A0A087Y843_POEFO Loading...

CD68 molecule

AlphaFold DB , UniProt , Accession A0A087Y843, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.9Low61.4Low196 Ų196114.5 Ų114.597%0.96660%0.6SS**  0-23.50-69-145-88.900113.3R3 V4 A5M1-R3 PolarHBondContact O-N 3.41Å; M1-V4 PolarHBondContact O-N 3.24Å; M1-A5 PolarHBondContact O-N 3.35Å
2Q47.8Very low61.7Low168 Ų168111.7 Ų111.779%0.78560%0.596SS**Hα-helixtrans-58.6-39.7-177.6-150.3154.5-8.800115.4V4 A5 V6Q2-V4 VanDerWaalsContact C-N 3.32Å; Q2-V4 PolarHBondContact O-N 3.04Å; Q2-A5 PolarHBondContact O-N 3.4Å; Q2-V6 VanDerWaalsContact O-CG2 3.28Å; Q2-V6 WeakPolarHBondContact O-CG2 3.45Å; Q2-V6 PolarHBondContact O-N 2.82Å; Q2-V6 VanDerWaalsContact O-N 3.11Å
3R53.1Low61.7Low222 Ų222108.6 Ų108.684%0.83859%0.587SS**Hα-helixtrans-68.4-27.5178.6-66.9-173.1177.7-174.5-0.6114.1M1 L7M1-R3 PolarHBondContact O-N 3.41Å; R3-L7 PolarHBondContact O-N 3.11Å; R3-L7 VanDerWaalsContact O-N 3.15Å
4V58.1Low61.4Low58 Ų58104.3 Ų104.335%0.35257%0.574SS.*Hα-helixtrans-80.1-38.7178.8-179.50000110.5M1 Q2 V6 L7 I8M1-V4 PolarHBondContact O-N 3.24Å; Q2-V4 VanDerWaalsContact C-N 3.32Å; Q2-V4 PolarHBondContact O-N 3.04Å; V4-V6 VanDerWaalsContact C-N 3.32Å; V4-V6 PolarHBondContact O-N 3Å; V4-L7 PolarHBondContact O-N 3.27Å; V4-I8 HydrophobicContact CG1-CD1 4.07Å; V4-I8 WeakPolarHBondContact O-CG1 3.47Å; V4-I8 PolarHBondContact O-N 3.38Å
5A59.2Low60.9Low54 Ų54103.5 Ų103.545%0.44657%0.568SS.*Hα-helixtrans-62-40.717300000111.7M1 Q2 I8 L9M1-A5 PolarHBondContact O-N 3.35Å; Q2-A5 PolarHBondContact O-N 3.4Å; A5-I8 PolarHBondContact O-N 3.15Å; A5-L9 WeakPolarHBondContact O-CB 3.42Å; A5-L9 PolarHBondContact O-N 3.05Å
6V69.8Low60.6Low87 Ų87101.9 Ų101.953%0.52756%0.562SS.*Hα-helixtrans-65.4-40.8175.4173.90000111.5Q2 V4 L9 V10Q2-V6 VanDerWaalsContact O-CG2 3.28Å; Q2-V6 WeakPolarHBondContact O-CG2 3.45Å; Q2-V6 PolarHBondContact O-N 2.82Å; Q2-V6 VanDerWaalsContact O-N 3.11Å; V4-V6 VanDerWaalsContact C-N 3.32Å; V4-V6 PolarHBondContact O-N 3Å; V6-L9 PolarHBondContact O-N 3.15Å; V6-V10 HydrophobicContact CG1-CG2 4.26Å; V6-V10 WeakPolarHBondContact O-CB 3.4Å; V6-V10 WeakPolarHBondContact O-CG2 3.31Å; V6-V10 PolarHBondContact O-N 2.74Å
7L63.3Low60.1Low125 Ų12599.1 Ų99.165%0.65456%0.555SS**Hα-helixtrans-65.4-37.8176-101.7146.4000113.1R3 V4 A11R3-L7 PolarHBondContact O-N 3.11Å; R3-L7 VanDerWaalsContact O-N 3.15Å; V4-L7 PolarHBondContact O-N 3.27Å; L7-A11 VanDerWaalsContact O-CB 3.32Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.11Å
8I66.4Low59.6Low94 Ų94101 Ų10148%0.48256%0.563SS.*Hα-helixtrans-68.9-40.8175.3-67.7170.5000110.6V4 A5 A11 C12V4-I8 HydrophobicContact CG1-CD1 4.07Å; V4-I8 WeakPolarHBondContact O-CG1 3.47Å; V4-I8 PolarHBondContact O-N 3.38Å; A5-I8 PolarHBondContact O-N 3.15Å; I8-A11 PolarHBondContact O-N 3.15Å; I8-C12 WeakPolarHBondContact O-CB 3.35Å; I8-C12 PolarHBondContact O-N 2.85Å
9L66.1Low59.1Low118 Ų118100.4 Ų100.462%0.61857%0.566SS**Hα-helixtrans-65.4-41.4176.4-125.1121000111.8A5 V6 C12 C13A5-L9 WeakPolarHBondContact O-CB 3.42Å; A5-L9 PolarHBondContact O-N 3.05Å; V6-L9 PolarHBondContact O-N 3.15Å; L9-C12 PolarHBondContact O-N 2.89Å; L9-C13 WeakPolarHBondContact O-CB 3.43Å; L9-C13 PolarHBondContact O-N 3.47Å; L9-C13 PolarHBondContact O-SG 3.26Å; L9-C13 VanDerWaalsContact O-SG 3.39Å
10V72.6Confident58.6Low90 Ų90102.7 Ų102.755%0.54558%0.577SS.*Hα-helixtrans-67.2-38.9176.9172.30000111.2V6 C13 A14V6-V10 HydrophobicContact CG1-CG2 4.26Å; V6-V10 WeakPolarHBondContact O-CB 3.4Å; V6-V10 WeakPolarHBondContact O-CG2 3.31Å; V6-V10 PolarHBondContact O-N 2.74Å; V10-C13 PolarHBondContact O-N 2.03Å; V10-A14 WeakPolarHBondContact O-CB 3.33Å; V10-A14 PolarHBondContact O-N 3.41Å
11A67.1Low57.9Low47 Ų47101.5 Ų101.539%0.38858%0.579SS.*Hα-helixtrans-65.5-41.3173.700000111.8L7 I8 A14 L15L7-A11 VanDerWaalsContact O-CB 3.32Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.11Å; I8-A11 PolarHBondContact O-N 3.15Å; A11-A14 PolarHBondContact O-N 2.87Å; A11-L15 WeakPolarHBondContact O-CD1 3.32Å; A11-L15 PolarHBondContact O-N 3.14Å
12C65.2Low57.4Low81 Ų81101.1 Ų101.155%0.54757%0.572SS.*Hα-helixtrans-65.3-40.6176.8-142.90000111.7I8 L9 L15 T16I8-C12 WeakPolarHBondContact O-CB 3.35Å; I8-C12 PolarHBondContact O-N 2.85Å; L9-C12 PolarHBondContact O-N 2.89Å; C12-L15 PolarHBondContact O-N 2.85Å; C12-T16 PolarHBondContact O-N 2.75Å; C12-T16 PolarHBondContact O-OG1 2.89Å
13C60.9Low57.3Low72 Ų72100.3 Ų100.349%0.48657%0.574SS.*Hα-helixtrans-68.3-33.1174.1-74.30000113.4L9 V10 T16 A17L9-C13 WeakPolarHBondContact O-CB 3.43Å; L9-C13 PolarHBondContact O-N 3.47Å; L9-C13 PolarHBondContact O-SG 3.26Å; L9-C13 VanDerWaalsContact O-SG 3.39Å; V10-C13 PolarHBondContact O-N 2.03Å; C13-T16 WeakPolarHBondContact CA-OG1 3.02Å; C13-T16 PolarHBondContact O-OG1 2.8Å; C13-A17 WeakPolarHBondContact O-CB 2.94Å; C13-A17 PolarHBondContact O-N 2.95Å
14A58.1Low57.1Low48 Ų4895.5 Ų95.540%0.39757%0.569SS.*Hα-helixtrans-69.9-3717400000111.7V10 A11 A17 L18V10-A14 WeakPolarHBondContact O-CB 3.33Å; V10-A14 PolarHBondContact O-N 3.41Å; A11-A14 PolarHBondContact O-N 2.87Å; A14-A17 PolarHBondContact O-N 2.82Å; A14-L18 WeakPolarHBondContact O-CD1 3.04Å; A14-L18 PolarHBondContact O-N 3.41Å
15L54.4Low56.6Low93 Ų93100.2 Ų100.249%0.48759%0.592SS.*Hα-helixtrans-67.1-37174.8-90.3142.3000112.5A11 C12 S19 V304A11-L15 WeakPolarHBondContact O-CD1 3.32Å; A11-L15 PolarHBondContact O-N 3.14Å; C12-L15 PolarHBondContact O-N 2.85Å; L15-S19 PolarHBondContact O-N 2.93Å; L15-S19 PolarHBondContact O-OG 2.83Å; L15-V304 HydrophobicContact CD1-CG1 4.47Å
16T56.2Low55.5Low77 Ų77106.5 Ų106.547%0.47261%0.612SS.*Hα-helixtrans-74.1-31.6173.954.30000113C12 C13 S19 L20C12-T16 PolarHBondContact O-N 2.75Å; C12-T16 PolarHBondContact O-OG1 2.89Å; C13-T16 WeakPolarHBondContact CA-OG1 3.02Å; C13-T16 PolarHBondContact O-OG1 2.8Å; T16-S19 WeakPolarHBondContact CA-OG 3.3Å; T16-S19 PolarHBondContact O-N 3.12Å; T16-S19 PolarHBondContact O-OG 2.81Å; T16-L20 PolarHBondContact O-N 2.73Å
17A51.9Low54.1Low54 Ų54108.2 Ų108.245%0.44663%0.628SS.*Hα-helixtrans-70.3-36.7174.200000112.7C13 A14 S19 L20 A21C13-A17 WeakPolarHBondContact O-CB 2.94Å; C13-A17 PolarHBondContact O-N 2.95Å; A14-A17 PolarHBondContact O-N 2.82Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.14Å; A17-L20 PolarHBondContact O-N 2.93Å; A17-A21 PolarHBondContact O-N 3.4Å
18L50.8Low52.7Low134 Ų134110.6 Ų110.670%0.70263%0.633SS**Hα-helixtrans-70.2-25.8175.2-94.292.5000113.4A14 L20A14-L18 WeakPolarHBondContact O-CD1 3.04Å; A14-L18 PolarHBondContact O-N 3.41Å; L18-L20 VanDerWaalsContact C-N 3.28Å
19S50.6Low51.4Low89 Ų89112.2 Ų112.262%0.62265%0.65SS**Hα-helixtrans-72.7-19.5170.850.20000113.8L15 T16 A17L15-S19 PolarHBondContact O-N 2.93Å; L15-S19 PolarHBondContact O-OG 2.83Å; T16-S19 WeakPolarHBondContact CA-OG 3.3Å; T16-S19 PolarHBondContact O-N 3.12Å; T16-S19 PolarHBondContact O-OG 2.81Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.14Å
20L47.7Very low49.8Very low147 Ų147110.5 Ų110.577%0.7765%0.648SS**Hα-helixtrans-95.5-17.4178.2-75.5161.2000113.4T16 A17 L18T16-L20 PolarHBondContact O-N 2.73Å; A17-L20 PolarHBondContact O-N 2.93Å; L18-L20 VanDerWaalsContact C-N 3.28Å
21A44.1Very low48.3Very low77 Ų77111.8 Ų111.864%0.63666%0.661SS**THydrogen-bonded Turntrans-91.76.3-176.600000114.8A17A17-A21 PolarHBondContact O-N 3.4Å
22K43Very low46.8Very low188 Ų188115.6 Ų115.682%0.81768%0.679SS**THydrogen-bonded Turntrans-99.612-178.5-149.2161.7-174.9164.40115.1
23D45.8Very low45.6Very low152 Ų152120.7 Ų120.781%0.81370%0.697SS**  trans-113.268.3169-78-43.6000110.9
24T48.3Very low44.6Very low121 Ų121123.2 Ų123.274%0.74272%0.716SS**SBendtrans-152122.1153.2-27.70000109.1
25N46.5Very low43.8Very low156 Ų156125.6 Ų125.683%0.83473%0.73SS**SBendtrans83.973.6-177.7-59-36.8000117.1
26E36.9Very low43Very low187 Ų187126.1 Ų126.187%0.87475%0.747SS**  -156.4116.9123.7-140.5175.7125.500110K28E26-K28 PolarHBondContact O-N 2.95Å; E26-K28 VanDerWaalsContact O-N 3.12Å
27S40.7Very low42.2Very low122 Ų122127.1 Ų127.185%0.85376%0.763SS**  trans-68.8102.8-178.4-8.10000110.4P29S27-P29 WeakPolarHBondContact O-CD 3.47Å
28K34Very low41.8Very low175 Ų175129.4 Ų129.476%0.76178%0.776SS**  trans-92.1114.6167.3-177.5-172.1-174.9-168.30109.6E26 S30E26-K28 PolarHBondContact O-N 2.95Å; E26-K28 VanDerWaalsContact O-N 3.12Å; K28-S30 PolarHBondContact O-N 3Å
29P38.2Very low41.3Very low129 Ų129132.8 Ų132.884%0.83879%0.785SS**  trans-85.5107.4158.130.2-25.5000108.5S27S27-P29 WeakPolarHBondContact O-CD 3.47Å
30S32.1Very low40.8Very low81 Ų81136.9 Ų136.957%0.56680%0.795SS**  trans-106.7112.3166-162.70000108K28 T32K28-S30 PolarHBondContact O-N 3Å; S30-T32 PolarHBondContact O-N 2.7Å
31S42.6Very low40.3Very low117 Ų117137 Ų13782%0.81880%0.796SS**  trans-72.4112.4172.649.50000110.9
32T35.6Very low40Very low128 Ų128139.2 Ų139.279%0.78580%0.802SS**  trans-140.1107.4159-54.80000108.5S30S30-T32 PolarHBondContact O-N 2.7Å
33M39.8Very low39.8Very low188 Ų188135.4 Ų135.493%0.92680%0.799SS**  trans-74.1136.8166.3-79.1-85.8-120.900109.4
34S39.2Very low40.3Very low124 Ų124133.8 Ų133.887%0.86780%0.797SS**  trans-141.1143.5155.8-1590000109.9
35S41.8Very low40.3Very low99 Ų99134.3 Ų134.369%0.69280%0.802SS**  trans-90.7154.6-155.4-60.80000115.2
36A38.2Very low40.2Very low103 Ų103136.2 Ų136.285%0.85180%0.803SS**  trans64.5113.3141.800000120.8
37A39.2Very low40.6Very low99 Ų99132.8 Ų132.882%0.81880%0.797SS**  -157.2132.4126.300000110.6
38S42.7Very low40.6Very low101 Ų101135.2 Ų135.271%0.70680%0.8SS**  trans-73.5136.3175.81440000111.2
39F40.6Very low40.7Very low205 Ų205132.7 Ų132.790%0.89980%0.799SS**  trans-148.6121.7144.5-82.9-74000110.6
40Q39.6Very low40.6Very low176 Ų176133.6 Ų133.682%0.82280%0.797SS**  trans-74.1134.4157.2-67173.6-18.800107.6
41D37.9Very low40.7Very low148 Ų148134.8 Ų134.879%0.79180%0.801SS**  -176.1120.8124.8-112.2-37.1000113.8
42T36.7Very low40.3Very low125 Ų125135.5 Ų135.577%0.76780%0.8SS**  trans16123.8131.1-24.70000121
43S40.1Very low40.5Very low108 Ų108135.3 Ų135.376%0.75580%0.799SS**  trans133.6133.7137.4-172.80000115
44P55.5Low41Very low117 Ų117132.3 Ų132.376%0.7679%0.794SS**  trans-99.8155.2178.137.5-30.2000113.1
45P49.6Very low41.1Very low132 Ų132133.5 Ų133.586%0.85778%0.783SS**  trans-111.7140.3157.220.5-2.3000114
46K42.8Very low41.4Very low196 Ų196135 Ų13585%0.85279%0.791SS**  trans-58.8161.2178.3-174.6173.3178.5-174.40114.1
47P45.4Very low41.7Very low115 Ų115134.7 Ų134.775%0.74778%0.778SS**  trans-87.8152.6-167.733.9-31.7000113.7
48L41Very low41.8Very low174 Ų174136.8 Ų136.891%0.91178%0.781SS**  trans-111.2132170-114.874000111.3
49T36.4Very low41.8Very low122 Ų122140.1 Ų140.175%0.74878%0.783SS**  trans-80.4174.1177.4190000113.1
50N36.2Very low42.3Very low147 Ų147136.2 Ų136.279%0.78678%0.778SS**  trans87.5131.7157.4-76.38.8000116.6
51T33.3Very low42.4Very low107 Ų107132.8 Ų132.866%0.65677%0.769SS**  cis-167.2154.34.2-43.20000109.4
52T34.2Very low42.6Very low131 Ų131132.6 Ų132.680%0.80477%0.774SS**  trans65.1116145.841.10000124
53T39.9Very low42.9Very low124 Ų124134.5 Ų134.576%0.76177%0.771SS**  trans-50.8160.9156.6-15.90000114.3
54P50.4Low43.5Very low125 Ų125135.4 Ų135.481%0.81278%0.775SS**  -138.6147.273.329.4-8.6000117.2
55K41.5Very low42.9Very low149 Ų149134.1 Ų134.165%0.64877%0.765SS**  trans-35.7150.2164-173.8179.1-178.6-173.60115.9T57K55-T57 HydrophobicContact CD-CG2 4.43Å; K55-T57 WeakPolarHBondContact CE-OG1 3.17Å
56P48.3Very low42.8Very low132 Ų132134.7 Ų134.786%0.85777%0.766SS**  -128.6137.4110.44.916.4000114.1
57T43.5Very low42.8Very low96 Ų96133.2 Ų133.259%0.58976%0.76SS**  trans-75.8136.5167.819.90000112.2K55K55-T57 HydrophobicContact CD-CG2 4.43Å; K55-T57 WeakPolarHBondContact CE-OG1 3.17Å
58T43Very low43.1Very low143 Ų143134 Ų13488%0.87777%0.765SS**  trans-152.9103.113832.70000111.2
59K42Very low43.3Very low171 Ų171130.1 Ų130.174%0.74375%0.748SS**  trans27123.3143.3-161.6176.1-177.4-177.70120.9
60P50.8Low43.7Very low123 Ų123130.6 Ų130.680%0.79975%0.752SS**  trans-97.6127.5158.333.4-23.6000111.3
61T40.9Very low44.1Very low103 Ų103131.6 Ų131.663%0.63275%0.749SS**  trans-157.6114.216432.60000110.9
62T43.2Very low45.1Very low144 Ų144132.5 Ų132.588%0.88376%0.757SS**  -177.398.5124.627.40000111.5
63K43.9Very low45.6Very low165 Ų165130.7 Ų130.772%0.71775%0.746SS**  trans38.5119.1133-160-179.6-170.5-171.90120.4T65K63-T65 HydrophobicContact CD-CG2 4.39Å; K63-T65 WeakPolarHBondContact CE-OG1 3.27Å; K63-T65 HydrophobicContact CG-CG2 4.16Å
64P51.6Low45.8Very low128 Ų128131.3 Ų131.383%0.83175%0.749SS**  trans-92.7120.9150.632.2-22.9000110.2
65T43.3Very low45.5Very low90 Ų90133.2 Ų133.255%0.55275%0.745SS**  trans-147.1115.2163.939.50000110.4K63K63-T65 HydrophobicContact CD-CG2 4.39Å; K63-T65 WeakPolarHBondContact CE-OG1 3.27Å; K63-T65 HydrophobicContact CG-CG2 4.16Å
66T46.3Very low46Very low144 Ų144132.4 Ų132.488%0.88375%0.754SS**  -172.999.6123.4250000110.7
67K44.6Very low45.9Very low164 Ų164130.4 Ų130.471%0.71374%0.74SS**  trans15.8128138.2-162.5179.8-169.5-173.10119.3T69K67-T69 HydrophobicContact CD-CG2 4.22Å; K67-T69 HydrophobicContact CG-CG2 4.3Å
68P51.3Low46Very low132 Ų132131.9 Ų131.986%0.85775%0.749SS**  trans-88.4123.1153.530.5-21.2000110.5
69T45.6Very low46.1Very low92 Ų92133.1 Ų133.156%0.56474%0.742SS**  trans-139.6117.9164.226.20000104.7K67K67-T69 HydrophobicContact CD-CG2 4.22Å; K67-T69 HydrophobicContact CG-CG2 4.3Å
70T43.7Very low46.7Very low133 Ų133131.1 Ų131.182%0.81675%0.747SS**  -172.7138.169350000111.3
71K44.7Very low46.4Very low167 Ų167129.9 Ų129.973%0.72674%0.737SS**  trans43.7120.6137.2-158.5173.2-177.8179.50121T73K71-T73 HydrophobicContact CD-CG2 4.49Å; K71-T73 HydrophobicContact CG-CG2 4.35Å
72P53.4Low46.7Very low127 Ų127131.2 Ų131.283%0.82575%0.745SS**  trans-88.2119.9158.832.4-24.7000110.4
73T44.5Very low46.8Very low93 Ų93132.1 Ų132.157%0.57174%0.737SS**  trans-151.2112164.335.10000108.3K71K71-T73 HydrophobicContact CD-CG2 4.49Å; K71-T73 HydrophobicContact CG-CG2 4.35Å
74T44.3Very low47.3Very low136 Ų136130.5 Ų130.583%0.83474%0.744SS**  177.3120.8100.2390000111.8
75K44.4Very low47.1Very low166 Ų166128.9 Ų128.972%0.72273%0.731SS**  trans64117.8133.2-152.5179.1-169-176.50120.5T77K75-T77 HydrophobicContact CD-CG2 3.96Å; K75-T77 HydrophobicContact CG-CG2 4.09Å
76P53.5Low47.3Very low131 Ų131131.6 Ų131.685%0.85175%0.748SS**  trans-86123.8155.232-24.6000110.5
77T46.1Very low47.3Very low91 Ų91132.7 Ų132.756%0.55874%0.741SS**  trans-141131.6167.534.70000104.5K75K75-T77 HydrophobicContact CD-CG2 3.96Å; K75-T77 HydrophobicContact CG-CG2 4.09Å
78T44.8Very low47.7Very low127 Ų127131 Ų13178%0.77975%0.746SS**  cis-171.2142.82211.90000107.8
79K45.4Very low47.5Very low168 Ų168129.3 Ų129.373%0.7373%0.734SS**  trans58.3122.2142.6-155.4177.3-171.2-177.60120.8T81K79-T81 HydrophobicContact CD-CG2 4.09Å; K79-T81 HydrophobicContact CG-CG2 4.19Å
80P54.8Low47.4Very low129 Ų129131.5 Ų131.584%0.83875%0.747SS**  trans-86.1123.7158.732.7-26.5000110.8
81T44.8Very low47.5Very low98 Ų98134 Ų13460%0.60175%0.746SS**  trans-147.7123.7168.635.70000104.1K79K79-T81 HydrophobicContact CD-CG2 4.09Å; K79-T81 HydrophobicContact CG-CG2 4.19Å
82T45.8Very low47.9Very low130 Ų130131.6 Ų131.680%0.79875%0.748SS**  cis-16413844.540.30000111.4
83K46.1Very low47.4Very low163 Ų163131.2 Ų131.271%0.70974%0.744SS**  trans42.4118.4134.7-155.8-179.7-167.2-175.50120T85K83-T85 HydrophobicContact CD-CG2 3.95Å; K83-T85 HydrophobicContact CG-CG2 4.1Å
84P54.2Low47.3Very low132 Ų132133.4 Ų133.486%0.85776%0.757SS**  trans-81118.715631.7-26.1000109.4
85T46.5Very low47.1Very low93 Ų93136.1 Ų136.157%0.57176%0.757SS**  trans-133.7106.9165.528.40000108.7K83K83-T85 HydrophobicContact CD-CG2 3.95Å; K83-T85 HydrophobicContact CG-CG2 4.1Å
86T47.5Very low47.7Very low147 Ų147132.7 Ų132.790%0.90275%0.752SS**  -167.6119.9120.222.20000110.6
87K46.1Very low47.1Very low168 Ų168133.1 Ų133.173%0.7375%0.752SS**  trans-36.5142.7168-173.9-177-173.4-177.20115.7T89K87-T89 HydrophobicContact CD-CG2 4.04Å; K87-T89 HydrophobicContact CG-CG2 4.18Å
88P55Low46.8Very low128 Ų128135.3 Ų135.383%0.83177%0.766SS**  trans-83.4124.1160.932.4-28.1000110.3
89T46.3Very low46.9Very low97 Ų97138.8 Ų138.860%0.59577%0.77SS**  trans-140.2122.6166.236.20000104.3K87K87-T89 HydrophobicContact CD-CG2 4.04Å; K87-T89 HydrophobicContact CG-CG2 4.18Å
90T44.2Very low47.4Very low137 Ų137135.3 Ų135.384%0.8476%0.764SS**  -159.4138.156.2400000113.1
91K44.5Very low46.7Very low185 Ų185135.3 Ų135.380%0.80476%0.763SS**  trans13.5138.8145-157.7175.5-179.2-178.40121.5
92P52.9Low46.6Very low117 Ų117137 Ų13776%0.7677%0.773SS**  trans-85.2143.9170.334.9-32.3000113
93T44.2Very low46.4Very low120 Ų120140.2 Ų140.274%0.73678%0.776SS**  trans-145130.7164.836.90000104.3
94T40.9Very low46.9Very low138 Ų138137.7 Ų137.785%0.84778%0.776SS**  cis-163.7147.714.618.90000106.3
95K41.6Very low46.2Very low193 Ų193137.8 Ų137.884%0.83977%0.774SS**  trans-103.2-175.9166.4-156.3-155.4170.1177.20107.5
96P55.8Low45.9Very low95 Ų95139.7 Ų139.762%0.61779%0.786SS**  -110.9168.7-66.725.2-8000112.6
97T41.8Very low45.8Very low139 Ų139142 Ų14285%0.85378%0.784SS**  trans-173.2128.1147.3150000104.5
98T40.5Very low46.1Very low137 Ų137138.6 Ų138.684%0.8478%0.778SS**  cis-157.615327.831.90000108.8
99K45.3Very low45.6Very low200 Ų200139.6 Ų139.687%0.8778%0.782SS**  trans-115.6-179.8167.2-156.2-152171.2-178.90106.8
100P56Low45.5Very low95 Ų95141.4 Ų141.462%0.61779%0.793SS**  -116.3160.8-68.729.4-14.1000113.4
101T41.3Very low45.5Very low130 Ų130143.9 Ų143.980%0.79879%0.793SS**  trans-160.4136.4151.937.90000105.9
102T42.2Very low45.8Very low132 Ų132140.7 Ų140.781%0.8179%0.791SS**  cis-169144.510.212.90000107.3
103K42.1Very low45.4Very low198 Ų198141.4 Ų141.486%0.86179%0.793SS**  trans15.7145.4155.9-153.4168-179.3-1760123
104P55.5Low45.7Very low110 Ų110141.5 Ų141.571%0.71479%0.794SS**  trans-94.6158.1-17338.7-34.1000114.4
105T40.6Very low46Very low134 Ų134140.8 Ų140.882%0.82279%0.791SS**  trans-176.4134.6165.316.40000104.4
106T39.8Very low46.4Very low133 Ų133140.8 Ų140.882%0.81679%0.791SS**  cis-164.6142.923.330.10000107.7
107K44.7Very low45.8Very low197 Ų197142.5 Ų142.586%0.85780%0.8SS**  trans-106.2167148.9-142.8-158.3167.6179.10105.5
108P52.7Low46.1Very low95 Ų95141.4 Ų141.462%0.61779%0.793SS**  cis-135.6165-5.638.6-21.3000114.9
109T43.9Very low46.8Very low149 Ų149140.1 Ų140.191%0.91479%0.787SS**  trans-146.9125.4149.713.90000112
110T45.2Very low46.8Very low135 Ų135136.8 Ų136.883%0.82878%0.784SS**  trans-73139.6174.838.20000112.5
111K44.9Very low46.5Very low190 Ų190138.4 Ų138.483%0.82679%0.792SS**  trans-144.5123.5144.1-166.2174-178-179.40110.1
112P50.5Low47Very low118 Ų118137.7 Ų137.777%0.76679%0.787SS**PPolyproline II helixtrans-74125.9171.9-7.123.5000109.4
113T44Very low47.3Very low132 Ų132136.7 Ų136.781%0.8178%0.783SS**PPolyproline II helixtrans-97.1119.2164.7-44.80000107.8
114T49.7Very low47.8Very low122 Ų122135.2 Ų135.275%0.74878%0.779SS**PPolyproline II helixtrans-56.9140.4176.833.20000111.8K116T114-K116 PolarHBondContact O-N 2.98Å
115P48.2Very low47.2Very low122 Ų122135.4 Ų135.479%0.79278%0.781SS**  trans-72.1113.2170.28.42.1000109.3T117P115-T117 PolarHBondContact O-N 3.25Å; P115-T117 VanDerWaalsContact O-N 3.15Å
116K49.9Very low47.2Very low193 Ų193134.4 Ų134.484%0.83977%0.774SS**  trans-71.7103.3166.5-174176.8-179.5179.60107.8T114 T118T114-K116 PolarHBondContact O-N 2.98Å; K116-T118 PolarHBondContact O-N 3.14Å
117T43.2Very low47.7Very low132 Ų132132.8 Ų132.881%0.8177%0.766SS**  trans-54.8106168.9-26.50000108.3P115P115-T117 PolarHBondContact O-N 3.25Å; P115-T117 VanDerWaalsContact O-N 3.15Å
118T48.4Very low47.9Very low115 Ų115129.4 Ų129.471%0.70676%0.764SS**  trans-82.5130.2168.8-52.60000106.3K116 T120K116-T118 PolarHBondContact O-N 3.14Å; T118-T120 PolarHBondContact O-N 3.26Å
119P54.2Low48.1Very low110 Ų110129.4 Ų129.471%0.71476%0.762SS**  trans-60.5127.9-179.822.9-31000109.8V121P119-V121 PolarHBondContact O-N 3.48Å
120T45.9Very low49.4Very low130 Ų130128.6 Ų128.680%0.79875%0.753SS**  trans-48.5105.4170-50.50000109.1T118 V122T118-T120 PolarHBondContact O-N 3.26Å; T120-V122 PolarHBondContact O-N 2.77Å
121V50.1Low51.5Low129 Ų129124.2 Ų124.278%0.78272%0.724SS**  trans-62109162.3177.40000105.4P119P119-V121 PolarHBondContact O-N 3.48Å
122V51.3Low53.8Low115 Ų115118.7 Ų118.770%0.69771%0.706SS**  trans-48.6127.4166.4-179.50000106.4T120 Q124T120-V122 PolarHBondContact O-N 2.77Å; V122-Q124 VanDerWaalsContact C-N 3.34Å; V122-Q124 PolarHBondContact O-N 3.02Å
123P48.1Very low56Low112 Ų112116.5 Ų116.573%0.72769%0.686SS**  trans-59.7103.8176.122.7-30.4000107.9
124Q52.3Low58.5Low166 Ų166110.3 Ų110.378%0.77665%0.648SS**PPolyproline II helixtrans-49.5137.5161.6-178.3176.5-18.200107.1V122 T126V122-Q124 VanDerWaalsContact C-N 3.34Å; V122-Q124 PolarHBondContact O-N 3.02Å; Q124-T126 PolarHBondContact O-N 2.91Å
125P43Very low60.7Low115 Ų115110 Ų11075%0.74764%0.641SS**PPolyproline II helixtrans-50116.1-179.818.2-31.1000108.9
126T40.4Very low63Low113 Ų113104.5 Ų104.569%0.69361%0.605SS**PPolyproline II helixtrans-49.2125.5173.8-47.60000106.8Q124Q124-T126 PolarHBondContact O-N 2.91Å
127P50.5Low65.2Low99 Ų9999.1 Ų99.164%0.64359%0.585SS**PPolyproline II helixtrans-53.4151.2176.120.6-30.4000109.2T129P127-T129 PolarHBondContact O-N 3.01Å
128P49Very low67.6Low126 Ų12693.3 Ų93.382%0.81855%0.55SS*.  trans-50113.7-178.721.5-32.2000108.1N130P128-N130 PolarHBondContact O-N 2.77Å
129T57.9Low69.7Low94 Ų9492.4 Ų92.458%0.57754%0.544SS*.  trans-53.6107.9-176.4-540000107.7P127 L131 I167P127-T129 PolarHBondContact O-N 3.01Å; T129-L131 PolarHBondContact O-N 2.85Å; T129-I167 HydrophobicContact CG2-CD1 3.45Å; T129-I167 VanDerWaalsContact CG2-CD1 3.45Å
130N69.9Low71.1Confident132 Ų13292.2 Ų92.271%0.70653%0.532SS*.  trans-64.2110.9-166.2-168.3-4.6000109.7P128 T132P128-N130 PolarHBondContact O-N 2.77Å; N130-T132 PolarHBondContact O-N 2.84Å; N130-T132 VanDerWaalsContact O-N 3.09Å; N130-T132 PolarHBondContact O-OG1 2.88Å
131L90.3Very high72.4Confident43 Ų4392.5 Ų92.523%0.22553%0.528CS..  trans-70.2103.6177.9-179.157.6000107.6T129 A152 K154 I167T129-L131 PolarHBondContact O-N 2.85Å; L131-A152 HydrophobicContact CD1-CB 3.83Å; L131-A152 HydrophobicContact CD2-CB 4.23Å; L131-A152 HydrophobicContact CG-CB 3.55Å; L131-K154 HydrophobicContact CD1-CB 4.34Å; L131-K154 HydrophobicContact CD2-CD 4.29Å; L131-I167 HydrophobicContact CD1-CG2 4.03Å
132T93.9Very high73.7Confident74 Ų7496.3 Ų96.345%0.45453%0.534SS..  trans-94.3133.4-170.3-52.40000111.2N130 A152 P170N130-T132 PolarHBondContact O-N 2.84Å; N130-T132 VanDerWaalsContact O-N 3.09Å; N130-T132 PolarHBondContact O-OG1 2.88Å; T132-A152 WeakPolarHBondContact O-CB 3.49Å; T132-P170 HydrophobicContact CG2-CG 4.3Å; T132-P170 WeakPolarHBondContact O-CG 3.35Å
133E95.7Very high75.1Confident73 Ų7393 Ų9334%0.34152%0.523SS..  trans-70.9130.4174.2-70.7172.9-150.800111.5Q150 A152 N266E133-Q150 PolarHBondContact OE2-NE2 2.79Å; E133-A152 HydrophobicContact CG-CB 4.15Å; E133-N266 HydrophobicContact CG-CB 3.94Å; E133-N266 WeakPolarHBondContact OE1-CB 3.49Å; E133-N266 VanDerWaalsContact OE1-CG 3.28Å; E133-N266 PolarHBondContact OE1-ND2 2.94Å
134G96.5Very high76.9Confident1 Ų191.4 Ų91.41%0.0151%0.512CS..EExtended strand (participates in β ladder)trans-105145.6171.200000111.6Q150 M151 P170G134-Q150 VanDerWaalsContact O-CA 3.28Å; G134-Q150 WeakPolarHBondContact O-CA 3.19Å; G134-M151 PolarHBondContact N-O 2.78Å; G134-M151 PolarHBondContact O-N 2.82Å; G134-P170 VanDerWaalsContact CA-CB 3.49Å; G134-P170 VanDerWaalsContact CA-CG 3.47Å
135N96.8Very high78.8Confident115 Ų11584 Ų8462%0.61548%0.478SS*.EExtended strand (participates in β ladder)trans-107.1116.2173.4-65.7-44.8000109.3Q150N135-Q150 VanDerWaalsContact OD1-CG 3.32Å; N135-Q150 WeakPolarHBondContact OD1-CG 3.15Å
136Y96.4Very high81.2Confident8 Ų878.9 Ų78.93%0.03145%0.445CS..EExtended strand (participates in β ladder)trans-123.2116.6-174.2-49.5-71.4000109.5M148 A149 M151 T173 A175 L188Y136-M148 CarbonylContact O-C 3.43Å; Y136-A149 HydrophobicContact CD2-CB 4.39Å; Y136-A149 WeakPolarHBondContact CD2-O 3.32Å; Y136-A149 PolarHBondContact N-O 2.85Å; Y136-A149 PolarHBondContact O-N 3.26Å; Y136-M151 HydrophobicContact CD2-CG 4.34Å; Y136-M151 HydrophobicContact CE2-CG 4.17Å; Y136-T173 HydrophobicContact CE1-CG2 4Å; Y136-A175 HydrophobicContact CD1-CB 4.06Å; Y136-A175 HydrophobicContact CG-CB 4.43Å; Y136-L188 HydrophobicContact CD1-CD1 4.49Å; Y136-L188 HydrophobicContact CD1-CD2 3.54Å; Y136-L188 HydrophobicContact CD2-CD1 4.1Å; Y136-L188 HydrophobicContact CD2-CD2 4.17Å; Y136-L188 HydrophobicContact CE1-CD1 4.29Å; Y136-L188 HydrophobicContact CE1-CD2 3.97Å; Y136-L188 HydrophobicContact CE2-CD1 3.89Å; Y136-L188 HydrophobicContact CG-CD1 4.39Å; Y136-L188 HydrophobicContact CG-CD2 3.63Å
137N95.1Very high83.9Confident79 Ų7973.6 Ų73.642%0.42241%0.412SS..EExtended strand (participates in β ladder)trans-123.1137.5-177.6-63.3-14.3000110V145 L147N137-V145 HydrophobicContact CB-CG1 4.47Å; N137-L147 CarbonylContact C-O 3.55Å; N137-L147 WeakPolarHBondContact CA-O 3.19Å
138L94.6Very high86Confident11 Ų1169.7 Ų69.76%0.05839%0.385CS..EExtended strand (participates in β ladder)trans-110.9131169.3-57.3179.9000109.1V145 C146 L147 A175 S176 N185 L186L138-V145 CarbonylContact O-C 3.53Å; L138-V145 WeakPolarHBondContact O-CA 3.15Å; L138-C146 PolarHBondContact O-N 2.78Å; L138-C146 PolarHBondContact O-SG 2.78Å; L138-C146 VanDerWaalsContact O-SG 3.41Å; L138-L147 HydrophobicContact CB-CB 4.1Å; L138-L147 HydrophobicContact CD1-CB 4.14Å; L138-L147 HydrophobicContact CD1-CD1 4.31Å; L138-L147 HydrophobicContact CG-CB 4.28Å; L138-L147 PolarHBondContact N-O 3.3Å; L138-L147 PolarHBondContact O-N 3.32Å; L138-A175 HydrophobicContact CD2-CB 4.49Å; L138-S176 VanDerWaalsContact CD2-C 3.46Å; L138-N185 WeakPolarHBondContact CD1-O 3.37Å; L138-L186 HydrophobicContact CD1-CB 4.22Å; L138-L186 HydrophobicContact CD1-CD1 3.96Å; L138-L186 HydrophobicContact CD2-CD1 3.93Å; L138-L186 HydrophobicContact CG-CD1 3.92Å
139T91.6Very high88.3Confident95 Ų9563.8 Ų63.858%0.58335%0.347SS*.EExtended strand (participates in β ladder)trans-107.2144.2176.652.10000110V144 V145T139-V144 WeakPolarHBondContact CA-O 3.5Å; T139-V145 HydrophobicContact CG2-CG2 3.89Å
140K83.3Confident90.2Very high107 Ų10762 Ų6247%0.46533%0.332SS..  trans-96.3171.2170-166.1168.9-179.4174.30109.5K142 G143 V144 C146K140-K142 PolarHBondContact O-N 2.96Å; K140-G143 PolarHBondContact O-N 3.45Å; K140-V144 PolarHBondContact N-O 2.98Å; K140-C146 HydrophobicContact CB-CB 4.37Å
141D74.3Confident91.5Very high136 Ų13655.7 Ų55.773%0.72730%0.298SS*.THydrogen-bonded Turntrans-42.3136170.5-54.5-48.1000111.1
142K77.1Confident91.8Very high208 Ų20853.7 Ų53.790%0.90429%0.288SS*.THydrogen-bonded Turntrans74.716-174.8-45.8175.5-179.2-179.90115.6K140 V144K140-K142 PolarHBondContact O-N 2.96Å; K142-V144 VanDerWaalsContact C-N 3.29Å; K142-V144 PolarHBondContact O-N 2.94Å
143G80.3Confident92Very high45 Ų4550.2 Ų50.246%0.46427%0.267SS..SBendtrans76.512.5168.900000114.8K140K140-G143 PolarHBondContact O-N 3.45Å
144V85.9Confident92Very high80 Ų8049.7 Ų49.749%0.48526%0.263SS..  trans-79.7123.3176.1179.90000108.7T139 K140 K142 C146T139-V144 WeakPolarHBondContact CA-O 3.5Å; K140-V144 PolarHBondContact N-O 2.98Å; K142-V144 VanDerWaalsContact C-N 3.29Å; K142-V144 PolarHBondContact O-N 2.94Å; V144-C146 PolarHBondContact O-N 2.89Å
145V92Very high92Very high10 Ų1049.6 Ų49.66%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-65.9133.5174.2179.10000109N137 L138 T139 L147 M148 V274 N277N137-V145 HydrophobicContact CB-CG1 4.47Å; L138-V145 CarbonylContact O-C 3.53Å; L138-V145 WeakPolarHBondContact O-CA 3.15Å; T139-V145 HydrophobicContact CG2-CG2 3.89Å; V145-L147 WeakPolarHBondContact CG1-O 3.32Å; V145-M148 HydrophobicContact CG1-CG 3.36Å; V145-M148 HydrophobicContact CG1-SD 4.1Å; V145-V274 HydrophobicContact CB-CB 4.45Å; V145-V274 HydrophobicContact CB-CG1 4.16Å; V145-V274 HydrophobicContact CG1-CB 4.34Å; V145-V274 HydrophobicContact CG1-CG1 4.09Å; V145-V274 HydrophobicContact CG1-CG2 4.36Å; V145-V274 WeakPolarHBondContact O-CB 3.41Å; V145-N277 HydrophobicContact CB-CB 4.45Å; V145-N277 WeakPolarHBondContact CB-OD1 3.03Å; V145-N277 HydrophobicContact CG2-CB 3.9Å; V145-N277 VanDerWaalsContact CG2-OD1 3.31Å; V145-N277 WeakPolarHBondContact CG2-OD1 3.07Å; V145-N277 PolarHBondContact N-OD1 3.32Å; V145-N277 VanDerWaalsContact N-OD1 3.15Å
146C93.5Very high91.9Very high8 Ų848.5 Ų48.55%0.05425%0.252CS..EExtended strand (participates in β ladder)trans-115.3-18.3179.968.20000112.7L138 K140 V144 C179 A271 F272L138-C146 PolarHBondContact O-N 2.78Å; L138-C146 PolarHBondContact O-SG 2.78Å; L138-C146 VanDerWaalsContact O-SG 3.41Å; K140-C146 HydrophobicContact CB-CB 4.37Å; V144-C146 PolarHBondContact O-N 2.89Å; C146-C179 HydrophobicContact CB-CB 3.41Å; C146-C179 VanDerWaalsContact CB-CB 3.41Å; C146-C179 WeakPolarHBondContact CB-SG 3.5Å; C146-C179 WeakPolarHBondContact SG-CB 3.37Å; C146-C179 CovalentContact SG-SG 2.03Å; C146-C179 PolarHBondContact SG-SG 3.46Å; C146-A271 CarbonylContact O-C 3.54Å; C146-F272 PolarHBondContact O-N 3.05Å
147L96.4Very high91.8Very high1 Ų148.5 Ų48.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-147.3132.7175-169153.5000109.1N137 L138 V145 A149 A184 L186 F199 Q270 A271N137-L147 CarbonylContact C-O 3.55Å; N137-L147 WeakPolarHBondContact CA-O 3.19Å; L138-L147 HydrophobicContact CB-CB 4.1Å; L138-L147 HydrophobicContact CD1-CB 4.14Å; L138-L147 HydrophobicContact CD1-CD1 4.31Å; L138-L147 HydrophobicContact CG-CB 4.28Å; L138-L147 PolarHBondContact N-O 3.3Å; L138-L147 PolarHBondContact O-N 3.32Å; V145-L147 WeakPolarHBondContact CG1-O 3.32Å; L147-A149 HydrophobicContact CD2-CB 4.16Å; L147-A184 HydrophobicContact CD1-CB 4.2Å; L147-L186 HydrophobicContact CD1-CB 4.22Å; L147-L186 HydrophobicContact CD2-CB 4.19Å; L147-L186 HydrophobicContact CD2-CD1 4.38Å; L147-L186 HydrophobicContact CD2-CD2 3.85Å; L147-L186 HydrophobicContact CD2-CG 4.36Å; L147-F199 HydrophobicContact CD1-CD2 3.68Å; L147-F199 HydrophobicContact CD1-CE2 3.78Å; L147-F199 HydrophobicContact CD1-CG 4.47Å; L147-Q270 CarbonylContact C-O 3.53Å; L147-Q270 VanDerWaalsContact CA-O 3.28Å; L147-Q270 WeakPolarHBondContact CA-O 3.44Å; L147-A271 HydrophobicContact CD1-CB 4.08Å; L147-A271 HydrophobicContact CG-CB 4.2Å
148M96.1Very high91.8Very high18 Ų1847.9 Ų47.99%0.08926%0.255CS..EExtended strand (participates in β ladder)trans-125.5137.9171.8-65.1-177.672.700109.3Y136 V145 L269 Q270 V274 F279Y136-M148 CarbonylContact O-C 3.43Å; V145-M148 HydrophobicContact CG1-CG 3.36Å; V145-M148 HydrophobicContact CG1-SD 4.1Å; M148-L269 WeakPolarHBondContact O-CA 3.47Å; M148-Q270 PolarHBondContact N-O 2.88Å; M148-Q270 PolarHBondContact O-N 2.87Å; M148-V274 HydrophobicContact CG-CG1 4.13Å; M148-V274 HydrophobicContact CG-CG2 4.3Å; M148-V274 HydrophobicContact SD-CG1 3.54Å; M148-V274 VanDerWaalsContact SD-CG1 3.54Å; M148-F279 HydrophobicContact CB-CD1 4.08Å; M148-F279 HydrophobicContact CB-CE1 3.43Å; M148-F279 VanDerWaalsContact CB-CE1 3.43Å; M148-F279 HydrophobicContact CB-CE2 4.44Å; M148-F279 HydrophobicContact CB-CZ 3.64Å; M148-F279 HydrophobicContact CE-CD2 4.25Å; M148-F279 HydrophobicContact CE-CE2 4.16Å; M148-F279 HydrophobicContact CE-CZ 4.47Å
149A97.3Very high91.5Very high1 Ų149.5 Ų49.51%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-143.8113.6-179.100000109.1Y136 L147 M151 L186 L269Y136-A149 HydrophobicContact CD2-CB 4.39Å; Y136-A149 WeakPolarHBondContact CD2-O 3.32Å; Y136-A149 PolarHBondContact N-O 2.85Å; Y136-A149 PolarHBondContact O-N 3.26Å; L147-A149 HydrophobicContact CD2-CB 4.16Å; A149-M151 HydrophobicContact CB-CE 3.44Å; A149-M151 VanDerWaalsContact CB-CE 3.44Å; A149-L186 HydrophobicContact CB-CD2 3.83Å; A149-L269 HydrophobicContact CB-CD2 4.33Å; A149-L269 HydrophobicContact CB-CG 4.34Å
150Q97.4Very high91.1Very high56 Ų5653.9 Ų53.926%0.26228%0.281SS..EExtended strand (participates in β ladder)trans-106.7119.4167.2179.4173.31.900107.3E133 G134 N135 N267 R268 F279E133-Q150 PolarHBondContact OE2-NE2 2.79Å; G134-Q150 VanDerWaalsContact O-CA 3.28Å; G134-Q150 WeakPolarHBondContact O-CA 3.19Å; N135-Q150 VanDerWaalsContact OD1-CG 3.32Å; N135-Q150 WeakPolarHBondContact OD1-CG 3.15Å; Q150-N267 CarbonylContact O-C 3.52Å; Q150-N267 VanDerWaalsContact O-CA 3.28Å; Q150-N267 WeakPolarHBondContact O-CA 3.28Å; Q150-R268 HydrophobicContact CB-CB 4.37Å; Q150-R268 PolarHBondContact N-O 2.79Å; Q150-R268 PolarHBondContact O-N 3.42Å; Q150-F279 HydrophobicContact CB-CE2 4.16Å; Q150-F279 HydrophobicContact CB-CZ 4.14Å
151M97.1Very high90.8Very high0 Ų057.7 Ų57.70%030%0.297CS..EExtended strand (participates in β ladder)trans-166.8150.1179.847.4179.914300111.8G134 Y136 A149 L153 L186 F197 V264 N267 L269G134-M151 PolarHBondContact N-O 2.78Å; G134-M151 PolarHBondContact O-N 2.82Å; Y136-M151 HydrophobicContact CD2-CG 4.34Å; Y136-M151 HydrophobicContact CE2-CG 4.17Å; A149-M151 HydrophobicContact CB-CE 3.44Å; A149-M151 VanDerWaalsContact CB-CE 3.44Å; M151-L153 HydrophobicContact CG-CD1 4.41Å; M151-L153 HydrophobicContact CG-CD2 4.33Å; M151-L153 HydrophobicContact CG-CG 4.21Å; M151-L153 HydrophobicContact SD-CD1 4.18Å; M151-L153 HydrophobicContact SD-CD2 3.74Å; M151-L153 HydrophobicContact SD-CG 4.15Å; M151-L186 HydrophobicContact CE-CD2 4.07Å; M151-F197 HydrophobicContact CE-CE2 4.24Å; M151-F197 HydrophobicContact CE-CZ 4.29Å; M151-F197 HydrophobicContact SD-CZ 4.24Å; M151-V264 HydrophobicContact CB-CG1 3.75Å; M151-V264 HydrophobicContact CG-CG1 4.38Å; M151-V264 HydrophobicContact SD-CG1 3.79Å; M151-N267 HydrophobicContact CB-CB 4.04Å; M151-L269 HydrophobicContact CE-CD2 3.72Å; M151-L269 HydrophobicContact CE-CG 4.39Å; M151-L269 HydrophobicContact SD-CD2 4.41Å
152A97Very high91.3Very high1 Ų152.4 Ų52.41%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-102.1134.5166.600000109.9L131 T132 E133 V264 S265L131-A152 HydrophobicContact CD1-CB 3.83Å; L131-A152 HydrophobicContact CD2-CB 4.23Å; L131-A152 HydrophobicContact CG-CB 3.55Å; T132-A152 WeakPolarHBondContact O-CB 3.49Å; E133-A152 HydrophobicContact CG-CB 4.15Å; A152-V264 WeakPolarHBondContact O-CA 3.41Å; A152-S265 PolarHBondContact N-O 3.03Å; A152-S265 PolarHBondContact O-N 2.85Å
153L97.3Very high92Very high1 Ų148.1 Ų48.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-124.1134.4-168.2-66.6170.8000111.4M151 I168 L188 I195 F197 L262 V264M151-L153 HydrophobicContact CG-CD1 4.41Å; M151-L153 HydrophobicContact CG-CD2 4.33Å; M151-L153 HydrophobicContact CG-CG 4.21Å; M151-L153 HydrophobicContact SD-CD1 4.18Å; M151-L153 HydrophobicContact SD-CD2 3.74Å; M151-L153 HydrophobicContact SD-CG 4.15Å; L153-I168 HydrophobicContact CB-CB 3.98Å; L153-I168 HydrophobicContact CB-CD1 3.92Å; L153-I168 HydrophobicContact CB-CG1 4.12Å; L153-I168 WeakPolarHBondContact O-CD1 3.28Å; L153-I168 PolarHBondContact O-N 2.83Å; L153-L188 HydrophobicContact CD1-CD1 3.43Å; L153-L188 VanDerWaalsContact CD1-CD1 3.43Å; L153-I195 HydrophobicContact CD1-CD1 4.42Å; L153-F197 HydrophobicContact CD1-CZ 4.33Å; L153-F197 HydrophobicContact CD2-CZ 4.22Å; L153-L262 HydrophobicContact CD2-CD1 4.22Å; L153-V264 HydrophobicContact CD2-CB 4.17Å; L153-V264 HydrophobicContact CD2-CG1 3.83Å; L153-V264 HydrophobicContact CD2-CG2 3.75Å
154K95.8Very high92.6Very high62 Ų6246.6 Ų46.627%0.2725%0.246SC..EExtended strand (participates in β ladder)trans-138.2138.5167.266.4-173.4-179.1-158.80110.5L131 T165 F166 I167 E263L131-K154 HydrophobicContact CD1-CB 4.34Å; L131-K154 HydrophobicContact CD2-CD 4.29Å; K154-T165 HydrophobicContact CB-CG2 4.13Å; K154-T165 HydrophobicContact CD-CG2 4.46Å; K154-F166 CarbonylContact C-O 3.6Å; K154-F166 VanDerWaalsContact CA-O 3.32Å; K154-F166 WeakPolarHBondContact CA-O 3.28Å; K154-I167 HydrophobicContact CB-CG1 4.07Å; K154-E263 HydrophobicContact CD-CB 4.13Å; K154-E263 HydrophobicContact CD-CG 4.45Å; K154-E263 HydrophobicContact CG-CB 3.56Å; K154-E263 HydrophobicContact CG-CG 4.07Å; K154-E263 PolarHBondContact N-O 2.87Å; K154-E263 PolarHBondContact O-N 2.93Å
155I96.3Very high93.1Very high0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-96.4126170.8-65.6164.7000107.2T165 F166 I168 I195 F215 L217 L260 S261 L262I155-T165 CarbonylContact O-C 3.59Å; I155-T165 VanDerWaalsContact O-CA 3.29Å; I155-T165 WeakPolarHBondContact O-CA 3.41Å; I155-F166 HydrophobicContact CB-CB 4.49Å; I155-F166 HydrophobicContact CD1-CD1 4.39Å; I155-F166 PolarHBondContact N-O 2.77Å; I155-F166 PolarHBondContact O-N 3.01Å; I155-I168 HydrophobicContact CD1-CD1 4.2Å; I155-I168 HydrophobicContact CG1-CD1 4.05Å; I155-I195 HydrophobicContact CD1-CD1 4.21Å; I155-I195 HydrophobicContact CD1-CG1 4.43Å; I155-F215 HydrophobicContact CD1-CD2 3.93Å; I155-F215 HydrophobicContact CD1-CE2 4.23Å; I155-F215 HydrophobicContact CD1-CG 4.22Å; I155-F215 HydrophobicContact CG2-CE2 4.28Å; I155-F215 HydrophobicContact CG2-CZ 4.14Å; I155-L217 HydrophobicContact CD1-CD2 4.1Å; I155-L217 HydrophobicContact CG2-CD2 4.24Å; I155-L260 HydrophobicContact CG2-CD2 3.98Å; I155-S261 WeakPolarHBondContact CA-O 3.41Å; I155-L262 HydrophobicContact CG1-CD1 3.9Å
156K95.3Very high93.2Very high91 Ų9146.4 Ų46.440%0.39624%0.244SC..EExtended strand (participates in β ladder)trans-113.1132.6177.7-176.3-178.8176.8-174.80109.3G164 L260 S261 E263K156-G164 WeakPolarHBondContact CA-O 3.38Å; K156-L260 CarbonylContact O-C 3.54Å; K156-L260 VanDerWaalsContact O-CA 3.32Å; K156-L260 WeakPolarHBondContact O-CA 3.46Å; K156-S261 PolarHBondContact N-O 2.92Å; K156-S261 PolarHBondContact O-N 3.43Å; K156-E263 HydrophobicContact CB-CG 4.49Å
157L95.1Very high93.4Very high9 Ų948 Ų485%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-104.6125.5165.6175.868000107.9N163 G164 L221 T222 Y229 G259 L260L157-N163 CarbonylContact O-C 3.59Å; L157-N163 VanDerWaalsContact O-CA 3.25Å; L157-N163 WeakPolarHBondContact O-CA 3.48Å; L157-G164 PolarHBondContact N-O 3.28Å; L157-G164 PolarHBondContact O-N 2.85Å; L157-L221 HydrophobicContact CB-CB 4.37Å; L157-L221 HydrophobicContact CB-CD1 3.87Å; L157-L221 HydrophobicContact CD2-CB 3.96Å; L157-L221 HydrophobicContact CD2-CD1 4.39Å; L157-T222 HydrophobicContact CD2-CG2 3.6Å; L157-Y229 HydrophobicContact CD2-CE1 4.17Å; L157-G259 CarbonylContact C-O 3.56Å; L157-G259 WeakPolarHBondContact CA-O 3.48Å; L157-L260 HydrophobicContact CB-CD2 3.91Å; L157-L260 HydrophobicContact CD1-CD2 3.92Å; L157-L260 HydrophobicContact CD1-CG 3.82Å; L157-L260 HydrophobicContact CG-CD2 4.49Å
158S93.3Very high93.3Very high65 Ų6548 Ų4846%0.45525%0.251SS..EExtended strand (participates in β ladder)trans-131.497.2172.9-171.10000108.2N163 G259S158-N163 WeakPolarHBondContact CA-OD1 3.33Å; S158-G259 PolarHBondContact N-O 3.04Å; S158-G259 VanDerWaalsContact O-CA 3.27Å; S158-G259 WeakPolarHBondContact O-CA 3.36Å
159S88.6Confident93.3Very high46 Ų4652.7 Ų52.732%0.32227%0.271SS..EExtended strand (participates in β ladder)trans-142.9163.9-174.6-173.70000111.2K161 G162 N163S159-K161 PolarHBondContact O-N 2.79Å; S159-K161 VanDerWaalsContact O-N 3.15Å; S159-G162 PolarHBondContact N-O 3.09Å; S159-G162 CarbonylContact O-C 3.59Å; S159-G162 PolarHBondContact O-N 2.75Å; S159-G162 VanDerWaalsContact O-N 3.08Å; S159-N163 PolarHBondContact N-OD1 3.01Å
160Q83.3Confident93.3Very high187 Ų18754 Ų5487%0.87428%0.28SS*.THydrogen-bonded Turntrans-58.6-26.1173.6-62.6-68.42.700112.4G162Q160-G162 VanDerWaalsContact C-N 3.3Å
161K78Confident93.2Very high186 Ų18658 Ų5881%0.80930%0.303SS*.THydrogen-bonded Turntrans-81.7-6.4-179.7-63-178.7-179.8178.30113.7S159S159-K161 PolarHBondContact O-N 2.79Å; S159-K161 VanDerWaalsContact O-N 3.15Å
162G84.1Confident93.1Very high25 Ų2562.7 Ų62.726%0.25833%0.325SS..EExtended strand (participates in β ladder)trans137.8165.6-178.400000112.8S159 Q160S159-G162 PolarHBondContact N-O 3.09Å; S159-G162 CarbonylContact O-C 3.59Å; S159-G162 PolarHBondContact O-N 2.75Å; S159-G162 VanDerWaalsContact O-N 3.08Å; Q160-G162 VanDerWaalsContact C-N 3.3Å
163N92.6Very high93.1Very high118 Ų11863.4 Ų63.463%0.63133%0.329SS*.EExtended strand (participates in β ladder)trans-116.2142.7178.4-64.3-17.9000109.6L157 S158 S159L157-N163 CarbonylContact O-C 3.59Å; L157-N163 VanDerWaalsContact O-CA 3.25Å; L157-N163 WeakPolarHBondContact O-CA 3.48Å; S158-N163 WeakPolarHBondContact CA-OD1 3.33Å; S159-N163 PolarHBondContact N-OD1 3.01Å
164G93Very high93.1Very high13 Ų1367.8 Ų67.813%0.13436%0.356CS..EExtended strand (participates in β ladder)trans-153.7159.4-178.700000111.9K156 L157 L221K156-G164 WeakPolarHBondContact CA-O 3.38Å; L157-G164 PolarHBondContact N-O 3.28Å; L157-G164 PolarHBondContact O-N 2.85Å; G164-L221 WeakPolarHBondContact CA-O 3.5Å
165T95Very high93.2Very high70 Ų7066.6 Ų66.643%0.42936%0.358SS..EExtended strand (participates in β ladder)trans-140.4135.2172.6-57.70000109.4K154 I155 I167K154-T165 HydrophobicContact CB-CG2 4.13Å; K154-T165 HydrophobicContact CD-CG2 4.46Å; I155-T165 CarbonylContact O-C 3.59Å; I155-T165 VanDerWaalsContact O-CA 3.29Å; I155-T165 WeakPolarHBondContact O-CA 3.41Å; T165-I167 HydrophobicContact CG2-CG1 4.26Å
166F95.4Very high93.2Very high16 Ų1669.2 Ų69.27%0.0738%0.376CS..EExtended strand (participates in β ladder)trans-118.3119171177-100.4000108.5K154 I155 I168 F190 Q192 L217 Y219 L221K154-F166 CarbonylContact C-O 3.6Å; K154-F166 VanDerWaalsContact CA-O 3.32Å; K154-F166 WeakPolarHBondContact CA-O 3.28Å; I155-F166 HydrophobicContact CB-CB 4.49Å; I155-F166 HydrophobicContact CD1-CD1 4.39Å; I155-F166 PolarHBondContact N-O 2.77Å; I155-F166 PolarHBondContact O-N 3.01Å; F166-I168 HydrophobicContact CD1-CD1 3.99Å; F166-I168 HydrophobicContact CD1-CG1 4.33Å; F166-I168 HydrophobicContact CE1-CD1 4.23Å; F166-I168 HydrophobicContact CE1-CG1 4.05Å; F166-F190 AromaticContact CE1-CD2 3.91Å; F166-F190 HydrophobicContact CE1-CD2 3.91Å; F166-F190 AromaticContact CE1-CE2 3.54Å; F166-F190 HydrophobicContact CE1-CE2 3.54Å; F166-F190 HydrophobicContact CE1-CZ 4.03Å; F166-F190 AromaticContact CZ-CD2 3.97Å; F166-F190 HydrophobicContact CZ-CD2 3.97Å; F166-F190 AromaticContact CZ-CE2 3.99Å; F166-F190 HydrophobicContact CZ-CE2 3.99Å; F166-Q192 HydrophobicContact CE2-CB 4.33Å; F166-Q192 HydrophobicContact CE2-CG 3.97Å; F166-Q192 HydrophobicContact CZ-CB 4.09Å; F166-Q192 HydrophobicContact CZ-CG 4.09Å; F166-L217 HydrophobicContact CB-CD2 4.01Å; F166-L217 HydrophobicContact CD1-CD1 3.71Å; F166-L217 HydrophobicContact CD1-CD2 4.27Å; F166-L217 HydrophobicContact CD2-CD1 4.35Å; F166-L217 HydrophobicContact CE1-CD1 3.8Å; F166-L217 HydrophobicContact CE2-CD1 4.44Å; F166-L217 HydrophobicContact CG-CD1 3.99Å; F166-L217 HydrophobicContact CG-CD2 4.19Å; F166-L217 HydrophobicContact CZ-CD1 4.18Å; F166-Y219 HydrophobicContact CB-CD1 4.28Å; F166-Y219 HydrophobicContact CB-CE1 4.48Å; F166-Y219 AromaticContact CD2-CD1 3.98Å; F166-Y219 HydrophobicContact CD2-CD1 3.98Å; F166-Y219 AromaticContact CD2-CD2 3.59Å; F166-Y219 HydrophobicContact CD2-CD2 3.59Å; F166-Y219 HydrophobicContact CD2-CE1 4.04Å; F166-Y219 AromaticContact CD2-CE2 3.65Å; F166-Y219 HydrophobicContact CD2-CE2 3.65Å; F166-Y219 AromaticContact CD2-CG 3.76Å; F166-Y219 HydrophobicContact CD2-CG 3.76Å; F166-Y219 AromaticContact CD2-CZ 3.87Å; F166-Y219 AromaticContact CE2-CD2 3.78Å; F166-Y219 HydrophobicContact CE2-CD2 3.78Å; F166-Y219 AromaticContact CE2-CE2 3.87Å; F166-Y219 HydrophobicContact CE2-CE2 3.87Å; F166-Y219 HydrophobicContact CE2-CG 4.33Å; F166-Y219 HydrophobicContact CG-CG 4.47Å; F166-L221 HydrophobicContact CB-CD2 3.88Å
167I96.1Very high93.3Very high41 Ų4166.9 Ų66.921%0.2138%0.378CS..EExtended strand (participates in β ladder)trans-94.8126.3178.4-65169000108.1T129 L131 K154 T165T129-I167 HydrophobicContact CG2-CD1 3.45Å; T129-I167 VanDerWaalsContact CG2-CD1 3.45Å; L131-I167 HydrophobicContact CD1-CG2 4.03Å; K154-I167 HydrophobicContact CB-CG1 4.07Å; T165-I167 HydrophobicContact CG2-CG1 4.26Å
168I96.1Very high93.2Very high1 Ų170.6 Ų70.61%0.00540%0.395CS..PPolyproline II helixtrans-79.4125.3177.3-64.672.3000107.1L153 I155 F166 P170 T173 F190 I195L153-I168 HydrophobicContact CB-CB 3.98Å; L153-I168 HydrophobicContact CB-CD1 3.92Å; L153-I168 HydrophobicContact CB-CG1 4.12Å; L153-I168 WeakPolarHBondContact O-CD1 3.28Å; L153-I168 PolarHBondContact O-N 2.83Å; I155-I168 HydrophobicContact CD1-CD1 4.2Å; I155-I168 HydrophobicContact CG1-CD1 4.05Å; F166-I168 HydrophobicContact CD1-CD1 3.99Å; F166-I168 HydrophobicContact CD1-CG1 4.33Å; F166-I168 HydrophobicContact CE1-CD1 4.23Å; F166-I168 HydrophobicContact CE1-CG1 4.05Å; I168-P170 WeakPolarHBondContact O-CD 3.38Å; I168-T173 HydrophobicContact CG2-CG2 4.27Å; I168-T173 VanDerWaalsContact CG2-OG1 3.32Å; I168-T173 WeakPolarHBondContact CG2-OG1 3.35Å; I168-F190 HydrophobicContact CG1-CD1 4.41Å; I168-F190 HydrophobicContact CG1-CE1 4Å; I168-F190 HydrophobicContact CG1-CZ 4.36Å; I168-F190 HydrophobicContact CG2-CD1 4.1Å; I168-F190 HydrophobicContact CG2-CE1 4.43Å; I168-I195 HydrophobicContact CD1-CD1 4.04Å; I168-I195 HydrophobicContact CG1-CD1 3.93Å
169K96Very high93.3Very high117 Ų11768.3 Ų68.351%0.50938%0.379SS..PPolyproline II helixtrans-94.9117.2178.8-65.8-174.9179.8176.90110.1N171 Q172 T173K169-N171 VanDerWaalsContact C-N 3.29Å; K169-N171 WeakPolarHBondContact CB-OD1 3.19Å; K169-N171 PolarHBondContact O-N 2.89Å; K169-Q172 HydrophobicContact CB-CB 4.42Å; K169-Q172 PolarHBondContact O-N 3.45Å; K169-T173 PolarHBondContact O-N 2.92Å; K169-T173 PolarHBondContact O-OG1 2.89Å
170P95.9Very high93.5Very high28 Ų2871.6 Ų71.618%0.18239%0.387CS..G310 helixtrans-57.9-38.5-176.8-27.635.3000114T132 G134 I168 Q172 T173T132-P170 HydrophobicContact CG2-CG 4.3Å; T132-P170 WeakPolarHBondContact O-CG 3.35Å; G134-P170 VanDerWaalsContact CA-CB 3.49Å; G134-P170 VanDerWaalsContact CA-CG 3.47Å; I168-P170 WeakPolarHBondContact O-CD 3.38Å; P170-Q172 PolarHBondContact O-N 3.49Å; P170-Q172 VanDerWaalsContact O-N 3.15Å; P170-T173 PolarHBondContact O-N 2.78Å; P170-T173 VanDerWaalsContact O-N 3.11Å
171N95.6Very high93.8Very high140 Ų14070.4 Ų70.475%0.74938%0.382SS*.G310 helixtrans-66.7-13179.367.7-25.2000114.5K169K169-N171 VanDerWaalsContact C-N 3.29Å; K169-N171 WeakPolarHBondContact CB-OD1 3.19Å; K169-N171 PolarHBondContact O-N 2.89Å
172Q95.3Very high94.6Very high100 Ų10064.7 Ų64.747%0.46736%0.363SS..G310 helixtrans-116.115.7177.5-63.7-176.8-41.100111.8K169 P170K169-Q172 HydrophobicContact CB-CB 4.42Å; K169-Q172 PolarHBondContact O-N 3.45Å; P170-Q172 PolarHBondContact O-N 3.49Å; P170-Q172 VanDerWaalsContact O-N 3.15Å
173T97.6Very high95.1Very high16 Ų1669 Ų6910%0.09837%0.374CS..  trans-123.2129.3-175-58.20000109.9Y136 I168 K169 P170 L188 T189 F190Y136-T173 HydrophobicContact CE1-CG2 4Å; I168-T173 HydrophobicContact CG2-CG2 4.27Å; I168-T173 VanDerWaalsContact CG2-OG1 3.32Å; I168-T173 WeakPolarHBondContact CG2-OG1 3.35Å; K169-T173 PolarHBondContact O-N 2.92Å; K169-T173 PolarHBondContact O-OG1 2.89Å; P170-T173 PolarHBondContact O-N 2.78Å; P170-T173 VanDerWaalsContact O-N 3.11Å; T173-L188 HydrophobicContact CG2-CB 3.75Å; T173-T189 CarbonylContact C-O 3.58Å; T173-T189 WeakPolarHBondContact CA-O 3.43Å; T173-F190 HydrophobicContact CG2-CD1 4.36Å
174T97.3Very high95.3Very high93 Ų9363.5 Ų63.557%0.57135%0.345SS*.EExtended strand (participates in β ladder)trans-106.7129.5175.557.20000110.5T189T174-T189 PolarHBondContact N-O 2.76Å; T174-T189 PolarHBondContact O-N 2.96Å; T174-T189 PolarHBondContact OG1-O 2.8Å
175A97.4Very high95.5Very high37 Ų3764.7 Ų64.731%0.30635%0.349SS..EExtended strand (participates in β ladder)trans-86137.3172.600000111.3Y136 L138 L186 L188Y136-A175 HydrophobicContact CD1-CB 4.06Å; Y136-A175 HydrophobicContact CG-CB 4.43Å; L138-A175 HydrophobicContact CD2-CB 4.49Å; A175-L186 HydrophobicContact CB-CD1 3.96Å; A175-L188 HydrophobicContact CB-CD2 3.83Å
176S96.8Very high95.6Very high55 Ų5561.4 Ų61.439%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-146163.4175.759.60000109.5L138 T187L138-S176 VanDerWaalsContact CD2-C 3.46Å; S176-T187 PolarHBondContact N-O 2.97Å; S176-T187 PolarHBondContact O-N 2.85Å; S176-T187 PolarHBondContact OG-O 2.86Å; S176-T187 VanDerWaalsContact OG-O 3.14Å
177G95.9Very high95.8Very high42 Ų4261.8 Ų61.843%0.43333%0.332SS..EExtended strand (participates in β ladder)trans153-171.5179.200000113.4N185G177-N185 WeakPolarHBondContact CA-O 3.38Å; G177-N185 WeakPolarHBondContact CA-OD1 3.33Å
178E94.6Very high95.9Very high87 Ų8759.9 Ų59.941%0.40732%0.322SS..EExtended strand (participates in β ladder)trans-140.8147.2-177.852.3164.9-160.500110.9K180 A184 N185E178-K180 WeakPolarHBondContact OE1-CE 3.21Å; E178-K180 IonicContact OE1-NZ 2.7Å; E178-K180 PolarHBondContact OE1-NZ 3.45Å; E178-K180 WeakPolarHBondContact OE2-CE 3.28Å; E178-K180 IonicContact OE2-NZ 3Å; E178-K180 PolarHBondContact OE2-NZ 3Å; E178-A184 CarbonylContact O-C 3.56Å; E178-A184 WeakPolarHBondContact O-CA 3.05Å; E178-N185 WeakPolarHBondContact CG-OD1 3.46Å; E178-N185 PolarHBondContact N-O 3.04Å; E178-N185 PolarHBondContact N-OD1 2.77Å; E178-N185 PolarHBondContact O-N 2.83Å
179C94Very high96Very high17 Ų1762.5 Ų62.512%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-120.7104.7173-59.60000110.2C146 A184C146-C179 HydrophobicContact CB-CB 3.41Å; C146-C179 VanDerWaalsContact CB-CB 3.41Å; C146-C179 WeakPolarHBondContact CB-SG 3.5Å; C146-C179 WeakPolarHBondContact SG-CB 3.37Å; C146-C179 CovalentContact SG-SG 2.03Å; C146-C179 PolarHBondContact SG-SG 3.46Å; C179-A184 HydrophobicContact CB-CB 4.33Å
180K92.9Very high96Very high114 Ų11457.6 Ų57.650%0.49632%0.317SS..  trans-89.2-178.8169.3-66.3168.5173.4151.40109.5E178 T182 K183E178-K180 WeakPolarHBondContact OE1-CE 3.21Å; E178-K180 IonicContact OE1-NZ 2.7Å; E178-K180 PolarHBondContact OE1-NZ 3.45Å; E178-K180 WeakPolarHBondContact OE2-CE 3.28Å; E178-K180 IonicContact OE2-NZ 3Å; E178-K180 PolarHBondContact OE2-NZ 3Å; K180-T182 VanDerWaalsContact C-N 3.35Å; K180-T182 PolarHBondContact O-N 2.7Å; K180-K183 CarbonylContact C-O 3.6Å; K180-K183 WeakPolarHBondContact CA-O 3.28Å; K180-K183 VanDerWaalsContact CB-O 3.32Å; K180-K183 WeakPolarHBondContact CB-O 3.47Å; K180-K183 PolarHBondContact N-O 3.23Å
181E90.8Very high96.1Very high163 Ų16364.2 Ų64.276%0.76235%0.345SS*.SBendtrans-64-38.8-176.9-64.1-175.6169.600113.3
182T94.1Very high96.1Very high66 Ų6660.5 Ų60.541%0.40532%0.324SS..SBendtrans-121.7-10.3-174.656.70000114.4K180 N200 K201K180-T182 VanDerWaalsContact C-N 3.35Å; K180-T182 PolarHBondContact O-N 2.7Å; T182-N200 CarbonylContact O-C 3.59Å; T182-N200 WeakPolarHBondContact O-CA 3.43Å; T182-K201 PolarHBondContact O-N 2.87Å
183K95.4Very high96.2Very high115 Ų11556.3 Ų56.350%0.531%0.308SS..EExtended strand (participates in β ladder)trans-133.1140.1179.2-61.9-173.2178.8-179.30110.5K180 F199K180-K183 CarbonylContact C-O 3.6Å; K180-K183 WeakPolarHBondContact CA-O 3.28Å; K180-K183 VanDerWaalsContact CB-O 3.32Å; K180-K183 WeakPolarHBondContact CB-O 3.47Å; K180-K183 PolarHBondContact N-O 3.23Å; K183-F199 WeakPolarHBondContact CA-O 3.27Å
184A96.4Very high96.2Very high2 Ų259.5 Ų59.52%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-135.8144.6170.500000109.2L147 E178 C179 F199 F272L147-A184 HydrophobicContact CD1-CB 4.2Å; E178-A184 CarbonylContact O-C 3.56Å; E178-A184 WeakPolarHBondContact O-CA 3.05Å; C179-A184 HydrophobicContact CB-CB 4.33Å; A184-F199 HydrophobicContact CB-CB 4.37Å; A184-F199 PolarHBondContact N-O 2.98Å; A184-F199 PolarHBondContact O-N 2.9Å; A184-F272 HydrophobicContact CB-CE1 3.92Å; A184-F272 HydrophobicContact CB-CZ 4.03Å
185N96.9Very high96.2Very high39 Ų3955 Ų5521%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-120.8145.4171.465.913.3000110.3L138 G177 E178 F197 L198L138-N185 WeakPolarHBondContact CD1-O 3.37Å; G177-N185 WeakPolarHBondContact CA-O 3.38Å; G177-N185 WeakPolarHBondContact CA-OD1 3.33Å; E178-N185 WeakPolarHBondContact CG-OD1 3.46Å; E178-N185 PolarHBondContact N-O 3.04Å; E178-N185 PolarHBondContact N-OD1 2.77Å; E178-N185 PolarHBondContact O-N 2.83Å; N185-F197 CarbonylContact C-O 3.58Å; N185-F197 VanDerWaalsContact CA-O 3.28Å; N185-F197 WeakPolarHBondContact CA-O 3.5Å; N185-L198 HydrophobicContact CB-CD1 4.19Å
186L97.8Very high96.3Very high0 Ų054.5 Ų54.50%029%0.286CS..EExtended strand (participates in β ladder)trans-125.7114.5171.1171.567.7000107.3L138 L147 A149 M151 A175 L188 T196 F197 F199L138-L186 HydrophobicContact CD1-CB 4.22Å; L138-L186 HydrophobicContact CD1-CD1 3.96Å; L138-L186 HydrophobicContact CD2-CD1 3.93Å; L138-L186 HydrophobicContact CG-CD1 3.92Å; L147-L186 HydrophobicContact CD1-CB 4.22Å; L147-L186 HydrophobicContact CD2-CB 4.19Å; L147-L186 HydrophobicContact CD2-CD1 4.38Å; L147-L186 HydrophobicContact CD2-CD2 3.85Å; L147-L186 HydrophobicContact CD2-CG 4.36Å; A149-L186 HydrophobicContact CB-CD2 3.83Å; M151-L186 HydrophobicContact CE-CD2 4.07Å; A175-L186 HydrophobicContact CB-CD1 3.96Å; L186-L188 HydrophobicContact CD1-CD2 3.85Å; L186-L188 HydrophobicContact CD2-CD2 4.18Å; L186-L188 HydrophobicContact CG-CD2 3.97Å; L186-L188 HydrophobicContact CG-CG 4.36Å; L186-T196 CarbonylContact O-C 3.51Å; L186-T196 WeakPolarHBondContact O-CA 3.21Å; L186-F197 HydrophobicContact CB-CB 4.37Å; L186-F197 HydrophobicContact CD2-CD2 4.24Å; L186-F197 HydrophobicContact CG-CD2 4.41Å; L186-F197 PolarHBondContact N-O 3.23Å; L186-F197 PolarHBondContact O-N 3.03Å; L186-F199 HydrophobicContact CB-CE2 4.35Å
187T98.3Very high96.3Very high25 Ų2551.9 Ų51.915%0.15327%0.268CS..EExtended strand (participates in β ladder)trans-108.2116.3174.7-60.70000109.2S176 F194 I195 T196S176-T187 PolarHBondContact N-O 2.97Å; S176-T187 PolarHBondContact O-N 2.85Å; S176-T187 PolarHBondContact OG-O 2.86Å; S176-T187 VanDerWaalsContact OG-O 3.14Å; T187-F194 HydrophobicContact CG2-CB 4.21Å; T187-F194 HydrophobicContact CG2-CD2 4.35Å; T187-I195 CarbonylContact C-O 3.59Å; T187-I195 VanDerWaalsContact CA-O 3.3Å; T187-I195 WeakPolarHBondContact CA-O 3.27Å; T187-T196 WeakPolarHBondContact OG1-CG2 3.32Å; T187-T196 PolarHBondContact OG1-OG1 3.05Å
188L98.4Very high96.4Very high0 Ų052.6 Ų52.60%026%0.261CS..EExtended strand (participates in β ladder)trans-96.3112.6173.4-57.9-172.5000108.5Y136 L153 T173 A175 L186 F194 I195 F197Y136-L188 HydrophobicContact CD1-CD1 4.49Å; Y136-L188 HydrophobicContact CD1-CD2 3.54Å; Y136-L188 HydrophobicContact CD2-CD1 4.1Å; Y136-L188 HydrophobicContact CD2-CD2 4.17Å; Y136-L188 HydrophobicContact CE1-CD1 4.29Å; Y136-L188 HydrophobicContact CE1-CD2 3.97Å; Y136-L188 HydrophobicContact CE2-CD1 3.89Å; Y136-L188 HydrophobicContact CG-CD1 4.39Å; Y136-L188 HydrophobicContact CG-CD2 3.63Å; L153-L188 HydrophobicContact CD1-CD1 3.43Å; L153-L188 VanDerWaalsContact CD1-CD1 3.43Å; T173-L188 HydrophobicContact CG2-CB 3.75Å; A175-L188 HydrophobicContact CB-CD2 3.83Å; L186-L188 HydrophobicContact CD1-CD2 3.85Å; L186-L188 HydrophobicContact CD2-CD2 4.18Å; L186-L188 HydrophobicContact CG-CD2 3.97Å; L186-L188 HydrophobicContact CG-CG 4.36Å; L188-F194 CarbonylContact O-C 3.59Å; L188-F194 WeakPolarHBondContact O-CA 3.45Å; L188-F194 WeakPolarHBondContact O-CB 3.4Å; L188-I195 PolarHBondContact N-O 2.86Å; L188-I195 PolarHBondContact O-N 3.25Å; L188-F197 HydrophobicContact CD1-CE2 3.95Å; L188-F197 HydrophobicContact CG-CE2 4.28Å
189T98.4Very high96.5Very high56 Ų5648.8 Ų48.834%0.34424%0.243SC..EExtended strand (participates in β ladder)trans-106.9130.8-177.6-54.90000110.1T173 T174T173-T189 CarbonylContact C-O 3.58Å; T173-T189 WeakPolarHBondContact CA-O 3.43Å; T174-T189 PolarHBondContact N-O 2.76Å; T174-T189 PolarHBondContact O-N 2.96Å; T174-T189 PolarHBondContact OG1-O 2.8Å
190F97.1Very high96.6Very high15 Ų1549.2 Ų49.27%0.06624%0.244CC..EExtended strand (participates in β ladder)trans-136.117217745.8-94.5000109.5F166 I168 T173 Q192 G193 I195 L217F166-F190 AromaticContact CE1-CD2 3.91Å; F166-F190 HydrophobicContact CE1-CD2 3.91Å; F166-F190 AromaticContact CE1-CE2 3.54Å; F166-F190 HydrophobicContact CE1-CE2 3.54Å; F166-F190 HydrophobicContact CE1-CZ 4.03Å; F166-F190 AromaticContact CZ-CD2 3.97Å; F166-F190 HydrophobicContact CZ-CD2 3.97Å; F166-F190 AromaticContact CZ-CE2 3.99Å; F166-F190 HydrophobicContact CZ-CE2 3.99Å; I168-F190 HydrophobicContact CG1-CD1 4.41Å; I168-F190 HydrophobicContact CG1-CE1 4Å; I168-F190 HydrophobicContact CG1-CZ 4.36Å; I168-F190 HydrophobicContact CG2-CD1 4.1Å; I168-F190 HydrophobicContact CG2-CE1 4.43Å; T173-F190 HydrophobicContact CG2-CD1 4.36Å; F190-Q192 HydrophobicContact CD2-CB 4.05Å; F190-Q192 HydrophobicContact CE2-CB 4.13Å; F190-Q192 PolarHBondContact O-N 2.7Å; F190-Q192 VanDerWaalsContact O-N 3.14Å; F190-G193 PolarHBondContact N-O 3.31Å; F190-G193 PolarHBondContact O-N 2.97Å; F190-G193 VanDerWaalsContact O-N 3.12Å; F190-I195 HydrophobicContact CE1-CD1 4.01Å; F190-I195 HydrophobicContact CE1-CG1 3.96Å; F190-I195 HydrophobicContact CZ-CD1 4.42Å; F190-I195 HydrophobicContact CZ-CG1 4.22Å; F190-L217 HydrophobicContact CE2-CD1 3.89Å
191Q96.1Very high96.7Very high166 Ų16646.9 Ų46.978%0.77623%0.234SC*.THydrogen-bonded Turntrans-58.5-33.7-171.4-70.8-159.69.700114.5
192Q96.5Very high96.9Very high62 Ų6240.3 Ų40.329%0.2921%0.207SC..THydrogen-bonded Turntrans-86.9-7.9-176.7-62.472.227.500113.5F166 F190 L217 S218 Y219F166-Q192 HydrophobicContact CE2-CB 4.33Å; F166-Q192 HydrophobicContact CE2-CG 3.97Å; F166-Q192 HydrophobicContact CZ-CB 4.09Å; F166-Q192 HydrophobicContact CZ-CG 4.09Å; F190-Q192 HydrophobicContact CD2-CB 4.05Å; F190-Q192 HydrophobicContact CE2-CB 4.13Å; F190-Q192 PolarHBondContact O-N 2.7Å; F190-Q192 VanDerWaalsContact O-N 3.14Å; Q192-L217 HydrophobicContact CB-CD1 3.8Å; Q192-S218 PolarHBondContact O-N 2.87Å; Q192-Y219 HydrophobicContact CG-CD2 4.06Å
193G97.3Very high96.7Very high13 Ų1342.5 Ų42.513%0.13422%0.22CC..EExtended strand (participates in β ladder)trans154.7-149.6-176.100000114.2F190 N216F190-G193 PolarHBondContact N-O 3.31Å; F190-G193 PolarHBondContact O-N 2.97Å; F190-G193 VanDerWaalsContact O-N 3.12Å; G193-N216 CarbonylContact C-O 3.48Å; G193-N216 VanDerWaalsContact CA-O 3.27Å; G193-N216 WeakPolarHBondContact CA-O 3.38Å
194F98Very high96.6Very high82 Ų8241.5 Ų41.536%0.3623%0.233SC..EExtended strand (participates in β ladder)trans-152.6156.6-177.662.6-92.1000112.5T187 L188 F215 N216T187-F194 HydrophobicContact CG2-CB 4.21Å; T187-F194 HydrophobicContact CG2-CD2 4.35Å; L188-F194 CarbonylContact O-C 3.59Å; L188-F194 WeakPolarHBondContact O-CA 3.45Å; L188-F194 WeakPolarHBondContact O-CB 3.4Å; F194-F215 CarbonylContact O-C 3.45Å; F194-F215 WeakPolarHBondContact O-CA 3.38Å; F194-F215 WeakPolarHBondContact O-CB 3.38Å; F194-N216 HydrophobicContact CD1-CB 4.08Å; F194-N216 HydrophobicContact CE1-CB 3.61Å; F194-N216 HydrophobicContact CE2-CB 4.34Å; F194-N216 HydrophobicContact CZ-CB 3.75Å; F194-N216 PolarHBondContact N-O 2.81Å; F194-N216 PolarHBondContact O-N 3.47Å
195I97.9Very high96.3Very high0 Ų046.9 Ų46.90%026%0.261CS..EExtended strand (participates in β ladder)trans-122.1130.2170.3-58163.2000107.9L153 I155 I168 T187 L188 F190 F197 V213 S214 F215 L262L153-I195 HydrophobicContact CD1-CD1 4.42Å; I155-I195 HydrophobicContact CD1-CD1 4.21Å; I155-I195 HydrophobicContact CD1-CG1 4.43Å; I168-I195 HydrophobicContact CD1-CD1 4.04Å; I168-I195 HydrophobicContact CG1-CD1 3.93Å; T187-I195 CarbonylContact C-O 3.59Å; T187-I195 VanDerWaalsContact CA-O 3.3Å; T187-I195 WeakPolarHBondContact CA-O 3.27Å; L188-I195 PolarHBondContact N-O 2.86Å; L188-I195 PolarHBondContact O-N 3.25Å; F190-I195 HydrophobicContact CE1-CD1 4.01Å; F190-I195 HydrophobicContact CE1-CG1 3.96Å; F190-I195 HydrophobicContact CZ-CD1 4.42Å; F190-I195 HydrophobicContact CZ-CG1 4.22Å; I195-F197 HydrophobicContact CB-CE2 4.28Å; I195-F197 HydrophobicContact CG2-CD2 4.1Å; I195-F197 HydrophobicContact CG2-CE1 4.35Å; I195-F197 HydrophobicContact CG2-CE2 3.51Å; I195-F197 HydrophobicContact CG2-CZ 3.66Å; I195-V213 HydrophobicContact CG2-CG1 4.26Å; I195-S214 CarbonylContact C-O 3.53Å; I195-S214 WeakPolarHBondContact CA-O 3.5Å; I195-F215 HydrophobicContact CB-CB 4.26Å; I195-F215 HydrophobicContact CG1-CB 3.74Å; I195-F215 HydrophobicContact CG2-CB 4.39Å; I195-L262 HydrophobicContact CD1-CD1 4.03Å; I195-L262 HydrophobicContact CG2-CD2 4.21Å
196T97.9Very high96.2Very high26 Ų2649.2 Ų49.216%0.1627%0.274CS..EExtended strand (participates in β ladder)trans-116.3120.8175.3-60.80000110.5L186 T187 V213 S214L186-T196 CarbonylContact O-C 3.51Å; L186-T196 WeakPolarHBondContact O-CA 3.21Å; T187-T196 WeakPolarHBondContact OG1-CG2 3.32Å; T187-T196 PolarHBondContact OG1-OG1 3.05Å; T196-V213 WeakPolarHBondContact O-CA 3.44Å; T196-S214 PolarHBondContact N-O 2.73Å; T196-S214 PolarHBondContact O-N 3.4Å
197F97.5Very high96.1Very high0 Ų050.5 Ų50.50%028%0.281CS..EExtended strand (participates in β ladder)trans-98.5128.7170.7-58.1-90.6000109M151 L153 N185 L186 L188 I195 F199 L210 V213 L262M151-F197 HydrophobicContact CE-CE2 4.24Å; M151-F197 HydrophobicContact CE-CZ 4.29Å; M151-F197 HydrophobicContact SD-CZ 4.24Å; L153-F197 HydrophobicContact CD1-CZ 4.33Å; L153-F197 HydrophobicContact CD2-CZ 4.22Å; N185-F197 CarbonylContact C-O 3.58Å; N185-F197 VanDerWaalsContact CA-O 3.28Å; N185-F197 WeakPolarHBondContact CA-O 3.5Å; L186-F197 HydrophobicContact CB-CB 4.37Å; L186-F197 HydrophobicContact CD2-CD2 4.24Å; L186-F197 HydrophobicContact CG-CD2 4.41Å; L186-F197 PolarHBondContact N-O 3.23Å; L186-F197 PolarHBondContact O-N 3.03Å; L188-F197 HydrophobicContact CD1-CE2 3.95Å; L188-F197 HydrophobicContact CG-CE2 4.28Å; I195-F197 HydrophobicContact CB-CE2 4.28Å; I195-F197 HydrophobicContact CG2-CD2 4.1Å; I195-F197 HydrophobicContact CG2-CE1 4.35Å; I195-F197 HydrophobicContact CG2-CE2 3.51Å; I195-F197 HydrophobicContact CG2-CZ 3.66Å; F197-F199 HydrophobicContact CB-CD2 4.38Å; F197-F199 HydrophobicContact CB-CE2 3.59Å; F197-F199 HydrophobicContact CB-CZ 4.08Å; F197-L210 HydrophobicContact CB-CD1 3.75Å; F197-L210 HydrophobicContact CD1-CD1 3.96Å; F197-L210 HydrophobicContact CD1-CD2 4.32Å; F197-L210 HydrophobicContact CG-CD1 4.37Å; F197-V213 HydrophobicContact CD1-CG1 4.39Å; F197-V213 HydrophobicContact CD1-CG2 3.89Å; F197-V213 HydrophobicContact CE1-CG1 4.38Å; F197-V213 HydrophobicContact CE1-CG2 4.34Å; F197-L262 HydrophobicContact CE1-CD2 3.78Å; F197-L262 HydrophobicContact CZ-CD2 3.86Å
198L97.2Very high96Very high56 Ų5649.7 Ų49.729%0.29328%0.278SS..EExtended strand (participates in β ladder)trans-113.1115.4176.7-177.967.9000109.8N185 N211 A212N185-L198 HydrophobicContact CB-CD1 4.19Å; L198-N211 PolarHBondContact O-N 2.62Å; L198-A212 HydrophobicContact CB-CB 4.14Å; L198-A212 HydrophobicContact CD2-CB 4.28Å; L198-A212 PolarHBondContact N-O 2.78Å; L198-A212 PolarHBondContact O-N 3.38Å
199F97Very high95.9Very high7 Ų751.5 Ų51.53%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-99.8139.1178.5-61.7-92000110.8L147 K183 A184 L186 F197 Y209 L210 L269 A271 F272L147-F199 HydrophobicContact CD1-CD2 3.68Å; L147-F199 HydrophobicContact CD1-CE2 3.78Å; L147-F199 HydrophobicContact CD1-CG 4.47Å; K183-F199 WeakPolarHBondContact CA-O 3.27Å; A184-F199 HydrophobicContact CB-CB 4.37Å; A184-F199 PolarHBondContact N-O 2.98Å; A184-F199 PolarHBondContact O-N 2.9Å; L186-F199 HydrophobicContact CB-CE2 4.35Å; F197-F199 HydrophobicContact CB-CD2 4.38Å; F197-F199 HydrophobicContact CB-CE2 3.59Å; F197-F199 HydrophobicContact CB-CZ 4.08Å; F199-Y209 CarbonylContact C-O 3.53Å; F199-Y209 VanDerWaalsContact CA-O 3.27Å; F199-Y209 WeakPolarHBondContact CA-O 3.34Å; F199-L210 HydrophobicContact CD1-CB 4.31Å; F199-L210 HydrophobicContact CD1-CD1 4.35Å; F199-L210 HydrophobicContact CE1-CB 4.15Å; F199-L210 HydrophobicContact CE1-CD1 4.06Å; F199-L210 HydrophobicContact CE2-CD1 4.31Å; F199-L210 HydrophobicContact CZ-CD1 4.03Å; F199-L269 HydrophobicContact CE1-CD2 4.17Å; F199-L269 HydrophobicContact CZ-CD2 3.76Å; F199-A271 HydrophobicContact CB-CB 4.39Å; F199-A271 HydrophobicContact CD1-CB 4.46Å; F199-A271 HydrophobicContact CG-CB 4.34Å; F199-F272 HydrophobicContact CB-CE2 4.17Å; F199-F272 HydrophobicContact CB-CZ 4.26Å
200N96.4Very high95.8Very high26 Ų2648.8 Ų48.814%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-115.8149.3170.2-75.4-0.3000110T182 A208 Y209 N211T182-N200 CarbonylContact O-C 3.59Å; T182-N200 WeakPolarHBondContact O-CA 3.43Å; N200-A208 WeakPolarHBondContact O-CA 3.3Å; N200-Y209 HydrophobicContact CB-CE1 4.01Å; N200-Y209 HydrophobicContact CB-CE2 4.01Å; N200-Y209 PolarHBondContact N-O 2.8Å; N200-Y209 WeakPolarHBondContact O-CD1 3.38Å; N200-Y209 PolarHBondContact O-N 2.98Å; N200-N211 HydrophobicContact CB-CB 4.13Å; N200-N211 VanDerWaalsContact ND2-CG 3.29Å; N200-N211 PolarHBondContact ND2-OD1 2.75Å
201K95.6Very high95.7Very high65 Ų6550 Ų5028%0.28328%0.275SS..EExtended strand (participates in β ladder)trans-103.8120.6169.4176.1176.1177.9-177.40109.6T182 T207 I243 F272T182-K201 PolarHBondContact O-N 2.87Å; K201-T207 CarbonylContact C-O 3.57Å; K201-T207 WeakPolarHBondContact CA-O 3.43Å; K201-I243 HydrophobicContact CD-CD1 3.8Å; K201-I243 HydrophobicContact CD-CG1 4.36Å; K201-I243 HydrophobicContact CG-CD1 3.84Å; K201-I243 HydrophobicContact CG-CG1 4.36Å; K201-F272 HydrophobicContact CB-CD1 4.38Å; K201-F272 HydrophobicContact CB-CD2 4.06Å; K201-F272 HydrophobicContact CB-CE1 4.16Å; K201-F272 HydrophobicContact CB-CE2 3.81Å; K201-F272 HydrophobicContact CB-CG 4.34Å; K201-F272 HydrophobicContact CB-CZ 3.86Å; K201-F272 HydrophobicContact CD-CG 4.39Å
202S94.8Very high95.7Very high26 Ų2642.3 Ų42.318%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-81.1115166.8179.90000109.4N205 N206 T207S202-N205 PolarHBondContact OG-N 2.81Å; S202-N206 VanDerWaalsContact O-CA 3.27Å; S202-N206 WeakPolarHBondContact O-CA 3.43Å; S202-N206 PolarHBondContact O-N 2.87Å; S202-T207 PolarHBondContact N-O 2.84Å; S202-T207 PolarHBondContact O-N 2.96Å
203V90Very high95.8Very high112 Ų11239.4 Ų39.468%0.67923%0.227SC*.THydrogen-bonded Turntrans-70.2-38.9176.2-179.80000110.8N205 N206V203-N205 PolarHBondContact O-N 2.86Å; V203-N206 PolarHBondContact O-N 2.86Å
204A92.1Very high95.7Very high94 Ų9440.2 Ų40.278%0.77723%0.23SC*.THydrogen-bonded Turntrans-63.7-41.7-17900000112.5
205N91.1Very high95.6Very high115 Ų11536.4 Ų36.462%0.61521%0.214SC*.THydrogen-bonded Turntrans-96.9-5.9-176.4-59-23.3000112.7S202 V203 T207S202-N205 PolarHBondContact OG-N 2.81Å; V203-N205 PolarHBondContact O-N 2.86Å; N205-T207 HydrophobicContact CB-CG2 4.22Å; N205-T207 PolarHBondContact O-N 2.96Å
206N94.4Very high95.6Very high87 Ų8738.7 Ų38.747%0.46523%0.226SC..THydrogen-bonded Turntrans49.344.8-171.6-166.738.6000112.5S202 V203 I243S202-N206 VanDerWaalsContact O-CA 3.27Å; S202-N206 WeakPolarHBondContact O-CA 3.43Å; S202-N206 PolarHBondContact O-N 2.87Å; V203-N206 PolarHBondContact O-N 2.86Å; N206-I243 WeakPolarHBondContact O-CG1 3.27Å; N206-I243 PolarHBondContact O-N 2.89Å; N206-I243 WeakPolarHBondContact OD1-CB 3.48Å; N206-I243 WeakPolarHBondContact OD1-CG1 3.22Å
207T95.6Very high95.6Very high27 Ų2737.5 Ų37.517%0.16622%0.218CC..EExtended strand (participates in β ladder)trans-121.1149.1-179.853.70000111.7K201 S202 N205 A241K201-T207 CarbonylContact C-O 3.57Å; K201-T207 WeakPolarHBondContact CA-O 3.43Å; S202-T207 PolarHBondContact N-O 2.84Å; S202-T207 PolarHBondContact O-N 2.96Å; N205-T207 HydrophobicContact CB-CG2 4.22Å; N205-T207 PolarHBondContact O-N 2.96Å; T207-A241 CarbonylContact C-O 3.58Å; T207-A241 VanDerWaalsContact CA-O 3.27Å; T207-A241 WeakPolarHBondContact CA-O 3.25Å; T207-A241 WeakPolarHBondContact CB-O 3.32Å
208A96.7Very high95.5Very high9 Ų939.6 Ų39.67%0.07423%0.233CC..EExtended strand (participates in β ladder)trans-105.2141.216500000108.8N200 A240 A241 I243 F272N200-A208 WeakPolarHBondContact O-CA 3.3Å; A208-A240 VanDerWaalsContact O-CA 3.32Å; A208-A240 WeakPolarHBondContact O-CA 3.23Å; A208-A241 PolarHBondContact N-O 3.18Å; A208-A241 PolarHBondContact O-N 2.99Å; A208-I243 HydrophobicContact CB-CD1 3.88Å; A208-F272 HydrophobicContact CB-CD2 3.65Å; A208-F272 HydrophobicContact CB-CE2 3.8Å
209Y96.1Very high95.4Very high37 Ų3740.7 Ų40.715%0.14523%0.234CC..EExtended strand (participates in β ladder)trans-149.8155.6178.562.4-85.8000110.9F199 N200 N211 H237F199-Y209 CarbonylContact C-O 3.53Å; F199-Y209 VanDerWaalsContact CA-O 3.27Å; F199-Y209 WeakPolarHBondContact CA-O 3.34Å; N200-Y209 HydrophobicContact CB-CE1 4.01Å; N200-Y209 HydrophobicContact CB-CE2 4.01Å; N200-Y209 PolarHBondContact N-O 2.8Å; N200-Y209 WeakPolarHBondContact O-CD1 3.38Å; N200-Y209 PolarHBondContact O-N 2.98Å; Y209-N211 HydrophobicContact CD2-CB 4.39Å; Y209-N211 HydrophobicContact CE2-CB 4Å; Y209-N211 PolarHBondContact O-N 3.13Å; Y209-H237 AromaticContact CD1-NE2 3.94Å; Y209-H237 HydrophobicContact CD2-CB 4.47Å; Y209-H237 AromaticContact CD2-CD2 3.45Å; Y209-H237 VanDerWaalsContact CD2-CD2 3.45Å; Y209-H237 WeakPolarHBondContact CD2-CD2 2.89Å; Y209-H237 AromaticContact CD2-CG 3.92Å; Y209-H237 AromaticContact CD2-NE2 3.8Å; Y209-H237 AromaticContact CE2-CD2 3.44Å; Y209-H237 VanDerWaalsContact CE2-CD2 3.44Å; Y209-H237 WeakPolarHBondContact CE2-CD2 3.26Å; Y209-H237 AromaticContact CE2-NE2 3.93Å; Y209-H237 AromaticContact CG-CD2 3.95Å; Y209-H237 AromaticContact CG-NE2 3.78Å; Y209-H237 AromaticContact CZ-CD2 3.95Å
210L96.4Very high95.3Very high0 Ų043.1 Ų43.10%025%0.25CS..EExtended strand (participates in β ladder)trans-75.8114.6171.9-178.469.6000109.4F197 F199 V213 H237 L238 F239 I254F197-L210 HydrophobicContact CB-CD1 3.75Å; F197-L210 HydrophobicContact CD1-CD1 3.96Å; F197-L210 HydrophobicContact CD1-CD2 4.32Å; F197-L210 HydrophobicContact CG-CD1 4.37Å; F199-L210 HydrophobicContact CD1-CB 4.31Å; F199-L210 HydrophobicContact CD1-CD1 4.35Å; F199-L210 HydrophobicContact CE1-CB 4.15Å; F199-L210 HydrophobicContact CE1-CD1 4.06Å; F199-L210 HydrophobicContact CE2-CD1 4.31Å; F199-L210 HydrophobicContact CZ-CD1 4.03Å; L210-V213 HydrophobicContact CD1-CG2 3.93Å; L210-V213 HydrophobicContact CD2-CG2 3.36Å; L210-V213 HydrophobicContact CG-CG2 3.9Å; L210-H237 WeakPolarHBondContact O-CA 3.28Å; L210-H237 PolarHBondContact O-N 3.45Å; L210-L238 WeakPolarHBondContact CB-O 3.32Å; L210-L238 HydrophobicContact CD2-CB 4.44Å; L210-L238 PolarHBondContact N-O 2.92Å; L210-L238 PolarHBondContact O-N 2.94Å; L210-F239 HydrophobicContact CB-CB 4.14Å; L210-F239 HydrophobicContact CB-CD2 3.76Å; L210-F239 HydrophobicContact CB-CG 4.23Å; L210-F239 HydrophobicContact CD2-CD2 3.38Å; L210-F239 HydrophobicContact CD2-CE2 3.38Å; L210-F239 HydrophobicContact CD2-CG 4.33Å; L210-F239 HydrophobicContact CD2-CZ 4.36Å; L210-F239 HydrophobicContact CG-CD2 4.1Å; L210-I254 HydrophobicContact CD2-CD1 3.98Å
211N95.6Very high95Very high39 Ų3942.3 Ų42.321%0.20925%0.246CC..EExtended strand (participates in β ladder)trans-91.3-39.1-178.3-175.182.9000112.4L198 N200 Y209 S235 V236L198-N211 PolarHBondContact O-N 2.62Å; N200-N211 HydrophobicContact CB-CB 4.13Å; N200-N211 VanDerWaalsContact ND2-CG 3.29Å; N200-N211 PolarHBondContact ND2-OD1 2.75Å; Y209-N211 HydrophobicContact CD2-CB 4.39Å; Y209-N211 HydrophobicContact CE2-CB 4Å; Y209-N211 PolarHBondContact O-N 3.13Å; N211-S235 VanDerWaalsContact O-CA 3.24Å; N211-S235 WeakPolarHBondContact O-CA 3.48Å; N211-S235 PolarHBondContact O-N 2.85Å; N211-V236 PolarHBondContact O-N 2.73Å; N211-V236 VanDerWaalsContact O-N 3.1Å
212A96.3Very high94.7Very high5 Ų539.8 Ų39.84%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-147.4150.6-17900000111.6L198 N233 D234L198-A212 HydrophobicContact CB-CB 4.14Å; L198-A212 HydrophobicContact CD2-CB 4.28Å; L198-A212 PolarHBondContact N-O 2.78Å; L198-A212 PolarHBondContact O-N 3.38Å; A212-N233 VanDerWaalsContact CA-O 3.26Å; A212-N233 WeakPolarHBondContact CA-O 3.47Å; A212-D234 WeakPolarHBondContact CB-OD1 3.19Å
213V97Very high94.2Very high1 Ų147 Ų471%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-130.2137.4170.9-178.30000108.4I195 T196 F197 L210 K232 N233 V236 I254 L256 L262I195-V213 HydrophobicContact CG2-CG1 4.26Å; T196-V213 WeakPolarHBondContact O-CA 3.44Å; F197-V213 HydrophobicContact CD1-CG1 4.39Å; F197-V213 HydrophobicContact CD1-CG2 3.89Å; F197-V213 HydrophobicContact CE1-CG1 4.38Å; F197-V213 HydrophobicContact CE1-CG2 4.34Å; L210-V213 HydrophobicContact CD1-CG2 3.93Å; L210-V213 HydrophobicContact CD2-CG2 3.36Å; L210-V213 HydrophobicContact CG-CG2 3.9Å; V213-K232 WeakPolarHBondContact O-CA 3.23Å; V213-N233 PolarHBondContact N-O 2.82Å; V213-N233 PolarHBondContact O-N 2.83Å; V213-V236 HydrophobicContact CG2-CG2 4.36Å; V213-I254 HydrophobicContact CG2-CD1 4.19Å; V213-L256 HydrophobicContact CB-CD2 4.4Å; V213-L256 HydrophobicContact CG1-CD2 4.07Å; V213-L262 HydrophobicContact CG1-CD2 3.9Å
214S96.4Very high93.8Very high30 Ų3046 Ų4621%0.2127%0.27CS..EExtended strand (participates in β ladder)trans-138.1151.6170.356.20000109.8I195 T196 E231I195-S214 CarbonylContact C-O 3.53Å; I195-S214 WeakPolarHBondContact CA-O 3.5Å; T196-S214 PolarHBondContact N-O 2.73Å; T196-S214 PolarHBondContact O-N 3.4Å; S214-E231 VanDerWaalsContact CA-O 3.3Å; S214-E231 WeakPolarHBondContact CA-O 3.3Å
215F96.4Very high93.5Very high3 Ų343.2 Ų43.21%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-143.5157.1169.973.9-92.2000111.1I155 F194 I195 L217 S230 E231 L256 L260I155-F215 HydrophobicContact CD1-CD2 3.93Å; I155-F215 HydrophobicContact CD1-CE2 4.23Å; I155-F215 HydrophobicContact CD1-CG 4.22Å; I155-F215 HydrophobicContact CG2-CE2 4.28Å; I155-F215 HydrophobicContact CG2-CZ 4.14Å; F194-F215 CarbonylContact O-C 3.45Å; F194-F215 WeakPolarHBondContact O-CA 3.38Å; F194-F215 WeakPolarHBondContact O-CB 3.38Å; I195-F215 HydrophobicContact CB-CB 4.26Å; I195-F215 HydrophobicContact CG1-CB 3.74Å; I195-F215 HydrophobicContact CG2-CB 4.39Å; F215-L217 HydrophobicContact CD2-CB 3.93Å; F215-L217 HydrophobicContact CE2-CB 3.98Å; F215-S230 WeakPolarHBondContact O-CA 3.34Å; F215-E231 HydrophobicContact CE1-CB 3.95Å; F215-E231 HydrophobicContact CE1-CG 4.49Å; F215-E231 HydrophobicContact CZ-CB 4.23Å; F215-E231 HydrophobicContact CZ-CG 4.33Å; F215-E231 PolarHBondContact N-O 3.47Å; F215-E231 PolarHBondContact O-N 2.88Å; F215-L256 HydrophobicContact CD1-CD1 4.19Å; F215-L256 HydrophobicContact CD1-CD2 3.59Å; F215-L256 HydrophobicContact CD1-CG 4.38Å; F215-L256 HydrophobicContact CE1-CB 4.15Å; F215-L256 HydrophobicContact CE1-CD1 3.87Å; F215-L256 HydrophobicContact CE1-CD2 3.78Å; F215-L256 HydrophobicContact CE1-CG 4.14Å; F215-L260 HydrophobicContact CE1-CB 4.45Å; F215-L260 HydrophobicContact CZ-CB 4.08Å; F215-L260 HydrophobicContact CZ-CD1 3.99Å; F215-L260 HydrophobicContact CZ-CD2 4.06Å; F215-L260 HydrophobicContact CZ-CG 4.24Å
216N97.1Very high93.6Very high48 Ų4842.4 Ų42.426%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-123.8132.1165.6-165.2-66.3000108G193 F194 Y229G193-N216 CarbonylContact C-O 3.48Å; G193-N216 VanDerWaalsContact CA-O 3.27Å; G193-N216 WeakPolarHBondContact CA-O 3.38Å; F194-N216 HydrophobicContact CD1-CB 4.08Å; F194-N216 HydrophobicContact CE1-CB 3.61Å; F194-N216 HydrophobicContact CE2-CB 4.34Å; F194-N216 HydrophobicContact CZ-CB 3.75Å; F194-N216 PolarHBondContact N-O 2.81Å; F194-N216 PolarHBondContact O-N 3.47Å; N216-Y229 CarbonylContact C-O 3.57Å; N216-Y229 WeakPolarHBondContact CA-O 3.22Å
217L96.8Very high93.4Very high0 Ų041.5 Ų41.50%024%0.244CC..EExtended strand (participates in β ladder)trans-140123.9-179178.868.7000110.1I155 F166 F190 Q192 F215 L221 K228 Y229I155-L217 HydrophobicContact CD1-CD2 4.1Å; I155-L217 HydrophobicContact CG2-CD2 4.24Å; F166-L217 HydrophobicContact CB-CD2 4.01Å; F166-L217 HydrophobicContact CD1-CD1 3.71Å; F166-L217 HydrophobicContact CD1-CD2 4.27Å; F166-L217 HydrophobicContact CD2-CD1 4.35Å; F166-L217 HydrophobicContact CE1-CD1 3.8Å; F166-L217 HydrophobicContact CE2-CD1 4.44Å; F166-L217 HydrophobicContact CG-CD1 3.99Å; F166-L217 HydrophobicContact CG-CD2 4.19Å; F166-L217 HydrophobicContact CZ-CD1 4.18Å; F190-L217 HydrophobicContact CE2-CD1 3.89Å; Q192-L217 HydrophobicContact CB-CD1 3.8Å; F215-L217 HydrophobicContact CD2-CB 3.93Å; F215-L217 HydrophobicContact CE2-CB 3.98Å; L217-L221 HydrophobicContact CD2-CD1 3.94Å; L217-L221 HydrophobicContact CD2-CG 4.33Å; L217-K228 CarbonylContact O-C 3.56Å; L217-K228 WeakPolarHBondContact O-CA 3.32Å; L217-Y229 HydrophobicContact CD2-CD2 4.37Å; L217-Y229 PolarHBondContact N-O 2.83Å; L217-Y229 PolarHBondContact O-N 2.92Å
218S96.9Very high93.4Very high44 Ų4448.6 Ų48.631%0.30827%0.272SS..EExtended strand (participates in β ladder)trans-106.695.2169.5-175.40000109.4Q192 T226 Q227Q192-S218 PolarHBondContact O-N 2.87Å; S218-T226 WeakPolarHBondContact OG-CG2 3.35Å; S218-Q227 CarbonylContact C-O 3.54Å; S218-Q227 WeakPolarHBondContact CA-O 3.44Å
219Y94.8Very high93.3Very high80 Ų8049.1 Ų49.131%0.31427%0.272SS..EExtended strand (participates in β ladder)trans-153.5147.1-173.3-168.1-99.7000111.9F166 Q192 L221 Q227 Y229F166-Y219 HydrophobicContact CB-CD1 4.28Å; F166-Y219 HydrophobicContact CB-CE1 4.48Å; F166-Y219 AromaticContact CD2-CD1 3.98Å; F166-Y219 HydrophobicContact CD2-CD1 3.98Å; F166-Y219 AromaticContact CD2-CD2 3.59Å; F166-Y219 HydrophobicContact CD2-CD2 3.59Å; F166-Y219 HydrophobicContact CD2-CE1 4.04Å; F166-Y219 AromaticContact CD2-CE2 3.65Å; F166-Y219 HydrophobicContact CD2-CE2 3.65Å; F166-Y219 AromaticContact CD2-CG 3.76Å; F166-Y219 HydrophobicContact CD2-CG 3.76Å; F166-Y219 AromaticContact CD2-CZ 3.87Å; F166-Y219 AromaticContact CE2-CD2 3.78Å; F166-Y219 HydrophobicContact CE2-CD2 3.78Å; F166-Y219 AromaticContact CE2-CE2 3.87Å; F166-Y219 HydrophobicContact CE2-CE2 3.87Å; F166-Y219 HydrophobicContact CE2-CG 4.33Å; F166-Y219 HydrophobicContact CG-CG 4.47Å; Q192-Y219 HydrophobicContact CG-CD2 4.06Å; Y219-L221 VanDerWaalsContact C-N 3.3Å; Y219-L221 HydrophobicContact CD1-CD2 3.72Å; Y219-L221 HydrophobicContact CD1-CG 3.97Å; Y219-L221 HydrophobicContact CE1-CD2 4.21Å; Y219-L221 PolarHBondContact O-N 2.79Å; Y219-Q227 PolarHBondContact N-O 2.99Å; Y219-Q227 PolarHBondContact O-N 3.17Å; Y219-Y229 WeakPolarHBondContact O-CE2 3.02Å
220P93.8Very high93.2Very high58 Ų5851.3 Ų51.338%0.37729%0.293SS..  trans-77.477.1172.432.4-35.9000111T222 G225P220-T222 PolarHBondContact O-N 3.24Å; P220-G225 WeakPolarHBondContact CA-O 3.33Å; P220-G225 WeakPolarHBondContact CB-O 3.29Å
221L91.3Very high93.1Very high8 Ų853.2 Ų53.24%0.04230%0.302CS..  trans-71.3-19.5173.9-71.7177.2000112.4L157 G164 F166 L217 Y219 Y229 L260L157-L221 HydrophobicContact CB-CB 4.37Å; L157-L221 HydrophobicContact CB-CD1 3.87Å; L157-L221 HydrophobicContact CD2-CB 3.96Å; L157-L221 HydrophobicContact CD2-CD1 4.39Å; G164-L221 WeakPolarHBondContact CA-O 3.5Å; F166-L221 HydrophobicContact CB-CD2 3.88Å; L217-L221 HydrophobicContact CD2-CD1 3.94Å; L217-L221 HydrophobicContact CD2-CG 4.33Å; Y219-L221 VanDerWaalsContact C-N 3.3Å; Y219-L221 HydrophobicContact CD1-CD2 3.72Å; Y219-L221 HydrophobicContact CD1-CG 3.97Å; Y219-L221 HydrophobicContact CE1-CD2 4.21Å; Y219-L221 PolarHBondContact O-N 2.79Å; L221-Y229 HydrophobicContact CB-CE2 3.91Å; L221-Y229 HydrophobicContact CD1-CD2 3.8Å; L221-Y229 HydrophobicContact CD1-CE2 3.53Å; L221-Y229 HydrophobicContact CD1-CG 4.42Å; L221-Y229 HydrophobicContact CG-CD2 4.41Å; L221-Y229 HydrophobicContact CG-CE2 3.77Å; L221-L260 HydrophobicContact CD1-CD2 4.05Å
222T89.8Confident93.1Very high12 Ų1256.9 Ų56.97%0.07432%0.316CS..SBendtrans-123168.9176.765.10000110.3L157 P220 S224L157-T222 HydrophobicContact CD2-CG2 3.6Å; P220-T222 PolarHBondContact O-N 3.24Å; T222-S224 PolarHBondContact O-N 3.31Å
223N84.4Confident93Very high179 Ų17959 Ų5996%0.95733%0.326SS*.THydrogen-bonded Turntrans-69.44.5178-65-28.9000113.9G225N223-G225 VanDerWaalsContact C-N 3.31Å; N223-G225 PolarHBondContact O-N 3.42Å
224S81.2Confident92.5Very high89 Ų8962.9 Ų62.962%0.62235%0.347SS*.THydrogen-bonded Turntrans-90.616.5-177.5-53.80000114T222T222-S224 PolarHBondContact O-N 3.31Å
225G86.3Confident91.8Very high37 Ų3765.9 Ų65.938%0.38137%0.368SS..  trans81.9-171.7-176.500000113.5P220 N223 Q227P220-G225 WeakPolarHBondContact CA-O 3.33Å; P220-G225 WeakPolarHBondContact CB-O 3.29Å; N223-G225 VanDerWaalsContact C-N 3.31Å; N223-G225 PolarHBondContact O-N 3.42Å; G225-Q227 PolarHBondContact O-N 3.06Å
226T91.7Very high91.3Very high98 Ų9866.9 Ų66.960%0.60138%0.375SS*.  trans-69.2121.7-175.9-60.60000110.8S218S218-T226 WeakPolarHBondContact OG-CG2 3.35Å
227Q91.5Very high90.9Very high68 Ų6869.8 Ų69.832%0.31839%0.386SS..EExtended strand (participates in β ladder)trans-118.3156178-68.5-179.6-10.200110.6S218 Y219 G225 Y229S218-Q227 CarbonylContact C-O 3.54Å; S218-Q227 WeakPolarHBondContact CA-O 3.44Å; Y219-Q227 PolarHBondContact N-O 2.99Å; Y219-Q227 PolarHBondContact O-N 3.17Å; G225-Q227 PolarHBondContact O-N 3.06Å; Q227-Y229 HydrophobicContact CB-CE1 4.35Å; Q227-Y229 HydrophobicContact CB-CE2 3.88Å; Q227-Y229 PolarHBondContact OE1-OH 3Å
228K94.3Very high90.7Very high175 Ų17571.6 Ų71.676%0.76140%0.396SS*.EExtended strand (participates in β ladder)trans-100.7126.7173.4-66.6-177.3-179.31790109.6L217L217-K228 CarbonylContact O-C 3.56Å; L217-K228 WeakPolarHBondContact O-CA 3.32Å
229Y94.3Very high90.5Very high21 Ų2169.9 Ų69.98%0.08238%0.383CS..EExtended strand (participates in β ladder)trans-115.9129.7174.8-53.7-79.1000108.1L157 N216 L217 Y219 L221 Q227 L260L157-Y229 HydrophobicContact CD2-CE1 4.17Å; N216-Y229 CarbonylContact C-O 3.57Å; N216-Y229 WeakPolarHBondContact CA-O 3.22Å; L217-Y229 HydrophobicContact CD2-CD2 4.37Å; L217-Y229 PolarHBondContact N-O 2.83Å; L217-Y229 PolarHBondContact O-N 2.92Å; Y219-Y229 WeakPolarHBondContact O-CE2 3.02Å; L221-Y229 HydrophobicContact CB-CE2 3.91Å; L221-Y229 HydrophobicContact CD1-CD2 3.8Å; L221-Y229 HydrophobicContact CD1-CE2 3.53Å; L221-Y229 HydrophobicContact CD1-CG 4.42Å; L221-Y229 HydrophobicContact CG-CD2 4.41Å; L221-Y229 HydrophobicContact CG-CE2 3.77Å; Q227-Y229 HydrophobicContact CB-CE1 4.35Å; Q227-Y229 HydrophobicContact CB-CE2 3.88Å; Q227-Y229 PolarHBondContact OE1-OH 3Å; Y229-L260 HydrophobicContact CD1-CD1 3.86Å; Y229-L260 HydrophobicContact CG-CD1 4.21Å
230S95.1Very high90.5Very high82 Ų8268.3 Ų68.357%0.57339%0.386SS*.EExtended strand (participates in β ladder)trans-143.498179.8-174.40000108.7F215F215-S230 WeakPolarHBondContact O-CA 3.34Å
231E95.3Very high90.7Very high40 Ų4065.9 Ų65.919%0.18737%0.371CS..EExtended strand (participates in β ladder)trans-123.8155.9-175.8-61-60.6158.800111S214 F215 L256 N258 L260S214-E231 VanDerWaalsContact CA-O 3.3Å; S214-E231 WeakPolarHBondContact CA-O 3.3Å; F215-E231 HydrophobicContact CE1-CB 3.95Å; F215-E231 HydrophobicContact CE1-CG 4.49Å; F215-E231 HydrophobicContact CZ-CB 4.23Å; F215-E231 HydrophobicContact CZ-CG 4.33Å; F215-E231 PolarHBondContact N-O 3.47Å; F215-E231 PolarHBondContact O-N 2.88Å; E231-L256 HydrophobicContact CB-CB 3.73Å; E231-L256 HydrophobicContact CB-CD2 4.48Å; E231-N258 PolarHBondContact OE1-ND2 3.25Å; E231-L260 HydrophobicContact CG-CB 4.41Å; E231-L260 HydrophobicContact CG-CD1 3.56Å
232K94.4Very high90.9Very high117 Ų11771.6 Ų71.651%0.50940%0.396SS..EExtended strand (participates in β ladder)trans-146.7132.3-179.3-178175.6-166.6-132.50109.9V213 D234V213-K232 WeakPolarHBondContact O-CA 3.23Å; K232-D234 WeakPolarHBondContact CD-OD2 3.29Å; K232-D234 VanDerWaalsContact CE-CG 3.45Å; K232-D234 WeakPolarHBondContact CE-OD1 3.25Å; K232-D234 VanDerWaalsContact CE-OD2 3.28Å; K232-D234 WeakPolarHBondContact CE-OD2 3.48Å; K232-D234 IonicContact NZ-OD1 3.75Å; K232-D234 PolarHBondContact NZ-OD1 3.32Å; K232-D234 IonicContact NZ-OD2 3.75Å; K232-D234 PolarHBondContact NZ-OD2 3.1Å
233N94.3Very high91.2Very high48 Ų4872.1 Ų72.126%0.25740%0.398SS..EExtended strand (participates in β ladder)trans-113.8108.6167.6-170.5-26.4000108.5A212 V213 V236 F255A212-N233 VanDerWaalsContact CA-O 3.26Å; A212-N233 WeakPolarHBondContact CA-O 3.47Å; V213-N233 PolarHBondContact N-O 2.82Å; V213-N233 PolarHBondContact O-N 2.83Å; N233-V236 HydrophobicContact CB-CG2 3.98Å; N233-V236 WeakPolarHBondContact O-CG2 3.27Å; N233-F255 PolarHBondContact ND2-O 3.05Å
234D87Confident91.6Very high83 Ų8364.5 Ų64.544%0.44436%0.362SS..EExtended strand (participates in β ladder)trans-92.4120.8171.9-72.3-48.6000108.6A212 K232A212-D234 WeakPolarHBondContact CB-OD1 3.19Å; K232-D234 WeakPolarHBondContact CD-OD2 3.29Å; K232-D234 VanDerWaalsContact CE-CG 3.45Å; K232-D234 WeakPolarHBondContact CE-OD1 3.25Å; K232-D234 VanDerWaalsContact CE-OD2 3.28Å; K232-D234 WeakPolarHBondContact CE-OD2 3.48Å; K232-D234 IonicContact NZ-OD1 3.75Å; K232-D234 PolarHBondContact NZ-OD1 3.32Å; K232-D234 IonicContact NZ-OD2 3.75Å; K232-D234 PolarHBondContact NZ-OD2 3.1Å
235S82.2Confident92.4Very high94 Ų9462.8 Ų62.866%0.65734%0.344SS*.EExtended strand (participates in β ladder)trans95.738.9-180-370000116N211 H237N211-S235 VanDerWaalsContact O-CA 3.24Å; N211-S235 WeakPolarHBondContact O-CA 3.48Å; N211-S235 PolarHBondContact O-N 2.85Å; S235-H237 VanDerWaalsContact C-N 3.3Å; S235-H237 PolarHBondContact O-N 2.83Å
236V85Confident92.9Very high24 Ų2461 Ų6115%0.14533%0.326CS..EExtended strand (participates in β ladder)trans-68.9-28.5178.4-145.70000112.1N211 V213 N233 L238 I254N211-V236 PolarHBondContact O-N 2.73Å; N211-V236 VanDerWaalsContact O-N 3.1Å; V213-V236 HydrophobicContact CG2-CG2 4.36Å; N233-V236 HydrophobicContact CB-CG2 3.98Å; N233-V236 WeakPolarHBondContact O-CG2 3.27Å; V236-L238 HydrophobicContact CB-CD1 4.34Å; V236-L238 HydrophobicContact CB-CG 4.19Å; V236-L238 HydrophobicContact CG1-CD1 3.34Å; V236-L238 HydrophobicContact CG1-CG 3.6Å; V236-L238 VanDerWaalsContact O-CG 3.31Å; V236-L238 WeakPolarHBondContact O-CG 3.41Å; V236-L238 PolarHBondContact O-N 3Å; V236-L238 VanDerWaalsContact O-N 3.11Å; V236-I254 HydrophobicContact CG1-CG2 3.68Å; V236-I254 HydrophobicContact CG2-CG2 4.5Å
237H89.7Confident93.2Very high108 Ų10856.9 Ų56.950%0.530%0.299SS..EExtended strand (participates in β ladder)trans37.549.8-176.2-159.6-71.5000113.7Y209 L210 S235Y209-H237 AromaticContact CD1-NE2 3.94Å; Y209-H237 HydrophobicContact CD2-CB 4.47Å; Y209-H237 AromaticContact CD2-CD2 3.45Å; Y209-H237 VanDerWaalsContact CD2-CD2 3.45Å; Y209-H237 WeakPolarHBondContact CD2-CD2 2.89Å; Y209-H237 AromaticContact CD2-CG 3.92Å; Y209-H237 AromaticContact CD2-NE2 3.8Å; Y209-H237 AromaticContact CE2-CD2 3.44Å; Y209-H237 VanDerWaalsContact CE2-CD2 3.44Å; Y209-H237 WeakPolarHBondContact CE2-CD2 3.26Å; Y209-H237 AromaticContact CE2-NE2 3.93Å; Y209-H237 AromaticContact CG-CD2 3.95Å; Y209-H237 AromaticContact CG-NE2 3.78Å; Y209-H237 AromaticContact CZ-CD2 3.95Å; L210-H237 WeakPolarHBondContact O-CA 3.28Å; L210-H237 PolarHBondContact O-N 3.45Å; S235-H237 VanDerWaalsContact C-N 3.3Å; S235-H237 PolarHBondContact O-N 2.83Å
238L91.7Very high93.4Very high38 Ų3855.4 Ų55.420%0.19930%0.296CS..EExtended strand (participates in β ladder)trans-106.1178.1178.9-63.8-179.6000111.3L210 V236 A240 E252 I254L210-L238 WeakPolarHBondContact CB-O 3.32Å; L210-L238 HydrophobicContact CD2-CB 4.44Å; L210-L238 PolarHBondContact N-O 2.92Å; L210-L238 PolarHBondContact O-N 2.94Å; V236-L238 HydrophobicContact CB-CD1 4.34Å; V236-L238 HydrophobicContact CB-CG 4.19Å; V236-L238 HydrophobicContact CG1-CD1 3.34Å; V236-L238 HydrophobicContact CG1-CG 3.6Å; V236-L238 VanDerWaalsContact O-CG 3.31Å; V236-L238 WeakPolarHBondContact O-CG 3.41Å; V236-L238 PolarHBondContact O-N 3Å; V236-L238 VanDerWaalsContact O-N 3.11Å; L238-A240 PolarHBondContact O-N 3.1Å; L238-A240 VanDerWaalsContact O-N 3.13Å; L238-E252 HydrophobicContact CD1-CG 4.17Å; L238-I254 HydrophobicContact CD1-CD1 4Å; L238-I254 HydrophobicContact CD1-CG1 3.68Å
239F93.4Very high93.5Very high8 Ų847.2 Ų47.24%0.03526%0.261CS..EExtended strand (participates in β ladder)trans55.935.3172.1-50.6-26.5000112.9L210 A241 Y247 E252 I254 V264 L269L210-F239 HydrophobicContact CB-CB 4.14Å; L210-F239 HydrophobicContact CB-CD2 3.76Å; L210-F239 HydrophobicContact CB-CG 4.23Å; L210-F239 HydrophobicContact CD2-CD2 3.38Å; L210-F239 HydrophobicContact CD2-CE2 3.38Å; L210-F239 HydrophobicContact CD2-CG 4.33Å; L210-F239 HydrophobicContact CD2-CZ 4.36Å; L210-F239 HydrophobicContact CG-CD2 4.1Å; F239-A241 PolarHBondContact O-N 2.04Å; F239-Y247 HydrophobicContact CB-CD1 3.91Å; F239-Y247 HydrophobicContact CB-CE1 4.16Å; F239-Y247 HydrophobicContact CB-CG 4.07Å; F239-Y247 AromaticContact CD1-CD1 3.75Å; F239-Y247 HydrophobicContact CD1-CD1 3.75Å; F239-Y247 AromaticContact CD1-CE1 3.17Å; F239-Y247 HydrophobicContact CD1-CE1 3.17Å; F239-Y247 HydrophobicContact CD1-CE2 4.43Å; F239-Y247 AromaticContact CD1-CZ 3.55Å; F239-Y247 AromaticContact CE1-CE1 3.78Å; F239-Y247 HydrophobicContact CE1-CE1 3.78Å; F239-Y247 HydrophobicContact CG-CD1 4.1Å; F239-Y247 AromaticContact CG-CE1 3.98Å; F239-Y247 HydrophobicContact CG-CE1 3.98Å; F239-E252 HydrophobicContact CE1-CB 3.89Å; F239-E252 HydrophobicContact CE1-CG 3.66Å; F239-E252 HydrophobicContact CZ-CB 4.4Å; F239-E252 HydrophobicContact CZ-CG 4.22Å; F239-I254 HydrophobicContact CE2-CD1 4.1Å; F239-I254 HydrophobicContact CZ-CD1 3.89Å; F239-V264 HydrophobicContact CZ-CB 4.43Å; F239-V264 HydrophobicContact CZ-CG1 4.47Å; F239-V264 HydrophobicContact CZ-CG2 4.19Å; F239-L269 HydrophobicContact CD2-CD2 4.14Å; F239-L269 HydrophobicContact CE2-CD2 4.49Å
240A94.9Very high93.5Very high47 Ų4752.4 Ų52.439%0.38828%0.284SS..EExtended strand (participates in β ladder)trans-74124.4-176.400000110.5A208 L238A208-A240 VanDerWaalsContact O-CA 3.32Å; A208-A240 WeakPolarHBondContact O-CA 3.23Å; L238-A240 PolarHBondContact O-N 3.1Å; L238-A240 VanDerWaalsContact O-N 3.13Å
241A96.4Very high93.4Very high7 Ų753.2 Ų53.26%0.05828%0.282CS..EExtended strand (participates in β ladder)trans-139.8154.3174.100000110.8T207 A208 F239 D283T207-A241 CarbonylContact C-O 3.58Å; T207-A241 VanDerWaalsContact CA-O 3.27Å; T207-A241 WeakPolarHBondContact CA-O 3.25Å; T207-A241 WeakPolarHBondContact CB-O 3.32Å; A208-A241 PolarHBondContact N-O 3.18Å; A208-A241 PolarHBondContact O-N 2.99Å; F239-A241 PolarHBondContact O-N 2.04Å; A241-D283 HydrophobicContact CB-CB 4.36Å
242K96.5Very high93.3Very high128 Ų12853.3 Ų53.356%0.55728%0.282SS*.EExtended strand (participates in β ladder)trans-65.1148.9172.6-69.1-179.8-179176.80110.5G244 H245 D283K242-G244 PolarHBondContact O-N 2.64Å; K242-H245 HydrophobicContact CB-CB 4.26Å; K242-H245 WeakPolarHBondContact O-CB 3.45Å; K242-H245 PolarHBondContact O-N 2.79Å; K242-D283 PolarHBondContact N-OD2 3.44Å; K242-D283 VanDerWaalsContact N-OD2 3.1Å
243I95.1Very high93.3Very high23 Ų2350.7 Ų50.712%0.11828%0.279CS..THydrogen-bonded Turntrans-61.8125.5176.4-65.5-70.9000109.8K201 N206 A208 F272 N273K201-I243 HydrophobicContact CD-CD1 3.8Å; K201-I243 HydrophobicContact CD-CG1 4.36Å; K201-I243 HydrophobicContact CG-CD1 3.84Å; K201-I243 HydrophobicContact CG-CG1 4.36Å; N206-I243 WeakPolarHBondContact O-CG1 3.27Å; N206-I243 PolarHBondContact O-N 2.89Å; N206-I243 WeakPolarHBondContact OD1-CB 3.48Å; N206-I243 WeakPolarHBondContact OD1-CG1 3.22Å; A208-I243 HydrophobicContact CB-CD1 3.88Å; I243-F272 HydrophobicContact CD1-CB 4.2Å; I243-F272 HydrophobicContact CD1-CD2 4.15Å; I243-F272 HydrophobicContact CD1-CG 4.49Å; I243-N273 HydrophobicContact CG2-CB 3.58Å
244G94.3Very high93.3Very high20 Ų2048.6 Ų48.621%0.20627%0.268CS..THydrogen-bonded Turntrans92.1-7.2-173.400000114.6K242 Q270 G280K242-G244 PolarHBondContact O-N 2.64Å; G244-Q270 PolarHBondContact O-NE2 3.06Å; G244-G280 WeakPolarHBondContact O-CA 3.41Å
245H96.6Very high93.6Very high52 Ų5250.6 Ų50.624%0.24127%0.272CS..SBendtrans-101.3166.2170.9-70.3-148.6000110.3K242 Q270 R281 D283K242-H245 HydrophobicContact CB-CB 4.26Å; K242-H245 WeakPolarHBondContact O-CB 3.45Å; K242-H245 PolarHBondContact O-N 2.79Å; H245-Q270 VanDerWaalsContact O-CD 3.23Å; H245-Q270 WeakPolarHBondContact O-CG 3.29Å; H245-Q270 PolarHBondContact O-OE1 3.22Å; H245-R281 CarbonylContact C-O 3.45Å; H245-R281 WeakPolarHBondContact CA-O 3.34Å; H245-R281 VanDerWaalsContact CB-O 3.3Å; H245-R281 WeakPolarHBondContact CB-O 3.27Å; H245-D283 WeakPolarHBondContact CB-OD2 3.41Å; H245-D283 IonicContact CE1-OD1 2.76Å; H245-D283 IonicContact CG-OD1 2.8Å; H245-D283 IonicContact CG-OD2 3.38Å; H245-D283 IonicContact ND1-OD1 3.75Å; H245-D283 PolarHBondContact ND1-OD1 3.4Å; H245-D283 IonicContact ND1-OD2 2.7Å; H245-D283 PolarHBondContact ND1-OD2 3.28Å
246S97.4Very high94.1Very high0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-111.6133.9172.364.90000110.1R268 L269 G280 R281 P282 D283S246-R268 PolarHBondContact OG-NE 2.97Å; S246-L269 CarbonylContact C-O 3.54Å; S246-L269 VanDerWaalsContact CA-O 3.27Å; S246-L269 WeakPolarHBondContact CA-O 3.48Å; S246-G280 PolarHBondContact OG-O 2.97Å; S246-R281 PolarHBondContact N-O 3.27Å; S246-P282 CarbonylContact O-C 3.53Å; S246-P282 VanDerWaalsContact O-CA 3.23Å; S246-P282 WeakPolarHBondContact O-CA 3.41Å; S246-D283 PolarHBondContact O-N 3.15Å
247Y97.2Very high94.4Very high12 Ų1246.2 Ų46.25%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-66.8145.1164.7175-97.9000109.9F239 C249 E252 N267 R268 L269 C285F239-Y247 HydrophobicContact CB-CD1 3.91Å; F239-Y247 HydrophobicContact CB-CE1 4.16Å; F239-Y247 HydrophobicContact CB-CG 4.07Å; F239-Y247 AromaticContact CD1-CD1 3.75Å; F239-Y247 HydrophobicContact CD1-CD1 3.75Å; F239-Y247 AromaticContact CD1-CE1 3.17Å; F239-Y247 HydrophobicContact CD1-CE1 3.17Å; F239-Y247 HydrophobicContact CD1-CE2 4.43Å; F239-Y247 AromaticContact CD1-CZ 3.55Å; F239-Y247 AromaticContact CE1-CE1 3.78Å; F239-Y247 HydrophobicContact CE1-CE1 3.78Å; F239-Y247 HydrophobicContact CG-CD1 4.1Å; F239-Y247 AromaticContact CG-CE1 3.98Å; F239-Y247 HydrophobicContact CG-CE1 3.98Å; Y247-C249 HydrophobicContact CE1-CB 3.67Å; Y247-C249 WeakPolarHBondContact OH-CB 3.37Å; Y247-E252 PolarHBondContact OH-OE2 3.08Å; Y247-N267 WeakPolarHBondContact CD1-OD1 3.46Å; Y247-N267 WeakPolarHBondContact CE1-OD1 3.31Å; Y247-R268 CarbonylContact O-C 3.42Å; Y247-R268 WeakPolarHBondContact O-CA 3.41Å; Y247-L269 HydrophobicContact CD1-CD1 4.2Å; Y247-L269 PolarHBondContact N-O 3.37Å; Y247-L269 PolarHBondContact O-N 3.45Å; Y247-C285 HydrophobicContact CE2-CB 3.67Å; Y247-C285 WeakPolarHBondContact OH-CB 3.29Å
248S96.6Very high94.4Very high37 Ų3746.7 Ų46.726%0.25925%0.251SS..EExtended strand (participates in β ladder)trans-141.2131.2176.8-167.50000111.1N267 D283 P284 C285S248-N267 WeakPolarHBondContact CA-O 3.43Å; S248-D283 PolarHBondContact N-O 3.11Å; S248-P284 CarbonylContact O-C 3.56Å; S248-P284 WeakPolarHBondContact O-CA 3.37Å; S248-C285 PolarHBondContact O-N 3.41Å
249C96Very high94.4Very high3 Ų345.7 Ų45.72%0.0225%0.25CS..EExtended strand (participates in β ladder)trans-153.7142.5175.6-158.20000111.9Y247 N267 C285 D288Y247-C249 HydrophobicContact CE1-CB 3.67Å; Y247-C249 WeakPolarHBondContact OH-CB 3.37Å; C249-N267 VanDerWaalsContact CB-OD1 3.29Å; C249-N267 WeakPolarHBondContact CB-OD1 3.27Å; C249-N267 PolarHBondContact N-O 3.26Å; C249-N267 PolarHBondContact N-OD1 2.82Å; C249-N267 PolarHBondContact O-N 3.15Å; C249-N267 PolarHBondContact O-OD1 3.38Å; C249-C285 VanDerWaalsContact CA-SG 3.53Å; C249-C285 HydrophobicContact CB-CB 3.53Å; C249-C285 WeakPolarHBondContact CB-SG 3.33Å; C249-C285 WeakPolarHBondContact SG-CB 3.44Å; C249-C285 CovalentContact SG-SG 2.04Å; C249-C285 PolarHBondContact SG-SG 3.5Å; C249-D288 WeakPolarHBondContact CA-OD2 3.34Å
250K94.6Very high94.5Very high129 Ų12945.4 Ų45.456%0.56125%0.249SC*.EExtended strand (participates in β ladder)trans-67.9-47.8175.9-72.9177.8-170.6165.10113.1S265 N266 D288K250-S265 CarbonylContact O-C 3.59Å; K250-S265 VanDerWaalsContact O-CA 3.22Å; K250-S265 WeakPolarHBondContact O-CA 3.2Å; K250-N266 PolarHBondContact O-N 3.49Å; K250-D288 WeakPolarHBondContact CD-OD1 3.44Å; K250-D288 PolarHBondContact N-OD2 2.74Å
251D93.2Very high94.5Very high100 Ų10043.9 Ų43.954%0.53524%0.236SC..EExtended strand (participates in β ladder)trans-146.7132.5-178.5-71-64.5000110V264 S265D251-V264 CarbonylContact C-O 3.58Å; D251-V264 WeakPolarHBondContact CA-O 3.24Å; D251-S265 VanDerWaalsContact OD1-CB 3.32Å; D251-S265 WeakPolarHBondContact OD1-CB 3.4Å; D251-S265 PolarHBondContact OD1-OG 2.92Å
252E93.5Very high94.5Very high41 Ų4143.6 Ų43.619%0.19223%0.233CC..EExtended strand (participates in β ladder)trans-134.6135.5172.5-17082.5-163.300109.3L238 F239 Y247 I254 E263 V264L238-E252 HydrophobicContact CD1-CG 4.17Å; F239-E252 HydrophobicContact CE1-CB 3.89Å; F239-E252 HydrophobicContact CE1-CG 3.66Å; F239-E252 HydrophobicContact CZ-CB 4.4Å; F239-E252 HydrophobicContact CZ-CG 4.22Å; Y247-E252 PolarHBondContact OH-OE2 3.08Å; E252-I254 HydrophobicContact CG-CG1 4.47Å; E252-E263 WeakPolarHBondContact O-CA 3.02Å; E252-V264 HydrophobicContact CB-CB 4.5Å; E252-V264 PolarHBondContact N-O 2.82Å; E252-V264 PolarHBondContact O-N 3.42Å
253S93.9Very high94.5Very high63 Ų6339.2 Ų39.244%0.44122%0.215SC..EExtended strand (participates in β ladder)trans-114.3123.8174.7-175.70000110.7E263S253-E263 WeakPolarHBondContact CB-OE1 3.21Å; S253-E263 WeakPolarHBondContact CB-OE2 3.41Å; S253-E263 VanDerWaalsContact OG-CD 3.25Å; S253-E263 PolarHBondContact OG-OE1 2.92Å
254I94.6Very high94.6Very high3 Ų338.1 Ų38.12%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-110.1111.7179.9-52.8179.1000108.3L210 V213 V236 L238 F239 E252 L256 S261 L262 V264L210-I254 HydrophobicContact CD2-CD1 3.98Å; V213-I254 HydrophobicContact CG2-CD1 4.19Å; V236-I254 HydrophobicContact CG1-CG2 3.68Å; V236-I254 HydrophobicContact CG2-CG2 4.5Å; L238-I254 HydrophobicContact CD1-CD1 4Å; L238-I254 HydrophobicContact CD1-CG1 3.68Å; F239-I254 HydrophobicContact CE2-CD1 4.1Å; F239-I254 HydrophobicContact CZ-CD1 3.89Å; E252-I254 HydrophobicContact CG-CG1 4.47Å; I254-L256 HydrophobicContact CG2-CD1 4.5Å; I254-L256 VanDerWaalsContact O-CD1 3.23Å; I254-L256 WeakPolarHBondContact O-CD1 3.33Å; I254-S261 CarbonylContact O-C 3.55Å; I254-S261 VanDerWaalsContact O-CA 3.25Å; I254-S261 WeakPolarHBondContact O-CA 3.37Å; I254-L262 HydrophobicContact CB-CB 4.36Å; I254-L262 PolarHBondContact N-O 3.38Å; I254-L262 PolarHBondContact O-N 3.25Å; I254-V264 HydrophobicContact CD1-CG2 4.4Å
255F93.8Very high94.6Very high125 Ų12537.6 Ų37.655%0.54820%0.202SC..EExtended strand (participates in β ladder)trans-78.5127.2174.3-175.1-109.8000110.8N233N233-F255 PolarHBondContact ND2-O 3.05Å
256L92.4Very high94.5Very high10 Ų1039 Ų395%0.05221%0.211CC..EExtended strand (participates in β ladder)trans-106.8-13.8-178.9-66102.9000114.2V213 F215 E231 I254 L260 L262V213-L256 HydrophobicContact CB-CD2 4.4Å; V213-L256 HydrophobicContact CG1-CD2 4.07Å; F215-L256 HydrophobicContact CD1-CD1 4.19Å; F215-L256 HydrophobicContact CD1-CD2 3.59Å; F215-L256 HydrophobicContact CD1-CG 4.38Å; F215-L256 HydrophobicContact CE1-CB 4.15Å; F215-L256 HydrophobicContact CE1-CD1 3.87Å; F215-L256 HydrophobicContact CE1-CD2 3.78Å; F215-L256 HydrophobicContact CE1-CG 4.14Å; E231-L256 HydrophobicContact CB-CB 3.73Å; E231-L256 HydrophobicContact CB-CD2 4.48Å; I254-L256 HydrophobicContact CG2-CD1 4.5Å; I254-L256 VanDerWaalsContact O-CD1 3.23Å; I254-L256 WeakPolarHBondContact O-CD1 3.33Å; L256-L260 PolarHBondContact N-O 3.12Å; L256-L262 HydrophobicContact CD1-CB 3.64Å
257G90.6Very high94.4Very high16 Ų1639.1 Ų39.117%0.16521%0.212CC..EExtended strand (participates in β ladder)trans119.6164.4-17700000112.6G259 L260G257-G259 PolarHBondContact O-N 3.14Å; G257-L260 WeakPolarHBondContact O-CB 3.03Å; G257-L260 PolarHBondContact O-N 3.49Å
258N90.1Very high94.4Very high118 Ų11842 Ų4263%0.63122%0.223SC*.THydrogen-bonded Turntrans53.927.1174.5-63.1-35.1000115.7E231 L260E231-N258 PolarHBondContact OE1-ND2 3.25Å; N258-L260 VanDerWaalsContact C-N 3.29Å
259G91.8Very high94.4Very high18 Ų1840.6 Ų40.619%0.18621%0.212CC..THydrogen-bonded Turntrans80.15.9-176.600000114.3L157 S158 G257L157-G259 CarbonylContact C-O 3.56Å; L157-G259 WeakPolarHBondContact CA-O 3.48Å; S158-G259 PolarHBondContact N-O 3.04Å; S158-G259 VanDerWaalsContact O-CA 3.27Å; S158-G259 WeakPolarHBondContact O-CA 3.36Å; G257-G259 PolarHBondContact O-N 3.14Å
260L94.9Very high94.4Very high2 Ų240.7 Ų40.71%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-91.2127.4176.9-72152.4000110.8I155 K156 L157 F215 L221 Y229 E231 L256 G257 N258I155-L260 HydrophobicContact CG2-CD2 3.98Å; K156-L260 CarbonylContact O-C 3.54Å; K156-L260 VanDerWaalsContact O-CA 3.32Å; K156-L260 WeakPolarHBondContact O-CA 3.46Å; L157-L260 HydrophobicContact CB-CD2 3.91Å; L157-L260 HydrophobicContact CD1-CD2 3.92Å; L157-L260 HydrophobicContact CD1-CG 3.82Å; L157-L260 HydrophobicContact CG-CD2 4.49Å; F215-L260 HydrophobicContact CE1-CB 4.45Å; F215-L260 HydrophobicContact CZ-CB 4.08Å; F215-L260 HydrophobicContact CZ-CD1 3.99Å; F215-L260 HydrophobicContact CZ-CD2 4.06Å; F215-L260 HydrophobicContact CZ-CG 4.24Å; L221-L260 HydrophobicContact CD1-CD2 4.05Å; Y229-L260 HydrophobicContact CD1-CD1 3.86Å; Y229-L260 HydrophobicContact CG-CD1 4.21Å; E231-L260 HydrophobicContact CG-CB 4.41Å; E231-L260 HydrophobicContact CG-CD1 3.56Å; L256-L260 PolarHBondContact N-O 3.12Å; G257-L260 WeakPolarHBondContact O-CB 3.03Å; G257-L260 PolarHBondContact O-N 3.49Å; N258-L260 VanDerWaalsContact C-N 3.29Å
261S95.7Very high94.5Very high15 Ų1534.9 Ų34.911%0.10519%0.188CC..EExtended strand (participates in β ladder)trans-122.6146168.565.90000111.1I155 K156 I254 E263I155-S261 WeakPolarHBondContact CA-O 3.41Å; K156-S261 PolarHBondContact N-O 2.92Å; K156-S261 PolarHBondContact O-N 3.43Å; I254-S261 CarbonylContact O-C 3.55Å; I254-S261 VanDerWaalsContact O-CA 3.25Å; I254-S261 WeakPolarHBondContact O-CA 3.37Å; S261-E263 PolarHBondContact OG-OE1 3.24Å
262L96.8Very high94.5Very high0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-99.6116.7165.3178.867.9000107.6L153 I155 I195 F197 V213 I254 L256 V264L153-L262 HydrophobicContact CD2-CD1 4.22Å; I155-L262 HydrophobicContact CG1-CD1 3.9Å; I195-L262 HydrophobicContact CD1-CD1 4.03Å; I195-L262 HydrophobicContact CG2-CD2 4.21Å; F197-L262 HydrophobicContact CE1-CD2 3.78Å; F197-L262 HydrophobicContact CZ-CD2 3.86Å; V213-L262 HydrophobicContact CG1-CD2 3.9Å; I254-L262 HydrophobicContact CB-CB 4.36Å; I254-L262 PolarHBondContact N-O 3.38Å; I254-L262 PolarHBondContact O-N 3.25Å; L256-L262 HydrophobicContact CD1-CB 3.64Å; L262-V264 HydrophobicContact CD2-CG2 4.29Å; L262-V264 HydrophobicContact CG-CG2 4.1Å
263E95.8Very high94.3Very high37 Ų3733.2 Ų33.217%0.17318%0.179CC..EExtended strand (participates in β ladder)trans-101.1128177.1-52.5-78.8150.300108.3K154 K156 E252 S253 S261K154-E263 HydrophobicContact CD-CB 4.13Å; K154-E263 HydrophobicContact CD-CG 4.45Å; K154-E263 HydrophobicContact CG-CB 3.56Å; K154-E263 HydrophobicContact CG-CG 4.07Å; K154-E263 PolarHBondContact N-O 2.87Å; K154-E263 PolarHBondContact O-N 2.93Å; K156-E263 HydrophobicContact CB-CG 4.49Å; E252-E263 WeakPolarHBondContact O-CA 3.02Å; S253-E263 WeakPolarHBondContact CB-OE1 3.21Å; S253-E263 WeakPolarHBondContact CB-OE2 3.41Å; S253-E263 VanDerWaalsContact OG-CD 3.25Å; S253-E263 PolarHBondContact OG-OE1 2.92Å; S261-E263 PolarHBondContact OG-OE1 3.24Å
264V96.3Very high94.2Very high0 Ų030.6 Ų30.60%016%0.16CC..EExtended strand (participates in β ladder)trans-121.1111.5-174.9-167.70000108.2M151 A152 L153 F239 D251 E252 I254 L262 N267M151-V264 HydrophobicContact CB-CG1 3.75Å; M151-V264 HydrophobicContact CG-CG1 4.38Å; M151-V264 HydrophobicContact SD-CG1 3.79Å; A152-V264 WeakPolarHBondContact O-CA 3.41Å; L153-V264 HydrophobicContact CD2-CB 4.17Å; L153-V264 HydrophobicContact CD2-CG1 3.83Å; L153-V264 HydrophobicContact CD2-CG2 3.75Å; F239-V264 HydrophobicContact CZ-CB 4.43Å; F239-V264 HydrophobicContact CZ-CG1 4.47Å; F239-V264 HydrophobicContact CZ-CG2 4.19Å; D251-V264 CarbonylContact C-O 3.58Å; D251-V264 WeakPolarHBondContact CA-O 3.24Å; E252-V264 HydrophobicContact CB-CB 4.5Å; E252-V264 PolarHBondContact N-O 2.82Å; E252-V264 PolarHBondContact O-N 3.42Å; I254-V264 HydrophobicContact CD1-CG2 4.4Å; L262-V264 HydrophobicContact CD2-CG2 4.29Å; L262-V264 HydrophobicContact CG-CG2 4.1Å; V264-N267 HydrophobicContact CG1-CB 3.65Å
265S95.7Very high93.9Very high9 Ų934 Ų346%0.06318%0.182CC..EExtended strand (participates in β ladder)trans-109.7152.5-179.3-59.30000111.8A152 K250 D251 N267A152-S265 PolarHBondContact N-O 3.03Å; A152-S265 PolarHBondContact O-N 2.85Å; K250-S265 CarbonylContact O-C 3.59Å; K250-S265 VanDerWaalsContact O-CA 3.22Å; K250-S265 WeakPolarHBondContact O-CA 3.2Å; D251-S265 VanDerWaalsContact OD1-CB 3.32Å; D251-S265 WeakPolarHBondContact OD1-CB 3.4Å; D251-S265 PolarHBondContact OD1-OG 2.92Å; S265-N267 VanDerWaalsContact C-N 3.29Å; S265-N267 PolarHBondContact O-N 2.94Å
266N94.1Very high93.5Very high82 Ų8236.8 Ų36.844%0.43919%0.193SC..EExtended strand (participates in β ladder)trans43.854-177.7-62.3-23000112.1E133 K250E133-N266 HydrophobicContact CG-CB 3.94Å; E133-N266 WeakPolarHBondContact OE1-CB 3.49Å; E133-N266 VanDerWaalsContact OE1-CG 3.28Å; E133-N266 PolarHBondContact OE1-ND2 2.94Å; K250-N266 PolarHBondContact O-N 3.49Å
267N94.8Very high93.4Very high2 Ų240.1 Ų40.11%0.01121%0.212CC..EExtended strand (participates in β ladder)trans-89.6136-170.480.341.2000111.1Q150 M151 Y247 S248 C249 V264 S265 L269Q150-N267 CarbonylContact O-C 3.52Å; Q150-N267 VanDerWaalsContact O-CA 3.28Å; Q150-N267 WeakPolarHBondContact O-CA 3.28Å; M151-N267 HydrophobicContact CB-CB 4.04Å; Y247-N267 WeakPolarHBondContact CD1-OD1 3.46Å; Y247-N267 WeakPolarHBondContact CE1-OD1 3.31Å; S248-N267 WeakPolarHBondContact CA-O 3.43Å; C249-N267 VanDerWaalsContact CB-OD1 3.29Å; C249-N267 WeakPolarHBondContact CB-OD1 3.27Å; C249-N267 PolarHBondContact N-O 3.26Å; C249-N267 PolarHBondContact N-OD1 2.82Å; C249-N267 PolarHBondContact O-N 3.15Å; C249-N267 PolarHBondContact O-OD1 3.38Å; V264-N267 HydrophobicContact CG1-CB 3.65Å; S265-N267 VanDerWaalsContact C-N 3.29Å; S265-N267 PolarHBondContact O-N 2.94Å; N267-L269 HydrophobicContact CB-CD1 3.77Å
268R97.1Very high93.5Very high73 Ų7345.4 Ų45.428%0.27523%0.232SC..EExtended strand (participates in β ladder)trans-141.2117.6167.9-167.9175-178-175.8-2.5109.1Q150 S246 Y247 F279 G280Q150-R268 HydrophobicContact CB-CB 4.37Å; Q150-R268 PolarHBondContact N-O 2.79Å; Q150-R268 PolarHBondContact O-N 3.42Å; S246-R268 PolarHBondContact OG-NE 2.97Å; Y247-R268 CarbonylContact O-C 3.42Å; Y247-R268 WeakPolarHBondContact O-CA 3.41Å; R268-F279 HydrophobicContact CB-CE2 4.48Å; R268-F279 HydrophobicContact CB-CZ 4.26Å; R268-F279 HydrophobicContact CG-CD1 4.05Å; R268-F279 HydrophobicContact CG-CD2 4.28Å; R268-F279 HydrophobicContact CG-CE1 4.04Å; R268-F279 HydrophobicContact CG-CE2 4.27Å; R268-F279 HydrophobicContact CG-CG 4.16Å; R268-F279 HydrophobicContact CG-CZ 4.15Å; R268-F279 VanDerWaalsContact CZ-CB 3.42Å; R268-F279 VanDerWaalsContact NH2-CB 3.33Å; R268-F279 WeakPolarHBondContact O-CE1 3.21Å; R268-F279 VanDerWaalsContact O-CZ 3.28Å; R268-F279 WeakPolarHBondContact O-CZ 3.25Å; R268-G280 PolarHBondContact NH2-O 3.02Å
269L96.2Very high93.8Very high6 Ų641.6 Ų41.63%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-131.8140.8-171.8-64.994.4000111.6M148 A149 M151 F199 F239 S246 Y247 N267M148-L269 WeakPolarHBondContact O-CA 3.47Å; A149-L269 HydrophobicContact CB-CD2 4.33Å; A149-L269 HydrophobicContact CB-CG 4.34Å; M151-L269 HydrophobicContact CE-CD2 3.72Å; M151-L269 HydrophobicContact CE-CG 4.39Å; M151-L269 HydrophobicContact SD-CD2 4.41Å; F199-L269 HydrophobicContact CE1-CD2 4.17Å; F199-L269 HydrophobicContact CZ-CD2 3.76Å; F239-L269 HydrophobicContact CD2-CD2 4.14Å; F239-L269 HydrophobicContact CE2-CD2 4.49Å; S246-L269 CarbonylContact C-O 3.54Å; S246-L269 VanDerWaalsContact CA-O 3.27Å; S246-L269 WeakPolarHBondContact CA-O 3.48Å; Y247-L269 HydrophobicContact CD1-CD1 4.2Å; Y247-L269 PolarHBondContact N-O 3.37Å; Y247-L269 PolarHBondContact O-N 3.45Å; N267-L269 HydrophobicContact CB-CD1 3.77Å
270Q96.9Very high94Very high6 Ų641.7 Ų41.73%0.02821%0.21CC..EExtended strand (participates in β ladder)trans-147133.9173.8-178165.6-15.600110.2L147 M148 G244 H245 N273 V274 F279L147-Q270 CarbonylContact C-O 3.53Å; L147-Q270 VanDerWaalsContact CA-O 3.28Å; L147-Q270 WeakPolarHBondContact CA-O 3.44Å; M148-Q270 PolarHBondContact N-O 2.88Å; M148-Q270 PolarHBondContact O-N 2.87Å; G244-Q270 PolarHBondContact O-NE2 3.06Å; H245-Q270 VanDerWaalsContact O-CD 3.23Å; H245-Q270 WeakPolarHBondContact O-CG 3.29Å; H245-Q270 PolarHBondContact O-OE1 3.22Å; Q270-N273 PolarHBondContact NE2-O 3.18Å; Q270-V274 HydrophobicContact CB-CG2 4.44Å; Q270-V274 HydrophobicContact CG-CG2 3.91Å; Q270-F279 HydrophobicContact CB-CD1 3.88Å; Q270-F279 HydrophobicContact CB-CE1 4.14Å
271A95.4Very high94Very high7 Ų750.3 Ų50.36%0.05824%0.243CC..EExtended strand (participates in β ladder)trans-128.8160.3-179.800000111.7C146 L147 F199 N273C146-A271 CarbonylContact O-C 3.54Å; L147-A271 HydrophobicContact CD1-CB 4.08Å; L147-A271 HydrophobicContact CG-CB 4.2Å; F199-A271 HydrophobicContact CB-CB 4.39Å; F199-A271 HydrophobicContact CD1-CB 4.46Å; F199-A271 HydrophobicContact CG-CB 4.34Å; A271-N273 VanDerWaalsContact C-N 3.3Å; A271-N273 PolarHBondContact O-N 2.96Å
272F93.5Very high94.1Very high33 Ų3352.6 Ų52.615%0.14526%0.257CS..SBendtrans69.9-61.5176.9-51.5-80.5000115.9C146 A184 F199 K201 A208 I243C146-F272 PolarHBondContact O-N 3.05Å; A184-F272 HydrophobicContact CB-CE1 3.92Å; A184-F272 HydrophobicContact CB-CZ 4.03Å; F199-F272 HydrophobicContact CB-CE2 4.17Å; F199-F272 HydrophobicContact CB-CZ 4.26Å; K201-F272 HydrophobicContact CB-CD1 4.38Å; K201-F272 HydrophobicContact CB-CD2 4.06Å; K201-F272 HydrophobicContact CB-CE1 4.16Å; K201-F272 HydrophobicContact CB-CE2 3.81Å; K201-F272 HydrophobicContact CB-CG 4.34Å; K201-F272 HydrophobicContact CB-CZ 3.86Å; K201-F272 HydrophobicContact CD-CG 4.39Å; A208-F272 HydrophobicContact CB-CD2 3.65Å; A208-F272 HydrophobicContact CB-CE2 3.8Å; I243-F272 HydrophobicContact CD1-CB 4.2Å; I243-F272 HydrophobicContact CD1-CD2 4.15Å; I243-F272 HydrophobicContact CD1-CG 4.49Å
273N90.9Very high94Very high73 Ų7354.3 Ų54.339%0.3927%0.267SS..  trans-116.289.4-175.8-171.112.3000110.2I243 Q270 A271I243-N273 HydrophobicContact CG2-CB 3.58Å; Q270-N273 PolarHBondContact NE2-O 3.18Å; A271-N273 VanDerWaalsContact C-N 3.3Å; A271-N273 PolarHBondContact O-N 2.96Å
274V91.1Very high94Very high7 Ų755.5 Ų55.54%0.04228%0.278CS..  trans-107117.5172179.80000107.5V145 M148 Q270V145-V274 HydrophobicContact CB-CB 4.45Å; V145-V274 HydrophobicContact CB-CG1 4.16Å; V145-V274 HydrophobicContact CG1-CB 4.34Å; V145-V274 HydrophobicContact CG1-CG1 4.09Å; V145-V274 HydrophobicContact CG1-CG2 4.36Å; V145-V274 WeakPolarHBondContact O-CB 3.41Å; M148-V274 HydrophobicContact CG-CG1 4.13Å; M148-V274 HydrophobicContact CG-CG2 4.3Å; M148-V274 HydrophobicContact SD-CG1 3.54Å; M148-V274 VanDerWaalsContact SD-CG1 3.54Å; Q270-V274 HydrophobicContact CB-CG2 4.44Å; Q270-V274 HydrophobicContact CG-CG2 3.91Å
275T87.1Confident93.8Very high76 Ų7655.6 Ų55.647%0.46628%0.278SS..SBendtrans-101.2142.4-18056.70000109.7N277 E278T275-N277 PolarHBondContact O-N 3.02Å; T275-N277 VanDerWaalsContact O-N 3.11Å; T275-E278 PolarHBondContact O-N 3.45Å
276K87Confident93.6Very high182 Ų18260.5 Ų60.579%0.79131%0.309SS*.THydrogen-bonded Turntrans59.715.3-179.9-52177.9-179.5178.40115.2E278K276-E278 PolarHBondContact O-N 3.17Å
277N89Confident93.3Very high81 Ų8160.5 Ų60.543%0.43332%0.321SS..THydrogen-bonded Turntrans5728.8-173.8-58.8-23.3000113.5V145 T275V145-N277 HydrophobicContact CB-CB 4.45Å; V145-N277 WeakPolarHBondContact CB-OD1 3.03Å; V145-N277 HydrophobicContact CG2-CB 3.9Å; V145-N277 VanDerWaalsContact CG2-OD1 3.31Å; V145-N277 WeakPolarHBondContact CG2-OD1 3.07Å; V145-N277 PolarHBondContact N-OD1 3.32Å; V145-N277 VanDerWaalsContact N-OD1 3.15Å; T275-N277 PolarHBondContact O-N 3.02Å; T275-N277 VanDerWaalsContact O-N 3.11Å
278E93.4Very high93.1Very high127 Ų12763.2 Ų63.259%0.59334%0.335SS*.SBendtrans-125.4154178.6-70.3178173.600110.7T275 K276 G280T275-E278 PolarHBondContact O-N 3.45Å; K276-E278 PolarHBondContact O-N 3.17Å; E278-G280 PolarHBondContact O-N 3.45Å
279F96.2Very high92.6Very high38 Ų3864.9 Ų64.917%0.16735%0.346CS..  trans-63.8135.9171.2-73.3-67.9000110.8M148 Q150 R268 Q270M148-F279 HydrophobicContact CB-CD1 4.08Å; M148-F279 HydrophobicContact CB-CE1 3.43Å; M148-F279 VanDerWaalsContact CB-CE1 3.43Å; M148-F279 HydrophobicContact CB-CE2 4.44Å; M148-F279 HydrophobicContact CB-CZ 3.64Å; M148-F279 HydrophobicContact CE-CD2 4.25Å; M148-F279 HydrophobicContact CE-CE2 4.16Å; M148-F279 HydrophobicContact CE-CZ 4.47Å; Q150-F279 HydrophobicContact CB-CE2 4.16Å; Q150-F279 HydrophobicContact CB-CZ 4.14Å; R268-F279 HydrophobicContact CB-CE2 4.48Å; R268-F279 HydrophobicContact CB-CZ 4.26Å; R268-F279 HydrophobicContact CG-CD1 4.05Å; R268-F279 HydrophobicContact CG-CD2 4.28Å; R268-F279 HydrophobicContact CG-CE1 4.04Å; R268-F279 HydrophobicContact CG-CE2 4.27Å; R268-F279 HydrophobicContact CG-CG 4.16Å; R268-F279 HydrophobicContact CG-CZ 4.15Å; R268-F279 VanDerWaalsContact CZ-CB 3.42Å; R268-F279 VanDerWaalsContact NH2-CB 3.33Å; R268-F279 WeakPolarHBondContact O-CE1 3.21Å; R268-F279 VanDerWaalsContact O-CZ 3.28Å; R268-F279 WeakPolarHBondContact O-CZ 3.25Å; Q270-F279 HydrophobicContact CB-CD1 3.88Å; Q270-F279 HydrophobicContact CB-CE1 4.14Å
280G95.8Very high91.9Very high19 Ų1968.3 Ų68.320%0.19637%0.369CS..  trans-71-168.7168.500000112.5G244 S246 R268 E278G244-G280 WeakPolarHBondContact O-CA 3.41Å; S246-G280 PolarHBondContact OG-O 2.97Å; R268-G280 PolarHBondContact NH2-O 3.02Å; E278-G280 PolarHBondContact O-N 3.45Å
281R96.3Very high91.2Very high184 Ų18473.2 Ų73.269%0.69440%0.395SS*.SBendtrans-58.1134.2178.4-178.2177.3176.1165.30.9110.5H245 S246H245-R281 CarbonylContact C-O 3.45Å; H245-R281 WeakPolarHBondContact CA-O 3.34Å; H245-R281 VanDerWaalsContact CB-O 3.3Å; H245-R281 WeakPolarHBondContact CB-O 3.27Å; S246-R281 PolarHBondContact N-O 3.27Å
282P96.3Very high90.7Very high63 Ų6379.8 Ų79.841%0.40942%0.42SS..EExtended strand (participates in β ladder)trans-73.2130.9176.828.8-33.5000112.2S246S246-P282 CarbonylContact O-C 3.53Å; S246-P282 VanDerWaalsContact O-CA 3.23Å; S246-P282 WeakPolarHBondContact O-CA 3.41Å
283D95.9Very high90.3Very high36 Ų3687.5 Ų87.519%0.19345%0.448CS..EExtended strand (participates in β ladder)trans-101.8105.5166.6-71.2-13.8000107.4A241 K242 H245 S246 S248A241-D283 HydrophobicContact CB-CB 4.36Å; K242-D283 PolarHBondContact N-OD2 3.44Å; K242-D283 VanDerWaalsContact N-OD2 3.1Å; H245-D283 WeakPolarHBondContact CB-OD2 3.41Å; H245-D283 IonicContact CE1-OD1 2.76Å; H245-D283 IonicContact CG-OD1 2.8Å; H245-D283 IonicContact CG-OD2 3.38Å; H245-D283 IonicContact ND1-OD1 3.75Å; H245-D283 PolarHBondContact ND1-OD1 3.4Å; H245-D283 IonicContact ND1-OD2 2.7Å; H245-D283 PolarHBondContact ND1-OD2 3.28Å; S246-D283 PolarHBondContact O-N 3.15Å; S248-D283 PolarHBondContact N-O 3.11Å
284P94.9Very high90.1Very high62 Ų6289 Ų8940%0.40346%0.459SS..EExtended strand (participates in β ladder)trans-73.2143.8-175.528.7-33.6000111.7S248 Q289S248-P284 CarbonylContact O-C 3.56Å; S248-P284 WeakPolarHBondContact O-CA 3.37Å; P284-Q289 HydrophobicContact CB-CG 4.35Å; P284-Q289 HydrophobicContact CG-CG 4.02Å; P284-Q289 PolarHBondContact O-NE2 3.32Å
285C93.3Very high90Very high1 Ų191.6 Ų91.61%0.00748%0.481CS..  trans-62.9156174.565.40000112.5Y247 S248 C249 A287 D288 Q289Y247-C285 HydrophobicContact CE2-CB 3.67Å; Y247-C285 WeakPolarHBondContact OH-CB 3.29Å; S248-C285 PolarHBondContact O-N 3.41Å; C249-C285 VanDerWaalsContact CA-SG 3.53Å; C249-C285 HydrophobicContact CB-CB 3.53Å; C249-C285 WeakPolarHBondContact CB-SG 3.33Å; C249-C285 WeakPolarHBondContact SG-CB 3.44Å; C249-C285 CovalentContact SG-SG 2.04Å; C249-C285 PolarHBondContact SG-SG 3.5Å; C285-A287 PolarHBondContact O-N 3.02Å; C285-A287 VanDerWaalsContact O-N 3.14Å; C285-D288 PolarHBondContact O-N 3.45Å; C285-Q289 WeakPolarHBondContact O-CG 3.48Å; C285-Q289 PolarHBondContact O-N 3.37Å
286P90Very high90.2Very high112 Ų11293.1 Ų93.173%0.72749%0.486SS*.THydrogen-bonded Turntrans-55.9-31.3178.7-26.835.4000114.2D288 Q289P286-D288 VanDerWaalsContact C-N 3.34Å; P286-Q289 PolarHBondContact O-N 3.47Å
287A88.4Confident90.5Very high82 Ų8287 Ų8768%0.67847%0.469SS*.THydrogen-bonded Turntrans-68.8-30.4178.800000113.5C285C285-A287 PolarHBondContact O-N 3.02Å; C285-A287 VanDerWaalsContact O-N 3.14Å
288D89.8Confident90.8Very high59 Ų5986.7 Ų86.732%0.31647%0.47SS..THydrogen-bonded Turntrans-91.3-7.8177.9-79.4-26.9000112.7C249 K250 C285 P286C249-D288 WeakPolarHBondContact CA-OD2 3.34Å; K250-D288 WeakPolarHBondContact CD-OD1 3.44Å; K250-D288 PolarHBondContact N-OD2 2.74Å; C285-D288 PolarHBondContact O-N 3.45Å; P286-D288 VanDerWaalsContact C-N 3.34Å
289Q86.4Confident90.9Very high108 Ų10882.6 Ų82.651%0.50546%0.462SS..SBendtrans-78131.4178.4-73.7-177.114.300110.7P284 C285 P286 D291P284-Q289 HydrophobicContact CB-CG 4.35Å; P284-Q289 HydrophobicContact CG-CG 4.02Å; P284-Q289 PolarHBondContact O-NE2 3.32Å; C285-Q289 WeakPolarHBondContact O-CG 3.48Å; C285-Q289 PolarHBondContact O-N 3.37Å; P286-Q289 PolarHBondContact O-N 3.47Å; Q289-D291 PolarHBondContact O-N 3.42Å
290P82Confident91Very high78 Ų7884.7 Ų84.751%0.50648%0.478SS..  trans-62.9123.8175.325.4-34.2000110.6Y292P290-Y292 HydrophobicContact CB-CD2 4.22Å; P290-Y292 HydrophobicContact CB-CE1 4.17Å; P290-Y292 HydrophobicContact CB-CE2 3.64Å; P290-Y292 HydrophobicContact CG-CD2 4.08Å; P290-Y292 HydrophobicContact CG-CE2 3.29Å; P290-Y292 PolarHBondContact O-N 3.48Å
291D82.3Confident91Very high109 Ų10987.7 Ų87.758%0.58349%0.492SS*.  trans-79.588.3176.3-168.4-4.7000110.7Q289 R293Q289-D291 PolarHBondContact O-N 3.42Å; D291-R293 PolarHBondContact O-N 3Å; D291-R293 WeakPolarHBondContact OD1-CB 3.38Å; D291-R293 VanDerWaalsContact OD1-CD 3.29Å; D291-R293 WeakPolarHBondContact OD1-CD 3.16Å; D291-R293 WeakPolarHBondContact OD1-CG 3.43Å; D291-R293 PolarHBondContact OD1-N 3.18Å
292Y85.6Confident91.1Very high145 Ų14583.7 Ų83.757%0.56948%0.484SS*.THydrogen-bonded Turntrans-78.82.6174.1-61.8-64.9000113.5P290 V294 A295 I296P290-Y292 HydrophobicContact CB-CD2 4.22Å; P290-Y292 HydrophobicContact CB-CE1 4.17Å; P290-Y292 HydrophobicContact CB-CE2 3.64Å; P290-Y292 HydrophobicContact CG-CD2 4.08Å; P290-Y292 HydrophobicContact CG-CE2 3.29Å; P290-Y292 PolarHBondContact O-N 3.48Å; Y292-V294 VanDerWaalsContact C-N 3.25Å; Y292-V294 PolarHBondContact O-N 3.47Å; Y292-A295 PolarHBondContact O-N 3.46Å; Y292-A295 VanDerWaalsContact O-N 3.15Å; Y292-I296 WeakPolarHBondContact O-CB 3.28Å; Y292-I296 VanDerWaalsContact O-CG1 3.25Å; Y292-I296 WeakPolarHBondContact O-CG1 3.43Å; Y292-I296 PolarHBondContact O-N 3.48Å
293R84.8Confident91.1Very high196 Ų19685.9 Ų85.974%0.7449%0.492SS*.Hα-helixtrans-57.3-41.9-177.1-68.1170.3178.5-126.70.8111.5D291 A297D291-R293 PolarHBondContact O-N 3Å; D291-R293 WeakPolarHBondContact OD1-CB 3.38Å; D291-R293 VanDerWaalsContact OD1-CD 3.29Å; D291-R293 WeakPolarHBondContact OD1-CD 3.16Å; D291-R293 WeakPolarHBondContact OD1-CG 3.43Å; D291-R293 PolarHBondContact OD1-N 3.18Å; R293-A297 VanDerWaalsContact O-CB 3.27Å; R293-A297 WeakPolarHBondContact O-CB 3.31Å; R293-A297 PolarHBondContact O-N 3.45Å
294V86.6Confident91.2Very high103 Ų10386.7 Ų86.762%0.62450%0.498SS*.Hα-helixtrans-66-47.8177.5-1780000110.9Y292 I296 A297 V298Y292-V294 VanDerWaalsContact C-N 3.25Å; Y292-V294 PolarHBondContact O-N 3.47Å; V294-I296 VanDerWaalsContact C-N 3.35Å; V294-I296 PolarHBondContact O-N 3.27Å; V294-A297 PolarHBondContact O-N 3.28Å; V294-V298 WeakPolarHBondContact O-CG2 3.36Å; V294-V298 PolarHBondContact O-N 3.26Å
295A89.4Confident91.3Very high62 Ų6288.5 Ų88.551%0.51250%0.504SS..Hα-helixtrans-62.3-41.518000000112.2Y292 V298 G299Y292-A295 PolarHBondContact O-N 3.46Å; Y292-A295 VanDerWaalsContact O-N 3.15Å; A295-V298 PolarHBondContact O-N 2.91Å; A295-G299 PolarHBondContact O-N 2.93Å
296I91.6Very high91.5Very high109 Ų10993.4 Ų93.456%0.55953%0.529SS*.Hα-helixtrans-66.2-44175.8-65.9165.7000110.2Y292 V294 V298 G299 V300Y292-I296 WeakPolarHBondContact O-CB 3.28Å; Y292-I296 VanDerWaalsContact O-CG1 3.25Å; Y292-I296 WeakPolarHBondContact O-CG1 3.43Å; Y292-I296 PolarHBondContact O-N 3.48Å; V294-I296 VanDerWaalsContact C-N 3.35Å; V294-I296 PolarHBondContact O-N 3.27Å; I296-V298 PolarHBondContact O-N 2.96Å; I296-G299 PolarHBondContact O-N 3.37Å; I296-V300 HydrophobicContact CG2-CG2 4.29Å; I296-V300 VanDerWaalsContact O-CG2 3.29Å; I296-V300 WeakPolarHBondContact O-CG2 3.31Å; I296-V300 PolarHBondContact O-N 3.32Å
297A91.9Very high91.9Very high53 Ų5391.2 Ų91.244%0.43851%0.513SS..Hα-helixtrans-59.6-45.1177.400000111.8R293 V294 V300 T301R293-A297 VanDerWaalsContact O-CB 3.27Å; R293-A297 WeakPolarHBondContact O-CB 3.31Å; R293-A297 PolarHBondContact O-N 3.45Å; V294-A297 PolarHBondContact O-N 3.28Å; A297-V300 PolarHBondContact O-N 3.03Å; A297-T301 WeakPolarHBondContact O-CG2 3.41Å; A297-T301 PolarHBondContact O-N 2.92Å; A297-T301 PolarHBondContact O-OG1 3.48Å
298V96.2Very high92.2Very high75 Ų7590.6 Ų90.646%0.45550%0.498SS..Hα-helixtrans-64-42.2175.5175.40000111.4V294 A295 I296 V300 T301 L302V294-V298 WeakPolarHBondContact O-CG2 3.36Å; V294-V298 PolarHBondContact O-N 3.26Å; A295-V298 PolarHBondContact O-N 2.91Å; I296-V298 PolarHBondContact O-N 2.96Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.06Å; V298-T301 WeakPolarHBondContact CA-OG1 3.39Å; V298-T301 PolarHBondContact O-N 3.01Å; V298-T301 PolarHBondContact O-OG1 2.96Å; V298-L302 HydrophobicContact CG1-CD1 4.04Å; V298-L302 HydrophobicContact CG1-CG 4.45Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 WeakPolarHBondContact O-CG 3.27Å; V298-L302 PolarHBondContact O-N 3Å
299G96.3Very high92.6Very high41 Ų4192.2 Ų92.242%0.42351%0.509SS..Hα-helixtrans-60.6-43176.200000112.6A295 I296 L303A295-G299 PolarHBondContact O-N 2.93Å; I296-G299 PolarHBondContact O-N 3.37Å; G299-L303 WeakPolarHBondContact O-CB 3.35Å; G299-L303 PolarHBondContact O-N 3.32Å
300V96.8Very high93Very high82 Ų8291.6 Ų91.650%0.49751%0.509SS..Hα-helixtrans-68.1-42.7178.7172.90000111.4I296 A297 V298 L302 L303 V304I296-V300 HydrophobicContact CG2-CG2 4.29Å; I296-V300 VanDerWaalsContact O-CG2 3.29Å; I296-V300 WeakPolarHBondContact O-CG2 3.31Å; I296-V300 PolarHBondContact O-N 3.32Å; A297-V300 PolarHBondContact O-N 3.03Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.06Å; V300-L302 PolarHBondContact O-N 3.45Å; V300-L303 PolarHBondContact O-N 3.32Å; V300-V304 HydrophobicContact CG1-CG2 4.42Å; V300-V304 VanDerWaalsContact O-CG2 3.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.32Å; V300-V304 PolarHBondContact O-N 2.93Å
301T96.7Very high93.6Very high81 Ų8192.1 Ų92.150%0.49751%0.507SS..Hα-helixtrans-65.1-40.3178.952.90000112.1A297 V298 V304 L305A297-T301 WeakPolarHBondContact O-CG2 3.41Å; A297-T301 PolarHBondContact O-N 2.92Å; A297-T301 PolarHBondContact O-OG1 3.48Å; V298-T301 WeakPolarHBondContact CA-OG1 3.39Å; V298-T301 PolarHBondContact O-N 3.01Å; V298-T301 PolarHBondContact O-OG1 2.96Å; T301-V304 PolarHBondContact O-N 2.92Å; T301-L305 PolarHBondContact O-N 3.32Å
302L97.4Very high94.2Very high100 Ų10090.6 Ų90.652%0.52450%0.501SS..Hα-helixtrans-64-42.2174.6-71.6175.4000112V298 V300 L305 I306V298-L302 HydrophobicContact CG1-CD1 4.04Å; V298-L302 HydrophobicContact CG1-CG 4.45Å; V298-L302 WeakPolarHBondContact O-CB 3.35Å; V298-L302 WeakPolarHBondContact O-CG 3.27Å; V298-L302 PolarHBondContact O-N 3Å; V300-L302 PolarHBondContact O-N 3.45Å; L302-L305 PolarHBondContact O-N 2.85Å; L302-I306 WeakPolarHBondContact O-CG1 3.42Å; L302-I306 PolarHBondContact O-N 3.36Å
303L97.6Very high94.6Very high110 Ų11090.2 Ų90.258%0.57650%0.5SS*.Hα-helixtrans-63.2-44.8177.7-164160.5000111.2G299 V300 L305 I306 V307G299-L303 WeakPolarHBondContact O-CB 3.35Å; G299-L303 PolarHBondContact O-N 3.32Å; V300-L303 PolarHBondContact O-N 3.32Å; L303-L305 VanDerWaalsContact C-N 3.34Å; L303-L305 PolarHBondContact O-N 2.89Å; L303-I306 PolarHBondContact O-N 3.43Å; L303-V307 HydrophobicContact CD2-CG2 3.93Å; L303-V307 WeakPolarHBondContact O-CG2 3.33Å; L303-V307 PolarHBondContact O-N 3.33Å
304V97.3Very high95Very high52 Ų5286 Ų8632%0.31549%0.491SS..Hα-helixtrans-60.4-43176.2171.40000111.2L15 V300 T301 I306 V307 I308L15-V304 HydrophobicContact CD1-CG1 4.47Å; V300-V304 HydrophobicContact CG1-CG2 4.42Å; V300-V304 VanDerWaalsContact O-CG2 3.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.32Å; V300-V304 PolarHBondContact O-N 2.93Å; T301-V304 PolarHBondContact O-N 2.92Å; V304-I306 PolarHBondContact O-N 2.94Å; V304-V307 PolarHBondContact O-N 2.9Å; V304-I308 HydrophobicContact CG1-CD1 3.87Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 VanDerWaalsContact O-CG1 3.31Å; V304-I308 WeakPolarHBondContact O-CG1 3.45Å; V304-I308 PolarHBondContact O-N 2.87Å
305L97Very high95Very high101 Ų10185 Ų8553%0.52948%0.482SS..Hα-helixtrans-60-45175.9-98.3165.9000112.4T301 L302 L303 V307 I308 V309T301-L305 PolarHBondContact O-N 3.32Å; L302-L305 PolarHBondContact O-N 2.85Å; L303-L305 VanDerWaalsContact C-N 3.34Å; L303-L305 PolarHBondContact O-N 2.89Å; L305-V307 VanDerWaalsContact C-N 3.33Å; L305-V307 PolarHBondContact O-N 3.41Å; L305-I308 PolarHBondContact O-N 3.44Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 3.29Å
306I97.7Very high94.7Very high103 Ų10383.8 Ų83.853%0.52848%0.476SS..Hα-helixtrans-60.5-44.6177.2-68.6165.1000110.5L302 L303 V304 I308 V309 L310L302-I306 WeakPolarHBondContact O-CG1 3.42Å; L302-I306 PolarHBondContact O-N 3.36Å; L303-I306 PolarHBondContact O-N 3.43Å; V304-I306 PolarHBondContact O-N 2.94Å; I306-I308 VanDerWaalsContact C-N 3.35Å; I306-I308 PolarHBondContact O-N 2.88Å; I306-V309 PolarHBondContact O-N 3.46Å; I306-L310 HydrophobicContact CG2-CD1 4.07Å; I306-L310 HydrophobicContact CG2-CG 4.41Å; I306-L310 WeakPolarHBondContact O-CG 3.34Å; I306-L310 PolarHBondContact O-N 3.33Å
307V97.1Very high94.4Very high67 Ų6786.2 Ų86.241%0.40648%0.478SS..Hα-helixtrans-62.1-42.9178.1172.30000111.2L303 V304 L305 V309 L310 I311L303-V307 HydrophobicContact CD2-CG2 3.93Å; L303-V307 WeakPolarHBondContact O-CG2 3.33Å; L303-V307 PolarHBondContact O-N 3.33Å; V304-V307 PolarHBondContact O-N 2.9Å; L305-V307 VanDerWaalsContact C-N 3.33Å; L305-V307 PolarHBondContact O-N 3.41Å; V307-V309 PolarHBondContact O-N 2.88Å; V307-L310 PolarHBondContact O-N 2.99Å; V307-I311 HydrophobicContact CG1-CD1 3.8Å; V307-I311 HydrophobicContact CG1-CG1 4.42Å; V307-I311 VanDerWaalsContact O-CG1 3.28Å; V307-I311 WeakPolarHBondContact O-CG1 3.27Å; V307-I311 PolarHBondContact O-N 3.39Å
308I96.5Very high93.8Very high69 Ų6993.2 Ų93.235%0.35449%0.493SS..Hα-helixtrans-60.3-46.5175.8-68.6166.6000110.6V304 L305 I306 L310 I311 V312V304-I308 HydrophobicContact CG1-CD1 3.87Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 VanDerWaalsContact O-CG1 3.31Å; V304-I308 WeakPolarHBondContact O-CG1 3.45Å; V304-I308 PolarHBondContact O-N 2.87Å; L305-I308 PolarHBondContact O-N 3.44Å; I306-I308 VanDerWaalsContact C-N 3.35Å; I306-I308 PolarHBondContact O-N 2.88Å; I308-L310 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 3.37Å; I308-I311 PolarHBondContact O-N 3.44Å; I308-V312 HydrophobicContact CG2-CG2 4.45Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 2.97Å
309V96.6Very high92.5Very high92 Ų9295.8 Ų95.856%0.55850%0.498SS*.Hα-helixtrans-60.9-43.5178.2171.60000111.3L305 I306 V307 V312 Y313L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 3.29Å; I306-V309 PolarHBondContact O-N 3.46Å; V307-V309 PolarHBondContact O-N 2.88Å; V309-V312 PolarHBondContact O-N 3.5Å; V309-Y313 WeakPolarHBondContact O-CB 3.34Å; V309-Y313 PolarHBondContact O-N 3.25Å
310L95.9Very high90.8Very high95 Ų95104.3 Ų104.350%0.49752%0.517SS..Hα-helixtrans-63.5-42.5176.9-72.1175.2000112.2I306 V307 I308 Y313 L314I306-L310 HydrophobicContact CG2-CD1 4.07Å; I306-L310 HydrophobicContact CG2-CG 4.41Å; I306-L310 WeakPolarHBondContact O-CG 3.34Å; I306-L310 PolarHBondContact O-N 3.33Å; V307-L310 PolarHBondContact O-N 2.99Å; I308-L310 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 3.37Å; L310-Y313 PolarHBondContact O-N 3.4Å; L310-L314 WeakPolarHBondContact O-CB 3.17Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.39Å; L310-L314 PolarHBondContact O-N 3.48Å
311I95Very high89Confident89 Ų89106.1 Ų106.146%0.45653%0.529SS..Hα-helixtrans-61.8-47.3175.9-69.2167.2000110.2V307 I308 Y313 L314 L315V307-I311 HydrophobicContact CG1-CD1 3.8Å; V307-I311 HydrophobicContact CG1-CG1 4.42Å; V307-I311 VanDerWaalsContact O-CG1 3.28Å; V307-I311 WeakPolarHBondContact O-CG1 3.27Å; V307-I311 PolarHBondContact O-N 3.39Å; I308-I311 PolarHBondContact O-N 3.44Å; I311-Y313 VanDerWaalsContact C-N 3.32Å; I311-Y313 PolarHBondContact O-N 3.29Å; I311-L314 PolarHBondContact O-N 3.11Å; I311-L315 HydrophobicContact CG2-CD1 3.88Å; I311-L315 HydrophobicContact CG2-CG 4.33Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 VanDerWaalsContact O-CG 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 2.86Å
312V94.5Very high87.1Confident78 Ų78106.5 Ų106.547%0.47354%0.541SS..Hα-helixtrans-60.6-43.1177.5171.80000110.9I308 V309 L315 G316I308-V312 HydrophobicContact CG2-CG2 4.45Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 2.97Å; V309-V312 PolarHBondContact O-N 3.5Å; V312-L315 PolarHBondContact O-N 2.95Å; V312-G316 PolarHBondContact O-N 3.46Å
313Y94.1Very high85.1Confident136 Ų136104.7 Ų104.753%0.53355%0.546SS..Hα-helixtrans-60.6-48.1176.5174.6-97.5000112.1V309 L310 I311 L315 G316 R317V309-Y313 WeakPolarHBondContact O-CB 3.34Å; V309-Y313 PolarHBondContact O-N 3.25Å; L310-Y313 PolarHBondContact O-N 3.4Å; I311-Y313 VanDerWaalsContact C-N 3.32Å; I311-Y313 PolarHBondContact O-N 3.29Å; Y313-L315 PolarHBondContact O-N 3.15Å; Y313-G316 PolarHBondContact O-N 3.35Å; Y313-R317 WeakPolarHBondContact O-CB 3.46Å; Y313-R317 PolarHBondContact O-N 3.48Å
314L91.9Very high83.2Confident107 Ų107110.2 Ų110.256%0.5656%0.561SS**Hα-helixtrans-64.4-41.1179-70.3174.4000112L310 I311 R317 R318L310-L314 WeakPolarHBondContact O-CB 3.17Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.39Å; L310-L314 PolarHBondContact O-N 3.48Å; I311-L314 PolarHBondContact O-N 3.11Å; L314-R317 PolarHBondContact O-N 3.25Å; L314-R318 WeakPolarHBondContact O-CB 3.28Å; L314-R318 PolarHBondContact O-N 3.3Å
315L87.5Confident81.1Confident83 Ų83116.7 Ų116.744%0.43559%0.587SS.*Hα-helixtrans-65.9-37.5174.6-69.4176.5000112.2I311 V312 Y313 K319I311-L315 HydrophobicContact CG2-CD1 3.88Å; I311-L315 HydrophobicContact CG2-CG 4.33Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 VanDerWaalsContact O-CG 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 2.86Å; V312-L315 PolarHBondContact O-N 2.95Å; Y313-L315 PolarHBondContact O-N 3.15Å; L315-K319 PolarHBondContact O-N 2.9Å
316G84.1Confident79.1Confident37 Ų37117.3 Ų117.338%0.38160%0.6SS.*Hα-helixtrans-65.3-44.8174.400000112.4V312 Y313 K319 R320V312-G316 PolarHBondContact O-N 3.46Å; Y313-G316 PolarHBondContact O-N 3.35Å; G316-K319 PolarHBondContact O-N 3.15Å; G316-R320 PolarHBondContact O-N 3.22Å
317R84.9Confident76.9Confident160 Ų160124.2 Ų124.260%0.60464%0.637SS**Hα-helixtrans-63.3-44.4177.1-171.7175.2178179.2-1.3111.9Y313 L314 K319 R320Y313-R317 WeakPolarHBondContact O-CB 3.46Å; Y313-R317 PolarHBondContact O-N 3.48Å; L314-R317 PolarHBondContact O-N 3.25Å; R317-K319 PolarHBondContact O-N 3.36Å; R317-R320 PolarHBondContact O-N 3.37Å; R317-R320 VanDerWaalsContact O-N 3.15Å
318R78.9Confident75.9Confident199 Ų199127.1 Ų127.175%0.75165%0.648SS**Hα-helixtrans-60.7-30.7179.2-167.2176.1-176.4179.51.9113.1L314 T321L314-R318 WeakPolarHBondContact O-CB 3.28Å; L314-R318 PolarHBondContact O-N 3.3Å; R318-T321 PolarHBondContact O-OG1 3.42Å
319K68Low74.9Confident129 Ų129130.1 Ų130.156%0.56166%0.664SS**Hα-helixtrans-74.2-31.1176.9-76-179-179.6176.30113.9L315 G316 R317 T321 A322L315-K319 PolarHBondContact O-N 2.9Å; G316-K319 PolarHBondContact O-N 3.15Å; R317-K319 PolarHBondContact O-N 3.36Å; K319-T321 VanDerWaalsContact C-N 3.31Å; K319-T321 PolarHBondContact O-N 3.38Å; K319-A322 PolarHBondContact O-N 3.49Å
320R61.5Low73.6Confident220 Ų220132.2 Ų132.283%0.8367%0.669SS**Hα-helixtrans-71.9-24-179.7-67.9-166.7-173.8-176.82.5113.4G316 R317 A322G316-R320 PolarHBondContact O-N 3.22Å; R317-R320 PolarHBondContact O-N 3.37Å; R317-R320 VanDerWaalsContact O-N 3.15Å; R320-A322 VanDerWaalsContact C-N 3.3Å; R320-A322 PolarHBondContact O-N 3.45Å
321T58.4Low72.3Confident120 Ų120134.4 Ų134.474%0.73668%0.68SS**THydrogen-bonded Turntrans-76-8.5177.630.10000115R318 K319R318-T321 PolarHBondContact O-OG1 3.42Å; K319-T321 VanDerWaalsContact C-N 3.31Å; K319-T321 PolarHBondContact O-N 3.38Å
322A56.8Low70.9Confident90 Ų90137.3 Ų137.374%0.74469%0.694SS**THydrogen-bonded Turntrans-97.910.9-177.700000114.3K319 R320K319-A322 PolarHBondContact O-N 3.49Å; R320-A322 VanDerWaalsContact C-N 3.3Å; R320-A322 PolarHBondContact O-N 3.45Å
323G55.5Low69.4Low61 Ų61141.2 Ų141.263%0.62971%0.708SS**  trans-109.63.3-167.700000117.7
324Y57Low67.6Low227 Ų227141.6 Ų141.689%0.8972%0.721SS**  trans-108.577.9173.2-79.1-84.4000110
325Q54.4Low65.7Low188 Ų188144.2 Ų144.288%0.87973%0.733SS**  trans-83.8106.4149.1-104.7-177.4-37.500105.7L327Q325-L327 PolarHBondContact O-N 3.32Å
326S54.9Low63.9Low114 Ų114149.3 Ų149.380%0.79776%0.758SS**  trans-58.7122166.9480000108.3
327L52.3Low62.1Low247 Ų247159.5 Ų159.5100%1.29379%0.792SS**  trans-54.30165.5-89106.1000110.9Q325Q325-L327 PolarHBondContact O-N 3.32Å

Retrieved 327 of 327 residues in 1751.9 ms (Link to these results)