G4LWB4_SCHMA Loading...

TATA-box binding protein, putative

AlphaFold DB , UniProt , Accession G4LWB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 271 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M49.7Very low36.3Very low250 Ų250147.6 Ų147.6100%1.23282%0.817SS**  0106.40-72.6171.8175.200108.1
2N35Very low35.7Very low159 Ų159142.8 Ų142.885%0.8580%0.801SS**  trans-81.7168.1168.5-12825.4000108
3P40.7Very low35.7Very low91 Ų91143.5 Ų143.559%0.59180%0.8SS**  cis-142.3-162.4-43.632-9.3000112.2
4L36.7Very low35.4Very low160 Ų160137.6 Ų137.684%0.83879%0.787SS**  trans97.990.7154.8-99.584.9000119.1
5S40.1Very low35.3Very low111 Ų111134.8 Ų134.878%0.77678%0.779SS**  trans-58.9140.5154.8500000113.1
6Q34.9Very low35.3Very low171 Ų171135.2 Ų135.280%0.79978%0.777SS**  trans-56.9121.3-174.7-67.5165.9-000114.7
7Q33.6Very low35.3Very low192 Ų192134.1 Ų134.190%0.89777%0.767SS**  trans-97.1112.2149.9-82.7-177.1-14.100108.2S9Q7-S9 PolarHBondContact O-N 3.31Å; Q7-S9 VanDerWaalsContact O-N 3.13Å
8H34.7Very low35.1Very low164 Ų164130.1 Ų130.176%0.75976%0.76SS**  trans-75.399.7165.8-85.3-92.3000109.4V10H8-V10 PolarHBondContact O-N 3.37Å
9S29.3Very low34.9Very low99 Ų99131.9 Ų131.969%0.69277%0.766SS**  trans-64.1107.9168.4179.40000110.3Q7 A11Q7-S9 PolarHBondContact O-N 3.31Å; Q7-S9 VanDerWaalsContact O-N 3.13Å; S9-A11 PolarHBondContact O-N 3Å; S9-A11 VanDerWaalsContact O-N 3.1Å; S9-A11 PolarHBondContact OG-N 3.47Å
10V32.3Very low34.9Very low146 Ų146131.6 Ų131.689%0.88576%0.761SS**  trans-72.785.1150.1-90.70000106.8H8 S12H8-V10 PolarHBondContact O-N 3.37Å; V10-S12 PolarHBondContact O-N 3.2Å
11A32.6Very low34.7Very low81 Ų81131 Ų13167%0.66976%0.762SS**  trans-64.5101.417400000109.7S9 I13S9-A11 PolarHBondContact O-N 3Å; S9-A11 VanDerWaalsContact O-N 3.1Å; S9-A11 PolarHBondContact OG-N 3.47Å; A11-I13 PolarHBondContact O-N 2.87Å
12S29Very low34.1Very low89 Ų89126.2 Ų126.262%0.62274%0.74SS**  trans32.287.2141.1-157.50000117.8V10 G14V10-S12 PolarHBondContact O-N 3.2Å; S12-G14 PolarHBondContact OG-N 3.45Å
13I35.2Very low33.9Very low153 Ų153128.1 Ų128.179%0.78574%0.744SS**  trans-100.355.9134.7-54.4176.3000106.1A11A11-I13 PolarHBondContact O-N 2.87Å
14G31.6Very low33.6Very low61 Ų61127.5 Ų127.563%0.62975%0.754SS**  trans-106.2-1.1-178.700000113.9S12S12-G14 PolarHBondContact OG-N 3.45Å
15S33.8Very low33.3Very low95 Ų95127.6 Ų127.666%0.66476%0.755SS**SBendtrans-106.44.4-171.749.20000115.5
16L36.5Very low33Very low141 Ų141127.3 Ų127.374%0.73875%0.753SS**SBendtrans-106.27.4178.2-78.5166.3000115.1
17L35.1Very low32.8Very low116 Ų116124.4 Ų124.461%0.60775%0.752SS**SBendtrans-103.917170.7-74169.6000113.1
18G31.5Very low32.9Very low63 Ų63122.1 Ų122.165%0.64975%0.745SS**  trans-85-11.8-174.800000116.9
19N31.7Very low32.8Very low164 Ų164122.3 Ų122.388%0.87775%0.747SS**  trans-121.668-176.5-88.521.4000112.4
20L34.4Very low32.9Very low126 Ų126125.3 Ų125.366%0.6675%0.749SS**  trans-102.9112.3156.4-88.3155.1000107.4L22L20-L22 PolarHBondContact O-N 2.95Å; L20-L22 VanDerWaalsContact O-N 3.14Å
21P30.7Very low33Very low119 Ų119127.5 Ų127.577%0.77375%0.747SS**  trans-69.2112.8175.126.8-29000108.6
22L36.9Very low32.9Very low150 Ų150130.1 Ų130.179%0.78576%0.755SS**  trans-94.995.8161.1-74.7170.4000106.8L20L20-L22 PolarHBondContact O-N 2.95Å; L20-L22 VanDerWaalsContact O-N 3.14Å
23Q30.5Very low33.2Very low199 Ų199131 Ų13193%0.9376%0.759SS**  trans-73.6132.8164.3-90.4169.6-36.100109.4
24G33.7Very low33.3Very low78 Ų78132 Ų13280%0.80476%0.764SS**  trans167.489.7173.400000111.6
25D30.3Very low33.9Very low161 Ų161136.5 Ų136.586%0.86177%0.773SS**  trans-48.7149.3178.7-95.5-47.9000116.6
26S34.6Very low34.1Very low105 Ų105138 Ų13873%0.73478%0.78SS**  145.5100.3125.2-57.70000114.1
27S31.8Very low33.9Very low110 Ų110135.3 Ų135.377%0.76979%0.786SS**  trans58.5135.1130.959.10000124.8
28L34.7Very low33.9Very low145 Ų145133.7 Ų133.776%0.75980%0.797SS**  trans94.999.9154-96.974.1000121.6
29Q33.1Very low33.9Very low168 Ų168136.5 Ų136.579%0.78581%0.807SS**  44.4140.5117.7-71.8177.2-0.200119.5
30Q31.1Very low34.1Very low161 Ų161136 Ų13675%0.75281%0.81SS**  cis-177.3157.8-1.6-164178.124.300107.2
31K33.6Very low34.1Very low193 Ų193137.9 Ų137.984%0.83982%0.82SS**  trans104.8135.1158.8-67.4-174.4174.4176.90120
32T30Very low34Very low136 Ų136139.6 Ų139.683%0.83482%0.823SS**  trans-128.9-171.4-158.7-25.50000109.1
33P36.8Very low33.8Very low108 Ų108140.5 Ų140.570%0.70183%0.828SS**  -119.8-170.6-10943.1-24.5000114.5
34L36.7Very low33.9Very low172 Ų172138.6 Ų138.690%0.90182%0.824SS**  trans-158.4161.9154.2-97137.7000113.2
35I44.9Very low34.1Very low157 Ų157144.1 Ų144.181%0.80583%0.828SS**  trans-103.5-171.1-145.7-11176.2000114.1
36P36.5Very low34.3Very low127 Ų127140.6 Ų140.683%0.82582%0.821SS**  trans-126.9-172-139.535.9-9.7000115.5
37G33.1Very low34.7Very low83 Ų83140.9 Ų140.986%0.85682%0.823SS**  trans162.6138.9159.800000116.6
38G35.3Very low34.9Very low82 Ų82142.8 Ų142.885%0.84583%0.825SS**  trans143.4104.4159.200000116.6
39S32.3Very low35Very low123 Ų123143.2 Ų143.286%0.8683%0.828SS**  trans-114.4143.4172.1-50.90000110.3
40V35.9Very low35.3Very low153 Ų153139.8 Ų139.893%0.92783%0.828SS**  trans-144.7145.6165.8-150.40000111.8
41N32.8Very low35.7Very low165 Ų165136.6 Ų136.688%0.88283%0.829SS**  trans-85.3167.6-161.9-95.1-23.4000117.4
42L30.2Very low36.1Very low156 Ų156132.6 Ų132.682%0.81783%0.826SS**  trans-77.1159.1178.7-71.5139.6000115.3
43N31.5Very low36.9Very low168 Ų168133.9 Ų133.990%0.89883%0.826SS**  trans-133137.9159.4-119.330.1000111
44L33.1Very low37.2Very low160 Ų160133.9 Ų133.984%0.83883%0.825SS**  trans-120.8144.9178.1-92.9144.8000109.1
45H36.7Very low37.2Very low194 Ų194130.7 Ų130.790%0.89882%0.818SS**  trans-147140.5160.3-126.2-102.7000110.1
46A35.9Very low37Very low87 Ų87134.9 Ų134.972%0.71982%0.823SS**  trans-128.2155.9-169.400000111.6
47S42.2Very low36.9Very low110 Ų110135.1 Ų135.177%0.76982%0.823SS**  trans165.6146.9161.543.40000108.2
48D35.5Very low37.1Very low151 Ų151137.3 Ų137.381%0.80782%0.822SS**  cis-173.5170.6-11.8-112-31.2000107
49N38.4Very low37.1Very low154 Ų154138.7 Ų138.782%0.82482%0.817SS**  trans11292.3161.1-69.1-17.6000120.9
50A39.1Very low37.2Very low96 Ų96139.4 Ų139.479%0.79382%0.817SS**  54.8121110.200000123.3
51A38.8Very low37.3Very low94 Ų94137.1 Ų137.178%0.77781%0.805SS**  132.7120.2120.200000118.4
52S42.2Very low37.9Very low109 Ų109137.8 Ų137.876%0.76281%0.808SS**  trans6594.2143.158.80000124.8
53I47.9Very low38.3Very low163 Ų163136.2 Ų136.284%0.83680%0.804SS**  29.2148.4108.1-40.4164.8000119.3
54P41.8Very low38.7Very low107 Ų107136.7 Ų136.770%0.69581%0.806SS**  -143.2-168.5-52.843.7-23.3000114.7
55S37.1Very low39.3Very low105 Ų105134.1 Ų134.173%0.73480%0.801SS**  trans91103.9150.177.90000119.9
56R40.2Very low40.1Very low245 Ų245130.6 Ų130.693%0.92579%0.794SS**  166.4116.7118.2-92.5175.3120.4-169.60.2109.3
57T34.5Very low40.3Very low132 Ų132132 Ų13281%0.8180%0.796SS**  trans-69.4158.1162.241.10000109.9
58P36.9Very low40.3Very low129 Ų129134.8 Ų134.884%0.83880%0.801SS**  -139.6160.497.120.71000115.6
59C37.3Very low40.7Very low112 Ų112134.6 Ų134.676%0.75780%0.795SS**  trans-60.6151.2-173.4-54.60000116.8
60T34.1Very low40.6Very low138 Ų138134.2 Ų134.285%0.84779%0.793SS**  trans-158.7117.4136.4-13.20000110.7
61P37.7Very low41Very low104 Ų104139.6 Ų139.668%0.67579%0.793SS**  trans-91128.8171.932.2-26.9000110.8T63P61-T63 PolarHBondContact O-N 3.02Å; P61-T63 VanDerWaalsContact O-N 3.15Å
62L45.1Very low41.4Very low180 Ų180143.1 Ų143.194%0.94280%0.799SS**  trans-79.493.7171.5-71.8171.3000109.9
63T38.1Very low42.3Very low122 Ų122141.9 Ų141.975%0.74880%0.803SS**  trans-66.7119163.729.70000110.9P61 S65P61-T63 PolarHBondContact O-N 3.02Å; P61-T63 VanDerWaalsContact O-N 3.15Å; T63-S65 PolarHBondContact O-N 3.15Å
64L41Very low43.8Very low178 Ų178137.4 Ų137.493%0.93279%0.791SS**  trans-80.289.4159.7-106.7138.6000107.8T66L64-T66 PolarHBondContact O-N 2.87Å
65S45.6Very low46Very low106 Ų106136.4 Ų136.474%0.74178%0.779SS**  trans-71.4108171.149.60000110.1T63T63-S65 PolarHBondContact O-N 3.15Å
66T52.5Low48.7Very low121 Ų121132.1 Ų132.174%0.74275%0.748SS**  trans-63.8136.4156.4-28.60000107.6L64 L68L64-T66 PolarHBondContact O-N 2.87Å; T66-L68 PolarHBondContact O-N 3.45Å; T66-L68 VanDerWaalsContact O-N 3.14Å
67P39.7Very low51.3Low116 Ų116125.2 Ų125.275%0.75373%0.733SS**  trans-58123177.9-19.430.2000109.9Q69P67-Q69 PolarHBondContact O-N 3.28Å
68L42.1Very low54.3Low169 Ų169119.3 Ų119.389%0.88570%0.697SS**  trans-62.790.2164.5-72.7173000107.8T66 D70T66-L68 PolarHBondContact O-N 3.45Å; T66-L68 VanDerWaalsContact O-N 3.14Å; L68-D70 VanDerWaalsContact C-N 3.27Å; L68-D70 PolarHBondContact O-N 3.32Å
69Q44.4Very low57.1Low147 Ų147119.4 Ų119.469%0.68769%0.686SS**  trans-94.477155.6-132.3167.517.100106.5P67 R71 R180P67-Q69 PolarHBondContact O-N 3.28Å; Q69-R71 PolarHBondContact O-N 3.29Å; Q69-R180 PolarHBondContact O-NH1 3.22Å
70D36.2Very low60Low146 Ų146115.2 Ų115.278%0.78166%0.656SS**  trans-83.491.6161.2-142.38.8000105.8L68L68-D70 VanDerWaalsContact C-N 3.27Å; L68-D70 PolarHBondContact O-N 3.32Å
71R47.3Very low63Low208 Ų208112.2 Ų112.279%0.78563%0.633SS**  trans-126.1113.4165.3-80.7-162.3161.6-170.3-5.4107.1Q69 G73Q69-R71 PolarHBondContact O-N 3.29Å; R71-G73 PolarHBondContact O-N 3.28Å
72D47.7Very low65.9Low168 Ų168109.1 Ų109.190%0.89861%0.611SS**THydrogen-bonded Turntrans-16.5119170.9-84.5-45.2000115.2A74D72-A74 PolarHBondContact O-N 2.95Å
73G61.7Low68.5Low83 Ų83100.6 Ų100.686%0.85657%0.566SS**THydrogen-bonded Turntrans70.9-2.2159.200000117.9R71 I75R71-G73 PolarHBondContact O-N 3.28Å; G73-I75 PolarHBondContact O-N 3.35Å
74A79.3Confident71.3Confident70 Ų7095.2 Ų95.258%0.57953%0.533SS*.PPolyproline II helixtrans-67.9131.8-179.900000111.7D72 P76D72-A74 PolarHBondContact O-N 2.95Å; A74-P76 WeakPolarHBondContact O-CD 3.18Å
75I87.3Confident74.1Confident85 Ų8586.8 Ų86.844%0.43649%0.489SS..PPolyproline II helixtrans-62.7124.5173.3-61.2179.1000108.2G73 F240 Y244G73-I75 PolarHBondContact O-N 3.35Å; I75-F240 HydrophobicContact CG2-CD1 4.19Å; I75-F240 HydrophobicContact CG2-CE1 3.66Å; I75-Y244 HydrophobicContact CB-CD1 4.49Å; I75-Y244 HydrophobicContact CB-CE1 4.29Å; I75-Y244 HydrophobicContact CD1-CD1 4.26Å; I75-Y244 HydrophobicContact CD1-CE1 4.45Å; I75-Y244 HydrophobicContact CG1-CD1 4.02Å; I75-Y244 HydrophobicContact CG1-CE1 3.78Å; I75-Y244 HydrophobicContact CG2-CD1 3.9Å; I75-Y244 HydrophobicContact CG2-CD2 4.5Å; I75-Y244 HydrophobicContact CG2-CE1 4.11Å; I75-Y244 HydrophobicContact CG2-CG 4.1Å
76P93.1Very high76.6Confident15 Ų1583.3 Ų83.310%0.09746%0.463CS..PPolyproline II helixtrans-57.5139.9177.2-27.537.5000111.8A74 C177 F240 Y244A74-P76 WeakPolarHBondContact O-CD 3.18Å; P76-C177 VanDerWaalsContact CB-SG 3.51Å; P76-F240 HydrophobicContact CB-CZ 4.22Å; P76-F240 WeakPolarHBondContact O-CE1 3.46Å; P76-Y244 HydrophobicContact CG-CE2 4.25Å
77V95.2Very high78.8Confident101 Ų10177.8 Ų77.861%0.61243%0.429SS*.PPolyproline II helixtrans-97.6122.7-178.5-177.60000109.9Y237V77-Y237 HydrophobicContact CG1-CE1 4.24Å
78P97.2Very high81.6Confident7 Ų775.9 Ų75.95%0.04541%0.408CS..PPolyproline II helixtrans-58138.4173.9-24.233.3000112.5S176 C177 L227 I236 Y237 F240P78-S176 WeakPolarHBondContact CA-O 3.33Å; P78-C177 HydrophobicContact CB-CB 4.18Å; P78-C177 HydrophobicContact CG-CB 4.14Å; P78-L227 HydrophobicContact CB-CD1 4.39Å; P78-I236 HydrophobicContact CB-CG2 3.8Å; P78-I236 HydrophobicContact CG-CG2 4.32Å; P78-Y237 HydrophobicContact CB-CD1 4.44Å; P78-Y237 HydrophobicContact CB-CE1 4.5Å; P78-Y237 HydrophobicContact CG-CD1 4.35Å; P78-F240 HydrophobicContact CG-CB 3.45Å; P78-F240 VanDerWaalsContact CG-CB 3.45Å; P78-F240 HydrophobicContact CG-CD1 3.87Å; P78-F240 HydrophobicContact CG-CD2 3.71Å; P78-F240 HydrophobicContact CG-CE2 4.41Å; P78-F240 HydrophobicContact CG-CG 3.38Å
79Q97.3Very high84.3Confident131 Ų13167.9 Ų67.961%0.61237%0.365SS*.EExtended strand (participates in β ladder)trans-106.1135.3176.2-64.8-175.7-16.200110.5Q81 G175 S176Q79-Q81 PolarHBondContact O-N 3.07Å; Q79-G175 CarbonylContact O-C 3.56Å; Q79-G175 VanDerWaalsContact O-CA 3.31Å; Q79-G175 WeakPolarHBondContact O-CA 3.28Å; Q79-S176 PolarHBondContact N-O 3.31Å; Q79-S176 PolarHBondContact O-N 2.94Å
80L97.5Very high86.8Confident24 Ų2462 Ų6213%0.12635%0.345CS..EExtended strand (participates in β ladder)trans-67128.9172.9-72176.3000110.8I83 K140 E142 M173 R233 I236L80-I83 HydrophobicContact CD1-CD1 4.19Å; L80-K140 WeakPolarHBondContact CB-O 3.47Å; L80-E142 WeakPolarHBondContact CD1-OE2 3.48Å; L80-M173 HydrophobicContact CD2-CB 4.18Å; L80-M173 HydrophobicContact CD2-SD 4.37Å; L80-R233 HydrophobicContact CD1-CG 4.26Å; L80-I236 HydrophobicContact CD2-CD1 3.49Å; L80-I236 VanDerWaalsContact CD2-CD1 3.49Å
81Q97.6Very high89.7Confident76 Ų7656.3 Ų56.336%0.35532%0.316SS..EExtended strand (participates in β ladder)trans-109.9-33.3-179.9-61.9-55.8-32.900112.4Q79 V174 S176Q79-Q81 PolarHBondContact O-N 3.07Å; Q81-V174 PolarHBondContact N-O 3.5Å; Q81-S176 WeakPolarHBondContact CG-OG 3.5Å; Q81-S176 PolarHBondContact NE2-OG 3.32Å
82N98.2Very high92.1Very high39 Ų3955.4 Ų55.421%0.20932%0.318CS..EExtended strand (participates in β ladder)trans-153.8145179.8-174.232.4000111.6T137 G138 A139 V174N82-T137 PolarHBondContact ND2-OG1 2.97Å; N82-G138 WeakPolarHBondContact OD1-CA 3.43Å; N82-G138 PolarHBondContact OD1-N 3.45Å; N82-A139 CarbonylContact C-O 3.59Å; N82-A139 VanDerWaalsContact CA-O 3.32Å; N82-A139 WeakPolarHBondContact CA-O 3.23Å; N82-V174 HydrophobicContact CB-CB 4.12Å; N82-V174 HydrophobicContact CB-CG2 4.28Å; N82-V174 PolarHBondContact N-O 2.86Å; N82-V174 PolarHBondContact O-N 2.96Å
83I98.4Very high94.5Very high0 Ų047.9 Ų47.90%028%0.277CS..EExtended strand (participates in β ladder)trans-128.4131.9170.5-58-172000108.7L80 A139 E142 A145 I170 M173L80-I83 HydrophobicContact CD1-CD1 4.19Å; I83-A139 PolarHBondContact N-O 2.83Å; I83-E142 HydrophobicContact CD1-CB 4.45Å; I83-E142 HydrophobicContact CD1-CG 3.88Å; I83-E142 VanDerWaalsContact CD1-N 3.35Å; I83-A145 HydrophobicContact CB-CB 4.31Å; I83-A145 HydrophobicContact CG2-CB 3.96Å; I83-I170 HydrophobicContact CG2-CD1 3.73Å; I83-I170 HydrophobicContact CG2-CG2 3.97Å; I83-M173 HydrophobicContact CD1-CE 4.24Å; I83-M173 HydrophobicContact CD1-CG 4.4Å; I83-M173 HydrophobicContact CG1-CG 4.19Å; I83-M173 HydrophobicContact CG2-CG 4.4Å
84V98.5Very high96.2Very high10 Ų1048.4 Ų48.46%0.06126%0.261CS..EExtended strand (participates in β ladder)trans-107.1124.4171.7-174.90000108.4V135 C136 Q171 N172V84-V135 HydrophobicContact CG1-CG1 3.82Å; V84-C136 WeakPolarHBondContact CA-O 3.47Å; V84-Q171 HydrophobicContact CG1-CB 4.44Å; V84-Q171 PolarHBondContact O-N 2.73Å; V84-N172 HydrophobicContact CB-CB 4.24Å; V84-N172 HydrophobicContact CG2-CB 4.47Å; V84-N172 PolarHBondContact N-O 3.13Å; V84-N172 PolarHBondContact O-N 2.83Å
85C98.7Very high97Very high0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-129.4159.5176.565.80000111.5V135 C136 F168 K169 I170C85-V135 CarbonylContact O-C 3.37Å; C85-V135 WeakPolarHBondContact O-CA 3.16Å; C85-C136 PolarHBondContact N-O 3.48Å; C85-C136 PolarHBondContact O-N 2.98Å; C85-F168 HydrophobicContact CB-CE2 3.81Å; C85-F168 HydrophobicContact CB-CZ 4.02Å; C85-K169 CarbonylContact C-O 3.5Å; C85-K169 VanDerWaalsContact CA-O 3.22Å; C85-K169 WeakPolarHBondContact CA-O 3.06Å; C85-K169 WeakPolarHBondContact CB-O 3.28Å; C85-I170 HydrophobicContact CB-CD1 3.7Å
86T98.7Very high97.5Very high34 Ų3448 Ų4821%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-119.5153.4172.553.30000110.4M134 V135 F168 K169 Q171T86-M134 CarbonylContact C-O 3.54Å; T86-M134 VanDerWaalsContact CA-O 3.24Å; T86-M134 WeakPolarHBondContact CA-O 3.48Å; T86-V135 HydrophobicContact CG2-CG2 3.97Å; T86-F168 WeakPolarHBondContact O-CA 3.39Å; T86-K169 PolarHBondContact N-O 2.85Å; T86-K169 PolarHBondContact O-N 3.23Å; T86-Q171 HydrophobicContact CG2-CG 3.56Å; T86-Q171 PolarHBondContact OG1-NE2 3.38Å
87V98.7Very high97.6Very high5 Ų550.7 Ų50.73%0.0326%0.257CS..EExtended strand (participates in β ladder)trans-145.6147.3169.961.50000108.6M134 A149 F165 K166V87-M134 HydrophobicContact CG1-CB 3.84Å; V87-M134 HydrophobicContact CG1-CE 3.15Å; V87-M134 HydrophobicContact CG1-CG 4.24Å; V87-M134 PolarHBondContact N-O 3.38Å; V87-M134 PolarHBondContact O-N 2.87Å; V87-A149 HydrophobicContact CG1-CB 4.31Å; V87-F165 HydrophobicContact CB-CE2 4.35Å; V87-F165 HydrophobicContact CG2-CD2 3.65Å; V87-F165 HydrophobicContact CG2-CE2 3.72Å; V87-F165 HydrophobicContact CG2-CG 4.09Å; V87-F165 HydrophobicContact CG2-CZ 4.24Å; V87-K166 WeakPolarHBondContact CG2-O 3.23Å
88Y98.6Very high97.7Very high76 Ų7645.9 Ų45.930%0.29823%0.228SC..EExtended strand (participates in β ladder)trans-99.6124.8172.3-179-134.5000110.2G90 S131 K133 K166Y88-G90 VanDerWaalsContact C-N 3.33Å; Y88-S131 WeakPolarHBondContact CE2-O 3.2Å; Y88-K133 HydrophobicContact CD2-CG 4.36Å; Y88-K166 HydrophobicContact CD1-CB 4.37Å; Y88-K166 PolarHBondContact N-O 3.23Å; Y88-K166 WeakPolarHBondContact O-CB 3.44Å; Y88-K166 PolarHBondContact O-N 2.91Å
89L98.4Very high97.7Very high0 Ų046.7 Ų46.70%024%0.235CC..  trans-82.2-10.1-179.1-60.9178000113.2C91 L93 I128 G132 M134 A153 I156 A163 H164L89-C91 VanDerWaalsContact C-N 3.27Å; L89-C91 PolarHBondContact O-N 3.2Å; L89-L93 HydrophobicContact CD1-CD1 3.76Å; L89-I128 HydrophobicContact CD1-CG2 4.36Å; L89-G132 WeakPolarHBondContact CB-O 3.31Å; L89-G132 WeakPolarHBondContact CG-O 3.3Å; L89-G132 PolarHBondContact N-O 2.99Å; L89-M134 HydrophobicContact CD1-CB 4.32Å; L89-M134 HydrophobicContact CD2-CE 4.08Å; L89-M134 HydrophobicContact CG-CB 4.41Å; L89-A153 HydrophobicContact CD2-CB 3.71Å; L89-I156 HydrophobicContact CD1-CG1 4.28Å; L89-I156 HydrophobicContact CD1-CG2 4.43Å; L89-A163 HydrophobicContact CB-CB 4.17Å; L89-A163 HydrophobicContact CD2-CB 4.39Å; L89-A163 CarbonylContact O-C 3.55Å; L89-A163 WeakPolarHBondContact O-CA 3.25Å; L89-H164 VanDerWaalsContact CA-O 3.28Å; L89-H164 WeakPolarHBondContact CA-O 3.47Å; L89-H164 PolarHBondContact O-N 3.11Å
90G97.2Very high97.6Very high25 Ų2547 Ų4726%0.25824%0.24SC..SBendtrans76.93.3172.400000116Y88Y88-G90 VanDerWaalsContact C-N 3.33Å
91C97.1Very high97.4Very high26 Ų2648.8 Ų48.818%0.17626%0.255CS..SBendtrans-145.2154.4179.562.50000111.4L89 G132L89-C91 VanDerWaalsContact C-N 3.27Å; L89-C91 PolarHBondContact O-N 3.2Å; C91-G132 WeakPolarHBondContact O-CA 3.46Å
92K97.7Very high97.3Very high188 Ų18845.9 Ų45.982%0.81724%0.244SC*.  trans-73.2142171-71.7-172.5178.8179.20109.8S130K92-S130 WeakPolarHBondContact CA-O 3.39Å
93L97.7Very high96.9Very high10 Ų1055.7 Ų55.75%0.05228%0.278CS..  trans-120.3132.2-173.3-63.2177.1000111.7L89 L95 I98 I128 S130 I156 F161L89-L93 HydrophobicContact CD1-CD1 3.76Å; L93-L95 HydrophobicContact CB-CD2 4.22Å; L93-L95 PolarHBondContact O-N 3.49Å; L93-I98 HydrophobicContact CB-CD1 3.88Å; L93-I98 HydrophobicContact CD1-CD1 4.14Å; L93-I98 HydrophobicContact CD2-CD1 4.32Å; L93-I98 HydrophobicContact CG-CD1 4.34Å; L93-I128 HydrophobicContact CD1-CG2 3.45Å; L93-I128 VanDerWaalsContact CD1-CG2 3.45Å; L93-S130 PolarHBondContact N-O 2.89Å; L93-I156 HydrophobicContact CD1-CG2 4.42Å; L93-I156 HydrophobicContact CD2-CG2 3.82Å; L93-F161 HydrophobicContact CD2-CB 3.87Å; L93-F161 HydrophobicContact CD2-CD1 3.58Å; L93-F161 HydrophobicContact CD2-CD2 4.37Å; L93-F161 HydrophobicContact CD2-CE1 4.21Å; L93-F161 HydrophobicContact CD2-CG 3.67Å
94N97.2Very high96.7Very high94 Ų9460.9 Ų60.950%0.50331%0.305SS..  trans-82.597.8167.9-173.6-29.5000109.2K96 N97 I98 F161N94-K96 VanDerWaalsContact C-N 3.27Å; N94-K96 PolarHBondContact O-N 3.18Å; N94-K96 WeakPolarHBondContact OD1-CB 3.42Å; N94-K96 PolarHBondContact OD1-N 3.3Å; N94-K96 VanDerWaalsContact OD1-N 3.14Å; N94-N97 HydrophobicContact CB-CB 4.07Å; N94-N97 PolarHBondContact O-N 3.13Å; N94-N97 PolarHBondContact OD1-N 3.46Å; N94-N97 VanDerWaalsContact OD1-N 3.17Å; N94-I98 PolarHBondContact O-N 2.9Å; N94-I98 VanDerWaalsContact O-N 3.12Å; N94-F161 HydrophobicContact CB-CE1 4.33Å; N94-F161 HydrophobicContact CB-CZ 4.41Å
95L97.6Very high96.6Very high8 Ų861.1 Ų61.14%0.04231%0.309CS..Hα-helixtrans-60.1-34.8-177-62.4-166.8000113.3L93 I98 A99 Y107 V115 I128L93-L95 HydrophobicContact CB-CD2 4.22Å; L93-L95 PolarHBondContact O-N 3.49Å; L95-I98 HydrophobicContact CD2-CD1 4.41Å; L95-I98 PolarHBondContact O-N 3.14Å; L95-A99 WeakPolarHBondContact O-CB 3.41Å; L95-A99 PolarHBondContact O-N 2.86Å; L95-Y107 HydrophobicContact CB-CD1 4.35Å; L95-Y107 HydrophobicContact CB-CD2 4.25Å; L95-Y107 HydrophobicContact CB-CE1 3.94Å; L95-Y107 HydrophobicContact CB-CE2 3.85Å; L95-Y107 HydrophobicContact CB-CG 4.49Å; L95-Y107 HydrophobicContact CD1-CD2 4.39Å; L95-Y107 HydrophobicContact CD1-CE2 3.66Å; L95-Y107 HydrophobicContact CG-CE2 4.43Å; L95-V115 HydrophobicContact CB-CG2 3.7Å; L95-V115 HydrophobicContact CD1-CG2 4.48Å; L95-V115 HydrophobicContact CD2-CG2 3.85Å; L95-V115 HydrophobicContact CG-CG2 4.19Å; L95-V115 WeakPolarHBondContact O-CG2 2.89Å; L95-I128 WeakPolarHBondContact CD2-O 3.38Å
96K96.7Very high96.5Very high140 Ų14066.6 Ų66.661%0.60933%0.334SS*.Hα-helixtrans-65.6-44.2177.6-172.5179.9-179.9-177.10110.8N94 A99 L100 Y107N94-K96 VanDerWaalsContact C-N 3.27Å; N94-K96 PolarHBondContact O-N 3.18Å; N94-K96 WeakPolarHBondContact OD1-CB 3.42Å; N94-K96 PolarHBondContact OD1-N 3.3Å; N94-K96 VanDerWaalsContact OD1-N 3.14Å; K96-A99 PolarHBondContact O-N 3.48Å; K96-L100 HydrophobicContact CG-CD1 4.12Å; K96-L100 VanDerWaalsContact O-CG 3.3Å; K96-L100 WeakPolarHBondContact O-CG 3.42Å; K96-L100 PolarHBondContact O-N 3.45Å; K96-Y107 HydrophobicContact CB-CE1 4.44Å
97N96.3Very high96.4Very high71 Ų7168.8 Ų68.838%0.3834%0.339SS..Hα-helixtrans-62.9-43.7177.1-17310.1000111.6N94 A99 L100 S101 F161N94-N97 HydrophobicContact CB-CB 4.07Å; N94-N97 PolarHBondContact O-N 3.13Å; N94-N97 PolarHBondContact OD1-N 3.46Å; N94-N97 VanDerWaalsContact OD1-N 3.17Å; N97-A99 PolarHBondContact O-N 3.4Å; N97-L100 PolarHBondContact O-N 3.24Å; N97-S101 WeakPolarHBondContact O-CB 3.4Å; N97-S101 PolarHBondContact O-N 3.45Å; N97-S101 PolarHBondContact O-OG 3.46Å; N97-S101 PolarHBondContact OD1-OG 3.45Å; N97-F161 HydrophobicContact CB-CZ 4.34Å
98I97.3Very high96.3Very high0 Ų072.7 Ų72.70%036%0.36CS..Hα-helixtrans-59.3-47.5176.6-66167.4000110.9L93 N94 L95 L100 S101 A102 V115 M117 I156 L159 F161L93-I98 HydrophobicContact CB-CD1 3.88Å; L93-I98 HydrophobicContact CD1-CD1 4.14Å; L93-I98 HydrophobicContact CD2-CD1 4.32Å; L93-I98 HydrophobicContact CG-CD1 4.34Å; N94-I98 PolarHBondContact O-N 2.9Å; N94-I98 VanDerWaalsContact O-N 3.12Å; L95-I98 HydrophobicContact CD2-CD1 4.41Å; L95-I98 PolarHBondContact O-N 3.14Å; I98-L100 PolarHBondContact O-N 3.14Å; I98-S101 PolarHBondContact O-N 2.98Å; I98-A102 VanDerWaalsContact O-CB 3.3Å; I98-A102 WeakPolarHBondContact O-CB 3.37Å; I98-A102 PolarHBondContact O-N 2.83Å; I98-V115 HydrophobicContact CB-CG2 4.46Å; I98-V115 HydrophobicContact CG2-CG1 4.1Å; I98-V115 HydrophobicContact CG2-CG2 4.4Å; I98-M117 HydrophobicContact CG2-CE 3.82Å; I98-I156 HydrophobicContact CD1-CD1 3.94Å; I98-I156 HydrophobicContact CG1-CD1 4.24Å; I98-I156 HydrophobicContact CG2-CD1 3.9Å; I98-L159 HydrophobicContact CB-CD1 4.39Å; I98-L159 HydrophobicContact CG1-CD1 4.29Å; I98-L159 HydrophobicContact CG2-CD1 3.99Å; I98-F161 HydrophobicContact CD1-CE2 4.06Å; I98-F161 HydrophobicContact CD1-CZ 4.22Å; I98-F161 HydrophobicContact CG1-CD2 4.25Å; I98-F161 HydrophobicContact CG1-CE2 3.43Å; I98-F161 VanDerWaalsContact CG1-CE2 3.43Å; I98-F161 HydrophobicContact CG1-CZ 3.75Å
99A96.2Very high96.2Very high24 Ų2472.8 Ų72.820%0.19837%0.37CS..Hα-helixtrans-65.1-37.5-178.100000113.1L95 K96 N97 Y107L95-A99 WeakPolarHBondContact O-CB 3.41Å; L95-A99 PolarHBondContact O-N 2.86Å; K96-A99 PolarHBondContact O-N 3.48Å; N97-A99 PolarHBondContact O-N 3.4Å; A99-Y107 VanDerWaalsContact CB-CB 3.47Å; A99-Y107 HydrophobicContact CB-CD1 4.45Å; A99-Y107 HydrophobicContact CB-CG 4.35Å
100L95.2Very high96.1Very high136 Ų13682.8 Ų82.871%0.71241%0.413SS*.Hα-helixtrans-69.9-34.2176.5-70.3170.8000112.4K96 N97 I98K96-L100 HydrophobicContact CG-CD1 4.12Å; K96-L100 VanDerWaalsContact O-CG 3.3Å; K96-L100 WeakPolarHBondContact O-CG 3.42Å; K96-L100 PolarHBondContact O-N 3.45Å; N97-L100 PolarHBondContact O-N 3.24Å; I98-L100 PolarHBondContact O-N 3.14Å
101S94.6Very high96Very high63 Ų6390.8 Ų90.844%0.44144%0.436SS..Hα-helixtrans-88.1-29-174.1-57.60000113.6N97 I98N97-S101 WeakPolarHBondContact O-CB 3.4Å; N97-S101 PolarHBondContact O-N 3.45Å; N97-S101 PolarHBondContact O-OG 3.46Å; N97-S101 PolarHBondContact OD1-OG 3.45Å; I98-S101 PolarHBondContact O-N 2.98Å
102A94Very high96Very high15 Ų1593.5 Ų93.512%0.12445%0.445CS..  trans-99.3118.5-174.700000112.4I98 N104 A105 M117 L159I98-A102 VanDerWaalsContact O-CB 3.3Å; I98-A102 WeakPolarHBondContact O-CB 3.37Å; I98-A102 PolarHBondContact O-N 2.83Å; A102-N104 VanDerWaalsContact C-N 3.28Å; A102-N104 PolarHBondContact O-N 2.8Å; A102-N104 VanDerWaalsContact O-N 3.16Å; A102-A105 HydrophobicContact CB-CB 3.68Å; A102-A105 WeakPolarHBondContact O-CB 3.18Å; A102-A105 PolarHBondContact O-N 3.34Å; A102-M117 HydrophobicContact CB-CE 3.92Å; A102-L159 HydrophobicContact CB-CD1 4.34Å
103R90.2Very high95.9Very high244 Ų24487.7 Ų87.792%0.92143%0.431SS*.THydrogen-bonded Turntrans-54.8-35.7-178.3-68.3-171.9-70.9164.5-4.5115.3
104N93.7Very high95.9Very high109 Ų10987.3 Ų87.358%0.58343%0.43SS*.THydrogen-bonded Turntrans-109.239.7-176-59.5-47.7000111.3A102 M117 R118A102-N104 VanDerWaalsContact C-N 3.28Å; A102-N104 PolarHBondContact O-N 2.8Å; A102-N104 VanDerWaalsContact O-N 3.16Å; N104-M117 WeakPolarHBondContact O-CA 3.41Å; N104-R118 WeakPolarHBondContact CB-O 3.17Å; N104-R118 PolarHBondContact O-N 2.98Å
105A96.5Very high96Very high16 Ų1682.8 Ų82.813%0.13241%0.406CS..EExtended strand (participates in β ladder)trans-124.5130.717900000110.8A102 V115 I116 M117A102-A105 HydrophobicContact CB-CB 3.68Å; A102-A105 WeakPolarHBondContact O-CB 3.18Å; A102-A105 PolarHBondContact O-N 3.34Å; A105-V115 HydrophobicContact CB-CG1 3.76Å; A105-I116 CarbonylContact C-O 3.37Å; A105-I116 VanDerWaalsContact CA-O 3.32Å; A105-I116 WeakPolarHBondContact CA-O 3.12Å; A105-M117 HydrophobicContact CB-CE 4.24Å; A105-M117 HydrophobicContact CB-CG 4.5Å
106E96.9Very high96Very high115 Ų11583.5 Ų83.554%0.53741%0.409SS..EExtended strand (participates in β ladder)trans-115.2136.6176.8-64.9166.6-140.300109.2V115 I116E106-V115 WeakPolarHBondContact O-CA 3.34Å; E106-I116 HydrophobicContact CB-CB 4.42Å; E106-I116 PolarHBondContact N-O 3Å; E106-I116 PolarHBondContact O-N 3.26Å
107Y97.9Very high96.1Very high79 Ų7977 Ų7731%0.3138%0.381SS..  trans-143.3119.3176.4-179.4-126.5000111.2L95 K96 A99 P109 V115L95-Y107 HydrophobicContact CB-CD1 4.35Å; L95-Y107 HydrophobicContact CB-CD2 4.25Å; L95-Y107 HydrophobicContact CB-CE1 3.94Å; L95-Y107 HydrophobicContact CB-CE2 3.85Å; L95-Y107 HydrophobicContact CB-CG 4.49Å; L95-Y107 HydrophobicContact CD1-CD2 4.39Å; L95-Y107 HydrophobicContact CD1-CE2 3.66Å; L95-Y107 HydrophobicContact CG-CE2 4.43Å; K96-Y107 HydrophobicContact CB-CE1 4.44Å; A99-Y107 VanDerWaalsContact CB-CB 3.47Å; A99-Y107 HydrophobicContact CB-CD1 4.45Å; A99-Y107 HydrophobicContact CB-CG 4.35Å; Y107-P109 HydrophobicContact CE1-CB 4.41Å; Y107-P109 HydrophobicContact CE1-CG 4.05Å; Y107-P109 HydrophobicContact CE2-CB 4.14Å; Y107-V115 HydrophobicContact CD2-CG2 4.05Å; Y107-V115 HydrophobicContact CG-CG2 4.13Å
108N96.2Very high96.2Very high88 Ų8879.5 Ų79.547%0.47139%0.385SS..  trans-136.495.1171.7-177.7-9.4000108.8K110 R111 F112N108-K110 PolarHBondContact O-N 3.32Å; N108-K110 VanDerWaalsContact O-N 3.16Å; N108-K110 WeakPolarHBondContact OD1-CB 3.13Å; N108-K110 PolarHBondContact OD1-N 3.12Å; N108-R111 HydrophobicContact CB-CB 4.18Å; N108-R111 PolarHBondContact O-N 3.45Å; N108-F112 PolarHBondContact O-N 3.06Å
109P94.9Very high96.2Very high77 Ų7780.9 Ų80.950%0.539%0.393SS..THydrogen-bonded Turntrans-62.6-23.1-175.521.8-31.2000113.8Y107 R111Y107-P109 HydrophobicContact CE1-CB 4.41Å; Y107-P109 HydrophobicContact CE1-CG 4.05Å; Y107-P109 HydrophobicContact CE2-CB 4.14Å; P109-R111 VanDerWaalsContact C-N 3.26Å; P109-R111 PolarHBondContact O-N 3.41Å
110K96.4Very high96.2Very high210 Ų21091.2 Ų91.291%0.91343%0.426SS*.THydrogen-bonded Turntrans-69.8-26.2174.2-64.7-174.3176.6-177.10112.3N108N108-K110 PolarHBondContact O-N 3.32Å; N108-K110 VanDerWaalsContact O-N 3.16Å; N108-K110 WeakPolarHBondContact OD1-CB 3.13Å; N108-K110 PolarHBondContact OD1-N 3.12Å
111R96.6Very high96.3Very high193 Ų19391.9 Ų91.973%0.72843%0.426SS*.THydrogen-bonded Turntrans-95.6-45.2179.5-176.3179.4-178-81.3-1.9112N108 P109N108-R111 HydrophobicContact CB-CB 4.18Å; N108-R111 PolarHBondContact O-N 3.45Å; P109-R111 VanDerWaalsContact C-N 3.26Å; P109-R111 PolarHBondContact O-N 3.41Å
112F96.4Very high96.4Very high84 Ų8489.4 Ų89.437%0.36841%0.408SS..  trans-159.5131.1-175.7-168.1-125.3000111.3N108 A114 L127 F129N108-F112 PolarHBondContact O-N 3.06Å; F112-A114 HydrophobicContact CD1-CB 3.88Å; F112-A114 HydrophobicContact CE1-CB 3.65Å; F112-A114 HydrophobicContact CZ-CB 4.43Å; F112-A114 PolarHBondContact O-N 3.31Å; F112-L127 HydrophobicContact CE1-CD1 4.14Å; F112-L127 HydrophobicContact CE1-CD2 4.31Å; F112-L127 HydrophobicContact CZ-CD1 4.37Å; F112-F129 HydrophobicContact CZ-CE1 4.34Å; F112-F129 HydrophobicContact CZ-CZ 4.22Å
113A96Very high96.6Very high65 Ų6599.2 Ų99.254%0.53744%0.442SS..SBendtrans-80.839.3-173.400000114.2
114A98Very high96.9Very high2 Ų287.8 Ų87.82%0.01740%0.4CS..EExtended strand (participates in β ladder)trans-148.3152.4177.100000111F112 L127 I128 F129F112-A114 HydrophobicContact CD1-CB 3.88Å; F112-A114 HydrophobicContact CE1-CB 3.65Å; F112-A114 HydrophobicContact CZ-CB 4.43Å; F112-A114 PolarHBondContact O-N 3.31Å; A114-L127 HydrophobicContact CB-CB 4.49Å; A114-I128 CarbonylContact C-O 3.53Å; A114-I128 VanDerWaalsContact CA-O 3.28Å; A114-I128 WeakPolarHBondContact CA-O 3.46Å; A114-I128 WeakPolarHBondContact CB-O 3.11Å; A114-F129 HydrophobicContact CB-CD1 3.88Å; A114-F129 HydrophobicContact CB-CE1 3.85Å; A114-F129 HydrophobicContact CB-CE2 4.49Å; A114-F129 HydrophobicContact CB-CG 4.24Å; A114-F129 HydrophobicContact CB-CZ 4.17Å
115V98.3Very high97.2Very high0 Ų083.7 Ų83.70%038%0.378CS..EExtended strand (participates in β ladder)trans-78.4129.3168.8174.90000108.6L95 I98 A105 E106 Y107 L127 I128L95-V115 HydrophobicContact CB-CG2 3.7Å; L95-V115 HydrophobicContact CD1-CG2 4.48Å; L95-V115 HydrophobicContact CD2-CG2 3.85Å; L95-V115 HydrophobicContact CG-CG2 4.19Å; L95-V115 WeakPolarHBondContact O-CG2 2.89Å; I98-V115 HydrophobicContact CB-CG2 4.46Å; I98-V115 HydrophobicContact CG2-CG1 4.1Å; I98-V115 HydrophobicContact CG2-CG2 4.4Å; A105-V115 HydrophobicContact CB-CG1 3.76Å; E106-V115 WeakPolarHBondContact O-CA 3.34Å; Y107-V115 HydrophobicContact CD2-CG2 4.05Å; Y107-V115 HydrophobicContact CG-CG2 4.13Å; V115-L127 WeakPolarHBondContact O-CA 3.47Å; V115-I128 HydrophobicContact CB-CB 4.33Å; V115-I128 PolarHBondContact N-O 2.92Å; V115-I128 PolarHBondContact O-N 3.01Å
116I98.4Very high97.3Very high23 Ų2382.9 Ų82.912%0.11837%0.372CS..EExtended strand (participates in β ladder)trans-95111.3173-55176.6000107.4A105 E106 T125 A126 L127A105-I116 CarbonylContact C-O 3.37Å; A105-I116 VanDerWaalsContact CA-O 3.32Å; A105-I116 WeakPolarHBondContact CA-O 3.12Å; E106-I116 HydrophobicContact CB-CB 4.42Å; E106-I116 PolarHBondContact N-O 3Å; E106-I116 PolarHBondContact O-N 3.26Å; I116-T125 HydrophobicContact CG2-CG2 3.67Å; I116-A126 WeakPolarHBondContact CA-O 3.37Å; I116-L127 HydrophobicContact CB-CD2 4.46Å; I116-L127 HydrophobicContact CG1-CD2 3.93Å; I116-L127 HydrophobicContact CG2-CD2 4.31Å
117M98.1Very high97.4Very high4 Ų479 Ų792%0.0235%0.354CS..EExtended strand (participates in β ladder)trans-115.8133.9-179.7-170.2-177.4-72.100111.3I98 A102 N104 A105 T125 A126 I128 Y152 I155 I156I98-M117 HydrophobicContact CG2-CE 3.82Å; A102-M117 HydrophobicContact CB-CE 3.92Å; N104-M117 WeakPolarHBondContact O-CA 3.41Å; A105-M117 HydrophobicContact CB-CE 4.24Å; A105-M117 HydrophobicContact CB-CG 4.5Å; M117-T125 CarbonylContact O-C 3.53Å; M117-T125 WeakPolarHBondContact O-CA 3.27Å; M117-A126 PolarHBondContact N-O 3.44Å; M117-A126 PolarHBondContact O-N 3.38Å; M117-I128 HydrophobicContact CB-CD1 4.25Å; M117-I128 HydrophobicContact CE-CD1 4.04Å; M117-I128 HydrophobicContact SD-CD1 4.32Å; M117-Y152 HydrophobicContact CB-CD1 4.38Å; M117-Y152 HydrophobicContact CB-CE1 4.06Å; M117-Y152 HydrophobicContact CG-CD1 4.12Å; M117-Y152 HydrophobicContact CG-CE1 3.88Å; M117-Y152 WeakPolarHBondContact O-CE1 3.19Å; M117-Y152 PolarHBondContact O-OH 3.24Å; M117-Y152 VanDerWaalsContact O-OH 3.08Å; M117-Y152 HydrophobicContact SD-CD1 3.75Å; M117-Y152 HydrophobicContact SD-CE1 4.12Å; M117-I155 HydrophobicContact CE-CG2 4.05Å; M117-I155 HydrophobicContact SD-CB 4.36Å; M117-I155 HydrophobicContact SD-CD1 4.14Å; M117-I155 HydrophobicContact SD-CG2 3.83Å; M117-I156 HydrophobicContact CE-CD1 3.95Å
118R98.1Very high97.4Very high123 Ų12375.2 Ų75.246%0.46434%0.34SS..EExtended strand (participates in β ladder)trans-120.1139.5-177.1-58.7-176.3-171.6-9510.8111.9N104 T125N104-R118 WeakPolarHBondContact CB-O 3.17Å; N104-R118 PolarHBondContact O-N 2.98Å; R118-T125 HydrophobicContact CG-CG2 4.05Å; R118-T125 PolarHBondContact NH1-OG1 3.43Å
119I97.6Very high97.5Very high29 Ų2973.7 Ų73.715%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-126.7153.6170.865.5178.3000109.7P122 T124 K151 Y152 I155I119-P122 WeakPolarHBondContact CG1-O 3.09Å; I119-T124 VanDerWaalsContact CG1-OG1 3.28Å; I119-T124 WeakPolarHBondContact CG1-OG1 3.23Å; I119-T124 PolarHBondContact N-O 2.85Å; I119-T124 PolarHBondContact O-N 3.25Å; I119-K151 HydrophobicContact CD1-CB 4.04Å; I119-K151 HydrophobicContact CD1-CD 4.17Å; I119-Y152 HydrophobicContact CB-CE1 4.46Å; I119-Y152 HydrophobicContact CD1-CD2 4.39Å; I119-Y152 HydrophobicContact CD1-CE1 4.41Å; I119-Y152 HydrophobicContact CD1-CE2 3.92Å; I119-Y152 HydrophobicContact CG1-CE1 4.22Å; I119-Y152 HydrophobicContact CG1-CE2 4.12Å; I119-Y152 HydrophobicContact CG2-CD1 4.28Å; I119-Y152 HydrophobicContact CG2-CE1 3.69Å; I119-Y152 PolarHBondContact N-OH 2.96Å; I119-I155 HydrophobicContact CG2-CD1 3.91Å
120R96.7Very high97.6Very high240 Ų24073.2 Ų73.291%0.90633%0.328SS*.THydrogen-bonded Turntrans-85.9-30.8-176.9-66.7-176.7179.9178.2-0.8113.5P122 R123R120-P122 CarbonylContact C-O 3.56Å; R120-P122 CarbonylContact O-C 3.59Å; R120-R123 VanDerWaalsContact O-CA 3.23Å; R120-R123 WeakPolarHBondContact O-CA 3.41Å; R120-R123 WeakPolarHBondContact O-CB 3.46Å; R120-R123 PolarHBondContact O-N 3.1Å
121E96Very high97.7Very high150 Ų15065.9 Ų65.970%0.70130%0.302SS*.THydrogen-bonded Turntrans-135.8112.4-173.2-172.1177.1-165.700112.1K151E121-K151 WeakPolarHBondContact O-CD 3.22Å; E121-K151 PolarHBondContact O-NZ 2.86Å
122P96.8Very high97.8Very high12 Ų1256.7 Ų56.78%0.07827%0.268CS..THydrogen-bonded Turncis-58.8153.3-17.229.5-37000110.8I119 R120 T124 Q144 A148I119-P122 WeakPolarHBondContact CG1-O 3.09Å; R120-P122 CarbonylContact C-O 3.56Å; R120-P122 CarbonylContact O-C 3.59Å; P122-T124 HydrophobicContact CB-CG2 4.19Å; P122-T124 HydrophobicContact CG-CG2 4.01Å; P122-T124 PolarHBondContact O-N 3.11Å; P122-T124 PolarHBondContact O-OG1 2.82Å; P122-Q144 HydrophobicContact CB-CB 4.27Å; P122-Q144 HydrophobicContact CB-CG 4.41Å; P122-Q144 HydrophobicContact CG-CB 4.44Å; P122-A148 HydrophobicContact CG-CB 3.67Å
123R98Very high97.9Very high221 Ų22157.9 Ų57.983%0.83427%0.273SS*.THydrogen-bonded Turntrans-69.995.7-178.7-177.3178.5177.1169.7-1109.8R120R120-R123 VanDerWaalsContact O-CA 3.23Å; R120-R123 WeakPolarHBondContact O-CA 3.41Å; R120-R123 WeakPolarHBondContact O-CB 3.46Å; R120-R123 PolarHBondContact O-N 3.1Å
124T98.5Very high98Very high4 Ų454.9 Ų54.93%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-135.5166.7-174.357.40000111.8I119 P122 T137 A139 A148 Y152I119-T124 VanDerWaalsContact CG1-OG1 3.28Å; I119-T124 WeakPolarHBondContact CG1-OG1 3.23Å; I119-T124 PolarHBondContact N-O 2.85Å; I119-T124 PolarHBondContact O-N 3.25Å; P122-T124 HydrophobicContact CB-CG2 4.19Å; P122-T124 HydrophobicContact CG-CG2 4.01Å; P122-T124 PolarHBondContact O-N 3.11Å; P122-T124 PolarHBondContact O-OG1 2.82Å; T124-T137 CarbonylContact C-O 3.51Å; T124-T137 VanDerWaalsContact CA-O 3.28Å; T124-T137 WeakPolarHBondContact CA-O 3.33Å; T124-T137 VanDerWaalsContact CB-O 3.3Å; T124-T137 WeakPolarHBondContact CB-O 3.43Å; T124-A139 HydrophobicContact CG2-CB 4.09Å; T124-A148 HydrophobicContact CG2-CB 3.74Å; T124-Y152 PolarHBondContact O-OH 3.32Å; T124-Y152 WeakPolarHBondContact OG1-CE2 3.26Å; T124-Y152 PolarHBondContact OG1-OH 3.48Å
125T98.5Very high98Very high22 Ų2255.8 Ų55.814%0.13525%0.253CS..EExtended strand (participates in β ladder)trans-128.1133.3171.5-58.30000109.2I116 M117 R118 L127 C136 T137 Y152I116-T125 HydrophobicContact CG2-CG2 3.67Å; M117-T125 CarbonylContact O-C 3.53Å; M117-T125 WeakPolarHBondContact O-CA 3.27Å; R118-T125 HydrophobicContact CG-CG2 4.05Å; R118-T125 PolarHBondContact NH1-OG1 3.43Å; T125-L127 HydrophobicContact CG2-CD2 4.49Å; T125-C136 WeakPolarHBondContact O-CA 3.31Å; T125-T137 PolarHBondContact N-O 2.86Å; T125-T137 PolarHBondContact O-N 2.87Å; T125-Y152 VanDerWaalsContact CA-OH 3.22Å; T125-Y152 WeakPolarHBondContact CA-OH 3.38Å; T125-Y152 PolarHBondContact N-OH 3.07Å
126A98.6Very high98Very high0 Ų055.9 Ų55.90%025%0.254CS..EExtended strand (participates in β ladder)trans-106.4140.1171.400000110.6I116 M117 I128 M134 V135 Y152I116-A126 WeakPolarHBondContact CA-O 3.37Å; M117-A126 PolarHBondContact N-O 3.44Å; M117-A126 PolarHBondContact O-N 3.38Å; A126-I128 HydrophobicContact CB-CG1 4.26Å; A126-M134 HydrophobicContact CB-CG 4.1Å; A126-M134 HydrophobicContact CB-SD 3.86Å; A126-V135 CarbonylContact C-O 3.54Å; A126-V135 WeakPolarHBondContact CA-O 3.39Å; A126-Y152 HydrophobicContact CB-CD1 3.6Å; A126-Y152 HydrophobicContact CB-CD2 3.64Å; A126-Y152 HydrophobicContact CB-CE1 3.54Å; A126-Y152 HydrophobicContact CB-CE2 3.61Å; A126-Y152 HydrophobicContact CB-CG 3.63Å; A126-Y152 PolarHBondContact N-OH 2.85Å
127L98.5Very high98Very high32 Ų3256.8 Ų56.817%0.16826%0.261CS..EExtended strand (participates in β ladder)trans-108.7116167.5-48.5177.6000107F112 A114 V115 I116 T125 F129 M134 V135F112-L127 HydrophobicContact CE1-CD1 4.14Å; F112-L127 HydrophobicContact CE1-CD2 4.31Å; F112-L127 HydrophobicContact CZ-CD1 4.37Å; A114-L127 HydrophobicContact CB-CB 4.49Å; V115-L127 WeakPolarHBondContact O-CA 3.47Å; I116-L127 HydrophobicContact CB-CD2 4.46Å; I116-L127 HydrophobicContact CG1-CD2 3.93Å; I116-L127 HydrophobicContact CG2-CD2 4.31Å; T125-L127 HydrophobicContact CG2-CD2 4.49Å; L127-F129 HydrophobicContact CB-CE2 4.15Å; L127-M134 CarbonylContact O-C 3.56Å; L127-M134 VanDerWaalsContact O-CA 3.28Å; L127-M134 WeakPolarHBondContact O-CA 3.48Å; L127-V135 HydrophobicContact CB-CB 4.22Å; L127-V135 HydrophobicContact CD1-CB 4.47Å; L127-V135 PolarHBondContact N-O 2.83Å; L127-V135 PolarHBondContact O-N 2.81Å
128I98.4Very high98Very high0 Ų058.1 Ų58.10%028%0.275CS..EExtended strand (participates in β ladder)trans-112.4118.3-172.7-54.4175.8000108.7L89 L93 L95 A114 V115 M117 A126 M134 I156L89-I128 HydrophobicContact CD1-CG2 4.36Å; L93-I128 HydrophobicContact CD1-CG2 3.45Å; L93-I128 VanDerWaalsContact CD1-CG2 3.45Å; L95-I128 WeakPolarHBondContact CD2-O 3.38Å; A114-I128 CarbonylContact C-O 3.53Å; A114-I128 VanDerWaalsContact CA-O 3.28Å; A114-I128 WeakPolarHBondContact CA-O 3.46Å; A114-I128 WeakPolarHBondContact CB-O 3.11Å; V115-I128 HydrophobicContact CB-CB 4.33Å; V115-I128 PolarHBondContact N-O 2.92Å; V115-I128 PolarHBondContact O-N 3.01Å; M117-I128 HydrophobicContact CB-CD1 4.25Å; M117-I128 HydrophobicContact CE-CD1 4.04Å; M117-I128 HydrophobicContact SD-CD1 4.32Å; A126-I128 HydrophobicContact CB-CG1 4.26Å; I128-M134 HydrophobicContact CD1-SD 4.22Å; I128-M134 HydrophobicContact CG1-CG 4.02Å; I128-M134 HydrophobicContact CG1-SD 3.92Å; I128-I156 HydrophobicContact CD1-CD1 3.8Å; I128-I156 HydrophobicContact CD1-CG1 4.07Å
129F98.5Very high98Very high56 Ų5652.3 Ų52.325%0.24625%0.253CS..EExtended strand (participates in β ladder)trans-95.5152.7-177.3-63.5-91.8000111F112 A114 L127 S131 G132 K133 V135F112-F129 HydrophobicContact CZ-CE1 4.34Å; F112-F129 HydrophobicContact CZ-CZ 4.22Å; A114-F129 HydrophobicContact CB-CD1 3.88Å; A114-F129 HydrophobicContact CB-CE1 3.85Å; A114-F129 HydrophobicContact CB-CE2 4.49Å; A114-F129 HydrophobicContact CB-CG 4.24Å; A114-F129 HydrophobicContact CB-CZ 4.17Å; L127-F129 HydrophobicContact CB-CE2 4.15Å; F129-S131 PolarHBondContact O-N 2.93Å; F129-S131 VanDerWaalsContact O-N 3.12Å; F129-G132 PolarHBondContact O-N 2.93Å; F129-K133 HydrophobicContact CB-CB 4.44Å; F129-K133 WeakPolarHBondContact CB-O 3.38Å; F129-K133 HydrophobicContact CD2-CB 4.36Å; F129-K133 WeakPolarHBondContact CD2-O 3.37Å; F129-K133 PolarHBondContact N-O 2.92Å; F129-V135 HydrophobicContact CE2-CG2 3.93Å
130S98Very high98Very high68 Ų6857 Ų5748%0.47627%0.273SS..THydrogen-bonded Turntrans-59.2-25178.7550000113.1K92 L93 G132K92-S130 WeakPolarHBondContact CA-O 3.39Å; L93-S130 PolarHBondContact N-O 2.89Å; S130-G132 PolarHBondContact O-N 2.91Å
131S97.7Very high98Very high55 Ų5546.7 Ų46.739%0.38524%0.237SC..THydrogen-bonded Turntrans-69.2-10.5174.660.80000114.4Y88 F129 K133Y88-S131 WeakPolarHBondContact CE2-O 3.2Å; F129-S131 PolarHBondContact O-N 2.93Å; F129-S131 VanDerWaalsContact O-N 3.12Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact OG-N 2.78Å
132G97.9Very high98.1Very high0 Ų041.4 Ų41.40%021%0.213CC..SBendtrans86.6-3.2-171.300000113.6L89 C91 F129 S130L89-G132 WeakPolarHBondContact CB-O 3.31Å; L89-G132 WeakPolarHBondContact CG-O 3.3Å; L89-G132 PolarHBondContact N-O 2.99Å; C91-G132 WeakPolarHBondContact O-CA 3.46Å; F129-G132 PolarHBondContact O-N 2.93Å; S130-G132 PolarHBondContact O-N 2.91Å
133K98.4Very high98.2Very high110 Ų11046.7 Ų46.748%0.47824%0.236SC..EExtended strand (participates in β ladder)trans-68.4140.1168-68.6-175.8178.8176.70109.6Y88 F129 S131Y88-K133 HydrophobicContact CD2-CG 4.36Å; F129-K133 HydrophobicContact CB-CB 4.44Å; F129-K133 WeakPolarHBondContact CB-O 3.38Å; F129-K133 HydrophobicContact CD2-CB 4.36Å; F129-K133 WeakPolarHBondContact CD2-O 3.37Å; F129-K133 PolarHBondContact N-O 2.92Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact OG-N 2.78Å
134M98.6Very high98.2Very high1 Ų139.9 Ų39.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-131.2132.5173.8177171.166.800110.1T86 V87 L89 A126 L127 I128 A149 Y152T86-M134 CarbonylContact C-O 3.54Å; T86-M134 VanDerWaalsContact CA-O 3.24Å; T86-M134 WeakPolarHBondContact CA-O 3.48Å; V87-M134 HydrophobicContact CG1-CB 3.84Å; V87-M134 HydrophobicContact CG1-CE 3.15Å; V87-M134 HydrophobicContact CG1-CG 4.24Å; V87-M134 PolarHBondContact N-O 3.38Å; V87-M134 PolarHBondContact O-N 2.87Å; L89-M134 HydrophobicContact CD1-CB 4.32Å; L89-M134 HydrophobicContact CD2-CE 4.08Å; L89-M134 HydrophobicContact CG-CB 4.41Å; A126-M134 HydrophobicContact CB-CG 4.1Å; A126-M134 HydrophobicContact CB-SD 3.86Å; L127-M134 CarbonylContact O-C 3.56Å; L127-M134 VanDerWaalsContact O-CA 3.28Å; L127-M134 WeakPolarHBondContact O-CA 3.48Å; I128-M134 HydrophobicContact CD1-SD 4.22Å; I128-M134 HydrophobicContact CG1-CG 4.02Å; I128-M134 HydrophobicContact CG1-SD 3.92Å; M134-A149 HydrophobicContact CE-CB 4.45Å; M134-A149 WeakPolarHBondContact CE-O 3.36Å; M134-Y152 WeakPolarHBondContact SD-CB 3.44Å; M134-Y152 HydrophobicContact SD-CG 4.12Å
135V98.7Very high98.2Very high22 Ų2239.7 Ų39.713%0.13321%0.213CC..EExtended strand (participates in β ladder)trans-104.7133.1170.41790000107.8V84 C85 T86 A126 L127 F129V84-V135 HydrophobicContact CG1-CG1 3.82Å; C85-V135 CarbonylContact O-C 3.37Å; C85-V135 WeakPolarHBondContact O-CA 3.16Å; T86-V135 HydrophobicContact CG2-CG2 3.97Å; A126-V135 CarbonylContact C-O 3.54Å; A126-V135 WeakPolarHBondContact CA-O 3.39Å; L127-V135 HydrophobicContact CB-CB 4.22Å; L127-V135 HydrophobicContact CD1-CB 4.47Å; L127-V135 PolarHBondContact N-O 2.83Å; L127-V135 PolarHBondContact O-N 2.81Å; F129-V135 HydrophobicContact CE2-CG2 3.93Å
136C98.6Very high98.2Very high2 Ų245.1 Ų45.11%0.01423%0.231CC..EExtended strand (participates in β ladder)trans-120.1135.9175177.20000109.8V84 C85 T125 A149V84-C136 WeakPolarHBondContact CA-O 3.47Å; C85-C136 PolarHBondContact N-O 3.48Å; C85-C136 PolarHBondContact O-N 2.98Å; T125-C136 WeakPolarHBondContact O-CA 3.31Å; C136-A149 HydrophobicContact CB-CB 4.48Å
137T98.4Very high98.2Very high42 Ų4249.1 Ų49.126%0.25825%0.252SS..EExtended strand (participates in β ladder)trans-139.4157.9-177.5-175.20000111.2N82 T124 T125N82-T137 PolarHBondContact ND2-OG1 2.97Å; T124-T137 CarbonylContact C-O 3.51Å; T124-T137 VanDerWaalsContact CA-O 3.28Å; T124-T137 WeakPolarHBondContact CA-O 3.33Å; T124-T137 VanDerWaalsContact CB-O 3.3Å; T124-T137 WeakPolarHBondContact CB-O 3.43Å; T125-T137 PolarHBondContact N-O 2.86Å; T125-T137 PolarHBondContact O-N 2.87Å
138G97.7Very high98.2Very high32 Ų3247.6 Ų47.633%0.3324%0.244SC..EExtended strand (participates in β ladder)trans100.6-3.6176.500000114.8N82N82-G138 WeakPolarHBondContact OD1-CA 3.43Å; N82-G138 PolarHBondContact OD1-N 3.45Å
139A98.3Very high98.2Very high0 Ų047.6 Ų47.60%024%0.244CC..EExtended strand (participates in β ladder)trans-74.4144.2177.400000111N82 I83 T124 Q144 A145N82-A139 CarbonylContact C-O 3.59Å; N82-A139 VanDerWaalsContact CA-O 3.32Å; N82-A139 WeakPolarHBondContact CA-O 3.23Å; I83-A139 PolarHBondContact N-O 2.83Å; T124-A139 HydrophobicContact CG2-CB 4.09Å; A139-Q144 HydrophobicContact CB-CB 4.04Å; A139-A145 VanDerWaalsContact CB-CA 3.49Å; A139-A145 HydrophobicContact CB-CB 3.69Å
140K96.9Very high98.2Very high128 Ų12852.2 Ų52.256%0.55726%0.259SS*.SBendtrans-98.8-4.7179.5-63.5-170.3175.5-170.20114.1L80 Q144L80-K140 WeakPolarHBondContact CB-O 3.47Å; K140-Q144 VanDerWaalsContact N-OE1 3.17Å
141S97.7Very high98.2Very high23 Ų2352.7 Ų52.716%0.16125%0.253CS..SBendtrans-149.3161.5176.291.10000110.3E143 Q144 A145S141-E143 VanDerWaalsContact C-N 3.31Å; S141-E143 WeakPolarHBondContact CB-OE2 3.47Å; S141-E143 PolarHBondContact O-N 3.3Å; S141-E143 PolarHBondContact OG-N 2.81Å; S141-E143 PolarHBondContact OG-OE2 3.31Å; S141-Q144 WeakPolarHBondContact O-CB 3.42Å; S141-Q144 PolarHBondContact O-N 2.85Å; S141-Q144 WeakPolarHBondContact OG-CG 3.3Å; S141-Q144 PolarHBondContact OG-N 2.99Å; S141-Q144 VanDerWaalsContact OG-N 3.13Å; S141-A145 WeakPolarHBondContact O-CB 3.19Å; S141-A145 PolarHBondContact O-N 2.81Å
142E97.7Very high98.2Very high40 Ų4050.1 Ų50.119%0.18724%0.235CC..Hα-helixtrans-64.4-40.5-177.5-66.487131.900110.1L80 I83 A145 R146 M173 R233L80-E142 WeakPolarHBondContact CD1-OE2 3.48Å; I83-E142 HydrophobicContact CD1-CB 4.45Å; I83-E142 HydrophobicContact CD1-CG 3.88Å; I83-E142 VanDerWaalsContact CD1-N 3.35Å; E142-A145 PolarHBondContact O-N 2.88Å; E142-R146 WeakPolarHBondContact O-CB 3.45Å; E142-R146 PolarHBondContact O-N 3.32Å; E142-M173 HydrophobicContact CG-CE 3.4Å; E142-R233 VanDerWaalsContact CD-NH2 3.26Å; E142-R233 WeakPolarHBondContact OE1-CB 3.36Å; E142-R233 IonicContact OE1-CZ 2.95Å; E142-R233 VanDerWaalsContact OE1-CZ 3.31Å; E142-R233 IonicContact OE1-NE 3.02Å; E142-R233 PolarHBondContact OE1-NE 3.37Å; E142-R233 IonicContact OE1-NH2 3.78Å; E142-R233 PolarHBondContact OE1-NH2 3Å; E142-R233 IonicContact OE2-CZ 3.72Å; E142-R233 IonicContact OE2-NE 3.51Å; E142-R233 IonicContact OE2-NH2 3.79Å; E142-R233 PolarHBondContact OE2-NH2 3.48Å
143E98Very high98.2Very high123 Ų12350.3 Ų50.358%0.57524%0.236SC*.Hα-helixtrans-63.9-44.9175-52.576.9-163.100110.3S141 A145 R146 L147S141-E143 VanDerWaalsContact C-N 3.31Å; S141-E143 WeakPolarHBondContact CB-OE2 3.47Å; S141-E143 PolarHBondContact O-N 3.3Å; S141-E143 PolarHBondContact OG-N 2.81Å; S141-E143 PolarHBondContact OG-OE2 3.31Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.45Å; E143-R146 PolarHBondContact O-N 2.84Å; E143-L147 VanDerWaalsContact O-CB 3.25Å; E143-L147 WeakPolarHBondContact O-CB 3.41Å; E143-L147 PolarHBondContact O-N 2.81Å
144Q98.1Very high98.2Very high78 Ų7851.4 Ų51.436%0.36424%0.238SC..Hα-helixtrans-62.9-41.8175.1-72.6-172.7-0.200111.5P122 A139 K140 S141 L147 A148P122-Q144 HydrophobicContact CB-CB 4.27Å; P122-Q144 HydrophobicContact CB-CG 4.41Å; P122-Q144 HydrophobicContact CG-CB 4.44Å; A139-Q144 HydrophobicContact CB-CB 4.04Å; K140-Q144 VanDerWaalsContact N-OE1 3.17Å; S141-Q144 WeakPolarHBondContact O-CB 3.42Å; S141-Q144 PolarHBondContact O-N 2.85Å; S141-Q144 WeakPolarHBondContact OG-CG 3.3Å; S141-Q144 PolarHBondContact OG-N 2.99Å; S141-Q144 VanDerWaalsContact OG-N 3.13Å; Q144-L147 PolarHBondContact O-N 3.29Å; Q144-A148 VanDerWaalsContact O-CB 3.24Å; Q144-A148 WeakPolarHBondContact O-CB 3.45Å; Q144-A148 PolarHBondContact O-N 3.15Å
145A98.5Very high98.1Very high0 Ų053.9 Ų53.90%025%0.25CS..Hα-helixtrans-62.3-44.6178.900000111.2I83 A139 S141 E142 E143 A149 I170I83-A145 HydrophobicContact CB-CB 4.31Å; I83-A145 HydrophobicContact CG2-CB 3.96Å; A139-A145 VanDerWaalsContact CB-CA 3.49Å; A139-A145 HydrophobicContact CB-CB 3.69Å; S141-A145 WeakPolarHBondContact O-CB 3.19Å; S141-A145 PolarHBondContact O-N 2.81Å; E142-A145 PolarHBondContact O-N 2.88Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.45Å; A145-A149 WeakPolarHBondContact O-CB 3.32Å; A145-A149 PolarHBondContact O-N 3.34Å; A145-I170 HydrophobicContact CB-CD1 4.45Å
146R98.4Very high98.1Very high136 Ų13652.9 Ų52.951%0.51324%0.244SC..Hα-helixtrans-66.6-43.8176.5-168174.8-172.8138.30.1111.8E142 E143 A149 R150 F165 F168E142-R146 WeakPolarHBondContact O-CB 3.45Å; E142-R146 PolarHBondContact O-N 3.32Å; E143-R146 PolarHBondContact O-N 2.84Å; R146-A149 PolarHBondContact O-N 3.49Å; R146-R150 WeakPolarHBondContact O-CG 3.38Å; R146-R150 PolarHBondContact O-N 2.94Å; R146-F165 HydrophobicContact CG-CE1 4.49Å; R146-F165 HydrophobicContact CG-CZ 4.15Å; R146-F168 HydrophobicContact CB-CE1 4.13Å; R146-F168 HydrophobicContact CB-CE2 4.08Å; R146-F168 HydrophobicContact CB-CZ 3.7Å; R146-F168 HydrophobicContact CG-CD1 4.46Å; R146-F168 HydrophobicContact CG-CE1 4.23Å; R146-F168 HydrophobicContact CG-CE2 4.29Å; R146-F168 HydrophobicContact CG-CZ 4.13Å
147L98.5Very high98Very high83 Ų8356.2 Ų56.244%0.43526%0.259SS..Hα-helixtrans-61.2-47.3177178.262.2000111.4E143 Q144 R150 K151E143-L147 VanDerWaalsContact O-CB 3.25Å; E143-L147 WeakPolarHBondContact O-CB 3.41Å; E143-L147 PolarHBondContact O-N 2.81Å; Q144-L147 PolarHBondContact O-N 3.29Å; L147-R150 PolarHBondContact O-N 3.23Å; L147-K151 WeakPolarHBondContact O-CG 3.41Å; L147-K151 PolarHBondContact O-N 3.36Å
148A98.6Very high97.9Very high0 Ų063.4 Ų63.40%028%0.282CS..Hα-helixtrans-56.5-53.2176.600000111.3P122 T124 Q144 R150 K151 Y152P122-A148 HydrophobicContact CG-CB 3.67Å; T124-A148 HydrophobicContact CG2-CB 3.74Å; Q144-A148 VanDerWaalsContact O-CB 3.24Å; Q144-A148 WeakPolarHBondContact O-CB 3.45Å; Q144-A148 PolarHBondContact O-N 3.15Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 2.92Å; A148-K151 WeakPolarHBondContact O-CB 3.2Å; A148-K151 PolarHBondContact O-N 2.82Å; A148-Y152 HydrophobicContact CB-CE2 4.37Å; A148-Y152 WeakPolarHBondContact O-CD2 3.28Å; A148-Y152 PolarHBondContact O-N 2.76Å
149A98.6Very high97.8Very high0 Ų064.1 Ų64.10%028%0.278CS..Hα-helixtrans-58.1-38.9179.400000112V87 M134 C136 A145 R146 Y152 A153 F165 F168V87-A149 HydrophobicContact CG1-CB 4.31Å; M134-A149 HydrophobicContact CE-CB 4.45Å; M134-A149 WeakPolarHBondContact CE-O 3.36Å; C136-A149 HydrophobicContact CB-CB 4.48Å; A145-A149 WeakPolarHBondContact O-CB 3.32Å; A145-A149 PolarHBondContact O-N 3.34Å; R146-A149 PolarHBondContact O-N 3.49Å; A149-Y152 PolarHBondContact O-N 3.44Å; A149-A153 PolarHBondContact O-N 3.31Å; A149-F165 HydrophobicContact CB-CE2 3.73Å; A149-F165 HydrophobicContact CB-CZ 4.26Å; A149-F168 HydrophobicContact CB-CD2 4.26Å; A149-F168 HydrophobicContact CB-CE2 4.11Å
150R98.5Very high97.7Very high153 Ų15367.4 Ų67.458%0.57731%0.312SS*.Hα-helixtrans-65.8-42173.3-72.817970.5-167.52.5112.5R146 L147 A148 Y152 A153 R154 F165R146-R150 WeakPolarHBondContact O-CG 3.38Å; R146-R150 PolarHBondContact O-N 2.94Å; L147-R150 PolarHBondContact O-N 3.23Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 2.92Å; R150-Y152 VanDerWaalsContact C-N 3.34Å; R150-Y152 PolarHBondContact O-N 3.05Å; R150-A153 PolarHBondContact O-N 2.89Å; R150-R154 WeakPolarHBondContact O-CB 3.34Å; R150-R154 PolarHBondContact O-N 3.22Å; R150-F165 HydrophobicContact CB-CD2 4.45Å; R150-F165 HydrophobicContact CB-CE2 4.3Å; R150-F165 HydrophobicContact CG-CD1 4.36Å; R150-F165 HydrophobicContact CG-CD2 3.7Å; R150-F165 HydrophobicContact CG-CE1 4.16Å; R150-F165 HydrophobicContact CG-CE2 3.48Å; R150-F165 VanDerWaalsContact CG-CE2 3.48Å; R150-F165 HydrophobicContact CG-CG 4.14Å; R150-F165 HydrophobicContact CG-CZ 3.72Å
151K98.2Very high97.7Very high79 Ų7962.8 Ų62.834%0.34329%0.292SS..Hα-helixtrans-60.2-44.1175.5-74-173-179.7-172.10111I119 E121 L147 A148 R154 I155I119-K151 HydrophobicContact CD1-CB 4.04Å; I119-K151 HydrophobicContact CD1-CD 4.17Å; E121-K151 WeakPolarHBondContact O-CD 3.22Å; E121-K151 PolarHBondContact O-NZ 2.86Å; L147-K151 WeakPolarHBondContact O-CG 3.41Å; L147-K151 PolarHBondContact O-N 3.36Å; A148-K151 WeakPolarHBondContact O-CB 3.2Å; A148-K151 PolarHBondContact O-N 2.82Å; K151-R154 WeakPolarHBondContact O-CB 3.43Å; K151-R154 PolarHBondContact O-N 2.93Å; K151-I155 WeakPolarHBondContact O-CG1 3.41Å; K151-I155 PolarHBondContact O-N 3.17Å
152Y98.2Very high97.7Very high0 Ų069.3 Ų69.30%032%0.32CS..Hα-helixtrans-62.9-46.7175.2-72-66000112.8M117 I119 T124 T125 A126 M134 A148 A149 R150 R154 I155 I156M117-Y152 HydrophobicContact CB-CD1 4.38Å; M117-Y152 HydrophobicContact CB-CE1 4.06Å; M117-Y152 HydrophobicContact CG-CD1 4.12Å; M117-Y152 HydrophobicContact CG-CE1 3.88Å; M117-Y152 WeakPolarHBondContact O-CE1 3.19Å; M117-Y152 PolarHBondContact O-OH 3.24Å; M117-Y152 VanDerWaalsContact O-OH 3.08Å; M117-Y152 HydrophobicContact SD-CD1 3.75Å; M117-Y152 HydrophobicContact SD-CE1 4.12Å; I119-Y152 HydrophobicContact CB-CE1 4.46Å; I119-Y152 HydrophobicContact CD1-CD2 4.39Å; I119-Y152 HydrophobicContact CD1-CE1 4.41Å; I119-Y152 HydrophobicContact CD1-CE2 3.92Å; I119-Y152 HydrophobicContact CG1-CE1 4.22Å; I119-Y152 HydrophobicContact CG1-CE2 4.12Å; I119-Y152 HydrophobicContact CG2-CD1 4.28Å; I119-Y152 HydrophobicContact CG2-CE1 3.69Å; I119-Y152 PolarHBondContact N-OH 2.96Å; T124-Y152 PolarHBondContact O-OH 3.32Å; T124-Y152 WeakPolarHBondContact OG1-CE2 3.26Å; T124-Y152 PolarHBondContact OG1-OH 3.48Å; T125-Y152 VanDerWaalsContact CA-OH 3.22Å; T125-Y152 WeakPolarHBondContact CA-OH 3.38Å; T125-Y152 PolarHBondContact N-OH 3.07Å; A126-Y152 HydrophobicContact CB-CD1 3.6Å; A126-Y152 HydrophobicContact CB-CD2 3.64Å; A126-Y152 HydrophobicContact CB-CE1 3.54Å; A126-Y152 HydrophobicContact CB-CE2 3.61Å; A126-Y152 HydrophobicContact CB-CG 3.63Å; A126-Y152 PolarHBondContact N-OH 2.85Å; M134-Y152 WeakPolarHBondContact SD-CB 3.44Å; M134-Y152 HydrophobicContact SD-CG 4.12Å; A148-Y152 HydrophobicContact CB-CE2 4.37Å; A148-Y152 WeakPolarHBondContact O-CD2 3.28Å; A148-Y152 PolarHBondContact O-N 2.76Å; A149-Y152 PolarHBondContact O-N 3.44Å; R150-Y152 VanDerWaalsContact C-N 3.34Å; R150-Y152 PolarHBondContact O-N 3.05Å; Y152-R154 PolarHBondContact O-N 2.82Å; Y152-I155 HydrophobicContact CD1-CD1 4.45Å; Y152-I155 WeakPolarHBondContact O-CB 3.23Å; Y152-I155 PolarHBondContact O-N 3.39Å; Y152-I155 VanDerWaalsContact O-N 3.08Å; Y152-I156 PolarHBondContact O-N 2.65Å
153A98.2Very high97.7Very high4 Ų467.4 Ų67.43%0.03331%0.311CS..Hα-helixtrans-56.5-40.3174.900000111.3L89 A149 R150 I156 Q157 F165L89-A153 HydrophobicContact CD2-CB 3.71Å; A149-A153 PolarHBondContact O-N 3.31Å; R150-A153 PolarHBondContact O-N 2.89Å; A153-I156 PolarHBondContact O-N 3.34Å; A153-Q157 WeakPolarHBondContact O-CG 3.44Å; A153-Q157 PolarHBondContact O-N 2.97Å; A153-F165 HydrophobicContact CB-CD2 4.28Å
154R97.7Very high97.6Very high134 Ų13465.8 Ų65.851%0.50630%0.303SS..Hα-helixtrans-66.3-36.6176.3-173.456.7170175.21.3113.3R150 K151 Y152 Q157 R158R150-R154 WeakPolarHBondContact O-CB 3.34Å; R150-R154 PolarHBondContact O-N 3.22Å; K151-R154 WeakPolarHBondContact O-CB 3.43Å; K151-R154 PolarHBondContact O-N 2.93Å; Y152-R154 PolarHBondContact O-N 2.82Å; R154-Q157 VanDerWaalsContact CD-OE1 3.26Å; R154-Q157 PolarHBondContact O-N 2.78Å; R154-R158 WeakPolarHBondContact O-CG 3.24Å; R154-R158 PolarHBondContact O-N 2.86Å
155I96.9Very high97.7Very high53 Ų5365.1 Ų65.127%0.27230%0.299SS..Hα-helixtrans-62-47.3173.4-67.9164.2000109.4M117 I119 K151 Y152 Q157 R158 L159M117-I155 HydrophobicContact CE-CG2 4.05Å; M117-I155 HydrophobicContact SD-CB 4.36Å; M117-I155 HydrophobicContact SD-CD1 4.14Å; M117-I155 HydrophobicContact SD-CG2 3.83Å; I119-I155 HydrophobicContact CG2-CD1 3.91Å; K151-I155 WeakPolarHBondContact O-CG1 3.41Å; K151-I155 PolarHBondContact O-N 3.17Å; Y152-I155 HydrophobicContact CD1-CD1 4.45Å; Y152-I155 WeakPolarHBondContact O-CB 3.23Å; Y152-I155 PolarHBondContact O-N 3.39Å; Y152-I155 VanDerWaalsContact O-N 3.08Å; I155-Q157 VanDerWaalsContact C-N 3.34Å; I155-Q157 PolarHBondContact O-N 2.86Å; I155-R158 WeakPolarHBondContact O-CB 3.47Å; I155-R158 PolarHBondContact O-N 3.26Å; I155-R158 VanDerWaalsContact O-N 3.09Å; I155-L159 HydrophobicContact CG2-CD1 4.49Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 2.87Å; I155-L159 VanDerWaalsContact O-N 3.14Å
156I97.7Very high97.6Very high0 Ų070 Ų700%032%0.321CS..Hα-helixtrans-62.3-40.7178.8-61.7-52.9000111.8L89 L93 I98 M117 I128 Y152 A153 R158 L159 F161 A163L89-I156 HydrophobicContact CD1-CG1 4.28Å; L89-I156 HydrophobicContact CD1-CG2 4.43Å; L93-I156 HydrophobicContact CD1-CG2 4.42Å; L93-I156 HydrophobicContact CD2-CG2 3.82Å; I98-I156 HydrophobicContact CD1-CD1 3.94Å; I98-I156 HydrophobicContact CG1-CD1 4.24Å; I98-I156 HydrophobicContact CG2-CD1 3.9Å; M117-I156 HydrophobicContact CE-CD1 3.95Å; I128-I156 HydrophobicContact CD1-CD1 3.8Å; I128-I156 HydrophobicContact CD1-CG1 4.07Å; Y152-I156 PolarHBondContact O-N 2.65Å; A153-I156 PolarHBondContact O-N 3.34Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.84Å; I156-L159 HydrophobicContact CD1-CD1 4.15Å; I156-L159 PolarHBondContact O-N 3.3Å; I156-L159 VanDerWaalsContact O-N 3.16Å; I156-F161 HydrophobicContact CG2-CB 3.78Å; I156-F161 HydrophobicContact CG2-CD2 4Å; I156-F161 HydrophobicContact CG2-CG 4.13Å; I156-F161 PolarHBondContact O-N 3.03Å; I156-A163 HydrophobicContact CB-CB 4.11Å; I156-A163 HydrophobicContact CG2-CB 3.66Å
157Q97.1Very high97.6Very high72 Ų7270.7 Ų70.734%0.33633%0.329SS..Hα-helixtrans-56.8-44.5171.6-74177.7-14.500112.6A153 R154 I155 L159 G160 F161 A163A153-Q157 WeakPolarHBondContact O-CG 3.44Å; A153-Q157 PolarHBondContact O-N 2.97Å; R154-Q157 VanDerWaalsContact CD-OE1 3.26Å; R154-Q157 PolarHBondContact O-N 2.78Å; I155-Q157 VanDerWaalsContact C-N 3.34Å; I155-Q157 PolarHBondContact O-N 2.86Å; Q157-L159 PolarHBondContact O-N 2.84Å; Q157-G160 PolarHBondContact O-N 3.46Å; Q157-F161 WeakPolarHBondContact CA-O 3.49Å; Q157-A163 HydrophobicContact CG-CB 4.01Å; Q157-A163 WeakPolarHBondContact CG-O 3.49Å; Q157-A163 PolarHBondContact NE2-O 3.29Å
158R96.5Very high97.6Very high193 Ų19369 Ų6973%0.72832%0.319SS*.Hα-helixtrans-67.6-19179.5-75.8-179.8173177.8-1.8113.8R154 I155 I156 G160R154-R158 WeakPolarHBondContact O-CG 3.24Å; R154-R158 PolarHBondContact O-N 2.86Å; I155-R158 WeakPolarHBondContact O-CB 3.47Å; I155-R158 PolarHBondContact O-N 3.26Å; I155-R158 VanDerWaalsContact O-N 3.09Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.84Å; R158-G160 PolarHBondContact O-N 3.38Å
159L96.3Very high97.6Very high47 Ų4774.5 Ų74.525%0.24634%0.343CS..THydrogen-bonded Turntrans-823.1172.7-64.2177000112.9I98 A102 I155 I156 Q157 F161I98-L159 HydrophobicContact CB-CD1 4.39Å; I98-L159 HydrophobicContact CG1-CD1 4.29Å; I98-L159 HydrophobicContact CG2-CD1 3.99Å; A102-L159 HydrophobicContact CB-CD1 4.34Å; I155-L159 HydrophobicContact CG2-CD1 4.49Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 2.87Å; I155-L159 VanDerWaalsContact O-N 3.14Å; I156-L159 HydrophobicContact CD1-CD1 4.15Å; I156-L159 PolarHBondContact O-N 3.3Å; I156-L159 VanDerWaalsContact O-N 3.16Å; Q157-L159 PolarHBondContact O-N 2.84Å; L159-F161 HydrophobicContact CB-CD2 3.88Å; L159-F161 HydrophobicContact CB-CE2 3.97Å
160G96.4Very high97.6Very high69 Ų6975.7 Ų75.771%0.71135%0.349SS*.THydrogen-bonded Turntrans92.99.2176.700000114.8Q157 R158Q157-G160 PolarHBondContact O-N 3.46Å; R158-G160 PolarHBondContact O-N 3.38Å
161F97.1Very high97.5Very high32 Ų3271.2 Ų71.214%0.1433%0.334CS..  trans-90.7142.2174.2-60.6-85.4000110.8L93 N94 N97 I98 I156 Q157 L159 A163L93-F161 HydrophobicContact CD2-CB 3.87Å; L93-F161 HydrophobicContact CD2-CD1 3.58Å; L93-F161 HydrophobicContact CD2-CD2 4.37Å; L93-F161 HydrophobicContact CD2-CE1 4.21Å; L93-F161 HydrophobicContact CD2-CG 3.67Å; N94-F161 HydrophobicContact CB-CE1 4.33Å; N94-F161 HydrophobicContact CB-CZ 4.41Å; N97-F161 HydrophobicContact CB-CZ 4.34Å; I98-F161 HydrophobicContact CD1-CE2 4.06Å; I98-F161 HydrophobicContact CD1-CZ 4.22Å; I98-F161 HydrophobicContact CG1-CD2 4.25Å; I98-F161 HydrophobicContact CG1-CE2 3.43Å; I98-F161 VanDerWaalsContact CG1-CE2 3.43Å; I98-F161 HydrophobicContact CG1-CZ 3.75Å; I156-F161 HydrophobicContact CG2-CB 3.78Å; I156-F161 HydrophobicContact CG2-CD2 4Å; I156-F161 HydrophobicContact CG2-CG 4.13Å; I156-F161 PolarHBondContact O-N 3.03Å; Q157-F161 WeakPolarHBondContact CA-O 3.49Å; L159-F161 HydrophobicContact CB-CD2 3.88Å; L159-F161 HydrophobicContact CB-CE2 3.97Å; F161-A163 PolarHBondContact O-N 2.88Å
162E97Very high97.5Very high159 Ų15969.2 Ų69.274%0.74333%0.328SS*.  trans-75.352.8174.2-61.3-172.8154.800112.4H164E162-H164 PolarHBondContact O-CE1 2.88Å; E162-H164 VanDerWaalsContact O-CE1 3.31Å; E162-H164 PolarHBondContact O-ND1 2.73Å
163A97.2Very high97.5Very high1 Ų169.4 Ų69.41%0.00833%0.328CS..  trans-74138.3-179.500000111.4L89 I156 Q157 F161L89-A163 HydrophobicContact CB-CB 4.17Å; L89-A163 HydrophobicContact CD2-CB 4.39Å; L89-A163 CarbonylContact O-C 3.55Å; L89-A163 WeakPolarHBondContact O-CA 3.25Å; I156-A163 HydrophobicContact CB-CB 4.11Å; I156-A163 HydrophobicContact CG2-CB 3.66Å; Q157-A163 HydrophobicContact CG-CB 4.01Å; Q157-A163 WeakPolarHBondContact CG-O 3.49Å; Q157-A163 PolarHBondContact NE2-O 3.29Å; F161-A163 PolarHBondContact O-N 2.88Å
164H97.2Very high97.5Very high89 Ų8970.5 Ų70.541%0.41233%0.334SS..  trans-121.1165.9178.3-6683.3000110.1L89 E162 K166L89-H164 VanDerWaalsContact CA-O 3.28Å; L89-H164 WeakPolarHBondContact CA-O 3.47Å; L89-H164 PolarHBondContact O-N 3.11Å; E162-H164 PolarHBondContact O-CE1 2.88Å; E162-H164 VanDerWaalsContact O-CE1 3.31Å; E162-H164 PolarHBondContact O-ND1 2.73Å; H164-K166 HydrophobicContact CB-CD 4.27Å; H164-K166 HydrophobicContact CB-CG 4.05Å
165F98.2Very high97.6Very high64 Ų6464.1 Ų64.128%0.28131%0.31SS..  trans-106.185.6176-169.2-93.5000109.4V87 R146 A149 R150 A153 F168V87-F165 HydrophobicContact CB-CE2 4.35Å; V87-F165 HydrophobicContact CG2-CD2 3.65Å; V87-F165 HydrophobicContact CG2-CE2 3.72Å; V87-F165 HydrophobicContact CG2-CG 4.09Å; V87-F165 HydrophobicContact CG2-CZ 4.24Å; R146-F165 HydrophobicContact CG-CE1 4.49Å; R146-F165 HydrophobicContact CG-CZ 4.15Å; A149-F165 HydrophobicContact CB-CE2 3.73Å; A149-F165 HydrophobicContact CB-CZ 4.26Å; R150-F165 HydrophobicContact CB-CD2 4.45Å; R150-F165 HydrophobicContact CB-CE2 4.3Å; R150-F165 HydrophobicContact CG-CD1 4.36Å; R150-F165 HydrophobicContact CG-CD2 3.7Å; R150-F165 HydrophobicContact CG-CE1 4.16Å; R150-F165 HydrophobicContact CG-CE2 3.48Å; R150-F165 VanDerWaalsContact CG-CE2 3.48Å; R150-F165 HydrophobicContact CG-CG 4.14Å; R150-F165 HydrophobicContact CG-CZ 3.72Å; A153-F165 HydrophobicContact CB-CD2 4.28Å; F165-F168 HydrophobicContact CE1-CB 3.56Å; F165-F168 HydrophobicContact CE1-CD2 4.21Å; F165-F168 HydrophobicContact CE1-CG 4.03Å; F165-F168 HydrophobicContact CE2-CD2 4.28Å; F165-F168 HydrophobicContact CZ-CB 3.71Å; F165-F168 AromaticContact CZ-CD2 3.48Å; F165-F168 HydrophobicContact CZ-CD2 3.48Å; F165-F168 VanDerWaalsContact CZ-CD2 3.48Å; F165-F168 HydrophobicContact CZ-CE2 4.32Å; F165-F168 AromaticContact CZ-CG 3.78Å; F165-F168 HydrophobicContact CZ-CG 3.78Å
166K98Very high97.6Very high103 Ų10363.1 Ų63.145%0.44831%0.308SS..EExtended strand (participates in β ladder)trans-113.6152.3-176.7-58.5-179.3178.3179.60110.8V87 Y88 H164 F168V87-K166 WeakPolarHBondContact CG2-O 3.23Å; Y88-K166 HydrophobicContact CD1-CB 4.37Å; Y88-K166 PolarHBondContact N-O 3.23Å; Y88-K166 WeakPolarHBondContact O-CB 3.44Å; Y88-K166 PolarHBondContact O-N 2.91Å; H164-K166 HydrophobicContact CB-CD 4.27Å; H164-K166 HydrophobicContact CB-CG 4.05Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 3.47Å
167E97.4Very high97.6Very high149 Ų14963.8 Ų63.870%0.69631%0.313SS*.EExtended strand (participates in β ladder)trans52.442.3170.9-60174.1-152.200115K169E167-K169 PolarHBondContact O-N 3.2Å
168F98.5Very high97.6Very high49 Ų4963.5 Ų63.522%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-63.3124.4173.2176.2-94.1000110.5C85 T86 R146 A149 F165 K166 I170C85-F168 HydrophobicContact CB-CE2 3.81Å; C85-F168 HydrophobicContact CB-CZ 4.02Å; T86-F168 WeakPolarHBondContact O-CA 3.39Å; R146-F168 HydrophobicContact CB-CE1 4.13Å; R146-F168 HydrophobicContact CB-CE2 4.08Å; R146-F168 HydrophobicContact CB-CZ 3.7Å; R146-F168 HydrophobicContact CG-CD1 4.46Å; R146-F168 HydrophobicContact CG-CE1 4.23Å; R146-F168 HydrophobicContact CG-CE2 4.29Å; R146-F168 HydrophobicContact CG-CZ 4.13Å; A149-F168 HydrophobicContact CB-CD2 4.26Å; A149-F168 HydrophobicContact CB-CE2 4.11Å; F165-F168 HydrophobicContact CE1-CB 3.56Å; F165-F168 HydrophobicContact CE1-CD2 4.21Å; F165-F168 HydrophobicContact CE1-CG 4.03Å; F165-F168 HydrophobicContact CE2-CD2 4.28Å; F165-F168 HydrophobicContact CZ-CB 3.71Å; F165-F168 AromaticContact CZ-CD2 3.48Å; F165-F168 HydrophobicContact CZ-CD2 3.48Å; F165-F168 VanDerWaalsContact CZ-CD2 3.48Å; F165-F168 HydrophobicContact CZ-CE2 4.32Å; F165-F168 AromaticContact CZ-CG 3.78Å; F165-F168 HydrophobicContact CZ-CG 3.78Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 3.47Å; F168-I170 HydrophobicContact CE1-CD1 3.93Å; F168-I170 HydrophobicContact CZ-CD1 3.71Å
169K98.3Very high97.6Very high115 Ų11554.6 Ų54.650%0.528%0.28SS..EExtended strand (participates in β ladder)trans-144.9134.3-177.7-173170.2-176.5171.90111.6C85 T86 E167C85-K169 CarbonylContact C-O 3.5Å; C85-K169 VanDerWaalsContact CA-O 3.22Å; C85-K169 WeakPolarHBondContact CA-O 3.06Å; C85-K169 WeakPolarHBondContact CB-O 3.28Å; T86-K169 PolarHBondContact N-O 2.85Å; T86-K169 PolarHBondContact O-N 3.23Å; E167-K169 PolarHBondContact O-N 3.2Å
170I98.4Very high97.5Very high25 Ų2560.3 Ų60.313%0.12830%0.299CS..EExtended strand (participates in β ladder)trans-74.2128.6167.6-56.3-51.6000108.8I83 C85 A145 F168 M173I83-I170 HydrophobicContact CG2-CD1 3.73Å; I83-I170 HydrophobicContact CG2-CG2 3.97Å; C85-I170 HydrophobicContact CB-CD1 3.7Å; A145-I170 HydrophobicContact CB-CD1 4.45Å; F168-I170 HydrophobicContact CE1-CD1 3.93Å; F168-I170 HydrophobicContact CZ-CD1 3.71Å; I170-M173 HydrophobicContact CG1-CE 4.28Å; I170-M173 HydrophobicContact CG2-CE 3.9Å; I170-M173 HydrophobicContact CG2-CG 3.84Å
171Q98.1Very high97.5Very high58 Ų5858 Ų5827%0.27127%0.269SS..EExtended strand (participates in β ladder)trans-101.9-37.4-179.8-64.4-62.4-17.700112.1V84 T86V84-Q171 HydrophobicContact CG1-CB 4.44Å; V84-Q171 PolarHBondContact O-N 2.73Å; T86-Q171 HydrophobicContact CG2-CG 3.56Å; T86-Q171 PolarHBondContact OG1-NE2 3.38Å
172N98.1Very high97.5Very high38 Ų3861.4 Ų61.420%0.20329%0.285CS..EExtended strand (participates in β ladder)trans-155145.1178.2-171.430.9000110.8V84 T228 G229 A230V84-N172 HydrophobicContact CB-CB 4.24Å; V84-N172 HydrophobicContact CG2-CB 4.47Å; V84-N172 PolarHBondContact N-O 3.13Å; V84-N172 PolarHBondContact O-N 2.83Å; N172-T228 PolarHBondContact ND2-OG1 3.23Å; N172-T228 VanDerWaalsContact ND2-OG1 3.11Å; N172-G229 VanDerWaalsContact OD1-CA 3.23Å; N172-G229 WeakPolarHBondContact OD1-CA 3.49Å; N172-G229 PolarHBondContact OD1-N 3.22Å; N172-A230 CarbonylContact C-O 3.57Å; N172-A230 VanDerWaalsContact CA-O 3.3Å; N172-A230 WeakPolarHBondContact CA-O 3.46Å
173M98.4Very high97.5Very high4 Ų453.8 Ų53.82%0.0225%0.25CC..EExtended strand (participates in β ladder)trans-121.8139.8168.2-62-173174.700108.8L80 I83 E142 I170 A230 K231 R233 I236L80-M173 HydrophobicContact CD2-CB 4.18Å; L80-M173 HydrophobicContact CD2-SD 4.37Å; I83-M173 HydrophobicContact CD1-CE 4.24Å; I83-M173 HydrophobicContact CD1-CG 4.4Å; I83-M173 HydrophobicContact CG1-CG 4.19Å; I83-M173 HydrophobicContact CG2-CG 4.4Å; E142-M173 HydrophobicContact CG-CE 3.4Å; I170-M173 HydrophobicContact CG1-CE 4.28Å; I170-M173 HydrophobicContact CG2-CE 3.9Å; I170-M173 HydrophobicContact CG2-CG 3.84Å; M173-A230 HydrophobicContact CB-CB 4.26Å; M173-A230 PolarHBondContact N-O 3.4Å; M173-K231 WeakPolarHBondContact CE-O 3.36Å; M173-R233 HydrophobicContact SD-CB 4.29Å; M173-I236 HydrophobicContact CB-CD1 3.81Å
174V98.2Very high97.5Very high26 Ų2659 Ų5916%0.15827%0.269CS..EExtended strand (participates in β ladder)trans-117.2119.4176-175.50000108.2Q81 N82 V226 L227Q81-V174 PolarHBondContact N-O 3.5Å; N82-V174 HydrophobicContact CB-CB 4.12Å; N82-V174 HydrophobicContact CB-CG2 4.28Å; N82-V174 PolarHBondContact N-O 2.86Å; N82-V174 PolarHBondContact O-N 2.96Å; V174-V226 HydrophobicContact CG1-CG1 3.88Å; V174-L227 CarbonylContact C-O 3.57Å; V174-L227 VanDerWaalsContact CA-O 3.31Å; V174-L227 WeakPolarHBondContact CA-O 2.91Å
175G98.3Very high97.5Very high0 Ų054.7 Ų54.70%025%0.249CC..EExtended strand (participates in β ladder)trans-106157.7172.400000111.3Q79 V226 L227Q79-G175 CarbonylContact O-C 3.56Å; Q79-G175 VanDerWaalsContact O-CA 3.31Å; Q79-G175 WeakPolarHBondContact O-CA 3.28Å; G175-V226 CarbonylContact O-C 3.57Å; G175-V226 WeakPolarHBondContact O-CA 3.33Å; G175-L227 PolarHBondContact N-O 3.49Å; G175-L227 PolarHBondContact O-N 3.49Å
176S98Very high97.4Very high33 Ų3355.9 Ų55.923%0.23126%0.256CS..EExtended strand (participates in β ladder)trans-138.6149.2167.867.60000110.9P78 Q79 Q81 I225P78-S176 WeakPolarHBondContact CA-O 3.33Å; Q79-S176 PolarHBondContact N-O 3.31Å; Q79-S176 PolarHBondContact O-N 2.94Å; Q81-S176 WeakPolarHBondContact CG-OG 3.5Å; Q81-S176 PolarHBondContact NE2-OG 3.32Å; S176-I225 CarbonylContact C-O 3.57Å; S176-I225 WeakPolarHBondContact CA-O 3.35Å
177C97.5Very high97.3Very high13 Ų1351.9 Ų51.99%0.08824%0.243CC..EExtended strand (participates in β ladder)trans-143.1157.2176.1-161.30000109.7P76 P78 I225 F240P76-C177 VanDerWaalsContact CB-SG 3.51Å; P78-C177 HydrophobicContact CB-CB 4.18Å; P78-C177 HydrophobicContact CG-CB 4.14Å; C177-I225 PolarHBondContact N-O 2.92Å; C177-I225 PolarHBondContact O-N 2.89Å; C177-F240 HydrophobicContact CB-CD2 4.01Å; C177-F240 HydrophobicContact CB-CE2 3.51Å; C177-F240 HydrophobicContact CB-CZ 4.11Å; C177-F240 VanDerWaalsContact SG-CE2 3.54Å; C177-F240 WeakPolarHBondContact SG-CZ 3.44Å
178D97.3Very high97.2Very high67 Ų6744.8 Ų44.836%0.35821%0.21SC..EExtended strand (participates in β ladder)trans-121.1118.1170-171.5-13.4000108R180D178-R180 PolarHBondContact O-N 2.84Å; D178-R180 WeakPolarHBondContact OD1-CA 3.36Å; D178-R180 PolarHBondContact OD1-N 3.35Å
179V96.2Very high97.2Very high5 Ų544 Ų443%0.0321%0.209CC..  trans-77.9-8.7178.5-56.80000113F181 I183 G223 I225 F240 Y244 L247V179-F181 VanDerWaalsContact C-N 3.27Å; V179-F181 HydrophobicContact CB-CD1 4.11Å; V179-F181 HydrophobicContact CB-CE1 3.65Å; V179-F181 HydrophobicContact CB-CZ 3.87Å; V179-F181 HydrophobicContact CG2-CD1 3.94Å; V179-F181 HydrophobicContact CG2-CD2 3.99Å; V179-F181 HydrophobicContact CG2-CE1 3.72Å; V179-F181 HydrophobicContact CG2-CE2 3.77Å; V179-F181 HydrophobicContact CG2-CG 4.08Å; V179-F181 HydrophobicContact CG2-CZ 3.62Å; V179-F181 WeakPolarHBondContact O-CD1 3.43Å; V179-F181 WeakPolarHBondContact O-CE1 3.44Å; V179-F181 PolarHBondContact O-N 2.66Å; V179-I183 HydrophobicContact CG2-CD1 3.96Å; V179-I183 HydrophobicContact CG2-CG1 4.36Å; V179-G223 WeakPolarHBondContact CG2-O 3.48Å; V179-G223 PolarHBondContact N-O 3.05Å; V179-I225 HydrophobicContact CG1-CD1 3.5Å; V179-I225 VanDerWaalsContact CG1-CD1 3.5Å; V179-I225 HydrophobicContact CG1-CG1 4.46Å; V179-F240 HydrophobicContact CG1-CE2 4.12Å; V179-F240 HydrophobicContact CG1-CZ 4Å; V179-Y244 HydrophobicContact CB-CE2 4.18Å; V179-Y244 HydrophobicContact CG1-CD2 3.93Å; V179-Y244 HydrophobicContact CG1-CE2 4.01Å; V179-L247 HydrophobicContact CG1-CD1 4.4Å
180R94.7Very high97.1Very high167 Ų16745.8 Ų45.863%0.6322%0.224SC*.SBendtrans63.526.7175.6-47.3178.7-168.9161.10.4114.5Q69 D178Q69-R180 PolarHBondContact O-NH1 3.22Å; D178-R180 PolarHBondContact O-N 2.84Å; D178-R180 WeakPolarHBondContact OD1-CA 3.36Å; D178-R180 PolarHBondContact OD1-N 3.35Å
181F95.1Very high96.9Very high21 Ų2147.8 Ų47.89%0.09224%0.24CC..SBendtrans-149.3151.1169.457.5-98.6000110.9V179 I183 G223 Y244 L247 K251V179-F181 VanDerWaalsContact C-N 3.27Å; V179-F181 HydrophobicContact CB-CD1 4.11Å; V179-F181 HydrophobicContact CB-CE1 3.65Å; V179-F181 HydrophobicContact CB-CZ 3.87Å; V179-F181 HydrophobicContact CG2-CD1 3.94Å; V179-F181 HydrophobicContact CG2-CD2 3.99Å; V179-F181 HydrophobicContact CG2-CE1 3.72Å; V179-F181 HydrophobicContact CG2-CE2 3.77Å; V179-F181 HydrophobicContact CG2-CG 4.08Å; V179-F181 HydrophobicContact CG2-CZ 3.62Å; V179-F181 WeakPolarHBondContact O-CD1 3.43Å; V179-F181 WeakPolarHBondContact O-CE1 3.44Å; V179-F181 PolarHBondContact O-N 2.66Å; F181-I183 HydrophobicContact CD2-CG1 4.13Å; F181-I183 HydrophobicContact CE2-CG1 3.97Å; F181-G223 VanDerWaalsContact O-CA 3.28Å; F181-G223 WeakPolarHBondContact O-CA 3.3Å; F181-Y244 HydrophobicContact CE1-CE2 4.26Å; F181-L247 HydrophobicContact CZ-CB 4.45Å; F181-K251 HydrophobicContact CB-CD 3.93Å; F181-K251 HydrophobicContact CB-CG 4.01Å; F181-K251 HydrophobicContact CD1-CD 4.46Å; F181-K251 HydrophobicContact CD2-CB 3.8Å; F181-K251 HydrophobicContact CD2-CD 4.16Å; F181-K251 HydrophobicContact CD2-CG 3.76Å; F181-K251 HydrophobicContact CE2-CB 4.07Å; F181-K251 HydrophobicContact CE2-CG 4.49Å; F181-K251 HydrophobicContact CG-CB 4.45Å; F181-K251 HydrophobicContact CG-CD 3.94Å; F181-K251 HydrophobicContact CG-CG 4Å
182H96.9Very high96.8Very high103 Ų10347.1 Ų47.148%0.47724%0.237SC..  trans-72.7140.7177.7-64.193.8000111.5V221 K251 K252H182-V221 CarbonylContact C-O 3.56Å; H182-V221 WeakPolarHBondContact CA-O 3.45Å; H182-K251 WeakPolarHBondContact O-CA 3.2Å; H182-K252 HydrophobicContact CB-CB 4.13Å; H182-K252 HydrophobicContact CB-CD 4.08Å; H182-K252 HydrophobicContact CB-CG 4.28Å; H182-K252 PolarHBondContact O-N 2.94Å
183I97.3Very high96.6Very high0 Ų047.6 Ų47.60%025%0.251CS..BIsolated β-bridgetrans-113.2133.2-175.8-52.7170.2000109.5V179 F181 L185 L188 V219 V221 L247 F250 K252V179-I183 HydrophobicContact CG2-CD1 3.96Å; V179-I183 HydrophobicContact CG2-CG1 4.36Å; F181-I183 HydrophobicContact CD2-CG1 4.13Å; F181-I183 HydrophobicContact CE2-CG1 3.97Å; I183-L185 HydrophobicContact CB-CD2 4.2Å; I183-L185 HydrophobicContact CG2-CD2 3.9Å; I183-L185 PolarHBondContact O-N 3.24Å; I183-L188 HydrophobicContact CG2-CD2 4.5Å; I183-V219 HydrophobicContact CD1-CG1 3.53Å; I183-V221 PolarHBondContact N-O 3.03Å; I183-L247 HydrophobicContact CD1-CB 4.34Å; I183-L247 HydrophobicContact CD1-CD1 4.17Å; I183-L247 HydrophobicContact CD1-CD2 4.28Å; I183-L247 HydrophobicContact CD1-CG 4.49Å; I183-F250 HydrophobicContact CG2-CB 4.08Å; I183-K252 WeakPolarHBondContact O-CE 3.41Å
184R97.2Very high96.5Very high109 Ų10955.6 Ų55.641%0.41129%0.288SS..  trans-81.589.3171.4-172.6-176.3-68.5176.3-1.8109.8E186 G187 L188 F250 K252R184-E186 VanDerWaalsContact C-N 3.29Å; R184-E186 PolarHBondContact O-N 2.78Å; R184-G187 PolarHBondContact O-N 3.21Å; R184-L188 PolarHBondContact O-N 3.16Å; R184-F250 PolarHBondContact N-O 3.2Å; R184-K252 HydrophobicContact CB-CG 4.05Å
185L97.2Very high96.4Very high0 Ų057.2 Ų57.20%029%0.293CS..Hα-helixtrans-65.1-31.1-175.6-61.3-174.7000113I183 G187 L188 V189 Y198 L206 V219 V221I183-L185 HydrophobicContact CB-CD2 4.2Å; I183-L185 HydrophobicContact CG2-CD2 3.9Å; I183-L185 PolarHBondContact O-N 3.24Å; L185-G187 PolarHBondContact O-N 3.03Å; L185-L188 HydrophobicContact CD2-CD2 4.4Å; L185-L188 PolarHBondContact O-N 3.08Å; L185-V189 PolarHBondContact O-N 3.24Å; L185-Y198 HydrophobicContact CB-CD1 3.98Å; L185-Y198 HydrophobicContact CB-CD2 4.4Å; L185-Y198 HydrophobicContact CB-CE1 3.78Å; L185-Y198 HydrophobicContact CB-CE2 4.22Å; L185-Y198 HydrophobicContact CB-CG 4.28Å; L185-Y198 HydrophobicContact CD1-CD2 4.07Å; L185-Y198 HydrophobicContact CD1-CE2 3.58Å; L185-L206 HydrophobicContact CB-CD1 4.36Å; L185-L206 HydrophobicContact CD1-CB 4.08Å; L185-L206 HydrophobicContact CD2-CB 4.02Å; L185-L206 HydrophobicContact CD2-CD1 4.39Å; L185-L206 HydrophobicContact CG-CB 4.43Å; L185-V219 HydrophobicContact CD2-CB 4.34Å; L185-V219 HydrophobicContact CD2-CG1 3.87Å; L185-V221 HydrophobicContact CD1-CG2 3.59Å; L185-V221 HydrophobicContact CG-CG2 3.9Å
186E96Very high96.3Very high89 Ų8957.4 Ų57.442%0.41630%0.295SS..Hα-helixtrans-62.5-43.7177.4-57.476.6-168.400110.9R184 L188 V189 L190 Y198R184-E186 VanDerWaalsContact C-N 3.29Å; R184-E186 PolarHBondContact O-N 2.78Å; E186-L188 VanDerWaalsContact C-N 3.35Å; E186-V189 VanDerWaalsContact O-CG1 3.3Å; E186-V189 WeakPolarHBondContact O-CG1 3.37Å; E186-L190 WeakPolarHBondContact O-CD1 3.32Å; E186-L190 WeakPolarHBondContact O-CG 3.46Å; E186-L190 PolarHBondContact O-N 2.9Å; E186-Y198 HydrophobicContact CG-CE1 4.24Å
187G95.6Very high96.3Very high18 Ų1859.2 Ų59.219%0.18631%0.305CS..Hα-helixtrans-67.5-37.7174.800000112.2R184 L185 L190 S191 F250R184-G187 PolarHBondContact O-N 3.21Å; L185-G187 PolarHBondContact O-N 3.03Å; G187-L190 PolarHBondContact O-N 2.8Å; G187-S191 PolarHBondContact O-N 2.92Å; G187-F250 VanDerWaalsContact O-CE1 3.23Å; G187-F250 WeakPolarHBondContact O-CE1 3.41Å
188L96.5Very high96.4Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-65.7-45.7-179.8179.558.6000111.9I183 R184 L185 E186 S191 Q192 L206 I246 L247 F250I183-L188 HydrophobicContact CG2-CD2 4.5Å; R184-L188 PolarHBondContact O-N 3.16Å; L185-L188 HydrophobicContact CD2-CD2 4.4Å; L185-L188 PolarHBondContact O-N 3.08Å; E186-L188 VanDerWaalsContact C-N 3.35Å; L188-S191 PolarHBondContact O-N 2.81Å; L188-Q192 HydrophobicContact CD1-CB 4.34Å; L188-Q192 HydrophobicContact CD1-CG 3.74Å; L188-Q192 WeakPolarHBondContact O-CB 3.22Å; L188-Q192 PolarHBondContact O-N 2.78Å; L188-L206 HydrophobicContact CB-CD1 4.14Å; L188-L206 HydrophobicContact CD2-CD1 3.9Å; L188-L206 HydrophobicContact CD2-CD2 4.24Å; L188-L206 HydrophobicContact CG-CD1 3.9Å; L188-I246 HydrophobicContact CD1-CG2 3.7Å; L188-L247 HydrophobicContact CD2-CD2 3.58Å; L188-F250 HydrophobicContact CB-CD1 4.39Å; L188-F250 HydrophobicContact CB-CD2 4.11Å; L188-F250 HydrophobicContact CB-CE2 4.45Å; L188-F250 HydrophobicContact CB-CG 4.1Å; L188-F250 HydrophobicContact CD1-CD2 3.65Å; L188-F250 HydrophobicContact CD1-CE2 3.65Å; L188-F250 HydrophobicContact CD1-CG 4.48Å; L188-F250 HydrophobicContact CD1-CZ 4.47Å; L188-F250 HydrophobicContact CG-CD2 4.43Å
189V97.2Very high96.3Very high33 Ų3362.2 Ų62.220%0.231%0.314CS..Hα-helixtrans-66.6-37.317867.70000112L185 E186 S191 G193 A196 Y198 L206L185-V189 PolarHBondContact O-N 3.24Å; E186-V189 VanDerWaalsContact O-CG1 3.3Å; E186-V189 WeakPolarHBondContact O-CG1 3.37Å; V189-S191 VanDerWaalsContact C-N 3.32Å; V189-S191 PolarHBondContact O-N 2.82Å; V189-G193 WeakPolarHBondContact O-CA 3.3Å; V189-G193 PolarHBondContact O-N 3.19Å; V189-A196 HydrophobicContact CB-CB 4.47Å; V189-A196 HydrophobicContact CG2-CB 4.28Å; V189-Y198 HydrophobicContact CG1-CD1 4.44Å; V189-L206 HydrophobicContact CB-CD1 4.03Å
190L96.5Very high96.3Very high152 Ų15265 Ų6580%0.79633%0.332SS*.Hα-helixtrans-63.3-38.2175.3-71171.2000112.1E186 G187E186-L190 WeakPolarHBondContact O-CD1 3.32Å; E186-L190 WeakPolarHBondContact O-CG 3.46Å; E186-L190 PolarHBondContact O-N 2.9Å; G187-L190 PolarHBondContact O-N 2.8Å
191S95.6Very high96.4Very high68 Ų6865.5 Ų65.548%0.47634%0.342SS..Hα-helixtrans-79.5-35.6178.6171.50000113.8G187 L188 V189 F250G187-S191 PolarHBondContact O-N 2.92Å; L188-S191 PolarHBondContact O-N 2.81Å; V189-S191 VanDerWaalsContact C-N 3.32Å; V189-S191 PolarHBondContact O-N 2.82Å; S191-F250 VanDerWaalsContact CB-CZ 3.49Å
192Q94.9Very high96.5Very high44 Ų4471.6 Ų71.621%0.20637%0.374CS..Hα-helixtrans-11524.9-170.8-60.3-64.1-53.800112.4L188 Q194 F195 A196 Y208 I246L188-Q192 HydrophobicContact CD1-CB 4.34Å; L188-Q192 HydrophobicContact CD1-CG 3.74Å; L188-Q192 WeakPolarHBondContact O-CB 3.22Å; L188-Q192 PolarHBondContact O-N 2.78Å; Q192-Q194 PolarHBondContact O-N 2.85Å; Q192-F195 PolarHBondContact O-N 3.42Å; Q192-A196 HydrophobicContact CB-CB 4.12Å; Q192-A196 WeakPolarHBondContact O-CB 3.47Å; Q192-A196 PolarHBondContact O-N 2.85Å; Q192-Y208 HydrophobicContact CB-CE2 4.05Å; Q192-Y208 HydrophobicContact CG-CE2 4.31Å; Q192-I246 HydrophobicContact CG-CG2 4.13Å
193G93.7Very high96.4Very high48 Ų4870.2 Ų70.250%0.49537%0.367SS..THydrogen-bonded Turntrans-57.1-21.9-168.700000115.8V189 F195V189-G193 WeakPolarHBondContact O-CA 3.3Å; V189-G193 PolarHBondContact O-N 3.19Å; G193-F195 VanDerWaalsContact C-N 3.29Å; G193-F195 PolarHBondContact O-N 3.22Å
194Q95.5Very high96.4Very high171 Ų17174.2 Ų74.280%0.79939%0.393SS*.THydrogen-bonded Turntrans-66.4-30.4172.4-172.8176.917.100113Q192Q192-Q194 PolarHBondContact O-N 2.85Å
195F96.6Very high96.4Very high60 Ų6069.1 Ų69.126%0.26337%0.374SS..THydrogen-bonded Turntrans-112.7-19.3-176.7-53.6-65.2000112.7Q192 G193 Y208 R209 T211Q192-F195 PolarHBondContact O-N 3.42Å; G193-F195 VanDerWaalsContact C-N 3.29Å; G193-F195 PolarHBondContact O-N 3.22Å; F195-Y208 HydrophobicContact CB-CD2 4.32Å; F195-Y208 HydrophobicContact CB-CE1 4.21Å; F195-Y208 HydrophobicContact CB-CE2 3.86Å; F195-Y208 CarbonylContact O-C 3.56Å; F195-Y208 WeakPolarHBondContact O-CA 3.47Å; F195-R209 PolarHBondContact O-N 3.27Å; F195-T211 HydrophobicContact CD1-CG2 4.48Å; F195-T211 HydrophobicContact CE1-CG2 4.11Å
196A97.8Very high96.5Very high4 Ų469.1 Ų69.13%0.03337%0.374CS..EExtended strand (participates in β ladder)trans-110.1137.9-172.900000112.2V189 Q192 L206 I207 Y208V189-A196 HydrophobicContact CB-CB 4.47Å; V189-A196 HydrophobicContact CG2-CB 4.28Å; Q192-A196 HydrophobicContact CB-CB 4.12Å; Q192-A196 WeakPolarHBondContact O-CB 3.47Å; Q192-A196 PolarHBondContact O-N 2.85Å; A196-L206 HydrophobicContact CB-CD1 4.1Å; A196-L206 HydrophobicContact CB-CD2 3.93Å; A196-L206 HydrophobicContact CB-CG 4.22Å; A196-I207 CarbonylContact C-O 3.48Å; A196-I207 WeakPolarHBondContact CA-O 3.42Å; A196-Y208 HydrophobicContact CB-CD2 4.2Å
197T97.8Very high96.6Very high72 Ų7267 Ų6744%0.44237%0.366SS..EExtended strand (participates in β ladder)trans-128.5130.4169.2-50.70000108.7I207T197-I207 PolarHBondContact N-O 3.16Å; T197-I207 PolarHBondContact O-N 2.93Å
198Y98Very high96.7Very high30 Ų3066.9 Ų66.912%0.11836%0.36CS..  trans-143.6110.6179.8178.6-124.2000110.2L185 E186 V189 P200 L206L185-Y198 HydrophobicContact CB-CD1 3.98Å; L185-Y198 HydrophobicContact CB-CD2 4.4Å; L185-Y198 HydrophobicContact CB-CE1 3.78Å; L185-Y198 HydrophobicContact CB-CE2 4.22Å; L185-Y198 HydrophobicContact CB-CG 4.28Å; L185-Y198 HydrophobicContact CD1-CD2 4.07Å; L185-Y198 HydrophobicContact CD1-CE2 3.58Å; E186-Y198 HydrophobicContact CG-CE1 4.24Å; V189-Y198 HydrophobicContact CG1-CD1 4.44Å; Y198-P200 HydrophobicContact CE1-CB 4.47Å; Y198-P200 HydrophobicContact CE1-CG 4.2Å; Y198-P200 HydrophobicContact CE2-CB 4.11Å; Y198-L206 HydrophobicContact CD2-CB 4.06Å; Y198-L206 HydrophobicContact CG-CB 4.31Å
199E96.4Very high96.8Very high113 Ų11373.6 Ų73.653%0.52839%0.385SS..  trans-130.785.4-179.9-66.8-62.9161.200107.2E201 L202 F203E199-E201 PolarHBondContact O-N 2.88Å; E199-E201 VanDerWaalsContact O-N 3.14Å; E199-L202 HydrophobicContact CB-CB 4.13Å; E199-L202 HydrophobicContact CB-CD1 3.99Å; E199-L202 HydrophobicContact CB-CG 4.17Å; E199-L202 HydrophobicContact CG-CD1 4.4Å; E199-L202 PolarHBondContact O-N 2.77Å; E199-F203 PolarHBondContact O-N 2.95Å
200P95.6Very high96.8Very high62 Ų6272.9 Ų72.940%0.40338%0.38SS..THydrogen-bonded Turntrans-60.3-27.5-168.520.9-32.1000113.9Y198 L202Y198-P200 HydrophobicContact CE1-CB 4.47Å; Y198-P200 HydrophobicContact CE1-CG 4.2Å; Y198-P200 HydrophobicContact CE2-CB 4.11Å; P200-L202 VanDerWaalsContact C-N 3.28Å; P200-L202 PolarHBondContact O-N 2.85Å
201E96.7Very high96.7Very high179 Ų17970.3 Ų70.384%0.83637%0.371SS*.THydrogen-bonded Turntrans-68.8-25.5175-57.5-54.2137.700112.8E199E199-E201 PolarHBondContact O-N 2.88Å; E199-E201 VanDerWaalsContact O-N 3.14Å
202L96.7Very high96.7Very high149 Ų14975 Ų7578%0.7838%0.383SS*.THydrogen-bonded Turntrans-95.7-41.3177.6-61.9-179.1000112E199 P200E199-L202 HydrophobicContact CB-CB 4.13Å; E199-L202 HydrophobicContact CB-CD1 3.99Å; E199-L202 HydrophobicContact CB-CG 4.17Å; E199-L202 HydrophobicContact CG-CD1 4.4Å; E199-L202 PolarHBondContact O-N 2.77Å; P200-L202 VanDerWaalsContact C-N 3.28Å; P200-L202 PolarHBondContact O-N 2.85Å
203F96.3Very high96.8Very high73 Ų7373.6 Ų73.632%0.3238%0.377SS..  trans-155.5129-178.4-178.7-114.9000111E199 G205 I207 L218 F220E199-F203 PolarHBondContact O-N 2.95Å; F203-G205 WeakPolarHBondContact CD1-O 3.42Å; F203-G205 PolarHBondContact O-N 2.92Å; F203-G205 VanDerWaalsContact O-N 3.11Å; F203-I207 HydrophobicContact CD1-CG1 4.3Å; F203-I207 HydrophobicContact CE1-CG1 4.5Å; F203-L218 HydrophobicContact CE1-CD2 4.26Å; F203-L218 HydrophobicContact CZ-CD1 4.25Å; F203-F220 HydrophobicContact CZ-CE1 4.13Å; F203-F220 AromaticContact CZ-CZ 3.97Å; F203-F220 HydrophobicContact CZ-CZ 3.97Å
204P96.6Very high96.9Very high84 Ų8480 Ų8055%0.54539%0.391SS..SBendtrans-72-7.3-172.128.3-37.8000115.2
205G97.6Very high97Very high2 Ų271.9 Ų71.92%0.02135%0.353CS..SBendtrans-106.3149.8178.500000112.1F203 V219F203-G205 WeakPolarHBondContact CD1-O 3.42Å; F203-G205 PolarHBondContact O-N 2.92Å; F203-G205 VanDerWaalsContact O-N 3.11Å; G205-V219 CarbonylContact C-O 3.5Å; G205-V219 WeakPolarHBondContact CA-O 3.37Å
206L98.3Very high97.1Very high0 Ų071 Ų710%035%0.353CS..EExtended strand (participates in β ladder)trans-77.9132.3168.3179.3151.7000109.5L185 L188 V189 A196 Y198 Y208 L218 V219L185-L206 HydrophobicContact CB-CD1 4.36Å; L185-L206 HydrophobicContact CD1-CB 4.08Å; L185-L206 HydrophobicContact CD2-CB 4.02Å; L185-L206 HydrophobicContact CD2-CD1 4.39Å; L185-L206 HydrophobicContact CG-CB 4.43Å; L188-L206 HydrophobicContact CB-CD1 4.14Å; L188-L206 HydrophobicContact CD2-CD1 3.9Å; L188-L206 HydrophobicContact CD2-CD2 4.24Å; L188-L206 HydrophobicContact CG-CD1 3.9Å; V189-L206 HydrophobicContact CB-CD1 4.03Å; A196-L206 HydrophobicContact CB-CD1 4.1Å; A196-L206 HydrophobicContact CB-CD2 3.93Å; A196-L206 HydrophobicContact CB-CG 4.22Å; Y198-L206 HydrophobicContact CD2-CB 4.06Å; Y198-L206 HydrophobicContact CG-CB 4.31Å; L206-Y208 HydrophobicContact CD2-CD2 4.45Å; L206-L218 CarbonylContact O-C 3.49Å; L206-L218 WeakPolarHBondContact O-CA 3.36Å; L206-V219 HydrophobicContact CB-CB 4.43Å; L206-V219 HydrophobicContact CD2-CB 4.49Å; L206-V219 HydrophobicContact CD2-CG2 4.48Å; L206-V219 PolarHBondContact N-O 3.26Å; L206-V219 PolarHBondContact O-N 2.93Å
207I98.4Very high97.1Very high46 Ų4670.9 Ų70.924%0.23635%0.351CS..EExtended strand (participates in β ladder)trans-94.9111.1174.2-56.1175.4000107.9A196 T197 F203 R209 V216 L218A196-I207 CarbonylContact C-O 3.48Å; A196-I207 WeakPolarHBondContact CA-O 3.42Å; T197-I207 PolarHBondContact N-O 3.16Å; T197-I207 PolarHBondContact O-N 2.93Å; F203-I207 HydrophobicContact CD1-CG1 4.3Å; F203-I207 HydrophobicContact CE1-CG1 4.5Å; I207-R209 HydrophobicContact CG2-CG 4.33Å; I207-V216 HydrophobicContact CG2-CG1 3.87Å; I207-L218 HydrophobicContact CB-CD2 4.49Å; I207-L218 HydrophobicContact CG1-CD2 3.95Å; I207-L218 HydrophobicContact CG2-CD2 4.44Å
208Y98.4Very high97.2Very high15 Ų1569.2 Ų69.26%0.05934%0.339CS..EExtended strand (participates in β ladder)trans-105123.1175.2-169.5-81000110.2Q192 F195 A196 L206 M210 V216 L217 I243Q192-Y208 HydrophobicContact CB-CE2 4.05Å; Q192-Y208 HydrophobicContact CG-CE2 4.31Å; F195-Y208 HydrophobicContact CB-CD2 4.32Å; F195-Y208 HydrophobicContact CB-CE1 4.21Å; F195-Y208 HydrophobicContact CB-CE2 3.86Å; F195-Y208 CarbonylContact O-C 3.56Å; F195-Y208 WeakPolarHBondContact O-CA 3.47Å; A196-Y208 HydrophobicContact CB-CD2 4.2Å; L206-Y208 HydrophobicContact CD2-CD2 4.45Å; Y208-M210 HydrophobicContact CD1-CB 4.32Å; Y208-M210 HydrophobicContact CE1-CB 4.09Å; Y208-M210 HydrophobicContact CE1-CE 4.05Å; Y208-V216 CarbonylContact O-C 3.35Å; Y208-V216 WeakPolarHBondContact O-CA 3.44Å; Y208-L217 HydrophobicContact CD1-CD1 3.91Å; Y208-L217 PolarHBondContact N-O 3.47Å; Y208-L217 PolarHBondContact O-N 3.49Å; Y208-I243 HydrophobicContact CD1-CD1 3.97Å; Y208-I243 HydrophobicContact CD2-CD1 3.81Å; Y208-I243 HydrophobicContact CE1-CD1 3.73Å; Y208-I243 HydrophobicContact CE2-CD1 3.56Å; Y208-I243 HydrophobicContact CG-CD1 4Å
209R98Very high97.2Very high141 Ų14167.8 Ų67.853%0.53233%0.334SS..EExtended strand (participates in β ladder)trans-105.797.2-178.9-61.5-178.9-175.6-83.81.2109.5F195 I207F195-R209 PolarHBondContact O-N 3.27Å; I207-R209 HydrophobicContact CG2-CG 4.33Å
210M97.5Very high97.3Very high17 Ų1764.9 Ų64.98%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-78.4136.8175-169.1171.1-70.800110.3Y208 K212 P213 K214 I215 L217 A239 N242 I243Y208-M210 HydrophobicContact CD1-CB 4.32Å; Y208-M210 HydrophobicContact CE1-CB 4.09Å; Y208-M210 HydrophobicContact CE1-CE 4.05Å; M210-K212 WeakPolarHBondContact CG-O 3.47Å; M210-P213 CarbonylContact C-O 3.6Å; M210-P213 WeakPolarHBondContact CG-O 3.37Å; M210-K214 WeakPolarHBondContact O-CA 3.48Å; M210-I215 WeakPolarHBondContact CB-O 3.37Å; M210-I215 PolarHBondContact N-O 3.35Å; M210-I215 PolarHBondContact O-N 2.97Å; M210-L217 HydrophobicContact CB-CD1 4.07Å; M210-L217 HydrophobicContact CE-CD1 4.25Å; M210-A239 HydrophobicContact CE-CB 4.41Å; M210-A239 WeakPolarHBondContact CE-O 3.49Å; M210-A239 HydrophobicContact SD-CB 3.8Å; M210-N242 HydrophobicContact CE-CB 3.67Å; M210-N242 HydrophobicContact SD-CB 4.09Å; M210-I243 HydrophobicContact CE-CB 4.26Å
211T95.4Very high97.4Very high99 Ų9964 Ų6461%0.60731%0.313SS*.THydrogen-bonded Turntrans-88.8-34.9179.853.10000112.6F195 P213 K214F195-T211 HydrophobicContact CD1-CG2 4.48Å; F195-T211 HydrophobicContact CE1-CG2 4.11Å; T211-P213 CarbonylContact C-O 3.55Å; T211-P213 CarbonylContact O-C 3.46Å; T211-K214 PolarHBondContact O-N 3.08Å
212K94.3Very high97.4Very high167 Ų16758 Ų5873%0.72629%0.291SS*.THydrogen-bonded Turntrans-135.9111.4179.1-67.4-174.1179.7-179.90110.7M210M210-K212 WeakPolarHBondContact CG-O 3.47Å
213P96.4Very high97.4Very high13 Ų1350.9 Ų50.98%0.08425%0.254CS..THydrogen-bonded Turncis-63161.2-14.429.2-34.7000111.1M210 T211 I215 E235 E238 A239M210-P213 CarbonylContact C-O 3.6Å; M210-P213 WeakPolarHBondContact CG-O 3.37Å; T211-P213 CarbonylContact C-O 3.55Å; T211-P213 CarbonylContact O-C 3.46Å; P213-I215 VanDerWaalsContact C-N 3.33Å; P213-I215 HydrophobicContact CB-CG1 4.04Å; P213-I215 HydrophobicContact CG-CG1 3.81Å; P213-I215 PolarHBondContact O-N 2.91Å; P213-E235 HydrophobicContact CB-CB 4.08Å; P213-E235 HydrophobicContact CB-CG 4.22Å; P213-E235 HydrophobicContact CG-CB 4.19Å; P213-E235 WeakPolarHBondContact CG-O 3.3Å; P213-E238 HydrophobicContact CG-CB 4.36Å; P213-E238 HydrophobicContact CG-CG 4.47Å; P213-A239 HydrophobicContact CG-CB 4.03Å
214K97.1Very high97.5Very high182 Ų18253.2 Ų53.279%0.79126%0.264SS*.THydrogen-bonded Turntrans-74.684.5-179.2-173.3177.7179.5173.80110.6M210 T211M210-K214 WeakPolarHBondContact O-CA 3.48Å; T211-K214 PolarHBondContact O-N 3.08Å
215I97.9Very high97.6Very high2 Ų249.3 Ų49.31%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-129.1144.8-173.1-60.8-61.7000110.2M210 P213 L217 L227 A230 E235 A239M210-I215 WeakPolarHBondContact CB-O 3.37Å; M210-I215 PolarHBondContact N-O 3.35Å; M210-I215 PolarHBondContact O-N 2.97Å; P213-I215 VanDerWaalsContact C-N 3.33Å; P213-I215 HydrophobicContact CB-CG1 4.04Å; P213-I215 HydrophobicContact CG-CG1 3.81Å; P213-I215 PolarHBondContact O-N 2.91Å; I215-L217 HydrophobicContact CG2-CD1 4.04Å; I215-L217 HydrophobicContact CG2-CG 4.29Å; I215-L227 HydrophobicContact CG2-CB 4.32Å; I215-A230 HydrophobicContact CD1-CB 3.51Å; I215-E235 HydrophobicContact CD1-CB 4.33Å; I215-A239 HydrophobicContact CB-CB 4.04Å; I215-A239 HydrophobicContact CG1-CB 4.02Å; I215-A239 HydrophobicContact CG2-CB 3.99Å
216V98.3Very high97.6Very high42 Ų4251.1 Ų51.126%0.25525%0.249SC..EExtended strand (participates in β ladder)trans-105.1128.2169.8-178.10000108.6I207 Y208 L218 T228I207-V216 HydrophobicContact CG2-CG1 3.87Å; Y208-V216 CarbonylContact O-C 3.35Å; Y208-V216 WeakPolarHBondContact O-CA 3.44Å; V216-L218 HydrophobicContact CG1-CD2 4.46Å; V216-T228 HydrophobicContact CB-CG2 4.24Å; V216-T228 PolarHBondContact N-O 2.99Å; V216-T228 PolarHBondContact O-N 2.94Å
217L98.3Very high97.6Very high0 Ų051.1 Ų51.10%025%0.249CC..EExtended strand (participates in β ladder)trans-111.2135.3175.2-55.287.4000109.4Y208 M210 I215 V219 I225 V226 L227 I243Y208-L217 HydrophobicContact CD1-CD1 3.91Å; Y208-L217 PolarHBondContact N-O 3.47Å; Y208-L217 PolarHBondContact O-N 3.49Å; M210-L217 HydrophobicContact CB-CD1 4.07Å; M210-L217 HydrophobicContact CE-CD1 4.25Å; I215-L217 HydrophobicContact CG2-CD1 4.04Å; I215-L217 HydrophobicContact CG2-CG 4.29Å; L217-V219 HydrophobicContact CB-CG2 4.48Å; L217-I225 HydrophobicContact CD2-CG2 4.37Å; L217-V226 CarbonylContact C-O 3.51Å; L217-V226 VanDerWaalsContact CA-O 3.26Å; L217-V226 WeakPolarHBondContact CA-O 3.24Å; L217-L227 HydrophobicContact CD2-CD2 3.62Å; L217-L227 HydrophobicContact CD2-CG 3.98Å; L217-L227 HydrophobicContact CG-CD2 4.02Å; L217-L227 HydrophobicContact CG-CG 4.08Å; L217-I243 HydrophobicContact CD2-CB 4.07Å; L217-I243 HydrophobicContact CD2-CG1 4.3Å; L217-I243 HydrophobicContact CD2-CG2 3.62Å
218L98.4Very high97.6Very high37 Ų3750.2 Ų50.219%0.19425%0.246CC..EExtended strand (participates in β ladder)trans-104.3116.2168.4-50.6-179.8000107.5F203 L206 I207 V216 F220 I225 V226F203-L218 HydrophobicContact CE1-CD2 4.26Å; F203-L218 HydrophobicContact CZ-CD1 4.25Å; L206-L218 CarbonylContact O-C 3.49Å; L206-L218 WeakPolarHBondContact O-CA 3.36Å; I207-L218 HydrophobicContact CB-CD2 4.49Å; I207-L218 HydrophobicContact CG1-CD2 3.95Å; I207-L218 HydrophobicContact CG2-CD2 4.44Å; V216-L218 HydrophobicContact CG1-CD2 4.46Å; L218-F220 HydrophobicContact CB-CE2 4.06Å; L218-F220 HydrophobicContact CB-CZ 4.45Å; L218-I225 CarbonylContact O-C 3.48Å; L218-I225 VanDerWaalsContact O-CA 3.27Å; L218-I225 WeakPolarHBondContact O-CA 3.44Å; L218-V226 HydrophobicContact CB-CB 4.19Å; L218-V226 HydrophobicContact CD1-CB 4.42Å; L218-V226 HydrophobicContact CG-CB 4.48Å; L218-V226 PolarHBondContact N-O 2.94Å; L218-V226 PolarHBondContact O-N 2.82Å
219V98.3Very high97.5Very high0 Ų051.4 Ų51.40%026%0.262CS..EExtended strand (participates in β ladder)trans-110.7124.4-176.5-174.30000108.9I183 L185 G205 L206 L217 I225 L247I183-V219 HydrophobicContact CD1-CG1 3.53Å; L185-V219 HydrophobicContact CD2-CB 4.34Å; L185-V219 HydrophobicContact CD2-CG1 3.87Å; G205-V219 CarbonylContact C-O 3.5Å; G205-V219 WeakPolarHBondContact CA-O 3.37Å; L206-V219 HydrophobicContact CB-CB 4.43Å; L206-V219 HydrophobicContact CD2-CB 4.49Å; L206-V219 HydrophobicContact CD2-CG2 4.48Å; L206-V219 PolarHBondContact N-O 3.26Å; L206-V219 PolarHBondContact O-N 2.93Å; L217-V219 HydrophobicContact CB-CG2 4.48Å; V219-I225 HydrophobicContact CG1-CG1 4.38Å; V219-L247 HydrophobicContact CG1-CD1 4.49Å; V219-L247 HydrophobicContact CG1-CD2 4.04Å; V219-L247 HydrophobicContact CG2-CD2 4.49Å
220F98.3Very high97.5Very high52 Ų5244.7 Ų44.723%0.22824%0.237CC..  trans-104.6152.1-179.8-64.2-88.5000111.2F203 L218 S222 G223 K224 V226F203-F220 HydrophobicContact CZ-CE1 4.13Å; F203-F220 AromaticContact CZ-CZ 3.97Å; F203-F220 HydrophobicContact CZ-CZ 3.97Å; L218-F220 HydrophobicContact CB-CE2 4.06Å; L218-F220 HydrophobicContact CB-CZ 4.45Å; F220-S222 PolarHBondContact O-N 3.29Å; F220-G223 PolarHBondContact O-N 3.01Å; F220-K224 HydrophobicContact CB-CB 4.43Å; F220-K224 HydrophobicContact CD2-CB 4.32Å; F220-K224 WeakPolarHBondContact CD2-O 3.06Å; F220-K224 PolarHBondContact N-O 3.04Å; F220-V226 HydrophobicContact CE2-CG2 4.32Å
221V97.6Very high97.5Very high43 Ų4348.7 Ų48.726%0.26125%0.254SS..THydrogen-bonded Turntrans-53.8-31.4177176.90000112H182 I183 L185 G223H182-V221 CarbonylContact C-O 3.56Å; H182-V221 WeakPolarHBondContact CA-O 3.45Å; I183-V221 PolarHBondContact N-O 3.03Å; L185-V221 HydrophobicContact CD1-CG2 3.59Å; L185-V221 HydrophobicContact CG-CG2 3.9Å; V221-G223 PolarHBondContact O-N 3.48Å
222S96.9Very high97.6Very high54 Ų5447.4 Ų47.438%0.37825%0.245SC..THydrogen-bonded Turntrans-69.1-11.3178.656.30000115.1F220F220-S222 PolarHBondContact O-N 3.29Å
223G97.2Very high97.7Very high0 Ų042.5 Ų42.50%022%0.222CC..SBendtrans90.9-3.9-172.600000114.2V179 F181 F220 V221V179-G223 WeakPolarHBondContact CG2-O 3.48Å; V179-G223 PolarHBondContact N-O 3.05Å; F181-G223 VanDerWaalsContact O-CA 3.28Å; F181-G223 WeakPolarHBondContact O-CA 3.3Å; F220-G223 PolarHBondContact O-N 3.01Å; V221-G223 PolarHBondContact O-N 3.48Å
224K98Very high97.8Very high122 Ų12247.4 Ų47.453%0.5324%0.244SC..EExtended strand (participates in β ladder)trans-69.3138.9170-64.7-176.2-178.9179.50110.2F220F220-K224 HydrophobicContact CB-CB 4.43Å; F220-K224 HydrophobicContact CD2-CB 4.32Å; F220-K224 WeakPolarHBondContact CD2-O 3.06Å; F220-K224 PolarHBondContact N-O 3.04Å
225I98.3Very high97.8Very high1 Ų141.6 Ų41.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-133.8136.4-179.4-57.1175.2000109.3S176 C177 V179 L217 L218 V219 L227 F240 L247S176-I225 CarbonylContact C-O 3.57Å; S176-I225 WeakPolarHBondContact CA-O 3.35Å; C177-I225 PolarHBondContact N-O 2.92Å; C177-I225 PolarHBondContact O-N 2.89Å; V179-I225 HydrophobicContact CG1-CD1 3.5Å; V179-I225 VanDerWaalsContact CG1-CD1 3.5Å; V179-I225 HydrophobicContact CG1-CG1 4.46Å; L217-I225 HydrophobicContact CD2-CG2 4.37Å; L218-I225 CarbonylContact O-C 3.48Å; L218-I225 VanDerWaalsContact O-CA 3.27Å; L218-I225 WeakPolarHBondContact O-CA 3.44Å; V219-I225 HydrophobicContact CG1-CG1 4.38Å; I225-L227 HydrophobicContact CG2-CD1 3.94Å; I225-L227 HydrophobicContact CG2-CG 4.26Å; I225-F240 HydrophobicContact CD1-CE2 4.02Å; I225-L247 HydrophobicContact CD1-CD1 3.21Å; I225-L247 HydrophobicContact CG1-CD1 4.39Å
226V98.5Very high97.8Very high41 Ų4141.6 Ų41.625%0.24822%0.22CC..EExtended strand (participates in β ladder)trans-117.1131.4170.9-178.10000108.7V174 G175 L217 L218 F220V174-V226 HydrophobicContact CG1-CG1 3.88Å; G175-V226 CarbonylContact O-C 3.57Å; G175-V226 WeakPolarHBondContact O-CA 3.33Å; L217-V226 CarbonylContact C-O 3.51Å; L217-V226 VanDerWaalsContact CA-O 3.26Å; L217-V226 WeakPolarHBondContact CA-O 3.24Å; L218-V226 HydrophobicContact CB-CB 4.19Å; L218-V226 HydrophobicContact CD1-CB 4.42Å; L218-V226 HydrophobicContact CG-CB 4.48Å; L218-V226 PolarHBondContact N-O 2.94Å; L218-V226 PolarHBondContact O-N 2.82Å; F220-V226 HydrophobicContact CE2-CG2 4.32Å
227L98.4Very high97.8Very high0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-115130.3177.7-56.993.8000108.8P78 V174 G175 I215 L217 I225 I236 A239 F240P78-L227 HydrophobicContact CB-CD1 4.39Å; V174-L227 CarbonylContact C-O 3.57Å; V174-L227 VanDerWaalsContact CA-O 3.31Å; V174-L227 WeakPolarHBondContact CA-O 2.91Å; G175-L227 PolarHBondContact N-O 3.49Å; G175-L227 PolarHBondContact O-N 3.49Å; I215-L227 HydrophobicContact CG2-CB 4.32Å; L217-L227 HydrophobicContact CD2-CD2 3.62Å; L217-L227 HydrophobicContact CD2-CG 3.98Å; L217-L227 HydrophobicContact CG-CD2 4.02Å; L217-L227 HydrophobicContact CG-CG 4.08Å; I225-L227 HydrophobicContact CG2-CD1 3.94Å; I225-L227 HydrophobicContact CG2-CG 4.26Å; L227-I236 HydrophobicContact CB-CG2 4.25Å; L227-I236 HydrophobicContact CD1-CG2 4.42Å; L227-I236 HydrophobicContact CD2-CG2 4.2Å; L227-A239 HydrophobicContact CD2-CB 4.03Å; L227-F240 HydrophobicContact CD1-CD2 4.47Å; L227-F240 HydrophobicContact CD2-CB 4.09Å
228T97.8Very high97.7Very high27 Ų2747.9 Ų47.917%0.16624%0.244CC..EExtended strand (participates in β ladder)trans-144154.8178.8-176.10000111.5N172 V216N172-T228 PolarHBondContact ND2-OG1 3.23Å; N172-T228 VanDerWaalsContact ND2-OG1 3.11Å; V216-T228 HydrophobicContact CB-CG2 4.24Å; V216-T228 PolarHBondContact N-O 2.99Å; V216-T228 PolarHBondContact O-N 2.94Å
229G96.9Very high97.7Very high39 Ų3946.1 Ų46.140%0.40224%0.235SC..EExtended strand (participates in β ladder)trans110.4-10.1179.600000113.7N172N172-G229 VanDerWaalsContact OD1-CA 3.23Å; N172-G229 WeakPolarHBondContact OD1-CA 3.49Å; N172-G229 PolarHBondContact OD1-N 3.22Å
230A97.9Very high97.7Very high0 Ų046.1 Ų46.10%024%0.235CC..EExtended strand (participates in β ladder)trans-70.4147.1178.200000111.2N172 M173 I215 E235 I236N172-A230 CarbonylContact C-O 3.57Å; N172-A230 VanDerWaalsContact CA-O 3.3Å; N172-A230 WeakPolarHBondContact CA-O 3.46Å; M173-A230 HydrophobicContact CB-CB 4.26Å; M173-A230 PolarHBondContact N-O 3.4Å; I215-A230 HydrophobicContact CD1-CB 3.51Å; A230-E235 WeakPolarHBondContact CA-OE2 3.4Å; A230-E235 HydrophobicContact CB-CB 4.03Å; A230-I236 HydrophobicContact CB-CD1 4.02Å; A230-I236 HydrophobicContact CB-CG1 3.47Å; A230-I236 VanDerWaalsContact CB-CG1 3.47Å
231K97.7Very high97.6Very high102 Ų10247.7 Ų47.744%0.44325%0.245SC..SBendtrans-109.4-13.6168-68.4178.5-177.5170.70112.2M173 E235M173-K231 WeakPolarHBondContact CE-O 3.36Å; K231-E235 PolarHBondContact N-OE2 3.3Å
232V97.3Very high97.5Very high71 Ų7149.1 Ų49.143%0.4325%0.251SS..SBendtrans-132.7140.4-176.41760000107.9E234 E235V232-E234 VanDerWaalsContact C-N 3.27Å; V232-E234 HydrophobicContact CG1-CB 4.22Å; V232-E234 WeakPolarHBondContact CG1-OE2 3.41Å; V232-E234 PolarHBondContact O-N 3.12Å; V232-E235 HydrophobicContact CB-CG 4.2Å; V232-E235 PolarHBondContact N-OE2 3.03Å; V232-E235 WeakPolarHBondContact O-CB 3.49Å; V232-E235 PolarHBondContact O-N 3.38Å
233R97Very high97.5Very high65 Ų6546.6 Ų46.625%0.24523%0.233CC..Hα-helixtrans-62.7-37.2-173.2-179-173.4-68.6-172.6-7.1111.8L80 E142 M173 E235 I236 Y237L80-R233 HydrophobicContact CD1-CG 4.26Å; E142-R233 VanDerWaalsContact CD-NH2 3.26Å; E142-R233 WeakPolarHBondContact OE1-CB 3.36Å; E142-R233 IonicContact OE1-CZ 2.95Å; E142-R233 VanDerWaalsContact OE1-CZ 3.31Å; E142-R233 IonicContact OE1-NE 3.02Å; E142-R233 PolarHBondContact OE1-NE 3.37Å; E142-R233 IonicContact OE1-NH2 3.78Å; E142-R233 PolarHBondContact OE1-NH2 3Å; E142-R233 IonicContact OE2-CZ 3.72Å; E142-R233 IonicContact OE2-NE 3.51Å; E142-R233 IonicContact OE2-NH2 3.79Å; E142-R233 PolarHBondContact OE2-NH2 3.48Å; M173-R233 HydrophobicContact SD-CB 4.29Å; R233-E235 PolarHBondContact O-N 3.44Å; R233-I236 WeakPolarHBondContact O-CB 3.28Å; R233-I236 PolarHBondContact O-N 2.84Å; R233-Y237 WeakPolarHBondContact CD-OH 3.5Å; R233-Y237 HydrophobicContact CG-CD2 4.4Å; R233-Y237 HydrophobicContact CG-CE1 4.35Å; R233-Y237 HydrophobicContact CG-CE2 3.68Å; R233-Y237 PolarHBondContact O-N 3.04Å
234E97.4Very high97.5Very high116 Ų11648 Ų4854%0.54224%0.239SC..Hα-helixtrans-59.6-33.7179.6-6865.3-146.900111.9V232 I236 Y237 E238V232-E234 VanDerWaalsContact C-N 3.27Å; V232-E234 HydrophobicContact CG1-CB 4.22Å; V232-E234 WeakPolarHBondContact CG1-OE2 3.41Å; V232-E234 PolarHBondContact O-N 3.12Å; E234-I236 VanDerWaalsContact C-N 3.27Å; E234-I236 PolarHBondContact O-N 2.91Å; E234-Y237 PolarHBondContact O-N 3.14Å; E234-Y237 VanDerWaalsContact O-N 3.17Å; E234-E238 WeakPolarHBondContact O-CB 3.28Å; E234-E238 PolarHBondContact O-N 3.43Å
235E97.8Very high97.4Very high60 Ų6045.6 Ų45.628%0.2824%0.236SC..Hα-helixtrans-63.5-32.6175.9-62.4176.2135.500112P213 I215 A230 K231 V232 R233 A239P213-E235 HydrophobicContact CB-CB 4.08Å; P213-E235 HydrophobicContact CB-CG 4.22Å; P213-E235 HydrophobicContact CG-CB 4.19Å; P213-E235 WeakPolarHBondContact CG-O 3.3Å; I215-E235 HydrophobicContact CD1-CB 4.33Å; A230-E235 WeakPolarHBondContact CA-OE2 3.4Å; A230-E235 HydrophobicContact CB-CB 4.03Å; K231-E235 PolarHBondContact N-OE2 3.3Å; V232-E235 HydrophobicContact CB-CG 4.2Å; V232-E235 PolarHBondContact N-OE2 3.03Å; V232-E235 WeakPolarHBondContact O-CB 3.49Å; V232-E235 PolarHBondContact O-N 3.38Å; R233-E235 PolarHBondContact O-N 3.44Å; E235-A239 WeakPolarHBondContact O-CB 3.43Å; E235-A239 PolarHBondContact O-N 2.89Å
236I97.9Very high97.2Very high1 Ų147.3 Ų47.31%0.00525%0.245CC..Hα-helixtrans-69-42.7175.9-64.6178.3000110P78 L80 M173 L227 A230 R233 E234 F240P78-I236 HydrophobicContact CB-CG2 3.8Å; P78-I236 HydrophobicContact CG-CG2 4.32Å; L80-I236 HydrophobicContact CD2-CD1 3.49Å; L80-I236 VanDerWaalsContact CD2-CD1 3.49Å; M173-I236 HydrophobicContact CB-CD1 3.81Å; L227-I236 HydrophobicContact CB-CG2 4.25Å; L227-I236 HydrophobicContact CD1-CG2 4.42Å; L227-I236 HydrophobicContact CD2-CG2 4.2Å; A230-I236 HydrophobicContact CB-CD1 4.02Å; A230-I236 HydrophobicContact CB-CG1 3.47Å; A230-I236 VanDerWaalsContact CB-CG1 3.47Å; R233-I236 WeakPolarHBondContact O-CB 3.28Å; R233-I236 PolarHBondContact O-N 2.84Å; E234-I236 VanDerWaalsContact C-N 3.27Å; E234-I236 PolarHBondContact O-N 2.91Å; I236-F240 WeakPolarHBondContact O-CB 3.4Å; I236-F240 PolarHBondContact O-N 2.82Å
237Y97.5Very high97.1Very high77 Ų7745.4 Ų45.430%0.30223%0.233SC..Hα-helixtrans-68.7-43.7179.6-59.3-25.7000111.7V77 P78 R233 E234 F240 N241V77-Y237 HydrophobicContact CG1-CE1 4.24Å; P78-Y237 HydrophobicContact CB-CD1 4.44Å; P78-Y237 HydrophobicContact CB-CE1 4.5Å; P78-Y237 HydrophobicContact CG-CD1 4.35Å; R233-Y237 WeakPolarHBondContact CD-OH 3.5Å; R233-Y237 HydrophobicContact CG-CD2 4.4Å; R233-Y237 HydrophobicContact CG-CE1 4.35Å; R233-Y237 HydrophobicContact CG-CE2 3.68Å; R233-Y237 PolarHBondContact O-N 3.04Å; E234-Y237 PolarHBondContact O-N 3.14Å; E234-Y237 VanDerWaalsContact O-N 3.17Å; Y237-F240 PolarHBondContact O-N 3.31Å; Y237-N241 WeakPolarHBondContact O-CB 3.38Å; Y237-N241 VanDerWaalsContact O-CG 3.23Å; Y237-N241 PolarHBondContact O-N 2.9Å; Y237-N241 PolarHBondContact O-ND2 2.93Å
238E97.5Very high97Very high98 Ų9851.7 Ų51.746%0.45826%0.26SS..Hα-helixtrans-60.2-48.7174.5-172-175.1161.300111.2P213 E234 F240 N241 N242P213-E238 HydrophobicContact CG-CB 4.36Å; P213-E238 HydrophobicContact CG-CG 4.47Å; E234-E238 WeakPolarHBondContact O-CB 3.28Å; E234-E238 PolarHBondContact O-N 3.43Å; E238-F240 VanDerWaalsContact C-N 3.29Å; E238-F240 PolarHBondContact O-N 3.41Å; E238-N241 PolarHBondContact O-N 3.46Å; E238-N242 WeakPolarHBondContact O-CB 3.33Å; E238-N242 VanDerWaalsContact O-CG 3.23Å; E238-N242 PolarHBondContact O-N 3.14Å; E238-N242 PolarHBondContact O-ND2 3.04Å
239A97.8Very high96.9Very high0 Ų056.8 Ų56.80%029%0.286CS..Hα-helixtrans-59.7-40.4177.500000112.5M210 P213 I215 L227 E235 I243M210-A239 HydrophobicContact CE-CB 4.41Å; M210-A239 WeakPolarHBondContact CE-O 3.49Å; M210-A239 HydrophobicContact SD-CB 3.8Å; P213-A239 HydrophobicContact CG-CB 4.03Å; I215-A239 HydrophobicContact CB-CB 4.04Å; I215-A239 HydrophobicContact CG1-CB 4.02Å; I215-A239 HydrophobicContact CG2-CB 3.99Å; L227-A239 HydrophobicContact CD2-CB 4.03Å; E235-A239 WeakPolarHBondContact O-CB 3.43Å; E235-A239 PolarHBondContact O-N 2.89Å; A239-I243 PolarHBondContact O-N 3.28Å; A239-I243 VanDerWaalsContact O-N 3.15Å
240F97.7Very high96.8Very high0 Ų056.7 Ų56.70%028%0.275CS..Hα-helixtrans-67.5-43.9176.8-174.1-94.5000112.2I75 P76 P78 C177 V179 I225 L227 I236 Y237 E238 N242 I243 Y244I75-F240 HydrophobicContact CG2-CD1 4.19Å; I75-F240 HydrophobicContact CG2-CE1 3.66Å; P76-F240 HydrophobicContact CB-CZ 4.22Å; P76-F240 WeakPolarHBondContact O-CE1 3.46Å; P78-F240 HydrophobicContact CG-CB 3.45Å; P78-F240 VanDerWaalsContact CG-CB 3.45Å; P78-F240 HydrophobicContact CG-CD1 3.87Å; P78-F240 HydrophobicContact CG-CD2 3.71Å; P78-F240 HydrophobicContact CG-CE2 4.41Å; P78-F240 HydrophobicContact CG-CG 3.38Å; C177-F240 HydrophobicContact CB-CD2 4.01Å; C177-F240 HydrophobicContact CB-CE2 3.51Å; C177-F240 HydrophobicContact CB-CZ 4.11Å; C177-F240 VanDerWaalsContact SG-CE2 3.54Å; C177-F240 WeakPolarHBondContact SG-CZ 3.44Å; V179-F240 HydrophobicContact CG1-CE2 4.12Å; V179-F240 HydrophobicContact CG1-CZ 4Å; I225-F240 HydrophobicContact CD1-CE2 4.02Å; L227-F240 HydrophobicContact CD1-CD2 4.47Å; L227-F240 HydrophobicContact CD2-CB 4.09Å; I236-F240 WeakPolarHBondContact O-CB 3.4Å; I236-F240 PolarHBondContact O-N 2.82Å; Y237-F240 PolarHBondContact O-N 3.31Å; E238-F240 VanDerWaalsContact C-N 3.29Å; E238-F240 PolarHBondContact O-N 3.41Å; F240-N242 VanDerWaalsContact C-N 3.27Å; F240-N242 PolarHBondContact O-N 3.09Å; F240-I243 WeakPolarHBondContact O-CG2 3.22Å; F240-I243 PolarHBondContact O-N 3.28Å; F240-Y244 AromaticContact CE1-CD2 3.88Å; F240-Y244 HydrophobicContact CE1-CD2 3.88Å; F240-Y244 HydrophobicContact CE1-CG 4.15Å; F240-Y244 AromaticContact CZ-CD2 3.73Å; F240-Y244 HydrophobicContact CZ-CD2 3.73Å; F240-Y244 HydrophobicContact CZ-CE2 4.41Å; F240-Y244 HydrophobicContact CZ-CG 4.4Å; F240-Y244 VanDerWaalsContact O-CB 3.23Å; F240-Y244 WeakPolarHBondContact O-CB 3.19Å; F240-Y244 PolarHBondContact O-N 3.16Å
241N96.6Very high96.7Very high84 Ų8462.2 Ų62.245%0.44930%0.299SS..Hα-helixtrans-63.1-33.6177.6-72.7-22.7000112.4Y237 E238 P245Y237-N241 WeakPolarHBondContact O-CB 3.38Å; Y237-N241 VanDerWaalsContact O-CG 3.23Å; Y237-N241 PolarHBondContact O-N 2.9Å; Y237-N241 PolarHBondContact O-ND2 2.93Å; E238-N241 PolarHBondContact O-N 3.46Å; N241-P245 WeakPolarHBondContact O-CD 3.48Å
242N96.3Very high96.4Very high74 Ų7459.9 Ų59.940%0.39629%0.289SS..Hα-helixtrans-70-42175.8-71.3-13.2000112.5M210 E238 F240M210-N242 HydrophobicContact CE-CB 3.67Å; M210-N242 HydrophobicContact SD-CB 4.09Å; E238-N242 WeakPolarHBondContact O-CB 3.33Å; E238-N242 VanDerWaalsContact O-CG 3.23Å; E238-N242 PolarHBondContact O-N 3.14Å; E238-N242 PolarHBondContact O-ND2 3.04Å; F240-N242 VanDerWaalsContact C-N 3.27Å; F240-N242 PolarHBondContact O-N 3.09Å
243I95.9Very high95.7Very high0 Ų059.9 Ų59.90%029%0.292CS..Hα-helixtrans-81.4-31.9-176.6-15960.2000112.5Y208 M210 L217 A239 F240 I246 L247Y208-I243 HydrophobicContact CD1-CD1 3.97Å; Y208-I243 HydrophobicContact CD2-CD1 3.81Å; Y208-I243 HydrophobicContact CE1-CD1 3.73Å; Y208-I243 HydrophobicContact CE2-CD1 3.56Å; Y208-I243 HydrophobicContact CG-CD1 4Å; M210-I243 HydrophobicContact CE-CB 4.26Å; L217-I243 HydrophobicContact CD2-CB 4.07Å; L217-I243 HydrophobicContact CD2-CG1 4.3Å; L217-I243 HydrophobicContact CD2-CG2 3.62Å; A239-I243 PolarHBondContact O-N 3.28Å; A239-I243 VanDerWaalsContact O-N 3.15Å; F240-I243 WeakPolarHBondContact O-CG2 3.22Å; F240-I243 PolarHBondContact O-N 3.28Å; I243-I246 HydrophobicContact CD1-CB 4.39Å; I243-I246 HydrophobicContact CD1-CD1 4.13Å; I243-I246 WeakPolarHBondContact O-CA 3.44Å; I243-I246 WeakPolarHBondContact O-CB 3.36Å; I243-I246 PolarHBondContact O-N 3.48Å; I243-L247 HydrophobicContact CG1-CD1 4.2Å; I243-L247 HydrophobicContact CG1-CD2 4.1Å; I243-L247 HydrophobicContact CG1-CG 3.98Å; I243-L247 HydrophobicContact CG2-CD1 4.12Å; I243-L247 WeakPolarHBondContact O-CG 3.16Å; I243-L247 PolarHBondContact O-N 3.42Å
244Y96.8Very high94.5Very high31 Ų3164 Ų6412%0.12232%0.319CS..Hα-helixtrans-56.3-44.5-170.5-179.3-101000114I75 P76 V179 F181 F240 I246 L247 K248I75-Y244 HydrophobicContact CB-CD1 4.49Å; I75-Y244 HydrophobicContact CB-CE1 4.29Å; I75-Y244 HydrophobicContact CD1-CD1 4.26Å; I75-Y244 HydrophobicContact CD1-CE1 4.45Å; I75-Y244 HydrophobicContact CG1-CD1 4.02Å; I75-Y244 HydrophobicContact CG1-CE1 3.78Å; I75-Y244 HydrophobicContact CG2-CD1 3.9Å; I75-Y244 HydrophobicContact CG2-CD2 4.5Å; I75-Y244 HydrophobicContact CG2-CE1 4.11Å; I75-Y244 HydrophobicContact CG2-CG 4.1Å; P76-Y244 HydrophobicContact CG-CE2 4.25Å; V179-Y244 HydrophobicContact CB-CE2 4.18Å; V179-Y244 HydrophobicContact CG1-CD2 3.93Å; V179-Y244 HydrophobicContact CG1-CE2 4.01Å; F181-Y244 HydrophobicContact CE1-CE2 4.26Å; F240-Y244 AromaticContact CE1-CD2 3.88Å; F240-Y244 HydrophobicContact CE1-CD2 3.88Å; F240-Y244 HydrophobicContact CE1-CG 4.15Å; F240-Y244 AromaticContact CZ-CD2 3.73Å; F240-Y244 HydrophobicContact CZ-CD2 3.73Å; F240-Y244 HydrophobicContact CZ-CE2 4.41Å; F240-Y244 HydrophobicContact CZ-CG 4.4Å; F240-Y244 VanDerWaalsContact O-CB 3.23Å; F240-Y244 WeakPolarHBondContact O-CB 3.19Å; F240-Y244 PolarHBondContact O-N 3.16Å; Y244-I246 VanDerWaalsContact C-N 3.3Å; Y244-I246 PolarHBondContact O-N 3.14Å; Y244-L247 PolarHBondContact O-N 2.94Å; Y244-K248 PolarHBondContact O-N 3.29Å
245P95.5Very high92.6Very high70 Ų7067.5 Ų67.546%0.45533%0.332SS..Hα-helixtrans-60.4-38.2174.4-23.334000113N241 K248 N249N241-P245 WeakPolarHBondContact O-CD 3.48Å; P245-K248 PolarHBondContact O-N 3.2Å; P245-N249 PolarHBondContact O-N 3.4Å
246I95.8Very high90.5Very high38 Ų3866.1 Ų66.120%0.19533%0.327CS..Hα-helixtrans-63.7-48.1177.3-56.9174.6000109.2L188 Q192 I243 Y244 K248 N249 F250L188-I246 HydrophobicContact CD1-CG2 3.7Å; Q192-I246 HydrophobicContact CG-CG2 4.13Å; I243-I246 HydrophobicContact CD1-CB 4.39Å; I243-I246 HydrophobicContact CD1-CD1 4.13Å; I243-I246 WeakPolarHBondContact O-CA 3.44Å; I243-I246 WeakPolarHBondContact O-CB 3.36Å; I243-I246 PolarHBondContact O-N 3.48Å; Y244-I246 VanDerWaalsContact C-N 3.3Å; Y244-I246 PolarHBondContact O-N 3.14Å; I246-K248 VanDerWaalsContact C-N 3.28Å; I246-K248 PolarHBondContact O-N 3.26Å; I246-N249 WeakPolarHBondContact O-CB 3.21Å; I246-N249 PolarHBondContact O-N 2.79Å; I246-N249 VanDerWaalsContact O-N 3.12Å; I246-F250 HydrophobicContact CG2-CD2 4.37Å; I246-F250 HydrophobicContact CG2-CE2 4.01Å; I246-F250 WeakPolarHBondContact O-CD2 3.41Å
247L96.5Very high88.3Confident0 Ų070.9 Ų70.90%036%0.358CS..Hα-helixtrans-61.5-36.5-179.8-59.2-178.7000112.7V179 F181 I183 L188 V219 I225 I243 Y244 N249 F250 K251V179-L247 HydrophobicContact CG1-CD1 4.4Å; F181-L247 HydrophobicContact CZ-CB 4.45Å; I183-L247 HydrophobicContact CD1-CB 4.34Å; I183-L247 HydrophobicContact CD1-CD1 4.17Å; I183-L247 HydrophobicContact CD1-CD2 4.28Å; I183-L247 HydrophobicContact CD1-CG 4.49Å; L188-L247 HydrophobicContact CD2-CD2 3.58Å; V219-L247 HydrophobicContact CG1-CD1 4.49Å; V219-L247 HydrophobicContact CG1-CD2 4.04Å; V219-L247 HydrophobicContact CG2-CD2 4.49Å; I225-L247 HydrophobicContact CD1-CD1 3.21Å; I225-L247 HydrophobicContact CG1-CD1 4.39Å; I243-L247 HydrophobicContact CG1-CD1 4.2Å; I243-L247 HydrophobicContact CG1-CD2 4.1Å; I243-L247 HydrophobicContact CG1-CG 3.98Å; I243-L247 HydrophobicContact CG2-CD1 4.12Å; I243-L247 WeakPolarHBondContact O-CG 3.16Å; I243-L247 PolarHBondContact O-N 3.42Å; Y244-L247 PolarHBondContact O-N 2.94Å; L247-N249 PolarHBondContact O-N 3.17Å; L247-F250 CarbonylContact O-C 3.54Å; L247-F250 PolarHBondContact O-N 3.47Å; L247-K251 PolarHBondContact O-N 3.19Å
248K95.3Very high86.4Confident132 Ų13276 Ų7657%0.57438%0.377SS*.Hα-helixtrans-59.6-35.1177.3-166176.9-178.7-179.90112Y244 P245 I246 F250 K251Y244-K248 PolarHBondContact O-N 3.29Å; P245-K248 PolarHBondContact O-N 3.2Å; I246-K248 VanDerWaalsContact C-N 3.28Å; I246-K248 PolarHBondContact O-N 3.26Å; K248-F250 PolarHBondContact O-N 2.81Å; K248-K251 WeakPolarHBondContact O-CB 3.28Å; K248-K251 PolarHBondContact O-N 3.24Å
249N95.5Very high84.4Confident134 Ų13475.5 Ų75.572%0.71739%0.389SS*.Hα-helixtrans-67.9-19.7176.4-64.4-19.8000113.3P245 I246 L247P245-N249 PolarHBondContact O-N 3.4Å; I246-N249 WeakPolarHBondContact O-CB 3.21Å; I246-N249 PolarHBondContact O-N 2.79Å; I246-N249 VanDerWaalsContact O-N 3.12Å; L247-N249 PolarHBondContact O-N 3.17Å
250F95.9Very high82Confident38 Ų3882.8 Ų82.817%0.16743%0.428CS..THydrogen-bonded Turntrans-107.818.5178-61.2-79.5000112.9I183 R184 G187 L188 S191 I246 L247 K248 K252I183-F250 HydrophobicContact CG2-CB 4.08Å; R184-F250 PolarHBondContact N-O 3.2Å; G187-F250 VanDerWaalsContact O-CE1 3.23Å; G187-F250 WeakPolarHBondContact O-CE1 3.41Å; L188-F250 HydrophobicContact CB-CD1 4.39Å; L188-F250 HydrophobicContact CB-CD2 4.11Å; L188-F250 HydrophobicContact CB-CE2 4.45Å; L188-F250 HydrophobicContact CB-CG 4.1Å; L188-F250 HydrophobicContact CD1-CD2 3.65Å; L188-F250 HydrophobicContact CD1-CE2 3.65Å; L188-F250 HydrophobicContact CD1-CG 4.48Å; L188-F250 HydrophobicContact CD1-CZ 4.47Å; L188-F250 HydrophobicContact CG-CD2 4.43Å; S191-F250 VanDerWaalsContact CB-CZ 3.49Å; I246-F250 HydrophobicContact CG2-CD2 4.37Å; I246-F250 HydrophobicContact CG2-CE2 4.01Å; I246-F250 WeakPolarHBondContact O-CD2 3.41Å; L247-F250 CarbonylContact O-C 3.54Å; L247-F250 PolarHBondContact O-N 3.47Å; K248-F250 PolarHBondContact O-N 2.81Å; F250-K252 PolarHBondContact O-N 3.3Å
251K95.9Very high79.4Confident116 Ų11688.4 Ų88.450%0.50446%0.462SS..BIsolated β-bridgetrans-58.9124.4172.3178.1172.7177.2-178.50109.6F181 H182 L247 K248 S253F181-K251 HydrophobicContact CB-CD 3.93Å; F181-K251 HydrophobicContact CB-CG 4.01Å; F181-K251 HydrophobicContact CD1-CD 4.46Å; F181-K251 HydrophobicContact CD2-CB 3.8Å; F181-K251 HydrophobicContact CD2-CD 4.16Å; F181-K251 HydrophobicContact CD2-CG 3.76Å; F181-K251 HydrophobicContact CE2-CB 4.07Å; F181-K251 HydrophobicContact CE2-CG 4.49Å; F181-K251 HydrophobicContact CG-CB 4.45Å; F181-K251 HydrophobicContact CG-CD 3.94Å; F181-K251 HydrophobicContact CG-CG 4Å; H182-K251 WeakPolarHBondContact O-CA 3.2Å; L247-K251 PolarHBondContact O-N 3.19Å; K248-K251 WeakPolarHBondContact O-CB 3.28Å; K248-K251 PolarHBondContact O-N 3.24Å; K251-S253 PolarHBondContact O-N 2.95Å
252K91.2Very high77Confident53 Ų5389.5 Ų89.523%0.2348%0.477CS..PPolyproline II helixtrans-65.6131.7170.8-65.9-173-179.8-177.90108.3H182 I183 R184 F250H182-K252 HydrophobicContact CB-CB 4.13Å; H182-K252 HydrophobicContact CB-CD 4.08Å; H182-K252 HydrophobicContact CB-CG 4.28Å; H182-K252 PolarHBondContact O-N 2.94Å; I183-K252 WeakPolarHBondContact O-CE 3.41Å; R184-K252 HydrophobicContact CB-CG 4.05Å; F250-K252 PolarHBondContact O-N 3.3Å
253S82.7Confident74.6Confident71 Ų7191 Ų9150%0.49749%0.493SS..PPolyproline II helixtrans-69.2140.6167.550.10000108.6K251 K255 D256K251-S253 PolarHBondContact O-N 2.95Å; S253-K255 PolarHBondContact O-N 3.12Å; S253-D256 PolarHBondContact O-N 2.73Å
254D70.2Confident72.1Confident151 Ų15196.3 Ų96.381%0.80753%0.53SS*.THydrogen-bonded Turntrans-62.9-1.2175.4-62.3-40.6000112.9
255K57.7Low69.6Low189 Ų189102.2 Ų102.282%0.82256%0.563SS**THydrogen-bonded Turntrans-93.58.1177.1-61.3-172.2178.1-176.30114.2S253 P257S253-K255 PolarHBondContact O-N 3.12Å; K255-P257 WeakPolarHBondContact O-CD 3.46Å
256D55Low67.2Low32 Ų32109.5 Ų109.517%0.17158%0.583CS.*  trans-75.2110.9174.8-163.2-26.2000110.3S253 R258 A259S253-D256 PolarHBondContact O-N 2.73Å; D256-R258 PolarHBondContact O-N 3.31Å; D256-R258 IonicContact OD1-CZ 3.48Å; D256-R258 PolarHBondContact OD1-N 2.88Å; D256-R258 IonicContact OD1-NE 2.85Å; D256-R258 PolarHBondContact OD1-NE 3.04Å; D256-R258 IonicContact OD1-NH2 3.55Å; D256-R258 IonicContact OD2-CZ 2.65Å; D256-R258 IonicContact OD2-NE 3.24Å; D256-R258 IonicContact OD2-NH2 3.31Å; D256-R258 PolarHBondContact OD2-NH2 2.79Å; D256-A259 PolarHBondContact O-N 3.29Å
257P51.2Low64.9Low101 Ų101116.5 Ų116.566%0.65662%0.618SS**G310 helixtrans-65.4-9.4-173.5-18.832.7000114.6K255 A259K255-P257 WeakPolarHBondContact O-CD 3.46Å; P257-A259 VanDerWaalsContact C-N 3.33Å; P257-A259 PolarHBondContact O-N 2.77Å
258R57.8Low63.1Low183 Ų183124.8 Ų124.869%0.69166%0.656SS**G310 helixtrans-83.4-3.9-175.7-66174.7-68.6170.91.3114.3D256D256-R258 PolarHBondContact O-N 3.31Å; D256-R258 IonicContact OD1-CZ 3.48Å; D256-R258 PolarHBondContact OD1-N 2.88Å; D256-R258 IonicContact OD1-NE 2.85Å; D256-R258 PolarHBondContact OD1-NE 3.04Å; D256-R258 IonicContact OD1-NH2 3.55Å; D256-R258 IonicContact OD2-CZ 2.65Å; D256-R258 IonicContact OD2-NE 3.24Å; D256-R258 IonicContact OD2-NH2 3.31Å; D256-R258 PolarHBondContact OD2-NH2 2.79Å
259A54.6Low61.1Low88 Ų88124.1 Ų124.173%0.72767%0.665SS**G310 helixtrans-83.4-7.9178.400000114.3D256 P257D256-A259 PolarHBondContact O-N 3.29Å; P257-A259 VanDerWaalsContact C-N 3.33Å; P257-A259 PolarHBondContact O-N 2.77Å
260L46.9Very low59.2Low154 Ų154125 Ų12581%0.80667%0.669SS**SBendtrans-106.2-2.4-175.4-73.3163000114.3S262L260-S262 PolarHBondContact O-N 2.99Å
261T44.2Very low57.6Low117 Ų117133 Ų13372%0.71872%0.721SS**THydrogen-bonded Turntrans-97.463.8-175.961.90000112
262S45.5Very low55.7Low108 Ų108133.9 Ų133.976%0.75573%0.732SS**THydrogen-bonded Turntrans-145.211.116467.30000113.9L260L260-S262 PolarHBondContact O-N 2.99Å
263S46Very low53.8Low106 Ų106138.1 Ų138.174%0.74176%0.758SS**SBendtrans-149.847.1-173.6-41.10000113.9
264S43.5Very low52.2Low110 Ų110141.8 Ų141.877%0.76977%0.773SS**  trans-163.490.2160.3-157.30000111.1
265N44.3Very low51.1Low155 Ų155141.3 Ų141.383%0.82977%0.771SS**  trans-133.662.6166.2-101.4-17.2000107.6
266Y45.3Very low50.7Low223 Ų223138.3 Ų138.388%0.87577%0.768SS**  trans-158.1102.5162.6-77.9-71.6000108.2
267M48.5Very low50.5Low186 Ų186145.4 Ų145.492%0.91681%0.808SS**  trans168.499140-90.7-83.5151.100108.9
268H57.4Low50.4Low174 Ų174148.6 Ų148.681%0.80682%0.818SS**PPolyproline II helixtrans-63.9141.5160.9-106-85.9000109.6
269P54Low49.8Very low118 Ų118145.9 Ų145.977%0.76683%0.828SS**PPolyproline II helixtrans-87124.616028.3-18.5000109.2
270L55.7Low49.4Very low153 Ų153150.8 Ų150.880%0.80184%0.837SS**PPolyproline II helixtrans-95.6127.8161.1-79170.2000108
271T61.9Low49.7Very low205 Ų205150.5 Ų150.5100%1.25884%0.839SS**  trans310145.554.40000118.9

Retrieved 271 of 271 residues in 68.2 ms (Link to these results)