A0A060XV89_ONCMY Loading...

Dynein light chain Tctex-type family member 5

AlphaFold DB , UniProt , Accession A0A060XV89, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dynlt5, Length 177 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
1M50.9Low49.7Very low238 Ų238123 Ų123100%1.17265%0.645SS**  026.10-67-148-78.700112.9
2S55Low49.4Very low76 Ų76124.4 Ų124.453%0.53165%0.653SS.*  trans-102.5-3.8-169.449.60000115.3
3D52.9Low49.1Very low115 Ų115126.2 Ų126.262%0.61566%0.662SS**Hα-helixtrans-95.3-22.2-173.3-72.2-49.1000114.3A5 E7D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 2.84Å; D3-E7 PolarHBondContact O-N 3.22Å
4L46.8Very low48.7Very low123 Ų123131 Ų13164%0.64468%0.675SS**Hα-helixtrans-73.5-25.8178.5-164.368.1000113K8L4-K8 PolarHBondContact O-N 2.8Å
5A49.5Very low48.4Very low72 Ų72134.6 Ų134.660%0.59568%0.683SS**Hα-helixtrans-76.2-34.3178.600000112.3D3 E7 A9D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 2.84Å; A5-E7 VanDerWaalsContact C-N 3.35Å; A5-A9 PolarHBondContact O-N 2.8Å
6K51.7Low48Very low149 Ų149140.4 Ų140.465%0.64869%0.694SS**Hα-helixtrans-69.9-33.3177.9-69179.9180174.70111.9A10K6-A10 PolarHBondContact O-N 3.02Å
7E47.2Very low47Very low117 Ų117136.6 Ų136.655%0.54770%0.699SS.*Hα-helixtrans-74.3-33.7179.4-160.6179.4167.700113.2D3 A5 A10 R11D3-E7 PolarHBondContact O-N 3.22Å; A5-E7 VanDerWaalsContact C-N 3.35Å; E7-A10 PolarHBondContact O-N 2.79Å; E7-R11 PolarHBondContact O-N 2.96Å
8K51.8Low46.5Very low152 Ų152135.7 Ų135.766%0.66171%0.707SS**Hα-helixtrans-68.9-33.2175.2-79.6-173.5174.7-179.30113L4L4-K8 PolarHBondContact O-N 2.8Å
9A47.8Very low46Very low54 Ų54136.1 Ų136.145%0.44672%0.715SS.*Hα-helixtrans-69.5-38.2176.200000112.4A5 R11 L12A5-A9 PolarHBondContact O-N 2.8Å; A9-R11 VanDerWaalsContact C-N 3.32Å; A9-R11 PolarHBondContact O-N 2.98Å; A9-L12 PolarHBondContact O-N 3.38Å
10A47.6Very low45.5Very low60 Ų60135.2 Ų135.250%0.49672%0.721SS.*Hα-helixtrans-67.4-28.7179.600000113.5K6 E7K6-A10 PolarHBondContact O-N 3.02Å; E7-A10 PolarHBondContact O-N 2.79Å
11R46.2Very low45.1Very low197 Ų197134.1 Ų134.174%0.74372%0.724SS**Hα-helixtrans-78.3-25.2178.4-87.6-175.8168.6173.4-1114.3E7 A9E7-R11 PolarHBondContact O-N 2.96Å; A9-R11 VanDerWaalsContact C-N 3.32Å; A9-R11 PolarHBondContact O-N 2.98Å
12L45.5Very low44.3Very low140 Ų140131.2 Ų131.273%0.73371%0.712SS**Hα-helixtrans-80.8-26.3177.1-79.2161.8000112.7A9 K14 K15A9-L12 PolarHBondContact O-N 3.38Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.94Å; L12-K15 PolarHBondContact O-N 3.35Å
13L45.5Very low43.2Very low147 Ų147130.9 Ų130.977%0.7772%0.721SS**G310 helixtrans-76.2-15.3175.6-80.5155.1000113.8K15L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 3.07Å
14K43.4Very low42.2Very low194 Ų194131.4 Ų131.484%0.84373%0.734SS**G310 helixtrans-78-6.9170.7-84.9-173.2174.1-177.20114.1L12L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.94Å
15K44.9Very low41.6Very low185 Ų185134.1 Ų134.180%0.80474%0.743SS**G310 helixtrans-1054.5-174.4-152172.4178.5179.70115.8L12 L13L12-K15 PolarHBondContact O-N 3.35Å; L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 3.07Å
16R42.2Very low40.7Very low228 Ų228138 Ų13886%0.8675%0.754SS**  trans-138.680.8170.1-84.5-176.3158.3165.8-7.5110.4S18R16-S18 PolarHBondContact O-N 3.25Å
17G30.6Very low39.7Very low75 Ų75136.5 Ų136.577%0.77376%0.757SS**  trans-66.1115160.400000108.9V19G17-V19 PolarHBondContact O-N 2.86Å
18S37.9Very low38.9Very low121 Ų121142.8 Ų142.885%0.84678%0.775SS**  trans-69.3119.3163.9-65.20000108.4R16R16-S18 PolarHBondContact O-N 3.25Å
19V36.8Very low37.9Very low142 Ų142140.5 Ų140.586%0.86179%0.785SS**  trans-96.2108.4161.2-76.90000107.7G17G17-V19 PolarHBondContact O-N 2.86Å
20S36.2Very low37.3Very low119 Ų119146 Ų14683%0.83280%0.799SS**  trans-81.1130.4156.7520000108.2
21S37.1Very low36.6Very low112 Ų112152.8 Ų152.878%0.78382%0.82SS**  trans-143.4111.4156.155.50000111.4
22L34.7Very low36Very low177 Ų177149.7 Ų149.793%0.92782%0.824SS**  trans-66.9145.8146.4-82.9152.4000107.9
23G31.6Very low35.4Very low69 Ų69146.9 Ų146.971%0.71183%0.828SS**  trans-68165-156.600000117.6
24S32.2Very low34.7Very low127 Ų127143.9 Ų143.989%0.88883%0.833SS**  trans-169.9145133.7-78.10000108.6
25H34.1Very low34.4Very low180 Ų180144.2 Ų144.283%0.83383%0.834SS**  trans-64.2128-176-139.6-103000110.9
26D29.3Very low33.9Very low153 Ų153143.1 Ų143.182%0.81884%0.835SS**  trans-168.2159.1143.2-113.3-40.1000113.6
27V31Very low34.1Very low118 Ų118141.6 Ų141.672%0.71584%0.835SS**  trans-91.2152.6-147.7-77.50000118.2
28R29.9Very low34.4Very low248 Ų248145 Ų14594%0.93684%0.835SS**  trans78.8119.2141.5-163.9174.1-172.4-178.62.7120.7
29A31Very low34.7Very low105 Ų105145.2 Ų145.287%0.86884%0.837SS**  -173.2146.8121.800000111.4
30K36.4Very low34.7Very low170 Ų170145.7 Ų145.774%0.73983%0.833SS**  trans-107.3128.7-163.8-177.7-178.6-173.3169.20108.9
31E31.5Very low35.1Very low202 Ų202145.3 Ų145.394%0.94483%0.831SS**  trans-142.8145.8158.5-77.6-160.1143.200112
32T35Very low36.1Very low132 Ų132146 Ų14681%0.8183%0.83SS**  trans-103.2142.6-154.944.40000112.9
33G31Very low36.5Very low81 Ų81142.4 Ų142.484%0.83582%0.815SS**  trans179.2104.5163.400000116.2
34G32Very low37.5Very low83 Ų83144.2 Ų144.286%0.85682%0.817SS**  trans77.4104.9138.300000120.8
35K36Very low37.9Very low202 Ų202148.2 Ų148.288%0.87881%0.814SS**  trans-39.3150.9166.2-60.1169.3179.1178.40114.9
36I34.5Very low38.8Very low162 Ų162147.5 Ų147.583%0.83182%0.815SS**  -144.1128.777.9-71.9150000110.8
37K46.3Very low39.8Very low196 Ų196147.3 Ų147.385%0.85281%0.814SS**  trans-108140.5164.4-73.4-179.5175.5-177.30107
38D37.4Very low40.5Very low146 Ų146150.1 Ų150.178%0.78182%0.819SS**  trans-142.9106.3147.2-82.1-39000109.7
39S43.8Very low41.5Very low125 Ų125144.5 Ų144.587%0.87481%0.814SS**  trans-172.696150.9-790000106.9
40I38.2Very low42.2Very low152 Ų152142.6 Ų142.678%0.77981%0.805SS**  trans-86.6122.2176.6-73.6168.9000108.1
41S44.9Very low43Very low112 Ų112143.2 Ų143.278%0.78381%0.81SS**  trans-109108157.259.10000108.1V43S41-V43 PolarHBondContact O-N 2.95Å
42T56.7Low44.2Very low125 Ų125141.6 Ų141.677%0.76780%0.802SS**  trans-68.4119178.1-590000110.4
43V44.1Very low44.9Very low103 Ų103142 Ų14262%0.62480%0.799SS**  trans-129.7123.2159.5176.80000107.1S41 Y45S41-V43 PolarHBondContact O-N 2.95Å; V43-Y45 HydrophobicContact CB-CE2 4.36Å; V43-Y45 HydrophobicContact CG1-CD2 4.09Å; V43-Y45 HydrophobicContact CG1-CE2 3.47Å; V43-Y45 VanDerWaalsContact CG1-CE2 3.47Å
44S52.8Low46.3Very low106 Ų106143.5 Ų143.574%0.74179%0.789SS**  trans-72.3131179.749.60000111.3
45Y39.8Very low47.8Very low211 Ų211146 Ų14683%0.82778%0.782SS**  trans-130.2136.7163.4-77.4-81.4000111V43V43-Y45 HydrophobicContact CB-CE2 4.36Å; V43-Y45 HydrophobicContact CG1-CD2 4.09Å; V43-Y45 HydrophobicContact CG1-CE2 3.47Å; V43-Y45 VanDerWaalsContact CG1-CE2 3.47Å
46I52.3Low49.2Very low165 Ų165141.5 Ų141.585%0.84677%0.774SS**  trans-58.5134.8164.1-76.7157.4000108.3
47D50.2Low50.9Low150 Ų150145 Ų14580%0.80278%0.777SS**  trans-78.5115-175.1-164.230.2000110.4
48E45.9Very low52.2Low177 Ų177141.1 Ų141.183%0.82777%0.771SS**  trans-123.8124.7161.3-92.4-147.5115.900109G50E48-G50 PolarHBondContact O-N 3.32Å
49P51.5Low53.9Low129 Ų129138.8 Ų138.884%0.83877%0.772SS**  trans-86.3100.3-171.232.6-31.2000110.7
50G45.4Very low55.5Low65 Ų65138.5 Ų138.567%0.6777%0.765SS**  trans-160.8106176.800000114.7E48E48-G50 PolarHBondContact O-N 3.32Å
51H53.5Low57.1Low183 Ų183140.2 Ų140.285%0.84777%0.77SS**  trans55.6102.7159.4-93.961.1000118.1D53H51-D53 PolarHBondContact O-N 3.28Å
52H56Low58.3Low169 Ų169142.6 Ų142.678%0.78277%0.77SS**  trans-7388.7167.3-147.5-84.8000109.2D54H52-D54 IonicContact CE1-OD1 3.92Å; H52-D54 PolarHBondContact CE1-OD1 2.89Å; H52-D54 IonicContact ND1-OD1 2.88Å; H52-D54 PolarHBondContact ND1-OD1 2.88Å; H52-D54 PolarHBondContact O-N 2.77Å
53D50.5Low58.9Low139 Ų139144.8 Ų144.874%0.74377%0.772SS**  trans-68.997166.2-90.9-28.7000108.7H51 N55H51-D53 PolarHBondContact O-N 3.28Å; D53-N55 PolarHBondContact O-N 2.78Å
54D61.3Low60.1Low114 Ų114144.3 Ų144.361%0.6177%0.766SS**  trans-69.745.6169-81.2-15.1000111.1H52 P56H52-D54 IonicContact CE1-OD1 3.92Å; H52-D54 PolarHBondContact CE1-OD1 2.89Å; H52-D54 IonicContact ND1-OD1 2.88Å; H52-D54 PolarHBondContact ND1-OD1 2.88Å; H52-D54 PolarHBondContact O-N 2.77Å; D54-P56 WeakPolarHBondContact O-CD 3.39Å
55N63Low61.2Low134 Ų134144.1 Ų144.172%0.71776%0.76SS**PPolyproline II helixtrans-84.8116.7176.9-14424.2000108.7D53 R57D53-N55 PolarHBondContact O-N 2.78Å; N55-R57 PolarHBondContact O-N 2.87Å
56P66.2Low62.9Low108 Ų108140.9 Ų140.970%0.70175%0.751SS**PPolyproline II helixtrans-60.8117.717623.5-30.3000108.1D54 P58D54-P56 WeakPolarHBondContact O-CD 3.39Å; P56-P58 VanDerWaalsContact O-N 3.15Å
57R69.3Low64.2Low237 Ų237135.5 Ų135.589%0.89472%0.722SS**PPolyproline II helixtrans-53124.6173.5-69.9-177.5-179.1-179.1-0.3107.3N55 A59N55-R57 PolarHBondContact O-N 2.87Å; R57-A59 PolarHBondContact O-N 3.19Å
58P72.6Confident65.6Low114 Ų114135.2 Ų135.274%0.7472%0.72SS**PPolyproline II helixtrans-54.9134.7177.719.3-28.8000108.4P56 V60P56-P58 VanDerWaalsContact O-N 3.15Å; P58-V60 PolarHBondContact O-N 2.81Å
59A74.4Confident67.3Low97 Ų97129.1 Ų129.180%0.80270%0.699SS**  trans-54.5114.5177.300000107.6R57 Q61R57-A59 PolarHBondContact O-N 3.19Å; A59-Q61 PolarHBondContact O-N 2.97Å
60V77.1Confident69Low118 Ų118123.7 Ų123.772%0.71566%0.664SS**  trans-62108178.6178.60000106.4P58 M62P58-V60 PolarHBondContact O-N 2.81Å; V60-M62 VanDerWaalsContact C-N 3.35Å; V60-M62 HydrophobicContact CG1-CG 4.44Å; V60-M62 HydrophobicContact CG1-SD 3.96Å; V60-M62 PolarHBondContact O-N 2.91Å
61Q70.9Confident70.9Confident189 Ų189127.7 Ų127.788%0.88367%0.67SS**  trans-68.1100.5167.8-105.5178.5-8.800106.4A59A59-Q61 PolarHBondContact O-N 2.97Å
62M70.4Confident72.7Confident162 Ų162125.9 Ų125.980%0.79866%0.655SS**PPolyproline II helixtrans-71.8134.8171.7-62.7-74.2-82.300107.8V60V60-M62 VanDerWaalsContact C-N 3.35Å; V60-M62 HydrophobicContact CG1-CG 4.44Å; V60-M62 HydrophobicContact CG1-SD 3.96Å; V60-M62 PolarHBondContact O-N 2.91Å
63E69.8Low74.4Confident171 Ų171124 Ų12480%0.79964%0.641SS**PPolyproline II helixtrans-58.8155.5170.8-70.3-62.4154.400110.8T65E63-T65 PolarHBondContact O-N 3.28Å
64N68.4Low76.5Confident93 Ų93117.9 Ų117.950%0.49761%0.608SS.*PPolyproline II helixtrans-58.6126.6174.9-162.1-13.6000109F66 R123 E177N64-F66 VanDerWaalsContact C-N 3.33Å; N64-F66 PolarHBondContact O-N 3.47Å; N64-R123 PolarHBondContact OD1-NH2 2.86Å; N64-R123 VanDerWaalsContact OD1-NH2 3.1Å; N64-E177 PolarHBondContact ND2-O 3.05Å; N64-E177 PolarHBondContact ND2-OXT 3.01Å; N64-E177 PolarHBondContact OD1-OXT 3.04Å
65T76.3Confident78.1Confident102 Ų102114.5 Ų114.563%0.62659%0.592SS**  trans-69.997.5174.5-54.30000106.8E63 Q67 R123E63-T65 PolarHBondContact O-N 3.28Å; T65-Q67 VanDerWaalsContact O-CG 3.3Å; T65-Q67 WeakPolarHBondContact O-CG 3.29Å; T65-Q67 PolarHBondContact O-N 3.16Å; T65-R123 PolarHBondContact O-NH2 2.8Å
66F76.6Confident79.8Confident142 Ų142110.5 Ų110.562%0.62357%0.573SS**  trans-52.8124.1-180-173.1-101000109.9N64 L68 E177N64-F66 VanDerWaalsContact C-N 3.33Å; N64-F66 PolarHBondContact O-N 3.47Å; F66-L68 HydrophobicContact CD1-CD2 4.47Å; F66-L68 HydrophobicContact CE1-CD2 3.38Å; F66-L68 HydrophobicContact CE1-CG 3.81Å; F66-L68 HydrophobicContact CZ-CD2 3.54Å; F66-L68 HydrophobicContact CZ-CG 4.42Å; F66-E177 WeakPolarHBondContact CD2-OE1 3.01Å; F66-E177 WeakPolarHBondContact CE2-OE1 3.38Å; F66-E177 WeakPolarHBondContact CE2-OE2 3.4Å; F66-E177 WeakPolarHBondContact CG-OE1 3.06Å
67Q79Confident81.2Confident53 Ų53112 Ų11225%0.24857%0.574CS.*  trans-139.3122.2175-30.6167.4-1.100109.3T65 A69 R123 Y175 E177T65-Q67 VanDerWaalsContact O-CG 3.3Å; T65-Q67 WeakPolarHBondContact O-CG 3.29Å; T65-Q67 PolarHBondContact O-N 3.16Å; Q67-A69 PolarHBondContact O-N 3.36Å; Q67-R123 PolarHBondContact O-NH1 2.67Å; Q67-R123 VanDerWaalsContact O-NH1 3.11Å; Q67-Y175 PolarHBondContact O-OH 3.3Å; Q67-E177 PolarHBondContact N-OE1 3.49Å; Q67-E177 VanDerWaalsContact N-OE1 3.17Å
68L79.2Confident82.6Confident144 Ų144103.9 Ų103.975%0.75455%0.551SS**SBendtrans-70.8-14.2-178.6-64.9172.7000113.7F66F66-L68 HydrophobicContact CD1-CD2 4.47Å; F66-L68 HydrophobicContact CE1-CD2 3.38Å; F66-L68 HydrophobicContact CE1-CG 3.81Å; F66-L68 HydrophobicContact CZ-CD2 3.54Å; F66-L68 HydrophobicContact CZ-CG 4.42Å
69A82.4Confident83.8Confident48 Ų4898.5 Ų98.540%0.39752%0.516SS..SBendtrans-153.4151.5-178.500000112Q67 L71 Y175Q67-A69 PolarHBondContact O-N 3.36Å; A69-L71 PolarHBondContact O-N 3.38Å; A69-Y175 VanDerWaalsContact C-OH 3.3Å; A69-Y175 PolarHBondContact O-OH 2.91Å
70P85.9Confident84.9Confident16 Ų1696.1 Ų96.110%0.10449%0.49CS..  trans-66.5132.1176.425.9-33.4000111.4R72 Y124 N152 Y175P70-R72 PolarHBondContact O-N 2.98Å; P70-Y124 HydrophobicContact CB-CE2 3.96Å; P70-N152 WeakPolarHBondContact CD-OD1 3.36Å; P70-N152 HydrophobicContact CG-CB 4.43Å; P70-Y175 HydrophobicContact CB-CD2 3.8Å; P70-Y175 HydrophobicContact CB-CE2 3.6Å; P70-Y175 HydrophobicContact CG-CD2 4.23Å; P70-Y175 HydrophobicContact CG-CE2 4.26Å
71L87.1Confident85.9Confident149 Ų14995.4 Ų95.478%0.7848%0.482SS*.SBendtrans-62.6-34171.1-67.2171.7000112.4A69A69-L71 PolarHBondContact O-N 3.38Å
72R89.6Confident87.2Confident145 Ų14587.5 Ų87.555%0.54745%0.446SS..SBendtrans-131.5123.8178-177.1-178.8-71169.8-3108.9P70P70-R72 PolarHBondContact O-N 2.98Å
73R91.9Very high88.6Confident128 Ų12879.8 Ų79.848%0.48341%0.408SS..  trans-69.4152.3175.1-65.2-73.3-178.9-177.3-11.8110.8P75 S151 N152R73-P75 WeakPolarHBondContact O-CD 3.49Å; R73-S151 VanDerWaalsContact NH1-C 3.29Å; R73-S151 PolarHBondContact NH1-O 3.31Å; R73-N152 PolarHBondContact NH1-OD1 2.82Å; R73-N152 PolarHBondContact NH2-OD1 3.38Å
74F95.1Very high89.9Confident11 Ų1176.6 Ų76.65%0.04839%0.391CS..  trans-64.8123.6173.4-175.2-101.6000111.2V76 V79 V116 Y124 I126 T154 V171 A173F74-V76 HydrophobicContact CD1-CG2 3.94Å; F74-V76 PolarHBondContact O-N 2.68Å; F74-V79 HydrophobicContact CE1-CB 4.12Å; F74-V79 HydrophobicContact CE1-CG1 4.25Å; F74-V79 HydrophobicContact CE1-CG2 3.9Å; F74-V79 HydrophobicContact CE2-CG2 4.04Å; F74-V79 HydrophobicContact CZ-CB 4.05Å; F74-V79 HydrophobicContact CZ-CG1 3.95Å; F74-V79 HydrophobicContact CZ-CG2 3.53Å; F74-V116 HydrophobicContact CE2-CG1 3.78Å; F74-V116 HydrophobicContact CZ-CG1 4.14Å; F74-Y124 HydrophobicContact CB-CE1 4.31Å; F74-I126 HydrophobicContact CD2-CD1 4.24Å; F74-I126 HydrophobicContact CE2-CD1 3.75Å; F74-T154 HydrophobicContact CB-CG2 3.68Å; F74-T154 HydrophobicContact CD1-CG2 3.42Å; F74-T154 VanDerWaalsContact CD1-CG2 3.42Å; F74-T154 HydrophobicContact CE1-CG2 4.32Å; F74-T154 HydrophobicContact CG-CG2 3.87Å; F74-V171 HydrophobicContact CZ-CG1 3.91Å; F74-A173 HydrophobicContact CB-CB 4.05Å; F74-A173 HydrophobicContact CD1-CB 3.81Å; F74-A173 HydrophobicContact CD2-CB 3.35Å; F74-A173 HydrophobicContact CE1-CB 3.97Å; F74-A173 HydrophobicContact CE2-CB 3.55Å; F74-A173 HydrophobicContact CG-CB 3.45Å; F74-A173 VanDerWaalsContact CG-CB 3.45Å; F74-A173 HydrophobicContact CZ-CB 3.81Å
75P95.9Very high91.4Very high43 Ų4376.1 Ų76.128%0.27939%0.388SS..  trans-81.780-174.633.6-35.8000111.3R73 L77 T78 V79 L119 V121R73-P75 WeakPolarHBondContact O-CD 3.49Å; P75-L77 VanDerWaalsContact C-N 3.29Å; P75-L77 PolarHBondContact O-N 3.15Å; P75-T78 PolarHBondContact O-N 3.41Å; P75-V79 HydrophobicContact CG-CG2 4.46Å; P75-V79 WeakPolarHBondContact O-CG2 3.47Å; P75-V79 PolarHBondContact O-N 3Å; P75-L119 HydrophobicContact CG-CD1 3.76Å; P75-V121 HydrophobicContact CG-CG2 4.25Å
76V96.8Very high92.4Very high51 Ų5171.3 Ų71.331%0.30936%0.359SS..Hα-helixtrans-52.5-42.7-174.1177.80000113.2F74 V79 N80 T154 S156F74-V76 HydrophobicContact CD1-CG2 3.94Å; F74-V76 PolarHBondContact O-N 2.68Å; V76-V79 PolarHBondContact O-N 2.7Å; V76-N80 PolarHBondContact O-N 3.2Å; V76-T154 HydrophobicContact CG2-CG2 3.89Å; V76-S156 PolarHBondContact O-OG 3.19Å
77L97.1Very high93.5Very high139 Ų13964.5 Ų64.573%0.72833%0.329SS*.Hα-helixtrans-65.9-51.5-178.1-63179.2000111.8P75 V79 N80 D81P75-L77 VanDerWaalsContact C-N 3.29Å; P75-L77 PolarHBondContact O-N 3.15Å; L77-V79 PolarHBondContact O-N 2.97Å; L77-N80 WeakPolarHBondContact O-CA 3.26Å; L77-N80 VanDerWaalsContact O-CB 3.27Å; L77-N80 WeakPolarHBondContact O-CB 3.18Å; L77-N80 PolarHBondContact O-N 3.42Å; L77-D81 PolarHBondContact O-N 2.89Å
78T97.7Very high94.3Very high67 Ų6764.6 Ų64.641%0.41133%0.331SS..Hα-helixtrans-58-38.9176.3-51.60000111.5P75 D81 I82 L119P75-T78 PolarHBondContact O-N 3.41Å; T78-D81 PolarHBondContact O-N 3.27Å; T78-I82 WeakPolarHBondContact O-CG1 3.48Å; T78-I82 PolarHBondContact O-N 2.96Å; T78-L119 HydrophobicContact CG2-CD1 4.24Å; T78-L119 HydrophobicContact CG2-CD2 4.07Å
79V98.1Very high95.2Very high0 Ų061.3 Ų61.30%032%0.32CS..Hα-helixtrans-67.5-38.9175.6174.80000110.9F74 P75 V76 L77 D81 I82 L83 V116 L119 V171F74-V79 HydrophobicContact CE1-CB 4.12Å; F74-V79 HydrophobicContact CE1-CG1 4.25Å; F74-V79 HydrophobicContact CE1-CG2 3.9Å; F74-V79 HydrophobicContact CE2-CG2 4.04Å; F74-V79 HydrophobicContact CZ-CB 4.05Å; F74-V79 HydrophobicContact CZ-CG1 3.95Å; F74-V79 HydrophobicContact CZ-CG2 3.53Å; P75-V79 HydrophobicContact CG-CG2 4.46Å; P75-V79 WeakPolarHBondContact O-CG2 3.47Å; P75-V79 PolarHBondContact O-N 3Å; V76-V79 PolarHBondContact O-N 2.7Å; L77-V79 PolarHBondContact O-N 2.97Å; V79-D81 VanDerWaalsContact C-N 3.3Å; V79-D81 PolarHBondContact O-N 2.91Å; V79-I82 WeakPolarHBondContact O-CB 3.24Å; V79-I82 PolarHBondContact O-N 3.24Å; V79-I82 VanDerWaalsContact O-N 3.16Å; V79-L83 HydrophobicContact CG1-CG 4.45Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 2.84Å; V79-V116 HydrophobicContact CG1-CG2 3.87Å; V79-V116 HydrophobicContact CG2-CG1 4.29Å; V79-V116 HydrophobicContact CG2-CG2 4.14Å; V79-L119 HydrophobicContact CG2-CD1 3.68Å; V79-V171 HydrophobicContact CG1-CB 4.18Å; V79-V171 HydrophobicContact CG1-CG1 4.27Å; V79-V171 HydrophobicContact CG1-CG2 4.32Å
80N98.3Very high95.9Very high48 Ų4862.9 Ų62.926%0.25732%0.316SS..Hα-helixtrans-58.8-42.8174.7-157.4-94.1000111.9V76 L77 I82 L83 K84 S156 S157V76-N80 PolarHBondContact O-N 3.2Å; L77-N80 WeakPolarHBondContact O-CA 3.26Å; L77-N80 VanDerWaalsContact O-CB 3.27Å; L77-N80 WeakPolarHBondContact O-CB 3.18Å; L77-N80 PolarHBondContact O-N 3.42Å; N80-I82 VanDerWaalsContact C-N 3.34Å; N80-I82 PolarHBondContact O-N 2.94Å; N80-L83 WeakPolarHBondContact O-CB 3.21Å; N80-L83 PolarHBondContact O-N 3.23Å; N80-L83 VanDerWaalsContact O-N 3.15Å; N80-K84 PolarHBondContact O-N 3.15Å; N80-S156 WeakPolarHBondContact CA-OG 3.36Å; N80-S156 PolarHBondContact N-OG 3.34Å; N80-S156 PolarHBondContact ND2-OG 3.39Å; N80-S157 PolarHBondContact ND2-O 3.48Å
81D98.4Very high96.4Very high103 Ų10362.2 Ų62.255%0.55131%0.312SS*.Hα-helixtrans-62.4-40.8175.8-63.3-33.6000111.6L77 T78 V79 L83 K84 D85L77-D81 PolarHBondContact O-N 2.89Å; T78-D81 PolarHBondContact O-N 3.27Å; V79-D81 VanDerWaalsContact C-N 3.3Å; V79-D81 PolarHBondContact O-N 2.91Å; D81-L83 PolarHBondContact O-N 3.41Å; D81-K84 PolarHBondContact O-N 2.94Å; D81-D85 WeakPolarHBondContact O-CB 3.35Å; D81-D85 PolarHBondContact O-N 3.5Å
82I98.4Very high96.9Very high23 Ų2360.5 Ų60.512%0.11830%0.3CS..Hα-helixtrans-60.3-44.4172.6-68.4166000110.9T78 V79 N80 K84 V86 R115 L119T78-I82 WeakPolarHBondContact O-CG1 3.48Å; T78-I82 PolarHBondContact O-N 2.96Å; V79-I82 WeakPolarHBondContact O-CB 3.24Å; V79-I82 PolarHBondContact O-N 3.24Å; V79-I82 VanDerWaalsContact O-N 3.16Å; N80-I82 VanDerWaalsContact C-N 3.34Å; N80-I82 PolarHBondContact O-N 2.94Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.42Å; I82-V86 HydrophobicContact CG2-CG2 4.23Å; I82-V86 WeakPolarHBondContact O-CB 3.2Å; I82-V86 VanDerWaalsContact O-CG2 3.25Å; I82-V86 WeakPolarHBondContact O-CG2 3.43Å; I82-V86 PolarHBondContact O-N 2.92Å; I82-R115 HydrophobicContact CD1-CB 4.34Å; I82-R115 HydrophobicContact CG2-CB 3.79Å; I82-L119 HydrophobicContact CD1-CD1 3.98Å; I82-L119 HydrophobicContact CD1-CD2 4.33Å; I82-L119 HydrophobicContact CD1-CG 4.33Å
83L98.5Very high97.1Very high0 Ų062.5 Ų62.50%032%0.315CS..Hα-helixtrans-61.2-45.9178.6-59.6-175.6000111.1V79 N80 D81 L87 I112 H158 A169 V171V79-L83 HydrophobicContact CG1-CG 4.45Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 2.84Å; N80-L83 WeakPolarHBondContact O-CB 3.21Å; N80-L83 PolarHBondContact O-N 3.23Å; N80-L83 VanDerWaalsContact O-N 3.15Å; D81-L83 PolarHBondContact O-N 3.41Å; L83-L87 WeakPolarHBondContact O-CB 3.28Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 2.83Å; L83-I112 HydrophobicContact CD2-CB 4.45Å; L83-I112 HydrophobicContact CD2-CD1 3.78Å; L83-I112 HydrophobicContact CD2-CG1 4.11Å; L83-I112 HydrophobicContact CD2-CG2 3.48Å; L83-I112 VanDerWaalsContact CD2-CG2 3.48Å; L83-H158 HydrophobicContact CB-CB 3.63Å; L83-H158 HydrophobicContact CD1-CB 4Å; L83-H158 HydrophobicContact CG-CB 4.46Å; L83-A169 HydrophobicContact CB-CB 4.44Å; L83-A169 HydrophobicContact CD1-CB 4.3Å; L83-A169 HydrophobicContact CD2-CB 4.11Å; L83-A169 HydrophobicContact CG-CB 4.49Å; L83-V171 HydrophobicContact CD1-CG2 4.39Å; L83-V171 HydrophobicContact CD2-CG2 3.58Å; L83-V171 HydrophobicContact CG-CG2 4.5Å
84K98.4Very high97.3Very high104 Ų10460.1 Ų60.145%0.45231%0.31SS..Hα-helixtrans-59.9-53.7177.9-176.7-179176.9-169.80111.2N80 D81 I82 V86 L87 D88N80-K84 PolarHBondContact O-N 3.15Å; D81-K84 PolarHBondContact O-N 2.94Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.42Å; K84-V86 PolarHBondContact O-N 3.15Å; K84-L87 PolarHBondContact O-N 2.72Å; K84-D88 WeakPolarHBondContact CG-OD2 3.45Å; K84-D88 WeakPolarHBondContact O-CB 3.37Å; K84-D88 PolarHBondContact O-N 3.39Å
85D98.4Very high97.3Very high83 Ų8367 Ų6744%0.44434%0.34SS..Hα-helixtrans-60.2-42.7-178.3179.958.2000112.4D81 S89 R115D81-D85 WeakPolarHBondContact O-CB 3.35Å; D81-D85 PolarHBondContact O-N 3.5Å; D85-S89 VanDerWaalsContact O-CB 3.26Å; D85-S89 WeakPolarHBondContact O-CB 3.36Å; D85-S89 PolarHBondContact O-N 2.98Å; D85-S89 PolarHBondContact O-OG 2.72Å; D85-R115 IonicContact OD2-CZ 3.72Å; D85-R115 IonicContact OD2-NH1 2.6Å; D85-R115 PolarHBondContact OD2-NH1 2.83Å; D85-R115 IonicContact OD2-NH2 2.73Å
86V98.3Very high97.4Very high0 Ų068.5 Ų68.50%034%0.34CS..Hα-helixtrans-69.1-41.5178.2178.80000111.3I82 K84 S89 Y90 I108 V111 I112I82-V86 HydrophobicContact CG2-CG2 4.23Å; I82-V86 WeakPolarHBondContact O-CB 3.2Å; I82-V86 VanDerWaalsContact O-CG2 3.25Å; I82-V86 WeakPolarHBondContact O-CG2 3.43Å; I82-V86 PolarHBondContact O-N 2.92Å; K84-V86 PolarHBondContact O-N 3.15Å; V86-S89 WeakPolarHBondContact CA-OG 3.27Å; V86-S89 PolarHBondContact O-OG 3.02Å; V86-Y90 HydrophobicContact CG1-CD2 3.83Å; V86-Y90 HydrophobicContact CG1-CE2 4.04Å; V86-Y90 WeakPolarHBondContact O-CB 3.39Å; V86-Y90 VanDerWaalsContact O-CD2 3.25Å; V86-Y90 WeakPolarHBondContact O-CD2 3.43Å; V86-Y90 PolarHBondContact O-N 2.9Å; V86-I108 HydrophobicContact CG1-CG1 4.48Å; V86-I108 HydrophobicContact CG1-CG2 4Å; V86-V111 HydrophobicContact CG1-CB 4.5Å; V86-V111 HydrophobicContact CG1-CG1 4.03Å; V86-V111 HydrophobicContact CG2-CG1 3.99Å; V86-I112 HydrophobicContact CB-CD1 4.36Å; V86-I112 HydrophobicContact CB-CG1 3.95Å; V86-I112 HydrophobicContact CG1-CD1 4.21Å; V86-I112 HydrophobicContact CG1-CG1 3.88Å; V86-I112 HydrophobicContact CG2-CG1 4.07Å
87L98.1Very high97.4Very high0 Ų070.5 Ų70.50%035%0.346CS..Hα-helixtrans-67.5-44.9178.8-70.8174.8000111.5L83 K84 L91 I108 F160 A167 A169L83-L87 WeakPolarHBondContact O-CB 3.28Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 2.83Å; K84-L87 PolarHBondContact O-N 2.72Å; L87-L91 HydrophobicContact CD2-CD1 3.83Å; L87-L91 VanDerWaalsContact O-CB 3.24Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 PolarHBondContact O-N 3.34Å; L87-I108 HydrophobicContact CD2-CG2 4.17Å; L87-F160 HydrophobicContact CB-CB 3.93Å; L87-F160 HydrophobicContact CB-CD2 4.43Å; L87-F160 HydrophobicContact CB-CG 4.2Å; L87-F160 HydrophobicContact CD1-CB 3.96Å; L87-F160 HydrophobicContact CG-CB 4.47Å; L87-A167 HydrophobicContact CD2-CB 4.02Å; L87-A169 HydrophobicContact CD1-CB 3.73Å; L87-A169 HydrophobicContact CD2-CB 4.44Å; L87-A169 HydrophobicContact CG-CB 4.34Å
88D97.8Very high97.3Very high55 Ų5566.7 Ų66.729%0.29434%0.335SS..Hα-helixtrans-61.4-48.4177.5-71.7-17.2000110.7K84 Y90 Q92 F160K84-D88 WeakPolarHBondContact CG-OD2 3.45Å; K84-D88 WeakPolarHBondContact O-CB 3.37Å; K84-D88 PolarHBondContact O-N 3.39Å; D88-Y90 PolarHBondContact O-N 2.94Å; D88-Q92 WeakPolarHBondContact O-CB 3.31Å; D88-Q92 PolarHBondContact O-N 3.05Å; D88-Q92 VanDerWaalsContact O-N 3.07Å; D88-F160 WeakPolarHBondContact OD1-CD2 3.26Å; D88-F160 VanDerWaalsContact OD1-CE2 3.29Å; D88-F160 WeakPolarHBondContact OD1-CE2 3.22Å
89S97.7Very high97.3Very high74 Ų7466.9 Ų66.952%0.51733%0.331SS..Hα-helixtrans-64.2-34.7-177.553.70000114.4D85 V86D85-S89 VanDerWaalsContact O-CB 3.26Å; D85-S89 WeakPolarHBondContact O-CB 3.36Å; D85-S89 PolarHBondContact O-N 2.98Å; D85-S89 PolarHBondContact O-OG 2.72Å; V86-S89 WeakPolarHBondContact CA-OG 3.27Å; V86-S89 PolarHBondContact O-OG 3.02Å
90Y96.5Very high97.1Very high82 Ų8269.6 Ų69.632%0.32235%0.345SS..Hα-helixtrans-91.5-25.8-178.2-80.5-95.1000114.1V86 D88 E94 M104 T107 I108 V111V86-Y90 HydrophobicContact CG1-CD2 3.83Å; V86-Y90 HydrophobicContact CG1-CE2 4.04Å; V86-Y90 WeakPolarHBondContact O-CB 3.39Å; V86-Y90 VanDerWaalsContact O-CD2 3.25Å; V86-Y90 WeakPolarHBondContact O-CD2 3.43Å; V86-Y90 PolarHBondContact O-N 2.9Å; D88-Y90 PolarHBondContact O-N 2.94Å; Y90-E94 WeakPolarHBondContact O-CG 3.46Å; Y90-M104 HydrophobicContact CD1-SD 3.74Å; Y90-T107 HydrophobicContact CE1-CG2 4.03Å; Y90-I108 HydrophobicContact CD1-CG1 4.27Å; Y90-I108 HydrophobicContact CD2-CG1 4.42Å; Y90-I108 HydrophobicContact CG-CD1 4.37Å; Y90-I108 HydrophobicContact CG-CG1 3.99Å; Y90-V111 HydrophobicContact CE2-CG1 4.41Å
91L97.1Very high97.1Very high2 Ų267.8 Ų67.81%0.0134%0.336CS..Hα-helixtrans-120.6-10.5-167-56178.1000114.4L87 E93 E94 M104 I108 I132 F160 N162 L165 A167L87-L91 HydrophobicContact CD2-CD1 3.83Å; L87-L91 VanDerWaalsContact O-CB 3.24Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 PolarHBondContact O-N 3.34Å; L91-E93 VanDerWaalsContact C-N 3.32Å; L91-E93 PolarHBondContact O-N 3.41Å; L91-E94 PolarHBondContact O-N 2.79Å; L91-M104 HydrophobicContact CD2-CG 3.95Å; L91-I108 HydrophobicContact CD1-CD1 4.07Å; L91-I108 HydrophobicContact CD2-CD1 3.92Å; L91-I108 HydrophobicContact CG-CD1 3.97Å; L91-I132 HydrophobicContact CD1-CD1 4.26Å; L91-I132 HydrophobicContact CD2-CD1 4.16Å; L91-F160 HydrophobicContact CB-CD1 3.93Å; L91-F160 HydrophobicContact CB-CE1 3.48Å; L91-F160 VanDerWaalsContact CB-CE1 3.48Å; L91-F160 HydrophobicContact CB-CZ 4.01Å; L91-F160 HydrophobicContact CD1-CD1 4.06Å; L91-F160 HydrophobicContact CD1-CE1 4.43Å; L91-N162 PolarHBondContact O-ND2 3.36Å; L91-L165 HydrophobicContact CB-CD1 4.3Å; L91-L165 HydrophobicContact CD1-CD1 4.35Å; L91-A167 HydrophobicContact CD1-CB 3.42Å; L91-A167 VanDerWaalsContact CD1-CB 3.42Å
92Q96.6Very high97Very high112 Ų11269.5 Ų69.552%0.52334%0.335SS..THydrogen-bonded Turntrans-56.5-43.1-175.2-174.867-0.800113.7D88 F160D88-Q92 WeakPolarHBondContact O-CB 3.31Å; D88-Q92 PolarHBondContact O-N 3.05Å; D88-Q92 VanDerWaalsContact O-N 3.07Å; Q92-F160 VanDerWaalsContact OE1-CE2 3.25Å
93E95Very high96.9Very high188 Ų18873.2 Ų73.288%0.87935%0.352SS*.THydrogen-bonded Turntrans-103.61-176.3-60.6-173.7179.300113.4L91L91-E93 VanDerWaalsContact C-N 3.32Å; L91-E93 PolarHBondContact O-N 3.41Å
94E94.9Very high96.8Very high78 Ų7874.5 Ų74.536%0.36436%0.358SS..PPolyproline II helixtrans-86.2143.1-175.5-70.5-62.216500113Y90 L91 M104 N162Y90-E94 WeakPolarHBondContact O-CG 3.46Å; L91-E94 PolarHBondContact O-N 2.79Å; E94-M104 HydrophobicContact CG-CE 4.41Å; E94-N162 PolarHBondContact O-ND2 3.1Å
95K96.4Very high96.8Very high156 Ų15671.1 Ų71.168%0.67835%0.346SS*.PPolyproline II helixtrans-98.2151.8171.7-69.9-175-180178.50110.5E97K95-E97 PolarHBondContact O-N 3.25Å
96Y96.9Very high96.7Very high74 Ų7474 Ų7429%0.2936%0.355SS..PPolyproline II helixtrans-65.3120.1178-172.3-97000110.8C101 Q134 S164 L165Y96-C101 HydrophobicContact CE2-CB 4.27Å; Y96-Q134 HydrophobicContact CD1-CB 3.61Å; Y96-Q134 HydrophobicContact CD1-CG 3.76Å; Y96-Q134 HydrophobicContact CD2-CB 3.98Å; Y96-Q134 HydrophobicContact CE1-CB 3.72Å; Y96-Q134 HydrophobicContact CE1-CG 4.29Å; Y96-Q134 HydrophobicContact CE2-CB 4.09Å; Y96-Q134 VanDerWaalsContact CE2-N 3.3Å; Y96-Q134 HydrophobicContact CG-CB 3.72Å; Y96-Q134 HydrophobicContact CG-CG 3.94Å; Y96-S164 WeakPolarHBondContact CB-OG 3.5Å; Y96-S164 PolarHBondContact N-OG 3.25Å; Y96-L165 HydrophobicContact CD2-CB 4.04Å
97E96.9Very high96.7Very high93 Ų9377.1 Ų77.144%0.43537%0.374SS..  trans-141.3127.2169-168.6-75.1119.800107.4K95 E99 L100 C101K95-E97 PolarHBondContact O-N 3.25Å; E97-E99 PolarHBondContact O-N 2.83Å; E97-E99 WeakPolarHBondContact OE1-CB 3.46Å; E97-E99 PolarHBondContact OE1-N 3.38Å; E97-E99 PolarHBondContact OE2-N 3.04Å; E97-L100 HydrophobicContact CB-CB 4.2Å; E97-L100 PolarHBondContact O-N 3.35Å; E97-L100 WeakPolarHBondContact OE2-CB 3.23Å; E97-L100 PolarHBondContact OE2-N 2.88Å; E97-C101 VanDerWaalsContact O-CB 3.28Å; E97-C101 WeakPolarHBondContact O-CB 3.25Å; E97-C101 PolarHBondContact O-N 3.45Å; E97-C101 PolarHBondContact O-SG 2.77Å
98A95.5Very high96.7Very high59 Ų5977.1 Ų77.149%0.48837%0.374SS..Hα-helixtrans-63.9-38.6-164.200000113.3R102A98-R102 WeakPolarHBondContact O-CB 3.45Å; A98-R102 PolarHBondContact O-N 3.26Å; A98-R102 VanDerWaalsContact O-N 3.15Å
99E96.6Very high96.7Very high70 Ų7075.6 Ų75.633%0.32737%0.368SS..Hα-helixtrans-72.1-45.9-179.4-177.155.9-134.300111.4E97 R102 Q103E97-E99 PolarHBondContact O-N 2.83Å; E97-E99 WeakPolarHBondContact OE1-CB 3.46Å; E97-E99 PolarHBondContact OE1-N 3.38Å; E97-E99 PolarHBondContact OE2-N 3.04Å; E99-R102 VanDerWaalsContact CD-CZ 3.41Å; E99-R102 WeakPolarHBondContact O-CB 3.5Å; E99-R102 PolarHBondContact O-N 3.03Å; E99-R102 IonicContact OE1-CZ 3.84Å; E99-R102 IonicContact OE1-NE 2.72Å; E99-R102 IonicContact OE1-NH1 2.91Å; E99-R102 IonicContact OE1-NH2 2.82Å; E99-R102 PolarHBondContact OE1-NH2 3.32Å; E99-R102 IonicContact OE2-CZ 3.7Å; E99-R102 IonicContact OE2-NE 3.2Å; E99-R102 IonicContact OE2-NH1 2.68Å; E99-R102 PolarHBondContact OE2-NH1 3.05Å; E99-R102 IonicContact OE2-NH2 3.73Å; E99-R102 PolarHBondContact OE2-NH2 3.1Å; E99-Q103 WeakPolarHBondContact O-CG 3.47Å; E99-Q103 PolarHBondContact O-N 3.19Å; E99-Q103 PolarHBondContact OE1-NE2 2.94Å
100L95.1Very high96.8Very high58 Ų5877 Ų7730%0.30437%0.366SS..Hα-helixtrans-61.6-49.7175.5179.863.2000110.8E97 R102 Q103 M104E97-L100 HydrophobicContact CB-CB 4.2Å; E97-L100 PolarHBondContact O-N 3.35Å; E97-L100 WeakPolarHBondContact OE2-CB 3.23Å; E97-L100 PolarHBondContact OE2-N 2.88Å; L100-R102 PolarHBondContact O-N 3.2Å; L100-Q103 PolarHBondContact O-N 3.27Å; L100-M104 HydrophobicContact CD1-CE 3.92Å; L100-M104 HydrophobicContact CG-CE 4.14Å; L100-M104 WeakPolarHBondContact O-CB 3.38Å; L100-M104 PolarHBondContact O-N 2.84Å
101C96.8Very high96.9Very high9 Ų974.7 Ų74.76%0.06136%0.361CS..Hα-helixtrans-61-34.4179.1-70.30000111.9Y96 E97 Q103 M104 T105 I132Y96-C101 HydrophobicContact CE2-CB 4.27Å; E97-C101 VanDerWaalsContact O-CB 3.28Å; E97-C101 WeakPolarHBondContact O-CB 3.25Å; E97-C101 PolarHBondContact O-N 3.45Å; E97-C101 PolarHBondContact O-SG 2.77Å; C101-Q103 VanDerWaalsContact C-N 3.35Å; C101-M104 PolarHBondContact O-N 2.83Å; C101-T105 WeakPolarHBondContact O-CB 3.37Å; C101-T105 PolarHBondContact O-N 2.72Å; C101-T105 PolarHBondContact O-OG1 2.6Å; C101-I132 HydrophobicContact CB-CG2 4.08Å
102R96.3Very high96.9Very high139 Ų13974.6 Ų74.653%0.52536%0.36SS..Hα-helixtrans-63.5-40.7174.2-172.2178.975.2-146.811.5112A98 E99 L100A98-R102 WeakPolarHBondContact O-CB 3.45Å; A98-R102 PolarHBondContact O-N 3.26Å; A98-R102 VanDerWaalsContact O-N 3.15Å; E99-R102 VanDerWaalsContact CD-CZ 3.41Å; E99-R102 WeakPolarHBondContact O-CB 3.5Å; E99-R102 PolarHBondContact O-N 3.03Å; E99-R102 IonicContact OE1-CZ 3.84Å; E99-R102 IonicContact OE1-NE 2.72Å; E99-R102 IonicContact OE1-NH1 2.91Å; E99-R102 IonicContact OE1-NH2 2.82Å; E99-R102 PolarHBondContact OE1-NH2 3.32Å; E99-R102 IonicContact OE2-CZ 3.7Å; E99-R102 IonicContact OE2-NE 3.2Å; E99-R102 IonicContact OE2-NH1 2.68Å; E99-R102 PolarHBondContact OE2-NH1 3.05Å; E99-R102 IonicContact OE2-NH2 3.73Å; E99-R102 PolarHBondContact OE2-NH2 3.1Å; L100-R102 PolarHBondContact O-N 3.2Å
103Q97.1Very high97Very high101 Ų10172 Ų7247%0.47235%0.347SS..Hα-helixtrans-71.4-45.4176.3-64.4173.619.900110.8E99 L100 C101 T105 K106 T107E99-Q103 WeakPolarHBondContact O-CG 3.47Å; E99-Q103 PolarHBondContact O-N 3.19Å; E99-Q103 PolarHBondContact OE1-NE2 2.94Å; L100-Q103 PolarHBondContact O-N 3.27Å; C101-Q103 VanDerWaalsContact C-N 3.35Å; Q103-T105 VanDerWaalsContact C-N 3.31Å; Q103-T105 PolarHBondContact O-N 3.32Å; Q103-K106 WeakPolarHBondContact O-CB 3.31Å; Q103-K106 PolarHBondContact O-N 3.25Å; Q103-K106 VanDerWaalsContact O-N 3.1Å; Q103-T107 PolarHBondContact O-N 2.99Å; Q103-T107 PolarHBondContact O-OG1 3.4Å
104M96.6Very high97.2Very high27 Ų2765.3 Ų65.313%0.13332%0.324CS..Hα-helixtrans-58.9-41.7179.5-153.671.680.500111.7Y90 L91 E94 L100 C101 K106 T107 I108 I132Y90-M104 HydrophobicContact CD1-SD 3.74Å; L91-M104 HydrophobicContact CD2-CG 3.95Å; E94-M104 HydrophobicContact CG-CE 4.41Å; L100-M104 HydrophobicContact CD1-CE 3.92Å; L100-M104 HydrophobicContact CG-CE 4.14Å; L100-M104 WeakPolarHBondContact O-CB 3.38Å; L100-M104 PolarHBondContact O-N 2.84Å; C101-M104 PolarHBondContact O-N 2.83Å; M104-K106 VanDerWaalsContact C-N 3.29Å; M104-K106 PolarHBondContact O-N 3.23Å; M104-T107 PolarHBondContact O-N 2.7Å; M104-I108 HydrophobicContact CG-CD1 3.63Å; M104-I108 HydrophobicContact CG-CG1 4.14Å; M104-I108 VanDerWaalsContact O-CB 3.31Å; M104-I108 WeakPolarHBondContact O-CB 3.33Å; M104-I108 VanDerWaalsContact O-CG1 3.3Å; M104-I108 WeakPolarHBondContact O-CG1 3.28Å; M104-I108 PolarHBondContact O-N 2.92Å; M104-I132 HydrophobicContact CB-CD1 4.32Å
105T97.4Very high97.3Very high34 Ų3466 Ų6621%0.20932%0.323CS..Hα-helixtrans-56.2-44176.5-59.90000111.3C101 Q103 S109 I130 I132C101-T105 WeakPolarHBondContact O-CB 3.37Å; C101-T105 PolarHBondContact O-N 2.72Å; C101-T105 PolarHBondContact O-OG1 2.6Å; Q103-T105 VanDerWaalsContact C-N 3.31Å; Q103-T105 PolarHBondContact O-N 3.32Å; T105-S109 VanDerWaalsContact O-CB 3.3Å; T105-S109 WeakPolarHBondContact O-CB 3.12Å; T105-S109 PolarHBondContact O-N 3Å; T105-S109 PolarHBondContact O-OG 2.73Å; T105-I130 HydrophobicContact CG2-CB 3.85Å; T105-I130 HydrophobicContact CG2-CG2 4.02Å; T105-I130 WeakPolarHBondContact CG2-O 3.47Å; T105-I132 WeakPolarHBondContact OG1-CD1 3.44Å
106K97.5Very high97.4Very high143 Ų14358.6 Ų58.662%0.62229%0.291SS*.Hα-helixtrans-66.7-48.1177.1-64.9179.2-179.5-178.40111.1Q103 M104 S109 E110Q103-K106 WeakPolarHBondContact O-CB 3.31Å; Q103-K106 PolarHBondContact O-N 3.25Å; Q103-K106 VanDerWaalsContact O-N 3.1Å; M104-K106 VanDerWaalsContact C-N 3.29Å; M104-K106 PolarHBondContact O-N 3.23Å; K106-S109 PolarHBondContact O-N 3.27Å; K106-S109 PolarHBondContact O-OG 3.44Å; K106-E110 PolarHBondContact O-N 3Å; K106-E110 VanDerWaalsContact O-N 3.11Å
107T98Very high97.3Very high66 Ų6661.4 Ų61.441%0.40531%0.305SS..Hα-helixtrans-58.4-52.8179.3-58.80000111.4Y90 Q103 M104 S109 E110 V111Y90-T107 HydrophobicContact CE1-CG2 4.03Å; Q103-T107 PolarHBondContact O-N 2.99Å; Q103-T107 PolarHBondContact O-OG1 3.4Å; M104-T107 PolarHBondContact O-N 2.7Å; T107-S109 VanDerWaalsContact C-N 3.28Å; T107-S109 PolarHBondContact O-N 3.32Å; T107-E110 PolarHBondContact O-N 3.2Å; T107-V111 HydrophobicContact CG2-CG2 4.39Å; T107-V111 WeakPolarHBondContact O-CG2 3.41Å; T107-V111 PolarHBondContact O-N 2.91Å
108I98.3Very high97.3Very high0 Ų062.5 Ų62.50%031%0.314CS..Hα-helixtrans-58-42.1178.4-71.2171000110.5V86 L87 Y90 L91 M104 E110 V111 I112 I130 I132V86-I108 HydrophobicContact CG1-CG1 4.48Å; V86-I108 HydrophobicContact CG1-CG2 4Å; L87-I108 HydrophobicContact CD2-CG2 4.17Å; Y90-I108 HydrophobicContact CD1-CG1 4.27Å; Y90-I108 HydrophobicContact CD2-CG1 4.42Å; Y90-I108 HydrophobicContact CG-CD1 4.37Å; Y90-I108 HydrophobicContact CG-CG1 3.99Å; L91-I108 HydrophobicContact CD1-CD1 4.07Å; L91-I108 HydrophobicContact CD2-CD1 3.92Å; L91-I108 HydrophobicContact CG-CD1 3.97Å; M104-I108 HydrophobicContact CG-CD1 3.63Å; M104-I108 HydrophobicContact CG-CG1 4.14Å; M104-I108 VanDerWaalsContact O-CB 3.31Å; M104-I108 WeakPolarHBondContact O-CB 3.33Å; M104-I108 VanDerWaalsContact O-CG1 3.3Å; M104-I108 WeakPolarHBondContact O-CG1 3.28Å; M104-I108 PolarHBondContact O-N 2.92Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 3.35Å; I108-V111 PolarHBondContact O-N 2.96Å; I108-I112 HydrophobicContact CG2-CD1 3.56Å; I108-I112 HydrophobicContact CG2-CG1 4.36Å; I108-I112 WeakPolarHBondContact O-CB 3.38Å; I108-I112 WeakPolarHBondContact O-CG1 3.41Å; I108-I112 PolarHBondContact O-N 3.36Å; I108-I130 HydrophobicContact CG2-CD1 4.08Å; I108-I130 HydrophobicContact CG2-CG1 4.09Å; I108-I130 HydrophobicContact CG2-CG2 4.17Å; I108-I132 HydrophobicContact CD1-CD1 4.24Å
109S98.3Very high97.3Very high23 Ų2362 Ų6216%0.16130%0.303CS..Hα-helixtrans-61.8-40.6179.474.60000113T105 K106 T107 K113T105-S109 VanDerWaalsContact O-CB 3.3Å; T105-S109 WeakPolarHBondContact O-CB 3.12Å; T105-S109 PolarHBondContact O-N 3Å; T105-S109 PolarHBondContact O-OG 2.73Å; K106-S109 PolarHBondContact O-N 3.27Å; K106-S109 PolarHBondContact O-OG 3.44Å; T107-S109 VanDerWaalsContact C-N 3.28Å; T107-S109 PolarHBondContact O-N 3.32Å; S109-K113 VanDerWaalsContact O-CB 3.28Å; S109-K113 WeakPolarHBondContact O-CB 3.43Å; S109-K113 PolarHBondContact O-N 3.34Å
110E98.3Very high97Very high104 Ų10465.8 Ų65.849%0.48632%0.322SS..Hα-helixtrans-75.3-37.2178.4-71.1-57.2135.900111.8K106 T107 I108 K113 A114K106-E110 PolarHBondContact O-N 3Å; K106-E110 VanDerWaalsContact O-N 3.11Å; T107-E110 PolarHBondContact O-N 3.2Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 3.35Å; E110-K113 PolarHBondContact O-N 2.85Å; E110-K113 IonicContact OE1-NZ 3.84Å; E110-K113 PolarHBondContact OE1-NZ 3.35Å; E110-K113 IonicContact OE2-NZ 3.42Å; E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3Å
111V98.4Very high96.8Very high33 Ų3364 Ų6420%0.231%0.313CS..Hα-helixtrans-62.3-47.8174.6171.50000111.1V86 Y90 T107 I108 A114 R115V86-V111 HydrophobicContact CG1-CB 4.5Å; V86-V111 HydrophobicContact CG1-CG1 4.03Å; V86-V111 HydrophobicContact CG2-CG1 3.99Å; Y90-V111 HydrophobicContact CE2-CG1 4.41Å; T107-V111 HydrophobicContact CG2-CG2 4.39Å; T107-V111 WeakPolarHBondContact O-CG2 3.41Å; T107-V111 PolarHBondContact O-N 2.91Å; I108-V111 PolarHBondContact O-N 2.96Å; V111-A114 PolarHBondContact O-N 2.93Å; V111-R115 WeakPolarHBondContact O-CG 3.43Å; V111-R115 PolarHBondContact O-N 2.71Å
112I98.5Very high96.4Very high0 Ų066.7 Ų66.70%033%0.331CS..Hα-helixtrans-61.5-47.1175.9-72.7166.4000110L83 V86 I108 A114 R115 V116 V128 I130 A169 V171L83-I112 HydrophobicContact CD2-CB 4.45Å; L83-I112 HydrophobicContact CD2-CD1 3.78Å; L83-I112 HydrophobicContact CD2-CG1 4.11Å; L83-I112 HydrophobicContact CD2-CG2 3.48Å; L83-I112 VanDerWaalsContact CD2-CG2 3.48Å; V86-I112 HydrophobicContact CB-CD1 4.36Å; V86-I112 HydrophobicContact CB-CG1 3.95Å; V86-I112 HydrophobicContact CG1-CD1 4.21Å; V86-I112 HydrophobicContact CG1-CG1 3.88Å; V86-I112 HydrophobicContact CG2-CG1 4.07Å; I108-I112 HydrophobicContact CG2-CD1 3.56Å; I108-I112 HydrophobicContact CG2-CG1 4.36Å; I108-I112 WeakPolarHBondContact O-CB 3.38Å; I108-I112 WeakPolarHBondContact O-CG1 3.41Å; I108-I112 PolarHBondContact O-N 3.36Å; I112-A114 VanDerWaalsContact C-N 3.3Å; I112-A114 PolarHBondContact O-N 3.19Å; I112-R115 PolarHBondContact O-N 2.65Å; I112-V116 HydrophobicContact CG2-CG2 4.18Å; I112-V116 WeakPolarHBondContact O-CB 3.32Å; I112-V116 VanDerWaalsContact O-CG2 3.22Å; I112-V116 WeakPolarHBondContact O-CG2 3.3Å; I112-V116 PolarHBondContact O-N 2.9Å; I112-V128 HydrophobicContact CB-CG1 4.15Å; I112-V128 HydrophobicContact CG2-CG1 3.82Å; I112-V128 HydrophobicContact CG2-CG2 4.13Å; I112-I130 HydrophobicContact CD1-CD1 3.63Å; I112-A169 HydrophobicContact CD1-CB 4.25Å; I112-V171 HydrophobicContact CG2-CG2 3.67Å
113K98.1Very high96.1Very high57 Ų5761.9 Ų61.925%0.24831%0.313CS..Hα-helixtrans-57.9-43.9178.6-174.4-171.4-73.1155.70111.5S109 E110 K117 V128S109-K113 VanDerWaalsContact O-CB 3.28Å; S109-K113 WeakPolarHBondContact O-CB 3.43Å; S109-K113 PolarHBondContact O-N 3.34Å; E110-K113 PolarHBondContact O-N 2.85Å; E110-K113 IonicContact OE1-NZ 3.84Å; E110-K113 PolarHBondContact OE1-NZ 3.35Å; E110-K113 IonicContact OE2-NZ 3.42Å; K113-K117 HydrophobicContact CG-CD 4.48Å; K113-K117 WeakPolarHBondContact O-CB 3.25Å; K113-K117 WeakPolarHBondContact O-CG 3.5Å; K113-K117 PolarHBondContact O-N 2.83Å; K113-V128 HydrophobicContact CB-CG2 3.84Å; K113-V128 HydrophobicContact CG-CG2 4.39Å
114A98.2Very high96Very high48 Ų4858.3 Ų58.340%0.39730%0.295SS..Hα-helixtrans-62.6-53.717800000111.3E110 V111 I112 V116 K117 D118E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3Å; V111-A114 PolarHBondContact O-N 2.93Å; I112-A114 VanDerWaalsContact C-N 3.3Å; I112-A114 PolarHBondContact O-N 3.19Å; A114-V116 VanDerWaalsContact C-N 3.29Å; A114-V116 PolarHBondContact O-N 3.33Å; A114-K117 CarbonylContact O-C 3.47Å; A114-K117 WeakPolarHBondContact O-CA 3.22Å; A114-K117 WeakPolarHBondContact O-CB 3.39Å; A114-K117 PolarHBondContact O-N 3.32Å; A114-D118 VanDerWaalsContact O-CG 3.28Å; A114-D118 PolarHBondContact O-N 2.91Å
115R98.2Very high95.9Very high91 Ų9162.2 Ų62.234%0.34331%0.311SS..Hα-helixtrans-59.4-37.5179.5-71.2-175176.8-166.20.3113.1I82 D85 V111 I112 D118I82-R115 HydrophobicContact CD1-CB 4.34Å; I82-R115 HydrophobicContact CG2-CB 3.79Å; D85-R115 IonicContact OD2-CZ 3.72Å; D85-R115 IonicContact OD2-NH1 2.6Å; D85-R115 PolarHBondContact OD2-NH1 2.83Å; D85-R115 IonicContact OD2-NH2 2.73Å; V111-R115 WeakPolarHBondContact O-CG 3.43Å; V111-R115 PolarHBondContact O-N 2.71Å; I112-R115 PolarHBondContact O-N 2.65Å; R115-D118 PolarHBondContact O-N 3.11Å
116V97.4Very high95.9Very high2 Ų262 Ų621%0.01231%0.309CS..Hα-helixtrans-69.2-37.6175.51740000111.3F74 V79 I112 A114 D118 L119 I126F74-V116 HydrophobicContact CE2-CG1 3.78Å; F74-V116 HydrophobicContact CZ-CG1 4.14Å; V79-V116 HydrophobicContact CG1-CG2 3.87Å; V79-V116 HydrophobicContact CG2-CG1 4.29Å; V79-V116 HydrophobicContact CG2-CG2 4.14Å; I112-V116 HydrophobicContact CG2-CG2 4.18Å; I112-V116 WeakPolarHBondContact O-CB 3.32Å; I112-V116 VanDerWaalsContact O-CG2 3.22Å; I112-V116 WeakPolarHBondContact O-CG2 3.3Å; I112-V116 PolarHBondContact O-N 2.9Å; A114-V116 VanDerWaalsContact C-N 3.29Å; A114-V116 PolarHBondContact O-N 3.33Å; V116-D118 VanDerWaalsContact C-N 3.31Å; V116-L119 WeakPolarHBondContact O-CB 3.3Å; V116-L119 PolarHBondContact O-N 3.25Å; V116-I126 HydrophobicContact CB-CG2 4.47Å; V116-I126 HydrophobicContact CG1-CD1 4.18Å; V116-I126 HydrophobicContact CG1-CG1 4.23Å; V116-I126 HydrophobicContact CG1-CG2 3.92Å
117K95.9Very high95.9Very high132 Ų13259.5 Ų59.557%0.57430%0.301SS*.Hα-helixtrans-66.9-32.1174.2-79.1-175.5173-170.90112.6K113 A114 L119 M120K113-K117 HydrophobicContact CG-CD 4.48Å; K113-K117 WeakPolarHBondContact O-CB 3.25Å; K113-K117 WeakPolarHBondContact O-CG 3.5Å; K113-K117 PolarHBondContact O-N 2.83Å; A114-K117 CarbonylContact O-C 3.47Å; A114-K117 WeakPolarHBondContact O-CA 3.22Å; A114-K117 WeakPolarHBondContact O-CB 3.39Å; A114-K117 PolarHBondContact O-N 3.32Å; K117-L119 PolarHBondContact O-N 3.2Å; K117-M120 PolarHBondContact O-N 2.93Å
118D96.8Very high95.9Very high117 Ų11757.5 Ų57.563%0.62629%0.289SS*.Hα-helixtrans-66.2-17.2177-65.4-24.2000113.1A114 R115 V116 M120A114-D118 VanDerWaalsContact O-CG 3.28Å; A114-D118 PolarHBondContact O-N 2.91Å; R115-D118 PolarHBondContact O-N 3.11Å; V116-D118 VanDerWaalsContact C-N 3.31Å; D118-M120 PolarHBondContact O-N 2.68Å
119L94.6Very high95.9Very high49 Ų4961.6 Ų61.626%0.25731%0.31SS..THydrogen-bonded Turntrans-68.5-8.5169.3-56.4179.9000112.9P75 T78 V79 I82 V116 K117 V121P75-L119 HydrophobicContact CG-CD1 3.76Å; T78-L119 HydrophobicContact CG2-CD1 4.24Å; T78-L119 HydrophobicContact CG2-CD2 4.07Å; V79-L119 HydrophobicContact CG2-CD1 3.68Å; I82-L119 HydrophobicContact CD1-CD1 3.98Å; I82-L119 HydrophobicContact CD1-CD2 4.33Å; I82-L119 HydrophobicContact CD1-CG 4.33Å; V116-L119 WeakPolarHBondContact O-CB 3.3Å; V116-L119 PolarHBondContact O-N 3.25Å; K117-L119 PolarHBondContact O-N 3.2Å; L119-V121 VanDerWaalsContact C-N 3.29Å; L119-V121 HydrophobicContact CB-CG2 3.98Å; L119-V121 PolarHBondContact O-N 3.22Å
120M91.8Very high95.8Very high148 Ų14861.1 Ų61.173%0.72931%0.306SS*.  trans4950.3176.9-60.8-175-18000111.9K117 D118 P122K117-M120 PolarHBondContact O-N 2.93Å; D118-M120 PolarHBondContact O-N 2.68Å; M120-P122 WeakPolarHBondContact O-CD 3.08Å
121V90.1Very high95.8Very high20 Ų2058 Ų5812%0.12130%0.295CS..  trans-85.4103.7173.4-164.10000107.4P75 L119 Y124P75-V121 HydrophobicContact CG-CG2 4.25Å; L119-V121 VanDerWaalsContact C-N 3.29Å; L119-V121 HydrophobicContact CB-CG2 3.98Å; L119-V121 PolarHBondContact O-N 3.22Å; V121-Y124 HydrophobicContact CB-CD2 4.38Å; V121-Y124 HydrophobicContact CG1-CD2 3.47Å; V121-Y124 VanDerWaalsContact CG1-CD2 3.47Å; V121-Y124 HydrophobicContact CG1-CE2 3.78Å; V121-Y124 HydrophobicContact CG1-CG 4.43Å
122P88.8Confident95.7Very high66 Ų6657.7 Ų57.743%0.42929%0.292SS..THydrogen-bonded Turntrans-69156.4-174.931.5-36.1000110.3M120 Y124M120-P122 WeakPolarHBondContact O-CD 3.08Å; P122-Y124 VanDerWaalsContact C-N 3.3Å; P122-Y124 VanDerWaalsContact O-CD2 3.3Å; P122-Y124 WeakPolarHBondContact O-CD2 3.31Å; P122-Y124 PolarHBondContact O-N 3.02Å
123R90.8Very high95.5Very high39 Ų3958.1 Ų58.115%0.14730%0.297CS..THydrogen-bonded Turntrans60.134.5171.9-58.7-164.995-176.433114.6N64 T65 Q67 Y175 F176 E177N64-R123 PolarHBondContact OD1-NH2 2.86Å; N64-R123 VanDerWaalsContact OD1-NH2 3.1Å; T65-R123 PolarHBondContact O-NH2 2.8Å; Q67-R123 PolarHBondContact O-NH1 2.67Å; Q67-R123 VanDerWaalsContact O-NH1 3.11Å; R123-Y175 HydrophobicContact CB-CD2 4.11Å; R123-Y175 HydrophobicContact CB-CE2 3.66Å; R123-Y175 PolarHBondContact NH1-OH 3.06Å; R123-Y175 CarbonylContact O-C 3.44Å; R123-Y175 WeakPolarHBondContact O-CA 3.23Å; R123-Y175 WeakPolarHBondContact O-CD2 3.47Å; R123-F176 VanDerWaalsContact CB-O 3.23Å; R123-F176 WeakPolarHBondContact CB-O 2.81Å; R123-F176 PolarHBondContact NE-O 2.84Å; R123-F176 PolarHBondContact O-N 3.42Å; R123-E177 PolarHBondContact NE-OXT 3.25Å; R123-E177 VanDerWaalsContact NH2-C 3.34Å; R123-E177 VanDerWaalsContact NH2-CG 3.26Å; R123-E177 PolarHBondContact NH2-OXT 2.7Å
124Y94.1Very high95.4Very high25 Ų2560.5 Ų60.510%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-124.8129.1170-80.8-84.3000111P70 F74 V121 P122 N152 A173 V174 Y175P70-Y124 HydrophobicContact CB-CE2 3.96Å; F74-Y124 HydrophobicContact CB-CE1 4.31Å; V121-Y124 HydrophobicContact CB-CD2 4.38Å; V121-Y124 HydrophobicContact CG1-CD2 3.47Å; V121-Y124 VanDerWaalsContact CG1-CD2 3.47Å; V121-Y124 HydrophobicContact CG1-CE2 3.78Å; V121-Y124 HydrophobicContact CG1-CG 4.43Å; P122-Y124 VanDerWaalsContact C-N 3.3Å; P122-Y124 VanDerWaalsContact O-CD2 3.3Å; P122-Y124 WeakPolarHBondContact O-CD2 3.31Å; P122-Y124 PolarHBondContact O-N 3.02Å; Y124-N152 VanDerWaalsContact CE1-O 3.22Å; Y124-N152 WeakPolarHBondContact CE1-O 3.1Å; Y124-N152 PolarHBondContact OH-O 2.79Å; Y124-A173 HydrophobicContact CD1-CB 3.78Å; Y124-A173 HydrophobicContact CE1-CB 4.28Å; Y124-A173 HydrophobicContact CG-CB 4.49Å; Y124-V174 CarbonylContact C-O 3.57Å; Y124-V174 WeakPolarHBondContact CA-O 3.31Å; Y124-Y175 HydrophobicContact CE2-CD2 4.28Å
125K94.9Very high95.1Very high110 Ų11061.3 Ų61.348%0.47831%0.306SS..EExtended strand (participates in β ladder)trans-80.4121.1162.7-76.1173.4176.6170.40108.2V174 F176K125-V174 PolarHBondContact N-O 3.27Å; K125-V174 PolarHBondContact O-N 2.94Å; K125-F176 HydrophobicContact CD-CB 4.16Å; K125-F176 HydrophobicContact CD-CD2 3.97Å; K125-F176 HydrophobicContact CD-CG 4.11Å; K125-F176 HydrophobicContact CG-CB 3.95Å; K125-F176 HydrophobicContact CG-CG 4.2Å
126I96.9Very high94.6Very high29 Ų2959.2 Ų59.215%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-101.8121.7-179-53.5-55.6000109.6F74 V116 V128 V171 Y172 A173F74-I126 HydrophobicContact CD2-CD1 4.24Å; F74-I126 HydrophobicContact CE2-CD1 3.75Å; V116-I126 HydrophobicContact CB-CG2 4.47Å; V116-I126 HydrophobicContact CG1-CD1 4.18Å; V116-I126 HydrophobicContact CG1-CG1 4.23Å; V116-I126 HydrophobicContact CG1-CG2 3.92Å; I126-V128 HydrophobicContact CG2-CG2 4.14Å; I126-V171 HydrophobicContact CG2-CG1 3.91Å; I126-Y172 WeakPolarHBondContact CA-O 3.41Å; I126-A173 HydrophobicContact CD1-CB 3.99Å
127I97.3Very high94Very high91 Ų9167.7 Ų67.747%0.46735%0.351SS..EExtended strand (participates in β ladder)trans-115.3126.3176.4-54.9166.4000107.5V171 Y172I127-V171 CarbonylContact O-C 3.57Å; I127-V171 VanDerWaalsContact O-CA 3.31Å; I127-V171 WeakPolarHBondContact O-CA 3.3Å; I127-Y172 HydrophobicContact CB-CD2 4.47Å; I127-Y172 HydrophobicContact CG2-CD2 4.45Å; I127-Y172 PolarHBondContact N-O 3.43Å; I127-Y172 PolarHBondContact O-N 2.93Å
128V98.1Very high93.4Very high24 Ų2469.2 Ų69.215%0.14536%0.36CS..EExtended strand (participates in β ladder)trans-116.3125.1179-174.50000108.6I112 K113 I126 I130 N170 V171I112-V128 HydrophobicContact CB-CG1 4.15Å; I112-V128 HydrophobicContact CG2-CG1 3.82Å; I112-V128 HydrophobicContact CG2-CG2 4.13Å; K113-V128 HydrophobicContact CB-CG2 3.84Å; K113-V128 HydrophobicContact CG-CG2 4.39Å; I126-V128 HydrophobicContact CG2-CG2 4.14Å; V128-I130 HydrophobicContact CG1-CD1 3.77Å; V128-I130 HydrophobicContact CG1-CG1 4.05Å; V128-N170 WeakPolarHBondContact CA-O 3.3Å; V128-V171 HydrophobicContact CG1-CG2 4.27Å; V128-V171 HydrophobicContact CG2-CG2 4.14Å
129L97.8Very high92.8Very high86 Ų8671.1 Ų71.145%0.4537%0.37SS..EExtended strand (participates in β ladder)trans-121.8119.1175.5178.465.5000109.1N170L129-N170 HydrophobicContact CB-CB 4.39Å; L129-N170 PolarHBondContact N-O 3.2Å; L129-N170 PolarHBondContact O-N 3.03Å
130I97.8Very high92.6Very high12 Ų1273.6 Ų73.66%0.06238%0.382CS..EExtended strand (participates in β ladder)trans-114.8134.2178.2-51.1-58.8000108.4T105 I108 I112 V128 I132 A169T105-I130 HydrophobicContact CG2-CB 3.85Å; T105-I130 HydrophobicContact CG2-CG2 4.02Å; T105-I130 WeakPolarHBondContact CG2-O 3.47Å; I108-I130 HydrophobicContact CG2-CD1 4.08Å; I108-I130 HydrophobicContact CG2-CG1 4.09Å; I108-I130 HydrophobicContact CG2-CG2 4.17Å; I112-I130 HydrophobicContact CD1-CD1 3.63Å; V128-I130 HydrophobicContact CG1-CD1 3.77Å; V128-I130 HydrophobicContact CG1-CG1 4.05Å; I130-I132 HydrophobicContact CG2-CG1 4.18Å; I130-A169 HydrophobicContact CD1-CB 3.45Å; I130-A169 VanDerWaalsContact CD1-CB 3.45Å
131S96.5Very high92.5Very high38 Ų3878 Ų7827%0.26639%0.39SS..EExtended strand (participates in β ladder)trans-128.2121.9174.6-59.90000108.7A167 V168S131-A167 CarbonylContact O-C 3.6Å; S131-A167 WeakPolarHBondContact O-CA 3.29Å; S131-V168 PolarHBondContact N-O 3.32Å; S131-V168 PolarHBondContact O-N 3.48Å
132I96.6Very high92.6Very high27 Ų2780.3 Ų80.314%0.13840%0.401CS..EExtended strand (participates in β ladder)trans-117.9135175.4-54.7-179.2000107.6L91 C101 M104 T105 I108 I130 L165 F166 A167L91-I132 HydrophobicContact CD1-CD1 4.26Å; L91-I132 HydrophobicContact CD2-CD1 4.16Å; C101-I132 HydrophobicContact CB-CG2 4.08Å; M104-I132 HydrophobicContact CB-CD1 4.32Å; T105-I132 WeakPolarHBondContact OG1-CD1 3.44Å; I108-I132 HydrophobicContact CD1-CD1 4.24Å; I130-I132 HydrophobicContact CG2-CG1 4.18Å; I132-L165 HydrophobicContact CG2-CD1 4.42Å; I132-L165 HydrophobicContact CG2-CD2 4.33Å; I132-F166 WeakPolarHBondContact CA-O 3.18Å; I132-A167 HydrophobicContact CG1-CB 4.03Å
133G94.9Very high92.8Very high10 Ų1080.7 Ų80.710%0.10342%0.417CS..EExtended strand (participates in β ladder)trans-144.6159.5178.700000112.8L165 F166G133-L165 CarbonylContact O-C 3.55Å; G133-L165 VanDerWaalsContact O-CA 3.26Å; G133-L165 WeakPolarHBondContact O-CA 3.47Å; G133-L165 VanDerWaalsContact O-CB 3.28Å; G133-L165 WeakPolarHBondContact O-CB 3.35Å; G133-F166 PolarHBondContact N-O 2.76Å; G133-F166 WeakPolarHBondContact O-CD1 3.31Å; G133-F166 PolarHBondContact O-N 3.29Å
134Q95.6Very high92.8Very high107 Ų10781.6 Ų81.650%0.543%0.429SS..EExtended strand (participates in β ladder)trans-70.3141.5176.5-169.4175.7-2.400110.4Y96 S136 F166Y96-Q134 HydrophobicContact CD1-CB 3.61Å; Y96-Q134 HydrophobicContact CD1-CG 3.76Å; Y96-Q134 HydrophobicContact CD2-CB 3.98Å; Y96-Q134 HydrophobicContact CE1-CB 3.72Å; Y96-Q134 HydrophobicContact CE1-CG 4.29Å; Y96-Q134 HydrophobicContact CE2-CB 4.09Å; Y96-Q134 VanDerWaalsContact CE2-N 3.3Å; Y96-Q134 HydrophobicContact CG-CB 3.72Å; Y96-Q134 HydrophobicContact CG-CG 3.94Å; Q134-S136 PolarHBondContact O-N 3.46Å; Q134-F166 WeakPolarHBondContact O-CE1 3.4Å
135L93.3Very high92.8Very high65 Ų6592.3 Ų92.334%0.3447%0.47SS..  trans-8796.8169.3-167.771.3000109K161 S164L135-K161 HydrophobicContact CD1-CD 4.38Å; L135-K161 HydrophobicContact CD2-CG 4.5Å; L135-S164 PolarHBondContact N-O 3.11Å
136S86.7Confident92.6Very high47 Ų4790.2 Ų90.233%0.32947%0.468SS..SBendtrans-134.260.2-177.574.70000113.9Q134 Q138Q134-S136 PolarHBondContact O-N 3.46Å; S136-Q138 WeakPolarHBondContact O-CG 3.45Å; S136-Q138 PolarHBondContact O-N 3.5Å
137D83.8Confident92.5Very high179 Ų17997.7 Ų97.796%0.95751%0.507SS*.SBendtrans49.721.7178.3-61.2-32.6000115.6
138Q83.4Confident92.3Very high164 Ų16497.2 Ų97.277%0.76650%0.5SS*.  trans-107.7153.3176.9-72.5174.53.400109.9S136S136-Q138 WeakPolarHBondContact O-CG 3.45Å; S136-Q138 PolarHBondContact O-N 3.5Å
139N86.1Confident92Very high157 Ų15799 Ų9984%0.8451%0.509SS*.  trans-106.6135.3176.6-166.9-17.6000110.1
140M88.8Confident91.7Very high102 Ų102100 Ų10050%0.50252%0.523SS..  trans-131.6132175.6-164.7-178.877.400109.8I142 F166M140-I142 HydrophobicContact CE-CD1 3.64Å; M140-I142 HydrophobicContact CE-CG1 3.83Å; M140-F166 HydrophobicContact CE-CD2 4.29Å; M140-F166 HydrophobicContact CE-CE2 3.15Å; M140-F166 HydrophobicContact CE-CZ 3.3Å; M140-F166 HydrophobicContact SD-CE2 4.23Å; M140-F166 HydrophobicContact SD-CZ 3.76Å
141R91Very high91.3Very high240 Ų240103.2 Ų103.291%0.90655%0.546SS*.  trans-120124.6175.4-167.9174.1-173.4-176.92.1109.9
142I91.6Very high91.1Very high68 Ų68102.1 Ų102.135%0.34954%0.538SS..  trans-101.1133.9174.2-62.8174.9000108.3M140 V168M140-I142 HydrophobicContact CE-CD1 3.64Å; M140-I142 HydrophobicContact CE-CG1 3.83Å; I142-V168 HydrophobicContact CD1-CB 3.78Å; I142-V168 HydrophobicContact CD1-CG1 4.04Å; I142-V168 HydrophobicContact CD1-CG2 3.88Å
143G93Very high91Very high75 Ų75101.8 Ų101.877%0.77354%0.536SS*.  trans-140.7147.2171.900000110.2
144S91.6Very high91.1Very high57 Ų57103.2 Ų103.240%0.39954%0.543SS..  trans-124.6146.6175.749.90000110.2Y172S144-Y172 WeakPolarHBondContact CB-OH 3.3Å; S144-Y172 PolarHBondContact OG-OH 3.41Å; S144-Y172 VanDerWaalsContact OG-OH 3.05Å
145R93.3Very high91.1Very high250 Ų250102.6 Ų102.694%0.94354%0.538SS*.  trans-130132173-65.7-169.1-66.6173.3-1.2107.9
146C90.4Very high91.3Very high67 Ų6799.6 Ų99.645%0.45352%0.523SS..  trans-131.6143.2-176.1-59.80000109.6W148C146-W148 HydrophobicContact CB-CB 4.5Å; C146-W148 HydrophobicContact CB-CD2 3.7Å; C146-W148 HydrophobicContact CB-CE3 4.09Å; C146-W148 HydrophobicContact CB-CG 3.89Å; C146-W148 HydrophobicContact CB-CZ2 4.46Å
147L94.1Very high91.8Very high185 Ų18599.5 Ų99.597%0.96952%0.523SS*.  trans-106.7106.6163.3-179.366.8000106.4
148W94.3Very high92.5Very high82 Ų8292.8 Ų92.831%0.31149%0.485SS..SBendtrans-157.7169.5-168.467.1-3.4000110.2C146 S150 D153 T154 F155 Y172 V174C146-W148 HydrophobicContact CB-CB 4.5Å; C146-W148 HydrophobicContact CB-CD2 3.7Å; C146-W148 HydrophobicContact CB-CE3 4.09Å; C146-W148 HydrophobicContact CB-CG 3.89Å; C146-W148 HydrophobicContact CB-CZ2 4.46Å; W148-S150 PolarHBondContact O-N 3.49Å; W148-D153 HydrophobicContact CB-CB 3.93Å; W148-D153 VanDerWaalsContact CB-OD2 3.29Å; W148-D153 WeakPolarHBondContact CB-OD2 3.33Å; W148-D153 HydrophobicContact CD2-CB 3.57Å; W148-D153 HydrophobicContact CE3-CB 3.47Å; W148-D153 VanDerWaalsContact CE3-CB 3.47Å; W148-D153 HydrophobicContact CG-CB 3.8Å; W148-D153 HydrophobicContact CZ3-CB 4.14Å; W148-T154 WeakPolarHBondContact CH2-O 3.41Å; W148-T154 WeakPolarHBondContact CZ3-O 3.34Å; W148-F155 HydrophobicContact CH2-CB 3.98Å; W148-F155 AromaticContact CH2-CD1 3.84Å; W148-F155 HydrophobicContact CH2-CD1 3.84Å; W148-F155 HydrophobicContact CH2-CG 4.33Å; W148-F155 HydrophobicContact CZ2-CD1 4.05Å; W148-Y172 HydrophobicContact CH2-CD1 4.13Å; W148-Y172 AromaticContact CZ3-CD1 3.99Å; W148-Y172 HydrophobicContact CZ3-CD1 3.99Å; W148-V174 HydrophobicContact CE3-CG2 4.32Å
149D91.9Very high93.1Very high62 Ų6288.9 Ų88.933%0.33248%0.476SS..  trans-75.6110.5177.1172.322.5000110.3S151 N152 D153D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 WeakPolarHBondContact OD1-CB 3.36Å; D149-S151 PolarHBondContact OD1-N 3.27Å; D149-S151 PolarHBondContact OD1-OG 2.78Å; D149-N152 PolarHBondContact O-N 3.42Å; D149-N152 WeakPolarHBondContact OD2-CB 3.44Å; D149-N152 PolarHBondContact OD2-N 2.99Å; D149-N152 PolarHBondContact OD2-ND2 3.31Å; D149-D153 PolarHBondContact N-OD2 3.49Å; D149-D153 VanDerWaalsContact O-CB 3.31Å; D149-D153 WeakPolarHBondContact O-CB 3.46Å; D149-D153 PolarHBondContact O-N 3.49Å
150S91.1Very high93.6Very high107 Ų10782 Ų8275%0.74844%0.439SS*.THydrogen-bonded Turntrans-57.8-19.6178.751.90000114.5W148W148-S150 PolarHBondContact O-N 3.49Å
151S90.4Very high93.9Very high78 Ų7884 Ų8455%0.54544%0.444SS..THydrogen-bonded Turntrans-81.3-53.2178.5-47.80000110.2R73 D149R73-S151 VanDerWaalsContact NH1-C 3.29Å; R73-S151 PolarHBondContact NH1-O 3.31Å; D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 WeakPolarHBondContact OD1-CB 3.36Å; D149-S151 PolarHBondContact OD1-N 3.27Å; D149-S151 PolarHBondContact OD1-OG 2.78Å
152N91.4Very high94.1Very high16 Ų1673.5 Ų73.59%0.08641%0.406CS..THydrogen-bonded Turntrans-99.3-30-166.5-59.6-37.1000114.1P70 R73 Y124 D149 Y175P70-N152 WeakPolarHBondContact CD-OD1 3.36Å; P70-N152 HydrophobicContact CG-CB 4.43Å; R73-N152 PolarHBondContact NH1-OD1 2.82Å; R73-N152 PolarHBondContact NH2-OD1 3.38Å; Y124-N152 VanDerWaalsContact CE1-O 3.22Å; Y124-N152 WeakPolarHBondContact CE1-O 3.1Å; Y124-N152 PolarHBondContact OH-O 2.79Å; D149-N152 PolarHBondContact O-N 3.42Å; D149-N152 WeakPolarHBondContact OD2-CB 3.44Å; D149-N152 PolarHBondContact OD2-N 2.99Å; D149-N152 PolarHBondContact OD2-ND2 3.31Å; N152-Y175 HydrophobicContact CB-CD1 4.29Å; N152-Y175 HydrophobicContact CB-CG 4.07Å
153D94.7Very high94.3Very high20 Ų2075.5 Ų75.511%0.10743%0.426CS..  trans-89141.6-178.4-56.3-34.7000111W148 D149 A173 V174 Y175W148-D153 HydrophobicContact CB-CB 3.93Å; W148-D153 VanDerWaalsContact CB-OD2 3.29Å; W148-D153 WeakPolarHBondContact CB-OD2 3.33Å; W148-D153 HydrophobicContact CD2-CB 3.57Å; W148-D153 HydrophobicContact CE3-CB 3.47Å; W148-D153 VanDerWaalsContact CE3-CB 3.47Å; W148-D153 HydrophobicContact CG-CB 3.8Å; W148-D153 HydrophobicContact CZ3-CB 4.14Å; D149-D153 PolarHBondContact N-OD2 3.49Å; D149-D153 VanDerWaalsContact O-CB 3.31Å; D149-D153 WeakPolarHBondContact O-CB 3.46Å; D149-D153 PolarHBondContact O-N 3.49Å; D153-A173 WeakPolarHBondContact CA-O 3.42Å; D153-V174 VanDerWaalsContact OD1-CA 3.27Å; D153-V174 WeakPolarHBondContact OD1-CA 3.46Å; D153-Y175 PolarHBondContact OD1-N 3.36Å
154T95.9Very high94.4Very high40 Ų4073.3 Ų73.325%0.24540%0.399CS..EExtended strand (participates in β ladder)trans-155.6173.9-176.5-165.60000112.2F74 V76 W148 A173F74-T154 HydrophobicContact CB-CG2 3.68Å; F74-T154 HydrophobicContact CD1-CG2 3.42Å; F74-T154 VanDerWaalsContact CD1-CG2 3.42Å; F74-T154 HydrophobicContact CE1-CG2 4.32Å; F74-T154 HydrophobicContact CG-CG2 3.87Å; V76-T154 HydrophobicContact CG2-CG2 3.89Å; W148-T154 WeakPolarHBondContact CH2-O 3.41Å; W148-T154 WeakPolarHBondContact CZ3-O 3.34Å; T154-A173 HydrophobicContact CG2-CB 4.2Å; T154-A173 PolarHBondContact N-O 3.41Å; T154-A173 PolarHBondContact O-N 2.96Å
155F96.8Very high94.6Very high93 Ų9370.6 Ų70.641%0.40838%0.381SS..EExtended strand (participates in β ladder)trans-142.7160.5174.673-72.7000111.9W148 V171 Y172W148-F155 HydrophobicContact CH2-CB 3.98Å; W148-F155 AromaticContact CH2-CD1 3.84Å; W148-F155 HydrophobicContact CH2-CD1 3.84Å; W148-F155 HydrophobicContact CH2-CG 4.33Å; W148-F155 HydrophobicContact CZ2-CD1 4.05Å; F155-V171 CarbonylContact C-O 3.59Å; F155-V171 WeakPolarHBondContact CA-O 3.18Å; F155-V171 VanDerWaalsContact CB-O 3.3Å; F155-V171 WeakPolarHBondContact CB-O 3.4Å; F155-Y172 HydrophobicContact CB-CD1 3.65Å; F155-Y172 HydrophobicContact CB-CE1 3.99Å; F155-Y172 HydrophobicContact CB-CG 4.33Å; F155-Y172 HydrophobicContact CG-CD1 4.47Å; F155-Y172 HydrophobicContact CG-CE1 4.4Å
156S97.3Very high94.8Very high3 Ų360.7 Ų60.72%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-127.5139.6166.4-169.20000108.9V76 N80 N170 V171V76-S156 PolarHBondContact O-OG 3.19Å; N80-S156 WeakPolarHBondContact CA-OG 3.36Å; N80-S156 PolarHBondContact N-OG 3.34Å; N80-S156 PolarHBondContact ND2-OG 3.39Å; S156-N170 WeakPolarHBondContact O-CA 3.43Å; S156-V171 PolarHBondContact N-O 3.01Å; S156-V171 PolarHBondContact O-N 3.44Å
157S97Very high95.1Very high45 Ų4557.5 Ų57.532%0.31532%0.323SS..EExtended strand (participates in β ladder)trans-134.2137.8-178.7-1710000110.3N80 A169 N170N80-S157 PolarHBondContact ND2-O 3.48Å; S157-A169 VanDerWaalsContact CA-O 3.31Å; S157-A169 WeakPolarHBondContact CA-O 3.42Å; S157-N170 WeakPolarHBondContact CB-OD1 3.2Å; S157-N170 PolarHBondContact OG-OD1 3.47Å
158H97.9Very high95.2Very high37 Ų3749.4 Ų49.417%0.17128%0.281CS..EExtended strand (participates in β ladder)trans-139138.4174.9-167.881.2000110.3L83 V168 A169L83-H158 HydrophobicContact CB-CB 3.63Å; L83-H158 HydrophobicContact CD1-CB 4Å; L83-H158 HydrophobicContact CG-CB 4.46Å; H158-V168 WeakPolarHBondContact O-CA 3.28Å; H158-A169 PolarHBondContact N-O 2.88Å; H158-A169 PolarHBondContact O-N 2.8Å
159S96.9Very high95.4Very high83 Ų8345.5 Ų45.558%0.5827%0.266SS*.EExtended strand (participates in β ladder)trans-116.5127.6179.5-63.50000109.6A167S159-A167 CarbonylContact C-O 3.59Å; S159-A167 WeakPolarHBondContact CA-O 3.27Å
160F96.8Very high95.7Very high12 Ų1242.9 Ų42.95%0.05325%0.252CS..EExtended strand (participates in β ladder)trans-114.7147.3179.3171.4-91.8000110.3L87 D88 L91 Q92 N162 L165 F166 A167L87-F160 HydrophobicContact CB-CB 3.93Å; L87-F160 HydrophobicContact CB-CD2 4.43Å; L87-F160 HydrophobicContact CB-CG 4.2Å; L87-F160 HydrophobicContact CD1-CB 3.96Å; L87-F160 HydrophobicContact CG-CB 4.47Å; D88-F160 WeakPolarHBondContact OD1-CD2 3.26Å; D88-F160 VanDerWaalsContact OD1-CE2 3.29Å; D88-F160 WeakPolarHBondContact OD1-CE2 3.22Å; L91-F160 HydrophobicContact CB-CD1 3.93Å; L91-F160 HydrophobicContact CB-CE1 3.48Å; L91-F160 VanDerWaalsContact CB-CE1 3.48Å; L91-F160 HydrophobicContact CB-CZ 4.01Å; L91-F160 HydrophobicContact CD1-CD1 4.06Å; L91-F160 HydrophobicContact CD1-CE1 4.43Å; Q92-F160 VanDerWaalsContact OE1-CE2 3.25Å; F160-N162 HydrophobicContact CE1-CB 3.89Å; F160-N162 HydrophobicContact CZ-CB 3.81Å; F160-L165 HydrophobicContact CD1-CD1 4.22Å; F160-L165 HydrophobicContact CE1-CD1 3.96Å; F160-F166 CarbonylContact O-C 3.6Å; F160-F166 WeakPolarHBondContact O-CA 3.17Å; F160-A167 HydrophobicContact CB-CB 4.35Å; F160-A167 HydrophobicContact CD1-CB 4.31Å; F160-A167 PolarHBondContact N-O 3.4Å; F160-A167 PolarHBondContact O-N 2.88Å
161K95.6Very high96Very high143 Ų14337.8 Ų37.862%0.62222%0.216SC*.EExtended strand (participates in β ladder)trans-149.4132.5176.1179.4-179.4174.8-179.30110.2L135L135-K161 HydrophobicContact CD1-CD 4.38Å; L135-K161 HydrophobicContact CD2-CG 4.5Å
162N95Very high96.4Very high20 Ų2035.3 Ų35.311%0.10720%0.195CC..  trans-118.5-160.3168.674.914.5000110.8L91 E94 F160 S164 L165L91-N162 PolarHBondContact O-ND2 3.36Å; E94-N162 PolarHBondContact O-ND2 3.1Å; F160-N162 HydrophobicContact CE1-CB 3.89Å; F160-N162 HydrophobicContact CZ-CB 3.81Å; N162-S164 PolarHBondContact OD1-N 2.61Å; N162-L165 PolarHBondContact N-O 3.03Å; N162-L165 PolarHBondContact OD1-N 3.17Å; N162-L165 PolarHBondContact OD1-O 2.98Å
163S94.8Very high96.6Very high110 Ų11034.5 Ų34.577%0.76919%0.191SC*.SBendtrans-72.6-22.3-179.457.70000114.9
164S95.8Very high96.6Very high29 Ų2935.7 Ų35.720%0.20320%0.199CC..SBendtrans-121.5-25.4-171.5-1770000114.5Y96 L135 N162Y96-S164 WeakPolarHBondContact CB-OG 3.5Å; Y96-S164 PolarHBondContact N-OG 3.25Å; L135-S164 PolarHBondContact N-O 3.11Å; N162-S164 PolarHBondContact OD1-N 2.61Å
165L96.1Very high96.5Very high1 Ų135.4 Ų35.41%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-142.9165.3-174.262.878.6000112L91 Y96 I132 G133 F160 N162L91-L165 HydrophobicContact CB-CD1 4.3Å; L91-L165 HydrophobicContact CD1-CD1 4.35Å; Y96-L165 HydrophobicContact CD2-CB 4.04Å; I132-L165 HydrophobicContact CG2-CD1 4.42Å; I132-L165 HydrophobicContact CG2-CD2 4.33Å; G133-L165 CarbonylContact O-C 3.55Å; G133-L165 VanDerWaalsContact O-CA 3.26Å; G133-L165 WeakPolarHBondContact O-CA 3.47Å; G133-L165 VanDerWaalsContact O-CB 3.28Å; G133-L165 WeakPolarHBondContact O-CB 3.35Å; F160-L165 HydrophobicContact CD1-CD1 4.22Å; F160-L165 HydrophobicContact CE1-CD1 3.96Å; N162-L165 PolarHBondContact N-O 3.03Å; N162-L165 PolarHBondContact OD1-N 3.17Å; N162-L165 PolarHBondContact OD1-O 2.98Å
166F95.8Very high96Very high42 Ų4235.8 Ų35.818%0.18420%0.195CC..EExtended strand (participates in β ladder)trans-123.8156.9165.371.4-92.8000109.3I132 G133 Q134 M140 F160 V168I132-F166 WeakPolarHBondContact CA-O 3.18Å; G133-F166 PolarHBondContact N-O 2.76Å; G133-F166 WeakPolarHBondContact O-CD1 3.31Å; G133-F166 PolarHBondContact O-N 3.29Å; Q134-F166 WeakPolarHBondContact O-CE1 3.4Å; M140-F166 HydrophobicContact CE-CD2 4.29Å; M140-F166 HydrophobicContact CE-CE2 3.15Å; M140-F166 HydrophobicContact CE-CZ 3.3Å; M140-F166 HydrophobicContact SD-CE2 4.23Å; M140-F166 HydrophobicContact SD-CZ 3.76Å; F160-F166 CarbonylContact O-C 3.6Å; F160-F166 WeakPolarHBondContact O-CA 3.17Å; F166-V168 HydrophobicContact CD2-CG2 4.47Å
167A96.9Very high94.7Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-139.2145.9171.200000111.2L87 L91 S131 I132 S159 F160L87-A167 HydrophobicContact CD2-CB 4.02Å; L91-A167 HydrophobicContact CD1-CB 3.42Å; L91-A167 VanDerWaalsContact CD1-CB 3.42Å; S131-A167 CarbonylContact O-C 3.6Å; S131-A167 WeakPolarHBondContact O-CA 3.29Å; I132-A167 HydrophobicContact CG1-CB 4.03Å; S159-A167 CarbonylContact C-O 3.59Å; S159-A167 WeakPolarHBondContact CA-O 3.27Å; F160-A167 HydrophobicContact CB-CB 4.35Å; F160-A167 HydrophobicContact CD1-CB 4.31Å; F160-A167 PolarHBondContact N-O 3.4Å; F160-A167 PolarHBondContact O-N 2.88Å
168V97.3Very high94.6Very high15 Ų1539.4 Ų39.49%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-128.6122.2173.6-1760000108.1S131 I142 H158 F166S131-V168 PolarHBondContact N-O 3.32Å; S131-V168 PolarHBondContact O-N 3.48Å; I142-V168 HydrophobicContact CD1-CB 3.78Å; I142-V168 HydrophobicContact CD1-CG1 4.04Å; I142-V168 HydrophobicContact CD1-CG2 3.88Å; H158-V168 WeakPolarHBondContact O-CA 3.28Å; F166-V168 HydrophobicContact CD2-CG2 4.47Å
169A98.1Very high94.4Very high0 Ų039.5 Ų39.50%021%0.21CC..EExtended strand (participates in β ladder)trans-107.2130.7174.400000110.1L83 L87 I112 I130 S157 H158L83-A169 HydrophobicContact CB-CB 4.44Å; L83-A169 HydrophobicContact CD1-CB 4.3Å; L83-A169 HydrophobicContact CD2-CB 4.11Å; L83-A169 HydrophobicContact CG-CB 4.49Å; L87-A169 HydrophobicContact CD1-CB 3.73Å; L87-A169 HydrophobicContact CD2-CB 4.44Å; L87-A169 HydrophobicContact CG-CB 4.34Å; I112-A169 HydrophobicContact CD1-CB 4.25Å; I130-A169 HydrophobicContact CD1-CB 3.45Å; I130-A169 VanDerWaalsContact CD1-CB 3.45Å; S157-A169 VanDerWaalsContact CA-O 3.31Å; S157-A169 WeakPolarHBondContact CA-O 3.42Å; H158-A169 PolarHBondContact N-O 2.88Å; H158-A169 PolarHBondContact O-N 2.8Å
170N97.9Very high94.3Very high6 Ų637.1 Ų37.13%0.03219%0.189CC..EExtended strand (participates in β ladder)trans-125.7131.5174.6-60.2-77.4000109.2V128 L129 S156 S157 Y172V128-N170 WeakPolarHBondContact CA-O 3.3Å; L129-N170 HydrophobicContact CB-CB 4.39Å; L129-N170 PolarHBondContact N-O 3.2Å; L129-N170 PolarHBondContact O-N 3.03Å; S156-N170 WeakPolarHBondContact O-CA 3.43Å; S157-N170 WeakPolarHBondContact CB-OD1 3.2Å; S157-N170 PolarHBondContact OG-OD1 3.47Å; N170-Y172 HydrophobicContact CB-CE2 3.84Å
171V98.1Very high94.1Very high0 Ų038.6 Ų38.60%020%0.197CC..EExtended strand (participates in β ladder)trans-120.1122.4172.2177.70000108.3F74 V79 L83 I112 I126 I127 V128 F155 S156F74-V171 HydrophobicContact CZ-CG1 3.91Å; V79-V171 HydrophobicContact CG1-CB 4.18Å; V79-V171 HydrophobicContact CG1-CG1 4.27Å; V79-V171 HydrophobicContact CG1-CG2 4.32Å; L83-V171 HydrophobicContact CD1-CG2 4.39Å; L83-V171 HydrophobicContact CD2-CG2 3.58Å; L83-V171 HydrophobicContact CG-CG2 4.5Å; I112-V171 HydrophobicContact CG2-CG2 3.67Å; I126-V171 HydrophobicContact CG2-CG1 3.91Å; I127-V171 CarbonylContact O-C 3.57Å; I127-V171 VanDerWaalsContact O-CA 3.31Å; I127-V171 WeakPolarHBondContact O-CA 3.3Å; V128-V171 HydrophobicContact CG1-CG2 4.27Å; V128-V171 HydrophobicContact CG2-CG2 4.14Å; F155-V171 CarbonylContact C-O 3.59Å; F155-V171 WeakPolarHBondContact CA-O 3.18Å; F155-V171 VanDerWaalsContact CB-O 3.3Å; F155-V171 WeakPolarHBondContact CB-O 3.4Å; S156-V171 PolarHBondContact N-O 3.01Å; S156-V171 PolarHBondContact O-N 3.44Å
172Y97.4Very high94Very high26 Ų2632.1 Ų32.110%0.10217%0.171CC..EExtended strand (participates in β ladder)trans-104.5133.8172.2-54.2-92.1000108.8I126 I127 S144 W148 F155 N170I126-Y172 WeakPolarHBondContact CA-O 3.41Å; I127-Y172 HydrophobicContact CB-CD2 4.47Å; I127-Y172 HydrophobicContact CG2-CD2 4.45Å; I127-Y172 PolarHBondContact N-O 3.43Å; I127-Y172 PolarHBondContact O-N 2.93Å; S144-Y172 WeakPolarHBondContact CB-OH 3.3Å; S144-Y172 PolarHBondContact OG-OH 3.41Å; S144-Y172 VanDerWaalsContact OG-OH 3.05Å; W148-Y172 HydrophobicContact CH2-CD1 4.13Å; W148-Y172 AromaticContact CZ3-CD1 3.99Å; W148-Y172 HydrophobicContact CZ3-CD1 3.99Å; F155-Y172 HydrophobicContact CB-CD1 3.65Å; F155-Y172 HydrophobicContact CB-CE1 3.99Å; F155-Y172 HydrophobicContact CB-CG 4.33Å; F155-Y172 HydrophobicContact CG-CD1 4.47Å; F155-Y172 HydrophobicContact CG-CE1 4.4Å; N170-Y172 HydrophobicContact CB-CE2 3.84Å
173A96.6Very high94Very high0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-117.1110.6174.500000107.9F74 Y124 I126 D153 T154F74-A173 HydrophobicContact CB-CB 4.05Å; F74-A173 HydrophobicContact CD1-CB 3.81Å; F74-A173 HydrophobicContact CD2-CB 3.35Å; F74-A173 HydrophobicContact CE1-CB 3.97Å; F74-A173 HydrophobicContact CE2-CB 3.55Å; F74-A173 HydrophobicContact CG-CB 3.45Å; F74-A173 VanDerWaalsContact CG-CB 3.45Å; F74-A173 HydrophobicContact CZ-CB 3.81Å; Y124-A173 HydrophobicContact CD1-CB 3.78Å; Y124-A173 HydrophobicContact CE1-CB 4.28Å; Y124-A173 HydrophobicContact CG-CB 4.49Å; I126-A173 HydrophobicContact CD1-CB 3.99Å; D153-A173 WeakPolarHBondContact CA-O 3.42Å; T154-A173 HydrophobicContact CG2-CB 4.2Å; T154-A173 PolarHBondContact N-O 3.41Å; T154-A173 PolarHBondContact O-N 2.96Å
174V95.4Very high93.9Very high44 Ų4427.4 Ų27.427%0.26713%0.133SC..EExtended strand (participates in β ladder)trans-108.8121.5178.8-178.20000108.2Y124 K125 W148 D153 F176Y124-V174 CarbonylContact C-O 3.57Å; Y124-V174 WeakPolarHBondContact CA-O 3.31Å; K125-V174 PolarHBondContact N-O 3.27Å; K125-V174 PolarHBondContact O-N 2.94Å; W148-V174 HydrophobicContact CE3-CG2 4.32Å; D153-V174 VanDerWaalsContact OD1-CA 3.27Å; D153-V174 WeakPolarHBondContact OD1-CA 3.46Å; V174-F176 PolarHBondContact O-N 2.88Å
175Y93.2Very high93.8Very high34 Ų3427.2 Ų27.213%0.13313%0.127CC..EExtended strand (participates in β ladder)trans-60.9131.5177.6-177.8-113.8000109.6Q67 A69 P70 R123 Y124 N152 D153Q67-Y175 PolarHBondContact O-OH 3.3Å; A69-Y175 VanDerWaalsContact C-OH 3.3Å; A69-Y175 PolarHBondContact O-OH 2.91Å; P70-Y175 HydrophobicContact CB-CD2 3.8Å; P70-Y175 HydrophobicContact CB-CE2 3.6Å; P70-Y175 HydrophobicContact CG-CD2 4.23Å; P70-Y175 HydrophobicContact CG-CE2 4.26Å; R123-Y175 HydrophobicContact CB-CD2 4.11Å; R123-Y175 HydrophobicContact CB-CE2 3.66Å; R123-Y175 PolarHBondContact NH1-OH 3.06Å; R123-Y175 CarbonylContact O-C 3.44Å; R123-Y175 WeakPolarHBondContact O-CA 3.23Å; R123-Y175 WeakPolarHBondContact O-CD2 3.47Å; Y124-Y175 HydrophobicContact CE2-CD2 4.28Å; N152-Y175 HydrophobicContact CB-CD1 4.29Å; N152-Y175 HydrophobicContact CB-CG 4.07Å; D153-Y175 PolarHBondContact OD1-N 3.36Å
176F85.5Confident93.6Very high102 Ų10229.4 Ų29.445%0.44714%0.137SC..  trans-126113.8-176.9178.9-108.8000109.1R123 K125 V174R123-F176 VanDerWaalsContact CB-O 3.23Å; R123-F176 WeakPolarHBondContact CB-O 2.81Å; R123-F176 PolarHBondContact NE-O 2.84Å; R123-F176 PolarHBondContact O-N 3.42Å; K125-F176 HydrophobicContact CD-CB 4.16Å; K125-F176 HydrophobicContact CD-CD2 3.97Å; K125-F176 HydrophobicContact CD-CG 4.11Å; K125-F176 HydrophobicContact CG-CB 3.95Å; K125-F176 HydrophobicContact CG-CG 4.2Å; V174-F176 PolarHBondContact O-N 2.88Å
177E70.6Confident93.4Very high84 Ų8428.3 Ų28.339%0.39313%0.133SC..  trans-64.70171.6-167.1160.5-145.300111N64 F66 Q67 R123N64-E177 PolarHBondContact ND2-O 3.05Å; N64-E177 PolarHBondContact ND2-OXT 3.01Å; N64-E177 PolarHBondContact OD1-OXT 3.04Å; F66-E177 WeakPolarHBondContact CD2-OE1 3.01Å; F66-E177 WeakPolarHBondContact CE2-OE1 3.38Å; F66-E177 WeakPolarHBondContact CE2-OE2 3.4Å; F66-E177 WeakPolarHBondContact CG-OE1 3.06Å; Q67-E177 PolarHBondContact N-OE1 3.49Å; Q67-E177 VanDerWaalsContact N-OE1 3.17Å; R123-E177 PolarHBondContact NE-OXT 3.25Å; R123-E177 VanDerWaalsContact NH2-C 3.34Å; R123-E177 VanDerWaalsContact NH2-CG 3.26Å; R123-E177 PolarHBondContact NH2-OXT 2.7Å

Retrieved 177 of 177 residues in 414.6 ms (Link to these results)