A0A077ZIU8_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 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
1M54.2Low54.7Low232 Ų232159.3 Ų159.3100%1.14387%0.874SS**  0790-59175175.700106.1
2T45.6Very low55.2Low128 Ų128161.8 Ų161.879%0.78587%0.87SS**  43.5113.794.558.60000110.6
3T58.7Low55.1Low143 Ų143163.9 Ų163.988%0.87787%0.871SS**  -161.8156.766.440.70000113.8
4K51.1Low54.8Low200 Ų200161.2 Ų161.287%0.8786%0.864SS**  trans-95.9156.2-178.6-103176.3170.4-1780111.6
5A52.3Low55.2Low98 Ų98163.3 Ų163.381%0.8186%0.862SS**  trans65128.2135.600000120.8
6A58.3Low55.2Low105 Ų105163.1 Ų163.187%0.86886%0.862SS**  179137.695.500000110.5
7D49.1Very low55.5Low163 Ų163161.4 Ų161.487%0.87286%0.859SS**  trans-110.5133.2-179.5-142.1-29.2000107.5
8E67.1Low55.5Low185 Ų185163.4 Ų163.486%0.86486%0.859SS**  trans-109.5129.6175.8-95.8-169.9130.300109.4
9P57.6Low55.4Low132 Ų132165 Ų16586%0.85786%0.861SS**PPolyproline II helixtrans-101.5142.2172.733-24.2000113.7
10V58.8Low55.5Low124 Ų124161.3 Ų161.375%0.75285%0.85SS**PPolyproline II helixtrans-63.6132.3-176.6166.80000113.7K12V10-K12 HydrophobicContact CG1-CG 4.34Å
11R48.8Very low55.5Low242 Ų242161 Ų16191%0.91385%0.849SS**PPolyproline II helixtrans-66.1130.3162.3-84.4177.4168.9165.1-3.5110.9
12K61.5Low55.6Low190 Ų190160.8 Ų160.883%0.82684%0.837SS**  trans-130121.8154.8-75.3-172.4179.81780109.7V10V10-K12 HydrophobicContact CG1-CG 4.34Å
13E53.4Low56.4Low189 Ų189163.3 Ų163.388%0.88384%0.84SS**PPolyproline II helixtrans-66.2128.1178.4-66170.2126.300110.8
14T50.7Low56.2Low126 Ų126163.5 Ų163.577%0.77384%0.835SS**PPolyproline II helixtrans-79.9123.7167.345.90000108.6
15K61.4Low56.6Low193 Ų193158.9 Ų158.984%0.83983%0.829SS**PPolyproline II helixtrans-91.4116.3168.1-75.4-178.2178177.30108.6V17K15-V17 PolarHBondContact O-N 2.68Å
16D54.6Low57.1Low160 Ų160160.4 Ų160.486%0.85682%0.823SS**PPolyproline II helixtrans-55.3119.8167.5-60.4-79.7000110.6
17V60.3Low57.1Low134 Ų134161.1 Ų161.181%0.81281%0.812SS**  trans-112.5116166.3178.30000106.9K15 E19K15-V17 PolarHBondContact O-N 2.68Å; V17-E19 PolarHBondContact O-N 3.3Å
18K55Low57.4Low198 Ų198160 Ų16086%0.86181%0.806SS**  trans-52121.7176.2-82.2172.2170.2173.70111.1S20K18-S20 PolarHBondContact O-N 3.13Å
19E54.4Low56.9Low193 Ų193156.1 Ų156.190%0.90280%0.796SS**  trans-77.9106163.8-161152.6-155.700106.9V17V17-E19 PolarHBondContact O-N 3.3Å
20S56.8Low56.7Low90 Ų90157.4 Ų157.463%0.62979%0.794SS**  trans-88.9123.8171.255.40000108.4K18 Y22K18-S20 PolarHBondContact O-N 3.13Å; S20-Y22 PolarHBondContact O-N 3.29Å; S20-Y22 VanDerWaalsContact O-N 3.15Å
21D55.4Low56.3Low157 Ų157157.3 Ų157.384%0.8480%0.799SS**  trans-42110.2175.9-61.1-57.4000112.5Q23D21-Q23 PolarHBondContact O-N 3.5Å
22Y57.5Low56.4Low227 Ų227149.9 Ų149.989%0.8978%0.784SS**  trans-81.1102.2160.6-91.6-93.3000107.1S20 D24S20-Y22 PolarHBondContact O-N 3.29Å; S20-Y22 VanDerWaalsContact O-N 3.15Å; Y22-D24 PolarHBondContact O-N 3.07Å
23Q60.6Low55.7Low181 Ų181146.3 Ų146.385%0.84678%0.783SS**  trans-71.5104167.3-68.4-178.3-57.200108.1D21 S25D21-Q23 PolarHBondContact O-N 3.5Å; Q23-S25 PolarHBondContact O-N 3.5Å; Q23-S25 VanDerWaalsContact O-N 3.17Å
24D56.1Low55.7Low146 Ų146142.8 Ų142.878%0.78178%0.775SS**  trans-66.9101.3163.5-117.1-11.3000107.7Y22Y22-D24 PolarHBondContact O-N 3.07Å
25S59.9Low55.8Low104 Ų104143.8 Ų143.873%0.72778%0.775SS**  trans-107.784.5165.160.80000107.6Q23 D27Q23-S25 PolarHBondContact O-N 3.5Å; Q23-S25 VanDerWaalsContact O-N 3.17Å; S25-D27 VanDerWaalsContact C-N 3.25Å; S25-D27 PolarHBondContact O-N 2.82Å
26D60.9Low55.5Low129 Ų129141 Ų14169%0.6977%0.77SS**  trans-66.489.9162.2-70.3-43.4000107.7D28D26-D28 PolarHBondContact O-N 2.95Å
27D59.3Low55.8Low120 Ų120137.9 Ų137.964%0.64276%0.761SS**  trans-72.986.9165.4-176.1-100.8000107.6S25 T29S25-D27 VanDerWaalsContact C-N 3.25Å; S25-D27 PolarHBondContact O-N 2.82Å; D27-T29 PolarHBondContact O-N 3.5Å; D27-T29 VanDerWaalsContact OD1-CB 3.29Å; D27-T29 WeakPolarHBondContact OD1-CB 3.27Å; D27-T29 WeakPolarHBondContact OD1-CG2 3.26Å; D27-T29 PolarHBondContact OD1-OG1 3.44Å
28D54.9Low55.7Low139 Ų139140.6 Ų140.674%0.74376%0.764SS**  trans-65.366.7161.5-77.2-49.2000109.3D26 L30D26-D28 PolarHBondContact O-N 2.95Å; D28-L30 PolarHBondContact O-N 3.16Å
29T56.6Low55.7Low105 Ų105141.9 Ų141.964%0.64476%0.764SS**  trans-73.782.4161.734.60000108.4D27 S31D27-T29 PolarHBondContact O-N 3.5Å; D27-T29 VanDerWaalsContact OD1-CB 3.29Å; D27-T29 WeakPolarHBondContact OD1-CB 3.27Å; D27-T29 WeakPolarHBondContact OD1-CG2 3.26Å; D27-T29 PolarHBondContact OD1-OG1 3.44Å; T29-S31 VanDerWaalsContact C-N 3.3Å; T29-S31 PolarHBondContact O-N 3.04Å
30L54.6Low56.1Low158 Ų158135.3 Ų135.383%0.82775%0.748SS**  trans-48.399.6155.9-64.5173.3000107.3D28 S32D28-L30 PolarHBondContact O-N 3.16Å; L30-S32 PolarHBondContact O-N 3.45Å
31S49.7Very low56.6Low123 Ų123136.8 Ų136.886%0.8676%0.755SS**  trans-65.492171.3-163.30000107.1T29 S33T29-S31 VanDerWaalsContact C-N 3.3Å; T29-S31 PolarHBondContact O-N 3.04Å; S31-S33 PolarHBondContact O-N 3.48Å
32S49.7Very low57.2Low86 Ų86134.5 Ų134.560%0.60175%0.749SS**  trans-25.4113.4164.2170.70000110.7L30 T34L30-S32 PolarHBondContact O-N 3.45Å; S32-T34 VanDerWaalsContact C-N 3.3Å; S32-T34 PolarHBondContact O-N 3.37Å
33S48.5Very low57.9Low114 Ų114129.1 Ų129.180%0.79774%0.742SS**  trans-54.696.116451.90000108.1S31S31-S33 PolarHBondContact O-N 3.48Å
34T53Low58.4Low116 Ų116126.5 Ų126.571%0.71274%0.738SS**  trans-79.912116337.90000106.7S32 D36S32-T34 VanDerWaalsContact C-N 3.3Å; S32-T34 PolarHBondContact O-N 3.37Å; T34-D36 PolarHBondContact O-N 2.89Å
35D53.4Low58.6Low146 Ų146126.6 Ų126.678%0.78174%0.738SS**  trans-38.5101.4168.8-102-73.5000111.8S37D35-S37 PolarHBondContact O-N 2.91Å; D35-S37 PolarHBondContact OD1-OG 3.07Å
36D54.3Low58.7Low135 Ų135129.7 Ų129.772%0.72274%0.741SS**  trans-88.845.2172.6-128.8-44.5000109.9T34T34-D36 PolarHBondContact O-N 2.89Å
37S61.4Low58.8Low95 Ų95130.6 Ų130.666%0.66474%0.744SS**  trans-91.65.7-173.8-65.80000114D35D35-S37 PolarHBondContact O-N 2.91Å; D35-S37 PolarHBondContact OD1-OG 3.07Å
38E57.6Low58.7Low190 Ų190131.8 Ų131.889%0.88875%0.746SS**  trans-133.925.4-177.9-63.5-151.5151.300116.4G40E38-G40 PolarHBondContact O-N 2.87Å
39R55.1Low59Low226 Ų226135.4 Ų135.485%0.85376%0.755SS**  trans-79.677.8162.9-107.9169.4-169.8-139.8-0.1110.5
40G61.7Low59Low55 Ų55134.4 Ų134.457%0.56775%0.752SS**PPolyproline II helixtrans-51.4151.1166.200000111.1E38E38-G40 PolarHBondContact O-N 2.87Å
41P67.9Low59.2Low120 Ų120130 Ų13078%0.77974%0.738SS**PPolyproline II helixtrans-54.5142.2-17922.4-31.3000110
42P68Low59.9Low110 Ų110129.7 Ų129.771%0.71473%0.727SS**PPolyproline II helixtrans-53.3142176.823.9-33.4000109.3V44P42-V44 PolarHBondContact O-N 3.33Å
43P72.5Confident60.5Low114 Ų114133.7 Ų133.774%0.7473%0.734SS**PPolyproline II helixtrans-54.3127.1-177.722.5-33000109.6L45P43-L45 PolarHBondContact O-N 3.04Å
44V70.6Confident61.6Low125 Ų125130.7 Ų130.776%0.75872%0.721SS**  trans-65.6106.9172.8177.60000106.6P42 E46P42-V44 PolarHBondContact O-N 3.33Å; V44-E46 VanDerWaalsContact C-N 3.33Å; V44-E46 HydrophobicContact CG1-CG 4.32Å; V44-E46 PolarHBondContact O-N 3.48Å
45L61.5Low62.4Low149 Ų149129.5 Ų129.578%0.7871%0.713SS**  trans-68.197.9166.5-67.9174.9000107.1P43 I47P43-L45 PolarHBondContact O-N 3.04Å; L45-I47 PolarHBondContact O-N 2.92Å
46E61.8Low62.8Low169 Ų169126.6 Ų126.679%0.7970%0.697SS**  trans-67.886.2165.8-67.9-170.4170.400107.9V44 E48V44-E46 VanDerWaalsContact C-N 3.33Å; V44-E46 HydrophobicContact CG1-CG 4.32Å; V44-E46 PolarHBondContact O-N 3.48Å; E46-E48 PolarHBondContact O-N 3.4Å
47I62Low63.5Low147 Ų147127.4 Ų127.475%0.75470%0.695SS**  trans-68.592.3166.8-56.9172.3000105.5L45 K49L45-I47 PolarHBondContact O-N 2.92Å; I47-K49 PolarHBondContact O-N 3.16Å
48E57.5Low63.8Low146 Ų146125.5 Ų125.568%0.68268%0.682SS**  trans-51.2124.5170.6-66.8-167167.400108.4E46 S50E46-E48 PolarHBondContact O-N 3.4Å; E48-S50 WeakPolarHBondContact CB-OG 3.23Å; E48-S50 PolarHBondContact O-N 2.87Å; E48-S50 PolarHBondContact OE2-OG 3.12Å
49K61.5Low64.3Low215 Ų215119.2 Ų119.294%0.93566%0.662SS**THydrogen-bonded Turntrans-72.236.4179.5-66.4176.6178.2172.90112.2I47I47-K49 PolarHBondContact O-N 3.16Å
50S56.6Low64.5Low83 Ų83115.8 Ų115.858%0.5865%0.653SS**THydrogen-bonded Turntrans-116.72.9-168.156.50000114.6E48E48-S50 WeakPolarHBondContact CB-OG 3.23Å; E48-S50 PolarHBondContact O-N 2.87Å; E48-S50 PolarHBondContact OE2-OG 3.12Å
51A60Low64.6Low66 Ų66117.2 Ų117.255%0.54565%0.651SS.*SBendtrans-94.498.3165.700000110F53 L56A51-F53 PolarHBondContact O-N 3.11Å; A51-F53 VanDerWaalsContact O-N 3.16Å; A51-L56 HydrophobicContact CB-CD1 4.4Å
52D63.2Low64.2Low117 Ų117114.8 Ų114.863%0.62664%0.637SS**  trans-52.8121.6173.7-73.6-37.6000110.1G54 T55 L56D52-G54 PolarHBondContact O-N 3.08Å; D52-T55 PolarHBondContact O-N 3.35Å; D52-L56 PolarHBondContact O-N 2.97Å
53F63.5Low63.7Low170 Ų170113.8 Ų113.875%0.74663%0.626SS**Hα-helixtrans-51.9-21.2174.2-103.4-93.1000112.6A51 K57A51-F53 PolarHBondContact O-N 3.11Å; A51-F53 VanDerWaalsContact O-N 3.16Å; F53-K57 PolarHBondContact O-N 3.33Å
54G69.8Low62.7Low51 Ų51113.4 Ų113.453%0.52662%0.617SS.*Hα-helixtrans-67.2-42.6172.300000113.5D52 K57 S58D52-G54 PolarHBondContact O-N 3.08Å; G54-K57 PolarHBondContact O-N 2.87Å; G54-S58 PolarHBondContact O-N 3.46Å; G54-S58 PolarHBondContact O-OG 2.95Å
55T70.2Confident62Low90 Ų90115.1 Ų115.155%0.55262%0.617SS**Hα-helixtrans-71.7-37.2-177.4-42.20000111.5D52 S58 A59D52-T55 PolarHBondContact O-N 3.35Å; T55-S58 WeakPolarHBondContact CA-OG 3.5Å; T55-S58 PolarHBondContact O-N 3.42Å; T55-S58 PolarHBondContact O-OG 3.45Å; T55-A59 WeakPolarHBondContact O-CB 3.22Å; T55-A59 PolarHBondContact O-N 3.2Å
56L63.1Low61.7Low85 Ų85115.8 Ų115.845%0.44562%0.616SS.*Hα-helixtrans-65.8-44.1173.1-75.7165.1000111.4A51 D52 S58 A59 F60A51-L56 HydrophobicContact CB-CD1 4.4Å; D52-L56 PolarHBondContact O-N 2.97Å; L56-S58 VanDerWaalsContact C-N 3.34Å; L56-S58 PolarHBondContact O-N 3.45Å; L56-A59 PolarHBondContact O-N 2.96Å; L56-F60 WeakPolarHBondContact O-CD2 3.47Å; L56-F60 PolarHBondContact O-N 3.24Å
57K68.1Low61.3Low152 Ų152114.5 Ų114.566%0.66161%0.61SS**Hα-helixtrans-58.3-45173.7-85.1179.6177.4178.60111.8F53 G54 A59 F60 T61F53-K57 PolarHBondContact O-N 3.33Å; G54-K57 PolarHBondContact O-N 2.87Å; K57-A59 VanDerWaalsContact C-N 3.33Å; K57-A59 PolarHBondContact O-N 2.83Å; K57-F60 PolarHBondContact O-N 3.4Å; K57-T61 WeakPolarHBondContact O-CG2 3.27Å; K57-T61 PolarHBondContact O-N 3.47Å; K57-T61 PolarHBondContact O-OG1 3Å; K57-T61 VanDerWaalsContact O-OG1 3.11Å
58S67.9Low60.7Low56 Ų56114 Ų11439%0.39261%0.605SS.*Hα-helixtrans-66.7-32.7177.755.50000113.3G54 T55 L56 T61 S62G54-S58 PolarHBondContact O-N 3.46Å; G54-S58 PolarHBondContact O-OG 2.95Å; T55-S58 WeakPolarHBondContact CA-OG 3.5Å; T55-S58 PolarHBondContact O-N 3.42Å; T55-S58 PolarHBondContact O-OG 3.45Å; L56-S58 VanDerWaalsContact C-N 3.34Å; L56-S58 PolarHBondContact O-N 3.45Å; S58-T61 WeakPolarHBondContact CA-OG1 3.48Å; S58-T61 PolarHBondContact O-OG1 2.61Å; S58-S62 VanDerWaalsContact O-CB 3.22Å; S58-S62 WeakPolarHBondContact O-CB 3.41Å; S58-S62 PolarHBondContact O-N 3.22Å; S58-S62 PolarHBondContact O-OG 3.11Å
59A68.4Low60.3Low57 Ų57116.4 Ų116.447%0.47161%0.613SS.*Hα-helixtrans-69.4-39176.500000112.2T55 L56 K57 N63T55-A59 WeakPolarHBondContact O-CB 3.22Å; T55-A59 PolarHBondContact O-N 3.2Å; L56-A59 PolarHBondContact O-N 2.96Å; K57-A59 VanDerWaalsContact C-N 3.33Å; K57-A59 PolarHBondContact O-N 2.83Å; A59-N63 PolarHBondContact O-N 3.42Å
60F58.7Low59.7Low154 Ų154115.2 Ų115.268%0.67561%0.611SS**Hα-helixtrans-69-38.1174.4-76.7-70.6000112.3L56 K57L56-F60 WeakPolarHBondContact O-CD2 3.47Å; L56-F60 PolarHBondContact O-N 3.24Å; K57-F60 PolarHBondContact O-N 3.4Å
61T64.7Low59.3Low86 Ų86121.3 Ų121.353%0.52862%0.621SS.*Hα-helixtrans-78.6-20.9179.557.70000114.2K57 S58K57-T61 WeakPolarHBondContact O-CG2 3.27Å; K57-T61 PolarHBondContact O-N 3.47Å; K57-T61 PolarHBondContact O-OG1 3Å; K57-T61 VanDerWaalsContact O-OG1 3.11Å; S58-T61 WeakPolarHBondContact CA-OG1 3.48Å; S58-T61 PolarHBondContact O-OG1 2.61Å
62S59.4Low58.5Low69 Ų69122.6 Ų122.648%0.48362%0.622SS.*Hα-helixtrans-88.4-25.2-178.9-54.10000113S58S58-S62 VanDerWaalsContact O-CB 3.22Å; S58-S62 WeakPolarHBondContact O-CB 3.41Å; S58-S62 PolarHBondContact O-N 3.22Å; S58-S62 PolarHBondContact O-OG 3.11Å
63N56.3Low57.9Low88 Ų88123.1 Ų123.147%0.47163%0.63SS.*Hα-helixtrans-82.1-22.8178.9-146.3-3.9000112.5A59 Q65 Q66 Q67A59-N63 PolarHBondContact O-N 3.42Å; N63-Q65 VanDerWaalsContact C-N 3.27Å; N63-Q65 PolarHBondContact O-N 3.39Å; N63-Q66 PolarHBondContact O-N 3.04Å; N63-Q67 PolarHBondContact O-N 3.37Å; N63-Q67 PolarHBondContact OD1-NE2 3.41Å; N63-Q67 VanDerWaalsContact OD1-NE2 3.08Å
64D52.9Low57.4Low106 Ų106118.3 Ų118.357%0.56762%0.621SS**THydrogen-bonded Turntrans-69.3-22172.2-93.3-32.7000113.3Q68D64-Q68 WeakPolarHBondContact O-CG 3.44Å
65Q55.6Low56.6Low162 Ų162121 Ų12176%0.75762%0.624SS**THydrogen-bonded Turntrans-90-15.6178.9-64.6-173.313.400113.6N63N63-Q65 VanDerWaalsContact C-N 3.27Å; N63-Q65 PolarHBondContact O-N 3.39Å
66Q55.1Low56Low162 Ų162123.4 Ų123.476%0.75763%0.627SS**THydrogen-bonded Turntrans-102.7-16.6-179.2-71.9-177-4.500114N63N63-Q66 PolarHBondContact O-N 3.04Å
67Q51.8Low55.6Low143 Ų143126.2 Ų126.267%0.66864%0.638SS**SBendtrans-95.61176.2-66.7-175.831.700114.7N63N63-Q67 PolarHBondContact O-N 3.37Å; N63-Q67 PolarHBondContact OD1-NE2 3.41Å; N63-Q67 VanDerWaalsContact OD1-NE2 3.08Å
68Q49.5Very low54.8Low137 Ų137124.2 Ų124.264%0.6463%0.632SS**SBendtrans-98.56.5180-68.5-171.81200114.9D64D64-Q68 WeakPolarHBondContact O-CG 3.44Å
69K49.1Very low54.1Low195 Ų195127.8 Ų127.885%0.84865%0.645SS**SBendtrans-102.23.4-173.7-129.1175-176.6179.40116.9
70E49.3Very low53.4Low190 Ų190129.4 Ų129.489%0.88865%0.649SS**SBendtrans-136.614.3-179.2-72.1-172.9159.300115.9
71R48.5Very low53.1Low211 Ų211129.2 Ų129.280%0.79665%0.65SS**SBendtrans-109.593.4168.7-81.2-178.3176.7-137.31.3110.6T73R71-T73 PolarHBondContact O-N 3.08Å
72T43.7Very low52.7Low93 Ų93134.7 Ų134.757%0.57166%0.661SS**  trans16.8100.5157.9520000115.1A74T72-A74 PolarHBondContact O-N 3.09Å
73T49.7Very low52.4Low129 Ų129137.4 Ų137.479%0.79167%0.67SS**THydrogen-bonded Turntrans-6314.917137.90000114.6R71R71-T73 PolarHBondContact O-N 3.08Å
74A53.2Low52.2Low68 Ų68134.2 Ų134.256%0.56266%0.657SS**THydrogen-bonded Turntrans-103-25.8179.100000113.9T72T72-A74 PolarHBondContact O-N 3.09Å
75D53.4Low52.8Low108 Ų108135.5 Ų135.558%0.57866%0.658SS**THydrogen-bonded Turntrans-91-18.6-173.4-71.7-37.4000114.2
76K57Low53.3Low141 Ų141134.5 Ų134.561%0.61365%0.653SS**THydrogen-bonded Turntrans-83.7-19.6177-68.3179.4179.8174.60113
77E55.3Low53.7Low144 Ų144131.5 Ų131.567%0.67364%0.642SS**THydrogen-bonded Turntrans-86.4-21.3179.5-65.5-172.3159.300112.5
78M51.3Low54.2Low110 Ų110130 Ų13054%0.54264%0.638SS.*SBendtrans-85-10.6-177.7-148.8-179.862.700114.9
79I52.8Low55.2Low131 Ų131127.8 Ų127.867%0.67263%0.634SS**SBendtrans-95.9-21.5177.9-60.8175.8000111.8
80V54.2Low56.2Low91 Ų91122.9 Ų122.955%0.55262%0.617SS**SBendtrans-85.4-9.7-179.3-176.50000112.6
81E53.3Low57.2Low149 Ų149119.2 Ų119.270%0.69660%0.602SS**SBendtrans-91.7-14.1174.2-74.4-166.5147.600114.8
82R56.4Low58.3Low201 Ų201112.5 Ų112.576%0.75859%0.585SS**SBendtrans-91.8-11-179.4-69.6-171.5-155.6-174.65.2115.2
83L51.7Low59.6Low127 Ų127110.4 Ų110.467%0.66557%0.574SS**SBendtrans-10894.4165.5-67.1172.8000105.6K85L83-K85 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact O-N 3.16Å
84G53.2Low60.6Low20 Ų20108 Ų10821%0.20656%0.559CS.*  trans-41.8123.5-174.800000110.6E86 N87G84-E86 PolarHBondContact O-N 3.13Å; G84-N87 PolarHBondContact O-N 3.07Å
85K65.1Low61.2Low134 Ų134111.2 Ų111.258%0.58356%0.561SS**Hα-helixtrans-51.8-24.8180-66.2168.5-178.1167.70111.5L83 N87 L88 V89L83-K85 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact O-N 3.16Å; K85-N87 PolarHBondContact O-N 2.86Å; K85-L88 PolarHBondContact O-N 3.23Å; K85-V89 VanDerWaalsContact O-CG2 3.26Å; K85-V89 WeakPolarHBondContact O-CG2 3.5Å; K85-V89 PolarHBondContact O-N 3.39Å; K85-V89 VanDerWaalsContact O-N 3.08Å
86E66.7Low62Low140 Ų140112.4 Ų112.465%0.65456%0.563SS**Hα-helixtrans-57.7-38.1170.262.2-147.6169.600114.9G84 N90G84-E86 PolarHBondContact O-N 3.13Å; E86-N90 WeakPolarHBondContact O-CB 3.28Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 2.92Å; E86-N90 PolarHBondContact O-OD1 3.23Å
87N63.6Low62.5Low99 Ų99109.8 Ų109.853%0.52956%0.562SS.*Hα-helixtrans-74.8-36.2178.4-76.3-29000112.5G84 K85 I91G84-N87 PolarHBondContact O-N 3.07Å; K85-N87 PolarHBondContact O-N 2.86Å; N87-I91 WeakPolarHBondContact O-CD1 3.35Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.45Å; N87-I91 PolarHBondContact O-N 3.45Å; N87-I91 VanDerWaalsContact O-N 3.11Å
88L60.7Low62.9Low113 Ų113110.6 Ų110.659%0.59257%0.568SS**Hα-helixtrans-69.4-42176.1-119.596.4000111.6K85 N90 I91 T92K85-L88 PolarHBondContact O-N 3.23Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.02Å; L88-I91 PolarHBondContact O-N 3.02Å; L88-T92 WeakPolarHBondContact O-CG2 3.39Å; L88-T92 PolarHBondContact O-N 3.37Å; L88-T92 PolarHBondContact O-OG1 3.44Å
89V71.8Confident63.5Low90 Ų90113 Ų11355%0.54558%0.576SS.*Hα-helixtrans-66.7-35.61781750000111.4K85 T92 S93K85-V89 VanDerWaalsContact O-CG2 3.26Å; K85-V89 WeakPolarHBondContact O-CG2 3.5Å; K85-V89 PolarHBondContact O-N 3.39Å; K85-V89 VanDerWaalsContact O-N 3.08Å; V89-T92 WeakPolarHBondContact CA-OG1 3.43Å; V89-T92 PolarHBondContact O-OG1 3.34Å; V89-T92 VanDerWaalsContact O-OG1 3.12Å; V89-S93 VanDerWaalsContact O-CB 3.27Å; V89-S93 WeakPolarHBondContact O-CB 3.37Å; V89-S93 PolarHBondContact O-N 2.8Å; V89-S93 PolarHBondContact O-OG 3.38Å
90N69.6Low63.4Low91 Ų91111.6 Ų111.649%0.48757%0.573SS.*Hα-helixtrans-65.6-44.6173.5-73.3-11.5000111.7E86 L88 S93 T94E86-N90 WeakPolarHBondContact O-CB 3.28Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 2.92Å; E86-N90 PolarHBondContact O-OD1 3.23Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.02Å; N90-S93 PolarHBondContact O-N 3.29Å; N90-S93 PolarHBondContact O-OG 3.27Å; N90-S93 VanDerWaalsContact O-OG 3.13Å; N90-T94 VanDerWaalsContact O-CG2 3.27Å; N90-T94 WeakPolarHBondContact O-CG2 3.44Å; N90-T94 PolarHBondContact O-N 3.1Å; N90-T94 PolarHBondContact O-OG1 2.98Å; N90-T94 VanDerWaalsContact O-OG1 3.07Å
91I69.4Low63.4Low114 Ų114117 Ų11759%0.58559%0.589SS**Hα-helixtrans-63.3-43.9176.9-66.1165000111.1N87 L88 T94 F95N87-I91 WeakPolarHBondContact O-CD1 3.35Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.45Å; N87-I91 PolarHBondContact O-N 3.45Å; N87-I91 VanDerWaalsContact O-N 3.11Å; L88-I91 PolarHBondContact O-N 3.02Å; I91-T94 WeakPolarHBondContact CA-OG1 3.17Å; I91-T94 PolarHBondContact O-N 3.19Å; I91-T94 PolarHBondContact O-OG1 3.41Å; I91-F95 WeakPolarHBondContact O-CB 3.41Å; I91-F95 PolarHBondContact O-N 3.45Å
92T72.1Confident63.4Low70 Ų70118.4 Ų118.443%0.42960%0.595SS.*Hα-helixtrans-68.4-39178.155.70000112.2L88 V89 F95 E96L88-T92 WeakPolarHBondContact O-CG2 3.39Å; L88-T92 PolarHBondContact O-N 3.37Å; L88-T92 PolarHBondContact O-OG1 3.44Å; V89-T92 WeakPolarHBondContact CA-OG1 3.43Å; V89-T92 PolarHBondContact O-OG1 3.34Å; V89-T92 VanDerWaalsContact O-OG1 3.12Å; T92-F95 PolarHBondContact O-N 3.13Å; T92-E96 WeakPolarHBondContact O-CB 3.1Å; T92-E96 WeakPolarHBondContact O-CG 3.43Å; T92-E96 PolarHBondContact O-N 3.2Å
93S71Confident63Low48 Ų48118.3 Ų118.334%0.33660%0.604SS.*Hα-helixtrans-68.5-35.5177.479.20000112.5V89 N90 S97V89-S93 VanDerWaalsContact O-CB 3.27Å; V89-S93 WeakPolarHBondContact O-CB 3.37Å; V89-S93 PolarHBondContact O-N 2.8Å; V89-S93 PolarHBondContact O-OG 3.38Å; N90-S93 PolarHBondContact O-N 3.29Å; N90-S93 PolarHBondContact O-OG 3.27Å; N90-S93 VanDerWaalsContact O-OG 3.13Å; S93-S97 VanDerWaalsContact O-CB 3.23Å; S93-S97 WeakPolarHBondContact O-CB 3.37Å; S93-S97 PolarHBondContact O-N 3.46Å; S93-S97 PolarHBondContact O-OG 2.93Å
94T71.7Confident63Low79 Ų79119.7 Ų119.749%0.48561%0.61SS.*Hα-helixtrans-67.1-40.8173.555.90000111.2N90 I91 S97 M98N90-T94 VanDerWaalsContact O-CG2 3.27Å; N90-T94 WeakPolarHBondContact O-CG2 3.44Å; N90-T94 PolarHBondContact O-N 3.1Å; N90-T94 PolarHBondContact O-OG1 2.98Å; N90-T94 VanDerWaalsContact O-OG1 3.07Å; I91-T94 WeakPolarHBondContact CA-OG1 3.17Å; I91-T94 PolarHBondContact O-N 3.19Å; I91-T94 PolarHBondContact O-OG1 3.41Å; T94-S97 PolarHBondContact O-N 3.4Å; T94-M98 VanDerWaalsContact O-CG 3.22Å; T94-M98 WeakPolarHBondContact O-CG 3.22Å; T94-M98 PolarHBondContact O-N 3.5Å
95F65.9Low62.7Low135 Ų135124.2 Ų124.259%0.59264%0.636SS**Hα-helixtrans-65.9-39.6175.7-173.5-102.6000112.9I91 T92 M98 K99I91-F95 WeakPolarHBondContact O-CB 3.41Å; I91-F95 PolarHBondContact O-N 3.45Å; T92-F95 PolarHBondContact O-N 3.13Å; F95-M98 PolarHBondContact O-N 3.02Å; F95-K99 PolarHBondContact O-N 3.02Å
96E70.1Confident62.1Low133 Ų133126 Ų12662%0.62165%0.646SS**Hα-helixtrans-70.7-34.4175.8-73.8179.4168.400112.4T92 M98 K99T92-E96 WeakPolarHBondContact O-CB 3.1Å; T92-E96 WeakPolarHBondContact O-CG 3.43Å; T92-E96 PolarHBondContact O-N 3.2Å; E96-M98 VanDerWaalsContact C-N 3.32Å; E96-M98 PolarHBondContact O-N 3.16Å; E96-K99 PolarHBondContact O-N 3.15Å
97S66Low61.3Low86 Ų86127.9 Ų127.960%0.60165%0.652SS**Hα-helixtrans-70.4-26.9175.6-58.60000112.9S93 T94S93-S97 VanDerWaalsContact O-CB 3.23Å; S93-S97 WeakPolarHBondContact O-CB 3.37Å; S93-S97 PolarHBondContact O-N 3.46Å; S93-S97 PolarHBondContact O-OG 2.93Å; T94-S97 PolarHBondContact O-N 3.4Å
98M63.4Low60.3Low162 Ų162129 Ų12980%0.79867%0.668SS**Hα-helixtrans-81.3-14.8173.9-67.7175.8110.500113.2T94 F95 E96T94-M98 VanDerWaalsContact O-CG 3.22Å; T94-M98 WeakPolarHBondContact O-CG 3.22Å; T94-M98 PolarHBondContact O-N 3.5Å; F95-M98 PolarHBondContact O-N 3.02Å; E96-M98 VanDerWaalsContact C-N 3.32Å; E96-M98 PolarHBondContact O-N 3.16Å
99K64.2Low59.9Low161 Ų161132 Ų13270%0.768%0.679SS**SBendtrans-89.5-7.6-176.4-163.5167.6-178.4176.70113.7F95 E96F95-K99 PolarHBondContact O-N 3.02Å; E96-K99 PolarHBondContact O-N 3.15Å
100T51.9Low59.1Low100 Ų100139.5 Ų139.561%0.61370%0.697SS**SBendtrans-117.6116.1-179.857.90000110
101K53.5Low58.4Low204 Ų204141 Ų14189%0.88771%0.71SS**SBendtrans87.563.6179.5-52.3172-179.1175.10115.9
102E53.9Low57.9Low179 Ų179141.1 Ų141.184%0.83672%0.718SS**  trans-154.8114.1133.3-109.9172.9-165.300107.4I104E102-I104 PolarHBondContact O-N 3.38Å
103E47.6Very low57.1Low200 Ų200144.8 Ų144.894%0.93574%0.735SS**  trans-64.794.9178.7-66.5174.8161.900108.8
104I51.9Low56.7Low155 Ų155146.4 Ų146.480%0.79574%0.742SS**PPolyproline II helixtrans-72.3120.9169.5-59.4172.7000107E102E102-I104 PolarHBondContact O-N 3.38Å
105P45.9Very low56.2Low116 Ų116148 Ų14875%0.75375%0.752SS**PPolyproline II helixtrans-64.1139-17425.3-32.4000111.3
106E54.2Low55.9Low171 Ų171146.6 Ų146.680%0.79975%0.754SS**SBendtrans-49.2134.6177.2-77.6-177.2110.100113.3S108E106-S108 PolarHBondContact O-N 2.87Å
107K49Very low55.4Low180 Ų180143.5 Ų143.578%0.78374%0.742SS**  trans39.779.8146.7-65.5170.5-178.5163.60115.7E109K107-E109 PolarHBondContact O-N 3.35Å
108S43.1Very low55.6Low122 Ų122149.2 Ų149.285%0.85375%0.75SS**  trans-73.6100.4158.563.20000109.1E106E106-S108 PolarHBondContact O-N 2.87Å
109E52.5Low56.2Low176 Ų176147.5 Ų147.582%0.82274%0.74SS**  trans-49.7138.7170-65176.1153.700111.1K107 T111K107-E109 PolarHBondContact O-N 3.35Å; E109-T111 PolarHBondContact O-N 3.24Å
110R53.2Low56.9Low247 Ų247147.1 Ų147.193%0.93273%0.734SS**  trans-50.1110.2176.1-173.7177.1-172.8159.30.7109.6P112R110-P112 WeakPolarHBondContact O-CD 3.28Å
111T56.6Low58.1Low123 Ų123150.3 Ų150.376%0.75574%0.736SS**PPolyproline II helixtrans-53.3119.3179.245.90000110.3E109E109-T111 PolarHBondContact O-N 3.24Å
112P57.6Low59.4Low116 Ų116143.4 Ų143.475%0.75371%0.714SS**PPolyproline II helixtrans-64.8137.5175.724.6-30.3000109.7R110 T114R110-P112 WeakPolarHBondContact O-CD 3.28Å; P112-T114 PolarHBondContact O-N 3.42Å
113L55.8Low60.8Low148 Ų148140.1 Ų140.178%0.77570%0.698SS**PPolyproline II helixtrans-47.3124.5178.4-10472.9000109.9D117L113-D117 HydrophobicContact CB-CB 4.32Å; L113-D117 HydrophobicContact CD2-CB 3.84Å; L113-D117 HydrophobicContact CG-CB 4Å
114T62.7Low62.6Low81 Ų81137.1 Ų137.150%0.49768%0.679SS.*PPolyproline II helixtrans-67.1155-178.665.80000109.8P112 V116 D117P112-T114 PolarHBondContact O-N 3.42Å; T114-V116 PolarHBondContact O-N 3.05Å; T114-D117 PolarHBondContact N-OD2 2.96Å; T114-D117 WeakPolarHBondContact O-CB 3.22Å; T114-D117 PolarHBondContact O-N 3.05Å; T114-D117 PolarHBondContact OG1-OD2 3.46Å; T114-D117 VanDerWaalsContact OG1-OD2 3.08Å
115V60.7Low64.2Low114 Ų114135.1 Ų135.169%0.69167%0.665SS**Hα-helixtrans-52.6-25.9177.71770000112.2D117 R118V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 3.34Å; V115-R118 PolarHBondContact O-N 3Å
116V59.2Low66.1Low105 Ų105135 Ų13564%0.63665%0.654SS**Hα-helixtrans-68.6-26178.1-172.40000112.8T114T114-V116 PolarHBondContact O-N 3.05Å
117D60.3Low67.6Low67 Ų67133.2 Ų133.236%0.35864%0.644SS.*Hα-helixtrans-80.2-25.7177.7-64.3-51.9000112.7L113 T114 V115 Y121L113-D117 HydrophobicContact CB-CB 4.32Å; L113-D117 HydrophobicContact CD2-CB 3.84Å; L113-D117 HydrophobicContact CG-CB 4Å; T114-D117 PolarHBondContact N-OD2 2.96Å; T114-D117 WeakPolarHBondContact O-CB 3.22Å; T114-D117 PolarHBondContact O-N 3.05Å; T114-D117 PolarHBondContact OG1-OD2 3.46Å; T114-D117 VanDerWaalsContact OG1-OD2 3.08Å; V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 3.34Å; D117-Y121 VanDerWaalsContact O-CB 3.28Å; D117-Y121 WeakPolarHBondContact O-CB 3.43Å; D117-Y121 PolarHBondContact O-N 2.8Å
118R70.6Confident69.4Low207 Ų207132.4 Ų132.478%0.78164%0.64SS**Hα-helixtrans-73.1-40.9-179.3-170.9176.5169.5174.6-3.7112.2V115 S122V115-R118 PolarHBondContact O-N 3Å; R118-S122 PolarHBondContact O-N 2.88Å
119E75.6Confident71.5Confident126 Ų126132 Ų13259%0.58963%0.625SS**Hα-helixtrans-67.6-43.4176.4-69.2175.4177.500111.2Y121 S122 Q123E119-Y121 VanDerWaalsContact C-N 3.34Å; E119-Y121 PolarHBondContact O-N 3.21Å; E119-S122 PolarHBondContact O-N 2.88Å; E119-Q123 WeakPolarHBondContact O-CG 3.46Å; E119-Q123 PolarHBondContact O-N 3.44Å
120R79.1Confident73.2Confident152 Ų152127.9 Ų127.957%0.57461%0.606SS**Hα-helixtrans-61.4-43.6176.6-165.1172.2-171.1-176.61111Q123 Y124R120-Q123 PolarHBondContact O-N 3.45Å; R120-Y124 HydrophobicContact CG-CD2 3.94Å; R120-Y124 HydrophobicContact CG-CE2 3.65Å; R120-Y124 WeakPolarHBondContact O-CD2 3.26Å; R120-Y124 PolarHBondContact O-N 3.46Å; R120-Y124 VanDerWaalsContact O-N 3.09Å
121Y76.7Confident74.9Confident168 Ų168120.7 Ų120.766%0.65959%0.585SS**Hα-helixtrans-61.7-42.2174.9-173.8-97.8000112.4D117 E119 Q123 Y124 K125D117-Y121 VanDerWaalsContact O-CB 3.28Å; D117-Y121 WeakPolarHBondContact O-CB 3.43Å; D117-Y121 PolarHBondContact O-N 2.8Å; E119-Y121 VanDerWaalsContact C-N 3.34Å; E119-Y121 PolarHBondContact O-N 3.21Å; Y121-Q123 PolarHBondContact O-N 2.81Å; Y121-Y124 PolarHBondContact O-N 3.07Å; Y121-K125 WeakPolarHBondContact O-CB 3.13Å; Y121-K125 PolarHBondContact O-N 3.28Å
122S81.9Confident76.3Confident59 Ų59122.3 Ų122.341%0.41358%0.584SS.*Hα-helixtrans-61.9-41.7176.1-167.50000112.8R118 E119 K125 Q126R118-S122 PolarHBondContact O-N 2.88Å; E119-S122 PolarHBondContact O-N 2.88Å; S122-K125 PolarHBondContact O-N 3.19Å; S122-Q126 WeakPolarHBondContact O-CG 3.23Å; S122-Q126 PolarHBondContact O-N 2.82Å
123Q83Confident77.7Confident109 Ų109122.6 Ų122.651%0.50958%0.575SS.*Hα-helixtrans-65.1-42.6177-70.2-18022.100112.6E119 R120 Y121 K127E119-Q123 WeakPolarHBondContact O-CG 3.46Å; E119-Q123 PolarHBondContact O-N 3.44Å; R120-Q123 PolarHBondContact O-N 3.45Å; Y121-Q123 PolarHBondContact O-N 2.81Å; Q123-K127 WeakPolarHBondContact O-CG 3.38Å; Q123-K127 PolarHBondContact O-N 2.84Å; Q123-K127 VanDerWaalsContact O-N 3.11Å
124Y84.2Confident79.2Confident138 Ų138118.8 Ų118.854%0.54156%0.558SS.*Hα-helixtrans-66.8-38.9176.5-80.6-69.9000111.9R120 Y121 K127 F128R120-Y124 HydrophobicContact CG-CD2 3.94Å; R120-Y124 HydrophobicContact CG-CE2 3.65Å; R120-Y124 WeakPolarHBondContact O-CD2 3.26Å; R120-Y124 PolarHBondContact O-N 3.46Å; R120-Y124 VanDerWaalsContact O-N 3.09Å; Y121-Y124 PolarHBondContact O-N 3.07Å; Y124-K127 PolarHBondContact O-N 3.48Å; Y124-F128 WeakPolarHBondContact O-CB 3.46Å; Y124-F128 PolarHBondContact O-N 3.18Å
125K85.4Confident80.2Confident113 Ų113120.6 Ų120.649%0.49156%0.563SS.*Hα-helixtrans-62.5-47.6177-166.8-176.4-179.8-151.40111.9Y121 S122 K127 F128 E129Y121-K125 WeakPolarHBondContact O-CB 3.13Å; Y121-K125 PolarHBondContact O-N 3.28Å; S122-K125 PolarHBondContact O-N 3.19Å; K125-K127 PolarHBondContact O-N 3.04Å; K125-F128 PolarHBondContact O-N 2.84Å; K125-E129 VanDerWaalsContact CE-OE1 3.23Å; K125-E129 WeakPolarHBondContact CE-OE1 3.36Å; K125-E129 IonicContact NZ-OE1 3.61Å; K125-E129 PolarHBondContact O-N 2.92Å
126Q87Confident81.4Confident112 Ų112121 Ų12152%0.52356%0.557SS.*Hα-helixtrans-61-42.4176.2-75.8179.6-13.900112.3S122 F128 E129 H130S122-Q126 WeakPolarHBondContact O-CG 3.23Å; S122-Q126 PolarHBondContact O-N 2.82Å; Q126-F128 VanDerWaalsContact C-N 3.27Å; Q126-F128 PolarHBondContact O-N 3.37Å; Q126-E129 PolarHBondContact O-N 3.08Å; Q126-H130 PolarHBondContact O-N 3.3Å; Q126-H130 VanDerWaalsContact O-N 3.11Å; Q126-H130 PolarHBondContact O-ND1 3.06Å
127K84.9Confident82.6Confident135 Ų135123 Ų12359%0.58756%0.557SS**Hα-helixtrans-62-35.9176.1-74.5175.9-177.8176.20112.6Q123 Y124 K125 I131Q123-K127 WeakPolarHBondContact O-CG 3.38Å; Q123-K127 PolarHBondContact O-N 2.84Å; Q123-K127 VanDerWaalsContact O-N 3.11Å; Y124-K127 PolarHBondContact O-N 3.48Å; K125-K127 PolarHBondContact O-N 3.04Å; K127-I131 PolarHBondContact O-N 2.81Å
128F87.8Confident83.7Confident162 Ų162127.6 Ų127.671%0.71157%0.569SS**Hα-helixtrans-71.2-41.9177.8-168-93.9000111.7Y124 K125 Q126 H130 I131Y124-F128 WeakPolarHBondContact O-CB 3.46Å; Y124-F128 PolarHBondContact O-N 3.18Å; K125-F128 PolarHBondContact O-N 2.84Å; Q126-F128 VanDerWaalsContact C-N 3.27Å; Q126-F128 PolarHBondContact O-N 3.37Å; F128-H130 VanDerWaalsContact C-N 3.34Å; F128-H130 PolarHBondContact O-N 3.15Å; F128-I131 VanDerWaalsContact O-CG2 3.26Å; F128-I131 WeakPolarHBondContact O-CG2 3.43Å; F128-I131 PolarHBondContact O-N 3.29Å
129E87.7Confident84.1Confident114 Ų114126.6 Ų126.653%0.53357%0.565SS.*Hα-helixtrans-62.6-37.4176.7-73.5172-179.700112.3K125 Q126K125-E129 VanDerWaalsContact CE-OE1 3.23Å; K125-E129 WeakPolarHBondContact CE-OE1 3.36Å; K125-E129 IonicContact NZ-OE1 3.61Å; K125-E129 PolarHBondContact O-N 2.92Å; Q126-E129 PolarHBondContact O-N 3.08Å
130H88.2Confident83.9Confident90 Ų90125.3 Ų125.342%0.41756%0.561SS.*THydrogen-bonded Turntrans-92.78.5-177.7-60.677.8000114.4Q126 F128 Q132 E133 T134Q126-H130 PolarHBondContact O-N 3.3Å; Q126-H130 VanDerWaalsContact O-N 3.11Å; Q126-H130 PolarHBondContact O-ND1 3.06Å; F128-H130 VanDerWaalsContact C-N 3.34Å; F128-H130 PolarHBondContact O-N 3.15Å; H130-Q132 PolarHBondContact O-N 3.38Å; H130-E133 IonicContact CD2-OE2 2.79Å; H130-E133 PolarHBondContact CD2-OE2 2.89Å; H130-T134 WeakPolarHBondContact O-CB 3.16Å; H130-T134 PolarHBondContact O-N 3.49Å; H130-T134 PolarHBondContact O-OG1 3.19Å
131I88.1Confident83.3Confident95 Ų95122 Ų12249%0.48756%0.56SS.*Hα-helixtrans-66.9-37.5-174.9-159.3167.3000112K127 F128 T134 M135K127-I131 PolarHBondContact O-N 2.81Å; F128-I131 VanDerWaalsContact O-CG2 3.26Å; F128-I131 WeakPolarHBondContact O-CG2 3.43Å; F128-I131 PolarHBondContact O-N 3.29Å; I131-T134 PolarHBondContact O-N 3.37Å; I131-M135 VanDerWaalsContact O-CG 3.23Å; I131-M135 WeakPolarHBondContact O-CG 3.34Å; I131-M135 PolarHBondContact O-N 3.43Å; I131-M135 VanDerWaalsContact O-N 3.08Å
132Q86.3Confident82.7Confident157 Ų157120.1 Ų120.173%0.73456%0.562SS**Hα-helixtrans-67-48.4178-72.7-175.9-23.700111.3H130 T134 M135 E136H130-Q132 PolarHBondContact O-N 3.38Å; Q132-T134 VanDerWaalsContact C-N 3.3Å; Q132-T134 PolarHBondContact O-N 3.1Å; Q132-M135 PolarHBondContact O-N 3.45Å; Q132-M135 VanDerWaalsContact O-N 3.16Å; Q132-E136 WeakPolarHBondContact O-CB 3.38Å; Q132-E136 PolarHBondContact O-N 3.21Å
133E86.9Confident81.6Confident122 Ų122121.1 Ų121.157%0.5757%0.565SS**Hα-helixtrans-60.4-38.5176.1-69.3-177.8168.500112.3H130 M135 E136 K137H130-E133 IonicContact CD2-OE2 2.79Å; H130-E133 PolarHBondContact CD2-OE2 2.89Å; E133-M135 VanDerWaalsContact C-N 3.34Å; E133-M135 PolarHBondContact O-N 2.81Å; E133-E136 PolarHBondContact O-N 3.18Å; E133-K137 VanDerWaalsContact O-CB 3.27Å; E133-K137 WeakPolarHBondContact O-CB 3.44Å; E133-K137 PolarHBondContact O-N 3.41Å
134T86.8Confident80.3Confident69 Ų69121.6 Ų121.642%0.42357%0.571SS.*Hα-helixtrans-65.2-40.4177.8-53.90000111.3H130 I131 Q132 R138H130-T134 WeakPolarHBondContact O-CB 3.16Å; H130-T134 PolarHBondContact O-N 3.49Å; H130-T134 PolarHBondContact O-OG1 3.19Å; I131-T134 PolarHBondContact O-N 3.37Å; Q132-T134 VanDerWaalsContact C-N 3.3Å; Q132-T134 PolarHBondContact O-N 3.1Å; T134-R138 PolarHBondContact O-N 3.01Å; T134-R138 VanDerWaalsContact O-N 3.11Å
135M84.6Confident78.9Confident119 Ų119122.9 Ų122.959%0.58658%0.579SS**Hα-helixtrans-67.3-41.1175.9-71-67.5-74.700111.4I131 Q132 E133 R138 R139I131-M135 VanDerWaalsContact O-CG 3.23Å; I131-M135 WeakPolarHBondContact O-CG 3.34Å; I131-M135 PolarHBondContact O-N 3.43Å; I131-M135 VanDerWaalsContact O-N 3.08Å; Q132-M135 PolarHBondContact O-N 3.45Å; Q132-M135 VanDerWaalsContact O-N 3.16Å; E133-M135 VanDerWaalsContact C-N 3.34Å; E133-M135 PolarHBondContact O-N 2.81Å; M135-R138 PolarHBondContact O-N 2.96Å; M135-R139 WeakPolarHBondContact O-CB 3.48Å; M135-R139 PolarHBondContact O-N 3.39Å
136E85.3Confident77.4Confident122 Ų122125.2 Ų125.257%0.5759%0.592SS**Hα-helixtrans-68.8-40.5178-168.8159.6-150.300112.1Q132 E133 R138 R139 M140Q132-E136 WeakPolarHBondContact O-CB 3.38Å; Q132-E136 PolarHBondContact O-N 3.21Å; E133-E136 PolarHBondContact O-N 3.18Å; E136-R138 VanDerWaalsContact C-N 3.33Å; E136-R138 PolarHBondContact O-N 2.89Å; E136-R139 CarbonylContact O-C 3.55Å; E136-R139 WeakPolarHBondContact O-CA 3.46Å; E136-R139 WeakPolarHBondContact O-CB 3.37Å; E136-R139 PolarHBondContact O-N 3.31Å; E136-R139 VanDerWaalsContact O-N 3.09Å; E136-M140 WeakPolarHBondContact O-CG 3.07Å; E136-M140 PolarHBondContact O-N 3.35Å
137K84.7Confident75.8Confident148 Ų148125.1 Ų125.164%0.64360%0.595SS**Hα-helixtrans-60.1-41.4172.5-169.7173.4-176174.50111.7E133 S141E133-K137 VanDerWaalsContact O-CB 3.27Å; E133-K137 WeakPolarHBondContact O-CB 3.44Å; E133-K137 PolarHBondContact O-N 3.41Å; K137-S141 WeakPolarHBondContact O-CB 3.49Å; K137-S141 PolarHBondContact O-N 3.01Å; K137-S141 PolarHBondContact O-OG 2.89Å
138R82.2Confident74.4Confident163 Ų163124.6 Ų124.662%0.61560%0.603SS**Hα-helixtrans-64.4-41.2171.8-82.8-175-164.9163.15.3112.1T134 M135 E136 S141 L142T134-R138 PolarHBondContact O-N 3.01Å; T134-R138 VanDerWaalsContact O-N 3.11Å; M135-R138 PolarHBondContact O-N 2.96Å; E136-R138 VanDerWaalsContact C-N 3.33Å; E136-R138 PolarHBondContact O-N 2.89Å; R138-S141 WeakPolarHBondContact O-CB 3.41Å; R138-S141 PolarHBondContact O-N 3.18Å; R138-L142 WeakPolarHBondContact O-CG 3.28Å; R138-L142 PolarHBondContact O-N 3.23Å; R138-L142 VanDerWaalsContact O-N 3.12Å
139R80.3Confident72.6Confident185 Ų185125 Ų12570%0.69860%0.604SS**Hα-helixtrans-61.4-47.6176.8-166.4178.1-169.9160.22.7111.1M135 E136 S141 L142 T143M135-R139 WeakPolarHBondContact O-CB 3.48Å; M135-R139 PolarHBondContact O-N 3.39Å; E136-R139 CarbonylContact O-C 3.55Å; E136-R139 WeakPolarHBondContact O-CA 3.46Å; E136-R139 WeakPolarHBondContact O-CB 3.37Å; E136-R139 PolarHBondContact O-N 3.31Å; E136-R139 VanDerWaalsContact O-N 3.09Å; R139-S141 VanDerWaalsContact C-N 3.29Å; R139-S141 PolarHBondContact O-N 2.89Å; R139-L142 WeakPolarHBondContact O-CA 3.37Å; R139-L142 WeakPolarHBondContact O-CB 3.37Å; R139-L142 PolarHBondContact O-N 2.67Å; R139-T143 WeakPolarHBondContact O-CG2 3.41Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 PolarHBondContact O-OG1 3.3Å
140M70.2Confident70.7Confident100 Ų100121.8 Ų121.849%0.49360%0.603SS.*Hα-helixtrans-61.6-36.1175.2-70.1-164.4-6300112.5E136 L142 T143 N144E136-M140 WeakPolarHBondContact O-CG 3.07Å; E136-M140 PolarHBondContact O-N 3.35Å; M140-L142 PolarHBondContact O-N 3.2Å; M140-T143 WeakPolarHBondContact CA-OG1 3.03Å; M140-T143 PolarHBondContact O-N 2.96Å; M140-T143 PolarHBondContact O-OG1 3.4Å; M140-N144 VanDerWaalsContact O-CB 3.23Å; M140-N144 WeakPolarHBondContact O-CB 3.36Å; M140-N144 PolarHBondContact O-N 2.96Å; M140-N144 PolarHBondContact O-ND2 3.25Å; M140-N144 PolarHBondContact O-OD1 3.01Å
141S68.2Low69Low81 Ų81122.7 Ų122.757%0.56663%0.625SS**Hα-helixtrans-64.6-29.5174.3-50.60000112.6K137 R138 R139K137-S141 WeakPolarHBondContact O-CB 3.49Å; K137-S141 PolarHBondContact O-N 3.01Å; K137-S141 PolarHBondContact O-OG 2.89Å; R138-S141 WeakPolarHBondContact O-CB 3.41Å; R138-S141 PolarHBondContact O-N 3.18Å; R139-S141 VanDerWaalsContact C-N 3.29Å; R139-S141 PolarHBondContact O-N 2.89Å
142L62.9Low67.6Low130 Ų130119.7 Ų119.768%0.68162%0.618SS**Hα-helixtrans-84.3-31.7177.1-67.4167000112.1R138 R139 M140R138-L142 WeakPolarHBondContact O-CG 3.28Å; R138-L142 PolarHBondContact O-N 3.23Å; R138-L142 VanDerWaalsContact O-N 3.12Å; R139-L142 WeakPolarHBondContact O-CA 3.37Å; R139-L142 WeakPolarHBondContact O-CB 3.37Å; R139-L142 PolarHBondContact O-N 2.67Å; M140-L142 PolarHBondContact O-N 3.2Å
143T59.6Low66.8Low80 Ų80120.4 Ų120.449%0.49162%0.619SS.*Hα-helixtrans-85.5-23.7179.3590000113.2R139 M140 K145 E146R139-T143 WeakPolarHBondContact O-CG2 3.41Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 PolarHBondContact O-OG1 3.3Å; M140-T143 WeakPolarHBondContact CA-OG1 3.03Å; M140-T143 PolarHBondContact O-N 2.96Å; M140-T143 PolarHBondContact O-OG1 3.4Å; T143-K145 PolarHBondContact O-N 3.4Å; T143-E146 PolarHBondContact O-N 3.4Å
144N55.1Low65.8Low118 Ų118121.7 Ų121.763%0.63163%0.625SS**  trans-72.525.5171.9-68.3-14.2000113.7M140M140-N144 VanDerWaalsContact O-CB 3.23Å; M140-N144 WeakPolarHBondContact O-CB 3.36Å; M140-N144 PolarHBondContact O-N 2.96Å; M140-N144 PolarHBondContact O-ND2 3.25Å; M140-N144 PolarHBondContact O-OD1 3.01Å
145K54.8Low65.2Low165 Ų165122.6 Ų122.672%0.71763%0.63SS**  trans-87.424.5156.2-81.7179.6174.5171.20111.4T143T143-K145 PolarHBondContact O-N 3.4Å
146E53.4Low64.6Low162 Ų162122.6 Ų122.676%0.75763%0.632SS**  trans-65.9127.7155.4-68.2-178.3169.200107T143T143-E146 PolarHBondContact O-N 3.4Å
147D53.4Low64.1Low110 Ų110121.5 Ų121.559%0.58863%0.63SS**  trans77.262.6-168.8-57.2-23.5000117.1K149D147-K149 HydrophobicContact CB-CB 4.23Å; D147-K149 HydrophobicContact CB-CD 4.13Å; D147-K149 HydrophobicContact CB-CG 4Å; D147-K149 VanDerWaalsContact CG-NZ 3.28Å; D147-K149 PolarHBondContact O-N 2.95Å; D147-K149 VanDerWaalsContact OD1-CE 3.3Å; D147-K149 WeakPolarHBondContact OD1-CE 3.31Å; D147-K149 IonicContact OD1-NZ 3.78Å; D147-K149 PolarHBondContact OD1-NZ 3.16Å; D147-K149 VanDerWaalsContact OD1-NZ 3.15Å; D147-K149 IonicContact OD2-NZ 3.15Å; D147-K149 PolarHBondContact OD2-NZ 3.35Å
148V55.3Low63.8Low125 Ų125120 Ų12076%0.75863%0.625SS**  trans-69.663.8134.4-169.20000108.1G150V148-G150 PolarHBondContact O-N 2.82Å; V148-G150 VanDerWaalsContact O-N 3.1Å
149K51.2Low63.8Low169 Ų169115.7 Ų115.774%0.73562%0.617SS**  trans-79.176.4163.7-83.5177.5-177.3139.10106.6D147D147-K149 HydrophobicContact CB-CB 4.23Å; D147-K149 HydrophobicContact CB-CD 4.13Å; D147-K149 HydrophobicContact CB-CG 4Å; D147-K149 VanDerWaalsContact CG-NZ 3.28Å; D147-K149 PolarHBondContact O-N 2.95Å; D147-K149 VanDerWaalsContact OD1-CE 3.3Å; D147-K149 WeakPolarHBondContact OD1-CE 3.31Å; D147-K149 IonicContact OD1-NZ 3.78Å; D147-K149 PolarHBondContact OD1-NZ 3.16Å; D147-K149 VanDerWaalsContact OD1-NZ 3.15Å; D147-K149 IonicContact OD2-NZ 3.15Å; D147-K149 PolarHBondContact OD2-NZ 3.35Å
150G46.5Very low63.9Low48 Ų48112.7 Ų112.750%0.49561%0.609SS.*SBendtrans-175.489.8-176.900000110.5V148V148-G150 PolarHBondContact O-N 2.82Å; V148-G150 VanDerWaalsContact O-N 3.1Å
151A53.5Low64.4Low108 Ų108111.1 Ų111.189%0.89360%0.603SS**SBendtrans44.974.3159.600000115.4
152G58.4Low65.2Low33 Ų33114 Ų11434%0.3461%0.605SS.*  trans-164-47177.700000117.3E154 V155 L156G152-E154 PolarHBondContact O-N 2.91Å; G152-V155 PolarHBondContact O-N 3.25Å; G152-L156 WeakPolarHBondContact O-CA 3.28Å; G152-L156 WeakPolarHBondContact O-CB 3.5Å; G152-L156 PolarHBondContact O-N 3.07Å
153K69.8Low66Low171 Ų171115 Ų11574%0.74360%0.604SS**Hα-helixtrans-68.6-41.6-168.7-162.5173.3-176.8178.80113.2N157K153-N157 WeakPolarHBondContact O-CB 3.42Å; K153-N157 PolarHBondContact O-N 3.43Å
154E66.3Low66.8Low150 Ų150115.3 Ų115.370%0.70160%0.6SS**Hα-helixtrans-71.1-42.9177.6-65.2176.9-163.100111.7G152 L156 N157 Q158G152-E154 PolarHBondContact O-N 2.91Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.35Å; E154-N157 PolarHBondContact O-N 3.03Å; E154-Q158 WeakPolarHBondContact O-CB 3.26Å; E154-Q158 WeakPolarHBondContact O-CG 3.35Å; E154-Q158 PolarHBondContact O-N 3.44Å
155V72.8Confident67.9Low88 Ų88117 Ų11753%0.53360%0.598SS.*Hα-helixtrans-63.1-41.7175.8-178.20000110.4G152 Q158 T159G152-V155 PolarHBondContact O-N 3.25Å; V155-Q158 PolarHBondContact O-N 2.96Å; V155-T159 PolarHBondContact O-N 3.43Å; V155-T159 PolarHBondContact O-OG1 2.83Å
156L71.7Confident68.7Low119 Ų119114.9 Ų114.962%0.62359%0.594SS**Hα-helixtrans-66.1-42.8178.2-166.573.2000111.6G152 E154 T159 K160G152-L156 WeakPolarHBondContact O-CA 3.28Å; G152-L156 WeakPolarHBondContact O-CB 3.5Å; G152-L156 PolarHBondContact O-N 3.07Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.35Å; L156-T159 VanDerWaalsContact CA-OG1 3.25Å; L156-T159 WeakPolarHBondContact CA-OG1 3.5Å; L156-T159 PolarHBondContact O-N 3Å; L156-T159 PolarHBondContact O-OG1 2.91Å; L156-K160 WeakPolarHBondContact O-CB 3.49Å; L156-K160 PolarHBondContact O-N 2.98Å
157N76.3Confident69.3Low99 Ų99112.4 Ų112.453%0.52959%0.585SS.*Hα-helixtrans-65.2-39.5173.7-86.11.8000111.9K153 E154 K160 D161K153-N157 WeakPolarHBondContact O-CB 3.42Å; K153-N157 PolarHBondContact O-N 3.43Å; E154-N157 PolarHBondContact O-N 3.03Å; N157-K160 PolarHBondContact O-N 2.97Å; N157-D161 WeakPolarHBondContact O-CB 3.49Å; N157-D161 PolarHBondContact O-N 2.84Å
158Q78.5Confident69.9Low115 Ų115114 Ų11454%0.53759%0.59SS.*Hα-helixtrans-66.3-38.4175.1-72.81732800112.2E154 V155 K162E154-Q158 WeakPolarHBondContact O-CB 3.26Å; E154-Q158 WeakPolarHBondContact O-CG 3.35Å; E154-Q158 PolarHBondContact O-N 3.44Å; V155-Q158 PolarHBondContact O-N 2.96Å; Q158-K162 WeakPolarHBondContact O-CB 3.08Å; Q158-K162 WeakPolarHBondContact O-CG 3.22Å; Q158-K162 PolarHBondContact O-N 3.31Å
159T81.3Confident70.2Confident74 Ų74115 Ų11545%0.45459%0.586SS.*Hα-helixtrans-70.3-36.3173.740.30000112.6V155 L156 K162 F163V155-T159 PolarHBondContact O-N 3.43Å; V155-T159 PolarHBondContact O-OG1 2.83Å; L156-T159 VanDerWaalsContact CA-OG1 3.25Å; L156-T159 WeakPolarHBondContact CA-OG1 3.5Å; L156-T159 PolarHBondContact O-N 3Å; L156-T159 PolarHBondContact O-OG1 2.91Å; T159-K162 PolarHBondContact O-N 2.78Å; T159-F163 WeakPolarHBondContact O-CB 3.16Å; T159-F163 PolarHBondContact O-N 3.1Å
160K83.6Confident70.5Confident121 Ų121110.1 Ų110.153%0.52657%0.573SS.*Hα-helixtrans-63.3-47.8173.8-178.1-179.4170.2-179.60110.9L156 N157 K162 F163 E164L156-K160 WeakPolarHBondContact O-CB 3.49Å; L156-K160 PolarHBondContact O-N 2.98Å; N157-K160 PolarHBondContact O-N 2.97Å; K160-K162 VanDerWaalsContact C-N 3.32Å; K160-K162 PolarHBondContact O-N 3.42Å; K160-F163 PolarHBondContact O-N 3.33Å; K160-F163 VanDerWaalsContact O-N 3.12Å; K160-E164 WeakPolarHBondContact CE-OE1 3.46Å; K160-E164 IonicContact NZ-OE1 3.41Å; K160-E164 PolarHBondContact O-N 3.21Å
161D81Confident70.9Confident68 Ų68114.7 Ų114.736%0.36459%0.586SS.*Hα-helixtrans-64.1-37.3178.9-158.467.6000111.6N157 R165N157-D161 WeakPolarHBondContact O-CB 3.49Å; N157-D161 PolarHBondContact O-N 2.84Å; D161-R165 VanDerWaalsContact O-CG 3.27Å; D161-R165 WeakPolarHBondContact O-CG 3.29Å; D161-R165 PolarHBondContact O-N 3.45Å; D161-R165 IonicContact OD2-CZ 3.12Å; D161-R165 IonicContact OD2-NE 2.94Å; D161-R165 PolarHBondContact OD2-NE 3.25Å; D161-R165 IonicContact OD2-NH2 2.71Å; D161-R165 PolarHBondContact OD2-NH2 2.95Å
162K83.3Confident71.1Confident141 Ų141118 Ų11861%0.61358%0.583SS**Hα-helixtrans-62.9-41.7171.4-81.4177.2178.6-1780112.6Q158 T159 K160 L166Q158-K162 WeakPolarHBondContact O-CB 3.08Å; Q158-K162 WeakPolarHBondContact O-CG 3.22Å; Q158-K162 PolarHBondContact O-N 3.31Å; T159-K162 PolarHBondContact O-N 2.78Å; K160-K162 VanDerWaalsContact C-N 3.32Å; K160-K162 PolarHBondContact O-N 3.42Å; K162-L166 PolarHBondContact O-N 2.81Å; K162-L166 VanDerWaalsContact O-N 3.1Å
163F79.6Confident70.9Confident151 Ų151120.8 Ų120.866%0.66259%0.594SS**Hα-helixtrans-67.6-42.7179.1-168.3-92.9000111.5T159 K160 R165 L166 N167T159-F163 WeakPolarHBondContact O-CB 3.16Å; T159-F163 PolarHBondContact O-N 3.1Å; K160-F163 PolarHBondContact O-N 3.33Å; K160-F163 VanDerWaalsContact O-N 3.12Å; F163-R165 PolarHBondContact O-N 3Å; F163-L166 PolarHBondContact O-N 2.69Å; F163-N167 WeakPolarHBondContact O-CB 3.36Å; F163-N167 PolarHBondContact O-N 2.98Å
164E77.9Confident69.9Low87 Ų87119.1 Ų119.141%0.40760%0.6SS.*Hα-helixtrans-64-39.1176.6-75.1176.3-178.500112.2K160 N167 Q168K160-E164 WeakPolarHBondContact CE-OE1 3.46Å; K160-E164 IonicContact NZ-OE1 3.41Å; K160-E164 PolarHBondContact O-N 3.21Å; E164-N167 PolarHBondContact O-N 3.18Å; E164-Q168 WeakPolarHBondContact O-CG 3.28Å; E164-Q168 PolarHBondContact O-N 3.02Å; E164-Q168 VanDerWaalsContact O-N 3.1Å
165R78.5Confident69.6Low153 Ų153116.7 Ų116.758%0.57760%0.596SS**Hα-helixtrans-67-37.2174.7-70.7176.8-165-160.73.3113.4D161 F163 N167 Q168 Q169D161-R165 VanDerWaalsContact O-CG 3.27Å; D161-R165 WeakPolarHBondContact O-CG 3.29Å; D161-R165 PolarHBondContact O-N 3.45Å; D161-R165 IonicContact OD2-CZ 3.12Å; D161-R165 IonicContact OD2-NE 2.94Å; D161-R165 PolarHBondContact OD2-NE 3.25Å; D161-R165 IonicContact OD2-NH2 2.71Å; D161-R165 PolarHBondContact OD2-NH2 2.95Å; F163-R165 PolarHBondContact O-N 3Å; R165-N167 VanDerWaalsContact C-N 3.34Å; R165-Q168 PolarHBondContact O-N 2.9Å; R165-Q169 WeakPolarHBondContact O-CG 3.48Å; R165-Q169 PolarHBondContact O-N 3.09Å
166L69.7Low68.7Low120 Ų120116.7 Ų116.763%0.62861%0.605SS**Hα-helixtrans-66.4-36.5175-97.2149.7000111.8K162 F163 Q168 Q169 S170K162-L166 PolarHBondContact O-N 2.81Å; K162-L166 VanDerWaalsContact O-N 3.1Å; F163-L166 PolarHBondContact O-N 2.69Å; L166-Q168 VanDerWaalsContact C-N 3.34Å; L166-Q169 PolarHBondContact O-N 2.95Å; L166-S170 PolarHBondContact O-N 3.38Å
167N66.5Low68.1Low110 Ų110118.8 Ų118.859%0.58861%0.611SS**Hα-helixtrans-76.9-18.5178-153.853.5000113.4F163 E164 R165 S170F163-N167 WeakPolarHBondContact O-CB 3.36Å; F163-N167 PolarHBondContact O-N 2.98Å; E164-N167 PolarHBondContact O-N 3.18Å; R165-N167 VanDerWaalsContact C-N 3.34Å; N167-S170 PolarHBondContact O-OG 3.26Å
168Q66.7Low67.4Low145 Ų145122.1 Ų122.168%0.67862%0.624SS**Hα-helixtrans-85.5-20.3171.4-73.6167.91100112.6E164 R165 L166E164-Q168 WeakPolarHBondContact O-CG 3.28Å; E164-Q168 PolarHBondContact O-N 3.02Å; E164-Q168 VanDerWaalsContact O-N 3.1Å; R165-Q168 PolarHBondContact O-N 2.9Å; L166-Q168 VanDerWaalsContact C-N 3.34Å
169Q62.1Low66.9Low145 Ų145123.4 Ų123.468%0.67863%0.633SS**Hα-helixtrans-87.8-12.8176.6-76.5179.8-16.900113.4R165 L166 D171R165-Q169 WeakPolarHBondContact O-CG 3.48Å; R165-Q169 PolarHBondContact O-N 3.09Å; L166-Q169 PolarHBondContact O-N 2.95Å; Q169-D171 PolarHBondContact O-N 2.85Å
170S55.5Low66.1Low67 Ų67126.5 Ų126.547%0.46965%0.646SS.*THydrogen-bonded Turntrans-71-11.4-178.649.50000114.7L166 N167L166-S170 PolarHBondContact O-N 3.38Å; N167-S170 PolarHBondContact O-OG 3.26Å
171D55.6Low65.2Low143 Ų143127.5 Ų127.577%0.76566%0.657SS**THydrogen-bonded Turntrans-88.9-0.9-175.5-71.1-19.2000115Q169Q169-D171 PolarHBondContact O-N 2.85Å
172Q58.8Low64.6Low178 Ų178131.4 Ų131.483%0.83268%0.676SS**SBendtrans-121.9-2.7-172.5-71.2-176.426.500117.4
173T53.1Low64Low92 Ų92129.4 Ų129.456%0.56468%0.68SS**  trans-145.4126.7174.155.70000111V175T173-V175 VanDerWaalsContact C-N 3.28Å; T173-V175 PolarHBondContact O-N 3.13Å
174P50.2Low63.6Low135 Ų135126.1 Ų126.188%0.87767%0.669SS**  trans-70.191.6170.629.9-30.9000107.7A176P174-A176 PolarHBondContact O-N 2.95Å; P174-A176 VanDerWaalsContact O-N 3.11Å
175V58.1Low63.6Low100 Ų100125 Ų12561%0.60667%0.671SS**  trans-69.2108.6168.7-1790000105.6T173 H177T173-V175 VanDerWaalsContact C-N 3.28Å; T173-V175 PolarHBondContact O-N 3.13Å; V175-H177 VanDerWaalsContact C-N 3.29Å; V175-H177 PolarHBondContact O-N 3.09Å
176A55.3Low63.6Low88 Ų88121 Ų12173%0.72767%0.67SS**  trans-58.9100166.200000106.8P174 E178P174-A176 PolarHBondContact O-N 2.95Å; P174-A176 VanDerWaalsContact O-N 3.11Å; A176-E178 PolarHBondContact O-N 3.15Å
177H57.9Low64.2Low163 Ų163120.6 Ų120.676%0.75567%0.669SS**  trans-64.196.3164.3-77.1-85.1000105.9V175 I179V175-H177 VanDerWaalsContact C-N 3.29Å; V175-H177 PolarHBondContact O-N 3.09Å; H177-I179 VanDerWaalsContact C-N 3.32Å; H177-I179 PolarHBondContact O-N 2.82Å
178E63.1Low65Low169 Ų169118.7 Ų118.779%0.7966%0.659SS**  trans-57.7105.5160.4-75.8-173.616600105.9A176 L180A176-E178 PolarHBondContact O-N 3.15Å; E178-L180 VanDerWaalsContact C-N 3.27Å; E178-L180 PolarHBondContact O-N 3.49Å
179I68.1Low65.6Low142 Ų142117.6 Ų117.673%0.72865%0.652SS**  trans-63.898.4170.2-60.1173.1000105H177 D181H177-I179 VanDerWaalsContact C-N 3.32Å; H177-I179 PolarHBondContact O-N 2.82Å; I179-D181 VanDerWaalsContact C-N 3.31Å; I179-D181 PolarHBondContact O-N 2.89Å
180L63.8Low66.5Low139 Ų139116.4 Ų116.473%0.72865%0.646SS**  trans-67.698.9164.4-66.8175.5000106E178 I182E178-L180 VanDerWaalsContact C-N 3.27Å; E178-L180 PolarHBondContact O-N 3.49Å; L180-I182 PolarHBondContact O-N 3.39Å
181D63.4Low67.9Low141 Ų141121.4 Ų121.475%0.75465%0.654SS**  trans-64.786.4169.6-90-21.8000108.4I179 S183I179-D181 VanDerWaalsContact C-N 3.31Å; I179-D181 PolarHBondContact O-N 2.89Å; D181-S183 PolarHBondContact O-N 3.35Å
182I69.1Low68.9Low150 Ų150118.1 Ų118.177%0.76964%0.636SS**  trans-70.378.2166.9-55.3170.4000106.3L180 L184L180-I182 PolarHBondContact O-N 3.39Å; I182-L184 PolarHBondContact O-N 3.32Å; I182-L184 VanDerWaalsContact O-N 3.12Å
183S71Confident69.9Low100 Ų100117.4 Ų117.470%0.69963%0.63SS**  trans-69.8105168500000107.5D181 S185D181-S183 PolarHBondContact O-N 3.35Å; S183-S185 PolarHBondContact O-N 3.34Å
184L71.3Confident70.9Confident81 Ų81118.9 Ų118.942%0.42463%0.631SS.*  trans-51.2128.5166.9-77.1138.3000108.5I182 D188 K189 I192I182-L184 PolarHBondContact O-N 3.32Å; I182-L184 VanDerWaalsContact O-N 3.12Å; L184-D188 HydrophobicContact CB-CB 4.27Å; L184-D188 HydrophobicContact CD2-CB 3.72Å; L184-K189 HydrophobicContact CB-CG 3.76Å; L184-K189 WeakPolarHBondContact O-CE 3.31Å; L184-I192 HydrophobicContact CD1-CD1 4.43Å; L184-I192 HydrophobicContact CD2-CD1 3.58Å
185S77.1Confident71.9Confident64 Ų64116.9 Ų116.945%0.44862%0.616SS.*  trans-53.9151.5174-176.10000109.4S183 D187 D188 K189S183-S185 PolarHBondContact O-N 3.34Å; S185-D187 PolarHBondContact O-N 3.17Å; S185-D187 VanDerWaalsContact O-N 3.08Å; S185-D188 PolarHBondContact O-N 3.35Å; S185-K189 PolarHBondContact O-N 3.47Å
186A79.5Confident72.3Confident69 Ų69120.7 Ų120.757%0.5763%0.625SS**Hα-helixtrans-52.8-34.2178.900000111.8K189 Q190A186-K189 PolarHBondContact O-N 3.4Å; A186-Q190 PolarHBondContact O-N 3.04Å; A186-Q190 VanDerWaalsContact O-N 3.1Å
187D82.9Confident72.5Confident111 Ų111119 Ų11959%0.59462%0.616SS**Hα-helixtrans-70.6-39.6178.3-52.8-35.5000112.4S185 K189 Q190 R191S185-D187 PolarHBondContact O-N 3.17Å; S185-D187 VanDerWaalsContact O-N 3.08Å; D187-K189 VanDerWaalsContact C-N 3.34Å; D187-Q190 PolarHBondContact O-N 3.43Å; D187-R191 WeakPolarHBondContact O-CB 3.04Å; D187-R191 PolarHBondContact O-N 3.44Å
188D82.5Confident72.2Confident71 Ų71119.8 Ų119.838%0.3862%0.62SS.*Hα-helixtrans-67.1-38.2175.7-72-33.5000111L184 S185 Q190 R191 I192L184-D188 HydrophobicContact CB-CB 4.27Å; L184-D188 HydrophobicContact CD2-CB 3.72Å; S185-D188 PolarHBondContact O-N 3.35Å; D188-Q190 VanDerWaalsContact C-N 3.31Å; D188-Q190 PolarHBondContact O-N 3.11Å; D188-R191 PolarHBondContact O-N 3.03Å; D188-I192 WeakPolarHBondContact O-CB 3.32Å; D188-I192 WeakPolarHBondContact O-CD1 3.17Å; D188-I192 WeakPolarHBondContact O-CG1 3.44Å; D188-I192 PolarHBondContact O-N 3.39Å
189K79.4Confident71.7Confident122 Ų122118.7 Ų118.753%0.5362%0.62SS.*Hα-helixtrans-61.7-40.1174.2-67.9179.9179.3174.70111.5L184 S185 A186 D187 K193L184-K189 HydrophobicContact CB-CG 3.76Å; L184-K189 WeakPolarHBondContact O-CE 3.31Å; S185-K189 PolarHBondContact O-N 3.47Å; A186-K189 PolarHBondContact O-N 3.4Å; D187-K189 VanDerWaalsContact C-N 3.34Å; K189-K193 VanDerWaalsContact O-CB 3.28Å; K189-K193 WeakPolarHBondContact O-CB 3.39Å; K189-K193 PolarHBondContact O-N 3.39Å; K189-K193 VanDerWaalsContact O-N 3.1Å
190Q81.5Confident70.7Confident119 Ų119120.1 Ų120.156%0.55663%0.629SS**Hα-helixtrans-68.1-48.3176-77.9-179.7-16.400111.6A186 D187 D188 I192 K193 E194A186-Q190 PolarHBondContact O-N 3.04Å; A186-Q190 VanDerWaalsContact O-N 3.1Å; D187-Q190 PolarHBondContact O-N 3.43Å; D188-Q190 VanDerWaalsContact C-N 3.31Å; D188-Q190 PolarHBondContact O-N 3.11Å; Q190-I192 PolarHBondContact O-N 2.98Å; Q190-K193 CarbonylContact O-C 3.58Å; Q190-K193 WeakPolarHBondContact O-CA 3.18Å; Q190-K193 WeakPolarHBondContact O-CB 3.29Å; Q190-K193 PolarHBondContact O-N 3.17Å; Q190-E194 WeakPolarHBondContact O-CG 3.19Å; Q190-E194 PolarHBondContact O-N 3Å
191R83.4Confident69.8Low172 Ų172115.7 Ų115.765%0.64962%0.617SS**Hα-helixtrans-59.7-43.6179.2-172.8177168.3-161.3-3.2112.3D187 D188 K193 E194 T195D187-R191 WeakPolarHBondContact O-CB 3.04Å; D187-R191 PolarHBondContact O-N 3.44Å; D188-R191 PolarHBondContact O-N 3.03Å; R191-K193 VanDerWaalsContact C-N 3.35Å; R191-E194 PolarHBondContact O-N 3.19Å; R191-T195 VanDerWaalsContact O-CG2 3.27Å; R191-T195 WeakPolarHBondContact O-CG2 3.43Å; R191-T195 PolarHBondContact O-N 3.42Å; R191-T195 PolarHBondContact O-OG1 2.57Å; R191-T195 VanDerWaalsContact O-OG1 3.06Å
192I78.4Confident69.1Low74 Ų74113 Ų11338%0.37961%0.609SS.*Hα-helixtrans-60.7-47.3174.1-68.5166.4000109.7L184 D188 Q190 E194 T195 F196L184-I192 HydrophobicContact CD1-CD1 4.43Å; L184-I192 HydrophobicContact CD2-CD1 3.58Å; D188-I192 WeakPolarHBondContact O-CB 3.32Å; D188-I192 WeakPolarHBondContact O-CD1 3.17Å; D188-I192 WeakPolarHBondContact O-CG1 3.44Å; D188-I192 PolarHBondContact O-N 3.39Å; Q190-I192 PolarHBondContact O-N 2.98Å; I192-E194 VanDerWaalsContact C-N 3.28Å; I192-E194 PolarHBondContact O-N 3.35Å; I192-T195 WeakPolarHBondContact CA-OG1 3.25Å; I192-T195 PolarHBondContact O-N 2.75Å; I192-T195 PolarHBondContact O-OG1 2.74Å; I192-F196 HydrophobicContact CG2-CD2 3.82Å; I192-F196 HydrophobicContact CG2-CE2 3.97Å; I192-F196 WeakPolarHBondContact O-CD2 3.38Å; I192-F196 PolarHBondContact O-N 3.01Å; I192-F196 VanDerWaalsContact O-N 3.12Å
193K78.4Confident68.3Low163 Ų163109.8 Ų109.871%0.70961%0.613SS**Hα-helixtrans-62.2-34.4179.9-162.3176.6-163.7-176.60113.2K189 Q190 R191 G197K189-K193 VanDerWaalsContact O-CB 3.28Å; K189-K193 WeakPolarHBondContact O-CB 3.39Å; K189-K193 PolarHBondContact O-N 3.39Å; K189-K193 VanDerWaalsContact O-N 3.1Å; Q190-K193 CarbonylContact O-C 3.58Å; Q190-K193 WeakPolarHBondContact O-CA 3.18Å; Q190-K193 WeakPolarHBondContact O-CB 3.29Å; Q190-K193 PolarHBondContact O-N 3.17Å; R191-K193 VanDerWaalsContact C-N 3.35Å; K193-G197 WeakPolarHBondContact O-CA 3.38Å; K193-G197 PolarHBondContact O-N 2.94Å
194E75Confident68Low123 Ų123109.8 Ų109.858%0.57560%0.602SS**Hα-helixtrans-75.1-44.7176.9-71.6167.4-172.300111.3Q190 R191 I192 F196 G197Q190-E194 WeakPolarHBondContact O-CG 3.19Å; Q190-E194 PolarHBondContact O-N 3Å; R191-E194 PolarHBondContact O-N 3.19Å; I192-E194 VanDerWaalsContact C-N 3.28Å; I192-E194 PolarHBondContact O-N 3.35Å; E194-F196 PolarHBondContact O-N 3.06Å; E194-G197 PolarHBondContact O-N 3.03Å
195T71.2Confident67.9Low93 Ų93115.7 Ų115.757%0.57162%0.619SS**Hα-helixtrans-63.5-26178.354.80000114R191 I192R191-T195 VanDerWaalsContact O-CG2 3.27Å; R191-T195 WeakPolarHBondContact O-CG2 3.43Å; R191-T195 PolarHBondContact O-N 3.42Å; R191-T195 PolarHBondContact O-OG1 2.57Å; R191-T195 VanDerWaalsContact O-OG1 3.06Å; I192-T195 WeakPolarHBondContact CA-OG1 3.25Å; I192-T195 PolarHBondContact O-N 2.75Å; I192-T195 PolarHBondContact O-OG1 2.74Å
196F65.4Low68.2Low180 Ų180113.5 Ų113.579%0.78960%0.603SS**THydrogen-bonded Turntrans-105.22.8173.1-62.8-70.8000112.9I192 E194I192-F196 HydrophobicContact CG2-CD2 3.82Å; I192-F196 HydrophobicContact CG2-CE2 3.97Å; I192-F196 WeakPolarHBondContact O-CD2 3.38Å; I192-F196 PolarHBondContact O-N 3.01Å; I192-F196 VanDerWaalsContact O-N 3.12Å; E194-F196 PolarHBondContact O-N 3.06Å
197G59.9Low68.8Low53 Ų53114.6 Ų114.655%0.54660%0.599SS.*  trans-95.8-0.6-171.600000114.7K193 E194K193-G197 WeakPolarHBondContact O-CA 3.38Å; K193-G197 PolarHBondContact O-N 2.94Å; E194-G197 PolarHBondContact O-N 3.03Å
198E51.3Low69.3Low179 Ų179109.4 Ų109.484%0.83657%0.572SS**  trans-109.371.6-177.1-62.9-173.9133.400111
199D53.9Low69.7Low147 Ų147108.8 Ų108.879%0.78658%0.577SS**  trans-143.7128140.5-152.8-2.7000110.2G201D199-G201 PolarHBondContact O-N 3.33Å
200N46Very low70.3Confident171 Ų171107 Ų10791%0.91457%0.572SS**SBendtrans-73.296.2177.3-82.3-69000108.8
201G45.9Very low70.8Confident46 Ų46103.5 Ų103.547%0.47456%0.56SS.*SBendtrans163.1109.3166.900000105.8D199 G203D199-G201 PolarHBondContact O-N 3.33Å; G201-G203 PolarHBondContact O-N 2.76Å
202S47.4Very low71.2Confident85 Ų8597.8 Ų97.859%0.59456%0.555SS**  trans-25.4133.6175.814.70000111.6E204S202-E204 WeakPolarHBondContact O-CA 3.36Å; S202-E204 WeakPolarHBondContact O-CB 3.4Å; S202-E204 WeakPolarHBondContact O-CG 3.37Å; S202-E204 PolarHBondContact O-N 3.11Å; S202-E204 VanDerWaalsContact OG-CG 3.22Å; S202-E204 WeakPolarHBondContact OG-CG 3.45Å; S202-E204 PolarHBondContact OG-OE1 3.44Å
203G53.1Low71.9Confident82 Ų82102.5 Ų102.585%0.84557%0.568SS**  trans-57.384.3167.900000108.8G201 R205G201-G203 PolarHBondContact O-N 2.76Å; G203-R205 VanDerWaalsContact C-N 3.27Å; G203-R205 PolarHBondContact O-N 3.33Å
204E64Low72.6Confident101 Ų10197 Ų9747%0.47255%0.548SS..  trans-82.980.6-136.8-121.3166.1-135.800108.8S202 S206S202-E204 WeakPolarHBondContact O-CA 3.36Å; S202-E204 WeakPolarHBondContact O-CB 3.4Å; S202-E204 WeakPolarHBondContact O-CG 3.37Å; S202-E204 PolarHBondContact O-N 3.11Å; S202-E204 VanDerWaalsContact OG-CG 3.22Å; S202-E204 WeakPolarHBondContact OG-CG 3.45Å; S202-E204 PolarHBondContact OG-OE1 3.44Å; E204-S206 PolarHBondContact O-N 3.38Å
205R68.6Low73.4Confident204 Ų20491.3 Ų91.377%0.7752%0.522SS*.  trans-59.282.8154.3-68.6-172.3-175.6132.20.1106.3G203 D207 V214G203-R205 VanDerWaalsContact C-N 3.27Å; G203-R205 PolarHBondContact O-N 3.33Å; R205-D207 PolarHBondContact O-N 3.37Å; R205-V214 HydrophobicContact CB-CG1 3.76Å; R205-V214 HydrophobicContact CB-CG2 4.34Å; R205-V214 HydrophobicContact CG-CG1 3.93Å
206S83.9Confident74.4Confident18 Ų1894.7 Ų94.713%0.12653%0.525CS..EExtended strand (participates in β ladder)trans-81.1117.3177.655.30000106.9E204 V215 K220 A227E204-S206 PolarHBondContact O-N 3.38Å; S206-V215 WeakPolarHBondContact O-CB 3.24Å; S206-V215 WeakPolarHBondContact O-CG2 3.39Å; S206-V215 PolarHBondContact O-N 3.41Å; S206-K220 WeakPolarHBondContact OG-CE 3.5Å; S206-K220 PolarHBondContact OG-NZ 3.17Å; S206-A227 VanDerWaalsContact CB-CB 3.43Å; S206-A227 VanDerWaalsContact OG-CB 3.25Å; S206-A227 WeakPolarHBondContact OG-CB 3.26Å
207D91.9Very high75.5Confident92 Ų9291.4 Ų91.449%0.49252%0.522SS..EExtended strand (participates in β ladder)trans-75.1141.8177.5-60.8-34.1000110.2R205 A209 V214R205-D207 PolarHBondContact O-N 3.37Å; D207-A209 PolarHBondContact O-N 3.08Å; D207-V214 WeakPolarHBondContact OD1-CG2 3.5Å
208C93.8Very high77Confident2 Ų295 Ų951%0.01453%0.533CS..BIsolated β-bridgetrans-66.4123177.9-179.80000109.6I210 C211 G212 R213 V215 A227 H229C208-I210 PolarHBondContact O-N 3.49Å; C208-C211 VanDerWaalsContact CB-SG 3.56Å; C208-C211 PolarHBondContact O-N 3.41Å; C208-G212 VanDerWaalsContact O-CA 3.29Å; C208-G212 WeakPolarHBondContact O-CA 3.23Å; C208-G212 PolarHBondContact O-N 2.71Å; C208-R213 WeakPolarHBondContact CB-O 3.34Å; C208-R213 PolarHBondContact N-O 2.96Å; C208-V215 HydrophobicContact CB-CG2 3.56Å; C208-A227 VanDerWaalsContact CA-O 3.31Å; C208-A227 WeakPolarHBondContact CA-O 3.4Å; C208-H229 WeakPolarHBondContact CB-CE1 3.35Å; C208-H229 WeakPolarHBondContact CB-ND1 3.23Å; C208-H229 PolarHBondContact SG-ND1 3.4Å
209A90.8Very high78.8Confident58 Ų5890.8 Ų90.848%0.47951%0.513SS..THydrogen-bonded Turntrans-64.5-8.7-17900000114.4D207 K226 A227 F228D207-A209 PolarHBondContact O-N 3.08Å; A209-K226 HydrophobicContact CB-CB 4.15Å; A209-K226 HydrophobicContact CB-CD 3.94Å; A209-K226 HydrophobicContact CB-CG 4.39Å; A209-A227 PolarHBondContact N-O 3.33Å; A209-F228 HydrophobicContact CB-CD1 4.28Å; A209-F228 HydrophobicContact CB-CE1 3.7Å; A209-F228 HydrophobicContact CB-CZ 4.09Å
210I91.6Very high80.5Confident85 Ų8586.6 Ų86.644%0.43649%0.488SS..THydrogen-bonded Turntrans-101.9-47179.4-62.4170.1000111.8C208 F228 C232 L254C208-I210 PolarHBondContact O-N 3.49Å; I210-F228 HydrophobicContact CD1-CD1 3.62Å; I210-F228 HydrophobicContact CD1-CE1 3.96Å; I210-F228 HydrophobicContact CG1-CD1 3.82Å; I210-F228 HydrophobicContact CG1-CE1 3.91Å; I210-C232 HydrophobicContact CB-CB 4.22Å; I210-C232 HydrophobicContact CD1-CB 4.11Å; I210-C232 WeakPolarHBondContact CD1-O 3.28Å; I210-C232 HydrophobicContact CG2-CB 4.44Å; I210-L254 HydrophobicContact CD1-CD1 3.86Å
211C93.6Very high82.7Confident45 Ų4579.9 Ų79.930%0.30445%0.452SS..THydrogen-bonded Turntrans-107.3-6.8-176.274.80000114.7C208 R213 H229C208-C211 VanDerWaalsContact CB-SG 3.56Å; C208-C211 PolarHBondContact O-N 3.41Å; C211-R213 PolarHBondContact O-N 3.16Å; C211-R213 VanDerWaalsContact O-N 3.17Å; C211-H229 PolarHBondContact SG-CE1 2.81Å; C211-H229 PolarHBondContact SG-ND1 3.36Å
212G91.8Very high84.8Confident53 Ų5382.7 Ų82.755%0.54645%0.453SS..  trans69.84.3179.500000115.3C208C208-G212 VanDerWaalsContact O-CA 3.29Å; C208-G212 WeakPolarHBondContact O-CA 3.23Å; C208-G212 PolarHBondContact O-N 2.71Å
213R92.6Very high86.7Confident172 Ų17279.4 Ų79.465%0.64943%0.428SS*.SBendtrans-90.9150.1178.3-63.5-178.4-75.1-168.7-2.2111.1C208 C211 V215 H229C208-R213 WeakPolarHBondContact CB-O 3.34Å; C208-R213 PolarHBondContact N-O 2.96Å; C211-R213 PolarHBondContact O-N 3.16Å; C211-R213 VanDerWaalsContact O-N 3.17Å; R213-V215 PolarHBondContact O-N 3.47Å; R213-H229 PolarHBondContact O-CE1 3.35Å
214V92.6Very high88.2Confident48 Ų4881 Ų8129%0.29141%0.414SS..EExtended strand (participates in β ladder)trans-54.7132.3175.7-178.10000110.4R205 D207 H229R205-V214 HydrophobicContact CB-CG1 3.76Å; R205-V214 HydrophobicContact CB-CG2 4.34Å; R205-V214 HydrophobicContact CG-CG1 3.93Å; D207-V214 WeakPolarHBondContact OD1-CG2 3.5Å; V214-H229 PolarHBondContact O-NE2 2.89Å
215V92.8Very high89.2Confident4 Ų486.1 Ų86.12%0.02443%0.434CS..EExtended strand (participates in β ladder)trans-98.4117.7175.1-170.40000109.3S206 C208 R213 E219 K220 A227S206-V215 WeakPolarHBondContact O-CB 3.24Å; S206-V215 WeakPolarHBondContact O-CG2 3.39Å; S206-V215 PolarHBondContact O-N 3.41Å; C208-V215 HydrophobicContact CB-CG2 3.56Å; R213-V215 PolarHBondContact O-N 3.47Å; V215-E219 HydrophobicContact CG1-CB 4.47Å; V215-K220 VanDerWaalsContact CG1-CA 3.43Å; V215-K220 HydrophobicContact CG1-CB 3.85Å; V215-K220 HydrophobicContact CG1-CG 4.23Å; V215-A227 HydrophobicContact CG2-CB 4.32Å
216Y91.4Very high90.3Very high164 Ų16481 Ų8164%0.64342%0.418SS*.PPolyproline II helixtrans-74.7150175.3-66.8-76000111.2V218 E219 K220Y216-V218 PolarHBondContact O-N 2.98Å; Y216-E219 CarbonylContact O-C 3.52Å; Y216-E219 PolarHBondContact O-N 3.35Å; Y216-K220 PolarHBondContact O-N 3Å
217P89.3Confident90.7Very high111 Ų11180.4 Ų80.472%0.72141%0.414SS*.THydrogen-bonded Turntrans-51.6-35.5-175.9-29.635.6000115E219 K220P217-E219 VanDerWaalsContact C-N 3.32Å; P217-E219 PolarHBondContact O-N 3.45Å; P217-K220 PolarHBondContact O-N 3.19Å
218V90.5Very high90.7Very high127 Ų12776.6 Ų76.677%0.7739%0.393SS*.THydrogen-bonded Turntrans-63.5-37178.9178.60000112Y216 K230Y216-V218 PolarHBondContact O-N 2.98Å; V218-K230 WeakPolarHBondContact O-CE 3.11Å
219E89.5Confident90.7Very high92 Ų9277.4 Ų77.443%0.4340%0.397SS..THydrogen-bonded Turntrans-99.4-0.6-179.3-62.6-167.116500113.6V215 Y216 P217 L221 H229 K230V215-E219 HydrophobicContact CG1-CB 4.47Å; Y216-E219 CarbonylContact O-C 3.52Å; Y216-E219 PolarHBondContact O-N 3.35Å; P217-E219 VanDerWaalsContact C-N 3.32Å; P217-E219 PolarHBondContact O-N 3.45Å; E219-L221 PolarHBondContact O-N 2.98Å; E219-H229 IonicContact OE2-CD2 3.33Å; E219-H229 PolarHBondContact OE2-CD2 3.11Å; E219-K230 PolarHBondContact O-N 2.9Å; E219-K230 VanDerWaalsContact O-N 3.13Å
220K90.5Very high90.8Very high58 Ų5879.9 Ų79.925%0.25240%0.396SS..EExtended strand (participates in β ladder)trans-71116-172.1-170.6169173.9169.70111.7S206 V215 Y216 P217S206-K220 WeakPolarHBondContact OG-CE 3.5Å; S206-K220 PolarHBondContact OG-NZ 3.17Å; V215-K220 VanDerWaalsContact CG1-CA 3.43Å; V215-K220 HydrophobicContact CG1-CB 3.85Å; V215-K220 HydrophobicContact CG1-CG 4.23Å; Y216-K220 PolarHBondContact O-N 3Å; P217-K220 PolarHBondContact O-N 3.19Å
221L91.4Very high90.8Very high31 Ų3177.4 Ų77.416%0.16239%0.392CS..EExtended strand (participates in β ladder)trans-108.2114165.1-64.4-178.7000108.8E219 A227 F228 K230 F233E219-L221 PolarHBondContact O-N 2.98Å; L221-A227 CarbonylContact O-C 3.56Å; L221-A227 WeakPolarHBondContact O-CA 2.91Å; L221-F228 HydrophobicContact CB-CB 4.35Å; L221-F228 PolarHBondContact N-O 2.84Å; L221-F228 PolarHBondContact O-N 3.36Å; L221-K230 HydrophobicContact CD1-CB 4.37Å; L221-K230 HydrophobicContact CD1-CG 4.08Å; L221-K230 HydrophobicContact CD2-CG 4.21Å; L221-K230 HydrophobicContact CG-CG 3.94Å; L221-F233 HydrophobicContact CD1-CB 3.82Å; L221-F233 HydrophobicContact CD1-CD1 4.03Å; L221-F233 HydrophobicContact CD1-CG 4.04Å
222Q90.2Very high90.8Very high105 Ų10575.9 Ų75.949%0.49138%0.382SS..EExtended strand (participates in β ladder)trans-97.8117.2178.5-166102.5-17.100109.4K226Q222-K226 WeakPolarHBondContact CA-O 3.22Å
223L87.4Confident90.9Very high15 Ų1573.4 Ų73.48%0.07936%0.356CS..EExtended strand (participates in β ladder)trans-143.2137.1179.2-66.3168.1000109.8K225 K226 F228 F233 V244 Y247L223-K225 PolarHBondContact O-N 2.9Å; L223-K225 VanDerWaalsContact O-N 3.1Å; L223-K226 PolarHBondContact N-O 2.93Å; L223-K226 WeakPolarHBondContact O-CA 3.2Å; L223-K226 PolarHBondContact O-N 3.21Å; L223-K226 VanDerWaalsContact O-O 3.05Å; L223-F228 HydrophobicContact CB-CD2 4.38Å; L223-F228 HydrophobicContact CB-CE2 4.07Å; L223-F233 HydrophobicContact CD1-CD2 3.89Å; L223-F233 HydrophobicContact CD1-CE1 3.85Å; L223-F233 HydrophobicContact CD1-CE2 3.11Å; L223-F233 HydrophobicContact CD1-CZ 3.09Å; L223-V244 HydrophobicContact CD2-CG1 4.19Å; L223-V244 HydrophobicContact CD2-CG2 4.39Å; L223-Y247 HydrophobicContact CD1-CD1 4.46Å; L223-Y247 HydrophobicContact CD1-CE1 4.28Å; L223-Y247 HydrophobicContact CD1-CE2 4.47Å; L223-Y247 HydrophobicContact CD2-CE1 3.72Å
224E84.1Confident91Very high115 Ų11570.1 Ų70.154%0.53734%0.343SS..THydrogen-bonded Turntrans47.341.8177.9-60.6-176.7166.600114K226 S249E224-K226 PolarHBondContact O-N 3.12Å; E224-S249 VanDerWaalsContact CD-CB 3.42Å; E224-S249 WeakPolarHBondContact OE1-CB 3.03Å; E224-S249 WeakPolarHBondContact OE2-CB 3.02Å; E224-S249 PolarHBondContact OE2-OG 3.32Å
225K86Confident91.1Very high209 Ų20967.9 Ų67.991%0.90933%0.33SS*.THydrogen-bonded Turntrans63.614.7-176.6-50.5177.1178.3179.50115.2L223L223-K225 PolarHBondContact O-N 2.9Å; L223-K225 VanDerWaalsContact O-N 3.1Å
226K89.8Confident91Very high98 Ų9870.7 Ų70.743%0.42635%0.349SS..EExtended strand (participates in β ladder)trans-116.1152.7174.7-64.8178.4-178.8178.80110.6A209 Q222 L223 E224 F228A209-K226 HydrophobicContact CB-CB 4.15Å; A209-K226 HydrophobicContact CB-CD 3.94Å; A209-K226 HydrophobicContact CB-CG 4.39Å; Q222-K226 WeakPolarHBondContact CA-O 3.22Å; L223-K226 PolarHBondContact N-O 2.93Å; L223-K226 WeakPolarHBondContact O-CA 3.2Å; L223-K226 PolarHBondContact O-N 3.21Å; L223-K226 VanDerWaalsContact O-O 3.05Å; E224-K226 PolarHBondContact O-N 3.12Å; K226-F228 HydrophobicContact CB-CE2 3.72Å; K226-F228 HydrophobicContact CB-CZ 3.84Å; K226-F228 HydrophobicContact CD-CZ 4.31Å
227A92.2Very high91Very high4 Ų467.7 Ų67.73%0.03334%0.339CS..EExtended strand (participates in β ladder)trans-103.6147172.900000111.1S206 C208 A209 V215 L221S206-A227 VanDerWaalsContact CB-CB 3.43Å; S206-A227 VanDerWaalsContact OG-CB 3.25Å; S206-A227 WeakPolarHBondContact OG-CB 3.26Å; C208-A227 VanDerWaalsContact CA-O 3.31Å; C208-A227 WeakPolarHBondContact CA-O 3.4Å; A209-A227 PolarHBondContact N-O 3.33Å; V215-A227 HydrophobicContact CG2-CB 4.32Å; L221-A227 CarbonylContact O-C 3.56Å; L221-A227 WeakPolarHBondContact O-CA 2.91Å
228F93.4Very high91.2Very high13 Ų1365 Ų656%0.05732%0.322CS..EExtended strand (participates in β ladder)trans-139.4146.5178.1-55.6-88.7000109.8A209 I210 L221 L223 K226 F233 L254A209-F228 HydrophobicContact CB-CD1 4.28Å; A209-F228 HydrophobicContact CB-CE1 3.7Å; A209-F228 HydrophobicContact CB-CZ 4.09Å; I210-F228 HydrophobicContact CD1-CD1 3.62Å; I210-F228 HydrophobicContact CD1-CE1 3.96Å; I210-F228 HydrophobicContact CG1-CD1 3.82Å; I210-F228 HydrophobicContact CG1-CE1 3.91Å; L221-F228 HydrophobicContact CB-CB 4.35Å; L221-F228 PolarHBondContact N-O 2.84Å; L221-F228 PolarHBondContact O-N 3.36Å; L223-F228 HydrophobicContact CB-CD2 4.38Å; L223-F228 HydrophobicContact CB-CE2 4.07Å; K226-F228 HydrophobicContact CB-CE2 3.72Å; K226-F228 HydrophobicContact CB-CZ 3.84Å; K226-F228 HydrophobicContact CD-CZ 4.31Å; F228-F233 HydrophobicContact CB-CB 4.38Å; F228-F233 HydrophobicContact CB-CD2 4.37Å; F228-F233 HydrophobicContact CD2-CD2 4.34Å; F228-F233 HydrophobicContact CG-CD2 4.18Å; F228-L254 HydrophobicContact CD1-CD1 4.38Å; F228-L254 HydrophobicContact CE1-CD1 4.09Å
229H94Very high91.3Very high19 Ų1964.6 Ų64.69%0.08832%0.315CS..EExtended strand (participates in β ladder)trans-69145.3162.9-5798.2000109.6C208 C211 R213 V214 E219 G231 C232 F233C208-H229 WeakPolarHBondContact CB-CE1 3.35Å; C208-H229 WeakPolarHBondContact CB-ND1 3.23Å; C208-H229 PolarHBondContact SG-ND1 3.4Å; C211-H229 PolarHBondContact SG-CE1 2.81Å; C211-H229 PolarHBondContact SG-ND1 3.36Å; R213-H229 PolarHBondContact O-CE1 3.35Å; V214-H229 PolarHBondContact O-NE2 2.89Å; E219-H229 IonicContact OE2-CD2 3.33Å; E219-H229 PolarHBondContact OE2-CD2 3.11Å; H229-G231 PolarHBondContact O-N 2.89Å; H229-G231 VanDerWaalsContact O-N 3.15Å; H229-C232 HydrophobicContact CB-CB 4Å; H229-C232 PolarHBondContact O-N 2.68Å; H229-F233 PolarHBondContact O-N 3.37Å; H229-F233 VanDerWaalsContact O-N 3.09Å
230K91.8Very high91.4Very high110 Ų11067.1 Ų67.148%0.47833%0.325SS..THydrogen-bonded Turntrans-49-39.7170.7-69175.3-168.2-760112.7V218 E219 L221V218-K230 WeakPolarHBondContact O-CE 3.11Å; E219-K230 PolarHBondContact O-N 2.9Å; E219-K230 VanDerWaalsContact O-N 3.13Å; L221-K230 HydrophobicContact CD1-CB 4.37Å; L221-K230 HydrophobicContact CD1-CG 4.08Å; L221-K230 HydrophobicContact CD2-CG 4.21Å; L221-K230 HydrophobicContact CG-CG 3.94Å
231G92.1Very high91.5Very high33 Ų3369.3 Ų69.334%0.3434%0.339SS..THydrogen-bonded Turntrans-72.1-36.5176.500000113.6H229 F233 R234H229-G231 PolarHBondContact O-N 2.89Å; H229-G231 VanDerWaalsContact O-N 3.15Å; G231-F233 VanDerWaalsContact C-N 3.34Å; G231-R234 WeakPolarHBondContact O-CD 3.49Å; G231-R234 WeakPolarHBondContact O-CG 3.5Å; G231-R234 PolarHBondContact O-NE 3.05Å; G231-R234 PolarHBondContact O-NH1 2.89Å
232C93.2Very high91.6Very high13 Ų1368.6 Ų68.69%0.08834%0.335CS..THydrogen-bonded Turntrans-73.8-25.7-177.7-70.40000113I210 H229 R234I210-C232 HydrophobicContact CB-CB 4.22Å; I210-C232 HydrophobicContact CD1-CB 4.11Å; I210-C232 WeakPolarHBondContact CD1-O 3.28Å; I210-C232 HydrophobicContact CG2-CB 4.44Å; H229-C232 HydrophobicContact CB-CB 4Å; H229-C232 PolarHBondContact O-N 2.68Å; C232-R234 VanDerWaalsContact C-N 3.3Å; C232-R234 PolarHBondContact O-N 3.41Å
233F93.8Very high91.7Very high0 Ų065.9 Ų65.90%033%0.328CS..  trans-70.581.7-177-167.5-116.7000111.7L221 L223 F228 H229 G231 L242 Y247 L254L221-F233 HydrophobicContact CD1-CB 3.82Å; L221-F233 HydrophobicContact CD1-CD1 4.03Å; L221-F233 HydrophobicContact CD1-CG 4.04Å; L223-F233 HydrophobicContact CD1-CD2 3.89Å; L223-F233 HydrophobicContact CD1-CE1 3.85Å; L223-F233 HydrophobicContact CD1-CE2 3.11Å; L223-F233 HydrophobicContact CD1-CZ 3.09Å; F228-F233 HydrophobicContact CB-CB 4.38Å; F228-F233 HydrophobicContact CB-CD2 4.37Å; F228-F233 HydrophobicContact CD2-CD2 4.34Å; F228-F233 HydrophobicContact CG-CD2 4.18Å; H229-F233 PolarHBondContact O-N 3.37Å; H229-F233 VanDerWaalsContact O-N 3.09Å; G231-F233 VanDerWaalsContact C-N 3.34Å; F233-L242 HydrophobicContact CD1-CB 3.56Å; F233-L242 WeakPolarHBondContact CD1-O 3.27Å; F233-L242 HydrophobicContact CE1-CB 3.34Å; F233-L242 HydrophobicContact CG-CB 4.34Å; F233-L242 HydrophobicContact CZ-CB 3.98Å; F233-L242 PolarHBondContact O-N 3.45Å; F233-Y247 HydrophobicContact CE1-CD1 4.45Å; F233-Y247 HydrophobicContact CE1-CG 4.25Å; F233-Y247 HydrophobicContact CE2-CD2 4.48Å; F233-Y247 HydrophobicContact CE2-CG 4.45Å; F233-Y247 AromaticContact CZ-CD1 3.94Å; F233-Y247 HydrophobicContact CZ-CD1 3.94Å; F233-Y247 AromaticContact CZ-CD2 3.92Å; F233-Y247 HydrophobicContact CZ-CD2 3.92Å; F233-Y247 AromaticContact CZ-CG 3.49Å; F233-Y247 HydrophobicContact CZ-CG 3.49Å; F233-Y247 VanDerWaalsContact CZ-CG 3.49Å; F233-L254 HydrophobicContact CD2-CD1 3.34Å; F233-L254 HydrophobicContact CD2-CD2 4.45Å; F233-L254 HydrophobicContact CD2-CG 4.5Å; F233-L254 HydrophobicContact CE2-CD1 3.45Å; F233-L254 VanDerWaalsContact CE2-CD1 3.45Å; F233-L254 HydrophobicContact CE2-CD2 3.72Å; F233-L254 HydrophobicContact CE2-CG 4.18Å; F233-L254 HydrophobicContact CG-CD1 4.38Å
234R94.3Very high91.8Very high103 Ų10369.5 Ų69.539%0.38935%0.351SS..BIsolated β-bridgetrans-133.2151.8-171.8-66.9179.6-63.5-125.58.3111.6G231 C232 L239 K240G231-R234 WeakPolarHBondContact O-CD 3.49Å; G231-R234 WeakPolarHBondContact O-CG 3.5Å; G231-R234 PolarHBondContact O-NE 3.05Å; G231-R234 PolarHBondContact O-NH1 2.89Å; C232-R234 VanDerWaalsContact C-N 3.3Å; C232-R234 PolarHBondContact O-N 3.41Å; R234-L239 WeakPolarHBondContact CD-O 3.48Å; R234-K240 VanDerWaalsContact CA-O 3.29Å; R234-K240 WeakPolarHBondContact CA-O 3.44Å
235C94.5Very high92.1Very high1 Ų171.4 Ų71.41%0.00736%0.359CS..  trans-68.4133176.5177.70000111.7K237 C238 L239 K240 L242 L254 C256 H259C235-K237 PolarHBondContact O-N 3.06Å; C235-K237 PolarHBondContact SG-N 2.91Å; C235-K237 VanDerWaalsContact SG-N 3.39Å; C235-C238 WeakPolarHBondContact CB-SG 3.43Å; C235-C238 VanDerWaalsContact SG-SG 3.65Å; C235-L239 WeakPolarHBondContact O-CA 3.42Å; C235-L239 PolarHBondContact O-N 3.38Å; C235-K240 PolarHBondContact N-O 3.27Å; C235-L242 HydrophobicContact CB-CD1 4.18Å; C235-L242 HydrophobicContact CB-CD2 4.09Å; C235-L242 HydrophobicContact CB-CG 4.24Å; C235-L254 CarbonylContact C-O 3.56Å; C235-L254 WeakPolarHBondContact CA-O 3.47Å; C235-C256 HydrophobicContact CB-CB 4.41Å; C235-C256 PolarHBondContact SG-N 3.41Å; C235-C256 VanDerWaalsContact SG-N 3.37Å; C235-H259 PolarHBondContact SG-ND1 2.9Å
236C92.4Very high92.3Very high63 Ų6365.5 Ų65.543%0.42634%0.338SS..THydrogen-bonded Turntrans-63.9-22.3177.9-64.10000114.5L254 Y255C236-L254 PolarHBondContact N-O 3.15Å; C236-L254 PolarHBondContact SG-O 3.39Å; C236-Y255 HydrophobicContact CB-CE1 4.05Å
237K91.3Very high92.5Very high101 Ų10163.5 Ų63.544%0.43933%0.328SS..THydrogen-bonded Turntrans-93.8-51.2179.6-72.9-162.5-172.9-171.60113.9C235 Y255 H259C235-K237 PolarHBondContact O-N 3.06Å; C235-K237 PolarHBondContact SG-N 2.91Å; C235-K237 VanDerWaalsContact SG-N 3.39Å; K237-Y255 HydrophobicContact CG-CD1 4.21Å; K237-Y255 HydrophobicContact CG-CE1 4.02Å; K237-H259 HydrophobicContact CB-CB 4.37Å; K237-H259 VanDerWaalsContact CB-ND1 3.31Å; K237-H259 WeakPolarHBondContact CB-ND1 3.27Å; K237-H259 HydrophobicContact CD-CB 4.14Å
238C93Very high92.5Very high54 Ų5464.8 Ų64.837%0.36534%0.337SS..THydrogen-bonded Turntrans-98.6-5.7-179.9490000114.3C235 K240 H259C235-C238 WeakPolarHBondContact CB-SG 3.43Å; C235-C238 VanDerWaalsContact SG-SG 3.65Å; C238-K240 HydrophobicContact CB-CB 4.39Å; C238-K240 PolarHBondContact O-N 3.1Å; C238-K240 VanDerWaalsContact SG-CB 3.58Å; C238-H259 WeakPolarHBondContact CB-CE1 3.49Å; C238-H259 PolarHBondContact N-CE1 3.28Å; C238-H259 PolarHBondContact SG-CE1 2.93Å; C238-H259 PolarHBondContact SG-ND1 3.26Å; C238-H259 VanDerWaalsContact SG-ND1 3.41Å
239L92.1Very high92.4Very high119 Ų11965.4 Ų65.462%0.62334%0.343SS*.  trans57.410.6-174-53.9175.2000114.6R234 C235R234-L239 WeakPolarHBondContact CD-O 3.48Å; C235-L239 WeakPolarHBondContact O-CA 3.42Å; C235-L239 PolarHBondContact O-N 3.38Å
240K92.1Very high92.3Very high146 Ų14666.9 Ų66.964%0.63535%0.35SS*.PPolyproline II helixtrans-66.8136.4176.7-171.4174.4-67.2-170.20110.2R234 C235 C238 L242R234-K240 VanDerWaalsContact CA-O 3.29Å; R234-K240 WeakPolarHBondContact CA-O 3.44Å; C235-K240 PolarHBondContact N-O 3.27Å; C238-K240 HydrophobicContact CB-CB 4.39Å; C238-K240 PolarHBondContact O-N 3.1Å; C238-K240 VanDerWaalsContact SG-CB 3.58Å; K240-L242 PolarHBondContact O-N 3.47Å
241N93.4Very high92.1Very high103 Ų10369.5 Ų69.555%0.55136%0.364SS*.BIsolated β-bridgetrans-57.5123.5172.4-69.142.2000109.7
242L93.5Very high91.8Very high16 Ų1670.4 Ų70.48%0.08437%0.373CS..PPolyproline II helixtrans-88.7156.6177.1-63.9174.9000108.7F233 C235 K240 L254 C256F233-L242 HydrophobicContact CD1-CB 3.56Å; F233-L242 WeakPolarHBondContact CD1-O 3.27Å; F233-L242 HydrophobicContact CE1-CB 3.34Å; F233-L242 HydrophobicContact CG-CB 4.34Å; F233-L242 HydrophobicContact CZ-CB 3.98Å; F233-L242 PolarHBondContact O-N 3.45Å; C235-L242 HydrophobicContact CB-CD1 4.18Å; C235-L242 HydrophobicContact CB-CD2 4.09Å; C235-L242 HydrophobicContact CB-CG 4.24Å; K240-L242 PolarHBondContact O-N 3.47Å; L242-L254 HydrophobicContact CD1-CB 3.81Å; L242-C256 HydrophobicContact CD2-CB 3.65Å
243S91.1Very high91.7Very high49 Ų4976.9 Ų76.934%0.34340%0.395SS..  trans-120.2164.2168.571.30000108.4Q245 N246 Y247S243-Q245 PolarHBondContact O-N 3.1Å; S243-Q245 PolarHBondContact OG-N 2.84Å; S243-N246 PolarHBondContact O-N 3.18Å; S243-N246 PolarHBondContact OG-N 2.76Å; S243-Y247 PolarHBondContact O-N 3.02Å
244V89.7Confident91.6Very high90 Ų9077.4 Ų77.455%0.54540%0.398SS..THydrogen-bonded Turntrans-54.1-23.2176.5-175.90000111.9L223 Y247L223-V244 HydrophobicContact CD2-CG1 4.19Å; L223-V244 HydrophobicContact CD2-CG2 4.39Å; V244-Y247 HydrophobicContact CG1-CE1 4.38Å; V244-Y247 VanDerWaalsContact O-CD1 3.22Å; V244-Y247 WeakPolarHBondContact O-CD1 3.18Å; V244-Y247 VanDerWaalsContact O-CE1 3.26Å; V244-Y247 WeakPolarHBondContact O-CE1 3.37Å
245Q90.4Very high91.6Very high155 Ų15573.5 Ų73.572%0.72438%0.384SS*.THydrogen-bonded Turntrans-89.1-24.3178.3-65-178.3-20.900114.5S243 K257S243-Q245 PolarHBondContact O-N 3.1Å; S243-Q245 PolarHBondContact OG-N 2.84Å; Q245-K257 WeakPolarHBondContact O-CE 3.41Å; Q245-K257 PolarHBondContact O-NZ 3.09Å
246N90.7Very high91.5Very high86 Ų8674.4 Ų74.446%0.4639%0.39SS..THydrogen-bonded Turntrans-115.28.3-168.4-69.5-17000114.1S243 K257S243-N246 PolarHBondContact O-N 3.18Å; S243-N246 PolarHBondContact OG-N 2.76Å; N246-K257 PolarHBondContact O-N 2.96Å
247Y92.9Very high91.5Very high56 Ų5676.6 Ų76.622%0.2239%0.392CS..EExtended strand (participates in β ladder)trans-96.9158.7179.389.6-83.9000112.7L223 F233 S243 V244 L254 Y255L223-Y247 HydrophobicContact CD1-CD1 4.46Å; L223-Y247 HydrophobicContact CD1-CE1 4.28Å; L223-Y247 HydrophobicContact CD1-CE2 4.47Å; L223-Y247 HydrophobicContact CD2-CE1 3.72Å; F233-Y247 HydrophobicContact CE1-CD1 4.45Å; F233-Y247 HydrophobicContact CE1-CG 4.25Å; F233-Y247 HydrophobicContact CE2-CD2 4.48Å; F233-Y247 HydrophobicContact CE2-CG 4.45Å; F233-Y247 AromaticContact CZ-CD1 3.94Å; F233-Y247 HydrophobicContact CZ-CD1 3.94Å; F233-Y247 AromaticContact CZ-CD2 3.92Å; F233-Y247 HydrophobicContact CZ-CD2 3.92Å; F233-Y247 AromaticContact CZ-CG 3.49Å; F233-Y247 HydrophobicContact CZ-CG 3.49Å; F233-Y247 VanDerWaalsContact CZ-CG 3.49Å; S243-Y247 PolarHBondContact O-N 3.02Å; V244-Y247 HydrophobicContact CG1-CE1 4.38Å; V244-Y247 VanDerWaalsContact O-CD1 3.22Å; V244-Y247 WeakPolarHBondContact O-CD1 3.18Å; V244-Y247 VanDerWaalsContact O-CE1 3.26Å; V244-Y247 WeakPolarHBondContact O-CE1 3.37Å; Y247-L254 HydrophobicContact CD2-CD2 4.49Å; Y247-Y255 CarbonylContact C-O 3.58Å; Y247-Y255 WeakPolarHBondContact CA-O 3.29Å
248S93Very high91.4Very high31 Ų3174.5 Ų74.522%0.21739%0.387CS..EExtended strand (participates in β ladder)trans-145.7134.9165.6-56.10000108Y255S248-Y255 PolarHBondContact N-O 2.84Å; S248-Y255 PolarHBondContact O-N 3.34Å
249S91.9Very high91.3Very high26 Ų2673.3 Ų73.318%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-100133.3179.8-170.40000109.5E224 R253 M260E224-S249 VanDerWaalsContact CD-CB 3.42Å; E224-S249 WeakPolarHBondContact OE1-CB 3.03Å; E224-S249 WeakPolarHBondContact OE2-CB 3.02Å; E224-S249 PolarHBondContact OE2-OG 3.32Å; S249-R253 WeakPolarHBondContact CA-O 2.96Å; S249-M260 VanDerWaalsContact O-CE 3.23Å; S249-M260 WeakPolarHBondContact O-CE 3.38Å
250H90.8Very high91.2Very high49 Ų4969.2 Ų69.223%0.22735%0.354CS..EExtended strand (participates in β ladder)trans-137.5125.9172.7-172-104.7000109.6G252 R253 Y255 M260 F264H250-G252 PolarHBondContact O-N 3.18Å; H250-R253 PolarHBondContact N-O 2.87Å; H250-R253 WeakPolarHBondContact O-CB 3.41Å; H250-R253 PolarHBondContact O-N 2.97Å; H250-Y255 HydrophobicContact CB-CD2 3.99Å; H250-Y255 HydrophobicContact CB-CE2 3.87Å; H250-M260 HydrophobicContact CB-CE 3.79Å; H250-M260 HydrophobicContact CB-SD 3.8Å; H250-F264 AromaticContact CD2-CE2 3.79Å; H250-F264 AromaticContact CD2-CZ 3.22Å; H250-F264 WeakPolarHBondContact CD2-CZ 3.21Å; H250-F264 AromaticContact NE2-CE1 3.8Å; H250-F264 AromaticContact NE2-CZ 3.28Å; H250-F264 VanDerWaalsContact NE2-CZ 3.28Å; H250-F264 WeakPolarHBondContact NE2-CZ 3.23Å
251E88Confident91.1Very high166 Ų16666.2 Ų66.278%0.77634%0.343SS*.THydrogen-bonded Turntrans50.932.5178.4-65.7172.917200113.6R253E251-R253 VanDerWaalsContact C-N 3.3Å; E251-R253 PolarHBondContact O-N 3.17Å
252G85.7Confident90.8Very high51 Ų5162.7 Ų62.753%0.52632%0.324SS..THydrogen-bonded Turntrans77.38-177.800000115.4H250H250-G252 PolarHBondContact O-N 3.18Å
253R90.2Very high90.5Very high150 Ų15065.2 Ų65.257%0.56634%0.337SS*.EExtended strand (participates in β ladder)trans-105.2150.8171.6-64.1-178.5-172.5-129.44110.9S249 H250 E251 Y255S249-R253 WeakPolarHBondContact CA-O 2.96Å; H250-R253 PolarHBondContact N-O 2.87Å; H250-R253 WeakPolarHBondContact O-CB 3.41Å; H250-R253 PolarHBondContact O-N 2.97Å; E251-R253 VanDerWaalsContact C-N 3.3Å; E251-R253 PolarHBondContact O-N 3.17Å; R253-Y255 HydrophobicContact CB-CD2 4.49Å; R253-Y255 HydrophobicContact CB-CE2 3.59Å; R253-Y255 WeakPolarHBondContact CD-OH 3.41Å
254L93.1Very high90.3Very high11 Ų1168.1 Ų68.16%0.05834%0.344CS..EExtended strand (participates in β ladder)trans-101.2129.6-176.6-59.9174.3000111.4I210 F228 F233 C235 C236 L242 Y247I210-L254 HydrophobicContact CD1-CD1 3.86Å; F228-L254 HydrophobicContact CD1-CD1 4.38Å; F228-L254 HydrophobicContact CE1-CD1 4.09Å; F233-L254 HydrophobicContact CD2-CD1 3.34Å; F233-L254 HydrophobicContact CD2-CD2 4.45Å; F233-L254 HydrophobicContact CD2-CG 4.5Å; F233-L254 HydrophobicContact CE2-CD1 3.45Å; F233-L254 VanDerWaalsContact CE2-CD1 3.45Å; F233-L254 HydrophobicContact CE2-CD2 3.72Å; F233-L254 HydrophobicContact CE2-CG 4.18Å; F233-L254 HydrophobicContact CG-CD1 4.38Å; C235-L254 CarbonylContact C-O 3.56Å; C235-L254 WeakPolarHBondContact CA-O 3.47Å; C236-L254 PolarHBondContact N-O 3.15Å; C236-L254 PolarHBondContact SG-O 3.39Å; L242-L254 HydrophobicContact CD1-CB 3.81Å; Y247-L254 HydrophobicContact CD2-CD2 4.49Å
255Y93.6Very high90Very high21 Ų2168.8 Ų68.88%0.08234%0.341CS..EExtended strand (participates in β ladder)trans-125.6152.3177.8-60.5-81.8000111C236 K237 Y247 S248 H250 R253 H259 M260 L263C236-Y255 HydrophobicContact CB-CE1 4.05Å; K237-Y255 HydrophobicContact CG-CD1 4.21Å; K237-Y255 HydrophobicContact CG-CE1 4.02Å; Y247-Y255 CarbonylContact C-O 3.58Å; Y247-Y255 WeakPolarHBondContact CA-O 3.29Å; S248-Y255 PolarHBondContact N-O 2.84Å; S248-Y255 PolarHBondContact O-N 3.34Å; H250-Y255 HydrophobicContact CB-CD2 3.99Å; H250-Y255 HydrophobicContact CB-CE2 3.87Å; R253-Y255 HydrophobicContact CB-CD2 4.49Å; R253-Y255 HydrophobicContact CB-CE2 3.59Å; R253-Y255 WeakPolarHBondContact CD-OH 3.41Å; Y255-H259 HydrophobicContact CD1-CB 4.3Å; Y255-M260 HydrophobicContact CD2-SD 4.28Å; Y255-L263 HydrophobicContact CD1-CD1 3.73Å; Y255-L263 HydrophobicContact CD2-CD1 3.84Å; Y255-L263 HydrophobicContact CE1-CD1 3.57Å; Y255-L263 HydrophobicContact CE2-CD1 3.68Å; Y255-L263 HydrophobicContact CG-CD1 3.86Å
256C93.8Very high89.3Confident20 Ų2065.8 Ų65.814%0.13534%0.335CS..EExtended strand (participates in β ladder)trans-75.7159.4162.466.30000109C235 L242 V258 H259 M260C235-C256 HydrophobicContact CB-CB 4.41Å; C235-C256 PolarHBondContact SG-N 3.41Å; C235-C256 VanDerWaalsContact SG-N 3.37Å; L242-C256 HydrophobicContact CD2-CB 3.65Å; C256-V258 PolarHBondContact O-N 3.02Å; C256-H259 PolarHBondContact O-N 3.12Å; C256-H259 VanDerWaalsContact SG-CB 3.57Å; C256-H259 PolarHBondContact SG-N 3.36Å; C256-H259 VanDerWaalsContact SG-N 3.42Å; C256-H259 PolarHBondContact SG-ND1 2.64Å; C256-M260 PolarHBondContact O-N 3.02Å
257K90.5Very high88.3Confident109 Ų10969.9 Ų69.947%0.47435%0.351SS..Hα-helixtrans-50-44.1179.4-68.8179.3178.1167.40113.2Q245 N246 M260 M261Q245-K257 WeakPolarHBondContact O-CE 3.41Å; Q245-K257 PolarHBondContact O-NZ 3.09Å; N246-K257 PolarHBondContact O-N 2.96Å; K257-M260 PolarHBondContact O-N 2.78Å; K257-M261 WeakPolarHBondContact O-CG 3.5Å; K257-M261 PolarHBondContact O-N 3.08Å
258V89.9Confident87.1Confident56 Ų5671.1 Ų71.134%0.33936%0.361SS..Hα-helixtrans-58.4-54.2177.5-178.30000110.3C256 M260 M261 Q262 F272C256-V258 PolarHBondContact O-N 3.02Å; V258-M260 VanDerWaalsContact C-N 3.3Å; V258-M260 PolarHBondContact O-N 2.99Å; V258-M261 WeakPolarHBondContact O-CB 3.44Å; V258-M261 PolarHBondContact O-N 3.5Å; V258-M261 VanDerWaalsContact O-N 3.15Å; V258-Q262 WeakPolarHBondContact O-CG 3.33Å; V258-Q262 PolarHBondContact O-N 3.28Å; V258-F272 HydrophobicContact CG1-CB 4.26Å; V258-F272 HydrophobicContact CG1-CG 4.21Å
259H91.2Very high85.6Confident30 Ų3070.1 Ų70.114%0.13936%0.355CS..Hα-helixtrans-68.6-27.7-177.8-68.1165.8000114.2C235 K237 C238 Y255 C256 Q262 L263C235-H259 PolarHBondContact SG-ND1 2.9Å; K237-H259 HydrophobicContact CB-CB 4.37Å; K237-H259 VanDerWaalsContact CB-ND1 3.31Å; K237-H259 WeakPolarHBondContact CB-ND1 3.27Å; K237-H259 HydrophobicContact CD-CB 4.14Å; C238-H259 WeakPolarHBondContact CB-CE1 3.49Å; C238-H259 PolarHBondContact N-CE1 3.28Å; C238-H259 PolarHBondContact SG-CE1 2.93Å; C238-H259 PolarHBondContact SG-ND1 3.26Å; C238-H259 VanDerWaalsContact SG-ND1 3.41Å; Y255-H259 HydrophobicContact CD1-CB 4.3Å; C256-H259 PolarHBondContact O-N 3.12Å; C256-H259 VanDerWaalsContact SG-CB 3.57Å; C256-H259 PolarHBondContact SG-N 3.36Å; C256-H259 VanDerWaalsContact SG-N 3.42Å; C256-H259 PolarHBondContact SG-ND1 2.64Å; H259-Q262 PolarHBondContact CD2-OE1 3.38Å; H259-Q262 VanDerWaalsContact CD2-OE1 3.24Å; H259-L263 WeakPolarHBondContact O-CG 3.17Å; H259-L263 PolarHBondContact O-N 2.85Å
260M90.9Very high84.2Confident32 Ų3274.5 Ų74.516%0.15838%0.376CS..Hα-helixtrans-65.1-46.9170.8-169.569.4156.100110.4S249 H250 Y255 C256 K257 V258 Q262 L263 F264S249-M260 VanDerWaalsContact O-CE 3.23Å; S249-M260 WeakPolarHBondContact O-CE 3.38Å; H250-M260 HydrophobicContact CB-CE 3.79Å; H250-M260 HydrophobicContact CB-SD 3.8Å; Y255-M260 HydrophobicContact CD2-SD 4.28Å; C256-M260 PolarHBondContact O-N 3.02Å; K257-M260 PolarHBondContact O-N 2.78Å; V258-M260 VanDerWaalsContact C-N 3.3Å; V258-M260 PolarHBondContact O-N 2.99Å; M260-Q262 VanDerWaalsContact C-N 3.31Å; M260-Q262 PolarHBondContact O-N 2.88Å; M260-L263 WeakPolarHBondContact O-CB 3.44Å; M260-L263 PolarHBondContact O-N 3.32Å; M260-L263 VanDerWaalsContact O-N 3.1Å; M260-F264 HydrophobicContact CE-CE2 3.71Å; M260-F264 HydrophobicContact CE-CZ 4.48Å; M260-F264 HydrophobicContact CG-CD2 4.36Å; M260-F264 HydrophobicContact CG-CE2 4.25Å; M260-F264 WeakPolarHBondContact O-CD2 3.42Å; M260-F264 PolarHBondContact O-N 3.34Å; M260-F264 HydrophobicContact SD-CD2 4.38Å; M260-F264 HydrophobicContact SD-CE2 3.8Å
261M89.2Confident82.8Confident83 Ų8374.9 Ų74.941%0.40939%0.387SS..Hα-helixtrans-60.7-41.2175.3-69.1174.666.800111.8K257 V258 L263 F264 H265 F272K257-M261 WeakPolarHBondContact O-CG 3.5Å; K257-M261 PolarHBondContact O-N 3.08Å; V258-M261 WeakPolarHBondContact O-CB 3.44Å; V258-M261 PolarHBondContact O-N 3.5Å; V258-M261 VanDerWaalsContact O-N 3.15Å; M261-L263 PolarHBondContact O-N 3.36Å; M261-F264 PolarHBondContact O-N 3.27Å; M261-H265 CarbonylContact O-C 3.53Å; M261-H265 WeakPolarHBondContact O-CA 3.3Å; M261-H265 PolarHBondContact O-N 3.12Å; M261-F272 HydrophobicContact CE-CE2 3.93Å; M261-F272 HydrophobicContact CE-CZ 4.12Å; M261-F272 HydrophobicContact SD-CE2 4.43Å; M261-F272 HydrophobicContact SD-CZ 4.39Å
262Q87.4Confident81.6Confident30 Ų3070.4 Ų70.414%0.1437%0.365CS..Hα-helixtrans-63.9-24.5176.7-63.8-174.6-23.600113.6V258 H259 M260 A269V258-Q262 WeakPolarHBondContact O-CG 3.33Å; V258-Q262 PolarHBondContact O-N 3.28Å; H259-Q262 PolarHBondContact CD2-OE1 3.38Å; H259-Q262 VanDerWaalsContact CD2-OE1 3.24Å; M260-Q262 VanDerWaalsContact C-N 3.31Å; M260-Q262 PolarHBondContact O-N 2.88Å; Q262-A269 HydrophobicContact CB-CB 3.91Å; Q262-A269 HydrophobicContact CG-CB 3.47Å; Q262-A269 VanDerWaalsContact CG-CB 3.47Å
263L87.1Confident80.5Confident68 Ų6871.3 Ų71.336%0.35636%0.358SS..Hα-helixtrans-75.7-37.5176.8-78.1170.5000112.6Y255 H259 M260 M261Y255-L263 HydrophobicContact CD1-CD1 3.73Å; Y255-L263 HydrophobicContact CD2-CD1 3.84Å; Y255-L263 HydrophobicContact CE1-CD1 3.57Å; Y255-L263 HydrophobicContact CE2-CD1 3.68Å; Y255-L263 HydrophobicContact CG-CD1 3.86Å; H259-L263 WeakPolarHBondContact O-CG 3.17Å; H259-L263 PolarHBondContact O-N 2.85Å; M260-L263 WeakPolarHBondContact O-CB 3.44Å; M260-L263 PolarHBondContact O-N 3.32Å; M260-L263 VanDerWaalsContact O-N 3.1Å; M261-L263 PolarHBondContact O-N 3.36Å
264F86.8Confident79.1Confident110 Ų11073.3 Ų73.348%0.48237%0.366SS..Hα-helixtrans-95-28.5-177.5-71-74.8000113.8H250 M260 M261H250-F264 AromaticContact CD2-CE2 3.79Å; H250-F264 AromaticContact CD2-CZ 3.22Å; H250-F264 WeakPolarHBondContact CD2-CZ 3.21Å; H250-F264 AromaticContact NE2-CE1 3.8Å; H250-F264 AromaticContact NE2-CZ 3.28Å; H250-F264 VanDerWaalsContact NE2-CZ 3.28Å; H250-F264 WeakPolarHBondContact NE2-CZ 3.23Å; M260-F264 HydrophobicContact CE-CE2 3.71Å; M260-F264 HydrophobicContact CE-CZ 4.48Å; M260-F264 HydrophobicContact CG-CD2 4.36Å; M260-F264 HydrophobicContact CG-CE2 4.25Å; M260-F264 WeakPolarHBondContact O-CD2 3.42Å; M260-F264 PolarHBondContact O-N 3.34Å; M260-F264 HydrophobicContact SD-CD2 4.38Å; M260-F264 HydrophobicContact SD-CE2 3.8Å; M261-F264 PolarHBondContact O-N 3.27Å
265H83.7Confident77.6Confident105 Ų10579.1 Ų79.149%0.48639%0.392SS..  trans-132.574.9-177.2-57.9-69.8000109.4M261 E267 N268 A269M261-H265 CarbonylContact O-C 3.53Å; M261-H265 WeakPolarHBondContact O-CA 3.3Å; M261-H265 PolarHBondContact O-N 3.12Å; H265-E267 PolarHBondContact O-N 2.79Å; H265-N268 HydrophobicContact CB-CB 4.08Å; H265-N268 PolarHBondContact O-N 2.99Å; H265-N268 VanDerWaalsContact O-N 3.09Å; H265-A269 PolarHBondContact O-N 3.1Å
266P75.3Confident76.1Confident92 Ų9281.4 Ų81.460%0.59741%0.412SS*.Hα-helixtrans-61.1-28.4179.525.4-34.3000112.2N268 A269P266-N268 VanDerWaalsContact C-N 3.28Å; P266-N268 PolarHBondContact O-N 2.86Å; P266-A269 WeakPolarHBondContact O-CB 3.03Å; P266-A269 PolarHBondContact O-N 2.77Å; P266-A269 VanDerWaalsContact O-N 3.13Å
267E70.3Confident74.8Confident172 Ų17286.6 Ų86.680%0.80443%0.434SS*.Hα-helixtrans-63.1-33.5176.2-169.8170.7-16800112.6H265 A269H265-E267 PolarHBondContact O-N 2.79Å; E267-A269 VanDerWaalsContact C-N 3.34Å
268N66.6Low73.6Confident81 Ų8183.5 Ų83.543%0.43343%0.429SS..Hα-helixtrans-81.8-15177.3-64.4-17.2000112.7H265 P266 L270 A271H265-N268 HydrophobicContact CB-CB 4.08Å; H265-N268 PolarHBondContact O-N 2.99Å; H265-N268 VanDerWaalsContact O-N 3.09Å; P266-N268 VanDerWaalsContact C-N 3.28Å; P266-N268 PolarHBondContact O-N 2.86Å; N268-L270 VanDerWaalsContact C-N 3.34Å; N268-L270 PolarHBondContact O-N 2.93Å; N268-A271 PolarHBondContact O-N 2.79Å
269A60.9Low72.5Confident11 Ų1183.2 Ų83.29%0.09143%0.432CS..Hα-helixtrans-63.7-38.8-176.600000112.6Q262 H265 P266 E267 A271 F272 D273Q262-A269 HydrophobicContact CB-CB 3.91Å; Q262-A269 HydrophobicContact CG-CB 3.47Å; Q262-A269 VanDerWaalsContact CG-CB 3.47Å; H265-A269 PolarHBondContact O-N 3.1Å; P266-A269 WeakPolarHBondContact O-CB 3.03Å; P266-A269 PolarHBondContact O-N 2.77Å; P266-A269 VanDerWaalsContact O-N 3.13Å; E267-A269 VanDerWaalsContact C-N 3.34Å; A269-A271 PolarHBondContact O-N 3.15Å; A269-F272 PolarHBondContact O-N 3.46Å; A269-F272 VanDerWaalsContact O-N 3.13Å; A269-D273 PolarHBondContact O-N 2.9Å
270L62.8Low71.6Confident118 Ų11884.2 Ų84.262%0.61845%0.446SS*.Hα-helixtrans-66.6-19.9-176.6-61.3178.4000113.1N268 R274N268-L270 VanDerWaalsContact C-N 3.34Å; N268-L270 PolarHBondContact O-N 2.93Å; L270-R274 WeakPolarHBondContact O-CG 3.49Å; L270-R274 PolarHBondContact O-N 2.89Å
271A62.5Low70.8Confident56 Ų5688.5 Ų88.546%0.46347%0.469SS..Hα-helixtrans-69.8-38.4174.900000111.6N268 A269 E275N268-A271 PolarHBondContact O-N 2.79Å; A269-A271 PolarHBondContact O-N 3.15Å; A271-E275 PolarHBondContact O-N 3.46Å
272F62.3Low70.1Confident72 Ų7292 Ų9232%0.31648%0.481SS..Hα-helixtrans-74.9-35.9-179.1-71.3-76.4000112.8V258 M261 A269 R274 E275 S276V258-F272 HydrophobicContact CG1-CB 4.26Å; V258-F272 HydrophobicContact CG1-CG 4.21Å; M261-F272 HydrophobicContact CE-CE2 3.93Å; M261-F272 HydrophobicContact CE-CZ 4.12Å; M261-F272 HydrophobicContact SD-CE2 4.43Å; M261-F272 HydrophobicContact SD-CZ 4.39Å; A269-F272 PolarHBondContact O-N 3.46Å; A269-F272 VanDerWaalsContact O-N 3.13Å; F272-R274 VanDerWaalsContact C-N 3.34Å; F272-R274 PolarHBondContact O-N 2.84Å; F272-E275 PolarHBondContact O-N 2.78Å; F272-S276 PolarHBondContact O-N 2.89Å
273D63Low69.5Low70 Ų7095.3 Ų95.337%0.37450%0.499SS..Hα-helixtrans-66.1-40.4179.6-62.8-32.8000110.5A269 E275 S276 E277A269-D273 PolarHBondContact O-N 2.9Å; D273-E275 PolarHBondContact O-N 2.89Å; D273-S276 PolarHBondContact O-N 2.85Å; D273-S276 PolarHBondContact O-OG 2.86Å; D273-E277 PolarHBondContact O-N 3.38Å
274R60.5Low69Low193 Ų19395.5 Ų95.573%0.72850%0.503SS*.Hα-helixtrans-64.1-37.2175.5-75.5-176.9163.2179.1-2.7113.6L270 F272 A278L270-R274 WeakPolarHBondContact O-CG 3.49Å; L270-R274 PolarHBondContact O-N 2.89Å; F272-R274 VanDerWaalsContact C-N 3.34Å; F272-R274 PolarHBondContact O-N 2.84Å; R274-A278 WeakPolarHBondContact O-CB 3.25Å; R274-A278 PolarHBondContact O-N 3.38Å
275E61.3Low68.5Low132 Ų13292.7 Ų92.762%0.61750%0.5SS*.Hα-helixtrans-70.1-34.6175.8-73.6178.817900111.9A271 F272 D273 A279A271-E275 PolarHBondContact O-N 3.46Å; F272-E275 PolarHBondContact O-N 2.78Å; D273-E275 PolarHBondContact O-N 2.89Å; E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.91Å
276S63.2Low68.1Low70 Ų7094.9 Ų94.949%0.4951%0.508SS..Hα-helixtrans-70-41.7177790000112.6F272 D273 A279 A280F272-S276 PolarHBondContact O-N 2.89Å; D273-S276 PolarHBondContact O-N 2.85Å; D273-S276 PolarHBondContact O-OG 2.86Å; S276-A279 PolarHBondContact O-N 2.95Å; S276-A280 WeakPolarHBondContact O-CB 2.91Å; S276-A280 PolarHBondContact O-N 3.31Å
277E65.1Low68.1Low128 Ų12896.5 Ų96.560%0.59851%0.508SS*.Hα-helixtrans-69.5-41.7175.1-70.4-178.6165.200111.4D273 A279 A280 L281D273-E277 PolarHBondContact O-N 3.38Å; E277-A279 VanDerWaalsContact C-N 3.33Å; E277-A279 PolarHBondContact O-N 3.01Å; E277-A280 PolarHBondContact O-N 3.48Å; E277-L281 WeakPolarHBondContact O-CB 3.38Å; E277-L281 WeakPolarHBondContact O-CG 3.39Å; E277-L281 PolarHBondContact O-N 2.86Å
278A65.6Low68.3Low44 Ų4494 Ų9436%0.36450%0.499SS..Hα-helixtrans-65.4-35.5175.400000112.2R274 K282R274-A278 WeakPolarHBondContact O-CB 3.25Å; R274-A278 PolarHBondContact O-N 3.38Å; A278-K282 WeakPolarHBondContact O-CB 3.21Å; A278-K282 VanDerWaalsContact O-CG 3.26Å; A278-K282 WeakPolarHBondContact O-CG 3.49Å; A278-K282 PolarHBondContact O-N 3.46Å
279A67.9Low68.2Low50 Ų5099.7 Ų99.741%0.41352%0.516SS..Hα-helixtrans-67.6-42.7173.300000111.5E275 S276 E277 K282 I283E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.91Å; S276-A279 PolarHBondContact O-N 2.95Å; E277-A279 VanDerWaalsContact C-N 3.33Å; E277-A279 PolarHBondContact O-N 3.01Å; A279-K282 PolarHBondContact O-N 3.43Å; A279-I283 WeakPolarHBondContact O-CG1 3.43Å; A279-I283 PolarHBondContact O-N 2.89Å; A279-I283 VanDerWaalsContact O-N 3.08Å
280A72.2Confident68.2Low51 Ų51103.8 Ų103.842%0.42154%0.543SS..Hα-helixtrans-62.1-45.7175.800000111.9S276 E277 K282 I283 V284S276-A280 WeakPolarHBondContact O-CB 2.91Å; S276-A280 PolarHBondContact O-N 3.31Å; E277-A280 PolarHBondContact O-N 3.48Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 3.49Å; A280-I283 PolarHBondContact O-N 2.92Å; A280-I283 VanDerWaalsContact O-N 3.15Å; A280-V284 WeakPolarHBondContact O-CG2 3.34Å; A280-V284 PolarHBondContact O-N 3.37Å
281L74.2Confident68.3Low122 Ų122102.9 Ų102.964%0.63955%0.547SS*.Hα-helixtrans-62.4-35.9176.2-74170.5000112.5E277 V284 A285E277-L281 WeakPolarHBondContact O-CB 3.38Å; E277-L281 WeakPolarHBondContact O-CG 3.39Å; E277-L281 PolarHBondContact O-N 2.86Å; L281-V284 PolarHBondContact O-N 2.98Å; L281-A285 VanDerWaalsContact O-CB 3.28Å; L281-A285 WeakPolarHBondContact O-CB 3.46Å; L281-A285 PolarHBondContact O-N 3.1Å
282K73.9Confident67.9Low156 Ų156103 Ų10368%0.67855%0.553SS**Hα-helixtrans-66.3-36.4174.1-77.7173.4-176.11770112.7A278 A279 A280 K286A278-K282 WeakPolarHBondContact O-CB 3.21Å; A278-K282 VanDerWaalsContact O-CG 3.26Å; A278-K282 WeakPolarHBondContact O-CG 3.49Å; A278-K282 PolarHBondContact O-N 3.46Å; A279-K282 PolarHBondContact O-N 3.43Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 3.49Å; K282-K286 WeakPolarHBondContact O-CB 3.35Å; K282-K286 PolarHBondContact O-N 3.05Å
283I73.5Confident67.2Low100 Ų100104.5 Ų104.551%0.51357%0.572SS.*Hα-helixtrans-66.3-49.5175.4-66.3164.8000109.5A279 A280 A285 K286 E287A279-I283 WeakPolarHBondContact O-CG1 3.43Å; A279-I283 PolarHBondContact O-N 2.89Å; A279-I283 VanDerWaalsContact O-N 3.08Å; A280-I283 PolarHBondContact O-N 2.92Å; A280-I283 VanDerWaalsContact O-N 3.15Å; I283-A285 VanDerWaalsContact C-N 3.35Å; I283-A285 PolarHBondContact O-N 3.03Å; I283-K286 WeakPolarHBondContact O-CB 3.27Å; I283-K286 PolarHBondContact O-N 3.37Å; I283-K286 VanDerWaalsContact O-N 3.1Å; I283-E287 PolarHBondContact O-N 3.32Å
284V77.7Confident66.6Low73 Ų73110.5 Ų110.544%0.44262%0.615SS.*Hα-helixtrans-59.8-44.3177.9176.50000111.4A280 L281 K286 E287 L288A280-V284 WeakPolarHBondContact O-CG2 3.34Å; A280-V284 PolarHBondContact O-N 3.37Å; L281-V284 PolarHBondContact O-N 2.98Å; V284-K286 VanDerWaalsContact C-N 3.28Å; V284-K286 PolarHBondContact O-N 3.4Å; V284-E287 PolarHBondContact O-N 3.25Å; V284-L288 HydrophobicContact CG1-CD1 4.08Å; V284-L288 HydrophobicContact CG1-CG 4.47Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 3.12Å
285A76.7Confident66.9Low50 Ų50106.4 Ų106.441%0.41361%0.61SS.*Hα-helixtrans-62.3-35.7176.900000112.5L281 I283 Y289L281-A285 VanDerWaalsContact O-CB 3.28Å; L281-A285 WeakPolarHBondContact O-CB 3.46Å; L281-A285 PolarHBondContact O-N 3.1Å; I283-A285 VanDerWaalsContact C-N 3.35Å; I283-A285 PolarHBondContact O-N 3.03Å; A285-Y289 PolarHBondContact O-N 3.39Å
286K75.6Confident67.2Low152 Ų152105.1 Ų105.166%0.66161%0.609SS**Hα-helixtrans-69.9-38.9176.3-170.2173.1-177.6178.60112K282 I283 V284 Y289 C290K282-K286 WeakPolarHBondContact O-CB 3.35Å; K282-K286 PolarHBondContact O-N 3.05Å; I283-K286 WeakPolarHBondContact O-CB 3.27Å; I283-K286 PolarHBondContact O-N 3.37Å; I283-K286 VanDerWaalsContact O-N 3.1Å; V284-K286 VanDerWaalsContact C-N 3.28Å; V284-K286 PolarHBondContact O-N 3.4Å; K286-Y289 PolarHBondContact O-N 3.1Å; K286-C290 WeakPolarHBondContact O-CB 3.38Å; K286-C290 PolarHBondContact O-N 3.37Å
287E73.7Confident67.4Low126 Ų126107 Ų10759%0.58962%0.616SS**Hα-helixtrans-65.1-44.4176.2-72.1178.6172.100111.8I283 V284 Y289 C290 S291I283-E287 PolarHBondContact O-N 3.32Å; V284-E287 PolarHBondContact O-N 3.25Å; E287-Y289 VanDerWaalsContact C-N 3.28Å; E287-Y289 PolarHBondContact O-N 2.85Å; E287-C290 PolarHBondContact O-N 2.71Å; E287-C290 VanDerWaalsContact O-N 3.16Å; E287-S291 PolarHBondContact O-N 3.27Å; E287-S291 VanDerWaalsContact O-N 3.07Å; E287-S291 PolarHBondContact O-OG 3.11Å
288L74.3Confident67.5Low119 Ų119105.8 Ų105.862%0.62362%0.617SS**Hα-helixtrans-62.4-34.3176.5-68.1171.4000112.7V284 S291V284-L288 HydrophobicContact CG1-CD1 4.08Å; V284-L288 HydrophobicContact CG1-CG 4.47Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 3.12Å; L288-S291 PolarHBondContact O-OG 2.94Å
289Y65.1Low67.7Low201 Ų201109.6 Ų109.679%0.78863%0.633SS**Hα-helixtrans-76.1-30.3175.5-102.6-90.7000113.2A285 K286 E287A285-Y289 PolarHBondContact O-N 3.39Å; K286-Y289 PolarHBondContact O-N 3.1Å; E287-Y289 VanDerWaalsContact C-N 3.28Å; E287-Y289 PolarHBondContact O-N 2.85Å
290C61.9Low67.6Low97 Ų97113.6 Ų113.666%0.65565%0.648SS**Hα-helixtrans-79.5-24.8178-800000113.7K286 E287 G292K286-C290 WeakPolarHBondContact O-CB 3.38Å; K286-C290 PolarHBondContact O-N 3.37Å; E287-C290 PolarHBondContact O-N 2.71Å; E287-C290 VanDerWaalsContact O-N 3.16Å; C290-G292 VanDerWaalsContact C-N 3.35Å
291S63.6Low67.3Low99 Ų99118.1 Ų118.169%0.69266%0.664SS**THydrogen-bonded Turntrans-86.90.1176.260.40000114.6E287 L288E287-S291 PolarHBondContact O-N 3.27Å; E287-S291 VanDerWaalsContact O-N 3.07Å; E287-S291 PolarHBondContact O-OG 3.11Å; L288-S291 PolarHBondContact O-OG 2.94Å
292G55.2Low66.8Low58 Ų58117.8 Ų117.860%0.59867%0.666SS**  trans-111.918.3-172.400000115.8C290C290-G292 VanDerWaalsContact C-N 3.35Å
293S47.4Very low66.2Low103 Ų103114.6 Ų114.672%0.7267%0.665SS**  trans-83125.4170.9-810000110.3
294P49.8Very low65.5Low197 Ų197115.9 Ų115.9100%1.27968%0.678SS**  trans-69.70-179.830.2-35.1000113.5

Retrieved 294 of 294 residues in 150.8 ms (Link to these results)