-L383 PolarHBondContact OD1-N 3.49Å; L383-H385 VanDerWaalsContact C-N 3.33Å; L383-H385 PolarHBondContact O-N 3.05Å; L383-G387 WeakPolarHBondContact O-CA 3.31Å; L383-G387 PolarHBondContact O-N 3.1Å
384K93.9Very high92.7Very high116 Ų11665 Ų6550%0.50432%0.323SS..Hα-helixtrans-56.5-46.6174.2-179.4-172174.5-170.60111.9D349 D380 L381 F382D349-K384 IonicContact OD1-NZ 2.65Å; D349-K384 IonicContact OD2-NZ 3.11Å; D349-K384 PolarHBondContact OD2-NZ 2.77Å; D380-K384 WeakPolarHBondContact O-CB 3.36Å; D380-K384 PolarHBondContact O-N 3.48Å; L381-K384 HydrophobicContact CD2-CD 3.91Å; L381-K384 PolarHBondContact O-N 2.87Å; F382-K384 VanDerWaalsContact C-N 3.35Å; F382-K384 PolarHBondContact O-N 3.45Å
385H92.9Very high92.4Very high29 Ų2966.8 Ų66.813%0.13433%0.333CS..Hα-helixtrans-88.7-40.2-173.6-74.4-68.8000113.3I342 F346 D349 L381 F382 L383I342-H385 HydrophobicContact CG2-CB 3.91Å; I342-H385 WeakPolarHBondContact CG2-O 3.35Å; F346-H385 HydrophobicContact CB-CB 4.29Å; F346-H385 HydrophobicContact CD1-CB 4.42Å; F346-H385 AromaticContact CD2-CD2 3.24Å; F346-H385 WeakPolarHBondContact CD2-CD2 3.46Å; F346-H385 AromaticContact CD2-NE2 3.69Å; F346-H385 AromaticContact CE2-CD2 3.82Å; F346-H385 HydrophobicContact CG-CB 4.26Å; F346-H385 AromaticContact CG-CD2 3.56Å; F346-H385 AromaticContact CG-CG 3.91Å; D349-H385 IonicContact OD2-CD2 2.69Å; D349-H385 IonicContact OD2-CE1 3.95Å; D349-H385 PolarHBondContact OD2-CE1 3.34Å; D349-H385 IonicContact OD2-NE2 2.7Å; D349-H385 PolarHBondContact OD2-NE2 3.28Å; L381-H385 PolarHBondContact O-CD2 3.17Å; L381-H385 PolarHBondContact O-N 2.95Å; L381-H385 VanDerWaalsContact O-N 3.16Å; F382-H385 PolarHBondContact O-N 3.48Å; L383-H385 VanDerWaalsContact C-N 3.33Å; L383-H385 PolarHBondContact O-N 3.05Å
386F91.6Very high92.2Very high0 Ų067.4 Ų67.40%034%0.341CS..Hα-helixtrans-104.5-11.1-175.3-62.5-87.3000114.1P229 T337 F338 I342 L343 F346 F382 E388 L389 F390P229-F386 HydrophobicContact CG-CE2 4.13Å; P229-F386 HydrophobicContact CG-CZ 4.13Å; T337-F386 WeakPolarHBondContact O-CE1 3.39Å; F338-F386 HydrophobicContact CD1-CZ 4.49Å; I342-F386 HydrophobicContact CB-CE1 4.4Å; I342-F386 HydrophobicContact CG2-CD1 3.86Å; I342-F386 HydrophobicContact CG2-CD2 4.43Å; I342-F386 HydrophobicContact CG2-CE1 3.68Å; I342-F386 HydrophobicContact CG2-CE2 4.3Å; I342-F386 HydrophobicContact CG2-CG 4.24Å; I342-F386 HydrophobicContact CG2-CZ 3.92Å; L343-F386 HydrophobicContact CD2-CZ 4.07Å; F346-F386 HydrophobicContact CD1-CD2 4.43Å; F346-F386 AromaticContact CD1-CE2 3.52Å; F346-F386 HydrophobicContact CD1-CE2 3.52Å; F346-F386 HydrophobicContact CD1-CZ 4.24Å; F346-F386 HydrophobicContact CE1-CD2 4.41Å; F346-F386 AromaticContact CE1-CE2 3.72Å; F346-F386 HydrophobicContact CE1-CE2 3.72Å; F382-F386 AromaticContact CD2-CD2 3.47Å; F382-F386 HydrophobicContact CD2-CD2 3.47Å; F382-F386 VanDerWaalsContact CD2-CD2 3.47Å; F382-F386 AromaticContact CD2-CE2 3.83Å; F382-F386 HydrophobicContact CD2-CE2 3.83Å; F382-F386 HydrophobicContact CD2-CG 4.33Å; F382-F386 HydrophobicContact CE2-CB 4.43Å; F382-F386 AromaticContact CE2-CD2 3.48Å; F382-F386 HydrophobicContact CE2-CD2 3.48Å; F382-F386 VanDerWaalsContact CE2-CD2 3.48Å; F382-F386 AromaticContact CE2-CE2 3.81Å; F382-F386 HydrophobicContact CE2-CE2 3.81Å; F382-F386 AromaticContact CE2-CG 3.99Å; F382-F386 HydrophobicContact CE2-CG 3.99Å; F382-F386 HydrophobicContact CG-CD2 4.21Å; F382-F386 HydrophobicContact CZ-CB 4.37Å; F382-F386 HydrophobicContact CZ-CD2 4.24Å; F382-F386 HydrophobicContact CZ-CG 4.35Å; F382-F386 WeakPolarHBondContact O-CB 3.24Å; F382-F386 WeakPolarHBondContact O-CD2 3.37Å; F382-F386 PolarHBondContact O-N 3.17Å; F386-E388 VanDerWaalsContact C-N 3.32Å; F386-E388 PolarHBondContact O-N 3.46Å; F386-L389 HydrophobicContact CD1-CD2 4.09Å; F386-L389 WeakPolarHBondContact O-CB 3.37Å; F386-L389 PolarHBondContact O-N 3.08Å; F386-L389 VanDerWaalsContact O-N 3.08Å; F386-F390 HydrophobicContact CB-CD2 3.87Å; F386-F390 HydrophobicContact CB-CE2 3.46Å; F386-F390 VanDerWaalsContact CB-CE2 3.46Å; F386-F390 HydrophobicContact CB-CZ 4.28Å; F386-F390 HydrophobicContact CG-CE2 4.41Å; F386-F390 WeakPolarHBondContact O-CD2 3.46Å; F386-F390 PolarHBondContact O-N 2.96Å
387G89.7Confident92.1Very high22 Ų2268.6 Ų68.623%0.22735%0.345CS..Hα-helixtrans-59.4-40.3-175.900000113.1L383 F390 R391L383-G387 WeakPolarHBondContact O-CA 3.31Å; L383-G387 PolarHBondContact O-N 3.1Å; G387-F390 PolarHBondContact O-N 3.24Å; G387-R391 WeakPolarHBondContact O-CB 3.34Å; G387-R391 PolarHBondContact O-N 3.15Å
388E88.6Confident92Very high113 Ų11367.4 Ų67.453%0.52833%0.33SS..Hα-helixtrans-65.6-39.2175-65.4-151.1138.800113F386 R391 K392F386-E388 VanDerWaalsContact C-N 3.32Å; F386-E388 PolarHBondContact O-N 3.46Å; E388-R391 PolarHBondContact O-N 3.42Å; E388-R391 IonicContact OE1-NH2 3.02Å; E388-R391 PolarHBondContact OE1-NH2 3.48Å; E388-K392 WeakPolarHBondContact O-CB 3.06Å; E388-K392 WeakPolarHBondContact O-CG 3.33Å; E388-K392 PolarHBondContact O-N 2.86Å
389L87.6Confident92Very high31 Ų3170.8 Ų70.816%0.16234%0.335CS..Hα-helixtrans-62.3-47.7177.6176.274.9000110.4Y339 I342 F386 K392 R393Y339-L389 HydrophobicContact CD2-CD1 3.72Å; Y339-L389 HydrophobicContact CD2-CD2 3.53Å; Y339-L389 HydrophobicContact CD2-CG 4.26Å; Y339-L389 HydrophobicContact CE2-CD1 3.41Å; Y339-L389 VanDerWaalsContact CE2-CD1 3.41Å; Y339-L389 HydrophobicContact CE2-CD2 3.57Å; Y339-L389 HydrophobicContact CE2-CG 4.05Å; I342-L389 HydrophobicContact CD1-CB 4.08Å; I342-L389 HydrophobicContact CD1-CD1 4.44Å; I342-L389 HydrophobicContact CD1-CD2 4.08Å; I342-L389 HydrophobicContact CD1-CG 4.43Å; F386-L389 HydrophobicContact CD1-CD2 4.09Å; F386-L389 WeakPolarHBondContact O-CB 3.37Å; F386-L389 PolarHBondContact O-N 3.08Å; F386-L389 VanDerWaalsContact O-N 3.08Å; L389-K392 PolarHBondContact O-N 3.16Å; L389-R393 WeakPolarHBondContact O-CB 3.13Å; L389-R393 PolarHBondContact O-N 3.03Å
390F87.5Confident91.8Very high58 Ų5876.4 Ų76.425%0.25435%0.347SS..Hα-helixtrans-63.4-42.7178.8-69.3-55000112T337 F382 F386 G387 R393 E394T337-F390 HydrophobicContact CG2-CE1 3.46Å; T337-F390 VanDerWaalsContact CG2-CE1 3.46Å; T337-F390 HydrophobicContact CG2-CZ 3.6Å; F382-F390 HydrophobicContact CD1-CE2 4.5Å; F382-F390 AromaticContact CE1-CE2 3.51Å; F382-F390 HydrophobicContact CE1-CE2 3.51Å; F382-F390 HydrophobicContact CE1-CZ 4.06Å; F382-F390 AromaticContact CZ-CE2 3.65Å; F382-F390 HydrophobicContact CZ-CE2 3.65Å; F382-F390 AromaticContact CZ-CZ 3.83Å; F382-F390 HydrophobicContact CZ-CZ 3.83Å; F386-F390 HydrophobicContact CB-CD2 3.87Å; F386-F390 HydrophobicContact CB-CE2 3.46Å; F386-F390 VanDerWaalsContact CB-CE2 3.46Å; F386-F390 HydrophobicContact CB-CZ 4.28Å; F386-F390 HydrophobicContact CG-CE2 4.41Å; F386-F390 WeakPolarHBondContact O-CD2 3.46Å; F386-F390 PolarHBondContact O-N 2.96Å; G387-F390 PolarHBondContact O-N 3.24Å; F390-R393 PolarHBondContact O-N 2.86Å; F390-E394 WeakPolarHBondContact O-CB 3.36Å; F390-E394 PolarHBondContact O-N 2.96Å
391R89.2Confident91.6Very high120 Ų12079.8 Ų79.845%0.45336%0.36SS..Hα-helixtrans-59.6-47.3175.5178.9172.453.2103.4-3.8111.9G387 E388 R393 E394 E395G387-R391 WeakPolarHBondContact O-CB 3.34Å; G387-R391 PolarHBondContact O-N 3.15Å; E388-R391 PolarHBondContact O-N 3.42Å; E388-R391 IonicContact OE1-NH2 3.02Å; E388-R391 PolarHBondContact OE1-NH2 3.48Å; R391-R393 PolarHBondContact O-N 3.46Å; R391-E394 PolarHBondContact O-N 2.75Å; R391-E395 WeakPolarHBondContact CG-OE1 3.19Å; R391-E395 WeakPolarHBondContact O-CB 3.4Å; R391-E395 VanDerWaalsContact O-CG 3.3Å; R391-E395 WeakPolarHBondContact O-CG 3.36Å; R391-E395 PolarHBondContact O-N 2.85Å
392K90Very high91.5Very high119 Ų11983.7 Ų83.752%0.51738%0.378SS..Hα-helixtrans-63.6-40.1176.7-75.1177.1178.8171.40112.4E388 L389 E395 A396E388-K392 WeakPolarHBondContact O-CB 3.06Å; E388-K392 WeakPolarHBondContact O-CG 3.33Å; E388-K392 PolarHBondContact O-N 2.86Å; L389-K392 PolarHBondContact O-N 3.16Å; K392-E395 PolarHBondContact O-N 3.4Å; K392-A396 VanDerWaalsContact O-CB 3.31Å; K392-A396 WeakPolarHBondContact O-CB 3.48Å; K392-A396 PolarHBondContact O-N 2.83Å
393R88.2Confident91.4Very high100 Ų10084.9 Ų84.938%0.37739%0.391SS..Hα-helixtrans-63-45.8177.1-177.2-179-75.2-176.6-3.3111N336 L389 F390 R391 A396 E397N336-R393 PolarHBondContact O-NH2 3.41Å; L389-R393 WeakPolarHBondContact O-CB 3.13Å; L389-R393 PolarHBondContact O-N 3.03Å; F390-R393 PolarHBondContact O-N 2.86Å; R391-R393 PolarHBondContact O-N 3.46Å; R393-A396 PolarHBondContact O-N 3.27Å; R393-E397 WeakPolarHBondContact O-CB 3.25Å; R393-E397 PolarHBondContact O-N 2.8Å
394E89.9Confident91.3Very high130 Ų13081.6 Ų81.661%0.60738%0.379SS*.Hα-helixtrans-63.5-44.5177.2-176.9172.9-160.200111.9F390 R391 A396 E397 R398F390-E394 WeakPolarHBondContact O-CB 3.36Å; F390-E394 PolarHBondContact O-N 2.96Å; R391-E394 PolarHBondContact O-N 2.75Å; E394-A396 PolarHBondContact O-N 3.35Å; E394-E397 PolarHBondContact O-N 2.7Å; E394-R398 WeakPolarHBondContact O-CB 3.47Å; E394-R398 PolarHBondContact O-N 2.83Å
395E92.8Very high90.9Very high75 Ų7582.4 Ų82.435%0.3539%0.386SS..Hα-helixtrans-60.8-43.2174.9-75170.4-167.200112.2R391 K392 R398 Q399R391-E395 WeakPolarHBondContact CG-OE1 3.19Å; R391-E395 WeakPolarHBondContact O-CB 3.4Å; R391-E395 VanDerWaalsContact O-CG 3.3Å; R391-E395 WeakPolarHBondContact O-CG 3.36Å; R391-E395 PolarHBondContact O-N 2.85Å; K392-E395 PolarHBondContact O-N 3.4Å; E395-R398 PolarHBondContact O-N 2.8Å; E395-Q399 VanDerWaalsContact O-CG 3.29Å; E395-Q399 WeakPolarHBondContact O-CG 3.48Å; E395-Q399 PolarHBondContact O-N 3.34Å
396A92.9Very high90.6Very high35 Ų3588.4 Ų88.429%0.28941%0.412SS..Hα-helixtrans-65.8-40.7177.600000112.1K392 R393 E394 Q399 R400K392-A396 VanDerWaalsContact O-CB 3.31Å; K392-A396 WeakPolarHBondContact O-CB 3.48Å; K392-A396 PolarHBondContact O-N 2.83Å; R393-A396 PolarHBondContact O-N 3.27Å; E394-A396 PolarHBondContact O-N 3.35Å; A396-Q399 PolarHBondContact O-N 3.37Å; A396-R400 VanDerWaalsContact O-CG 3.31Å; A396-R400 WeakPolarHBondContact O-CG 3.36Å; A396-R400 PolarHBondContact O-N 3.17Å
397E93Very high90Very high94 Ų9498.1 Ų98.144%0.43945%0.448SS..Hα-helixtrans-62.9-44.1175.8-168.8-172.1155.600111.3R393 E394 Q399 R400 K401R393-E397 WeakPolarHBondContact O-CB 3.25Å; R393-E397 PolarHBondContact O-N 2.8Å; E394-E397 PolarHBondContact O-N 2.7Å; E397-Q399 PolarHBondContact O-N 3.36Å; E397-R400 PolarHBondContact O-N 3.35Å; E397-K401 WeakPolarHBondContact O-CG 3.4Å; E397-K401 PolarHBondContact O-N 3.22Å; E397-K401 WeakPolarHBondContact OE1-CE 3.48Å; E397-K401 IonicContact OE1-NZ 2.88Å; E397-K401 PolarHBondContact OE1-NZ 2.9Å
398R94.8Very high89.1Confident114 Ų114101 Ų10143%0.4346%0.457SS..Hα-helixtrans-59.6-46.1174.5-179-174.852.370.23.1111.5E394 E395 R400 K401 E402E394-R398 WeakPolarHBondContact O-CB 3.47Å; E394-R398 PolarHBondContact O-N 2.83Å; E395-R398 PolarHBondContact O-N 2.8Å; R398-R400 VanDerWaalsContact C-N 3.34Å; R398-R400 PolarHBondContact O-N 2.7Å; R398-K401 PolarHBondContact O-N 2.7Å; R398-E402 WeakPolarHBondContact CG-OE1 3.44Å; R398-E402 IonicContact CZ-OE1 3.78Å; R398-E402 IonicContact NH1-OE1 3.2Å; R398-E402 PolarHBondContact NH1-OE1 2.95Å; R398-E402 IonicContact NH1-OE2 2.75Å; R398-E402 WeakPolarHBondContact O-CG 2.87Å; R398-E402 PolarHBondContact O-N 3.35Å
399Q94.5Very high88Confident111 Ų11199 Ų9952%0.51945%0.452SS..Hα-helixtrans-62-40176.8-72.2174.217.300112.3E395 A396 E397 E402 A403E395-Q399 VanDerWaalsContact O-CG 3.29Å; E395-Q399 WeakPolarHBondContact O-CG 3.48Å; E395-Q399 PolarHBondContact O-N 3.34Å; A396-Q399 PolarHBondContact O-N 3.37Å; E397-Q399 PolarHBondContact O-N 3.36Å; Q399-E402 PolarHBondContact O-N 3.08Å; Q399-A403 VanDerWaalsContact O-CB 3.29Å; Q399-A403 WeakPolarHBondContact O-CB 3.46Å; Q399-A403 PolarHBondContact O-N 3.48Å
400R92.8Very high86.8Confident182 Ų182102.5 Ų102.569%0.68747%0.466SS*.Hα-helixtrans-62.1-44.3174.8-73.7172.9-176.2173.8-1.1111.5A396 E397 R398 A403 A404A396-R400 VanDerWaalsContact O-CG 3.31Å; A396-R400 WeakPolarHBondContact O-CG 3.36Å; A396-R400 PolarHBondContact O-N 3.17Å; E397-R400 PolarHBondContact O-N 3.35Å; R398-R400 VanDerWaalsContact C-N 3.34Å; R398-R400 PolarHBondContact O-N 2.7Å; R400-A403 PolarHBondContact O-N 3.2Å; R400-A404 WeakPolarHBondContact O-CB 3.3Å; R400-A404 PolarHBondContact O-N 3.31Å
401K92.6Very high85.7Confident105 Ų105103.6 Ų103.646%0.45748%0.478SS..Hα-helixtrans-61.9-46.3175.2-72176.2-176.1169.40111.9E397 R398 A403 A404 M405E397-K401 WeakPolarHBondContact O-CG 3.4Å; E397-K401 PolarHBondContact O-N 3.22Å; E397-K401 WeakPolarHBondContact OE1-CE 3.48Å; E397-K401 IonicContact OE1-NZ 2.88Å; E397-K401 PolarHBondContact OE1-NZ 2.9Å; R398-K401 PolarHBondContact O-N 2.7Å; K401-A403 PolarHBondContact O-N 3.2Å; K401-A404 PolarHBondContact O-N 3.33Å; K401-M405 WeakPolarHBondContact O-CG 3.44Å; K401-M405 PolarHBondContact O-N 3.39Å
402E92.5Very high84.3Confident83 Ų83100.3 Ų100.339%0.38847%0.469SS..Hα-helixtrans-62.9-39.9176.6-72.6172.5-158.400112.4R398 Q399 M405 K406R398-E402 WeakPolarHBondContact CG-OE1 3.44Å; R398-E402 IonicContact CZ-OE1 3.78Å; R398-E402 IonicContact NH1-OE1 3.2Å; R398-E402 PolarHBondContact NH1-OE1 2.95Å; R398-E402 IonicContact NH1-OE2 2.75Å; R398-E402 WeakPolarHBondContact O-CG 2.87Å; R398-E402 PolarHBondContact O-N 3.35Å; Q399-E402 PolarHBondContact O-N 3.08Å; E402-M405 PolarHBondContact O-N 2.96Å; E402-K406 WeakPolarHBondContact O-CG 2.97Å; E402-K406 PolarHBondContact O-N 3.18Å
403A91Very high83.2Confident43 Ų43106.7 Ų106.736%0.35549%0.49SS..Hα-helixtrans-68.1-40.1176.700000112.1Q399 R400 K401 K406 R407Q399-A403 VanDerWaalsContact O-CB 3.29Å; Q399-A403 WeakPolarHBondContact O-CB 3.46Å; Q399-A403 PolarHBondContact O-N 3.48Å; R400-A403 PolarHBondContact O-N 3.2Å; K401-A403 PolarHBondContact O-N 3.2Å; A403-K406 PolarHBondContact O-N 2.69Å; A403-R407 WeakPolarHBondContact O-CG 3.5Å; A403-R407 PolarHBondContact O-N 2.71Å
404A90.9Very high82.2Confident34 Ų34109.6 Ų109.628%0.28151%0.511SS..Hα-helixtrans-60.7-47.6173.300000110.9R400 K401 K406 R407 M408R400-A404 WeakPolarHBondContact O-CB 3.3Å; R400-A404 PolarHBondContact O-N 3.31Å; K401-A404 PolarHBondContact O-N 3.33Å; A404-K406 VanDerWaalsContact C-N 3.33Å; A404-K406 PolarHBondContact O-N 3.44Å; A404-R407 PolarHBondContact O-N 2.84Å; A404-R407 VanDerWaalsContact O-N 3.11Å; A404-M408 WeakPolarHBondContact O-CG 3.49Å; A404-M408 PolarHBondContact O-N 2.9Å
405M86.6Confident81.3Confident132 Ų132107.7 Ų107.765%0.6551%0.508SS*.Hα-helixtrans-59.1-41.3175.4-71.5-179.3-174.200112.4K401 E402 R407 M408K401-M405 WeakPolarHBondContact O-CG 3.44Å; K401-M405 PolarHBondContact O-N 3.39Å; E402-M405 PolarHBondContact O-N 2.96Å; M405-R407 VanDerWaalsContact C-N 3.33Å; M405-R407 PolarHBondContact O-N 3.14Å; M405-M408 PolarHBondContact O-N 3.39Å
406K85.3Confident79.9Confident155 Ų155106.8 Ų106.867%0.67452%0.519SS*.Hα-helixtrans-64.8-34.3176.2-75.4174.4-177.71740112.8E402 A403 A404 M408 V409E402-K406 WeakPolarHBondContact O-CG 2.97Å; E402-K406 PolarHBondContact O-N 3.18Å; A403-K406 PolarHBondContact O-N 2.69Å; A404-K406 VanDerWaalsContact C-N 3.33Å; A404-K406 PolarHBondContact O-N 3.44Å; K406-M408 VanDerWaalsContact C-N 3.34Å; K406-V409 PolarHBondContact O-N 2.89Å
407R80.1Confident78.5Confident204 Ų204113.8 Ų113.877%0.7754%0.538SS*.Hα-helixtrans-70.1-28.6177-74175.1-179.9175.50.1113A403 A404 M405 V409A403-R407 WeakPolarHBondContact O-CG 3.5Å; A403-R407 PolarHBondContact O-N 2.71Å; A404-R407 PolarHBondContact O-N 2.84Å; A404-R407 VanDerWaalsContact O-N 3.11Å; M405-R407 VanDerWaalsContact C-N 3.33Å; M405-R407 PolarHBondContact O-N 3.14Å; R407-V409 PolarHBondContact O-N 2.76Å
408M70Confident77Confident82 Ų82113 Ų11340%0.40454%0.54SS..THydrogen-bonded Turntrans-71.9-13.8174.5-63.1179.791.800113A404 M405 K406 K410A404-M408 WeakPolarHBondContact O-CG 3.49Å; A404-M408 PolarHBondContact O-N 2.9Å; M405-M408 PolarHBondContact O-N 3.39Å; K406-M408 VanDerWaalsContact C-N 3.34Å; M408-K410 PolarHBondContact O-N 2.91Å
409V65.6Low75.3Confident71 Ų71111 Ų11143%0.4354%0.538SS..EExtended strand (participates in β ladder)trans-92.185.9174.7-174.60000108.7K406 R407 V418K406-V409 PolarHBondContact O-N 2.89Å; R407-V409 PolarHBondContact O-N 2.76Å; V409-V418 HydrophobicContact CG1-CG1 3.61Å
410K63.4Low73.6Confident105 Ų105115.7 Ų115.746%0.45755%0.551SS.*EExtended strand (participates in β ladder)trans-87.2117.4172-71.1173.6-177.5157.30108.9M408 N419 E421M408-K410 PolarHBondContact O-N 2.91Å; K410-N419 PolarHBondContact N-O 2.99Å; K410-N419 WeakPolarHBondContact O-CA 3.23Å; K410-N419 WeakPolarHBondContact O-CB 3.42Å; K410-N419 PolarHBondContact O-N 3.09Å; K410-E421 VanDerWaalsContact NZ-CD 3.28Å; K410-E421 IonicContact NZ-OE1 3.87Å; K410-E421 PolarHBondContact NZ-OE1 3.43Å; K410-E421 IonicContact NZ-OE2 2.63Å; K410-E421 PolarHBondContact NZ-OE2 2.95Å
411V63.5Low71.8Confident82 Ų82112.1 Ų112.150%0.49754%0.542SS..EExtended strand (participates in β ladder)trans-88.2119.8168.7-175.40000107.8R413 V418V411-R413 PolarHBondContact O-N 3.34Å; V411-V418 HydrophobicContact CG2-CG2 4.32Å
412D61.1Low69.9Low50 Ų50111.2 Ų111.227%0.26755%0.554SS.*  trans-63.6115.9169.6179.1-18.1000108.7I414 T415 G416 R417D412-I414 PolarHBondContact O-N 2.99Å; D412-I414 WeakPolarHBondContact OD1-CB 3.39Å; D412-I414 PolarHBondContact OD1-N 2.97Å; D412-T415 VanDerWaalsContact CB-OG1 3.26Å; D412-T415 WeakPolarHBondContact CB-OG1 3.37Å; D412-T415 PolarHBondContact OD1-N 3.09Å; D412-T415 WeakPolarHBondContact OD2-CG2 2.94Å; D412-T415 PolarHBondContact OD2-OG1 2.89Å; D412-G416 WeakPolarHBondContact O-CA 3.29Å; D412-G416 PolarHBondContact O-N 3.29Å; D412-R417 PolarHBondContact N-O 2.9Å
413R66.2Low67.8Low253 Ų253114.4 Ų114.496%0.95557%0.574SS**THydrogen-bonded Turntrans-65.9-19.4-177.2-76-176.3166.8-175.7-3.6113.6V411V411-R413 PolarHBondContact O-N 3.34Å
414I67.7Low65.8Low161 Ų161119.1 Ų119.183%0.82659%0.592SS**THydrogen-bonded Turntrans-93.1-40.9-177-58.5174.1000110.3D412D412-I414 PolarHBondContact O-N 2.99Å; D412-I414 WeakPolarHBondContact OD1-CB 3.39Å; D412-I414 PolarHBondContact OD1-N 2.97Å
415T69.4Low63.9Low90 Ų90121.2 Ų121.255%0.55261%0.605SS**THydrogen-bonded Turntrans-100.5-9.1-174.7630000113.9D412 R417D412-T415 VanDerWaalsContact CB-OG1 3.26Å; D412-T415 WeakPolarHBondContact CB-OG1 3.37Å; D412-T415 PolarHBondContact OD1-N 3.09Å; D412-T415 WeakPolarHBondContact OD2-CG2 2.94Å; D412-T415 PolarHBondContact OD2-OG1 2.89Å; T415-R417 PolarHBondContact O-N 2.94Å; T415-R417 VanDerWaalsContact O-N 3.11Å; T415-R417 VanDerWaalsContact OG1-CB 3.28Å; T415-R417 WeakPolarHBondContact OG1-CB 3.48Å; T415-R417 PolarHBondContact OG1-N 3.34Å
416G64.5Low62.4Low56 Ų56122.5 Ų122.558%0.57761%0.614SS**  trans64.66.6-171.400000113.3D412D412-G416 WeakPolarHBondContact O-CA 3.29Å; D412-G416 PolarHBondContact O-N 3.29Å
417R62.6Low60.8Low182 Ų182122.6 Ų122.669%0.68762%0.617SS**  trans-82.6130-172.5-151.4178.2-160.6-168.84.2109.7D412 T415 N419D412-R417 PolarHBondContact N-O 2.9Å; T415-R417 PolarHBondContact O-N 2.94Å; T415-R417 VanDerWaalsContact O-N 3.11Å; T415-R417 VanDerWaalsContact OG1-CB 3.28Å; T415-R417 WeakPolarHBondContact OG1-CB 3.48Å; T415-R417 PolarHBondContact OG1-N 3.34Å; R417-N419 PolarHBondContact O-N 3.44Å
418V61.3Low59.3Low78 Ų78119.4 Ų119.447%0.47362%0.615SS.*EExtended strand (participates in β ladder)trans-76.8106173.6-177.40000108.2V409 V411 R420V409-V418 HydrophobicContact CG1-CG1 3.61Å; V411-V418 HydrophobicContact CG2-CG2 4.32Å; V418-R420 HydrophobicContact CG1-CG 4.35Å; V418-R420 PolarHBondContact O-N 3.37Å
419N60Low58.2Low72 Ų72124 Ų12439%0.38563%0.629SS.*EExtended strand (participates in β ladder)trans-84.7104.3168.7-66.8-26.1000107.5K410 R417 E421K410-N419 PolarHBondContact N-O 2.99Å; K410-N419 WeakPolarHBondContact O-CA 3.23Å; K410-N419 WeakPolarHBondContact O-CB 3.42Å; K410-N419 PolarHBondContact O-N 3.09Å; R417-N419 PolarHBondContact O-N 3.44Å; N419-E421 PolarHBondContact O-N 3.47Å
420R58Low57.1Low210 Ų210128 Ų12879%0.79265%0.648SS**EExtended strand (participates in β ladder)trans-79.6103.3160.1-65.3-179.6-177.9164.10.3105.5V418 A422V418-R420 HydrophobicContact CG1-CG 4.35Å; V418-R420 PolarHBondContact O-N 3.37Å; R420-A422 PolarHBondContact O-N 3.1Å; R420-A422 VanDerWaalsContact O-N 3.11Å
421E56.1Low55.7Low106 Ų106129.1 Ų129.150%0.49567%0.667SS.*  trans-63.1113.4164.1-90.7168.2178.300106.5K410 N419K410-E421 VanDerWaalsContact NZ-CD 3.28Å; K410-E421 IonicContact NZ-OE1 3.87Å; K410-E421 PolarHBondContact NZ-OE1 3.43Å; K410-E421 IonicContact NZ-OE2 2.63Å; K410-E421 PolarHBondContact NZ-OE2 2.95Å; N419-E421 PolarHBondContact O-N 3.47Å
422A52.8Low54.6Low87 Ų87129.6 Ų129.672%0.71967%0.674SS**  trans-71.8127.617900000109.3R420 L424R420-A422 PolarHBondContact O-N 3.1Å; R420-A422 VanDerWaalsContact O-N 3.11Å; A422-L424 PolarHBondContact O-N 3.35Å
423D48.5Very low53.6Low150 Ų150136.5 Ų136.580%0.80271%0.705SS**  trans2789.1160.4-64.8-19.3000116.2
424L49.1Very low52.4Low142 Ų142131.1 Ų131.174%0.74370%0.695SS**  trans-76.3121.5150.2-67.7173.2000106.8A422A422-L424 PolarHBondContact O-N 3.35Å
425S49.6Very low50.9Low78 Ų78131.9 Ų131.955%0.54570%0.695SS.*  trans-39.9143.7179.947.90000114.2E427S425-E427 PolarHBondContact O-N 3.04Å
426D55.1Low49.3Very low159 Ų159134.8 Ų134.885%0.8571%0.707SS**G310 helixtrans-55.1-0.9179-69.7-36.4000115.9
427E52.3Low47.7Very low157 Ų157138.5 Ų138.573%0.73471%0.712SS**G310 helixtrans-84.3-14.1-172.4-62.5-63.6157.400114.5S425S425-E427 PolarHBondContact O-N 3.04Å
428D47.8Very low46.2Very low137 Ų137138.3 Ų138.373%0.73372%0.717SS**G310 helixtrans-98.27.2179.8-72.7-25.7000114.1L430D428-L430 PolarHBondContact O-N 2.87Å; D428-L430 VanDerWaalsContact O-N 3.12Å
429Y46.9Very low44.8Very low177 Ų177140.6 Ų140.669%0.69473%0.725SS**  trans-84.128.8-179.8-137.9-89.5000114
430L44Very low43.4Very low157 Ų157143.8 Ų143.882%0.82274%0.741SS**  trans-126.354.6179.3-74.5174.4000111.5D428D428-L430 PolarHBondContact O-N 2.87Å; D428-L430 VanDerWaalsContact O-N 3.12Å
431C34.1Very low42.1Very low127 Ų127141.8 Ų141.886%0.85874%0.741SS**  trans-163.680.2167.3-104.60000112.8
432S40.3Very low40.9Very low92 Ų92146.1 Ų146.164%0.64376%0.761SS**  trans-167.77014067.60000107.7D434S432-D434 PolarHBondContact O-N 3.37Å
433E39.4Very low40.1Very low196 Ų196147.1 Ų147.192%0.91676%0.763SS**  trans-69.471.8149-69.3-175.2167.900105.9E435E433-E435 PolarHBondContact O-N 3.09Å
434D41.8Very low39.3Very low139 Ų139147.3 Ų147.374%0.74376%0.764SS**  trans-68.1116.7166.7-76.8-29.7000106.1S432 D436S432-D434 PolarHBondContact O-N 3.37Å; D434-D436 PolarHBondContact O-N 3.43Å
435E36.2Very low38.6Very low177 Ų177150.3 Ų150.383%0.82777%0.771SS**  trans-53.399.6-175-57.4-173.8154.200112.2E433E433-E435 PolarHBondContact O-N 3.09Å
436D35.2Very low37.6Very low152 Ų152155.5 Ų155.581%0.81379%0.787SS**  trans-107.846.1151.8-77.6-34.6000109D434 F438D434-D436 PolarHBondContact O-N 3.43Å; D436-F438 PolarHBondContact O-N 3.32Å
437I31.4Very low36.4Very low133 Ų133153.1 Ų153.168%0.68278%0.782SS**  trans-86.587.9159.8-58.5-179.6000105.9I439I437-I439 HydrophobicContact CG2-CD1 4.22Å; I437-I439 HydrophobicContact CG2-CG1 3.48Å; I437-I439 VanDerWaalsContact CG2-CG1 3.48Å; I437-I439 PolarHBondContact O-N 2.96Å
438F30.8Very low35.5Very low179 Ų179154.6 Ų154.679%0.78579%0.787SS**  trans-66.485162.1-106.8-92.9000108.1D436 L440D436-F438 PolarHBondContact O-N 3.32Å; F438-L440 VanDerWaalsContact C-N 3.35Å; F438-L440 PolarHBondContact O-N 3.28Å; F438-L440 VanDerWaalsContact O-N 3.07Å
439I31.6Very low34.8Very low126 Ų126155.1 Ų155.165%0.64679%0.789SS**  trans-67.5100.9160.6-56.1-171.8000105.4I437 Q441I437-I439 HydrophobicContact CG2-CD1 4.22Å; I437-I439 HydrophobicContact CG2-CG1 3.48Å; I437-I439 VanDerWaalsContact CG2-CG1 3.48Å; I437-I439 PolarHBondContact O-N 2.96Å; I439-Q441 HydrophobicContact CG2-CG 4.09Å; I439-Q441 PolarHBondContact O-N 2.58Å
440L30.7Very low33.8Very low138 Ų138158.3 Ų158.372%0.72380%0.799SS**  trans-67.686.7163.6-70.3172.1000107.6F438 E442F438-L440 VanDerWaalsContact C-N 3.35Å; F438-L440 PolarHBondContact O-N 3.28Å; F438-L440 VanDerWaalsContact O-N 3.07Å; L440-E442 PolarHBondContact O-N 2.92Å
441Q31.6Very low33.2Very low169 Ų169158.2 Ų158.279%0.7980%0.799SS**  trans-79.4108.6155.6-90.5-177.5-25.600107.4I439 S443I439-Q441 HydrophobicContact CG2-CG 4.09Å; I439-Q441 PolarHBondContact O-N 2.58Å; Q441-S443 PolarHBondContact O-N 3.27Å
442E30.2Very low33.2Very low197 Ų197159.4 Ų159.492%0.92180%0.797SS**  trans-54114.1161.9-76.8172.2149.400109L440L440-E442 PolarHBondContact O-N 2.92Å
443S34.9Very low32.7Very low108 Ų108166.8 Ų166.876%0.75581%0.81SS**  trans-148.9116.1151.467.80000108.9Q441 K445Q441-S443 PolarHBondContact O-N 3.27Å; S443-K445 PolarHBondContact O-N 2.61Å
444D31.5Very low32.5Very low154 Ų154165.9 Ų165.982%0.82481%0.806SS**  trans-32.3125.6165.9-75.2-47.4000113.2
445K34.7Very low32.3Very low204 Ų204166.6 Ų166.689%0.88781%0.808SS**  -171.1115.1124.9-97.2149.8-168179.80110.5S443S443-K445 PolarHBondContact O-N 2.61Å
446Q30.1Very low32.3Very low188 Ų188167.7 Ų167.788%0.87981%0.811SS**  trans-42.2152.9165.1-73.6169.4-2400112.5
447S29.1Very low32.1Very low108 Ų108164 Ų16476%0.75581%0.809SS**  trans87.491.2165.775.40000116.6
448K32.6Very low32.6Very low189 Ų189166.2 Ų166.282%0.82282%0.821SS**  171.3138.2118.5-93.4162.5-178.4177.30111.8
449L32.9Very low32.7Very low148 Ų148165.1 Ų165.178%0.77582%0.823SS**  trans72.593.5155.1-58.9149.3000114.7
450R27.7Very low32.7Very low244 Ų244168.2 Ų168.292%0.92183%0.832SS**  49.76659.4-128.2-169.2-164.4-179.24.4112.3
451L31.2Very low32.9Very low154 Ų154169.9 Ų169.981%0.80684%0.841SS**  trans-174150.7153.5-102140.5000109.3
452N33.2Very low32.9Very low153 Ų153167.1 Ų167.182%0.81884%0.84SS**  trans88.354.5-176.6-51.2-15.6000115.3
453R30Very low33.2Very low246 Ų246164 Ų16493%0.92883%0.834SS**  trans-120.554.9160.2-152.2-179.7-166.4174.44.3109.2
454E34.3Very low32.9Very low177 Ų177165.1 Ų165.183%0.82783%0.832SS**  trans-163120.9174.6-102.9162.9-149.800105.7
455I38.2Very low32.8Very low155 Ų155164.5 Ų164.580%0.79583%0.828SS**SBendtrans127.5117.1179.3-65.7155.3000108
456F37.5Very low32.8Very low199 Ų199163.1 Ų163.187%0.87383%0.825SS**  trans86.570.8-163.8-59.3-73.2000115.1L458F456-L458 PolarHBondContact O-N 2.86Å
457G30.3Very low32.8Very low75 Ų75163.3 Ų163.377%0.77383%0.826SS**  trans-71.9111.4161.100000111.3
458L41Very low33.2Very low180 Ų180169.7 Ų169.794%0.94283%0.834SS**  trans-140.886.4146.4-78179.3000106.4F456F456-L458 PolarHBondContact O-N 2.86Å
459N32.8Very low33.3Very low155 Ų155165.8 Ų165.883%0.82983%0.828SS**  trans-98.1137.8174.2-112.5-15.7000109.3
460K32.8Very low33.3Very low191 Ų191164.6 Ų164.683%0.8383%0.832SS**  trans73.695.4161.6-62.9-179.2176.8-177.80117.8
461L35Very low33.8Very low173 Ų173160 Ų16091%0.90682%0.824SS**  trans-140105.3131.4-92.4165.8000108.1
462S30.5Very low34.3Very low111 Ų111160.3 Ų160.378%0.77684%0.836SS**  trans-77.6120.7165.452.70000108.7
463V36.1Very low34.3Very low132 Ų132160.7 Ų160.780%0.884%0.837SS**  trans-141.8123.7159.2-177.60000107.5
464N29.2Very low34.5Very low131 Ų131156.2 Ų156.270%0.70183%0.832SS**  trans-70158.5-178.6-73-18.1000112.9
465D30.2Very low34.6Very low141 Ų141155.1 Ų155.175%0.75483%0.832SS**  trans50.7115.1144-50.9-26.8000119.5
466E33.5Very low34.3Very low176 Ų176155.1 Ų155.182%0.82284%0.835SS**  178.1103.6120.1-98.1-179.7170.100111.2
467E30.3Very low34.1Very low192 Ų192152.3 Ų152.390%0.89783%0.832SS**  trans21.7107.4130.1-145.2165.2-162.800117.8
468W38.8Very low34.4Very low242 Ų242157.5 Ų157.592%0.91784%0.836SS**PPolyproline II helixtrans-99.4127.7167-79.881.3000110.5
469P33.8Very low33.9Very low107 Ų107155.9 Ų155.970%0.69583%0.829SS**PPolyproline II helixtrans-78.4139.6177.831.4-31.8000111.2L471P469-L471 PolarHBondContact O-N 3.43Å
470S32.8Very low34Very low122 Ų122155.9 Ų155.985%0.85383%0.829SS**PPolyproline II helixtrans-54.2125.2165.5-31.80000110.3
471L39.3Very low34.1Very low147 Ų147153 Ų15377%0.7783%0.829SS**PPolyproline II helixtrans-83.8148.3164.7-73.9172.8000109.6K278 P469K278-L471 PolarHBondContact NZ-O 3.43Å; P469-L471 PolarHBondContact O-N 3.43Å
472P40.1Very low34Very low162 Ų162151.2 Ų151.2100%1.05282%0.822SS**  trans-47.90-162.114-28.9000115K278K278-P472 PolarHBondContact NZ-O 3.32Å; K278-P472 PolarHBondContact NZ-OXT 3.34Å

Retrieved 472 of 472 residues in 1998.2 ms (Link to these results)