A0A087XVD9_POEFO Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XVD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 299 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.9Very low42.7Very low236 Ų236169.8 Ų169.8100%1.16379%0.786SS**  0126.20-73.6179.9154.900106.7
2H30.1Very low43.1Very low146 Ų146167.6 Ų167.668%0.67678%0.783SS**  cis-162.9123.613.9-132.4-90.9000104.7
3R45.3Very low43.3Very low240 Ų240168.8 Ų168.891%0.90678%0.778SS**  57.138.977.7-75.3-149.7-173.6-166.85.1117.3
4R47.4Very low43.6Very low232 Ų232162.6 Ų162.688%0.87576%0.763SS**  trans-158.4101.4156-65-168.1178165.2-1.5107.2
5S43.2Very low44Very low96 Ų96158.3 Ų158.367%0.67176%0.755SS**  -174.2138.959.4167.80000107.2I7S5-I7 PolarHBondContact O-N 3.12Å; S5-I7 VanDerWaalsContact O-N 3.12Å
6P44.6Very low44.3Very low100 Ų100154.9 Ų154.965%0.64975%0.753SS**  trans-73.2105.416330.8-24.8000106.4F8P6-F8 PolarHBondContact O-N 2.99Å
7I45Very low44.5Very low159 Ų159155.4 Ų155.482%0.81575%0.753SS**  trans-52.3113.6159.1-66.6169.4000105S5S5-I7 PolarHBondContact O-N 3.12Å; S5-I7 VanDerWaalsContact O-N 3.12Å
8F43.8Very low44.9Very low192 Ų192154.1 Ų154.184%0.84276%0.762SS**  trans-12.8126.8-178-77.2-95.5000115.8P6 N10P6-F8 PolarHBondContact O-N 2.99Å; F8-N10 VanDerWaalsContact C-N 3.27Å; F8-N10 PolarHBondContact O-N 3.42Å
9F43.7Very low45Very low163 Ų163152.1 Ų152.172%0.71575%0.751SS**  trans-50.589.3163.1-77.4-93.6000110.2Y11F9-Y11 HydrophobicContact CB-CE2 4.06Å; F9-Y11 PolarHBondContact O-N 3.35Å
10N45.1Very low45.5Very low96 Ų96152.3 Ų152.351%0.51376%0.761SS.*  trans-88.7103.1170.5-170.2-1.2000107.7F8 L12 Y13F8-N10 VanDerWaalsContact C-N 3.27Å; F8-N10 PolarHBondContact O-N 3.42Å; N10-L12 PolarHBondContact O-N 3.14Å; N10-L12 VanDerWaalsContact O-N 3.08Å; N10-L12 PolarHBondContact OD1-N 3.21Å; N10-Y13 PolarHBondContact O-N 3.39Å
11Y48.7Very low45.8Very low208 Ų208150.7 Ų150.782%0.81675%0.754SS**THydrogen-bonded Turntrans-68.81-178.9-66.5-84.2000114F9F9-Y11 HydrophobicContact CB-CE2 4.06Å; F9-Y11 PolarHBondContact O-N 3.35Å
12L47.9Very low46.7Very low143 Ų143147.1 Ų147.175%0.74974%0.738SS**THydrogen-bonded Turntrans-115.715.4-177.3-68.5166000113.5N10 S14N10-L12 PolarHBondContact O-N 3.14Å; N10-L12 VanDerWaalsContact O-N 3.08Å; N10-L12 PolarHBondContact OD1-N 3.21Å; L12-S14 PolarHBondContact O-N 3.21Å; L12-S14 VanDerWaalsContact O-N 3.1Å
13Y45.7Very low47.8Very low184 Ų184146.9 Ų146.972%0.72274%0.735SS**  trans-72.6104.2177.3-175-106.7000111.1N10 P15N10-Y13 PolarHBondContact O-N 3.39Å; Y13-P15 HydrophobicContact CD1-CG 4.25Å; Y13-P15 HydrophobicContact CE1-CB 4.21Å; Y13-P15 HydrophobicContact CE1-CG 3.87Å
14S46.7Very low47.8Very low81 Ų81141.2 Ų141.257%0.56673%0.73SS**  trans-101.8118.3167.7-177.40000109.1L12 S16L12-S14 PolarHBondContact O-N 3.21Å; L12-S14 VanDerWaalsContact O-N 3.1Å; S14-S16 PolarHBondContact O-N 3.49Å
15P49.4Very low47.9Very low99 Ų99135.7 Ų135.764%0.64373%0.725SS**THydrogen-bonded Turntrans-75.2-4.7-178.4-10.726000114.1Y13Y13-P15 HydrophobicContact CD1-CG 4.25Å; Y13-P15 HydrophobicContact CE1-CB 4.21Å; Y13-P15 HydrophobicContact CE1-CG 3.87Å
16S49.1Very low48.2Very low103 Ų103137 Ų13772%0.7273%0.729SS**THydrogen-bonded Turntrans-102.20.4-158.7-40.40000116.3S14S14-S16 PolarHBondContact O-N 3.49Å
17E48.6Very low48.7Very low164 Ų164137.4 Ų137.477%0.76673%0.734SS**  trans-126.1119.5177.4-78.5-172.9168.500111.1E19E17-E19 PolarHBondContact O-N 2.76Å
18S50.5Low49.3Very low131 Ų131137 Ų13792%0.91673%0.732SS**  trans-74.739.2-173.250.60000114.6
19E47.3Very low50Low117 Ų117132.2 Ų132.255%0.54772%0.72SS.*  trans-117.2113.9170.1-76.7-171.1156.200110.7E17 I21 K23E17-E19 PolarHBondContact O-N 2.76Å; E19-I21 PolarHBondContact O-N 3.08Å; E19-K23 IonicContact OE2-NZ 2.89Å; E19-K23 PolarHBondContact OE2-NZ 3.1Å
20V54.3Low50.8Low156 Ų156130 Ų13095%0.94573%0.725SS**  trans-75.453.4171.7-167.60000109.7
21I52.2Low51.9Low119 Ų119132.7 Ų132.761%0.6174%0.739SS**  trans-134.3112.7175.6-52.9178.7000107.6E19 K23E19-I21 PolarHBondContact O-N 3.08Å; I21-K23 PolarHBondContact O-N 3.48Å
22L51.6Low52.7Low161 Ų161128.8 Ų128.884%0.84374%0.737SS**  trans-61.599.8168.7-71.7165.9000108.1P24L22-P24 WeakPolarHBondContact O-CD 3.42Å
23K52.9Low53.5Low140 Ų140128.3 Ų128.361%0.60973%0.729SS**  trans-76.7120.2168.2-76.7173.8-176.6151.30107.7E19 I21 C25E19-K23 IonicContact OE2-NZ 2.89Å; E19-K23 PolarHBondContact OE2-NZ 3.1Å; I21-K23 PolarHBondContact O-N 3.48Å; K23-C25 PolarHBondContact O-N 2.96Å
24P47Very low54.6Low122 Ų122128.7 Ų128.779%0.79273%0.729SS**  trans-67.599.6174.725.3-30.3000109L22 V26L22-P24 WeakPolarHBondContact O-CD 3.42Å; P24-V26 PolarHBondContact O-N 3.28Å
25C48.7Very low55.7Low116 Ų116129.6 Ų129.678%0.78473%0.727SS**  trans-80.1112166.7-104.10000108.2K23K23-C25 PolarHBondContact O-N 2.96Å
26V50.3Low56.5Low124 Ų124131.4 Ų131.475%0.75273%0.725SS**  trans-94.692.9169.5-161.10000106.6P24 I28P24-V26 PolarHBondContact O-N 3.28Å; V26-I28 HydrophobicContact CG1-CG1 4.37Å; V26-I28 PolarHBondContact O-N 2.85Å
27S55.3Low57.2Low108 Ų108133.3 Ų133.376%0.75572%0.721SS**  trans-72.9108.6162.761.40000106.5P29S27-P29 WeakPolarHBondContact O-CD 3.32Å
28I55.9Low58Low149 Ų149126.6 Ų126.676%0.76469%0.691SS**  trans-76.4109.5169.6-57.8173.2000105.5V26 S30V26-I28 HydrophobicContact CG1-CG1 4.37Å; V26-I28 PolarHBondContact O-N 2.85Å; I28-S30 PolarHBondContact O-N 3.46Å
29P58.5Low58.7Low92 Ų92126.4 Ų126.460%0.59768%0.676SS**  trans-61.9124.7173.826.6-32.1000108S27 L31S27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-L31 HydrophobicContact CB-CD1 4.35Å; P29-L31 HydrophobicContact CB-CG 4.25Å; P29-L31 HydrophobicContact CG-CD1 4.46Å; P29-L31 PolarHBondContact O-N 2.91Å
30S60.3Low59.6Low117 Ų117123.9 Ų123.982%0.81866%0.664SS**  trans-75.566.6175.2177.80000109.9I28I28-S30 PolarHBondContact O-N 3.46Å
31L69.7Low60Low152 Ų152117.8 Ų117.880%0.79663%0.627SS**  trans-85.9112.4170.8-67.9169.9000108.1P29P29-L31 HydrophobicContact CB-CD1 4.35Å; P29-L31 HydrophobicContact CB-CG 4.25Å; P29-L31 HydrophobicContact CG-CD1 4.46Å; P29-L31 PolarHBondContact O-N 2.91Å
32T64.1Low60.5Low127 Ų127117 Ų11778%0.77962%0.623SS**PPolyproline II helixtrans-79.1121.8167.746.40000108.1W34T32-W34 PolarHBondContact O-N 3.15Å
33K64.9Low60.8Low133 Ų133111.1 Ų111.158%0.57860%0.596SS**PPolyproline II helixtrans-68.1132.7171.1-165.2171-175.6-167.10107.4T38K33-T38 HydrophobicContact CD-CG2 3.35Å; K33-T38 HydrophobicContact CG-CG2 3.94Å
34W69.9Low61.2Low191 Ų191108.1 Ų108.172%0.72359%0.59SS**PPolyproline II helixtrans-80.1129.5178.7-135.915.3000109.5T32 F36 F37T32-W34 PolarHBondContact O-N 3.15Å; W34-F36 PolarHBondContact O-N 3.4Å; W34-F36 VanDerWaalsContact O-N 3.08Å; W34-F37 HydrophobicContact CB-CD2 4.09Å; W34-F37 HydrophobicContact CB-CE2 4.49Å; W34-F37 HydrophobicContact CE3-CE2 4.19Å; W34-F37 PolarHBondContact O-N 3.49Å
35D68.4Low62Low100 Ų100103 Ų10354%0.53556%0.559SS.*G310 helixtrans-57.9-29-173-61.8-31.7000112.8F37 T38 E39D35-F37 PolarHBondContact O-N 3.05Å; D35-F37 VanDerWaalsContact O-N 3.12Å; D35-T38 WeakPolarHBondContact CA-OG1 3.47Å; D35-T38 PolarHBondContact O-N 3.42Å; D35-T38 PolarHBondContact O-OG1 3.05Å; D35-T38 VanDerWaalsContact O-OG1 3.12Å; D35-E39 HydrophobicContact CB-CG 4.19Å; D35-E39 PolarHBondContact O-N 3.27Å
36F66.9Low62.6Low137 Ų137101.7 Ų101.760%0.60155%0.549SS*.G310 helixtrans-49.2-37.4172.5180-99000113.6W34W34-F36 PolarHBondContact O-N 3.4Å; W34-F36 VanDerWaalsContact O-N 3.08Å
37F64.8Low62.8Low144 Ų14498 Ų9863%0.63253%0.528SS*.G310 helixtrans-90.6-0.4-178.6-63.7-70.4000114W34 D35W34-F37 HydrophobicContact CB-CD2 4.09Å; W34-F37 HydrophobicContact CB-CE2 4.49Å; W34-F37 HydrophobicContact CE3-CE2 4.19Å; W34-F37 PolarHBondContact O-N 3.49Å; D35-F37 PolarHBondContact O-N 3.05Å; D35-F37 VanDerWaalsContact O-N 3.12Å
38T65.6Low62.8Low22 Ų22102 Ų10214%0.13553%0.528CS..THydrogen-bonded Turntrans-122.6-32.8-176.841.90000115.3K33 D35 N80 V81K33-T38 HydrophobicContact CD-CG2 3.35Å; K33-T38 HydrophobicContact CG-CG2 3.94Å; D35-T38 WeakPolarHBondContact CA-OG1 3.47Å; D35-T38 PolarHBondContact O-N 3.42Å; D35-T38 PolarHBondContact O-OG1 3.05Å; D35-T38 VanDerWaalsContact O-OG1 3.12Å; T38-N80 PolarHBondContact O-OD1 3.44Å; T38-V81 HydrophobicContact CG2-CB 4.34Å; T38-V81 HydrophobicContact CG2-CG2 4.16Å
39E64.6Low62.8Low127 Ų12798.1 Ų98.159%0.59351%0.509SS*.SBendtrans-83.1-20.7-177.5-67-16615300112.6D35 T41D35-E39 HydrophobicContact CB-CG 4.19Å; D35-E39 PolarHBondContact O-N 3.27Å; E39-T41 PolarHBondContact O-N 3.21Å; E39-T41 PolarHBondContact O-OG1 3.16Å
40E66.9Low62.6Low65 Ų65103.2 Ų103.230%0.30452%0.516SS..  trans-63.5112.6178.8-174.4173.5-11400110.5P46 Y48E40-P46 WeakPolarHBondContact OE1-CD 3.11Å; E40-Y48 PolarHBondContact OE2-OH 2.89Å; E40-Y48 VanDerWaalsContact OE2-OH 3.12Å
41T62.3Low62.3Low28 Ų28106.4 Ų106.417%0.17251%0.511CS..  trans-88.9129.9179.5-51.60000109.6E39 S43 T44 G45 S79E39-T41 PolarHBondContact O-N 3.21Å; E39-T41 PolarHBondContact O-OG1 3.16Å; T41-S43 VanDerWaalsContact CG2-OG 3.22Å; T41-S43 WeakPolarHBondContact CG2-OG 3.42Å; T41-S43 PolarHBondContact O-N 3.36Å; T41-T44 PolarHBondContact O-N 2.9Å; T41-T44 PolarHBondContact O-OG1 3.03Å; T41-G45 PolarHBondContact O-N 2.98Å; T41-S79 VanDerWaalsContact CA-O 3.25Å; T41-S79 WeakPolarHBondContact CA-O 3.44Å; T41-S79 WeakPolarHBondContact CG2-O 3.49Å
42L61.8Low61.6Low101 Ų101104.7 Ų104.753%0.52950%0.5SS..THydrogen-bonded Turntrans-54-21.7-177.9-70.3175000114.7Y78L42-Y78 WeakPolarHBondContact CD1-O 3.33Å
43S58.3Low60.8Low39 Ų39107.3 Ų107.327%0.27351%0.505SS..THydrogen-bonded Turntrans-76.3-31175.750.80000114T41 S69T41-S43 VanDerWaalsContact CG2-OG 3.22Å; T41-S43 WeakPolarHBondContact CG2-OG 3.42Å; T41-S43 PolarHBondContact O-N 3.36Å; S43-S69 PolarHBondContact O-OG 2.87Å
44T61.7Low59.8Low77 Ų77105.2 Ų105.247%0.47251%0.513SS..THydrogen-bonded Turntrans-116.7-12.2-173.556.20000113.8T41T41-T44 PolarHBondContact O-N 2.9Å; T41-T44 PolarHBondContact O-OG1 3.03Å
45G63.9Low58.5Low15 Ų15102 Ų10216%0.15551%0.514CS..SBendtrans-68.4158.8176.700000112.7T41T41-G45 PolarHBondContact O-N 2.98Å
46P61Low57.5Low87 Ų87109.2 Ų109.257%0.56553%0.533SS*.PPolyproline II helixtrans-51.8149.4175.7-19.931.6000111.1E40 Y48E40-P46 WeakPolarHBondContact OE1-CD 3.11Å; P46-Y48 PolarHBondContact O-N 2.93Å
47C54.6Low56.2Low46 Ų46108 Ų10831%0.31154%0.542SS..PPolyproline II helixtrans-64.4123.2164.753.50000109.2D49 M52 R71C47-D49 PolarHBondContact O-N 2.97Å; C47-M52 WeakPolarHBondContact SG-CE 3.2Å; C47-M52 PolarHBondContact SG-SD 3.12Å; C47-R71 VanDerWaalsContact CA-NH2 3.28Å
48Y55.7Low54.8Low192 Ų192110 Ų11075%0.75355%0.553SS**  trans-67.757162.7-67.8-86000109.9E40 P46E40-Y48 PolarHBondContact OE2-OH 2.89Å; E40-Y48 VanDerWaalsContact OE2-OH 3.12Å; P46-Y48 PolarHBondContact O-N 2.93Å
49D54.4Low53.6Low69 Ų69114 Ų11437%0.36958%0.583SS.*  trans-95.5105.7162.5-172.4-6.9000106.7C47 R51 M52C47-D49 PolarHBondContact O-N 2.97Å; D49-R51 PolarHBondContact O-N 3.23Å; D49-R51 VanDerWaalsContact OD1-CB 3.29Å; D49-R51 WeakPolarHBondContact OD1-CB 3.42Å; D49-R51 PolarHBondContact OD1-N 3.31Å; D49-M52 HydrophobicContact CB-CB 4.21Å; D49-M52 HydrophobicContact CB-CG 4Å; D49-M52 HydrophobicContact CB-SD 4.29Å; D49-M52 PolarHBondContact O-N 3.05Å
50W54.7Low52.1Low199 Ų199114.3 Ų114.375%0.75459%0.593SS**G310 helixtrans-58.8-16.7177.768.2-85.4000112.6
51R54.8Low51.1Low184 Ų184120 Ų12069%0.69462%0.62SS**G310 helixtrans-83.9-10.1175.8-60.3-179.5164.4174.2-5.5113.8D49D49-R51 PolarHBondContact O-N 3.23Å; D49-R51 VanDerWaalsContact OD1-CB 3.29Å; D49-R51 WeakPolarHBondContact OD1-CB 3.42Å; D49-R51 PolarHBondContact OD1-N 3.31Å
52M54.3Low49.8Very low116 Ų116127.1 Ų127.157%0.57165%0.651SS**G310 helixtrans-93.37.3-179.1-78.3-168.742.800114.8C47 D49 A54C47-M52 WeakPolarHBondContact SG-CE 3.2Å; C47-M52 PolarHBondContact SG-SD 3.12Å; D49-M52 HydrophobicContact CB-CB 4.21Å; D49-M52 HydrophobicContact CB-CG 4Å; D49-M52 HydrophobicContact CB-SD 4.29Å; D49-M52 PolarHBondContact O-N 3.05Å; M52-A54 PolarHBondContact O-N 2.99Å
53M46.4Very low48.9Very low182 Ų182126.6 Ų126.690%0.89766%0.661SS**  trans-65.89.6176.9-81.2-164.5-176.100115.4
54A44.1Very low47.9Very low88 Ų88131.7 Ų131.773%0.72769%0.685SS**  trans-131.150.7-175.800000113.5M52M52-A54 PolarHBondContact O-N 2.99Å
55V44Very low46.8Very low123 Ų123132.7 Ų132.775%0.74570%0.701SS**  trans-139.6102.5151.3-1720000108.6S57V55-S57 PolarHBondContact O-N 2.9Å
56R46.3Very low46.1Very low252 Ų252137.6 Ų137.695%0.95172%0.724SS**  trans-68.1107.5157.6-82.3-179174.9177.9-2.2106.4
57S39.2Very low45.3Very low112 Ų112137.7 Ų137.778%0.78373%0.732SS**  trans-86.6108.4160-92.50000107.7V55V55-S57 PolarHBondContact O-N 2.9Å
58E36.7Very low44.7Very low185 Ų185142.9 Ų142.986%0.86476%0.757SS**  trans-59.4144161.6-79.9174.7152.200109.9
59S39.4Very low44.5Very low108 Ų108136.6 Ų136.676%0.75574%0.741SS**  trans-24.2137.3175.452.30000117.3
60T33.1Very low44.5Very low132 Ų132143 Ų14381%0.8177%0.765SS**  -167.1138.9116.3-64.60000108.3E62T60-E62 PolarHBondContact O-N 2.92Å
61E45.5Very low44.7Very low185 Ų185139 Ų13986%0.86475%0.75SS**  trans-45.6119.6173.3-56.8172.8148.300111.7
62E35.1Very low44.7Very low178 Ų178141.2 Ų141.283%0.83276%0.759SS**  trans-150.1124151.2-74.1-155.2160.400109.7T60T60-E62 PolarHBondContact O-N 2.92Å
63A44.4Very low44.7Very low89 Ų89140.1 Ų140.174%0.73675%0.754SS**THydrogen-bonded Turntrans-52.2150.215900000109.6
64D37.5Very low45Very low147 Ų147137.4 Ų137.479%0.78675%0.748SS**THydrogen-bonded Turntrans84.127.4172.4-56-26000119.2N66D64-N66 PolarHBondContact O-N 2.87Å
65A38.6Very low45.3Very low97 Ų97141.4 Ų141.480%0.80274%0.744SS**THydrogen-bonded Turntrans-66.92.3158.700000114.1
66N47.8Very low45.7Very low118 Ų118140 Ų14063%0.63174%0.737SS**THydrogen-bonded Turntrans-94.32.6-171.7-99.727.5000115.8D64D64-N66 PolarHBondContact O-N 2.87Å
67A44.2Very low46Very low89 Ų89132 Ų13274%0.73672%0.719SS**SBendtrans-83.3-15.5-174.900000115.4
68N42.8Very low46.7Very low155 Ų155135 Ų13583%0.82971%0.714SS**SBendtrans-108.8-1.5-168.9-81.4-22.8000116.1K70N68-K70 PolarHBondContact O-N 3.46Å; N68-K70 VanDerWaalsContact O-N 3.11Å
69S50.8Low47.8Very low60 Ų60126.8 Ų126.842%0.4268%0.678SS.*  trans-80.195.7175.6-170.20000110.1S43 R71S43-S69 PolarHBondContact O-OG 2.87Å; S69-R71 PolarHBondContact O-N 3.44Å; S69-R71 WeakPolarHBondContact OG-CB 3.46Å; S69-R71 WeakPolarHBondContact OG-CD 3.46Å; S69-R71 WeakPolarHBondContact OG-CG 3.39Å
70K54.4Low48.8Very low203 Ų203123.1 Ų123.188%0.88365%0.649SS**  trans-66.912.5171.2-66.3-177.5-179.3177.70113.5N68 R72N68-K70 PolarHBondContact O-N 3.46Å; N68-K70 VanDerWaalsContact O-N 3.11Å; K70-R72 PolarHBondContact O-N 2.92Å
71R59.6Low50.3Low117 Ų117121 Ų12144%0.44264%0.636SS.*  trans-75.1115.8-175.9-66.9-179.4175.7-169.1-5.6109.2C47 S69C47-R71 VanDerWaalsContact CA-NH2 3.28Å; S69-R71 PolarHBondContact O-N 3.44Å; S69-R71 WeakPolarHBondContact OG-CB 3.46Å; S69-R71 WeakPolarHBondContact OG-CD 3.46Å; S69-R71 WeakPolarHBondContact OG-CG 3.39Å
72R55.1Low51.1Low230 Ų230117 Ų11787%0.86863%0.628SS**  trans-96.3133.3174-69-178.859.5165.8-1109.5K70 V74K70-R72 PolarHBondContact O-N 2.92Å; R72-V74 PolarHBondContact O-N 3.17Å
73I54.3Low52.1Low92 Ų92111.4 Ų111.447%0.47261%0.609SS.*  trans-64.9117.7174-62.5170.3000107.9W75I73-W75 VanDerWaalsContact CG2-O 3.26Å; I73-W75 WeakPolarHBondContact CG2-O 3.33Å
74V52.3Low53Low126 Ų126109 Ų10976%0.76459%0.59SS**SBendtrans-79.1-29.7179.4-174.60000110.9R72R72-V74 PolarHBondContact O-N 3.17Å
75W50Low54Low171 Ų171108.9 Ų108.965%0.64858%0.584SS**  trans-146.9126.3180-78.998.1000111.3I73 C77 Y78I73-W75 VanDerWaalsContact CG2-O 3.26Å; I73-W75 WeakPolarHBondContact CG2-O 3.33Å; W75-C77 PolarHBondContact O-N 2.99Å; W75-C77 VanDerWaalsContact O-N 3.1Å; W75-Y78 HydrophobicContact CB-CD2 3.74Å; W75-Y78 HydrophobicContact CB-CE2 4.24Å; W75-Y78 PolarHBondContact O-N 3.28Å
76P52.7Low55.2Low94 Ų94107 Ų10761%0.6156%0.564SS**G310 helixtrans-61.7-20.3-176.3-21.230.8000114.7Y78 S79P76-Y78 VanDerWaalsContact C-N 3.32Å; P76-Y78 PolarHBondContact O-N 3.39Å; P76-S79 PolarHBondContact O-OG 2.89Å
77C52.7Low56.3Low84 Ų84105 Ų10557%0.56855%0.553SS**G310 helixtrans-82.3-8.9-171.7-40.80000113.7W75W75-C77 PolarHBondContact O-N 2.99Å; W75-C77 VanDerWaalsContact O-N 3.1Å
78Y54.3Low57.4Low174 Ų174101 Ų10168%0.68252%0.52SS*.G310 helixtrans-116.41.9-174.2-64.3-77.2000113.4L42 W75 P76L42-Y78 WeakPolarHBondContact CD1-O 3.33Å; W75-Y78 HydrophobicContact CB-CD2 3.74Å; W75-Y78 HydrophobicContact CB-CE2 4.24Å; W75-Y78 PolarHBondContact O-N 3.28Å; P76-Y78 VanDerWaalsContact C-N 3.32Å; P76-Y78 PolarHBondContact O-N 3.39Å
79S59.3Low58.9Low14 Ų1499.2 Ų99.210%0.09851%0.509CS..SBendtrans-78-48.3-176.553.20000112.3T41 P76T41-S79 VanDerWaalsContact CA-O 3.25Å; T41-S79 WeakPolarHBondContact CA-O 3.44Å; T41-S79 WeakPolarHBondContact CG2-O 3.49Å; P76-S79 PolarHBondContact O-OG 2.89Å
80N61.2Low60Low30 Ų3099.4 Ų99.416%0.1651%0.508CS..  trans-151132.9178.8-178.5-16.6000108.6T38 S82 S83 A84T38-N80 PolarHBondContact O-OD1 3.44Å; N80-S82 VanDerWaalsContact CG-OG 3.23Å; N80-S82 PolarHBondContact ND2-OG 3.24Å; N80-S82 PolarHBondContact O-N 2.81Å; N80-S82 PolarHBondContact OD1-N 3.46Å; N80-S82 PolarHBondContact OD1-OG 3.43Å; N80-S83 WeakPolarHBondContact CB-OG 3.5Å; N80-S83 CarbonylContact O-C 3.53Å; N80-S83 PolarHBondContact O-N 3.31Å; N80-S83 PolarHBondContact O-OG 3.43Å; N80-S83 VanDerWaalsContact O-OG 3.11Å; N80-A84 PolarHBondContact O-N 2.9Å
81V63Low61.1Low88 Ų8892.4 Ų92.453%0.53348%0.478SS..SBendtrans-64.6-32.5-179.4-179.20000111T38 S83 A84T38-V81 HydrophobicContact CG2-CB 4.34Å; T38-V81 HydrophobicContact CG2-CG2 4.16Å; V81-S83 VanDerWaalsContact C-N 3.34Å; V81-A84 WeakPolarHBondContact O-CB 3.18Å; V81-A84 PolarHBondContact O-N 3.44Å
82S62.2Low62Low100 Ų10089.8 Ų89.870%0.69947%0.472SS*.THydrogen-bonded Turntrans-74.5-24.1176.967.20000113.3N80N80-S82 VanDerWaalsContact CG-OG 3.23Å; N80-S82 PolarHBondContact ND2-OG 3.24Å; N80-S82 PolarHBondContact O-N 2.81Å; N80-S82 PolarHBondContact OD1-N 3.46Å; N80-S82 PolarHBondContact OD1-OG 3.43Å
83S57.5Low63.3Low61 Ų6184 Ų8443%0.42746%0.458SS..THydrogen-bonded Turntrans-93.6-2.1173.876.10000113.1N80 V81 Q85N80-S83 WeakPolarHBondContact CB-OG 3.5Å; N80-S83 CarbonylContact O-C 3.53Å; N80-S83 PolarHBondContact O-N 3.31Å; N80-S83 PolarHBondContact O-OG 3.43Å; N80-S83 VanDerWaalsContact O-OG 3.11Å; V81-S83 VanDerWaalsContact C-N 3.34Å; S83-Q85 PolarHBondContact O-N 3.37Å
84A62.3Low64.6Low40 Ų4083.4 Ų83.433%0.33146%0.459SS..SBendtrans-65.3124179.200000108.7N80 V81N80-A84 PolarHBondContact O-N 2.9Å; V81-A84 WeakPolarHBondContact O-CB 3.18Å; V81-A84 PolarHBondContact O-N 3.44Å
85Q59.1Low66Low144 Ų14479.7 Ų79.767%0.67344%0.435SS*.PPolyproline II helixtrans-59.2132.9175.5-68.8-66.8-50.500108.8S83 D87S83-Q85 PolarHBondContact O-N 3.37Å; Q85-D87 PolarHBondContact O-N 2.91Å
86P62.9Low67.7Low57 Ų5775.5 Ų75.537%0.3742%0.424SS..PPolyproline II helixtrans-56.7141.9177.923.1-31.9000109.2T90 K91 F186P86-T90 HydrophobicContact CB-CG2 4Å; P86-K91 HydrophobicContact CG-CB 4.3Å; P86-F186 VanDerWaalsContact O-CE1 3.24Å; P86-F186 WeakPolarHBondContact O-CE1 3.26Å
87D70.8Confident69.1Low76 Ų7677.5 Ų77.541%0.40643%0.425SS..PPolyproline II helixtrans-60.3160176.872.185.8000110.6Q85 I89 T90 K91Q85-D87 PolarHBondContact O-N 2.91Å; D87-I89 PolarHBondContact O-N 2.84Å; D87-I89 VanDerWaalsContact O-N 3.07Å; D87-I89 WeakPolarHBondContact OD1-CA 3.36Å; D87-I89 VanDerWaalsContact OD1-CB 3.27Å; D87-I89 WeakPolarHBondContact OD1-CB 3.43Å; D87-I89 PolarHBondContact OD1-N 3.24Å; D87-T90 PolarHBondContact O-N 2.84Å; D87-T90 VanDerWaalsContact O-N 3.09Å; D87-T90 PolarHBondContact OD1-N 2.99Å; D87-T90 VanDerWaalsContact OD1-N 3.1Å; D87-T90 WeakPolarHBondContact OD2-CB 3.39Å; D87-T90 PolarHBondContact OD2-OG1 2.95Å; D87-K91 PolarHBondContact O-N 3.29Å
88A68.1Low70.7Confident5 Ų579.2 Ų79.24%0.04142%0.42CS..Hα-helixtrans-55.4-32.1-173.600000114L92 Y183 F186A88-L92 WeakPolarHBondContact O-CB 3.43Å; A88-L92 WeakPolarHBondContact O-CD1 3.44Å; A88-L92 WeakPolarHBondContact O-CG 3.35Å; A88-L92 PolarHBondContact O-N 3.2Å; A88-Y183 HydrophobicContact CB-CE2 4.35Å; A88-F186 HydrophobicContact CB-CD2 3.9Å; A88-F186 HydrophobicContact CB-CE2 3.38Å; A88-F186 HydrophobicContact CB-CZ 4.1Å
89I73.9Confident72.1Confident118 Ų11875.1 Ų75.161%0.60541%0.409SS*.Hα-helixtrans-74.8-49.4179.8-57.1173.2000109D87 K91 L92 L93D87-I89 PolarHBondContact O-N 2.84Å; D87-I89 VanDerWaalsContact O-N 3.07Å; D87-I89 WeakPolarHBondContact OD1-CA 3.36Å; D87-I89 VanDerWaalsContact OD1-CB 3.27Å; D87-I89 WeakPolarHBondContact OD1-CB 3.43Å; D87-I89 PolarHBondContact OD1-N 3.24Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 2.98Å; I89-L92 PolarHBondContact O-N 3.28Å; I89-L93 HydrophobicContact CG2-CD1 4Å; I89-L93 HydrophobicContact CG2-CG 4.42Å; I89-L93 WeakPolarHBondContact O-CG 3.27Å; I89-L93 PolarHBondContact O-N 2.94Å
90T74.3Confident73.3Confident64 Ų6476.5 Ų76.539%0.39341%0.414SS..Hα-helixtrans-57.4-46178.8-60.50000111.4P86 D87 L92 L93 T94P86-T90 HydrophobicContact CB-CG2 4Å; D87-T90 PolarHBondContact O-N 2.84Å; D87-T90 VanDerWaalsContact O-N 3.09Å; D87-T90 PolarHBondContact OD1-N 2.99Å; D87-T90 VanDerWaalsContact OD1-N 3.1Å; D87-T90 WeakPolarHBondContact OD2-CB 3.39Å; D87-T90 PolarHBondContact OD2-OG1 2.95Å; T90-L92 PolarHBondContact O-N 3.48Å; T90-L93 PolarHBondContact O-N 2.79Å; T90-T94 PolarHBondContact O-N 3.33Å; T90-T94 VanDerWaalsContact O-N 3.08Å; T90-T94 PolarHBondContact O-OG1 3.5Å
91K77.9Confident74.3Confident56 Ų5677.4 Ų77.424%0.24343%0.43CS..Hα-helixtrans-59.6-46.8177.6-173.8177.3-172.1174.20112.6P86 D87 I89 L93 T94 D95 F186P86-K91 HydrophobicContact CG-CB 4.3Å; D87-K91 PolarHBondContact O-N 3.29Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 2.98Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.36Å; K91-T94 PolarHBondContact O-N 2.98Å; K91-D95 PolarHBondContact O-N 3.4Å; K91-F186 HydrophobicContact CB-CZ 3.95Å; K91-F186 HydrophobicContact CD-CE1 4.02Å; K91-F186 HydrophobicContact CD-CE2 4.36Å; K91-F186 HydrophobicContact CD-CZ 3.49Å; K91-F186 VanDerWaalsContact CD-CZ 3.49Å; K91-F186 HydrophobicContact CG-CZ 4.35Å
92L78.8Confident75.6Confident61 Ų6179 Ų7932%0.31943%0.432SS..Hα-helixtrans-65.2-37.9-179.6-76.3170.2000112.2A88 I89 T90 D95 I96 L182A88-L92 WeakPolarHBondContact O-CB 3.43Å; A88-L92 WeakPolarHBondContact O-CD1 3.44Å; A88-L92 WeakPolarHBondContact O-CG 3.35Å; A88-L92 PolarHBondContact O-N 3.2Å; I89-L92 PolarHBondContact O-N 3.28Å; T90-L92 PolarHBondContact O-N 3.48Å; L92-D95 PolarHBondContact O-N 2.88Å; L92-I96 WeakPolarHBondContact O-CB 3.45Å; L92-I96 WeakPolarHBondContact O-CD1 3.41Å; L92-I96 WeakPolarHBondContact O-CG1 3.29Å; L92-I96 PolarHBondContact O-N 3.35Å; L92-L182 HydrophobicContact CD1-CD2 3.47Å; L92-L182 VanDerWaalsContact CD1-CD2 3.47Å
93L81.4Confident76.7Confident108 Ų10879.5 Ų79.557%0.56543%0.426SS*.Hα-helixtrans-63.5-42.4175.5-70.1172.3000111.4I89 T90 K91 I96 E97I89-L93 HydrophobicContact CG2-CD1 4Å; I89-L93 HydrophobicContact CG2-CG 4.42Å; I89-L93 WeakPolarHBondContact O-CG 3.27Å; I89-L93 PolarHBondContact O-N 2.94Å; T90-L93 PolarHBondContact O-N 2.79Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.36Å; L93-I96 PolarHBondContact O-N 3.45Å; L93-E97 PolarHBondContact O-N 2.8Å
94T82.7Confident77.8Confident81 Ų8184.1 Ų84.150%0.49745%0.446SS..Hα-helixtrans-64.8-40174.5-49.40000112.2T90 K91 E97 R98T90-T94 PolarHBondContact O-N 3.33Å; T90-T94 VanDerWaalsContact O-N 3.08Å; T90-T94 PolarHBondContact O-OG1 3.5Å; K91-T94 PolarHBondContact O-N 2.98Å; T94-E97 PolarHBondContact O-N 2.98Å; T94-R98 WeakPolarHBondContact O-CB 3.24Å; T94-R98 PolarHBondContact O-N 2.84Å
95D82Confident78.3Confident48 Ų4887.9 Ų87.926%0.25746%0.457SS..Hα-helixtrans-66.7-38.9176.4-82.2-28.7000112K91 L92 R98 L99K91-D95 PolarHBondContact O-N 3.4Å; L92-D95 PolarHBondContact O-N 2.88Å; D95-R98 PolarHBondContact O-N 2.69Å; D95-R98 IonicContact OD1-NE 2.71Å; D95-R98 IonicContact OD1-NH2 3.08Å; D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 WeakPolarHBondContact O-CG 3.46Å; D95-L99 PolarHBondContact O-N 3.35Å
96I84.1Confident78.9Confident82 Ų8283.7 Ų83.742%0.42145%0.453SS..Hα-helixtrans-61.2-49.9173.5-72.3163.3000109.7L92 L93 R98 L99 E100L92-I96 WeakPolarHBondContact O-CB 3.45Å; L92-I96 WeakPolarHBondContact O-CD1 3.41Å; L92-I96 WeakPolarHBondContact O-CG1 3.29Å; L92-I96 PolarHBondContact O-N 3.35Å; L93-I96 PolarHBondContact O-N 3.45Å; I96-R98 VanDerWaalsContact C-N 3.29Å; I96-R98 PolarHBondContact O-N 3.48Å; I96-L99 PolarHBondContact O-N 2.81Å; I96-L99 VanDerWaalsContact O-N 3.14Å; I96-E100 HydrophobicContact CG2-CG 4.14Å; I96-E100 WeakPolarHBondContact O-CB 3.43Å; I96-E100 VanDerWaalsContact O-CG 3.3Å; I96-E100 WeakPolarHBondContact O-CG 3.35Å; I96-E100 PolarHBondContact O-N 2.97Å
97E82.3Confident79Confident137 Ų13786.1 Ų86.164%0.6447%0.468SS*.Hα-helixtrans-58.7-41.3178.8-175.7176.9-164.900111.9L93 T94 G101L93-E97 PolarHBondContact O-N 2.8Å; T94-E97 PolarHBondContact O-N 2.98Å; E97-G101 PolarHBondContact O-N 2.72Å
98R86.6Confident78.8Confident119 Ų11989 Ų8945%0.44948%0.479SS..Hα-helixtrans-62.4-48174.3-176.7-176.663.177.54.9111.9T94 D95 I96 G101 E102T94-R98 WeakPolarHBondContact O-CB 3.24Å; T94-R98 PolarHBondContact O-N 2.84Å; D95-R98 PolarHBondContact O-N 2.69Å; D95-R98 IonicContact OD1-NE 2.71Å; D95-R98 IonicContact OD1-NH2 3.08Å; I96-R98 VanDerWaalsContact C-N 3.29Å; I96-R98 PolarHBondContact O-N 3.48Å; R98-G101 PolarHBondContact O-N 2.6Å; R98-E102 IonicContact CZ-OE1 3.2Å; R98-E102 VanDerWaalsContact NH1-CD 3.25Å; R98-E102 IonicContact NH1-OE1 2.67Å; R98-E102 PolarHBondContact NH1-OE1 2.95Å; R98-E102 IonicContact NH1-OE2 3.72Å; R98-E102 PolarHBondContact NH1-OE2 3.41Å; R98-E102 WeakPolarHBondContact O-CG 3.22Å; R98-E102 PolarHBondContact O-N 3.41Å
99L84.4Confident79Confident88 Ų8896.2 Ų96.246%0.46151%0.51SS..Hα-helixtrans-66.5-37.5-179.4-72.5169.8000112.1D95 I96 G101 E102 L103D95-L99 WeakPolarHBondContact O-CB 3.42Å; D95-L99 WeakPolarHBondContact O-CG 3.46Å; D95-L99 PolarHBondContact O-N 3.35Å; I96-L99 PolarHBondContact O-N 2.81Å; I96-L99 VanDerWaalsContact O-N 3.14Å; L99-G101 VanDerWaalsContact C-N 3.33Å; L99-E102 PolarHBondContact O-N 2.94Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 3.1Å
100E84.6Confident78.9Confident43 Ų4398.6 Ų98.620%0.20151%0.511CS..Hα-helixtrans-60.4-44.4172.4-75.2178.6159.400110.6I96 L103 N104 Q105I96-E100 HydrophobicContact CG2-CG 4.14Å; I96-E100 WeakPolarHBondContact O-CB 3.43Å; I96-E100 VanDerWaalsContact O-CG 3.3Å; I96-E100 WeakPolarHBondContact O-CG 3.35Å; I96-E100 PolarHBondContact O-N 2.97Å; E100-L103 CarbonylContact O-C 3.6Å; E100-L103 PolarHBondContact O-N 3.37Å; E100-N104 PolarHBondContact O-N 3.33Å; E100-N104 VanDerWaalsContact O-N 3.13Å; E100-Q105 CarbonylContact C-O 3.57Å; E100-Q105 PolarHBondContact O-N 3.29Å
101G82.6Confident78.4Confident49 Ų49101.6 Ų101.651%0.50552%0.521SS..Hα-helixtrans-60.5-44.5173.600000113.5E97 R98 L99 L103 N104E97-G101 PolarHBondContact O-N 2.72Å; R98-G101 PolarHBondContact O-N 2.6Å; L99-G101 VanDerWaalsContact C-N 3.33Å; G101-L103 VanDerWaalsContact C-N 3.27Å; G101-L103 PolarHBondContact O-N 2.94Å; G101-N104 PolarHBondContact O-N 3.02Å
102E88.8Confident78.2Confident122 Ų122102.4 Ų102.457%0.5753%0.531SS*.Hα-helixtrans-64.6-30.4176.2-74.7173.7-172.200112.9R98 L99 N104R98-E102 IonicContact CZ-OE1 3.2Å; R98-E102 VanDerWaalsContact NH1-CD 3.25Å; R98-E102 IonicContact NH1-OE1 2.67Å; R98-E102 PolarHBondContact NH1-OE1 2.95Å; R98-E102 IonicContact NH1-OE2 3.72Å; R98-E102 PolarHBondContact NH1-OE2 3.41Å; R98-E102 WeakPolarHBondContact O-CG 3.22Å; R98-E102 PolarHBondContact O-N 3.41Å; L99-E102 PolarHBondContact O-N 2.94Å; E102-N104 VanDerWaalsContact C-N 3.32Å
103L85.1Confident78Confident111 Ų111101.9 Ų101.958%0.58153%0.53SS*.THydrogen-bonded Turntrans-90.34.7178.4-159.760.2000112.7L99 E100 G101 Q105L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 PolarHBondContact O-N 3.1Å; E100-L103 CarbonylContact O-C 3.6Å; E100-L103 PolarHBondContact O-N 3.37Å; G101-L103 VanDerWaalsContact C-N 3.27Å; G101-L103 PolarHBondContact O-N 2.94Å; L103-Q105 HydrophobicContact CB-CG 4.13Å; L103-Q105 HydrophobicContact CD2-CG 4.06Å; L103-Q105 HydrophobicContact CG-CG 3.95Å; L103-Q105 PolarHBondContact O-N 2.95Å; L103-Q105 VanDerWaalsContact O-N 3.08Å
104N81.9Confident77.5Confident158 Ų15899.9 Ų99.985%0.84552%0.52SS*.THydrogen-bonded Turntrans51.426.3-172.5-78.772.9000113.3E100 G101 E102E100-N104 PolarHBondContact O-N 3.33Å; E100-N104 VanDerWaalsContact O-N 3.13Å; G101-N104 PolarHBondContact O-N 3.02Å; E102-N104 VanDerWaalsContact C-N 3.32Å
105Q72.3Confident77.1Confident118 Ų118100.5 Ų100.555%0.55152%0.517SS*.PPolyproline II helixtrans-88.7130.3174.3-65.6-168.6500108.5E100 L103E100-Q105 CarbonylContact C-O 3.57Å; E100-Q105 PolarHBondContact O-N 3.29Å; L103-Q105 HydrophobicContact CB-CG 4.13Å; L103-Q105 HydrophobicContact CD2-CG 4.06Å; L103-Q105 HydrophobicContact CG-CG 3.95Å; L103-Q105 PolarHBondContact O-N 2.95Å; L103-Q105 VanDerWaalsContact O-N 3.08Å
106G70.7Confident76.8Confident57 Ų57106.4 Ų106.459%0.58854%0.536SS*.PPolyproline II helixtrans-70.3154.7170.900000110.3E108G106-E108 PolarHBondContact O-N 3.03Å
107P65.7Low76.3Confident107 Ų107104.9 Ų104.970%0.69553%0.53SS*.PPolyproline II helixtrans-53.4131.7-179.922-33.2000110.2K109P107-K109 PolarHBondContact O-N 2.87Å
108E67.4Low75.8Confident137 Ų137104.8 Ų104.864%0.6452%0.524SS*.PPolyproline II helixtrans-56.9134.1-178.3-157.5-174.417100109.5G106 W110G106-E108 PolarHBondContact O-N 3.03Å; E108-W110 PolarHBondContact O-N 3.2Å
109K72.6Confident75.1Confident157 Ų157103.8 Ų103.868%0.68353%0.526SS*.  trans-73.472.6-179-65.6-176.8-176.3177.90109.9P107 Q111 T112 T113P107-K109 PolarHBondContact O-N 2.87Å; K109-Q111 PolarHBondContact O-N 3.12Å; K109-T112 HydrophobicContact CB-CG2 4.01Å; K109-T112 WeakPolarHBondContact CB-OG1 3.42Å; K109-T112 HydrophobicContact CD-CG2 4.34Å; K109-T112 PolarHBondContact O-N 3.12Å; K109-T112 PolarHBondContact O-OG1 2.74Å; K109-T113 PolarHBondContact O-N 2.95Å
110W70.7Confident74.5Confident167 Ų167102.3 Ų102.363%0.63352%0.524SS*.Hα-helixtrans-50.9-30.7-178.965.3-97.3000112.3E108 T112 T113 L114E108-W110 PolarHBondContact O-N 3.2Å; W110-T112 VanDerWaalsContact C-N 3.33Å; W110-T112 PolarHBondContact O-N 3.24Å; W110-T113 PolarHBondContact O-N 3.12Å; W110-L114 HydrophobicContact CE3-CD2 4.17Å; W110-L114 HydrophobicContact CZ3-CD2 3.83Å; W110-L114 WeakPolarHBondContact O-CB 2.8Å; W110-L114 PolarHBondContact O-N 2.89Å
111Q65.1Low73.9Confident127 Ų127102.7 Ų102.759%0.59353%0.527SS*.Hα-helixtrans-59.9-42.1174.6-65-177.6800112K109 E115K109-Q111 PolarHBondContact O-N 3.12Å; Q111-E115 VanDerWaalsContact O-CB 3.26Å; Q111-E115 WeakPolarHBondContact O-CB 3.19Å; Q111-E115 PolarHBondContact O-N 3.19Å
112T73.2Confident73.3Confident73 Ų73105.8 Ų105.845%0.44853%0.531SS..Hα-helixtrans-71.7-37.2179.261.90000112.1K109 W110 R116K109-T112 HydrophobicContact CB-CG2 4.01Å; K109-T112 WeakPolarHBondContact CB-OG1 3.42Å; K109-T112 HydrophobicContact CD-CG2 4.34Å; K109-T112 PolarHBondContact O-N 3.12Å; K109-T112 PolarHBondContact O-OG1 2.74Å; W110-T112 VanDerWaalsContact C-N 3.33Å; W110-T112 PolarHBondContact O-N 3.24Å; T112-R116 WeakPolarHBondContact O-CB 3.34Å; T112-R116 PolarHBondContact O-N 3.28Å
113T74.2Confident72.4Confident50 Ų50106.2 Ų106.231%0.30753%0.533SS..Hα-helixtrans-67.5-44.1174.4-540000110.7K109 W110 E115 R116 V117K109-T113 PolarHBondContact O-N 2.95Å; W110-T113 PolarHBondContact O-N 3.12Å; T113-E115 PolarHBondContact O-N 2.97Å; T113-R116 WeakPolarHBondContact O-CB 3.39Å; T113-R116 PolarHBondContact O-N 3.08Å; T113-V117 WeakPolarHBondContact O-CG2 3.25Å; T113-V117 PolarHBondContact O-N 3.38Å
114L71.3Confident71.7Confident67 Ų67104.8 Ų104.835%0.35153%0.526SS..Hα-helixtrans-62.9-42.1176.2-177.765.7000111.8W110 V117 R118W110-L114 HydrophobicContact CE3-CD2 4.17Å; W110-L114 HydrophobicContact CZ3-CD2 3.83Å; W110-L114 WeakPolarHBondContact O-CB 2.8Å; W110-L114 PolarHBondContact O-N 2.89Å; L114-V117 PolarHBondContact O-N 3.4Å; L114-R118 WeakPolarHBondContact O-CG 3.44Å; L114-R118 PolarHBondContact O-N 3.35Å
115E73.3Confident70.9Confident93 Ų93102.5 Ų102.544%0.43551%0.513SS..Hα-helixtrans-68.2-37.7178.6-156.361.1-159.100111.3Q111 T113 V117 R118 L119Q111-E115 VanDerWaalsContact O-CB 3.26Å; Q111-E115 WeakPolarHBondContact O-CB 3.19Å; Q111-E115 PolarHBondContact O-N 3.19Å; T113-E115 PolarHBondContact O-N 2.97Å; E115-V117 VanDerWaalsContact C-N 3.35Å; E115-V117 PolarHBondContact O-N 3.48Å; E115-R118 PolarHBondContact O-N 3.24Å; E115-R118 WeakPolarHBondContact OE2-CD 3.42Å; E115-R118 IonicContact OE2-CZ 3.98Å; E115-R118 IonicContact OE2-NH1 2.99Å; E115-R118 PolarHBondContact OE2-NH1 2.72Å; E115-L119 WeakPolarHBondContact O-CG 3.38Å; E115-L119 PolarHBondContact O-N 3.47Å
116R75.4Confident70.5Confident173 Ų173104.2 Ų104.265%0.65352%0.519SS*.Hα-helixtrans-61.4-42.7171.5-169.1-174-59.2151.74111.9T112 T113 L119 S120T112-R116 WeakPolarHBondContact O-CB 3.34Å; T112-R116 PolarHBondContact O-N 3.28Å; T113-R116 WeakPolarHBondContact O-CB 3.39Å; T113-R116 PolarHBondContact O-N 3.08Å; R116-L119 PolarHBondContact O-N 3.47Å; R116-S120 PolarHBondContact O-N 2.97Å
117V74Confident69.9Low49 Ų49107.6 Ų107.630%0.29752%0.519SS..Hα-helixtrans-65.3-42.2175.91700000110.8T113 L114 E115 L119 S120 I121T113-V117 WeakPolarHBondContact O-CG2 3.25Å; T113-V117 PolarHBondContact O-N 3.38Å; L114-V117 PolarHBondContact O-N 3.4Å; E115-V117 VanDerWaalsContact C-N 3.35Å; E115-V117 PolarHBondContact O-N 3.48Å; V117-L119 VanDerWaalsContact C-N 3.33Å; V117-L119 PolarHBondContact O-N 3.23Å; V117-S120 WeakPolarHBondContact O-CB 3.36Å; V117-S120 PolarHBondContact O-N 3.18Å; V117-I121 HydrophobicContact CG1-CD1 3.76Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 WeakPolarHBondContact O-CD1 3.47Å; V117-I121 WeakPolarHBondContact O-CG1 3.3Å; V117-I121 PolarHBondContact O-N 3.07Å
118R71.9Confident69.5Low136 Ų136108.2 Ų108.251%0.51351%0.513SS..Hα-helixtrans-59.6-42.6174.3-77.8175.1175.4162.8-2.9112.4L114 E115 I121 L122L114-R118 WeakPolarHBondContact O-CG 3.44Å; L114-R118 PolarHBondContact O-N 3.35Å; E115-R118 PolarHBondContact O-N 3.24Å; E115-R118 WeakPolarHBondContact OE2-CD 3.42Å; E115-R118 IonicContact OE2-CZ 3.98Å; E115-R118 IonicContact OE2-NH1 2.99Å; E115-R118 PolarHBondContact OE2-NH1 2.72Å; R118-I121 PolarHBondContact O-N 3.45Å; R118-L122 WeakPolarHBondContact O-CB 3.21Å; R118-L122 PolarHBondContact O-N 2.94Å
119L72.3Confident68.9Low97 Ų97103.3 Ų103.351%0.50850%0.499SS..Hα-helixtrans-63.7-44.1175.4-71171.3000111.3E115 R116 V117 I121 L122 E123E115-L119 WeakPolarHBondContact O-CG 3.38Å; E115-L119 PolarHBondContact O-N 3.47Å; R116-L119 PolarHBondContact O-N 3.47Å; V117-L119 VanDerWaalsContact C-N 3.33Å; V117-L119 PolarHBondContact O-N 3.23Å; L119-I121 VanDerWaalsContact C-N 3.34Å; L119-I121 PolarHBondContact O-N 3.24Å; L119-L122 WeakPolarHBondContact O-CB 3.38Å; L119-L122 PolarHBondContact O-N 3.09Å; L119-L122 VanDerWaalsContact O-N 3.17Å; L119-E123 WeakPolarHBondContact O-CG 3.4Å; L119-E123 PolarHBondContact O-N 3.08Å
120S71.8Confident67.9Low57 Ų57100.3 Ų100.340%0.39949%0.49SS..Hα-helixtrans-59-43.9175-172.70000112R116 V117 L122 E123 D124R116-S120 PolarHBondContact O-N 2.97Å; V117-S120 WeakPolarHBondContact O-CB 3.36Å; V117-S120 PolarHBondContact O-N 3.18Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.04Å; S120-E123 PolarHBondContact O-N 3.39Å; S120-D124 VanDerWaalsContact O-CG 3.32Å; S120-D124 PolarHBondContact O-N 3.32Å
121I71Confident67Low52 Ų5297.9 Ų97.927%0.26749%0.489SS..Hα-helixtrans-62.9-40.9177.1-66.1160.6000110.8V117 R118 L119 E123 D124 L125 M155V117-I121 HydrophobicContact CG1-CD1 3.76Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 WeakPolarHBondContact O-CD1 3.47Å; V117-I121 WeakPolarHBondContact O-CG1 3.3Å; V117-I121 PolarHBondContact O-N 3.07Å; R118-I121 PolarHBondContact O-N 3.45Å; L119-I121 VanDerWaalsContact C-N 3.34Å; L119-I121 PolarHBondContact O-N 3.24Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-D124 PolarHBondContact O-N 3.45Å; I121-L125 HydrophobicContact CG2-CD1 4.33Å; I121-L125 PolarHBondContact O-N 3.29Å; I121-M155 HydrophobicContact CD1-CE 3.28Å; I121-M155 HydrophobicContact CD1-SD 4.39Å; I121-M155 HydrophobicContact CG1-CE 3.48Å; I121-M155 VanDerWaalsContact CG1-CE 3.48Å; I121-M155 HydrophobicContact CG1-SD 3.96Å
122L69.9Low66Low113 Ų113101.7 Ų101.759%0.59250%0.498SS*.Hα-helixtrans-67.2-37.1178.8-172.765.9000111.5R118 L119 S120 K126R118-L122 WeakPolarHBondContact O-CB 3.21Å; R118-L122 PolarHBondContact O-N 2.94Å; L119-L122 WeakPolarHBondContact O-CB 3.38Å; L119-L122 PolarHBondContact O-N 3.09Å; L119-L122 VanDerWaalsContact O-N 3.17Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.04Å; L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 PolarHBondContact O-N 3.39Å
123E71.6Confident64.7Low131 Ų131105.5 Ų105.561%0.61251%0.509SS*.Hα-helixtrans-67.1-43.4174.6-74.7-176.6152.200112.2L119 S120 I121 K126 Q127L119-E123 WeakPolarHBondContact O-CG 3.4Å; L119-E123 PolarHBondContact O-N 3.08Å; S120-E123 PolarHBondContact O-N 3.39Å; I121-E123 VanDerWaalsContact C-N 3.34Å; E123-K126 WeakPolarHBondContact O-CB 3.3Å; E123-K126 PolarHBondContact O-N 2.98Å; E123-K126 VanDerWaalsContact O-N 3.12Å; E123-Q127 PolarHBondContact O-N 3.48Å
124D69.4Low63.3Low81 Ų81110.3 Ų110.343%0.43353%0.527SS..Hα-helixtrans-60.9-45.9175.2-72-18.1000111.1S120 I121 K126 Q127 E128S120-D124 VanDerWaalsContact O-CG 3.32Å; S120-D124 PolarHBondContact O-N 3.32Å; I121-D124 PolarHBondContact O-N 3.45Å; D124-K126 VanDerWaalsContact C-N 3.25Å; D124-K126 PolarHBondContact O-N 3.33Å; D124-Q127 PolarHBondContact O-N 2.83Å; D124-E128 PolarHBondContact O-N 3.05Å
125L64.3Low62Low111 Ų111111.4 Ų111.458%0.58154%0.541SS*.Hα-helixtrans-60.4-35.7174.5-11281.5000112.3I121 G129I121-L125 HydrophobicContact CG2-CD1 4.33Å; I121-L125 PolarHBondContact O-N 3.29Å; L125-G129 PolarHBondContact O-N 3.32Å
126K64.6Low60.7Low153 Ų153114.2 Ų114.267%0.66556%0.558SS**Hα-helixtrans-73.9-33.7180-161176-178.2-176.30111.6L122 E123 D124 G129 N130L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 PolarHBondContact O-N 3.39Å; E123-K126 WeakPolarHBondContact O-CB 3.3Å; E123-K126 PolarHBondContact O-N 2.98Å; E123-K126 VanDerWaalsContact O-N 3.12Å; D124-K126 VanDerWaalsContact C-N 3.25Å; D124-K126 PolarHBondContact O-N 3.33Å; K126-G129 PolarHBondContact O-N 3.23Å; K126-N130 PolarHBondContact O-N 3.35Å
127Q59.2Low59.3Low129 Ų129110.8 Ų110.860%0.60356%0.561SS**Hα-helixtrans-68.1-42.1171-86.5178.3-3.500112E123 D124 G129 N130 L131E123-Q127 PolarHBondContact O-N 3.48Å; D124-Q127 PolarHBondContact O-N 2.83Å; Q127-G129 VanDerWaalsContact C-N 3.3Å; Q127-G129 PolarHBondContact O-N 2.82Å; Q127-N130 PolarHBondContact O-N 2.9Å; Q127-N130 VanDerWaalsContact O-N 3.16Å; Q127-L131 PolarHBondContact O-N 3.05Å
128E56.2Low57.7Low120 Ų120116.2 Ų116.256%0.56159%0.587SS**Hα-helixtrans-60.3-39.6172.9-74-170.1161.100112.1D124 N130 L131 R132D124-E128 PolarHBondContact O-N 3.05Å; E128-N130 VanDerWaalsContact C-N 3.33Å; E128-N130 PolarHBondContact O-N 3.27Å; E128-L131 PolarHBondContact O-N 3.3Å; E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 VanDerWaalsContact O-N 3.15Å
129G55.3Low56Low34 Ų34116 Ų11635%0.35161%0.607SS.*Hα-helixtrans-64.4-30.8175.100000114.5L125 K126 Q127L125-G129 PolarHBondContact O-N 3.32Å; K126-G129 PolarHBondContact O-N 3.23Å; Q127-G129 VanDerWaalsContact C-N 3.3Å; Q127-G129 PolarHBondContact O-N 2.82Å
130N52.2Low54.2Low93 Ų93114.6 Ų114.650%0.49762%0.615SS.*Hα-helixtrans-80.1-35.7176.7-85.4-25.1000112.8K126 Q127 E128 R132 K133 Q134K126-N130 PolarHBondContact O-N 3.35Å; Q127-N130 PolarHBondContact O-N 2.9Å; Q127-N130 VanDerWaalsContact O-N 3.16Å; E128-N130 VanDerWaalsContact C-N 3.33Å; E128-N130 PolarHBondContact O-N 3.27Å; N130-R132 VanDerWaalsContact C-N 3.29Å; N130-R132 PolarHBondContact O-N 3.42Å; N130-K133 PolarHBondContact O-N 3.1Å; N130-Q134 PolarHBondContact O-N 2.88Å
131L50.3Low52.9Low116 Ų116120.3 Ų120.361%0.60764%0.64SS**Hα-helixtrans-63.2-37172.7-75159.4000111.5Q127 E128 K133 Q134 S135Q127-L131 PolarHBondContact O-N 3.05Å; E128-L131 PolarHBondContact O-N 3.3Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.84Å; L131-Q134 PolarHBondContact O-N 3.25Å; L131-S135 PolarHBondContact O-N 3.2Å; L131-S135 VanDerWaalsContact O-N 3.14Å
132R45.4Very low51.3Low207 Ų207124.7 Ų124.778%0.78166%0.663SS**Hα-helixtrans-67-27.7176-138.1179-174.1-167.51.8113.5E128 N130E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 VanDerWaalsContact O-N 3.15Å; N130-R132 VanDerWaalsContact C-N 3.29Å; N130-R132 PolarHBondContact O-N 3.42Å
133K45.4Very low49.9Very low154 Ų154125.2 Ų125.267%0.6767%0.673SS**Hα-helixtrans-79.1-27.9174.7-71.7179.7-178.2178.70113.1N130 L131N130-K133 PolarHBondContact O-N 3.1Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-K133 PolarHBondContact O-N 2.84Å
134Q44.1Very low48.5Very low150 Ų150124.4 Ų124.470%0.70168%0.677SS**Hα-helixtrans-77.1-24.9172.7-74.6-179-16.700112.9N130 L131 L136N130-Q134 PolarHBondContact O-N 2.88Å; L131-Q134 PolarHBondContact O-N 3.25Å; Q134-L136 VanDerWaalsContact C-N 3.29Å; Q134-L136 PolarHBondContact O-N 3.37Å
135S45.1Very low47Very low90 Ų90126.8 Ų126.863%0.62970%0.7SS**THydrogen-bonded Turntrans-73.4-10.2178.9-1770000115.1L131L131-S135 PolarHBondContact O-N 3.2Å; L131-S135 VanDerWaalsContact O-N 3.14Å
136L44.6Very low45.7Very low153 Ų153125.2 Ų125.280%0.80170%0.698SS**THydrogen-bonded Turntrans-91.72.3-179.7-69.4174.6000114.1Q134Q134-L136 VanDerWaalsContact C-N 3.29Å; Q134-L136 PolarHBondContact O-N 3.37Å
137S47Very low44.6Very low101 Ų101126.5 Ų126.571%0.70671%0.711SS**SBendtrans-106.913.3-177.9-63.20000115.3
138L39Very low43.7Very low163 Ų163128.4 Ų128.485%0.85372%0.72SS**  trans-133.590171.4-70.4171.2000110.6
139S36.7Very low42.8Very low132 Ų132127 Ų12792%0.92373%0.73SS**  trans-64130157.9-74.30000109.7
140G34.8Very low42.1Very low66 Ų66133.9 Ų133.968%0.6875%0.75SS**  trans15485.3166.600000115
141L45.1Very low41.3Very low178 Ų178138.2 Ų138.293%0.93277%0.768SS**  trans16.298.2152.3-59.5171.1000118.7
142I37.5Very low40.7Very low143 Ų143144.4 Ų144.473%0.73378%0.783SS**  trans-147.2130.2147.9-55-177000108.9T144I142-T144 HydrophobicContact CG2-CG2 4.44Å; I142-T144 PolarHBondContact O-N 3.29Å
143P40.9Very low40.4Very low124 Ų124145.3 Ų145.381%0.80579%0.786SS**  trans-81.6109.6174.131.4-28.4000109.8
144T40.7Very low40.2Very low114 Ų114143.1 Ų143.170%0.69979%0.79SS**  trans-97.6101172.761.20000110.2I142 S146I142-T144 HydrophobicContact CG2-CG2 4.44Å; I142-T144 PolarHBondContact O-N 3.29Å; T144-S146 PolarHBondContact O-N 3.37Å
145S39.3Very low39.9Very low131 Ų131141.7 Ų141.792%0.91679%0.785SS**  trans-75.458.6169.8580000111.5
146S36.1Very low39.5Very low79 Ų79143.9 Ų143.955%0.55279%0.789SS**  trans-147.469.5175.764.30000111.1T144 Q148T144-S146 PolarHBondContact O-N 3.37Å; S146-Q148 PolarHBondContact O-N 3.11Å
147L41.8Very low39.1Very low179 Ų179145.4 Ų145.494%0.93779%0.792SS**  trans-66.977.2149.3-82.1166.6000107.3A149L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 3.05Å
148Q40.2Very low38.8Very low169 Ų169147.1 Ų147.179%0.7979%0.792SS**  trans-64.6105.3157.8-76.4-173.2-33.500105.6S146 F150S146-Q148 PolarHBondContact O-N 3.11Å; Q148-F150 PolarHBondContact O-N 3.2Å
149A38.3Very low38.6Very low92 Ų92144.6 Ų144.676%0.7679%0.785SS**  trans-45.1113.5167.300000107.8L147 Q151L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 3.05Å; A149-Q151 PolarHBondContact O-N 3.4Å
150F39Very low38.6Very low178 Ų178145.6 Ų145.678%0.78178%0.78SS**  trans-47.3106173.2-77.2-99.3000108.2Q148 R152Q148-F150 PolarHBondContact O-N 3.2Å; F150-R152 VanDerWaalsContact C-N 3.28Å; F150-R152 PolarHBondContact O-N 2.87Å
151Q36.3Very low38.8Very low184 Ų184147.8 Ų147.886%0.8679%0.785SS**  trans-58.4101.4162.1-79.3-177.7-80.500105.6A149 R153A149-Q151 PolarHBondContact O-N 3.4Å; Q151-R153 PolarHBondContact O-N 3.5Å
152R38.1Very low38.7Very low245 Ų245142 Ų14293%0.92577%0.768SS**  trans-58.695.6163-74.4-171.9173.9-176.7-1.5106.6F150 S154F150-R152 VanDerWaalsContact C-N 3.28Å; F150-R152 PolarHBondContact O-N 2.87Å; R152-S154 PolarHBondContact O-N 2.86Å
153R38.2Very low38.8Very low227 Ų227143.4 Ų143.486%0.85778%0.776SS**  trans-59.2131.7167.9-75.5-177.5173.5-168.1-2.1107Q151 M155Q151-R153 PolarHBondContact O-N 3.5Å; R153-M155 PolarHBondContact O-N 3.01Å
154S40.4Very low38.6Very low107 Ų107141 Ų14175%0.74878%0.775SS**  trans-58.1124.2173.5-177.40000109.2R152 L156R152-S154 PolarHBondContact O-N 2.86Å; S154-L156 PolarHBondContact O-N 2.91Å
155M38.4Very low38.8Very low120 Ų120143.9 Ų143.959%0.59179%0.785SS**SBendtrans-79.532.9-171.7-61.7-141.1-58.600114.7I121 R153I121-M155 HydrophobicContact CD1-CE 3.28Å; I121-M155 HydrophobicContact CD1-SD 4.39Å; I121-M155 HydrophobicContact CG1-CE 3.48Å; I121-M155 VanDerWaalsContact CG1-CE 3.48Å; I121-M155 HydrophobicContact CG1-SD 3.96Å; R153-M155 PolarHBondContact O-N 3.01Å
156L37.2Very low38.5Very low136 Ų136144.7 Ų144.771%0.71278%0.78SS**  trans-124.190.2172.8-74.5168.5000107.6S154S154-L156 PolarHBondContact O-N 2.91Å
157H36.6Very low38.8Very low186 Ų186150.1 Ų150.186%0.86180%0.796SS**  trans-91.193.6166.7-154.7-90000107.1
158L39.2Very low38.4Very low137 Ų137146.1 Ų146.172%0.71778%0.783SS**  trans-71141.5163.6-9782.3000108.1D160L158-D160 PolarHBondContact O-N 3.13Å
159P36.4Very low38.1Very low109 Ų109144.6 Ų144.671%0.70879%0.785SS**  trans-60.3134.5172.425.2-30.9000109.6S161P159-S161 PolarHBondContact O-N 2.89Å
160D36.6Very low37.7Very low153 Ų153145.1 Ų145.182%0.81879%0.79SS**  trans-6792.5177.2-168.921.7000108.9L158 G162L158-D160 PolarHBondContact O-N 3.13Å; D160-G162 VanDerWaalsContact C-N 3.26Å; D160-G162 PolarHBondContact O-N 3.08Å
161S38.8Very low37.6Very low113 Ų113142.5 Ų142.579%0.7979%0.788SS**  trans-73.190.5165.5-67.70000107.1P159 L163P159-S161 PolarHBondContact O-N 2.89Å; S161-L163 PolarHBondContact O-N 2.97Å
162G42.6Very low37.6Very low55 Ų55138.6 Ų138.657%0.56779%0.788SS**  trans-57.1123.1-17300000113.1D160D160-G162 VanDerWaalsContact C-N 3.26Å; D160-G162 PolarHBondContact O-N 3.08Å
163L39.1Very low37.6Very low173 Ų173134 Ų13491%0.90678%0.781SS**  trans-150.6112.6150.1-75.6-176.5000108.8S161S161-L163 PolarHBondContact O-N 2.97Å
164G36.5Very low37.7Very low75 Ų75127.1 Ų127.177%0.77378%0.781SS**  trans85.5103.5151.500000116.5D166G164-D166 PolarHBondContact O-N 3.43Å
165D44.7Very low37.5Very low173 Ų173129.7 Ų129.793%0.92579%0.785SS**  trans-44.2121.7155.1-92.8-38.4000110.5
166D34.7Very low37.8Very low148 Ų148128.5 Ų128.579%0.79178%0.781SS**  trans-129.6104.6160-136.30.9000109.7G164 S168G164-D166 PolarHBondContact O-N 3.43Å; D166-S168 PolarHBondContact O-N 3.14Å
167H41.4Very low38.2Very low193 Ų193132.6 Ų132.689%0.89479%0.787SS**  trans-73.893.2178.4-13133.7000108.2
168S33.3Very low38.6Very low96 Ų96133.7 Ų133.767%0.67178%0.784SS**  trans-131.9113172.9-77.70000110.9D166 A170D166-S168 PolarHBondContact O-N 3.14Å; S168-A170 PolarHBondContact O-N 2.92Å
169T33.5Very low38.9Very low136 Ų136129.1 Ų129.183%0.83477%0.766SS**PPolyproline II helixtrans-49.9125.7-178.147.90000112.7T171T169-T171 PolarHBondContact O-N 2.95Å
170A31.6Very low39.5Very low104 Ų104126.6 Ų126.686%0.8675%0.754SS**PPolyproline II helixtrans-53.5127.8175.300000111.8S168S168-A170 PolarHBondContact O-N 2.92Å
171T36.2Very low40.4Very low122 Ų122123.6 Ų123.675%0.74874%0.742SS**PPolyproline II helixtrans-101.6139.7163.546.40000109.2T169 N173T169-T171 PolarHBondContact O-N 2.95Å; T171-N173 PolarHBondContact O-N 3.26Å
172A37Very low41.1Very low103 Ų103122.2 Ų122.285%0.85173%0.725SS**SBendtrans-71.88.4-158.800000117.1
173N36.2Very low41.3Very low147 Ų147126.8 Ų126.879%0.78673%0.726SS**  trans-117.782.8-178.8-71.2-15.7000110.2T171 I175T171-N173 PolarHBondContact O-N 3.26Å; N173-I175 PolarHBondContact O-N 3.34Å
174G40.8Very low41.9Very low83 Ų83121.2 Ų121.286%0.85670%0.697SS**  trans-69.849.8179.200000114.9
175I37.7Very low42.6Very low161 Ų161122 Ų12283%0.82668%0.681SS**  trans-104.385.2168-57.2174.5000108N173N173-I175 PolarHBondContact O-N 3.34Å
176N44.6Very low42.6Very low96 Ų96116.5 Ų116.551%0.51365%0.648SS.*  trans5873.5138.6-140-21.5000118.9R178 A179N176-R178 PolarHBondContact O-N 2.8Å; N176-R178 PolarHBondContact OD1-N 3.25Å; N176-A179 HydrophobicContact CB-CB 4.17Å; N176-A179 WeakPolarHBondContact ND2-CB 3.33Å; N176-A179 WeakPolarHBondContact OD1-CB 3.5Å; N176-A179 PolarHBondContact OD1-N 2.87Å
177R44.7Very low43.2Very low221 Ų221113.1 Ų113.183%0.83463%0.633SS**Hα-helixtrans-60.1-29.3159.8-81.4-173.9178.5175.8-1.7112.8T181R177-T181 PolarHBondContact O-N 3.42Å; R177-T181 PolarHBondContact O-OG1 3.04Å
178R45.8Very low43.4Very low210 Ų210109 Ų10979%0.79262%0.623SS**Hα-helixtrans-74.1-39-176.3-74.3-175-179.1113.3-0.6113.7N176 T181 L182N176-R178 PolarHBondContact O-N 2.8Å; N176-R178 PolarHBondContact OD1-N 3.25Å; R178-T181 WeakPolarHBondContact CA-OG1 3.41Å; R178-T181 PolarHBondContact O-N 3.31Å; R178-T181 PolarHBondContact O-OG1 2.93Å; R178-L182 WeakPolarHBondContact O-CG 3.48Å; R178-L182 PolarHBondContact O-N 3.3Å
179A44Very low44.2Very low41 Ų41111.5 Ų111.534%0.33962%0.622SS.*Hα-helixtrans-71.9-33.817700000112.4N176 T181 L182N176-A179 HydrophobicContact CB-CB 4.17Å; N176-A179 WeakPolarHBondContact ND2-CB 3.33Å; N176-A179 WeakPolarHBondContact OD1-CB 3.5Å; N176-A179 PolarHBondContact OD1-N 2.87Å; A179-T181 VanDerWaalsContact C-N 3.32Å; A179-T181 PolarHBondContact O-N 3.23Å; A179-L182 PolarHBondContact O-N 2.88Å
180A50.2Low45.1Very low56 Ų56106.8 Ų106.846%0.46359%0.592SS.*Hα-helixtrans-62.1-40174.300000111.6L182 N184A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.13Å; A180-N184 PolarHBondContact O-N 2.96Å; A180-N184 PolarHBondContact O-ND2 3.33Å; A180-N184 PolarHBondContact O-OD1 3.08Å
181T55.2Low46.1Very low90 Ų90108.6 Ų108.655%0.55258%0.583SS**Hα-helixtrans-65.4-29175.437.90000114.3R177 R178 A179R177-T181 PolarHBondContact O-N 3.42Å; R177-T181 PolarHBondContact O-OG1 3.04Å; R178-T181 WeakPolarHBondContact CA-OG1 3.41Å; R178-T181 PolarHBondContact O-N 3.31Å; R178-T181 PolarHBondContact O-OG1 2.93Å; A179-T181 VanDerWaalsContact C-N 3.32Å; A179-T181 PolarHBondContact O-N 3.23Å
182L53.7Low46.8Very low83 Ų83111.6 Ų111.644%0.43559%0.588SS.*Hα-helixtrans-72.1-37.5-179.1-65.5171000112.6L92 R178 A179 A180L92-L182 HydrophobicContact CD1-CD2 3.47Å; L92-L182 VanDerWaalsContact CD1-CD2 3.47Å; R178-L182 WeakPolarHBondContact O-CG 3.48Å; R178-L182 PolarHBondContact O-N 3.3Å; A179-L182 PolarHBondContact O-N 2.88Å; A180-L182 VanDerWaalsContact C-N 3.33Å; A180-L182 PolarHBondContact O-N 3.13Å
183Y47.1Very low47.6Very low151 Ų151108.3 Ų108.359%0.59256%0.556SS**Hα-helixtrans-84.5-13.6177.5-95.6-90.5000113.8A88 Q185 F186 T187A88-Y183 HydrophobicContact CB-CE2 4.35Å; Y183-Q185 PolarHBondContact O-N 3.36Å; Y183-Q185 VanDerWaalsContact O-N 3.13Å; Y183-F186 HydrophobicContact CD1-CB 4.46Å; Y183-F186 PolarHBondContact O-N 2.95Å; Y183-T187 PolarHBondContact O-N 3.48Å
184N51.6Low49.2Very low57 Ų57104.9 Ų104.931%0.30553%0.532SS..THydrogen-bonded Turntrans-61-21.6178.6-80.4-16.1000113.7A180 F186 T187A180-N184 PolarHBondContact O-N 2.96Å; A180-N184 PolarHBondContact O-ND2 3.33Å; A180-N184 PolarHBondContact O-OD1 3.08Å; N184-F186 VanDerWaalsContact C-N 3.34Å; N184-T187 VanDerWaalsContact C-OG1 3.31Å; N184-T187 VanDerWaalsContact CA-OG1 3.3Å; N184-T187 WeakPolarHBondContact CA-OG1 3.22Å; N184-T187 PolarHBondContact O-OG1 2.81Å
185Q51.3Low50.8Low91 Ų91103.6 Ų103.643%0.42551%0.511SS..THydrogen-bonded Turntrans-73.4-26.6172.8177.2175.129.400112.9Y183Y183-Q185 PolarHBondContact O-N 3.36Å; Y183-Q185 VanDerWaalsContact O-N 3.13Å
186F44.4Very low53.3Low57 Ų5798.4 Ų98.425%0.2548%0.481CS..THydrogen-bonded Turntrans-101.2-18.7-175.6-63.7-87.1000112.9P86 A88 K91 Y183 N184 P188P86-F186 VanDerWaalsContact O-CE1 3.24Å; P86-F186 WeakPolarHBondContact O-CE1 3.26Å; A88-F186 HydrophobicContact CB-CD2 3.9Å; A88-F186 HydrophobicContact CB-CE2 3.38Å; A88-F186 HydrophobicContact CB-CZ 4.1Å; K91-F186 HydrophobicContact CB-CZ 3.95Å; K91-F186 HydrophobicContact CD-CE1 4.02Å; K91-F186 HydrophobicContact CD-CE2 4.36Å; K91-F186 HydrophobicContact CD-CZ 3.49Å; K91-F186 VanDerWaalsContact CD-CZ 3.49Å; K91-F186 HydrophobicContact CG-CZ 4.35Å; Y183-F186 HydrophobicContact CD1-CB 4.46Å; Y183-F186 PolarHBondContact O-N 2.95Å; N184-F186 VanDerWaalsContact C-N 3.34Å; F186-P188 WeakPolarHBondContact O-CD 3.26Å
187T47.8Very low55.6Low77 Ų7797.2 Ų97.247%0.47247%0.472SS..SBendtrans-63.1119.2151.246.70000105.8Y183 N184 K189Y183-T187 PolarHBondContact O-N 3.48Å; N184-T187 VanDerWaalsContact C-OG1 3.31Å; N184-T187 VanDerWaalsContact CA-OG1 3.3Å; N184-T187 WeakPolarHBondContact CA-OG1 3.22Å; N184-T187 PolarHBondContact O-OG1 2.81Å; T187-K189 PolarHBondContact O-N 2.82Å
188P44.9Very low58Low106 Ų10687.3 Ų87.369%0.68844%0.439SS*.  trans-51.8111.4174.420.8-30.3000106F186 N190F186-P188 WeakPolarHBondContact O-CD 3.26Å; P188-N190 WeakPolarHBondContact O-CA 3.44Å; P188-N190 PolarHBondContact O-N 3.28Å
189K49.6Very low60.3Low149 Ų14981.8 Ų81.865%0.64842%0.424SS*.  trans-54.6109.8160.2-83.6-172.2176.4-178.10101.7T187 E191T187-K189 PolarHBondContact O-N 2.82Å; K189-E191 HydrophobicContact CB-CG 4.08Å; K189-E191 PolarHBondContact O-N 2.75Å
190N52.8Low62.8Low37 Ų3779.8 Ų79.820%0.19841%0.408CS..  trans-7643.2-161-156.917.2000109.8P188 E192 N193 R194P188-N190 WeakPolarHBondContact O-CA 3.44Å; P188-N190 PolarHBondContact O-N 3.28Å; N190-E192 PolarHBondContact O-N 2.64Å; N190-N193 HydrophobicContact CB-CB 4.42Å; N190-N193 VanDerWaalsContact CG-CB 3.4Å; N190-N193 VanDerWaalsContact CG-ND2 3.29Å; N190-N193 WeakPolarHBondContact ND2-CB 3.48Å; N190-N193 PolarHBondContact ND2-ND2 3.3Å; N190-N193 CarbonylContact O-C 3.52Å; N190-N193 WeakPolarHBondContact O-CA 3.36Å; N190-N193 PolarHBondContact O-N 2.8Å; N190-N193 WeakPolarHBondContact OD1-CB 3.04Å; N190-N193 VanDerWaalsContact OD1-CG 3.25Å; N190-N193 PolarHBondContact OD1-ND2 2.85Å; N190-R194 VanDerWaalsContact O-CG 3.27Å; N190-R194 WeakPolarHBondContact O-CG 3.29Å; N190-R194 PolarHBondContact O-N 3.26Å
191E52Low65Low142 Ų14281 Ų8166%0.66440%0.401SS*.THydrogen-bonded Turntrans-57.7-36.1-171.9-65.3-167.7176.200109.9K189 N193 R194K189-E191 HydrophobicContact CB-CG 4.08Å; K189-E191 PolarHBondContact O-N 2.75Å; E191-N193 PolarHBondContact O-N 3.15Å; E191-R194 PolarHBondContact O-N 3.49Å
192E51.8Low66.8Low185 Ų18577.9 Ų77.986%0.86438%0.379SS*.THydrogen-bonded Turntrans-64.1-24.8175.3-153.7166.2-145.300113.3N190N190-E192 PolarHBondContact O-N 2.64Å
193N53.9Low68.7Low34 Ų3476.1 Ų76.118%0.18237%0.367CS..THydrogen-bonded Turntrans-106.2-9.8177.7-64.8-38.1000113.1N190 E191 S195 D218 T220N190-N193 HydrophobicContact CB-CB 4.42Å; N190-N193 VanDerWaalsContact CG-CB 3.4Å; N190-N193 VanDerWaalsContact CG-ND2 3.29Å; N190-N193 WeakPolarHBondContact ND2-CB 3.48Å; N190-N193 PolarHBondContact ND2-ND2 3.3Å; N190-N193 CarbonylContact O-C 3.52Å; N190-N193 WeakPolarHBondContact O-CA 3.36Å; N190-N193 PolarHBondContact O-N 2.8Å; N190-N193 WeakPolarHBondContact OD1-CB 3.04Å; N190-N193 VanDerWaalsContact OD1-CG 3.25Å; N190-N193 PolarHBondContact OD1-ND2 2.85Å; E191-N193 PolarHBondContact O-N 3.15Å; N193-S195 PolarHBondContact O-N 3.47Å; N193-D218 VanDerWaalsContact O-CA 3.3Å; N193-D218 WeakPolarHBondContact O-CA 3.19Å; N193-T220 WeakPolarHBondContact CB-OG1 3.45Å; N193-T220 PolarHBondContact ND2-OG1 3.22Å; N193-T220 WeakPolarHBondContact OD1-CB 3.43Å; N193-T220 WeakPolarHBondContact OD1-CG2 3.46Å; N193-T220 PolarHBondContact OD1-OG1 3.35Å
194R68.3Low70.7Confident75 Ų7570.3 Ų70.328%0.28335%0.353SS..EExtended strand (participates in β ladder)trans-91.169.3177.7-70.3173.671.9160.5-5.6109.1N190 E191 Y196 E197 V216N190-R194 VanDerWaalsContact O-CG 3.27Å; N190-R194 WeakPolarHBondContact O-CG 3.29Å; N190-R194 PolarHBondContact O-N 3.26Å; E191-R194 PolarHBondContact O-N 3.49Å; R194-Y196 PolarHBondContact O-N 3.2Å; R194-E197 IonicContact CZ-OE2 3.96Å; R194-E197 IonicContact NE-OE2 2.8Å; R194-E197 PolarHBondContact NE-OE2 3.37Å; R194-E197 IonicContact NH2-OE1 2.64Å; R194-E197 PolarHBondContact NH2-OE1 2.78Å; R194-E197 IonicContact NH2-OE2 2.9Å; R194-E197 PolarHBondContact NH2-OE2 3.44Å; R194-V216 HydrophobicContact CB-CG1 4.14Å; R194-V216 HydrophobicContact CG-CG1 3.61Å
195S74.8Confident72.3Confident57 Ų5770.2 Ų70.240%0.39936%0.361SS..EExtended strand (participates in β ladder)trans-68.9-19.3-172.5-45.40000113.5N193 L217 V219 K291N193-S195 PolarHBondContact O-N 3.47Å; S195-L217 PolarHBondContact N-O 3.08Å; S195-V219 VanDerWaalsContact CB-CG2 3.41Å; S195-V219 WeakPolarHBondContact OG-CG2 3.27Å; S195-K291 PolarHBondContact O-NZ 2.66Å; S195-K291 VanDerWaalsContact O-NZ 3.08Å
196Y90.9Very high73.8Confident52 Ų5273.4 Ų73.420%0.20438%0.379CS..EExtended strand (participates in β ladder)trans-159.8146.9168.8-162.3-135.7000113.1R194 L217 V287 W288 K291R194-Y196 PolarHBondContact O-N 3.2Å; Y196-L217 PolarHBondContact O-N 3.26Å; Y196-V287 HydrophobicContact CE1-CG1 3.92Å; Y196-V287 HydrophobicContact CE2-CG1 4.25Å; Y196-W288 AromaticContact CD1-CD2 3.65Å; Y196-W288 HydrophobicContact CD1-CD2 3.65Å; Y196-W288 AromaticContact CD1-CE2 3.71Å; Y196-W288 AromaticContact CD1-CE3 3.62Å; Y196-W288 HydrophobicContact CD1-CE3 3.62Å; Y196-W288 HydrophobicContact CD1-CG 4.34Å; Y196-W288 AromaticContact CD1-CH2 3.8Å; Y196-W288 HydrophobicContact CD1-CH2 3.8Å; Y196-W288 AromaticContact CD1-CZ2 3.81Å; Y196-W288 HydrophobicContact CD1-CZ2 3.81Å; Y196-W288 AromaticContact CD1-CZ3 3.7Å; Y196-W288 HydrophobicContact CD1-CZ3 3.7Å; Y196-W288 AromaticContact CE1-CD1 3.77Å; Y196-W288 AromaticContact CE1-CD2 3.43Å; Y196-W288 HydrophobicContact CE1-CD2 3.43Å; Y196-W288 VanDerWaalsContact CE1-CD2 3.43Å; Y196-W288 AromaticContact CE1-CE2 3.35Å; Y196-W288 AromaticContact CE1-CE3 3.93Å; Y196-W288 HydrophobicContact CE1-CE3 3.93Å; Y196-W288 AromaticContact CE1-CG 3.73Å; Y196-W288 HydrophobicContact CE1-CG 3.73Å; Y196-W288 HydrophobicContact CE1-CH2 4.27Å; Y196-W288 AromaticContact CE1-CZ2 3.82Å; Y196-W288 HydrophobicContact CE1-CZ2 3.82Å; Y196-W288 HydrophobicContact CE1-CZ3 4.32Å; Y196-W288 AromaticContact CE1-NE1 3.55Å; Y196-K291 HydrophobicContact CD1-CD 3.67Å; Y196-K291 HydrophobicContact CD2-CD 4.03Å; Y196-K291 HydrophobicContact CE1-CD 4.33Å; Y196-K291 HydrophobicContact CG-CD 3.48Å; Y196-K291 VanDerWaalsContact CG-CD 3.48Å
197E93.4Very high75.9Confident71 Ų7177.8 Ų77.833%0.33241%0.405SS..EExtended strand (participates in β ladder)trans-152.3160.2178.961.7-171.9-136.500112.6R194 W214 F215 V216R194-E197 IonicContact CZ-OE2 3.96Å; R194-E197 IonicContact NE-OE2 2.8Å; R194-E197 PolarHBondContact NE-OE2 3.37Å; R194-E197 IonicContact NH2-OE1 2.64Å; R194-E197 PolarHBondContact NH2-OE1 2.78Å; R194-E197 IonicContact NH2-OE2 2.9Å; R194-E197 PolarHBondContact NH2-OE2 3.44Å; E197-W214 HydrophobicContact CB-CZ2 4.02Å; E197-W214 HydrophobicContact CG-CZ2 3.74Å; E197-W214 WeakPolarHBondContact OE1-CZ2 3.23Å; E197-F215 CarbonylContact C-O 3.51Å; E197-F215 WeakPolarHBondContact CA-O 3.5Å; E197-F215 WeakPolarHBondContact CB-O 3.27Å; E197-V216 HydrophobicContact CB-CG2 4.09Å
198G94.1Very high77.8Confident12 Ų1279.4 Ų79.412%0.12441%0.405CS..EExtended strand (participates in β ladder)trans158.4179177.800000112.6F215G198-F215 PolarHBondContact N-O 2.69Å; G198-F215 PolarHBondContact O-N 2.84Å
199I95.1Very high79.9Confident94 Ų9476.6 Ų76.648%0.48239%0.391SS..EExtended strand (participates in β ladder)trans-80.4127.9179.5-60.6175.9000109.6Y201 P212 R213 W214I199-Y201 HydrophobicContact CG2-CE2 4.49Å; I199-P212 HydrophobicContact CG2-CB 3.88Å; I199-R213 WeakPolarHBondContact CA-O 3.47Å; I199-W214 HydrophobicContact CG1-CE3 3.77Å; I199-W214 HydrophobicContact CG1-CZ3 4.07Å
200L96.2Very high81.9Confident0 Ų071.1 Ų71.10%037%0.366CS..EExtended strand (participates in β ladder)trans-122.3139.5162.3-65.7171.6000109.6R213 F215 F266 F277 A279 W288L200-R213 PolarHBondContact N-O 2.85Å; L200-R213 PolarHBondContact O-N 2.91Å; L200-F215 HydrophobicContact CB-CD2 3.56Å; L200-F215 HydrophobicContact CB-CE2 3.83Å; L200-F215 HydrophobicContact CB-CG 4.32Å; L200-F215 HydrophobicContact CD1-CB 4.16Å; L200-F215 HydrophobicContact CD1-CD1 4.48Å; L200-F215 HydrophobicContact CD1-CD2 4.06Å; L200-F215 HydrophobicContact CD1-CG 3.99Å; L200-F215 HydrophobicContact CG-CD2 4.15Å; L200-F215 HydrophobicContact CG-CG 4.46Å; L200-F266 HydrophobicContact CD1-CZ 4.03Å; L200-F266 HydrophobicContact CD2-CE1 4.07Å; L200-F266 HydrophobicContact CD2-CZ 4.26Å; L200-F277 HydrophobicContact CB-CD1 4.46Å; L200-A279 HydrophobicContact CD2-CB 3.94Å; L200-W288 HydrophobicContact CD1-CD2 3.83Å; L200-W288 HydrophobicContact CD1-CE3 4.08Å; L200-W288 HydrophobicContact CD1-CG 4.26Å; L200-W288 HydrophobicContact CD1-CH2 4.48Å; L200-W288 HydrophobicContact CD1-CZ2 4.25Å; L200-W288 HydrophobicContact CD1-CZ3 4.4Å; L200-W288 HydrophobicContact CD2-CD2 4.27Å; L200-W288 HydrophobicContact CD2-CG 4.03Å; L200-W288 HydrophobicContact CG-CD2 4.27Å; L200-W288 HydrophobicContact CG-CZ2 4.25Å
201Y95.1Very high83.8Confident80 Ų8075.5 Ų75.531%0.31438%0.384SS..EExtended strand (participates in β ladder)trans-80.5123.9166.4-69.1-95.8000108.4I199 W210 K211 P212 F277 C278I199-Y201 HydrophobicContact CG2-CE2 4.49Å; Y201-W210 WeakPolarHBondContact O-CZ3 3.46Å; Y201-K211 WeakPolarHBondContact CA-O 3.35Å; Y201-P212 HydrophobicContact CD1-CB 4.07Å; Y201-P212 HydrophobicContact CE1-CB 3.75Å; Y201-P212 HydrophobicContact CE1-CG 4.08Å; Y201-F277 CarbonylContact O-C 3.54Å; Y201-F277 VanDerWaalsContact O-CA 3.29Å; Y201-F277 WeakPolarHBondContact O-CA 3.06Å; Y201-C278 PolarHBondContact N-O 3.4Å; Y201-C278 PolarHBondContact O-N 3.18Å
202K93.8Very high85.9Confident25 Ų2571.9 Ų71.911%0.10937%0.373CS..EExtended strand (participates in β ladder)trans-111.4137.1177.1175.2179.6166.1-175.20110.1W210 K211 F215 Y226 F277K202-W210 WeakPolarHBondContact O-CA 3.32Å; K202-K211 PolarHBondContact N-O 2.91Å; K202-K211 PolarHBondContact O-N 3.45Å; K202-F215 HydrophobicContact CB-CE2 4.39Å; K202-F215 HydrophobicContact CB-CZ 4.31Å; K202-F215 HydrophobicContact CD-CZ 4.08Å; K202-Y226 PolarHBondContact NZ-OH 2.8Å; K202-F277 HydrophobicContact CB-CD1 3.94Å; K202-F277 HydrophobicContact CB-CE1 3.77Å; K202-F277 HydrophobicContact CD-CE1 3.94Å; K202-F277 HydrophobicContact CG-CD1 4.23Å; K202-F277 HydrophobicContact CG-CE1 3.73Å
203R93.1Very high88Confident46 Ų4664.9 Ų64.917%0.17434%0.338CS..EExtended strand (participates in β ladder)trans-79.4128.2171.2-161.7177.1-178.8-166.71.7111.7K208 W210 T253 N276R203-K208 WeakPolarHBondContact CG-O 3.48Å; R203-K208 PolarHBondContact NE-O 3.11Å; R203-W210 HydrophobicContact CB-CD2 4.05Å; R203-W210 HydrophobicContact CB-CE3 4.21Å; R203-W210 HydrophobicContact CB-CH2 4.26Å; R203-W210 HydrophobicContact CB-CZ2 4.07Å; R203-W210 HydrophobicContact CB-CZ3 4.31Å; R203-W210 HydrophobicContact CG-CD2 4.35Å; R203-W210 HydrophobicContact CG-CZ2 4.32Å; R203-T253 PolarHBondContact NH1-OG1 3.33Å; R203-N276 HydrophobicContact CB-CB 3.98Å; R203-N276 WeakPolarHBondContact CD-OD1 3.4Å; R203-N276 PolarHBondContact N-O 3.45Å; R203-N276 VanDerWaalsContact N-O 3.09Å; R203-N276 PolarHBondContact NH1-OD1 3.06Å
204G90.1Very high89.9Confident29 Ų2966.2 Ų66.230%0.29934%0.341SS..  trans-64.4143.1173.800000111.8K208 A209G204-K208 VanDerWaalsContact O-CA 3.27Å; G204-K208 WeakPolarHBondContact O-CA 3.34Å; G204-K208 WeakPolarHBondContact O-CD 3.15Å; G204-K208 PolarHBondContact O-N 2.97Å; G204-A209 PolarHBondContact N-O 2.71Å
205A84.4Confident91.3Very high56 Ų5662.7 Ų62.746%0.46333%0.328SS..THydrogen-bonded Turntrans-70.2-45.5-177.800000112.5K208A205-K208 WeakPolarHBondContact O-CE 3.42Å; A205-K208 PolarHBondContact O-NZ 3.34Å
206L83.9Confident92.2Very high157 Ų15760 Ų6082%0.82231%0.309SS*.THydrogen-bonded Turntrans-85.8-61.3-175.5-174.866.5000111.9K208L206-K208 VanDerWaalsContact C-N 3.27Å; L206-K208 PolarHBondContact O-N 2.77Å
207L86.8Confident92.4Very high149 Ų14957.6 Ų57.678%0.7830%0.299SS*.THydrogen-bonded Turntrans-82.2-2.3-174.6-61176.9000114A209L207-A209 PolarHBondContact O-N 3.06Å
208K88.2Confident92.2Very high111 Ų11154.2 Ų54.248%0.48328%0.284SS..  trans50.314.3-177-58.4-53.6-171.6-165.80115.8R203 G204 A205 L206R203-K208 WeakPolarHBondContact CG-O 3.48Å; R203-K208 PolarHBondContact NE-O 3.11Å; G204-K208 VanDerWaalsContact O-CA 3.27Å; G204-K208 WeakPolarHBondContact O-CA 3.34Å; G204-K208 WeakPolarHBondContact O-CD 3.15Å; G204-K208 PolarHBondContact O-N 2.97Å; A205-K208 WeakPolarHBondContact O-CE 3.42Å; A205-K208 PolarHBondContact O-NZ 3.34Å; L206-K208 VanDerWaalsContact C-N 3.27Å; L206-K208 PolarHBondContact O-N 2.77Å
209A89.2Confident91.9Very high48 Ų4855.7 Ų55.740%0.39729%0.29SS..  trans-76.4141.317800000111.1G204 L207G204-A209 PolarHBondContact N-O 2.71Å; L207-A209 PolarHBondContact O-N 3.06Å
210W92.4Very high91.5Very high33 Ų3355.2 Ų55.213%0.12529%0.292CS..EExtended strand (participates in β ladder)trans-87.9130.5174.6-68.483.4000109.9Y201 K202 R203 T253 G255 A256 F265 N276 C278Y201-W210 WeakPolarHBondContact O-CZ3 3.46Å; K202-W210 WeakPolarHBondContact O-CA 3.32Å; R203-W210 HydrophobicContact CB-CD2 4.05Å; R203-W210 HydrophobicContact CB-CE3 4.21Å; R203-W210 HydrophobicContact CB-CH2 4.26Å; R203-W210 HydrophobicContact CB-CZ2 4.07Å; R203-W210 HydrophobicContact CB-CZ3 4.31Å; R203-W210 HydrophobicContact CG-CD2 4.35Å; R203-W210 HydrophobicContact CG-CZ2 4.32Å; W210-T253 WeakPolarHBondContact CZ2-OG1 3.37Å; W210-G255 VanDerWaalsContact CD1-C 3.48Å; W210-A256 HydrophobicContact CZ2-CB 4.13Å; W210-F265 AromaticContact CH2-CD1 3.96Å; W210-F265 HydrophobicContact CH2-CD1 3.96Å; W210-F265 HydrophobicContact CH2-CE1 4.1Å; W210-F265 HydrophobicContact CZ2-CD1 4.48Å; W210-F265 HydrophobicContact CZ2-CE1 4.35Å; W210-N276 HydrophobicContact CH2-CB 3.87Å; W210-N276 HydrophobicContact CZ2-CB 4.35Å; W210-C278 HydrophobicContact CE3-CB 4.26Å; W210-C278 HydrophobicContact CH2-CB 4.26Å; W210-C278 HydrophobicContact CZ3-CB 3.66Å
211K92.9Very high91.1Very high129 Ų12960.9 Ų60.956%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans-131.4136.7174.7-70.5-165.8173.6-168.30110.7Y201 K202Y201-K211 WeakPolarHBondContact CA-O 3.35Å; K202-K211 PolarHBondContact N-O 2.91Å; K202-K211 PolarHBondContact O-N 3.45Å
212P94.6Very high90.9Very high67 Ų6760 Ų6044%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-67.1140.2170.130.1-33.2000109I199 Y201I199-P212 HydrophobicContact CG2-CB 3.88Å; Y201-P212 HydrophobicContact CD1-CB 4.07Å; Y201-P212 HydrophobicContact CE1-CB 3.75Å; Y201-P212 HydrophobicContact CE1-CG 4.08Å
213R96.1Very high90.9Very high37 Ų3760.9 Ų60.914%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-143144173.7-69.9-67.4177.7154-14.6108.7I199 L200 F215 Y226 Y227 D228I199-R213 WeakPolarHBondContact CA-O 3.47Å; L200-R213 PolarHBondContact N-O 2.85Å; L200-R213 PolarHBondContact O-N 2.91Å; R213-F215 HydrophobicContact CB-CD2 4Å; R213-F215 HydrophobicContact CB-CE2 3.6Å; R213-F215 HydrophobicContact CB-CZ 4.44Å; R213-F215 WeakPolarHBondContact O-CD2 3.43Å; R213-F215 PolarHBondContact O-N 2.7Å; R213-Y226 HydrophobicContact CG-CD2 4.28Å; R213-Y227 WeakPolarHBondContact CD-O 3.35Å; R213-D228 IonicContact CZ-OD1 2.7Å; R213-D228 IonicContact CZ-OD2 3.79Å; R213-D228 IonicContact NE-OD1 2.64Å; R213-D228 IonicContact NH1-OD1 3.02Å; R213-D228 PolarHBondContact NH1-OD1 2.67Å; R213-D228 IonicContact NH1-OD2 3.2Å; R213-D228 PolarHBondContact NH1-OD2 3.1Å; R213-D228 IonicContact NH2-OD1 2.69Å; R213-D228 PolarHBondContact NH2-OD1 2.67Å; R213-D228 IonicContact NH2-OD2 2.66Å
214W95.5Very high91Very high63 Ų6358.7 Ų58.724%0.23931%0.311CS..EExtended strand (participates in β ladder)trans-77.5117.3170.7-172.2-96.1000108.6E197 I199 Y226 Y227 G230E197-W214 HydrophobicContact CB-CZ2 4.02Å; E197-W214 HydrophobicContact CG-CZ2 3.74Å; E197-W214 WeakPolarHBondContact OE1-CZ2 3.23Å; I199-W214 HydrophobicContact CG1-CE3 3.77Å; I199-W214 HydrophobicContact CG1-CZ3 4.07Å; W214-Y226 CarbonylContact O-C 3.43Å; W214-Y226 WeakPolarHBondContact O-CA 3.23Å; W214-Y227 PolarHBondContact N-O 2.64Å; W214-Y227 PolarHBondContact O-N 2.98Å; W214-G230 VanDerWaalsContact CG-CA 3.47Å
215F96.2Very high91.3Very high0 Ų058.3 Ų58.30%030%0.301CS..EExtended strand (participates in β ladder)trans-102.7144.7177.7-82.9-96.5000110.6E197 G198 L200 K202 R213 L224 R225 Y226 F277 W288E197-F215 CarbonylContact C-O 3.51Å; E197-F215 WeakPolarHBondContact CA-O 3.5Å; E197-F215 WeakPolarHBondContact CB-O 3.27Å; G198-F215 PolarHBondContact N-O 2.69Å; G198-F215 PolarHBondContact O-N 2.84Å; L200-F215 HydrophobicContact CB-CD2 3.56Å; L200-F215 HydrophobicContact CB-CE2 3.83Å; L200-F215 HydrophobicContact CB-CG 4.32Å; L200-F215 HydrophobicContact CD1-CB 4.16Å; L200-F215 HydrophobicContact CD1-CD1 4.48Å; L200-F215 HydrophobicContact CD1-CD2 4.06Å; L200-F215 HydrophobicContact CD1-CG 3.99Å; L200-F215 HydrophobicContact CG-CD2 4.15Å; L200-F215 HydrophobicContact CG-CG 4.46Å; K202-F215 HydrophobicContact CB-CE2 4.39Å; K202-F215 HydrophobicContact CB-CZ 4.31Å; K202-F215 HydrophobicContact CD-CZ 4.08Å; R213-F215 HydrophobicContact CB-CD2 4Å; R213-F215 HydrophobicContact CB-CE2 3.6Å; R213-F215 HydrophobicContact CB-CZ 4.44Å; R213-F215 WeakPolarHBondContact O-CD2 3.43Å; R213-F215 PolarHBondContact O-N 2.7Å; F215-L224 HydrophobicContact CB-CD1 4.33Å; F215-L224 HydrophobicContact CD1-CD1 3.86Å; F215-L224 HydrophobicContact CD1-CD2 4.16Å; F215-L224 HydrophobicContact CD1-CG 3.77Å; F215-L224 HydrophobicContact CE1-CD2 4.39Å; F215-L224 HydrophobicContact CE1-CG 4.26Å; F215-R225 CarbonylContact C-O 3.53Å; F215-R225 VanDerWaalsContact CA-O 3.32Å; F215-R225 WeakPolarHBondContact CA-O 3.43Å; F215-Y226 AromaticContact CE1-CD1 3.84Å; F215-Y226 HydrophobicContact CE1-CD1 3.84Å; F215-Y226 AromaticContact CE1-CG 3.98Å; F215-Y226 HydrophobicContact CE1-CG 3.98Å; F215-Y226 HydrophobicContact CZ-CD1 4.08Å; F215-Y226 AromaticContact CZ-CG 3.94Å; F215-Y226 HydrophobicContact CZ-CG 3.94Å; F215-F277 AromaticContact CE1-CE1 3.9Å; F215-F277 HydrophobicContact CE1-CE1 3.9Å; F215-F277 HydrophobicContact CE1-CZ 4.07Å; F215-F277 HydrophobicContact CE2-CE1 4.12Å; F215-F277 HydrophobicContact CZ-CD1 4.32Å; F215-F277 AromaticContact CZ-CE1 3.46Å; F215-F277 HydrophobicContact CZ-CE1 3.46Å; F215-F277 VanDerWaalsContact CZ-CE1 3.46Å; F215-F277 HydrophobicContact CZ-CZ 4.08Å; F215-W288 HydrophobicContact CB-CH2 3.77Å; F215-W288 HydrophobicContact CB-CZ2 4.27Å; F215-W288 HydrophobicContact CB-CZ3 4.37Å
216V94.4Very high91.8Very high1 Ų157.5 Ų57.51%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-135118.8178178.40000107.6R194 E197 R225 Y227R194-V216 HydrophobicContact CB-CG1 4.14Å; R194-V216 HydrophobicContact CG-CG1 3.61Å; E197-V216 HydrophobicContact CB-CG2 4.09Å; V216-R225 PolarHBondContact N-O 2.96Å; V216-R225 PolarHBondContact O-N 2.95Å; V216-Y227 HydrophobicContact CB-CE2 4.11Å; V216-Y227 HydrophobicContact CG2-CD2 4.14Å; V216-Y227 HydrophobicContact CG2-CE2 3.74Å
217L94.3Very high92.3Very high1 Ų151.4 Ų51.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-83.9110.4171.9-176.764.2000108.6S195 Y196 V219 L224 L241 W288 K291 I292S195-L217 PolarHBondContact N-O 3.08Å; Y196-L217 PolarHBondContact O-N 3.26Å; L217-V219 HydrophobicContact CG-CG2 4.37Å; L217-L224 HydrophobicContact CB-CD1 4.33Å; L217-L224 HydrophobicContact CD1-CD1 4.31Å; L217-L241 HydrophobicContact CD1-CD1 3.68Å; L217-W288 HydrophobicContact CB-CZ3 4.34Å; L217-K291 HydrophobicContact CD2-CB 3.81Å; L217-I292 HydrophobicContact CD1-CG1 4.33Å
218D90.8Very high92.4Very high0 Ų048.4 Ų48.40%024%0.237CC..EExtended strand (participates in β ladder)trans-99.3102.6174-168.5-36000109.3N193 T220 K221 H222 Q223 R225N193-D218 VanDerWaalsContact O-CA 3.3Å; N193-D218 WeakPolarHBondContact O-CA 3.19Å; D218-T220 PolarHBondContact OD1-N 3.43Å; D218-T220 PolarHBondContact OD1-OG1 2.75Å; D218-T220 VanDerWaalsContact OD1-OG1 3.08Å; D218-K221 HydrophobicContact CB-CB 4.37Å; D218-K221 PolarHBondContact OD1-N 3.34Å; D218-H222 WeakPolarHBondContact O-CA 3.39Å; D218-H222 PolarHBondContact O-N 2.85Å; D218-H222 VanDerWaalsContact O-N 3.11Å; D218-Q223 WeakPolarHBondContact CB-O 3.32Å; D218-Q223 PolarHBondContact N-O 3.04Å; D218-Q223 PolarHBondContact O-N 3.25Å; D218-R225 IonicContact OD2-CZ 2.87Å; D218-R225 IonicContact OD2-NH1 3.85Å; D218-R225 PolarHBondContact OD2-NH1 3.42Å; D218-R225 IonicContact OD2-NH2 2.68Å; D218-R225 PolarHBondContact OD2-NH2 2.64Å
219V87.8Confident92.4Very high44 Ų4446.3 Ų46.327%0.26723%0.234SC..THydrogen-bonded Turntrans-71-40.9-176.2178.90000110.5S195 L217 K221 H222S195-V219 VanDerWaalsContact CB-CG2 3.41Å; S195-V219 WeakPolarHBondContact OG-CG2 3.27Å; L217-V219 HydrophobicContact CG-CG2 4.37Å; V219-K221 PolarHBondContact O-N 2.81Å; V219-H222 PolarHBondContact O-CD2 2.84Å; V219-H222 PolarHBondContact O-N 2.88Å; V219-H222 VanDerWaalsContact O-N 3.15Å
220T85.8Confident92Very high84 Ų8445.7 Ų45.752%0.51523%0.232SC..THydrogen-bonded Turntrans-73-30.7-175.7570000113.2N193 D218N193-T220 WeakPolarHBondContact CB-OG1 3.45Å; N193-T220 PolarHBondContact ND2-OG1 3.22Å; N193-T220 WeakPolarHBondContact OD1-CB 3.43Å; N193-T220 WeakPolarHBondContact OD1-CG2 3.46Å; N193-T220 PolarHBondContact OD1-OG1 3.35Å; D218-T220 PolarHBondContact OD1-N 3.43Å; D218-T220 PolarHBondContact OD1-OG1 2.75Å; D218-T220 VanDerWaalsContact OD1-OG1 3.08Å
221K87.1Confident91.4Very high118 Ų11852.9 Ų52.951%0.51327%0.267SS..THydrogen-bonded Turntrans-89.6-1.3172.3-61-167.9-170.21740113.6D218 V219 Q223D218-K221 HydrophobicContact CB-CB 4.37Å; D218-K221 PolarHBondContact OD1-N 3.34Å; V219-K221 PolarHBondContact O-N 2.81Å; K221-Q223 VanDerWaalsContact C-N 3.28Å; K221-Q223 HydrophobicContact CB-CB 4.47Å; K221-Q223 HydrophobicContact CB-CG 4.47Å; K221-Q223 WeakPolarHBondContact O-CG 3.42Å; K221-Q223 PolarHBondContact O-N 2.8Å
222H91.7Very high90.8Very high63 Ų6349.7 Ų49.729%0.29226%0.256SS..THydrogen-bonded Turntrans48.648.4-172.3-74.3-93.2000112.7D218 V219 L241 C295D218-H222 WeakPolarHBondContact O-CA 3.39Å; D218-H222 PolarHBondContact O-N 2.85Å; D218-H222 VanDerWaalsContact O-N 3.11Å; V219-H222 PolarHBondContact O-CD2 2.84Å; V219-H222 PolarHBondContact O-N 2.88Å; V219-H222 VanDerWaalsContact O-N 3.15Å; H222-L241 HydrophobicContact CB-CB 4.28Å; H222-L241 WeakPolarHBondContact O-CB 3.38Å; H222-L241 WeakPolarHBondContact O-CG 3.43Å; H222-L241 PolarHBondContact O-N 2.86Å; H222-C295 PolarHBondContact ND1-O 2.87Å
223Q94.3Very high90Very high42 Ų4250.8 Ų50.820%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-134.1133.7-176.4-77.2175.8-0.900112.4D218 K221 R225 I239D218-Q223 WeakPolarHBondContact CB-O 3.32Å; D218-Q223 PolarHBondContact N-O 3.04Å; D218-Q223 PolarHBondContact O-N 3.25Å; K221-Q223 VanDerWaalsContact C-N 3.28Å; K221-Q223 HydrophobicContact CB-CB 4.47Å; K221-Q223 HydrophobicContact CB-CG 4.47Å; K221-Q223 WeakPolarHBondContact O-CG 3.42Å; K221-Q223 PolarHBondContact O-N 2.8Å; Q223-R225 HydrophobicContact CB-CG 4.16Å; Q223-I239 WeakPolarHBondContact CA-O 2.89Å
224L95.5Very high89.3Confident0 Ų055.5 Ų55.50%029%0.29CS..EExtended strand (participates in β ladder)trans-95.8100.1165.7-178.661.8000109.4F215 L217 H238 I239 L241 L268 W288 I292F215-L224 HydrophobicContact CB-CD1 4.33Å; F215-L224 HydrophobicContact CD1-CD1 3.86Å; F215-L224 HydrophobicContact CD1-CD2 4.16Å; F215-L224 HydrophobicContact CD1-CG 3.77Å; F215-L224 HydrophobicContact CE1-CD2 4.39Å; F215-L224 HydrophobicContact CE1-CG 4.26Å; L217-L224 HydrophobicContact CB-CD1 4.33Å; L217-L224 HydrophobicContact CD1-CD1 4.31Å; L224-H238 CarbonylContact O-C 3.54Å; L224-H238 WeakPolarHBondContact O-CA 3.3Å; L224-I239 HydrophobicContact CB-CB 4.33Å; L224-I239 HydrophobicContact CD2-CD1 4.39Å; L224-I239 PolarHBondContact N-O 3.15Å; L224-I239 PolarHBondContact O-N 3.37Å; L224-L241 HydrophobicContact CB-CD2 4.03Å; L224-L268 HydrophobicContact CD2-CD1 4.21Å; L224-W288 HydrophobicContact CD1-CZ3 3.94Å; L224-I292 HydrophobicContact CD2-CD1 3.96Å
225R94.8Very high89.1Confident21 Ų2155.1 Ų55.18%0.07930%0.296CS..EExtended strand (participates in β ladder)trans-93.6151-176.8-59.6-164.8-69.6-109.4-10.6111.4F215 V216 D218 Q223 Y227 H238F215-R225 CarbonylContact C-O 3.53Å; F215-R225 VanDerWaalsContact CA-O 3.32Å; F215-R225 WeakPolarHBondContact CA-O 3.43Å; V216-R225 PolarHBondContact N-O 2.96Å; V216-R225 PolarHBondContact O-N 2.95Å; D218-R225 IonicContact OD2-CZ 2.87Å; D218-R225 IonicContact OD2-NH1 3.85Å; D218-R225 PolarHBondContact OD2-NH1 3.42Å; D218-R225 IonicContact OD2-NH2 2.68Å; D218-R225 PolarHBondContact OD2-NH2 2.64Å; Q223-R225 HydrophobicContact CB-CG 4.16Å; R225-Y227 HydrophobicContact CB-CE2 3.99Å; R225-Y227 PolarHBondContact NE-OH 3.2Å; R225-H238 HydrophobicContact CB-CB 4.46Å; R225-H238 HydrophobicContact CG-CB 3.85Å
226Y95.1Very high88.9Confident40 Ų4062.9 Ų62.916%0.15733%0.325CS..EExtended strand (participates in β ladder)trans-137.1148.917465.3-90.2000114.2K202 R213 W214 F215 R236 G237K202-Y226 PolarHBondContact NZ-OH 2.8Å; R213-Y226 HydrophobicContact CG-CD2 4.28Å; W214-Y226 CarbonylContact O-C 3.43Å; W214-Y226 WeakPolarHBondContact O-CA 3.23Å; F215-Y226 AromaticContact CE1-CD1 3.84Å; F215-Y226 HydrophobicContact CE1-CD1 3.84Å; F215-Y226 AromaticContact CE1-CG 3.98Å; F215-Y226 HydrophobicContact CE1-CG 3.98Å; F215-Y226 HydrophobicContact CZ-CD1 4.08Å; F215-Y226 AromaticContact CZ-CG 3.94Å; F215-Y226 HydrophobicContact CZ-CG 3.94Å; Y226-R236 HydrophobicContact CD2-CB 3.83Å; Y226-R236 HydrophobicContact CD2-CG 4.36Å; Y226-R236 HydrophobicContact CE2-CB 3.63Å; Y226-R236 HydrophobicContact CE2-CG 3.74Å; Y226-R236 PolarHBondContact O-N 3.49Å; Y226-G237 WeakPolarHBondContact CD1-O 3.46Å; Y226-G237 VanDerWaalsContact CE1-C 3.5Å; Y226-G237 PolarHBondContact N-O 3.38Å; Y226-G237 PolarHBondContact O-N 2.86Å
227Y94.4Very high88.8Confident28 Ų2863.5 Ų63.511%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-128.2162.8-172.1-56.2-100.1000110.3R213 W214 V216 R225 T229 D232 N234 C235R213-Y227 WeakPolarHBondContact CD-O 3.35Å; W214-Y227 PolarHBondContact N-O 2.64Å; W214-Y227 PolarHBondContact O-N 2.98Å; V216-Y227 HydrophobicContact CB-CE2 4.11Å; V216-Y227 HydrophobicContact CG2-CD2 4.14Å; V216-Y227 HydrophobicContact CG2-CE2 3.74Å; R225-Y227 HydrophobicContact CB-CE2 3.99Å; R225-Y227 PolarHBondContact NE-OH 3.2Å; Y227-T229 WeakPolarHBondContact CB-O 3.11Å; Y227-D232 HydrophobicContact CD1-CB 4.1Å; Y227-D232 WeakPolarHBondContact CD1-O 3.35Å; Y227-N234 WeakPolarHBondContact CD1-O 3.36Å; Y227-C235 HydrophobicContact CD1-CB 4.12Å; Y227-C235 VanDerWaalsContact CE1-CA 3.45Å; Y227-C235 HydrophobicContact CE1-CB 3.63Å; Y227-C235 HydrophobicContact CE2-CB 4.41Å
228D89.9Confident88.8Confident86 Ų8668 Ų6846%0.4635%0.353SS..SBendtrans-68.9-43.2171.4-80-76.3000109.8R213 D232R213-D228 IonicContact CZ-OD1 2.7Å; R213-D228 IonicContact CZ-OD2 3.79Å; R213-D228 IonicContact NE-OD1 2.64Å; R213-D228 IonicContact NH1-OD1 3.02Å; R213-D228 PolarHBondContact NH1-OD1 2.67Å; R213-D228 IonicContact NH1-OD2 3.2Å; R213-D228 PolarHBondContact NH1-OD2 3.1Å; R213-D228 IonicContact NH2-OD1 2.69Å; R213-D228 PolarHBondContact NH2-OD1 2.67Å; R213-D228 IonicContact NH2-OD2 2.66Å; D228-D232 WeakPolarHBondContact CA-OD2 3.45Å; D228-D232 VanDerWaalsContact CB-OD2 3.29Å; D228-D232 WeakPolarHBondContact CB-OD2 3.35Å; D228-D232 PolarHBondContact N-OD2 3.08Å
229T87.4Confident89Confident68 Ų6868.2 Ų68.242%0.41735%0.354SS..SBendtrans-133.2165.3176.774.60000111.6Y227 E231 D232Y227-T229 WeakPolarHBondContact CB-O 3.11Å; T229-E231 PolarHBondContact O-N 3.29Å; T229-E231 PolarHBondContact OG1-N 3.34Å; T229-D232 PolarHBondContact N-OD2 2.9Å; T229-D232 PolarHBondContact O-N 3.02Å; T229-D232 PolarHBondContact OG1-N 3.27Å; T229-D232 PolarHBondContact OG1-OD1 3.33Å; T229-D232 VanDerWaalsContact OG1-OD1 3.08Å; T229-D232 PolarHBondContact OG1-OD2 3.25Å
230G80.9Confident89.3Confident35 Ų3568.9 Ų68.936%0.36136%0.356SS..THydrogen-bonded Turntrans-72.2-12.4177.100000114.8W214W214-G230 VanDerWaalsContact CG-CA 3.47Å
231E80.4Confident89.7Confident184 Ų18465 Ų6586%0.8633%0.332SS*.THydrogen-bonded Turntrans-95.6-10.8-179.5-60.1-178.2169.500112.5T229 T233T229-E231 PolarHBondContact O-N 3.29Å; T229-E231 PolarHBondContact OG1-N 3.34Å; E231-T233 PolarHBondContact O-N 3.13Å
232D79.9Confident90Very high62 Ų6263.1 Ų63.133%0.33234%0.339SS..  trans-69.3132.8-178.3-68-31.9000111.6Y227 D228 T229Y227-D232 HydrophobicContact CD1-CB 4.1Å; Y227-D232 WeakPolarHBondContact CD1-O 3.35Å; D228-D232 WeakPolarHBondContact CA-OD2 3.45Å; D228-D232 VanDerWaalsContact CB-OD2 3.29Å; D228-D232 WeakPolarHBondContact CB-OD2 3.35Å; D228-D232 PolarHBondContact N-OD2 3.08Å; T229-D232 PolarHBondContact N-OD2 2.9Å; T229-D232 PolarHBondContact O-N 3.02Å; T229-D232 PolarHBondContact OG1-N 3.27Å; T229-D232 PolarHBondContact OG1-OD1 3.33Å; T229-D232 VanDerWaalsContact OG1-OD1 3.08Å; T229-D232 PolarHBondContact OG1-OD2 3.25Å
233T77.7Confident90Very high90 Ų9061.8 Ų61.855%0.55233%0.334SS*.SBendtrans-79.9-32.2175.254.60000112.4E231E231-T233 PolarHBondContact O-N 3.13Å
234N81.8Confident90.1Very high135 Ų13560.4 Ų60.472%0.72233%0.328SS*.SBendtrans-95.3120.7-176.5-69.7-35.3000111Y227Y227-N234 WeakPolarHBondContact CD1-O 3.36Å
235C90.1Very high90Very high56 Ų5665.5 Ų65.538%0.37835%0.352SS..  trans-68.9139.8174.870.30000110.8Y227 G237Y227-C235 HydrophobicContact CD1-CB 4.12Å; Y227-C235 VanDerWaalsContact CE1-CA 3.45Å; Y227-C235 HydrophobicContact CE1-CB 3.63Å; Y227-C235 HydrophobicContact CE2-CB 4.41Å; C235-G237 VanDerWaalsContact C-N 3.29Å
236R92.3Very high90Very high162 Ų16266.8 Ų66.861%0.61136%0.364SS*.SBendtrans-73.3-28.4173.6-170.971.2171.7100.7-5.5111.4Y226Y226-R236 HydrophobicContact CD2-CB 3.83Å; Y226-R236 HydrophobicContact CD2-CG 4.36Å; Y226-R236 HydrophobicContact CE2-CB 3.63Å; Y226-R236 HydrophobicContact CE2-CG 3.74Å; Y226-R236 PolarHBondContact O-N 3.49Å
237G92.6Very high90.1Very high15 Ų1565.2 Ų65.216%0.15536%0.359CS..EExtended strand (participates in β ladder)trans177.3177.4175.700000111.1Y226 C235Y226-G237 WeakPolarHBondContact CD1-O 3.46Å; Y226-G237 VanDerWaalsContact CE1-C 3.5Å; Y226-G237 PolarHBondContact N-O 3.38Å; Y226-G237 PolarHBondContact O-N 2.86Å; C235-G237 VanDerWaalsContact C-N 3.29Å
238H94.4Very high90.1Very high96 Ų9667 Ų6744%0.44437%0.373SS..EExtended strand (participates in β ladder)trans-141.6163.6177.664.8-89.3000110.8L224 R225L224-H238 CarbonylContact O-C 3.54Å; L224-H238 WeakPolarHBondContact O-CA 3.3Å; R225-H238 HydrophobicContact CB-CB 4.46Å; R225-H238 HydrophobicContact CG-CB 3.85Å
239I94.9Very high90.3Very high4 Ų467.6 Ų67.62%0.02138%0.381CS..EExtended strand (participates in β ladder)trans-119.2123.2169.5-55170.8000105.3Q223 L224 V244 L268 T270 Y275 F277Q223-I239 WeakPolarHBondContact CA-O 2.89Å; L224-I239 HydrophobicContact CB-CB 4.33Å; L224-I239 HydrophobicContact CD2-CD1 4.39Å; L224-I239 PolarHBondContact N-O 3.15Å; L224-I239 PolarHBondContact O-N 3.37Å; I239-V244 HydrophobicContact CG2-CG2 4.45Å; I239-L268 HydrophobicContact CD1-CD2 4.47Å; I239-L268 HydrophobicContact CG2-CD2 4.09Å; I239-T270 HydrophobicContact CG2-CG2 3.91Å; I239-Y275 HydrophobicContact CD1-CD1 3.58Å; I239-Y275 HydrophobicContact CD1-CD2 4.15Å; I239-Y275 HydrophobicContact CD1-CE1 3.55Å; I239-Y275 HydrophobicContact CD1-CE2 4.14Å; I239-Y275 HydrophobicContact CD1-CG 3.91Å; I239-Y275 HydrophobicContact CG1-CD1 4.36Å; I239-Y275 HydrophobicContact CG1-CE1 3.8Å; I239-Y275 HydrophobicContact CG1-CE2 4.32Å; I239-Y275 HydrophobicContact CG2-CE2 4.26Å; I239-F277 HydrophobicContact CD1-CE2 4.35Å; I239-F277 HydrophobicContact CD1-CZ 3.81Å
240D94.6Very high90.5Very high57 Ų5765.3 Ų65.331%0.30537%0.37SS..EExtended strand (participates in β ladder)trans-72.4126.8173.3-161.5-37.6000108.5A242 D243D240-A242 VanDerWaalsContact C-N 3.25Å; D240-A242 PolarHBondContact O-N 3.11Å; D240-A242 WeakPolarHBondContact OD1-CB 3.46Å; D240-A242 PolarHBondContact OD1-N 2.79Å; D240-D243 HydrophobicContact CB-CB 4.41Å; D240-D243 PolarHBondContact O-N 2.95Å
241L93.9Very high90.8Very high2 Ų267.2 Ų67.21%0.0138%0.381CS..G310 helixtrans-72.5-22.8-179.4-62.6178.5000111.6L217 H222 L224 D243 V244 I292 C295 V296L217-L241 HydrophobicContact CD1-CD1 3.68Å; H222-L241 HydrophobicContact CB-CB 4.28Å; H222-L241 WeakPolarHBondContact O-CB 3.38Å; H222-L241 WeakPolarHBondContact O-CG 3.43Å; H222-L241 PolarHBondContact O-N 2.86Å; L224-L241 HydrophobicContact CB-CD2 4.03Å; L241-D243 PolarHBondContact O-N 3.31Å; L241-V244 HydrophobicContact CD2-CG2 4.14Å; L241-V244 WeakPolarHBondContact O-CB 3.43Å; L241-V244 PolarHBondContact O-N 3.47Å; L241-V244 VanDerWaalsContact O-N 3.13Å; L241-I292 HydrophobicContact CD2-CG2 4.1Å; L241-C295 HydrophobicContact CD1-CB 3.67Å; L241-V296 HydrophobicContact CB-CG2 4.46Å
242A92.2Very high90.9Very high79 Ų7961 Ų6165%0.65336%0.358SS*.G310 helixtrans-66.7-23.4172.800000112.7D240 V244D240-A242 VanDerWaalsContact C-N 3.25Å; D240-A242 PolarHBondContact O-N 3.11Å; D240-A242 WeakPolarHBondContact OD1-CB 3.46Å; D240-A242 PolarHBondContact OD1-N 2.79Å; A242-V244 VanDerWaalsContact C-N 3.31Å
243D93Very high90.9Very high36 Ų3660.4 Ų60.419%0.19336%0.356CS..G310 helixtrans-82.7-7.5176-78.2-24000112.6D240 L241 T270 N271 K272D240-D243 HydrophobicContact CB-CB 4.41Å; D240-D243 PolarHBondContact O-N 2.95Å; L241-D243 PolarHBondContact O-N 3.31Å; D243-T270 CarbonylContact O-C 3.58Å; D243-T270 WeakPolarHBondContact O-CA 3.35Å; D243-T270 VanDerWaalsContact O-CB 3.23Å; D243-T270 WeakPolarHBondContact O-CB 3.15Å; D243-N271 PolarHBondContact O-N 2.72Å; D243-N271 PolarHBondContact OD1-ND2 3.37Å; D243-K272 IonicContact OD2-NZ 3.76Å; D243-K272 PolarHBondContact OD2-NZ 2.82Å
244V95.4Very high90.7Very high12 Ų1263.6 Ų63.67%0.07337%0.368CS..EExtended strand (participates in β ladder)trans-81122.2-174.3179.80000110.2I239 L241 A242 V247 L268 T270 V296I239-V244 HydrophobicContact CG2-CG2 4.45Å; L241-V244 HydrophobicContact CD2-CG2 4.14Å; L241-V244 WeakPolarHBondContact O-CB 3.43Å; L241-V244 PolarHBondContact O-N 3.47Å; L241-V244 VanDerWaalsContact O-N 3.13Å; A242-V244 VanDerWaalsContact C-N 3.31Å; V244-V247 HydrophobicContact CG1-CG2 4.08Å; V244-L268 HydrophobicContact CG1-CG 4.22Å; V244-L268 HydrophobicContact CG2-CD1 4.45Å; V244-L268 HydrophobicContact CG2-CD2 3.99Å; V244-L268 HydrophobicContact CG2-CG 4.35Å; V244-T270 HydrophobicContact CG2-CG2 4.11Å; V244-V296 HydrophobicContact CB-CG2 3.87Å; V244-V296 HydrophobicContact CG1-CG2 3.96Å
245E94.8Very high90.3Very high108 Ų10860.1 Ų60.151%0.50536%0.364SS..EExtended strand (participates in β ladder)trans-90.4-41.2177-64.6179.7-176.500111.6K269E245-K269 HydrophobicContact CB-CG 4.47Å; E245-K269 PolarHBondContact N-O 3.09Å; E245-K269 WeakPolarHBondContact OE2-CE 3.29Å; E245-K269 IonicContact OE2-NZ 3.89Å; E245-K269 PolarHBondContact OE2-NZ 3.14Å
246S94.2Very high89.7Confident47 Ų4758.1 Ų58.133%0.32935%0.352SS..EExtended strand (participates in β ladder)trans-160.5155.2-17966.10000112.6K269S246-K269 PolarHBondContact N-O 3.23Å; S246-K269 PolarHBondContact O-N 2.87Å
247V96.4Very high89Confident8 Ų852.2 Ų52.25%0.04833%0.334CS..EExtended strand (participates in β ladder)trans-125.2121.4170.5-173.20000107.5V244 F266 D267 L268 M289 I292 Q293V244-V247 HydrophobicContact CG1-CG2 4.08Å; V247-F266 HydrophobicContact CG1-CD2 3.95Å; V247-F266 HydrophobicContact CG1-CE2 4.5Å; V247-D267 WeakPolarHBondContact CA-O 3.02Å; V247-L268 HydrophobicContact CG2-CD1 4.28Å; V247-L268 HydrophobicContact CG2-CG 4.28Å; V247-M289 HydrophobicContact CG1-CB 4Å; V247-M289 HydrophobicContact CG1-CG 3.66Å; V247-M289 HydrophobicContact CG1-SD 4.36Å; V247-I292 HydrophobicContact CG2-CB 4.42Å; V247-I292 HydrophobicContact CG2-CG2 3.74Å; V247-Q293 HydrophobicContact CB-CG 3.96Å; V247-Q293 HydrophobicContact CG2-CG 4.23Å; V247-Q293 PolarHBondContact O-NE2 2.8Å
248T95.6Very high88.2Confident65 Ų6560.9 Ų60.940%0.39937%0.368SS..EExtended strand (participates in β ladder)trans-135.5145.2-174.354.90000111.7F266 D267T248-F266 WeakPolarHBondContact O-CA 3.19Å; T248-D267 PolarHBondContact N-O 3.41Å; T248-D267 PolarHBondContact O-N 2.83Å
249P94.4Very high87.4Confident98 Ų9865.5 Ų65.564%0.63639%0.389SS*.EExtended strand (participates in β ladder)trans-55.5142.2169.4-21.732.1000111M289P249-M289 HydrophobicContact CG-CE 4.21Å; P249-M289 HydrophobicContact CG-SD 4.16Å
250A91.5Very high86.8Confident21 Ų2167.1 Ų67.117%0.17440%0.397CS..  trans-126.8155.4-177.900000111F265 D267A250-F265 HydrophobicContact CB-CB 4.39Å; A250-F265 PolarHBondContact N-O 2.68Å; A250-F265 WeakPolarHBondContact O-CB 3.37Å; A250-D267 HydrophobicContact CB-CB 4.23Å
251A86.4Confident86.3Confident74 Ų7468.5 Ų68.561%0.61241%0.405SS*.PPolyproline II helixtrans-82.1152.4169.800000110.5T253A251-T253 PolarHBondContact O-N 3.22Å
252P82.8Confident85.9Confident55 Ų5575.2 Ų75.236%0.35744%0.436SS..PPolyproline II helixtrans-54.5128172.8-22.130.5000111.3E262 F265P252-E262 HydrophobicContact CG-CB 3.89Å; P252-E262 HydrophobicContact CG-CG 3.9Å; P252-F265 HydrophobicContact CB-CD2 4.27Å; P252-F265 HydrophobicContact CB-CE2 4Å; P252-F265 HydrophobicContact CB-CZ 4.16Å; P252-F265 HydrophobicContact CG-CD2 3.82Å; P252-F265 HydrophobicContact CG-CE2 3.77Å; P252-F265 HydrophobicContact CG-CZ 4.42Å
253T79.9Confident85.7Confident48 Ų4879.2 Ų79.229%0.29444%0.439SS..PPolyproline II helixtrans-99160.617748.30000112R203 W210 A251 G255 A256R203-T253 PolarHBondContact NH1-OG1 3.33Å; W210-T253 WeakPolarHBondContact CZ2-OG1 3.37Å; A251-T253 PolarHBondContact O-N 3.22Å; T253-G255 PolarHBondContact O-N 3.2Å; T253-A256 WeakPolarHBondContact O-CB 3.38Å; T253-A256 PolarHBondContact O-N 3.25Å
254I73.7Confident85.8Confident158 Ų15877.5 Ų77.581%0.8143%0.429SS*.THydrogen-bonded Turntrans-52.9125.7-179.2-61.9166000110.8
255G73.1Confident85.8Confident62 Ų6277.1 Ų77.164%0.63943%0.427SS*.THydrogen-bonded Turntrans90.30.4-177.600000114.9W210 T253W210-G255 VanDerWaalsContact CD1-C 3.48Å; T253-G255 PolarHBondContact O-N 3.2Å
256A78.5Confident85.8Confident14 Ų1472 Ų7212%0.11640%0.403CS..SBendtrans-64.2156.5173.400000112.7W210 T253 K258 F265W210-A256 HydrophobicContact CZ2-CB 4.13Å; T253-A256 WeakPolarHBondContact O-CB 3.38Å; T253-A256 PolarHBondContact O-N 3.25Å; A256-K258 PolarHBondContact O-N 3.25Å; A256-F265 HydrophobicContact CB-CE1 3.58Å; A256-F265 HydrophobicContact CB-CZ 3.82Å
257P76.6Confident85.9Confident37 Ų3771.7 Ų71.724%0.2440%0.398CS..  trans-56.7120.9174.2-23.234000111.5H259 I260P257-H259 VanDerWaalsContact C-N 3.3Å; P257-H259 PolarHBondContact O-N 3.25Å; P257-I260 HydrophobicContact CB-CB 4.49Å; P257-I260 HydrophobicContact CB-CD1 3.46Å; P257-I260 VanDerWaalsContact CB-CD1 3.46Å; P257-I260 HydrophobicContact CB-CG1 3.84Å; P257-I260 HydrophobicContact CG-CD1 3.83Å
258K75.4Confident86Confident198 Ų19871.3 Ų71.386%0.86140%0.395SS*.THydrogen-bonded Turntrans-73.4-14.9-169.8-64.3-175.6-179.7-177.90115.2A256A256-K258 PolarHBondContact O-N 3.25Å
259H77.9Confident86Confident192 Ų19272.7 Ų72.789%0.88940%0.396SS*.THydrogen-bonded Turntrans-107.411.6-174.6-60.8-67.8000113.4P257P257-H259 VanDerWaalsContact C-N 3.3Å; P257-H259 PolarHBondContact O-N 3.25Å
260I82.3Confident86Confident38 Ų3868.3 Ų68.320%0.19537%0.367CS..SBendtrans-103.4142-178-60.3-177.3000109.3P257 E262 A264 F265P257-I260 HydrophobicContact CB-CB 4.49Å; P257-I260 HydrophobicContact CB-CD1 3.46Å; P257-I260 VanDerWaalsContact CB-CD1 3.46Å; P257-I260 HydrophobicContact CB-CG1 3.84Å; P257-I260 HydrophobicContact CG-CD1 3.83Å; I260-E262 PolarHBondContact O-N 3.23Å; I260-A264 HydrophobicContact CG2-CB 3.55Å; I260-F265 HydrophobicContact CB-CE2 4.47Å; I260-F265 HydrophobicContact CB-CZ 4.5Å; I260-F265 HydrophobicContact CG2-CE2 4.29Å
261N84.1Confident86.1Confident87 Ų8771.6 Ų71.647%0.46538%0.382SS..  trans-54.8136.7178.9-171.1-32.8000111.1K263 A264 F265N261-K263 PolarHBondContact O-N 2.94Å; N261-K263 VanDerWaalsContact O-N 3.13Å; N261-K263 PolarHBondContact OD1-N 2.86Å; N261-A264 HydrophobicContact CB-CB 4.47Å; N261-A264 VanDerWaalsContact O-CB 3.23Å; N261-A264 WeakPolarHBondContact O-CB 3.31Å; N261-A264 PolarHBondContact O-N 3.01Å; N261-F265 WeakPolarHBondContact O-CD2 3.37Å; N261-F265 WeakPolarHBondContact O-CE2 3.18Å
262E85.8Confident86.2Confident143 Ų14375.4 Ų75.467%0.66838%0.384SS*.G310 helixtrans-59.1-26.9179.5-54.3-173.2160.600113.1P252 I260 A264 F265P252-E262 HydrophobicContact CG-CB 3.89Å; P252-E262 HydrophobicContact CG-CG 3.9Å; I260-E262 PolarHBondContact O-N 3.23Å; E262-A264 VanDerWaalsContact C-N 3.28Å; E262-A264 PolarHBondContact O-N 2.95Å; E262-F265 WeakPolarHBondContact O-CD2 3.47Å
263K88.9Confident86.7Confident163 Ų16376.6 Ų76.671%0.70938%0.382SS*.G310 helixtrans-82.60.2176.3-63.6-176-179.9-176.50114N261 F265 A282N261-K263 PolarHBondContact O-N 2.94Å; N261-K263 VanDerWaalsContact O-N 3.13Å; N261-K263 PolarHBondContact OD1-N 2.86Å; K263-F265 VanDerWaalsContact C-N 3.28Å; K263-A282 HydrophobicContact CB-CB 3.56Å
264A93.5Very high87.4Confident0 Ų077.8 Ų77.80%039%0.389CS..G310 helixtrans-871.3176.700000113.3I260 N261 E262 C278 A279 A285I260-A264 HydrophobicContact CG2-CB 3.55Å; N261-A264 HydrophobicContact CB-CB 4.47Å; N261-A264 VanDerWaalsContact O-CB 3.23Å; N261-A264 WeakPolarHBondContact O-CB 3.31Å; N261-A264 PolarHBondContact O-N 3.01Å; E262-A264 VanDerWaalsContact C-N 3.28Å; E262-A264 PolarHBondContact O-N 2.95Å; A264-C278 WeakPolarHBondContact O-CA 3.39Å; A264-A279 PolarHBondContact O-N 2.96Å; A264-A285 WeakPolarHBondContact O-CB 3.42Å
265F95.2Very high88.4Confident4 Ų471.5 Ų71.52%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-101.9138.8-177.4-65.5-93.3000111W210 A250 P252 A256 I260 N261 E262 K263 F277 C278W210-F265 AromaticContact CH2-CD1 3.96Å; W210-F265 HydrophobicContact CH2-CD1 3.96Å; W210-F265 HydrophobicContact CH2-CE1 4.1Å; W210-F265 HydrophobicContact CZ2-CD1 4.48Å; W210-F265 HydrophobicContact CZ2-CE1 4.35Å; A250-F265 HydrophobicContact CB-CB 4.39Å; A250-F265 PolarHBondContact N-O 2.68Å; A250-F265 WeakPolarHBondContact O-CB 3.37Å; P252-F265 HydrophobicContact CB-CD2 4.27Å; P252-F265 HydrophobicContact CB-CE2 4Å; P252-F265 HydrophobicContact CB-CZ 4.16Å; P252-F265 HydrophobicContact CG-CD2 3.82Å; P252-F265 HydrophobicContact CG-CE2 3.77Å; P252-F265 HydrophobicContact CG-CZ 4.42Å; A256-F265 HydrophobicContact CB-CE1 3.58Å; A256-F265 HydrophobicContact CB-CZ 3.82Å; I260-F265 HydrophobicContact CB-CE2 4.47Å; I260-F265 HydrophobicContact CB-CZ 4.5Å; I260-F265 HydrophobicContact CG2-CE2 4.29Å; N261-F265 WeakPolarHBondContact O-CD2 3.37Å; N261-F265 WeakPolarHBondContact O-CE2 3.18Å; E262-F265 WeakPolarHBondContact O-CD2 3.47Å; K263-F265 VanDerWaalsContact C-N 3.28Å; F265-F277 WeakPolarHBondContact CA-O 3.5Å; F265-C278 HydrophobicContact CD1-CB 3.63Å; F265-C278 HydrophobicContact CE1-CB 3.55Å; F265-C278 WeakPolarHBondContact CE1-SG 3.5Å; F265-C278 HydrophobicContact CG-CB 4.4Å; F265-C278 HydrophobicContact CZ-CB 4.28Å; F265-C278 VanDerWaalsContact CZ-SG 3.59Å
266F96.8Very high89.5Confident0 Ų069.8 Ų69.80%033%0.331CS..EExtended strand (participates in β ladder)trans-148.3151.3175.467.4-85.5000111.4L200 V247 T248 F277 A285 W288 M289 I292L200-F266 HydrophobicContact CD1-CZ 4.03Å; L200-F266 HydrophobicContact CD2-CE1 4.07Å; L200-F266 HydrophobicContact CD2-CZ 4.26Å; V247-F266 HydrophobicContact CG1-CD2 3.95Å; V247-F266 HydrophobicContact CG1-CE2 4.5Å; T248-F266 WeakPolarHBondContact O-CA 3.19Å; F266-F277 HydrophobicContact CD1-CB 4.02Å; F266-F277 HydrophobicContact CD2-CB 4.1Å; F266-F277 HydrophobicContact CD2-CD2 4.16Å; F266-F277 HydrophobicContact CE1-CB 3.58Å; F266-F277 HydrophobicContact CE2-CB 3.69Å; F266-F277 AromaticContact CE2-CD2 3.5Å; F266-F277 HydrophobicContact CE2-CD2 3.5Å; F266-F277 HydrophobicContact CE2-CE2 4.49Å; F266-F277 AromaticContact CE2-CG 3.97Å; F266-F277 HydrophobicContact CE2-CG 3.97Å; F266-F277 HydrophobicContact CG-CB 4.27Å; F266-F277 HydrophobicContact CZ-CB 3.41Å; F266-F277 VanDerWaalsContact CZ-CB 3.41Å; F266-F277 AromaticContact CZ-CD2 3.92Å; F266-F277 HydrophobicContact CZ-CD2 3.92Å; F266-F277 AromaticContact CZ-CG 3.92Å; F266-F277 HydrophobicContact CZ-CG 3.92Å; F266-F277 PolarHBondContact N-O 3.08Å; F266-F277 PolarHBondContact O-N 2.87Å; F266-A285 HydrophobicContact CD1-CB 4.21Å; F266-W288 HydrophobicContact CE1-CB 4.19Å; F266-W288 HydrophobicContact CZ-CB 4.02Å; F266-M289 HydrophobicContact CB-CE 4.49Å; F266-M289 HydrophobicContact CB-CG 3.79Å; F266-M289 HydrophobicContact CB-SD 3.42Å; F266-M289 WeakPolarHBondContact CB-SD 3.43Å; F266-M289 HydrophobicContact CD1-CG 4.3Å; F266-M289 HydrophobicContact CD2-CG 3.9Å; F266-M289 HydrophobicContact CG-CG 3.75Å; F266-M289 HydrophobicContact CG-SD 4.09Å; F266-I292 HydrophobicContact CE2-CD1 4.35Å
267D96.2Very high90.3Very high41 Ų4169.2 Ų69.222%0.21933%0.326CS..EExtended strand (participates in β ladder)trans-108.4135.2176.4-80-17.2000110.1V247 T248 A250 V274 Y275 N276V247-D267 WeakPolarHBondContact CA-O 3.02Å; T248-D267 PolarHBondContact N-O 3.41Å; T248-D267 PolarHBondContact O-N 2.83Å; A250-D267 HydrophobicContact CB-CB 4.23Å; D267-V274 HydrophobicContact CB-CG1 3.97Å; D267-Y275 WeakPolarHBondContact CA-O 3.37Å; D267-N276 VanDerWaalsContact OD1-CA 3.31Å; D267-N276 WeakPolarHBondContact OD1-CA 3.43Å; D267-N276 WeakPolarHBondContact OD1-CB 3.44Å; D267-N276 PolarHBondContact OD1-ND2 3.16Å
268L96.6Very high91.2Very high0 Ų067.4 Ų67.40%032%0.315CS..EExtended strand (participates in β ladder)trans-113.8109.7173.3-179.6151.7000107.7L224 I239 V244 V247 T270 Y275 F277 I292L224-L268 HydrophobicContact CD2-CD1 4.21Å; I239-L268 HydrophobicContact CD1-CD2 4.47Å; I239-L268 HydrophobicContact CG2-CD2 4.09Å; V244-L268 HydrophobicContact CG1-CG 4.22Å; V244-L268 HydrophobicContact CG2-CD1 4.45Å; V244-L268 HydrophobicContact CG2-CD2 3.99Å; V244-L268 HydrophobicContact CG2-CG 4.35Å; V247-L268 HydrophobicContact CG2-CD1 4.28Å; V247-L268 HydrophobicContact CG2-CG 4.28Å; L268-T270 HydrophobicContact CD2-CG2 3.55Å; L268-Y275 HydrophobicContact CD2-CD2 3.78Å; L268-Y275 HydrophobicContact CD2-CE2 4.46Å; L268-Y275 HydrophobicContact CD2-CG 4.35Å; L268-Y275 PolarHBondContact N-O 3.06Å; L268-Y275 PolarHBondContact O-N 3.31Å; L268-F277 HydrophobicContact CB-CD2 4.08Å; L268-F277 HydrophobicContact CB-CE2 3.84Å; L268-F277 HydrophobicContact CD1-CE2 4.21Å; L268-F277 HydrophobicContact CG-CE2 4.48Å; L268-I292 HydrophobicContact CD1-CD1 4.18Å; L268-I292 HydrophobicContact CD1-CG2 3.97Å
269K96.1Very high92.2Very high93 Ų9358 Ų5840%0.40427%0.274SS..EExtended strand (participates in β ladder)trans-92.3124.6-179-175.5177.9-174.6-133.40109.3E245 S246 V274E245-K269 HydrophobicContact CB-CG 4.47Å; E245-K269 PolarHBondContact N-O 3.09Å; E245-K269 WeakPolarHBondContact OE2-CE 3.29Å; E245-K269 IonicContact OE2-NZ 3.89Å; E245-K269 PolarHBondContact OE2-NZ 3.14Å; S246-K269 PolarHBondContact N-O 3.23Å; S246-K269 PolarHBondContact O-N 2.87Å; K269-V274 HydrophobicContact CB-CG2 4.44Å; K269-V274 HydrophobicContact CG-CG2 4.12Å
270T95.3Very high92.9Very high7 Ų752.9 Ų52.94%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-114168.4168.475.60000111.2I239 D243 V244 L268 K272 R273 Y275I239-T270 HydrophobicContact CG2-CG2 3.91Å; D243-T270 CarbonylContact O-C 3.58Å; D243-T270 WeakPolarHBondContact O-CA 3.35Å; D243-T270 VanDerWaalsContact O-CB 3.23Å; D243-T270 WeakPolarHBondContact O-CB 3.15Å; V244-T270 HydrophobicContact CG2-CG2 4.11Å; L268-T270 HydrophobicContact CD2-CG2 3.55Å; T270-K272 PolarHBondContact O-N 2.86Å; T270-K272 VanDerWaalsContact O-N 3.1Å; T270-K272 PolarHBondContact OG1-N 2.93Å; T270-R273 PolarHBondContact N-O 3.27Å; T270-R273 PolarHBondContact O-N 3.3Å; T270-R273 PolarHBondContact OG1-N 3.21Å; T270-R273 PolarHBondContact OG1-O 3.46Å; T270-R273 VanDerWaalsContact OG1-O 3.08Å; T270-Y275 HydrophobicContact CG2-CD2 4Å; T270-Y275 HydrophobicContact CG2-CE2 3.68Å
271N92.4Very high93.4Very high89 Ų8953.8 Ų53.848%0.47627%0.265SS..SBendtrans-54.5-25.4172.161.76.6000114.2D243D243-N271 PolarHBondContact O-N 2.72Å; D243-N271 PolarHBondContact OD1-ND2 3.37Å
272K90.3Very high93.8Very high154 Ų15450.5 Ų50.567%0.6725%0.25SC*.SBendtrans-94.4-37.7-177-74.8154.1-173.21580112.7D243 T270D243-K272 IonicContact OD2-NZ 3.76Å; D243-K272 PolarHBondContact OD2-NZ 2.82Å; T270-K272 PolarHBondContact O-N 2.86Å; T270-K272 VanDerWaalsContact O-N 3.1Å; T270-K272 PolarHBondContact OG1-N 2.93Å
273R92.9Very high94.2Very high81 Ų8148 Ų4831%0.30625%0.246SC..  trans-170.3165.1-172.557.5-179.6-100.5-178.8-2.2112.4T270 Y275T270-R273 PolarHBondContact N-O 3.27Å; T270-R273 PolarHBondContact O-N 3.3Å; T270-R273 PolarHBondContact OG1-N 3.21Å; T270-R273 PolarHBondContact OG1-O 3.46Å; T270-R273 VanDerWaalsContact OG1-O 3.08Å; R273-Y275 HydrophobicContact CG-CD2 4.01Å; R273-Y275 HydrophobicContact CG-CE2 3.43Å; R273-Y275 VanDerWaalsContact CG-CE2 3.43Å; R273-Y275 VanDerWaalsContact NH2-CE1 3.26Å
274V93.8Very high94.5Very high72 Ų7241.6 Ų41.644%0.43622%0.222SC..EExtended strand (participates in β ladder)trans-91.7130.1165.6-173.40000109.9D267 K269D267-V274 HydrophobicContact CB-CG1 3.97Å; K269-V274 HydrophobicContact CB-CG2 4.44Å; K269-V274 HydrophobicContact CG-CG2 4.12Å
275Y95.3Very high94.6Very high26 Ų2641.6 Ų41.610%0.10222%0.222CC..EExtended strand (participates in β ladder)trans-100.2128.6170.4-64.1-101.5000108.7I239 D267 L268 T270 R273 F277I239-Y275 HydrophobicContact CD1-CD1 3.58Å; I239-Y275 HydrophobicContact CD1-CD2 4.15Å; I239-Y275 HydrophobicContact CD1-CE1 3.55Å; I239-Y275 HydrophobicContact CD1-CE2 4.14Å; I239-Y275 HydrophobicContact CD1-CG 3.91Å; I239-Y275 HydrophobicContact CG1-CD1 4.36Å; I239-Y275 HydrophobicContact CG1-CE1 3.8Å; I239-Y275 HydrophobicContact CG1-CE2 4.32Å; I239-Y275 HydrophobicContact CG2-CE2 4.26Å; D267-Y275 WeakPolarHBondContact CA-O 3.37Å; L268-Y275 HydrophobicContact CD2-CD2 3.78Å; L268-Y275 HydrophobicContact CD2-CE2 4.46Å; L268-Y275 HydrophobicContact CD2-CG 4.35Å; L268-Y275 PolarHBondContact N-O 3.06Å; L268-Y275 PolarHBondContact O-N 3.31Å; T270-Y275 HydrophobicContact CG2-CD2 4Å; T270-Y275 HydrophobicContact CG2-CE2 3.68Å; R273-Y275 HydrophobicContact CG-CD2 4.01Å; R273-Y275 HydrophobicContact CG-CE2 3.43Å; R273-Y275 VanDerWaalsContact CG-CE2 3.43Å; R273-Y275 VanDerWaalsContact NH2-CE1 3.26Å; Y275-F277 HydrophobicContact CD1-CZ 4.2Å; Y275-F277 HydrophobicContact CG-CE2 4.38Å; Y275-F277 HydrophobicContact CG-CZ 4.26Å
276N95.5Very high94.6Very high27 Ų2745.7 Ų45.714%0.14424%0.241CC..EExtended strand (participates in β ladder)trans-100.8129.4172.7-49.7163.9000108.6R203 W210 D267R203-N276 HydrophobicContact CB-CB 3.98Å; R203-N276 WeakPolarHBondContact CD-OD1 3.4Å; R203-N276 PolarHBondContact N-O 3.45Å; R203-N276 VanDerWaalsContact N-O 3.09Å; R203-N276 PolarHBondContact NH1-OD1 3.06Å; W210-N276 HydrophobicContact CH2-CB 3.87Å; W210-N276 HydrophobicContact CZ2-CB 4.35Å; D267-N276 VanDerWaalsContact OD1-CA 3.31Å; D267-N276 WeakPolarHBondContact OD1-CA 3.43Å; D267-N276 WeakPolarHBondContact OD1-CB 3.44Å; D267-N276 PolarHBondContact OD1-ND2 3.16Å
277F96.4Very high94.6Very high1 Ų148.5 Ų48.50%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-124.6155.6-179.6-65.5-61.2000111.8L200 Y201 K202 F215 I239 F265 F266 L268 Y275L200-F277 HydrophobicContact CB-CD1 4.46Å; Y201-F277 CarbonylContact O-C 3.54Å; Y201-F277 VanDerWaalsContact O-CA 3.29Å; Y201-F277 WeakPolarHBondContact O-CA 3.06Å; K202-F277 HydrophobicContact CB-CD1 3.94Å; K202-F277 HydrophobicContact CB-CE1 3.77Å; K202-F277 HydrophobicContact CD-CE1 3.94Å; K202-F277 HydrophobicContact CG-CD1 4.23Å; K202-F277 HydrophobicContact CG-CE1 3.73Å; F215-F277 AromaticContact CE1-CE1 3.9Å; F215-F277 HydrophobicContact CE1-CE1 3.9Å; F215-F277 HydrophobicContact CE1-CZ 4.07Å; F215-F277 HydrophobicContact CE2-CE1 4.12Å; F215-F277 HydrophobicContact CZ-CD1 4.32Å; F215-F277 AromaticContact CZ-CE1 3.46Å; F215-F277 HydrophobicContact CZ-CE1 3.46Å; F215-F277 VanDerWaalsContact CZ-CE1 3.46Å; F215-F277 HydrophobicContact CZ-CZ 4.08Å; I239-F277 HydrophobicContact CD1-CE2 4.35Å; I239-F277 HydrophobicContact CD1-CZ 3.81Å; F265-F277 WeakPolarHBondContact CA-O 3.5Å; F266-F277 HydrophobicContact CD1-CB 4.02Å; F266-F277 HydrophobicContact CD2-CB 4.1Å; F266-F277 HydrophobicContact CD2-CD2 4.16Å; F266-F277 HydrophobicContact CE1-CB 3.58Å; F266-F277 HydrophobicContact CE2-CB 3.69Å; F266-F277 AromaticContact CE2-CD2 3.5Å; F266-F277 HydrophobicContact CE2-CD2 3.5Å; F266-F277 HydrophobicContact CE2-CE2 4.49Å; F266-F277 AromaticContact CE2-CG 3.97Å; F266-F277 HydrophobicContact CE2-CG 3.97Å; F266-F277 HydrophobicContact CG-CB 4.27Å; F266-F277 HydrophobicContact CZ-CB 3.41Å; F266-F277 VanDerWaalsContact CZ-CB 3.41Å; F266-F277 AromaticContact CZ-CD2 3.92Å; F266-F277 HydrophobicContact CZ-CD2 3.92Å; F266-F277 AromaticContact CZ-CG 3.92Å; F266-F277 HydrophobicContact CZ-CG 3.92Å; F266-F277 PolarHBondContact N-O 3.08Å; F266-F277 PolarHBondContact O-N 2.87Å; L268-F277 HydrophobicContact CB-CD2 4.08Å; L268-F277 HydrophobicContact CB-CE2 3.84Å; L268-F277 HydrophobicContact CD1-CE2 4.21Å; L268-F277 HydrophobicContact CG-CE2 4.48Å; Y275-F277 HydrophobicContact CD1-CZ 4.2Å; Y275-F277 HydrophobicContact CG-CE2 4.38Å; Y275-F277 HydrophobicContact CG-CZ 4.26Å
278C94.9Very high94.6Very high0 Ų046.9 Ų46.90%025%0.249CC..EExtended strand (participates in β ladder)trans-142.2124.9174.3173.70000108.5Y201 W210 A264 F265Y201-C278 PolarHBondContact N-O 3.4Å; Y201-C278 PolarHBondContact O-N 3.18Å; W210-C278 HydrophobicContact CE3-CB 4.26Å; W210-C278 HydrophobicContact CH2-CB 4.26Å; W210-C278 HydrophobicContact CZ3-CB 3.66Å; A264-C278 WeakPolarHBondContact O-CA 3.39Å; F265-C278 HydrophobicContact CD1-CB 3.63Å; F265-C278 HydrophobicContact CE1-CB 3.55Å; F265-C278 WeakPolarHBondContact CE1-SG 3.5Å; F265-C278 HydrophobicContact CG-CB 4.4Å; F265-C278 HydrophobicContact CZ-CB 4.28Å; F265-C278 VanDerWaalsContact CZ-SG 3.59Å
279A95.5Very high94.6Very high1 Ų147.1 Ų47.11%0.00825%0.25CC..  trans-86.5179.8171.700000110.8L200 A264 D281 A285L200-A279 HydrophobicContact CD2-CB 3.94Å; A264-A279 PolarHBondContact O-N 2.96Å; A279-D281 VanDerWaalsContact C-N 3.3Å; A279-A285 HydrophobicContact CB-CB 3.84Å
280S92.4Very high94.5Very high83 Ų8346.4 Ų46.458%0.5825%0.251SS*.SBendtrans-64.6-34.1173.840.80000113.1
281D92.6Very high94.5Very high57 Ų5749.6 Ų49.631%0.30526%0.264SS..SBendtrans-158.5164.4-169.760.7-58.9000110.8A279 P283 S284 A285A279-D281 VanDerWaalsContact C-N 3.3Å; D281-P283 VanDerWaalsContact OD2-CD 3.23Å; D281-P283 WeakPolarHBondContact OD2-CD 3.41Å; D281-S284 VanDerWaalsContact CG-OG 3.31Å; D281-S284 PolarHBondContact O-N 3.19Å; D281-S284 WeakPolarHBondContact OD1-CB 3.35Å; D281-S284 PolarHBondContact OD1-OG 2.97Å; D281-S284 PolarHBondContact OD2-N 3.32Å; D281-S284 PolarHBondContact OD2-OG 3.17Å; D281-A285 PolarHBondContact O-N 3.45Å
282A92.9Very high94.6Very high19 Ų1945.3 Ų45.316%0.15724%0.241CC..Hα-helixtrans-63.7-43.4-176.300000114K263 S284 A285 Q286K263-A282 HydrophobicContact CB-CB 3.56Å; A282-S284 PolarHBondContact O-N 2.84Å; A282-A285 PolarHBondContact O-N 3.07Å; A282-Q286 PolarHBondContact O-N 3.43Å
283P95.1Very high94.8Very high89 Ų8941.6 Ų41.658%0.57823%0.226SC*.Hα-helixtrans-56.1-48.1171.7-25.332000113D281 A285 Q286 V287D281-P283 VanDerWaalsContact OD2-CD 3.23Å; D281-P283 WeakPolarHBondContact OD2-CD 3.41Å; P283-A285 VanDerWaalsContact C-N 3.33Å; P283-A285 PolarHBondContact O-N 2.9Å; P283-Q286 WeakPolarHBondContact O-CB 3.29Å; P283-Q286 PolarHBondContact O-N 2.88Å; P283-Q286 VanDerWaalsContact O-N 3.14Å; P283-V287 WeakPolarHBondContact O-CG2 3.39Å; P283-V287 PolarHBondContact O-N 2.95Å
284S94.9Very high94.7Very high30 Ų3040.7 Ų40.721%0.2123%0.232CC..Hα-helixtrans-62.2-39.5178.7-62.90000112.6D281 A282 Q286 V287 W288D281-S284 VanDerWaalsContact CG-OG 3.31Å; D281-S284 PolarHBondContact O-N 3.19Å; D281-S284 WeakPolarHBondContact OD1-CB 3.35Å; D281-S284 PolarHBondContact OD1-OG 2.97Å; D281-S284 PolarHBondContact OD2-N 3.32Å; D281-S284 PolarHBondContact OD2-OG 3.17Å; A282-S284 PolarHBondContact O-N 2.84Å; S284-Q286 VanDerWaalsContact C-N 3.31Å; S284-Q286 PolarHBondContact O-N 2.92Å; S284-V287 PolarHBondContact O-N 3.13Å; S284-W288 VanDerWaalsContact O-CD1 3.23Å; S284-W288 PolarHBondContact O-N 2.99Å
285A95.6Very high94.5Very high0 Ų037.6 Ų37.60%021%0.213CC..Hα-helixtrans-60.4-42.3174.400000111.8A264 F266 A279 D281 A282 P283 W288 M289A264-A285 WeakPolarHBondContact O-CB 3.42Å; F266-A285 HydrophobicContact CD1-CB 4.21Å; A279-A285 HydrophobicContact CB-CB 3.84Å; D281-A285 PolarHBondContact O-N 3.45Å; A282-A285 PolarHBondContact O-N 3.07Å; P283-A285 VanDerWaalsContact C-N 3.33Å; P283-A285 PolarHBondContact O-N 2.9Å; A285-W288 PolarHBondContact O-N 3.36Å; A285-M289 WeakPolarHBondContact O-CG 3.35Å; A285-M289 PolarHBondContact O-N 3.02Å
286Q95.9Very high94.2Very high90 Ų9038.3 Ų38.342%0.42122%0.22SC..Hα-helixtrans-61.7-46.6176.9-167.862.647.900111.7A282 P283 S284 W288 M289 D290A282-Q286 PolarHBondContact O-N 3.43Å; P283-Q286 WeakPolarHBondContact O-CB 3.29Å; P283-Q286 PolarHBondContact O-N 2.88Å; P283-Q286 VanDerWaalsContact O-N 3.14Å; S284-Q286 VanDerWaalsContact C-N 3.31Å; S284-Q286 PolarHBondContact O-N 2.92Å; Q286-W288 VanDerWaalsContact C-N 3.31Å; Q286-W288 PolarHBondContact O-N 3.33Å; Q286-M289 PolarHBondContact O-N 2.89Å; Q286-M289 VanDerWaalsContact O-N 3.13Å; Q286-D290 PolarHBondContact NE2-OD1 3.26Å; Q286-D290 PolarHBondContact O-N 3.37Å
287V95.9Very high93.5Very high58 Ų5841.5 Ų41.535%0.35225%0.245SC..Hα-helixtrans-59.9-41.6177.51760000111.7Y196 P283 S284 K291Y196-V287 HydrophobicContact CE1-CG1 3.92Å; Y196-V287 HydrophobicContact CE2-CG1 4.25Å; P283-V287 WeakPolarHBondContact O-CG2 3.39Å; P283-V287 PolarHBondContact O-N 2.95Å; S284-V287 PolarHBondContact O-N 3.13Å; V287-K291 HydrophobicContact CG1-CD 4.26Å; V287-K291 HydrophobicContact CG1-CG 4.44Å; V287-K291 WeakPolarHBondContact O-CB 3.5Å; V287-K291 WeakPolarHBondContact O-CG 3.47Å; V287-K291 PolarHBondContact O-N 2.91Å
288W96.4Very high92.1Very high7 Ų747.3 Ų47.33%0.02728%0.276CS..Hα-helixtrans-60.4-47.1174.2-87.4107.2000112.1Y196 L200 F215 L217 L224 F266 S284 A285 Q286 I292Y196-W288 AromaticContact CD1-CD2 3.65Å; Y196-W288 HydrophobicContact CD1-CD2 3.65Å; Y196-W288 AromaticContact CD1-CE2 3.71Å; Y196-W288 AromaticContact CD1-CE3 3.62Å; Y196-W288 HydrophobicContact CD1-CE3 3.62Å; Y196-W288 HydrophobicContact CD1-CG 4.34Å; Y196-W288 AromaticContact CD1-CH2 3.8Å; Y196-W288 HydrophobicContact CD1-CH2 3.8Å; Y196-W288 AromaticContact CD1-CZ2 3.81Å; Y196-W288 HydrophobicContact CD1-CZ2 3.81Å; Y196-W288 AromaticContact CD1-CZ3 3.7Å; Y196-W288 HydrophobicContact CD1-CZ3 3.7Å; Y196-W288 AromaticContact CE1-CD1 3.77Å; Y196-W288 AromaticContact CE1-CD2 3.43Å; Y196-W288 HydrophobicContact CE1-CD2 3.43Å; Y196-W288 VanDerWaalsContact CE1-CD2 3.43Å; Y196-W288 AromaticContact CE1-CE2 3.35Å; Y196-W288 AromaticContact CE1-CE3 3.93Å; Y196-W288 HydrophobicContact CE1-CE3 3.93Å; Y196-W288 AromaticContact CE1-CG 3.73Å; Y196-W288 HydrophobicContact CE1-CG 3.73Å; Y196-W288 HydrophobicContact CE1-CH2 4.27Å; Y196-W288 AromaticContact CE1-CZ2 3.82Å; Y196-W288 HydrophobicContact CE1-CZ2 3.82Å; Y196-W288 HydrophobicContact CE1-CZ3 4.32Å; Y196-W288 AromaticContact CE1-NE1 3.55Å; L200-W288 HydrophobicContact CD1-CD2 3.83Å; L200-W288 HydrophobicContact CD1-CE3 4.08Å; L200-W288 HydrophobicContact CD1-CG 4.26Å; L200-W288 HydrophobicContact CD1-CH2 4.48Å; L200-W288 HydrophobicContact CD1-CZ2 4.25Å; L200-W288 HydrophobicContact CD1-CZ3 4.4Å; L200-W288 HydrophobicContact CD2-CD2 4.27Å; L200-W288 HydrophobicContact CD2-CG 4.03Å; L200-W288 HydrophobicContact CG-CD2 4.27Å; L200-W288 HydrophobicContact CG-CZ2 4.25Å; F215-W288 HydrophobicContact CB-CH2 3.77Å; F215-W288 HydrophobicContact CB-CZ2 4.27Å; F215-W288 HydrophobicContact CB-CZ3 4.37Å; L217-W288 HydrophobicContact CB-CZ3 4.34Å; L224-W288 HydrophobicContact CD1-CZ3 3.94Å; F266-W288 HydrophobicContact CE1-CB 4.19Å; F266-W288 HydrophobicContact CZ-CB 4.02Å; S284-W288 VanDerWaalsContact O-CD1 3.23Å; S284-W288 PolarHBondContact O-N 2.99Å; A285-W288 PolarHBondContact O-N 3.36Å; Q286-W288 VanDerWaalsContact C-N 3.31Å; Q286-W288 PolarHBondContact O-N 3.33Å; W288-I292 HydrophobicContact CE3-CD1 4.21Å; W288-I292 WeakPolarHBondContact O-CB 3.47Å; W288-I292 WeakPolarHBondContact O-CD1 3.44Å; W288-I292 WeakPolarHBondContact O-CG1 3.23Å; W288-I292 PolarHBondContact O-N 3.46Å
289M95.9Very high90.2Very high5 Ų553 Ų533%0.02532%0.323CS..Hα-helixtrans-61.4-49.4179.1-69.2-171.6-71.900111.7V247 P249 F266 A285 Q286 K291 I292 Q293V247-M289 HydrophobicContact CG1-CB 4Å; V247-M289 HydrophobicContact CG1-CG 3.66Å; V247-M289 HydrophobicContact CG1-SD 4.36Å; P249-M289 HydrophobicContact CG-CE 4.21Å; P249-M289 HydrophobicContact CG-SD 4.16Å; F266-M289 HydrophobicContact CB-CE 4.49Å; F266-M289 HydrophobicContact CB-CG 3.79Å; F266-M289 HydrophobicContact CB-SD 3.42Å; F266-M289 WeakPolarHBondContact CB-SD 3.43Å; F266-M289 HydrophobicContact CD1-CG 4.3Å; F266-M289 HydrophobicContact CD2-CG 3.9Å; F266-M289 HydrophobicContact CG-CG 3.75Å; F266-M289 HydrophobicContact CG-SD 4.09Å; A285-M289 WeakPolarHBondContact O-CG 3.35Å; A285-M289 PolarHBondContact O-N 3.02Å; Q286-M289 PolarHBondContact O-N 2.89Å; Q286-M289 VanDerWaalsContact O-N 3.13Å; M289-K291 PolarHBondContact O-N 3.06Å; M289-I292 PolarHBondContact O-N 3.14Å; M289-Q293 WeakPolarHBondContact O-CB 3.36Å; M289-Q293 VanDerWaalsContact O-CG 3.29Å; M289-Q293 WeakPolarHBondContact O-CG 3.46Å; M289-Q293 PolarHBondContact O-N 3.47Å
290D95.2Very high89.9Confident79 Ų7955.6 Ų55.642%0.42234%0.338SS..Hα-helixtrans-60.6-45.6-177.6-64.3-13.6000111.1Q286 Q293 S294Q286-D290 PolarHBondContact NE2-OD1 3.26Å; Q286-D290 PolarHBondContact O-N 3.37Å; D290-Q293 PolarHBondContact O-N 3.4Å; D290-S294 PolarHBondContact O-N 3.01Å
291K94.3Very high89.8Confident73 Ų7354.1 Ų54.132%0.31733%0.326SS..Hα-helixtrans-64.9-43.1178.9-74.4-168.1173.5-167.40112.5S195 Y196 L217 V287 M289 S294 C295S195-K291 PolarHBondContact O-NZ 2.66Å; S195-K291 VanDerWaalsContact O-NZ 3.08Å; Y196-K291 HydrophobicContact CD1-CD 3.67Å; Y196-K291 HydrophobicContact CD2-CD 4.03Å; Y196-K291 HydrophobicContact CE1-CD 4.33Å; Y196-K291 HydrophobicContact CG-CD 3.48Å; Y196-K291 VanDerWaalsContact CG-CD 3.48Å; L217-K291 HydrophobicContact CD2-CB 3.81Å; V287-K291 HydrophobicContact CG1-CD 4.26Å; V287-K291 HydrophobicContact CG1-CG 4.44Å; V287-K291 WeakPolarHBondContact O-CB 3.5Å; V287-K291 WeakPolarHBondContact O-CG 3.47Å; V287-K291 PolarHBondContact O-N 2.91Å; M289-K291 PolarHBondContact O-N 3.06Å; K291-S294 PolarHBondContact O-N 3.35Å; K291-C295 PolarHBondContact O-N 3.49Å; K291-C295 PolarHBondContact O-SG 3.02Å
292I95Very high89.6Confident0 Ų053.9 Ų53.90%033%0.327CS..Hα-helixtrans-64.6-43.9177.2-65.6164.7000110L217 L224 L241 V247 F266 L268 W288 M289 S294 C295 V296L217-I292 HydrophobicContact CD1-CG1 4.33Å; L224-I292 HydrophobicContact CD2-CD1 3.96Å; L241-I292 HydrophobicContact CD2-CG2 4.1Å; V247-I292 HydrophobicContact CG2-CB 4.42Å; V247-I292 HydrophobicContact CG2-CG2 3.74Å; F266-I292 HydrophobicContact CE2-CD1 4.35Å; L268-I292 HydrophobicContact CD1-CD1 4.18Å; L268-I292 HydrophobicContact CD1-CG2 3.97Å; W288-I292 HydrophobicContact CE3-CD1 4.21Å; W288-I292 WeakPolarHBondContact O-CB 3.47Å; W288-I292 WeakPolarHBondContact O-CD1 3.44Å; W288-I292 WeakPolarHBondContact O-CG1 3.23Å; W288-I292 PolarHBondContact O-N 3.46Å; M289-I292 PolarHBondContact O-N 3.14Å; I292-S294 PolarHBondContact O-N 3.05Å; I292-C295 PolarHBondContact O-N 3.37Å; I292-V296 WeakPolarHBondContact O-CG2 3.1Å; I292-V296 PolarHBondContact O-N 3.37Å; I292-V296 VanDerWaalsContact O-N 3.14Å
293Q94.1Very high89.4Confident76 Ų7656 Ų5636%0.35534%0.337SS..Hα-helixtrans-62.7-38.9178.5-75.2177.4-10.400112.8V247 M289 D290 C295 V296 S297V247-Q293 HydrophobicContact CB-CG 3.96Å; V247-Q293 HydrophobicContact CG2-CG 4.23Å; V247-Q293 PolarHBondContact O-NE2 2.8Å; M289-Q293 WeakPolarHBondContact O-CB 3.36Å; M289-Q293 VanDerWaalsContact O-CG 3.29Å; M289-Q293 WeakPolarHBondContact O-CG 3.46Å; M289-Q293 PolarHBondContact O-N 3.47Å; D290-Q293 PolarHBondContact O-N 3.4Å; Q293-C295 VanDerWaalsContact C-N 3.32Å; Q293-C295 PolarHBondContact O-N 3.32Å; Q293-V296 PolarHBondContact O-N 3.5Å; Q293-S297 WeakPolarHBondContact O-CB 3.23Å; Q293-S297 PolarHBondContact O-N 2.59Å; Q293-S297 PolarHBondContact O-OG 2.99Å
294S91.8Very high89.1Confident61 Ų6153.9 Ų53.943%0.42732%0.322SS..Hα-helixtrans-56.7-47.5173.3-169.60000110.9D290 K291 I292 V296 S297 D298D290-S294 PolarHBondContact O-N 3.01Å; K291-S294 PolarHBondContact O-N 3.35Å; I292-S294 PolarHBondContact O-N 3.05Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 3.35Å; S294-S297 PolarHBondContact O-N 2.79Å; S294-S297 VanDerWaalsContact O-N 3.17Å; S294-D298 VanDerWaalsContact O-CG 3.29Å; S294-D298 PolarHBondContact O-N 3.13Å; S294-D298 VanDerWaalsContact O-N 3.07Å
295C88.9Confident88.7Confident7 Ų755.5 Ų55.55%0.04733%0.329CS..Hα-helixtrans-67.9-24.4-179.5-58.10000114.4H222 L241 K291 I292 Q293H222-C295 PolarHBondContact ND1-O 2.87Å; L241-C295 HydrophobicContact CD1-CB 3.67Å; K291-C295 PolarHBondContact O-N 3.49Å; K291-C295 PolarHBondContact O-SG 3.02Å; I292-C295 PolarHBondContact O-N 3.37Å; Q293-C295 VanDerWaalsContact C-N 3.32Å; Q293-C295 PolarHBondContact O-N 3.32Å
296V88.9Confident88.2Confident41 Ų4159.5 Ų59.525%0.24835%0.353CS..Hα-helixtrans-81.3-32175.3175.40000110.7L241 V244 I292 Q293 S294L241-V296 HydrophobicContact CB-CG2 4.46Å; V244-V296 HydrophobicContact CB-CG2 3.87Å; V244-V296 HydrophobicContact CG1-CG2 3.96Å; I292-V296 WeakPolarHBondContact O-CG2 3.1Å; I292-V296 PolarHBondContact O-N 3.37Å; I292-V296 VanDerWaalsContact O-N 3.14Å; Q293-V296 PolarHBondContact O-N 3.5Å; S294-V296 VanDerWaalsContact C-N 3.27Å; S294-V296 PolarHBondContact O-N 3.35Å
297S81.6Confident87.6Confident94 Ų9457.2 Ų57.266%0.65735%0.347SS*.Hα-helixtrans-80-25.8-179-52.80000113.3Q293 S294 A299Q293-S297 WeakPolarHBondContact O-CB 3.23Å; Q293-S297 PolarHBondContact O-N 2.59Å; Q293-S297 PolarHBondContact O-OG 2.99Å; S294-S297 PolarHBondContact O-N 2.79Å; S294-S297 VanDerWaalsContact O-N 3.17Å; S297-A299 VanDerWaalsContact C-N 3.3Å
298D66.6Low86.9Confident124 Ų12457.1 Ų57.166%0.66335%0.347SS*.THydrogen-bonded Turntrans-82.6-1.4179.7-68.6-25.5000113.8S294S294-D298 VanDerWaalsContact O-CG 3.29Å; S294-D298 PolarHBondContact O-N 3.13Å; S294-D298 VanDerWaalsContact O-N 3.07Å
299A54.3Low86Confident118 Ų11861.6 Ų61.698%0.97538%0.376SS*.  trans-99.50179.700000112.2S297S297-A299 VanDerWaalsContact C-N 3.3Å

Retrieved 299 of 299 residues in 576.7 ms (Link to these results)