A0A077Z8U0_TRITR Loading...

Zf-rbx1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8U0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 312 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
1M32.6Very low34Very low230 Ų230153.5 Ų153.5100%1.13386%0.863SS**  0110.20-64.7164.9175.200104.6
2D38.4Very low33.5Very low153 Ų153154 Ų15482%0.81886%0.862SS**  cis-152.6173.38.9-82.1-53.1000111
3K36.4Very low33.6Very low201 Ų201157.5 Ų157.587%0.87487%0.868SS**  trans-54.2151.3-161.9-74.4163173.31730119.4
4F27.5Very low33.4Very low201 Ų201160.5 Ų160.588%0.88287%0.872SS**  trans-52.3163.9155.7-96.2-102.1000116.3
5S33.8Very low33.2Very low107 Ų107155.1 Ų155.175%0.74887%0.869SS**  trans96.4114.6149.5-69.50000118.4
6S40.9Very low33.1Very low119 Ų119157.7 Ų157.783%0.83287%0.868SS**  -162.8120.797.169.60000111.4
7S31Very low33.2Very low120 Ų120155.2 Ų155.284%0.83987%0.865SS**  trans-81.1145.9166.9-51.40000110.4
8G33.7Very low33.3Very low80 Ų80153.3 Ų153.383%0.82586%0.858SS**  trans-154.584.8168.800000109.6
9E31.7Very low33.4Very low178 Ų178149.5 Ų149.583%0.83285%0.848SS**  trans-79.2118.9172.9-71.4173.311500109.7
10A33.3Very low33.5Very low104 Ų104150 Ų15086%0.8685%0.848SS**  trans-89.7121.816500000108.6
11K34.5Very low33.8Very low196 Ų196150.5 Ų150.585%0.85284%0.843SS**  trans-105.5135.4173.7-84.2-175.8175.6176.70110.9
12D28Very low34Very low159 Ų159147.3 Ų147.385%0.8583%0.831SS**  trans-52.3140.8168.3-77.5-57.5000114.2
13E34.5Very low34.4Very low200 Ų200144.8 Ų144.894%0.93583%0.831SS**  trans-140.1149.7145.1-78.6-162.315400111.6
14Q30.6Very low34.8Very low199 Ų199139.9 Ų139.993%0.9383%0.828SS**  trans-84.1151.9-154-68.4154-11.900114.8
15G31.7Very low35.9Very low80 Ų80139 Ų13983%0.82582%0.824SS**  trans-160.568.7166.200000111.8S17G15-S17 PolarHBondContact O-N 3.02Å
16K31Very low36.5Very low196 Ų196139.2 Ų139.285%0.85282%0.823SS**  trans-71.5102.2-177.4-176.3175.6-176.4174.80111.2
17S34.7Very low36.9Very low116 Ų116145.1 Ų145.181%0.81183%0.827SS**  trans-86.1108.5162.360.40000109.3G15G15-S17 PolarHBondContact O-N 3.02Å
18T35.3Very low37.5Very low121 Ų121148.6 Ų148.674%0.74283%0.827SS**  trans-60.4129.7-179.641.40000112.7
19A34.8Very low37.8Very low81 Ų81152.4 Ų152.467%0.66982%0.824SS**  trans-57.4131.2173.300000112.2E21A19-E21 HydrophobicContact CB-CG 4.2Å; A19-E21 PolarHBondContact O-N 3.18Å
20N35.5Very low39.1Very low158 Ų158149.7 Ų149.785%0.84581%0.814SS**  trans-86.385.2160.6-171.54000107.8N22N20-N22 PolarHBondContact O-N 2.99Å
21E39Very low40.2Very low162 Ų162154.2 Ų154.276%0.75781%0.814SS**  trans-74105.1166.7-64.4-178.4161.800108.2A19A19-E21 HydrophobicContact CB-CG 4.2Å; A19-E21 PolarHBondContact O-N 3.18Å
22N38.5Very low40.4Very low162 Ų162151.6 Ų151.687%0.86681%0.805SS**  trans175.640.4148.3-90.5-35.4000113.6N20 A24N20-N22 PolarHBondContact O-N 2.99Å; N22-A24 PolarHBondContact O-N 2.87Å
23A45.5Very low42.1Very low101 Ų101153.6 Ų153.684%0.83580%0.8SS**  trans-88.2100.316300000108.8K25A23-K25 PolarHBondContact O-N 2.87Å
24A46.1Very low42.5Very low98 Ų98150.6 Ų150.681%0.8179%0.79SS**  trans-46.2115.8-18000000112.5N22N22-A24 PolarHBondContact O-N 2.87Å
25K49.2Very low43.7Very low181 Ų181145 Ų14579%0.78779%0.787SS**  trans-58.9132.5173.9-104.1-178.1175.5-170.60110.5A23A23-K25 PolarHBondContact O-N 2.87Å
26P47.1Very low44.2Very low112 Ų112147.1 Ų147.173%0.72778%0.783SS**  trans-65136.8175.324.9-31.4000111.2F28P26-F28 PolarHBondContact O-N 3.28Å
27R48.8Very low44.4Very low244 Ų244142.5 Ų142.592%0.92178%0.782SS**SBendtrans-66.54.9-172-78.8-168.2178.9-111.82.6116.2
28F43.5Very low44.3Very low193 Ų193145.4 Ų145.485%0.84678%0.784SS**  trans-126.4111.4-177.9-75.9-79.6000110.3P26P26-F28 PolarHBondContact O-N 3.28Å
29E40.8Very low45Very low159 Ų159149.6 Ų149.674%0.74379%0.787SS**  trans-124.7112.9171.6-164.6171.7-156.200107.4K31E29-K31 PolarHBondContact O-N 2.95Å; E29-K31 VanDerWaalsContact O-N 3.15Å
30I58.1Low45Very low122 Ų122150 Ų15063%0.62679%0.79SS**  trans-73.6106.3178.5-58.4172000107.1W33I30-W33 HydrophobicContact CD1-CZ2 3.92Å; I30-W33 HydrophobicContact CG2-CZ2 4.32Å
31K57.1Low45.1Very low198 Ų198151.6 Ų151.686%0.86179%0.785SS**  trans-69-38.8-171.2-78.6-172.6172.4-177.30114E29E29-K31 PolarHBondContact O-N 2.95Å; E29-K31 VanDerWaalsContact O-N 3.15Å
32H37.6Very low45.3Very low142 Ų142149.8 Ų149.866%0.65778%0.78SS**  trans-169.6147.2177.9-173.361.5000110.4N34H32-N34 PolarHBondContact CD2-OD1 3.28Å; H32-N34 PolarHBondContact NE2-OD1 3.19Å
33W64Low45.8Very low201 Ų201144.8 Ų144.876%0.76175%0.753SS**  trans-103.8122.7172.1-6987.8000108.6I30I30-W33 HydrophobicContact CD1-CZ2 3.92Å; I30-W33 HydrophobicContact CG2-CZ2 4.32Å
34N43.4Very low46.2Very low136 Ų136145.2 Ų145.273%0.72774%0.741SS**  trans-96.4108.5167-80.1-41.9000108.6H32 V36H32-N34 PolarHBondContact CD2-OD1 3.28Å; H32-N34 PolarHBondContact NE2-OD1 3.19Å; N34-V36 PolarHBondContact O-N 3.14Å
35G56.3Low46.9Very low83 Ų83144 Ų14486%0.85672%0.724SS**  trans-73.4113.3168.500000109.3
36V42.8Very low48Very low124 Ų124139.4 Ų139.475%0.75271%0.707SS**  trans-107.5116.4170-178.60000107.3N34 M38N34-V36 PolarHBondContact O-N 3.14Å; V36-M38 HydrophobicContact CG1-CG 4.35Å
37A33.5Very low49.6Very low99 Ų99136.8 Ų136.882%0.81869%0.687SS**  trans-101.1132.1169.200000108.3
38M34Very low51.3Low176 Ų176125.1 Ų125.187%0.86764%0.643SS**  trans-121.4142.2164.5-56.8-168.5-37.800107.5V36V36-M38 HydrophobicContact CG1-CG 4.35Å
39W48.8Very low53Low209 Ų209119.1 Ų119.179%0.79263%0.63SS**  trans-120.7144.8174.668.4-84.1000108.6W41W39-W41 AromaticContact CZ3-CE2 4Å; W39-W41 HydrophobicContact CZ3-CZ2 4.44Å; W39-W41 AromaticContact CZ3-NE1 3.62Å
40A34.9Very low55Low90 Ų90114.3 Ų114.374%0.74461%0.611SS**  trans-142.8152.9170.700000107.3
41W38.9Very low56.3Low191 Ų191109.3 Ų109.372%0.72359%0.586SS**  trans-65.2145169.5-67.9103.5000109.5W39 I43W39-W41 AromaticContact CZ3-CE2 4Å; W39-W41 HydrophobicContact CZ3-CZ2 4.44Å; W39-W41 AromaticContact CZ3-NE1 3.62Å; W41-I43 VanDerWaalsContact C-N 3.27Å; W41-I43 HydrophobicContact CB-CD1 4.14Å; W41-I43 HydrophobicContact CB-CG1 3.97Å; W41-I43 PolarHBondContact O-N 3.41Å
42D43.2Very low57.5Low124 Ų124106.9 Ų106.966%0.66357%0.572SS**  trans-68.388.4174.1-168.326.2000108.7
43I48.5Very low59.5Low57 Ų57101.6 Ų101.629%0.29255%0.548SS..  trans-109.5106.9-178.7-62.2170.3000106.2W41 V45 W78W41-I43 VanDerWaalsContact C-N 3.27Å; W41-I43 HydrophobicContact CB-CD1 4.14Å; W41-I43 HydrophobicContact CB-CG1 3.97Å; W41-I43 PolarHBondContact O-N 3.41Å; I43-V45 WeakPolarHBondContact CG2-O 3.34Å; I43-V45 PolarHBondContact O-N 3.39Å; I43-W78 HydrophobicContact CG1-CH2 4.17Å
44D54.2Low60.3Low111 Ų11195.6 Ų95.659%0.59453%0.529SS*.SBendtrans-62.4-28.1174.5-79.8-42.1000111.7
45V60.4Low62Low73 Ų7389.6 Ų89.644%0.44250%0.497SS..  trans-151.3118.9-178.9-170.80000111.9I43 N47I43-V45 WeakPolarHBondContact CG2-O 3.34Å; I43-V45 PolarHBondContact O-N 3.39Å; V45-N47 HydrophobicContact CG1-CB 4.09Å; V45-N47 WeakPolarHBondContact CG1-O 3.33Å; V45-N47 PolarHBondContact O-N 3.35Å
46D72.1Confident63Low83 Ų8393.3 Ų93.344%0.44449%0.494SS..SBendtrans-69.2-7.7177.7-77.5-44.1000114.6H54 I55D46-H54 CarbonylContact O-C 3.42Å; D46-H54 PolarHBondContact O-ND1 3.25Å; D46-I55 WeakPolarHBondContact O-CB 3.14Å; D46-I55 WeakPolarHBondContact O-CG2 3.22Å; D46-I55 PolarHBondContact O-N 2.91Å
47N81.5Confident64.7Low57 Ų5792.6 Ų92.631%0.30548%0.482SS..BIsolated β-bridgetrans-110.6132.1-175.1-61.8-25.8000110.7V45 A49 N53V45-N47 HydrophobicContact CG1-CB 4.09Å; V45-N47 WeakPolarHBondContact CG1-O 3.33Å; V45-N47 PolarHBondContact O-N 3.35Å; N47-A49 PolarHBondContact O-N 2.66Å; N47-A49 VanDerWaalsContact O-N 3.14Å; N47-N53 CarbonylContact C-O 3.6Å; N47-N53 WeakPolarHBondContact CA-O 3.49Å
48C83.3Confident66.9Low0 Ų091.6 Ų91.60%046%0.463CS..  trans-61117.2173.3171.20000109.6V50 C51 R52 N53 I55 H86C48-V50 PolarHBondContact O-N 3.46Å; C48-C51 VanDerWaalsContact CB-SG 3.55Å; C48-C51 PolarHBondContact O-N 3.24Å; C48-R52 VanDerWaalsContact O-CA 3.22Å; C48-R52 WeakPolarHBondContact O-CA 3.2Å; C48-R52 PolarHBondContact O-N 2.78Å; C48-N53 PolarHBondContact N-O 3Å; C48-I55 HydrophobicContact CB-CD1 4.28Å; C48-H86 VanDerWaalsContact CB-CE1 3.49Å; C48-H86 WeakPolarHBondContact CB-CE1 3.34Å; C48-H86 WeakPolarHBondContact CB-ND1 3.37Å; C48-H86 PolarHBondContact SG-N 3.41Å; C48-H86 VanDerWaalsContact SG-N 3.43Å; C48-H86 PolarHBondContact SG-ND1 3.5Å
49A80.3Confident69.3Low67 Ų6783.2 Ų83.255%0.55442%0.421SS*.THydrogen-bonded Turntrans-66.1-14.6-172.300000114.7N47 F85N47-A49 PolarHBondContact O-N 2.66Å; N47-A49 VanDerWaalsContact O-N 3.14Å; A49-F85 HydrophobicContact CB-CD1 4.45Å; A49-F85 HydrophobicContact CB-CE1 3.9Å
50V81.6Confident70.9Confident57 Ų5777.4 Ų77.435%0.34541%0.405SS..THydrogen-bonded Turntrans-87.7-44.7178.5176.70000111.9C48 F85 C89C48-V50 PolarHBondContact O-N 3.46Å; V50-F85 HydrophobicContact CG2-CD1 3.9Å; V50-F85 HydrophobicContact CG2-CE1 4.24Å; V50-C89 HydrophobicContact CB-CB 3.74Å; V50-C89 HydrophobicContact CG1-CB 3.69Å; V50-C89 HydrophobicContact CG2-CB 4.39Å
51C85.6Confident72.9Confident17 Ų1777 Ų7712%0.11539%0.387CS..THydrogen-bonded Turntrans-104.1-13.9-177.474.40000114C48 N53 I60 H86C48-C51 VanDerWaalsContact CB-SG 3.55Å; C48-C51 PolarHBondContact O-N 3.24Å; C51-N53 PolarHBondContact O-N 2.93Å; C51-N53 PolarHBondContact SG-N 3.02Å; C51-I60 HydrophobicContact CB-CD1 4.03Å; C51-I60 HydrophobicContact CB-CG1 4.06Å; C51-I60 WeakPolarHBondContact O-CD1 3.37Å; C51-H86 PolarHBondContact SG-CE1 3.17Å; C51-H86 PolarHBondContact SG-ND1 2.97Å
52R82.8Confident74.9Confident147 Ų14768.6 Ų68.656%0.55536%0.358SS*.  trans63.66.6-177.5-51.6179.7175.6-163.7-7.8116C48 E255C48-R52 VanDerWaalsContact O-CA 3.22Å; C48-R52 WeakPolarHBondContact O-CA 3.2Å; C48-R52 PolarHBondContact O-N 2.78Å; R52-E255 IonicContact NH1-OE2 2.74Å
53N80.2Confident76.7Confident31 Ų3168.6 Ų68.617%0.16635%0.354CS..SBendtrans-77.1161.4167-77.32.1000110.5N47 C48 C51 L58 Q63N47-N53 CarbonylContact C-O 3.6Å; N47-N53 WeakPolarHBondContact CA-O 3.49Å; C48-N53 PolarHBondContact N-O 3Å; C51-N53 PolarHBondContact O-N 2.93Å; C51-N53 PolarHBondContact SG-N 3.02Å; N53-L58 PolarHBondContact ND2-O 3.4Å; N53-Q63 PolarHBondContact ND2-OE1 3.45Å; N53-Q63 VanDerWaalsContact ND2-OE1 3.11Å
54H81.2Confident77.9Confident75 Ų7569.4 Ų69.435%0.34737%0.369SS..BIsolated β-bridgetrans-58.6141.1174.2-146.8-47.6000110D46 M56 E57 H86D46-H54 CarbonylContact O-C 3.42Å; D46-H54 PolarHBondContact O-ND1 3.25Å; H54-M56 PolarHBondContact O-N 2.88Å; H54-E57 HydrophobicContact CB-CB 4.13Å; H54-E57 HydrophobicContact CB-CG 3.84Å; H54-E57 WeakPolarHBondContact O-CB 3.5Å; H54-E57 PolarHBondContact O-N 2.95Å; H54-H86 PolarHBondContact O-NE2 3.14Å
55I78.2Confident78.7Confident11 Ų1166.6 Ų66.66%0.05636%0.361CS..THydrogen-bonded Turntrans-61-29.6-178.2-164.559.7000112.9D46 C48 E57 V76 A84 H86D46-I55 WeakPolarHBondContact O-CB 3.14Å; D46-I55 WeakPolarHBondContact O-CG2 3.22Å; D46-I55 PolarHBondContact O-N 2.91Å; C48-I55 HydrophobicContact CB-CD1 4.28Å; I55-E57 VanDerWaalsContact C-N 3.35Å; I55-V76 HydrophobicContact CD1-CG1 3.85Å; I55-V76 HydrophobicContact CD1-CG2 4.07Å; I55-V76 HydrophobicContact CG1-CB 4.46Å; I55-V76 HydrophobicContact CG1-CG1 3.78Å; I55-V76 HydrophobicContact CG1-CG2 3.81Å; I55-A84 HydrophobicContact CD1-CB 3.83Å; I55-A84 HydrophobicContact CG1-CB 3.83Å; I55-H86 PolarHBondContact O-NE2 3.05Å
56M78Confident78.8Confident161 Ų16171.2 Ų71.279%0.79338%0.378SS*.THydrogen-bonded Turntrans-80.8-16.3177.1-62.4-61-70.300113H54H54-M56 PolarHBondContact O-N 2.88Å
57E77Confident78.1Confident109 Ų10970 Ų7051%0.50939%0.385SS..SBendtrans-87.6159.8175.4-70.3178.4172.600110.7H54 I55 H86H54-E57 HydrophobicContact CB-CB 4.13Å; H54-E57 HydrophobicContact CB-CG 3.84Å; H54-E57 WeakPolarHBondContact O-CB 3.5Å; H54-E57 PolarHBondContact O-N 2.95Å; I55-E57 VanDerWaalsContact C-N 3.35Å; E57-H86 PolarHBondContact O-NE2 3.47Å
58L81.3Confident77Confident78 Ų7872.8 Ų72.841%0.40840%0.404SS..PPolyproline II helixtrans-65.2148.7174.6-73.275000109.9N53 C62 T71N53-L58 PolarHBondContact ND2-O 3.4Å; L58-C62 HydrophobicContact CB-CB 4.08Å; L58-C62 HydrophobicContact CD2-CB 4.05Å; L58-T71 HydrophobicContact CD2-CG2 3.9Å
59C83.2Confident75.3Confident0 Ų081.6 Ų81.60%044%0.443CS..PPolyproline II helixtrans-62.2157.5173.874.50000111.3E61 C62 Q63 H86 C89C59-E61 PolarHBondContact O-N 3.12Å; C59-E61 VanDerWaalsContact O-N 3.08Å; C59-C62 PolarHBondContact O-N 3.06Å; C59-C62 PolarHBondContact SG-N 3.32Å; C59-C62 VanDerWaalsContact SG-N 3.44Å; C59-Q63 PolarHBondContact O-N 2.94Å; C59-H86 HydrophobicContact CB-CB 3.85Å; C59-C89 VanDerWaalsContact CB-SG 3.56Å
60I81.9Confident74Confident86 Ų8685 Ų8544%0.44145%0.445SS..Hα-helixtrans-52.1-36.8-179.3-67.8175.5000112.2C51 Q63 A64C51-I60 HydrophobicContact CB-CD1 4.03Å; C51-I60 HydrophobicContact CB-CG1 4.06Å; C51-I60 WeakPolarHBondContact O-CD1 3.37Å; I60-Q63 PolarHBondContact O-N 3.49Å; I60-A64 VanDerWaalsContact O-CB 3.27Å; I60-A64 WeakPolarHBondContact O-CB 3.23Å; I60-A64 PolarHBondContact O-N 2.98Å
61E77.9Confident73Confident82 Ų8285.3 Ų85.338%0.38345%0.447SS..Hα-helixtrans-68.9-43.3-179.6-62.7-176.9160.400111.9C59 Q63 A64 A65 R92C59-E61 PolarHBondContact O-N 3.12Å; C59-E61 VanDerWaalsContact O-N 3.08Å; E61-Q63 VanDerWaalsContact C-N 3.35Å; E61-A64 PolarHBondContact O-N 2.77Å; E61-A65 VanDerWaalsContact O-CB 3.32Å; E61-A65 WeakPolarHBondContact O-CB 3.49Å; E61-A65 PolarHBondContact O-N 3.17Å; E61-R92 WeakPolarHBondContact OE1-CD 3.5Å; E61-R92 IonicContact OE1-CZ 3.54Å; E61-R92 IonicContact OE1-NE 3.72Å; E61-R92 IonicContact OE1-NH1 3.74Å; E61-R92 PolarHBondContact OE1-NH1 3.08Å
62C81.4Confident71.9Confident15 Ų1593.1 Ų93.110%0.10148%0.482CS..Hα-helixtrans-71-32.1175.7-69.70000112.1L58 C59 H88L58-C62 HydrophobicContact CB-CB 4.08Å; L58-C62 HydrophobicContact CD2-CB 4.05Å; C59-C62 PolarHBondContact O-N 3.06Å; C59-C62 PolarHBondContact SG-N 3.32Å; C59-C62 VanDerWaalsContact SG-N 3.44Å; C62-H88 PolarHBondContact SG-ND1 2.68Å; C62-H88 VanDerWaalsContact SG-ND1 3.36Å
63Q79.3Confident71.1Confident123 Ų12390.3 Ų90.358%0.57548%0.475SS*.Hα-helixtrans-68.2-38.4173.5-170.3178.24.100111.7N53 C59 I60 E61N53-Q63 PolarHBondContact ND2-OE1 3.45Å; N53-Q63 VanDerWaalsContact ND2-OE1 3.11Å; C59-Q63 PolarHBondContact O-N 2.94Å; I60-Q63 PolarHBondContact O-N 3.49Å; E61-Q63 VanDerWaalsContact C-N 3.35Å
64A75.1Confident70.8Confident75 Ų7589.9 Ų89.962%0.6247%0.474SS*.Hα-helixtrans-72.8-38.117700000112.4I60 E61 Q66I60-A64 VanDerWaalsContact O-CB 3.27Å; I60-A64 WeakPolarHBondContact O-CB 3.23Å; I60-A64 PolarHBondContact O-N 2.98Å; E61-A64 PolarHBondContact O-N 2.77Å; A64-Q66 PolarHBondContact O-N 2.96Å
65A70.7Confident70.8Confident51 Ų5189.7 Ų89.742%0.42148%0.478SS..THydrogen-bonded Turntrans-80.659.317700000111.4E61 G67 T68E61-A65 VanDerWaalsContact O-CB 3.32Å; E61-A65 WeakPolarHBondContact O-CB 3.49Å; E61-A65 PolarHBondContact O-N 3.17Å; A65-G67 VanDerWaalsContact C-N 3.3Å; A65-G67 PolarHBondContact O-N 3.21Å; A65-T68 PolarHBondContact O-N 2.86Å
66Q62.4Low71Confident170 Ų17091.8 Ų91.879%0.79449%0.491SS*.THydrogen-bonded Turntrans-16.472.8179.1-62.9179.8-2.500116.3A64 T68A64-Q66 PolarHBondContact O-N 2.96Å; Q66-T68 WeakPolarHBondContact O-CG2 3.46Å; Q66-T68 PolarHBondContact O-N 2.79Å
67G57.5Low71.1Confident57 Ų5785.2 Ų85.259%0.58846%0.463SS*.THydrogen-bonded Turntrans577.2174.800000118.2A65A65-G67 VanDerWaalsContact C-N 3.3Å; A65-G67 PolarHBondContact O-N 3.21Å
68T57.2Low71Confident116 Ų11686.7 Ų86.771%0.71246%0.464SS*.THydrogen-bonded Turntrans-87.1-23.6-163.3420000115.3A65 Q66A65-T68 PolarHBondContact O-N 2.86Å; Q66-T68 WeakPolarHBondContact O-CG2 3.46Å; Q66-T68 PolarHBondContact O-N 2.79Å
69K49.4Very low70.5Confident186 Ų18684.2 Ų84.281%0.80946%0.457SS*.SBendtrans-148.5118.9172.3-70.2-172178.7174.50111.3
70K52.2Low69.9Low138 Ų13891.7 Ų91.760%0.650%0.502SS*.  trans58.957.5166.6-55.5-165177.8-174.10117.2E72 E73K70-E72 PolarHBondContact O-N 3.27Å; K70-E73 HydrophobicContact CB-CB 4.36Å; K70-E73 WeakPolarHBondContact CD-OE2 3.33Å; K70-E73 IonicContact NZ-OE2 3.62Å; K70-E73 PolarHBondContact NZ-OE2 3.21Å
71T60Low69.7Low64 Ų6491.2 Ų91.239%0.39351%0.506SS..G310 helixtrans-62.5-24.5161.848.50000112.5L58 E73 C74L58-T71 HydrophobicContact CD2-CG2 3.9Å; T71-E73 PolarHBondContact O-N 2.9Å; T71-C74 PolarHBondContact O-N 3.1Å
72E62.9Low69.3Low181 Ų18191.5 Ų91.585%0.84651%0.51SS*.G310 helixtrans-71.3-14.6-177.9-53-175.6-156.100113.9K70K70-E72 PolarHBondContact O-N 3.27Å
73E67Low69.1Low88 Ų8894.4 Ų94.441%0.41152%0.522SS..G310 helixtrans-98.2-3.4-178-157.4165-172.600112.6K70 T71 T75K70-E73 HydrophobicContact CB-CB 4.36Å; K70-E73 WeakPolarHBondContact CD-OE2 3.33Å; K70-E73 IonicContact NZ-OE2 3.62Å; K70-E73 PolarHBondContact NZ-OE2 3.21Å; T71-E73 PolarHBondContact O-N 2.9Å; E73-T75 PolarHBondContact O-N 3.12Å
74C73.2Confident69.1Low21 Ų2189 Ų8914%0.14250%0.498CS..  trans-82.152.9178.5-163.20000112T71T71-C74 PolarHBondContact O-N 3.1Å
75T81.4Confident69.7Low72 Ų7287.1 Ų87.144%0.44248%0.476SS..  trans-74.5161.8179.357.60000111.9E73 L87E73-T75 PolarHBondContact O-N 3.12Å; T75-L87 WeakPolarHBondContact O-CB 3.37Å; T75-L87 PolarHBondContact O-N 3.48Å; T75-L87 WeakPolarHBondContact OG1-CD2 3.48Å
76V81.2Confident70.4Confident54 Ų5484.8 Ų84.833%0.32746%0.456SS..EExtended strand (participates in β ladder)trans-83.3127.5174.8177.30000109.2I55 A84 F85I55-V76 HydrophobicContact CD1-CG1 3.85Å; I55-V76 HydrophobicContact CD1-CG2 4.07Å; I55-V76 HydrophobicContact CG1-CB 4.46Å; I55-V76 HydrophobicContact CG1-CG1 3.78Å; I55-V76 HydrophobicContact CG1-CG2 3.81Å; V76-A84 HydrophobicContact CG1-CB 4.05Å; V76-F85 CarbonylContact C-O 3.57Å; V76-F85 WeakPolarHBondContact CA-O 3.5Å
77A80.5Confident71.5Confident24 Ų2479.5 Ų79.520%0.19843%0.433CS..EExtended strand (participates in β ladder)trans-108.5133.8175.600000110F85 L87 I90A77-F85 PolarHBondContact N-O 3.18Å; A77-F85 PolarHBondContact O-N 3Å; A77-L87 HydrophobicContact CB-CB 4.43Å; A77-L87 HydrophobicContact CB-CD1 4.06Å; A77-I90 HydrophobicContact CB-CG2 4.15Å
78W75.3Confident72.8Confident140 Ų14078.9 Ų78.953%0.5342%0.415SS..EExtended strand (participates in β ladder)trans-105.3132.5-178.6-7188.7000111.1I43 N82 A84I43-W78 HydrophobicContact CG1-CH2 4.17Å; W78-N82 WeakPolarHBondContact CZ3-O 3.24Å; W78-A84 HydrophobicContact CD2-CB 4.26Å; W78-A84 HydrophobicContact CE3-CB 4.13Å; W78-A84 HydrophobicContact CH2-CB 4.08Å; W78-A84 HydrophobicContact CZ2-CB 4.17Å; W78-A84 HydrophobicContact CZ3-CB 4.04Å
79G71.3Confident74.2Confident25 Ų2573.8 Ų73.826%0.25838%0.384SS..  trans-85.5156.8167.700000111.8C81 N82 H83G79-C81 PolarHBondContact O-N 2.7Å; G79-C81 VanDerWaalsContact O-N 3.08Å; G79-N82 PolarHBondContact O-N 3.41Å; G79-H83 PolarHBondContact N-O 3.16Å
80V70.5Confident75.8Confident157 Ų15766.6 Ų66.695%0.95235%0.354SS*.THydrogen-bonded Turntrans-60.3-15.3170.5-63.60000113.4N82V80-N82 VanDerWaalsContact C-N 3.32Å
81C76.8Confident77.2Confident77 Ų7762.4 Ų62.452%0.5234%0.342SS..THydrogen-bonded Turntrans-92.419.4174.860.50000113.3G79 H83G79-C81 PolarHBondContact O-N 2.7Å; G79-C81 VanDerWaalsContact O-N 3.08Å; C81-H83 PolarHBondContact O-N 3.46Å; C81-H83 PolarHBondContact O-ND1 3.29Å
82N70.8Confident78.2Confident87 Ų8766.7 Ų66.747%0.46535%0.351SS..SBendtrans57.711.7-178.5-69.8-6.2000116.7W78 G79 V80W78-N82 WeakPolarHBondContact CZ3-O 3.24Å; G79-N82 PolarHBondContact O-N 3.41Å; V80-N82 VanDerWaalsContact C-N 3.32Å
83H77.1Confident79.1Confident77 Ų7762.5 Ų62.536%0.35633%0.328SS..  trans-81.8134.6171.3-70.977.2000110.7G79 C81 F85G79-H83 PolarHBondContact N-O 3.16Å; C81-H83 PolarHBondContact O-N 3.46Å; C81-H83 PolarHBondContact O-ND1 3.29Å; H83-F85 HydrophobicContact CB-CD2 4.47Å; H83-F85 HydrophobicContact CB-CE2 3.52Å; H83-F85 HydrophobicContact CB-CZ 3.63Å
84A79Confident79.7Confident9 Ų962.2 Ų62.27%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-99.2137.2175.600000111.2I55 V76 W78I55-A84 HydrophobicContact CD1-CB 3.83Å; I55-A84 HydrophobicContact CG1-CB 3.83Å; V76-A84 HydrophobicContact CG1-CB 4.05Å; W78-A84 HydrophobicContact CD2-CB 4.26Å; W78-A84 HydrophobicContact CE3-CB 4.13Å; W78-A84 HydrophobicContact CH2-CB 4.08Å; W78-A84 HydrophobicContact CZ2-CB 4.17Å; W78-A84 HydrophobicContact CZ3-CB 4.04Å
85F86.7Confident80Confident36 Ų3666.6 Ų66.616%0.15835%0.351CS..EExtended strand (participates in β ladder)trans-135.3156.9178.3-53.7-89.2000110.1A49 V50 V76 A77 H83 I90A49-F85 HydrophobicContact CB-CD1 4.45Å; A49-F85 HydrophobicContact CB-CE1 3.9Å; V50-F85 HydrophobicContact CG2-CD1 3.9Å; V50-F85 HydrophobicContact CG2-CE1 4.24Å; V76-F85 CarbonylContact C-O 3.57Å; V76-F85 WeakPolarHBondContact CA-O 3.5Å; A77-F85 PolarHBondContact N-O 3.18Å; A77-F85 PolarHBondContact O-N 3Å; H83-F85 HydrophobicContact CB-CD2 4.47Å; H83-F85 HydrophobicContact CB-CE2 3.52Å; H83-F85 HydrophobicContact CB-CZ 3.63Å; F85-I90 HydrophobicContact CB-CB 4.16Å
86H85.8Confident79.4Confident1 Ų167.5 Ų67.51%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-69.9136.8161.5-54.7116.6000109.5C48 C51 H54 I55 E57 C59 H88 C89 I90C48-H86 VanDerWaalsContact CB-CE1 3.49Å; C48-H86 WeakPolarHBondContact CB-CE1 3.34Å; C48-H86 WeakPolarHBondContact CB-ND1 3.37Å; C48-H86 PolarHBondContact SG-N 3.41Å; C48-H86 VanDerWaalsContact SG-N 3.43Å; C48-H86 PolarHBondContact SG-ND1 3.5Å; C51-H86 PolarHBondContact SG-CE1 3.17Å; C51-H86 PolarHBondContact SG-ND1 2.97Å; H54-H86 PolarHBondContact O-NE2 3.14Å; I55-H86 PolarHBondContact O-NE2 3.05Å; E57-H86 PolarHBondContact O-NE2 3.47Å; C59-H86 HydrophobicContact CB-CB 3.85Å; H86-H88 VanDerWaalsContact C-N 3.26Å; H86-H88 PolarHBondContact O-N 3.13Å; H86-C89 HydrophobicContact CB-CB 4.1Å; H86-C89 WeakPolarHBondContact O-CA 3.3Å; H86-C89 WeakPolarHBondContact O-CB 3.36Å; H86-C89 PolarHBondContact O-N 3.45Å; H86-I90 PolarHBondContact O-N 3.44Å; H86-I90 VanDerWaalsContact O-N 3.08Å
87L85.9Confident78.3Confident60 Ų6071.9 Ų71.931%0.31437%0.367SS..Hα-helixtrans-54.7-41.1-177.9-178.263.3000112.5T75 A77 C89 I90 S91T75-L87 WeakPolarHBondContact O-CB 3.37Å; T75-L87 PolarHBondContact O-N 3.48Å; T75-L87 WeakPolarHBondContact OG1-CD2 3.48Å; A77-L87 HydrophobicContact CB-CB 4.43Å; A77-L87 HydrophobicContact CB-CD1 4.06Å; L87-C89 VanDerWaalsContact C-N 3.35Å; L87-C89 PolarHBondContact O-N 3.41Å; L87-I90 VanDerWaalsContact O-CG2 3.26Å; L87-I90 WeakPolarHBondContact O-CG2 3.5Å; L87-S91 VanDerWaalsContact O-CB 3.28Å; L87-S91 WeakPolarHBondContact O-CB 3.25Å; L87-S91 PolarHBondContact O-N 2.81Å; L87-S91 PolarHBondContact O-OG 3.09Å
88H85.1Confident76.9Confident44 Ų4477.7 Ų77.720%0.20439%0.389CS..Hα-helixtrans-64.4-39.6176.1-64152.6000112.6C62 H86 S91 R92C62-H88 PolarHBondContact SG-ND1 2.68Å; C62-H88 VanDerWaalsContact SG-ND1 3.36Å; H86-H88 VanDerWaalsContact C-N 3.26Å; H86-H88 PolarHBondContact O-N 3.13Å; H88-S91 PolarHBondContact O-N 3.29Å; H88-R92 WeakPolarHBondContact O-CB 3.44Å; H88-R92 PolarHBondContact O-N 3.19Å
89C85.3Confident75.3Confident9 Ų979.8 Ų79.86%0.06140%0.402CS..Hα-helixtrans-67.3-45.1-178.4-680000112V50 C59 H86 L87 W93V50-C89 HydrophobicContact CB-CB 3.74Å; V50-C89 HydrophobicContact CG1-CB 3.69Å; V50-C89 HydrophobicContact CG2-CB 4.39Å; C59-C89 VanDerWaalsContact CB-SG 3.56Å; H86-C89 HydrophobicContact CB-CB 4.1Å; H86-C89 WeakPolarHBondContact O-CA 3.3Å; H86-C89 WeakPolarHBondContact O-CB 3.36Å; H86-C89 PolarHBondContact O-N 3.45Å; L87-C89 VanDerWaalsContact C-N 3.35Å; L87-C89 PolarHBondContact O-N 3.41Å; C89-W93 VanDerWaalsContact O-CB 3.29Å; C89-W93 WeakPolarHBondContact O-CB 3.45Å; C89-W93 PolarHBondContact O-N 3.44Å; C89-W93 VanDerWaalsContact O-N 3.11Å
90I83.8Confident73.7Confident35 Ų3582 Ų8218%0.17942%0.419CS..Hα-helixtrans-68.2-38.6176.9-170.862000111.5A77 F85 H86 L87 R92 W93 L94A77-I90 HydrophobicContact CB-CG2 4.15Å; F85-I90 HydrophobicContact CB-CB 4.16Å; H86-I90 PolarHBondContact O-N 3.44Å; H86-I90 VanDerWaalsContact O-N 3.08Å; L87-I90 VanDerWaalsContact O-CG2 3.26Å; L87-I90 WeakPolarHBondContact O-CG2 3.5Å; I90-R92 PolarHBondContact O-N 3.04Å; I90-W93 HydrophobicContact CD1-CE3 4.1Å; I90-W93 HydrophobicContact CD1-CZ3 4.45Å; I90-W93 PolarHBondContact O-N 3.09Å; I90-L94 HydrophobicContact CG1-CD1 4.28Å; I90-L94 HydrophobicContact CG1-CG 4.48Å; I90-L94 WeakPolarHBondContact O-CG 3.38Å; I90-L94 PolarHBondContact O-N 3Å
91S81.9Confident72.1Confident50 Ų5079.8 Ų79.835%0.3541%0.41SS..Hα-helixtrans-62-45.7178.7-60.40000112.1L87 H88 L94 N95L87-S91 VanDerWaalsContact O-CB 3.28Å; L87-S91 WeakPolarHBondContact O-CB 3.25Å; L87-S91 PolarHBondContact O-N 2.81Å; L87-S91 PolarHBondContact O-OG 3.09Å; H88-S91 PolarHBondContact O-N 3.29Å; S91-L94 PolarHBondContact O-N 2.92Å; S91-N95 PolarHBondContact O-N 3.37Å
92R80Confident69.9Low154 Ų15483.2 Ų83.258%0.58142%0.423SS*.Hα-helixtrans-66.5-38.4177.2-173.5175.3-176.7130.67.6112.4E61 H88 I90 N95 T96E61-R92 WeakPolarHBondContact OE1-CD 3.5Å; E61-R92 IonicContact OE1-CZ 3.54Å; E61-R92 IonicContact OE1-NE 3.72Å; E61-R92 IonicContact OE1-NH1 3.74Å; E61-R92 PolarHBondContact OE1-NH1 3.08Å; H88-R92 WeakPolarHBondContact O-CB 3.44Å; H88-R92 PolarHBondContact O-N 3.19Å; I90-R92 PolarHBondContact O-N 3.04Å; R92-N95 PolarHBondContact O-N 3.02Å; R92-T96 PolarHBondContact O-N 2.92Å; R92-T96 PolarHBondContact O-OG1 3.41Å
93W82.2Confident67.9Low93 Ų9388.2 Ų88.235%0.35244%0.444SS..Hα-helixtrans-65.2-42.6178.3-177.198.5000112.1C89 I90 N95 T96 R97C89-W93 VanDerWaalsContact O-CB 3.29Å; C89-W93 WeakPolarHBondContact O-CB 3.45Å; C89-W93 PolarHBondContact O-N 3.44Å; C89-W93 VanDerWaalsContact O-N 3.11Å; I90-W93 HydrophobicContact CD1-CE3 4.1Å; I90-W93 HydrophobicContact CD1-CZ3 4.45Å; I90-W93 PolarHBondContact O-N 3.09Å; W93-N95 VanDerWaalsContact C-N 3.32Å; W93-N95 PolarHBondContact O-N 2.96Å; W93-T96 PolarHBondContact O-N 2.97Å; W93-T96 VanDerWaalsContact O-N 3.12Å; W93-R97 HydrophobicContact CD2-CG 4.39Å; W93-R97 PolarHBondContact O-N 2.81Å
94L79.9Confident65.5Low82 Ų8293.7 Ų93.743%0.42947%0.467SS..Hα-helixtrans-58.4-45174.9-73.8170000111I90 S91 T96 R97 H98I90-L94 HydrophobicContact CG1-CD1 4.28Å; I90-L94 HydrophobicContact CG1-CG 4.48Å; I90-L94 WeakPolarHBondContact O-CG 3.38Å; I90-L94 PolarHBondContact O-N 3Å; S91-L94 PolarHBondContact O-N 2.92Å; L94-T96 PolarHBondContact O-N 3.22Å; L94-R97 PolarHBondContact O-N 3.17Å; L94-H98 PolarHBondContact O-CD2 2.8Å; L94-H98 PolarHBondContact O-N 3.49Å
95N78.7Confident62.8Low113 Ų11399.6 Ų99.660%0.60450%0.502SS*.Hα-helixtrans-60.5-31.7176.9-72.7-15.6000113.6S91 R92 W93 F99S91-N95 PolarHBondContact O-N 3.37Å; R92-N95 PolarHBondContact O-N 3.02Å; W93-N95 VanDerWaalsContact C-N 3.32Å; W93-N95 PolarHBondContact O-N 2.96Å; N95-F99 WeakPolarHBondContact O-CD2 2.94Å
96T70.1Confident60Low91 Ų91106.8 Ų106.856%0.55854%0.536SS*.Hα-helixtrans-78.8-28.8-178.7-46.80000111.8R92 W93 L94R92-T96 PolarHBondContact O-N 2.92Å; R92-T96 PolarHBondContact O-OG1 3.41Å; W93-T96 PolarHBondContact O-N 2.97Å; W93-T96 VanDerWaalsContact O-N 3.12Å; L94-T96 PolarHBondContact O-N 3.22Å
97R57.8Low57Low145 Ų145111.4 Ų111.455%0.54757%0.574SS.*Hα-helixtrans-88.2-21.2-175.2-69.7-164.8173.3-1671.7115.2W93 L94 F99 A100W93-R97 HydrophobicContact CD2-CG 4.39Å; W93-R97 PolarHBondContact O-N 2.81Å; L94-R97 PolarHBondContact O-N 3.17Å; R97-F99 PolarHBondContact O-N 3.42Å; R97-F99 VanDerWaalsContact O-N 3.13Å; R97-A100 PolarHBondContact O-N 3.19Å
98H51.3Low54.1Low147 Ų147112.6 Ų112.668%0.68160%0.601SS**THydrogen-bonded Turntrans-58.1-25.4171.3-81.9-75000112.5L94L94-H98 PolarHBondContact O-CD2 2.8Å; L94-H98 PolarHBondContact O-N 3.49Å
99F41.9Very low51Low183 Ų183113.7 Ų113.780%0.80362%0.624SS**THydrogen-bonded Turntrans-89.8-15.8176.7-64.5-77.5000114.7N95 R97N95-F99 WeakPolarHBondContact O-CD2 2.94Å; R97-F99 PolarHBondContact O-N 3.42Å; R97-F99 VanDerWaalsContact O-N 3.13Å
100A37.7Very low48.2Very low72 Ų72121.1 Ų121.160%0.59566%0.662SS**  trans-98.37.4-171.200000114.4R97 N102R97-A100 PolarHBondContact O-N 3.19Å; A100-N102 PolarHBondContact O-N 3.25Å; A100-N102 VanDerWaalsContact O-N 3.16Å
101S35.7Very low45.3Very low111 Ų111124.3 Ų124.378%0.77668%0.683SS**SBendtrans-71-0.8176.261.20000113.9
102N30.5Very low42.6Very low148 Ų148129.4 Ų129.479%0.79170%0.701SS**SBendtrans-125.655.3-174.3-149.941.6000113.3A100A100-N102 PolarHBondContact O-N 3.25Å; A100-N102 VanDerWaalsContact O-N 3.16Å
103E29.4Very low39.9Very low193 Ų193129.4 Ų129.490%0.90271%0.708SS**  trans-163105.3151.9-121171.3163.100110.1
104K26.2Very low37Very low192 Ų192129.6 Ų129.684%0.83572%0.723SS**  trans-122.1155.5168.3-88.5-176.3178178.10107.3
105T23.5Very low34.5Very low133 Ų133131.2 Ų131.282%0.81674%0.741SS**  trans81.8127.6175.871.20000111.6
106E26.7Very low31.9Very low187 Ų187130.8 Ų130.887%0.87475%0.747SS**  cis-160.9171.345.5-66.3169.9159.300107.8
107A23.6Very low30Very low98 Ų98131.5 Ų131.581%0.8176%0.756SS**  cis177150.7-2600000105.3
108G23.8Very low28.3Very low85 Ų85130.6 Ų130.688%0.87677%0.767SS**  trans93.2129.7161.800000116.1
109G20.7Very low27.2Very low67 Ų67132.3 Ų132.369%0.69178%0.775SS**  cis124.61521300000110.5
110I27.2Very low26.4Very low165 Ų165131.7 Ų131.785%0.84678%0.775SS**  trans86.3138162.8-47.9167.2000115.1
111T22.8Very low25.9Very low102 Ų102138 Ų13863%0.62679%0.789SS**  cis-179.9150.9-42.526.60000106.1
112E24.3Very low25.7Very low157 Ų157136.1 Ų136.173%0.73479%0.786SS**  trans64.7150.9147.5-68.2175.7-161.900118.6
113E23.5Very low25.7Very low154 Ų154135.6 Ų135.672%0.7279%0.789SS**  cis-168.8147.82.9-121.1177-170.200109.5
114S22.5Very low26.3Very low96 Ų96135.8 Ų135.867%0.67179%0.786SS**  trans74.9139132.779.30000124.8
115S27.4Very low26.9Very low116 Ų116132.3 Ų132.381%0.81178%0.784SS**  trans85.8144147.779.80000118.4
116S23.1Very low28Very low104 Ų104137.7 Ų137.773%0.72779%0.789SS**  cis176.4167.2-16.6176.10000106.2
117S29.9Very low28.7Very low107 Ų107136.5 Ų136.575%0.74878%0.781SS**  trans83.8110.617671.90000115.1
118T22Very low29.7Very low125 Ų125139.6 Ų139.677%0.76778%0.779SS**  cis76.8116.838.8-37.30000114.2
119E29.5Very low31Very low183 Ų183140.9 Ų140.986%0.85577%0.765SS**  trans14795.3149.3-83.4-179.2-17900109.3
120E24.8Very low32.5Very low170 Ų170145.5 Ų145.579%0.79477%0.766SS**  60.4104.987.9-71.2-158.4179.200116.7
121K27.9Very low33.6Very low206 Ų206144.9 Ų144.990%0.89676%0.757SS**  161.5136119.2-89.4170-177.1171.80112.8
122G29.8Very low35.1Very low70 Ų70147 Ų14772%0.72276%0.764SS**  trans114.844.1141.300000119.9
123T30.7Very low36.8Very low137 Ų137147.5 Ų147.584%0.8476%0.76SS**  trans5.1117.9143.9510000120.4
124K41.6Very low39Very low197 Ų197144.2 Ų144.286%0.85777%0.767SS**  -150.2118.6126.7-115.1178.9-175.8178.50109R126K124-R126 PolarHBondContact O-N 2.71Å
125P40.4Very low41.1Very low120 Ų120145.7 Ų145.778%0.77977%0.772SS**  trans-69.9114.5-17426.5-32.1000110.6F127P125-F127 PolarHBondContact O-N 3Å; P125-F127 VanDerWaalsContact O-N 3.1Å
126R46.3Very low42.1Very low245 Ų245144.6 Ų144.693%0.92577%0.77SS**  trans-85.751.8176.2-158-174.6-172.9-175.44.1110.8K124K124-R126 PolarHBondContact O-N 2.71Å
127F41Very low43.1Very low162 Ų162148.4 Ų148.471%0.71178%0.778SS**  trans-104.7104.9178.9-173-106.3000109.5P125 I129P125-F127 PolarHBondContact O-N 3Å; P125-F127 VanDerWaalsContact O-N 3.1Å; F127-I129 HydrophobicContact CD1-CG1 3.98Å; F127-I129 HydrophobicContact CE1-CD1 3.7Å; F127-I129 HydrophobicContact CE1-CG1 3.21Å; F127-I129 HydrophobicContact CZ-CD1 4.34Å; F127-I129 HydrophobicContact CZ-CG1 3.67Å
128E44.4Very low44.4Very low163 Ų163153.3 Ų153.376%0.76278%0.78SS**  trans-112.1110.5170.2-73.7180179.800108.7K130E128-K130 PolarHBondContact O-N 3.13Å; E128-K130 VanDerWaalsContact O-N 3.1Å
129I50.7Low45.5Very low112 Ų112151.7 Ų151.757%0.57478%0.78SS**  trans-69.7104.3170.4-56.8174.1000107.2F127 L132F127-I129 HydrophobicContact CD1-CG1 3.98Å; F127-I129 HydrophobicContact CE1-CD1 3.7Å; F127-I129 HydrophobicContact CE1-CG1 3.21Å; F127-I129 HydrophobicContact CZ-CD1 4.34Å; F127-I129 HydrophobicContact CZ-CG1 3.67Å; I129-L132 HydrophobicContact CG2-CB 4.35Å
130K53.6Low46.6Very low164 Ų164152 Ų15271%0.71377%0.774SS**  trans-75-38.9-179.6-73.3-173.8175.7-179.40112.7E128E128-K130 PolarHBondContact O-N 3.13Å; E128-K130 VanDerWaalsContact O-N 3.1Å
131K49.7Very low47.7Very low153 Ų153148.8 Ų148.867%0.66576%0.762SS**  trans-150.6130.2179.3-61.2-170.7-175.6176.30110.2Y133K131-Y133 HydrophobicContact CB-CD2 4.27Å; K131-Y133 HydrophobicContact CB-CE2 3.64Å; K131-Y133 HydrophobicContact CD-CE2 4.03Å; K131-Y133 VanDerWaalsContact CD-OH 3.26Å; K131-Y133 WeakPolarHBondContact CD-OH 2.99Å; K131-Y133 HydrophobicContact CG-CE2 4.46Å
132L53.4Low48.9Very low146 Ų146141.5 Ų141.576%0.76473%0.732SS**  trans-112120.5172.5-177.673.9000107I129I129-L132 HydrophobicContact CG2-CB 4.35Å
133Y61Low50.4Low168 Ų168141.6 Ų141.666%0.65972%0.721SS**  trans-109.9114.9174.6-66.3-81.4000108.4K131 V135K131-Y133 HydrophobicContact CB-CD2 4.27Å; K131-Y133 HydrophobicContact CB-CE2 3.64Å; K131-Y133 HydrophobicContact CD-CE2 4.03Å; K131-Y133 VanDerWaalsContact CD-OH 3.26Å; K131-Y133 WeakPolarHBondContact CD-OH 2.99Å; K131-Y133 HydrophobicContact CG-CE2 4.46Å; Y133-V135 PolarHBondContact O-N 2.87Å
134G70.1Confident52Low84 Ų84138.8 Ų138.887%0.86670%0.704SS**  trans-80.6107.817000000109.1
135V65.1Low53.6Low127 Ų127133.6 Ų133.677%0.7769%0.686SS**  trans-104.1126.9172.1-177.70000107.9Y133Y133-V135 PolarHBondContact O-N 2.87Å
136A48.5Very low55.7Low93 Ų93131.4 Ų131.477%0.76967%0.668SS**  trans-109.7130.6173.600000108.7
137M44.2Very low57.5Low185 Ų185119.8 Ų119.891%0.91162%0.624SS**  trans-98.1138.9169.3-64.5-173.1-6600108.9
138W57.3Low59.5Low209 Ų209115.1 Ų115.179%0.79262%0.615SS**  trans-126.6140.7172.170.8-84.6000109.1W140W138-W140 AromaticContact CZ3-NE1 3.79Å
139A45.3Very low61.4Low92 Ų92110.2 Ų110.276%0.7660%0.596SS**  trans-148.315317400000108.4
140W52.7Low63.2Low189 Ų189105.8 Ų105.872%0.71658%0.575SS**  trans-69.2133.8170.8-63.9104.1000109.3W138 I142W138-W140 AromaticContact CZ3-NE1 3.79Å; W140-I142 VanDerWaalsContact C-N 3.25Å; W140-I142 HydrophobicContact CB-CD1 4.17Å; W140-I142 HydrophobicContact CB-CG1 3.75Å; W140-I142 PolarHBondContact O-N 3.31Å
141D48.4Very low64.8Low103 Ų103107.9 Ų107.955%0.55158%0.578SS**  trans-76.178.7173.5-172.214.1000108.6K229D141-K229 IonicContact OD2-NZ 3.86Å
142I53.7Low66.4Low53 Ų53102.3 Ų102.327%0.27256%0.556SS.*  trans-91.7115.8179.3-45.3-178.3000108W140 V144 I154 W177W140-I142 VanDerWaalsContact C-N 3.25Å; W140-I142 HydrophobicContact CB-CD1 4.17Å; W140-I142 HydrophobicContact CB-CG1 3.75Å; W140-I142 PolarHBondContact O-N 3.31Å; I142-V144 VanDerWaalsContact C-N 3.26Å; I142-V144 WeakPolarHBondContact CG2-O 3.32Å; I142-V144 PolarHBondContact O-N 3.1Å; I142-I154 HydrophobicContact CD1-CG2 4.41Å; I142-W177 HydrophobicContact CB-CH2 4.43Å; I142-W177 HydrophobicContact CG1-CH2 4.04Å; I142-W177 HydrophobicContact CG1-CZ2 4.43Å; I142-W177 HydrophobicContact CG2-CH2 4.36Å
143S61.2Low67.9Low71 Ų7198.5 Ų98.550%0.49753%0.534SS..SBendtrans-69.5-26.5178.8-36.30000112.5
144V64Low68.9Low78 Ų7890.9 Ų90.947%0.47350%0.504SS..  trans-154.5124.9178.5-174.30000108.7I142 N146I142-V144 VanDerWaalsContact C-N 3.26Å; I142-V144 WeakPolarHBondContact CG2-O 3.32Å; I142-V144 PolarHBondContact O-N 3.1Å; V144-N146 HydrophobicContact CG1-CB 4.15Å; V144-N146 PolarHBondContact O-N 2.86Å
145D74.7Confident69.5Low89 Ų8994.3 Ų94.348%0.47650%0.5SS..SBendtrans-67.9-2.6-179-64.1-41.8000114.4H153 I154D145-H153 CarbonylContact O-C 3.58Å; D145-H153 WeakPolarHBondContact O-CA 3.43Å; D145-H153 PolarHBondContact O-CD2 2.91Å; D145-I154 WeakPolarHBondContact O-CB 3.43Å; D145-I154 PolarHBondContact O-N 3.46Å
146N83.7Confident70.3Confident74 Ų7493.6 Ų93.640%0.39649%0.488SS..BIsolated β-bridgetrans-114.6137.2-174-59.7-26.9000110.8V144 A148 N152V144-N146 HydrophobicContact CG1-CB 4.15Å; V144-N146 PolarHBondContact O-N 2.86Å; N146-A148 PolarHBondContact O-N 3.41Å; N146-N152 CarbonylContact C-O 3.58Å; N146-N152 VanDerWaalsContact CA-O 3.29Å; N146-N152 WeakPolarHBondContact CA-O 3.27Å
147C85.5Confident71.9Confident0 Ų093.3 Ų93.30%047%0.473CS..  trans-60.7120.11721720000109.6V149 C150 R151 N152 I154 H185C147-V149 PolarHBondContact O-N 3.13Å; C147-C150 WeakPolarHBondContact CB-SG 3.45Å; C147-C150 PolarHBondContact O-N 3.36Å; C147-R151 VanDerWaalsContact O-CA 3.23Å; C147-R151 WeakPolarHBondContact O-CA 3.16Å; C147-R151 PolarHBondContact O-N 3.17Å; C147-N152 PolarHBondContact N-O 3.39Å; C147-I154 HydrophobicContact CB-CD1 4.26Å; C147-H185 VanDerWaalsContact CB-ND1 3.34Å; C147-H185 WeakPolarHBondContact CB-ND1 3.45Å; C147-H185 PolarHBondContact SG-ND1 3.44Å; C147-H185 VanDerWaalsContact SG-ND1 3.39Å
148A82.9Confident74Confident64 Ų6484.5 Ų84.553%0.52943%0.43SS..THydrogen-bonded Turntrans-66.6-13.5-174.300000114.3N146 F184N146-A148 PolarHBondContact O-N 3.41Å; A148-F184 HydrophobicContact CB-CD1 4.33Å; A148-F184 HydrophobicContact CB-CE1 3.75Å
149V84.5Confident75.3Confident60 Ų6079.1 Ų79.136%0.36442%0.416SS..THydrogen-bonded Turntrans-88.9-49.1177.1175.80000111.6C147 F184 C188C147-V149 PolarHBondContact O-N 3.13Å; V149-F184 HydrophobicContact CG2-CD1 3.78Å; V149-F184 HydrophobicContact CG2-CE1 4.08Å; V149-C188 HydrophobicContact CB-CB 3.83Å; V149-C188 HydrophobicContact CG1-CB 3.8Å; V149-C188 HydrophobicContact CG2-CB 4.43Å
150C88.5Confident77.1Confident19 Ų1977.9 Ų77.913%0.12839%0.394CS..THydrogen-bonded Turntrans-101.3-12-175.371.90000114.6C147 N152 I159 H185C147-C150 WeakPolarHBondContact CB-SG 3.45Å; C147-C150 PolarHBondContact O-N 3.36Å; C150-N152 PolarHBondContact O-N 3.41Å; C150-N152 VanDerWaalsContact O-N 3.16Å; C150-I159 HydrophobicContact CB-CB 4.25Å; C150-I159 HydrophobicContact CB-CG2 3.98Å; C150-H185 VanDerWaalsContact SG-CE1 3.52Å; C150-H185 PolarHBondContact SG-ND1 2.96Å
151R86Confident78.6Confident209 Ų20969.3 Ų69.379%0.78936%0.363SS*.  trans64.2-0.4-176-56.9-175.5169.1107.1-1.9116.5C147C147-R151 VanDerWaalsContact O-CA 3.23Å; C147-R151 WeakPolarHBondContact O-CA 3.16Å; C147-R151 PolarHBondContact O-N 3.17Å
152N83.6Confident80.3Confident35 Ų3570.2 Ų70.219%0.18736%0.364CS..SBendtrans-70158.7169-70.54.4000110.8N146 C147 C150 L157 Q162N146-N152 CarbonylContact C-O 3.58Å; N146-N152 VanDerWaalsContact CA-O 3.29Å; N146-N152 WeakPolarHBondContact CA-O 3.27Å; C147-N152 PolarHBondContact N-O 3.39Å; C150-N152 PolarHBondContact O-N 3.41Å; C150-N152 VanDerWaalsContact O-N 3.16Å; N152-L157 PolarHBondContact ND2-O 3.15Å; N152-L157 VanDerWaalsContact ND2-O 3.15Å; N152-Q162 PolarHBondContact ND2-OE1 3.11Å; N152-Q162 VanDerWaalsContact ND2-OE1 3.07Å
153H85Confident81.4Confident66 Ų6671.4 Ų71.431%0.30638%0.382SS..BIsolated β-bridgetrans-61.2145.1175-172.9-93.2000110.7D145 M155 E156 H185D145-H153 CarbonylContact O-C 3.58Å; D145-H153 WeakPolarHBondContact O-CA 3.43Å; D145-H153 PolarHBondContact O-CD2 2.91Å; H153-M155 VanDerWaalsContact C-N 3.26Å; H153-M155 WeakPolarHBondContact ND1-CB 3.18Å; H153-M155 PolarHBondContact ND1-N 3.03Å; H153-M155 PolarHBondContact O-N 3.16Å; H153-E156 HydrophobicContact CB-CB 4.17Å; H153-E156 HydrophobicContact CB-CG 3.84Å; H153-E156 PolarHBondContact N-OE2 3.34Å; H153-E156 WeakPolarHBondContact O-CB 3.24Å; H153-E156 PolarHBondContact O-N 2.72Å; H153-H185 PolarHBondContact O-NE2 3.07Å
154I82.1Confident82.1Confident8 Ų869.9 Ų69.94%0.04137%0.374CS..THydrogen-bonded Turntrans-67.2-29.1-171.8-164.160.5000112.8I142 D145 C147 V175 A183 H185I142-I154 HydrophobicContact CD1-CG2 4.41Å; D145-I154 WeakPolarHBondContact O-CB 3.43Å; D145-I154 PolarHBondContact O-N 3.46Å; C147-I154 HydrophobicContact CB-CD1 4.26Å; I154-V175 HydrophobicContact CD1-CG1 3.91Å; I154-V175 HydrophobicContact CD1-CG2 4.17Å; I154-V175 HydrophobicContact CG1-CB 4.45Å; I154-V175 HydrophobicContact CG1-CG1 3.76Å; I154-V175 HydrophobicContact CG1-CG2 3.8Å; I154-A183 HydrophobicContact CD1-CB 3.75Å; I154-A183 HydrophobicContact CG1-CB 3.79Å; I154-H185 PolarHBondContact O-NE2 3.14Å
155M82.5Confident82.3Confident157 Ų15774.4 Ų74.477%0.77339%0.389SS*.THydrogen-bonded Turntrans-82.5-13.5173.8-60.7-68.3-67.300113.1H153H153-M155 VanDerWaalsContact C-N 3.26Å; H153-M155 WeakPolarHBondContact ND1-CB 3.18Å; H153-M155 PolarHBondContact ND1-N 3.03Å; H153-M155 PolarHBondContact O-N 3.16Å
156E81.4Confident81.5Confident112 Ų11272 Ų7252%0.52339%0.385SS..SBendtrans-84.5160.7173.5-70.4176.3168.900110.4H153 H185H153-E156 HydrophobicContact CB-CB 4.17Å; H153-E156 HydrophobicContact CB-CG 3.84Å; H153-E156 PolarHBondContact N-OE2 3.34Å; H153-E156 WeakPolarHBondContact O-CB 3.24Å; H153-E156 PolarHBondContact O-N 2.72Å; E156-H185 PolarHBondContact O-NE2 3.08Å
157L83.3Confident80.4Confident87 Ų8774.4 Ų74.446%0.45540%0.403SS..PPolyproline II helixtrans-65145.3174.9-68.785.4000110.1N152 C161 N170N152-L157 PolarHBondContact ND2-O 3.15Å; N152-L157 VanDerWaalsContact ND2-O 3.15Å; L157-C161 HydrophobicContact CB-CB 4.06Å; L157-C161 HydrophobicContact CD2-CB 3.92Å; L157-N170 HydrophobicContact CD2-CB 4.45Å
158C87.2Confident78.9Confident0 Ų076.3 Ų76.30%042%0.423CS..PPolyproline II helixtrans-63.3160.117379.40000111.7E160 C161 Q162 C173 H185C158-E160 PolarHBondContact O-N 3.42Å; C158-E160 VanDerWaalsContact O-N 3.07Å; C158-C161 PolarHBondContact O-N 3.5Å; C158-C161 VanDerWaalsContact O-N 3.09Å; C158-C161 PolarHBondContact SG-N 3.19Å; C158-C161 VanDerWaalsContact SG-SG 3.6Å; C158-Q162 WeakPolarHBondContact O-CB 3.17Å; C158-Q162 PolarHBondContact O-N 2.88Å; C158-C173 PolarHBondContact SG-SG 3.11Å; C158-H185 HydrophobicContact CB-CB 3.65Å; C158-H185 VanDerWaalsContact CB-CG 3.5Å; C158-H185 WeakPolarHBondContact CB-ND1 3.08Å
159I85.7Confident78Confident96 Ų9678.1 Ų78.149%0.49243%0.428SS..Hα-helixtrans-55.1-30.9-178.3-165.3165.6000113.7C150 A163C150-I159 HydrophobicContact CB-CB 4.25Å; C150-I159 HydrophobicContact CB-CG2 3.98Å; I159-A163 VanDerWaalsContact O-CB 3.27Å; I159-A163 WeakPolarHBondContact O-CB 3.15Å; I159-A163 PolarHBondContact O-N 3.23Å
160E81.8Confident76.9Confident65 Ų6578.3 Ų78.330%0.30443%0.426SS..Hα-helixtrans-74.7-43179.2-60.9-175.1150.900112C158 Q162 A163 A164 R191C158-E160 PolarHBondContact O-N 3.42Å; C158-E160 VanDerWaalsContact O-N 3.07Å; E160-Q162 VanDerWaalsContact C-N 3.32Å; E160-A163 PolarHBondContact O-N 3.15Å; E160-A164 WeakPolarHBondContact O-CB 3.44Å; E160-A164 PolarHBondContact O-N 3.13Å; E160-R191 WeakPolarHBondContact OE1-CD 3.29Å; E160-R191 IonicContact OE1-CZ 3.43Å; E160-R191 IonicContact OE1-NE 3.55Å; E160-R191 IonicContact OE1-NH1 2.71Å; E160-R191 PolarHBondContact OE1-NH1 3.06Å
161C85.4Confident75.8Confident10 Ų1086 Ų867%0.06846%0.46CS..Hα-helixtrans-68.8-34.5175.1-67.50000111.6L157 C158 A164 G166 H187L157-C161 HydrophobicContact CB-CB 4.06Å; L157-C161 HydrophobicContact CD2-CB 3.92Å; C158-C161 PolarHBondContact O-N 3.5Å; C158-C161 VanDerWaalsContact O-N 3.09Å; C158-C161 PolarHBondContact SG-N 3.19Å; C158-C161 VanDerWaalsContact SG-SG 3.6Å; C161-A164 PolarHBondContact O-N 3.18Å; C161-G166 PolarHBondContact O-N 3.29Å; C161-H187 PolarHBondContact SG-ND1 2.93Å; C161-H187 VanDerWaalsContact SG-ND1 3.36Å
162Q83Confident75.4Confident121 Ų12181.7 Ų81.757%0.56545%0.449SS*.Hα-helixtrans-65.3-43.9173.3-170.9176.81.300111.4N152 C158 E160 A164 Q165N152-Q162 PolarHBondContact ND2-OE1 3.11Å; N152-Q162 VanDerWaalsContact ND2-OE1 3.07Å; C158-Q162 WeakPolarHBondContact O-CB 3.17Å; C158-Q162 PolarHBondContact O-N 2.88Å; E160-Q162 VanDerWaalsContact C-N 3.32Å; Q162-A164 VanDerWaalsContact C-N 3.34Å; Q162-A164 PolarHBondContact O-N 2.78Å; Q162-Q165 PolarHBondContact O-N 3.06Å
163A78.3Confident75.2Confident79 Ų7981.2 Ų81.265%0.65345%0.448SS*.Hα-helixtrans-66-34.6176.200000112.8I159 E160 Q165I159-A163 VanDerWaalsContact O-CB 3.27Å; I159-A163 WeakPolarHBondContact O-CB 3.15Å; I159-A163 PolarHBondContact O-N 3.23Å; E160-A163 PolarHBondContact O-N 3.15Å; A163-Q165 PolarHBondContact O-N 3.33Å; A163-Q165 VanDerWaalsContact O-N 3.12Å
164A76Confident75.2Confident39 Ų3981.8 Ų81.832%0.32246%0.457SS..THydrogen-bonded Turntrans-72.66.6175.700000114E160 C161 Q162 G166 T167E160-A164 WeakPolarHBondContact O-CB 3.44Å; E160-A164 PolarHBondContact O-N 3.13Å; C161-A164 PolarHBondContact O-N 3.18Å; Q162-A164 VanDerWaalsContact C-N 3.34Å; Q162-A164 PolarHBondContact O-N 2.78Å; A164-G166 PolarHBondContact O-N 3.24Å; A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 3.34Å; A164-T167 PolarHBondContact O-OG1 3.21Å
165Q66.8Low75.3Confident172 Ų17284.2 Ų84.280%0.80447%0.471SS*.THydrogen-bonded Turntrans47.835.2-179.1-60.8-1748.400113.3Q162 A163 T167Q162-Q165 PolarHBondContact O-N 3.06Å; A163-Q165 PolarHBondContact O-N 3.33Å; A163-Q165 VanDerWaalsContact O-N 3.12Å; Q165-T167 PolarHBondContact O-N 3.21Å; Q165-T167 VanDerWaalsContact O-N 3.12Å
166G59.3Low75.3Confident38 Ų3877.8 Ų77.839%0.39244%0.444SS..THydrogen-bonded Turntrans64.312.9-179.500000115.7C161 A164 N170C161-G166 PolarHBondContact O-N 3.29Å; A164-G166 PolarHBondContact O-N 3.24Å; G166-N170 WeakPolarHBondContact CA-ND2 3.44Å; G166-N170 PolarHBondContact O-ND2 3.18Å
167T60.7Low75.2Confident126 Ų12677.8 Ų77.877%0.77344%0.439SS*.  trans-82.7-15.8179.262.70000113.7A164 Q165A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 3.34Å; A164-T167 PolarHBondContact O-OG1 3.21Å; Q165-T167 PolarHBondContact O-N 3.21Å; Q165-T167 VanDerWaalsContact O-N 3.12Å
168G54Low74.8Confident40 Ų4074.8 Ų74.841%0.41243%0.429SS..SBendtrans-87.7165.9170.800000112.2N170G168-N170 VanDerWaalsContact C-N 3.26Å; G168-N170 PolarHBondContact O-N 3.12Å
169T63.8Low74.3Confident102 Ų10282.3 Ų82.363%0.62648%0.475SS*.  trans-62.482.2176.848.50000111.1E171 E172T169-E171 PolarHBondContact O-N 3.21Å; T169-E172 PolarHBondContact O-N 2.89Å
170N60.5Low74Confident63 Ų6381.4 Ų81.434%0.33748%0.476SS..G310 helixtrans-58.7-19.4175.8-61.2-47.7000112.1L157 G166 G168 E172 C173L157-N170 HydrophobicContact CD2-CB 4.45Å; G166-N170 WeakPolarHBondContact CA-ND2 3.44Å; G166-N170 PolarHBondContact O-ND2 3.18Å; G168-N170 VanDerWaalsContact C-N 3.26Å; G168-N170 PolarHBondContact O-N 3.12Å; N170-E172 PolarHBondContact O-N 2.94Å; N170-C173 PolarHBondContact O-N 3.47Å; N170-C173 VanDerWaalsContact O-N 3.13Å
171E66.5Low73.5Confident181 Ų18181.9 Ų81.985%0.84648%0.481SS*.G310 helixtrans-59.6-23.9179.7-57.6-176.1-176.400113.4T169T169-E171 PolarHBondContact O-N 3.21Å
172E75.6Confident73.3Confident119 Ų11985.1 Ų85.156%0.55649%0.494SS*.G310 helixtrans-89.2-14.4-179.7-165.3170.7-177.400113T169 N170 T174 L186T169-E172 PolarHBondContact O-N 2.89Å; N170-E172 PolarHBondContact O-N 2.94Å; E172-T174 PolarHBondContact O-N 2.71Å; E172-L186 HydrophobicContact CG-CD2 4.27Å; E172-L186 VanDerWaalsContact O-CD2 3.27Å; E172-L186 WeakPolarHBondContact O-CD2 3.17Å
173C80.6Confident73.2Confident24 Ų2479.6 Ų79.616%0.16247%0.47CS..  trans-8257.3-176.9-153.60000112.8C158 N170 H187C158-C173 PolarHBondContact SG-SG 3.11Å; N170-C173 PolarHBondContact O-N 3.47Å; N170-C173 VanDerWaalsContact O-N 3.13Å; C173-H187 PolarHBondContact SG-ND1 3.3Å
174T84.3Confident73.8Confident79 Ų7977.4 Ų77.449%0.48545%0.445SS..PPolyproline II helixtrans-79.5165.3178.858.20000112.2E172 L186E172-T174 PolarHBondContact O-N 2.71Å; T174-L186 WeakPolarHBondContact O-CB 3.5Å; T174-L186 PolarHBondContact O-N 2.87Å
175V83.7Confident74.4Confident58 Ų5875.7 Ų75.735%0.35243%0.431SS..EExtended strand (participates in β ladder)trans-80.1120.2176.9179.10000109.8I154 A183 F184I154-V175 HydrophobicContact CD1-CG1 3.91Å; I154-V175 HydrophobicContact CD1-CG2 4.17Å; I154-V175 HydrophobicContact CG1-CB 4.45Å; I154-V175 HydrophobicContact CG1-CG1 3.76Å; I154-V175 HydrophobicContact CG1-CG2 3.8Å; V175-A183 HydrophobicContact CG1-CB 4.02Å; V175-F184 CarbonylContact C-O 3.59Å
176A83.1Confident75.4Confident23 Ų2370 Ų7019%0.1941%0.405CS..EExtended strand (participates in β ladder)trans-101.9136.1174.400000110.4F184 L186 I189A176-F184 PolarHBondContact N-O 3.35Å; A176-F184 PolarHBondContact O-N 2.91Å; A176-L186 HydrophobicContact CB-CD1 4.07Å; A176-I189 HydrophobicContact CB-CG2 4.12Å
177W78.6Confident76.9Confident112 Ų11270 Ų7042%0.42440%0.396SS..EExtended strand (participates in β ladder)trans-108.4131.6-178.8-74.387.1000111.4I142 N181 A183I142-W177 HydrophobicContact CB-CH2 4.43Å; I142-W177 HydrophobicContact CG1-CH2 4.04Å; I142-W177 HydrophobicContact CG1-CZ2 4.43Å; I142-W177 HydrophobicContact CG2-CH2 4.36Å; W177-N181 VanDerWaalsContact CZ3-O 3.31Å; W177-N181 WeakPolarHBondContact CZ3-O 3.26Å; W177-A183 HydrophobicContact CD2-CB 4.25Å; W177-A183 HydrophobicContact CE3-CB 4.23Å; W177-A183 HydrophobicContact CH2-CB 4.04Å; W177-A183 HydrophobicContact CZ2-CB 4.02Å; W177-A183 HydrophobicContact CZ3-CB 4.14Å
178G75.6Confident78.2Confident24 Ų2464.4 Ų64.425%0.24736%0.361CS..  trans-81.5156.2167.700000111.9C180 N181 H182G178-C180 PolarHBondContact O-N 3.08Å; G178-C180 VanDerWaalsContact O-N 3.08Å; G178-N181 PolarHBondContact O-N 2.96Å; G178-H182 PolarHBondContact N-O 3.02Å
179V76.6Confident79.8Confident158 Ų15864.2 Ų64.296%0.95835%0.35SS*.THydrogen-bonded Turntrans-58-19.2169.8-67.10000113.2N181V179-N181 VanDerWaalsContact C-N 3.3Å
180C78.9Confident80.9Confident77 Ų7761.7 Ų61.752%0.5234%0.337SS..THydrogen-bonded Turntrans-8815.2174.859.90000113.8G178 H182G178-C180 PolarHBondContact O-N 3.08Å; G178-C180 VanDerWaalsContact O-N 3.08Å; C180-H182 PolarHBondContact O-N 3.01Å; C180-H182 VanDerWaalsContact O-N 3.14Å; C180-H182 PolarHBondContact O-ND1 2.99Å; C180-H182 VanDerWaalsContact O-ND1 3.12Å; C180-H182 PolarHBondContact SG-ND1 3.43Å
181N73.1Confident82.1Confident75 Ų7566.2 Ų66.240%0.40135%0.349SS..SBendtrans57.720.1-177.5-7710.2000115.7W177 G178 V179W177-N181 VanDerWaalsContact CZ3-O 3.31Å; W177-N181 WeakPolarHBondContact CZ3-O 3.26Å; G178-N181 PolarHBondContact O-N 2.96Å; V179-N181 VanDerWaalsContact C-N 3.3Å
182H80.7Confident83Confident77 Ų7763 Ų6336%0.35633%0.329SS..  trans-86136.1168.3-7083.7000109.8G178 C180 F184G178-H182 PolarHBondContact N-O 3.02Å; C180-H182 PolarHBondContact O-N 3.01Å; C180-H182 VanDerWaalsContact O-N 3.14Å; C180-H182 PolarHBondContact O-ND1 2.99Å; C180-H182 VanDerWaalsContact O-ND1 3.12Å; C180-H182 PolarHBondContact SG-ND1 3.43Å; H182-F184 HydrophobicContact CB-CD2 4.43Å; H182-F184 HydrophobicContact CB-CE1 4.48Å; H182-F184 HydrophobicContact CB-CE2 3.5Å; H182-F184 HydrophobicContact CB-CZ 3.54Å; H182-F184 WeakPolarHBondContact O-CE2 3.22Å
183A81.5Confident83.5Confident6 Ų661.2 Ų61.25%0.0532%0.323CS..EExtended strand (participates in β ladder)trans-96.9137.4174.300000110.1I154 V175 W177I154-A183 HydrophobicContact CD1-CB 3.75Å; I154-A183 HydrophobicContact CG1-CB 3.79Å; V175-A183 HydrophobicContact CG1-CB 4.02Å; W177-A183 HydrophobicContact CD2-CB 4.25Å; W177-A183 HydrophobicContact CE3-CB 4.23Å; W177-A183 HydrophobicContact CH2-CB 4.04Å; W177-A183 HydrophobicContact CZ2-CB 4.02Å; W177-A183 HydrophobicContact CZ3-CB 4.14Å
184F89.1Confident83.7Confident32 Ų3267.7 Ų67.714%0.1435%0.348CS..EExtended strand (participates in β ladder)trans-135.4154.3178.8-53.3-88.6000109.2A148 V149 V175 A176 H182 I189A148-F184 HydrophobicContact CB-CD1 4.33Å; A148-F184 HydrophobicContact CB-CE1 3.75Å; V149-F184 HydrophobicContact CG2-CD1 3.78Å; V149-F184 HydrophobicContact CG2-CE1 4.08Å; V175-F184 CarbonylContact C-O 3.59Å; A176-F184 PolarHBondContact N-O 3.35Å; A176-F184 PolarHBondContact O-N 2.91Å; H182-F184 HydrophobicContact CB-CD2 4.43Å; H182-F184 HydrophobicContact CB-CE1 4.48Å; H182-F184 HydrophobicContact CB-CE2 3.5Å; H182-F184 HydrophobicContact CB-CZ 3.54Å; H182-F184 WeakPolarHBondContact O-CE2 3.22Å; F184-I189 HydrophobicContact CB-CB 4.15Å
185H89.2Confident83.5Confident3 Ų367.8 Ų67.81%0.01435%0.349CS..EExtended strand (participates in β ladder)trans-70.5140.7162.3-54.9112.9000109.8C147 C150 H153 I154 E156 C158 H187 C188 I189C147-H185 VanDerWaalsContact CB-ND1 3.34Å; C147-H185 WeakPolarHBondContact CB-ND1 3.45Å; C147-H185 PolarHBondContact SG-ND1 3.44Å; C147-H185 VanDerWaalsContact SG-ND1 3.39Å; C150-H185 VanDerWaalsContact SG-CE1 3.52Å; C150-H185 PolarHBondContact SG-ND1 2.96Å; H153-H185 PolarHBondContact O-NE2 3.07Å; I154-H185 PolarHBondContact O-NE2 3.14Å; E156-H185 PolarHBondContact O-NE2 3.08Å; C158-H185 HydrophobicContact CB-CB 3.65Å; C158-H185 VanDerWaalsContact CB-CG 3.5Å; C158-H185 WeakPolarHBondContact CB-ND1 3.08Å; H185-H187 VanDerWaalsContact C-N 3.25Å; H185-H187 PolarHBondContact O-N 3.44Å; H185-C188 HydrophobicContact CB-CB 4.13Å; H185-C188 WeakPolarHBondContact O-CB 3.38Å; H185-C188 PolarHBondContact O-N 3.04Å; H185-I189 PolarHBondContact O-N 3.4Å; H185-I189 VanDerWaalsContact O-N 3.1Å
186L89.1Confident82.8Confident52 Ų5272.2 Ų72.227%0.27236%0.359SS..Hα-helixtrans-55.9-40.5-178-172.767.2000112.2E172 T174 A176 I189 S190E172-L186 HydrophobicContact CG-CD2 4.27Å; E172-L186 VanDerWaalsContact O-CD2 3.27Å; E172-L186 WeakPolarHBondContact O-CD2 3.17Å; T174-L186 WeakPolarHBondContact O-CB 3.5Å; T174-L186 PolarHBondContact O-N 2.87Å; A176-L186 HydrophobicContact CB-CD1 4.07Å; L186-I189 VanDerWaalsContact O-CG2 3.3Å; L186-I189 WeakPolarHBondContact O-CG2 3.48Å; L186-S190 VanDerWaalsContact O-CB 3.25Å; L186-S190 WeakPolarHBondContact O-CB 3.42Å; L186-S190 PolarHBondContact O-N 2.94Å; L186-S190 PolarHBondContact O-OG 3.39Å
187H89.3Confident81.6Confident40 Ų4077.4 Ų77.419%0.18538%0.379CS..Hα-helixtrans-65.9-42176.8-64.4164.6000112.3C161 C173 H185 I189 S190 R191C161-H187 PolarHBondContact SG-ND1 2.93Å; C161-H187 VanDerWaalsContact SG-ND1 3.36Å; C173-H187 PolarHBondContact SG-ND1 3.3Å; H185-H187 VanDerWaalsContact C-N 3.25Å; H185-H187 PolarHBondContact O-N 3.44Å; H187-I189 PolarHBondContact O-N 2.89Å; H187-S190 PolarHBondContact O-N 2.73Å; H187-R191 PolarHBondContact O-N 2.97Å
188C88.8Confident80.2Confident7 Ų775.8 Ų75.85%0.04739%0.385CS..Hα-helixtrans-62.5-45.4179.9-69.60000112.5V149 H185 W192V149-C188 HydrophobicContact CB-CB 3.83Å; V149-C188 HydrophobicContact CG1-CB 3.8Å; V149-C188 HydrophobicContact CG2-CB 4.43Å; H185-C188 HydrophobicContact CB-CB 4.13Å; H185-C188 WeakPolarHBondContact O-CB 3.38Å; H185-C188 PolarHBondContact O-N 3.04Å; C188-W192 WeakPolarHBondContact O-CB 3.45Å; C188-W192 PolarHBondContact O-N 3.37Å; C188-W192 VanDerWaalsContact O-N 3.17Å
189I87.9Confident78.9Confident37 Ų3781.2 Ų81.219%0.1941%0.409CS..Hα-helixtrans-71.2-38178.6-169.762.3000111.7A176 F184 H185 L186 H187 R191 W192 L193A176-I189 HydrophobicContact CB-CG2 4.12Å; F184-I189 HydrophobicContact CB-CB 4.15Å; H185-I189 PolarHBondContact O-N 3.4Å; H185-I189 VanDerWaalsContact O-N 3.1Å; L186-I189 VanDerWaalsContact O-CG2 3.3Å; L186-I189 WeakPolarHBondContact O-CG2 3.48Å; H187-I189 PolarHBondContact O-N 2.89Å; I189-R191 VanDerWaalsContact C-N 3.35Å; I189-R191 PolarHBondContact O-N 3.45Å; I189-W192 HydrophobicContact CD1-CE3 4.16Å; I189-W192 PolarHBondContact O-N 3.27Å; I189-L193 HydrophobicContact CG1-CD1 4.35Å; I189-L193 WeakPolarHBondContact O-CG 3.48Å; I189-L193 PolarHBondContact O-N 3.23Å
190S86.4Confident77.6Confident48 Ų4877.6 Ų77.634%0.33639%0.39SS..Hα-helixtrans-62.1-41.5178.8-63.10000112.2L186 H187 K194L186-S190 VanDerWaalsContact O-CB 3.25Å; L186-S190 WeakPolarHBondContact O-CB 3.42Å; L186-S190 PolarHBondContact O-N 2.94Å; L186-S190 PolarHBondContact O-OG 3.39Å; H187-S190 PolarHBondContact O-N 2.73Å; S190-K194 WeakPolarHBondContact O-CG 3.4Å; S190-K194 PolarHBondContact O-N 3.42Å
191R85.2Confident75.7Confident158 Ų15880.6 Ų80.660%0.59640%0.401SS*.Hα-helixtrans-68.2-43.6175.5-174.6169.3-173.2137.15.5112.1E160 H187 I189 L193 K194 T195E160-R191 WeakPolarHBondContact OE1-CD 3.29Å; E160-R191 IonicContact OE1-CZ 3.43Å; E160-R191 IonicContact OE1-NE 3.55Å; E160-R191 IonicContact OE1-NH1 2.71Å; E160-R191 PolarHBondContact OE1-NH1 3.06Å; H187-R191 PolarHBondContact O-N 2.97Å; I189-R191 VanDerWaalsContact C-N 3.35Å; I189-R191 PolarHBondContact O-N 3.45Å; R191-L193 VanDerWaalsContact C-N 3.29Å; R191-L193 PolarHBondContact O-N 3.38Å; R191-K194 PolarHBondContact O-N 3.2Å; R191-T195 PolarHBondContact O-N 2.86Å; R191-T195 VanDerWaalsContact O-N 3.13Å; R191-T195 PolarHBondContact O-OG1 2.7Å; R191-T195 VanDerWaalsContact O-OG1 3.13Å
192W86Confident73.9Confident114 Ų11485.7 Ų85.743%0.43242%0.423SS..Hα-helixtrans-59.8-39.6178.2-174.892.7000112.3C188 I189 T195 R196C188-W192 WeakPolarHBondContact O-CB 3.45Å; C188-W192 PolarHBondContact O-N 3.37Å; C188-W192 VanDerWaalsContact O-N 3.17Å; I189-W192 HydrophobicContact CD1-CE3 4.16Å; I189-W192 PolarHBondContact O-N 3.27Å; W192-T195 PolarHBondContact O-N 3.35Å; W192-R196 VanDerWaalsContact CE2-NH1 3.32Å; W192-R196 PolarHBondContact O-N 3.42Å
193L86.6Confident71.7Confident81 Ų8191.9 Ų91.942%0.42445%0.448SS..Hα-helixtrans-63-45.1174.4-73169.4000111.9I189 R191 T195 R196 H197I189-L193 HydrophobicContact CG1-CD1 4.35Å; I189-L193 WeakPolarHBondContact O-CG 3.48Å; I189-L193 PolarHBondContact O-N 3.23Å; R191-L193 VanDerWaalsContact C-N 3.29Å; R191-L193 PolarHBondContact O-N 3.38Å; L193-T195 VanDerWaalsContact C-N 3.29Å; L193-T195 PolarHBondContact O-N 3.48Å; L193-R196 PolarHBondContact O-N 3.01Å; L193-H197 PolarHBondContact O-CD2 3.05Å; L193-H197 PolarHBondContact O-N 3.45Å
194K85Confident69.2Low160 Ų16098.1 Ų98.170%0.69649%0.486SS*.Hα-helixtrans-59.5-37.7178.6-72.6174.5-177.8178.60112.7S190 R191 R196S190-K194 WeakPolarHBondContact O-CG 3.4Å; S190-K194 PolarHBondContact O-N 3.42Å; R191-K194 PolarHBondContact O-N 3.2Å; K194-R196 VanDerWaalsContact C-N 3.35Å
195T78.3Confident66.5Low81 Ų81105.8 Ų105.850%0.49752%0.523SS..Hα-helixtrans-71.9-25.3179.7-48.10000113.3R191 W192 L193 S198R191-T195 PolarHBondContact O-N 2.86Å; R191-T195 VanDerWaalsContact O-N 3.13Å; R191-T195 PolarHBondContact O-OG1 2.7Å; R191-T195 VanDerWaalsContact O-OG1 3.13Å; W192-T195 PolarHBondContact O-N 3.35Å; L193-T195 VanDerWaalsContact C-N 3.29Å; L193-T195 PolarHBondContact O-N 3.48Å; T195-S198 PolarHBondContact O-OG 2.95Å
196R70.6Confident63.6Low151 Ų151111 Ų11157%0.5757%0.566SS**Hα-helixtrans-85.9-27.5178.2-67.5-163.7113.4104.33.2113.8W192 L193 K194 S198 D199W192-R196 VanDerWaalsContact CE2-NH1 3.32Å; W192-R196 PolarHBondContact O-N 3.42Å; L193-R196 PolarHBondContact O-N 3.01Å; K194-R196 VanDerWaalsContact C-N 3.35Å; R196-S198 PolarHBondContact O-N 3.48Å; R196-D199 PolarHBondContact O-N 3.23Å
197H56.8Low60.9Low132 Ų132112.5 Ų112.561%0.61159%0.594SS**Hα-helixtrans-71-18.8175.5-75.2-65.8000112.9L193 S200L193-H197 PolarHBondContact O-CD2 3.05Å; L193-H197 PolarHBondContact O-N 3.45Å; H197-S200 PolarHBondContact O-OG 3.08Å; H197-S200 VanDerWaalsContact O-OG 3.08Å
198S50.4Low58.1Low78 Ų78119.3 Ų119.355%0.54563%0.626SS.*THydrogen-bonded Turntrans-80.9-15174.5530000114.7T195 R196T195-S198 PolarHBondContact O-OG 2.95Å; R196-S198 PolarHBondContact O-N 3.48Å
199D48.2Very low55.2Low139 Ų139125.3 Ų125.374%0.74366%0.657SS**SBendtrans-90.7-4.1-178.6-74.9-11.9000113.1R196R196-D199 PolarHBondContact O-N 3.23Å
200S47.9Very low52.4Low82 Ų82129.3 Ų129.357%0.57368%0.684SS**SBendtrans-90.4-2.6-178.641.60000115.3H197 E202H197-S200 PolarHBondContact O-OG 3.08Å; H197-S200 VanDerWaalsContact O-OG 3.08Å; S200-E202 PolarHBondContact O-N 3.36Å
201D40.2Very low49.7Very low139 Ų139134.7 Ų134.774%0.74370%0.703SS**  trans-98.933.4-173.7-68.6-31.9000114.4
202E35Very low47Very low183 Ų183135.1 Ų135.186%0.85571%0.712SS**SBendtrans-129.764.8168.7-153.7176.4-164.700111.8S200S200-E202 PolarHBondContact O-N 3.36Å
203K35.4Very low44.5Very low206 Ų206139 Ų13990%0.89673%0.732SS**  trans-179.187.5146.3-104.3170.6-178179.60110.6
204T27.9Very low41.9Very low138 Ų138140.3 Ų140.385%0.84775%0.748SS**  trans-99.6103165.432.60000109.3
205E32.3Very low39.7Very low193 Ų193136.9 Ų136.990%0.90274%0.744SS**  trans-128.1109.7153.8-77.6-169170.800109
206A29.4Very low37.6Very low112 Ų112138.4 Ų138.493%0.92676%0.758SS**  trans43.5111.2149.700000120.6
207G32.2Very low36.2Very low83 Ų83137.2 Ų137.286%0.85677%0.768SS**  trans175.189.7159.900000111.6
208E29.4Very low35.1Very low184 Ų184139.7 Ų139.786%0.8678%0.777SS**  trans-75.1135.4-179.6-161.3172.7-17500112
209N27.6Very low34.7Very low132 Ų132143.8 Ų143.871%0.70679%0.793SS**  trans7.7133.4157.5-62.1-39.5000119.7
210T29.8Very low34.2Very low121 Ų121144 Ų14474%0.74279%0.794SS**  -179130.599.421.60000113.3
211E28.7Very low34.1Very low161 Ų161142.4 Ų142.475%0.75279%0.791SS**  trans70.4115.1134.5-68.6173.7-175.300122.6
212E29.6Very low34.4Very low167 Ų167142.3 Ų142.378%0.7880%0.795SS**  trans71.9101.8131.7-61.4-168.5173.500119.6
213K34.2Very low35.3Very low196 Ų196142 Ų14285%0.85279%0.791SS**  -13994.1124.8-134.6173.4-172174.60111.1S215K213-S215 PolarHBondContact O-N 2.78Å
214S31.8Very low36.1Very low109 Ų109137.1 Ų137.176%0.76278%0.781SS**  trans-64.4112.3152.650.30000108.1
215S37.8Very low38Very low87 Ų87143 Ų14361%0.60879%0.787SS**  trans-148.793.7151.369.40000108.2K213 T217K213-S215 PolarHBondContact O-N 2.78Å; S215-T217 VanDerWaalsContact C-N 3.31Å; S215-T217 PolarHBondContact O-N 2.83Å
216S35.4Very low39.4Very low114 Ų114141.4 Ų141.480%0.79778%0.778SS**  trans-53.293.3158.6400000109.6K218S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 3.33Å
217T39.8Very low41.1Very low126 Ų126143.8 Ų143.877%0.77377%0.769SS**  trans-71.596.4159.7-50.90000106.7S215 N219S215-T217 VanDerWaalsContact C-N 3.31Å; S215-T217 PolarHBondContact O-N 2.83Å; T217-N219 PolarHBondContact O-N 2.92Å
218K35.1Very low42.8Very low184 Ų184145.1 Ų145.180%0.876%0.756SS**  trans-47.6104.9160.4-68.6174.7177.4175.70107.7S216 D220S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 3.33Å; K218-D220 PolarHBondContact O-N 2.67Å
219N42.1Very low44.5Very low163 Ų163144.5 Ų144.587%0.87275%0.75SS**  trans-87.272.5158.6-1407.1000106.2T217T217-N219 PolarHBondContact O-N 2.92Å
220D37.4Very low46.1Very low144 Ų144145.7 Ų145.777%0.7775%0.749SS**  trans-67.1135.5159.3178.443.4000107.4K218K218-D220 PolarHBondContact O-N 2.67Å
221G44.8Very low47.8Very low49 Ų49145.5 Ų145.551%0.50575%0.748SS.*  trans138.158.7-170.200000111.4K223G221-K223 VanDerWaalsContact C-N 3.28Å; G221-K223 PolarHBondContact O-N 2.76Å
222T47.2Very low49.3Very low136 Ų136146.4 Ų146.483%0.83475%0.745SS**  trans-26.782.3153.337.90000113.5P224T222-P224 WeakPolarHBondContact O-CD 3.14Å
223K54.4Low51.1Low176 Ų176142.3 Ų142.377%0.76575%0.748SS**  trans-76.7115.7158.8-72-176.4-178.9-175.50106.3G221 R225G221-K223 VanDerWaalsContact C-N 3.28Å; G221-K223 PolarHBondContact O-N 2.76Å; K223-R225 PolarHBondContact O-N 3.12Å; K223-R225 VanDerWaalsContact O-N 3.12Å
224P51.3Low52.6Low105 Ų105139 Ų13968%0.68274%0.744SS**  trans-57.1124.7174.823-30.4000107.4T222 F226T222-P224 WeakPolarHBondContact O-CD 3.14Å; P224-F226 PolarHBondContact O-N 2.76Å
225R68.4Low53.6Low260 Ų260138 Ų13898%0.98174%0.743SS**SBendtrans-62.310.5-174.7-71.3-172.4174.4-165.3-0.7114.6K223K223-R225 PolarHBondContact O-N 3.12Å; K223-R225 VanDerWaalsContact O-N 3.12Å
226F61.1Low54.3Low161 Ų161142.7 Ų142.771%0.70676%0.757SS**  trans-122.893.3-172.5-169.7-102.4000109.3P224 I228P224-F226 PolarHBondContact O-N 2.76Å; F226-I228 HydrophobicContact CD1-CG1 4.06Å; F226-I228 HydrophobicContact CE1-CD1 3.82Å; F226-I228 HydrophobicContact CE1-CG1 3.35Å; F226-I228 HydrophobicContact CZ-CD1 4.5Å; F226-I228 HydrophobicContact CZ-CG1 3.87Å
227E66.1Low56Low161 Ų161147 Ų14775%0.75276%0.756SS**  trans-103.4115.6166.6-71-178-178.200108.2K229E227-K229 PolarHBondContact O-N 3.29Å
228I67.4Low56.2Low112 Ų112146.3 Ų146.357%0.57476%0.756SS**  trans-70.8102.6173.4-58.7173.8000107.5F226 V231F226-I228 HydrophobicContact CD1-CG1 4.06Å; F226-I228 HydrophobicContact CE1-CD1 3.82Å; F226-I228 HydrophobicContact CE1-CG1 3.35Å; F226-I228 HydrophobicContact CZ-CD1 4.5Å; F226-I228 HydrophobicContact CZ-CG1 3.87Å; I228-V231 HydrophobicContact CG2-CG2 3.33Å
229K65.6Low57.2Low170 Ų170146.8 Ų146.874%0.73975%0.753SS**  trans-66-48.6-179-88.6-177.9176.8174.30112.4D141 E227D141-K229 IonicContact OD2-NZ 3.86Å; E227-K229 PolarHBondContact O-N 3.29Å
230K59.6Low57.7Low157 Ų157145 Ų14568%0.68374%0.744SS**  trans-153.2136.7-179.4-64.3-172.8-177.4174.20110.6Y232K230-Y232 HydrophobicContact CB-CE2 4.05Å; K230-Y232 HydrophobicContact CD-CE2 4.37Å; K230-Y232 WeakPolarHBondContact CD-OH 3.37Å
231V65.9Low58.8Low117 Ų117139.7 Ų139.771%0.70972%0.715SS**  trans-115124.7171.3-178.10000107.4I228I228-V231 HydrophobicContact CG2-CG2 3.33Å
232Y61.3Low59.4Low180 Ų180140.7 Ų140.771%0.70673%0.725SS**  trans-109.3115.4169.3-62.9-74.8000108.4K230 V234K230-Y232 HydrophobicContact CB-CE2 4.05Å; K230-Y232 HydrophobicContact CD-CE2 4.37Å; K230-Y232 WeakPolarHBondContact CD-OH 3.37Å; Y232-V234 PolarHBondContact O-N 2.81Å
233G66.9Low60.2Low82 Ų82137 Ų13785%0.84570%0.703SS**  trans-80.4111172.100000109.4
234V65.5Low61Low125 Ų125133.3 Ų133.376%0.75869%0.688SS**  trans-102127.8171.6-177.30000108.3Y232Y232-V234 PolarHBondContact O-N 2.81Å
235A52.6Low62.5Low89 Ų89131.8 Ų131.874%0.73667%0.674SS**  trans-116.2132.1174.700000109.2
236M52.9Low63.4Low185 Ų185119.4 Ų119.491%0.91163%0.628SS**  trans-106.2144.7172.1-63.2-172.5-64.400109.8
237W71.1Confident64.6Low205 Ų205114 Ų11478%0.77761%0.612SS**  trans-133145.6175.869.3-83.6000109.8W239W237-W239 AromaticContact CZ3-CD1 3.96Å; W237-W239 AromaticContact CZ3-CE2 3.97Å; W237-W239 HydrophobicContact CZ3-CZ2 4.45Å; W237-W239 AromaticContact CZ3-NE1 3.54Å
238S43.7Very low65.6Low111 Ų111108.9 Ų108.978%0.77659%0.592SS**  trans-145.8153173.362.40000110.4
239W56.2Low66.6Low194 Ų194104 Ų10474%0.73557%0.568SS**  trans-72.5135.1170.1-68.4106.7000109.2W237 I241W237-W239 AromaticContact CZ3-CD1 3.96Å; W237-W239 AromaticContact CZ3-CE2 3.97Å; W237-W239 HydrophobicContact CZ3-CZ2 4.45Å; W237-W239 AromaticContact CZ3-NE1 3.54Å; W239-I241 VanDerWaalsContact C-N 3.25Å; W239-I241 HydrophobicContact CB-CD1 3.96Å; W239-I241 HydrophobicContact CB-CG1 3.79Å; W239-I241 PolarHBondContact O-N 2.91Å
240N52Low67.7Low127 Ų127106.2 Ų106.268%0.67957%0.572SS**  trans-75.478.8175.8-177.425.2000110.4
241I60.7Low68.9Low32 Ų32100 Ų10016%0.16455%0.545CS..  trans-104.1119.4177.9-53.8-173.7000107.4W239 V243 I253 W276W239-I241 VanDerWaalsContact C-N 3.25Å; W239-I241 HydrophobicContact CB-CD1 3.96Å; W239-I241 HydrophobicContact CB-CG1 3.79Å; W239-I241 PolarHBondContact O-N 2.91Å; I241-V243 WeakPolarHBondContact CG2-O 3.5Å; I241-V243 PolarHBondContact O-N 3.43Å; I241-I253 HydrophobicContact CD1-CG2 4.4Å; I241-W276 HydrophobicContact CB-CH2 4.18Å; I241-W276 HydrophobicContact CD1-CH2 4Å; I241-W276 HydrophobicContact CD1-CZ2 4.03Å; I241-W276 HydrophobicContact CG1-CH2 3.71Å; I241-W276 HydrophobicContact CG1-CZ2 4.17Å; I241-W276 HydrophobicContact CG2-CH2 3.82Å
242G58.4Low69.7Low70 Ų7097.8 Ų97.872%0.72253%0.527SS*.SBendtrans-70.9-14.8-178.700000114.3
243V62.8Low70.7Confident59 Ų5989.4 Ų89.436%0.35850%0.495SS..  trans-148.7112.4-179.6-167.80000109.8I241 N245 L300I241-V243 WeakPolarHBondContact CG2-O 3.5Å; I241-V243 PolarHBondContact O-N 3.43Å; V243-N245 WeakPolarHBondContact CG1-O 3.49Å; V243-N245 PolarHBondContact O-N 3.31Å; V243-L300 HydrophobicContact CG2-CD1 4.28Å
244E71.2Confident71.4Confident98 Ų9893 Ų9346%0.45849%0.491SS..SBendtrans-69.9-19.3179.1-66.5-61.7156.600113.3H252 I253E244-H252 CarbonylContact O-C 3.55Å; E244-H252 WeakPolarHBondContact O-CA 3.48Å; E244-I253 PolarHBondContact O-N 2.94Å
245N83.9Confident72.2Confident73 Ų7390.1 Ų90.139%0.3947%0.47SS..BIsolated β-bridgetrans-112.3132.8-175.1-62.6-18.6000110.8V243 A247 N251 H252V243-N245 WeakPolarHBondContact CG1-O 3.49Å; V243-N245 PolarHBondContact O-N 3.31Å; N245-A247 PolarHBondContact O-N 3.37Å; N245-A247 VanDerWaalsContact O-N 3.13Å; N245-N251 WeakPolarHBondContact CA-O 3.27Å; N245-H252 PolarHBondContact OD1-CE1 3.14Å; N245-H252 PolarHBondContact OD1-ND1 3.12Å; N245-H252 VanDerWaalsContact OD1-ND1 3.13Å
246C87.6Confident73.7Confident0 Ų088.4 Ų88.40%045%0.448CS..  trans-64.5115.9175.4178.60000109.9V248 C249 R250 N251C246-V248 PolarHBondContact O-N 3.44Å; C246-C249 PolarHBondContact O-N 3.19Å; C246-R250 VanDerWaalsContact O-CA 3.24Å; C246-R250 WeakPolarHBondContact O-CA 3.38Å; C246-R250 PolarHBondContact O-N 2.95Å; C246-N251 PolarHBondContact N-O 2.75Å
247A85.6Confident75.4Confident46 Ų4679.6 Ų79.638%0.3840%0.404SS..THydrogen-bonded Turntrans-60.7-20.2-176.100000114.6N245 F283 L300N245-A247 PolarHBondContact O-N 3.37Å; N245-A247 VanDerWaalsContact O-N 3.13Å; A247-F283 HydrophobicContact CB-CE1 3.77Å; A247-L300 HydrophobicContact CB-CD2 4.04Å; A247-L300 HydrophobicContact CB-CG 4.23Å
248V86.2Confident76.1Confident55 Ų5574.2 Ų74.233%0.33339%0.39SS..THydrogen-bonded Turntrans-82.6-43.5-179.6-178.10000112C246 F283 C287 P299C246-V248 PolarHBondContact O-N 3.44Å; V248-F283 HydrophobicContact CG2-CD1 4.29Å; V248-C287 HydrophobicContact CB-CB 3.89Å; V248-C287 HydrophobicContact CG1-CB 3.91Å; V248-C287 HydrophobicContact CG2-CB 4.42Å; V248-P299 HydrophobicContact CG2-CG 3.92Å
249C89.5Confident78Confident10 Ų1072.9 Ų72.97%0.06837%0.371CS..THydrogen-bonded Turntrans-112.6-3.9-176.373.90000114.5C246 N251 I258 H284 C287C246-C249 PolarHBondContact O-N 3.19Å; C249-N251 PolarHBondContact O-N 3.03Å; C249-I258 HydrophobicContact CB-CD1 3.88Å; C249-I258 HydrophobicContact CB-CG1 3.96Å; C249-I258 WeakPolarHBondContact O-CD1 3.28Å; C249-H284 PolarHBondContact SG-CE1 3.27Å; C249-H284 PolarHBondContact SG-ND1 3.5Å; C249-C287 VanDerWaalsContact SG-SG 3.7Å
250R87.4Confident79.4Confident216 Ų21663.9 Ų63.982%0.81534%0.338SS*.  trans59.8-2.8179.9-57.5-177.5175.9167.4-2.8117C246C246-R250 VanDerWaalsContact O-CA 3.24Å; C246-R250 WeakPolarHBondContact O-CA 3.38Å; C246-R250 PolarHBondContact O-N 2.95Å
251N84.8Confident80.9Confident25 Ų2561 Ų6113%0.13432%0.32CS..SBendtrans-70.1157.6167.2-72.22.7000111.6N245 C246 C249 L256 Q261N245-N251 WeakPolarHBondContact CA-O 3.27Å; C246-N251 PolarHBondContact N-O 2.75Å; C249-N251 PolarHBondContact O-N 3.03Å; N251-L256 PolarHBondContact ND2-O 3.16Å; N251-Q261 PolarHBondContact ND2-OE1 3.42Å
252H83.6Confident81.7Confident72 Ų7263.7 Ų63.733%0.33335%0.348SS..BIsolated β-bridgetrans-55142.7169.7-84.8-66000111.1E244 N245 M254 E255 H284E244-H252 CarbonylContact O-C 3.55Å; E244-H252 WeakPolarHBondContact O-CA 3.48Å; N245-H252 PolarHBondContact OD1-CE1 3.14Å; N245-H252 PolarHBondContact OD1-ND1 3.12Å; N245-H252 VanDerWaalsContact OD1-ND1 3.13Å; H252-M254 PolarHBondContact O-N 3.08Å; H252-E255 HydrophobicContact CB-CB 4.15Å; H252-E255 HydrophobicContact CB-CG 3.85Å; H252-E255 WeakPolarHBondContact O-CB 3.36Å; H252-E255 PolarHBondContact O-N 2.96Å; H252-H284 PolarHBondContact O-CE1 3.2Å; H252-H284 PolarHBondContact O-NE2 3.34Å
253I83.3Confident82.6Confident3 Ų361.7 Ų61.72%0.01532%0.324CS..THydrogen-bonded Turntrans-63.2-24.3179.9-163.1159.9000113.1I241 E244 V274 H284I241-I253 HydrophobicContact CD1-CG2 4.4Å; E244-I253 PolarHBondContact O-N 2.94Å; I253-V274 HydrophobicContact CD1-CG1 3.55Å; I253-V274 HydrophobicContact CG1-CB 4.34Å; I253-V274 HydrophobicContact CG1-CG1 3.61Å; I253-V274 HydrophobicContact CG1-CG2 3.72Å; I253-V274 WeakPolarHBondContact O-CG2 3.47Å; I253-H284 PolarHBondContact O-NE2 2.97Å
254M81.3Confident82.7Confident158 Ų15866.1 Ų66.178%0.77834%0.335SS*.THydrogen-bonded Turntrans-85.9-14175.7-61.4-58.6-67.400112.7H252H252-M254 PolarHBondContact O-N 3.08Å
255E81.8Confident82.2Confident65 Ų6565 Ų6530%0.30435%0.35SS..SBendtrans-86.3166.2174.9-71.9-176178.400111R52 H252 H284R52-E255 IonicContact NH1-OE2 2.74Å; H252-E255 HydrophobicContact CB-CB 4.15Å; H252-E255 HydrophobicContact CB-CG 3.85Å; H252-E255 WeakPolarHBondContact O-CB 3.36Å; H252-E255 PolarHBondContact O-N 2.96Å; E255-H284 PolarHBondContact O-CD2 3.23Å; E255-H284 PolarHBondContact O-NE2 2.99Å
256L84.1Confident81.2Confident52 Ų5266.4 Ų66.427%0.27236%0.361SS..PPolyproline II helixtrans-71.1148.4172-64.293000109.9N251 C260 N269N251-L256 PolarHBondContact ND2-O 3.16Å; L256-C260 HydrophobicContact CB-CB 3.93Å; L256-C260 HydrophobicContact CD2-CB 3.91Å; L256-N269 HydrophobicContact CD2-CB 4.02Å
257C88Confident79.7Confident0 Ų069.1 Ų69.10%039%0.389CS..PPolyproline II helixtrans-61.7160.1172.673.80000111.8E259 C260 Q261 C272 H284 C287C257-E259 PolarHBondContact O-N 3.2Å; C257-E259 VanDerWaalsContact O-N 3.13Å; C257-C260 PolarHBondContact O-N 3.06Å; C257-C260 PolarHBondContact SG-N 2.86Å; C257-Q261 WeakPolarHBondContact O-CB 3.46Å; C257-Q261 PolarHBondContact O-N 3.29Å; C257-C272 PolarHBondContact N-SG 2.82Å; C257-C272 VanDerWaalsContact N-SG 3.41Å; C257-C272 PolarHBondContact SG-SG 2.83Å; C257-H284 HydrophobicContact CB-CB 3.88Å; C257-C287 VanDerWaalsContact CB-SG 3.54Å
258I85.6Confident78.4Confident92 Ų9271.8 Ų71.847%0.47240%0.4SS..Hα-helixtrans-52-39.4-179.5-68.1171.3000112.3C249 Q261 A262C249-I258 HydrophobicContact CB-CD1 3.88Å; C249-I258 HydrophobicContact CB-CG1 3.96Å; C249-I258 WeakPolarHBondContact O-CD1 3.28Å; I258-Q261 PolarHBondContact O-N 3.46Å; I258-A262 WeakPolarHBondContact O-CB 3.33Å; I258-A262 PolarHBondContact O-N 2.78Å
259E83.7Confident77.2Confident83 Ų8371.4 Ų71.439%0.38840%0.396SS..Hα-helixtrans-66.2-43.4-179.7-62.2178168.800111.8C257 A262 A263 R290C257-E259 PolarHBondContact O-N 3.2Å; C257-E259 VanDerWaalsContact O-N 3.13Å; E259-A262 PolarHBondContact O-N 3.4Å; E259-A263 VanDerWaalsContact O-CB 3.3Å; E259-A263 WeakPolarHBondContact O-CB 3.47Å; E259-A263 PolarHBondContact O-N 2.88Å; E259-R290 VanDerWaalsContact OE1-CD 3.25Å; E259-R290 WeakPolarHBondContact OE1-CD 3.26Å; E259-R290 IonicContact OE1-CZ 3.96Å; E259-R290 IonicContact OE1-NE 2.81Å; E259-R290 IonicContact OE1-NH1 2.68Å; E259-R290 PolarHBondContact OE1-NH1 3.13Å
260C86.3Confident76.1Confident6 Ų679.2 Ų79.24%0.04143%0.432CS..Hα-helixtrans-72.8-32175.6-73.80000112.3L256 C257 A263 R264 N269 C272 H286L256-C260 HydrophobicContact CB-CB 3.93Å; L256-C260 HydrophobicContact CD2-CB 3.91Å; C257-C260 PolarHBondContact O-N 3.06Å; C257-C260 PolarHBondContact SG-N 2.86Å; C260-A263 CarbonylContact O-C 3.52Å; C260-A263 PolarHBondContact O-N 3.46Å; C260-R264 WeakPolarHBondContact O-CG 3.32Å; C260-R264 PolarHBondContact O-N 2.93Å; C260-R264 VanDerWaalsContact O-N 3.16Å; C260-N269 WeakPolarHBondContact CB-OD1 3.04Å; C260-N269 PolarHBondContact O-OD1 3.03Å; C260-C272 HydrophobicContact CB-CB 4.26Å; C260-H286 PolarHBondContact SG-CE1 2.98Å; C260-H286 PolarHBondContact SG-ND1 3.49Å
261Q83Confident75.2Confident65 Ų6576 Ų7630%0.30442%0.424SS..Hα-helixtrans-65.4-40.9174-172.8177.2-13.100111.5N251 C257 I258 A263 R264N251-Q261 PolarHBondContact ND2-OE1 3.42Å; C257-Q261 WeakPolarHBondContact O-CB 3.46Å; C257-Q261 PolarHBondContact O-N 3.29Å; I258-Q261 PolarHBondContact O-N 3.46Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; Q261-R264 WeakPolarHBondContact O-CB 3.36Å; Q261-R264 VanDerWaalsContact O-CG 3.27Å; Q261-R264 WeakPolarHBondContact O-CG 3.45Å; Q261-R264 PolarHBondContact O-N 2.77Å
262A77.9Confident75Confident90 Ų9075.9 Ų75.974%0.74443%0.425SS*.Hα-helixtrans-69.1-32.8173.300000112.2I258 E259 R264I258-A262 WeakPolarHBondContact O-CB 3.33Å; I258-A262 PolarHBondContact O-N 2.78Å; E259-A262 PolarHBondContact O-N 3.4Å; A262-R264 VanDerWaalsContact C-N 3.28Å; A262-R264 PolarHBondContact O-N 3.07Å
263A76.6Confident75.1Confident27 Ų2776.4 Ų76.422%0.22343%0.433CS..THydrogen-bonded Turntrans-86.415.8177.300000114.2E259 C260 Q261 G265 T266E259-A263 VanDerWaalsContact O-CB 3.3Å; E259-A263 WeakPolarHBondContact O-CB 3.47Å; E259-A263 PolarHBondContact O-N 2.88Å; C260-A263 CarbonylContact O-C 3.52Å; C260-A263 PolarHBondContact O-N 3.46Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; A263-G265 PolarHBondContact O-N 3.39Å; A263-T266 PolarHBondContact O-N 3.26Å; A263-T266 VanDerWaalsContact O-N 3.12Å; A263-T266 PolarHBondContact O-OG1 3.15Å
264R65.1Low75.2Confident153 Ų15378.6 Ų78.658%0.57745%0.447SS*.THydrogen-bonded Turntrans-62.982.7173.8-76.7-179.5-179.4-158.84109.9C260 Q261 A262C260-R264 WeakPolarHBondContact O-CG 3.32Å; C260-R264 PolarHBondContact O-N 2.93Å; C260-R264 VanDerWaalsContact O-N 3.16Å; Q261-R264 WeakPolarHBondContact O-CB 3.36Å; Q261-R264 VanDerWaalsContact O-CG 3.27Å; Q261-R264 WeakPolarHBondContact O-CG 3.45Å; Q261-R264 PolarHBondContact O-N 2.77Å; A262-R264 VanDerWaalsContact C-N 3.28Å; A262-R264 PolarHBondContact O-N 3.07Å
265G61.4Low75.5Confident75 Ų7571.5 Ų71.577%0.77341%0.413SS*.THydrogen-bonded Turntrans160.2-21.8-178.300000114.3A263A263-G265 PolarHBondContact O-N 3.39Å
266T62.3Low75.7Confident101 Ų10172 Ų7262%0.6241%0.412SS*.SBendtrans-105.611.9-171.959.60000115.1A263 T268A263-T266 PolarHBondContact O-N 3.26Å; A263-T266 VanDerWaalsContact O-N 3.12Å; A263-T266 PolarHBondContact O-OG1 3.15Å; T266-T268 VanDerWaalsContact C-N 3.28Å; T266-T268 PolarHBondContact O-N 3.49Å; T266-T268 VanDerWaalsContact O-N 3.14Å
267G57.1Low75.9Confident57 Ų5769.5 Ų69.559%0.58840%0.399SS*.SBendtrans74.1-1.516800000117.1N269G267-N269 VanDerWaalsContact C-N 3.34Å; G267-N269 PolarHBondContact O-N 3.1Å
268T57.6Low75.7Confident102 Ų10274.4 Ų74.463%0.62643%0.425SS*.  trans-93.621.3-178.957.70000114.5T266 E270T266-T268 VanDerWaalsContact C-N 3.28Å; T266-T268 PolarHBondContact O-N 3.49Å; T266-T268 VanDerWaalsContact O-N 3.14Å; T268-E270 VanDerWaalsContact C-N 3.27Å; T268-E270 PolarHBondContact O-N 3.24Å
269N60.5Low75.7Confident47 Ų4771.7 Ų71.725%0.25141%0.414SS..G310 helixtrans-74.2-11.9-178.3-69.5-54.6000114.5L256 C260 G267 K271 C272L256-N269 HydrophobicContact CD2-CB 4.02Å; C260-N269 WeakPolarHBondContact CB-OD1 3.04Å; C260-N269 PolarHBondContact O-OD1 3.03Å; G267-N269 VanDerWaalsContact C-N 3.34Å; G267-N269 PolarHBondContact O-N 3.1Å; N269-K271 PolarHBondContact O-N 2.78Å; N269-C272 PolarHBondContact O-N 3.4Å
270E66Low75.6Confident175 Ų17571.2 Ų71.282%0.81841%0.414SS*.G310 helixtrans-62.7-15-170.2-62.2-177.6160.400115T268T268-E270 VanDerWaalsContact C-N 3.27Å; T268-E270 PolarHBondContact O-N 3.24Å
271K68.6Low75.7Confident148 Ų14873.2 Ų73.264%0.64342%0.423SS*.G310 helixtrans-107.63.3-176.2-66.6177.9-176.7172.70114.5N269 T273 L285N269-K271 PolarHBondContact O-N 2.78Å; K271-T273 PolarHBondContact O-N 3.46Å; K271-L285 WeakPolarHBondContact O-CD2 3.11Å
272C80.8Confident75.9Confident23 Ų2370.6 Ų70.616%0.15541%0.413CS..  trans-81.264.3178.8-153.70000111.7C257 C260 N269C257-C272 PolarHBondContact N-SG 2.82Å; C257-C272 VanDerWaalsContact N-SG 3.41Å; C257-C272 PolarHBondContact SG-SG 2.83Å; C260-C272 HydrophobicContact CB-CB 4.26Å; N269-C272 PolarHBondContact O-N 3.4Å
273T85.5Confident76.5Confident83 Ų8366.3 Ų66.351%0.50938%0.378SS..PPolyproline II helixtrans-93.8166.9175.457.70000111.5K271 L285K271-T273 PolarHBondContact O-N 3.46Å; T273-L285 WeakPolarHBondContact O-CB 3.46Å; T273-L285 PolarHBondContact O-N 3.19Å
274V86.7Confident77.2Confident48 Ų4865.1 Ų65.129%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-82.7124.2175.6-176.80000110I253 W276I253-V274 HydrophobicContact CD1-CG1 3.55Å; I253-V274 HydrophobicContact CG1-CB 4.34Å; I253-V274 HydrophobicContact CG1-CG1 3.61Å; I253-V274 HydrophobicContact CG1-CG2 3.72Å; I253-V274 WeakPolarHBondContact O-CG2 3.47Å; V274-W276 HydrophobicContact CG1-CZ2 4.25Å
275A86.8Confident78.3Confident9 Ų960.3 Ų60.37%0.07435%0.353CS..EExtended strand (participates in β ladder)trans-102.9130.3174.500000110.7G282 F283 L285 I288 F307A275-G282 WeakPolarHBondContact O-CA 3.29Å; A275-F283 PolarHBondContact N-O 3.34Å; A275-F283 PolarHBondContact O-N 3.07Å; A275-L285 HydrophobicContact CB-CB 4.45Å; A275-L285 HydrophobicContact CB-CD1 3.94Å; A275-I288 HydrophobicContact CB-CG2 4Å; A275-F307 HydrophobicContact CB-CD1 4.36Å; A275-F307 HydrophobicContact CB-CE1 4.03Å
276W87Confident79.6Confident76 Ų7658.9 Ų58.929%0.28833%0.326SS..EExtended strand (participates in β ladder)trans-104.4135179.4-67.691.2000111.2I241 V274 N280 K308I241-W276 HydrophobicContact CB-CH2 4.18Å; I241-W276 HydrophobicContact CD1-CH2 4Å; I241-W276 HydrophobicContact CD1-CZ2 4.03Å; I241-W276 HydrophobicContact CG1-CH2 3.71Å; I241-W276 HydrophobicContact CG1-CZ2 4.17Å; I241-W276 HydrophobicContact CG2-CH2 3.82Å; V274-W276 HydrophobicContact CG1-CZ2 4.25Å; W276-N280 WeakPolarHBondContact CZ3-O 3.47Å; W276-K308 HydrophobicContact CB-CB 4.27Å; W276-K308 WeakPolarHBondContact O-CB 3.49Å; W276-K308 PolarHBondContact O-N 2.69Å
277G86.6Confident81Confident0 Ų054.5 Ų54.50%030%0.299CS..BIsolated β-bridgetrans-86.9161.917000000112.4C279 N280 H281 W305 K306G277-C279 PolarHBondContact O-N 3.38Å; G277-N280 WeakPolarHBondContact O-CA 3.42Å; G277-N280 PolarHBondContact O-N 2.89Å; G277-H281 PolarHBondContact N-O 2.95Å; G277-W305 VanDerWaalsContact N-CH2 3.35Å; G277-K306 CarbonylContact C-O 3.57Å; G277-K306 WeakPolarHBondContact CA-O 3.27Å
278D83.7Confident82.6Confident102 Ų10251.8 Ų51.855%0.54527%0.271SS..THydrogen-bonded Turntrans-60.3-22.4169.3-74.5-22.5000112.4N280 K306 K308D278-N280 PolarHBondContact O-N 3.45Å; D278-K306 HydrophobicContact CB-CB 4.39Å; D278-K306 PolarHBondContact N-O 3.12Å; D278-K306 WeakPolarHBondContact OD2-CB 3.25Å; D278-K308 WeakPolarHBondContact OD1-CA 3.39Å
279C85.6Confident84.1Confident35 Ų3549.2 Ų49.224%0.23626%0.258CS..THydrogen-bonded Turntrans-72.60.3170.3570000114.3G277 H281 C298 D301G277-C279 PolarHBondContact O-N 3.38Å; C279-H281 PolarHBondContact O-N 3.44Å; C279-H281 PolarHBondContact SG-ND1 3.09Å; C279-H281 VanDerWaalsContact SG-ND1 3.44Å; C279-C298 VanDerWaalsContact SG-SG 3.67Å; C279-D301 WeakPolarHBondContact CB-OD2 3.42Å
280N83.3Confident85.5Confident73 Ų7354.8 Ų54.839%0.3928%0.275SS..SBendtrans62.421.3-176.7-156.264.4000114.6W276 G277 D278W276-N280 WeakPolarHBondContact CZ3-O 3.47Å; G277-N280 WeakPolarHBondContact O-CA 3.42Å; G277-N280 PolarHBondContact O-N 2.89Å; D278-N280 PolarHBondContact O-N 3.45Å
281H86.8Confident86.7Confident49 Ų4950.2 Ų50.223%0.22725%0.25CS..  trans-91.2137.5167.3-63.2125.6000110.5G277 C279 F283 L300G277-H281 PolarHBondContact N-O 2.95Å; C279-H281 PolarHBondContact O-N 3.44Å; C279-H281 PolarHBondContact SG-ND1 3.09Å; C279-H281 VanDerWaalsContact SG-ND1 3.44Å; H281-F283 HydrophobicContact CB-CE2 3.9Å; H281-F283 HydrophobicContact CB-CZ 4.05Å; H281-L300 HydrophobicContact CB-CD1 4.02Å; H281-L300 VanDerWaalsContact CD2-CD1 3.44Å; H281-L300 WeakPolarHBondContact CD2-CD1 3.27Å
282G87.9Confident87.7Confident9 Ų945.4 Ų45.49%0.09323%0.232CC..EExtended strand (participates in β ladder)trans-107.3136.8178.400000111.6A275A275-G282 WeakPolarHBondContact O-CA 3.29Å
283F90.3Very high88.1Confident1 Ų153.2 Ų53.20%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-140159.9173.9-55.7-73000109.8A247 V248 A275 H281 L285 I288 P299 L300 W305A247-F283 HydrophobicContact CB-CE1 3.77Å; V248-F283 HydrophobicContact CG2-CD1 4.29Å; A275-F283 PolarHBondContact N-O 3.34Å; A275-F283 PolarHBondContact O-N 3.07Å; H281-F283 HydrophobicContact CB-CE2 3.9Å; H281-F283 HydrophobicContact CB-CZ 4.05Å; F283-L285 PolarHBondContact O-N 3.33Å; F283-I288 HydrophobicContact CB-CB 4.2Å; F283-I288 HydrophobicContact CD2-CD1 4.13Å; F283-P299 HydrophobicContact CE1-CG 4.44Å; F283-P299 HydrophobicContact CE2-CG 4.41Å; F283-P299 HydrophobicContact CZ-CB 4.36Å; F283-P299 HydrophobicContact CZ-CG 4.08Å; F283-L300 HydrophobicContact CE1-CD1 4.02Å; F283-L300 HydrophobicContact CE1-CG 4.39Å; F283-L300 HydrophobicContact CZ-CD1 3.71Å; F283-L300 HydrophobicContact CZ-CG 4.02Å; F283-W305 AromaticContact CD2-CH2 3.52Å; F283-W305 HydrophobicContact CD2-CH2 3.52Å; F283-W305 HydrophobicContact CD2-CZ2 4.44Å; F283-W305 AromaticContact CD2-CZ3 3.72Å; F283-W305 HydrophobicContact CD2-CZ3 3.72Å; F283-W305 HydrophobicContact CE2-CE3 4.45Å; F283-W305 AromaticContact CE2-CH2 3.82Å; F283-W305 HydrophobicContact CE2-CH2 3.82Å; F283-W305 AromaticContact CE2-CZ3 3.51Å; F283-W305 HydrophobicContact CE2-CZ3 3.51Å
284H90.5Very high88.2Confident1 Ų155 Ų551%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-61.3140.8167.5-53.7115.8000110.5C249 H252 I253 E255 C257 H286 C287 I288C249-H284 PolarHBondContact SG-CE1 3.27Å; C249-H284 PolarHBondContact SG-ND1 3.5Å; H252-H284 PolarHBondContact O-CE1 3.2Å; H252-H284 PolarHBondContact O-NE2 3.34Å; I253-H284 PolarHBondContact O-NE2 2.97Å; E255-H284 PolarHBondContact O-CD2 3.23Å; E255-H284 PolarHBondContact O-NE2 2.99Å; C257-H284 HydrophobicContact CB-CB 3.88Å; H284-H286 VanDerWaalsContact C-N 3.26Å; H284-H286 PolarHBondContact O-N 3.16Å; H284-C287 HydrophobicContact CB-CB 4.11Å; H284-C287 WeakPolarHBondContact O-CB 3.45Å; H284-C287 PolarHBondContact O-N 3.47Å; H284-I288 PolarHBondContact O-N 2.96Å
285L89.9Confident88.2Confident52 Ų5259.9 Ų59.927%0.27229%0.287SS..Hα-helixtrans-55.1-42.2-179-17667.1000111.7K271 T273 A275 F283 I288 S289 F307K271-L285 WeakPolarHBondContact O-CD2 3.11Å; T273-L285 WeakPolarHBondContact O-CB 3.46Å; T273-L285 PolarHBondContact O-N 3.19Å; A275-L285 HydrophobicContact CB-CB 4.45Å; A275-L285 HydrophobicContact CB-CD1 3.94Å; F283-L285 PolarHBondContact O-N 3.33Å; L285-I288 WeakPolarHBondContact O-CG2 3.31Å; L285-S289 WeakPolarHBondContact O-CB 3.43Å; L285-S289 PolarHBondContact O-N 3.42Å; L285-S289 PolarHBondContact O-OG 3.28Å; L285-F307 HydrophobicContact CD1-CE1 4.26Å
286H89.1Confident88.3Confident45 Ų4564.2 Ų64.221%0.20831%0.309CS..Hα-helixtrans-66.2-41.4177.4-61.8158.1000112.5C260 H284 S289 R290C260-H286 PolarHBondContact SG-CE1 2.98Å; C260-H286 PolarHBondContact SG-ND1 3.49Å; H284-H286 VanDerWaalsContact C-N 3.26Å; H284-H286 PolarHBondContact O-N 3.16Å; H286-S289 PolarHBondContact O-N 3.45Å; H286-R290 WeakPolarHBondContact O-CB 3.42Å; H286-R290 PolarHBondContact O-N 3.38Å
287C90.7Very high88.6Confident9 Ų962.1 Ų62.16%0.06130%0.304CS..Hα-helixtrans-63.1-47.7179.4-680000111.8V248 C249 C257 H284 R290 W291V248-C287 HydrophobicContact CB-CB 3.89Å; V248-C287 HydrophobicContact CG1-CB 3.91Å; V248-C287 HydrophobicContact CG2-CB 4.42Å; C249-C287 VanDerWaalsContact SG-SG 3.7Å; C257-C287 VanDerWaalsContact CB-SG 3.54Å; H284-C287 HydrophobicContact CB-CB 4.11Å; H284-C287 WeakPolarHBondContact O-CB 3.45Å; H284-C287 PolarHBondContact O-N 3.47Å; C287-R290 PolarHBondContact O-N 3.17Å; C287-W291 WeakPolarHBondContact O-CB 3.23Å; C287-W291 PolarHBondContact O-N 3.25Å
288I90.7Very high88.8Confident0 Ų062.1 Ų62.10%030%0.304CS..Hα-helixtrans-71.3-38.7178.8-167.662.6000112A275 F283 H284 L285 R290 W291 L292 W305 F307A275-I288 HydrophobicContact CB-CG2 4Å; F283-I288 HydrophobicContact CB-CB 4.2Å; F283-I288 HydrophobicContact CD2-CD1 4.13Å; H284-I288 PolarHBondContact O-N 2.96Å; L285-I288 WeakPolarHBondContact O-CG2 3.31Å; I288-R290 VanDerWaalsContact C-N 3.26Å; I288-R290 PolarHBondContact O-N 3.17Å; I288-W291 HydrophobicContact CD1-CB 4.43Å; I288-W291 WeakPolarHBondContact O-CB 3.49Å; I288-W291 PolarHBondContact O-N 3.43Å; I288-W291 VanDerWaalsContact O-N 3.12Å; I288-L292 HydrophobicContact CD1-CG 4.39Å; I288-L292 HydrophobicContact CG1-CD1 4.1Å; I288-L292 HydrophobicContact CG1-CG 4.18Å; I288-L292 WeakPolarHBondContact O-CB 3.34Å; I288-L292 VanDerWaalsContact O-CG 3.23Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 3.36Å; I288-W305 HydrophobicContact CB-CZ2 4.49Å; I288-W305 HydrophobicContact CD1-CD2 3.77Å; I288-W305 HydrophobicContact CD1-CE3 3.95Å; I288-W305 HydrophobicContact CD1-CG 4.34Å; I288-W305 HydrophobicContact CD1-CH2 4.25Å; I288-W305 HydrophobicContact CD1-CZ2 4.08Å; I288-W305 HydrophobicContact CD1-CZ3 4.2Å; I288-W305 HydrophobicContact CG1-CD2 3.91Å; I288-W305 VanDerWaalsContact CG1-CE2 3.44Å; I288-W305 HydrophobicContact CG1-CE3 4.44Å; I288-W305 HydrophobicContact CG1-CG 4.45Å; I288-W305 HydrophobicContact CG1-CH2 4.17Å; I288-W305 HydrophobicContact CG1-CZ2 3.58Å; I288-F307 HydrophobicContact CG2-CE1 4.23Å; I288-F307 HydrophobicContact CG2-CZ 4.48Å
289S89.2Confident88.9Confident48 Ų4858.9 Ų58.934%0.33629%0.289SS..Hα-helixtrans-61.4-37.1177-59.70000111.7L285 H286L285-S289 WeakPolarHBondContact O-CB 3.43Å; L285-S289 PolarHBondContact O-N 3.42Å; L285-S289 PolarHBondContact O-OG 3.28Å; H286-S289 PolarHBondContact O-N 3.45Å
290R89Confident88.9Confident164 Ų16461 Ų6162%0.61930%0.297SS*.Hα-helixtrans-68.8-41.7174.2-174.4173.1-177.3132.44111.8E259 H286 C287 I288 K293E259-R290 VanDerWaalsContact OE1-CD 3.25Å; E259-R290 WeakPolarHBondContact OE1-CD 3.26Å; E259-R290 IonicContact OE1-CZ 3.96Å; E259-R290 IonicContact OE1-NE 2.81Å; E259-R290 IonicContact OE1-NH1 2.68Å; E259-R290 PolarHBondContact OE1-NH1 3.13Å; H286-R290 WeakPolarHBondContact O-CB 3.42Å; H286-R290 PolarHBondContact O-N 3.38Å; C287-R290 PolarHBondContact O-N 3.17Å; I288-R290 VanDerWaalsContact C-N 3.26Å; I288-R290 PolarHBondContact O-N 3.17Å; R290-K293 PolarHBondContact O-N 3.18Å
291W90.9Very high89.1Confident79 Ų7959.7 Ų59.730%0.29929%0.29SS..Hα-helixtrans-63-43.1177.9-176.4-92.5000112.6C287 I288 K293 T294 R295 V297 P299C287-W291 WeakPolarHBondContact O-CB 3.23Å; C287-W291 PolarHBondContact O-N 3.25Å; I288-W291 HydrophobicContact CD1-CB 4.43Å; I288-W291 WeakPolarHBondContact O-CB 3.49Å; I288-W291 PolarHBondContact O-N 3.43Å; I288-W291 VanDerWaalsContact O-N 3.12Å; W291-K293 PolarHBondContact O-N 2.71Å; W291-T294 PolarHBondContact O-N 3.02Å; W291-R295 PolarHBondContact O-N 3.37Å; W291-V297 VanDerWaalsContact CD1-O 3.29Å; W291-V297 PolarHBondContact NE1-O 3.05Å; W291-P299 HydrophobicContact CD2-CG 4Å; W291-P299 HydrophobicContact CG-CG 4.14Å; W291-P299 HydrophobicContact CZ2-CB 4.22Å; W291-P299 HydrophobicContact CZ2-CG 4.24Å
292L89.7Confident89.1Confident48 Ų4863 Ų6325%0.25131%0.31SS..Hα-helixtrans-62.1-22.9-179.8-69.6172.4000114.3I288 T294 R295 W305 F307I288-L292 HydrophobicContact CD1-CG 4.39Å; I288-L292 HydrophobicContact CG1-CD1 4.1Å; I288-L292 HydrophobicContact CG1-CG 4.18Å; I288-L292 WeakPolarHBondContact O-CB 3.34Å; I288-L292 VanDerWaalsContact O-CG 3.23Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 3.36Å; L292-T294 PolarHBondContact O-N 3.13Å; L292-R295 WeakPolarHBondContact CA-O 3.3Å; L292-W305 HydrophobicContact CD1-CG 4.33Å; L292-W305 HydrophobicContact CD2-CB 3.56Å; L292-W305 HydrophobicContact CD2-CG 3.65Å; L292-W305 HydrophobicContact CG-CG 4.46Å; L292-F307 HydrophobicContact CD1-CE2 3.91Å; L292-F307 HydrophobicContact CD1-CZ 3.85Å
293K89.2Confident89Confident187 Ų18770.8 Ų70.881%0.81334%0.337SS*.THydrogen-bonded Turntrans-66.8-28.2172.8-68.1177.8-179.2-178.30112.4R290 W291R290-K293 PolarHBondContact O-N 3.18Å; W291-K293 PolarHBondContact O-N 2.71Å
294T88Confident88.8Confident119 Ų11976.5 Ų76.573%0.7336%0.363SS*.THydrogen-bonded Turntrans-100.8-40.4-177.1-460000111.6W291 L292W291-T294 PolarHBondContact O-N 3.02Å; L292-T294 PolarHBondContact O-N 3.13Å
295R87.7Confident88.8Confident152 Ų15277.3 Ų77.357%0.57437%0.366SS*.  trans-145.4131.6-179.4-61.9-175.6-178.5173.40.6110.4W291 L292 V297W291-R295 PolarHBondContact O-N 3.37Å; L292-R295 WeakPolarHBondContact CA-O 3.3Å; R295-V297 HydrophobicContact CB-CG2 4.16Å; R295-V297 PolarHBondContact O-N 3.18Å
296N89.1Confident88.6Confident99 Ų9980.1 Ų80.153%0.52938%0.376SS..SBendtrans-81.419.5178.267-31.4000114W305N296-W305 PolarHBondContact O-N 2.96Å
297V92.6Very high88.4Confident32 Ų3282.5 Ų82.519%0.19439%0.386CS..BIsolated β-bridgetrans-114.5149.5-178.4-61.30000111.7W291 R295 R303W291-V297 VanDerWaalsContact CD1-O 3.29Å; W291-V297 PolarHBondContact NE1-O 3.05Å; R295-V297 HydrophobicContact CB-CG2 4.16Å; R295-V297 PolarHBondContact O-N 3.18Å; V297-R303 CarbonylContact C-O 3.49Å; V297-R303 VanDerWaalsContact CA-O 3.24Å; V297-R303 WeakPolarHBondContact CA-O 3.39Å; V297-R303 WeakPolarHBondContact CB-O 3.43Å
298C90.3Very high88Confident1 Ų187.4 Ų87.41%0.00741%0.406CS..  trans-62.4132.9172.8173.30000110.9C279 L300 D301 N302 R303 W305C279-C298 VanDerWaalsContact SG-SG 3.67Å; C298-L300 PolarHBondContact O-N 3.29Å; C298-D301 WeakPolarHBondContact CB-OD1 3.32Å; C298-D301 PolarHBondContact SG-OD1 2.74Å; C298-N302 WeakPolarHBondContact O-CA 3.46Å; C298-N302 PolarHBondContact O-N 3.06Å; C298-N302 VanDerWaalsContact O-N 3.08Å; C298-R303 PolarHBondContact N-O 2.74Å; C298-W305 HydrophobicContact CB-CE3 3.8Å; C298-W305 HydrophobicContact CB-CZ3 4.33Å
299P86.8Confident86.8Confident34 Ų3496.6 Ų96.622%0.22145%0.446CS..THydrogen-bonded Turntrans-61.4-22.6179.8-23.330.9000115.9V248 F283 W291V248-P299 HydrophobicContact CG2-CG 3.92Å; F283-P299 HydrophobicContact CE1-CG 4.44Å; F283-P299 HydrophobicContact CE2-CG 4.41Å; F283-P299 HydrophobicContact CZ-CB 4.36Å; F283-P299 HydrophobicContact CZ-CG 4.08Å; W291-P299 HydrophobicContact CD2-CG 4Å; W291-P299 HydrophobicContact CG-CG 4.14Å; W291-P299 HydrophobicContact CZ2-CB 4.22Å; W291-P299 HydrophobicContact CZ2-CG 4.24Å
300L85.8Confident85.1Confident79 Ų7997.4 Ų97.441%0.41446%0.462SS..THydrogen-bonded Turntrans-97.9-40.9-172.7-74.3168.6000113.7V243 A247 H281 F283 C298V243-L300 HydrophobicContact CG2-CD1 4.28Å; A247-L300 HydrophobicContact CB-CD2 4.04Å; A247-L300 HydrophobicContact CB-CG 4.23Å; H281-L300 HydrophobicContact CB-CD1 4.02Å; H281-L300 VanDerWaalsContact CD2-CD1 3.44Å; H281-L300 WeakPolarHBondContact CD2-CD1 3.27Å; F283-L300 HydrophobicContact CE1-CD1 4.02Å; F283-L300 HydrophobicContact CE1-CG 4.39Å; F283-L300 HydrophobicContact CZ-CD1 3.71Å; F283-L300 HydrophobicContact CZ-CG 4.02Å; C298-L300 PolarHBondContact O-N 3.29Å
301D87.3Confident82.8Confident45 Ų4596.2 Ų96.224%0.24147%0.473CS..THydrogen-bonded Turntrans-115.51.6-174.768.3-1.6000113.9C279 C298 R303C279-D301 WeakPolarHBondContact CB-OD2 3.42Å; C298-D301 WeakPolarHBondContact CB-OD1 3.32Å; C298-D301 PolarHBondContact SG-OD1 2.74Å; D301-R303 HydrophobicContact CB-CG 4.27Å; D301-R303 PolarHBondContact O-N 2.9Å; D301-R303 PolarHBondContact OD1-N 3.13Å; D301-R303 VanDerWaalsContact OD1-N 3.09Å; D301-R303 WeakPolarHBondContact OD2-CD 3.4Å; D301-R303 IonicContact OD2-NE 3.54Å
302N85.9Confident80Confident120 Ų120105.3 Ų105.364%0.64252%0.515SS*.  trans53.516.5-176.1-72.9-31.2000114.8C298C298-N302 WeakPolarHBondContact O-CA 3.46Å; C298-N302 PolarHBondContact O-N 3.06Å; C298-N302 VanDerWaalsContact O-N 3.08Å
303R86.9Confident79.5Confident172 Ų172108.2 Ų108.265%0.64953%0.528SS*.PPolyproline II helixtrans-80.4153.9174.8-61.9-177-169.5-175.42.4110.1V297 C298 D301 W305V297-R303 CarbonylContact C-O 3.49Å; V297-R303 VanDerWaalsContact CA-O 3.24Å; V297-R303 WeakPolarHBondContact CA-O 3.39Å; V297-R303 WeakPolarHBondContact CB-O 3.43Å; C298-R303 PolarHBondContact N-O 2.74Å; D301-R303 HydrophobicContact CB-CG 4.27Å; D301-R303 PolarHBondContact O-N 2.9Å; D301-R303 PolarHBondContact OD1-N 3.13Å; D301-R303 VanDerWaalsContact OD1-N 3.09Å; D301-R303 WeakPolarHBondContact OD2-CD 3.4Å; D301-R303 IonicContact OD2-NE 3.54Å; R303-W305 PolarHBondContact O-N 3.12Å
304E86.6Confident79Confident120 Ų120104.1 Ų104.156%0.56151%0.513SS*.BIsolated β-bridgetrans-54.1126.2173.8-172.9-176.1-152.400110K306E304-K306 PolarHBondContact O-N 3.03Å; E304-K306 WeakPolarHBondContact OE2-CE 3Å; E304-K306 IonicContact OE2-NZ 3.51Å
305W88.6Confident78.5Confident19 Ų19103.2 Ų103.27%0.07250%0.501CS..PPolyproline II helixtrans-74.6116.7-176.9-179.8-93.6000110.5G277 F283 I288 L292 N296 C298 R303 F307G277-W305 VanDerWaalsContact N-CH2 3.35Å; F283-W305 AromaticContact CD2-CH2 3.52Å; F283-W305 HydrophobicContact CD2-CH2 3.52Å; F283-W305 HydrophobicContact CD2-CZ2 4.44Å; F283-W305 AromaticContact CD2-CZ3 3.72Å; F283-W305 HydrophobicContact CD2-CZ3 3.72Å; F283-W305 HydrophobicContact CE2-CE3 4.45Å; F283-W305 AromaticContact CE2-CH2 3.82Å; F283-W305 HydrophobicContact CE2-CH2 3.82Å; F283-W305 AromaticContact CE2-CZ3 3.51Å; F283-W305 HydrophobicContact CE2-CZ3 3.51Å; I288-W305 HydrophobicContact CB-CZ2 4.49Å; I288-W305 HydrophobicContact CD1-CD2 3.77Å; I288-W305 HydrophobicContact CD1-CE3 3.95Å; I288-W305 HydrophobicContact CD1-CG 4.34Å; I288-W305 HydrophobicContact CD1-CH2 4.25Å; I288-W305 HydrophobicContact CD1-CZ2 4.08Å; I288-W305 HydrophobicContact CD1-CZ3 4.2Å; I288-W305 HydrophobicContact CG1-CD2 3.91Å; I288-W305 VanDerWaalsContact CG1-CE2 3.44Å; I288-W305 HydrophobicContact CG1-CE3 4.44Å; I288-W305 HydrophobicContact CG1-CG 4.45Å; I288-W305 HydrophobicContact CG1-CH2 4.17Å; I288-W305 HydrophobicContact CG1-CZ2 3.58Å; L292-W305 HydrophobicContact CD1-CG 4.33Å; L292-W305 HydrophobicContact CD2-CB 3.56Å; L292-W305 HydrophobicContact CD2-CG 3.65Å; L292-W305 HydrophobicContact CG-CG 4.46Å; N296-W305 PolarHBondContact O-N 2.96Å; C298-W305 HydrophobicContact CB-CE3 3.8Å; C298-W305 HydrophobicContact CB-CZ3 4.33Å; R303-W305 PolarHBondContact O-N 3.12Å; W305-F307 HydrophobicContact CZ2-CD1 4.45Å; W305-F307 HydrophobicContact CZ2-CE1 4.45Å; W305-F307 AromaticContact NE1-CD1 3.77Å; W305-F307 AromaticContact NE1-CD2 3.87Å; W305-F307 AromaticContact NE1-CE1 3.63Å; W305-F307 AromaticContact NE1-CE2 3.73Å; W305-F307 AromaticContact NE1-CG 3.89Å; W305-F307 AromaticContact NE1-CZ 3.61Å
306K86.5Confident78Confident111 Ų111100.4 Ų100.448%0.48350%0.497SS..  trans-120.5124.6170-67.8179.5-176.6172.90108.4G277 D278 E304 K308G277-K306 CarbonylContact C-O 3.57Å; G277-K306 WeakPolarHBondContact CA-O 3.27Å; D278-K306 HydrophobicContact CB-CB 4.39Å; D278-K306 PolarHBondContact N-O 3.12Å; D278-K306 WeakPolarHBondContact OD2-CB 3.25Å; E304-K306 PolarHBondContact O-N 3.03Å; E304-K306 WeakPolarHBondContact OE2-CE 3Å; E304-K306 IonicContact OE2-NZ 3.51Å; K306-K308 PolarHBondContact O-N 2.96Å
307F85.6Confident77.3Confident95 Ų95100.4 Ų100.442%0.41750%0.495SS..BIsolated β-bridgetrans-61.4126.4171.7-72-81000108.3A275 L285 I288 L292 W305 K309A275-F307 HydrophobicContact CB-CD1 4.36Å; A275-F307 HydrophobicContact CB-CE1 4.03Å; L285-F307 HydrophobicContact CD1-CE1 4.26Å; I288-F307 HydrophobicContact CG2-CE1 4.23Å; I288-F307 HydrophobicContact CG2-CZ 4.48Å; L292-F307 HydrophobicContact CD1-CE2 3.91Å; L292-F307 HydrophobicContact CD1-CZ 3.85Å; W305-F307 HydrophobicContact CZ2-CD1 4.45Å; W305-F307 HydrophobicContact CZ2-CE1 4.45Å; W305-F307 AromaticContact NE1-CD1 3.77Å; W305-F307 AromaticContact NE1-CD2 3.87Å; W305-F307 AromaticContact NE1-CE1 3.63Å; W305-F307 AromaticContact NE1-CE2 3.73Å; W305-F307 AromaticContact NE1-CG 3.89Å; W305-F307 AromaticContact NE1-CZ 3.61Å; F307-K309 VanDerWaalsContact C-N 3.3Å; F307-K309 PolarHBondContact O-N 3.48Å
308K81.5Confident76.2Confident111 Ų111105 Ų10548%0.48352%0.515SS..  trans-64.899.9165.8-168.4174.6-173.2176.50106W276 D278 K306 G310W276-K308 HydrophobicContact CB-CB 4.27Å; W276-K308 WeakPolarHBondContact O-CB 3.49Å; W276-K308 PolarHBondContact O-N 2.69Å; D278-K308 WeakPolarHBondContact OD1-CA 3.39Å; K306-K308 PolarHBondContact O-N 2.96Å; K308-G310 PolarHBondContact O-N 3.08Å
309K65.2Low75.2Confident193 Ų193112.4 Ų112.484%0.83955%0.551SS**  trans-53.3117.6177.2-74.5-178.5179.5177.10106.7F307 V311F307-K309 VanDerWaalsContact C-N 3.3Å; F307-K309 PolarHBondContact O-N 3.48Å; K309-V311 PolarHBondContact O-N 3.39Å
310G53.9Low74.4Confident65 Ų65118.5 Ų118.567%0.6758%0.576SS**  trans-50.1126.2177.900000108.5K308 K312K308-G310 PolarHBondContact O-N 3.08Å; G310-K312 PolarHBondContact O-N 3.42Å
311V40Very low73.4Confident140 Ų140121.8 Ų121.885%0.84859%0.59SS**  trans-53.1112.8156.1177.90000104.3K309K309-V311 PolarHBondContact O-N 3.39Å
312K32.9Very low72.1Confident270 Ų270128.7 Ų128.7100%1.17462%0.622SS**  trans-570173-75.8-176175-176.90109.7G310G310-K312 PolarHBondContact O-N 3.42Å

Retrieved 312 of 312 residues in 121.9 ms (Link to these results)