A0A096MVU3_PAPAN Loading...

Large ribosomal subunit protein uL3m

AlphaFold DB (A0A2K5MWF5), UniProt , Accession A0A096MVU3, Species PAPAN (Papio anubis, Olive baboon), Gene MRPL3, Length 348 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M46.8Very low32Very low240 Ų240165.4 Ų165.4100%1.18289%0.886SS**  089.80-68.2-75.1-175.700106.7
2P34.7Very low31.9Very low137 Ų137160.5 Ų160.589%0.8989%0.886SS**  -145.6161.690.930.2-9.1000114.4
3G28.9Very low32.1Very low71 Ų71162.2 Ų162.273%0.73288%0.883SS**  trans-100.2144.2-177.800000114.4
4W30.2Very low31.9Very low254 Ų254161.1 Ų161.196%0.96288%0.884SS**  trans50.2114.6152.6-64.5-18.1000122.4
5R25.8Very low32.1Very low249 Ų249161.5 Ų161.594%0.9488%0.884SS**PPolyproline II helixtrans-102.4133.9149.9-74.4-177.3174.1-153-1.4108.8
6L29.6Very low31.9Very low173 Ų173156.5 Ų156.591%0.90688%0.881SS**PPolyproline II helixtrans-94.5128.1168.4-116.6119000109.2
7L32.2Very low31.6Very low166 Ų166162.1 Ų162.187%0.86989%0.885SS**PPolyproline II helixtrans-101140174.2-87.4161000110.5
8T31.7Very low31.7Very low122 Ų122161.1 Ų161.175%0.74888%0.884SS**PPolyproline II helixtrans-83.5152.4178470000113.9
9Q29.3Very low31.6Very low188 Ų188156.4 Ų156.488%0.87988%0.877SS**  trans175.9123.1135.5-102.2178.5-18.500108.2
10V33.1Very low31.4Very low145 Ų145157.2 Ų157.288%0.87988%0.879SS**  77.7123.458.5-179.10000114.6
11G30.2Very low31.2Very low74 Ų74152.7 Ų152.776%0.76387%0.868SS**  trans106.9141.7156.400000114.8
12A29.8Very low30.4Very low107 Ų107150.4 Ų150.488%0.88486%0.86SS**  cis-167161.20.300000109.7
13Q34.9Very low30.1Very low182 Ų182147.2 Ų147.285%0.8585%0.852SS**  trans-72.5151.2171.4-133.1172.4-12.700111.3
14V28.9Very low30.2Very low147 Ų147148.9 Ų148.989%0.89186%0.858SS**  trans-166.8137.7138.3164.40000111
15L35.9Very low30.2Very low168 Ų168141.6 Ų141.688%0.8885%0.853SS**  trans-71.7146.6173.1-82.9131.6000113.6
16G28.2Very low30.3Very low81 Ų81140.4 Ų140.484%0.83586%0.855SS**  trans-126.6127.7170.800000112.7
17R27Very low30.3Very low252 Ų252135.5 Ų135.595%0.95185%0.846SS**  trans-93.7154.2-173.6-159-178.7-172.4-1771.1110.9
18V34.3Very low30.5Very low143 Ų143134.4 Ų134.487%0.86785%0.849SS**  trans-67.5148.9178.9176.10000113.3
19G28.6Very low30.5Very low73 Ų73132.1 Ų132.175%0.75385%0.849SS**  trans178.3126.5161.400000114.2
20D28.6Very low31Very low171 Ų171131.2 Ų131.291%0.91485%0.85SS**  trans-65.2160.3-170.8-69.1-61.3000117.6
21G27.1Very low31.1Very low64 Ų64134.6 Ų134.666%0.6685%0.847SS**  trans154123.8146.800000117.4
22L30Very low31.9Very low191 Ų191137.3 Ų137.3100%185%0.849SS**  trans75.9137.1158.3-54.1154.6000115.6
23G28.9Very low31.9Very low70 Ų70139.2 Ų139.272%0.72284%0.84SS**  cis154.8125.59.400000107.7
24A29.3Very low31.9Very low106 Ų106138 Ų13888%0.87684%0.838SS**  trans34.3124.6159.500000122.6
25A30.7Very low31.9Very low102 Ų102140.9 Ų140.984%0.84383%0.832SS**  160.7133106.800000112.3
26F28.1Very low31.5Very low224 Ų224139.8 Ų139.898%0.98283%0.826SS**  trans-88140.5173.8-93.8-96000111.3
27G30.2Very low31.5Very low69 Ų69143.8 Ų143.871%0.71182%0.821SS**  trans-156.8130.7164.100000110.5
28P35.9Very low31.9Very low144 Ų144137.8 Ų137.894%0.93581%0.812SS**  trans-91.7129.7-176.634.4-28.7000110.5
29G32.4Very low31.7Very low74 Ų74141.1 Ų141.176%0.76381%0.809SS**  trans-162.799.8-179.500000111.4R31G29-R31 PolarHBondContact O-N 3.32Å
30N39.4Very low32.1Very low168 Ų168141.2 Ų141.290%0.89880%0.798SS**  trans-62.5111.2-178.1-158.810.5000111.3
31R35.5Very low32.8Very low217 Ų217140.4 Ų140.482%0.81979%0.792SS**  trans-139.6120.7161.6-82.6-168.5168.7179.1-3.3110.8G29 H33G29-R31 PolarHBondContact O-N 3.32Å; R31-H33 PolarHBondContact O-N 3.14Å; R31-H33 VanDerWaalsContact O-N 3.15Å
32T46.5Very low33.9Very low130 Ų130144.7 Ų144.780%0.79880%0.795SS**  trans-44.8106.2169.846.30000112.1
33H30.9Very low35.1Very low148 Ų148138.2 Ų138.269%0.68578%0.775SS**  trans-117.4100.7157.2-74.4-78.8000107.3R31 W35R31-H33 PolarHBondContact O-N 3.14Å; R31-H33 VanDerWaalsContact O-N 3.15Å; H33-W35 PolarHBondContact O-N 3.03Å
34I33.3Very low37.2Very low157 Ų157144.1 Ų144.181%0.80578%0.781SS**  trans-61.197.4159.5-66167.7000104.8L36I34-L36 HydrophobicContact CG2-CG 4.44Å; I34-L36 PolarHBondContact O-N 2.89Å
35W29.9Very low39.8Very low206 Ų206143.9 Ų143.978%0.7877%0.772SS**  trans-67.391163.6-75.484.7000106.1H33 F37H33-W35 PolarHBondContact O-N 3.03Å; W35-F37 HydrophobicContact CB-CD2 4.14Å; W35-F37 HydrophobicContact CB-CE2 4.34Å; W35-F37 PolarHBondContact O-N 3.49Å
36L27.6Very low42.6Very low145 Ų145142.3 Ų142.376%0.75977%0.766SS**  trans-60.186.7150.1-90.7152.6000105.5I34 V38I34-L36 HydrophobicContact CG2-CG 4.44Å; I34-L36 PolarHBondContact O-N 2.89Å; L36-V38 PolarHBondContact O-N 2.82Å
37F28.3Very low45.7Very low166 Ų166136 Ų13673%0.72875%0.746SS**  trans-57.793.5153-90.6-86.4000105.1W35 R39W35-F37 HydrophobicContact CB-CD2 4.14Å; W35-F37 HydrophobicContact CB-CE2 4.34Å; W35-F37 PolarHBondContact O-N 3.49Å; F37-R39 PolarHBondContact O-N 3.24Å
38V33.9Very low48.7Very low126 Ų126140.1 Ų140.176%0.76474%0.74SS**  trans-63.886.1149.9-1780000103.7L36 S40L36-V38 PolarHBondContact O-N 2.82Å; V38-S40 PolarHBondContact O-N 2.61Å
39R31.6Very low51.6Low213 Ų213136.8 Ų136.880%0.80471%0.709SS**  trans-55.7100.4156.1-85.9-173.5174-173.2-0.4103.5F37 I41F37-R39 PolarHBondContact O-N 3.24Å; R39-I41 VanDerWaalsContact C-N 3.27Å; R39-I41 PolarHBondContact O-N 3.5Å
40S36Very low54.5Low74 Ų74136.3 Ų136.352%0.51769%0.689SS.*  trans-57.5107.4160178.80000105.1V38 H42V38-S40 PolarHBondContact O-N 2.61Å; S40-H42 VanDerWaalsContact CB-CE1 3.47Å; S40-H42 WeakPolarHBondContact CB-CE1 3.33Å; S40-H42 WeakPolarHBondContact CB-ND1 3.25Å; S40-H42 PolarHBondContact O-N 3.16Å; S40-H42 PolarHBondContact O-ND1 2.59Å; S40-H42 PolarHBondContact OG-CE1 3.37Å; S40-H42 PolarHBondContact OG-ND1 3.31Å
41I44.4Very low57.1Low154 Ų154131.7 Ų131.779%0.7966%0.662SS**  trans-68.480.8169-58.6174.7000104.6R39 G43R39-I41 VanDerWaalsContact C-N 3.27Å; R39-I41 PolarHBondContact O-N 3.5Å; I41-G43 PolarHBondContact O-N 3.18Å
42H50.2Low59.9Low154 Ų154128.7 Ų128.771%0.71366%0.657SS**  trans-70.547.6155.4-68.689.3000108.4S40 K44S40-H42 VanDerWaalsContact CB-CE1 3.47Å; S40-H42 WeakPolarHBondContact CB-CE1 3.33Å; S40-H42 WeakPolarHBondContact CB-ND1 3.25Å; S40-H42 PolarHBondContact O-N 3.16Å; S40-H42 PolarHBondContact O-ND1 2.59Å; S40-H42 PolarHBondContact OG-CE1 3.37Å; S40-H42 PolarHBondContact OG-ND1 3.31Å; H42-K44 PolarHBondContact O-N 3.26Å
43G54.9Low62.2Low56 Ų56125.1 Ų125.158%0.57763%0.633SS**  trans-83.866.9-179.700000109.3I41 S45I41-G43 PolarHBondContact O-N 3.18Å; G43-S45 VanDerWaalsContact C-N 3.29Å; G43-S45 PolarHBondContact O-N 2.99Å
44K73.1Confident65.3Low194 Ų194120.8 Ų120.884%0.84362%0.619SS**  trans-73.688.1171-66.1-178.1-179.1-1800107.8H42H42-K44 PolarHBondContact O-N 3.26Å
45S83.8Confident68.3Low101 Ų101122.1 Ų122.171%0.70662%0.621SS**  trans-63.3134.7166.9510000108.6G43G43-S45 VanDerWaalsContact C-N 3.29Å; G43-S45 PolarHBondContact O-N 2.99Å
46G89.3Confident71.5Confident68 Ų68120 Ų12070%0.70162%0.62SS**  trans-64.2141.8169.900000109.4
47T93.4Very high74.8Confident91 Ų91116.6 Ų116.656%0.55860%0.603SS**  trans-120160.7177.6-174.80000111E51T47-E51 WeakPolarHBondContact CA-OE2 3.41Å; T47-E51 WeakPolarHBondContact CB-OE2 3.29Å; T47-E51 PolarHBondContact OG1-OE2 2.72Å
48W93.2Very high78Confident157 Ų157110.2 Ų110.260%0.59558%0.577SS**  trans-121.9162.41715682.4000111.2D50 E51W48-D50 PolarHBondContact O-N 3.16Å; W48-D50 VanDerWaalsContact O-N 3.11Å; W48-E51 HydrophobicContact CD2-CB 4.12Å; W48-E51 HydrophobicContact CD2-CG 4.42Å; W48-E51 HydrophobicContact CG-CB 4.18Å; W48-E51 HydrophobicContact CH2-CG 4.32Å; W48-E51 HydrophobicContact CZ2-CB 4.22Å; W48-E51 HydrophobicContact CZ2-CG 3.81Å; W48-E51 PolarHBondContact N-OE2 3.09Å; W48-E51 WeakPolarHBondContact O-CB 3.27Å; W48-E51 PolarHBondContact O-N 2.87Å; W48-E51 VanDerWaalsContact O-N 3.16Å
49W95.3Very high81Confident73 Ų73107.9 Ų107.928%0.27757%0.565SS.*THydrogen-bonded Turntrans-60.3-28.8-165.677.9-75.8000114.9L53 V58 I61 K62 F155W49-L53 HydrophobicContact CE3-CD1 3.85Å; W49-L53 HydrophobicContact CZ3-CD1 3.62Å; W49-V58 HydrophobicContact CH2-CG1 4.28Å; W49-I61 HydrophobicContact CE3-CG2 4.24Å; W49-I61 HydrophobicContact CZ3-CB 4.28Å; W49-I61 HydrophobicContact CZ3-CG2 3.75Å; W49-K62 HydrophobicContact CH2-CG 3.99Å; W49-F155 HydrophobicContact CB-CB 3.97Å; W49-F155 HydrophobicContact CB-CD1 3.63Å; W49-F155 HydrophobicContact CB-CE1 4.31Å; W49-F155 HydrophobicContact CB-CG 3.9Å; W49-F155 HydrophobicContact CD2-CB 4.4Å; W49-F155 AromaticContact CD2-CD1 3.99Å; W49-F155 HydrophobicContact CD2-CD1 3.99Å; W49-F155 AromaticContact CD2-CD2 3.81Å; W49-F155 HydrophobicContact CD2-CD2 3.81Å; W49-F155 HydrophobicContact CD2-CE1 4.17Å; W49-F155 HydrophobicContact CD2-CE2 4.02Å; W49-F155 AromaticContact CD2-CG 3.81Å; W49-F155 HydrophobicContact CD2-CG 3.81Å; W49-F155 HydrophobicContact CD2-CZ 4.18Å; W49-F155 HydrophobicContact CE3-CD1 4.16Å; W49-F155 HydrophobicContact CE3-CD2 4.2Å; W49-F155 AromaticContact CE3-CE1 3.87Å; W49-F155 HydrophobicContact CE3-CE1 3.87Å; W49-F155 AromaticContact CE3-CE2 3.92Å; W49-F155 HydrophobicContact CE3-CE2 3.92Å; W49-F155 HydrophobicContact CE3-CG 4.32Å; W49-F155 AromaticContact CE3-CZ 3.74Å; W49-F155 HydrophobicContact CE3-CZ 3.74Å; W49-F155 HydrophobicContact CG-CB 3.72Å; W49-F155 AromaticContact CG-CD1 3.76Å; W49-F155 HydrophobicContact CG-CD1 3.76Å; W49-F155 HydrophobicContact CG-CD2 4.05Å; W49-F155 HydrophobicContact CG-CE1 4.37Å; W49-F155 AromaticContact CG-CG 3.58Å; W49-F155 HydrophobicContact CG-CG 3.58Å; W49-F155 HydrophobicContact CZ3-CE2 4.17Å; W49-F155 HydrophobicContact CZ3-CZ 4.12Å
50D94.2Very high84.2Confident65 Ų65103.7 Ų103.735%0.34855%0.553SS.*THydrogen-bonded Turntrans-105.811.3-178.453.9-33.2000114.7W48 H52 L53W48-D50 PolarHBondContact O-N 3.16Å; W48-D50 VanDerWaalsContact O-N 3.11Å; D50-H52 VanDerWaalsContact C-N 3.34Å; D50-H52 PolarHBondContact O-N 3.18Å; D50-L53 HydrophobicContact CB-CD1 4.27Å
51E94.4Very high87.1Confident71 Ų71102.2 Ų102.233%0.33254%0.539SS..THydrogen-bonded Turntrans-66.1-34.3-178.4-169179.2167.100113.6T47 W48T47-E51 WeakPolarHBondContact CA-OE2 3.41Å; T47-E51 WeakPolarHBondContact CB-OE2 3.29Å; T47-E51 PolarHBondContact OG1-OE2 2.72Å; W48-E51 HydrophobicContact CD2-CB 4.12Å; W48-E51 HydrophobicContact CD2-CG 4.42Å; W48-E51 HydrophobicContact CG-CB 4.18Å; W48-E51 HydrophobicContact CH2-CG 4.32Å; W48-E51 HydrophobicContact CZ2-CB 4.22Å; W48-E51 HydrophobicContact CZ2-CG 3.81Å; W48-E51 PolarHBondContact N-OE2 3.09Å; W48-E51 WeakPolarHBondContact O-CB 3.27Å; W48-E51 PolarHBondContact O-N 2.87Å; W48-E51 VanDerWaalsContact O-N 3.16Å
52H94Very high89.5Confident153 Ų153100.4 Ų100.471%0.70853%0.525SS*.THydrogen-bonded Turntrans-11515.2-173.1-54.1-44.6000113D50D50-H52 VanDerWaalsContact C-N 3.34Å; D50-H52 PolarHBondContact O-N 3.18Å
53L95.6Very high91.8Very high56 Ų5698 Ų9829%0.29351%0.514SS..  trans-92.3140178.7-63.9-180000110.6W49 D50 N57 V58 I61W49-L53 HydrophobicContact CE3-CD1 3.85Å; W49-L53 HydrophobicContact CZ3-CD1 3.62Å; D50-L53 HydrophobicContact CB-CD1 4.27Å; L53-N57 HydrophobicContact CB-CB 4.38Å; L53-N57 HydrophobicContact CD2-CB 4.3Å; L53-V58 HydrophobicContact CB-CG2 3.81Å; L53-V58 HydrophobicContact CD1-CG2 4.32Å; L53-I61 HydrophobicContact CD1-CG1 4.4Å
54S95.6Very high93.8Very high56 Ų5699.6 Ų99.639%0.39251%0.509SS..  trans-70.8162168.362.70000111.2E56 N57 V58S54-E56 PolarHBondContact O-N 3.31Å; S54-N57 PolarHBondContact O-N 2.89Å; S54-N57 WeakPolarHBondContact OG-CB 3.38Å; S54-N57 PolarHBondContact OG-N 2.87Å; S54-N57 PolarHBondContact OG-ND2 2.92Å; S54-V58 PolarHBondContact O-N 3.49Å
55E95.9Very high94.9Very high185 Ų18591.3 Ų91.386%0.86448%0.475SS*.THydrogen-bonded Turntrans-57.3-32.4178-62.1-170.7171.600112.8P59E55-P59 WeakPolarHBondContact O-CD 3.46Å
56E96.3Very high95.5Very high161 Ų16188.4 Ų88.475%0.75245%0.454SS*.THydrogen-bonded Turntrans-72.6-35.4177-61.9173.4-174.700112.5S54 P59S54-E56 PolarHBondContact O-N 3.31Å; E56-P59 WeakPolarHBondContact O-CD 3.49Å; E56-P59 WeakPolarHBondContact O-CG 3.11Å
57N96.8Very high95.9Very high74 Ų7488.5 Ų88.540%0.39644%0.439SS..Hα-helixtrans-79.2-30.4-175.2-72-11.9000112.9L53 S54 F60 I61L53-N57 HydrophobicContact CB-CB 4.38Å; L53-N57 HydrophobicContact CD2-CB 4.3Å; S54-N57 PolarHBondContact O-N 2.89Å; S54-N57 WeakPolarHBondContact OG-CB 3.38Å; S54-N57 PolarHBondContact OG-N 2.87Å; S54-N57 PolarHBondContact OG-ND2 2.92Å; N57-F60 PolarHBondContact O-N 3.5Å; N57-I61 WeakPolarHBondContact O-CG1 3.25Å; N57-I61 PolarHBondContact O-N 3.43Å
58V96.6Very high96.1Very high32 Ų3287.8 Ų87.819%0.19443%0.429CS..Hα-helixtrans-56.2-52.5179.1172.80000113.2W49 L53 S54 K62W49-V58 HydrophobicContact CH2-CG1 4.28Å; L53-V58 HydrophobicContact CB-CG2 3.81Å; L53-V58 HydrophobicContact CD1-CG2 4.32Å; S54-V58 PolarHBondContact O-N 3.49Å; V58-K62 HydrophobicContact CG1-CD 4.33Å; V58-K62 WeakPolarHBondContact O-CG 2.99Å; V58-K62 PolarHBondContact O-N 3.38Å
59P97.3Very high96.3Very high77 Ų7781.5 Ų81.550%0.541%0.407SS..Hα-helixtrans-66.4-38177.825.6-33.5000112.1E55 E56 K62 Q63E55-P59 WeakPolarHBondContact O-CD 3.46Å; E56-P59 WeakPolarHBondContact O-CD 3.49Å; E56-P59 WeakPolarHBondContact O-CG 3.11Å; P59-K62 PolarHBondContact O-N 3.27Å; P59-Q63 WeakPolarHBondContact O-CB 3.49Å; P59-Q63 PolarHBondContact O-N 3.46Å
60F97.7Very high96.3Very high125 Ų12583.9 Ų83.955%0.54842%0.419SS..Hα-helixtrans-58.3-50.5177.1171.6-102.4000112N57 K62 Q63 L64N57-F60 PolarHBondContact O-N 3.5Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 3.5Å; F60-Q63 PolarHBondContact O-N 3.38Å; F60-L64 HydrophobicContact CE1-CD2 4.36Å; F60-L64 HydrophobicContact CZ-CD2 4.49Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.03Å
61I97.1Very high96.5Very high44 Ų4483.8 Ų83.823%0.22643%0.427CS..Hα-helixtrans-63.9-38.7179.9-66.9-64000111.5W49 L53 N57 V65 F155W49-I61 HydrophobicContact CE3-CG2 4.24Å; W49-I61 HydrophobicContact CZ3-CB 4.28Å; W49-I61 HydrophobicContact CZ3-CG2 3.75Å; L53-I61 HydrophobicContact CD1-CG1 4.4Å; N57-I61 WeakPolarHBondContact O-CG1 3.25Å; N57-I61 PolarHBondContact O-N 3.43Å; I61-V65 WeakPolarHBondContact O-CB 3.25Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 3.33Å; I61-F155 HydrophobicContact CG2-CZ 3.85Å
62K95.9Very high96.5Very high115 Ų11582.4 Ų82.450%0.542%0.421SS..Hα-helixtrans-62.1-44.1175.8-74.9174.2-179171.50111.7W49 V58 P59 F60 S66W49-K62 HydrophobicContact CH2-CG 3.99Å; V58-K62 HydrophobicContact CG1-CD 4.33Å; V58-K62 WeakPolarHBondContact O-CG 2.99Å; V58-K62 PolarHBondContact O-N 3.38Å; P59-K62 PolarHBondContact O-N 3.27Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 3.5Å; K62-S66 VanDerWaalsContact O-CB 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.17Å; K62-S66 PolarHBondContact O-N 3.38Å
63Q97.6Very high96.5Very high105 Ų10576.8 Ų76.849%0.49140%0.396SS..Hα-helixtrans-65.7-47.9178.8-17362.426.200111P59 F60 V65 S66 D67P59-Q63 WeakPolarHBondContact O-CB 3.49Å; P59-Q63 PolarHBondContact O-N 3.46Å; F60-Q63 PolarHBondContact O-N 3.38Å; Q63-V65 PolarHBondContact O-N 3.02Å; Q63-S66 WeakPolarHBondContact O-CB 3.5Å; Q63-S66 PolarHBondContact O-N 3.41Å; Q63-S66 VanDerWaalsContact O-N 3.16Å; Q63-D67 WeakPolarHBondContact CG-OD2 2.97Å; Q63-D67 VanDerWaalsContact NE2-CG 3.32Å; Q63-D67 PolarHBondContact NE2-OD1 3.36Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.12Å; Q63-D67 PolarHBondContact NE2-OD2 3.18Å; Q63-D67 VanDerWaalsContact O-CG 3.29Å; Q63-D67 PolarHBondContact O-N 2.96Å
64L97.7Very high96.5Very high88 Ų8876.8 Ų76.846%0.46140%0.404SS..Hα-helixtrans-54.6-49.5177.9-177.469.3000111.8F60 D67 E68F60-L64 HydrophobicContact CE1-CD2 4.36Å; F60-L64 HydrophobicContact CZ-CD2 4.49Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.03Å; L64-D67 PolarHBondContact O-N 3.12Å; L64-E68 WeakPolarHBondContact O-CB 3.49Å; L64-E68 PolarHBondContact O-N 3.44Å
65V96.4Very high96.4Very high21 Ų2177.2 Ų77.213%0.12741%0.407CS..Hα-helixtrans-66.6-39.9179.3170.10000111.8I61 Q63 D67 D69 R154 F155I61-V65 WeakPolarHBondContact O-CB 3.25Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 3.33Å; Q63-V65 PolarHBondContact O-N 3.02Å; V65-D67 VanDerWaalsContact C-N 3.34Å; V65-D67 PolarHBondContact O-N 2.68Å; V65-D69 WeakPolarHBondContact O-CB 3.33Å; V65-D69 VanDerWaalsContact O-CG 3.25Å; V65-D69 PolarHBondContact O-N 2.92Å; V65-R154 HydrophobicContact CG1-CG 4.16Å; V65-F155 HydrophobicContact CG2-CZ 3.86Å
66S96.3Very high96.3Very high40 Ų4071.2 Ų71.228%0.2838%0.378SS..Hα-helixtrans-61.1-43.5176.3159.40000111.7K62 Q63 D69 K70K62-S66 VanDerWaalsContact O-CB 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.17Å; K62-S66 PolarHBondContact O-N 3.38Å; Q63-S66 WeakPolarHBondContact O-CB 3.5Å; Q63-S66 PolarHBondContact O-N 3.41Å; Q63-S66 VanDerWaalsContact O-N 3.16Å; S66-D69 PolarHBondContact O-N 2.78Å; S66-K70 VanDerWaalsContact O-CG 3.32Å; S66-K70 WeakPolarHBondContact O-CG 3.42Å; S66-K70 PolarHBondContact O-N 3.4Å
67D97.7Very high96Very high69 Ų6967.4 Ų67.437%0.36936%0.363SS..Hα-helixtrans-73.5-36.1-177.4-65.3-21.2000111.4Q63 L64 V65 K70 A71Q63-D67 WeakPolarHBondContact CG-OD2 2.97Å; Q63-D67 VanDerWaalsContact NE2-CG 3.32Å; Q63-D67 PolarHBondContact NE2-OD1 3.36Å; Q63-D67 VanDerWaalsContact NE2-OD1 3.12Å; Q63-D67 PolarHBondContact NE2-OD2 3.18Å; Q63-D67 VanDerWaalsContact O-CG 3.29Å; Q63-D67 PolarHBondContact O-N 2.96Å; L64-D67 PolarHBondContact O-N 3.12Å; V65-D67 VanDerWaalsContact C-N 3.34Å; V65-D67 PolarHBondContact O-N 2.68Å; D67-K70 PolarHBondContact O-N 3.03Å; D67-K70 IonicContact OD1-NZ 3.69Å; D67-A71 WeakPolarHBondContact O-CB 3.29Å; D67-A71 PolarHBondContact O-N 3.03Å
68E97.4Very high95.7Very high76 Ų7666.1 Ų66.136%0.35536%0.359SS..Hα-helixtrans-61.3-45.6170.1-165.7-161.6134.300111.7L64 K70 A71 Q72 R154L64-E68 WeakPolarHBondContact O-CB 3.49Å; L64-E68 PolarHBondContact O-N 3.44Å; E68-K70 VanDerWaalsContact C-N 3.34Å; E68-K70 PolarHBondContact O-N 2.68Å; E68-A71 PolarHBondContact O-N 3.23Å; E68-Q72 WeakPolarHBondContact O-CB 3.5Å; E68-Q72 WeakPolarHBondContact O-CG 3.33Å; E68-Q72 PolarHBondContact O-N 2.83Å; E68-Q72 PolarHBondContact OE1-NE2 3.3Å; E68-R154 IonicContact OE1-CZ 3.98Å; E68-R154 IonicContact OE1-NH1 3.61Å; E68-R154 PolarHBondContact OE1-NH1 2.85Å; E68-R154 IonicContact OE1-NH2 3.51Å; E68-R154 PolarHBondContact OE1-NH2 3.14Å; E68-R154 IonicContact OE2-CZ 2.64Å; E68-R154 IonicContact OE2-NH1 2.78Å; E68-R154 PolarHBondContact OE2-NH1 3.18Å; E68-R154 IonicContact OE2-NH2 3.43Å
69D96.4Very high95.5Very high25 Ų2565.2 Ų65.213%0.13435%0.354CS..Hα-helixtrans-60.7-43.4177.5-76.3-9.6000111V65 S66 Q72 L73 R154 P171V65-D69 WeakPolarHBondContact O-CB 3.33Å; V65-D69 VanDerWaalsContact O-CG 3.25Å; V65-D69 PolarHBondContact O-N 2.92Å; S66-D69 PolarHBondContact O-N 2.78Å; D69-Q72 PolarHBondContact O-N 2.92Å; D69-L73 WeakPolarHBondContact O-CB 3.21Å; D69-L73 VanDerWaalsContact O-CG 3.26Å; D69-L73 WeakPolarHBondContact O-CG 3.34Å; D69-L73 PolarHBondContact O-N 2.99Å; D69-R154 IonicContact OD1-CZ 2.94Å; D69-R154 IonicContact OD1-NE 3.04Å; D69-R154 IonicContact OD1-NH2 3.46Å; D69-R154 PolarHBondContact OD1-NH2 2.9Å; D69-P171 HydrophobicContact CB-CB 4.35Å; D69-P171 WeakPolarHBondContact OD1-CB 3.49Å
70K96.3Very high95.1Very high123 Ų12363.8 Ų63.854%0.53534%0.342SS..Hα-helixtrans-63.6-44.4176.2-72171.4-168.3166.40111.8S66 D67 E68 L73 A74S66-K70 VanDerWaalsContact O-CG 3.32Å; S66-K70 WeakPolarHBondContact O-CG 3.42Å; S66-K70 PolarHBondContact O-N 3.4Å; D67-K70 PolarHBondContact O-N 3.03Å; D67-K70 IonicContact OD1-NZ 3.69Å; E68-K70 VanDerWaalsContact C-N 3.34Å; E68-K70 PolarHBondContact O-N 2.68Å; K70-L73 PolarHBondContact O-N 3.46Å; K70-A74 VanDerWaalsContact O-CB 3.3Å; K70-A74 WeakPolarHBondContact O-CB 3.5Å; K70-A74 PolarHBondContact O-N 3.23Å
71A96.9Very high94.8Very high63 Ų6365.7 Ų65.752%0.52135%0.35SS..Hα-helixtrans-62.7-43.6178.300000111.6D67 E68 A74 S75D67-A71 WeakPolarHBondContact O-CB 3.29Å; D67-A71 PolarHBondContact O-N 3.03Å; E68-A71 PolarHBondContact O-N 3.23Å; A71-A74 PolarHBondContact O-N 3.2Å; A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 3.15Å
72Q95Very high94.4Very high42 Ų4266.9 Ų66.920%0.19636%0.357CS..Hα-helixtrans-61-47.5175.3-75.2175.2-100111.8E68 D69 S75 K76E68-Q72 WeakPolarHBondContact O-CB 3.5Å; E68-Q72 WeakPolarHBondContact O-CG 3.33Å; E68-Q72 PolarHBondContact O-N 2.83Å; E68-Q72 PolarHBondContact OE1-NE2 3.3Å; D69-Q72 PolarHBondContact O-N 2.92Å; Q72-S75 PolarHBondContact O-N 2.92Å; Q72-S75 PolarHBondContact O-OG 2.99Å; Q72-K76 WeakPolarHBondContact O-CG 3.36Å; Q72-K76 PolarHBondContact O-N 3.16Å
73L94.4Very high94.2Very high35 Ų3568.9 Ų68.918%0.18337%0.368CS..Hα-helixtrans-63.3-44.2178.3-69.5173000111.9D69 K70 S75 K76 L170 P171D69-L73 WeakPolarHBondContact O-CB 3.21Å; D69-L73 VanDerWaalsContact O-CG 3.26Å; D69-L73 WeakPolarHBondContact O-CG 3.34Å; D69-L73 PolarHBondContact O-N 2.99Å; K70-L73 PolarHBondContact O-N 3.46Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 3.37Å; L73-K76 PolarHBondContact O-N 2.86Å; L73-L170 HydrophobicContact CD2-CD2 4.17Å; L73-P171 HydrophobicContact CD1-CG 4.29Å; L73-P171 HydrophobicContact CD2-CG 3.85Å; L73-P171 HydrophobicContact CG-CG 3.96Å
74A94.6Very high94Very high56 Ų5666.7 Ų66.746%0.46336%0.363SS..Hα-helixtrans-62.1-37.9177.700000112.2K70 A71 K76 L77K70-A74 VanDerWaalsContact O-CB 3.3Å; K70-A74 WeakPolarHBondContact O-CB 3.5Å; K70-A74 PolarHBondContact O-N 3.23Å; A71-A74 PolarHBondContact O-N 3.2Å; A74-K76 PolarHBondContact O-N 3.46Å; A74-L77 WeakPolarHBondContact O-CB 3.34Å; A74-L77 PolarHBondContact O-N 3.36Å
75S94.1Very high93.8Very high66 Ų6667.4 Ų67.446%0.46236%0.359SS..Hα-helixtrans-63.1-24.4178.177.50000113.5A71 Q72 L73A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 3.15Å; Q72-S75 PolarHBondContact O-N 2.92Å; Q72-S75 PolarHBondContact O-OG 2.99Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 3.37Å
76K93.1Very high93.8Very high59 Ų5971.1 Ų71.126%0.25738%0.384SS..THydrogen-bonded Turntrans-97.63-177.3-60.9-61.5177.7-171.80113.8Q72 L73 A74 C78 L170 P192Q72-K76 WeakPolarHBondContact O-CG 3.36Å; Q72-K76 PolarHBondContact O-N 3.16Å; L73-K76 PolarHBondContact O-N 2.86Å; A74-K76 PolarHBondContact O-N 3.46Å; K76-C78 PolarHBondContact O-N 3.48Å; K76-L170 HydrophobicContact CB-CD2 4.32Å; K76-L170 HydrophobicContact CG-CD2 3.85Å; K76-L170 HydrophobicContact CG-CG 4.42Å; K76-P192 WeakPolarHBondContact O-CD 3.47Å; K76-P192 WeakPolarHBondContact O-CG 3.43Å
77L91.4Very high93.7Very high81 Ų8173.9 Ų73.942%0.42440%0.395SS..SBendtrans-68.6-20.6-179.1-71174.4000113.7A74 P79 Y194A74-L77 WeakPolarHBondContact O-CB 3.34Å; A74-L77 PolarHBondContact O-N 3.36Å; L77-P79 WeakPolarHBondContact O-CD 3.47Å; L77-Y194 WeakPolarHBondContact CD2-OH 3.37Å
78C90.6Very high93.6Very high47 Ų4775 Ų7532%0.31840%0.397SS..  trans-107.957.7-171.9-63.40000114.1K76 L80 K81 D82 D322K76-C78 PolarHBondContact O-N 3.48Å; C78-L80 VanDerWaalsContact C-N 3.27Å; C78-L80 PolarHBondContact O-N 3.18Å; C78-L80 VanDerWaalsContact O-N 3.16Å; C78-K81 HydrophobicContact CB-CD 4.39Å; C78-K81 PolarHBondContact O-N 3.35Å; C78-D82 PolarHBondContact O-N 3.14Å; C78-D322 WeakPolarHBondContact CA-OD2 3.35Å
79P90.6Very high93.5Very high12 Ų1275.8 Ų75.88%0.07841%0.409CS..THydrogen-bonded Turntrans-63.1-25.5-169.827.1-38.3000115.2L77 K81 T191 P192 F320 D322L77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-K81 VanDerWaalsContact C-N 3.33Å; P79-T191 HydrophobicContact CB-CG2 3.78Å; P79-T191 HydrophobicContact CG-CG2 4.17Å; P79-P192 HydrophobicContact CG-CG 4.12Å; P79-F320 HydrophobicContact CG-CD1 3.95Å; P79-F320 HydrophobicContact CG-CE1 4.27Å; P79-D322 VanDerWaalsContact CD-OD2 3.25Å; P79-D322 WeakPolarHBondContact CD-OD2 3.29Å
80L90.7Very high93.4Very high47 Ų4777.7 Ų77.725%0.24641%0.414CS..THydrogen-bonded Turntrans-76.3-21.3-179.4-69.6-178.6000113.3C78 P84 I87 F320 D322 G323C78-L80 VanDerWaalsContact C-N 3.27Å; C78-L80 PolarHBondContact O-N 3.18Å; C78-L80 VanDerWaalsContact O-N 3.16Å; L80-P84 HydrophobicContact CD2-CB 4.42Å; L80-P84 VanDerWaalsContact O-CD 3.25Å; L80-P84 WeakPolarHBondContact O-CD 3.45Å; L80-P84 WeakPolarHBondContact O-CG 3.35Å; L80-I87 HydrophobicContact CD2-CD1 4.3Å; L80-F320 HydrophobicContact CD1-CB 3.65Å; L80-F320 HydrophobicContact CD1-CD1 4.47Å; L80-F320 HydrophobicContact CD1-CG 4.06Å; L80-F320 HydrophobicContact CD2-CB 4.4Å; L80-F320 HydrophobicContact CD2-CD1 3.83Å; L80-F320 HydrophobicContact CD2-CD2 4.16Å; L80-F320 HydrophobicContact CD2-CE1 4.05Å; L80-F320 HydrophobicContact CD2-CE2 4.36Å; L80-F320 HydrophobicContact CD2-CG 3.88Å; L80-F320 HydrophobicContact CD2-CZ 4.3Å; L80-F320 HydrophobicContact CG-CB 4.03Å; L80-F320 HydrophobicContact CG-CD1 3.92Å; L80-F320 HydrophobicContact CG-CG 3.99Å; L80-D322 HydrophobicContact CD1-CB 4.48Å; L80-G323 VanDerWaalsContact CD1-CA 3.47Å
81K90.2Very high93.4Very high165 Ų16576.9 Ų76.972%0.71741%0.413SS*.THydrogen-bonded Turntrans-85.7-26.4176-63.6178.1-177.8171.50111.5C78 P79 E83C78-K81 HydrophobicContact CB-CD 4.39Å; C78-K81 PolarHBondContact O-N 3.35Å; P79-K81 VanDerWaalsContact C-N 3.33Å; K81-E83 PolarHBondContact O-N 3.02Å; K81-E83 VanDerWaalsContact O-N 3.14Å
82D90.1Very high93.2Very high70 Ų7078.9 Ų78.937%0.37442%0.42SS..SBendtrans-89.362.1-175-70.9-7000112.8C78 K188C78-D82 PolarHBondContact O-N 3.14Å; D82-K188 PolarHBondContact O-NZ 2.85Å
83E91.2Very high93Very high156 Ų15678.2 Ų78.273%0.72943%0.425SS*.  trans44.664.5177.4-58.5173.1166.300112.7K81 K188K81-E83 PolarHBondContact O-N 3.02Å; K81-E83 VanDerWaalsContact O-N 3.14Å; E83-K188 WeakPolarHBondContact O-CD 3.45Å; E83-K188 PolarHBondContact O-NZ 3.27Å; E83-K188 IonicContact OE2-NZ 2.9Å
84P92.5Very high93Very high60 Ų6077.4 Ų77.439%0.3942%0.422SS..PPolyproline II helixtrans-63.4148.7178.828.3-35.7000110.7L80L80-P84 HydrophobicContact CD2-CB 4.42Å; L80-P84 VanDerWaalsContact O-CD 3.25Å; L80-P84 WeakPolarHBondContact O-CD 3.45Å; L80-P84 WeakPolarHBondContact O-CG 3.35Å
85W94.7Very high93Very high102 Ų10280.2 Ų80.239%0.38642%0.424SS..PPolyproline II helixtrans-68157.9169.7-71.3-4.3000110.9I87 Y132 A186 K188W85-I87 PolarHBondContact O-N 2.78Å; W85-Y132 AromaticContact CH2-CD1 3.8Å; W85-Y132 HydrophobicContact CH2-CD1 3.8Å; W85-Y132 AromaticContact CH2-CG 3.99Å; W85-Y132 HydrophobicContact CH2-CG 3.99Å; W85-Y132 AromaticContact CZ3-CD1 3.95Å; W85-Y132 HydrophobicContact CZ3-CD1 3.95Å; W85-Y132 HydrophobicContact CZ3-CD2 4.4Å; W85-Y132 HydrophobicContact CZ3-CE1 4.44Å; W85-Y132 AromaticContact CZ3-CG 3.92Å; W85-Y132 HydrophobicContact CZ3-CG 3.92Å; W85-A186 HydrophobicContact CE3-CB 4.08Å; W85-A186 HydrophobicContact CZ3-CB 4.13Å; W85-K188 HydrophobicContact CD2-CB 4.13Å; W85-K188 HydrophobicContact CG-CB 4.14Å
86P94.9Very high93.1Very high100 Ų10078 Ų7865%0.64941%0.405SS*.PPolyproline II helixtrans-53.5130.5178.2-2634.9000112.1
87I94.8Very high93.3Very high98 Ų9875.2 Ų75.250%0.50339%0.393SS..PPolyproline II helixtrans-88.9117.4176.8-64175.7000108L80 W85 F320L80-I87 HydrophobicContact CD2-CD1 4.3Å; W85-I87 PolarHBondContact O-N 2.78Å; I87-F320 HydrophobicContact CD1-CE2 4.17Å
88H95.3Very high93.6Very high91 Ų9171.3 Ų71.342%0.42137%0.373SS..PPolyproline II helixtrans-93.3149.6175-62.1-72.3000110.6N184 F316H88-N184 HydrophobicContact CB-CB 3.81Å; H88-F316 VanDerWaalsContact O-CD1 3.27Å; H88-F316 WeakPolarHBondContact O-CD1 3.3Å; H88-F316 WeakPolarHBondContact O-CE1 3.42Å
89P95.1Very high94Very high94 Ų9469.1 Ų69.161%0.6136%0.358SS*.PPolyproline II helixtrans-68.5163.4174.130.7-35.5000111.5
90W95.6Very high94.3Very high64 Ų6468.6 Ų68.624%0.24236%0.355CS..PPolyproline II helixtrans-69134.9172.4177.289000111P92 D309 K312 F316W90-P92 HydrophobicContact CH2-CB 4.37Å; W90-P92 HydrophobicContact CH2-CG 4.12Å; W90-P92 HydrophobicContact CZ3-CG 4.15Å; W90-D309 HydrophobicContact CH2-CB 4.29Å; W90-D309 HydrophobicContact CZ2-CB 4.2Å; W90-K312 HydrophobicContact CD2-CB 4.25Å; W90-K312 HydrophobicContact CE3-CB 3.96Å; W90-K312 HydrophobicContact CE3-CG 3.88Å; W90-K312 HydrophobicContact CH2-CB 4.07Å; W90-K312 HydrophobicContact CZ2-CB 4.36Å; W90-K312 HydrophobicContact CZ3-CB 3.87Å; W90-K312 HydrophobicContact CZ3-CD 4.25Å; W90-K312 HydrophobicContact CZ3-CG 3.91Å; W90-F316 HydrophobicContact CB-CB 4.33Å; W90-F316 HydrophobicContact CB-CD1 4.41Å; W90-F316 HydrophobicContact CB-CG 4.22Å
91E95.1Very high94.7Very high107 Ų10766.4 Ų66.450%0.534%0.343SS..  trans-123.2151.6174.2-62.8177.5-17900110.9G93 S94E91-G93 PolarHBondContact O-N 2.76Å; E91-S94 PolarHBondContact N-OG 2.93Å; E91-S94 WeakPolarHBondContact O-CB 3.46Å; E91-S94 PolarHBondContact O-N 2.92Å; E91-S94 PolarHBondContact O-OG 3.27Å
92P94Very high95.1Very high104 Ų10459.1 Ų59.168%0.67531%0.312SS*.THydrogen-bonded Turntrans-55.3135.6173.3-25.234.7000112.3W90 S94W90-P92 HydrophobicContact CH2-CB 4.37Å; W90-P92 HydrophobicContact CH2-CG 4.12Å; W90-P92 HydrophobicContact CZ3-CG 4.15Å; P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 3.02Å
93G91.1Very high95.5Very high28 Ų2856.6 Ų56.629%0.28930%0.298SS..THydrogen-bonded Turntrans776.5-174.400000115.9E91 F95 D309E91-G93 PolarHBondContact O-N 2.76Å; G93-F95 WeakPolarHBondContact O-CE2 3.48Å; G93-D309 PolarHBondContact N-OD1 2.81Å
94S94.2Very high95.8Very high19 Ų1952 Ų5213%0.13328%0.278CS..  trans-69.4143172.1-57.50000112.2E91 P92 N184E91-S94 PolarHBondContact N-OG 2.93Å; E91-S94 WeakPolarHBondContact O-CB 3.46Å; E91-S94 PolarHBondContact O-N 2.92Å; E91-S94 PolarHBondContact O-OG 3.27Å; P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 3.02Å; S94-N184 PolarHBondContact OG-ND2 3.17Å
95F94.4Very high96.1Very high114 Ų11449.6 Ų49.650%0.527%0.265SS..  trans-121.9113.2174-61.3-68.8000109.8G93 I181 T182 A185G93-F95 WeakPolarHBondContact O-CE2 3.48Å; F95-I181 WeakPolarHBondContact O-CA 3.38Å; F95-I181 WeakPolarHBondContact O-CB 3.36Å; F95-T182 HydrophobicContact CB-CG2 4.29Å; F95-T182 HydrophobicContact CD2-CG2 3.79Å; F95-T182 HydrophobicContact CG-CG2 4.46Å; F95-T182 PolarHBondContact N-OG1 3.32Å; F95-T182 PolarHBondContact O-N 3.23Å; F95-T182 VanDerWaalsContact O-N 3.12Å; F95-T182 PolarHBondContact O-OG1 2.93Å; F95-A185 VanDerWaalsContact O-CB 3.29Å; F95-A185 WeakPolarHBondContact O-CB 3.34Å
96R95.3Very high96.3Very high19 Ų1949 Ų497%0.07227%0.267CS..  trans-84.1170.3174.667.1-177179.4151.212.5112.8A185 H197 D301 P315 F316R96-A185 HydrophobicContact CB-CB 4.49Å; R96-H197 PolarHBondContact NH1-O 2.78Å; R96-H197 PolarHBondContact NH2-O 2.84Å; R96-D301 WeakPolarHBondContact CG-OD2 3.31Å; R96-D301 IonicContact CZ-OD1 3.81Å; R96-D301 IonicContact CZ-OD2 2.68Å; R96-D301 IonicContact NE-OD1 3.56Å; R96-D301 IonicContact NE-OD2 3.71Å; R96-D301 PolarHBondContact NE-OD2 3.42Å; R96-D301 IonicContact NH2-OD1 3.27Å; R96-D301 PolarHBondContact NH2-OD1 3.42Å; R96-D301 IonicContact NH2-OD2 3.57Å; R96-P315 PolarHBondContact NH1-O 2.92Å; R96-F316 HydrophobicContact CB-CD2 3.97Å; R96-F316 HydrophobicContact CB-CE2 4.01Å
97V97.4Very high96.4Very high1 Ų147.5 Ų47.51%0.00625%0.252CS..  trans-63.6161.7177.9740000111.3L145 V147 I181 I187 L193 H197V97-L145 HydrophobicContact CB-CD1 4.04Å; V97-L145 HydrophobicContact CG2-CB 4.24Å; V97-L145 HydrophobicContact CG2-CD1 3.91Å; V97-V147 HydrophobicContact CG2-CG2 3.67Å; V97-I181 HydrophobicContact CB-CG2 4.48Å; V97-I187 HydrophobicContact CB-CD1 4.24Å; V97-I187 HydrophobicContact CG1-CD1 3.64Å; V97-L193 HydrophobicContact CG1-CD1 4.25Å; V97-L193 HydrophobicContact CG1-CD2 4.21Å; V97-L193 HydrophobicContact CG2-CD1 4.31Å; V97-H197 PolarHBondContact O-NE2 2.82Å
98G97.6Very high96.6Very high0 Ų045.4 Ų45.40%025%0.245CC..  trans-116.3-174.6169.600000112.1F179 V299G98-F179 VanDerWaalsContact CA-CE1 3.44Å; G98-V299 CarbonylContact C-O 3.36Å; G98-V299 VanDerWaalsContact CA-O 3.3Å; G98-V299 WeakPolarHBondContact CA-O 3.02Å
99L98.4Very high96.7Very high0 Ų041.8 Ų41.80%023%0.229CC..EExtended strand (participates in β ladder)trans-116.1160.2-177.2-57.6-176.3000112.6V124 L193 Y194 H197 F198 I283 V299L99-V124 HydrophobicContact CD1-CG1 4.47Å; L99-V124 HydrophobicContact CD1-CG2 3.78Å; L99-L193 HydrophobicContact CD2-CB 3.49Å; L99-L193 VanDerWaalsContact CD2-CB 3.49Å; L99-L193 HydrophobicContact CD2-CD1 3.96Å; L99-L193 HydrophobicContact CD2-CG 4.29Å; L99-Y194 WeakPolarHBondContact CD1-O 3.21Å; L99-H197 HydrophobicContact CD1-CB 4.2Å; L99-H197 HydrophobicContact CD2-CB 4.38Å; L99-F198 HydrophobicContact CB-CE2 3.98Å; L99-F198 HydrophobicContact CD1-CD2 3.58Å; L99-F198 HydrophobicContact CD1-CE2 3.48Å; L99-F198 VanDerWaalsContact CD1-CE2 3.48Å; L99-F198 HydrophobicContact CG-CD2 4.17Å; L99-F198 HydrophobicContact CG-CE2 3.57Å; L99-F198 HydrophobicContact CG-CZ 4.33Å; L99-I283 HydrophobicContact CD1-CD1 4.12Å; L99-V299 PolarHBondContact N-O 2.97Å; L99-V299 PolarHBondContact O-N 3.02Å
100I98.6Very high96.8Very high2 Ų243.7 Ų43.71%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-110.8121.1163.7-60.8178.8000107.8C127 V147 K177 L296 V297I100-C127 PolarHBondContact N-SG 3.43Å; I100-C127 VanDerWaalsContact N-SG 3.45Å; I100-V147 HydrophobicContact CD1-CG1 4.4Å; I100-V147 WeakPolarHBondContact CD1-O 3.49Å; I100-V147 HydrophobicContact CG1-CG1 4.39Å; I100-K177 HydrophobicContact CD1-CB 3.89Å; I100-K177 HydrophobicContact CD1-CG 3.79Å; I100-K177 HydrophobicContact CG1-CB 4.35Å; I100-K177 HydrophobicContact CG1-CG 4.26Å; I100-L296 HydrophobicContact CG2-CB 4.42Å; I100-L296 HydrophobicContact CG2-CD2 4.07Å; I100-V297 WeakPolarHBondContact CA-O 3.34Å
101A98.5Very high96.9Very high0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-122.7162.2-178.300000111.5L122 Q123 V124 L296 V297 V299A101-L122 HydrophobicContact CB-CB 3.87Å; A101-Q123 CarbonylContact C-O 3.53Å; A101-Q123 VanDerWaalsContact CA-O 3.29Å; A101-Q123 WeakPolarHBondContact CA-O 3.38Å; A101-V124 HydrophobicContact CB-CG2 4.28Å; A101-L296 CarbonylContact O-C 3.59Å; A101-L296 WeakPolarHBondContact O-CA 3.38Å; A101-V297 HydrophobicContact CB-CG2 4.08Å; A101-V297 PolarHBondContact N-O 2.9Å; A101-V297 WeakPolarHBondContact O-CG2 3.33Å; A101-V297 PolarHBondContact O-N 3.36Å; A101-V299 HydrophobicContact CB-CG2 4.3Å
102L98.6Very high97Very high12 Ų1241 Ų416%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-103.1123.9174.5-173.7155.5000108.9L104 L122 Q123 K150 N294 C295 L296L102-L104 HydrophobicContact CD2-CD2 3.6Å; L102-L104 HydrophobicContact CD2-CG 4.18Å; L102-L104 PolarHBondContact O-N 2.89Å; L102-L122 CarbonylContact O-C 3.48Å; L102-L122 WeakPolarHBondContact O-CA 3.18Å; L102-Q123 PolarHBondContact N-O 2.83Å; L102-Q123 PolarHBondContact O-N 3.4Å; L102-K150 HydrophobicContact CD1-CD 4.29Å; L102-N294 HydrophobicContact CD2-CB 4.33Å; L102-C295 WeakPolarHBondContact CA-O 3.39Å; L102-L296 HydrophobicContact CB-CD2 4.43Å
103K98.6Very high97Very high18 Ų1840.9 Ų40.98%0.07821%0.206CC..EExtended strand (participates in β ladder)trans-75.4104177.7178.7-178.8175-176.70110.4T120 L122 V289 G291 K293 N294 C295 V297K103-T120 HydrophobicContact CD-CG2 4.27Å; K103-T120 HydrophobicContact CG-CG2 3.86Å; K103-L122 HydrophobicContact CB-CD2 3.96Å; K103-L122 HydrophobicContact CG-CD2 4.23Å; K103-V289 HydrophobicContact CD-CB 4.37Å; K103-V289 HydrophobicContact CD-CG1 4.45Å; K103-V289 PolarHBondContact NZ-O 2.94Å; K103-G291 PolarHBondContact NZ-O 2.84Å; K103-K293 CarbonylContact O-C 3.59Å; K103-N294 WeakPolarHBondContact O-CA 3.49Å; K103-N294 PolarHBondContact O-N 3.41Å; K103-C295 PolarHBondContact N-O 3.39Å; K103-V297 HydrophobicContact CB-CG1 4.12Å
104L98.3Very high97.2Very high58 Ų5841.5 Ų41.530%0.30421%0.212SC..EExtended strand (participates in β ladder)trans-74.8-56.7-179.5-67.3173.6000111.5L102 L121 Q123 I282L102-L104 HydrophobicContact CD2-CD2 3.6Å; L102-L104 HydrophobicContact CD2-CG 4.18Å; L102-L104 PolarHBondContact O-N 2.89Å; L104-L121 HydrophobicContact CB-CB 4.18Å; L104-L121 HydrophobicContact CD1-CB 4.39Å; L104-L121 PolarHBondContact N-O 3.45Å; L104-Q123 HydrophobicContact CD1-CB 3.88Å; L104-Q123 HydrophobicContact CD2-CB 4.5Å; L104-Q123 HydrophobicContact CG-CB 4.06Å; L104-I282 HydrophobicContact CD1-CD1 4.18Å
105G98Very high97.3Very high11 Ų1146.1 Ų46.111%0.11323%0.231CC..EExtended strand (participates in β ladder)trans-177.5-163.7-169.900000112.5T120 L121G105-T120 WeakPolarHBondContact O-CA 3.48Å; G105-T120 WeakPolarHBondContact O-CG2 3.44Å; G105-L121 PolarHBondContact O-N 3.48Å
106M98.6Very high97.5Very high90 Ų9047.8 Ų47.844%0.44324%0.239SC..EExtended strand (participates in β ladder)trans-130.8147.1178-62.5178.169.500109.2V118 V119M106-V118 HydrophobicContact CB-CG2 4.41Å; M106-V118 HydrophobicContact CE-CG1 4.25Å; M106-V118 HydrophobicContact CE-CG2 3.56Å; M106-V119 CarbonylContact C-O 3.59Å; M106-V119 WeakPolarHBondContact CA-O 3.42Å
107M98.1Very high97.6Very high68 Ų6849 Ų4934%0.33525%0.245SC..EExtended strand (participates in β ladder)trans-141.9156176.368.9179.4-73.900110.6V119 L121 Y284M107-V119 HydrophobicContact CG-CG2 3.44Å; M107-V119 VanDerWaalsContact CG-CG2 3.44Å; M107-V119 PolarHBondContact N-O 2.9Å; M107-V119 WeakPolarHBondContact O-CG2 3.35Å; M107-V119 PolarHBondContact O-N 3.03Å; M107-V119 HydrophobicContact SD-CG2 4.4Å; M107-L121 HydrophobicContact CB-CD1 4.11Å; M107-L121 HydrophobicContact CG-CD1 3.8Å; M107-L121 HydrophobicContact SD-CD1 4.08Å; M107-L121 HydrophobicContact SD-CD2 4.1Å; M107-L121 HydrophobicContact SD-CG 4.29Å; M107-Y284 HydrophobicContact SD-CD1 3.89Å; M107-Y284 HydrophobicContact SD-CE1 3.53Å; M107-Y284 VanDerWaalsContact SD-CE1 3.53Å
108P98Very high97.6Very high53 Ų5352.2 Ų52.234%0.34426%0.264SS..EExtended strand (participates in β ladder)trans-73.8152.3168.732.9-34.9000111.1W110P108-W110 HydrophobicContact CB-CH2 3.85Å; P108-W110 HydrophobicContact CB-CZ2 4.22Å; P108-W110 HydrophobicContact CB-CZ3 4.09Å; P108-W110 HydrophobicContact CG-CH2 3.69Å; P108-W110 HydrophobicContact CG-CZ2 4.46Å; P108-W110 HydrophobicContact CG-CZ3 3.98Å
109L97.7Very high97.7Very high16 Ų1652.2 Ų52.28%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-142138.8171.6-177.9149.7000107.8H117 V119 W274 V337L109-H117 PolarHBondContact N-O 3.48Å; L109-H117 PolarHBondContact O-N 2.99Å; L109-V119 HydrophobicContact CB-CG1 3.96Å; L109-V119 HydrophobicContact CB-CG2 4.21Å; L109-V119 HydrophobicContact CD1-CG1 4.27Å; L109-W274 HydrophobicContact CD1-CB 3.94Å; L109-W274 HydrophobicContact CD1-CG 4.47Å; L109-W274 HydrophobicContact CD2-CD2 4.49Å; L109-W274 HydrophobicContact CD2-CG 4.49Å; L109-V337 HydrophobicContact CD1-CG1 4.04Å; L109-V337 HydrophobicContact CD2-CG1 3.99Å; L109-V337 HydrophobicContact CD2-CG2 4.02Å; L109-V337 HydrophobicContact CG-CG1 4.16Å
110W97.7Very high97.7Very high134 Ų13452.2 Ų52.251%0.50826%0.264SS..EExtended strand (participates in β ladder)trans-109.6139.6179.5-66-97000110.8P108 E115 C338P108-W110 HydrophobicContact CB-CH2 3.85Å; P108-W110 HydrophobicContact CB-CZ2 4.22Å; P108-W110 HydrophobicContact CB-CZ3 4.09Å; P108-W110 HydrophobicContact CG-CH2 3.69Å; P108-W110 HydrophobicContact CG-CZ2 4.46Å; P108-W110 HydrophobicContact CG-CZ3 3.98Å; W110-E115 WeakPolarHBondContact CA-O 3.46Å; W110-C338 PolarHBondContact O-N 2.66Å; W110-C338 VanDerWaalsContact O-N 3.11Å
111T97.3Very high97.7Very high2 Ų253.4 Ų53.41%0.01227%0.271CS..BIsolated β-bridgetrans-87.4165.4171.152.50000111D113 G114 E115 W274 N336 C338 I345T111-D113 PolarHBondContact O-N 2.75Å; T111-G114 PolarHBondContact O-N 2.92Å; T111-E115 PolarHBondContact N-O 3.39Å; T111-E115 WeakPolarHBondContact OG1-CB 3.37Å; T111-E115 PolarHBondContact OG1-N 3.33Å; T111-E115 PolarHBondContact OG1-O 2.94Å; T111-W274 HydrophobicContact CG2-CH2 3.95Å; T111-W274 HydrophobicContact CG2-CZ3 4.19Å; T111-N336 CarbonylContact C-O 3.59Å; T111-N336 WeakPolarHBondContact CA-O 3.31Å; T111-N336 VanDerWaalsContact CB-O 3.31Å; T111-N336 WeakPolarHBondContact CB-O 3.47Å; T111-C338 PolarHBondContact O-SG 3.1Å; T111-I345 WeakPolarHBondContact O-CD1 3.07Å
112K96.4Very high97.7Very high112 Ų11253.4 Ų53.449%0.48727%0.271SS..THydrogen-bonded Turntrans-62.6-23.4173.6-68.1177.3178.5170.90112.7G114 E335 N336 V337 C338 I345K112-G114 PolarHBondContact O-N 3.16Å; K112-E335 WeakPolarHBondContact CD-O 3.17Å; K112-E335 WeakPolarHBondContact CE-O 3.48Å; K112-E335 PolarHBondContact NZ-O 2.92Å; K112-N336 PolarHBondContact N-O 3.46Å; K112-V337 WeakPolarHBondContact CE-O 3.38Å; K112-C338 WeakPolarHBondContact CA-SG 3.3Å; K112-C338 PolarHBondContact N-SG 3.29Å; K112-C338 VanDerWaalsContact N-SG 3.43Å; K112-I345 WeakPolarHBondContact O-CG2 3.22Å
113D95.3Very high97.7Very high102 Ų10255 Ų5555%0.54528%0.278SS..THydrogen-bonded Turntrans-76.2-2.9174.5-49.2-48.1000113.1T111 E115 F347T111-D113 PolarHBondContact O-N 2.75Å; D113-E115 VanDerWaalsContact C-N 3.31Å; D113-E115 HydrophobicContact CB-CG 4.46Å; D113-F347 WeakPolarHBondContact O-CZ 3.31Å
114G94.3Very high97.7Very high40 Ų4054.6 Ų54.641%0.41228%0.277SS..SBendtrans832.1-177.700000114.4T111 K112T111-G114 PolarHBondContact O-N 2.92Å; K112-G114 PolarHBondContact O-N 3.16Å
115E96.6Very high97.6Very high116 Ų11654.7 Ų54.754%0.54228%0.276SS..  trans-76.4143.4177.6-57.9-168.3161.500112W110 T111 D113 H117W110-E115 WeakPolarHBondContact CA-O 3.46Å; T111-E115 PolarHBondContact N-O 3.39Å; T111-E115 WeakPolarHBondContact OG1-CB 3.37Å; T111-E115 PolarHBondContact OG1-N 3.33Å; T111-E115 PolarHBondContact OG1-O 2.94Å; D113-E115 VanDerWaalsContact C-N 3.31Å; D113-E115 HydrophobicContact CB-CG 4.46Å; E115-H117 IonicContact OE2-CE1 3.88Å; E115-H117 IonicContact OE2-NE2 3.66Å
116K97.4Very high97.4Very high150 Ų15057.3 Ų57.365%0.65229%0.287SS*.EExtended strand (participates in β ladder)trans-97.8115.8176.7-178.5-176.8177.3179.80110.3
117H98Very high97.4Very high45 Ų4553.2 Ų53.221%0.20827%0.267CS..EExtended strand (participates in β ladder)trans-103.3150.8168.4-63.6-76.7000111.4L109 E115 W274L109-H117 PolarHBondContact N-O 3.48Å; L109-H117 PolarHBondContact O-N 2.99Å; E115-H117 IonicContact OE2-CE1 3.88Å; E115-H117 IonicContact OE2-NE2 3.66Å; H117-W274 AromaticContact CD2-CZ2 3.95Å
118V98.3Very high97.4Very high67 Ų6750.4 Ų50.441%0.40625%0.253SS..EExtended strand (participates in β ladder)trans-103.2132.9170.5670000108.6M106 G287M106-V118 HydrophobicContact CB-CG2 4.41Å; M106-V118 HydrophobicContact CE-CG1 4.25Å; M106-V118 HydrophobicContact CE-CG2 3.56Å; V118-G287 WeakPolarHBondContact O-CA 3.29Å; V118-G287 PolarHBondContact O-N 2.96Å
119V98.4Very high97.4Very high0 Ų047.9 Ų47.90%024%0.237CC..EExtended strand (participates in β ladder)trans-123.1147.8-179-56.50000111M106 M107 L109 W274 Y284 V285M106-V119 CarbonylContact C-O 3.59Å; M106-V119 WeakPolarHBondContact CA-O 3.42Å; M107-V119 HydrophobicContact CG-CG2 3.44Å; M107-V119 VanDerWaalsContact CG-CG2 3.44Å; M107-V119 PolarHBondContact N-O 2.9Å; M107-V119 WeakPolarHBondContact O-CG2 3.35Å; M107-V119 PolarHBondContact O-N 3.03Å; M107-V119 HydrophobicContact SD-CG2 4.4Å; L109-V119 HydrophobicContact CB-CG1 3.96Å; L109-V119 HydrophobicContact CB-CG2 4.21Å; L109-V119 HydrophobicContact CD1-CG1 4.27Å; V119-W274 VanDerWaalsContact CG1-CD1 3.44Å; V119-W274 HydrophobicContact CG1-CG 4.25Å; V119-Y284 HydrophobicContact CG2-CD1 4.22Å; V119-V285 CarbonylContact C-O 3.56Å; V119-V285 VanDerWaalsContact CA-O 3.26Å; V119-V285 WeakPolarHBondContact CA-O 3.3Å; V119-V285 WeakPolarHBondContact CB-O 3.48Å
120T98.8Very high97.4Very high0 Ų047.3 Ų47.30%023%0.234CC..EExtended strand (participates in β ladder)trans-102.2131.7173.6-60.70000109.5K103 G105 L122 V285 G287 V289K103-T120 HydrophobicContact CD-CG2 4.27Å; K103-T120 HydrophobicContact CG-CG2 3.86Å; G105-T120 WeakPolarHBondContact O-CA 3.48Å; G105-T120 WeakPolarHBondContact O-CG2 3.44Å; T120-L122 HydrophobicContact CG2-CD2 3.94Å; T120-V285 PolarHBondContact N-O 2.9Å; T120-V285 PolarHBondContact O-N 2.77Å; T120-G287 PolarHBondContact OG1-O 2.72Å; T120-V289 HydrophobicContact CG2-CB 4.13Å; T120-V289 HydrophobicContact CG2-CG2 3.96Å
121L98.7Very high97.4Very high28 Ų2845.7 Ų45.715%0.14723%0.23CC..EExtended strand (participates in β ladder)trans-87.8122.9177-5990.1000110.1L104 G105 M107 I282 Y284L104-L121 HydrophobicContact CB-CB 4.18Å; L104-L121 HydrophobicContact CD1-CB 4.39Å; L104-L121 PolarHBondContact N-O 3.45Å; G105-L121 PolarHBondContact O-N 3.48Å; M107-L121 HydrophobicContact CB-CD1 4.11Å; M107-L121 HydrophobicContact CG-CD1 3.8Å; M107-L121 HydrophobicContact SD-CD1 4.08Å; M107-L121 HydrophobicContact SD-CD2 4.1Å; M107-L121 HydrophobicContact SD-CG 4.29Å; L121-I282 HydrophobicContact CB-CG2 4.07Å; L121-I282 HydrophobicContact CD2-CG2 4.29Å; L121-Y284 HydrophobicContact CD2-CD1 4.27Å; L121-Y284 HydrophobicContact CD2-CE1 3.59Å; L121-Y284 HydrophobicContact CG-CD1 4.06Å; L121-Y284 HydrophobicContact CG-CE1 3.9Å
122L98.6Very high97.4Very high0 Ų048.9 Ų48.90%024%0.242CC..EExtended strand (participates in β ladder)trans-117.6112177.5-58.4-174.4000109.7A101 L102 K103 T120 V206 I282 I283 V285 V297 V299A101-L122 HydrophobicContact CB-CB 3.87Å; L102-L122 CarbonylContact O-C 3.48Å; L102-L122 WeakPolarHBondContact O-CA 3.18Å; K103-L122 HydrophobicContact CB-CD2 3.96Å; K103-L122 HydrophobicContact CG-CD2 4.23Å; T120-L122 HydrophobicContact CG2-CD2 3.94Å; L122-V206 HydrophobicContact CD1-CG2 4.29Å; L122-I282 WeakPolarHBondContact O-CA 3.5Å; L122-I283 HydrophobicContact CB-CB 4.38Å; L122-I283 PolarHBondContact N-O 3.24Å; L122-I283 PolarHBondContact O-N 3Å; L122-V285 HydrophobicContact CD1-CB 4.42Å; L122-V285 HydrophobicContact CD1-CG2 3.71Å; L122-V285 HydrophobicContact CG-CG2 4.27Å; L122-V297 HydrophobicContact CD1-CG2 4.1Å; L122-V297 HydrophobicContact CD2-CG2 3.83Å; L122-V299 HydrophobicContact CD1-CG2 3.78Å
123Q98.6Very high97.4Very high45 Ų4545.1 Ų45.121%0.2123%0.229CC..EExtended strand (participates in β ladder)trans-94127.8179.8-171.2-179.323.600111.2A101 L102 L104 Q125 N281 I282A101-Q123 CarbonylContact C-O 3.53Å; A101-Q123 VanDerWaalsContact CA-O 3.29Å; A101-Q123 WeakPolarHBondContact CA-O 3.38Å; L102-Q123 PolarHBondContact N-O 2.83Å; L102-Q123 PolarHBondContact O-N 3.4Å; L104-Q123 HydrophobicContact CD1-CB 3.88Å; L104-Q123 HydrophobicContact CD2-CB 4.5Å; L104-Q123 HydrophobicContact CG-CB 4.06Å; Q123-Q125 HydrophobicContact CG-CG 3.97Å; Q123-N281 CarbonylContact C-O 3.52Å; Q123-N281 WeakPolarHBondContact CA-O 3.08Å; Q123-I282 HydrophobicContact CB-CG1 4.29Å; Q123-I282 HydrophobicContact CG-CG1 4.13Å
124V98.3Very high97.5Very high9 Ų941.9 Ų41.96%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-87.3117.3174.1-174.50000108L99 A101 C127 A195 N281 I283L99-V124 HydrophobicContact CD1-CG1 4.47Å; L99-V124 HydrophobicContact CD1-CG2 3.78Å; A101-V124 HydrophobicContact CB-CG2 4.28Å; V124-C127 HydrophobicContact CG1-CB 3.51Å; V124-A195 HydrophobicContact CG2-CB 4.07Å; V124-N281 HydrophobicContact CB-CB 4.19Å; V124-N281 PolarHBondContact N-O 3.22Å; V124-I283 HydrophobicContact CG2-CD1 3.83Å; V124-I283 HydrophobicContact CG2-CG1 4.48Å
125Q95.7Very high97.5Very high61 Ų6144.1 Ų44.129%0.28521%0.213SC..  trans-123.5121-179.7-63.4-178.30.400109.7Q123 C127 K150Q123-Q125 HydrophobicContact CG-CG 3.97Å; Q125-C127 VanDerWaalsContact C-N 3.26Å; Q125-C127 PolarHBondContact O-N 2.7Å; Q125-K150 PolarHBondContact O-N 3.09Å
126D95.1Very high97.4Very high66 Ų6646.9 Ų46.935%0.35323%0.226SC..SBendtrans43.847.8177.7-55.6-30.2000113.9H128 T151 K173D126-H128 VanDerWaalsContact C-ND1 3.26Å; D126-H128 PolarHBondContact O-N 2.87Å; D126-H128 PolarHBondContact O-ND1 2.97Å; D126-T151 WeakPolarHBondContact CB-OG1 3.45Å; D126-T151 WeakPolarHBondContact OD2-CB 3.46Å; D126-T151 PolarHBondContact OD2-OG1 2.85Å; D126-K173 WeakPolarHBondContact O-CE 3.34Å
127C98Very high97.2Very high3 Ų345.8 Ų45.82%0.0223%0.227CC..EExtended strand (participates in β ladder)trans-82.7118.4-179-161.80000109.8I100 V124 Q125 V147 G148 P192 L193I100-C127 PolarHBondContact N-SG 3.43Å; I100-C127 VanDerWaalsContact N-SG 3.45Å; V124-C127 HydrophobicContact CG1-CB 3.51Å; Q125-C127 VanDerWaalsContact C-N 3.26Å; Q125-C127 PolarHBondContact O-N 2.7Å; C127-V147 WeakPolarHBondContact SG-CG1 3.41Å; C127-G148 WeakPolarHBondContact CA-O 3.33Å; C127-P192 CarbonylContact O-C 3.47Å; C127-L193 HydrophobicContact CB-CB 4.25Å; C127-L193 PolarHBondContact O-N 3.45Å
128H98.3Very high96.8Very high9 Ų947 Ų474%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-136.5148.4-177.2-63.475.5000110.8D126 V147 G148 L170 T191D126-H128 VanDerWaalsContact C-ND1 3.26Å; D126-H128 PolarHBondContact O-N 2.87Å; D126-H128 PolarHBondContact O-ND1 2.97Å; H128-V147 WeakPolarHBondContact O-CA 3.38Å; H128-G148 PolarHBondContact N-O 2.88Å; H128-G148 VanDerWaalsContact N-O 3.16Å; H128-G148 PolarHBondContact O-N 2.94Å; H128-L170 HydrophobicContact CB-CD1 3.74Å; H128-T191 WeakPolarHBondContact CA-O 3.32Å
129V98.1Very high96.2Very high0 Ų047.2 Ų47.20%023%0.232CC..EExtended strand (participates in β ladder)trans-72.8129.9169.1-178.50000109L145 I187 G190 T191 L193V129-L145 HydrophobicContact CG1-CD2 3.7Å; V129-I187 HydrophobicContact CG2-CB 4.36Å; V129-I187 HydrophobicContact CG2-CG2 4.06Å; V129-G190 PolarHBondContact O-N 3.04Å; V129-T191 PolarHBondContact N-O 2.84Å; V129-L193 HydrophobicContact CG2-CD1 4.01Å; V129-L193 HydrophobicContact CG2-CD2 4.4Å; V129-L193 HydrophobicContact CG2-CG 4.27Å
130L97.9Very high95.7Very high5 Ų549.4 Ų49.43%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-102.2-44.9-175.6-58.9-176.4000113.2S146 F164 Y165 L168 V176L130-S146 WeakPolarHBondContact CB-O 3.25Å; L130-S146 PolarHBondContact N-O 3.13Å; L130-F164 HydrophobicContact CB-CE1 4.15Å; L130-F164 HydrophobicContact CB-CZ 4Å; L130-F164 HydrophobicContact CD1-CE1 4.45Å; L130-Y165 HydrophobicContact CD1-CE1 4.38Å; L130-Y165 WeakPolarHBondContact CD1-OH 3.42Å; L130-Y165 HydrophobicContact CD2-CE1 3.78Å; L130-L168 HydrophobicContact CB-CD2 4.31Å; L130-L168 HydrophobicContact CD2-CD2 3.71Å; L130-V176 HydrophobicContact CD1-CB 4.31Å; L130-V176 HydrophobicContact CD1-CG1 3.83Å; L130-V176 HydrophobicContact CD1-CG2 3.55Å
131K97.3Very high95.3Very high99 Ų9957.7 Ų57.743%0.4329%0.29SS..EExtended strand (participates in β ladder)trans-153.9150.4178.864169.8-171.9177.80110.7S146 F164K131-S146 WeakPolarHBondContact CE-OG 3.39Å; K131-S146 VanDerWaalsContact CG-CB 3.48Å; K131-S146 WeakPolarHBondContact CG-OG 3.15Å; K131-S146 PolarHBondContact O-N 3.28Å; K131-F164 HydrophobicContact CB-CZ 4.47Å
132Y97.6Very high95Very high69 Ų6957.7 Ų57.727%0.27129%0.291SS..EExtended strand (participates in β ladder)trans-105143.5169.7172.8-106.5000109.7W85 A143 L145 I181 A186W85-Y132 AromaticContact CH2-CD1 3.8Å; W85-Y132 HydrophobicContact CH2-CD1 3.8Å; W85-Y132 AromaticContact CH2-CG 3.99Å; W85-Y132 HydrophobicContact CH2-CG 3.99Å; W85-Y132 AromaticContact CZ3-CD1 3.95Å; W85-Y132 HydrophobicContact CZ3-CD1 3.95Å; W85-Y132 HydrophobicContact CZ3-CD2 4.4Å; W85-Y132 HydrophobicContact CZ3-CE1 4.44Å; W85-Y132 AromaticContact CZ3-CG 3.92Å; W85-Y132 HydrophobicContact CZ3-CG 3.92Å; Y132-A143 HydrophobicContact CE2-CB 3.76Å; Y132-L145 HydrophobicContact CD2-CD2 3.77Å; Y132-L145 HydrophobicContact CD2-CG 4.36Å; Y132-L145 HydrophobicContact CG-CD2 4.35Å; Y132-I181 HydrophobicContact CD2-CD1 4.49Å; Y132-I181 HydrophobicContact CE2-CD1 4.19Å; Y132-A186 HydrophobicContact CD2-CB 4.41Å; Y132-A186 HydrophobicContact CE2-CB 3.93Å
133T96.8Very high94.9Very high33 Ų3357.7 Ų57.720%0.20229%0.291CS..EExtended strand (participates in β ladder)trans-133.7122.3173.5-54.70000107.7N137 H138 A144T133-N137 HydrophobicContact CG2-CB 3.77Å; T133-H138 HydrophobicContact CG2-CB 3.98Å; T133-A144 PolarHBondContact N-O 3.05Å; T133-A144 PolarHBondContact O-N 3.25Å
134S96.4Very high94.8Very high34 Ų3455.6 Ų55.624%0.23828%0.282CS..  trans-62.8161-179.462.20000112E136 N137 H138S134-E136 VanDerWaalsContact C-N 3.29Å; S134-E136 PolarHBondContact O-N 2.96Å; S134-N137 PolarHBondContact O-N 3.06Å; S134-N137 PolarHBondContact OG-ND2 3.3Å; S134-H138 WeakPolarHBondContact O-CB 3.4Å; S134-H138 PolarHBondContact O-N 3.16Å; S134-H138 VanDerWaalsContact O-N 3.16Å
135K94.3Very high94.7Very high87 Ų8755.2 Ų55.238%0.37828%0.279SS..Hα-helixtrans-52.9-44.3179.2180176.2174-178.60113.1H138 N139 G140 K141K135-H138 PolarHBondContact O-N 3.33Å; K135-N139 PolarHBondContact O-N 3.25Å; K135-G140 WeakPolarHBondContact CE-O 3.44Å; K135-G140 WeakPolarHBondContact O-CA 3.46Å; K135-G140 PolarHBondContact O-N 3.03Å; K135-K141 VanDerWaalsContact CE-O 3.25Å; K135-K141 WeakPolarHBondContact CE-O 2.87Å
136E94.4Very high94.9Very high174 Ų17452.5 Ų52.581%0.81327%0.267SS*.Hα-helixtrans-61.1-43.5179.4-63.8175.417900112.1S134 H138S134-E136 VanDerWaalsContact C-N 3.29Å; S134-E136 PolarHBondContact O-N 2.96Å; E136-H138 PolarHBondContact O-N 3.22Å
137N94.1Very high95Very high128 Ų12849.3 Ų49.368%0.68425%0.25SS*.Hα-helixtrans-83.3-9-175.5-70.8-42.4000114.1T133 S134T133-N137 HydrophobicContact CG2-CB 3.77Å; S134-N137 PolarHBondContact O-N 3.06Å; S134-N137 PolarHBondContact OG-ND2 3.3Å
138H90.2Very high95Very high70 Ų7049.2 Ų49.232%0.32425%0.249SC..Hα-helixtrans-103.6-76.4-175.9179.2-114.4000113.4T133 S134 K135 E136 T142 A144 N180T133-H138 HydrophobicContact CG2-CB 3.98Å; S134-H138 WeakPolarHBondContact O-CB 3.4Å; S134-H138 PolarHBondContact O-N 3.16Å; S134-H138 VanDerWaalsContact O-N 3.16Å; K135-H138 PolarHBondContact O-N 3.33Å; E136-H138 PolarHBondContact O-N 3.22Å; H138-T142 PolarHBondContact ND1-O 3.39Å; H138-A144 HydrophobicContact CB-CB 4.19Å; H138-A144 VanDerWaalsContact CD2-CB 3.47Å; H138-A144 WeakPolarHBondContact CD2-CB 3.36Å; H138-N180 PolarHBondContact CE1-OD1 2.89Å
139N85.2Confident94.9Very high72 Ų7248.8 Ų48.839%0.38525%0.247SC..THydrogen-bonded Turntrans-141.57.4-175.170.65.1000113.5K135 K141 T142K135-N139 PolarHBondContact O-N 3.25Å; N139-K141 PolarHBondContact O-N 3.15Å; N139-K141 VanDerWaalsContact O-N 3.09Å; N139-K141 PolarHBondContact OD1-N 2.94Å; N139-T142 PolarHBondContact ND2-OG1 3.12Å; N139-T142 PolarHBondContact OD1-N 3.04Å; N139-T142 PolarHBondContact OD1-O 3.11Å; N139-T142 PolarHBondContact OD1-OG1 3.21Å
140G87.1Confident94.9Very high46 Ų4651.8 Ų51.847%0.47426%0.26SS..SBendtrans71.5-8.9-177.200000115.6K135K135-G140 WeakPolarHBondContact CE-O 3.44Å; K135-G140 WeakPolarHBondContact O-CA 3.46Å; K135-G140 PolarHBondContact O-N 3.03Å
141K90Very high94.8Very high174 Ų17453.1 Ų53.176%0.75727%0.269SS*.SBendtrans-110.8-43.8-176-65.6-171.8180-174.90113.4K135 N139K135-K141 VanDerWaalsContact CE-O 3.25Å; K135-K141 WeakPolarHBondContact CE-O 2.87Å; N139-K141 PolarHBondContact O-N 3.15Å; N139-K141 VanDerWaalsContact O-N 3.09Å; N139-K141 PolarHBondContact OD1-N 2.94Å
142T93.4Very high94.8Very high27 Ų2749.9 Ų49.917%0.16626%0.257CS..SBendtrans-137.7143.6-175.2570000109.9H138 N139 I181H138-T142 PolarHBondContact ND1-O 3.39Å; N139-T142 PolarHBondContact ND2-OG1 3.12Å; N139-T142 PolarHBondContact OD1-N 3.04Å; N139-T142 PolarHBondContact OD1-O 3.11Å; N139-T142 PolarHBondContact OD1-OG1 3.21Å; T142-I181 WeakPolarHBondContact CB-O 3.46Å
143A95.6Very high94.8Very high0 Ų049.4 Ų49.40%026%0.264CS..EExtended strand (participates in β ladder)trans-66.6164.7165.500000111.1Y132 N180 I181 D183Y132-A143 HydrophobicContact CE2-CB 3.76Å; A143-N180 WeakPolarHBondContact O-CA 3.37Å; A143-I181 HydrophobicContact CB-CD1 4.35Å; A143-I181 HydrophobicContact CB-CG1 4.03Å; A143-I181 PolarHBondContact N-O 3.27Å; A143-I181 VanDerWaalsContact N-O 3.14Å; A143-I181 PolarHBondContact O-N 3.15Å; A143-D183 WeakPolarHBondContact CB-OD1 3.49Å
144A96.8Very high94.7Very high2 Ų250 Ų502%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-130129.9-178.200000112T133 H138 I178 F179T133-A144 PolarHBondContact N-O 3.05Å; T133-A144 PolarHBondContact O-N 3.25Å; H138-A144 HydrophobicContact CB-CB 4.19Å; H138-A144 VanDerWaalsContact CD2-CB 3.47Å; H138-A144 WeakPolarHBondContact CD2-CB 3.36Å; A144-I178 HydrophobicContact CB-CG2 3.71Å; A144-F179 WeakPolarHBondContact CA-O 3.37Å
145L97.5Very high94.6Very high0 Ų051.8 Ų51.80%027%0.266CS..EExtended strand (participates in β ladder)trans-106.8125.9167.7-77.6175.9000109.9V97 V129 Y132 I178 F179 I181 I187V97-L145 HydrophobicContact CB-CD1 4.04Å; V97-L145 HydrophobicContact CG2-CB 4.24Å; V97-L145 HydrophobicContact CG2-CD1 3.91Å; V129-L145 HydrophobicContact CG1-CD2 3.7Å; Y132-L145 HydrophobicContact CD2-CD2 3.77Å; Y132-L145 HydrophobicContact CD2-CG 4.36Å; Y132-L145 HydrophobicContact CG-CD2 4.35Å; L145-I178 CarbonylContact O-C 3.56Å; L145-I178 WeakPolarHBondContact O-CA 3.36Å; L145-F179 PolarHBondContact N-O 3.26Å; L145-F179 PolarHBondContact O-N 2.8Å; L145-I181 HydrophobicContact CD1-CD1 3.57Å; L145-I181 HydrophobicContact CD1-CG1 4.34Å; L145-I181 HydrophobicContact CD1-CG2 4.23Å; L145-I181 HydrophobicContact CG-CD1 3.55Å; L145-I181 HydrophobicContact CG-CG1 4.12Å; L145-I187 HydrophobicContact CD1-CB 4.22Å; L145-I187 HydrophobicContact CD1-CD1 4.49Å; L145-I187 HydrophobicContact CD1-CG1 4.37Å
146S98.1Very high94.6Very high4 Ų458.3 Ų58.33%0.02829%0.289CS..EExtended strand (participates in β ladder)trans-91124.1170-59.80000108.9L130 K131L130-S146 WeakPolarHBondContact CB-O 3.25Å; L130-S146 PolarHBondContact N-O 3.13Å; K131-S146 WeakPolarHBondContact CE-OG 3.39Å; K131-S146 VanDerWaalsContact CG-CB 3.48Å; K131-S146 WeakPolarHBondContact CG-OG 3.15Å; K131-S146 PolarHBondContact O-N 3.28Å
147V98.5Very high94.7Very high0 Ų053.3 Ų53.30%026%0.264CS..EExtended strand (participates in β ladder)trans-118137.3-179.8177.80000108.8V97 I100 C127 H128 V176 K177 F179 L193V97-V147 HydrophobicContact CG2-CG2 3.67Å; I100-V147 HydrophobicContact CD1-CG1 4.4Å; I100-V147 WeakPolarHBondContact CD1-O 3.49Å; I100-V147 HydrophobicContact CG1-CG1 4.39Å; C127-V147 WeakPolarHBondContact SG-CG1 3.41Å; H128-V147 WeakPolarHBondContact O-CA 3.38Å; V147-V176 CarbonylContact O-C 3.6Å; V147-V176 WeakPolarHBondContact O-CA 3.46Å; V147-K177 PolarHBondContact N-O 2.87Å; V147-K177 PolarHBondContact O-N 2.76Å; V147-F179 HydrophobicContact CB-CD2 4.06Å; V147-F179 HydrophobicContact CB-CE2 3.82Å; V147-F179 HydrophobicContact CG2-CD2 3.77Å; V147-F179 HydrophobicContact CG2-CE2 3.97Å; V147-L193 HydrophobicContact CG1-CD1 4Å; V147-L193 HydrophobicContact CG2-CD1 4.2Å
148G97.9Very high94.8Very high0 Ų050.1 Ų50.10%026%0.256CS..EExtended strand (participates in β ladder)trans-104.4152.317400000111.2C127 H128 T175C127-G148 WeakPolarHBondContact CA-O 3.33Å; H128-G148 PolarHBondContact N-O 2.88Å; H128-G148 VanDerWaalsContact N-O 3.16Å; H128-G148 PolarHBondContact O-N 2.94Å; G148-T175 WeakPolarHBondContact CA-O 3.49Å
149G95.8Very high95.1Very high0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-145151.9172.900000111.9Q174 T175G149-Q174 PolarHBondContact O-N 2.82Å; G149-T175 PolarHBondContact N-O 3.06Å
150K97.1Very high95.7Very high63 Ų6352 Ų5227%0.27428%0.277SS..EExtended strand (participates in β ladder)trans56.9115-175.2-179.1173.5174.4-160.90114.2L102 Q125 K173 Q174 L296L102-K150 HydrophobicContact CD1-CD 4.29Å; Q125-K150 PolarHBondContact O-N 3.09Å; K150-K173 CarbonylContact O-C 3.58Å; K150-K173 WeakPolarHBondContact O-CA 3.26Å; K150-Q174 HydrophobicContact CB-CB 4.35Å; K150-Q174 VanDerWaalsContact CD-OE1 3.26Å; K150-Q174 VanDerWaalsContact CE-OE1 3.32Å; K150-Q174 PolarHBondContact O-N 3.45Å; K150-L296 HydrophobicContact CB-CD1 4.18Å; K150-L296 HydrophobicContact CB-CD2 3.82Å; K150-L296 HydrophobicContact CD-CD1 4.31Å; K150-L296 HydrophobicContact CD-CD2 4.32Å
151T97.5Very high96.2Very high33 Ų3352.6 Ų52.620%0.20227%0.271CS..EExtended strand (participates in β ladder)trans-67.9141.7176.8-55.90000111.4D126 P171 K173D126-T151 WeakPolarHBondContact CB-OG1 3.45Å; D126-T151 WeakPolarHBondContact OD2-CB 3.46Å; D126-T151 PolarHBondContact OD2-OG1 2.85Å; T151-P171 HydrophobicContact CG2-CB 3.69Å; T151-P171 HydrophobicContact CG2-CG 3.72Å; T151-K173 PolarHBondContact OG1-NZ 2.92Å
152V97.1Very high96.5Very high31 Ų3147 Ų4719%0.18825%0.249CC..  trans-135.8153.6178.8-67.50000110.8R154 P172 Q174V152-R154 PolarHBondContact O-N 3.18Å; V152-P172 HydrophobicContact CG2-CB 4.28Å; V152-P172 WeakPolarHBondContact CG2-O 3.44Å; V152-P172 PolarHBondContact N-O 2.9Å; V152-Q174 HydrophobicContact CG1-CB 3.51Å; V152-Q174 HydrophobicContact CG1-CG 3.95Å
153S96.1Very high96.7Very high59 Ų5950.1 Ų50.141%0.41326%0.261SS..  trans-55.8132.4178.7177.70000112.4F155S153-F155 VanDerWaalsContact C-N 3.29Å; S153-F155 PolarHBondContact O-N 2.76Å; S153-F155 VanDerWaalsContact OG-CD2 3.26Å; S153-F155 WeakPolarHBondContact OG-CD2 3.34Å; S153-F155 PolarHBondContact OG-N 2.6Å
154R95.4Very high96.8Very high46 Ų4653.7 Ų53.717%0.17428%0.277CS..G310 helixtrans-64.1-28.3176.257.4-178.874.1-173.2-1.5113.5V65 E68 D69 V152 R156 K157 L162 P172V65-R154 HydrophobicContact CG1-CG 4.16Å; E68-R154 IonicContact OE1-CZ 3.98Å; E68-R154 IonicContact OE1-NH1 3.61Å; E68-R154 PolarHBondContact OE1-NH1 2.85Å; E68-R154 IonicContact OE1-NH2 3.51Å; E68-R154 PolarHBondContact OE1-NH2 3.14Å; E68-R154 IonicContact OE2-CZ 2.64Å; E68-R154 IonicContact OE2-NH1 2.78Å; E68-R154 PolarHBondContact OE2-NH1 3.18Å; E68-R154 IonicContact OE2-NH2 3.43Å; D69-R154 IonicContact OD1-CZ 2.94Å; D69-R154 IonicContact OD1-NE 3.04Å; D69-R154 IonicContact OD1-NH2 3.46Å; D69-R154 PolarHBondContact OD1-NH2 2.9Å; V152-R154 PolarHBondContact O-N 3.18Å; R154-R156 PolarHBondContact O-N 2.9Å; R154-R156 VanDerWaalsContact O-N 3.08Å; R154-K157 PolarHBondContact O-N 3.45Å; R154-L162 HydrophobicContact CB-CD2 3.75Å; R154-P172 HydrophobicContact CB-CG 4.16Å
155F94.8Very high96.8Very high72 Ų7254 Ų5432%0.31628%0.278SS..G310 helixtrans-65.2-17.1-175.1-58.5-58.1000115.3W49 I61 V65 S153W49-F155 HydrophobicContact CB-CB 3.97Å; W49-F155 HydrophobicContact CB-CD1 3.63Å; W49-F155 HydrophobicContact CB-CE1 4.31Å; W49-F155 HydrophobicContact CB-CG 3.9Å; W49-F155 HydrophobicContact CD2-CB 4.4Å; W49-F155 AromaticContact CD2-CD1 3.99Å; W49-F155 HydrophobicContact CD2-CD1 3.99Å; W49-F155 AromaticContact CD2-CD2 3.81Å; W49-F155 HydrophobicContact CD2-CD2 3.81Å; W49-F155 HydrophobicContact CD2-CE1 4.17Å; W49-F155 HydrophobicContact CD2-CE2 4.02Å; W49-F155 AromaticContact CD2-CG 3.81Å; W49-F155 HydrophobicContact CD2-CG 3.81Å; W49-F155 HydrophobicContact CD2-CZ 4.18Å; W49-F155 HydrophobicContact CE3-CD1 4.16Å; W49-F155 HydrophobicContact CE3-CD2 4.2Å; W49-F155 AromaticContact CE3-CE1 3.87Å; W49-F155 HydrophobicContact CE3-CE1 3.87Å; W49-F155 AromaticContact CE3-CE2 3.92Å; W49-F155 HydrophobicContact CE3-CE2 3.92Å; W49-F155 HydrophobicContact CE3-CG 4.32Å; W49-F155 AromaticContact CE3-CZ 3.74Å; W49-F155 HydrophobicContact CE3-CZ 3.74Å; W49-F155 HydrophobicContact CG-CB 3.72Å; W49-F155 AromaticContact CG-CD1 3.76Å; W49-F155 HydrophobicContact CG-CD1 3.76Å; W49-F155 HydrophobicContact CG-CD2 4.05Å; W49-F155 HydrophobicContact CG-CE1 4.37Å; W49-F155 AromaticContact CG-CG 3.58Å; W49-F155 HydrophobicContact CG-CG 3.58Å; W49-F155 HydrophobicContact CZ3-CE2 4.17Å; W49-F155 HydrophobicContact CZ3-CZ 4.12Å; I61-F155 HydrophobicContact CG2-CZ 3.85Å; V65-F155 HydrophobicContact CG2-CZ 3.86Å; S153-F155 VanDerWaalsContact C-N 3.29Å; S153-F155 PolarHBondContact O-N 2.76Å; S153-F155 VanDerWaalsContact OG-CD2 3.26Å; S153-F155 WeakPolarHBondContact OG-CD2 3.34Å; S153-F155 PolarHBondContact OG-N 2.6Å
156R94.3Very high96.8Very high224 Ų22462.5 Ų62.585%0.84531%0.31SS*.G310 helixtrans-111.523.9-177.3-60.1-176.7-176.9-177.60.5112.7R154R154-R156 PolarHBondContact O-N 2.9Å; R154-R156 VanDerWaalsContact O-N 3.08Å
157K96.4Very high96.7Very high68 Ų6870 Ų7030%0.29634%0.344SS..SBendtrans-115.7150-178.4-64.1-64-179173.40110.7R154 L162 P172R154-K157 PolarHBondContact O-N 3.45Å; K157-L162 HydrophobicContact CB-CD2 3.85Å; K157-L162 HydrophobicContact CB-CG 4.08Å; K157-P172 HydrophobicContact CG-CB 4.22Å
158A96.6Very high96.6Very high62 Ų6271.4 Ų71.451%0.51235%0.352SS..  trans-66.8148.2174.900000110.3P160 V161 L162A158-P160 VanDerWaalsContact C-CD 3.44Å; A158-V161 HydrophobicContact CB-CG2 4.36Å; A158-V161 WeakPolarHBondContact O-CB 3.3Å; A158-V161 PolarHBondContact O-N 3.03Å; A158-L162 PolarHBondContact O-N 3.43Å; A158-L162 VanDerWaalsContact O-N 3.16Å
159T96.1Very high96.5Very high99 Ų9972.4 Ų72.461%0.60736%0.362SS*.Hα-helixtrans-54.5-41.7-178.846.80000114.1V161 L162 E163T159-V161 PolarHBondContact O-N 3.4Å; T159-L162 WeakPolarHBondContact O-CB 3.4Å; T159-L162 PolarHBondContact O-N 2.94Å; T159-E163 WeakPolarHBondContact O-CG 3.34Å; T159-E163 PolarHBondContact O-N 2.99Å
160P97.8Very high96.5Very high83 Ų8372.5 Ų72.554%0.53936%0.362SS..Hα-helixtrans-67.5-28.1179.7-18.934.1000112.7A158 F164A158-P160 VanDerWaalsContact C-CD 3.44Å; P160-F164 WeakPolarHBondContact O-CB 3.49Å; P160-F164 PolarHBondContact O-N 2.88Å; P160-F164 VanDerWaalsContact O-N 3.15Å
161V97.2Very high96.5Very high58 Ų5869.5 Ų69.535%0.35235%0.349SS..Hα-helixtrans-70.2-41.5175.1178.80000109.4A158 T159 F164 Y165A158-V161 HydrophobicContact CB-CG2 4.36Å; A158-V161 WeakPolarHBondContact O-CB 3.3Å; A158-V161 PolarHBondContact O-N 3.03Å; T159-V161 PolarHBondContact O-N 3.4Å; V161-F164 PolarHBondContact O-N 3.39Å; V161-Y165 HydrophobicContact CG1-CD2 3.74Å; V161-Y165 HydrophobicContact CG1-CE2 3.64Å; V161-Y165 WeakPolarHBondContact O-CD2 3.46Å; V161-Y165 PolarHBondContact O-N 3.5Å; V161-Y165 VanDerWaalsContact O-N 3.13Å
162L96.2Very high96.6Very high56 Ų5668.1 Ų68.129%0.29334%0.341SS..Hα-helixtrans-64.8-42177.5-65.6178.3000112.1R154 K157 A158 T159 Y165 R166 P172R154-L162 HydrophobicContact CB-CD2 3.75Å; K157-L162 HydrophobicContact CB-CD2 3.85Å; K157-L162 HydrophobicContact CB-CG 4.08Å; A158-L162 PolarHBondContact O-N 3.43Å; A158-L162 VanDerWaalsContact O-N 3.16Å; T159-L162 WeakPolarHBondContact O-CB 3.4Å; T159-L162 PolarHBondContact O-N 2.94Å; L162-Y165 PolarHBondContact O-N 2.81Å; L162-R166 WeakPolarHBondContact O-CB 3.34Å; L162-R166 PolarHBondContact O-N 3.27Å; L162-P172 HydrophobicContact CD2-CG 3.83Å
163E97.7Very high96.6Very high93 Ų9366.9 Ų66.944%0.43533%0.333SS..Hα-helixtrans-60-47.1176.1-71167.2178.500111.5T159 Y165 R166 E167T159-E163 WeakPolarHBondContact O-CG 3.34Å; T159-E163 PolarHBondContact O-N 2.99Å; E163-Y165 VanDerWaalsContact C-N 3.33Å; E163-Y165 PolarHBondContact O-N 3.12Å; E163-R166 WeakPolarHBondContact O-CB 3.16Å; E163-R166 PolarHBondContact O-N 2.91Å; E163-R166 VanDerWaalsContact O-N 3.16Å; E163-E167 PolarHBondContact O-N 2.68Å
164F97.9Very high96.6Very high74 Ų7468.4 Ų68.433%0.32533%0.334SS..Hα-helixtrans-56-44.9174.9172.3-96.7000112.8L130 K131 P160 V161 L168L130-F164 HydrophobicContact CB-CE1 4.15Å; L130-F164 HydrophobicContact CB-CZ 4Å; L130-F164 HydrophobicContact CD1-CE1 4.45Å; K131-F164 HydrophobicContact CB-CZ 4.47Å; P160-F164 WeakPolarHBondContact O-CB 3.49Å; P160-F164 PolarHBondContact O-N 2.88Å; P160-F164 VanDerWaalsContact O-N 3.15Å; V161-F164 PolarHBondContact O-N 3.39Å; F164-L168 HydrophobicContact CE1-CD2 4.41Å; F164-L168 PolarHBondContact O-N 3.01Å
165Y97.7Very high96.7Very high8 Ų867.8 Ų67.83%0.03134%0.335CS..Hα-helixtrans-72.5-31.1179.2-84-69.5000112.9L130 V161 L162 E163 L168 G169 L170 P172 K173L130-Y165 HydrophobicContact CD1-CE1 4.38Å; L130-Y165 WeakPolarHBondContact CD1-OH 3.42Å; L130-Y165 HydrophobicContact CD2-CE1 3.78Å; V161-Y165 HydrophobicContact CG1-CD2 3.74Å; V161-Y165 HydrophobicContact CG1-CE2 3.64Å; V161-Y165 WeakPolarHBondContact O-CD2 3.46Å; V161-Y165 PolarHBondContact O-N 3.5Å; V161-Y165 VanDerWaalsContact O-N 3.13Å; L162-Y165 PolarHBondContact O-N 2.81Å; E163-Y165 VanDerWaalsContact C-N 3.33Å; E163-Y165 PolarHBondContact O-N 3.12Å; Y165-L168 PolarHBondContact O-N 3.04Å; Y165-G169 PolarHBondContact O-N 3.27Å; Y165-L170 WeakPolarHBondContact CB-O 3.38Å; Y165-L170 HydrophobicContact CD1-CB 4.39Å; Y165-L170 WeakPolarHBondContact CD1-O 3.32Å; Y165-L170 PolarHBondContact O-N 2.91Å; Y165-P172 HydrophobicContact CD2-CB 3.83Å; Y165-P172 HydrophobicContact CD2-CG 4.09Å; Y165-P172 HydrophobicContact CE2-CB 4.02Å; Y165-P172 HydrophobicContact CG-CB 4.28Å; Y165-P172 HydrophobicContact CG-CG 4.25Å; Y165-K173 HydrophobicContact CE1-CG 4.05Å; Y165-K173 WeakPolarHBondContact OH-CB 3.42Å; Y165-K173 PolarHBondContact OH-N 2.94Å
166R96.3Very high96.9Very high180 Ų18067.6 Ų67.668%0.67934%0.34SS*.Hα-helixtrans-65.2-44.3174.3-177-179.465.4-171-2.1111.4L162 E163 L168 G169L162-R166 WeakPolarHBondContact O-CB 3.34Å; L162-R166 PolarHBondContact O-N 3.27Å; E163-R166 WeakPolarHBondContact O-CB 3.16Å; E163-R166 PolarHBondContact O-N 2.91Å; E163-R166 VanDerWaalsContact O-N 3.16Å; R166-L168 VanDerWaalsContact C-N 3.28Å; R166-L168 PolarHBondContact O-N 2.9Å; R166-G169 PolarHBondContact O-N 3.08Å
167E96.7Very high97.1Very high160 Ų16059.4 Ų59.475%0.74831%0.31SS*.Hα-helixtrans-63.1-36.1175.3-71.5172.4-169.200112.1E163E163-E167 PolarHBondContact O-N 2.68Å
168L95.9Very high97.1Very high30 Ų3060 Ų6016%0.15732%0.316CS..Hα-helixtrans-77.3-21.3178.9-168.164.3000113.4L130 F164 Y165 R166 L170 P189L130-L168 HydrophobicContact CB-CD2 4.31Å; L130-L168 HydrophobicContact CD2-CD2 3.71Å; F164-L168 HydrophobicContact CE1-CD2 4.41Å; F164-L168 PolarHBondContact O-N 3.01Å; Y165-L168 PolarHBondContact O-N 3.04Å; R166-L168 VanDerWaalsContact C-N 3.28Å; R166-L168 PolarHBondContact O-N 2.9Å; L168-L170 HydrophobicContact CD2-CB 4.38Å; L168-L170 HydrophobicContact CD2-CD1 3.83Å; L168-L170 HydrophobicContact CG-CB 4.49Å; L168-L170 HydrophobicContact CG-CD1 4.12Å; L168-L170 HydrophobicContact CG-CG 4.44Å; L168-P189 HydrophobicContact CD1-CB 3.9Å
169G95.9Very high97.2Very high21 Ų2157.3 Ų57.322%0.21629%0.293CS..THydrogen-bonded Turntrans69.537.1-17500000113.3Y165 R166Y165-G169 PolarHBondContact O-N 3.27Å; R166-G169 PolarHBondContact O-N 3.08Å
170L96.7Very high97.3Very high2 Ų256.8 Ų56.81%0.0129%0.286CS..SBendtrans-132.9149178.3-80.4176.3000110.9L73 K76 H128 Y165 L168L73-L170 HydrophobicContact CD2-CD2 4.17Å; K76-L170 HydrophobicContact CB-CD2 4.32Å; K76-L170 HydrophobicContact CG-CD2 3.85Å; K76-L170 HydrophobicContact CG-CG 4.42Å; H128-L170 HydrophobicContact CB-CD1 3.74Å; Y165-L170 WeakPolarHBondContact CB-O 3.38Å; Y165-L170 HydrophobicContact CD1-CB 4.39Å; Y165-L170 WeakPolarHBondContact CD1-O 3.32Å; Y165-L170 PolarHBondContact O-N 2.91Å; L168-L170 HydrophobicContact CD2-CB 4.38Å; L168-L170 HydrophobicContact CD2-CD1 3.83Å; L168-L170 HydrophobicContact CG-CB 4.49Å; L168-L170 HydrophobicContact CG-CD1 4.12Å; L168-L170 HydrophobicContact CG-CG 4.44Å
171P97.4Very high97.2Very high0 Ų052.8 Ų52.80%026%0.261CS..PPolyproline II helixtrans-72.9150.5175.230.5-35.6000111.3D69 L73 T151 K173D69-P171 HydrophobicContact CB-CB 4.35Å; D69-P171 WeakPolarHBondContact OD1-CB 3.49Å; L73-P171 HydrophobicContact CD1-CG 4.29Å; L73-P171 HydrophobicContact CD2-CG 3.85Å; L73-P171 HydrophobicContact CG-CG 3.96Å; T151-P171 HydrophobicContact CG2-CB 3.69Å; T151-P171 HydrophobicContact CG2-CG 3.72Å; P171-K173 WeakPolarHBondContact O-CD 3.49Å
172P97.8Very high97.1Very high5 Ų551.5 Ų51.53%0.03225%0.253CS..PPolyproline II helixtrans-58.4139.5-175.6-25.734.9000113.8V152 R154 K157 L162 Y165V152-P172 HydrophobicContact CG2-CB 4.28Å; V152-P172 WeakPolarHBondContact CG2-O 3.44Å; V152-P172 PolarHBondContact N-O 2.9Å; R154-P172 HydrophobicContact CB-CG 4.16Å; K157-P172 HydrophobicContact CG-CB 4.22Å; L162-P172 HydrophobicContact CD2-CG 3.83Å; Y165-P172 HydrophobicContact CD2-CB 3.83Å; Y165-P172 HydrophobicContact CD2-CG 4.09Å; Y165-P172 HydrophobicContact CE2-CB 4.02Å; Y165-P172 HydrophobicContact CG-CB 4.28Å; Y165-P172 HydrophobicContact CG-CG 4.25Å
173K97.8Very high97.1Very high5 Ų552.7 Ų52.72%0.02226%0.259CS..EExtended strand (participates in β ladder)trans-100152.4178.4-52.4-53.2-174-161.80112.9D126 K150 T151 Y165 P171D126-K173 WeakPolarHBondContact O-CE 3.34Å; K150-K173 CarbonylContact O-C 3.58Å; K150-K173 WeakPolarHBondContact O-CA 3.26Å; T151-K173 PolarHBondContact OG1-NZ 2.92Å; Y165-K173 HydrophobicContact CE1-CG 4.05Å; Y165-K173 WeakPolarHBondContact OH-CB 3.42Å; Y165-K173 PolarHBondContact OH-N 2.94Å; P171-K173 WeakPolarHBondContact O-CD 3.49Å
174Q97.1Very high97Very high90 Ų9049.3 Ų49.342%0.42124%0.244SC..EExtended strand (participates in β ladder)trans-70.5-48.9-176.7-169.6172.5-2300111.9G149 K150 V152 L296G149-Q174 PolarHBondContact O-N 2.82Å; K150-Q174 HydrophobicContact CB-CB 4.35Å; K150-Q174 VanDerWaalsContact CD-OE1 3.26Å; K150-Q174 VanDerWaalsContact CE-OE1 3.32Å; K150-Q174 PolarHBondContact O-N 3.45Å; V152-Q174 HydrophobicContact CG1-CB 3.51Å; V152-Q174 HydrophobicContact CG1-CG 3.95Å; Q174-L296 HydrophobicContact CB-CD1 3.68Å; Q174-L296 HydrophobicContact CG-CD1 3.83Å
175T97.1Very high96.9Very high34 Ų3445.8 Ų45.821%0.20923%0.229CC..EExtended strand (participates in β ladder)trans-127.7136.2-179.559.30000110.4G148 G149 L296G148-T175 WeakPolarHBondContact CA-O 3.49Å; G149-T175 PolarHBondContact N-O 3.06Å; T175-L296 HydrophobicContact CG2-CB 4.24Å; T175-L296 HydrophobicContact CG2-CD1 3.59Å; T175-L296 WeakPolarHBondContact OG1-CD1 3.36Å
176V98.1Very high96.8Very high68 Ų6846.4 Ų46.441%0.41224%0.235SC..EExtended strand (participates in β ladder)trans-110.4132.2171-177.40000108.3L130 V147L130-V176 HydrophobicContact CD1-CB 4.31Å; L130-V176 HydrophobicContact CD1-CG1 3.83Å; L130-V176 HydrophobicContact CD1-CG2 3.55Å; V147-V176 CarbonylContact O-C 3.6Å; V147-V176 WeakPolarHBondContact O-CA 3.46Å
177K98.3Very high96.8Very high51 Ų5138.1 Ų38.122%0.22221%0.205CC..EExtended strand (participates in β ladder)trans-127.8141.9175.2-61.4-64.1174-165.10109.8I100 V147 F179 Y265 K298I100-K177 HydrophobicContact CD1-CB 3.89Å; I100-K177 HydrophobicContact CD1-CG 3.79Å; I100-K177 HydrophobicContact CG1-CB 4.35Å; I100-K177 HydrophobicContact CG1-CG 4.26Å; V147-K177 PolarHBondContact N-O 2.87Å; V147-K177 PolarHBondContact O-N 2.76Å; K177-F179 HydrophobicContact CB-CE2 4.04Å; K177-Y265 PolarHBondContact NZ-OH 3.21Å; K177-K298 HydrophobicContact CB-CD 4.22Å; K177-K298 HydrophobicContact CB-CG 4.32Å; K177-K298 HydrophobicContact CG-CB 4.34Å; K177-K298 HydrophobicContact CG-CD 4.44Å; K177-K298 HydrophobicContact CG-CG 4.38Å
178I98Very high96.8Very high81 Ų8133.1 Ų33.142%0.41518%0.18SC..EExtended strand (participates in β ladder)trans-95.4132.6177.7-55.7173.1000108.4A144 L145 K298A144-I178 HydrophobicContact CB-CG2 3.71Å; L145-I178 CarbonylContact O-C 3.56Å; L145-I178 WeakPolarHBondContact O-CA 3.36Å; I178-K298 PolarHBondContact O-NZ 2.83Å
179F97.9Very high96.9Very high5 Ų533.7 Ų33.72%0.02219%0.186CC..EExtended strand (participates in β ladder)trans-113.6131173.8-65.6-93.3000108.5G98 A144 L145 V147 K177 K298 V299 R300G98-F179 VanDerWaalsContact CA-CE1 3.44Å; A144-F179 WeakPolarHBondContact CA-O 3.37Å; L145-F179 PolarHBondContact N-O 3.26Å; L145-F179 PolarHBondContact O-N 2.8Å; V147-F179 HydrophobicContact CB-CD2 4.06Å; V147-F179 HydrophobicContact CB-CE2 3.82Å; V147-F179 HydrophobicContact CG2-CD2 3.77Å; V147-F179 HydrophobicContact CG2-CE2 3.97Å; K177-F179 HydrophobicContact CB-CE2 4.04Å; F179-K298 VanDerWaalsContact CD1-CE 3.43Å; F179-K298 HydrophobicContact CE1-CD 4.04Å; F179-K298 HydrophobicContact CE1-CG 3.61Å; F179-K298 HydrophobicContact CE2-CG 4.43Å; F179-K298 HydrophobicContact CZ-CD 4.14Å; F179-K298 HydrophobicContact CZ-CG 3.48Å; F179-K298 VanDerWaalsContact CZ-CG 3.48Å; F179-V299 WeakPolarHBondContact CE1-O 3.28Å; F179-R300 HydrophobicContact CD1-CB 4.29Å; F179-R300 HydrophobicContact CE1-CB 4.1Å
180N97.2Very high96.9Very high88 Ų8833 Ų3347%0.47118%0.179SC..EExtended strand (participates in β ladder)trans-82127.4172.5-62.9-7.1000107H138 A143H138-N180 PolarHBondContact CE1-OD1 2.89Å; A143-N180 WeakPolarHBondContact O-CA 3.37Å
181I96.8Very high96.9Very high0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-129.3163.6-177.658.7148.8000110.3F95 V97 Y132 T142 A143 L145 A185F95-I181 WeakPolarHBondContact O-CA 3.38Å; F95-I181 WeakPolarHBondContact O-CB 3.36Å; V97-I181 HydrophobicContact CB-CG2 4.48Å; Y132-I181 HydrophobicContact CD2-CD1 4.49Å; Y132-I181 HydrophobicContact CE2-CD1 4.19Å; T142-I181 WeakPolarHBondContact CB-O 3.46Å; A143-I181 HydrophobicContact CB-CD1 4.35Å; A143-I181 HydrophobicContact CB-CG1 4.03Å; A143-I181 PolarHBondContact N-O 3.27Å; A143-I181 VanDerWaalsContact N-O 3.14Å; A143-I181 PolarHBondContact O-N 3.15Å; L145-I181 HydrophobicContact CD1-CD1 3.57Å; L145-I181 HydrophobicContact CD1-CG1 4.34Å; L145-I181 HydrophobicContact CD1-CG2 4.23Å; L145-I181 HydrophobicContact CG-CD1 3.55Å; L145-I181 HydrophobicContact CG-CG1 4.12Å; I181-A185 HydrophobicContact CB-CB 4.37Å; I181-A185 WeakPolarHBondContact CD1-O 3.47Å
182T95.8Very high96.9Very high30 Ų3033.6 Ų33.618%0.18418%0.183CC..  trans-85.2159.1166.146.10000110.8F95 N184 A185F95-T182 HydrophobicContact CB-CG2 4.29Å; F95-T182 HydrophobicContact CD2-CG2 3.79Å; F95-T182 HydrophobicContact CG-CG2 4.46Å; F95-T182 PolarHBondContact N-OG1 3.32Å; F95-T182 PolarHBondContact O-N 3.23Å; F95-T182 VanDerWaalsContact O-N 3.12Å; F95-T182 PolarHBondContact O-OG1 2.93Å; T182-N184 VanDerWaalsContact C-N 3.27Å; T182-N184 WeakPolarHBondContact CB-OD1 3.41Å; T182-N184 PolarHBondContact O-N 2.84Å; T182-N184 PolarHBondContact OG1-OD1 3.14Å; T182-A185 PolarHBondContact O-N 2.96Å
183D94.8Very high96.9Very high82 Ų8233.6 Ų33.644%0.43918%0.182SC..G310 helixtrans-64.7-32-173.1-59.9-28.3000112.2A143 A185 A186A143-D183 WeakPolarHBondContact CB-OD1 3.49Å; D183-A185 PolarHBondContact O-N 3.02Å; D183-A186 WeakPolarHBondContact O-CB 3.37Å; D183-A186 PolarHBondContact O-N 2.86Å
184N95.6Very high96.9Very high22 Ų2235.5 Ų35.512%0.11819%0.189CC..G310 helixtrans-69-12.3173.766.1-26.3000114.2H88 S94 T182 F316H88-N184 HydrophobicContact CB-CB 3.81Å; S94-N184 PolarHBondContact OG-ND2 3.17Å; T182-N184 VanDerWaalsContact C-N 3.27Å; T182-N184 WeakPolarHBondContact CB-OD1 3.41Å; T182-N184 PolarHBondContact O-N 2.84Å; T182-N184 PolarHBondContact OG1-OD1 3.14Å; N184-F316 HydrophobicContact CB-CE1 4.44Å; N184-F316 HydrophobicContact CB-CZ 4.35Å; N184-F316 VanDerWaalsContact O-CE1 3.29Å; N184-F316 WeakPolarHBondContact O-CE1 3.27Å; N184-F316 WeakPolarHBondContact O-CZ 3.43Å
185A95.8Very high96.9Very high0 Ų031.2 Ų31.20%017%0.169CC..G310 helixtrans-103.118.3178.700000113.1F95 R96 I181 T182 D183 F316F95-A185 VanDerWaalsContact O-CB 3.29Å; F95-A185 WeakPolarHBondContact O-CB 3.34Å; R96-A185 HydrophobicContact CB-CB 4.49Å; I181-A185 HydrophobicContact CB-CB 4.37Å; I181-A185 WeakPolarHBondContact CD1-O 3.47Å; T182-A185 PolarHBondContact O-N 2.96Å; D183-A185 PolarHBondContact O-N 3.02Å; A185-F316 HydrophobicContact CB-CE2 3.68Å; A185-F316 HydrophobicContact CB-CZ 3.57Å
186A96Very high96.9Very high20 Ų2029.7 Ų29.717%0.16516%0.16CC..  trans-66.5135.1178.600000111.2W85 Y132 D183W85-A186 HydrophobicContact CE3-CB 4.08Å; W85-A186 HydrophobicContact CZ3-CB 4.13Å; Y132-A186 HydrophobicContact CD2-CB 4.41Å; Y132-A186 HydrophobicContact CE2-CB 3.93Å; D183-A186 WeakPolarHBondContact O-CB 3.37Å; D183-A186 PolarHBondContact O-N 2.86Å
187I96.6Very high96.9Very high7 Ų726.4 Ų26.44%0.03614%0.141CC..  trans-126.4137.5178.9-58.5172.9000108.2V97 V129 L145 T191 L193 P317 T318V97-I187 HydrophobicContact CB-CD1 4.24Å; V97-I187 HydrophobicContact CG1-CD1 3.64Å; V129-I187 HydrophobicContact CG2-CB 4.36Å; V129-I187 HydrophobicContact CG2-CG2 4.06Å; L145-I187 HydrophobicContact CD1-CB 4.22Å; L145-I187 HydrophobicContact CD1-CD1 4.49Å; L145-I187 HydrophobicContact CD1-CG1 4.37Å; I187-T191 HydrophobicContact CG2-CG2 3.71Å; I187-L193 HydrophobicContact CD1-CD2 4.39Å; I187-P317 HydrophobicContact CD1-CB 4.13Å; I187-P317 HydrophobicContact CG1-CB 3.88Å; I187-P317 HydrophobicContact CG1-CG 4.19Å; I187-T318 HydrophobicContact CD1-CG2 3.9Å
188K96.5Very high96.9Very high55 Ų5524 Ų2424%0.23913%0.13CC..  trans-59.4134.6178-173.1178.6-179.9174.80111D82 E83 W85 T191D82-K188 PolarHBondContact O-NZ 2.85Å; E83-K188 WeakPolarHBondContact O-CD 3.45Å; E83-K188 PolarHBondContact O-NZ 3.27Å; E83-K188 IonicContact OE2-NZ 2.9Å; W85-K188 HydrophobicContact CD2-CB 4.13Å; W85-K188 HydrophobicContact CG-CB 4.14Å; K188-T191 WeakPolarHBondContact O-CB 3.36Å; K188-T191 PolarHBondContact O-N 3.14Å; K188-T191 PolarHBondContact O-OG1 3.31Å
189P97.2Very high96.8Very high42 Ų4223 Ų2327%0.27312%0.121SC..THydrogen-bonded Turntrans-55.4144.2171-26.136000112.6L168L168-P189 HydrophobicContact CD1-CB 3.9Å
190G95.9Very high96.8Very high6 Ų624.3 Ų24.36%0.06213%0.13CC..THydrogen-bonded Turntrans93.1-14.9-175.200000114.2V129V129-G190 PolarHBondContact O-N 3.04Å
191T97Very high96.8Very high10 Ų1021.4 Ų21.46%0.06112%0.121CC..  trans-65.6129.6-179.1-56.30000111.8P79 H128 V129 I187 K188 F320P79-T191 HydrophobicContact CB-CG2 3.78Å; P79-T191 HydrophobicContact CG-CG2 4.17Å; H128-T191 WeakPolarHBondContact CA-O 3.32Å; V129-T191 PolarHBondContact N-O 2.84Å; I187-T191 HydrophobicContact CG2-CG2 3.71Å; K188-T191 WeakPolarHBondContact O-CB 3.36Å; K188-T191 PolarHBondContact O-N 3.14Å; K188-T191 PolarHBondContact O-OG1 3.31Å; T191-F320 HydrophobicContact CG2-CE1 4.09Å
192P97.2Very high96.8Very high5 Ų522.3 Ų22.33%0.03213%0.125CC..EExtended strand (participates in β ladder)trans-73.8148.5173.831.5-35.5000111.4K76 P79 C127 Y194K76-P192 WeakPolarHBondContact O-CD 3.47Å; K76-P192 WeakPolarHBondContact O-CG 3.43Å; P79-P192 HydrophobicContact CG-CG 4.12Å; C127-P192 CarbonylContact O-C 3.47Å; P192-Y194 HydrophobicContact CB-CE2 4.03Å; P192-Y194 HydrophobicContact CG-CE2 3.97Å
193L97.8Very high96.9Very high4 Ų424.3 Ų24.32%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-124.2127.8177.6-59.8175.3000110V97 L99 C127 V129 V147 I187 T318V97-L193 HydrophobicContact CG1-CD1 4.25Å; V97-L193 HydrophobicContact CG1-CD2 4.21Å; V97-L193 HydrophobicContact CG2-CD1 4.31Å; L99-L193 HydrophobicContact CD2-CB 3.49Å; L99-L193 VanDerWaalsContact CD2-CB 3.49Å; L99-L193 HydrophobicContact CD2-CD1 3.96Å; L99-L193 HydrophobicContact CD2-CG 4.29Å; C127-L193 HydrophobicContact CB-CB 4.25Å; C127-L193 PolarHBondContact O-N 3.45Å; V129-L193 HydrophobicContact CG2-CD1 4.01Å; V129-L193 HydrophobicContact CG2-CD2 4.4Å; V129-L193 HydrophobicContact CG2-CG 4.27Å; V147-L193 HydrophobicContact CG1-CD1 4Å; V147-L193 HydrophobicContact CG2-CD1 4.2Å; I187-L193 HydrophobicContact CD1-CD2 4.39Å; L193-T318 HydrophobicContact CD2-CG2 4.06Å; L193-T318 WeakPolarHBondContact CD2-OG1 3.38Å
194Y97.9Very high97.1Very high45 Ų4520.4 Ų20.418%0.17611%0.109CC..  trans-108.1167-175.6-59.8-80.5000112.6L77 L99 P192 A196 H197 P321L77-Y194 WeakPolarHBondContact CD2-OH 3.37Å; L99-Y194 WeakPolarHBondContact CD1-O 3.21Å; P192-Y194 HydrophobicContact CB-CE2 4.03Å; P192-Y194 HydrophobicContact CG-CE2 3.97Å; Y194-A196 PolarHBondContact O-N 3.02Å; Y194-H197 VanDerWaalsContact O-CB 3.25Å; Y194-H197 WeakPolarHBondContact O-CB 3.35Å; Y194-H197 PolarHBondContact O-N 2.82Å; Y194-P321 HydrophobicContact CD2-CG 4.1Å; Y194-P321 HydrophobicContact CE2-CG 3.65Å
195A97.7Very high97.2Very high0 Ų019.3 Ų19.30%010%0.103CC..G310 helixtrans-64.3-29.4178.800000113.2V124 H197 F198 I276 N281 I283V124-A195 HydrophobicContact CG2-CB 4.07Å; A195-H197 PolarHBondContact O-N 3.37Å; A195-H197 VanDerWaalsContact O-N 3.12Å; A195-F198 PolarHBondContact O-N 2.69Å; A195-F198 VanDerWaalsContact O-N 3.11Å; A195-I276 HydrophobicContact CB-CG2 4.15Å; A195-N281 VanDerWaalsContact CB-C 3.46Å; A195-N281 HydrophobicContact CB-CB 3.95Å; A195-N281 PolarHBondContact N-OD1 3.29Å; A195-I283 HydrophobicContact CB-CD1 4.4Å; A195-I283 HydrophobicContact CB-CG1 3.86Å
196A97.1Very high97.4Very high2 Ų219.3 Ų19.32%0.01710%0.103CC..G310 helixtrans-68.1-3.117700000114.5Y194 F198 Y319 L328Y194-A196 PolarHBondContact O-N 3.02Å; A196-F198 CarbonylContact C-O 3.6Å; A196-F198 PolarHBondContact O-N 3.21Å; A196-F198 VanDerWaalsContact O-O 3.12Å; A196-Y319 HydrophobicContact CB-CD1 3.54Å; A196-Y319 HydrophobicContact CB-CD2 4.31Å; A196-Y319 HydrophobicContact CB-CE1 3.76Å; A196-Y319 HydrophobicContact CB-CE2 4.5Å; A196-Y319 HydrophobicContact CB-CG 3.81Å; A196-L328 HydrophobicContact CB-CD1 3.9Å
197H97.4Very high97.5Very high0 Ų019.6 Ų19.60%010%0.103CC..G310 helixtrans-54.6-35.1163.4178.485.3000111.3R96 V97 L99 Y194 A195 P315 T318R96-H197 PolarHBondContact NH1-O 2.78Å; R96-H197 PolarHBondContact NH2-O 2.84Å; V97-H197 PolarHBondContact O-NE2 2.82Å; L99-H197 HydrophobicContact CD1-CB 4.2Å; L99-H197 HydrophobicContact CD2-CB 4.38Å; Y194-H197 VanDerWaalsContact O-CB 3.25Å; Y194-H197 WeakPolarHBondContact O-CB 3.35Å; Y194-H197 PolarHBondContact O-N 2.82Å; A195-H197 PolarHBondContact O-N 3.37Å; A195-H197 VanDerWaalsContact O-N 3.12Å; H197-P315 WeakPolarHBondContact O-CG 3.17Å; H197-T318 PolarHBondContact ND1-OG1 3.11Å
198F98Very high97.6Very high0 Ų019.4 Ų19.40%010%0.102CC..SBendtrans-92.2153.3174.6-75.8-48.7000109.6L99 A195 A196 Q202 V204 I276 I283 V299 D301L99-F198 HydrophobicContact CB-CE2 3.98Å; L99-F198 HydrophobicContact CD1-CD2 3.58Å; L99-F198 HydrophobicContact CD1-CE2 3.48Å; L99-F198 VanDerWaalsContact CD1-CE2 3.48Å; L99-F198 HydrophobicContact CG-CD2 4.17Å; L99-F198 HydrophobicContact CG-CE2 3.57Å; L99-F198 HydrophobicContact CG-CZ 4.33Å; A195-F198 PolarHBondContact O-N 2.69Å; A195-F198 VanDerWaalsContact O-N 3.11Å; A196-F198 CarbonylContact C-O 3.6Å; A196-F198 PolarHBondContact O-N 3.21Å; A196-F198 VanDerWaalsContact O-O 3.12Å; F198-Q202 VanDerWaalsContact CG-NE2 3.28Å; F198-V204 HydrophobicContact CD1-CG1 3.89Å; F198-V204 HydrophobicContact CE1-CG1 3.78Å; F198-V204 HydrophobicContact CZ-CG1 4.36Å; F198-I276 HydrophobicContact CB-CD1 3.88Å; F198-I276 WeakPolarHBondContact O-CD1 3.38Å; F198-I283 HydrophobicContact CD2-CD1 3.61Å; F198-I283 HydrophobicContact CE2-CD1 4.19Å; F198-V299 HydrophobicContact CE2-CB 4.1Å; F198-V299 HydrophobicContact CE2-CG1 3.63Å; F198-V299 HydrophobicContact CZ-CB 4.26Å; F198-V299 HydrophobicContact CZ-CG1 3.67Å; F198-D301 WeakPolarHBondContact CE1-OD1 3.44Å
199R97.6Very high97.7Very high61 Ų6121.4 Ų21.423%0.2311%0.111CC..  trans-125.5151.7173-62.8-66.1178.5139.60.3110.9Q202 L314R199-Q202 WeakPolarHBondContact O-CG 3.43Å; R199-Q202 PolarHBondContact O-NE2 3.25Å; R199-Q202 VanDerWaalsContact O-NE2 3.14Å; R199-L314 HydrophobicContact CB-CD2 3.74Å; R199-L314 HydrophobicContact CG-CD2 3.92Å
200P97.7Very high97.7Very high31 Ų3120.9 Ų20.920%0.20111%0.107CC..THydrogen-bonded Turntrans-56.6152.8174.2-21.432.9000111.9Q202 I276 L332 D334P200-Q202 VanDerWaalsContact C-N 3.28Å; P200-Q202 PolarHBondContact O-N 2.99Å; P200-I276 HydrophobicContact CG-CG1 4.45Å; P200-L332 HydrophobicContact CG-CB 3.62Å; P200-L332 VanDerWaalsContact CG-O 3.32Å; P200-L332 WeakPolarHBondContact CG-O 3.18Å; P200-D334 HydrophobicContact CB-CB 3.91Å
201G96.4Very high97.8Very high27 Ų2725.4 Ų25.428%0.27813%0.129SC..THydrogen-bonded Turntrans87.8-23.7-18000000114.9V273G201-V273 PolarHBondContact N-O 3.22Å
202Q96.9Very high97.9Very high20 Ų2027.1 Ų27.19%0.09315%0.148CC..  trans-76.2163.9-179.583.2-167.4-2200113F198 R199 P200 V204 K272 V273F198-Q202 VanDerWaalsContact CG-NE2 3.28Å; R199-Q202 WeakPolarHBondContact O-CG 3.43Å; R199-Q202 PolarHBondContact O-NE2 3.25Å; R199-Q202 VanDerWaalsContact O-NE2 3.14Å; P200-Q202 VanDerWaalsContact C-N 3.28Å; P200-Q202 PolarHBondContact O-N 2.99Å; Q202-V204 HydrophobicContact CG-CG1 4.29Å; Q202-K272 CarbonylContact O-C 3.49Å; Q202-K272 WeakPolarHBondContact O-CA 3.43Å; Q202-V273 HydrophobicContact CG-CB 4.26Å; Q202-V273 HydrophobicContact CG-CG2 3.97Å; Q202-V273 PolarHBondContact O-N 3.3Å
203Y98.1Very high97.9Very high71 Ų7131.5 Ų31.528%0.27817%0.167SC..EExtended strand (participates in β ladder)trans-107.7133.3175-70-96000112.4G270 L271 K272 S302 Y307Y203-G270 WeakPolarHBondContact CD1-O 3.36Å; Y203-L271 WeakPolarHBondContact CA-O 3.45Å; Y203-K272 HydrophobicContact CD1-CB 4.15Å; Y203-K272 HydrophobicContact CE1-CB 3.85Å; Y203-K272 HydrophobicContact CE1-CG 4.45Å; Y203-S302 WeakPolarHBondContact O-CB 3.29Å; Y203-S302 PolarHBondContact O-N 2.73Å; Y203-Y307 HydrophobicContact CD1-CD2 4.25Å; Y203-Y307 HydrophobicContact CD1-CE1 4.23Å; Y203-Y307 AromaticContact CD1-CE2 3.64Å; Y203-Y307 HydrophobicContact CD1-CE2 3.64Å; Y203-Y307 AromaticContact CD1-CZ 3.63Å; Y203-Y307 AromaticContact CD2-CD1 3.62Å; Y203-Y307 HydrophobicContact CD2-CD1 3.62Å; Y203-Y307 HydrophobicContact CD2-CD2 4.2Å; Y203-Y307 AromaticContact CD2-CE1 3.55Å; Y203-Y307 HydrophobicContact CD2-CE1 3.55Å; Y203-Y307 HydrophobicContact CD2-CE2 4.14Å; Y203-Y307 AromaticContact CD2-CG 3.96Å; Y203-Y307 HydrophobicContact CD2-CG 3.96Å; Y203-Y307 AromaticContact CD2-CZ 3.82Å; Y203-Y307 HydrophobicContact CE1-CE1 4.17Å; Y203-Y307 HydrophobicContact CE1-CE2 4.12Å; Y203-Y307 AromaticContact CE1-CZ 3.64Å; Y203-Y307 WeakPolarHBondContact CE1-OH 3.49Å; Y203-Y307 AromaticContact CE2-CD1 3.98Å; Y203-Y307 HydrophobicContact CE2-CD1 3.98Å; Y203-Y307 AromaticContact CE2-CE1 3.5Å; Y203-Y307 HydrophobicContact CE2-CE1 3.5Å; Y203-Y307 AromaticContact CE2-CZ 3.86Å; Y203-Y307 HydrophobicContact CG-CD1 4.07Å; Y203-Y307 AromaticContact CG-CD2 3.78Å; Y203-Y307 HydrophobicContact CG-CD2 3.78Å; Y203-Y307 AromaticContact CG-CE1 3.93Å; Y203-Y307 HydrophobicContact CG-CE1 3.93Å; Y203-Y307 AromaticContact CG-CE2 3.63Å; Y203-Y307 HydrophobicContact CG-CE2 3.63Å; Y203-Y307 HydrophobicContact CG-CG 4.01Å; Y203-Y307 AromaticContact CG-CZ 3.71Å; Y203-Y307 AromaticContact CZ-CE1 3.81Å; Y203-Y307 AromaticContact CZ-CZ 3.75Å
204V98.4Very high98Very high0 Ų033.4 Ų33.40%019%0.187CC..EExtended strand (participates in β ladder)trans-122.2153.3179.7-62.50000112.1F198 Q202 V206 L271 V273 V285 V299 R300F198-V204 HydrophobicContact CD1-CG1 3.89Å; F198-V204 HydrophobicContact CE1-CG1 3.78Å; F198-V204 HydrophobicContact CZ-CG1 4.36Å; Q202-V204 HydrophobicContact CG-CG1 4.29Å; V204-V206 HydrophobicContact CG2-CG2 4.33Å; V204-L271 HydrophobicContact CG2-CB 4.44Å; V204-L271 WeakPolarHBondContact CG2-O 3.24Å; V204-L271 PolarHBondContact N-O 2.94Å; V204-L271 PolarHBondContact O-N 2.76Å; V204-V273 HydrophobicContact CG1-CG2 3.89Å; V204-V273 HydrophobicContact CG2-CG2 3.92Å; V204-V285 HydrophobicContact CG2-CG1 4.07Å; V204-V285 HydrophobicContact CG2-CG2 4.19Å; V204-V299 HydrophobicContact CB-CG1 3.99Å; V204-V299 HydrophobicContact CG1-CG1 4.3Å; V204-V299 HydrophobicContact CG2-CG1 4.15Å; V204-R300 CarbonylContact C-O 3.59Å; V204-R300 WeakPolarHBondContact CA-O 3.31Å; V204-R300 WeakPolarHBondContact CB-O 3.15Å
205D98.6Very high98Very high0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-106131.2169.8-64.4-16.2000109.8T267 A268 F269 G270 R300 S302 K303D205-T267 HydrophobicContact CB-CG2 4.1Å; D205-A268 WeakPolarHBondContact CA-O 3.46Å; D205-F269 HydrophobicContact CB-CD1 4.21Å; D205-F269 WeakPolarHBondContact OD1-CA 3.46Å; D205-F269 WeakPolarHBondContact OD1-CD1 3.38Å; D205-F269 VanDerWaalsContact OD2-CD1 3.24Å; D205-F269 WeakPolarHBondContact OD2-CD1 3.41Å; D205-G270 PolarHBondContact OD1-N 3.03Å; D205-R300 HydrophobicContact CB-CG 4.19Å; D205-R300 PolarHBondContact N-O 3.16Å; D205-R300 PolarHBondContact O-N 3.18Å; D205-R300 VanDerWaalsContact O-N 3.09Å; D205-R300 IonicContact OD2-CZ 3.71Å; D205-R300 IonicContact OD2-NH1 2.88Å; D205-R300 PolarHBondContact OD2-NH1 2.64Å; D205-R300 IonicContact OD2-NH2 3.57Å; D205-R300 PolarHBondContact OD2-NH2 3.14Å; D205-S302 WeakPolarHBondContact OD1-CA 3.44Å; D205-S302 WeakPolarHBondContact OD1-CB 3.46Å; D205-S302 PolarHBondContact OD1-OG 2.94Å; D205-K303 WeakPolarHBondContact OD2-CG 3.39Å; D205-K303 PolarHBondContact OD2-N 3.38Å
206V98.7Very high98Very high0 Ų040.2 Ų40.20%022%0.219CC..EExtended strand (participates in β ladder)trans-117.9122-179-1700000111.1L122 V204 T267 A268 L271 V289 V297 K298 V299L122-V206 HydrophobicContact CD1-CG2 4.29Å; V204-V206 HydrophobicContact CG2-CG2 4.33Å; V206-T267 CarbonylContact O-C 3.51Å; V206-T267 VanDerWaalsContact O-CA 3.29Å; V206-T267 WeakPolarHBondContact O-CA 3.12Å; V206-A268 PolarHBondContact N-O 2.96Å; V206-A268 PolarHBondContact O-N 2.92Å; V206-L271 HydrophobicContact CB-CD1 4.35Å; V206-L271 HydrophobicContact CG2-CD1 4Å; V206-V289 HydrophobicContact CB-CG1 4.12Å; V206-V289 HydrophobicContact CB-CG2 4.4Å; V206-V289 HydrophobicContact CG1-CG1 3.39Å; V206-V289 HydrophobicContact CG1-CG2 4.33Å; V206-V289 HydrophobicContact CG2-CG2 4.38Å; V206-V297 HydrophobicContact CG1-CB 3.83Å; V206-V297 HydrophobicContact CG1-CG2 3.93Å; V206-K298 CarbonylContact C-O 3.46Å; V206-K298 WeakPolarHBondContact CA-O 3.5Å; V206-V299 HydrophobicContact CG1-CG2 4.26Å; V206-V299 HydrophobicContact CG2-CG1 4.29Å; V206-V299 HydrophobicContact CG2-CG2 4.26Å
207T98.7Very high98.1Very high26 Ų2641.9 Ų41.916%0.1624%0.236CC..EExtended strand (participates in β ladder)trans-112.1127.7178.3-52.20000111.2Y265 R266 T267 K298T207-Y265 HydrophobicContact CG2-CD1 4.37Å; T207-R266 WeakPolarHBondContact CA-O 3.47Å; T207-T267 WeakPolarHBondContact CG2-OG1 3.21Å; T207-T267 VanDerWaalsContact OG1-CG2 3.31Å; T207-T267 WeakPolarHBondContact OG1-CG2 3.16Å; T207-T267 PolarHBondContact OG1-OG1 2.82Å; T207-K298 PolarHBondContact N-O 3.16Å; T207-K298 PolarHBondContact O-N 3.3Å
208A98.4Very high98.1Very high2 Ų242 Ų422%0.01724%0.236CC..EExtended strand (participates in β ladder)trans-151.8167.4175.800000112Y265 R266 P290 V297A208-Y265 WeakPolarHBondContact O-CA 3.37Å; A208-R266 PolarHBondContact N-O 2.78Å; A208-R266 PolarHBondContact O-N 2.91Å; A208-P290 HydrophobicContact CB-CB 4.36Å; A208-P290 HydrophobicContact CB-CG 4.1Å; A208-P290 VanDerWaalsContact CB-O 3.27Å; A208-P290 WeakPolarHBondContact CB-O 3.45Å; A208-V297 HydrophobicContact CB-CB 4.11Å; A208-V297 HydrophobicContact CB-CG1 3.67Å
209K98.3Very high98.1Very high97 Ų9744.1 Ų44.142%0.42225%0.247SC..EExtended strand (participates in β ladder)trans-73.1126.7169.7-75.3-171.1173.5-174.30109.7I264 Y265 G291K209-I264 WeakPolarHBondContact CA-O 3.32Å; K209-Y265 HydrophobicContact CD-CE1 4.47Å; K209-Y265 HydrophobicContact CD-CE2 4.47Å; K209-Y265 HydrophobicContact CG-CD1 3.82Å; K209-Y265 HydrophobicContact CG-CD2 4.28Å; K209-Y265 HydrophobicContact CG-CE1 3.56Å; K209-Y265 HydrophobicContact CG-CE2 4.06Å; K209-Y265 HydrophobicContact CG-CG 4.18Å; K209-G291 WeakPolarHBondContact O-CA 3.37Å
210T98.5Very high98.1Very high32 Ų3246.7 Ų46.720%0.19626%0.26CS..PPolyproline II helixtrans-70153.8174.960.20000111.3G212 G262 N263 I264 R266 P290T210-G212 PolarHBondContact O-N 2.95Å; T210-G262 WeakPolarHBondContact OG1-CA 3.49Å; T210-N263 VanDerWaalsContact O-CA 3.29Å; T210-N263 WeakPolarHBondContact O-CA 3.47Å; T210-N263 PolarHBondContact O-N 2.87Å; T210-N263 PolarHBondContact OG1-N 3.06Å; T210-I264 PolarHBondContact N-O 2.87Å; T210-I264 PolarHBondContact OG1-O 2.85Å; T210-R266 HydrophobicContact CG2-CB 3.73Å; T210-R266 HydrophobicContact CG2-CG 3.6Å; T210-P290 HydrophobicContact CG2-CB 4.15Å
211I98.5Very high98.2Very high101 Ų10148.9 Ų48.952%0.51826%0.264SS..PPolyproline II helixtrans-53.1123174.6-57.9176.7000110.1H292I211-H292 HydrophobicContact CD1-CB 4.45Å; I211-H292 HydrophobicContact CG1-CB 4.16Å
212G98.1Very high98.2Very high45 Ų4552.4 Ų52.446%0.46427%0.269SS..PPolyproline II helixtrans-73.2127.9176.100000110.8T210T210-G212 PolarHBondContact O-N 2.95Å
213K98.1Very high98.3Very high98 Ų9854.4 Ų54.443%0.42630%0.295SS..  trans-105.49.4175.3-60.9-175.4-177177.90112.2Q216 M261K213-Q216 HydrophobicContact CB-CG 3.89Å; K213-Q216 WeakPolarHBondContact O-CG 3.48Å; K213-Q216 PolarHBondContact O-NE2 3.37Å; K213-M261 HydrophobicContact CB-CB 4.46Å; K213-M261 HydrophobicContact CD-CE 4.47Å; K213-M261 HydrophobicContact CD-SD 3.91Å; K213-M261 PolarHBondContact N-O 3.16Å
214G98.1Very high98.3Very high44 Ų4454.2 Ų54.245%0.45430%0.296SS..  trans66.8-154.7-176.500000112.8K260 M261G214-K260 WeakPolarHBondContact O-CA 3.26Å; G214-M261 PolarHBondContact O-N 2.79Å
215F98.4Very high98.3Very high146 Ų14664.1 Ų64.164%0.6434%0.339SS*.EExtended strand (participates in β ladder)trans-73.6123.4173-169.1-82.2000109.7P258F215-P258 HydrophobicContact CE1-CB 3.81Å; F215-P258 HydrophobicContact CZ-CB 3.79Å
216Q98.6Very high98.2Very high42 Ų4265.3 Ų65.320%0.19635%0.351CS..EExtended strand (participates in β ladder)trans-124.9144.8-176.9-70.3-61.1-4000111.5K213 K220 R221 P258 G259 M261K213-Q216 HydrophobicContact CB-CG 3.89Å; K213-Q216 WeakPolarHBondContact O-CG 3.48Å; K213-Q216 PolarHBondContact O-NE2 3.37Å; Q216-K220 HydrophobicContact CG-CD 4.38Å; Q216-R221 HydrophobicContact CB-CB 4.33Å; Q216-P258 WeakPolarHBondContact O-CA 3.47Å; Q216-G259 PolarHBondContact N-O 2.92Å; Q216-G259 PolarHBondContact O-N 2.93Å; Q216-M261 HydrophobicContact CB-CB 4.02Å; Q216-M261 HydrophobicContact CB-SD 4.4Å; Q216-M261 HydrophobicContact CG-CB 3.96Å; Q216-M261 HydrophobicContact CG-SD 4.29Å
217G98.2Very high98.1Very high37 Ų3767.8 Ų67.838%0.38136%0.363SS..  trans-71.1168.1173.700000113.1M219 K220 R221G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.24Å; G217-K220 PolarHBondContact O-N 3.38Å; G217-R221 VanDerWaalsContact O-CB 3.31Å; G217-R221 WeakPolarHBondContact O-CB 3.29Å; G217-R221 PolarHBondContact O-N 3.24Å
218V98.3Very high98Very high1 Ų170.5 Ų70.51%0.00638%0.381CS..Hα-helixtrans-61.1-34-173.8-66.40000114.6W222 G223 F224 P240 P258V218-W222 WeakPolarHBondContact O-CA 3.24Å; V218-W222 WeakPolarHBondContact O-CB 3.31Å; V218-W222 PolarHBondContact O-N 3.41Å; V218-G223 PolarHBondContact O-N 2.93Å; V218-F224 HydrophobicContact CB-CB 4.34Å; V218-F224 HydrophobicContact CB-CD2 3.96Å; V218-F224 HydrophobicContact CB-CE2 4.47Å; V218-F224 HydrophobicContact CB-CG 4.11Å; V218-F224 HydrophobicContact CG2-CB 4.19Å; V218-F224 HydrophobicContact CG2-CD2 3.98Å; V218-F224 HydrophobicContact CG2-CG 4.3Å; V218-P240 HydrophobicContact CG1-CB 3.97Å; V218-P240 HydrophobicContact CG2-CB 4.22Å; V218-P258 HydrophobicContact CG1-CG 3.75Å
219M98.1Very high98Very high45 Ų4574.2 Ų74.222%0.22241%0.412CS..Hα-helixtrans-63.8-46.5179.6-61.4-172.77200111.6G217 G223 F224 K225 R238G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.24Å; M219-G223 WeakPolarHBondContact O-CA 3.36Å; M219-G223 PolarHBondContact O-N 3.33Å; M219-F224 WeakPolarHBondContact CG-O 3.32Å; M219-K225 VanDerWaalsContact CE-O 3.22Å; M219-K225 WeakPolarHBondContact CE-O 3.36Å; M219-R238 HydrophobicContact SD-CB 3.8Å; M219-R238 HydrophobicContact SD-CG 3.74Å; M219-R238 PolarHBondContact SD-NH1 2.81Å
220K98Very high97.8Very high116 Ų11673.9 Ų73.950%0.50442%0.418SS..Hα-helixtrans-78.7-36.8-179.2-161.1178.4-154.6169.10112.5Q216 G217 M261Q216-K220 HydrophobicContact CG-CD 4.38Å; G217-K220 PolarHBondContact O-N 3.38Å; K220-M261 WeakPolarHBondContact O-CE 3.32Å
221R97.9Very high97.7Very high76 Ų7681.2 Ų81.229%0.28745%0.449SS..Hα-helixtrans-75-39.7-176.2-171177-173.4-158.96.5112.7Q216 G217 M257 P258 G259 K260 M261Q216-R221 HydrophobicContact CB-CB 4.33Å; G217-R221 VanDerWaalsContact O-CB 3.31Å; G217-R221 WeakPolarHBondContact O-CB 3.29Å; G217-R221 PolarHBondContact O-N 3.24Å; R221-M257 PolarHBondContact NH1-O 2.81Å; R221-P258 VanDerWaalsContact NH1-C 3.33Å; R221-P258 PolarHBondContact NH1-O 3.4Å; R221-G259 VanDerWaalsContact NH1-CA 3.3Å; R221-K260 PolarHBondContact NE-O 2.98Å; R221-K260 PolarHBondContact NH2-O 3.21Å; R221-K260 VanDerWaalsContact NH2-O 3.16Å; R221-M261 HydrophobicContact CB-SD 4.4Å; R221-M261 HydrophobicContact CG-CB 4.26Å; R221-M261 HydrophobicContact CG-CG 4.32Å
222W98.2Very high97.5Very high101 Ų10179.9 Ų79.938%0.38346%0.46SS..Hα-helixtrans-124.7-3.1-170.2-57.5117.7000114.4V218 F224 K256 M257V218-W222 WeakPolarHBondContact O-CA 3.24Å; V218-W222 WeakPolarHBondContact O-CB 3.31Å; V218-W222 PolarHBondContact O-N 3.41Å; W222-F224 HydrophobicContact CB-CD1 3.75Å; W222-F224 HydrophobicContact CB-CE1 3.8Å; W222-K256 HydrophobicContact CB-CB 4.5Å; W222-K256 HydrophobicContact CB-CD 4.25Å; W222-K256 HydrophobicContact CD2-CB 3.86Å; W222-K256 HydrophobicContact CD2-CD 4.02Å; W222-K256 HydrophobicContact CD2-CG 3.78Å; W222-K256 HydrophobicContact CE3-CB 4.5Å; W222-K256 HydrophobicContact CE3-CD 3.95Å; W222-K256 HydrophobicContact CE3-CG 3.91Å; W222-K256 HydrophobicContact CG-CB 3.84Å; W222-K256 HydrophobicContact CG-CD 4.18Å; W222-K256 HydrophobicContact CG-CG 4.17Å; W222-K256 HydrophobicContact CH2-CG 4.48Å; W222-K256 HydrophobicContact CZ2-CB 4.49Å; W222-K256 HydrophobicContact CZ2-CG 4.37Å; W222-K256 HydrophobicContact CZ3-CG 4.26Å; W222-M257 PolarHBondContact NE1-O 3.32Å
223G98Very high97.5Very high62 Ų6281 Ų8164%0.63945%0.453SS*.  trans74.224.1-179.600000114.3V218 M219V218-G223 PolarHBondContact O-N 2.93Å; M219-G223 WeakPolarHBondContact O-CA 3.36Å; M219-G223 PolarHBondContact O-N 3.33Å
224F98.3Very high97.3Very high68 Ų6881.1 Ų81.130%0.29846%0.463SS..  trans-63.5139.7176.1-79.527.5000110.3V218 M219 W222 G226 P240 K256V218-F224 HydrophobicContact CB-CB 4.34Å; V218-F224 HydrophobicContact CB-CD2 3.96Å; V218-F224 HydrophobicContact CB-CE2 4.47Å; V218-F224 HydrophobicContact CB-CG 4.11Å; V218-F224 HydrophobicContact CG2-CB 4.19Å; V218-F224 HydrophobicContact CG2-CD2 3.98Å; V218-F224 HydrophobicContact CG2-CG 4.3Å; M219-F224 WeakPolarHBondContact CG-O 3.32Å; W222-F224 HydrophobicContact CB-CD1 3.75Å; W222-F224 HydrophobicContact CB-CE1 3.8Å; F224-G226 VanDerWaalsContact C-N 3.27Å; F224-G226 PolarHBondContact O-N 2.95Å; F224-P240 HydrophobicContact CE2-CB 4.37Å; F224-K256 HydrophobicContact CE1-CB 4.17Å; F224-K256 HydrophobicContact CE1-CD 4.03Å; F224-K256 HydrophobicContact CZ-CB 4.01Å
225K97.8Very high97.2Very high208 Ų20887.8 Ų87.890%0.90448%0.479SS*.  trans-65.6-26.9-179.2-67.4-173.3178.5-177.10113.6M219M219-K225 VanDerWaalsContact CE-O 3.22Å; M219-K225 WeakPolarHBondContact CE-O 3.36Å
226G96.1Very high97.1Very high25 Ų2582.2 Ų82.226%0.25846%0.457SS..  trans78.4-155.4-172.600000111.8F224F224-G226 VanDerWaalsContact C-N 3.27Å; F224-G226 PolarHBondContact O-N 2.95Å
227Q97.2Very high97.1Very high52 Ų5284 Ų8424%0.24347%0.466CS..  trans-120.5155.9-178.3-72.173.120.700109.3Q233 T236 H237 R239Q227-Q233 HydrophobicContact CB-CG 4.14Å; Q227-T236 VanDerWaalsContact CD-O 3.29Å; Q227-T236 PolarHBondContact OE1-O 3.47Å; Q227-H237 PolarHBondContact N-O 2.59Å; Q227-H237 PolarHBondContact OE1-O 2.98Å; Q227-R239 PolarHBondContact NE2-O 2.89Å; Q227-R239 VanDerWaalsContact NE2-O 3.15Å; Q227-R239 PolarHBondContact OE1-O 2.75Å; Q227-R239 VanDerWaalsContact OE1-O 3.12Å
228P97.9Very high97.1Very high82 Ų8290.1 Ų90.153%0.53248%0.477SS..  trans-57.3154.2178.624.1-34.5000112H237P228-H237 PolarHBondContact O-ND1 3.42Å; P228-H237 VanDerWaalsContact O-ND1 3.1Å
229A97Very high97Very high81 Ų8197.5 Ų97.567%0.66951%0.505SS*.SBendtrans-78.4-39.7179.600000112.3H237A229-H237 PolarHBondContact O-CE1 3.41Å
230T95.4Very high97Very high90 Ų9097.4 Ų97.455%0.55251%0.507SS*.SBendtrans-108.8-166.3-174.957.40000111.8
231H95.3Very high96.9Very high185 Ų18594 Ų9486%0.85651%0.506SS*.THydrogen-bonded Turntrans59.949.5179-59.4-77.3000114.2Q233H231-Q233 VanDerWaalsContact C-N 3.31Å; H231-Q233 PolarHBondContact O-N 3.39Å
232G95.3Very high96.8Very high73 Ų7395.2 Ų95.275%0.75353%0.532SS*.THydrogen-bonded Turntrans812.417000000115.6T234G232-T234 PolarHBondContact O-N 3.11Å; G232-T234 PolarHBondContact O-OG1 3.04Å
233Q96.4Very high96.8Very high68 Ų6894.2 Ų94.232%0.31853%0.533SS..  trans-67.2117.7-179.9-168.561.8-83.800111.7Q227 H231 T236 H237Q227-Q233 HydrophobicContact CB-CG 4.14Å; H231-Q233 VanDerWaalsContact C-N 3.31Å; H231-Q233 PolarHBondContact O-N 3.39Å; Q233-T236 WeakPolarHBondContact CG-OG1 3.38Å; Q233-T236 PolarHBondContact OE1-OG1 3.16Å; Q233-H237 PolarHBondContact O-CE1 3.04Å
234T95.4Very high96.7Very high101 Ų10193.3 Ų93.362%0.6252%0.517SS*.  trans-111.3115.2-173.8-600000111.2G232 T236G232-T234 PolarHBondContact O-N 3.11Å; G232-T234 PolarHBondContact O-OG1 3.04Å; T234-T236 VanDerWaalsContact O-CG2 3.31Å; T234-T236 WeakPolarHBondContact O-CG2 3.39Å; T234-T236 PolarHBondContact O-N 3.22Å; T234-T236 VanDerWaalsContact O-N 3.11Å
235K95.9Very high96.6Very high185 Ų18594.1 Ų94.180%0.80453%0.528SS*.SBendtrans57.921.7172.3-62.1177178.7175.80116
236T96.8Very high96.5Very high28 Ų2887.9 Ų87.917%0.17252%0.522CS..  trans-122.92.1-172.754.40000114.6Q227 Q233 T234 R238 R239Q227-T236 VanDerWaalsContact CD-O 3.29Å; Q227-T236 PolarHBondContact OE1-O 3.47Å; Q233-T236 WeakPolarHBondContact CG-OG1 3.38Å; Q233-T236 PolarHBondContact OE1-OG1 3.16Å; T234-T236 VanDerWaalsContact O-CG2 3.31Å; T234-T236 WeakPolarHBondContact O-CG2 3.39Å; T234-T236 PolarHBondContact O-N 3.22Å; T234-T236 VanDerWaalsContact O-N 3.11Å; T236-R238 PolarHBondContact O-N 2.78Å; T236-R239 PolarHBondContact O-N 2.79Å; T236-R239 VanDerWaalsContact O-N 3.1Å
237H97.1Very high96.5Very high81 Ų8194.3 Ų94.338%0.37555%0.551SS.*THydrogen-bonded Turntrans-48.8-28.7-171.9-48.2-65000116.8Q227 P228 A229 Q233Q227-H237 PolarHBondContact N-O 2.59Å; Q227-H237 PolarHBondContact OE1-O 2.98Å; P228-H237 PolarHBondContact O-ND1 3.42Å; P228-H237 VanDerWaalsContact O-ND1 3.1Å; A229-H237 PolarHBondContact O-CE1 3.41Å; Q233-H237 PolarHBondContact O-CE1 3.04Å
238R97.8Very high96.4Very high165 Ų16594.6 Ų94.662%0.62355%0.553SS**THydrogen-bonded Turntrans-123.416.3-174-52.1-172.766.677.3-1114.1M219 T236M219-R238 HydrophobicContact SD-CB 3.8Å; M219-R238 HydrophobicContact SD-CG 3.74Å; M219-R238 PolarHBondContact SD-NH1 2.81Å; T236-R238 PolarHBondContact O-N 2.78Å
239R97.1Very high96.3Very high155 Ų15594.2 Ų94.259%0.58556%0.564SS**  trans-83.1155.8-176.1-68.4-178.674.9174.90.4111Q227 T236 G241Q227-R239 PolarHBondContact NE2-O 2.89Å; Q227-R239 VanDerWaalsContact NE2-O 3.15Å; Q227-R239 PolarHBondContact OE1-O 2.75Å; Q227-R239 VanDerWaalsContact OE1-O 3.12Å; T236-R239 PolarHBondContact O-N 2.79Å; T236-R239 VanDerWaalsContact O-N 3.1Å; R239-G241 PolarHBondContact O-N 3.45Å
240P97.4Very high96.2Very high43 Ų4396 Ų9628%0.27955%0.554SS.*  trans-65.7-19.2177.725.2-33.9000114.7V218 F224 I243V218-P240 HydrophobicContact CG1-CB 3.97Å; V218-P240 HydrophobicContact CG2-CB 4.22Å; F224-P240 HydrophobicContact CE2-CB 4.37Å; P240-I243 HydrophobicContact CB-CG2 4.39Å; P240-I243 HydrophobicContact CG-CG2 4.36Å
241G96.6Very high96.3Very high46 Ų4694.5 Ų94.547%0.47455%0.545SS..  trans75.7-149.8-168.200000111.2R239R239-G241 PolarHBondContact O-N 3.45Å
242A96.4Very high96.4Very high100 Ų10092.1 Ų92.183%0.82653%0.528SS*.  trans-65.9140.717500000111.2
243I96.9Very high96.5Very high81 Ų8194.2 Ų94.242%0.41553%0.528SS..  trans-112.3-15-173.257.8170.5000114.1P240 V251 M257P240-I243 HydrophobicContact CB-CG2 4.39Å; P240-I243 HydrophobicContact CG-CG2 4.36Å; I243-V251 HydrophobicContact CD1-CG2 3.79Å; I243-V251 HydrophobicContact CG1-CG2 4.37Å; I243-M257 HydrophobicContact CB-CE 4.22Å; I243-M257 HydrophobicContact CD1-CE 3.88Å; I243-M257 HydrophobicContact CG2-CE 4.3Å
244S96.6Very high96.6Very high42 Ų4294.8 Ų94.829%0.29455%0.553SS.*SBendtrans-164.1179.7178.5-1580000109.3R250S244-R250 PolarHBondContact OG-O 3.05Å
245T96.6Very high96.7Very high86 Ų8692.3 Ų92.353%0.52854%0.537SS..  trans-90153169.5560000110.8I248T245-I248 WeakPolarHBondContact OG1-CD1 3.28Å; T245-I248 WeakPolarHBondContact OG1-CG1 3.46Å
246G95.9Very high96.8Very high77 Ų7788.8 Ų88.879%0.79452%0.522SS*.SBendtrans-69-39-176.700000114I248 G249G246-I248 VanDerWaalsContact C-N 3.28Å; G246-I248 PolarHBondContact O-N 2.64Å; G246-G249 PolarHBondContact O-N 3.37Å
247D96.3Very high96.9Very high159 Ų15990.7 Ų90.785%0.8553%0.53SS*.THydrogen-bonded Turntrans-57.3-37.4-177.1-17736.5000113.4G249D247-G249 VanDerWaalsContact C-N 3.28Å; D247-G249 PolarHBondContact O-N 3.13Å
248I94.9Very high96.9Very high58 Ų5889.5 Ų89.530%0.29753%0.529SS..THydrogen-bonded Turntrans-73.6-21.1-174.5-60.9175.5000112T245 G246 R250 W252T245-I248 WeakPolarHBondContact OG1-CD1 3.28Å; T245-I248 WeakPolarHBondContact OG1-CG1 3.46Å; G246-I248 VanDerWaalsContact C-N 3.28Å; G246-I248 PolarHBondContact O-N 2.64Å; I248-R250 HydrophobicContact CG2-CG 3.53Å; I248-R250 PolarHBondContact O-N 2.96Å; I248-W252 HydrophobicContact CD1-CZ2 3.67Å; I248-W252 VanDerWaalsContact CD1-NE1 3.32Å
249G94.9Very high97Very high74 Ų7482 Ų8276%0.76350%0.503SS*.  trans61.97.2179.800000115.4G246 D247G246-G249 PolarHBondContact O-N 3.37Å; D247-G249 VanDerWaalsContact C-N 3.28Å; D247-G249 PolarHBondContact O-N 3.13Å
250R95.6Very high97Very high118 Ų11883 Ų8345%0.44551%0.512SS..SBendtrans-147.3167.5178.864.9171.2-178.486.25112.4S244 I248 W252S244-R250 PolarHBondContact OG-O 3.05Å; I248-R250 HydrophobicContact CG2-CG 3.53Å; I248-R250 PolarHBondContact O-N 2.96Å; R250-W252 VanDerWaalsContact NH2-CH2 3.33Å
251V97.3Very high97.1Very high60 Ų6083.2 Ų83.236%0.36451%0.51SS..PPolyproline II helixtrans-94.2136.4171.4-179.60000109.3I243 T255 M257I243-V251 HydrophobicContact CD1-CG2 3.79Å; I243-V251 HydrophobicContact CG1-CG2 4.37Å; V251-T255 HydrophobicContact CG1-CG2 3.99Å; V251-T255 WeakPolarHBondContact CG1-OG1 3.43Å; V251-M257 HydrophobicContact CG1-CE 3.7Å; V251-M257 HydrophobicContact CG2-CE 4.26Å
252W97.6Very high97.2Very high135 Ų13582 Ų8251%0.51150%0.497SS..PPolyproline II helixtrans-66.1136.5176.4-70.199000111.5I248 R250 G254 T255I248-W252 HydrophobicContact CD1-CZ2 3.67Å; I248-W252 VanDerWaalsContact CD1-NE1 3.32Å; R250-W252 VanDerWaalsContact NH2-CH2 3.33Å; W252-G254 PolarHBondContact O-N 3.34Å; W252-T255 WeakPolarHBondContact O-CB 3.49Å; W252-T255 PolarHBondContact O-N 2.89Å; W252-T255 VanDerWaalsContact O-N 3.14Å; W252-T255 PolarHBondContact O-OG1 2.65Å
253P98.1Very high97.2Very high116 Ų11682.1 Ų82.175%0.75348%0.484SS*.THydrogen-bonded Turntrans-54.6136.2170.2-25.834.9000111.2T255P253-T255 VanDerWaalsContact C-N 3.35Å
254G96.9Very high97.3Very high81 Ų8182.4 Ų82.484%0.83549%0.486SS*.THydrogen-bonded Turntrans83.33.3-176.900000115.4W252 K256W252-G254 PolarHBondContact O-N 3.34Å; G254-K256 PolarHBondContact O-N 3.47Å
255T98Very high97.4Very high48 Ų4886.2 Ų86.229%0.29450%0.495SS..  trans-56.6134.3173.7-620000111.5V251 W252 P253 M257V251-T255 HydrophobicContact CG1-CG2 3.99Å; V251-T255 WeakPolarHBondContact CG1-OG1 3.43Å; W252-T255 WeakPolarHBondContact O-CB 3.49Å; W252-T255 PolarHBondContact O-N 2.89Å; W252-T255 VanDerWaalsContact O-N 3.14Å; W252-T255 PolarHBondContact O-OG1 2.65Å; P253-T255 VanDerWaalsContact C-N 3.35Å; T255-M257 HydrophobicContact CG2-CE 4.37Å; T255-M257 PolarHBondContact O-N 2.87Å; T255-M257 VanDerWaalsContact O-N 3.11Å
256K98.3Very high97.5Very high111 Ų11189.5 Ų89.548%0.48350%0.497SS..  trans-70.6104.1-175.5-68.3178.2-177.8174.10111.5W222 F224 G254W222-K256 HydrophobicContact CB-CB 4.5Å; W222-K256 HydrophobicContact CB-CD 4.25Å; W222-K256 HydrophobicContact CD2-CB 3.86Å; W222-K256 HydrophobicContact CD2-CD 4.02Å; W222-K256 HydrophobicContact CD2-CG 3.78Å; W222-K256 HydrophobicContact CE3-CB 4.5Å; W222-K256 HydrophobicContact CE3-CD 3.95Å; W222-K256 HydrophobicContact CE3-CG 3.91Å; W222-K256 HydrophobicContact CG-CB 3.84Å; W222-K256 HydrophobicContact CG-CD 4.18Å; W222-K256 HydrophobicContact CG-CG 4.17Å; W222-K256 HydrophobicContact CH2-CG 4.48Å; W222-K256 HydrophobicContact CZ2-CB 4.49Å; W222-K256 HydrophobicContact CZ2-CG 4.37Å; W222-K256 HydrophobicContact CZ3-CG 4.26Å; F224-K256 HydrophobicContact CE1-CB 4.17Å; F224-K256 HydrophobicContact CE1-CD 4.03Å; F224-K256 HydrophobicContact CZ-CB 4.01Å; G254-K256 PolarHBondContact O-N 3.47Å
257M98.3Very high97.6Very high69 Ų6988 Ų8834%0.3447%0.473SS..  trans-123165.3179.9-71.5-174.1170.800112.8R221 W222 I243 V251 T255R221-M257 PolarHBondContact NH1-O 2.81Å; W222-M257 PolarHBondContact NE1-O 3.32Å; I243-M257 HydrophobicContact CB-CE 4.22Å; I243-M257 HydrophobicContact CD1-CE 3.88Å; I243-M257 HydrophobicContact CG2-CE 4.3Å; V251-M257 HydrophobicContact CG1-CE 3.7Å; V251-M257 HydrophobicContact CG2-CE 4.26Å; T255-M257 HydrophobicContact CG2-CE 4.37Å; T255-M257 PolarHBondContact O-N 2.87Å; T255-M257 VanDerWaalsContact O-N 3.11Å
258P98.5Very high97.7Very high55 Ų5581.6 Ų81.636%0.35744%0.442SS..SBendtrans-54.1152.9170.8-2434.6000112.3F215 Q216 V218 R221F215-P258 HydrophobicContact CE1-CB 3.81Å; F215-P258 HydrophobicContact CZ-CB 3.79Å; Q216-P258 WeakPolarHBondContact O-CA 3.47Å; V218-P258 HydrophobicContact CG1-CG 3.75Å; R221-P258 VanDerWaalsContact NH1-C 3.33Å; R221-P258 PolarHBondContact NH1-O 3.4Å
259G98.4Very high97.9Very high8 Ų883 Ų838%0.08245%0.446CS..EExtended strand (participates in β ladder)trans163-173.6178.400000114.1Q216 R221 M261Q216-G259 PolarHBondContact N-O 2.92Å; Q216-G259 PolarHBondContact O-N 2.93Å; R221-G259 VanDerWaalsContact NH1-CA 3.3Å; G259-M261 PolarHBondContact O-N 2.97Å
260K98.6Very high98Very high175 Ų17580.5 Ų80.576%0.76142%0.42SS*.EExtended strand (participates in β ladder)trans-60.6128.6179.3-68.7-179.4179.8176.10110.8G214 R221G214-K260 WeakPolarHBondContact O-CA 3.26Å; R221-K260 PolarHBondContact NE-O 2.98Å; R221-K260 PolarHBondContact NH2-O 3.21Å; R221-K260 VanDerWaalsContact NH2-O 3.16Å
261M98.4Very high98.1Very high48 Ų4875.8 Ų75.824%0.23640%0.403CS..  trans-120.5134.4178.3-174.2-170.5-174.200110.6K213 G214 Q216 K220 R221 G259K213-M261 HydrophobicContact CB-CB 4.46Å; K213-M261 HydrophobicContact CD-CE 4.47Å; K213-M261 HydrophobicContact CD-SD 3.91Å; K213-M261 PolarHBondContact N-O 3.16Å; G214-M261 PolarHBondContact O-N 2.79Å; Q216-M261 HydrophobicContact CB-CB 4.02Å; Q216-M261 HydrophobicContact CB-SD 4.4Å; Q216-M261 HydrophobicContact CG-CB 3.96Å; Q216-M261 HydrophobicContact CG-SD 4.29Å; K220-M261 WeakPolarHBondContact O-CE 3.32Å; R221-M261 HydrophobicContact CB-SD 4.4Å; R221-M261 HydrophobicContact CG-CB 4.26Å; R221-M261 HydrophobicContact CG-CG 4.32Å; G259-M261 PolarHBondContact O-N 2.97Å
262G97.9Very high98.2Very high21 Ų2174.4 Ų74.422%0.21639%0.392CS..SBendtrans77.7-163-177.600000112.9T210 I264T210-G262 WeakPolarHBondContact OG1-CA 3.49Å; G262-I264 PolarHBondContact O-N 2.81Å; G262-I264 VanDerWaalsContact O-N 3.16Å
263N98.1Very high98.2Very high103 Ų10368 Ų6855%0.55137%0.368SS*.  trans53.527.2-172.4-163.722.8000114.5T210T210-N263 VanDerWaalsContact O-CA 3.29Å; T210-N263 WeakPolarHBondContact O-CA 3.47Å; T210-N263 PolarHBondContact O-N 2.87Å; T210-N263 PolarHBondContact OG1-N 3.06Å
264I98.3Very high98.2Very high87 Ų8763.2 Ų63.245%0.44634%0.335SS..SBendtrans-117.2155.5175.957170.5000109.2K209 T210 G262K209-I264 WeakPolarHBondContact CA-O 3.32Å; T210-I264 PolarHBondContact N-O 2.87Å; T210-I264 PolarHBondContact OG1-O 2.85Å; G262-I264 PolarHBondContact O-N 2.81Å; G262-I264 VanDerWaalsContact O-N 3.16Å
265Y98.4Very high98.3Very high122 Ų12261.2 Ų61.248%0.47830%0.302SS..EExtended strand (participates in β ladder)trans-72.4130.9175.3-69.8-80.8000110.6K177 T207 A208 K209K177-Y265 PolarHBondContact NZ-OH 3.21Å; T207-Y265 HydrophobicContact CG2-CD1 4.37Å; A208-Y265 WeakPolarHBondContact O-CA 3.37Å; K209-Y265 HydrophobicContact CD-CE1 4.47Å; K209-Y265 HydrophobicContact CD-CE2 4.47Å; K209-Y265 HydrophobicContact CG-CD1 3.82Å; K209-Y265 HydrophobicContact CG-CD2 4.28Å; K209-Y265 HydrophobicContact CG-CE1 3.56Å; K209-Y265 HydrophobicContact CG-CE2 4.06Å; K209-Y265 HydrophobicContact CG-CG 4.18Å
266R98.5Very high98.3Very high155 Ų15558.9 Ų58.959%0.58529%0.288SS*.EExtended strand (participates in β ladder)trans-131.4151169.8-72.8-66.4-176.1172.4-2.3109.4T207 A208 T210T207-R266 WeakPolarHBondContact CA-O 3.47Å; A208-R266 PolarHBondContact N-O 2.78Å; A208-R266 PolarHBondContact O-N 2.91Å; T210-R266 HydrophobicContact CG2-CB 3.73Å; T210-R266 HydrophobicContact CG2-CG 3.6Å
267T98.6Very high98.3Very high45 Ų4554 Ų5428%0.27627%0.267SS..EExtended strand (participates in β ladder)trans-117.5127.4178.9-51.90000108.5D205 V206 T207 F269D205-T267 HydrophobicContact CB-CG2 4.1Å; V206-T267 CarbonylContact O-C 3.51Å; V206-T267 VanDerWaalsContact O-CA 3.29Å; V206-T267 WeakPolarHBondContact O-CA 3.12Å; T207-T267 WeakPolarHBondContact CG2-OG1 3.21Å; T207-T267 VanDerWaalsContact OG1-CG2 3.31Å; T207-T267 WeakPolarHBondContact OG1-CG2 3.16Å; T207-T267 PolarHBondContact OG1-OG1 2.82Å; T267-F269 HydrophobicContact CG2-CD1 4Å; T267-F269 HydrophobicContact CG2-CD2 4.4Å; T267-F269 HydrophobicContact CG2-CE1 3.48Å; T267-F269 VanDerWaalsContact CG2-CE1 3.48Å; T267-F269 HydrophobicContact CG2-CE2 3.99Å; T267-F269 HydrophobicContact CG2-CG 4.41Å; T267-F269 HydrophobicContact CG2-CZ 3.5Å; T267-F269 VanDerWaalsContact CG2-CZ 3.5Å
268A98.4Very high98.2Very high24 Ų2452 Ų5220%0.19826%0.259CS..EExtended strand (participates in β ladder)trans-92.4130.516500000107.7D205 V206 L271D205-A268 WeakPolarHBondContact CA-O 3.46Å; V206-A268 PolarHBondContact N-O 2.96Å; V206-A268 PolarHBondContact O-N 2.92Å; A268-L271 HydrophobicContact CB-CD1 3.85Å; A268-L271 HydrophobicContact CB-CD2 4.38Å; A268-L271 HydrophobicContact CB-CG 4.27Å
269F98.3Very high98.1Very high89 Ų8956 Ų5639%0.3927%0.271SS..EExtended strand (participates in β ladder)trans-107.3149.7-175.5-62-82.2000110.3D205 T267 K303 L304D205-F269 HydrophobicContact CB-CD1 4.21Å; D205-F269 WeakPolarHBondContact OD1-CA 3.46Å; D205-F269 WeakPolarHBondContact OD1-CD1 3.38Å; D205-F269 VanDerWaalsContact OD2-CD1 3.24Å; D205-F269 WeakPolarHBondContact OD2-CD1 3.41Å; T267-F269 HydrophobicContact CG2-CD1 4Å; T267-F269 HydrophobicContact CG2-CD2 4.4Å; T267-F269 HydrophobicContact CG2-CE1 3.48Å; T267-F269 VanDerWaalsContact CG2-CE1 3.48Å; T267-F269 HydrophobicContact CG2-CE2 3.99Å; T267-F269 HydrophobicContact CG2-CG 4.41Å; T267-F269 HydrophobicContact CG2-CZ 3.5Å; T267-F269 VanDerWaalsContact CG2-CZ 3.5Å; F269-K303 HydrophobicContact CD1-CD 4.46Å; F269-K303 HydrophobicContact CD1-CG 4.2Å; F269-K303 HydrophobicContact CE1-CD 3.89Å; F269-K303 HydrophobicContact CE1-CG 4.13Å; F269-L304 HydrophobicContact CB-CD1 4.15Å; F269-L304 HydrophobicContact CB-CD2 4.39Å; F269-L304 HydrophobicContact CB-CG 4.32Å
270G97.3Very high98Very high20 Ų2060.3 Ų60.321%0.20629%0.288CS..EExtended strand (participates in β ladder)trans66.940.517100000113.9Y203 D205Y203-G270 WeakPolarHBondContact CD1-O 3.36Å; D205-G270 PolarHBondContact OD1-N 3.03Å
271L98.3Very high98Very high20 Ų2053.7 Ų53.711%0.10526%0.262CS..EExtended strand (participates in β ladder)trans-89.9117.4174.5-53.7-179.6000109.7Y203 V204 V206 A268 V285 V289Y203-L271 WeakPolarHBondContact CA-O 3.45Å; V204-L271 HydrophobicContact CG2-CB 4.44Å; V204-L271 WeakPolarHBondContact CG2-O 3.24Å; V204-L271 PolarHBondContact N-O 2.94Å; V204-L271 PolarHBondContact O-N 2.76Å; V206-L271 HydrophobicContact CB-CD1 4.35Å; V206-L271 HydrophobicContact CG2-CD1 4Å; A268-L271 HydrophobicContact CB-CD1 3.85Å; A268-L271 HydrophobicContact CB-CD2 4.38Å; A268-L271 HydrophobicContact CB-CG 4.27Å; L271-V285 HydrophobicContact CB-CG1 3.38Å; L271-V285 HydrophobicContact CD1-CG1 3.76Å; L271-V285 HydrophobicContact CG-CG1 4.21Å; L271-V289 HydrophobicContact CD1-CG2 4.12Å
272K98.2Very high98Very high31 Ų3152.3 Ų52.314%0.13526%0.255CS..EExtended strand (participates in β ladder)trans-68.5143.4177.5-169.6178.3178.1-171.10111.3Q202 Y203 W274 N286 D334Q202-K272 CarbonylContact O-C 3.49Å; Q202-K272 WeakPolarHBondContact O-CA 3.43Å; Y203-K272 HydrophobicContact CD1-CB 4.15Å; Y203-K272 HydrophobicContact CE1-CB 3.85Å; Y203-K272 HydrophobicContact CE1-CG 4.45Å; K272-W274 HydrophobicContact CD-CD2 4.5Å; K272-W274 HydrophobicContact CD-CE3 4.41Å; K272-W274 HydrophobicContact CD-CH2 4.17Å; K272-W274 HydrophobicContact CD-CZ2 4.23Å; K272-W274 HydrophobicContact CD-CZ3 4.26Å; K272-N286 HydrophobicContact CB-CB 4.23Å; K272-N286 VanDerWaalsContact O-CB 3.3Å; K272-N286 WeakPolarHBondContact O-CB 3.45Å; K272-N286 PolarHBondContact O-N 2.89Å; K272-D334 WeakPolarHBondContact CE-OD2 3.34Å; K272-D334 IonicContact NZ-OD1 3.69Å; K272-D334 IonicContact NZ-OD2 2.89Å; K272-D334 PolarHBondContact NZ-OD2 3.1Å
273V98.4Very high98Very high0 Ų051.3 Ų51.30%025%0.245CC..EExtended strand (participates in β ladder)trans-93.5121.8170.2-178.10000109.3G201 Q202 V204 I276 I283 V285G201-V273 PolarHBondContact N-O 3.22Å; Q202-V273 HydrophobicContact CG-CB 4.26Å; Q202-V273 HydrophobicContact CG-CG2 3.97Å; Q202-V273 PolarHBondContact O-N 3.3Å; V204-V273 HydrophobicContact CG1-CG2 3.89Å; V204-V273 HydrophobicContact CG2-CG2 3.92Å; V273-I276 HydrophobicContact CG1-CD1 4.02Å; V273-I276 HydrophobicContact CG1-CG1 3.78Å; V273-I283 HydrophobicContact CG1-CG2 3.77Å; V273-I283 HydrophobicContact CG2-CG2 4.24Å; V273-V285 HydrophobicContact CG2-CG2 4.5Å
274W98.3Very high98.1Very high15 Ų1547.4 Ų47.46%0.05722%0.222CC..EExtended strand (participates in β ladder)trans-96-36.4-175.6-73.8114.2000113.8L109 T111 H117 V119 K272 Y284 N286 D334 N336 V337L109-W274 HydrophobicContact CD1-CB 3.94Å; L109-W274 HydrophobicContact CD1-CG 4.47Å; L109-W274 HydrophobicContact CD2-CD2 4.49Å; L109-W274 HydrophobicContact CD2-CG 4.49Å; T111-W274 HydrophobicContact CG2-CH2 3.95Å; T111-W274 HydrophobicContact CG2-CZ3 4.19Å; H117-W274 AromaticContact CD2-CZ2 3.95Å; V119-W274 VanDerWaalsContact CG1-CD1 3.44Å; V119-W274 HydrophobicContact CG1-CG 4.25Å; K272-W274 HydrophobicContact CD-CD2 4.5Å; K272-W274 HydrophobicContact CD-CE3 4.41Å; K272-W274 HydrophobicContact CD-CH2 4.17Å; K272-W274 HydrophobicContact CD-CZ2 4.23Å; K272-W274 HydrophobicContact CD-CZ3 4.26Å; W274-Y284 PolarHBondContact N-O 2.77Å; W274-N286 PolarHBondContact NE1-OD1 3.19Å; W274-D334 HydrophobicContact CE3-CB 4.14Å; W274-D334 VanDerWaalsContact CZ3-OD2 3.24Å; W274-D334 WeakPolarHBondContact CZ3-OD2 3.34Å; W274-D334 VanDerWaalsContact O-CB 3.31Å; W274-D334 WeakPolarHBondContact O-CB 3.44Å; W274-D334 PolarHBondContact O-N 3.15Å; W274-N336 HydrophobicContact CZ3-CB 4.38Å; W274-V337 HydrophobicContact CB-CG2 4.33Å; W274-V337 HydrophobicContact CD2-CG2 4.32Å; W274-V337 HydrophobicContact CE3-CG2 3.51Å; W274-V337 HydrophobicContact CZ3-CG2 4.14Å
275R98.1Very high98.1Very high39 Ų3943.2 Ų43.215%0.14720%0.201CC..EExtended strand (participates in β ladder)trans-149.8151.6-176.8174.3-174.4171.8176.7-5.7109.6Y284 D331 L332 Y333R275-Y284 HydrophobicContact CB-CD2 3.8Å; R275-Y284 HydrophobicContact CB-CG 3.96Å; R275-Y284 HydrophobicContact CG-CD2 3.77Å; R275-Y284 HydrophobicContact CG-CE2 4.02Å; R275-Y284 HydrophobicContact CG-CG 4.34Å; R275-Y284 WeakPolarHBondContact O-CB 3.4Å; R275-Y284 VanDerWaalsContact O-CD2 3.32Å; R275-Y284 WeakPolarHBondContact O-CD2 3.43Å; R275-Y284 PolarHBondContact O-N 3.42Å; R275-D331 IonicContact CZ-OD1 2.94Å; R275-D331 VanDerWaalsContact CZ-OD1 3.27Å; R275-D331 IonicContact CZ-OD2 3.69Å; R275-D331 VanDerWaalsContact NE-CG 3.32Å; R275-D331 IonicContact NE-OD1 2.76Å; R275-D331 PolarHBondContact NE-OD1 3.09Å; R275-D331 IonicContact NE-OD2 3.18Å; R275-D331 IonicContact NH2-OD1 2.87Å; R275-D331 PolarHBondContact NH2-OD1 3.31Å; R275-D331 IonicContact NH2-OD2 2.65Å; R275-D331 PolarHBondContact NH2-OD2 3.28Å; R275-L332 CarbonylContact C-O 3.57Å; R275-L332 WeakPolarHBondContact CA-O 3.37Å; R275-Y333 HydrophobicContact CB-CD1 4.4Å; R275-Y333 VanDerWaalsContact CD-CE1 3.49Å; R275-Y333 HydrophobicContact CG-CD1 4.11Å; R275-Y333 HydrophobicContact CG-CE1 4.06Å; R275-Y333 PolarHBondContact NH1-OH 3.34Å; R275-Y333 PolarHBondContact NH2-OH 3.27Å
276I98.4Very high98.1Very high0 Ų039.6 Ų39.60%019%0.19CC..EExtended strand (participates in β ladder)trans-133.4132.7171-58.3-178.8000108.5A195 F198 P200 V273 I282 D331 L332A195-I276 HydrophobicContact CB-CG2 4.15Å; F198-I276 HydrophobicContact CB-CD1 3.88Å; F198-I276 WeakPolarHBondContact O-CD1 3.38Å; P200-I276 HydrophobicContact CG-CG1 4.45Å; V273-I276 HydrophobicContact CG1-CD1 4.02Å; V273-I276 HydrophobicContact CG1-CG1 3.78Å; I276-I282 WeakPolarHBondContact CA-O 3.32Å; I276-D331 CarbonylContact O-C 3.55Å; I276-D331 WeakPolarHBondContact O-CA 3.46Å; I276-L332 HydrophobicContact CB-CB 4.48Å; I276-L332 PolarHBondContact N-O 3.35Å; I276-L332 PolarHBondContact O-N 2.74Å
277N98.1Very high98Very high7 Ų733 Ų334%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-105.1121.3173-176.4-79.4000109.1K279 H280 N281 I282 Y284 E330 D331N277-K279 PolarHBondContact OD1-N 3.27Å; N277-H280 WeakPolarHBondContact OD1-CB 3.31Å; N277-H280 PolarHBondContact OD1-N 3.11Å; N277-N281 CarbonylContact O-C 3.6Å; N277-N281 VanDerWaalsContact O-CA 3.29Å; N277-N281 WeakPolarHBondContact O-CA 3.19Å; N277-N281 PolarHBondContact O-N 3.3Å; N277-I282 HydrophobicContact CB-CB 4.23Å; N277-I282 PolarHBondContact N-O 3.26Å; N277-I282 PolarHBondContact O-N 2.83Å; N277-Y284 HydrophobicContact CB-CE2 4.17Å; N277-E330 WeakPolarHBondContact CA-O 3.38Å; N277-D331 VanDerWaalsContact CB-OD1 3.31Å; N277-D331 WeakPolarHBondContact CB-OD1 3.41Å; N277-D331 PolarHBondContact ND2-OD1 3Å
278T96.6Very high98Very high28 Ų2834.8 Ų34.817%0.17218%0.184CC..THydrogen-bonded Turntrans-78.2-44.8-174.652.10000111.4H280 N281 L328 P329 E330T278-H280 PolarHBondContact O-N 3.43Å; T278-N281 PolarHBondContact O-N 3.35Å; T278-L328 HydrophobicContact CG2-CB 4.02Å; T278-L328 HydrophobicContact CG2-CD1 4.35Å; T278-P329 WeakPolarHBondContact CG2-O 3.31Å; T278-P329 PolarHBondContact OG1-O 3.32Å; T278-E330 PolarHBondContact N-O 3.2Å; T278-E330 WeakPolarHBondContact OG1-CA 3.11Å; T278-E330 PolarHBondContact OG1-O 3.42Å
279K96.1Very high98Very high139 Ų13933.9 Ų33.960%0.60418%0.177SC*.THydrogen-bonded Turntrans-58.9-47.3-178.3-175.3-179.4-173.7174.30114.2N277 E330N277-K279 PolarHBondContact OD1-N 3.27Å; K279-E330 HydrophobicContact CB-CG 4.25Å; K279-E330 HydrophobicContact CD-CG 4.48Å; K279-E330 WeakPolarHBondContact CD-OE1 3.39Å; K279-E330 IonicContact NZ-OE1 3.4Å; K279-E330 PolarHBondContact NZ-OE1 2.99Å
280H97.3Very high98Very high98 Ų9830.8 Ų30.845%0.45417%0.166SC..THydrogen-bonded Turntrans-97.70.4-178.8-62.9-58.7000113.3N277 T278 I282N277-H280 WeakPolarHBondContact OD1-CB 3.31Å; N277-H280 PolarHBondContact OD1-N 3.11Å; T278-H280 PolarHBondContact O-N 3.43Å; H280-I282 HydrophobicContact CB-CD1 3.76Å; H280-I282 HydrophobicContact CB-CG1 3.87Å
281N97.9Very high98Very high37 Ų3730.2 Ų30.220%0.19816%0.16CC..THydrogen-bonded Turntrans53.251.4-176.5-71.3-69000112.8Q123 V124 A195 N277 T278Q123-N281 CarbonylContact C-O 3.52Å; Q123-N281 WeakPolarHBondContact CA-O 3.08Å; V124-N281 HydrophobicContact CB-CB 4.19Å; V124-N281 PolarHBondContact N-O 3.22Å; A195-N281 VanDerWaalsContact CB-C 3.46Å; A195-N281 HydrophobicContact CB-CB 3.95Å; A195-N281 PolarHBondContact N-OD1 3.29Å; N277-N281 CarbonylContact O-C 3.6Å; N277-N281 VanDerWaalsContact O-CA 3.29Å; N277-N281 WeakPolarHBondContact O-CA 3.19Å; N277-N281 PolarHBondContact O-N 3.3Å; T278-N281 PolarHBondContact O-N 3.35Å
282I98.4Very high98Very high19 Ų1934.5 Ų34.510%0.09718%0.179CC..EExtended strand (participates in β ladder)trans-110.2134.1-177.8-57.1175.2000110.7L104 L121 L122 Q123 I276 N277 H280 Y284L104-I282 HydrophobicContact CD1-CD1 4.18Å; L121-I282 HydrophobicContact CB-CG2 4.07Å; L121-I282 HydrophobicContact CD2-CG2 4.29Å; L122-I282 WeakPolarHBondContact O-CA 3.5Å; Q123-I282 HydrophobicContact CB-CG1 4.29Å; Q123-I282 HydrophobicContact CG-CG1 4.13Å; I276-I282 WeakPolarHBondContact CA-O 3.32Å; N277-I282 HydrophobicContact CB-CB 4.23Å; N277-I282 PolarHBondContact N-O 3.26Å; N277-I282 PolarHBondContact O-N 2.83Å; H280-I282 HydrophobicContact CB-CD1 3.76Å; H280-I282 HydrophobicContact CB-CG1 3.87Å; I282-Y284 HydrophobicContact CB-CE2 4.12Å; I282-Y284 HydrophobicContact CG2-CD2 4.16Å; I282-Y284 HydrophobicContact CG2-CE2 3.7Å
283I98.6Very high98Very high0 Ų040.1 Ų40.10%020%0.203CC..EExtended strand (participates in β ladder)trans-110.6128.6176-50.6160.6000108.4L99 L122 V124 A195 F198 V273 V285L99-I283 HydrophobicContact CD1-CD1 4.12Å; L122-I283 HydrophobicContact CB-CB 4.38Å; L122-I283 PolarHBondContact N-O 3.24Å; L122-I283 PolarHBondContact O-N 3Å; V124-I283 HydrophobicContact CG2-CD1 3.83Å; V124-I283 HydrophobicContact CG2-CG1 4.48Å; A195-I283 HydrophobicContact CB-CD1 4.4Å; A195-I283 HydrophobicContact CB-CG1 3.86Å; F198-I283 HydrophobicContact CD2-CD1 3.61Å; F198-I283 HydrophobicContact CE2-CD1 4.19Å; V273-I283 HydrophobicContact CG1-CG2 3.77Å; V273-I283 HydrophobicContact CG2-CG2 4.24Å; I283-V285 HydrophobicContact CG2-CG2 3.78Å
284Y98.6Very high98Very high20 Ų2044.9 Ų44.98%0.07823%0.229CC..EExtended strand (participates in β ladder)trans-101.299.5179.4-62.2-106.2000109.2M107 V119 L121 W274 R275 N277 I282M107-Y284 HydrophobicContact SD-CD1 3.89Å; M107-Y284 HydrophobicContact SD-CE1 3.53Å; M107-Y284 VanDerWaalsContact SD-CE1 3.53Å; V119-Y284 HydrophobicContact CG2-CD1 4.22Å; L121-Y284 HydrophobicContact CD2-CD1 4.27Å; L121-Y284 HydrophobicContact CD2-CE1 3.59Å; L121-Y284 HydrophobicContact CG-CD1 4.06Å; L121-Y284 HydrophobicContact CG-CE1 3.9Å; W274-Y284 PolarHBondContact N-O 2.77Å; R275-Y284 HydrophobicContact CB-CD2 3.8Å; R275-Y284 HydrophobicContact CB-CG 3.96Å; R275-Y284 HydrophobicContact CG-CD2 3.77Å; R275-Y284 HydrophobicContact CG-CE2 4.02Å; R275-Y284 HydrophobicContact CG-CG 4.34Å; R275-Y284 WeakPolarHBondContact O-CB 3.4Å; R275-Y284 VanDerWaalsContact O-CD2 3.32Å; R275-Y284 WeakPolarHBondContact O-CD2 3.43Å; R275-Y284 PolarHBondContact O-N 3.42Å; N277-Y284 HydrophobicContact CB-CE2 4.17Å; I282-Y284 HydrophobicContact CB-CE2 4.12Å; I282-Y284 HydrophobicContact CG2-CD2 4.16Å; I282-Y284 HydrophobicContact CG2-CE2 3.7Å
285V98.6Very high97.9Very high0 Ų044.8 Ų44.80%023%0.23CC..EExtended strand (participates in β ladder)trans-98.9136.6-174.81800000110.4V119 T120 L122 V204 L271 V273 I283V119-V285 CarbonylContact C-O 3.56Å; V119-V285 VanDerWaalsContact CA-O 3.26Å; V119-V285 WeakPolarHBondContact CA-O 3.3Å; V119-V285 WeakPolarHBondContact CB-O 3.48Å; T120-V285 PolarHBondContact N-O 2.9Å; T120-V285 PolarHBondContact O-N 2.77Å; L122-V285 HydrophobicContact CD1-CB 4.42Å; L122-V285 HydrophobicContact CD1-CG2 3.71Å; L122-V285 HydrophobicContact CG-CG2 4.27Å; V204-V285 HydrophobicContact CG2-CG1 4.07Å; V204-V285 HydrophobicContact CG2-CG2 4.19Å; L271-V285 HydrophobicContact CB-CG1 3.38Å; L271-V285 HydrophobicContact CD1-CG1 3.76Å; L271-V285 HydrophobicContact CG-CG1 4.21Å; V273-V285 HydrophobicContact CG2-CG2 4.5Å; I283-V285 HydrophobicContact CG2-CG2 3.78Å
286N98.4Very high98Very high45 Ų4544.5 Ų44.524%0.24123%0.231CC..EExtended strand (participates in β ladder)trans-60.2143178.7-16936.1000112.7K272 W274K272-N286 HydrophobicContact CB-CB 4.23Å; K272-N286 VanDerWaalsContact O-CB 3.3Å; K272-N286 WeakPolarHBondContact O-CB 3.45Å; K272-N286 PolarHBondContact O-N 2.89Å; W274-N286 PolarHBondContact NE1-OD1 3.19Å
287G97.5Very high98Very high18 Ų1844.6 Ų44.619%0.18623%0.232CC..SBendtrans70.6-153173.200000114.1V118 T120V118-G287 WeakPolarHBondContact O-CA 3.29Å; V118-G287 PolarHBondContact O-N 2.96Å; T120-G287 PolarHBondContact OG1-O 2.72Å
288S97.9Very high98Very high81 Ų8146.2 Ų46.257%0.56624%0.238SC*.  trans-106.5139.9-176.772.20000112
289V98.3Very high98.1Very high6 Ų644.9 Ų44.94%0.03623%0.23CC..  trans-104.6140.8176.9172.40000110.1K103 T120 V206 L271 V297K103-V289 HydrophobicContact CD-CB 4.37Å; K103-V289 HydrophobicContact CD-CG1 4.45Å; K103-V289 PolarHBondContact NZ-O 2.94Å; T120-V289 HydrophobicContact CG2-CB 4.13Å; T120-V289 HydrophobicContact CG2-CG2 3.96Å; V206-V289 HydrophobicContact CB-CG1 4.12Å; V206-V289 HydrophobicContact CB-CG2 4.4Å; V206-V289 HydrophobicContact CG1-CG1 3.39Å; V206-V289 HydrophobicContact CG1-CG2 4.33Å; V206-V289 HydrophobicContact CG2-CG2 4.38Å; L271-V289 HydrophobicContact CD1-CG2 4.12Å; V289-V297 HydrophobicContact CG1-CG1 4.08Å
290P98.3Very high98.2Very high24 Ų2440.8 Ų40.816%0.15621%0.211CC..SBendtrans-58.2146.117521.7-32.7000112.6A208 T210A208-P290 HydrophobicContact CB-CB 4.36Å; A208-P290 HydrophobicContact CB-CG 4.1Å; A208-P290 VanDerWaalsContact CB-O 3.27Å; A208-P290 WeakPolarHBondContact CB-O 3.45Å; T210-P290 HydrophobicContact CG2-CB 4.15Å
291G97.8Very high98.2Very high8 Ų838.3 Ų38.38%0.08220%0.201CC..SBendtrans104164.6175.600000114.8K103 K209K103-G291 PolarHBondContact NZ-O 2.84Å; K209-G291 WeakPolarHBondContact O-CA 3.37Å
292H98.4Very high98.2Very high109 Ų10937.3 Ų37.351%0.50520%0.197SC..  trans-75.8167.7179.26187.1000111.4I211 C295I211-H292 HydrophobicContact CD1-CB 4.45Å; I211-H292 HydrophobicContact CG1-CB 4.16Å; H292-C295 WeakPolarHBondContact O-CB 3.5Å; H292-C295 PolarHBondContact O-N 2.73Å; H292-C295 PolarHBondContact O-SG 2.68Å
293K98.1Very high98Very high150 Ų15043 Ų4365%0.65222%0.221SC*.THydrogen-bonded Turntrans-61.4145.5170.4-62.3-176.7-177.8-178.60109.8K103 C295K103-K293 CarbonylContact O-C 3.59Å; K293-C295 VanDerWaalsContact C-N 3.25Å; K293-C295 PolarHBondContact O-N 3.03Å
294N97.8Very high97.9Very high100 Ų10045.8 Ų45.854%0.53524%0.236SC..THydrogen-bonded Turntrans63.119.8-174.6-53.8-26.9000115.6L102 K103L102-N294 HydrophobicContact CD2-CB 4.33Å; K103-N294 WeakPolarHBondContact O-CA 3.49Å; K103-N294 PolarHBondContact O-N 3.41Å
295C97.9Very high97.7Very high13 Ų1350.3 Ų50.39%0.08827%0.267CS..  trans-86.3152.617178.60000111.8L102 K103 H292 K293L102-C295 WeakPolarHBondContact CA-O 3.39Å; K103-C295 PolarHBondContact N-O 3.39Å; H292-C295 WeakPolarHBondContact O-CB 3.5Å; H292-C295 PolarHBondContact O-N 2.73Å; H292-C295 PolarHBondContact O-SG 2.68Å; K293-C295 VanDerWaalsContact C-N 3.25Å; K293-C295 PolarHBondContact O-N 3.03Å
296L98.3Very high97.6Very high32 Ų3254.1 Ų54.117%0.16830%0.299CS..EExtended strand (participates in β ladder)trans-83.2132.3174.1-69.4162.2000110.2I100 A101 L102 K150 Q174 T175I100-L296 HydrophobicContact CG2-CB 4.42Å; I100-L296 HydrophobicContact CG2-CD2 4.07Å; A101-L296 CarbonylContact O-C 3.59Å; A101-L296 WeakPolarHBondContact O-CA 3.38Å; L102-L296 HydrophobicContact CB-CD2 4.43Å; K150-L296 HydrophobicContact CB-CD1 4.18Å; K150-L296 HydrophobicContact CB-CD2 3.82Å; K150-L296 HydrophobicContact CD-CD1 4.31Å; K150-L296 HydrophobicContact CD-CD2 4.32Å; Q174-L296 HydrophobicContact CB-CD1 3.68Å; Q174-L296 HydrophobicContact CG-CD1 3.83Å; T175-L296 HydrophobicContact CG2-CB 4.24Å; T175-L296 HydrophobicContact CG2-CD1 3.59Å; T175-L296 WeakPolarHBondContact OG1-CD1 3.36Å
297V98.4Very high97.4Very high2 Ų255.1 Ų55.11%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-125143.6-176.5-520000110I100 A101 K103 L122 V206 A208 V289 V299I100-V297 WeakPolarHBondContact CA-O 3.34Å; A101-V297 HydrophobicContact CB-CG2 4.08Å; A101-V297 PolarHBondContact N-O 2.9Å; A101-V297 WeakPolarHBondContact O-CG2 3.33Å; A101-V297 PolarHBondContact O-N 3.36Å; K103-V297 HydrophobicContact CB-CG1 4.12Å; L122-V297 HydrophobicContact CD1-CG2 4.1Å; L122-V297 HydrophobicContact CD2-CG2 3.83Å; V206-V297 HydrophobicContact CG1-CB 3.83Å; V206-V297 HydrophobicContact CG1-CG2 3.93Å; A208-V297 HydrophobicContact CB-CB 4.11Å; A208-V297 HydrophobicContact CB-CG1 3.67Å; V289-V297 HydrophobicContact CG1-CG1 4.08Å; V297-V299 HydrophobicContact CG2-CG2 4.02Å
298K98.6Very high97.1Very high41 Ų4160.6 Ų60.618%0.17832%0.318CS..EExtended strand (participates in β ladder)trans-92.8123.2173.9-176.3-170.1-177.1177.90108.1K177 I178 F179 V206 T207K177-K298 HydrophobicContact CB-CD 4.22Å; K177-K298 HydrophobicContact CB-CG 4.32Å; K177-K298 HydrophobicContact CG-CB 4.34Å; K177-K298 HydrophobicContact CG-CD 4.44Å; K177-K298 HydrophobicContact CG-CG 4.38Å; I178-K298 PolarHBondContact O-NZ 2.83Å; F179-K298 VanDerWaalsContact CD1-CE 3.43Å; F179-K298 HydrophobicContact CE1-CD 4.04Å; F179-K298 HydrophobicContact CE1-CG 3.61Å; F179-K298 HydrophobicContact CE2-CG 4.43Å; F179-K298 HydrophobicContact CZ-CD 4.14Å; F179-K298 HydrophobicContact CZ-CG 3.48Å; F179-K298 VanDerWaalsContact CZ-CG 3.48Å; V206-K298 CarbonylContact C-O 3.46Å; V206-K298 WeakPolarHBondContact CA-O 3.5Å; T207-K298 PolarHBondContact N-O 3.16Å; T207-K298 PolarHBondContact O-N 3.3Å
299V98.6Very high96.7Very high0 Ų060 Ų600%031%0.309CS..EExtended strand (participates in β ladder)trans-116.1136.3178.4-170.90000108.7G98 L99 A101 L122 F179 F198 V204 V206 V297G98-V299 CarbonylContact C-O 3.36Å; G98-V299 VanDerWaalsContact CA-O 3.3Å; G98-V299 WeakPolarHBondContact CA-O 3.02Å; L99-V299 PolarHBondContact N-O 2.97Å; L99-V299 PolarHBondContact O-N 3.02Å; A101-V299 HydrophobicContact CB-CG2 4.3Å; L122-V299 HydrophobicContact CD1-CG2 3.78Å; F179-V299 WeakPolarHBondContact CE1-O 3.28Å; F198-V299 HydrophobicContact CE2-CB 4.1Å; F198-V299 HydrophobicContact CE2-CG1 3.63Å; F198-V299 HydrophobicContact CZ-CB 4.26Å; F198-V299 HydrophobicContact CZ-CG1 3.67Å; V204-V299 HydrophobicContact CB-CG1 3.99Å; V204-V299 HydrophobicContact CG1-CG1 4.3Å; V204-V299 HydrophobicContact CG2-CG1 4.15Å; V206-V299 HydrophobicContact CG1-CG2 4.26Å; V206-V299 HydrophobicContact CG2-CG1 4.29Å; V206-V299 HydrophobicContact CG2-CG2 4.26Å; V297-V299 HydrophobicContact CG2-CG2 4.02Å
300R98.1Very high96.2Very high54 Ų5465 Ų6520%0.20434%0.335CS..EExtended strand (participates in β ladder)trans-149.3165.2175.157.3177.9-178.873.914.2109.9F179 V204 D205F179-R300 HydrophobicContact CD1-CB 4.29Å; F179-R300 HydrophobicContact CE1-CB 4.1Å; V204-R300 CarbonylContact C-O 3.59Å; V204-R300 WeakPolarHBondContact CA-O 3.31Å; V204-R300 WeakPolarHBondContact CB-O 3.15Å; D205-R300 HydrophobicContact CB-CG 4.19Å; D205-R300 PolarHBondContact N-O 3.16Å; D205-R300 PolarHBondContact O-N 3.18Å; D205-R300 VanDerWaalsContact O-N 3.09Å; D205-R300 IonicContact OD2-CZ 3.71Å; D205-R300 IonicContact OD2-NH1 2.88Å; D205-R300 PolarHBondContact OD2-NH1 2.64Å; D205-R300 IonicContact OD2-NH2 3.57Å; D205-R300 PolarHBondContact OD2-NH2 3.14Å
301D97.7Very high95.5Very high46 Ų4664.9 Ų64.925%0.24634%0.338CS..EExtended strand (participates in β ladder)trans-55.6148170.9-64.8-18.5000111.3R96 F198R96-D301 WeakPolarHBondContact CG-OD2 3.31Å; R96-D301 IonicContact CZ-OD1 3.81Å; R96-D301 IonicContact CZ-OD2 2.68Å; R96-D301 IonicContact NE-OD1 3.56Å; R96-D301 IonicContact NE-OD2 3.71Å; R96-D301 PolarHBondContact NE-OD2 3.42Å; R96-D301 IonicContact NH2-OD1 3.27Å; R96-D301 PolarHBondContact NH2-OD1 3.42Å; R96-D301 IonicContact NH2-OD2 3.57Å; F198-D301 WeakPolarHBondContact CE1-OD1 3.44Å
302S97.3Very high95.1Very high16 Ų1671.5 Ų71.511%0.11236%0.364CS..  trans-69.2137.4-177-165.20000111.9Y203 D205 L304Y203-S302 WeakPolarHBondContact O-CB 3.29Å; Y203-S302 PolarHBondContact O-N 2.73Å; D205-S302 WeakPolarHBondContact OD1-CA 3.44Å; D205-S302 WeakPolarHBondContact OD1-CB 3.46Å; D205-S302 PolarHBondContact OD1-OG 2.94Å; S302-L304 VanDerWaalsContact C-N 3.34Å
303K95.2Very high94.7Very high137 Ų13773.4 Ų73.460%0.59638%0.378SS*.  trans-90.22.2176.373.4178.3-164.2177.60113.9D205 F269D205-K303 WeakPolarHBondContact OD2-CG 3.39Å; D205-K303 PolarHBondContact OD2-N 3.38Å; F269-K303 HydrophobicContact CD1-CD 4.46Å; F269-K303 HydrophobicContact CD1-CG 4.2Å; F269-K303 HydrophobicContact CE1-CD 3.89Å; F269-K303 HydrophobicContact CE1-CG 4.13Å
304L96.6Very high94.6Very high60 Ų6067.7 Ų67.731%0.31436%0.355SS..  trans-68137.8-176.7-68.6174.6000109.8F269 S302 A306 Y307F269-L304 HydrophobicContact CB-CD1 4.15Å; F269-L304 HydrophobicContact CB-CD2 4.39Å; F269-L304 HydrophobicContact CB-CG 4.32Å; S302-L304 VanDerWaalsContact C-N 3.34Å; L304-A306 PolarHBondContact O-N 3.35Å; L304-A306 VanDerWaalsContact O-N 3.15Å; L304-Y307 HydrophobicContact CB-CD2 3.86Å; L304-Y307 HydrophobicContact CB-CE2 4.23Å; L304-Y307 HydrophobicContact CD1-CD2 4.2Å; L304-Y307 HydrophobicContact CD1-CE2 3.83Å; L304-Y307 PolarHBondContact O-N 3.45Å
305P95.2Very high94.4Very high114 Ų11464 Ų6474%0.7434%0.336SS*.G310 helixtrans-56.6-33.8-176.4-2734.8000114Y307 K308P305-Y307 PolarHBondContact O-N 3.31Å; P305-K308 WeakPolarHBondContact O-CB 3.26Å; P305-K308 PolarHBondContact O-N 3.04Å
306A96.1Very high94.3Very high80 Ų8064.9 Ų64.966%0.66134%0.339SS*.G310 helixtrans-63.1-22.9179.500000114L304L304-A306 PolarHBondContact O-N 3.35Å; L304-A306 VanDerWaalsContact O-N 3.15Å
307Y93.6Very high94.1Very high66 Ų6663.6 Ų63.626%0.25933%0.332SS..G310 helixtrans-111.713.5-177.5-48.4-49.3000112.4Y203 L304 P305 L310Y203-Y307 HydrophobicContact CD1-CD2 4.25Å; Y203-Y307 HydrophobicContact CD1-CE1 4.23Å; Y203-Y307 AromaticContact CD1-CE2 3.64Å; Y203-Y307 HydrophobicContact CD1-CE2 3.64Å; Y203-Y307 AromaticContact CD1-CZ 3.63Å; Y203-Y307 AromaticContact CD2-CD1 3.62Å; Y203-Y307 HydrophobicContact CD2-CD1 3.62Å; Y203-Y307 HydrophobicContact CD2-CD2 4.2Å; Y203-Y307 AromaticContact CD2-CE1 3.55Å; Y203-Y307 HydrophobicContact CD2-CE1 3.55Å; Y203-Y307 HydrophobicContact CD2-CE2 4.14Å; Y203-Y307 AromaticContact CD2-CG 3.96Å; Y203-Y307 HydrophobicContact CD2-CG 3.96Å; Y203-Y307 AromaticContact CD2-CZ 3.82Å; Y203-Y307 HydrophobicContact CE1-CE1 4.17Å; Y203-Y307 HydrophobicContact CE1-CE2 4.12Å; Y203-Y307 AromaticContact CE1-CZ 3.64Å; Y203-Y307 WeakPolarHBondContact CE1-OH 3.49Å; Y203-Y307 AromaticContact CE2-CD1 3.98Å; Y203-Y307 HydrophobicContact CE2-CD1 3.98Å; Y203-Y307 AromaticContact CE2-CE1 3.5Å; Y203-Y307 HydrophobicContact CE2-CE1 3.5Å; Y203-Y307 AromaticContact CE2-CZ 3.86Å; Y203-Y307 HydrophobicContact CG-CD1 4.07Å; Y203-Y307 AromaticContact CG-CD2 3.78Å; Y203-Y307 HydrophobicContact CG-CD2 3.78Å; Y203-Y307 AromaticContact CG-CE1 3.93Å; Y203-Y307 HydrophobicContact CG-CE1 3.93Å; Y203-Y307 AromaticContact CG-CE2 3.63Å; Y203-Y307 HydrophobicContact CG-CE2 3.63Å; Y203-Y307 HydrophobicContact CG-CG 4.01Å; Y203-Y307 AromaticContact CG-CZ 3.71Å; Y203-Y307 AromaticContact CZ-CE1 3.81Å; Y203-Y307 AromaticContact CZ-CZ 3.75Å; L304-Y307 HydrophobicContact CB-CD2 3.86Å; L304-Y307 HydrophobicContact CB-CE2 4.23Å; L304-Y307 HydrophobicContact CD1-CD2 4.2Å; L304-Y307 HydrophobicContact CD1-CE2 3.83Å; L304-Y307 PolarHBondContact O-N 3.45Å; P305-Y307 PolarHBondContact O-N 3.31Å; Y307-L310 HydrophobicContact CD1-CD1 4.01Å
308K91.4Very high94Very high133 Ų13363.8 Ų63.858%0.57833%0.333SS*.THydrogen-bonded Turntrans-65.8142.9175.5-164.2-169.8167.6-168.70109.2P305 L310P305-K308 WeakPolarHBondContact O-CB 3.26Å; P305-K308 PolarHBondContact O-N 3.04Å; K308-L310 PolarHBondContact O-N 2.83Å
309D89.2Confident93.9Very high69 Ų6962.9 Ų62.937%0.36933%0.329SS..THydrogen-bonded Turntrans637.1174.8-52.2-46.2000116.1W90 G93 G311W90-D309 HydrophobicContact CH2-CB 4.29Å; W90-D309 HydrophobicContact CZ2-CB 4.2Å; G93-D309 PolarHBondContact N-OD1 2.81Å; D309-G311 PolarHBondContact O-N 2.8Å
310L88.9Confident93.7Very high112 Ų11264.3 Ų64.359%0.58634%0.335SS*.G310 helixtrans-70.5-3.2168.6-65.5-178.8000113.5Y307 K308 K312Y307-L310 HydrophobicContact CD1-CD1 4.01Å; K308-L310 PolarHBondContact O-N 2.83Å; L310-K312 VanDerWaalsContact C-N 3.26Å; L310-K312 PolarHBondContact O-N 2.88Å
311G82.2Confident93.3Very high20 Ų2064 Ų6421%0.20634%0.341CS..G310 helixtrans-76.9-2.3-178.600000115.6D309 N313 L314D309-G311 PolarHBondContact O-N 2.8Å; G311-N313 VanDerWaalsContact C-N 3.26Å; G311-N313 PolarHBondContact O-N 3.4Å; G311-L314 WeakPolarHBondContact O-CB 3.39Å; G311-L314 PolarHBondContact O-N 3.36Å; G311-L314 VanDerWaalsContact O-N 3.14Å
312K89.6Confident92.7Very high147 Ų14765 Ų6564%0.63935%0.346SS*.G310 helixtrans-58-35.9-177.8-174.2-178.8178.2-174.70113.5W90 L310W90-K312 HydrophobicContact CD2-CB 4.25Å; W90-K312 HydrophobicContact CE3-CB 3.96Å; W90-K312 HydrophobicContact CE3-CG 3.88Å; W90-K312 HydrophobicContact CH2-CB 4.07Å; W90-K312 HydrophobicContact CZ2-CB 4.36Å; W90-K312 HydrophobicContact CZ3-CB 3.87Å; W90-K312 HydrophobicContact CZ3-CD 4.25Å; W90-K312 HydrophobicContact CZ3-CG 3.91Å; L310-K312 VanDerWaalsContact C-N 3.26Å; L310-K312 PolarHBondContact O-N 2.88Å
313N90.8Very high91.8Very high150 Ų15066.4 Ų66.480%0.80236%0.362SS*.G310 helixtrans-95.49.2-177.1-62.6-3.6000112.8G311G311-N313 VanDerWaalsContact C-N 3.26Å; G311-N313 PolarHBondContact O-N 3.4Å
314L95Very high91.1Very high29 Ų2964 Ų6415%0.15236%0.356CS..SBendtrans-99.9153.9-178.4-60177.7000110.2R199 G311 F316R199-L314 HydrophobicContact CB-CD2 3.74Å; R199-L314 HydrophobicContact CG-CD2 3.92Å; G311-L314 WeakPolarHBondContact O-CB 3.39Å; G311-L314 PolarHBondContact O-N 3.36Å; G311-L314 VanDerWaalsContact O-N 3.14Å; L314-F316 PolarHBondContact O-N 2.85Å
315P94.9Very high90Very high24 Ų2470.9 Ų70.916%0.15639%0.387CS..  trans-63.4128.2176.726.6-34.3000110.1R96 H197R96-P315 PolarHBondContact NH1-O 2.92Å; H197-P315 WeakPolarHBondContact O-CG 3.17Å
316F95.7Very high89.6Confident30 Ų3073.2 Ų73.213%0.13239%0.388CS..SBendtrans-132.6129.9-179.2-172.2-91.9000109.2H88 W90 R96 N184 A185 L314H88-F316 VanDerWaalsContact O-CD1 3.27Å; H88-F316 WeakPolarHBondContact O-CD1 3.3Å; H88-F316 WeakPolarHBondContact O-CE1 3.42Å; W90-F316 HydrophobicContact CB-CB 4.33Å; W90-F316 HydrophobicContact CB-CD1 4.41Å; W90-F316 HydrophobicContact CB-CG 4.22Å; R96-F316 HydrophobicContact CB-CD2 3.97Å; R96-F316 HydrophobicContact CB-CE2 4.01Å; N184-F316 HydrophobicContact CB-CE1 4.44Å; N184-F316 HydrophobicContact CB-CZ 4.35Å; N184-F316 VanDerWaalsContact O-CE1 3.29Å; N184-F316 WeakPolarHBondContact O-CE1 3.27Å; N184-F316 WeakPolarHBondContact O-CZ 3.43Å; A185-F316 HydrophobicContact CB-CE2 3.68Å; A185-F316 HydrophobicContact CB-CZ 3.57Å; L314-F316 PolarHBondContact O-N 2.85Å
317P93.9Very high89.2Confident6 Ų678.3 Ų78.34%0.03940%0.398CS..SBendcis-75.7-23.92.730.4-37.8000114.1I187 F320I187-P317 HydrophobicContact CD1-CB 4.13Å; I187-P317 HydrophobicContact CG1-CB 3.88Å; I187-P317 HydrophobicContact CG1-CG 4.19Å; P317-F320 HydrophobicContact CG-CE2 4.21Å; P317-F320 HydrophobicContact CG-CZ 4.36Å
318T96.3Very high89.2Confident5 Ų576.6 Ų76.63%0.03139%0.393CS..  trans-156.1174.6173.9-171.70000109.7I187 L193 H197 F320I187-T318 HydrophobicContact CD1-CG2 3.9Å; L193-T318 HydrophobicContact CD2-CG2 4.06Å; L193-T318 WeakPolarHBondContact CD2-OG1 3.38Å; H197-T318 PolarHBondContact ND1-OG1 3.11Å; T318-F320 HydrophobicContact CG2-CD1 4.34Å; T318-F320 HydrophobicContact CG2-CD2 4.4Å; T318-F320 HydrophobicContact CG2-CE1 3.8Å; T318-F320 HydrophobicContact CG2-CE2 3.86Å; T318-F320 HydrophobicContact CG2-CZ 3.54Å
319Y95.7Very high89.3Confident22 Ų2274 Ų749%0.08639%0.39CS..  trans-79.5133.6170.8173.7-102.4000110.9A196 P321 D324 L328A196-Y319 HydrophobicContact CB-CD1 3.54Å; A196-Y319 HydrophobicContact CB-CD2 4.31Å; A196-Y319 HydrophobicContact CB-CE1 3.76Å; A196-Y319 HydrophobicContact CB-CE2 4.5Å; A196-Y319 HydrophobicContact CB-CG 3.81Å; Y319-P321 HydrophobicContact CE1-CB 3.97Å; Y319-D324 VanDerWaalsContact CE2-OD2 3.3Å; Y319-D324 WeakPolarHBondContact CE2-OD2 3.45Å; Y319-L328 HydrophobicContact CD2-CD1 4.27Å; Y319-L328 HydrophobicContact CE1-CD1 4.39Å; Y319-L328 HydrophobicContact CE2-CD1 3.48Å; Y319-L328 VanDerWaalsContact CE2-CD1 3.48Å; Y319-L328 HydrophobicContact CE2-CG 4.11Å; Y319-L328 WeakPolarHBondContact OH-CD1 3.11Å
320F94Very high89.6Confident31 Ų3175.5 Ų75.514%0.13640%0.395CS..  trans-120.8111177.3-64.1-77.4000109.9P79 L80 I87 T191 P317 T318 D322 G323P79-F320 HydrophobicContact CG-CD1 3.95Å; P79-F320 HydrophobicContact CG-CE1 4.27Å; L80-F320 HydrophobicContact CD1-CB 3.65Å; L80-F320 HydrophobicContact CD1-CD1 4.47Å; L80-F320 HydrophobicContact CD1-CG 4.06Å; L80-F320 HydrophobicContact CD2-CB 4.4Å; L80-F320 HydrophobicContact CD2-CD1 3.83Å; L80-F320 HydrophobicContact CD2-CD2 4.16Å; L80-F320 HydrophobicContact CD2-CE1 4.05Å; L80-F320 HydrophobicContact CD2-CE2 4.36Å; L80-F320 HydrophobicContact CD2-CG 3.88Å; L80-F320 HydrophobicContact CD2-CZ 4.3Å; L80-F320 HydrophobicContact CG-CB 4.03Å; L80-F320 HydrophobicContact CG-CD1 3.92Å; L80-F320 HydrophobicContact CG-CG 3.99Å; I87-F320 HydrophobicContact CD1-CE2 4.17Å; T191-F320 HydrophobicContact CG2-CE1 4.09Å; P317-F320 HydrophobicContact CG-CE2 4.21Å; P317-F320 HydrophobicContact CG-CZ 4.36Å; T318-F320 HydrophobicContact CG2-CD1 4.34Å; T318-F320 HydrophobicContact CG2-CD2 4.4Å; T318-F320 HydrophobicContact CG2-CE1 3.8Å; T318-F320 HydrophobicContact CG2-CE2 3.86Å; T318-F320 HydrophobicContact CG2-CZ 3.54Å; F320-D322 VanDerWaalsContact C-N 3.29Å; F320-D322 PolarHBondContact O-N 3Å; F320-G323 PolarHBondContact O-N 3.22Å
321P90.5Very high90Very high48 Ų4871.7 Ų71.731%0.31238%0.375SS..THydrogen-bonded Turntrans-67.4-27.3-179.326.7-33.6000113.4Y194 Y319 G323Y194-P321 HydrophobicContact CD2-CG 4.1Å; Y194-P321 HydrophobicContact CE2-CG 3.65Å; Y319-P321 HydrophobicContact CE1-CB 3.97Å; P321-G323 VanDerWaalsContact C-N 3.31Å; P321-G323 PolarHBondContact O-N 2.78Å
322D85.4Confident90.7Very high66 Ų6672.1 Ų72.135%0.35337%0.372SS..THydrogen-bonded Turntrans-77.9-16.1-176.3-42.7-41.6000114.2C78 P79 L80 F320C78-D322 WeakPolarHBondContact CA-OD2 3.35Å; P79-D322 VanDerWaalsContact CD-OD2 3.25Å; P79-D322 WeakPolarHBondContact CD-OD2 3.29Å; L80-D322 HydrophobicContact CD1-CB 4.48Å; F320-D322 VanDerWaalsContact C-N 3.29Å; F320-D322 PolarHBondContact O-N 3Å
323G77.9Confident91Very high45 Ų4567.6 Ų67.646%0.46435%0.351SS..THydrogen-bonded Turntrans-103.3-17.5-170.800000114.2L80 F320 P321L80-G323 VanDerWaalsContact CD1-CA 3.47Å; F320-G323 PolarHBondContact O-N 3.22Å; P321-G323 VanDerWaalsContact C-N 3.31Å; P321-G323 PolarHBondContact O-N 2.78Å
324D79.8Confident91.4Very high86 Ų8661.4 Ų61.446%0.4632%0.319SS..  trans-85.3128.7175.3-78-17.1000108.9Y319 E326Y319-D324 VanDerWaalsContact CE2-OD2 3.3Å; Y319-D324 WeakPolarHBondContact CE2-OD2 3.45Å; D324-E326 PolarHBondContact O-N 2.88Å
325E73.8Confident91.4Very high205 Ų20567.7 Ų67.796%0.95835%0.347SS*.SBendtrans-68.5-22.3176.6-63.9-179-177.300112
326E85.9Confident91.5Very high164 Ų16470 Ų7077%0.76636%0.358SS*.SBendtrans-112123.2-179.6-68.1-174.7174.300111.7D324 L328D324-E326 PolarHBondContact O-N 2.88Å; E326-L328 PolarHBondContact O-N 3.26Å
327E87.9Confident91.5Very high187 Ų18768.8 Ų68.887%0.87435%0.353SS*.PPolyproline II helixtrans-70.3130.1172.3-166.8177.7178.600110.2
328L93.5Very high91.6Very high29 Ų2970.3 Ų70.315%0.15236%0.363CS..PPolyproline II helixtrans-63145.9176.4-65.4175.8000111.1A196 T278 Y319 E326 L332A196-L328 HydrophobicContact CB-CD1 3.9Å; T278-L328 HydrophobicContact CG2-CB 4.02Å; T278-L328 HydrophobicContact CG2-CD1 4.35Å; Y319-L328 HydrophobicContact CD2-CD1 4.27Å; Y319-L328 HydrophobicContact CE1-CD1 4.39Å; Y319-L328 HydrophobicContact CE2-CD1 3.48Å; Y319-L328 VanDerWaalsContact CE2-CD1 3.48Å; Y319-L328 HydrophobicContact CE2-CG 4.11Å; Y319-L328 WeakPolarHBondContact OH-CD1 3.11Å; E326-L328 PolarHBondContact O-N 3.26Å; L328-L332 HydrophobicContact CD1-CD1 4.3Å
329P95.1Very high91.6Very high80 Ų8075.1 Ų75.152%0.51939%0.386SS..PPolyproline II helixtrans-51.3154.8170.7-26.333.1000112.8T278 D331 L332T278-P329 WeakPolarHBondContact CG2-O 3.31Å; T278-P329 PolarHBondContact OG1-O 3.32Å; P329-D331 PolarHBondContact O-N 2.93Å; P329-L332 HydrophobicContact CB-CD2 4.46Å; P329-L332 HydrophobicContact CG-CD2 4.27Å
330E94.9Very high91.4Very high99 Ų9978.5 Ų78.546%0.46341%0.41SS..SBendtrans-55.9-36.9179.3-177168.1-159.800112.1N277 T278 K279N277-E330 WeakPolarHBondContact CA-O 3.38Å; T278-E330 PolarHBondContact N-O 3.2Å; T278-E330 WeakPolarHBondContact OG1-CA 3.11Å; T278-E330 PolarHBondContact OG1-O 3.42Å; K279-E330 HydrophobicContact CB-CG 4.25Å; K279-E330 HydrophobicContact CD-CG 4.48Å; K279-E330 WeakPolarHBondContact CD-OE1 3.39Å; K279-E330 IonicContact NZ-OE1 3.4Å; K279-E330 PolarHBondContact NZ-OE1 2.99Å
331D96.6Very high91.4Very high33 Ų3381.2 Ų81.218%0.17645%0.447CS..EExtended strand (participates in β ladder)trans-131.3128.5175.7-70.5-61.8000112R275 I276 N277 P329 Y333R275-D331 IonicContact CZ-OD1 2.94Å; R275-D331 VanDerWaalsContact CZ-OD1 3.27Å; R275-D331 IonicContact CZ-OD2 3.69Å; R275-D331 VanDerWaalsContact NE-CG 3.32Å; R275-D331 IonicContact NE-OD1 2.76Å; R275-D331 PolarHBondContact NE-OD1 3.09Å; R275-D331 IonicContact NE-OD2 3.18Å; R275-D331 IonicContact NH2-OD1 2.87Å; R275-D331 PolarHBondContact NH2-OD1 3.31Å; R275-D331 IonicContact NH2-OD2 2.65Å; R275-D331 PolarHBondContact NH2-OD2 3.28Å; I276-D331 CarbonylContact O-C 3.55Å; I276-D331 WeakPolarHBondContact O-CA 3.46Å; N277-D331 VanDerWaalsContact CB-OD1 3.31Å; N277-D331 WeakPolarHBondContact CB-OD1 3.41Å; N277-D331 PolarHBondContact ND2-OD1 3Å; P329-D331 PolarHBondContact O-N 2.93Å; D331-Y333 HydrophobicContact CB-CD2 4.1Å; D331-Y333 HydrophobicContact CB-CE2 3.34Å; D331-Y333 PolarHBondContact OD2-OH 3.12Å
332L96.9Very high91.6Very high28 Ų2881.4 Ų81.415%0.14745%0.452CS..EExtended strand (participates in β ladder)trans-98.6118.7168.9-59.3175.8000108.6P200 R275 I276 L328 P329P200-L332 HydrophobicContact CG-CB 3.62Å; P200-L332 VanDerWaalsContact CG-O 3.32Å; P200-L332 WeakPolarHBondContact CG-O 3.18Å; R275-L332 CarbonylContact C-O 3.57Å; R275-L332 WeakPolarHBondContact CA-O 3.37Å; I276-L332 HydrophobicContact CB-CB 4.48Å; I276-L332 PolarHBondContact N-O 3.35Å; I276-L332 PolarHBondContact O-N 2.74Å; L328-L332 HydrophobicContact CD1-CD1 4.3Å; P329-L332 HydrophobicContact CB-CD2 4.46Å; P329-L332 HydrophobicContact CG-CD2 4.27Å
333Y97.4Very high92Very high52 Ų5284.1 Ų84.120%0.20447%0.473CS..EExtended strand (participates in β ladder)trans-103.5146.8177.9-63.9-90.5000110.9R275 D331 V337 Q339 P340R275-Y333 HydrophobicContact CB-CD1 4.4Å; R275-Y333 VanDerWaalsContact CD-CE1 3.49Å; R275-Y333 HydrophobicContact CG-CD1 4.11Å; R275-Y333 HydrophobicContact CG-CE1 4.06Å; R275-Y333 PolarHBondContact NH1-OH 3.34Å; R275-Y333 PolarHBondContact NH2-OH 3.27Å; D331-Y333 HydrophobicContact CB-CD2 4.1Å; D331-Y333 HydrophobicContact CB-CE2 3.34Å; D331-Y333 PolarHBondContact OD2-OH 3.12Å; Y333-V337 HydrophobicContact CD1-CG1 3.92Å; Y333-Q339 HydrophobicContact CD1-CG 4.13Å; Y333-Q339 HydrophobicContact CD2-CG 3.91Å; Y333-Q339 HydrophobicContact CE1-CG 4.43Å; Y333-Q339 HydrophobicContact CE2-CG 4.24Å; Y333-Q339 HydrophobicContact CG-CG 3.87Å; Y333-P340 HydrophobicContact CE1-CG 4.47Å; Y333-P340 VanDerWaalsContact OH-CD 3.31Å; Y333-P340 WeakPolarHBondContact OH-CD 3.42Å
334D97.4Very high92.8Very high21 Ų2187.2 Ų87.211%0.11249%0.488CS..PPolyproline II helixtrans-72.3152.2165.4-176.848.1000110.8P200 K272 W274 N336 V337P200-D334 HydrophobicContact CB-CB 3.91Å; K272-D334 WeakPolarHBondContact CE-OD2 3.34Å; K272-D334 IonicContact NZ-OD1 3.69Å; K272-D334 IonicContact NZ-OD2 2.89Å; K272-D334 PolarHBondContact NZ-OD2 3.1Å; W274-D334 HydrophobicContact CE3-CB 4.14Å; W274-D334 VanDerWaalsContact CZ3-OD2 3.24Å; W274-D334 WeakPolarHBondContact CZ3-OD2 3.34Å; W274-D334 VanDerWaalsContact O-CB 3.31Å; W274-D334 WeakPolarHBondContact O-CB 3.44Å; W274-D334 PolarHBondContact O-N 3.15Å; D334-N336 PolarHBondContact O-N 3.07Å; D334-N336 VanDerWaalsContact O-N 3.13Å; D334-V337 HydrophobicContact CB-CG2 3.92Å; D334-V337 WeakPolarHBondContact O-CB 3.43Å; D334-V337 PolarHBondContact O-N 2.88Å
335E96.2Very high93.5Very high161 Ų16186.5 Ų86.575%0.75248%0.483SS*.THydrogen-bonded Turntrans-57.4-35-171.1-67176.2-174.300113K112 V337K112-E335 WeakPolarHBondContact CD-O 3.17Å; K112-E335 WeakPolarHBondContact CE-O 3.48Å; K112-E335 PolarHBondContact NZ-O 2.92Å; E335-V337 VanDerWaalsContact C-N 3.31Å; E335-V337 PolarHBondContact O-N 2.64Å
336N96.3Very high94.5Very high73 Ų7382.3 Ų82.339%0.3947%0.472SS..THydrogen-bonded Turntrans-85.8-0.5-175.2-62-5000113.2T111 K112 W274 D334T111-N336 CarbonylContact C-O 3.59Å; T111-N336 WeakPolarHBondContact CA-O 3.31Å; T111-N336 VanDerWaalsContact CB-O 3.31Å; T111-N336 WeakPolarHBondContact CB-O 3.47Å; K112-N336 PolarHBondContact N-O 3.46Å; W274-N336 HydrophobicContact CZ3-CB 4.38Å; D334-N336 PolarHBondContact O-N 3.07Å; D334-N336 VanDerWaalsContact O-N 3.13Å
337V96.8Very high94.9Very high3 Ų381.8 Ų81.82%0.01847%0.468CS..BIsolated β-bridgetrans-87.7134.9-175.8177.20000110.9L109 K112 W274 Y333 D334 E335 Q339L109-V337 HydrophobicContact CD1-CG1 4.04Å; L109-V337 HydrophobicContact CD2-CG1 3.99Å; L109-V337 HydrophobicContact CD2-CG2 4.02Å; L109-V337 HydrophobicContact CG-CG1 4.16Å; K112-V337 WeakPolarHBondContact CE-O 3.38Å; W274-V337 HydrophobicContact CB-CG2 4.33Å; W274-V337 HydrophobicContact CD2-CG2 4.32Å; W274-V337 HydrophobicContact CE3-CG2 3.51Å; W274-V337 HydrophobicContact CZ3-CG2 4.14Å; Y333-V337 HydrophobicContact CD1-CG1 3.92Å; D334-V337 HydrophobicContact CB-CG2 3.92Å; D334-V337 WeakPolarHBondContact O-CB 3.43Å; D334-V337 PolarHBondContact O-N 2.88Å; E335-V337 VanDerWaalsContact C-N 3.31Å; E335-V337 PolarHBondContact O-N 2.64Å; V337-Q339 PolarHBondContact O-N 3.41Å
338C95.6Very high94.8Very high38 Ų3880.6 Ų80.626%0.25749%0.49SS..  trans-73.5115.4167.1-74.20000109.8W110 T111 K112 I345W110-C338 PolarHBondContact O-N 2.66Å; W110-C338 VanDerWaalsContact O-N 3.11Å; T111-C338 PolarHBondContact O-SG 3.1Å; K112-C338 WeakPolarHBondContact CA-SG 3.3Å; K112-C338 PolarHBondContact N-SG 3.29Å; K112-C338 VanDerWaalsContact N-SG 3.43Å; C338-I345 VanDerWaalsContact SG-CD1 3.57Å
339Q95.5Very high94.9Very high107 Ų10783.2 Ų83.250%0.551%0.507SS..  trans-71.7144.7178.8-65.1-1783.300110.8Y333 V337 G341 A342Y333-Q339 HydrophobicContact CD1-CG 4.13Å; Y333-Q339 HydrophobicContact CD2-CG 3.91Å; Y333-Q339 HydrophobicContact CE1-CG 4.43Å; Y333-Q339 HydrophobicContact CE2-CG 4.24Å; Y333-Q339 HydrophobicContact CG-CG 3.87Å; V337-Q339 PolarHBondContact O-N 3.41Å; Q339-G341 PolarHBondContact O-N 3.11Å; Q339-A342 HydrophobicContact CB-CB 4.39Å; Q339-A342 VanDerWaalsContact O-CB 3.28Å; Q339-A342 WeakPolarHBondContact O-CB 3.4Å; Q339-A342 PolarHBondContact O-N 3.18Å; Q339-A342 VanDerWaalsContact O-N 3.09Å
340P92.6Very high94.9Very high93 Ų9383.4 Ų83.460%0.60451%0.506SS*.THydrogen-bonded Turntrans-58.8122.6170-18.631.2000110Y333Y333-P340 HydrophobicContact CE1-CG 4.47Å; Y333-P340 VanDerWaalsContact OH-CD 3.31Å; Y333-P340 WeakPolarHBondContact OH-CD 3.42Å
341G93.1Very high94.9Very high87 Ų8782.5 Ų82.590%0.89751%0.509SS*.THydrogen-bonded Turntrans93-3.5-177.500000115.3Q339Q339-G341 PolarHBondContact O-N 3.11Å
342A94.2Very high94.8Very high52 Ų5285.4 Ų85.443%0.4353%0.528SS..PPolyproline II helixtrans-64.6153.7169.200000111.3Q339Q339-A342 HydrophobicContact CB-CB 4.39Å; Q339-A342 VanDerWaalsContact O-CB 3.28Å; Q339-A342 WeakPolarHBondContact O-CB 3.4Å; Q339-A342 PolarHBondContact O-N 3.18Å; Q339-A342 VanDerWaalsContact O-N 3.09Å
343P95.3Very high94.6Very high123 Ų12389 Ų8980%0.79955%0.552SS**PPolyproline II helixtrans-59.8153.2174.626.7-35.5000111.4I345P343-I345 PolarHBondContact O-N 3.37Å
344S94.5Very high94.4Very high110 Ų11091.5 Ų91.577%0.76958%0.575SS**PPolyproline II helixtrans-56.2136.1175.3-60.20000111T346S344-T346 PolarHBondContact O-N 3.35Å
345I94.8Very high94.2Very high71 Ų7196.5 Ų96.536%0.36461%0.608SS.*PPolyproline II helixtrans-59.8131178.1-54.5169.5000108.9T111 K112 C338 P343 F347T111-I345 WeakPolarHBondContact O-CD1 3.07Å; K112-I345 WeakPolarHBondContact O-CG2 3.22Å; C338-I345 VanDerWaalsContact SG-CD1 3.57Å; P343-I345 PolarHBondContact O-N 3.37Å; I345-F347 HydrophobicContact CG2-CD1 4.41Å; I345-F347 HydrophobicContact CG2-CD2 4.37Å; I345-F347 HydrophobicContact CG2-CE1 3.87Å; I345-F347 HydrophobicContact CG2-CE2 3.83Å; I345-F347 HydrophobicContact CG2-CZ 3.56Å
346T94.3Very high94.1Very high118 Ų11891.5 Ų91.572%0.72460%0.597SS**  trans-127.4119.1173.7-55.40000107.9S344 A348S344-T346 PolarHBondContact O-N 3.35Å; T346-A348 PolarHBondContact O-N 3.26Å
347F93.4Very high93.9Very high152 Ų15293.1 Ų93.167%0.66762%0.615SS**  trans-90.589.9172.4-55.2-76.5000107.4D113 I345D113-F347 WeakPolarHBondContact O-CZ 3.31Å; I345-F347 HydrophobicContact CG2-CD1 4.41Å; I345-F347 HydrophobicContact CG2-CD2 4.37Å; I345-F347 HydrophobicContact CG2-CE1 3.87Å; I345-F347 HydrophobicContact CG2-CE2 3.83Å; I345-F347 HydrophobicContact CG2-CZ 3.56Å
348A86.7Confident93.6Very high163 Ų163101.3 Ų101.3100%1.34767%0.669SS**  trans-87.90179.900000111.8T346T346-A348 PolarHBondContact O-N 3.26Å

Retrieved 348 of 348 residues in 2056.9 ms (Link to these results)