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Auxin response factor

Auxin response factors (ARFs) are transcriptional factors that bind specifically to the DNA sequence 5'-TGTCTC-3' found in the auxin-responsive promoter elements (AuxREs).

AlphaFold DB (D9HNV4), UniProt , Accession A0A060D164, Species MAIZE (Zea mays, Maize), Gene ARF27, Length 1,053 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
1M38.5Very low40.2Very low241 Ų241134.2 Ų134.2100%1.18783%0.831SS**  0145.10-82.1172.1155.100107.5
2K34.3Very low39.8Very low191 Ų191132 Ų13283%0.8383%0.825SS**  trans71.9116.6-170-70.9-165.7173.2-1690116.7
3D38.6Very low39.8Very low116 Ų116131 Ų13162%0.6282%0.821SS**  91.4138.8122.8-78.1-58.1000124.8
4H41.8Very low39.6Very low183 Ų183128.2 Ų128.285%0.84782%0.816SS**  trans74.6141.7158.2-52-27.1000120.6
5G40.7Very low39.1Very low79 Ų79133.3 Ų133.381%0.81483%0.826SS**  trans146.845.6173.100000117.3G7G5-G7 PolarHBondContact O-N 3.43Å
6S37.8Very low39Very low133 Ų133129.4 Ų129.493%0.9382%0.82SS**  trans-81.2114.8172.2-169.60000110.7
7G41.4Very low39.1Very low67 Ų67133.2 Ų133.269%0.69183%0.825SS**PPolyproline II helixtrans-97.2122.5178.700000112.2G5G5-G7 PolarHBondContact O-N 3.43Å
8G37.7Very low40.3Very low79 Ų79137.1 Ų137.181%0.81483%0.828SS**PPolyproline II helixtrans-75.1138.6174.500000112.3
9V42.3Very low42.1Very low142 Ų142138 Ų13886%0.86182%0.82SS**PPolyproline II helixtrans-87.2116.9176.71780000109.7
10T47.5Very low44.3Very low123 Ų123137.4 Ų137.476%0.75582%0.82SS**PPolyproline II helixtrans-77.7138.2165.947.70000110.4
11P41.6Very low46.6Very low122 Ų122132.6 Ų132.679%0.79279%0.79SS**PPolyproline II helixtrans-68.4142.4179.929.2-34.8000111.8
12S35.6Very low49.2Very low108 Ų108123.2 Ų123.276%0.75575%0.745SS**PPolyproline II helixtrans-68.3143.9167.3-177.30000110
13P39.6Very low52Low119 Ų119116 Ų11677%0.77372%0.718SS**PPolyproline II helixtrans-59.5144.7163.628-34.7000109.9
14A37.2Very low54.6Low92 Ų92112 Ų11276%0.7670%0.696SS**PPolyproline II helixtrans-78.5161.1177.900000111.7
15E32.1Very low57.2Low205 Ų205103.3 Ų103.396%0.95866%0.656SS**THydrogen-bonded Turntrans-69130.6-176.4-59.2174.912000112.1
16G37.5Very low59.8Low71 Ų7199.6 Ų99.673%0.73262%0.617SS**THydrogen-bonded Turntrans112.12.2155.200000118.9K18G16-K18 PolarHBondContact O-N 3.21Å
17E39.9Very low62.5Low194 Ų19493.6 Ų93.691%0.90757%0.574SS**  trans-65.993.5172.4-72.5-162.4152.400111.6K19E17-K19 PolarHBondContact O-N 3.13Å
18K60.5Low65Low202 Ų20290.4 Ų90.488%0.87854%0.542SS*.PPolyproline II helixtrans-63.4120.2169.1-68.5-174.6178.7-1760108.8G16G16-K18 PolarHBondContact O-N 3.21Å
19K76.2Confident67.7Low155 Ų15586.7 Ų86.767%0.67450%0.503SS*.PPolyproline II helixtrans-52.7142.9173.2-68.3170.1175.6168.60110.8E17 I21 D174E17-K19 PolarHBondContact O-N 3.13Å; K19-I21 PolarHBondContact O-N 3.49Å; K19-D174 WeakPolarHBondContact CD-OD2 3.47Å; K19-D174 WeakPolarHBondContact CE-OD2 3.49Å; K19-D174 IonicContact NZ-OD2 3.6Å; K19-D174 PolarHBondContact NZ-OD2 2.92Å
20P86.1Confident70.1Confident126 Ų12680 Ų8082%0.81846%0.462SS*.PPolyproline II helixtrans-64.5133.3171.927.9-33.9000110.3
21I92.5Very high72.2Confident37 Ų3774.2 Ų74.219%0.1943%0.427CS..PPolyproline II helixtrans-60141.9174.4-165.5158.9000110.6K19 S23 L84 A86 L172K19-I21 PolarHBondContact O-N 3.49Å; I21-S23 PolarHBondContact O-N 3.48Å; I21-L84 HydrophobicContact CG2-CB 3.44Å; I21-L84 VanDerWaalsContact CG2-CB 3.44Å; I21-L84 WeakPolarHBondContact CG2-O 3.39Å; I21-A86 HydrophobicContact CD1-CB 3.78Å; I21-L172 HydrophobicContact CD1-CB 4.13Å; I21-L172 HydrophobicContact CD1-CD2 3.85Å; I21-L172 HydrophobicContact CG1-CD2 3.94Å; I21-L172 WeakPolarHBondContact CG1-O 3.46Å
22N93.1Very high74.5Confident44 Ų4469.7 Ų69.724%0.23540%0.398CS..PPolyproline II helixtrans-62.8123.6179.4178.4-66.1000109.8E24 L25 W26 D216 L222N22-E24 PolarHBondContact OD1-N 3.49Å; N22-L25 HydrophobicContact CB-CB 4.11Å; N22-L25 PolarHBondContact OD1-N 3.37Å; N22-W26 WeakPolarHBondContact O-CB 3.11Å; N22-W26 PolarHBondContact O-N 3.37Å; N22-D216 PolarHBondContact ND2-OD2 3.48Å; N22-L222 HydrophobicContact CB-CD1 4.11Å; N22-L222 WeakPolarHBondContact ND2-CD1 3.22Å
23S92.4Very high77Confident40 Ų4067.8 Ų67.828%0.2838%0.379SS..Hα-helixtrans-73-36.8-171.2-158.80000112.7I21 W26 H27 L84I21-S23 PolarHBondContact O-N 3.48Å; S23-W26 PolarHBondContact O-N 3.21Å; S23-H27 PolarHBondContact O-N 3.5Å; S23-H27 PolarHBondContact O-ND1 3.08Å; S23-L84 WeakPolarHBondContact OG-CD1 3.39Å
24E93.4Very high79.5Confident31 Ų3162.8 Ų62.815%0.14535%0.346CS..Hα-helixtrans-66-46.3177.6-61.5172.9-102.600110.8N22 W26 H27 A28 P123 I214 D216 E217N22-E24 PolarHBondContact OD1-N 3.49Å; E24-W26 VanDerWaalsContact C-N 3.3Å; E24-W26 PolarHBondContact O-N 3.44Å; E24-H27 PolarHBondContact O-N 3.45Å; E24-A28 WeakPolarHBondContact O-CB 3.22Å; E24-A28 PolarHBondContact O-N 3.06Å; E24-P123 HydrophobicContact CB-CB 4.38Å; E24-I214 HydrophobicContact CB-CD1 3.83Å; E24-D216 WeakPolarHBondContact OE1-CA 3.47Å; E24-D216 VanDerWaalsContact OE1-CB 3.3Å; E24-D216 WeakPolarHBondContact OE1-CB 3.41Å; E24-E217 PolarHBondContact OE1-N 3.1Å
25L95.2Very high82Confident1 Ų161 Ų611%0.00533%0.328CS..Hα-helixtrans-61.7-38.8175.9-173.966.8000111.4N22 A28 C29 L172 I214 L222N22-L25 HydrophobicContact CB-CB 4.11Å; N22-L25 PolarHBondContact OD1-N 3.37Å; L25-A28 PolarHBondContact O-N 3.47Å; L25-C29 WeakPolarHBondContact O-CB 3.31Å; L25-C29 PolarHBondContact O-N 3.31Å; L25-C29 PolarHBondContact O-SG 2.78Å; L25-C29 VanDerWaalsContact O-SG 3.39Å; L25-L172 HydrophobicContact CB-CD2 4.27Å; L25-L172 HydrophobicContact CD2-CD2 3.77Å; L25-L172 HydrophobicContact CD2-CG 3.87Å; L25-L172 HydrophobicContact CG-CD2 3.74Å; L25-L172 HydrophobicContact CG-CG 4.14Å; L25-I214 HydrophobicContact CB-CD1 4.03Å; L25-I214 HydrophobicContact CD1-CD1 4.26Å; L25-I214 HydrophobicContact CD1-CG1 4.15Å; L25-I214 HydrophobicContact CD1-CG2 4.39Å; L25-L222 HydrophobicContact CB-CD1 4.18Å; L25-L222 HydrophobicContact CD1-CB 4.01Å; L25-L222 HydrophobicContact CD2-CB 4.15Å
26W95.9Very high84.9Confident0 Ų052.5 Ų52.50%029%0.289CS..Hα-helixtrans-62.6-45.4175.1-170.797.1000111.8N22 S23 E24 C29 A30 V34 L36 L84 H85 V93 Y94 A95 L172 P269N22-W26 WeakPolarHBondContact O-CB 3.11Å; N22-W26 PolarHBondContact O-N 3.37Å; S23-W26 PolarHBondContact O-N 3.21Å; E24-W26 VanDerWaalsContact C-N 3.3Å; E24-W26 PolarHBondContact O-N 3.44Å; W26-C29 PolarHBondContact O-N 3.36Å; W26-A30 HydrophobicContact CE3-CB 4.08Å; W26-A30 HydrophobicContact CH2-CB 3.96Å; W26-A30 HydrophobicContact CZ3-CB 3.66Å; W26-A30 WeakPolarHBondContact O-CB 3.43Å; W26-A30 PolarHBondContact O-N 3.45Å; W26-V34 HydrophobicContact CZ3-CG1 4.31Å; W26-L36 HydrophobicContact CE3-CD1 4.32Å; W26-L36 HydrophobicContact CH2-CD1 3.87Å; W26-L36 HydrophobicContact CH2-CD2 4.47Å; W26-L36 HydrophobicContact CZ3-CD1 3.59Å; W26-L36 HydrophobicContact CZ3-CG 4.2Å; W26-L84 HydrophobicContact CB-CD1 4.15Å; W26-L84 HydrophobicContact CD2-CB 4.33Å; W26-L84 HydrophobicContact CD2-CD1 4.09Å; W26-L84 HydrophobicContact CD2-CD2 3.81Å; W26-L84 HydrophobicContact CD2-CG 4.29Å; W26-L84 HydrophobicContact CE3-CD1 4.32Å; W26-L84 HydrophobicContact CE3-CD2 3.96Å; W26-L84 HydrophobicContact CG-CB 4.09Å; W26-L84 HydrophobicContact CG-CD1 3.99Å; W26-L84 HydrophobicContact CG-CD2 4.41Å; W26-L84 HydrophobicContact CG-CG 4.38Å; W26-L84 HydrophobicContact CH2-CD2 4.31Å; W26-L84 HydrophobicContact CZ2-CD2 4.13Å; W26-L84 HydrophobicContact CZ3-CD2 4.21Å; W26-H85 PolarHBondContact NE1-O 3.47Å; W26-V93 HydrophobicContact CG-CG1 4.28Å; W26-V93 HydrophobicContact CZ2-CB 4.16Å; W26-Y94 PolarHBondContact NE1-O 3.38Å; W26-A95 HydrophobicContact CH2-CB 4.16Å; W26-A95 HydrophobicContact CZ2-CB 4.01Å; W26-L172 HydrophobicContact CB-CD2 4.43Å; W26-P269 HydrophobicContact CH2-CG 4.18Å
27H93.9Very high87.5Confident7 Ų749.3 Ų49.33%0.03226%0.256CS..Hα-helixtrans-66.7-38.3177-72.584.7000111.9S23 E24 C29 A30 G31 Q122S23-H27 PolarHBondContact O-N 3.5Å; S23-H27 PolarHBondContact O-ND1 3.08Å; E24-H27 PolarHBondContact O-N 3.45Å; H27-C29 VanDerWaalsContact C-N 3.34Å; H27-C29 PolarHBondContact O-N 3.14Å; H27-A30 PolarHBondContact O-N 3.42Å; H27-G31 PolarHBondContact O-N 3.28Å; H27-Q122 PolarHBondContact O-NE2 2.94Å; H27-Q122 PolarHBondContact O-OE1 3.16Å
28A93.8Very high90Very high1 Ų141.5 Ų41.51%0.00822%0.221CC..Hα-helixtrans-62.4-37.5173.500000112.5E24 L25 P123 L212 I214 R226E24-A28 WeakPolarHBondContact O-CB 3.22Å; E24-A28 PolarHBondContact O-N 3.06Å; L25-A28 PolarHBondContact O-N 3.47Å; A28-P123 HydrophobicContact CB-CG 3.98Å; A28-L212 HydrophobicContact CB-CD2 4.4Å; A28-L212 WeakPolarHBondContact O-CD2 3.27Å; A28-I214 HydrophobicContact CB-CG2 3.96Å; A28-R226 VanDerWaalsContact O-CZ 3.28Å; A28-R226 PolarHBondContact O-NE 2.64Å; A28-R226 PolarHBondContact O-NH2 3.14Å
29C94.9Very high91.7Very high1 Ų135.9 Ų35.91%0.00720%0.204CC..Hα-helixtrans-74.6-33.4172.8-70.60000112.7L25 W26 H27 V93 L172 G224 R226L25-C29 WeakPolarHBondContact O-CB 3.31Å; L25-C29 PolarHBondContact O-N 3.31Å; L25-C29 PolarHBondContact O-SG 2.78Å; L25-C29 VanDerWaalsContact O-SG 3.39Å; W26-C29 PolarHBondContact O-N 3.36Å; H27-C29 VanDerWaalsContact C-N 3.34Å; H27-C29 PolarHBondContact O-N 3.14Å; C29-V93 HydrophobicContact CB-CG1 3.76Å; C29-V93 HydrophobicContact CB-CG2 4.08Å; C29-L172 HydrophobicContact CB-CD1 4.19Å; C29-G224 WeakPolarHBondContact SG-CA 3.43Å; C29-R226 VanDerWaalsContact O-CG 3.31Å; C29-R226 WeakPolarHBondContact O-CG 3.33Å; C29-R226 PolarHBondContact O-NE 2.98Å
30A93.4Very high92.5Very high1 Ų129.6 Ų29.61%0.00818%0.183CC..Hα-helixtrans-65.4-42.9179.300000112.7W26 H27 V34 V93 P269 R270W26-A30 HydrophobicContact CE3-CB 4.08Å; W26-A30 HydrophobicContact CH2-CB 3.96Å; W26-A30 HydrophobicContact CZ3-CB 3.66Å; W26-A30 WeakPolarHBondContact O-CB 3.43Å; W26-A30 PolarHBondContact O-N 3.45Å; H27-A30 PolarHBondContact O-N 3.42Å; A30-V34 HydrophobicContact CB-CB 4.03Å; A30-V34 HydrophobicContact CB-CG1 4.08Å; A30-V34 HydrophobicContact CB-CG2 3.96Å; A30-V93 HydrophobicContact CB-CG2 4.23Å; A30-P269 HydrophobicContact CB-CB 4.34Å; A30-P269 HydrophobicContact CB-CG 3.66Å; A30-R270 WeakPolarHBondContact O-CD 3.29Å; A30-R270 PolarHBondContact O-NH1 2.82Å; A30-R270 VanDerWaalsContact O-NH1 3.1Å
31G90.8Very high93Very high1 Ų123.6 Ų23.61%0.0115%0.145CC..  trans129.9150.2-179.300000111.8H27 L33 V34 Q122H27-G31 PolarHBondContact O-N 3.28Å; G31-L33 PolarHBondContact O-N 2.75Å; G31-L33 VanDerWaalsContact O-N 3.09Å; G31-V34 WeakPolarHBondContact O-CB 3.39Å; G31-V34 PolarHBondContact O-N 3.42Å; G31-Q122 PolarHBondContact O-NE2 3.43Å
32P89.4Confident93.2Very high28 Ų2821.9 Ų21.918%0.18214%0.136CC..THydrogen-bonded Turntrans-66.9-15.3-170.731.1-39.6000114.2E302 S306 V308P32-E302 HydrophobicContact CG-CB 4.49Å; P32-E302 HydrophobicContact CG-CG 4.2Å; P32-S306 WeakPolarHBondContact CG-O 3.4Å; P32-V308 HydrophobicContact CB-CG2 3.6Å; P32-V308 HydrophobicContact CG-CG2 3.52Å
33L88.5Confident93.4Very high68 Ų6819.8 Ų19.836%0.35613%0.125SC..THydrogen-bonded Turntrans-88-10.8177.1-59.3-176.5000113.7G31 S35 L300 V308G31-L33 PolarHBondContact O-N 2.75Å; G31-L33 VanDerWaalsContact O-N 3.09Å; L33-S35 PolarHBondContact O-N 3.33Å; L33-L300 HydrophobicContact CD2-CB 3.66Å; L33-L300 HydrophobicContact CD2-CD1 4.47Å; L33-V308 HydrophobicContact CD2-CB 4.42Å; L33-V308 HydrophobicContact CD2-CG1 3.7Å; L33-V308 HydrophobicContact CD2-CG2 3.76Å; L33-V308 HydrophobicContact CG-CG2 4.45Å
34V91.8Very high93.6Very high14 Ų1418 Ų189%0.08511%0.111CC..  trans-81120.1-171.9-177.60000110.3W26 A30 G31 L36 Q122 Y267 P269W26-V34 HydrophobicContact CZ3-CG1 4.31Å; A30-V34 HydrophobicContact CB-CB 4.03Å; A30-V34 HydrophobicContact CB-CG1 4.08Å; A30-V34 HydrophobicContact CB-CG2 3.96Å; G31-V34 WeakPolarHBondContact O-CB 3.39Å; G31-V34 PolarHBondContact O-N 3.42Å; V34-L36 HydrophobicContact CG1-CD2 4.1Å; V34-Q122 PolarHBondContact O-NE2 3.02Å; V34-Y267 HydrophobicContact CG1-CE1 4.11Å; V34-P269 HydrophobicContact CG1-CB 4.25Å; V34-P269 HydrophobicContact CG2-CB 3.63Å; V34-P269 HydrophobicContact CG2-CG 4.42Å
35S90Very high93.8Very high54 Ų5416.5 Ų16.538%0.37811%0.105SC..  trans-126.6125.6172.1-177.40000109.4L33L33-S35 PolarHBondContact O-N 3.33Å
36L92.9Very high93.9Very high26 Ų2616.5 Ų16.514%0.13611%0.105CC..PPolyproline II helixtrans-100.8134.9-178.2-59.8-175.6000111.1W26 V34 L82 L84 A95 M97 Y267W26-L36 HydrophobicContact CE3-CD1 4.32Å; W26-L36 HydrophobicContact CH2-CD1 3.87Å; W26-L36 HydrophobicContact CH2-CD2 4.47Å; W26-L36 HydrophobicContact CZ3-CD1 3.59Å; W26-L36 HydrophobicContact CZ3-CG 4.2Å; V34-L36 HydrophobicContact CG1-CD2 4.1Å; L36-L82 HydrophobicContact CB-CD1 4.06Å; L36-L82 HydrophobicContact CD1-CD1 4.24Å; L36-L82 HydrophobicContact CD1-CD2 4.16Å; L36-L84 HydrophobicContact CD1-CD2 3.53Å; L36-A95 HydrophobicContact CD1-CB 4.14Å; L36-M97 HydrophobicContact CD2-CE 3.91Å; L36-Y267 HydrophobicContact CD2-CD1 3.84Å; L36-Y267 HydrophobicContact CD2-CE1 3.82Å
37P93.4Very high93.9Very high5 Ų516.5 Ų16.53%0.03211%0.105CC..PPolyproline II helixtrans-60.9141.6176.621.3-30.7000112V43 L79 V277 P279P37-V43 HydrophobicContact CB-CG1 3.55Å; P37-V43 HydrophobicContact CG-CG1 3.86Å; P37-L79 HydrophobicContact CB-CD2 4.11Å; P37-L79 HydrophobicContact CG-CD2 3.99Å; P37-L79 VanDerWaalsContact O-CD2 3.25Å; P37-L79 WeakPolarHBondContact O-CD2 3.12Å; P37-V277 HydrophobicContact CG-CG1 4.23Å; P37-P279 HydrophobicContact CB-CG 4.27Å
38P92.8Very high94Very high29 Ų2916.2 Ų16.219%0.18810%0.103CC..PPolyproline II helixtrans-72.6144.1177.630.3-34.8000111.4S41 A112P38-S41 VanDerWaalsContact O-CB 3.29Å; P38-S41 WeakPolarHBondContact O-CB 3.19Å; P38-S41 PolarHBondContact O-N 3.17Å; P38-S41 VanDerWaalsContact O-N 3.14Å; P38-S41 PolarHBondContact O-OG 3.5Å; P38-A112 WeakPolarHBondContact CG-O 3.38Å
39V94.6Very high94.1Very high84 Ų8416.1 Ų16.151%0.50910%0.103SC..THydrogen-bonded Turntrans-58.4140.5176.6-179.60000110.2S41 L79 L80 L82V39-S41 VanDerWaalsContact C-N 3.33Å; V39-L79 HydrophobicContact CG2-CD2 4.49Å; V39-L80 VanDerWaalsContact CG1-O 3.31Å; V39-L80 WeakPolarHBondContact CG1-O 3.46Å; V39-L82 HydrophobicContact CG2-CB 3.69Å
40G94.1Very high94.1Very high24 Ų2416.6 Ų16.625%0.24711%0.105CC..THydrogen-bonded Turntrans88.2-15.2-173.300000114.6K78 L79 A109G40-K78 WeakPolarHBondContact O-CE 3.49Å; G40-L79 WeakPolarHBondContact CA-O 3.21Å; G40-L79 PolarHBondContact N-O 3.3Å; G40-A109 WeakPolarHBondContact O-CA 3.14Å; G40-A109 WeakPolarHBondContact O-CB 3.31Å
41S95.2Very high94.1Very high0 Ų016.6 Ų16.60%011%0.105CC..  trans-76.6159.1-179.967.10000114.4P38 V39 L79 A109P38-S41 VanDerWaalsContact O-CB 3.29Å; P38-S41 WeakPolarHBondContact O-CB 3.19Å; P38-S41 PolarHBondContact O-N 3.17Å; P38-S41 VanDerWaalsContact O-N 3.14Å; P38-S41 PolarHBondContact O-OG 3.5Å; V39-S41 VanDerWaalsContact C-N 3.33Å; S41-L79 PolarHBondContact O-N 3.23Å; S41-A109 WeakPolarHBondContact CA-O 3.36Å
42L97Very high94.1Very high1 Ų118.3 Ų18.31%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-79133.5165.6-64.7177.6000111.4C77 K78 V102 Y105 A109 M110 S113 L280L42-C77 WeakPolarHBondContact CA-O 3.17Å; L42-K78 HydrophobicContact CD2-CB 4.34Å; L42-V102 HydrophobicContact CD2-CG2 3.78Å; L42-Y105 HydrophobicContact CD1-CD1 4.07Å; L42-Y105 HydrophobicContact CD1-CG 4.45Å; L42-A109 HydrophobicContact CD1-CB 4.47Å; L42-A109 HydrophobicContact CD2-CB 4.07Å; L42-A109 HydrophobicContact CG-CB 3.77Å; L42-A109 PolarHBondContact N-O 2.93Å; L42-M110 HydrophobicContact CD1-CB 4.17Å; L42-S113 WeakPolarHBondContact O-CB 3.36Å; L42-S113 PolarHBondContact O-OG 3.41Å; L42-L280 HydrophobicContact CB-CB 3.91Å; L42-L280 HydrophobicContact CB-CD2 3.71Å; L42-L280 HydrophobicContact CB-CG 4.48Å; L42-L280 HydrophobicContact CD1-CD2 3.71Å; L42-L280 HydrophobicContact CG-CD2 4.35Å; L42-L280 WeakPolarHBondContact O-CB 3.39Å; L42-L280 PolarHBondContact O-N 2.95Å
43V97Very high94.3Very high0 Ų017.6 Ų17.60%011%0.106CC..EExtended strand (participates in β ladder)trans-133.6160178.9-59.90000111.1P37 I76 C77 L99 V277 I278P37-V43 HydrophobicContact CB-CG1 3.55Å; P37-V43 HydrophobicContact CG-CG1 3.86Å; V43-I76 WeakPolarHBondContact O-CA 3.01Å; V43-C77 HydrophobicContact CG2-CB 4.06Å; V43-C77 PolarHBondContact N-O 3.42Å; V43-C77 PolarHBondContact O-N 3.01Å; V43-L99 HydrophobicContact CG2-CD2 3.77Å; V43-V277 HydrophobicContact CB-CG1 3.91Å; V43-V277 HydrophobicContact CG1-CG1 4.25Å; V43-V277 HydrophobicContact CG2-CG1 3.78Å; V43-I278 CarbonylContact C-O 3.5Å; V43-I278 VanDerWaalsContact CA-O 3.25Å; V43-I278 WeakPolarHBondContact CA-O 3.27Å
44V97.3Very high94.4Very high1 Ų114.7 Ų14.71%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-111.3115.5173-1700000108.7F46 K74 L75 I76 V277 I278 L280 Y283V44-F46 HydrophobicContact CB-CE2 3.96Å; V44-F46 HydrophobicContact CB-CZ 4.47Å; V44-F46 HydrophobicContact CG1-CD2 4.26Å; V44-F46 HydrophobicContact CG1-CE1 4.49Å; V44-F46 HydrophobicContact CG1-CE2 3.51Å; V44-F46 HydrophobicContact CG1-CZ 3.63Å; V44-K74 HydrophobicContact CG1-CB 3.85Å; V44-L75 CarbonylContact C-O 3.59Å; V44-L75 WeakPolarHBondContact CA-O 3.45Å; V44-I76 HydrophobicContact CG2-CG1 4.48Å; V44-V277 WeakPolarHBondContact O-CA 3.15Å; V44-I278 PolarHBondContact N-O 3.13Å; V44-I278 PolarHBondContact O-N 2.69Å; V44-L280 HydrophobicContact CG2-CD1 3.63Å; V44-Y283 HydrophobicContact CB-CG 4.47Å; V44-Y283 HydrophobicContact CG2-CD1 3.83Å; V44-Y283 HydrophobicContact CG2-CD2 4.49Å; V44-Y283 HydrophobicContact CG2-CE1 4.39Å; V44-Y283 HydrophobicContact CG2-CG 3.86Å
45Y98Very high94.2Very high1 Ų114.3 Ų14.30%0.0049%0.09CC..EExtended strand (participates in β ladder)trans-93.8129.9176.9166-102.1000110.7P47 H50 K74 L75 L99 A253 F263 I265 F276 V277Y45-P47 HydrophobicContact CD1-CG 4.24Å; Y45-P47 HydrophobicContact CE1-CB 4.19Å; Y45-P47 HydrophobicContact CE1-CG 3.78Å; Y45-H50 HydrophobicContact CE2-CB 3.97Å; Y45-H50 AromaticContact CE2-ND1 3.62Å; Y45-H50 AromaticContact CZ-ND1 3.71Å; Y45-H50 PolarHBondContact OH-ND1 2.97Å; Y45-K74 WeakPolarHBondContact O-CA 3.34Å; Y45-L75 HydrophobicContact CD1-CB 4.32Å; Y45-L75 HydrophobicContact CD1-CD1 4.1Å; Y45-L75 HydrophobicContact CD1-CG 4.48Å; Y45-L75 HydrophobicContact CE1-CD1 4.47Å; Y45-L75 PolarHBondContact N-O 2.86Å; Y45-L75 PolarHBondContact O-N 3.08Å; Y45-L99 HydrophobicContact CD2-CD1 3.97Å; Y45-L99 HydrophobicContact CG-CD1 4.11Å; Y45-A253 HydrophobicContact CE1-CB 3.8Å; Y45-F263 HydrophobicContact CD1-CE2 4.45Å; Y45-F263 AromaticContact CD1-CZ 3.96Å; Y45-F263 HydrophobicContact CD1-CZ 3.96Å; Y45-F263 HydrophobicContact CE1-CE2 4.07Å; Y45-F263 AromaticContact CE1-CZ 4Å; Y45-F263 HydrophobicContact CE1-CZ 4Å; Y45-F263 HydrophobicContact CE2-CE2 4.37Å; Y45-F263 HydrophobicContact CG-CZ 4.25Å; Y45-I265 HydrophobicContact CD2-CD1 4.23Å; Y45-I265 HydrophobicContact CE2-CD1 4.33Å; Y45-I265 HydrophobicContact CE2-CG2 4.15Å; Y45-F276 WeakPolarHBondContact CA-O 3.4Å; Y45-F276 HydrophobicContact CD2-CD2 4.04Å; Y45-F276 HydrophobicContact CD2-CE2 4.32Å; Y45-F276 AromaticContact CE2-CD2 3.96Å; Y45-F276 HydrophobicContact CE2-CD2 3.96Å; Y45-F276 AromaticContact CE2-CE2 3.98Å; Y45-F276 HydrophobicContact CE2-CE2 3.98Å; Y45-V277 HydrophobicContact CD2-CG2 4.36Å
46F97.4Very high94.1Very high0 Ų013.6 Ų13.60%09%0.087CC..  trans-109.7108.1177.8-69.6-89000110.8V44 Q48 G49 H50 S73 K74 F276 I278 Y283 W331 W353V44-F46 HydrophobicContact CB-CE2 3.96Å; V44-F46 HydrophobicContact CB-CZ 4.47Å; V44-F46 HydrophobicContact CG1-CD2 4.26Å; V44-F46 HydrophobicContact CG1-CE1 4.49Å; V44-F46 HydrophobicContact CG1-CE2 3.51Å; V44-F46 HydrophobicContact CG1-CZ 3.63Å; F46-Q48 PolarHBondContact O-N 3.49Å; F46-Q48 VanDerWaalsContact O-N 3.17Å; F46-G49 PolarHBondContact O-N 3.07Å; F46-H50 PolarHBondContact O-N 2.93Å; F46-S73 WeakPolarHBondContact CD1-O 3.46Å; F46-K74 HydrophobicContact CD1-CB 4.11Å; F46-K74 HydrophobicContact CE1-CB 3.76Å; F46-K74 HydrophobicContact CE1-CD 4.44Å; F46-K74 HydrophobicContact CZ-CB 4.21Å; F46-F276 HydrophobicContact CB-CB 4.39Å; F46-F276 PolarHBondContact N-O 3.44Å; F46-I278 HydrophobicContact CD2-CG1 4.2Å; F46-I278 HydrophobicContact CE2-CG1 3.93Å; F46-Y283 HydrophobicContact CE2-CD2 4.43Å; F46-Y283 HydrophobicContact CZ-CD2 4.01Å; F46-Y283 AromaticContact CZ-CE2 3.74Å; F46-Y283 HydrophobicContact CZ-CE2 3.74Å; F46-W331 HydrophobicContact CB-CD2 4.38Å; F46-W331 HydrophobicContact CB-CE3 3.63Å; F46-W331 HydrophobicContact CB-CZ3 4.13Å; F46-W331 HydrophobicContact CD1-CB 4.25Å; F46-W331 HydrophobicContact CD1-CE3 4.26Å; F46-W331 HydrophobicContact CD2-CE3 4.35Å; F46-W331 AromaticContact CG-CE3 3.83Å; F46-W331 HydrophobicContact CG-CE3 3.83Å; F46-W331 HydrophobicContact CG-CZ3 4.45Å; F46-W353 HydrophobicContact CD1-CH2 4.1Å; F46-W353 AromaticContact CD2-CH2 3.97Å; F46-W353 HydrophobicContact CD2-CH2 3.97Å; F46-W353 HydrophobicContact CD2-CZ2 4.1Å; F46-W353 AromaticContact CE1-CH2 3.61Å; F46-W353 HydrophobicContact CE1-CH2 3.61Å; F46-W353 HydrophobicContact CE1-CZ3 4.07Å; F46-W353 AromaticContact CE2-CH2 3.47Å; F46-W353 HydrophobicContact CE2-CH2 3.47Å; F46-W353 VanDerWaalsContact CE2-CH2 3.47Å; F46-W353 AromaticContact CE2-CZ2 3.89Å; F46-W353 HydrophobicContact CE2-CZ2 3.89Å; F46-W353 AromaticContact CE2-CZ3 3.9Å; F46-W353 HydrophobicContact CE2-CZ3 3.9Å; F46-W353 HydrophobicContact CG-CH2 4.26Å; F46-W353 HydrophobicContact CZ-CE3 4.49Å; F46-W353 AromaticContact CZ-CH2 3.28Å; F46-W353 HydrophobicContact CZ-CH2 3.28Å; F46-W353 HydrophobicContact CZ-CZ2 4.17Å; F46-W353 AromaticContact CZ-CZ3 3.48Å; F46-W353 HydrophobicContact CZ-CZ3 3.48Å; F46-W353 VanDerWaalsContact CZ-CZ3 3.48Å
47P96.3Very high93.7Very high0 Ų015.4 Ų15.40%010%0.102CC..Hα-helixtrans-59.8-28.5179.8-20.529.8000113.7Y45 S51 L71 L250 W326Y45-P47 HydrophobicContact CD1-CG 4.24Å; Y45-P47 HydrophobicContact CE1-CB 4.19Å; Y45-P47 HydrophobicContact CE1-CG 3.78Å; P47-S51 PolarHBondContact O-N 2.81Å; P47-S51 PolarHBondContact O-OG 2.95Å; P47-L71 HydrophobicContact CB-CD2 3.93Å; P47-L71 HydrophobicContact CG-CD1 4.09Å; P47-L71 HydrophobicContact CG-CD2 3.86Å; P47-L71 HydrophobicContact CG-CG 3.97Å; P47-L250 HydrophobicContact CB-CD2 3.7Å; P47-W326 HydrophobicContact CB-CH2 3.79Å; P47-W326 HydrophobicContact CB-CZ2 4.44Å; P47-W326 HydrophobicContact CB-CZ3 4.39Å; P47-W326 HydrophobicContact CG-CH2 4.18Å; P47-W326 HydrophobicContact CG-CZ3 4.35Å
48Q95.2Very high93.1Very high1 Ų116.7 Ų16.71%0.00511%0.108CC..Hα-helixtrans-65.7-46.6176.9-68.9176.1-91.500112.3F46 H50 S51 E52 V65 W326 S329 W331F46-Q48 PolarHBondContact O-N 3.49Å; F46-Q48 VanDerWaalsContact O-N 3.17Å; Q48-H50 VanDerWaalsContact C-N 3.34Å; Q48-H50 PolarHBondContact O-N 2.88Å; Q48-S51 WeakPolarHBondContact O-CA 3.46Å; Q48-S51 WeakPolarHBondContact O-CB 3.32Å; Q48-S51 PolarHBondContact O-N 3.41Å; Q48-S51 VanDerWaalsContact O-N 3.12Å; Q48-E52 PolarHBondContact O-N 2.88Å; Q48-V65 HydrophobicContact CB-CG1 4.48Å; Q48-V65 HydrophobicContact CG-CG1 4.22Å; Q48-W326 HydrophobicContact CG-CB 4.43Å; Q48-W326 HydrophobicContact CG-CD2 3.64Å; Q48-W326 HydrophobicContact CG-CE3 4.27Å; Q48-W326 HydrophobicContact CG-CG 3.73Å; Q48-W326 HydrophobicContact CG-CZ2 4.17Å; Q48-S329 VanDerWaalsContact OE1-CB 3.27Å; Q48-S329 PolarHBondContact OE1-OG 3.06Å; Q48-W331 HydrophobicContact CB-CB 4.3Å; Q48-W331 HydrophobicContact CB-CD2 4.45Å; Q48-W331 HydrophobicContact CB-CG 3.84Å
49G95.2Very high92.3Very high0 Ų020.9 Ų20.90%013%0.125CC..Hα-helixtrans-69-31.6178.800000113.8F46 S51 E52 Q53 W331F46-G49 PolarHBondContact O-N 3.07Å; G49-S51 VanDerWaalsContact C-N 3.32Å; G49-E52 PolarHBondContact O-N 3.1Å; G49-Q53 PolarHBondContact O-N 3.44Å; G49-Q53 VanDerWaalsContact O-N 3.1Å; G49-W331 VanDerWaalsContact CA-CE2 3.43Å
50H95.5Very high91.4Very high11 Ų1122.3 Ų22.35%0.05112%0.124CC..Hα-helixtrans-65-38.6170.2-164.3-173.8000111.1Y45 F46 Q48 Q53 V54 I249 F276Y45-H50 HydrophobicContact CE2-CB 3.97Å; Y45-H50 AromaticContact CE2-ND1 3.62Å; Y45-H50 AromaticContact CZ-ND1 3.71Å; Y45-H50 PolarHBondContact OH-ND1 2.97Å; F46-H50 PolarHBondContact O-N 2.93Å; Q48-H50 VanDerWaalsContact C-N 3.34Å; Q48-H50 PolarHBondContact O-N 2.88Å; H50-Q53 PolarHBondContact O-N 3.33Å; H50-V54 WeakPolarHBondContact O-CG2 3.41Å; H50-V54 PolarHBondContact O-N 3.39Å; H50-V54 VanDerWaalsContact O-N 3.14Å; H50-I249 HydrophobicContact CB-CG2 4.5Å; H50-I249 VanDerWaalsContact ND1-CG2 3.28Å; H50-I249 WeakPolarHBondContact ND1-CG2 3.47Å; H50-F276 HydrophobicContact CB-CD2 3.68Å; H50-F276 HydrophobicContact CB-CE1 4.46Å; H50-F276 HydrophobicContact CB-CE2 3.52Å; H50-F276 HydrophobicContact CB-CG 4.24Å; H50-F276 HydrophobicContact CB-CZ 3.95Å; H50-F276 AromaticContact CD2-CE2 3.76Å; H50-F276 AromaticContact CD2-CZ 3.5Å; H50-F276 VanDerWaalsContact CD2-CZ 3.5Å; H50-F276 WeakPolarHBondContact CD2-CZ 3.46Å; H50-F276 AromaticContact CG-CE2 3.52Å; H50-F276 AromaticContact CG-CZ 3.76Å
51S93.4Very high90.2Very high0 Ų030.3 Ų30.30%016%0.155CC..Hα-helixtrans-66.9-40.9174.7-570000112.5P47 Q48 G49 Q53 V54 A55 H246P47-S51 PolarHBondContact O-N 2.81Å; P47-S51 PolarHBondContact O-OG 2.95Å; Q48-S51 WeakPolarHBondContact O-CA 3.46Å; Q48-S51 WeakPolarHBondContact O-CB 3.32Å; Q48-S51 PolarHBondContact O-N 3.41Å; Q48-S51 VanDerWaalsContact O-N 3.12Å; G49-S51 VanDerWaalsContact C-N 3.32Å; S51-Q53 VanDerWaalsContact C-N 3.3Å; S51-Q53 PolarHBondContact O-N 3.16Å; S51-V54 WeakPolarHBondContact O-CB 3.39Å; S51-V54 PolarHBondContact O-N 2.86Å; S51-A55 PolarHBondContact O-N 2.87Å; S51-H246 PolarHBondContact O-NE2 3.1Å
52E92.3Very high89Confident38 Ų3833.3 Ų33.318%0.17817%0.171CC..Hα-helixtrans-59.7-39.6173.2-73.5-177.1-168.900112.3Q48 G49 A55 A56 W331 R332Q48-E52 PolarHBondContact O-N 2.88Å; G49-E52 PolarHBondContact O-N 3.1Å; E52-A55 PolarHBondContact O-N 3.11Å; E52-A56 WeakPolarHBondContact O-CB 3.43Å; E52-A56 PolarHBondContact O-N 2.89Å; E52-W331 VanDerWaalsContact CD-NE1 3.29Å; E52-W331 PolarHBondContact OE1-NE1 3.18Å; E52-R332 VanDerWaalsContact CD-NE 3.33Å; E52-R332 WeakPolarHBondContact OE1-CD 3.29Å; E52-R332 IonicContact OE1-CZ 3.77Å; E52-R332 IonicContact OE1-NE 3.81Å; E52-R332 PolarHBondContact OE1-NE 2.8Å; E52-R332 IonicContact OE2-CZ 2.73Å; E52-R332 VanDerWaalsContact OE2-CZ 3.25Å; E52-R332 IonicContact OE2-NE 2.75Å; E52-R332 PolarHBondContact OE2-NE 3.28Å; E52-R332 IonicContact OE2-NH2 2.74Å; E52-R332 PolarHBondContact OE2-NH2 3.13Å
53Q92.6Very high87.7Confident12 Ų1241 Ų416%0.05621%0.212CC..Hα-helixtrans-64.1-41174.8-171.1-166.6-100.200111.9G49 H50 S51 A56 S57 F266 A271 F276G49-Q53 PolarHBondContact O-N 3.44Å; G49-Q53 VanDerWaalsContact O-N 3.1Å; H50-Q53 PolarHBondContact O-N 3.33Å; S51-Q53 VanDerWaalsContact C-N 3.3Å; S51-Q53 PolarHBondContact O-N 3.16Å; Q53-A56 PolarHBondContact O-N 3.33Å; Q53-S57 WeakPolarHBondContact O-CB 3.46Å; Q53-S57 PolarHBondContact O-N 3.46Å; Q53-S57 PolarHBondContact O-OG 3.37Å; Q53-F266 PolarHBondContact NE2-O 2.92Å; Q53-A271 HydrophobicContact CG-CB 4.31Å; Q53-F276 HydrophobicContact CB-CE1 4.16Å
54V90.1Very high86.8Confident8 Ų844.2 Ų44.25%0.04823%0.232CC..Hα-helixtrans-60.5-47.6175.7171.40000110.9H50 S51 A56 S57 M58 M245 I249H50-V54 WeakPolarHBondContact O-CG2 3.41Å; H50-V54 PolarHBondContact O-N 3.39Å; H50-V54 VanDerWaalsContact O-N 3.14Å; S51-V54 WeakPolarHBondContact O-CB 3.39Å; S51-V54 PolarHBondContact O-N 2.86Å; V54-A56 PolarHBondContact O-N 3.37Å; V54-S57 PolarHBondContact O-N 3.04Å; V54-M58 HydrophobicContact CG1-SD 4.19Å; V54-M58 WeakPolarHBondContact O-CB 3.29Å; V54-M58 VanDerWaalsContact O-CG 3.31Å; V54-M58 WeakPolarHBondContact O-CG 3.13Å; V54-M58 PolarHBondContact O-N 2.74Å; V54-M245 HydrophobicContact CG1-CB 4.24Å; V54-M245 HydrophobicContact CG1-CG 3.97Å; V54-M245 HydrophobicContact CG1-SD 3.68Å; V54-M245 HydrophobicContact CG2-SD 4.42Å; V54-I249 HydrophobicContact CG2-CD1 3.37Å
55A88.9Confident86.2Confident5 Ų544.8 Ų44.84%0.04124%0.235CC..Hα-helixtrans-56.7-48.9176.600000111.5S51 E52 M58 H59 K60 L62S51-A55 PolarHBondContact O-N 2.87Å; E52-A55 PolarHBondContact O-N 3.11Å; A55-M58 CarbonylContact O-C 3.56Å; A55-M58 PolarHBondContact O-N 3.36Å; A55-H59 PolarHBondContact O-N 2.85Å; A55-K60 CarbonylContact C-O 3.37Å; A55-K60 WeakPolarHBondContact CB-O 3.3Å; A55-K60 PolarHBondContact O-N 3.34Å; A55-K60 VanDerWaalsContact O-O 3.11Å; A55-L62 HydrophobicContact CB-CB 3.99Å; A55-L62 HydrophobicContact CB-CD2 4.18Å
56A86.3Confident85.6Confident39 Ų3946.5 Ų46.532%0.32225%0.246SC..Hα-helixtrans-61.9-47.2177.900000113.3E52 Q53 V54 M58 H59 A271E52-A56 WeakPolarHBondContact O-CB 3.43Å; E52-A56 PolarHBondContact O-N 2.89Å; Q53-A56 PolarHBondContact O-N 3.33Å; V54-A56 PolarHBondContact O-N 3.37Å; A56-M58 PolarHBondContact O-N 2.68Å; A56-H59 PolarHBondContact O-N 2.93Å; A56-H59 PolarHBondContact O-ND1 3.4Å; A56-A271 VanDerWaalsContact CB-O 3.28Å; A56-A271 WeakPolarHBondContact CB-O 3.35Å
57S84.3Confident85.1Confident65 Ų6548.7 Ų48.746%0.45526%0.262SS..Hα-helixtrans-64.8-21.7176.5-700000113.7Q53 V54 A271Q53-S57 WeakPolarHBondContact O-CB 3.46Å; Q53-S57 PolarHBondContact O-N 3.46Å; Q53-S57 PolarHBondContact O-OG 3.37Å; V54-S57 PolarHBondContact O-N 3.04Å; S57-A271 VanDerWaalsContact OG-CB 3.32Å; S57-A271 WeakPolarHBondContact OG-CB 3.16Å
58M81.3Confident84.8Confident31 Ų3153.2 Ų53.215%0.15328%0.28CS..THydrogen-bonded Turntrans-95.24.2173.6-64.4-167.982.400113.4V54 A55 A56 K60 S242 M245V54-M58 HydrophobicContact CG1-SD 4.19Å; V54-M58 WeakPolarHBondContact O-CB 3.29Å; V54-M58 VanDerWaalsContact O-CG 3.31Å; V54-M58 WeakPolarHBondContact O-CG 3.13Å; V54-M58 PolarHBondContact O-N 2.74Å; A55-M58 CarbonylContact O-C 3.56Å; A55-M58 PolarHBondContact O-N 3.36Å; A56-M58 PolarHBondContact O-N 2.68Å; M58-K60 HydrophobicContact CB-CG 4.44Å; M58-K60 PolarHBondContact O-N 2.82Å; M58-S242 VanDerWaalsContact SD-CA 3.52Å; M58-S242 WeakPolarHBondContact SD-CB 3.45Å; M58-S242 PolarHBondContact SD-OG 2.99Å; M58-M245 HydrophobicContact CE-CE 4.38Å; M58-M245 HydrophobicContact SD-CE 4.04Å; M58-M245 HydrophobicContact SD-SD 4.1Å
59H76.4Confident84.4Confident117 Ų11759.7 Ų59.754%0.54232%0.322SS..THydrogen-bonded Turntrans48.939.8-172.3-59.3-33000113.1A55 A56A55-H59 PolarHBondContact O-N 2.85Å; A56-H59 PolarHBondContact O-N 2.93Å; A56-H59 PolarHBondContact O-ND1 3.4Å
60K76.2Confident84.1Confident114 Ų11463.4 Ų63.450%0.49635%0.348SS..  trans-114.3128.2174.4-70.7-166.2174.4-159.10110A55 M58A55-K60 CarbonylContact C-O 3.37Å; A55-K60 WeakPolarHBondContact CB-O 3.3Å; A55-K60 PolarHBondContact O-N 3.34Å; A55-K60 VanDerWaalsContact O-O 3.11Å; M58-K60 HydrophobicContact CB-CG 4.44Å; M58-K60 PolarHBondContact O-N 2.82Å
61E68.7Low84.1Confident192 Ų19263.5 Ų63.590%0.89735%0.349SS*.  trans-71.9149162.1-165.7159.4-151.900109.6
62L70.4Confident84.1Confident64 Ų6466.6 Ų66.634%0.33537%0.369SS..  trans-136.596.1-170.3-179.463.6000110.7A55 T64 V65A55-L62 HydrophobicContact CB-CB 3.99Å; A55-L62 HydrophobicContact CB-CD2 4.18Å; L62-T64 VanDerWaalsContact C-N 3.27Å; L62-T64 WeakPolarHBondContact CD1-O 3.37Å; L62-T64 PolarHBondContact O-N 2.88Å; L62-V65 HydrophobicContact CD2-CG2 4.23Å
63D69.1Low84.3Confident162 Ų16265.2 Ų65.287%0.86636%0.364SS*.SBendtrans-55-38.1-176-57.6-43.1000113.7
64T79Confident84.5Confident67 Ų6767.5 Ų67.541%0.41137%0.373SS..SBendtrans-141.1131.5174.870.60000110.9L62 R325L62-T64 VanDerWaalsContact C-N 3.27Å; L62-T64 WeakPolarHBondContact CD1-O 3.37Å; L62-T64 PolarHBondContact O-N 2.88Å; T64-R325 PolarHBondContact OG1-NE 2.78Å; T64-R325 PolarHBondContact OG1-NH2 3.48Å
65V83Confident84.8Confident13 Ų1367.8 Ų67.88%0.07937%0.374CS..  trans-71.3121.9175.6176.80000109.7Q48 L62 R325 W326Q48-V65 HydrophobicContact CB-CG1 4.48Å; Q48-V65 HydrophobicContact CG-CG1 4.22Å; L62-V65 HydrophobicContact CD2-CG2 4.23Å; V65-R325 WeakPolarHBondContact O-CD 3.46Å; V65-W326 PolarHBondContact O-NE1 3.48Å
66P87Confident85.1Confident37 Ų3769.6 Ų69.624%0.2438%0.383CS..  trans-59.8157.8-179.622.9-31.6000112.2H246 L250 W326P66-H246 HydrophobicContact CG-CB 3.8Å; P66-L250 HydrophobicContact CB-CD1 4.09Å; P66-L250 HydrophobicContact CG-CD1 3.96Å; P66-L250 VanDerWaalsContact O-CD1 3.22Å; P66-L250 WeakPolarHBondContact O-CD1 3.41Å; P66-W326 VanDerWaalsContact O-CZ2 3.24Å; P66-W326 WeakPolarHBondContact O-CZ2 3.38Å; P66-W326 PolarHBondContact O-NE1 2.97Å
67S87Confident85.7Confident47 Ų4767.8 Ų67.833%0.32937%0.368SS..  trans-129.4134.9-170.152.60000111.8R325S67-R325 PolarHBondContact OG-NH1 2.85Å
68Y88.8Confident86.3Confident94 Ų9467.5 Ų67.537%0.36936%0.358SS..  trans-107.1118.3175.8-158.2-81.4000109.4S70 L71 L250 A251 A254Y68-S70 VanDerWaalsContact C-N 3.25Å; Y68-S70 WeakPolarHBondContact CD1-OG 3.41Å; Y68-S70 WeakPolarHBondContact CE1-OG 3.46Å; Y68-S70 PolarHBondContact O-N 2.9Å; Y68-L71 WeakPolarHBondContact O-CB 3.47Å; Y68-L71 PolarHBondContact O-N 2.81Å; Y68-L250 HydrophobicContact CD2-CB 4.47Å; Y68-A251 HydrophobicContact CD2-CB 4.35Å; Y68-A251 HydrophobicContact CE2-CB 3.81Å; Y68-A254 HydrophobicContact CD1-CB 3.4Å; Y68-A254 HydrophobicContact CE1-CB 3.59Å; Y68-A254 HydrophobicContact CG-CB 4.07Å
69P87.5Confident87Confident137 Ų13766 Ų6689%0.8935%0.351SS*.THydrogen-bonded Turntrans-58.5-24.6-164.2-30.136.3000117.2
70S89.4Confident88Confident79 Ų7963.5 Ų63.555%0.55234%0.341SS*.THydrogen-bonded Turntrans-965.4177.961.30000114.6Y68Y68-S70 VanDerWaalsContact C-N 3.25Å; Y68-S70 WeakPolarHBondContact CD1-OG 3.41Å; Y68-S70 WeakPolarHBondContact CE1-OG 3.46Å; Y68-S70 PolarHBondContact O-N 2.9Å
71L94.6Very high89Confident12 Ų1260.3 Ų60.36%0.06333%0.333CS..  trans-106.7113.8-175.7179.858.4000110.7P47 Y68 L75 L250 A253 A254 W326P47-L71 HydrophobicContact CB-CD2 3.93Å; P47-L71 HydrophobicContact CG-CD1 4.09Å; P47-L71 HydrophobicContact CG-CD2 3.86Å; P47-L71 HydrophobicContact CG-CG 3.97Å; Y68-L71 WeakPolarHBondContact O-CB 3.47Å; Y68-L71 PolarHBondContact O-N 2.81Å; L71-L75 HydrophobicContact CD1-CD1 3.84Å; L71-L75 HydrophobicContact CD1-CD2 4.44Å; L71-L75 HydrophobicContact CD1-CG 4.2Å; L71-L250 HydrophobicContact CD2-CB 4.21Å; L71-L250 HydrophobicContact CD2-CD2 3.83Å; L71-A253 HydrophobicContact CD1-CB 3.97Å; L71-A253 HydrophobicContact CD2-CB 3.99Å; L71-A254 HydrophobicContact CB-CB 4.17Å; L71-W326 HydrophobicContact CD2-CH2 4.13Å; L71-W326 HydrophobicContact CG-CH2 4.3Å; L71-W326 HydrophobicContact CG-CZ3 4.47Å
72P94.4Very high90.3Very high65 Ų6553 Ų5342%0.42230%0.3SS..  trans-66.2159.9173.728.3-36.9000112.3K74 L75P72-K74 WeakPolarHBondContact CG-O 3.46Å; P72-K74 PolarHBondContact O-N 3.19Å; P72-L75 HydrophobicContact CG-CD2 3.6Å; P72-L75 HydrophobicContact CG-CG 4.47Å
73S95.6Very high91.5Very high10 Ų1052.9 Ų52.97%0.0730%0.302CS..SBendtrans-60.2-12.2178.352.20000115.3F46 N328F46-S73 WeakPolarHBondContact CD1-O 3.46Å; S73-N328 PolarHBondContact OG-O 3.09Å
74K95.9Very high92.8Very high59 Ų5946.7 Ų46.726%0.25727%0.269SS..  trans-153.7141.6178.651.7-173.5168.6-71.50110.1V44 Y45 F46 P72 Y283 N328V44-K74 HydrophobicContact CG1-CB 3.85Å; Y45-K74 WeakPolarHBondContact O-CA 3.34Å; F46-K74 HydrophobicContact CD1-CB 4.11Å; F46-K74 HydrophobicContact CE1-CB 3.76Å; F46-K74 HydrophobicContact CE1-CD 4.44Å; F46-K74 HydrophobicContact CZ-CB 4.21Å; P72-K74 WeakPolarHBondContact CG-O 3.46Å; P72-K74 PolarHBondContact O-N 3.19Å; K74-Y283 WeakPolarHBondContact CD-OH 3.28Å; K74-Y283 WeakPolarHBondContact CE-OH 3.32Å; K74-N328 PolarHBondContact NZ-O 2.87Å
75L96.2Very high93.6Very high14 Ų1446.1 Ų46.17%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-118136.8169.7-66.3174.9000109.4V44 Y45 L71 P72 P101 A253 A257V44-L75 CarbonylContact C-O 3.59Å; V44-L75 WeakPolarHBondContact CA-O 3.45Å; Y45-L75 HydrophobicContact CD1-CB 4.32Å; Y45-L75 HydrophobicContact CD1-CD1 4.1Å; Y45-L75 HydrophobicContact CD1-CG 4.48Å; Y45-L75 HydrophobicContact CE1-CD1 4.47Å; Y45-L75 PolarHBondContact N-O 2.86Å; Y45-L75 PolarHBondContact O-N 3.08Å; L71-L75 HydrophobicContact CD1-CD1 3.84Å; L71-L75 HydrophobicContact CD1-CD2 4.44Å; L71-L75 HydrophobicContact CD1-CG 4.2Å; P72-L75 HydrophobicContact CG-CD2 3.6Å; P72-L75 HydrophobicContact CG-CG 4.47Å; L75-P101 HydrophobicContact CD1-CG 4.34Å; L75-A253 HydrophobicContact CD1-CB 4.43Å; L75-A257 HydrophobicContact CD1-CB 4.04Å; L75-A257 HydrophobicContact CD2-CB 3.65Å
76I96.9Very high94.2Very high44 Ų4446.3 Ų46.323%0.22626%0.264CS..EExtended strand (participates in β ladder)trans-90.2125.8167.8-57.5172.9000107.6V43 V44 P101 V102 Y105 L280V43-I76 WeakPolarHBondContact O-CA 3.01Å; V44-I76 HydrophobicContact CG2-CG1 4.48Å; I76-P101 WeakPolarHBondContact O-CA 3.49Å; I76-V102 HydrophobicContact CG2-CG2 4.29Å; I76-V102 PolarHBondContact O-N 2.87Å; I76-Y105 HydrophobicContact CD1-CE1 3.86Å; I76-Y105 WeakPolarHBondContact CD1-OH 3.45Å; I76-Y105 HydrophobicContact CG2-CD1 4.49Å; I76-Y105 HydrophobicContact CG2-CE1 4Å; I76-L280 HydrophobicContact CD1-CD1 4.45Å; I76-L280 HydrophobicContact CG2-CD2 4.39Å
77C97.5Very high94.5Very high0 Ų047.3 Ų47.30%027%0.268CS..EExtended strand (participates in β ladder)trans-129.4152.3-175-60.50000111.2L42 V43 L99 Q100L42-C77 WeakPolarHBondContact CA-O 3.17Å; V43-C77 HydrophobicContact CG2-CB 4.06Å; V43-C77 PolarHBondContact N-O 3.42Å; V43-C77 PolarHBondContact O-N 3.01Å; C77-L99 HydrophobicContact CB-CB 4.02Å; C77-L99 HydrophobicContact CB-CD2 4.4Å; C77-Q100 CarbonylContact C-O 3.54Å; C77-Q100 WeakPolarHBondContact CA-O 3.38Å; C77-Q100 WeakPolarHBondContact CB-O 3.39Å
78K97Very high94.6Very high59 Ų5949.9 Ų49.926%0.25729%0.286SS..EExtended strand (participates in β ladder)trans-88.6133158.6-166.7167.6-177.4171.10108.4G40 L42 L80 Q100 V102 D106 A109G40-K78 WeakPolarHBondContact O-CE 3.49Å; L42-K78 HydrophobicContact CD2-CB 4.34Å; K78-L80 HydrophobicContact CB-CD2 4.49Å; K78-L80 HydrophobicContact CG-CD2 4.43Å; K78-L80 PolarHBondContact O-N 2.98Å; K78-Q100 PolarHBondContact N-O 3.35Å; K78-Q100 PolarHBondContact O-N 3.33Å; K78-V102 HydrophobicContact CB-CG1 4.2Å; K78-D106 IonicContact NZ-OD2 3.03Å; K78-D106 PolarHBondContact NZ-OD2 2.91Å; K78-A109 HydrophobicContact CD-CB 4.17Å; K78-A109 HydrophobicContact CG-CB 4.48Å
79L97.2Very high94.6Very high0 Ų051 Ų510%029%0.294CS..EExtended strand (participates in β ladder)trans-79.9108.2173.817762.5000109P37 V39 G40 S41 S81 L82 M97 L99P37-L79 HydrophobicContact CB-CD2 4.11Å; P37-L79 HydrophobicContact CG-CD2 3.99Å; P37-L79 VanDerWaalsContact O-CD2 3.25Å; P37-L79 WeakPolarHBondContact O-CD2 3.12Å; V39-L79 HydrophobicContact CG2-CD2 4.49Å; G40-L79 WeakPolarHBondContact CA-O 3.21Å; G40-L79 PolarHBondContact N-O 3.3Å; S41-L79 PolarHBondContact O-N 3.23Å; L79-S81 VanDerWaalsContact CD1-O 3.28Å; L79-S81 WeakPolarHBondContact CD1-O 3.39Å; L79-L82 HydrophobicContact CD2-CB 4.37Å; L79-L82 HydrophobicContact CD2-CD1 4.11Å; L79-M97 HydrophobicContact CD1-CB 3.86Å; L79-M97 HydrophobicContact CD1-CG 4.31Å; L79-L99 HydrophobicContact CB-CD2 4.33Å; L79-L99 HydrophobicContact CD1-CD2 3.72Å
80L96.9Very high94.7Very high65 Ų6546.6 Ų46.634%0.3427%0.265SS..EExtended strand (participates in β ladder)trans-83.3-36.5-176.3-60.4-170.1000113V39 K78 M98 Q100 P262V39-L80 VanDerWaalsContact CG1-O 3.31Å; V39-L80 WeakPolarHBondContact CG1-O 3.46Å; K78-L80 HydrophobicContact CB-CD2 4.49Å; K78-L80 HydrophobicContact CG-CD2 4.43Å; K78-L80 PolarHBondContact O-N 2.98Å; L80-M98 HydrophobicContact CB-CB 4.38Å; L80-M98 HydrophobicContact CB-CG 4.3Å; L80-M98 HydrophobicContact CB-SD 4.46Å; L80-M98 HydrophobicContact CD1-CG 4.48Å; L80-M98 HydrophobicContact CD1-SD 4.34Å; L80-M98 PolarHBondContact N-O 3.1Å; L80-Q100 HydrophobicContact CD1-CB 3.86Å; L80-Q100 HydrophobicContact CD2-CB 4.31Å; L80-Q100 HydrophobicContact CG-CB 4Å; L80-P262 HydrophobicContact CD1-CB 4.02Å; L80-P262 HydrophobicContact CD1-CG 3.72Å
81S96.9Very high94.9Very high46 Ų4643.1 Ų43.132%0.32224%0.24SC..EExtended strand (participates in β ladder)trans-154.3153.817567.40000111.4L79 M97 M98L79-S81 VanDerWaalsContact CD1-O 3.28Å; L79-S81 WeakPolarHBondContact CD1-O 3.39Å; S81-M97 WeakPolarHBondContact O-CA 3.34Å; S81-M98 PolarHBondContact O-N 2.85Å; S81-M98 VanDerWaalsContact OG-CB 3.29Å; S81-M98 WeakPolarHBondContact OG-CB 3.41Å
82L95.8Very high94.8Very high39 Ų3946.5 Ų46.520%0.20426%0.256CS..EExtended strand (participates in β ladder)trans-140.2124.1175-175.3152000107.9L36 V39 L79 L84 Q96 M97L36-L82 HydrophobicContact CB-CD1 4.06Å; L36-L82 HydrophobicContact CD1-CD1 4.24Å; L36-L82 HydrophobicContact CD1-CD2 4.16Å; V39-L82 HydrophobicContact CG2-CB 3.69Å; L79-L82 HydrophobicContact CD2-CB 4.37Å; L79-L82 HydrophobicContact CD2-CD1 4.11Å; L82-L84 HydrophobicContact CD2-CD2 3.66Å; L82-L84 HydrophobicContact CD2-CG 4.18Å; L82-Q96 WeakPolarHBondContact CA-O 3.42Å; L82-M97 HydrophobicContact CD1-CE 4.02Å; L82-M97 HydrophobicContact CD1-CG 4.12Å; L82-M97 HydrophobicContact CD1-SD 4.38Å; L82-M97 HydrophobicContact CG-CG 4.25Å
83T96.1Very high94.8Very high61 Ų6143.5 Ų43.537%0.37424%0.236SC..EExtended strand (participates in β ladder)trans-124.6136.7175.351.20000110.2H85 A95 Q96T83-H85 PolarHBondContact O-CD2 3.35Å; T83-H85 PolarHBondContact OG1-NE2 3.23Å; T83-A95 WeakPolarHBondContact O-CA 3.4Å; T83-Q96 PolarHBondContact N-O 3.25Å; T83-Q96 PolarHBondContact O-N 3.1Å; T83-Q96 PolarHBondContact OG1-OE1 3.11Å
84L96.5Very high94.8Very high33 Ų3346.6 Ų46.617%0.17325%0.247CC..EExtended strand (participates in β ladder)trans-96136.2-178.9-59.5-177.8000109.2I21 S23 W26 L36 L82 A95I21-L84 HydrophobicContact CG2-CB 3.44Å; I21-L84 VanDerWaalsContact CG2-CB 3.44Å; I21-L84 WeakPolarHBondContact CG2-O 3.39Å; S23-L84 WeakPolarHBondContact OG-CD1 3.39Å; W26-L84 HydrophobicContact CB-CD1 4.15Å; W26-L84 HydrophobicContact CD2-CB 4.33Å; W26-L84 HydrophobicContact CD2-CD1 4.09Å; W26-L84 HydrophobicContact CD2-CD2 3.81Å; W26-L84 HydrophobicContact CD2-CG 4.29Å; W26-L84 HydrophobicContact CE3-CD1 4.32Å; W26-L84 HydrophobicContact CE3-CD2 3.96Å; W26-L84 HydrophobicContact CG-CB 4.09Å; W26-L84 HydrophobicContact CG-CD1 3.99Å; W26-L84 HydrophobicContact CG-CD2 4.41Å; W26-L84 HydrophobicContact CG-CG 4.38Å; W26-L84 HydrophobicContact CH2-CD2 4.31Å; W26-L84 HydrophobicContact CZ2-CD2 4.13Å; W26-L84 HydrophobicContact CZ3-CD2 4.21Å; L36-L84 HydrophobicContact CD1-CD2 3.53Å; L82-L84 HydrophobicContact CD2-CD2 3.66Å; L82-L84 HydrophobicContact CD2-CG 4.18Å; L84-A95 HydrophobicContact CD2-CB 4.06Å
85H96.2Very high94.8Very high54 Ų5443.8 Ų43.825%0.2524%0.235CC..EExtended strand (participates in β ladder)trans-135.9159.2-177.9-56.9-97.7000110.8W26 T83 V93 Y94 Q96W26-H85 PolarHBondContact NE1-O 3.47Å; T83-H85 PolarHBondContact O-CD2 3.35Å; T83-H85 PolarHBondContact OG1-NE2 3.23Å; H85-V93 WeakPolarHBondContact O-CA 3.29Å; H85-Y94 HydrophobicContact CB-CD1 4.09Å; H85-Y94 HydrophobicContact CB-CD2 3.89Å; H85-Y94 HydrophobicContact CB-CE1 3.67Å; H85-Y94 HydrophobicContact CB-CE2 3.45Å; H85-Y94 VanDerWaalsContact CB-CE2 3.45Å; H85-Y94 HydrophobicContact CB-CG 4.19Å; H85-Y94 AromaticContact CD2-CE2 3.75Å; H85-Y94 AromaticContact CG-CE2 3.62Å; H85-Y94 AromaticContact CG-CZ 3.83Å; H85-Y94 PolarHBondContact N-O 3.43Å; H85-Y94 PolarHBondContact O-N 3.02Å; H85-Q96 PolarHBondContact NE2-OE1 3.31Å
86A95.4Very high94.9Very high17 Ų1745.8 Ų45.814%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-138.2138.6164.500000108.4I21 E92 V93 L172I21-A86 HydrophobicContact CD1-CB 3.78Å; A86-E92 CarbonylContact C-O 3.52Å; A86-E92 VanDerWaalsContact CA-O 3.31Å; A86-E92 WeakPolarHBondContact CA-O 3.5Å; A86-V93 HydrophobicContact CB-CG1 4.19Å; A86-L172 HydrophobicContact CB-CB 4.07Å; A86-L172 HydrophobicContact CB-CD1 3.94Å
87D92.3Very high94.9Very high58 Ų5843.8 Ų43.831%0.3123%0.233SC..  trans-70.9139.7174.3172.3-101.4000111.7E89 T90 D91 E92 H173D87-E89 PolarHBondContact OD1-N 3.47Å; D87-T90 WeakPolarHBondContact CB-OG1 3.27Å; D87-T90 WeakPolarHBondContact OD1-CB 3.46Å; D87-T90 PolarHBondContact OD1-N 2.93Å; D87-T90 PolarHBondContact OD1-OG1 3.15Å; D87-D91 VanDerWaalsContact O-CA 3.27Å; D87-D91 WeakPolarHBondContact O-CA 3.33Å; D87-D91 PolarHBondContact O-N 3.09Å; D87-E92 PolarHBondContact N-O 3.1Å; D87-H173 PolarHBondContact O-CE1 2.94Å; D87-H173 VanDerWaalsContact O-CE1 3.27Å; D87-H173 PolarHBondContact O-NE2 2.76Å
88S90.4Very high95Very high101 Ų10146.7 Ų46.771%0.70625%0.248SC*.THydrogen-bonded Turntrans-84.7-9.7-169.8520000116
89E87.2Confident95Very high117 Ų11743.9 Ų43.955%0.54724%0.236SC..THydrogen-bonded Turntrans-102-32172.2-177.8167.4-164.500111.9D87 R204D87-E89 PolarHBondContact OD1-N 3.47Å; E89-R204 IonicContact OE1-CZ 2.67Å; E89-R204 IonicContact OE1-NH1 3.69Å; E89-R204 PolarHBondContact OE1-NH1 3.42Å; E89-R204 IonicContact OE1-NH2 2.67Å; E89-R204 PolarHBondContact OE1-NH2 2.83Å
90T90.2Very high95Very high46 Ų4646.9 Ų46.928%0.28225%0.249SC..THydrogen-bonded Turntrans-105.2-16.9-172.962.10000114.7D87 E92 R227D87-T90 WeakPolarHBondContact CB-OG1 3.27Å; D87-T90 WeakPolarHBondContact OD1-CB 3.46Å; D87-T90 PolarHBondContact OD1-N 2.93Å; D87-T90 PolarHBondContact OD1-OG1 3.15Å; T90-E92 PolarHBondContact O-N 3.33Å; T90-E92 PolarHBondContact OG1-N 3.21Å; T90-R227 PolarHBondContact O-NE 2.83Å; T90-R227 PolarHBondContact O-NH2 2.87Å; T90-R227 VanDerWaalsContact O-NH2 3.15Å
91D93.3Very high95.1Very high6 Ų644 Ų443%0.03224%0.235CC..  trans61.212.8-167.4-65.4-114.7000113.9D87 V93 H173 K203 I225D87-D91 VanDerWaalsContact O-CA 3.27Å; D87-D91 WeakPolarHBondContact O-CA 3.33Å; D87-D91 PolarHBondContact O-N 3.09Å; D91-V93 PolarHBondContact O-N 3.48Å; D91-H173 IonicContact OD1-CD2 2.75Å; D91-H173 IonicContact OD1-NE2 2.68Å; D91-K203 IonicContact OD1-NZ 3.14Å; D91-K203 PolarHBondContact OD1-NZ 3.35Å; D91-K203 WeakPolarHBondContact OD2-CD 3.39Å; D91-K203 IonicContact OD2-NZ 2.98Å; D91-K203 PolarHBondContact OD2-NZ 2.68Å; D91-I225 HydrophobicContact CB-CB 4.22Å; D91-I225 HydrophobicContact CB-CD1 4.26Å
92E92.2Very high95Very high83 Ų8343.4 Ų43.439%0.38823%0.229SC..  trans-68.5123178.4-78.2-163.1-160.400112.1A86 D87 T90 N268A86-E92 CarbonylContact C-O 3.52Å; A86-E92 VanDerWaalsContact CA-O 3.31Å; A86-E92 WeakPolarHBondContact CA-O 3.5Å; D87-E92 PolarHBondContact N-O 3.1Å; T90-E92 PolarHBondContact O-N 3.33Å; T90-E92 PolarHBondContact OG1-N 3.21Å; E92-N268 PolarHBondContact OE2-ND2 2.85Å
93V95.1Very high94.6Very high2 Ų248.2 Ų48.21%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-83134.7179.2-74.50000112.6W26 C29 A30 H85 A86 D91 L172W26-V93 HydrophobicContact CG-CG1 4.28Å; W26-V93 HydrophobicContact CZ2-CB 4.16Å; C29-V93 HydrophobicContact CB-CG1 3.76Å; C29-V93 HydrophobicContact CB-CG2 4.08Å; A30-V93 HydrophobicContact CB-CG2 4.23Å; H85-V93 WeakPolarHBondContact O-CA 3.29Å; A86-V93 HydrophobicContact CB-CG1 4.19Å; D91-V93 PolarHBondContact O-N 3.48Å; V93-L172 HydrophobicContact CG1-CD1 3.61Å; V93-L172 HydrophobicContact CG1-CD2 4.41Å
94Y95.6Very high94.2Very high74 Ų7454.2 Ų54.229%0.2928%0.276SS..EExtended strand (participates in β ladder)trans-145154.8171.965.3-85.7000111.7W26 H85 F266 Y267W26-Y94 PolarHBondContact NE1-O 3.38Å; H85-Y94 HydrophobicContact CB-CD1 4.09Å; H85-Y94 HydrophobicContact CB-CD2 3.89Å; H85-Y94 HydrophobicContact CB-CE1 3.67Å; H85-Y94 HydrophobicContact CB-CE2 3.45Å; H85-Y94 VanDerWaalsContact CB-CE2 3.45Å; H85-Y94 HydrophobicContact CB-CG 4.19Å; H85-Y94 AromaticContact CD2-CE2 3.75Å; H85-Y94 AromaticContact CG-CE2 3.62Å; H85-Y94 AromaticContact CG-CZ 3.83Å; H85-Y94 PolarHBondContact N-O 3.43Å; H85-Y94 PolarHBondContact O-N 3.02Å; Y94-F266 HydrophobicContact CD2-CD1 4.04Å; Y94-F266 HydrophobicContact CE2-CD1 4.06Å; Y94-F266 HydrophobicContact CE2-CE1 4.39Å; Y94-Y267 CarbonylContact C-O 3.57Å; Y94-Y267 VanDerWaalsContact CA-O 3.25Å; Y94-Y267 WeakPolarHBondContact CA-O 3.49Å; Y94-Y267 WeakPolarHBondContact CB-O 3.17Å
95A96.2Very high93.7Very high0 Ų059.5 Ų59.50%030%0.295CS..EExtended strand (participates in β ladder)trans-112.7130.5175.900000109.8W26 L36 T83 L84 M97 F266 Y267W26-A95 HydrophobicContact CH2-CB 4.16Å; W26-A95 HydrophobicContact CZ2-CB 4.01Å; L36-A95 HydrophobicContact CD1-CB 4.14Å; T83-A95 WeakPolarHBondContact O-CA 3.4Å; L84-A95 HydrophobicContact CD2-CB 4.06Å; A95-M97 HydrophobicContact CB-CE 4.27Å; A95-F266 CarbonylContact O-C 3.46Å; A95-F266 WeakPolarHBondContact O-CA 3.46Å; A95-Y267 PolarHBondContact N-O 3.42Å; A95-Y267 PolarHBondContact O-N 3.48Å
96Q97.4Very high93.1Very high56 Ų5659.8 Ų59.826%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-92.6130.6169.3177.1-171.9-4.900108.2L82 T83 H85 T264 F266L82-Q96 WeakPolarHBondContact CA-O 3.42Å; T83-Q96 PolarHBondContact N-O 3.25Å; T83-Q96 PolarHBondContact O-N 3.1Å; T83-Q96 PolarHBondContact OG1-OE1 3.11Å; H85-Q96 PolarHBondContact NE2-OE1 3.31Å; Q96-T264 HydrophobicContact CG-CG2 3.62Å; Q96-F266 HydrophobicContact CB-CD1 3.87Å; Q96-F266 HydrophobicContact CB-CE1 3.79Å; Q96-F266 HydrophobicContact CG-CD1 4.1Å; Q96-F266 HydrophobicContact CG-CE1 3.65Å; Q96-F266 HydrophobicContact CG-CZ 4.27Å
97M97.8Very high92.7Very high2 Ų267.8 Ų67.81%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-126.1136.3178.2-55.8-179.1-169.900110.3L36 L79 S81 L82 A95 T264 I265 Y267 V277L36-M97 HydrophobicContact CD2-CE 3.91Å; L79-M97 HydrophobicContact CD1-CB 3.86Å; L79-M97 HydrophobicContact CD1-CG 4.31Å; S81-M97 WeakPolarHBondContact O-CA 3.34Å; L82-M97 HydrophobicContact CD1-CE 4.02Å; L82-M97 HydrophobicContact CD1-CG 4.12Å; L82-M97 HydrophobicContact CD1-SD 4.38Å; L82-M97 HydrophobicContact CG-CG 4.25Å; A95-M97 HydrophobicContact CB-CE 4.27Å; M97-T264 WeakPolarHBondContact O-CA 3.29Å; M97-I265 HydrophobicContact CB-CD1 4.26Å; M97-I265 HydrophobicContact CB-CG1 3.85Å; M97-I265 PolarHBondContact N-O 3.42Å; M97-I265 PolarHBondContact O-N 3.44Å; M97-I265 HydrophobicContact SD-CD1 4.43Å; M97-Y267 HydrophobicContact CE-CD1 4.19Å; M97-Y267 HydrophobicContact CE-CG 4.49Å; M97-V277 HydrophobicContact SD-CB 4.29Å; M97-V277 HydrophobicContact SD-CG1 4.09Å; M97-V277 HydrophobicContact SD-CG2 4.17Å
98M98.5Very high92.6Very high62 Ų6270.6 Ų70.631%0.30534%0.339SS..EExtended strand (participates in β ladder)trans-102.6114.3169.1-171.6177.6-69.600109.5L80 S81 P262 F263L80-M98 HydrophobicContact CB-CB 4.38Å; L80-M98 HydrophobicContact CB-CG 4.3Å; L80-M98 HydrophobicContact CB-SD 4.46Å; L80-M98 HydrophobicContact CD1-CG 4.48Å; L80-M98 HydrophobicContact CD1-SD 4.34Å; L80-M98 PolarHBondContact N-O 3.1Å; S81-M98 PolarHBondContact O-N 2.85Å; S81-M98 VanDerWaalsContact OG-CB 3.29Å; S81-M98 WeakPolarHBondContact OG-CB 3.41Å; M98-P262 HydrophobicContact CG-CB 3.95Å; M98-P262 HydrophobicContact SD-CB 3.92Å; M98-F263 WeakPolarHBondContact CA-O 3.45Å
99L98.4Very high92.5Very high0 Ų065.9 Ų65.90%031%0.307CS..EExtended strand (participates in β ladder)trans-107.1139.8-179.1-62-175000110.2V43 Y45 C77 L79 P262 F263 I265 V277V43-L99 HydrophobicContact CG2-CD2 3.77Å; Y45-L99 HydrophobicContact CD2-CD1 3.97Å; Y45-L99 HydrophobicContact CG-CD1 4.11Å; C77-L99 HydrophobicContact CB-CB 4.02Å; C77-L99 HydrophobicContact CB-CD2 4.4Å; L79-L99 HydrophobicContact CB-CD2 4.33Å; L79-L99 HydrophobicContact CD1-CD2 3.72Å; L99-P262 CarbonylContact O-C 3.29Å; L99-P262 VanDerWaalsContact O-CA 3.32Å; L99-P262 WeakPolarHBondContact O-CA 3.35Å; L99-F263 HydrophobicContact CB-CD1 4.11Å; L99-F263 HydrophobicContact CB-CE1 3.63Å; L99-F263 HydrophobicContact CB-CZ 3.94Å; L99-F263 HydrophobicContact CD1-CZ 4.03Å; L99-F263 PolarHBondContact N-O 3.16Å; L99-F263 WeakPolarHBondContact O-CD1 3.27Å; L99-F263 PolarHBondContact O-N 2.78Å; L99-I265 HydrophobicContact CD1-CD1 3.58Å; L99-I265 HydrophobicContact CD1-CG1 4.29Å; L99-I265 HydrophobicContact CG-CD1 4.17Å; L99-I265 HydrophobicContact CG-CG1 4.45Å; L99-V277 HydrophobicContact CD1-CG1 4.43Å; L99-V277 HydrophobicContact CD1-CG2 4.49Å; L99-V277 HydrophobicContact CD2-CG1 4.37Å
100Q97.6Very high92.6Very high62 Ų6263.6 Ų63.629%0.2930%0.297SS..EExtended strand (participates in β ladder)trans-121.6118.9169.5-175179.113.600109.7C77 K78 L80 S260 P262C77-Q100 CarbonylContact C-O 3.54Å; C77-Q100 WeakPolarHBondContact CA-O 3.38Å; C77-Q100 WeakPolarHBondContact CB-O 3.39Å; K78-Q100 PolarHBondContact N-O 3.35Å; K78-Q100 PolarHBondContact O-N 3.33Å; L80-Q100 HydrophobicContact CD1-CB 3.86Å; L80-Q100 HydrophobicContact CD2-CB 4.31Å; L80-Q100 HydrophobicContact CG-CB 4Å; Q100-S260 VanDerWaalsContact CG-O 3.3Å; Q100-S260 WeakPolarHBondContact CG-O 3.19Å; Q100-S260 PolarHBondContact NE2-O 2.79Å; Q100-P262 HydrophobicContact CB-CG 4.45Å; Q100-P262 HydrophobicContact CG-CG 4.38Å
101P97.3Very high92.6Very high6 Ų665.9 Ų65.94%0.03931%0.307CS..EExtended strand (participates in β ladder)trans-60.6138174.3-2638.1000111.9L75 I76 A256 S261 F263L75-P101 HydrophobicContact CD1-CG 4.34Å; I76-P101 WeakPolarHBondContact O-CA 3.49Å; P101-A256 HydrophobicContact CG-CB 3.97Å; P101-S261 WeakPolarHBondContact CD-O 3.27Å; P101-F263 HydrophobicContact CG-CD1 4.42Å; P101-F263 HydrophobicContact CG-CE1 3.97Å
102V95.5Very high92.4Very high32 Ų3267 Ų6719%0.19432%0.317CS..  trans-133130-175.4-69.80000112.7L42 I76 K78L42-V102 HydrophobicContact CD2-CG2 3.78Å; I76-V102 HydrophobicContact CG2-CG2 4.29Å; I76-V102 PolarHBondContact O-N 2.87Å; K78-V102 HydrophobicContact CB-CG1 4.2Å
103N88.5Confident92.3Very high141 Ų14163 Ų6375%0.75430%0.299SS*.SBendtrans-95.3-2178.1-64.4-28.5000113.5
104K87.1Confident92Very high186 Ų18666.9 Ų66.981%0.80932%0.316SS*.SBendtrans-134.9137.7176.8-66.9-174.7178.9-177.60109.1
105Y85.3Confident91.5Very high144 Ų14468.7 Ų68.757%0.56533%0.33SS*.  trans-93.3112.4-177.8-47.9-51.9000110.8L42 I76L42-Y105 HydrophobicContact CD1-CD1 4.07Å; L42-Y105 HydrophobicContact CD1-CG 4.45Å; I76-Y105 HydrophobicContact CD1-CE1 3.86Å; I76-Y105 WeakPolarHBondContact CD1-OH 3.45Å; I76-Y105 HydrophobicContact CG2-CD1 4.49Å; I76-Y105 HydrophobicContact CG2-CE1 4Å
106D83.4Confident90.6Very high60 Ų6069 Ų6932%0.32133%0.333SS..  trans-66.8129.6166167.27.8000109.5K78 D108 A109 M110K78-D106 IonicContact NZ-OD2 3.03Å; K78-D106 PolarHBondContact NZ-OD2 2.91Å; D106-D108 VanDerWaalsContact C-N 3.33Å; D106-D108 PolarHBondContact O-N 2.95Å; D106-D108 PolarHBondContact OD1-N 3.35Å; D106-A109 HydrophobicContact CB-CB 3.82Å; D106-A109 PolarHBondContact O-N 3.23Å; D106-A109 PolarHBondContact OD1-N 2.9Å; D106-A109 WeakPolarHBondContact OD2-CB 3.42Å; D106-M110 WeakPolarHBondContact O-CB 3.44Å; D106-M110 PolarHBondContact O-N 3.25Å
107R88.3Confident89.7Confident185 Ų18570 Ų7070%0.69834%0.34SS*.Hα-helixtrans-64.2-38.2-178.4-74.7-68.9-168.6173.42.7111.6M110 L111R107-M110 WeakPolarHBondContact O-CB 3.39Å; R107-M110 PolarHBondContact O-N 2.87Å; R107-L111 WeakPolarHBondContact O-CG 3.44Å; R107-L111 PolarHBondContact O-N 2.94Å
108D88.5Confident88.4Confident117 Ų11778 Ų7863%0.62638%0.375SS*.Hα-helixtrans-74.9-38.7-177.3-60.7-24.2000110.1D106 M110 L111 A112D106-D108 VanDerWaalsContact C-N 3.33Å; D106-D108 PolarHBondContact O-N 2.95Å; D106-D108 PolarHBondContact OD1-N 3.35Å; D108-M110 VanDerWaalsContact C-N 3.26Å; D108-M110 PolarHBondContact O-N 2.88Å; D108-L111 PolarHBondContact O-N 3Å; D108-A112 VanDerWaalsContact O-CB 3.3Å; D108-A112 WeakPolarHBondContact O-CB 3.46Å; D108-A112 PolarHBondContact O-N 2.84Å
109A89.5Confident87Confident3 Ų379.5 Ų79.53%0.02538%0.381CS..Hα-helixtrans-64.8-29.1171.800000113.1G40 S41 L42 K78 D106 S113G40-A109 WeakPolarHBondContact O-CA 3.14Å; G40-A109 WeakPolarHBondContact O-CB 3.31Å; S41-A109 WeakPolarHBondContact CA-O 3.36Å; L42-A109 HydrophobicContact CD1-CB 4.47Å; L42-A109 HydrophobicContact CD2-CB 4.07Å; L42-A109 HydrophobicContact CG-CB 3.77Å; L42-A109 PolarHBondContact N-O 2.93Å; K78-A109 HydrophobicContact CD-CB 4.17Å; K78-A109 HydrophobicContact CG-CB 4.48Å; D106-A109 HydrophobicContact CB-CB 3.82Å; D106-A109 PolarHBondContact O-N 3.23Å; D106-A109 PolarHBondContact OD1-N 2.9Å; D106-A109 WeakPolarHBondContact OD2-CB 3.42Å; A109-S113 PolarHBondContact O-N 2.9Å
110M89.1Confident85.5Confident69 Ų6985.6 Ų85.634%0.3441%0.414SS..Hα-helixtrans-72.3-47.2172.5-169.5-175.974.100111.3L42 D106 R107 D108 A112 S113 E114L42-M110 HydrophobicContact CD1-CB 4.17Å; D106-M110 WeakPolarHBondContact O-CB 3.44Å; D106-M110 PolarHBondContact O-N 3.25Å; R107-M110 WeakPolarHBondContact O-CB 3.39Å; R107-M110 PolarHBondContact O-N 2.87Å; D108-M110 VanDerWaalsContact C-N 3.26Å; D108-M110 PolarHBondContact O-N 2.88Å; M110-A112 VanDerWaalsContact C-N 3.33Å; M110-A112 PolarHBondContact O-N 3.49Å; M110-S113 WeakPolarHBondContact O-CA 3.39Å; M110-S113 WeakPolarHBondContact O-CB 3.02Å; M110-S113 PolarHBondContact O-N 3.11Å; M110-E114 PolarHBondContact O-N 2.82Å
111L89.6Confident84.6Confident94 Ų9487.6 Ų87.649%0.49242%0.422SS..Hα-helixtrans-62.7-38.2175.8-71.1170.6000112.1R107 D108 S113 E114 L115R107-L111 WeakPolarHBondContact O-CG 3.44Å; R107-L111 PolarHBondContact O-N 2.94Å; D108-L111 PolarHBondContact O-N 3Å; L111-S113 PolarHBondContact O-N 2.82Å; L111-E114 PolarHBondContact O-N 3.4Å; L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L115 PolarHBondContact O-N 2.88Å
112A90Very high84Confident29 Ų2988.8 Ų88.824%0.2443%0.426CS..Hα-helixtrans-62.6-30.9172.600000112.7P38 D108 M110 G116P38-A112 WeakPolarHBondContact CG-O 3.38Å; D108-A112 VanDerWaalsContact O-CB 3.3Å; D108-A112 WeakPolarHBondContact O-CB 3.46Å; D108-A112 PolarHBondContact O-N 2.84Å; M110-A112 VanDerWaalsContact C-N 3.33Å; M110-A112 PolarHBondContact O-N 3.49Å; A112-G116 PolarHBondContact O-N 3.13Å
113S89.8Confident83.3Confident0 Ų087.6 Ų87.60%042%0.419CS..Hα-helixtrans-68.8-37.4174-159.20000112L42 A109 M110 L111 L280 A281L42-S113 WeakPolarHBondContact O-CB 3.36Å; L42-S113 PolarHBondContact O-OG 3.41Å; A109-S113 PolarHBondContact O-N 2.9Å; M110-S113 WeakPolarHBondContact O-CA 3.39Å; M110-S113 WeakPolarHBondContact O-CB 3.02Å; M110-S113 PolarHBondContact O-N 3.11Å; L111-S113 PolarHBondContact O-N 2.82Å; S113-L280 PolarHBondContact OG-N 2.93Å; S113-A281 PolarHBondContact OG-N 3.08Å
114E89Confident82.9Confident83 Ų8386.8 Ų86.839%0.38842%0.42SS..Hα-helixtrans-76.1-45.4177.6-173.8169.1-168.100112.2M110 L111 G116 L117 A281M110-E114 PolarHBondContact O-N 2.82Å; L111-E114 PolarHBondContact O-N 3.4Å; E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 2.98Å; E114-L117 WeakPolarHBondContact O-CB 3.02Å; E114-L117 WeakPolarHBondContact O-CG 3.37Å; E114-L117 PolarHBondContact O-N 3.43Å; E114-A281 HydrophobicContact CB-CB 4.15Å
115L85.3Confident83Confident111 Ų11181.4 Ų81.458%0.58140%0.397SS*.Hα-helixtrans-62.6-36.2175.9-176.961.2000112L111 L117 K118L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L115 PolarHBondContact O-N 2.88Å; L115-L117 PolarHBondContact O-N 2.94Å; L115-K118 PolarHBondContact O-N 3.18Å; L115-K118 VanDerWaalsContact O-N 3.15Å
116G77.5Confident83.2Confident6 Ų677.5 Ų77.56%0.06238%0.384CS..Hα-helixtrans-57-28.5175.400000114.1A112 E114 K118 Q119A112-G116 PolarHBondContact O-N 3.13Å; E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 2.98Å; G116-K118 PolarHBondContact O-N 3.45Å; G116-K118 VanDerWaalsContact O-N 3.13Å; G116-Q119 PolarHBondContact O-N 3.13Å; G116-Q119 VanDerWaalsContact O-N 3.12Å
117L78.3Confident83.7Confident78 Ų7875.4 Ų75.441%0.40837%0.372SS..THydrogen-bonded Turntrans-65-16.3179.2-55.2-172.1000113.8E114 L115 P279 A281 K282E114-L117 WeakPolarHBondContact O-CB 3.02Å; E114-L117 WeakPolarHBondContact O-CG 3.37Å; E114-L117 PolarHBondContact O-N 3.43Å; L115-L117 PolarHBondContact O-N 2.94Å; L117-P279 HydrophobicContact CD2-CB 3.83Å; L117-P279 HydrophobicContact CD2-CG 4.18Å; L117-A281 HydrophobicContact CD1-CB 3.75Å; L117-A281 HydrophobicContact CD2-CB 4.5Å; L117-A281 HydrophobicContact CG-CB 4.2Å; L117-K282 HydrophobicContact CD2-CB 3.85Å
118K69.9Low84Confident169 Ų16967.2 Ų67.274%0.73534%0.343SS*.THydrogen-bonded Turntrans-96.6-9.7177.6-62.3-169.6176.7-171.10113.6L115 G116 N120L115-K118 PolarHBondContact O-N 3.18Å; L115-K118 VanDerWaalsContact O-N 3.15Å; G116-K118 PolarHBondContact O-N 3.45Å; G116-K118 VanDerWaalsContact O-N 3.13Å; K118-N120 PolarHBondContact O-N 2.59Å; K118-N120 VanDerWaalsContact O-N 3.13Å
119Q68.5Low84.3Confident95 Ų9563.2 Ų63.244%0.44432%0.32SS..  trans-8782.3-174.3-65.6-171.8-3.900111.6G116G116-Q119 PolarHBondContact O-N 3.13Å; G116-Q119 VanDerWaalsContact O-N 3.12Å
120N67.1Low84.6Confident127 Ų12764.5 Ų64.568%0.67933%0.327SS*.  trans-78.5133.5167.2-166.4-4.1000110.3K118 Q122K118-N120 PolarHBondContact O-N 2.59Å; K118-N120 VanDerWaalsContact O-N 3.13Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.19Å; N120-Q122 VanDerWaalsContact OD1-CG 3.27Å; N120-Q122 WeakPolarHBondContact OD1-CG 3.49Å; N120-Q122 PolarHBondContact OD1-N 2.84Å
121K78.8Confident84.9Confident105 Ų10561.4 Ų61.446%0.45731%0.312SS..  trans-120.312179.2-68.6-172.6172.4-171.80113.5
122Q84.3Confident85.2Confident30 Ų3059.9 Ų59.914%0.1431%0.307CS..SBendtrans-70.7135.1169.8-60.9-66-21.700109.2H27 G31 V34 N120H27-Q122 PolarHBondContact O-NE2 2.94Å; H27-Q122 PolarHBondContact O-OE1 3.16Å; G31-Q122 PolarHBondContact O-NE2 3.43Å; V34-Q122 PolarHBondContact O-NE2 3.02Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.19Å; N120-Q122 VanDerWaalsContact OD1-CG 3.27Å; N120-Q122 WeakPolarHBondContact OD1-CG 3.49Å; N120-Q122 PolarHBondContact OD1-N 2.84Å
123P81.9Confident85.4Confident7 Ų762 Ų625%0.04532%0.324CS..  trans-65.6146179.825.6-33.2000111.9E24 A28 E125 F126 I214E24-P123 HydrophobicContact CB-CB 4.38Å; A28-P123 HydrophobicContact CB-CG 3.98Å; P123-E125 VanDerWaalsContact C-N 3.31Å; P123-F126 HydrophobicContact CG-CB 4.18Å; P123-F126 HydrophobicContact CG-CD1 3.96Å; P123-F126 HydrophobicContact CG-CG 4.29Å; P123-F126 WeakPolarHBondContact O-CD1 3.45Å; P123-I214 HydrophobicContact CB-CB 4.43Å; P123-I214 HydrophobicContact CB-CD1 4.02Å; P123-I214 HydrophobicContact CG-CB 4.25Å; P123-I214 HydrophobicContact CG-CD1 3.94Å; P123-I214 HydrophobicContact CG-CG2 4.15Å
124T80.5Confident85.7Confident124 Ų12465.2 Ų65.276%0.76135%0.347SS*.SBendtrans-74.6-23.9174.751.30000112.7K151T124-K151 PolarHBondContact O-NZ 3Å
125E87.6Confident86.1Confident73 Ų7361.3 Ų61.334%0.34133%0.329SS..SBendtrans-125.892.1-175.6-64.5-150.414000111P123 I152 I214 R215P123-E125 VanDerWaalsContact C-N 3.31Å; E125-I152 VanDerWaalsContact C-CD1 3.42Å; E125-I152 HydrophobicContact CB-CD1 3.69Å; E125-I214 CarbonylContact O-C 3.55Å; E125-I214 VanDerWaalsContact O-CA 3.29Å; E125-I214 WeakPolarHBondContact O-CA 3.4Å; E125-R215 HydrophobicContact CB-CB 4.07Å; E125-R215 HydrophobicContact CB-CG 4.48Å; E125-R215 PolarHBondContact O-N 2.93Å
126F91.4Very high86.6Confident62 Ų6257.7 Ų57.727%0.27231%0.311SS..EExtended strand (participates in β ladder)trans-142.2166.6168.971.6-77.9000112.6P123 F213 I214P123-F126 HydrophobicContact CG-CB 4.18Å; P123-F126 HydrophobicContact CG-CD1 3.96Å; P123-F126 HydrophobicContact CG-CG 4.29Å; P123-F126 WeakPolarHBondContact O-CD1 3.45Å; F126-F213 CarbonylContact C-O 3.55Å; F126-F213 VanDerWaalsContact CA-O 3.26Å; F126-F213 WeakPolarHBondContact CA-O 3.3Å; F126-I214 HydrophobicContact CB-CB 3.98Å; F126-I214 HydrophobicContact CB-CG2 3.55Å
127F93.4Very high87.4Confident16 Ų1659.5 Ų59.57%0.0732%0.323CS..EExtended strand (participates in β ladder)trans-132.8154.2151.572.5-97000110.2F142 V144 A148 I152 F153 L212 F213F127-F142 AromaticContact CE2-CE1 3.97Å; F127-F142 HydrophobicContact CE2-CE1 3.97Å; F127-F142 AromaticContact CE2-CZ 4Å; F127-F142 HydrophobicContact CE2-CZ 4Å; F127-F142 HydrophobicContact CZ-CE1 4.15Å; F127-V144 HydrophobicContact CE1-CG1 4.27Å; F127-V144 HydrophobicContact CE2-CG1 4.44Å; F127-V144 HydrophobicContact CZ-CG1 3.86Å; F127-A148 HydrophobicContact CB-CB 3.67Å; F127-A148 HydrophobicContact CD1-CB 3.57Å; F127-A148 HydrophobicContact CD2-CB 4.11Å; F127-A148 HydrophobicContact CE1-CB 4.12Å; F127-A148 HydrophobicContact CG-CB 3.54Å; F127-I152 HydrophobicContact CD1-CB 4.05Å; F127-I152 HydrophobicContact CD1-CG1 3.84Å; F127-I152 HydrophobicContact CD1-CG2 4.38Å; F127-I152 HydrophobicContact CE1-CB 4.28Å; F127-I152 HydrophobicContact CE1-CG2 4.43Å; F127-F153 HydrophobicContact CE1-CE1 4.02Å; F127-F153 HydrophobicContact CE1-CE2 4.49Å; F127-F153 AromaticContact CE1-CZ 3.84Å; F127-F153 HydrophobicContact CE1-CZ 3.84Å; F127-F153 HydrophobicContact CZ-CE1 4.43Å; F127-F153 AromaticContact CZ-CZ 3.87Å; F127-F153 HydrophobicContact CZ-CZ 3.87Å; F127-L212 VanDerWaalsContact O-CA 3.28Å; F127-L212 WeakPolarHBondContact O-CA 3.43Å; F127-F213 HydrophobicContact CD1-CB 4.14Å; F127-F213 HydrophobicContact CE1-CB 3.64Å; F127-F213 AromaticContact CE1-CD2 3.99Å; F127-F213 HydrophobicContact CE1-CD2 3.99Å; F127-F213 HydrophobicContact CE1-CG 4.1Å; F127-F213 AromaticContact CE2-CD2 3.81Å; F127-F213 HydrophobicContact CE2-CD2 3.81Å; F127-F213 HydrophobicContact CZ-CB 3.9Å; F127-F213 AromaticContact CZ-CD2 3.33Å; F127-F213 HydrophobicContact CZ-CD2 3.33Å; F127-F213 HydrophobicContact CZ-CE2 4.11Å; F127-F213 AromaticContact CZ-CG 3.9Å; F127-F213 HydrophobicContact CZ-CG 3.9Å; F127-F213 PolarHBondContact N-O 2.88Å; F127-F213 PolarHBondContact O-N 2.83Å; F127-F213 VanDerWaalsContact O-N 3.09Å
128C94.3Very high87.8Confident14 Ų1461.2 Ų61.210%0.09534%0.336CS..EExtended strand (participates in β ladder)trans-116.8150.3162.5-173.40000109.1V211 L212 S306C128-V211 WeakPolarHBondContact CA-O 3.14Å; C128-L212 HydrophobicContact CB-CD2 3.9Å; C128-L212 HydrophobicContact CB-CG 3.79Å; C128-S306 WeakPolarHBondContact CB-OG 3.16Å; C128-S306 PolarHBondContact SG-OG 2.85Å
129K94.7Very high88.2Confident33 Ų3362 Ų6214%0.14334%0.342CS..EExtended strand (participates in β ladder)trans-145.5127166.2166.5161.6168.5-88.70111D135 F142 S143 P145 S210 V211K129-D135 IonicContact NZ-OD1 3.91Å; K129-D135 PolarHBondContact NZ-OD1 3.03Å; K129-D135 IonicContact NZ-OD2 3.87Å; K129-D135 PolarHBondContact NZ-OD2 2.86Å; K129-F142 HydrophobicContact CB-CE2 4.3Å; K129-F142 HydrophobicContact CB-CZ 3.98Å; K129-F142 HydrophobicContact CD-CE2 4.05Å; K129-F142 HydrophobicContact CD-CZ 4Å; K129-F142 HydrophobicContact CG-CE2 4.05Å; K129-F142 HydrophobicContact CG-CZ 4.13Å; K129-F142 VanDerWaalsContact NZ-CE2 3.33Å; K129-S143 WeakPolarHBondContact CD-O 3.02Å; K129-S143 VanDerWaalsContact CE-O 3.24Å; K129-S143 WeakPolarHBondContact CE-O 3.26Å; K129-S143 PolarHBondContact NZ-O 3.29Å; K129-P145 HydrophobicContact CD-CG 3.95Å; K129-S210 WeakPolarHBondContact O-CA 3.29Å; K129-V211 PolarHBondContact N-O 2.91Å; K129-V211 PolarHBondContact O-N 3.19Å
130T95.2Very high88.5Confident29 Ų2958.8 Ų58.818%0.17834%0.335CS..EExtended strand (participates in β ladder)trans-62.3132.1164.8-50.40000110.4S210 E304T130-S210 WeakPolarHBondContact CA-OG 3.21Å; T130-S210 PolarHBondContact OG1-OG 2.93Å; T130-E304 PolarHBondContact OG1-O 2.9Å
131L95.8Very high89.7Confident4 Ų453.4 Ų53.42%0.02131%0.31CS..PPolyproline II helixtrans-77.9125.6-175.6-61.2-171.9000110.5D135 T136 F142 W196 L205 A207 G208 D209 V211L131-D135 HydrophobicContact CB-CB 4.37Å; L131-D135 HydrophobicContact CD2-CB 4.21Å; L131-T136 HydrophobicContact CB-CG2 4.09Å; L131-T136 HydrophobicContact CD1-CG2 3.88Å; L131-F142 HydrophobicContact CD2-CD2 3.79Å; L131-F142 HydrophobicContact CD2-CE2 3.6Å; L131-W196 HydrophobicContact CD1-CH2 4.36Å; L131-W196 HydrophobicContact CD1-CZ2 4.24Å; L131-W196 HydrophobicContact CD2-CH2 3.88Å; L131-W196 HydrophobicContact CD2-CZ2 3.92Å; L131-L205 HydrophobicContact CD1-CB 3.91Å; L131-L205 HydrophobicContact CD1-CD1 4.13Å; L131-A207 CarbonylContact O-C 3.42Å; L131-A207 VanDerWaalsContact O-CA 3.31Å; L131-A207 WeakPolarHBondContact O-CA 3.41Å; L131-G208 PolarHBondContact O-N 2.65Å; L131-D209 WeakPolarHBondContact CB-O 3.43Å; L131-D209 WeakPolarHBondContact CG-O 3.38Å; L131-D209 PolarHBondContact N-O 2.9Å; L131-V211 HydrophobicContact CD1-CG2 3.95Å; L131-V211 HydrophobicContact CD2-CB 4.22Å; L131-V211 HydrophobicContact CD2-CG2 3.94Å; L131-V211 HydrophobicContact CG-CG2 4.11Å
132T95.2Very high90.6Very high63 Ų6348.4 Ų48.439%0.38729%0.288SS..PPolyproline II helixtrans-79.8162.4170.667.60000110.7S134 D135 T136T132-S134 PolarHBondContact O-N 3.48Å; T132-S134 PolarHBondContact OG1-OG 3.5Å; T132-D135 WeakPolarHBondContact CB-OD2 3.41Å; T132-D135 PolarHBondContact N-OD2 3.12Å; T132-D135 WeakPolarHBondContact O-CB 3.49Å; T132-D135 PolarHBondContact O-N 2.6Å; T132-D135 VanDerWaalsContact OG1-CG 3.22Å; T132-D135 PolarHBondContact OG1-N 3.48Å; T132-D135 PolarHBondContact OG1-OD2 2.87Å; T132-T136 PolarHBondContact O-N 3.5Å; T132-T136 PolarHBondContact O-OG1 3.31Å
133A95.8Very high91.1Very high72 Ų7249.2 Ų49.260%0.59530%0.297SS*.THydrogen-bonded Turntrans-57.4-30.2176.200000113.4T136 S137 A207A133-T136 PolarHBondContact O-OG1 3.12Å; A133-S137 PolarHBondContact O-N 3.12Å; A133-A207 HydrophobicContact CB-CB 4.43Å
134S95.5Very high91.9Very high69 Ų6949.3 Ų49.348%0.48330%0.297SS..THydrogen-bonded Turntrans-75.3-35.5174.844.80000112.7T132 T136 S137T132-S134 PolarHBondContact O-N 3.48Å; T132-S134 PolarHBondContact OG1-OG 3.5Å; S134-T136 VanDerWaalsContact C-N 3.32Å; S134-T136 PolarHBondContact O-N 3.44Å; S134-S137 PolarHBondContact O-N 3.24Å; S134-S137 PolarHBondContact O-OG 3.39Å
135D97Very high92.5Very high1 Ų146 Ų461%0.00528%0.278CS..THydrogen-bonded Turntrans-60.6-41.6172.1-60.9-65.2000111K129 L131 T132 S137 F142 S143 W196K129-D135 IonicContact NZ-OD1 3.91Å; K129-D135 PolarHBondContact NZ-OD1 3.03Å; K129-D135 IonicContact NZ-OD2 3.87Å; K129-D135 PolarHBondContact NZ-OD2 2.86Å; L131-D135 HydrophobicContact CB-CB 4.37Å; L131-D135 HydrophobicContact CD2-CB 4.21Å; T132-D135 WeakPolarHBondContact CB-OD2 3.41Å; T132-D135 PolarHBondContact N-OD2 3.12Å; T132-D135 WeakPolarHBondContact O-CB 3.49Å; T132-D135 PolarHBondContact O-N 2.6Å; T132-D135 VanDerWaalsContact OG1-CG 3.22Å; T132-D135 PolarHBondContact OG1-N 3.48Å; T132-D135 PolarHBondContact OG1-OD2 2.87Å; D135-S137 VanDerWaalsContact C-N 3.3Å; D135-S137 PolarHBondContact O-N 3.17Å; D135-F142 HydrophobicContact CB-CD2 4.31Å; D135-F142 VanDerWaalsContact OD1-CA 3.3Å; D135-F142 WeakPolarHBondContact OD1-CA 3.19Å; D135-S143 PolarHBondContact OD1-N 2.86Å; D135-W196 HydrophobicContact CB-CZ2 4.46Å; D135-W196 PolarHBondContact O-NE1 3.32Å
136T96.1Very high92.9Very high35 Ų3550 Ų5022%0.21529%0.29CS..THydrogen-bonded Turntrans-81.8-1.317852.40000114.8L131 T132 A133 S134 V200L131-T136 HydrophobicContact CB-CG2 4.09Å; L131-T136 HydrophobicContact CD1-CG2 3.88Å; T132-T136 PolarHBondContact O-N 3.5Å; T132-T136 PolarHBondContact O-OG1 3.31Å; A133-T136 PolarHBondContact O-OG1 3.12Å; S134-T136 VanDerWaalsContact C-N 3.32Å; S134-T136 PolarHBondContact O-N 3.44Å; T136-V200 HydrophobicContact CG2-CG1 4.4Å
137S93.2Very high92.9Very high43 Ų4350.9 Ų50.930%0.30129%0.291SS..SBendtrans-79.1141.6-178.373.50000112.2A133 S134 D135 H139 G140A133-S137 PolarHBondContact O-N 3.12Å; S134-S137 PolarHBondContact O-N 3.24Å; S134-S137 PolarHBondContact O-OG 3.39Å; D135-S137 VanDerWaalsContact C-N 3.3Å; D135-S137 PolarHBondContact O-N 3.17Å; S137-H139 PolarHBondContact O-N 3.12Å; S137-H139 VanDerWaalsContact O-N 3.16Å; S137-G140 PolarHBondContact O-N 2.8Å; S137-G140 WeakPolarHBondContact OG-CA 3.41Å; S137-G140 PolarHBondContact OG-N 3.5Å; S137-G140 VanDerWaalsContact OG-N 3.14Å
138T87.2Confident92.9Very high114 Ų11450.8 Ų50.870%0.69929%0.294SS*.THydrogen-bonded Turntrans-61-24.9-178.848.20000114.4
139H78Confident92.9Very high185 Ų18550.2 Ų50.286%0.85629%0.29SS*.THydrogen-bonded Turntrans-99.1-7.1177.7-56-66.2000113S137S137-H139 PolarHBondContact O-N 3.12Å; S137-H139 VanDerWaalsContact O-N 3.16Å
140G75.3Confident92.8Very high29 Ų2953.2 Ų53.230%0.29931%0.305SS..  trans-87178.6178.300000113.3S137S137-G140 PolarHBondContact O-N 2.8Å; S137-G140 WeakPolarHBondContact OG-CA 3.41Å; S137-G140 PolarHBondContact OG-N 3.5Å; S137-G140 VanDerWaalsContact OG-N 3.14Å
141G91.8Very high92.7Very high14 Ų1457 Ų5714%0.14432%0.319CS..  trans-140.3158167.300000108.5S143 L192G141-S143 PolarHBondContact O-N 3Å; G141-L192 CarbonylContact C-O 3.54Å; G141-L192 WeakPolarHBondContact CA-O 3.39Å
142F97.5Very high92.6Very high0 Ų056.9 Ų56.90%032%0.318CS..EExtended strand (participates in β ladder)trans-63.6120178-178.7-111.5000110.4F127 K129 L131 D135 V144 L191 L192 W196 F213F127-F142 AromaticContact CE2-CE1 3.97Å; F127-F142 HydrophobicContact CE2-CE1 3.97Å; F127-F142 AromaticContact CE2-CZ 4Å; F127-F142 HydrophobicContact CE2-CZ 4Å; F127-F142 HydrophobicContact CZ-CE1 4.15Å; K129-F142 HydrophobicContact CB-CE2 4.3Å; K129-F142 HydrophobicContact CB-CZ 3.98Å; K129-F142 HydrophobicContact CD-CE2 4.05Å; K129-F142 HydrophobicContact CD-CZ 4Å; K129-F142 HydrophobicContact CG-CE2 4.05Å; K129-F142 HydrophobicContact CG-CZ 4.13Å; K129-F142 VanDerWaalsContact NZ-CE2 3.33Å; L131-F142 HydrophobicContact CD2-CD2 3.79Å; L131-F142 HydrophobicContact CD2-CE2 3.6Å; D135-F142 HydrophobicContact CB-CD2 4.31Å; D135-F142 VanDerWaalsContact OD1-CA 3.3Å; D135-F142 WeakPolarHBondContact OD1-CA 3.19Å; F142-V144 HydrophobicContact CD1-CB 4.47Å; F142-V144 HydrophobicContact CD1-CG2 3.71Å; F142-V144 HydrophobicContact CE1-CB 4.31Å; F142-V144 HydrophobicContact CE1-CG1 4.36Å; F142-V144 HydrophobicContact CE1-CG2 3.96Å; F142-V144 PolarHBondContact O-N 2.9Å; F142-L191 CarbonylContact O-C 3.56Å; F142-L191 VanDerWaalsContact O-CA 3.29Å; F142-L191 WeakPolarHBondContact O-CA 3.24Å; F142-L192 HydrophobicContact CB-CB 4.09Å; F142-L192 HydrophobicContact CB-CD1 4.5Å; F142-L192 HydrophobicContact CB-CG 4.39Å; F142-L192 HydrophobicContact CD1-CD1 3.93Å; F142-L192 HydrophobicContact CD1-CG 4.08Å; F142-L192 PolarHBondContact N-O 2.84Å; F142-L192 PolarHBondContact O-N 2.92Å; F142-W196 HydrophobicContact CB-CD2 3.57Å; F142-W196 HydrophobicContact CB-CE3 3.86Å; F142-W196 HydrophobicContact CB-CG 4.03Å; F142-W196 HydrophobicContact CB-CH2 4.14Å; F142-W196 HydrophobicContact CB-CZ2 3.88Å; F142-W196 HydrophobicContact CB-CZ3 4.13Å; F142-W196 AromaticContact CD2-CH2 3.74Å; F142-W196 HydrophobicContact CD2-CH2 3.74Å; F142-W196 AromaticContact CD2-CZ2 3.78Å; F142-W196 HydrophobicContact CD2-CZ2 3.78Å; F142-W196 HydrophobicContact CD2-CZ3 4.3Å; F142-W196 HydrophobicContact CE2-CH2 4.39Å; F142-W196 HydrophobicContact CG-CD2 4.49Å; F142-W196 HydrophobicContact CG-CE3 4.43Å; F142-W196 HydrophobicContact CG-CH2 4.1Å; F142-W196 HydrophobicContact CG-CZ2 4.18Å; F142-W196 HydrophobicContact CG-CZ3 4.23Å; F142-F213 HydrophobicContact CE1-CE2 4.35Å
143S96.8Very high92.7Very high46 Ų4654.1 Ų54.132%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-82.1111.6172.3-62.40000109.3K129 D135 G141K129-S143 WeakPolarHBondContact CD-O 3.02Å; K129-S143 VanDerWaalsContact CE-O 3.24Å; K129-S143 WeakPolarHBondContact CE-O 3.26Å; K129-S143 PolarHBondContact NZ-O 3.29Å; D135-S143 PolarHBondContact OD1-N 2.86Å; G141-S143 PolarHBondContact O-N 3Å
144V96.9Very high92.7Very high10 Ų1053.1 Ų53.16%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-85.4132.7-179-163.50000108.7F127 F142 A149 F153 H190 L192F127-V144 HydrophobicContact CE1-CG1 4.27Å; F127-V144 HydrophobicContact CE2-CG1 4.44Å; F127-V144 HydrophobicContact CZ-CG1 3.86Å; F142-V144 HydrophobicContact CD1-CB 4.47Å; F142-V144 HydrophobicContact CD1-CG2 3.71Å; F142-V144 HydrophobicContact CE1-CB 4.31Å; F142-V144 HydrophobicContact CE1-CG1 4.36Å; F142-V144 HydrophobicContact CE1-CG2 3.96Å; F142-V144 PolarHBondContact O-N 2.9Å; V144-A149 HydrophobicContact CB-CB 4.23Å; V144-A149 HydrophobicContact CG1-CB 3.76Å; V144-F153 HydrophobicContact CG1-CE2 3.81Å; V144-F153 HydrophobicContact CG1-CZ 4.42Å; V144-F153 HydrophobicContact CG2-CE2 3.95Å; V144-H190 HydrophobicContact CB-CB 3.84Å; V144-H190 HydrophobicContact CG2-CB 4.23Å; V144-H190 PolarHBondContact N-O 2.93Å; V144-L192 HydrophobicContact CG2-CD2 4.34Å; V144-L192 HydrophobicContact CG2-CG 4.05Å
145P94.6Very high92.7Very high55 Ų5555.9 Ų55.936%0.35731%0.305SS..  trans-59.3145.1170.2-19.431.7000110.5K129 A148 A149K129-P145 HydrophobicContact CD-CG 3.95Å; P145-A148 HydrophobicContact CB-CB 3.91Å; P145-A148 HydrophobicContact CG-CB 4.23Å; P145-A148 WeakPolarHBondContact O-CB 3.42Å; P145-A148 PolarHBondContact O-N 3.12Å; P145-A149 PolarHBondContact O-N 3.49Å
146R94.4Very high92.7Very high155 Ų15556.6 Ų56.659%0.58531%0.308SS*.Hα-helixtrans-62.4-56.6-171.2-176.2179.2175.2-167.1-8.6112.4A148 A149 E150R146-A148 PolarHBondContact O-N 2.75Å; R146-A149 PolarHBondContact O-N 2.76Å; R146-E150 HydrophobicContact CG-CG 4.47Å; R146-E150 WeakPolarHBondContact CG-OE2 3.46Å; R146-E150 IonicContact CZ-OE1 2.68Å; R146-E150 VanDerWaalsContact CZ-OE1 3.25Å; R146-E150 IonicContact NE-OE1 3.18Å; R146-E150 PolarHBondContact NE-OE1 3.46Å; R146-E150 IonicContact NE-OE2 2.65Å; R146-E150 PolarHBondContact NE-OE2 2.99Å; R146-E150 IonicContact NH2-OE1 2.66Å; R146-E150 PolarHBondContact NH2-OE1 2.9Å; R146-E150 IonicContact NH2-OE2 3.25Å; R146-E150 PolarHBondContact O-N 2.89Å
147R91.6Very high92.7Very high81 Ų8158.9 Ų58.931%0.30632%0.319SS..Hα-helixtrans-54.5-37.9178.5-47.2-175.2-152.6-169.94.2111.7K151 D993 E995 D997R147-K151 VanDerWaalsContact O-CB 3.31Å; R147-K151 WeakPolarHBondContact O-CB 3.29Å; R147-K151 PolarHBondContact O-N 2.98Å; R147-D993 IonicContact CZ-OD2 3.94Å; R147-D993 IonicContact NH1-OD1 3.32Å; R147-D993 IonicContact NH1-OD2 2.8Å; R147-D993 IonicContact NH2-OD2 2.96Å; R147-D993 PolarHBondContact NH2-OD2 2.9Å; R147-E995 IonicContact CZ-OE2 3.58Å; R147-E995 IonicContact NE-OE2 2.78Å; R147-E995 PolarHBondContact NE-OE2 3.14Å; R147-E995 IonicContact NH1-OE2 3.25Å; R147-E995 IonicContact NH2-OE2 2.72Å; R147-E995 PolarHBondContact NH2-OE2 3.25Å; R147-D997 WeakPolarHBondContact CD-OD1 3.2Å; R147-D997 IonicContact CZ-OD1 3.6Å; R147-D997 IonicContact CZ-OD2 2.89Å; R147-D997 VanDerWaalsContact CZ-OD2 3.25Å; R147-D997 IonicContact NE-OD1 2.79Å; R147-D997 IonicContact NE-OD2 3.86Å; R147-D997 PolarHBondContact NE-OD2 3.32Å; R147-D997 IonicContact NH1-OD1 2.9Å; R147-D997 PolarHBondContact NH1-OD1 2.92Å; R147-D997 IonicContact NH1-OD2 2.7Å; R147-D997 PolarHBondContact NH1-OD2 2.96Å; R147-D997 IonicContact NH2-OD2 3.91Å
148A93.8Very high92.8Very high14 Ų1462.5 Ų62.512%0.11633%0.33CS..Hα-helixtrans-67.3-42177.100000113.5F127 P145 R146 I152F127-A148 HydrophobicContact CB-CB 3.67Å; F127-A148 HydrophobicContact CD1-CB 3.57Å; F127-A148 HydrophobicContact CD2-CB 4.11Å; F127-A148 HydrophobicContact CE1-CB 4.12Å; F127-A148 HydrophobicContact CG-CB 3.54Å; P145-A148 HydrophobicContact CB-CB 3.91Å; P145-A148 HydrophobicContact CG-CB 4.23Å; P145-A148 WeakPolarHBondContact O-CB 3.42Å; P145-A148 PolarHBondContact O-N 3.12Å; R146-A148 PolarHBondContact O-N 2.75Å; A148-I152 WeakPolarHBondContact O-CB 3.41Å; A148-I152 PolarHBondContact O-N 3.18Å
149A94.9Very high93.2Very high3 Ų362.1 Ų62.13%0.02533%0.327CS..Hα-helixtrans-68.6-38.4175.900000112.2V144 P145 R146 F153 H190V144-A149 HydrophobicContact CB-CB 4.23Å; V144-A149 HydrophobicContact CG1-CB 3.76Å; P145-A149 PolarHBondContact O-N 3.49Å; R146-A149 PolarHBondContact O-N 2.76Å; A149-F153 HydrophobicContact CB-CD2 4.27Å; A149-F153 PolarHBondContact O-N 3.23Å; A149-H190 HydrophobicContact CB-CB 3.79Å; A149-H190 VanDerWaalsContact CB-CG 3.46Å
150E92.8Very high93.9Very high96 Ų9658 Ų5845%0.44931%0.31SS..Hα-helixtrans-73.5-30179.1-70.2169.9157.200112.5R146R146-E150 HydrophobicContact CG-CG 4.47Å; R146-E150 WeakPolarHBondContact CG-OE2 3.46Å; R146-E150 IonicContact CZ-OE1 2.68Å; R146-E150 VanDerWaalsContact CZ-OE1 3.25Å; R146-E150 IonicContact NE-OE1 3.18Å; R146-E150 PolarHBondContact NE-OE1 3.46Å; R146-E150 IonicContact NE-OE2 2.65Å; R146-E150 PolarHBondContact NE-OE2 2.99Å; R146-E150 IonicContact NH2-OE1 2.66Å; R146-E150 PolarHBondContact NH2-OE1 2.9Å; R146-E150 IonicContact NH2-OE2 3.25Å; R146-E150 PolarHBondContact O-N 2.89Å
151K92.3Very high94.7Very high109 Ų10965.6 Ų65.647%0.47434%0.337SS..Hα-helixtrans-83.6-48.5175.6-171.2-178.9173.9-1780114T124 R147T124-K151 PolarHBondContact O-NZ 3Å; R147-K151 VanDerWaalsContact O-CB 3.31Å; R147-K151 WeakPolarHBondContact O-CB 3.29Å; R147-K151 PolarHBondContact O-N 2.98Å
152I94.6Very high94.8Very high1 Ų168 Ų681%0.00535%0.351CS..Hα-helixtrans-96.2-29.4-164.5-58-56.1000113.6E125 F127 A148 F213 R215 L221E125-I152 VanDerWaalsContact C-CD1 3.42Å; E125-I152 HydrophobicContact CB-CD1 3.69Å; F127-I152 HydrophobicContact CD1-CB 4.05Å; F127-I152 HydrophobicContact CD1-CG1 3.84Å; F127-I152 HydrophobicContact CD1-CG2 4.38Å; F127-I152 HydrophobicContact CE1-CB 4.28Å; F127-I152 HydrophobicContact CE1-CG2 4.43Å; A148-I152 WeakPolarHBondContact O-CB 3.41Å; A148-I152 PolarHBondContact O-N 3.18Å; I152-F213 HydrophobicContact CG2-CB 4.12Å; I152-R215 VanDerWaalsContact O-CZ 3.27Å; I152-R215 PolarHBondContact O-NE 2.86Å; I152-R215 PolarHBondContact O-NH2 2.96Å; I152-L221 HydrophobicContact CG2-CD1 3.78Å
153F96.1Very high94.9Very high5 Ų568.6 Ų68.62%0.02235%0.354CS..SBendtrans-93154.6-179.7-58.9-25.4000111.4F127 V144 A149 L167 H181 L192 F213 L221F127-F153 HydrophobicContact CE1-CE1 4.02Å; F127-F153 HydrophobicContact CE1-CE2 4.49Å; F127-F153 AromaticContact CE1-CZ 3.84Å; F127-F153 HydrophobicContact CE1-CZ 3.84Å; F127-F153 HydrophobicContact CZ-CE1 4.43Å; F127-F153 AromaticContact CZ-CZ 3.87Å; F127-F153 HydrophobicContact CZ-CZ 3.87Å; V144-F153 HydrophobicContact CG1-CE2 3.81Å; V144-F153 HydrophobicContact CG1-CZ 4.42Å; V144-F153 HydrophobicContact CG2-CE2 3.95Å; A149-F153 HydrophobicContact CB-CD2 4.27Å; A149-F153 PolarHBondContact O-N 3.23Å; F153-L167 HydrophobicContact CB-CD1 4.3Å; F153-L167 HydrophobicContact CB-CD2 4.33Å; F153-L167 HydrophobicContact CD1-CD1 3.68Å; F153-L167 HydrophobicContact CD2-CD1 3.71Å; F153-L167 HydrophobicContact CE1-CD1 3.82Å; F153-L167 HydrophobicContact CE2-CD1 3.83Å; F153-L167 HydrophobicContact CG-CD1 3.63Å; F153-L167 HydrophobicContact CZ-CD1 3.88Å; F153-H181 AromaticContact CD2-CE1 3.77Å; F153-H181 AromaticContact CD2-ND1 3.84Å; F153-L192 HydrophobicContact CE2-CD2 4.08Å; F153-L192 HydrophobicContact CZ-CD2 4.44Å; F153-F213 HydrophobicContact CE1-CB 4.12Å; F153-F213 AromaticContact CE1-CD1 3.79Å; F153-F213 HydrophobicContact CE1-CD1 3.79Å; F153-F213 HydrophobicContact CE1-CE1 4.29Å; F153-F213 AromaticContact CE1-CG 3.91Å; F153-F213 HydrophobicContact CE1-CG 3.91Å; F153-F213 HydrophobicContact CZ-CD1 4.19Å; F153-F213 HydrophobicContact CZ-CD2 4.32Å; F153-F213 HydrophobicContact CZ-CE1 4.37Å; F153-F213 HydrophobicContact CZ-CE2 4.5Å; F153-F213 HydrophobicContact CZ-CG 4.16Å; F153-L221 HydrophobicContact CD1-CD1 4.05Å; F153-L221 HydrophobicContact CD1-CD2 4.15Å; F153-L221 HydrophobicContact CE1-CD1 4.11Å; F153-L221 HydrophobicContact CE1-CD2 4.25Å
154P95.3Very high94.9Very high50 Ų5068 Ų6833%0.32535%0.352SS..PPolyproline II helixtrans-58.5146172.9-16.830.2000110.3L156 Q165 L167P154-L156 PolarHBondContact O-N 3.4Å; P154-Q165 PolarHBondContact O-NE2 2.96Å; P154-L167 HydrophobicContact CG-CD2 4.25Å
155P95.7Very high94.9Very high128 Ų12869.5 Ų69.583%0.83136%0.359SS*.PPolyproline II helixtrans-53.9139.3176.6-28.236000112.6
156L96.9Very high95.1Very high16 Ų1672.4 Ų72.48%0.08437%0.367CS..PPolyproline II helixtrans-79.9143.2174.3-77.1169.9000110.9P154 F158 P163 Q165P154-L156 PolarHBondContact O-N 3.4Å; L156-F158 HydrophobicContact CB-CD2 4.39Å; L156-F158 HydrophobicContact CB-CE2 4.01Å; L156-F158 HydrophobicContact CB-CZ 4.15Å; L156-F158 WeakPolarHBondContact O-CD2 3.43Å; L156-F158 WeakPolarHBondContact O-CE2 3.39Å; L156-F158 PolarHBondContact O-N 3.17Å; L156-F158 VanDerWaalsContact O-N 3.16Å; L156-P163 HydrophobicContact CB-CB 4.22Å; L156-P163 HydrophobicContact CD1-CB 4.31Å; L156-Q165 HydrophobicContact CD2-CB 4.12Å; L156-Q165 HydrophobicContact CD2-CG 3.76Å; L156-Q165 VanDerWaalsContact CD2-NE2 3.29Å
157D96.1Very high95.3Very high83 Ų8365.2 Ų65.244%0.44434%0.34SS..  trans-73.2102.8164178.53.7000109.8T159 M160 P163D157-T159 VanDerWaalsContact C-N 3.25Å; D157-T159 VanDerWaalsContact CG-OG1 3.26Å; D157-T159 PolarHBondContact O-N 3.21Å; D157-T159 VanDerWaalsContact OD1-CB 3.28Å; D157-T159 WeakPolarHBondContact OD1-CB 3.36Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.4Å; D157-T159 PolarHBondContact OD1-N 3.46Å; D157-T159 PolarHBondContact OD1-OG1 3.06Å; D157-T159 PolarHBondContact OD2-OG1 3.38Å; D157-M160 HydrophobicContact CB-CG 4.38Å; D157-M160 PolarHBondContact O-N 3.3Å; D157-P163 WeakPolarHBondContact O-CB 3.22Å
158F95.1Very high95.5Very high119 Ų11965.3 Ų65.352%0.52235%0.346SS..THydrogen-bonded Turntrans-77.7-2.3178.8-70.5-83.8000114.4L156 M160 P163 Y183L156-F158 HydrophobicContact CB-CD2 4.39Å; L156-F158 HydrophobicContact CB-CE2 4.01Å; L156-F158 HydrophobicContact CB-CZ 4.15Å; L156-F158 WeakPolarHBondContact O-CD2 3.43Å; L156-F158 WeakPolarHBondContact O-CE2 3.39Å; L156-F158 PolarHBondContact O-N 3.17Å; L156-F158 VanDerWaalsContact O-N 3.16Å; F158-M160 VanDerWaalsContact C-N 3.32Å; F158-P163 HydrophobicContact CD1-CB 4.3Å; F158-P163 HydrophobicContact CD1-CG 3.86Å; F158-P163 HydrophobicContact CG-CG 4.5Å; F158-Y183 HydrophobicContact CD1-CD1 4.33Å; F158-Y183 AromaticContact CE1-CD1 3.69Å; F158-Y183 HydrophobicContact CE1-CD1 3.69Å; F158-Y183 AromaticContact CE1-CE1 3.95Å; F158-Y183 HydrophobicContact CE1-CE1 3.95Å; F158-Y183 HydrophobicContact CE1-CG 4.29Å
159T95.9Very high95.7Very high105 Ų10564.7 Ų64.764%0.64434%0.341SS*.THydrogen-bonded Turntrans-75-25.8170.373.90000112D157D157-T159 VanDerWaalsContact C-N 3.25Å; D157-T159 VanDerWaalsContact CG-OG1 3.26Å; D157-T159 PolarHBondContact O-N 3.21Å; D157-T159 VanDerWaalsContact OD1-CB 3.28Å; D157-T159 WeakPolarHBondContact OD1-CB 3.36Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.4Å; D157-T159 PolarHBondContact OD1-N 3.46Å; D157-T159 PolarHBondContact OD1-OG1 3.06Å; D157-T159 PolarHBondContact OD2-OG1 3.38Å
160M94.4Very high95.8Very high99 Ų9967.3 Ų67.349%0.48835%0.352SS..SBendtrans-72.7147.7176.4-65.9-60.9105.300112.2D157 F158 P162 P163D157-M160 HydrophobicContact CB-CG 4.38Å; D157-M160 PolarHBondContact O-N 3.3Å; F158-M160 VanDerWaalsContact C-N 3.32Å; M160-P162 CarbonylContact O-C 3.52Å; M160-P163 WeakPolarHBondContact O-CD 3.41Å; M160-P163 WeakPolarHBondContact O-CG 3.42Å
161Q92.1Very high95.9Very high188 Ų18863 Ų6388%0.87933%0.332SS*.SBendtrans-126.6107.3178.3-63.1-168.32500111.5
162P94Very high96.1Very high66 Ų6658.3 Ų58.343%0.42931%0.312SS..SBendcis-74.9153-10.532.1-35.3000112.9M160 A164 I182 R184M160-P162 CarbonylContact O-C 3.52Å; P162-A164 PolarHBondContact O-N 3.03Å; P162-I182 HydrophobicContact CB-CD1 4.34Å; P162-I182 HydrophobicContact CB-CG1 4.27Å; P162-I182 HydrophobicContact CG-CD1 3.7Å; P162-I182 HydrophobicContact CG-CG1 4.15Å; P162-R184 HydrophobicContact CB-CB 4.28Å
163P97.7Very high96.1Very high12 Ų1261 Ų618%0.07832%0.324CS..  trans-59.3127.3172.4-23.834.7000111.5L156 D157 F158 M160 I182 Y183L156-P163 HydrophobicContact CB-CB 4.22Å; L156-P163 HydrophobicContact CD1-CB 4.31Å; D157-P163 WeakPolarHBondContact O-CB 3.22Å; F158-P163 HydrophobicContact CD1-CB 4.3Å; F158-P163 HydrophobicContact CD1-CG 3.86Å; F158-P163 HydrophobicContact CG-CG 4.5Å; M160-P163 WeakPolarHBondContact O-CD 3.41Å; M160-P163 WeakPolarHBondContact O-CG 3.42Å; P163-I182 WeakPolarHBondContact O-CA 3.29Å; P163-Y183 PolarHBondContact O-N 2.68Å
164A97.6Very high96Very high33 Ų3364 Ų6427%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-153.7154.7-179.100000112.9P162 H181 I182P162-A164 PolarHBondContact O-N 3.03Å; A164-H181 CarbonylContact C-O 3.44Å; A164-H181 WeakPolarHBondContact CA-O 3.32Å; A164-H181 WeakPolarHBondContact CB-O 3.45Å; A164-I182 HydrophobicContact CB-CB 4.09Å; A164-I182 HydrophobicContact CB-CD1 4.33Å; A164-I182 HydrophobicContact CB-CG1 4.04Å
165Q97.7Very high96Very high42 Ų4265.6 Ų65.620%0.19635%0.345CS..EExtended strand (participates in β ladder)trans-147.8163.8174.266.8-176.4-65.900111P154 L156 L167 H181P154-Q165 PolarHBondContact O-NE2 2.96Å; L156-Q165 HydrophobicContact CD2-CB 4.12Å; L156-Q165 HydrophobicContact CD2-CG 3.76Å; L156-Q165 VanDerWaalsContact CD2-NE2 3.29Å; Q165-L167 HydrophobicContact CG-CD2 3.95Å; Q165-L167 HydrophobicContact CG-CG 4.42Å; Q165-H181 HydrophobicContact CG-CB 3.88Å; Q165-H181 PolarHBondContact N-O 3.41Å; Q165-H181 PolarHBondContact NE2-ND1 3.37Å; Q165-H181 PolarHBondContact O-N 3.16Å
166E98Very high96Very high115 Ų11562.9 Ų62.954%0.53733%0.33SS..EExtended strand (participates in β ladder)trans-92.4126.4164.2-173.817697.500109.4K178E166-K178 WeakPolarHBondContact OE1-CE 3.22Å; E166-K178 IonicContact OE1-NZ 3.32Å; E166-K178 PolarHBondContact OE1-NZ 2.81Å; E166-K178 IonicContact OE2-NZ 2.67Å
167L97.6Very high96.1Very high4 Ų463.7 Ų63.72%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-99.1142.3167.7-57.5-178.6000109.1F153 P154 Q165 K178 F179 H181 L192 L221F153-L167 HydrophobicContact CB-CD1 4.3Å; F153-L167 HydrophobicContact CB-CD2 4.33Å; F153-L167 HydrophobicContact CD1-CD1 3.68Å; F153-L167 HydrophobicContact CD2-CD1 3.71Å; F153-L167 HydrophobicContact CE1-CD1 3.82Å; F153-L167 HydrophobicContact CE2-CD1 3.83Å; F153-L167 HydrophobicContact CG-CD1 3.63Å; F153-L167 HydrophobicContact CZ-CD1 3.88Å; P154-L167 HydrophobicContact CG-CD2 4.25Å; Q165-L167 HydrophobicContact CG-CD2 3.95Å; Q165-L167 HydrophobicContact CG-CG 4.42Å; L167-K178 CarbonylContact O-C 3.6Å; L167-K178 WeakPolarHBondContact O-CA 3.43Å; L167-F179 HydrophobicContact CB-CB 4.49Å; L167-F179 PolarHBondContact N-O 3.11Å; L167-F179 PolarHBondContact O-N 3.49Å; L167-H181 HydrophobicContact CD1-CB 3.72Å; L167-H181 HydrophobicContact CD2-CB 4.49Å; L167-H181 HydrophobicContact CG-CB 3.79Å; L167-L192 HydrophobicContact CD1-CD2 3.91Å; L167-L221 HydrophobicContact CB-CD2 4.13Å; L167-L221 HydrophobicContact CD1-CD2 4.37Å
168I97.5Very high96.2Very high84 Ų8465.2 Ų65.243%0.43133%0.334SS..EExtended strand (participates in β ladder)trans-121.2121.1168.6-48.8-174.4000107.1W177 K178I168-W177 WeakPolarHBondContact CA-O 3.41Å; I168-K178 HydrophobicContact CG1-CG 4.27Å
169A97.3Very high96.3Very high0 Ų059.6 Ų59.60%031%0.31CS..EExtended strand (participates in β ladder)trans-125.2139.6177.800000110.4W177 F179 F213 L221 L223A169-W177 PolarHBondContact N-O 3.33Å; A169-W177 PolarHBondContact O-N 3.31Å; A169-F179 HydrophobicContact CB-CE2 4.45Å; A169-F213 HydrophobicContact CB-CD1 4.32Å; A169-F213 HydrophobicContact CB-CE1 4.14Å; A169-L221 VanDerWaalsContact CA-O 3.29Å; A169-L221 WeakPolarHBondContact CA-O 3.41Å; A169-L221 HydrophobicContact CB-CD2 3.99Å; A169-L221 HydrophobicContact CB-CG 3.86Å; A169-L223 HydrophobicContact CB-CB 3.92Å; A169-L223 HydrophobicContact CB-CD2 4.46Å
170K96.8Very high96.4Very high59 Ų5960.4 Ų60.426%0.25730%0.301SS..EExtended strand (participates in β ladder)trans-97.5141.2176.3-58.1171.2-177.8168.10111.4D174 I175 L221 L222 L223K170-D174 WeakPolarHBondContact CD-OD1 3.17Å; K170-I175 VanDerWaalsContact CA-O 3.3Å; K170-I175 WeakPolarHBondContact CA-O 3.24Å; K170-L221 PolarHBondContact N-O 2.86Å; K170-L222 HydrophobicContact CB-CD2 3.79Å; K170-L222 HydrophobicContact CD-CD2 4.31Å; K170-L222 HydrophobicContact CG-CD2 4.46Å; K170-L222 CarbonylContact O-C 3.58Å; K170-L222 WeakPolarHBondContact O-CA 3.43Å; K170-L223 PolarHBondContact O-N 3.28Å
171D96Very high96.6Very high6 Ų655.8 Ų55.83%0.03228%0.278CS..  trans-87.2-178.6171.472.613.7000113.4H173 D174 I175 W177 K203 L223D171-H173 PolarHBondContact O-N 2.93Å; D171-H173 WeakPolarHBondContact OD1-CA 3.3Å; D171-H173 WeakPolarHBondContact OD1-CB 3.48Å; D171-H173 IonicContact OD1-CD2 3.79Å; D171-H173 PolarHBondContact OD1-N 3.49Å; D171-D174 PolarHBondContact O-N 3.47Å; D171-D174 PolarHBondContact OD1-N 3.49Å; D171-I175 PolarHBondContact N-O 3.32Å; D171-I175 WeakPolarHBondContact OD1-CB 3.31Å; D171-I175 PolarHBondContact OD1-N 2.72Å; D171-I175 VanDerWaalsContact OD1-N 3.11Å; D171-W177 PolarHBondContact OD2-NE1 3.49Å; D171-K203 VanDerWaalsContact OD2-CE 3.24Å; D171-K203 WeakPolarHBondContact OD2-CE 3.11Å; D171-K203 IonicContact OD2-NZ 2.9Å; D171-K203 PolarHBondContact OD2-NZ 2.93Å; D171-L223 WeakPolarHBondContact CA-O 3.24Å
172L95Very high96.8Very high10 Ų1047.3 Ų47.35%0.05224%0.239CC..THydrogen-bonded Turntrans-57.1-15.1177.1-76.2166.9000114.2I21 L25 W26 C29 A86 V93I21-L172 HydrophobicContact CD1-CB 4.13Å; I21-L172 HydrophobicContact CD1-CD2 3.85Å; I21-L172 HydrophobicContact CG1-CD2 3.94Å; I21-L172 WeakPolarHBondContact CG1-O 3.46Å; L25-L172 HydrophobicContact CB-CD2 4.27Å; L25-L172 HydrophobicContact CD2-CD2 3.77Å; L25-L172 HydrophobicContact CD2-CG 3.87Å; L25-L172 HydrophobicContact CG-CD2 3.74Å; L25-L172 HydrophobicContact CG-CG 4.14Å; W26-L172 HydrophobicContact CB-CD2 4.43Å; C29-L172 HydrophobicContact CB-CD1 4.19Å; A86-L172 HydrophobicContact CB-CB 4.07Å; A86-L172 HydrophobicContact CB-CD1 3.94Å; V93-L172 HydrophobicContact CG1-CD1 3.61Å; V93-L172 HydrophobicContact CG1-CD2 4.41Å
173H95.1Very high97Very high56 Ų5646.1 Ų46.126%0.25923%0.226SC..THydrogen-bonded Turntrans-107.615.2-179.7-46.7-73.9000112.2D87 D91 D171 I175D87-H173 PolarHBondContact O-CE1 2.94Å; D87-H173 VanDerWaalsContact O-CE1 3.27Å; D87-H173 PolarHBondContact O-NE2 2.76Å; D91-H173 IonicContact OD1-CD2 2.75Å; D91-H173 IonicContact OD1-NE2 2.68Å; D171-H173 PolarHBondContact O-N 2.93Å; D171-H173 WeakPolarHBondContact OD1-CA 3.3Å; D171-H173 WeakPolarHBondContact OD1-CB 3.48Å; D171-H173 IonicContact OD1-CD2 3.79Å; D171-H173 PolarHBondContact OD1-N 3.49Å; H173-I175 HydrophobicContact CB-CD1 4.12Å; H173-I175 HydrophobicContact CB-CG1 4.12Å; H173-I175 PolarHBondContact O-N 3.23Å
174D93.7Very high96.9Very high68 Ų6851.5 Ų51.536%0.36425%0.245SC..  trans65.411.1-177.9-138.720.5000113.3K19 K170 D171 S176K19-D174 WeakPolarHBondContact CD-OD2 3.47Å; K19-D174 WeakPolarHBondContact CE-OD2 3.49Å; K19-D174 IonicContact NZ-OD2 3.6Å; K19-D174 PolarHBondContact NZ-OD2 2.92Å; K170-D174 WeakPolarHBondContact CD-OD1 3.17Å; D171-D174 PolarHBondContact O-N 3.47Å; D171-D174 PolarHBondContact OD1-N 3.49Å; D174-S176 PolarHBondContact O-N 3.22Å
175I95.3Very high96.7Very high85 Ų8552.3 Ų52.344%0.43626%0.256SS..  trans-75125179.3-57.2172.6000108.8K170 D171 H173 W177K170-I175 VanDerWaalsContact CA-O 3.3Å; K170-I175 WeakPolarHBondContact CA-O 3.24Å; D171-I175 PolarHBondContact N-O 3.32Å; D171-I175 WeakPolarHBondContact OD1-CB 3.31Å; D171-I175 PolarHBondContact OD1-N 2.72Å; D171-I175 VanDerWaalsContact OD1-N 3.11Å; H173-I175 HydrophobicContact CB-CD1 4.12Å; H173-I175 HydrophobicContact CB-CG1 4.12Å; H173-I175 PolarHBondContact O-N 3.23Å; I175-W177 HydrophobicContact CG2-CZ2 4.07Å
176S97Very high96.4Very high71 Ų7158.8 Ų58.850%0.49729%0.286SS..EExtended strand (participates in β ladder)trans-89.9110.5-176.4-620000112D174D174-S176 PolarHBondContact O-N 3.22Å
177W98Very high96.2Very high32 Ų3257.1 Ų57.112%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-96.3127.8179.8-6393.6000111.2I168 A169 D171 I175 F179 F199 T202 K203 L223I168-W177 WeakPolarHBondContact CA-O 3.41Å; A169-W177 PolarHBondContact N-O 3.33Å; A169-W177 PolarHBondContact O-N 3.31Å; D171-W177 PolarHBondContact OD2-NE1 3.49Å; I175-W177 HydrophobicContact CG2-CZ2 4.07Å; W177-F179 HydrophobicContact CB-CD2 4.45Å; W177-F179 HydrophobicContact CB-CE2 3.48Å; W177-F179 VanDerWaalsContact CB-CE2 3.48Å; W177-F179 HydrophobicContact CB-CZ 3.61Å; W177-F179 HydrophobicContact CG-CZ 4.41Å; W177-F199 AromaticContact CD2-CD2 3.6Å; W177-F199 HydrophobicContact CD2-CD2 3.6Å; W177-F199 HydrophobicContact CD2-CE2 4.24Å; W177-F199 AromaticContact CE2-CD2 3.85Å; W177-F199 HydrophobicContact CE3-CB 3.99Å; W177-F199 AromaticContact CE3-CD2 3.7Å; W177-F199 HydrophobicContact CE3-CD2 3.7Å; W177-F199 HydrophobicContact CE3-CG 4.33Å; W177-F199 HydrophobicContact CG-CD2 4.08Å; W177-F199 HydrophobicContact CG-CE2 4.43Å; W177-F199 HydrophobicContact CH2-CD2 4.3Å; W177-F199 HydrophobicContact CZ2-CD2 4.21Å; W177-F199 HydrophobicContact CZ3-CB 4.16Å; W177-F199 HydrophobicContact CZ3-CD2 4.04Å; W177-T202 HydrophobicContact CH2-CG2 3.93Å; W177-K203 HydrophobicContact CZ2-CG 4.44Å; W177-L223 HydrophobicContact CB-CD2 4.17Å; W177-L223 HydrophobicContact CG-CD2 4.24Å
178K98Very high96Very high115 Ų11563 Ų6350%0.531%0.311SS..EExtended strand (participates in β ladder)trans-98.1131.9177.8-68.5-167164.3-142.60111.4E166 L167 I168 G195E166-K178 WeakPolarHBondContact OE1-CE 3.22Å; E166-K178 IonicContact OE1-NZ 3.32Å; E166-K178 PolarHBondContact OE1-NZ 2.81Å; E166-K178 IonicContact OE2-NZ 2.67Å; L167-K178 CarbonylContact O-C 3.6Å; L167-K178 WeakPolarHBondContact O-CA 3.43Å; I168-K178 HydrophobicContact CG1-CG 4.27Å; K178-G195 WeakPolarHBondContact O-CA 3.38Å
179F98.2Very high96Very high2 Ų266.2 Ų66.21%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-132.8134.8178.1-55.6-78.7000112.1L167 A169 W177 H181 L192 T194 W196 F199 F213 L223L167-F179 HydrophobicContact CB-CB 4.49Å; L167-F179 PolarHBondContact N-O 3.11Å; L167-F179 PolarHBondContact O-N 3.49Å; A169-F179 HydrophobicContact CB-CE2 4.45Å; W177-F179 HydrophobicContact CB-CD2 4.45Å; W177-F179 HydrophobicContact CB-CE2 3.48Å; W177-F179 VanDerWaalsContact CB-CE2 3.48Å; W177-F179 HydrophobicContact CB-CZ 3.61Å; W177-F179 HydrophobicContact CG-CZ 4.41Å; F179-H181 PolarHBondContact O-N 3.09Å; F179-L192 HydrophobicContact CB-CB 4.41Å; F179-L192 HydrophobicContact CB-CD1 4.29Å; F179-L192 HydrophobicContact CB-CD2 4.28Å; F179-L192 HydrophobicContact CD1-CD1 4.41Å; F179-L192 HydrophobicContact CG-CD1 4.22Å; F179-T194 WeakPolarHBondContact CA-O 3.24Å; F179-W196 HydrophobicContact CD1-CB 4.39Å; F179-W196 HydrophobicContact CD1-CE3 4.46Å; F179-W196 HydrophobicContact CE1-CE3 4.04Å; F179-F199 HydrophobicContact CE1-CB 3.8Å; F179-F199 HydrophobicContact CE1-CD1 4.37Å; F179-F199 HydrophobicContact CE1-CG 4.1Å; F179-F199 HydrophobicContact CZ-CB 4.1Å; F179-F199 HydrophobicContact CZ-CD1 4.33Å; F179-F199 HydrophobicContact CZ-CD2 4.24Å; F179-F199 AromaticContact CZ-CG 3.98Å; F179-F199 HydrophobicContact CZ-CG 3.98Å; F179-F213 HydrophobicContact CD2-CE1 4.49Å; F179-F213 HydrophobicContact CE2-CE1 4.32Å; F179-F213 HydrophobicContact CE2-CZ 4.46Å; F179-L223 HydrophobicContact CE2-CD2 3.63Å; F179-L223 HydrophobicContact CZ-CD2 3.63Å
180R97.7Very high96Very high121 Ų12166.6 Ų66.646%0.45732%0.32SS..EExtended strand (participates in β ladder)trans-83.4101.4167.8-177.1178.5-175.7143.45.5110.2L192 T193 T194R180-L192 WeakPolarHBondContact O-CA 3.37Å; R180-T193 PolarHBondContact O-N 3.37Å; R180-T193 PolarHBondContact O-OG1 3.07Å; R180-T194 PolarHBondContact N-O 2.95Å
181H98.1Very high96Very high2 Ų265 Ų651%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-78131168.6175.7-155.1000109.4F153 A164 Q165 L167 F179 H190 L191 L192F153-H181 AromaticContact CD2-CE1 3.77Å; F153-H181 AromaticContact CD2-ND1 3.84Å; A164-H181 CarbonylContact C-O 3.44Å; A164-H181 WeakPolarHBondContact CA-O 3.32Å; A164-H181 WeakPolarHBondContact CB-O 3.45Å; Q165-H181 HydrophobicContact CG-CB 3.88Å; Q165-H181 PolarHBondContact N-O 3.41Å; Q165-H181 PolarHBondContact NE2-ND1 3.37Å; Q165-H181 PolarHBondContact O-N 3.16Å; L167-H181 HydrophobicContact CD1-CB 3.72Å; L167-H181 HydrophobicContact CD2-CB 4.49Å; L167-H181 HydrophobicContact CG-CB 3.79Å; F179-H181 PolarHBondContact O-N 3.09Å; H181-H190 AromaticContact CE1-ND1 3.69Å; H181-H190 AromaticContact NE2-CG 3.78Å; H181-H190 AromaticContact NE2-ND1 2.99Å; H181-H190 PolarHBondContact NE2-ND1 3.3Å; H181-L191 CarbonylContact C-O 3.46Å; H181-L191 WeakPolarHBondContact CA-O 3.48Å; H181-L192 HydrophobicContact CB-CD2 3.76Å
182I97.6Very high96.1Very high11 Ų1164.7 Ų64.76%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-148.5135.1-175.4-175.6164.8000110.9P162 P163 A164 R184 L191 T193P162-I182 HydrophobicContact CB-CD1 4.34Å; P162-I182 HydrophobicContact CB-CG1 4.27Å; P162-I182 HydrophobicContact CG-CD1 3.7Å; P162-I182 HydrophobicContact CG-CG1 4.15Å; P163-I182 WeakPolarHBondContact O-CA 3.29Å; A164-I182 HydrophobicContact CB-CB 4.09Å; A164-I182 HydrophobicContact CB-CD1 4.33Å; A164-I182 HydrophobicContact CB-CG1 4.04Å; I182-R184 HydrophobicContact CD1-CG 4.44Å; I182-R184 HydrophobicContact CG1-CB 4.35Å; I182-R184 HydrophobicContact CG1-CG 4.1Å; I182-R184 HydrophobicContact CG2-CG 4.4Å; I182-L191 HydrophobicContact CG2-CB 4.02Å; I182-L191 PolarHBondContact N-O 3.2Å; I182-L191 PolarHBondContact O-N 3.02Å; I182-T193 HydrophobicContact CG2-CG2 3.6Å
183Y97.6Very high96.2Very high41 Ų4165.5 Ų65.516%0.16132%0.318CS..EExtended strand (participates in β ladder)trans-102.6105.5177-173.8-115.6000110.1F158 P163 K188 R189 H190F158-Y183 HydrophobicContact CD1-CD1 4.33Å; F158-Y183 AromaticContact CE1-CD1 3.69Å; F158-Y183 HydrophobicContact CE1-CD1 3.69Å; F158-Y183 AromaticContact CE1-CE1 3.95Å; F158-Y183 HydrophobicContact CE1-CE1 3.95Å; F158-Y183 HydrophobicContact CE1-CG 4.29Å; P163-Y183 PolarHBondContact O-N 2.68Å; Y183-K188 HydrophobicContact CD1-CB 4.21Å; Y183-K188 HydrophobicContact CD1-CD 3.99Å; Y183-K188 HydrophobicContact CD2-CB 4.48Å; Y183-K188 HydrophobicContact CE1-CB 3.61Å; Y183-K188 HydrophobicContact CE1-CD 3.47Å; Y183-K188 VanDerWaalsContact CE1-CD 3.47Å; Y183-K188 HydrophobicContact CE1-CG 4.17Å; Y183-K188 HydrophobicContact CE2-CB 3.9Å; Y183-K188 VanDerWaalsContact CZ-CB 3.44Å; Y183-R189 WeakPolarHBondContact CA-O 3.25Å; Y183-H190 AromaticContact CD2-CD2 3.58Å; Y183-H190 AromaticContact CD2-CE1 3.71Å; Y183-H190 AromaticContact CD2-CG 3.81Å; Y183-H190 AromaticContact CD2-ND1 3.89Å; Y183-H190 AromaticContact CD2-NE2 3.49Å; Y183-H190 WeakPolarHBondContact CD2-NE2 3.18Å; Y183-H190 AromaticContact CE2-CD2 3.65Å; Y183-H190 AromaticContact CE2-NE2 3.51Å
184R95.9Very high96.2Very high124 Ų12467.4 Ų67.447%0.46833%0.333SS..EExtended strand (participates in β ladder)trans-157.4-179.1-172.166.6171.4-176.4130.75.8112.6P162 I182 R189 L191P162-R184 HydrophobicContact CB-CB 4.28Å; I182-R184 HydrophobicContact CD1-CG 4.44Å; I182-R184 HydrophobicContact CG1-CB 4.35Å; I182-R184 HydrophobicContact CG1-CG 4.1Å; I182-R184 HydrophobicContact CG2-CG 4.4Å; R184-R189 PolarHBondContact N-O 3.41Å; R184-R189 VanDerWaalsContact N-O 3.08Å; R184-R189 PolarHBondContact O-N 2.73Å; R184-L191 HydrophobicContact CG-CD1 3.83Å
185G92.7Very high96.4Very high50 Ų5065 Ų6552%0.51533%0.325SS..THydrogen-bonded Turntrans93.5176.4-178.200000112.3P187 K188G185-P187 CarbonylContact C-O 3.45Å; G185-P187 VanDerWaalsContact C-O 3.27Å; G185-P187 CarbonylContact O-C 3.44Å; G185-K188 WeakPolarHBondContact O-CA 3.49Å; G185-K188 WeakPolarHBondContact O-CG 3.36Å; G185-K188 PolarHBondContact O-N 3.35Å
186Q91.6Very high96.5Very high178 Ų17861 Ų6183%0.83231%0.305SS*.THydrogen-bonded Turntrans-134113.9176.5-171.5659.400109.2
187P93.2Very high96.5Very high81 Ų8160.2 Ų60.253%0.52630%0.299SS..THydrogen-bonded Turncis-57.7158.5-12.328.8-36.7000111.9G185G185-P187 CarbonylContact C-O 3.45Å; G185-P187 VanDerWaalsContact C-O 3.27Å; G185-P187 CarbonylContact O-C 3.44Å
188K94.6Very high96.3Very high128 Ų12862.6 Ų62.656%0.55732%0.316SS*.THydrogen-bonded Turntrans-66136.9-179-63.6-178.5-176176.60111Y183 G185Y183-K188 HydrophobicContact CD1-CB 4.21Å; Y183-K188 HydrophobicContact CD1-CD 3.99Å; Y183-K188 HydrophobicContact CD2-CB 4.48Å; Y183-K188 HydrophobicContact CE1-CB 3.61Å; Y183-K188 HydrophobicContact CE1-CD 3.47Å; Y183-K188 VanDerWaalsContact CE1-CD 3.47Å; Y183-K188 HydrophobicContact CE1-CG 4.17Å; Y183-K188 HydrophobicContact CE2-CB 3.9Å; Y183-K188 VanDerWaalsContact CZ-CB 3.44Å; G185-K188 WeakPolarHBondContact O-CA 3.49Å; G185-K188 WeakPolarHBondContact O-CG 3.36Å; G185-K188 PolarHBondContact O-N 3.35Å
189R95.8Very high96.3Very high150 Ų15057.1 Ų57.157%0.56629%0.293SS*.EExtended strand (participates in β ladder)trans-138.3152.8-179.3-61175.8-166.3-98.62.3110.2Y183 R184Y183-R189 WeakPolarHBondContact CA-O 3.25Å; R184-R189 PolarHBondContact N-O 3.41Å; R184-R189 VanDerWaalsContact N-O 3.08Å; R184-R189 PolarHBondContact O-N 2.73Å
190H97.8Very high96.2Very high8 Ų857.7 Ų57.74%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-79.7127.2171-68.3-94.3000109.5V144 A149 H181 Y183V144-H190 HydrophobicContact CB-CB 3.84Å; V144-H190 HydrophobicContact CG2-CB 4.23Å; V144-H190 PolarHBondContact N-O 2.93Å; A149-H190 HydrophobicContact CB-CB 3.79Å; A149-H190 VanDerWaalsContact CB-CG 3.46Å; H181-H190 AromaticContact CE1-ND1 3.69Å; H181-H190 AromaticContact NE2-CG 3.78Å; H181-H190 AromaticContact NE2-ND1 2.99Å; H181-H190 PolarHBondContact NE2-ND1 3.3Å; Y183-H190 AromaticContact CD2-CD2 3.58Å; Y183-H190 AromaticContact CD2-CE1 3.71Å; Y183-H190 AromaticContact CD2-CG 3.81Å; Y183-H190 AromaticContact CD2-ND1 3.89Å; Y183-H190 AromaticContact CD2-NE2 3.49Å; Y183-H190 WeakPolarHBondContact CD2-NE2 3.18Å; Y183-H190 AromaticContact CE2-CD2 3.65Å; Y183-H190 AromaticContact CE2-NE2 3.51Å
191L97.5Very high96.1Very high25 Ų2555.9 Ų55.913%0.13130%0.302CS..EExtended strand (participates in β ladder)trans-129.8139-178.3-59.4173.3000110.6F142 H181 I182 R184 T193F142-L191 CarbonylContact O-C 3.56Å; F142-L191 VanDerWaalsContact O-CA 3.29Å; F142-L191 WeakPolarHBondContact O-CA 3.24Å; H181-L191 CarbonylContact C-O 3.46Å; H181-L191 WeakPolarHBondContact CA-O 3.48Å; I182-L191 HydrophobicContact CG2-CB 4.02Å; I182-L191 PolarHBondContact N-O 3.2Å; I182-L191 PolarHBondContact O-N 3.02Å; R184-L191 HydrophobicContact CG-CD1 3.83Å; L191-T193 HydrophobicContact CB-CG2 4.03Å
192L98Very high95.9Very high0 Ų059.9 Ų59.90%033%0.327CS..EExtended strand (participates in β ladder)trans-93.8131.4156.2-49.6-178.8000108.4G141 F142 V144 F153 L167 F179 R180 H181 W196 F213G141-L192 CarbonylContact C-O 3.54Å; G141-L192 WeakPolarHBondContact CA-O 3.39Å; F142-L192 HydrophobicContact CB-CB 4.09Å; F142-L192 HydrophobicContact CB-CD1 4.5Å; F142-L192 HydrophobicContact CB-CG 4.39Å; F142-L192 HydrophobicContact CD1-CD1 3.93Å; F142-L192 HydrophobicContact CD1-CG 4.08Å; F142-L192 PolarHBondContact N-O 2.84Å; F142-L192 PolarHBondContact O-N 2.92Å; V144-L192 HydrophobicContact CG2-CD2 4.34Å; V144-L192 HydrophobicContact CG2-CG 4.05Å; F153-L192 HydrophobicContact CE2-CD2 4.08Å; F153-L192 HydrophobicContact CZ-CD2 4.44Å; L167-L192 HydrophobicContact CD1-CD2 3.91Å; F179-L192 HydrophobicContact CB-CB 4.41Å; F179-L192 HydrophobicContact CB-CD1 4.29Å; F179-L192 HydrophobicContact CB-CD2 4.28Å; F179-L192 HydrophobicContact CD1-CD1 4.41Å; F179-L192 HydrophobicContact CG-CD1 4.22Å; R180-L192 WeakPolarHBondContact O-CA 3.37Å; H181-L192 HydrophobicContact CB-CD2 3.76Å; L192-W196 HydrophobicContact CB-CB 4.39Å; L192-F213 HydrophobicContact CD1-CE1 4.44Å; L192-F213 HydrophobicContact CD1-CE2 4.16Å; L192-F213 HydrophobicContact CD1-CZ 3.64Å
193T96.8Very high95.8Very high28 Ų2860.1 Ų60.117%0.17233%0.328CS..  trans-123.8-90.2-169.651.10000112.2R180 I182 L191 G195 W196R180-T193 PolarHBondContact O-N 3.37Å; R180-T193 PolarHBondContact O-OG1 3.07Å; I182-T193 HydrophobicContact CG2-CG2 3.6Å; L191-T193 HydrophobicContact CB-CG2 4.03Å; T193-G195 PolarHBondContact O-N 3.27Å; T193-W196 WeakPolarHBondContact O-CB 3.38Å; T193-W196 PolarHBondContact O-N 2.75Å
194T96Very high95.7Very high95 Ų9565.9 Ų65.958%0.58335%0.349SS*.THydrogen-bonded Turntrans-56.8134.5173.2-45.30000109.8F179 R180 W196F179-T194 WeakPolarHBondContact CA-O 3.24Å; R180-T194 PolarHBondContact N-O 2.95Å; T194-W196 VanDerWaalsContact C-N 3.31Å; T194-W196 PolarHBondContact O-N 3.33Å
195G96.2Very high95.7Very high19 Ų1960.3 Ų60.320%0.19633%0.329CS..THydrogen-bonded Turntrans88.5-27.6-176.900000115.1K178 T193 V198 F199K178-G195 WeakPolarHBondContact O-CA 3.38Å; T193-G195 PolarHBondContact O-N 3.27Å; G195-V198 PolarHBondContact O-N 2.88Å; G195-F199 PolarHBondContact O-N 3.33Å
196W98.1Very high95.7Very high1 Ų162.8 Ų62.80%0.00433%0.33CS..Hα-helixtrans-65.6-49.7-176.2173.8-105.2000113.6L131 D135 F142 F179 L192 T193 T194 V198 F199 V200 V211L131-W196 HydrophobicContact CD1-CH2 4.36Å; L131-W196 HydrophobicContact CD1-CZ2 4.24Å; L131-W196 HydrophobicContact CD2-CH2 3.88Å; L131-W196 HydrophobicContact CD2-CZ2 3.92Å; D135-W196 HydrophobicContact CB-CZ2 4.46Å; D135-W196 PolarHBondContact O-NE1 3.32Å; F142-W196 HydrophobicContact CB-CD2 3.57Å; F142-W196 HydrophobicContact CB-CE3 3.86Å; F142-W196 HydrophobicContact CB-CG 4.03Å; F142-W196 HydrophobicContact CB-CH2 4.14Å; F142-W196 HydrophobicContact CB-CZ2 3.88Å; F142-W196 HydrophobicContact CB-CZ3 4.13Å; F142-W196 AromaticContact CD2-CH2 3.74Å; F142-W196 HydrophobicContact CD2-CH2 3.74Å; F142-W196 AromaticContact CD2-CZ2 3.78Å; F142-W196 HydrophobicContact CD2-CZ2 3.78Å; F142-W196 HydrophobicContact CD2-CZ3 4.3Å; F142-W196 HydrophobicContact CE2-CH2 4.39Å; F142-W196 HydrophobicContact CG-CD2 4.49Å; F142-W196 HydrophobicContact CG-CE3 4.43Å; F142-W196 HydrophobicContact CG-CH2 4.1Å; F142-W196 HydrophobicContact CG-CZ2 4.18Å; F142-W196 HydrophobicContact CG-CZ3 4.23Å; F179-W196 HydrophobicContact CD1-CB 4.39Å; F179-W196 HydrophobicContact CD1-CE3 4.46Å; F179-W196 HydrophobicContact CE1-CE3 4.04Å; L192-W196 HydrophobicContact CB-CB 4.39Å; T193-W196 WeakPolarHBondContact O-CB 3.38Å; T193-W196 PolarHBondContact O-N 2.75Å; T194-W196 VanDerWaalsContact C-N 3.31Å; T194-W196 PolarHBondContact O-N 3.33Å; W196-V198 PolarHBondContact O-N 2.79Å; W196-F199 AromaticContact CE3-CD1 3.92Å; W196-F199 HydrophobicContact CE3-CD1 3.92Å; W196-F199 HydrophobicContact CH2-CD1 4.16Å; W196-F199 HydrophobicContact CH2-CE1 4.24Å; W196-F199 AromaticContact CZ3-CD1 3.56Å; W196-F199 HydrophobicContact CZ3-CD1 3.56Å; W196-F199 AromaticContact CZ3-CE1 3.79Å; W196-F199 HydrophobicContact CZ3-CE1 3.79Å; W196-F199 WeakPolarHBondContact O-CB 3.46Å; W196-F199 PolarHBondContact O-N 2.92Å; W196-V200 HydrophobicContact CD2-CG2 4.05Å; W196-V200 HydrophobicContact CH2-CG2 4.11Å; W196-V200 HydrophobicContact CZ2-CG2 3.4Å; W196-V200 PolarHBondContact O-N 3.39Å; W196-V211 HydrophobicContact CH2-CG2 4.17Å; W196-V211 HydrophobicContact CZ3-CG1 4.47Å
197S96.1Very high95.9Very high54 Ų5456.2 Ų56.238%0.37831%0.305SS..Hα-helixtrans-63.7-29.4178.652.30000112.8S201S197-S201 WeakPolarHBondContact O-CB 3.48Å; S197-S201 PolarHBondContact O-N 3.35Å; S197-S201 PolarHBondContact O-OG 2.91Å
198V95.4Very high95.9Very high81 Ų8153.8 Ų53.849%0.49130%0.295SS..Hα-helixtrans-65.3-53.7172.4-176.80000109.7G195 W196 V200 S201 T202G195-V198 PolarHBondContact O-N 2.88Å; W196-V198 PolarHBondContact O-N 2.79Å; V198-V200 PolarHBondContact O-N 3.04Å; V198-S201 PolarHBondContact O-N 2.95Å; V198-S201 VanDerWaalsContact O-N 3.08Å; V198-S201 PolarHBondContact O-OG 2.74Å; V198-T202 PolarHBondContact O-N 2.77Å; V198-T202 PolarHBondContact O-OG1 2.93Å; V198-T202 VanDerWaalsContact O-OG1 3.11Å
199F96.8Very high95.9Very high0 Ų048.1 Ų48.10%027%0.271CS..Hα-helixtrans-53.2-50.1176.6174.5-107.4000112.5W177 F179 G195 W196 S201 T202 K203 L205 V211 L223 I225W177-F199 AromaticContact CD2-CD2 3.6Å; W177-F199 HydrophobicContact CD2-CD2 3.6Å; W177-F199 HydrophobicContact CD2-CE2 4.24Å; W177-F199 AromaticContact CE2-CD2 3.85Å; W177-F199 HydrophobicContact CE3-CB 3.99Å; W177-F199 AromaticContact CE3-CD2 3.7Å; W177-F199 HydrophobicContact CE3-CD2 3.7Å; W177-F199 HydrophobicContact CE3-CG 4.33Å; W177-F199 HydrophobicContact CG-CD2 4.08Å; W177-F199 HydrophobicContact CG-CE2 4.43Å; W177-F199 HydrophobicContact CH2-CD2 4.3Å; W177-F199 HydrophobicContact CZ2-CD2 4.21Å; W177-F199 HydrophobicContact CZ3-CB 4.16Å; W177-F199 HydrophobicContact CZ3-CD2 4.04Å; F179-F199 HydrophobicContact CE1-CB 3.8Å; F179-F199 HydrophobicContact CE1-CD1 4.37Å; F179-F199 HydrophobicContact CE1-CG 4.1Å; F179-F199 HydrophobicContact CZ-CB 4.1Å; F179-F199 HydrophobicContact CZ-CD1 4.33Å; F179-F199 HydrophobicContact CZ-CD2 4.24Å; F179-F199 AromaticContact CZ-CG 3.98Å; F179-F199 HydrophobicContact CZ-CG 3.98Å; G195-F199 PolarHBondContact O-N 3.33Å; W196-F199 AromaticContact CE3-CD1 3.92Å; W196-F199 HydrophobicContact CE3-CD1 3.92Å; W196-F199 HydrophobicContact CH2-CD1 4.16Å; W196-F199 HydrophobicContact CH2-CE1 4.24Å; W196-F199 AromaticContact CZ3-CD1 3.56Å; W196-F199 HydrophobicContact CZ3-CD1 3.56Å; W196-F199 AromaticContact CZ3-CE1 3.79Å; W196-F199 HydrophobicContact CZ3-CE1 3.79Å; W196-F199 WeakPolarHBondContact O-CB 3.46Å; W196-F199 PolarHBondContact O-N 2.92Å; F199-S201 VanDerWaalsContact C-N 3.32Å; F199-S201 PolarHBondContact O-N 3.01Å; F199-T202 PolarHBondContact O-N 2.82Å; F199-K203 HydrophobicContact CD2-CG 3.87Å; F199-K203 HydrophobicContact CE2-CD 4.48Å; F199-K203 HydrophobicContact CE2-CG 3.69Å; F199-K203 HydrophobicContact CZ-CG 4.29Å; F199-K203 WeakPolarHBondContact O-CB 3.41Å; F199-K203 PolarHBondContact O-N 2.76Å; F199-L205 HydrophobicContact CD1-CD1 3.93Å; F199-L205 HydrophobicContact CE1-CD1 3.49Å; F199-L205 VanDerWaalsContact CE1-CD1 3.49Å; F199-L205 HydrophobicContact CZ-CD1 4.15Å; F199-V211 HydrophobicContact CE1-CG1 4.32Å; F199-V211 HydrophobicContact CE1-CG2 4.3Å; F199-L223 HydrophobicContact CD2-CD2 4.18Å; F199-L223 HydrophobicContact CE1-CD1 4.44Å; F199-L223 HydrophobicContact CE1-CD2 4.3Å; F199-L223 HydrophobicContact CE2-CD2 3.55Å; F199-L223 HydrophobicContact CE2-CG 4.13Å; F199-L223 HydrophobicContact CZ-CD1 3.99Å; F199-L223 HydrophobicContact CZ-CD2 3.63Å; F199-L223 HydrophobicContact CZ-CG 3.87Å; F199-I225 HydrophobicContact CE2-CD1 4.25Å; F199-I225 HydrophobicContact CZ-CD1 3.82Å; F199-I225 HydrophobicContact CZ-CG1 4.04Å
200V96.6Very high95.8Very high15 Ų1541.7 Ų41.79%0.09125%0.249CC..Hα-helixtrans-55.3-45.2175.4168.50000111.8T136 W196 V198 R204 L205T136-V200 HydrophobicContact CG2-CG1 4.4Å; W196-V200 HydrophobicContact CD2-CG2 4.05Å; W196-V200 HydrophobicContact CH2-CG2 4.11Å; W196-V200 HydrophobicContact CZ2-CG2 3.4Å; W196-V200 PolarHBondContact O-N 3.39Å; V198-V200 PolarHBondContact O-N 3.04Å; V200-R204 WeakPolarHBondContact O-CA 3.42Å; V200-R204 PolarHBondContact O-N 2.93Å; V200-L205 HydrophobicContact CG1-CB 4.31Å; V200-L205 HydrophobicContact CG2-CD1 4.47Å; V200-L205 PolarHBondContact O-N 2.8Å
201S95Very high95.8Very high82 Ų8241.3 Ų41.357%0.57325%0.247SC*.Hα-helixtrans-69.3-41.1-179.372.50000113.2S197 V198 F199S197-S201 WeakPolarHBondContact O-CB 3.48Å; S197-S201 PolarHBondContact O-N 3.35Å; S197-S201 PolarHBondContact O-OG 2.91Å; V198-S201 PolarHBondContact O-N 2.95Å; V198-S201 VanDerWaalsContact O-N 3.08Å; V198-S201 PolarHBondContact O-OG 2.74Å; F199-S201 VanDerWaalsContact C-N 3.32Å; F199-S201 PolarHBondContact O-N 3.01Å
202T95.4Very high95.6Very high87 Ų8740.1 Ų40.153%0.53424%0.241SC..Hα-helixtrans-72.9-43.2-178.6-51.80000111.7W177 V198 F199 R204W177-T202 HydrophobicContact CH2-CG2 3.93Å; V198-T202 PolarHBondContact O-N 2.77Å; V198-T202 PolarHBondContact O-OG1 2.93Å; V198-T202 VanDerWaalsContact O-OG1 3.11Å; F199-T202 PolarHBondContact O-N 2.82Å; T202-R204 PolarHBondContact O-N 3Å
203K95.4Very high95.6Very high16 Ų1640.1 Ų40.17%0.0724%0.241CC..THydrogen-bonded Turntrans-82.10.7178-65.8-74.9-171.1171.40113.4D91 D171 W177 F199 L205 I225 R227D91-K203 IonicContact OD1-NZ 3.14Å; D91-K203 PolarHBondContact OD1-NZ 3.35Å; D91-K203 WeakPolarHBondContact OD2-CD 3.39Å; D91-K203 IonicContact OD2-NZ 2.98Å; D91-K203 PolarHBondContact OD2-NZ 2.68Å; D171-K203 VanDerWaalsContact OD2-CE 3.24Å; D171-K203 WeakPolarHBondContact OD2-CE 3.11Å; D171-K203 IonicContact OD2-NZ 2.9Å; D171-K203 PolarHBondContact OD2-NZ 2.93Å; W177-K203 HydrophobicContact CZ2-CG 4.44Å; F199-K203 HydrophobicContact CD2-CG 3.87Å; F199-K203 HydrophobicContact CE2-CD 4.48Å; F199-K203 HydrophobicContact CE2-CG 3.69Å; F199-K203 HydrophobicContact CZ-CG 4.29Å; F199-K203 WeakPolarHBondContact O-CB 3.41Å; F199-K203 PolarHBondContact O-N 2.76Å; K203-L205 HydrophobicContact CB-CD1 4.23Å; K203-L205 HydrophobicContact CB-CD2 4.05Å; K203-L205 HydrophobicContact CB-CG 3.84Å; K203-L205 PolarHBondContact O-N 3.18Å; K203-I225 HydrophobicContact CB-CD1 3.96Å; K203-I225 HydrophobicContact CD-CD1 3.66Å; K203-I225 HydrophobicContact CG-CD1 3.81Å; K203-R227 PolarHBondContact O-NH1 2.66Å; K203-R227 VanDerWaalsContact O-NH1 3.15Å; K203-R227 PolarHBondContact O-NH2 3Å
204R95Very high95.5Very high162 Ų16238.8 Ų38.861%0.61123%0.233SC*.THydrogen-bonded Turntrans48.253.9-178.8-53-176.9-167.5145.47.5112.2E89 V200 T202 R227E89-R204 IonicContact OE1-CZ 2.67Å; E89-R204 IonicContact OE1-NH1 3.69Å; E89-R204 PolarHBondContact OE1-NH1 3.42Å; E89-R204 IonicContact OE1-NH2 2.67Å; E89-R204 PolarHBondContact OE1-NH2 2.83Å; V200-R204 WeakPolarHBondContact O-CA 3.42Å; V200-R204 PolarHBondContact O-N 2.93Å; T202-R204 PolarHBondContact O-N 3Å; R204-R227 PolarHBondContact O-NH1 3.28Å; R204-R227 VanDerWaalsContact O-NH1 3.13Å
205L95.1Very high95.4Very high7 Ų736.5 Ų36.54%0.03721%0.214CC..  trans-85.4138.4-176.6-58.4178.7000111.7L131 F199 V200 K203 D209 V211 I225L131-L205 HydrophobicContact CD1-CB 3.91Å; L131-L205 HydrophobicContact CD1-CD1 4.13Å; F199-L205 HydrophobicContact CD1-CD1 3.93Å; F199-L205 HydrophobicContact CE1-CD1 3.49Å; F199-L205 VanDerWaalsContact CE1-CD1 3.49Å; F199-L205 HydrophobicContact CZ-CD1 4.15Å; V200-L205 HydrophobicContact CG1-CB 4.31Å; V200-L205 HydrophobicContact CG2-CD1 4.47Å; V200-L205 PolarHBondContact O-N 2.8Å; K203-L205 HydrophobicContact CB-CD1 4.23Å; K203-L205 HydrophobicContact CB-CD2 4.05Å; K203-L205 HydrophobicContact CB-CG 3.84Å; K203-L205 PolarHBondContact O-N 3.18Å; L205-D209 WeakPolarHBondContact CA-OD2 3.42Å; L205-V211 HydrophobicContact CD1-CG2 3.89Å; L205-I225 HydrophobicContact CD2-CD1 4.11Å; L205-I225 HydrophobicContact CD2-CG1 4.26Å; L205-I225 HydrophobicContact CD2-CG2 3.79Å
206L94.3Very high95.1Very high102 Ų10236.2 Ų36.253%0.53421%0.207SC..  trans-119.5159.8-178.9-61.1178.8000111.6G208 D209L206-G208 PolarHBondContact O-N 2.74Å; L206-D209 PolarHBondContact N-OD2 2.83Å; L206-D209 VanDerWaalsContact O-CB 3.29Å; L206-D209 WeakPolarHBondContact O-CB 3.38Å; L206-D209 PolarHBondContact O-N 3.26Å
207A94.8Very high94.6Very high39 Ų3944.3 Ų44.332%0.32225%0.245SC..THydrogen-bonded Turntrans-60.6130.7172.300000110.1L131 A133L131-A207 CarbonylContact O-C 3.42Å; L131-A207 VanDerWaalsContact O-CA 3.31Å; L131-A207 WeakPolarHBondContact O-CA 3.41Å; A133-A207 HydrophobicContact CB-CB 4.43Å
208G92.7Very high94.2Very high30 Ų3048.9 Ų48.931%0.30926%0.258SS..THydrogen-bonded Turntrans96.2-22.5-16900000114.8L131 L206L131-G208 PolarHBondContact O-N 2.65Å; L206-G208 PolarHBondContact O-N 2.74Å
209D94.7Very high93.9Very high10 Ų1048.9 Ų48.95%0.05326%0.262CS..  trans-63.8155.2163.6-66.8-27.6000108.8L131 L205 L206 R227 A228L131-D209 WeakPolarHBondContact CB-O 3.43Å; L131-D209 WeakPolarHBondContact CG-O 3.38Å; L131-D209 PolarHBondContact N-O 2.9Å; L205-D209 WeakPolarHBondContact CA-OD2 3.42Å; L206-D209 PolarHBondContact N-OD2 2.83Å; L206-D209 VanDerWaalsContact O-CB 3.29Å; L206-D209 WeakPolarHBondContact O-CB 3.38Å; L206-D209 PolarHBondContact O-N 3.26Å; D209-R227 VanDerWaalsContact OD1-CA 3.3Å; D209-R227 WeakPolarHBondContact OD1-CA 3.18Å; D209-R227 IonicContact OD2-NH1 2.63Å; D209-A228 PolarHBondContact OD1-N 3.31Å
210S94.7Very high93.7Very high15 Ų1552.5 Ų52.511%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-123.1139.4-177.8-57.30000111.4K129 T130 R226K129-S210 WeakPolarHBondContact O-CA 3.29Å; T130-S210 WeakPolarHBondContact CA-OG 3.21Å; T130-S210 PolarHBondContact OG1-OG 2.93Å; S210-R226 PolarHBondContact N-O 3.43Å; S210-R226 PolarHBondContact O-N 2.96Å
211V96.2Very high93.7Very high0 Ų052.5 Ų52.50%028%0.278CS..EExtended strand (participates in β ladder)trans-117.8140.3-178.3174.50000109.6C128 K129 L131 W196 F199 L205 F213 L223 G224C128-V211 WeakPolarHBondContact CA-O 3.14Å; K129-V211 PolarHBondContact N-O 2.91Å; K129-V211 PolarHBondContact O-N 3.19Å; L131-V211 HydrophobicContact CD1-CG2 3.95Å; L131-V211 HydrophobicContact CD2-CB 4.22Å; L131-V211 HydrophobicContact CD2-CG2 3.94Å; L131-V211 HydrophobicContact CG-CG2 4.11Å; W196-V211 HydrophobicContact CH2-CG2 4.17Å; W196-V211 HydrophobicContact CZ3-CG1 4.47Å; F199-V211 HydrophobicContact CE1-CG1 4.32Å; F199-V211 HydrophobicContact CE1-CG2 4.3Å; L205-V211 HydrophobicContact CD1-CG2 3.89Å; V211-F213 HydrophobicContact CG1-CD2 4.38Å; V211-F213 HydrophobicContact CG1-CE2 3.91Å; V211-L223 HydrophobicContact CG1-CD1 3.5Å; V211-G224 WeakPolarHBondContact CA-O 3.44Å
212L95.2Very high93.8Very high0 Ų049 Ų490%025%0.253CS..EExtended strand (participates in β ladder)trans-121.4140.6-175.2-62.492.7000110.4A28 F127 C128 L223 G224 R226A28-L212 HydrophobicContact CB-CD2 4.4Å; A28-L212 WeakPolarHBondContact O-CD2 3.27Å; F127-L212 VanDerWaalsContact O-CA 3.28Å; F127-L212 WeakPolarHBondContact O-CA 3.43Å; C128-L212 HydrophobicContact CB-CD2 3.9Å; C128-L212 HydrophobicContact CB-CG 3.79Å; L212-L223 CarbonylContact O-C 3.59Å; L212-L223 WeakPolarHBondContact O-CA 3.3Å; L212-L223 VanDerWaalsContact O-CD1 3.31Å; L212-L223 WeakPolarHBondContact O-CD1 3.25Å; L212-G224 PolarHBondContact N-O 2.89Å; L212-G224 PolarHBondContact O-N 3.05Å; L212-R226 HydrophobicContact CD1-CB 4.44Å; L212-R226 HydrophobicContact CD1-CG 3.85Å
213F96.8Very high93.8Very high0 Ų045 Ų450%023%0.228CC..EExtended strand (participates in β ladder)trans-123.1132.9164.7-69.7-99.7000108.6F126 F127 F142 I152 F153 A169 F179 L192 V211 L221 L222 L223F126-F213 CarbonylContact C-O 3.55Å; F126-F213 VanDerWaalsContact CA-O 3.26Å; F126-F213 WeakPolarHBondContact CA-O 3.3Å; F127-F213 HydrophobicContact CD1-CB 4.14Å; F127-F213 HydrophobicContact CE1-CB 3.64Å; F127-F213 AromaticContact CE1-CD2 3.99Å; F127-F213 HydrophobicContact CE1-CD2 3.99Å; F127-F213 HydrophobicContact CE1-CG 4.1Å; F127-F213 AromaticContact CE2-CD2 3.81Å; F127-F213 HydrophobicContact CE2-CD2 3.81Å; F127-F213 HydrophobicContact CZ-CB 3.9Å; F127-F213 AromaticContact CZ-CD2 3.33Å; F127-F213 HydrophobicContact CZ-CD2 3.33Å; F127-F213 HydrophobicContact CZ-CE2 4.11Å; F127-F213 AromaticContact CZ-CG 3.9Å; F127-F213 HydrophobicContact CZ-CG 3.9Å; F127-F213 PolarHBondContact N-O 2.88Å; F127-F213 PolarHBondContact O-N 2.83Å; F127-F213 VanDerWaalsContact O-N 3.09Å; F142-F213 HydrophobicContact CE1-CE2 4.35Å; I152-F213 HydrophobicContact CG2-CB 4.12Å; F153-F213 HydrophobicContact CE1-CB 4.12Å; F153-F213 AromaticContact CE1-CD1 3.79Å; F153-F213 HydrophobicContact CE1-CD1 3.79Å; F153-F213 HydrophobicContact CE1-CE1 4.29Å; F153-F213 AromaticContact CE1-CG 3.91Å; F153-F213 HydrophobicContact CE1-CG 3.91Å; F153-F213 HydrophobicContact CZ-CD1 4.19Å; F153-F213 HydrophobicContact CZ-CD2 4.32Å; F153-F213 HydrophobicContact CZ-CE1 4.37Å; F153-F213 HydrophobicContact CZ-CE2 4.5Å; F153-F213 HydrophobicContact CZ-CG 4.16Å; A169-F213 HydrophobicContact CB-CD1 4.32Å; A169-F213 HydrophobicContact CB-CE1 4.14Å; F179-F213 HydrophobicContact CD2-CE1 4.49Å; F179-F213 HydrophobicContact CE2-CE1 4.32Å; F179-F213 HydrophobicContact CE2-CZ 4.46Å; L192-F213 HydrophobicContact CD1-CE1 4.44Å; L192-F213 HydrophobicContact CD1-CE2 4.16Å; L192-F213 HydrophobicContact CD1-CZ 3.64Å; V211-F213 HydrophobicContact CG1-CD2 4.38Å; V211-F213 HydrophobicContact CG1-CE2 3.91Å; F213-L221 HydrophobicContact CB-CD1 4.35Å; F213-L221 HydrophobicContact CD1-CD1 4.23Å; F213-L221 HydrophobicContact CD1-CG 4.39Å; F213-L222 VanDerWaalsContact CA-O 3.31Å; F213-L222 WeakPolarHBondContact CA-O 3.4Å; F213-L223 HydrophobicContact CD1-CD1 4.2Å; F213-L223 HydrophobicContact CD2-CD1 4.25Å; F213-L223 HydrophobicContact CE1-CD1 3.85Å; F213-L223 HydrophobicContact CE1-CD2 4.39Å; F213-L223 HydrophobicContact CE2-CD1 3.91Å; F213-L223 HydrophobicContact CG-CD1 4.4Å; F213-L223 HydrophobicContact CZ-CD1 3.7Å
214I95.2Very high93.9Very high0 Ų044.2 Ų44.20%023%0.225CC..EExtended strand (participates in β ladder)trans-127.4158.1179.586.4162.6000110.7E24 L25 A28 P123 E125 F126 L222E24-I214 HydrophobicContact CB-CD1 3.83Å; L25-I214 HydrophobicContact CB-CD1 4.03Å; L25-I214 HydrophobicContact CD1-CD1 4.26Å; L25-I214 HydrophobicContact CD1-CG1 4.15Å; L25-I214 HydrophobicContact CD1-CG2 4.39Å; A28-I214 HydrophobicContact CB-CG2 3.96Å; P123-I214 HydrophobicContact CB-CB 4.43Å; P123-I214 HydrophobicContact CB-CD1 4.02Å; P123-I214 HydrophobicContact CG-CB 4.25Å; P123-I214 HydrophobicContact CG-CD1 3.94Å; P123-I214 HydrophobicContact CG-CG2 4.15Å; E125-I214 CarbonylContact O-C 3.55Å; E125-I214 VanDerWaalsContact O-CA 3.29Å; E125-I214 WeakPolarHBondContact O-CA 3.4Å; F126-I214 HydrophobicContact CB-CB 3.98Å; F126-I214 HydrophobicContact CB-CG2 3.55Å; I214-L222 HydrophobicContact CD1-CD1 4.34Å; I214-L222 HydrophobicContact CG1-CB 3.83Å; I214-L222 HydrophobicContact CG1-CD1 4.28Å; I214-L222 HydrophobicContact CG1-CG 4.48Å; I214-L222 PolarHBondContact N-O 2.72Å; I214-L222 PolarHBondContact O-N 2.87Å
215R93.3Very high93.9Very high47 Ų4736.9 Ų36.918%0.17720%0.198CC..EExtended strand (participates in β ladder)trans-100136.7153.5-63.4-61.9-178.4135.89.4108.8E125 I152 S219 Q220E125-R215 HydrophobicContact CB-CB 4.07Å; E125-R215 HydrophobicContact CB-CG 4.48Å; E125-R215 PolarHBondContact O-N 2.93Å; I152-R215 VanDerWaalsContact O-CZ 3.27Å; I152-R215 PolarHBondContact O-NE 2.86Å; I152-R215 PolarHBondContact O-NH2 2.96Å; R215-S219 PolarHBondContact NH1-O 2.87Å; R215-Q220 WeakPolarHBondContact CA-O 3.43Å
216D89.5Confident93.9Very high12 Ų1236.9 Ų36.96%0.06420%0.198CC..  trans-85.4173.7168.577.5-13.1000111.1N22 E24 K218 S219 Q220 L222N22-D216 PolarHBondContact ND2-OD2 3.48Å; E24-D216 WeakPolarHBondContact OE1-CA 3.47Å; E24-D216 VanDerWaalsContact OE1-CB 3.3Å; E24-D216 WeakPolarHBondContact OE1-CB 3.41Å; D216-K218 PolarHBondContact O-N 3.13Å; D216-K218 VanDerWaalsContact OD1-C 3.29Å; D216-K218 WeakPolarHBondContact OD1-CA 3.31Å; D216-K218 WeakPolarHBondContact OD1-CB 3.43Å; D216-K218 PolarHBondContact OD1-N 3.15Å; D216-S219 WeakPolarHBondContact O-CA 3.41Å; D216-S219 PolarHBondContact O-N 3.12Å; D216-S219 PolarHBondContact OD1-N 3.02Å; D216-Q220 PolarHBondContact N-O 3.15Å; D216-Q220 WeakPolarHBondContact OD1-CB 3.4Å; D216-Q220 PolarHBondContact OD1-N 2.65Å; D216-L222 HydrophobicContact CB-CD1 3.86Å
217E87.4Confident93.7Very high171 Ų17135 Ų3580%0.79918%0.184SC*.THydrogen-bonded Turntrans-51.3-18.2173.6-72.1173.8176.400114.2E24E24-E217 PolarHBondContact OE1-N 3.1Å
218K88.2Confident93.4Very high150 Ų15034.7 Ų34.765%0.65218%0.181SC*.THydrogen-bonded Turntrans-102.112.2-179.8-60.4156.5-170158.40112.2D216 Q220D216-K218 PolarHBondContact O-N 3.13Å; D216-K218 VanDerWaalsContact OD1-C 3.29Å; D216-K218 WeakPolarHBondContact OD1-CA 3.31Å; D216-K218 WeakPolarHBondContact OD1-CB 3.43Å; D216-K218 PolarHBondContact OD1-N 3.15Å; K218-Q220 HydrophobicContact CB-CG 4.26Å; K218-Q220 PolarHBondContact O-N 3.2Å; K218-Q220 VanDerWaalsContact O-N 3.15Å
219S89.7Confident92.7Very high81 Ų8139 Ų3957%0.56621%0.206SC*.  trans56.719.8-175.2-55.20000114.6R215 D216R215-S219 PolarHBondContact NH1-O 2.87Å; D216-S219 WeakPolarHBondContact O-CA 3.41Å; D216-S219 PolarHBondContact O-N 3.12Å; D216-S219 PolarHBondContact OD1-N 3.02Å
220Q92.8Very high91.6Very high77 Ų7744.7 Ų44.736%0.3623%0.227SC..  trans-74.8136.2174.4-59.7-168.529.700109.6R215 D216 K218 L222R215-Q220 WeakPolarHBondContact CA-O 3.43Å; D216-Q220 PolarHBondContact N-O 3.15Å; D216-Q220 WeakPolarHBondContact OD1-CB 3.4Å; D216-Q220 PolarHBondContact OD1-N 2.65Å; K218-Q220 HydrophobicContact CB-CG 4.26Å; K218-Q220 PolarHBondContact O-N 3.2Å; K218-Q220 VanDerWaalsContact O-N 3.15Å; Q220-L222 HydrophobicContact CB-CD2 4.46Å; Q220-L222 PolarHBondContact O-N 3.36Å
221L96.4Very high89.8Confident15 Ų1549.7 Ų49.78%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-76.8123.1173.4-174.566.6000109I152 F153 L167 A169 K170 F213I152-L221 HydrophobicContact CG2-CD1 3.78Å; F153-L221 HydrophobicContact CD1-CD1 4.05Å; F153-L221 HydrophobicContact CD1-CD2 4.15Å; F153-L221 HydrophobicContact CE1-CD1 4.11Å; F153-L221 HydrophobicContact CE1-CD2 4.25Å; L167-L221 HydrophobicContact CB-CD2 4.13Å; L167-L221 HydrophobicContact CD1-CD2 4.37Å; A169-L221 VanDerWaalsContact CA-O 3.29Å; A169-L221 WeakPolarHBondContact CA-O 3.41Å; A169-L221 HydrophobicContact CB-CD2 3.99Å; A169-L221 HydrophobicContact CB-CG 3.86Å; K170-L221 PolarHBondContact N-O 2.86Å; F213-L221 HydrophobicContact CB-CD1 4.35Å; F213-L221 HydrophobicContact CD1-CD1 4.23Å; F213-L221 HydrophobicContact CD1-CG 4.39Å
222L96.8Very high87.9Confident8 Ų855.5 Ų55.54%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-124.3158.5-179.3-57.8179.9000110.8N22 L25 K170 F213 I214 D216 Q220N22-L222 HydrophobicContact CB-CD1 4.11Å; N22-L222 WeakPolarHBondContact ND2-CD1 3.22Å; L25-L222 HydrophobicContact CB-CD1 4.18Å; L25-L222 HydrophobicContact CD1-CB 4.01Å; L25-L222 HydrophobicContact CD2-CB 4.15Å; K170-L222 HydrophobicContact CB-CD2 3.79Å; K170-L222 HydrophobicContact CD-CD2 4.31Å; K170-L222 HydrophobicContact CG-CD2 4.46Å; K170-L222 CarbonylContact O-C 3.58Å; K170-L222 WeakPolarHBondContact O-CA 3.43Å; F213-L222 VanDerWaalsContact CA-O 3.31Å; F213-L222 WeakPolarHBondContact CA-O 3.4Å; I214-L222 HydrophobicContact CD1-CD1 4.34Å; I214-L222 HydrophobicContact CG1-CB 3.83Å; I214-L222 HydrophobicContact CG1-CD1 4.28Å; I214-L222 HydrophobicContact CG1-CG 4.48Å; I214-L222 PolarHBondContact N-O 2.72Å; I214-L222 PolarHBondContact O-N 2.87Å; D216-L222 HydrophobicContact CB-CD1 3.86Å; Q220-L222 HydrophobicContact CB-CD2 4.46Å; Q220-L222 PolarHBondContact O-N 3.36Å
223L96.5Very high85.8Confident2 Ų260.1 Ų60.11%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-133.6123.3-167.4175.552.5000111.2A169 K170 D171 W177 F179 F199 V211 L212 F213A169-L223 HydrophobicContact CB-CB 3.92Å; A169-L223 HydrophobicContact CB-CD2 4.46Å; K170-L223 PolarHBondContact O-N 3.28Å; D171-L223 WeakPolarHBondContact CA-O 3.24Å; W177-L223 HydrophobicContact CB-CD2 4.17Å; W177-L223 HydrophobicContact CG-CD2 4.24Å; F179-L223 HydrophobicContact CE2-CD2 3.63Å; F179-L223 HydrophobicContact CZ-CD2 3.63Å; F199-L223 HydrophobicContact CD2-CD2 4.18Å; F199-L223 HydrophobicContact CE1-CD1 4.44Å; F199-L223 HydrophobicContact CE1-CD2 4.3Å; F199-L223 HydrophobicContact CE2-CD2 3.55Å; F199-L223 HydrophobicContact CE2-CG 4.13Å; F199-L223 HydrophobicContact CZ-CD1 3.99Å; F199-L223 HydrophobicContact CZ-CD2 3.63Å; F199-L223 HydrophobicContact CZ-CG 3.87Å; V211-L223 HydrophobicContact CG1-CD1 3.5Å; L212-L223 CarbonylContact O-C 3.59Å; L212-L223 WeakPolarHBondContact O-CA 3.3Å; L212-L223 VanDerWaalsContact O-CD1 3.31Å; L212-L223 WeakPolarHBondContact O-CD1 3.25Å; F213-L223 HydrophobicContact CD1-CD1 4.2Å; F213-L223 HydrophobicContact CD2-CD1 4.25Å; F213-L223 HydrophobicContact CE1-CD1 3.85Å; F213-L223 HydrophobicContact CE1-CD2 4.39Å; F213-L223 HydrophobicContact CE2-CD1 3.91Å; F213-L223 HydrophobicContact CG-CD1 4.4Å; F213-L223 HydrophobicContact CZ-CD1 3.7Å
224G96.6Very high83.5Confident1 Ų164.1 Ų64.11%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-120.9158.4-178.600000113.1C29 V211 L212C29-G224 WeakPolarHBondContact SG-CA 3.43Å; V211-G224 WeakPolarHBondContact CA-O 3.44Å; L212-G224 PolarHBondContact N-O 2.89Å; L212-G224 PolarHBondContact O-N 3.05Å
225I95.9Very high81.4Confident7 Ų770.6 Ų70.64%0.03638%0.383CS..EExtended strand (participates in β ladder)trans-129138176.2-66.5159.3000108.2D91 F199 K203 L205 R227D91-I225 HydrophobicContact CB-CB 4.22Å; D91-I225 HydrophobicContact CB-CD1 4.26Å; F199-I225 HydrophobicContact CE2-CD1 4.25Å; F199-I225 HydrophobicContact CZ-CD1 3.82Å; F199-I225 HydrophobicContact CZ-CG1 4.04Å; K203-I225 HydrophobicContact CB-CD1 3.96Å; K203-I225 HydrophobicContact CD-CD1 3.66Å; K203-I225 HydrophobicContact CG-CD1 3.81Å; L205-I225 HydrophobicContact CD2-CD1 4.11Å; L205-I225 HydrophobicContact CD2-CG1 4.26Å; L205-I225 HydrophobicContact CD2-CG2 3.79Å; I225-R227 HydrophobicContact CG2-CG 4.24Å
226R93.6Very high79Confident8 Ų874.5 Ų74.53%0.0342%0.417CS..EExtended strand (participates in β ladder)trans-124.3120.4162.1-67.7-173.4-162159.818.9107.9A28 C29 S210 L212 E302 S306A28-R226 VanDerWaalsContact O-CZ 3.28Å; A28-R226 PolarHBondContact O-NE 2.64Å; A28-R226 PolarHBondContact O-NH2 3.14Å; C29-R226 VanDerWaalsContact O-CG 3.31Å; C29-R226 WeakPolarHBondContact O-CG 3.33Å; C29-R226 PolarHBondContact O-NE 2.98Å; S210-R226 PolarHBondContact N-O 3.43Å; S210-R226 PolarHBondContact O-N 2.96Å; L212-R226 HydrophobicContact CD1-CB 4.44Å; L212-R226 HydrophobicContact CD1-CG 3.85Å; R226-E302 IonicContact CZ-OE1 3.97Å; R226-E302 IonicContact NH1-OE1 2.72Å; R226-E302 PolarHBondContact NH1-OE1 2.94Å; R226-E302 IonicContact NH1-OE2 3.28Å; R226-S306 VanDerWaalsContact NH1-CB 3.34Å; R226-S306 PolarHBondContact NH1-OG 3.19Å
227R91.4Very high77.3Confident63 Ų6378.6 Ų78.624%0.23845%0.447CS..  trans-78151.5178.3-64.4-170.6-174.1-85.3-4.1112T90 K203 R204 D209 I225T90-R227 PolarHBondContact O-NE 2.83Å; T90-R227 PolarHBondContact O-NH2 2.87Å; T90-R227 VanDerWaalsContact O-NH2 3.15Å; K203-R227 PolarHBondContact O-NH1 2.66Å; K203-R227 VanDerWaalsContact O-NH1 3.15Å; K203-R227 PolarHBondContact O-NH2 3Å; R204-R227 PolarHBondContact O-NH1 3.28Å; R204-R227 VanDerWaalsContact O-NH1 3.13Å; D209-R227 VanDerWaalsContact OD1-CA 3.3Å; D209-R227 WeakPolarHBondContact OD1-CA 3.18Å; D209-R227 IonicContact OD2-NH1 2.63Å; I225-R227 HydrophobicContact CG2-CG 4.24Å
228A88.6Confident76Confident32 Ų3273.8 Ų73.826%0.26443%0.432SS..  trans-66.9133.7171.400000110.8D209 R230D209-A228 PolarHBondContact OD1-N 3.31Å; A228-R230 PolarHBondContact O-N 3.21Å
229S76.7Confident75.3Confident119 Ų11973.5 Ų73.583%0.83244%0.443SS*.  trans-65.793.5168.8-56.30000109.9
230R71.4Confident75Confident131 Ų13174.3 Ų74.349%0.49444%0.44SS..  trans-114140.1178.2-173.4176.2-60-78-2.2109.3A228 Q232A228-R230 PolarHBondContact O-N 3.21Å; R230-Q232 PolarHBondContact O-N 3.35Å
231P58.6Low74.7Confident120 Ų12073.5 Ų73.578%0.77944%0.443SS*.  trans-6198.2167-21.433.5000109.8
232Q55.7Low74.1Confident121 Ų12173 Ų7357%0.56544%0.441SS*.  trans-71.2140.4168-72-72.49.200108.4R230 A234R230-Q232 PolarHBondContact O-N 3.35Å; Q232-A234 PolarHBondContact O-N 3.46Å; Q232-A234 VanDerWaalsContact O-N 3.15Å
233P50.9Low73.6Confident98 Ų9877.8 Ų77.864%0.63647%0.466SS*.  trans-56122.8164.7-18.731.2000107.9L235P233-L235 WeakPolarHBondContact O-CG 3.25Å; P233-L235 PolarHBondContact O-N 3.25Å
234A48.2Very low73.3Confident83 Ų8380.3 Ų80.369%0.68648%0.484SS*.  trans-59.897.3-170.300000111.4Q232 S236Q232-A234 PolarHBondContact O-N 3.46Å; Q232-A234 VanDerWaalsContact O-N 3.15Å; A234-S236 PolarHBondContact O-N 3.09Å
235L51.9Low73.1Confident136 Ų13683.2 Ų83.271%0.71250%0.498SS*.  trans-68.3119.3-176.6-65-176.6000108.9P233 S237P233-L235 WeakPolarHBondContact O-CG 3.25Å; P233-L235 PolarHBondContact O-N 3.25Å; L235-S237 PolarHBondContact O-N 3.14Å
236S42.8Very low72.9Confident130 Ų13083.1 Ų83.191%0.90950%0.498SS*.SBendtrans-76.747.7-171.6-175.10000113.3A234A234-S236 PolarHBondContact O-N 3.09Å
237S54.2Low72.8Confident98 Ų9887.5 Ų87.569%0.68552%0.521SS*.  trans-95.3-1.9176.158.40000113.8L235 V239L235-S237 PolarHBondContact O-N 3.14Å; S237-V239 PolarHBondContact O-N 2.98Å
238S59.4Low72.9Confident70 Ų7086.3 Ų86.349%0.4953%0.528SS..  trans-63.9106.6179.5-66.10000111.5L240S238-L240 WeakPolarHBondContact CB-O 3.48Å; S238-L240 PolarHBondContact O-N 3.36Å; S238-L240 VanDerWaalsContact O-N 3.16Å
239V74.3Confident73.2Confident144 Ų14486.4 Ų86.487%0.87352%0.524SS*.SBendtrans-61.1-21178.6-179.70000112.8S237S237-V239 PolarHBondContact O-N 2.98Å
240L82.8Confident74.1Confident98 Ų9880.9 Ų80.951%0.51349%0.485SS..SBendtrans-125.4150.5177.9-61.7177000109.7S238S238-L240 WeakPolarHBondContact CB-O 3.48Å; S238-L240 PolarHBondContact O-N 3.36Å; S238-L240 VanDerWaalsContact O-N 3.16Å
241S85.2Confident75.3Confident59 Ų5976.1 Ų76.141%0.41347%0.474SS..  trans-66.8157.1168.381.20000110.6D243 S244 M245S241-D243 VanDerWaalsContact C-N 3.26Å; S241-D243 PolarHBondContact O-N 2.91Å; S241-S244 WeakPolarHBondContact O-CB 3.42Å; S241-S244 PolarHBondContact O-N 2.9Å; S241-S244 VanDerWaalsContact O-N 3.08Å; S241-S244 WeakPolarHBondContact OG-CB 3.43Å; S241-S244 PolarHBondContact OG-N 3.28Å; S241-S244 VanDerWaalsContact OG-N 3.15Å; S241-S244 PolarHBondContact OG-OG 2.98Å; S241-M245 PolarHBondContact O-N 2.76Å
242S85.1Confident77.1Confident6 Ų672.6 Ų72.64%0.04246%0.455CS..Hα-helixtrans-57.7-42.4177.5-167.90000111.6M58 S244 M245 H246M58-S242 VanDerWaalsContact SD-CA 3.52Å; M58-S242 WeakPolarHBondContact SD-CB 3.45Å; M58-S242 PolarHBondContact SD-OG 2.99Å; S242-S244 VanDerWaalsContact C-N 3.3Å; S242-S244 PolarHBondContact O-N 2.67Å; S242-M245 PolarHBondContact O-N 2.97Å; S242-M245 VanDerWaalsContact O-N 3.15Å; S242-H246 PolarHBondContact O-N 3.48Å; S242-H246 PolarHBondContact O-ND1 3.28Å; S242-H246 PolarHBondContact OG-CE1 3.47Å
243D86.4Confident79.1Confident107 Ų10766.9 Ų66.957%0.57243%0.428SS*.Hα-helixtrans-62.7-39.7177.6-36.6-30.2000110.7S241 M245 H246 I247S241-D243 VanDerWaalsContact C-N 3.26Å; S241-D243 PolarHBondContact O-N 2.91Å; D243-M245 VanDerWaalsContact C-N 3.34Å; D243-M245 PolarHBondContact O-N 3.38Å; D243-H246 PolarHBondContact O-N 2.85Å; D243-I247 VanDerWaalsContact O-CB 3.31Å; D243-I247 WeakPolarHBondContact O-CB 3.34Å; D243-I247 WeakPolarHBondContact O-CD1 3.3Å; D243-I247 WeakPolarHBondContact O-CG1 3.49Å; D243-I247 PolarHBondContact O-N 2.67Å
244S90.6Very high81.3Confident56 Ų5662.4 Ų62.439%0.39240%0.399SS..Hα-helixtrans-66.4-35.7176.4-55.70000112.1S241 S242 G248S241-S244 WeakPolarHBondContact O-CB 3.42Å; S241-S244 PolarHBondContact O-N 2.9Å; S241-S244 VanDerWaalsContact O-N 3.08Å; S241-S244 WeakPolarHBondContact OG-CB 3.43Å; S241-S244 PolarHBondContact OG-N 3.28Å; S241-S244 VanDerWaalsContact OG-N 3.15Å; S241-S244 PolarHBondContact OG-OG 2.98Å; S242-S244 VanDerWaalsContact C-N 3.3Å; S242-S244 PolarHBondContact O-N 2.67Å; S244-G248 PolarHBondContact O-N 3.2Å
245M91.3Very high83.6Confident61 Ų6163.3 Ų63.330%0.339%0.389SS..Hα-helixtrans-68.8-46.6176.1-165.1178.5-61.600111.5V54 M58 S241 S242 D243 G248 I249V54-M245 HydrophobicContact CG1-CB 4.24Å; V54-M245 HydrophobicContact CG1-CG 3.97Å; V54-M245 HydrophobicContact CG1-SD 3.68Å; V54-M245 HydrophobicContact CG2-SD 4.42Å; M58-M245 HydrophobicContact CE-CE 4.38Å; M58-M245 HydrophobicContact SD-CE 4.04Å; M58-M245 HydrophobicContact SD-SD 4.1Å; S241-M245 PolarHBondContact O-N 2.76Å; S242-M245 PolarHBondContact O-N 2.97Å; S242-M245 VanDerWaalsContact O-N 3.15Å; D243-M245 VanDerWaalsContact C-N 3.34Å; D243-M245 PolarHBondContact O-N 3.38Å; M245-G248 PolarHBondContact O-N 3.42Å; M245-I249 HydrophobicContact CG-CD1 4.22Å; M245-I249 PolarHBondContact O-N 2.82Å
246H91.6Very high85.8Confident6 Ų656.8 Ų56.83%0.02836%0.355CS..Hα-helixtrans-60-49.1174-71102.8000111.9S51 P66 S242 D243 G248 I249 L250S51-H246 PolarHBondContact O-NE2 3.1Å; P66-H246 HydrophobicContact CG-CB 3.8Å; S242-H246 PolarHBondContact O-N 3.48Å; S242-H246 PolarHBondContact O-ND1 3.28Å; S242-H246 PolarHBondContact OG-CE1 3.47Å; D243-H246 PolarHBondContact O-N 2.85Å; H246-G248 VanDerWaalsContact C-N 3.32Å; H246-G248 PolarHBondContact O-N 2.9Å; H246-I249 PolarHBondContact O-N 3.12Å; H246-L250 VanDerWaalsContact O-CG 3.3Å; H246-L250 WeakPolarHBondContact O-CG 3.47Å; H246-L250 PolarHBondContact O-N 3.17Å
247I92.5Very high88.3Confident99 Ų9951.7 Ų51.751%0.50832%0.321SS..Hα-helixtrans-60.1-43.3177.3-69.8164.9000110.6D243 L250 A251D243-I247 VanDerWaalsContact O-CB 3.31Å; D243-I247 WeakPolarHBondContact O-CB 3.34Å; D243-I247 WeakPolarHBondContact O-CD1 3.3Å; D243-I247 WeakPolarHBondContact O-CG1 3.49Å; D243-I247 PolarHBondContact O-N 2.67Å; I247-L250 PolarHBondContact O-N 2.84Å; I247-A251 WeakPolarHBondContact O-CB 3.3Å; I247-A251 PolarHBondContact O-N 2.78Å
248G93.4Very high90.3Very high39 Ų3950.9 Ų50.940%0.40232%0.32SS..Hα-helixtrans-60.5-45.2178.500000113.1S244 M245 H246 A252S244-G248 PolarHBondContact O-N 3.2Å; M245-G248 PolarHBondContact O-N 3.42Å; H246-G248 VanDerWaalsContact C-N 3.32Å; H246-G248 PolarHBondContact O-N 2.9Å; G248-A252 VanDerWaalsContact O-CB 3.27Å; G248-A252 WeakPolarHBondContact O-CB 3.15Å; G248-A252 PolarHBondContact O-N 3.38Å
249I94.1Very high92Very high33 Ų3352.3 Ų52.317%0.16932%0.322CS..Hα-helixtrans-66.3-43.9178.5-78.9162.9000111.9H50 V54 M245 H246 A252 A253H50-I249 HydrophobicContact CB-CG2 4.5Å; H50-I249 VanDerWaalsContact ND1-CG2 3.28Å; H50-I249 WeakPolarHBondContact ND1-CG2 3.47Å; V54-I249 HydrophobicContact CG2-CD1 3.37Å; M245-I249 HydrophobicContact CG-CD1 4.22Å; M245-I249 PolarHBondContact O-N 2.82Å; H246-I249 PolarHBondContact O-N 3.12Å; I249-A252 PolarHBondContact O-N 3.06Å; I249-A253 WeakPolarHBondContact O-CB 3.5Å; I249-A253 PolarHBondContact O-N 2.85Å
250L95.7Very high93Very high3 Ų347.6 Ų47.62%0.01630%0.296CS..Hα-helixtrans-68.8-40.2178.1-63.4174000111.6P47 P66 Y68 L71 H246 I247 A253 A254 W326P47-L250 HydrophobicContact CB-CD2 3.7Å; P66-L250 HydrophobicContact CB-CD1 4.09Å; P66-L250 HydrophobicContact CG-CD1 3.96Å; P66-L250 VanDerWaalsContact O-CD1 3.22Å; P66-L250 WeakPolarHBondContact O-CD1 3.41Å; Y68-L250 HydrophobicContact CD2-CB 4.47Å; L71-L250 HydrophobicContact CD2-CB 4.21Å; L71-L250 HydrophobicContact CD2-CD2 3.83Å; H246-L250 VanDerWaalsContact O-CG 3.3Å; H246-L250 WeakPolarHBondContact O-CG 3.47Å; H246-L250 PolarHBondContact O-N 3.17Å; I247-L250 PolarHBondContact O-N 2.84Å; L250-A253 PolarHBondContact O-N 2.97Å; L250-A254 VanDerWaalsContact O-CB 3.3Å; L250-A254 WeakPolarHBondContact O-CB 3.38Å; L250-A254 PolarHBondContact O-N 2.71Å; L250-W326 HydrophobicContact CD2-CH2 4.1Å; L250-W326 HydrophobicContact CD2-CZ2 4.06Å
251A96.2Very high93.7Very high31 Ų3144.4 Ų44.426%0.25628%0.281SS..Hα-helixtrans-65.7-39.5175.500000112.2Y68 I247 A254 H255Y68-A251 HydrophobicContact CD2-CB 4.35Å; Y68-A251 HydrophobicContact CE2-CB 3.81Å; I247-A251 WeakPolarHBondContact O-CB 3.3Å; I247-A251 PolarHBondContact O-N 2.78Å; A251-A254 PolarHBondContact O-N 2.9Å; A251-H255 WeakPolarHBondContact O-CB 3.26Å; A251-H255 PolarHBondContact O-N 2.91Å
252A97.1Very high94.3Very high47 Ų4744.6 Ų44.639%0.38828%0.282SS..Hα-helixtrans-63.3-45.317500000111.7G248 I249 H255 A256G248-A252 VanDerWaalsContact O-CB 3.27Å; G248-A252 WeakPolarHBondContact O-CB 3.15Å; G248-A252 PolarHBondContact O-N 3.38Å; I249-A252 PolarHBondContact O-N 3.06Å; A252-H255 PolarHBondContact O-N 2.87Å; A252-A256 WeakPolarHBondContact O-CB 3.49Å; A252-A256 PolarHBondContact O-N 3.42Å
253A97.5Very high94.9Very high0 Ų045.1 Ų45.10%028%0.283CS..Hα-helixtrans-64.6-39.2175.400000112.6Y45 L71 L75 I249 L250 A256 A257 F263Y45-A253 HydrophobicContact CE1-CB 3.8Å; L71-A253 HydrophobicContact CD1-CB 3.97Å; L71-A253 HydrophobicContact CD2-CB 3.99Å; L75-A253 HydrophobicContact CD1-CB 4.43Å; I249-A253 WeakPolarHBondContact O-CB 3.5Å; I249-A253 PolarHBondContact O-N 2.85Å; L250-A253 PolarHBondContact O-N 2.97Å; A253-A256 PolarHBondContact O-N 3.39Å; A253-A257 WeakPolarHBondContact O-CB 3.16Å; A253-A257 PolarHBondContact O-N 3.04Å; A253-F263 HydrophobicContact CB-CE2 4.31Å
254A97Very high95.5Very high4 Ų443 Ų433%0.03327%0.274CS..Hα-helixtrans-65.9-42.6175.900000112.2Y68 L71 L250 A251 A257 A258Y68-A254 HydrophobicContact CD1-CB 3.4Å; Y68-A254 HydrophobicContact CE1-CB 3.59Å; Y68-A254 HydrophobicContact CG-CB 4.07Å; L71-A254 HydrophobicContact CB-CB 4.17Å; L250-A254 VanDerWaalsContact O-CB 3.3Å; L250-A254 WeakPolarHBondContact O-CB 3.38Å; L250-A254 PolarHBondContact O-N 2.71Å; A251-A254 PolarHBondContact O-N 2.9Å; A254-A257 PolarHBondContact O-N 2.9Å; A254-A258 WeakPolarHBondContact O-CB 3.4Å; A254-A258 PolarHBondContact O-N 3.41Å
255H96.8Very high95.8Very high102 Ų10240.4 Ų40.447%0.47226%0.256SS..Hα-helixtrans-62.4-43.7174.1-178.2-76.6000111.5A251 A252 A258 N259A251-H255 WeakPolarHBondContact O-CB 3.26Å; A251-H255 PolarHBondContact O-N 2.91Å; A252-H255 PolarHBondContact O-N 2.87Å; H255-A258 PolarHBondContact O-N 3.06Å; H255-N259 PolarHBondContact CE1-ND2 2.95Å; H255-N259 PolarHBondContact NE2-ND2 2.96Å; H255-N259 WeakPolarHBondContact O-CB 3.43Å; H255-N259 PolarHBondContact O-N 2.9Å; H255-N259 PolarHBondContact O-ND2 3.07Å
256A97.3Very high96Very high0 Ų042.3 Ų42.30%026%0.262CS..Hα-helixtrans-61.9-44.2176.600000112.3P101 A252 A253 S260 S261 F263P101-A256 HydrophobicContact CG-CB 3.97Å; A252-A256 WeakPolarHBondContact O-CB 3.49Å; A252-A256 PolarHBondContact O-N 3.42Å; A253-A256 PolarHBondContact O-N 3.39Å; A256-S260 VanDerWaalsContact O-CA 3.24Å; A256-S260 WeakPolarHBondContact O-CA 3.33Å; A256-S260 PolarHBondContact O-N 2.9Å; A256-S261 WeakPolarHBondContact CB-O 3.3Å; A256-S261 PolarHBondContact O-N 3.44Å; A256-F263 HydrophobicContact CB-CB 3.95Å; A256-F263 HydrophobicContact CB-CD1 3.32Å; A256-F263 HydrophobicContact CB-CE1 3.96Å; A256-F263 HydrophobicContact CB-CG 3.78Å
257A96.2Very high96.2Very high23 Ų2342.6 Ų42.619%0.1926%0.264CS..Hα-helixtrans-62.7-44.2177.100000112.1L75 A253 A254L75-A257 HydrophobicContact CD1-CB 4.04Å; L75-A257 HydrophobicContact CD2-CB 3.65Å; A253-A257 WeakPolarHBondContact O-CB 3.16Å; A253-A257 PolarHBondContact O-N 3.04Å; A254-A257 PolarHBondContact O-N 2.9Å
258A96Very high96.3Very high81 Ų8138.9 Ų38.967%0.66925%0.245SC*.Hα-helixtrans-67-37.3-179.900000113.3A254 H255A254-A258 WeakPolarHBondContact O-CB 3.4Å; A254-A258 PolarHBondContact O-N 3.41Å; H255-A258 PolarHBondContact O-N 3.06Å
259N95.9Very high96.3Very high100 Ų10037.2 Ų37.254%0.53523%0.227SC..Hα-helixtrans-102.3-1-174.1-63.1-79.8000114.1H255 S261H255-N259 PolarHBondContact CE1-ND2 2.95Å; H255-N259 PolarHBondContact NE2-ND2 2.96Å; H255-N259 WeakPolarHBondContact O-CB 3.43Å; H255-N259 PolarHBondContact O-N 2.9Å; H255-N259 PolarHBondContact O-ND2 3.07Å; N259-S261 PolarHBondContact O-N 3.31Å; N259-S261 VanDerWaalsContact O-N 3.15Å
260S94.9Very high96.1Very high44 Ų4439.2 Ų39.231%0.30823%0.232SC..THydrogen-bonded Turntrans50.430.3-166.6-530000113.2Q100 A256Q100-S260 VanDerWaalsContact CG-O 3.3Å; Q100-S260 WeakPolarHBondContact CG-O 3.19Å; Q100-S260 PolarHBondContact NE2-O 2.79Å; A256-S260 VanDerWaalsContact O-CA 3.24Å; A256-S260 WeakPolarHBondContact O-CA 3.33Å; A256-S260 PolarHBondContact O-N 2.9Å
261S97.3Very high95.6Very high31 Ų3140.4 Ų40.422%0.21724%0.242CC..  trans-88.6148.4-174.969.70000111.5P101 A256 N259P101-S261 WeakPolarHBondContact CD-O 3.27Å; A256-S261 WeakPolarHBondContact CB-O 3.3Å; A256-S261 PolarHBondContact O-N 3.44Å; N259-S261 PolarHBondContact O-N 3.31Å; N259-S261 VanDerWaalsContact O-N 3.15Å
262P97.8Very high94.9Very high64 Ų6439.2 Ų39.242%0.41623%0.232SC..  trans-57.6145.7169.1-23.734.6000112.4L80 M98 L99 Q100L80-P262 HydrophobicContact CD1-CB 4.02Å; L80-P262 HydrophobicContact CD1-CG 3.72Å; M98-P262 HydrophobicContact CG-CB 3.95Å; M98-P262 HydrophobicContact SD-CB 3.92Å; L99-P262 CarbonylContact O-C 3.29Å; L99-P262 VanDerWaalsContact O-CA 3.32Å; L99-P262 WeakPolarHBondContact O-CA 3.35Å; Q100-P262 HydrophobicContact CB-CG 4.45Å; Q100-P262 HydrophobicContact CG-CG 4.38Å
263F98.3Very high94Very high16 Ų1641.5 Ų41.57%0.0724%0.243CC..EExtended strand (participates in β ladder)trans-140.2149.4168.870.7-71.4000110.7Y45 M98 L99 P101 A253 A256 I265Y45-F263 HydrophobicContact CD1-CE2 4.45Å; Y45-F263 AromaticContact CD1-CZ 3.96Å; Y45-F263 HydrophobicContact CD1-CZ 3.96Å; Y45-F263 HydrophobicContact CE1-CE2 4.07Å; Y45-F263 AromaticContact CE1-CZ 4Å; Y45-F263 HydrophobicContact CE1-CZ 4Å; Y45-F263 HydrophobicContact CE2-CE2 4.37Å; Y45-F263 HydrophobicContact CG-CZ 4.25Å; M98-F263 WeakPolarHBondContact CA-O 3.45Å; L99-F263 HydrophobicContact CB-CD1 4.11Å; L99-F263 HydrophobicContact CB-CE1 3.63Å; L99-F263 HydrophobicContact CB-CZ 3.94Å; L99-F263 HydrophobicContact CD1-CZ 4.03Å; L99-F263 PolarHBondContact N-O 3.16Å; L99-F263 WeakPolarHBondContact O-CD1 3.27Å; L99-F263 PolarHBondContact O-N 2.78Å; P101-F263 HydrophobicContact CG-CD1 4.42Å; P101-F263 HydrophobicContact CG-CE1 3.97Å; A253-F263 HydrophobicContact CB-CE2 4.31Å; A256-F263 HydrophobicContact CB-CB 3.95Å; A256-F263 HydrophobicContact CB-CD1 3.32Å; A256-F263 HydrophobicContact CB-CE1 3.96Å; A256-F263 HydrophobicContact CB-CG 3.78Å; F263-I265 HydrophobicContact CD2-CG2 3.78Å; F263-I265 HydrophobicContact CE2-CG2 3.54Å
264T98.1Very high93.5Very high63 Ų6341.6 Ų41.639%0.38724%0.244SC..EExtended strand (participates in β ladder)trans-99137.5-179.4-55.70000110.3Q96 M97 F266Q96-T264 HydrophobicContact CG-CG2 3.62Å; M97-T264 WeakPolarHBondContact O-CA 3.29Å; T264-F266 HydrophobicContact CG2-CE2 4.27Å; T264-F266 HydrophobicContact CG2-CZ 4.15Å
265I97.3Very high93.4Very high2 Ų242.8 Ų42.81%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-127.5163.4170.861.5168000110.1Y45 M97 L99 F263 F276 V277Y45-I265 HydrophobicContact CD2-CD1 4.23Å; Y45-I265 HydrophobicContact CE2-CD1 4.33Å; Y45-I265 HydrophobicContact CE2-CG2 4.15Å; M97-I265 HydrophobicContact CB-CD1 4.26Å; M97-I265 HydrophobicContact CB-CG1 3.85Å; M97-I265 PolarHBondContact N-O 3.42Å; M97-I265 PolarHBondContact O-N 3.44Å; M97-I265 HydrophobicContact SD-CD1 4.43Å; L99-I265 HydrophobicContact CD1-CD1 3.58Å; L99-I265 HydrophobicContact CD1-CG1 4.29Å; L99-I265 HydrophobicContact CG-CD1 4.17Å; L99-I265 HydrophobicContact CG-CG1 4.45Å; F263-I265 HydrophobicContact CD2-CG2 3.78Å; F263-I265 HydrophobicContact CE2-CG2 3.54Å; I265-F276 HydrophobicContact CD1-CE2 3.94Å; I265-V277 HydrophobicContact CD1-CG2 3.45Å; I265-V277 VanDerWaalsContact CD1-CG2 3.45Å
266F95.9Very high93.3Very high100 Ų10038 Ų3844%0.43923%0.226SC..EExtended strand (participates in β ladder)trans-124.9134174.6-60.4-85.7000109.8Q53 Y94 A95 Q96 T264Q53-F266 PolarHBondContact NE2-O 2.92Å; Y94-F266 HydrophobicContact CD2-CD1 4.04Å; Y94-F266 HydrophobicContact CE2-CD1 4.06Å; Y94-F266 HydrophobicContact CE2-CE1 4.39Å; A95-F266 CarbonylContact O-C 3.46Å; A95-F266 WeakPolarHBondContact O-CA 3.46Å; Q96-F266 HydrophobicContact CB-CD1 3.87Å; Q96-F266 HydrophobicContact CB-CE1 3.79Å; Q96-F266 HydrophobicContact CG-CD1 4.1Å; Q96-F266 HydrophobicContact CG-CE1 3.65Å; Q96-F266 HydrophobicContact CG-CZ 4.27Å; T264-F266 HydrophobicContact CG2-CE2 4.27Å; T264-F266 HydrophobicContact CG2-CZ 4.15Å
267Y95.5Very high93.3Very high13 Ų1338.4 Ų38.45%0.05123%0.229CC..EExtended strand (participates in β ladder)trans-116.5115.1178.9174.6-123.8000109.8V34 L36 Y94 A95 M97 P269 F276V34-Y267 HydrophobicContact CG1-CE1 4.11Å; L36-Y267 HydrophobicContact CD2-CD1 3.84Å; L36-Y267 HydrophobicContact CD2-CE1 3.82Å; Y94-Y267 CarbonylContact C-O 3.57Å; Y94-Y267 VanDerWaalsContact CA-O 3.25Å; Y94-Y267 WeakPolarHBondContact CA-O 3.49Å; Y94-Y267 WeakPolarHBondContact CB-O 3.17Å; A95-Y267 PolarHBondContact N-O 3.42Å; A95-Y267 PolarHBondContact O-N 3.48Å; M97-Y267 HydrophobicContact CE-CD1 4.19Å; M97-Y267 HydrophobicContact CE-CG 4.49Å; Y267-P269 HydrophobicContact CE1-CB 3.91Å; Y267-P269 HydrophobicContact CE1-CG 4.41Å; Y267-F276 HydrophobicContact CD2-CD1 4.39Å; Y267-F276 AromaticContact CD2-CE1 3.81Å; Y267-F276 HydrophobicContact CD2-CE1 3.81Å; Y267-F276 HydrophobicContact CD2-CZ 4.39Å
268N94.3Very high93.3Very high20 Ų2037.3 Ų37.311%0.10722%0.22CC..  trans-106.6101.8171.6179.4-27.3000108.1E92 R270 A271 S272E92-N268 PolarHBondContact OE2-ND2 2.85Å; N268-R270 PolarHBondContact O-N 3.11Å; N268-R270 PolarHBondContact OD1-N 3.22Å; N268-A271 HydrophobicContact CB-CB 3.96Å; N268-A271 PolarHBondContact O-N 2.82Å; N268-A271 PolarHBondContact OD1-N 2.87Å; N268-S272 PolarHBondContact O-N 3.4Å
269P92.4Very high93.3Very high5 Ų534 Ų343%0.03219%0.191CC..THydrogen-bonded Turntrans-66.9-19.3-176.424.6-32.7000114.2W26 A30 V34 Y267W26-P269 HydrophobicContact CH2-CG 4.18Å; A30-P269 HydrophobicContact CB-CB 4.34Å; A30-P269 HydrophobicContact CB-CG 3.66Å; V34-P269 HydrophobicContact CG1-CB 4.25Å; V34-P269 HydrophobicContact CG2-CB 3.63Å; V34-P269 HydrophobicContact CG2-CG 4.42Å; Y267-P269 HydrophobicContact CE1-CB 3.91Å; Y267-P269 HydrophobicContact CE1-CG 4.41Å
270R89.9Confident93.3Very high75 Ų7529.8 Ų29.828%0.28317%0.169SC..THydrogen-bonded Turntrans-83.4-28175.5-55.6-49.9-63.2177.8-2.7112.2A30 N268 E302A30-R270 WeakPolarHBondContact O-CD 3.29Å; A30-R270 PolarHBondContact O-NH1 2.82Å; A30-R270 VanDerWaalsContact O-NH1 3.1Å; N268-R270 PolarHBondContact O-N 3.11Å; N268-R270 PolarHBondContact OD1-N 3.22Å; R270-E302 IonicContact CZ-OE1 3.93Å; R270-E302 IonicContact CZ-OE2 3.34Å; R270-E302 VanDerWaalsContact NH1-CD 3.29Å; R270-E302 IonicContact NH1-OE1 2.82Å; R270-E302 PolarHBondContact NH1-OE1 2.62Å; R270-E302 IonicContact NH1-OE2 3.41Å; R270-E302 PolarHBondContact NH1-OE2 3.27Å; R270-E302 IonicContact NH2-OE1 3.35Å; R270-E302 PolarHBondContact NH2-OE1 3.28Å; R270-E302 IonicContact NH2-OE2 3.25Å
271A86.9Confident93.2Very high27 Ų2728.6 Ų28.622%0.22316%0.162CC..THydrogen-bonded Turntrans-78.5-39.617600000113Q53 A56 S57 N268Q53-A271 HydrophobicContact CG-CB 4.31Å; A56-A271 VanDerWaalsContact CB-O 3.28Å; A56-A271 WeakPolarHBondContact CB-O 3.35Å; S57-A271 VanDerWaalsContact OG-CB 3.32Å; S57-A271 WeakPolarHBondContact OG-CB 3.16Å; N268-A271 HydrophobicContact CB-CB 3.96Å; N268-A271 PolarHBondContact O-N 2.82Å; N268-A271 PolarHBondContact OD1-N 2.87Å
272S81.5Confident93.1Very high7 Ų730 Ų305%0.04916%0.164CC..  trans-132.7106.3171.2-176.70000111.2N268 S274N268-S272 PolarHBondContact O-N 3.4Å; S272-S274 PolarHBondContact O-N 2.99Å; S272-S274 PolarHBondContact OG-OG 2.85Å
273P76.7Confident92.9Very high95 Ų9527.7 Ų27.762%0.61715%0.147SC*.  trans-69.68.7175.4-19.632000114.7
274S88.4Confident92.7Very high2 Ų229.8 Ų29.81%0.01416%0.159CC..SBendtrans-112.4106.4179.88.60000108.8S272 F276 R332 R347S272-S274 PolarHBondContact O-N 2.99Å; S272-S274 PolarHBondContact OG-OG 2.85Å; S274-F276 PolarHBondContact O-N 2.83Å; S274-R332 PolarHBondContact OG-NH2 3.03Å; S274-R347 PolarHBondContact OG-NH1 3.29Å; S274-R347 PolarHBondContact OG-NH2 3.22Å
275E93.5Very high92.5Very high28 Ų2833.9 Ų33.913%0.13117%0.172CC..  trans-52.3131.7174.4-60.5170.6177.500110.7I278 K282 W331E275-I278 HydrophobicContact CB-CD1 3.53Å; E275-I278 WeakPolarHBondContact O-CD1 3.34Å; E275-K282 VanDerWaalsContact CD-NZ 3.3Å; E275-K282 IonicContact OE1-NZ 2.76Å; E275-K282 PolarHBondContact OE1-NZ 3.26Å; E275-K282 IonicContact OE2-NZ 3.68Å; E275-K282 PolarHBondContact OE2-NZ 2.81Å; E275-W331 WeakPolarHBondContact O-CH2 3.45Å; E275-W331 VanDerWaalsContact O-CZ3 3.24Å; E275-W331 WeakPolarHBondContact O-CZ3 3.37Å
276F96.4Very high92.3Very high1 Ų134.3 Ų34.30%0.00418%0.175CC..SBendtrans-116.77.8173.464.1-96.7000113.8Y45 F46 H50 Q53 I265 Y267 S274 W331Y45-F276 WeakPolarHBondContact CA-O 3.4Å; Y45-F276 HydrophobicContact CD2-CD2 4.04Å; Y45-F276 HydrophobicContact CD2-CE2 4.32Å; Y45-F276 AromaticContact CE2-CD2 3.96Å; Y45-F276 HydrophobicContact CE2-CD2 3.96Å; Y45-F276 AromaticContact CE2-CE2 3.98Å; Y45-F276 HydrophobicContact CE2-CE2 3.98Å; F46-F276 HydrophobicContact CB-CB 4.39Å; F46-F276 PolarHBondContact N-O 3.44Å; H50-F276 HydrophobicContact CB-CD2 3.68Å; H50-F276 HydrophobicContact CB-CE1 4.46Å; H50-F276 HydrophobicContact CB-CE2 3.52Å; H50-F276 HydrophobicContact CB-CG 4.24Å; H50-F276 HydrophobicContact CB-CZ 3.95Å; H50-F276 AromaticContact CD2-CE2 3.76Å; H50-F276 AromaticContact CD2-CZ 3.5Å; H50-F276 VanDerWaalsContact CD2-CZ 3.5Å; H50-F276 WeakPolarHBondContact CD2-CZ 3.46Å; H50-F276 AromaticContact CG-CE2 3.52Å; H50-F276 AromaticContact CG-CZ 3.76Å; Q53-F276 HydrophobicContact CB-CE1 4.16Å; I265-F276 HydrophobicContact CD1-CE2 3.94Å; Y267-F276 HydrophobicContact CD2-CD1 4.39Å; Y267-F276 AromaticContact CD2-CE1 3.81Å; Y267-F276 HydrophobicContact CD2-CE1 3.81Å; Y267-F276 HydrophobicContact CD2-CZ 4.39Å; S274-F276 PolarHBondContact O-N 2.83Å; F276-W331 HydrophobicContact CB-CH2 3.9Å; F276-W331 HydrophobicContact CB-CZ3 3.82Å
277V97Very high92.1Very high10 Ų1032.9 Ų32.96%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-126.289.6173.7-172.80000107.5P37 V43 V44 Y45 M97 L99 I265P37-V277 HydrophobicContact CG-CG1 4.23Å; V43-V277 HydrophobicContact CB-CG1 3.91Å; V43-V277 HydrophobicContact CG1-CG1 4.25Å; V43-V277 HydrophobicContact CG2-CG1 3.78Å; V44-V277 WeakPolarHBondContact O-CA 3.15Å; Y45-V277 HydrophobicContact CD2-CG2 4.36Å; M97-V277 HydrophobicContact SD-CB 4.29Å; M97-V277 HydrophobicContact SD-CG1 4.09Å; M97-V277 HydrophobicContact SD-CG2 4.17Å; L99-V277 HydrophobicContact CD1-CG1 4.43Å; L99-V277 HydrophobicContact CD1-CG2 4.49Å; L99-V277 HydrophobicContact CD2-CG1 4.37Å; I265-V277 HydrophobicContact CD1-CG2 3.45Å; I265-V277 VanDerWaalsContact CD1-CG2 3.45Å
278I96Very high91.7Very high0 Ų037.3 Ų37.30%019%0.189CC..EExtended strand (participates in β ladder)trans-96.2130.2-169.1-51-54.4000109.7V43 V44 F46 E275 L280 K282 W353V43-I278 CarbonylContact C-O 3.5Å; V43-I278 VanDerWaalsContact CA-O 3.25Å; V43-I278 WeakPolarHBondContact CA-O 3.27Å; V44-I278 PolarHBondContact N-O 3.13Å; V44-I278 PolarHBondContact O-N 2.69Å; F46-I278 HydrophobicContact CD2-CG1 4.2Å; F46-I278 HydrophobicContact CE2-CG1 3.93Å; E275-I278 HydrophobicContact CB-CD1 3.53Å; E275-I278 WeakPolarHBondContact O-CD1 3.34Å; I278-L280 PolarHBondContact O-N 3.32Å; I278-K282 HydrophobicContact CG2-CB 4.01Å; I278-K282 HydrophobicContact CG2-CD 4.12Å; I278-K282 HydrophobicContact CG2-CG 4.06Å; I278-W353 HydrophobicContact CD1-CD2 4.4Å; I278-W353 HydrophobicContact CD1-CG 4.26Å; I278-W353 HydrophobicContact CD1-CZ2 4.5Å; I278-W353 VanDerWaalsContact CD1-NE1 3.28Å; I278-W353 HydrophobicContact CG1-CD2 4.06Å; I278-W353 HydrophobicContact CG1-CG 4.28Å; I278-W353 HydrophobicContact CG1-CZ2 4.14Å; I278-W353 HydrophobicContact CG2-CB 4.49Å; I278-W353 HydrophobicContact CG2-CG 4.2Å
279P95.5Very high91.2Very high10 Ų1038.8 Ų38.87%0.06520%0.199CC..EExtended strand (participates in β ladder)trans-51.5129.4168.9-24.431.8000110.8P37 L117 A281 K282 Y283P37-P279 HydrophobicContact CB-CG 4.27Å; L117-P279 HydrophobicContact CD2-CB 3.83Å; L117-P279 HydrophobicContact CD2-CG 4.18Å; P279-A281 PolarHBondContact O-N 2.89Å; P279-A281 VanDerWaalsContact O-N 3.12Å; P279-K282 HydrophobicContact CB-CB 4.11Å; P279-K282 HydrophobicContact CG-CB 4.4Å; P279-K282 WeakPolarHBondContact O-CA 3.41Å; P279-K282 WeakPolarHBondContact O-CB 3.45Å; P279-K282 PolarHBondContact O-N 3.49Å; P279-Y283 PolarHBondContact O-N 3.13Å
280L95.6Very high90.6Very high13 Ų1346 Ų467%0.06823%0.232CC..Hα-helixtrans-54.6-35-177.5-178.162.9000112.1L42 V44 I76 S113 I278 Y283 N284L42-L280 HydrophobicContact CB-CB 3.91Å; L42-L280 HydrophobicContact CB-CD2 3.71Å; L42-L280 HydrophobicContact CB-CG 4.48Å; L42-L280 HydrophobicContact CD1-CD2 3.71Å; L42-L280 HydrophobicContact CG-CD2 4.35Å; L42-L280 WeakPolarHBondContact O-CB 3.39Å; L42-L280 PolarHBondContact O-N 2.95Å; V44-L280 HydrophobicContact CG2-CD1 3.63Å; I76-L280 HydrophobicContact CD1-CD1 4.45Å; I76-L280 HydrophobicContact CG2-CD2 4.39Å; S113-L280 PolarHBondContact OG-N 2.93Å; I278-L280 PolarHBondContact O-N 3.32Å; L280-Y283 HydrophobicContact CD1-CD1 4.26Å; L280-Y283 PolarHBondContact O-N 2.81Å; L280-N284 WeakPolarHBondContact O-CB 3.3Å; L280-N284 PolarHBondContact O-N 2.98Å
281A93.6Very high90.6Very high19 Ų1944 Ų4416%0.15723%0.228CC..Hα-helixtrans-64.8-41173.500000113.4S113 E114 L117 P279 K285S113-A281 PolarHBondContact OG-N 3.08Å; E114-A281 HydrophobicContact CB-CB 4.15Å; L117-A281 HydrophobicContact CD1-CB 3.75Å; L117-A281 HydrophobicContact CD2-CB 4.5Å; L117-A281 HydrophobicContact CG-CB 4.2Å; P279-A281 PolarHBondContact O-N 2.89Å; P279-A281 VanDerWaalsContact O-N 3.12Å; A281-K285 VanDerWaalsContact O-CB 3.3Å; A281-K285 WeakPolarHBondContact O-CB 3.41Å; A281-K285 PolarHBondContact O-N 3.32Å
282K94.2Very high90.7Very high61 Ų6145.7 Ų45.727%0.26524%0.239SC..Hα-helixtrans-63.5-44.8174.7-177.1176.3179.6-178.90110.7L117 E275 I278 P279 A286 W353L117-K282 HydrophobicContact CD2-CB 3.85Å; E275-K282 VanDerWaalsContact CD-NZ 3.3Å; E275-K282 IonicContact OE1-NZ 2.76Å; E275-K282 PolarHBondContact OE1-NZ 3.26Å; E275-K282 IonicContact OE2-NZ 3.68Å; E275-K282 PolarHBondContact OE2-NZ 2.81Å; I278-K282 HydrophobicContact CG2-CB 4.01Å; I278-K282 HydrophobicContact CG2-CD 4.12Å; I278-K282 HydrophobicContact CG2-CG 4.06Å; P279-K282 HydrophobicContact CB-CB 4.11Å; P279-K282 HydrophobicContact CG-CB 4.4Å; P279-K282 WeakPolarHBondContact O-CA 3.41Å; P279-K282 WeakPolarHBondContact O-CB 3.45Å; P279-K282 PolarHBondContact O-N 3.49Å; K282-A286 PolarHBondContact O-N 3.05Å; K282-A286 VanDerWaalsContact O-N 3.1Å; K282-W353 HydrophobicContact CG-CB 4.47Å
283Y95.1Very high91.3Very high15 Ų1550.8 Ų50.86%0.05927%0.265CS..Hα-helixtrans-63.3-48.9177.3173.5-98.1000112.4V44 F46 K74 P279 L280 K285 A286 L287 H330 W353V44-Y283 HydrophobicContact CB-CG 4.47Å; V44-Y283 HydrophobicContact CG2-CD1 3.83Å; V44-Y283 HydrophobicContact CG2-CD2 4.49Å; V44-Y283 HydrophobicContact CG2-CE1 4.39Å; V44-Y283 HydrophobicContact CG2-CG 3.86Å; F46-Y283 HydrophobicContact CE2-CD2 4.43Å; F46-Y283 HydrophobicContact CZ-CD2 4.01Å; F46-Y283 AromaticContact CZ-CE2 3.74Å; F46-Y283 HydrophobicContact CZ-CE2 3.74Å; K74-Y283 WeakPolarHBondContact CD-OH 3.28Å; K74-Y283 WeakPolarHBondContact CE-OH 3.32Å; P279-Y283 PolarHBondContact O-N 3.13Å; L280-Y283 HydrophobicContact CD1-CD1 4.26Å; L280-Y283 PolarHBondContact O-N 2.81Å; Y283-K285 PolarHBondContact O-N 2.9Å; Y283-A286 WeakPolarHBondContact O-CB 3.25Å; Y283-A286 PolarHBondContact O-N 3.49Å; Y283-L287 HydrophobicContact CD1-CD1 4.25Å; Y283-L287 HydrophobicContact CE1-CD1 3.53Å; Y283-L287 HydrophobicContact CE1-CG 4.24Å; Y283-L287 HydrophobicContact CE2-CD1 4.4Å; Y283-L287 HydrophobicContact CE2-CG 4.47Å; Y283-L287 PolarHBondContact O-N 2.93Å; Y283-L287 VanDerWaalsContact O-N 3.09Å; Y283-H330 HydrophobicContact CE2-CB 4.45Å; Y283-H330 AromaticContact CE2-ND1 3.8Å; Y283-H330 AromaticContact CZ-ND1 3.73Å; Y283-H330 PolarHBondContact OH-CE1 3.03Å; Y283-H330 PolarHBondContact OH-ND1 2.9Å; Y283-W353 AromaticContact CD2-CE3 3.87Å; Y283-W353 HydrophobicContact CD2-CE3 3.87Å; Y283-W353 AromaticContact CD2-CZ3 3.96Å; Y283-W353 HydrophobicContact CD2-CZ3 3.96Å; Y283-W353 HydrophobicContact CE2-CE3 4.34Å; Y283-W353 HydrophobicContact CE2-CZ3 4.03Å
284N94.1Very high91.9Very high60 Ų6048.8 Ų48.832%0.32126%0.261SS..Hα-helixtrans-62.9-43.5179.1-71.8-9.2000111.7L280 A286 L287 Y288L280-N284 WeakPolarHBondContact O-CB 3.3Å; L280-N284 PolarHBondContact O-N 2.98Å; N284-A286 VanDerWaalsContact C-N 3.28Å; N284-A286 PolarHBondContact O-N 3.09Å; N284-L287 PolarHBondContact O-N 3.5Å; N284-L287 VanDerWaalsContact O-N 3.15Å; N284-Y288 HydrophobicContact CB-CE2 4.37Å; N284-Y288 WeakPolarHBondContact O-CD2 3.3Å; N284-Y288 PolarHBondContact O-N 3.23Å
285K92.4Very high92.1Very high149 Ų14950.9 Ų50.965%0.64827%0.271SS*.Hα-helixtrans-58-39.6174.9-177.5178.2178.3179.90112.3A281 Y283 T289A281-K285 VanDerWaalsContact O-CB 3.3Å; A281-K285 WeakPolarHBondContact O-CB 3.41Å; A281-K285 PolarHBondContact O-N 3.32Å; Y283-K285 PolarHBondContact O-N 2.9Å; K285-T289 PolarHBondContact O-N 3.04Å; K285-T289 PolarHBondContact O-OG1 3.42Å
286A93.1Very high92.1Very high11 Ų1155.2 Ų55.29%0.09129%0.287CS..Hα-helixtrans-64.6-43.4175.800000111.5K282 Y283 N284 Y288 T289 I352 W353K282-A286 PolarHBondContact O-N 3.05Å; K282-A286 VanDerWaalsContact O-N 3.1Å; Y283-A286 WeakPolarHBondContact O-CB 3.25Å; Y283-A286 PolarHBondContact O-N 3.49Å; N284-A286 VanDerWaalsContact C-N 3.28Å; N284-A286 PolarHBondContact O-N 3.09Å; A286-Y288 PolarHBondContact O-N 3.07Å; A286-T289 WeakPolarHBondContact O-CB 3.46Å; A286-T289 PolarHBondContact O-N 3.27Å; A286-T289 VanDerWaalsContact O-N 3.11Å; A286-I352 HydrophobicContact CB-CG1 4.26Å; A286-I352 HydrophobicContact CB-CG2 4.1Å; A286-I352 WeakPolarHBondContact O-CD1 3.48Å; A286-W353 HydrophobicContact CB-CB 3.92Å
287L91.5Very high91.9Very high69 Ų6955.2 Ų55.236%0.36129%0.287SS..Hα-helixtrans-65-36.1177.8-66.7-173000114.2Y283 N284 T289 I352Y283-L287 HydrophobicContact CD1-CD1 4.25Å; Y283-L287 HydrophobicContact CE1-CD1 3.53Å; Y283-L287 HydrophobicContact CE1-CG 4.24Å; Y283-L287 HydrophobicContact CE2-CD1 4.4Å; Y283-L287 HydrophobicContact CE2-CG 4.47Å; Y283-L287 PolarHBondContact O-N 2.93Å; Y283-L287 VanDerWaalsContact O-N 3.09Å; N284-L287 PolarHBondContact O-N 3.5Å; N284-L287 VanDerWaalsContact O-N 3.15Å; L287-T289 PolarHBondContact O-N 3.22Å; L287-I352 HydrophobicContact CD2-CD1 4.5Å; L287-I352 HydrophobicContact CD2-CG2 4.29Å
288Y89Confident91.6Very high106 Ų10657.4 Ų57.442%0.41629%0.294SS..Hα-helixtrans-68.9-16.7174.5-71.9-56.1000113.3N284 A286 Q290 W420 M421N284-Y288 HydrophobicContact CB-CE2 4.37Å; N284-Y288 WeakPolarHBondContact O-CD2 3.3Å; N284-Y288 PolarHBondContact O-N 3.23Å; A286-Y288 PolarHBondContact O-N 3.07Å; Y288-Q290 PolarHBondContact O-N 2.98Å; Y288-W420 HydrophobicContact CD1-CZ3 4.03Å; Y288-W420 HydrophobicContact CD2-CZ3 4.47Å; Y288-W420 HydrophobicContact CG-CH2 4.41Å; Y288-W420 AromaticContact CG-CZ3 3.91Å; Y288-W420 HydrophobicContact CG-CZ3 3.91Å; Y288-M421 HydrophobicContact CE2-SD 4.19Å
289T82.1Confident91.4Very high52 Ų5258.1 Ų58.132%0.31930%0.297SS..SBendtrans-85.290.6177.4-48.10000109.1K285 A286 L287 V291 P357K285-T289 PolarHBondContact O-N 3.04Å; K285-T289 PolarHBondContact O-OG1 3.42Å; A286-T289 WeakPolarHBondContact O-CB 3.46Å; A286-T289 PolarHBondContact O-N 3.27Å; A286-T289 VanDerWaalsContact O-N 3.11Å; L287-T289 PolarHBondContact O-N 3.22Å; T289-V291 PolarHBondContact O-N 2.98Å; T289-P357 HydrophobicContact CG2-CB 4.09Å; T289-P357 HydrophobicContact CG2-CG 3.61Å
290Q81.1Confident91.1Very high156 Ų15660.3 Ų60.373%0.72931%0.308SS*.  trans-59.697.5-173.2-65.7179.4-5.100112.7Y288Y288-Q290 PolarHBondContact O-N 2.98Å
291V88.8Confident90.7Very high32 Ų3261.4 Ų61.419%0.19431%0.312CS..  trans-80.9140177.6-71.10000112.2T289 M295 I315 I318 L334 I352 I355 P357T289-V291 PolarHBondContact O-N 2.98Å; V291-M295 HydrophobicContact CB-SD 4.49Å; V291-M295 HydrophobicContact CG1-SD 4.32Å; V291-I315 HydrophobicContact CB-CD1 3.81Å; V291-I315 HydrophobicContact CG1-CD1 3.86Å; V291-I318 HydrophobicContact CG2-CD1 4.31Å; V291-L334 HydrophobicContact CG2-CD2 4.04Å; V291-I352 HydrophobicContact CG1-CD1 4.22Å; V291-I352 HydrophobicContact CG1-CG1 4.26Å; V291-I352 HydrophobicContact CG2-CD1 3.69Å; V291-I352 HydrophobicContact CG2-CG1 4.4Å; V291-I355 HydrophobicContact CG1-CD1 4.16Å; V291-P357 HydrophobicContact CG1-CG 4.31Å
292S90.3Very high90.4Very high63 Ų6363.6 Ų63.644%0.44132%0.319SS..  trans-136.2161.4179.859.80000112.1M295S292-M295 WeakPolarHBondContact O-CB 3.44Å; S292-M295 PolarHBondContact O-N 3.36Å; S292-M295 VanDerWaalsContact O-N 3.16Å
293L93.2Very high89.8Confident115 Ų11561.7 Ų61.760%0.60231%0.313SS*.THydrogen-bonded Turntrans-64.8136.4174.9-60.6176.8000110.1M295 G317 I318L293-M295 PolarHBondContact O-N 3.18Å; L293-G317 VanDerWaalsContact CD2-CA 3.44Å; L293-I318 HydrophobicContact CD2-CB 4.45Å; L293-I318 HydrophobicContact CD2-CD1 4.23Å; L293-I318 HydrophobicContact CD2-CG1 3.89Å
294G90.2Very high88.8Confident52 Ų5268.2 Ų68.254%0.53634%0.344SS..THydrogen-bonded Turntrans78.9-3.8-173.400000114.7I315G294-I315 PolarHBondContact N-O 3.31Å
295M91.5Very high87.8Confident47 Ų4770 Ų7023%0.23235%0.354CS..  trans-66135.7175.8-165.2-174.4-153.600110.9V291 S292 L293 T314 I315 P357V291-M295 HydrophobicContact CB-SD 4.49Å; V291-M295 HydrophobicContact CG1-SD 4.32Å; S292-M295 WeakPolarHBondContact O-CB 3.44Å; S292-M295 PolarHBondContact O-N 3.36Å; S292-M295 VanDerWaalsContact O-N 3.16Å; L293-M295 PolarHBondContact O-N 3.18Å; M295-T314 WeakPolarHBondContact O-CA 3.15Å; M295-I315 HydrophobicContact CB-CD1 4.26Å; M295-I315 PolarHBondContact O-N 2.66Å; M295-P357 HydrophobicContact CE-CB 3.68Å; M295-P357 HydrophobicContact SD-CB 3.91Å; M295-P357 HydrophobicContact SD-CG 4.35Å
296R92.9Very high86.9Confident119 Ų11963 Ų6345%0.44932%0.323SS..EExtended strand (participates in β ladder)trans-86.5140174.5-59.3-16879.6127.55.1111.4G313 D339 V358R296-G313 WeakPolarHBondContact CA-O 3.07Å; R296-D339 IonicContact CZ-OD1 3.77Å; R296-D339 IonicContact CZ-OD2 2.94Å; R296-D339 IonicContact NH2-OD1 2.68Å; R296-D339 PolarHBondContact NH2-OD1 2.81Å; R296-D339 IonicContact NH2-OD2 3.86Å; R296-D339 PolarHBondContact NH2-OD2 3.49Å; R296-V358 PolarHBondContact O-N 3.4Å
297F92.2Very high86.4Confident1 Ų163.6 Ų63.60%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-134.3164.3177.172.4-86.1000111M299 M312 G313 I315 V336 W338 I355F297-M299 HydrophobicContact CD2-CB 4.28Å; F297-M299 HydrophobicContact CE2-CB 4.04Å; F297-M312 WeakPolarHBondContact O-CA 3.46Å; F297-G313 WeakPolarHBondContact CD1-O 3.4Å; F297-G313 PolarHBondContact N-O 3.4Å; F297-G313 PolarHBondContact O-N 2.96Å; F297-I315 HydrophobicContact CD1-CG1 3.95Å; F297-I315 HydrophobicContact CE1-CG1 4.41Å; F297-V336 HydrophobicContact CD1-CG1 4.37Å; F297-V336 HydrophobicContact CE1-CB 3.79Å; F297-V336 HydrophobicContact CE1-CG1 3.38Å; F297-V336 HydrophobicContact CZ-CB 3.72Å; F297-V336 HydrophobicContact CZ-CG1 3.52Å; F297-V336 HydrophobicContact CZ-CG2 4.28Å; F297-W338 AromaticContact CE2-CH2 3.64Å; F297-W338 HydrophobicContact CE2-CH2 3.64Å; F297-W338 HydrophobicContact CE2-CZ2 4.43Å; F297-W338 AromaticContact CE2-CZ3 3.71Å; F297-W338 HydrophobicContact CE2-CZ3 3.71Å; F297-W338 HydrophobicContact CZ-CE3 4.36Å; F297-W338 AromaticContact CZ-CH2 3.86Å; F297-W338 HydrophobicContact CZ-CH2 3.86Å; F297-W338 HydrophobicContact CZ-CZ2 4.26Å; F297-W338 AromaticContact CZ-CZ3 3.92Å; F297-W338 HydrophobicContact CZ-CZ3 3.92Å; F297-I355 HydrophobicContact CB-CB 4.14Å; F297-I355 HydrophobicContact CB-CD1 4.06Å; F297-I355 HydrophobicContact CD2-CB 3.72Å; F297-I355 HydrophobicContact CD2-CG2 3.41Å; F297-I355 VanDerWaalsContact CD2-CG2 3.41Å; F297-I355 HydrophobicContact CE2-CB 4.47Å; F297-I355 HydrophobicContact CE2-CG2 3.67Å; F297-I355 HydrophobicContact CG-CB 4.1Å; F297-I355 HydrophobicContact CG-CD1 4.24Å; F297-I355 HydrophobicContact CG-CG2 4.04Å; F297-I355 HydrophobicContact CZ-CG2 4.48Å
298R91.3Very high86.2Confident55 Ų5563.5 Ų63.521%0.20833%0.332CS..EExtended strand (participates in β ladder)trans-118.7146.2165.464-161.5168.378.56.5109.4Y311 M312 E356 V358R298-Y311 CarbonylContact C-O 3.54Å; R298-Y311 VanDerWaalsContact CA-O 3.29Å; R298-Y311 WeakPolarHBondContact CA-O 3.4Å; R298-M312 HydrophobicContact CB-SD 3.84Å; R298-E356 HydrophobicContact CG-CB 3.82Å; R298-E356 WeakPolarHBondContact CG-O 3.48Å; R298-E356 IonicContact CZ-OE1 3.43Å; R298-E356 IonicContact CZ-OE2 3.6Å; R298-E356 PolarHBondContact N-O 2.87Å; R298-E356 IonicContact NH1-OE1 3.59Å; R298-E356 PolarHBondContact NH1-OE1 3.46Å; R298-E356 IonicContact NH1-OE2 2.69Å; R298-E356 PolarHBondContact NH1-OE2 3.02Å; R298-E356 IonicContact NH2-OE1 2.78Å; R298-E356 PolarHBondContact NH2-OE1 3.47Å; R298-E356 IonicContact NH2-OE2 3.78Å; R298-E356 PolarHBondContact O-N 3.13Å; R298-V358 HydrophobicContact CB-CG2 4.48Å; R298-V358 HydrophobicContact CG-CG2 4.4Å
299M91.1Very high86Confident15 Ų1559 Ų597%0.07432%0.315CS..EExtended strand (participates in β ladder)trans-135.2146.2175.6176.7170.9178.500109.6F297 F301 R310 Y311 W338 V350 E354F297-M299 HydrophobicContact CD2-CB 4.28Å; F297-M299 HydrophobicContact CE2-CB 4.04Å; M299-F301 HydrophobicContact CB-CE2 3.97Å; M299-F301 HydrophobicContact CE-CE2 4.43Å; M299-F301 HydrophobicContact CE-CZ 4.33Å; M299-F301 HydrophobicContact CG-CD2 4.17Å; M299-F301 HydrophobicContact CG-CE2 3.66Å; M299-F301 HydrophobicContact CG-CZ 4.38Å; M299-F301 HydrophobicContact SD-CE2 3.92Å; M299-F301 HydrophobicContact SD-CZ 4.06Å; M299-R310 WeakPolarHBondContact O-CA 3.37Å; M299-Y311 PolarHBondContact N-O 3.06Å; M299-Y311 PolarHBondContact O-N 2.89Å; M299-W338 HydrophobicContact CB-CH2 3.95Å; M299-W338 HydrophobicContact CB-CZ3 4.21Å; M299-W338 HydrophobicContact CG-CH2 4.34Å; M299-W338 HydrophobicContact SD-CH2 3.8Å; M299-W338 HydrophobicContact SD-CZ2 4.42Å; M299-V350 HydrophobicContact SD-CG1 3.97Å; M299-E354 HydrophobicContact CE-CB 3.97Å; M299-E354 WeakPolarHBondContact CG-O 3.46Å; M299-E354 HydrophobicContact SD-CB 4.29Å
300L89.7Confident86.3Confident57 Ų5763.2 Ų63.230%0.29832%0.324SS..EExtended strand (participates in β ladder)trans-89.4137.6179.6-62.3165.3000110.5L33 V308 R310L33-L300 HydrophobicContact CD2-CB 3.66Å; L33-L300 HydrophobicContact CD2-CD1 4.47Å; L300-V308 HydrophobicContact CB-CG1 3.88Å; L300-V308 HydrophobicContact CD2-CG1 3.57Å; L300-V308 HydrophobicContact CG-CG1 4.24Å; L300-R310 HydrophobicContact CD2-CG 3.39Å; L300-R310 HydrophobicContact CG-CG 4.48Å
301F87.3Confident86.7Confident35 Ų3556.4 Ų56.415%0.15429%0.292CS..EExtended strand (participates in β ladder)trans-132.1142.9175.4-73.5-106.3000109.8M299 V308 R309 Y311 W338M299-F301 HydrophobicContact CB-CE2 3.97Å; M299-F301 HydrophobicContact CE-CE2 4.43Å; M299-F301 HydrophobicContact CE-CZ 4.33Å; M299-F301 HydrophobicContact CG-CD2 4.17Å; M299-F301 HydrophobicContact CG-CE2 3.66Å; M299-F301 HydrophobicContact CG-CZ 4.38Å; M299-F301 HydrophobicContact SD-CE2 3.92Å; M299-F301 HydrophobicContact SD-CZ 4.06Å; F301-V308 WeakPolarHBondContact O-CA 3.32Å; F301-R309 PolarHBondContact N-O 3.42Å; F301-R309 PolarHBondContact O-N 3.02Å; F301-Y311 HydrophobicContact CB-CD2 3.87Å; F301-Y311 HydrophobicContact CB-CE2 3.95Å; F301-Y311 AromaticContact CD2-CD2 3.57Å; F301-Y311 HydrophobicContact CD2-CD2 3.57Å; F301-Y311 HydrophobicContact CD2-CE2 4.44Å; F301-Y311 HydrophobicContact CD2-CG 4.33Å; F301-Y311 HydrophobicContact CE2-CD2 4.29Å; F301-Y311 AromaticContact CG-CD2 3.85Å; F301-Y311 HydrophobicContact CG-CD2 3.85Å; F301-Y311 HydrophobicContact CG-CE2 4.28Å; F301-W338 AromaticContact CE2-CH2 3.57Å; F301-W338 HydrophobicContact CE2-CH2 3.57Å; F301-W338 HydrophobicContact CE2-CZ2 4.35Å; F301-W338 AromaticContact CE2-CZ3 3.8Å; F301-W338 HydrophobicContact CE2-CZ3 3.8Å; F301-W338 AromaticContact CZ-CH2 3.61Å; F301-W338 HydrophobicContact CZ-CH2 3.61Å; F301-W338 AromaticContact CZ-CZ2 3.93Å; F301-W338 HydrophobicContact CZ-CZ2 3.93Å; F301-W338 HydrophobicContact CZ-CZ3 4.16Å
302E86.5Confident86.8Confident65 Ų6556.8 Ų56.830%0.30429%0.292SS..EExtended strand (participates in β ladder)trans-65.3138.5168.8-178.5174.1140.400109.6P32 R226 R270P32-E302 HydrophobicContact CG-CB 4.49Å; P32-E302 HydrophobicContact CG-CG 4.2Å; R226-E302 IonicContact CZ-OE1 3.97Å; R226-E302 IonicContact NH1-OE1 2.72Å; R226-E302 PolarHBondContact NH1-OE1 2.94Å; R226-E302 IonicContact NH1-OE2 3.28Å; R270-E302 IonicContact CZ-OE1 3.93Å; R270-E302 IonicContact CZ-OE2 3.34Å; R270-E302 VanDerWaalsContact NH1-CD 3.29Å; R270-E302 IonicContact NH1-OE1 2.82Å; R270-E302 PolarHBondContact NH1-OE1 2.62Å; R270-E302 IonicContact NH1-OE2 3.41Å; R270-E302 PolarHBondContact NH1-OE2 3.27Å; R270-E302 IonicContact NH2-OE1 3.35Å; R270-E302 PolarHBondContact NH2-OE1 3.28Å; R270-E302 IonicContact NH2-OE2 3.25Å
303T82.4Confident86.8Confident21 Ų2153.8 Ų53.813%0.12927%0.271CS..  trans-103.3165.5172.953.20000111.1D305 S306 G307 R309T303-D305 VanDerWaalsContact C-N 3.29Å; T303-D305 WeakPolarHBondContact CB-OD1 3.42Å; T303-D305 PolarHBondContact O-N 3.38Å; T303-D305 PolarHBondContact OG1-OD1 3.24Å; T303-S306 VanDerWaalsContact O-CA 3.3Å; T303-S306 WeakPolarHBondContact O-CA 3.48Å; T303-S306 PolarHBondContact O-N 3.1Å; T303-G307 PolarHBondContact N-O 3.45Å; T303-G307 VanDerWaalsContact OG1-CA 3.24Å; T303-G307 WeakPolarHBondContact OG1-CA 3.31Å; T303-G307 PolarHBondContact OG1-N 3.14Å; T303-G307 PolarHBondContact OG1-O 3.36Å; T303-R309 HydrophobicContact CG2-CB 3.6Å
304E74.8Confident86.7Confident153 Ų15350 Ų5072%0.71525%0.253SS*.THydrogen-bonded Turntrans-59.7-37.6-174.2-173.7176.2174.500112.9T130 S306T130-E304 PolarHBondContact OG1-O 2.9Å; E304-S306 PolarHBondContact O-N 3.34Å; E304-S306 VanDerWaalsContact O-N 3.13Å
305D71.5Confident86.9Confident98 Ų9847.6 Ų47.652%0.52423%0.228SC..THydrogen-bonded Turntrans-69.21.8171.163.1-53.8000114.1T303 G307T303-D305 VanDerWaalsContact C-N 3.29Å; T303-D305 WeakPolarHBondContact CB-OD1 3.42Å; T303-D305 PolarHBondContact O-N 3.38Å; T303-D305 PolarHBondContact OG1-OD1 3.24Å; D305-G307 PolarHBondContact O-N 3.37Å; D305-G307 PolarHBondContact OD2-N 3.03Å
306S75.4Confident87.1Confident2 Ų249.4 Ų49.41%0.01424%0.242CC..SBendtrans62.419.9-171-590000115.7P32 C128 R226 T303 E304P32-S306 WeakPolarHBondContact CG-O 3.4Å; C128-S306 WeakPolarHBondContact CB-OG 3.16Å; C128-S306 PolarHBondContact SG-OG 2.85Å; R226-S306 VanDerWaalsContact NH1-CB 3.34Å; R226-S306 PolarHBondContact NH1-OG 3.19Å; T303-S306 VanDerWaalsContact O-CA 3.3Å; T303-S306 WeakPolarHBondContact O-CA 3.48Å; T303-S306 PolarHBondContact O-N 3.1Å; E304-S306 PolarHBondContact O-N 3.34Å; E304-S306 VanDerWaalsContact O-N 3.13Å
307G81.8Confident87.2Confident22 Ų2244.2 Ų44.223%0.22723%0.225CC..  trans-71.9-169.9161.300000112.6T303 D305T303-G307 PolarHBondContact N-O 3.45Å; T303-G307 VanDerWaalsContact OG1-CA 3.24Å; T303-G307 WeakPolarHBondContact OG1-CA 3.31Å; T303-G307 PolarHBondContact OG1-N 3.14Å; T303-G307 PolarHBondContact OG1-O 3.36Å; D305-G307 PolarHBondContact O-N 3.37Å; D305-G307 PolarHBondContact OD2-N 3.03Å
308V86.1Confident87.3Confident67 Ų6748 Ų4841%0.40624%0.244SC..EExtended strand (participates in β ladder)trans-133.9125.8177.4176.60000110.4P32 L33 L300 F301P32-V308 HydrophobicContact CB-CG2 3.6Å; P32-V308 HydrophobicContact CG-CG2 3.52Å; L33-V308 HydrophobicContact CD2-CB 4.42Å; L33-V308 HydrophobicContact CD2-CG1 3.7Å; L33-V308 HydrophobicContact CD2-CG2 3.76Å; L33-V308 HydrophobicContact CG-CG2 4.45Å; L300-V308 HydrophobicContact CB-CG1 3.88Å; L300-V308 HydrophobicContact CD2-CG1 3.57Å; L300-V308 HydrophobicContact CG-CG1 4.24Å; F301-V308 WeakPolarHBondContact O-CA 3.32Å
309R86.4Confident87.5Confident13 Ų1346.9 Ų46.95%0.04925%0.251CS..EExtended strand (participates in β ladder)trans-111.5137.5174.4178.3161.2165.3175.6-23.1111.3F301 T303 Y311 E340 S899 Q901F301-R309 PolarHBondContact N-O 3.42Å; F301-R309 PolarHBondContact O-N 3.02Å; T303-R309 HydrophobicContact CG2-CB 3.6Å; R309-Y311 HydrophobicContact CB-CE2 3.97Å; R309-Y311 VanDerWaalsContact CD-CZ 3.49Å; R309-Y311 WeakPolarHBondContact CD-OH 3.14Å; R309-Y311 HydrophobicContact CG-CD2 4.13Å; R309-Y311 HydrophobicContact CG-CE1 4.31Å; R309-Y311 HydrophobicContact CG-CE2 3.71Å; R309-Y311 VanDerWaalsContact NE-CE1 3.26Å; R309-Y311 VanDerWaalsContact NE-CZ 3.32Å; R309-Y311 PolarHBondContact NE-OH 2.76Å; R309-E340 IonicContact CZ-OE2 3.89Å; R309-E340 IonicContact NH2-OE2 3.67Å; R309-E340 PolarHBondContact NH2-OE2 2.77Å; R309-S899 WeakPolarHBondContact CD-OG 3.31Å; R309-S899 PolarHBondContact NE-O 3.33Å; R309-S899 PolarHBondContact NH1-OG 2.95Å; R309-S899 PolarHBondContact NH2-O 3.34Å; R309-S899 VanDerWaalsContact NH2-O 3.09Å; R309-Q901 VanDerWaalsContact NH1-CG 3.28Å; R309-Q901 VanDerWaalsContact NH1-N 3.17Å
310R88.6Confident87.6Confident139 Ų13947.7 Ų47.753%0.52526%0.255SS..EExtended strand (participates in β ladder)trans-83.4124.1167.5-71.4176.3-179.2101.92.2109M299 L300M299-R310 WeakPolarHBondContact O-CA 3.37Å; L300-R310 HydrophobicContact CD2-CG 3.39Å; L300-R310 HydrophobicContact CG-CG 4.48Å
311Y88.1Confident87.7Confident14 Ų1447.7 Ų47.76%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-108.3144.9168.4-72-78.8000110.3R298 M299 F301 R309 E340 T342R298-Y311 CarbonylContact C-O 3.54Å; R298-Y311 VanDerWaalsContact CA-O 3.29Å; R298-Y311 WeakPolarHBondContact CA-O 3.4Å; M299-Y311 PolarHBondContact N-O 3.06Å; M299-Y311 PolarHBondContact O-N 2.89Å; F301-Y311 HydrophobicContact CB-CD2 3.87Å; F301-Y311 HydrophobicContact CB-CE2 3.95Å; F301-Y311 AromaticContact CD2-CD2 3.57Å; F301-Y311 HydrophobicContact CD2-CD2 3.57Å; F301-Y311 HydrophobicContact CD2-CE2 4.44Å; F301-Y311 HydrophobicContact CD2-CG 4.33Å; F301-Y311 HydrophobicContact CE2-CD2 4.29Å; F301-Y311 AromaticContact CG-CD2 3.85Å; F301-Y311 HydrophobicContact CG-CD2 3.85Å; F301-Y311 HydrophobicContact CG-CE2 4.28Å; R309-Y311 HydrophobicContact CB-CE2 3.97Å; R309-Y311 VanDerWaalsContact CD-CZ 3.49Å; R309-Y311 WeakPolarHBondContact CD-OH 3.14Å; R309-Y311 HydrophobicContact CG-CD2 4.13Å; R309-Y311 HydrophobicContact CG-CE1 4.31Å; R309-Y311 HydrophobicContact CG-CE2 3.71Å; R309-Y311 VanDerWaalsContact NE-CE1 3.26Å; R309-Y311 VanDerWaalsContact NE-CZ 3.32Å; R309-Y311 PolarHBondContact NE-OH 2.76Å; Y311-E340 WeakPolarHBondContact CD1-OE2 3.4Å; Y311-E340 VanDerWaalsContact CE1-OE2 3.29Å; Y311-E340 WeakPolarHBondContact CE1-OE2 3.49Å; Y311-T342 HydrophobicContact CD1-CG2 3.99Å; Y311-T342 HydrophobicContact CE1-CG2 3.23Å; Y311-T342 HydrophobicContact CE2-CG2 4.22Å; Y311-T342 WeakPolarHBondContact OH-CG2 3.32Å
312M91Very high87.9Confident40 Ų4047.1 Ų47.120%0.19725%0.254CS..EExtended strand (participates in β ladder)trans-98.5146.5-180-66.7-74-52.900110.9F297 R298 D339 V358F297-M312 WeakPolarHBondContact O-CA 3.46Å; R298-M312 HydrophobicContact CB-SD 3.84Å; M312-D339 VanDerWaalsContact C-OD2 3.28Å; M312-D339 HydrophobicContact CB-CB 4.34Å; M312-D339 WeakPolarHBondContact CB-OD2 3.46Å; M312-D339 PolarHBondContact O-N 3.44Å; M312-D339 VanDerWaalsContact O-N 3.11Å; M312-V358 HydrophobicContact CE-CG2 3.98Å; M312-V358 HydrophobicContact SD-CG2 4.31Å
313G90.6Very high88.2Confident0 Ų047.6 Ų47.60%026%0.263CS..EExtended strand (participates in β ladder)trans-154.8178.1175.200000112.8R296 F297 G337 D339R296-G313 WeakPolarHBondContact CA-O 3.07Å; F297-G313 WeakPolarHBondContact CD1-O 3.4Å; F297-G313 PolarHBondContact N-O 3.4Å; F297-G313 PolarHBondContact O-N 2.96Å; G313-G337 CarbonylContact C-O 3.51Å; G313-G337 WeakPolarHBondContact CA-O 3.3Å; G313-D339 PolarHBondContact N-OD2 3.29Å
314T92.3Very high88.6Confident36 Ų3654.1 Ų54.122%0.22130%0.296CS..EExtended strand (participates in β ladder)trans-129.9134.6-179.1-57.50000109.5M295 T316 V336 G337M295-T314 WeakPolarHBondContact O-CA 3.15Å; T314-T316 PolarHBondContact O-N 3.1Å; T314-V336 WeakPolarHBondContact O-CA 3.49Å; T314-G337 PolarHBondContact N-O 3.49Å; T314-G337 PolarHBondContact O-N 3.3Å
315I94.3Very high89.4Confident1 Ų152.1 Ų52.11%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-72.9117.3176.6-56.3179.6000109V291 G294 M295 F297 I318 L334 I355V291-I315 HydrophobicContact CB-CD1 3.81Å; V291-I315 HydrophobicContact CG1-CD1 3.86Å; G294-I315 PolarHBondContact N-O 3.31Å; M295-I315 HydrophobicContact CB-CD1 4.26Å; M295-I315 PolarHBondContact O-N 2.66Å; F297-I315 HydrophobicContact CD1-CG1 3.95Å; F297-I315 HydrophobicContact CE1-CG1 4.41Å; I315-I318 HydrophobicContact CG2-CD1 4.24Å; I315-I318 HydrophobicContact CG2-CG1 3.81Å; I315-L334 HydrophobicContact CD1-CD1 4.23Å; I315-I355 HydrophobicContact CD1-CD1 3.99Å
316T95Very high90.4Very high85 Ų8547.7 Ų47.752%0.52126%0.258SS..EExtended strand (participates in β ladder)trans-100.2-18.9-177.150.50000113.3T314 Q335 V336T314-T316 PolarHBondContact O-N 3.1Å; T316-Q335 PolarHBondContact N-O 2.96Å; T316-Q335 VanDerWaalsContact OG1-C 3.25Å; T316-Q335 PolarHBondContact OG1-O 3.4Å; T316-V336 PolarHBondContact OG1-N 2.77Å
317G94Very high91.2Very high10 Ų1054.5 Ų54.510%0.10329%0.287CS..EExtended strand (participates in β ladder)trans-161.3151.4-179.600000111.7L293 Q335L293-G317 VanDerWaalsContact CD2-CA 3.44Å; G317-Q335 PolarHBondContact N-O 2.8Å; G317-Q335 PolarHBondContact O-N 2.7Å
318I95.6Very high91.6Very high79 Ų7959.3 Ų59.341%0.40531%0.307SS..EExtended strand (participates in β ladder)trans-133126.6176.8-59.6174000107.8V291 L293 I315 N333 L334V291-I318 HydrophobicContact CG2-CD1 4.31Å; L293-I318 HydrophobicContact CD2-CB 4.45Å; L293-I318 HydrophobicContact CD2-CD1 4.23Å; L293-I318 HydrophobicContact CD2-CG1 3.89Å; I315-I318 HydrophobicContact CG2-CD1 4.24Å; I315-I318 HydrophobicContact CG2-CG1 3.81Å; I318-N333 WeakPolarHBondContact CA-O 3.28Å; I318-L334 HydrophobicContact CG1-CD2 3.93Å; I318-L334 HydrophobicContact CG2-CD2 4.19Å
319G94.1Very high92.1Very high33 Ų3356.1 Ų56.134%0.3429%0.288SS..SBendtrans158.9158.9179.200000112.6N333 R349G319-N333 PolarHBondContact N-O 3.05Å; G319-N333 CarbonylContact O-C 3.36Å; G319-N333 WeakPolarHBondContact O-CA 3.44Å; G319-N333 VanDerWaalsContact O-O 3.1Å; G319-R349 PolarHBondContact O-NH1 3.47Å
320D94.2Very high92.5Very high31 Ų3157.7 Ų57.717%0.16630%0.296CS..  trans-48.2149.6-176.2-62.9-30000113P323 K327 N328 S329 R349D320-P323 HydrophobicContact CB-CB 4.33Å; D320-P323 HydrophobicContact CB-CG 4.06Å; D320-K327 WeakPolarHBondContact OD2-CA 3.27Å; D320-N328 VanDerWaalsContact CG-N 3.35Å; D320-N328 VanDerWaalsContact OD1-CA 3.32Å; D320-N328 WeakPolarHBondContact OD1-CA 3.32Å; D320-N328 PolarHBondContact OD1-N 3.28Å; D320-N328 PolarHBondContact OD2-N 3.06Å; D320-S329 PolarHBondContact OD1-N 3.26Å; D320-R349 PolarHBondContact O-NH1 3.25Å; D320-R349 PolarHBondContact O-NH2 3.34Å
321L92.4Very high92.9Very high57 Ų5751 Ų5130%0.29827%0.271SS..SBendtrans-66.3-44.3170.8179.866.9000111.2R332L321-R332 HydrophobicContact CB-CB 4.37Å; L321-R332 HydrophobicContact CD1-CB 4.22Å; L321-R332 HydrophobicContact CD2-CB 4.21Å
322D91.5Very high93.2Very high23 Ų2351.6 Ų51.612%0.12327%0.273CS..  trans-135.294.9175-177.3-25.9000109L324 R325 W326D322-L324 PolarHBondContact O-N 3.37Å; D322-L324 WeakPolarHBondContact OD1-CA 3.45Å; D322-L324 WeakPolarHBondContact OD1-CB 3.33Å; D322-L324 PolarHBondContact OD1-N 2.57Å; D322-R325 HydrophobicContact CB-CB 4.41Å; D322-R325 PolarHBondContact OD1-N 3.48Å; D322-R325 WeakPolarHBondContact OD2-CB 3.24Å; D322-R325 WeakPolarHBondContact OD2-CD 3.28Å; D322-R325 VanDerWaalsContact OD2-CG 3.24Å; D322-R325 WeakPolarHBondContact OD2-CG 3.5Å; D322-R325 IonicContact OD2-NE 3.61Å; D322-W326 CarbonylContact O-C 3.49Å; D322-W326 WeakPolarHBondContact O-CA 3.46Å; D322-W326 PolarHBondContact O-N 3.22Å
323P91.6Very high93.4Very high76 Ų7650.5 Ų50.549%0.49427%0.268SS..THydrogen-bonded Turntrans-68.5-11.2179.4-15.727.2000114.6D320 K327D320-P323 HydrophobicContact CB-CB 4.33Å; D320-P323 HydrophobicContact CB-CG 4.06Å; P323-K327 WeakPolarHBondContact O-CE 3.32Å; P323-K327 WeakPolarHBondContact O-CG 3.27Å
324L90.9Very high93.6Very high157 Ų15750.5 Ų50.582%0.82227%0.268SS*.THydrogen-bonded Turntrans-86.7-47-179.9-59.8178.5000110.3D322D322-L324 PolarHBondContact O-N 3.37Å; D322-L324 WeakPolarHBondContact OD1-CA 3.45Å; D322-L324 WeakPolarHBondContact OD1-CB 3.33Å; D322-L324 PolarHBondContact OD1-N 2.57Å
325R91.3Very high93.7Very high111 Ų11152.6 Ų52.642%0.41928%0.275SS..THydrogen-bonded Turntrans-90.8-36.6-176.7-67.6-170.1-168.8-79.96.5114.1T64 V65 S67 D322T64-R325 PolarHBondContact OG1-NE 2.78Å; T64-R325 PolarHBondContact OG1-NH2 3.48Å; V65-R325 WeakPolarHBondContact O-CD 3.46Å; S67-R325 PolarHBondContact OG-NH1 2.85Å; D322-R325 HydrophobicContact CB-CB 4.41Å; D322-R325 PolarHBondContact OD1-N 3.48Å; D322-R325 WeakPolarHBondContact OD2-CB 3.24Å; D322-R325 WeakPolarHBondContact OD2-CD 3.28Å; D322-R325 VanDerWaalsContact OD2-CG 3.24Å; D322-R325 WeakPolarHBondContact OD2-CG 3.5Å; D322-R325 IonicContact OD2-NE 3.61Å
326W93.5Very high93.7Very high5 Ų553 Ų532%0.01928%0.278CS..SBendtrans-133.255.6-164-67.2110.1000111.8P47 Q48 V65 P66 L71 L250 D322 S329P47-W326 HydrophobicContact CB-CH2 3.79Å; P47-W326 HydrophobicContact CB-CZ2 4.44Å; P47-W326 HydrophobicContact CB-CZ3 4.39Å; P47-W326 HydrophobicContact CG-CH2 4.18Å; P47-W326 HydrophobicContact CG-CZ3 4.35Å; Q48-W326 HydrophobicContact CG-CB 4.43Å; Q48-W326 HydrophobicContact CG-CD2 3.64Å; Q48-W326 HydrophobicContact CG-CE3 4.27Å; Q48-W326 HydrophobicContact CG-CG 3.73Å; Q48-W326 HydrophobicContact CG-CZ2 4.17Å; V65-W326 PolarHBondContact O-NE1 3.48Å; P66-W326 VanDerWaalsContact O-CZ2 3.24Å; P66-W326 WeakPolarHBondContact O-CZ2 3.38Å; P66-W326 PolarHBondContact O-NE1 2.97Å; L71-W326 HydrophobicContact CD2-CH2 4.13Å; L71-W326 HydrophobicContact CG-CH2 4.3Å; L71-W326 HydrophobicContact CG-CZ3 4.47Å; L250-W326 HydrophobicContact CD2-CH2 4.1Å; L250-W326 HydrophobicContact CD2-CZ2 4.06Å; D322-W326 CarbonylContact O-C 3.49Å; D322-W326 WeakPolarHBondContact O-CA 3.46Å; D322-W326 PolarHBondContact O-N 3.22Å; W326-S329 WeakPolarHBondContact O-CB 3.39Å; W326-S329 PolarHBondContact O-N 2.9Å
327K91.7Very high93.5Very high146 Ų14650.3 Ų50.364%0.63527%0.267SS*.THydrogen-bonded Turntrans-52.7139.9179-66.6175.8-177.1-177.50112.9D320 P323 S329D320-K327 WeakPolarHBondContact OD2-CA 3.27Å; P323-K327 WeakPolarHBondContact O-CE 3.32Å; P323-K327 WeakPolarHBondContact O-CG 3.27Å; K327-S329 PolarHBondContact O-N 2.85Å
328N91.3Very high93.4Very high122 Ų12252.1 Ų52.165%0.65227%0.27SS*.THydrogen-bonded Turntrans52.344.1178.6-56.2-24.2000111.8S73 K74 D320S73-N328 PolarHBondContact OG-O 3.09Å; K74-N328 PolarHBondContact NZ-O 2.87Å; D320-N328 VanDerWaalsContact CG-N 3.35Å; D320-N328 VanDerWaalsContact OD1-CA 3.32Å; D320-N328 WeakPolarHBondContact OD1-CA 3.32Å; D320-N328 PolarHBondContact OD1-N 3.28Å; D320-N328 PolarHBondContact OD2-N 3.06Å
329S95.5Very high92.9Very high0 Ų051.9 Ų51.90%027%0.27CS..  trans-96.1128.6177.4-172.30000110.8Q48 D320 W326 K327 W331 N333Q48-S329 VanDerWaalsContact OE1-CB 3.27Å; Q48-S329 PolarHBondContact OE1-OG 3.06Å; D320-S329 PolarHBondContact OD1-N 3.26Å; W326-S329 WeakPolarHBondContact O-CB 3.39Å; W326-S329 PolarHBondContact O-N 2.9Å; K327-S329 PolarHBondContact O-N 2.85Å; S329-W331 PolarHBondContact O-N 2.82Å; S329-W331 WeakPolarHBondContact OG-CB 3.44Å; S329-W331 PolarHBondContact OG-N 2.91Å; S329-N333 WeakPolarHBondContact O-CB 3.33Å
330H95.3Very high92.3Very high46 Ų4653.2 Ų53.221%0.21327%0.267CS..  trans-86.53.8174.7-55.8159.5000112.1Y283 R332 N333 W353Y283-H330 HydrophobicContact CE2-CB 4.45Å; Y283-H330 AromaticContact CE2-ND1 3.8Å; Y283-H330 AromaticContact CZ-ND1 3.73Å; Y283-H330 PolarHBondContact OH-CE1 3.03Å; Y283-H330 PolarHBondContact OH-ND1 2.9Å; H330-R332 PolarHBondContact O-N 3.36Å; H330-N333 PolarHBondContact O-OD1 3.39Å; H330-N333 VanDerWaalsContact O-OD1 3.12Å; H330-W353 HydrophobicContact CB-CH2 4.41Å; H330-W353 HydrophobicContact CB-CZ3 3.83Å; H330-W353 WeakPolarHBondContact O-CH2 3.29Å; H330-W353 WeakPolarHBondContact O-CZ3 3.46Å
331W96.5Very high91.1Very high0 Ų057.8 Ų57.80%030%0.302CS..THydrogen-bonded Turntrans-74.8120172.8-171-98.2000110.5F46 Q48 G49 E52 E275 F276 S329 N333 W353F46-W331 HydrophobicContact CB-CD2 4.38Å; F46-W331 HydrophobicContact CB-CE3 3.63Å; F46-W331 HydrophobicContact CB-CZ3 4.13Å; F46-W331 HydrophobicContact CD1-CB 4.25Å; F46-W331 HydrophobicContact CD1-CE3 4.26Å; F46-W331 HydrophobicContact CD2-CE3 4.35Å; F46-W331 AromaticContact CG-CE3 3.83Å; F46-W331 HydrophobicContact CG-CE3 3.83Å; F46-W331 HydrophobicContact CG-CZ3 4.45Å; Q48-W331 HydrophobicContact CB-CB 4.3Å; Q48-W331 HydrophobicContact CB-CD2 4.45Å; Q48-W331 HydrophobicContact CB-CG 3.84Å; G49-W331 VanDerWaalsContact CA-CE2 3.43Å; E52-W331 VanDerWaalsContact CD-NE1 3.29Å; E52-W331 PolarHBondContact OE1-NE1 3.18Å; E275-W331 WeakPolarHBondContact O-CH2 3.45Å; E275-W331 VanDerWaalsContact O-CZ3 3.24Å; E275-W331 WeakPolarHBondContact O-CZ3 3.37Å; F276-W331 HydrophobicContact CB-CH2 3.9Å; F276-W331 HydrophobicContact CB-CZ3 3.82Å; S329-W331 PolarHBondContact O-N 2.82Å; S329-W331 WeakPolarHBondContact OG-CB 3.44Å; S329-W331 PolarHBondContact OG-N 2.91Å; W331-N333 PolarHBondContact O-N 2.81Å; W331-N333 VanDerWaalsContact O-N 3.12Å; W331-W353 HydrophobicContact CE3-CH2 4.13Å; W331-W353 AromaticContact CE3-CZ2 3.68Å; W331-W353 HydrophobicContact CE3-CZ2 3.68Å; W331-W353 AromaticContact CZ3-CZ2 3.8Å; W331-W353 HydrophobicContact CZ3-CZ2 3.8Å
332R94.7Very high89.4Confident26 Ų2656.2 Ų56.210%0.09830%0.295CS..THydrogen-bonded Turntrans50.533.4-178.4-66.4-163.8-171.1-61.7-10.6114.5E52 S274 L321 H330 L334 R349 V350 S351E52-R332 VanDerWaalsContact CD-NE 3.33Å; E52-R332 WeakPolarHBondContact OE1-CD 3.29Å; E52-R332 IonicContact OE1-CZ 3.77Å; E52-R332 IonicContact OE1-NE 3.81Å; E52-R332 PolarHBondContact OE1-NE 2.8Å; E52-R332 IonicContact OE2-CZ 2.73Å; E52-R332 VanDerWaalsContact OE2-CZ 3.25Å; E52-R332 IonicContact OE2-NE 2.75Å; E52-R332 PolarHBondContact OE2-NE 3.28Å; E52-R332 IonicContact OE2-NH2 2.74Å; E52-R332 PolarHBondContact OE2-NH2 3.13Å; S274-R332 PolarHBondContact OG-NH2 3.03Å; L321-R332 HydrophobicContact CB-CB 4.37Å; L321-R332 HydrophobicContact CD1-CB 4.22Å; L321-R332 HydrophobicContact CD2-CB 4.21Å; H330-R332 PolarHBondContact O-N 3.36Å; R332-L334 VanDerWaalsContact C-N 3.31Å; R332-L334 PolarHBondContact O-N 3Å; R332-R349 HydrophobicContact CB-CB 3.97Å; R332-R349 PolarHBondContact NH1-O 3.38Å; R332-R349 WeakPolarHBondContact O-CD 3.13Å; R332-R349 PolarHBondContact O-NH1 3.42Å; R332-V350 CarbonylContact C-O 3.59Å; R332-V350 VanDerWaalsContact C-O 3.29Å; R332-V350 WeakPolarHBondContact CA-O 3.31Å; R332-S351 PolarHBondContact N-OG 2.94Å
333N95.1Very high87.5Confident16 Ų1658.9 Ų58.99%0.08632%0.32CS..  trans-79.4-7.6-172.273.1-41.1000114.9I318 G319 S329 H330 W331 V350 I352I318-N333 WeakPolarHBondContact CA-O 3.28Å; G319-N333 PolarHBondContact N-O 3.05Å; G319-N333 CarbonylContact O-C 3.36Å; G319-N333 WeakPolarHBondContact O-CA 3.44Å; G319-N333 VanDerWaalsContact O-O 3.1Å; S329-N333 WeakPolarHBondContact O-CB 3.33Å; H330-N333 PolarHBondContact O-OD1 3.39Å; H330-N333 VanDerWaalsContact O-OD1 3.12Å; W331-N333 PolarHBondContact O-N 2.81Å; W331-N333 VanDerWaalsContact O-N 3.12Å; N333-V350 PolarHBondContact N-O 3.15Å; N333-I352 PolarHBondContact OD1-N 3.08Å
334L95.2Very high85.7Confident0 Ų058.8 Ų58.80%032%0.321CS..EExtended strand (participates in β ladder)trans-108.3118.9177-50.8-179.1000109.5V291 I315 I318 R332 V336 R349 V350 I352 I355V291-L334 HydrophobicContact CG2-CD2 4.04Å; I315-L334 HydrophobicContact CD1-CD1 4.23Å; I318-L334 HydrophobicContact CG1-CD2 3.93Å; I318-L334 HydrophobicContact CG2-CD2 4.19Å; R332-L334 VanDerWaalsContact C-N 3.31Å; R332-L334 PolarHBondContact O-N 3Å; L334-V336 HydrophobicContact CB-CG1 4.5Å; L334-R349 CarbonylContact O-C 3.6Å; L334-R349 WeakPolarHBondContact O-CA 3.31Å; L334-V350 HydrophobicContact CB-CG2 4.16Å; L334-V350 WeakPolarHBondContact CB-O 3.49Å; L334-V350 PolarHBondContact N-O 3.06Å; L334-V350 PolarHBondContact O-N 3.1Å; L334-I352 HydrophobicContact CD1-CB 4.17Å; L334-I352 HydrophobicContact CD1-CG1 4.35Å; L334-I355 HydrophobicContact CD1-CD1 3.45Å; L334-I355 VanDerWaalsContact CD1-CD1 3.45Å; L334-I355 HydrophobicContact CD1-CG1 4.11Å
335Q95.2Very high83.9Confident81 Ų8161 Ų6138%0.37933%0.327SS..EExtended strand (participates in β ladder)trans-80.3139.3165.1-57.9176.39.600108.7T316 G317 T348 R349T316-Q335 PolarHBondContact N-O 2.96Å; T316-Q335 VanDerWaalsContact OG1-C 3.25Å; T316-Q335 PolarHBondContact OG1-O 3.4Å; G317-Q335 PolarHBondContact N-O 2.8Å; G317-Q335 PolarHBondContact O-N 2.7Å; Q335-T348 WeakPolarHBondContact CA-O 3.3Å; Q335-R349 HydrophobicContact CB-CG 4.45Å; Q335-R349 HydrophobicContact CG-CG 3.86Å
336V93.2Very high82.6Confident10 Ų1057.5 Ų57.56%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-136.8138-172.1-67.20000112.9F297 T314 T316 L334 W338 T348 V350F297-V336 HydrophobicContact CD1-CG1 4.37Å; F297-V336 HydrophobicContact CE1-CB 3.79Å; F297-V336 HydrophobicContact CE1-CG1 3.38Å; F297-V336 HydrophobicContact CZ-CB 3.72Å; F297-V336 HydrophobicContact CZ-CG1 3.52Å; F297-V336 HydrophobicContact CZ-CG2 4.28Å; T314-V336 WeakPolarHBondContact O-CA 3.49Å; T316-V336 PolarHBondContact OG1-N 2.77Å; L334-V336 HydrophobicContact CB-CG1 4.5Å; V336-W338 HydrophobicContact CG2-CZ2 3.9Å; V336-T348 PolarHBondContact N-O 3.24Å; V336-V350 HydrophobicContact CG1-CG2 3.68Å; V336-V350 HydrophobicContact CG2-CG1 4.19Å; V336-V350 HydrophobicContact CG2-CG2 4.19Å
337G91.2Very high81.8Confident28 Ų2860.3 Ų60.329%0.28932%0.324SS..EExtended strand (participates in β ladder)trans-98.6144.8162.600000110.1G313 T314G313-G337 CarbonylContact C-O 3.51Å; G313-G337 WeakPolarHBondContact CA-O 3.3Å; T314-G337 PolarHBondContact N-O 3.49Å; T314-G337 PolarHBondContact O-N 3.3Å
338W90.7Very high81.6Confident48 Ų4858.5 Ų58.518%0.18233%0.326CS..EExtended strand (participates in β ladder)trans-110.1140.4-176.9-63.497.5000111.3F297 M299 F301 V336 R346 R347 V350F297-W338 AromaticContact CE2-CH2 3.64Å; F297-W338 HydrophobicContact CE2-CH2 3.64Å; F297-W338 HydrophobicContact CE2-CZ2 4.43Å; F297-W338 AromaticContact CE2-CZ3 3.71Å; F297-W338 HydrophobicContact CE2-CZ3 3.71Å; F297-W338 HydrophobicContact CZ-CE3 4.36Å; F297-W338 AromaticContact CZ-CH2 3.86Å; F297-W338 HydrophobicContact CZ-CH2 3.86Å; F297-W338 HydrophobicContact CZ-CZ2 4.26Å; F297-W338 AromaticContact CZ-CZ3 3.92Å; F297-W338 HydrophobicContact CZ-CZ3 3.92Å; M299-W338 HydrophobicContact CB-CH2 3.95Å; M299-W338 HydrophobicContact CB-CZ3 4.21Å; M299-W338 HydrophobicContact CG-CH2 4.34Å; M299-W338 HydrophobicContact SD-CH2 3.8Å; M299-W338 HydrophobicContact SD-CZ2 4.42Å; F301-W338 AromaticContact CE2-CH2 3.57Å; F301-W338 HydrophobicContact CE2-CH2 3.57Å; F301-W338 HydrophobicContact CE2-CZ2 4.35Å; F301-W338 AromaticContact CE2-CZ3 3.8Å; F301-W338 HydrophobicContact CE2-CZ3 3.8Å; F301-W338 AromaticContact CZ-CH2 3.61Å; F301-W338 HydrophobicContact CZ-CH2 3.61Å; F301-W338 AromaticContact CZ-CZ2 3.93Å; F301-W338 HydrophobicContact CZ-CZ2 3.93Å; F301-W338 HydrophobicContact CZ-CZ3 4.16Å; V336-W338 HydrophobicContact CG2-CZ2 3.9Å; W338-R346 HydrophobicContact CG-CB 4.49Å; W338-R347 PolarHBondContact NE1-O 3.3Å; W338-V350 HydrophobicContact CZ2-CG1 4.33Å
339D86.9Confident81.7Confident73 Ų7354.9 Ų54.939%0.3930%0.303SS..SBendtrans-75.8-30.5-175.2-67.1-48.4000113.5R296 M312 G313R296-D339 IonicContact CZ-OD1 3.77Å; R296-D339 IonicContact CZ-OD2 2.94Å; R296-D339 IonicContact NH2-OD1 2.68Å; R296-D339 PolarHBondContact NH2-OD1 2.81Å; R296-D339 IonicContact NH2-OD2 3.86Å; R296-D339 PolarHBondContact NH2-OD2 3.49Å; M312-D339 VanDerWaalsContact C-OD2 3.28Å; M312-D339 HydrophobicContact CB-CB 4.34Å; M312-D339 WeakPolarHBondContact CB-OD2 3.46Å; M312-D339 PolarHBondContact O-N 3.44Å; M312-D339 VanDerWaalsContact O-N 3.11Å; G313-D339 PolarHBondContact N-OD2 3.29Å
340E80.8Confident81.7Confident61 Ų6154.9 Ų54.929%0.28530%0.303SS..SBendtrans-116.6132.3-179-67.5174.9-169.200110.4R309 Y311 T342 R346R309-E340 IonicContact CZ-OE2 3.89Å; R309-E340 IonicContact NH2-OE2 3.67Å; R309-E340 PolarHBondContact NH2-OE2 2.77Å; Y311-E340 WeakPolarHBondContact CD1-OE2 3.4Å; Y311-E340 VanDerWaalsContact CE1-OE2 3.29Å; Y311-E340 WeakPolarHBondContact CE1-OE2 3.49Å; E340-T342 PolarHBondContact O-N 2.93Å; E340-R346 VanDerWaalsContact O-CZ 3.28Å; E340-R346 PolarHBondContact O-NH1 3.08Å; E340-R346 PolarHBondContact O-NH2 3.42Å
341S68.9Low81.7Confident127 Ų12752.7 Ų52.789%0.88829%0.293SS*.  trans-74.4102.2169.4-57.50000110.9
342T57.1Low81.6Confident25 Ų2553.3 Ų53.315%0.15330%0.296CS..  trans-88.2150.5170.446.80000111.7Y311 E340 S344 R346Y311-T342 HydrophobicContact CD1-CG2 3.99Å; Y311-T342 HydrophobicContact CE1-CG2 3.23Å; Y311-T342 HydrophobicContact CE2-CG2 4.22Å; Y311-T342 WeakPolarHBondContact OH-CG2 3.32Å; E340-T342 PolarHBondContact O-N 2.93Å; T342-S344 PolarHBondContact O-N 3.13Å; T342-S344 PolarHBondContact OG1-O 3.15Å; T342-R346 WeakPolarHBondContact OG1-CG 3.38Å; T342-R346 PolarHBondContact OG1-NE 2.97Å; T342-R346 VanDerWaalsContact OG1-NE 3.14Å; T342-R346 PolarHBondContact OG1-NH1 3.03Å; T342-R346 PolarHBondContact OG1-NH2 3.19Å
343A50.6Low81.6Confident79 Ų7952.9 Ų52.965%0.65329%0.294SS*.SBendtrans-68.4-14.4176.600000114.6F903A343-F903 HydrophobicContact CB-CD1 4.27Å; A343-F903 HydrophobicContact CB-CE1 3.5Å; A343-F903 HydrophobicContact CB-CE2 4.07Å; A343-F903 HydrophobicContact CB-CZ 3.39Å
344S53.6Low81.5Confident74 Ų7453.6 Ų53.652%0.51730%0.297SS..SBendtrans-84122.7166.249.70000110.4T342 R346T342-S344 PolarHBondContact O-N 3.13Å; T342-S344 PolarHBondContact OG1-O 3.15Å; S344-R346 WeakPolarHBondContact O-CG 3.37Å; S344-R346 PolarHBondContact O-N 3.24Å
345E53.7Low81.4Confident202 Ų20254.2 Ų54.294%0.94430%0.3SS*.  trans-57.2103179.8-174.1161.7-152.500110.6
346R63.5Low81.1Confident39 Ų3953.6 Ų53.615%0.14730%0.297CS..  trans-82.4136.9-167.9-73.8-140.2-152.478-11.1112.8W338 E340 T342 S344 T348W338-R346 HydrophobicContact CG-CB 4.49Å; E340-R346 VanDerWaalsContact O-CZ 3.28Å; E340-R346 PolarHBondContact O-NH1 3.08Å; E340-R346 PolarHBondContact O-NH2 3.42Å; T342-R346 WeakPolarHBondContact OG1-CG 3.38Å; T342-R346 PolarHBondContact OG1-NE 2.97Å; T342-R346 VanDerWaalsContact OG1-NE 3.14Å; T342-R346 PolarHBondContact OG1-NH1 3.03Å; T342-R346 PolarHBondContact OG1-NH2 3.19Å; S344-R346 WeakPolarHBondContact O-CG 3.37Å; S344-R346 PolarHBondContact O-N 3.24Å; R346-T348 PolarHBondContact O-N 3.02Å
347R76.6Confident80.8Confident63 Ų6354.5 Ų54.524%0.23830%0.304CS..  trans-42.7120.6164.6-62.8169.2177.8-167.8-3.7110.9S274 W338 R349 V350 E354S274-R347 PolarHBondContact OG-NH1 3.29Å; S274-R347 PolarHBondContact OG-NH2 3.22Å; W338-R347 PolarHBondContact NE1-O 3.3Å; R347-R349 VanDerWaalsContact C-N 3.27Å; R347-V350 HydrophobicContact CB-CG1 4.41Å; R347-E354 IonicContact NH1-OE1 2.78Å; R347-E354 PolarHBondContact NH1-OE1 2.82Å
348T88.4Confident80.3Confident108 Ų10854.9 Ų54.966%0.66330%0.3SS*.SBendtrans-75.8-17.5170540000112.4Q335 V336 R346Q335-T348 WeakPolarHBondContact CA-O 3.3Å; V336-T348 PolarHBondContact N-O 3.24Å; R346-T348 PolarHBondContact O-N 3.02Å
349R93.4Very high79.2Confident46 Ų4657.4 Ų57.417%0.17433%0.332CS..EExtended strand (participates in β ladder)trans-133.5136176.9-75.4176.1165.3-98.416.8113.6G319 D320 R332 L334 Q335 R347G319-R349 PolarHBondContact O-NH1 3.47Å; D320-R349 PolarHBondContact O-NH1 3.25Å; D320-R349 PolarHBondContact O-NH2 3.34Å; R332-R349 HydrophobicContact CB-CB 3.97Å; R332-R349 PolarHBondContact NH1-O 3.38Å; R332-R349 WeakPolarHBondContact O-CD 3.13Å; R332-R349 PolarHBondContact O-NH1 3.42Å; L334-R349 CarbonylContact O-C 3.6Å; L334-R349 WeakPolarHBondContact O-CA 3.31Å; Q335-R349 HydrophobicContact CB-CG 4.45Å; Q335-R349 HydrophobicContact CG-CG 3.86Å; R347-R349 VanDerWaalsContact C-N 3.27Å
350V94.1Very high77.6Confident0 Ų057.6 Ų57.60%034%0.335CS..EExtended strand (participates in β ladder)trans-131.1162.5178-60.40000110.6M299 R332 N333 L334 V336 W338 R347 E354 I355M299-V350 HydrophobicContact SD-CG1 3.97Å; R332-V350 CarbonylContact C-O 3.59Å; R332-V350 VanDerWaalsContact C-O 3.29Å; R332-V350 WeakPolarHBondContact CA-O 3.31Å; N333-V350 PolarHBondContact N-O 3.15Å; L334-V350 HydrophobicContact CB-CG2 4.16Å; L334-V350 WeakPolarHBondContact CB-O 3.49Å; L334-V350 PolarHBondContact N-O 3.06Å; L334-V350 PolarHBondContact O-N 3.1Å; V336-V350 HydrophobicContact CG1-CG2 3.68Å; V336-V350 HydrophobicContact CG2-CG1 4.19Å; V336-V350 HydrophobicContact CG2-CG2 4.19Å; W338-V350 HydrophobicContact CZ2-CG1 4.33Å; R347-V350 HydrophobicContact CB-CG1 4.41Å; V350-E354 HydrophobicContact CB-CB 4.5Å; V350-I355 HydrophobicContact CB-CG2 4.49Å; V350-I355 HydrophobicContact CG2-CG2 3.65Å
351S95.6Very high75.7Confident0 Ų059.7 Ų59.70%035%0.354CS..  trans-96.1150.5179.4-39.50000110.1R332 W353 E354R332-S351 PolarHBondContact N-OG 2.94Å; S351-W353 VanDerWaalsContact CB-CE2 3.46Å; S351-W353 PolarHBondContact O-N 2.96Å; S351-E354 WeakPolarHBondContact CB-OE2 3.33Å; S351-E354 PolarHBondContact N-OE2 3.15Å; S351-E354 WeakPolarHBondContact O-CB 3.43Å; S351-E354 PolarHBondContact O-N 3.39Å; S351-E354 PolarHBondContact OG-OE2 3.47Å
352I94.9Very high74.3Confident13 Ų1360.9 Ų60.97%0.06734%0.344CS..THydrogen-bonded Turntrans-58.1-24.7-172.2-167.7169.3000115.1A286 L287 V291 N333 L334 I355A286-I352 HydrophobicContact CB-CG1 4.26Å; A286-I352 HydrophobicContact CB-CG2 4.1Å; A286-I352 WeakPolarHBondContact O-CD1 3.48Å; L287-I352 HydrophobicContact CD2-CD1 4.5Å; L287-I352 HydrophobicContact CD2-CG2 4.29Å; V291-I352 HydrophobicContact CG1-CD1 4.22Å; V291-I352 HydrophobicContact CG1-CG1 4.26Å; V291-I352 HydrophobicContact CG2-CD1 3.69Å; V291-I352 HydrophobicContact CG2-CG1 4.4Å; N333-I352 PolarHBondContact OD1-N 3.08Å; L334-I352 HydrophobicContact CD1-CB 4.17Å; L334-I352 HydrophobicContact CD1-CG1 4.35Å; I352-I355 WeakPolarHBondContact O-CG1 3.34Å
353W94.6Very high73.5Confident17 Ų1769.6 Ų69.66%0.06438%0.375CS..THydrogen-bonded Turntrans-89.4-3.3176.258.778.9000114.9F46 I278 K282 Y283 A286 H330 W331 S351F46-W353 HydrophobicContact CD1-CH2 4.1Å; F46-W353 AromaticContact CD2-CH2 3.97Å; F46-W353 HydrophobicContact CD2-CH2 3.97Å; F46-W353 HydrophobicContact CD2-CZ2 4.1Å; F46-W353 AromaticContact CE1-CH2 3.61Å; F46-W353 HydrophobicContact CE1-CH2 3.61Å; F46-W353 HydrophobicContact CE1-CZ3 4.07Å; F46-W353 AromaticContact CE2-CH2 3.47Å; F46-W353 HydrophobicContact CE2-CH2 3.47Å; F46-W353 VanDerWaalsContact CE2-CH2 3.47Å; F46-W353 AromaticContact CE2-CZ2 3.89Å; F46-W353 HydrophobicContact CE2-CZ2 3.89Å; F46-W353 AromaticContact CE2-CZ3 3.9Å; F46-W353 HydrophobicContact CE2-CZ3 3.9Å; F46-W353 HydrophobicContact CG-CH2 4.26Å; F46-W353 HydrophobicContact CZ-CE3 4.49Å; F46-W353 AromaticContact CZ-CH2 3.28Å; F46-W353 HydrophobicContact CZ-CH2 3.28Å; F46-W353 HydrophobicContact CZ-CZ2 4.17Å; F46-W353 AromaticContact CZ-CZ3 3.48Å; F46-W353 HydrophobicContact CZ-CZ3 3.48Å; F46-W353 VanDerWaalsContact CZ-CZ3 3.48Å; I278-W353 HydrophobicContact CD1-CD2 4.4Å; I278-W353 HydrophobicContact CD1-CG 4.26Å; I278-W353 HydrophobicContact CD1-CZ2 4.5Å; I278-W353 VanDerWaalsContact CD1-NE1 3.28Å; I278-W353 HydrophobicContact CG1-CD2 4.06Å; I278-W353 HydrophobicContact CG1-CG 4.28Å; I278-W353 HydrophobicContact CG1-CZ2 4.14Å; I278-W353 HydrophobicContact CG2-CB 4.49Å; I278-W353 HydrophobicContact CG2-CG 4.2Å; K282-W353 HydrophobicContact CG-CB 4.47Å; Y283-W353 AromaticContact CD2-CE3 3.87Å; Y283-W353 HydrophobicContact CD2-CE3 3.87Å; Y283-W353 AromaticContact CD2-CZ3 3.96Å; Y283-W353 HydrophobicContact CD2-CZ3 3.96Å; Y283-W353 HydrophobicContact CE2-CE3 4.34Å; Y283-W353 HydrophobicContact CE2-CZ3 4.03Å; A286-W353 HydrophobicContact CB-CB 3.92Å; H330-W353 HydrophobicContact CB-CH2 4.41Å; H330-W353 HydrophobicContact CB-CZ3 3.83Å; H330-W353 WeakPolarHBondContact O-CH2 3.29Å; H330-W353 WeakPolarHBondContact O-CZ3 3.46Å; W331-W353 HydrophobicContact CE3-CH2 4.13Å; W331-W353 AromaticContact CE3-CZ2 3.68Å; W331-W353 HydrophobicContact CE3-CZ2 3.68Å; W331-W353 AromaticContact CZ3-CZ2 3.8Å; W331-W353 HydrophobicContact CZ3-CZ2 3.8Å; S351-W353 VanDerWaalsContact CB-CE2 3.46Å; S351-W353 PolarHBondContact O-N 2.96Å
354E93.1Very high72.8Confident31 Ų3171.1 Ų71.115%0.14537%0.371CS..THydrogen-bonded Turntrans-85.1-16.3173.2-65.4179.789.500111.9M299 R347 V350 S351M299-E354 HydrophobicContact CE-CB 3.97Å; M299-E354 WeakPolarHBondContact CG-O 3.46Å; M299-E354 HydrophobicContact SD-CB 4.29Å; R347-E354 IonicContact NH1-OE1 2.78Å; R347-E354 PolarHBondContact NH1-OE1 2.82Å; V350-E354 HydrophobicContact CB-CB 4.5Å; S351-E354 WeakPolarHBondContact CB-OE2 3.33Å; S351-E354 PolarHBondContact N-OE2 3.15Å; S351-E354 WeakPolarHBondContact O-CB 3.43Å; S351-E354 PolarHBondContact O-N 3.39Å; S351-E354 PolarHBondContact OG-OE2 3.47Å
355I92.6Very high71.7Confident13 Ų1372.6 Ų72.67%0.06738%0.38CS..  trans-110151.7-175.166.2162.1000112.9V291 F297 I315 L334 V350 I352 P357V291-I355 HydrophobicContact CG1-CD1 4.16Å; F297-I355 HydrophobicContact CB-CB 4.14Å; F297-I355 HydrophobicContact CB-CD1 4.06Å; F297-I355 HydrophobicContact CD2-CB 3.72Å; F297-I355 HydrophobicContact CD2-CG2 3.41Å; F297-I355 VanDerWaalsContact CD2-CG2 3.41Å; F297-I355 HydrophobicContact CE2-CB 4.47Å; F297-I355 HydrophobicContact CE2-CG2 3.67Å; F297-I355 HydrophobicContact CG-CB 4.1Å; F297-I355 HydrophobicContact CG-CD1 4.24Å; F297-I355 HydrophobicContact CG-CG2 4.04Å; F297-I355 HydrophobicContact CZ-CG2 4.48Å; I315-I355 HydrophobicContact CD1-CD1 3.99Å; L334-I355 HydrophobicContact CD1-CD1 3.45Å; L334-I355 VanDerWaalsContact CD1-CD1 3.45Å; L334-I355 HydrophobicContact CD1-CG1 4.11Å; V350-I355 HydrophobicContact CB-CG2 4.49Å; V350-I355 HydrophobicContact CG2-CG2 3.65Å; I352-I355 WeakPolarHBondContact O-CG1 3.34Å; I355-P357 HydrophobicContact CD1-CG 4.29Å
356E90.1Very high70.8Confident68 Ų6868.2 Ų68.232%0.31837%0.369SS..EExtended strand (participates in β ladder)trans-116.4106.5168.7-60.8173.685.200108.3R298R298-E356 HydrophobicContact CG-CB 3.82Å; R298-E356 WeakPolarHBondContact CG-O 3.48Å; R298-E356 IonicContact CZ-OE1 3.43Å; R298-E356 IonicContact CZ-OE2 3.6Å; R298-E356 PolarHBondContact N-O 2.87Å; R298-E356 IonicContact NH1-OE1 3.59Å; R298-E356 PolarHBondContact NH1-OE1 3.46Å; R298-E356 IonicContact NH1-OE2 2.69Å; R298-E356 PolarHBondContact NH1-OE2 3.02Å; R298-E356 IonicContact NH2-OE1 2.78Å; R298-E356 PolarHBondContact NH2-OE1 3.47Å; R298-E356 IonicContact NH2-OE2 3.78Å; R298-E356 PolarHBondContact O-N 3.13Å
357P85.8Confident69.6Low30 Ų3071 Ų7120%0.19539%0.392CS..EExtended strand (participates in β ladder)trans-63.1149.1177.8-29.840.6000113.4T289 V291 M295 I355T289-P357 HydrophobicContact CG2-CB 4.09Å; T289-P357 HydrophobicContact CG2-CG 3.61Å; V291-P357 HydrophobicContact CG1-CG 4.31Å; M295-P357 HydrophobicContact CE-CB 3.68Å; M295-P357 HydrophobicContact SD-CB 3.91Å; M295-P357 HydrophobicContact SD-CG 4.35Å; I355-P357 HydrophobicContact CD1-CG 4.29Å
358V82Confident67.9Low35 Ų3572.9 Ų72.921%0.21241%0.413CS..  trans-97.9103.3-177.1179.10000109.7R296 R298 M312 T360R296-V358 PolarHBondContact O-N 3.4Å; R298-V358 HydrophobicContact CB-CG2 4.48Å; R298-V358 HydrophobicContact CG-CG2 4.4Å; M312-V358 HydrophobicContact CE-CG2 3.98Å; M312-V358 HydrophobicContact SD-CG2 4.31Å; V358-T360 PolarHBondContact O-N 3.19Å; V358-T360 VanDerWaalsContact O-N 3.1Å
359A67.1Low65.5Low102 Ų10276.8 Ų76.884%0.84342%0.421SS*.  trans-69.5-2.4-173.400000115.4
360T53.4Low62.8Low77 Ų7783.3 Ų83.347%0.47245%0.451SS..SBendtrans-117.2113-179.441.80000111.2V358 F362V358-T360 PolarHBondContact O-N 3.19Å; V358-T360 VanDerWaalsContact O-N 3.1Å; T360-F362 VanDerWaalsContact C-N 3.3Å; T360-F362 PolarHBondContact O-N 3.23Å; T360-F362 WeakPolarHBondContact OG1-CE2 3.25Å
361P41.2Very low60Low105 Ų10594 Ų9468%0.68249%0.492SS*.  trans-74.683.5174.730.8-33.8000110.1Y363P361-Y363 HydrophobicContact CB-CE2 4.34Å; P361-Y363 WeakPolarHBondContact O-CD2 3.44Å; P361-Y363 PolarHBondContact O-N 2.88Å
362F40Very low57.4Low151 Ų151100.1 Ų100.166%0.66253%0.531SS*.  trans-66.597.6169.3-71.3-74.3000109.7T360 I364T360-F362 VanDerWaalsContact C-N 3.3Å; T360-F362 PolarHBondContact O-N 3.23Å; T360-F362 WeakPolarHBondContact OG1-CE2 3.25Å; F362-I364 HydrophobicContact CB-CD1 4.4Å; F362-I364 HydrophobicContact CB-CG1 4.02Å; F362-I364 PolarHBondContact O-N 2.69Å
363Y39.9Very low54.3Low209 Ų209109.4 Ų109.482%0.8257%0.571SS**  trans-66.376.2167.6-75.5-87.9000110.4P361 C365P361-Y363 HydrophobicContact CB-CE2 4.34Å; P361-Y363 WeakPolarHBondContact O-CD2 3.44Å; P361-Y363 PolarHBondContact O-N 2.88Å; Y363-C365 PolarHBondContact O-N 3.33Å
364I36.1Very low51.6Low111 Ų111116.7 Ų116.757%0.56961%0.61SS**  trans-79.262.9172.3-48.5-176000109.1F362F362-I364 HydrophobicContact CB-CD1 4.4Å; F362-I364 HydrophobicContact CB-CG1 4.02Å; F362-I364 PolarHBondContact O-N 2.69Å
365C29Very low48.9Very low104 Ų104120.1 Ų120.170%0.70364%0.635SS**  trans-143.589.8166.6-84.60000107.2Y363 P367Y363-C365 PolarHBondContact O-N 3.33Å; C365-P367 WeakPolarHBondContact O-CD 3.43Å
366P36.4Very low46.1Very low110 Ų110128.9 Ų128.971%0.71467%0.673SS**  trans-57.7126.1160.9-14.128.3000107.1
367P36.6Very low43.6Very low97 Ų97134.3 Ų134.363%0.6370%0.698SS**  trans-55.2130.5175.3-25.735000109.5C365 F369C365-P367 WeakPolarHBondContact O-CD 3.43Å; P367-F369 WeakPolarHBondContact O-CD2 3.46Å; P367-F369 PolarHBondContact O-N 3.32Å
368P42.4Very low41.2Very low104 Ų104137.7 Ų137.768%0.67573%0.729SS**  trans-67.2110.4179.626.9-33.2000108.8F370P368-F370 HydrophobicContact CB-CD2 3.98Å; P368-F370 HydrophobicContact CB-CE2 4.11Å; P368-F370 PolarHBondContact O-N 3.2Å
369F36.7Very low39.1Very low190 Ų190139.7 Ų139.783%0.83376%0.756SS**  trans-70.757.7-177.9-81.6-81.5000113.4P367 R371P367-F369 WeakPolarHBondContact O-CD2 3.46Å; P367-F369 PolarHBondContact O-N 3.32Å; F369-R371 PolarHBondContact O-N 2.78Å
370F36.5Very low38Very low183 Ų183143.3 Ų143.380%0.80376%0.758SS**  trans-76.1101.6160.4-70.3-73.1000108.6P368 P372P368-F370 HydrophobicContact CB-CD2 3.98Å; P368-F370 HydrophobicContact CB-CE2 4.11Å; P368-F370 PolarHBondContact O-N 3.2Å; F370-P372 VanDerWaalsContact O-CD 3.31Å; F370-P372 WeakPolarHBondContact O-CD 3.35Å
371R35.4Very low37.4Very low225 Ų225144 Ų14485%0.84976%0.764SS**  trans-79.5115.4163-67-167.4-169.8-164.75.6109F369 K373F369-R371 PolarHBondContact O-N 2.78Å; R371-K373 PolarHBondContact O-N 2.85Å
372P41.3Very low37.2Very low127 Ų127146.2 Ų146.283%0.82577%0.77SS**  trans-69.7127.6166.1-11.929.3000108.8F370F370-P372 VanDerWaalsContact O-CD 3.31Å; F370-P372 WeakPolarHBondContact O-CD 3.35Å
373K30.8Very low37.2Very low209 Ų209147 Ų14791%0.90978%0.781SS**  trans-87.4112167.2-71.9-178.2178.61780108.5R371R371-K373 PolarHBondContact O-N 2.85Å
374L37.6Very low37.3Very low169 Ų169145.6 Ų145.689%0.88578%0.782SS**  trans-112.2136.5166.1-157.166.8000108.9
375P37Very low37.7Very low103 Ų103146.5 Ų146.567%0.66979%0.788SS**  trans-106.2150.9-160.638.1-34.2000115.6
376K33Very low38.6Very low198 Ų198150 Ų15086%0.86179%0.794SS**  trans50.1133.2147.7-75.3-179.2176.1-178.90118.3
377Q37.6Very low39.3Very low181 Ų181150.8 Ų150.885%0.84680%0.797SS**  cis-147.1132.430.3-107.9157.2-26.900108.5
378A34.6Very low39.8Very low102 Ų102151.1 Ų151.184%0.84379%0.79SS**  89.3105.178.600000114
379G39Very low40.1Very low77 Ų77149.3 Ų149.379%0.79478%0.78SS**  trans179.250.9-176.700000119.1
380M44.2Very low41.1Very low178 Ų178143.5 Ų143.588%0.87777%0.766SS**  trans69162.5165.5-79.4-66101.900117
381P40.7Very low41.9Very low92 Ų92142.9 Ų142.960%0.59776%0.764SS**  -125.6174.1-122.446.1-36.7000117.1
382D35.6Very low42.8Very low150 Ų150138.7 Ų138.780%0.80275%0.752SS**  trans40.1105.3147.7-53.8-19.1000119.7
383D41.6Very low43.6Very low167 Ų167142 Ų14289%0.89375%0.747SS**  trans-146.5131.3142-133.3-28.9000109.6
384E40.7Very low44.9Very low181 Ų181135.4 Ų135.485%0.84673%0.732SS**  trans-99.994.6-166-63.7-169.3123.700112.6
385N44.9Very low45.5Very low130 Ų130131.7 Ų131.770%0.69571%0.712SS**  trans-159.7-7.9172.1-109.9-50.9000119.4V387N385-V387 VanDerWaalsContact C-N 3.35Å; N385-V387 PolarHBondContact O-N 2.77Å
386E48.4Very low46Very low177 Ų177131.7 Ų131.783%0.82771%0.712SS**Hα-helixtrans-72.9-18.9-161.8-152.7174.6-164.200115.7
387V50.1Low46.9Very low127 Ų127131.5 Ų131.577%0.7771%0.705SS**Hα-helixtrans-70.6-35.5-173-60.50000114.4N385 S389 A390N385-V387 VanDerWaalsContact C-N 3.35Å; N385-V387 PolarHBondContact O-N 2.77Å; V387-S389 VanDerWaalsContact C-N 3.31Å; V387-S389 PolarHBondContact O-N 3.1Å; V387-A390 PolarHBondContact O-N 3.05Å
388E47.3Very low47.5Very low104 Ų104129 Ų12949%0.48670%0.697SS.*Hα-helixtrans-66.2-36.6-178.9-170.170.7-163.900111.1A390 F391 K392E388-A390 VanDerWaalsContact C-N 3.34Å; E388-A390 PolarHBondContact O-N 3.32Å; E388-F391 PolarHBondContact O-N 2.99Å; E388-K392 PolarHBondContact O-N 2.96Å; E388-K392 WeakPolarHBondContact OE1-CE 3.39Å; E388-K392 IonicContact OE1-NZ 2.9Å; E388-K392 PolarHBondContact OE1-NZ 2.8Å
389S48.4Very low47.3Very low66 Ų66128.5 Ų128.546%0.46269%0.693SS.*Hα-helixtrans-71.3-25.3-176.2-67.50000113.7V387 R393V387-S389 VanDerWaalsContact C-N 3.31Å; V387-S389 PolarHBondContact O-N 3.1Å; S389-R393 WeakPolarHBondContact O-CB 3.5Å; S389-R393 PolarHBondContact O-NH1 3.41Å; S389-R393 VanDerWaalsContact O-NH1 3.1Å
390A57.8Low47.4Very low67 Ų67132.8 Ų132.855%0.55470%0.698SS**Hα-helixtrans-73.9-40175.100000111.5V387 E388 A394V387-A390 PolarHBondContact O-N 3.05Å; E388-A390 VanDerWaalsContact C-N 3.34Å; E388-A390 PolarHBondContact O-N 3.32Å; A390-A394 PolarHBondContact O-N 3.28Å
391F54.2Low47.1Very low170 Ų170130.2 Ų130.275%0.74669%0.688SS**Hα-helixtrans-70.9-45.1-175.4-133-90.2000112.2E388 R393 A394E388-F391 PolarHBondContact O-N 2.99Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 3.26Å; F391-A394 PolarHBondContact O-N 2.72Å; F391-A394 VanDerWaalsContact O-N 3.14Å
392K53.2Low46.6Very low138 Ų138134.5 Ų134.560%0.670%0.697SS**Hα-helixtrans-66.6-29.4178.9-66.9-177.8-177.4167.10113.1E388 A394E388-K392 PolarHBondContact O-N 2.96Å; E388-K392 WeakPolarHBondContact OE1-CE 3.39Å; E388-K392 IonicContact OE1-NZ 2.9Å; E388-K392 PolarHBondContact OE1-NZ 2.8Å; K392-A394 VanDerWaalsContact C-N 3.28Å; K392-A394 PolarHBondContact O-N 2.72Å
393R59.3Low46.4Very low195 Ų195131.8 Ų131.874%0.73670%0.696SS**Hα-helixtrans-71.8-18.9174.9-173.4171.6-75.7105.2-8.3113.5S389 F391S389-R393 WeakPolarHBondContact O-CB 3.5Å; S389-R393 PolarHBondContact O-NH1 3.41Å; S389-R393 VanDerWaalsContact O-NH1 3.1Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 3.26Å
394A58.7Low46Very low71 Ų71131.9 Ų131.959%0.58770%0.696SS**Hα-helixtrans-88.1-17.5-17900000114.5A390 F391 K392A390-A394 PolarHBondContact O-N 3.28Å; F391-A394 PolarHBondContact O-N 2.72Å; F391-A394 VanDerWaalsContact O-N 3.14Å; K392-A394 VanDerWaalsContact C-N 3.28Å; K392-A394 PolarHBondContact O-N 2.72Å
395M49.6Very low45.6Very low92 Ų92132 Ų13245%0.45369%0.694SS.*  trans-139.977.2-173.3-72.6-83.8-128.300111.6W397 L398M395-W397 PolarHBondContact O-N 3.05Å; M395-W397 VanDerWaalsContact O-N 3.16Å; M395-W397 HydrophobicContact SD-CZ2 3.52Å; M395-W397 VanDerWaalsContact SD-CZ2 3.52Å; M395-L398 HydrophobicContact CE-CD1 4.24Å; M395-L398 HydrophobicContact SD-CD1 4.45Å
396P46.3Very low44.9Very low103 Ų103131.7 Ų131.767%0.66969%0.691SS**THydrogen-bonded Turntrans-67.7-13.6-174.2-22.334.8000115.9
397W53.7Low44.1Very low193 Ų193129 Ų12973%0.73169%0.687SS**THydrogen-bonded Turntrans-10121.8-169.153.571.5000114.4M395M395-W397 PolarHBondContact O-N 3.05Å; M395-W397 VanDerWaalsContact O-N 3.16Å; M395-W397 HydrophobicContact SD-CZ2 3.52Å; M395-W397 VanDerWaalsContact SD-CZ2 3.52Å
398L48.4Very low43Very low128 Ų128130.7 Ų130.767%0.6769%0.687SS**SBendtrans-132.720-169.8-97.2167.7000115.7M395M395-L398 HydrophobicContact CE-CD1 4.24Å; M395-L398 HydrophobicContact SD-CD1 4.45Å
399A32.2Very low42Very low93 Ų93133.3 Ų133.377%0.76970%0.704SS**  trans-147.3103.6177.500000113.2
400D39.9Very low41.1Very low167 Ų167134.7 Ų134.789%0.89372%0.719SS**  -153.9164.2127.9-144.1-19000109.6
401D38.3Very low39.8Very low123 Ų123138.9 Ų138.966%0.65873%0.731SS**  trans-139.8156.4-147.6-143.6-14.1000115.7
402F30.1Very low38.9Very low182 Ų182139.5 Ų139.580%0.79873%0.734SS**  trans49.2133.1170.7-65.1-81.8000122.3
403A31.8Very low38.2Very low94 Ų94138.3 Ų138.378%0.77774%0.741SS**  154.190.2113.900000116.9
404L32.2Very low37Very low169 Ų169132.8 Ų132.889%0.88574%0.744SS**  trans32.6105.6136.2-161.585.9000121.5
405K32.4Very low36.4Very low184 Ų184133.8 Ų133.880%0.874%0.739SS**  -171146.6123.8-113.2-174171.9-173.90117.2
406D30.5Very low36.4Very low122 Ų122132.7 Ų132.765%0.65274%0.74SS**  trans32.6107.7153.1-59.8-44.8000122.7
407V30.9Very low36.5Very low120 Ų120131.4 Ų131.473%0.72773%0.728SS**  66.6129.8127.1178.90000121
408Q28.8Very low36.9Very low164 Ų164127.1 Ų127.177%0.76672%0.722SS**  trans80.5121.6165.9-78.3166.875.900119.6
409N25.7Very low37.3Very low159 Ų159126.5 Ų126.585%0.8572%0.716SS**  trans48.487.2148.1-58.88.6000119.9
410A29.2Very low38.2Very low94 Ų94126.4 Ų126.478%0.77770%0.696SS**  trans-151.8170156.700000111.4
411L30.6Very low39Very low156 Ų156121 Ų12182%0.81767%0.666SS**SBendtrans85.4109.1-169.2-52.4171.7000114.3
412F35.7Very low40.1Very low182 Ų182118.3 Ų118.380%0.79866%0.661SS**  cis-149.3137.3-21.4-109.7-70.7000106.7G414F412-G414 PolarHBondContact O-N 3.35Å
413P36.9Very low40.9Very low114 Ų114116.6 Ų116.674%0.7466%0.657SS**PPolyproline II helixtrans-74.2121.5-178.828.6-34.8000112.5L415P413-L415 PolarHBondContact O-N 3.46Å
414G35.8Very low42.2Very low78 Ų78117.2 Ų117.280%0.80464%0.644SS**PPolyproline II helixtrans-67.9121.4169.200000111.3F412 S416F412-G414 PolarHBondContact O-N 3.35Å; G414-S416 PolarHBondContact O-N 3.49Å
415L44.4Very low43.1Very low93 Ų93116.5 Ų116.549%0.48764%0.636SS.*PPolyproline II helixtrans-67.8131.2179.8-66.1-178.9000111.6P413 Q419P413-L415 PolarHBondContact O-N 3.46Å; L415-Q419 HydrophobicContact CD2-CG 4.21Å
416S49.7Very low43.1Very low68 Ų68112.9 Ų112.948%0.47663%0.625SS.*PPolyproline II helixtrans-55.6144.3165.81710000110.8G414 V418 Q419 W420G414-S416 PolarHBondContact O-N 3.49Å; S416-V418 PolarHBondContact O-N 3.21Å; S416-V418 VanDerWaalsContact O-N 3.11Å; S416-V418 PolarHBondContact OG-N 2.88Å; S416-Q419 PolarHBondContact O-N 3.3Å; S416-W420 PolarHBondContact O-N 2.82Å
417L48.6Very low43.3Very low77 Ų77113.2 Ų113.240%0.40363%0.634SS.*Hα-helixtrans-53.3-33.3175.1-176.363.5000111.9W420 M421L417-W420 PolarHBondContact O-N 2.87Å; L417-M421 HydrophobicContact CG-CE 4.21Å; L417-M421 WeakPolarHBondContact O-CG 3.3Å; L417-M421 PolarHBondContact O-N 3.07Å
418V61.8Low43.4Very low102 Ų102114.9 Ų114.962%0.61863%0.634SS**Hα-helixtrans-63-41174.8-178.20000111.7S416 M421 A422S416-V418 PolarHBondContact O-N 3.21Å; S416-V418 VanDerWaalsContact O-N 3.11Å; S416-V418 PolarHBondContact OG-N 2.88Å; V418-M421 PolarHBondContact O-N 2.87Å; V418-A422 WeakPolarHBondContact O-CB 3.36Å; V418-A422 PolarHBondContact O-N 3.4Å
419Q56.8Low43.5Very low115 Ų115114.2 Ų114.254%0.53763%0.633SS.*Hα-helixtrans-76.7-32.4-178.6-167.4162.3-900111.9L415 S416 A422 M423L415-Q419 HydrophobicContact CD2-CG 4.21Å; S416-Q419 PolarHBondContact O-N 3.3Å; Q419-A422 PolarHBondContact O-N 2.85Å; Q419-M423 PolarHBondContact O-N 3.22Å; Q419-M423 VanDerWaalsContact O-N 3.08Å
420W51.8Low43.8Very low91 Ų91115 Ų11535%0.34564%0.636SS.*Hα-helixtrans-65.3-42.7169-170.388.7000111.9Y288 S416 L417 A422 M423 Q424Y288-W420 HydrophobicContact CD1-CZ3 4.03Å; Y288-W420 HydrophobicContact CD2-CZ3 4.47Å; Y288-W420 HydrophobicContact CG-CH2 4.41Å; Y288-W420 AromaticContact CG-CZ3 3.91Å; Y288-W420 HydrophobicContact CG-CZ3 3.91Å; S416-W420 PolarHBondContact O-N 2.82Å; L417-W420 PolarHBondContact O-N 2.87Å; W420-A422 PolarHBondContact O-N 3.44Å; W420-M423 PolarHBondContact O-N 2.97Å; W420-Q424 HydrophobicContact CD2-CG 4.36Å; W420-Q424 HydrophobicContact CE3-CG 4.19Å; W420-Q424 HydrophobicContact CH2-CG 3.87Å; W420-Q424 HydrophobicContact CZ2-CG 4.05Å; W420-Q424 HydrophobicContact CZ3-CG 3.95Å; W420-Q424 PolarHBondContact O-N 2.75Å
421M57.8Low43.8Very low53 Ų53115.2 Ų115.226%0.26164%0.638SS.*Hα-helixtrans-63-39.9174.1-74.2-171.4-63.800112.3Y288 L417 V418 M423 Q424 Q425Y288-M421 HydrophobicContact CE2-SD 4.19Å; L417-M421 HydrophobicContact CG-CE 4.21Å; L417-M421 WeakPolarHBondContact O-CG 3.3Å; L417-M421 PolarHBondContact O-N 3.07Å; V418-M421 PolarHBondContact O-N 2.87Å; M421-M423 VanDerWaalsContact C-N 3.3Å; M421-M423 PolarHBondContact O-N 3.41Å; M421-Q424 PolarHBondContact O-N 3.05Å; M421-Q424 VanDerWaalsContact O-N 3.17Å; M421-Q425 WeakPolarHBondContact O-CG 3.36Å; M421-Q425 PolarHBondContact O-N 2.92Å
422A60.5Low43.8Very low68 Ų68113.8 Ų113.856%0.56264%0.636SS**Hα-helixtrans-61.2-38174.400000112.3V418 Q419 W420 Q424 Q425V418-A422 WeakPolarHBondContact O-CB 3.36Å; V418-A422 PolarHBondContact O-N 3.4Å; Q419-A422 PolarHBondContact O-N 2.85Å; W420-A422 PolarHBondContact O-N 3.44Å; A422-Q424 PolarHBondContact O-N 3.39Å; A422-Q425 PolarHBondContact O-N 2.86Å
423M47.8Very low43.8Very low146 Ų146109.8 Ų109.872%0.71964%0.636SS**Hα-helixtrans-70.5-12.5177.2-123.4168.371.500114.4Q419 W420 M421Q419-M423 PolarHBondContact O-N 3.22Å; Q419-M423 VanDerWaalsContact O-N 3.08Å; W420-M423 PolarHBondContact O-N 2.97Å; M421-M423 VanDerWaalsContact C-N 3.3Å; M421-M423 PolarHBondContact O-N 3.41Å
424Q58Low43.6Very low107 Ų107110.1 Ų110.150%0.564%0.641SS.*Hα-helixtrans-101.6-9.4178.9-76.6-90.5-21.900113.6W420 M421 A422W420-Q424 HydrophobicContact CD2-CG 4.36Å; W420-Q424 HydrophobicContact CE3-CG 4.19Å; W420-Q424 HydrophobicContact CH2-CG 3.87Å; W420-Q424 HydrophobicContact CZ2-CG 4.05Å; W420-Q424 HydrophobicContact CZ3-CG 3.95Å; W420-Q424 PolarHBondContact O-N 2.75Å; M421-Q424 PolarHBondContact O-N 3.05Å; M421-Q424 VanDerWaalsContact O-N 3.17Å; A422-Q424 PolarHBondContact O-N 3.39Å
425Q52Low43.7Very low153 Ų153112.5 Ų112.572%0.71564%0.643SS**SBendtrans-95.410.4-168.8-81-172.72.900116.3M421 A422M421-Q425 WeakPolarHBondContact O-CG 3.36Å; M421-Q425 PolarHBondContact O-N 2.92Å; A422-Q425 PolarHBondContact O-N 2.86Å
426N31.6Very low43.2Very low108 Ų108112.5 Ų112.558%0.57866%0.656SS**  trans-145.788.9173.9-16418.3000114.2Q428N426-Q428 PolarHBondContact ND2-O 3.34Å; N426-Q428 PolarHBondContact O-N 3.05Å; N426-Q428 PolarHBondContact OD1-N 3.34Å; N426-Q428 PolarHBondContact OD1-O 3.17Å; N426-Q428 VanDerWaalsContact OD1-O 3.08Å
427P34Very low42.6Very low129 Ų129114.9 Ų114.984%0.83867%0.667SS**SBendtrans-84.423.6173.535.8-35.7000113.5
428Q33Very low41.9Very low156 Ų156119.3 Ų119.373%0.72969%0.686SS**SBendtrans-136.4170.4169.2-65.1-169.8-8.400108.8N426N426-Q428 PolarHBondContact ND2-O 3.34Å; N426-Q428 PolarHBondContact O-N 3.05Å; N426-Q428 PolarHBondContact OD1-N 3.34Å; N426-Q428 PolarHBondContact OD1-O 3.17Å; N426-Q428 VanDerWaalsContact OD1-O 3.08Å
429M31.6Very low40.5Very low150 Ų150118.2 Ų118.274%0.73968%0.683SS**SBendtrans70.748.6-176.7-54.2-68.1-72.200117
430L32.6Very low39.3Very low176 Ų176118.9 Ų118.992%0.92169%0.686SS**  trans-148.554.7150.4-147.784.1000113.3
431A29.6Very low38.5Very low98 Ų98123.5 Ų123.581%0.8171%0.705SS**  trans-141.733.2-178.200000113.5
432T30.6Very low37.4Very low126 Ų126127.7 Ų127.777%0.77373%0.727SS**  trans-147.491.6-174.551.30000112.5
433A34.7Very low36.1Very low97 Ų97130.1 Ų130.180%0.80274%0.736SS**  trans175.972.8153.400000111.4P435A433-P435 WeakPolarHBondContact O-CD 3.48Å
434S32.5Very low35.4Very low121 Ų121128.2 Ų128.285%0.84674%0.737SS**  trans-90.6117.8166.3-54.30000109.5A436S434-A436 PolarHBondContact O-N 2.94Å
435P37.6Very low34.4Very low129 Ų129130.8 Ų130.884%0.83875%0.754SS**  trans-70.3127.5166.5-13.429.7000109.3A433A433-P435 WeakPolarHBondContact O-CD 3.48Å
436A34.5Very low33.8Very low93 Ų93127.4 Ų127.477%0.76975%0.752SS**  trans-80.8174.4166.700000110.5S434S434-A436 PolarHBondContact O-N 2.94Å
437V36.6Very low34Very low117 Ų117130.9 Ų130.971%0.70977%0.769SS**  -176.7110.8128.9142.50000112.1
438Q34.3Very low34Very low170 Ų170128.7 Ų128.779%0.79477%0.771SS**  trans62.5165.9143-54.5178.216.600118.3
439S32.1Very low34.3Very low80 Ų80129.4 Ų129.456%0.55978%0.776SS**  cis-149.8171.89.7-134.30000108.7
440Q32.5Very low34.6Very low128 Ų128129.5 Ų129.560%0.59878%0.775SS**  cis-161.7174.113-148.4154.394.100110.6
441Y34.7Very low34.6Very low189 Ų189128 Ų12874%0.74177%0.767SS**  trans74.3134.9167.2-45.7-46.7000117.5
442L34.9Very low34.9Very low140 Ų140127.1 Ų127.173%0.73377%0.768SS**  cis-157.9141.9-4.4-108.9164.6000109.2
443T32.9Very low35.1Very low120 Ų120129.9 Ų129.974%0.73678%0.776SS**  trans40.3141.7152.354.90000121.8
444S34.1Very low35.2Very low106 Ų106128.6 Ų128.674%0.74177%0.772SS**  cis-170.6171.7-3.1-94.50000110.3
445N36.8Very low35.3Very low161 Ų161128 Ų12886%0.86177%0.768SS**  trans-57168.4177.3-42.6-23.8000113.6
446A38.3Very low35.3Very low82 Ų82128.1 Ų128.168%0.67877%0.766SS**  cis-162164.219.500000114.5
447L35.2Very low35.3Very low180 Ų180128 Ų12894%0.94276%0.759SS**  trans37.3120.8141.5-61.9166.1000120.5
448G35.2Very low35.4Very low84 Ų84130.9 Ų130.987%0.86677%0.765SS**  trans-170.988.5171.400000116.1
449M39.4Very low35.4Very low170 Ų170128.6 Ų128.684%0.83776%0.759SS**  trans-45.1139.2176.8-75.5-87.595.200119
450Q37Very low35.8Very low153 Ų153130.5 Ų130.572%0.71577%0.769SS**  91.7132.7119.7-169170.914.700123.4
451D32.4Very low35.8Very low143 Ų143129.5 Ų129.577%0.76577%0.772SS**  trans43.4132.9155-55.6-22000123.8
452G36.2Very low35.9Very low80 Ų80129.5 Ų129.583%0.82578%0.776SS**  trans-175120.5164.200000112.4
453I36.4Very low36Very low185 Ų185133.7 Ų133.795%0.94978%0.782SS**  trans-106138.7-173.5-66.6173.8000111.9
454G36.2Very low36.1Very low69 Ų69136.5 Ų136.571%0.71179%0.791SS**  trans117165.9168.600000114.1
455S33.8Very low35.8Very low110 Ų110137.1 Ų137.177%0.76979%0.791SS**  cis-167.1144.9-8.4-163.50000110.8
456V39Very low35.8Very low130 Ų130137.1 Ų137.179%0.78879%0.788SS**  trans58.9110148.81700000120.4
457S34.1Very low35.5Very low90 Ų90141.4 Ų141.463%0.62979%0.794SS**  77.4144.7128.2-143.60000125.2
458E37.1Very low35.6Very low178 Ų178137.4 Ų137.483%0.83279%0.786SS**  trans75.7128148.2-84.7151.4129.800124.4
459D35.2Very low35.6Very low122 Ų122142.7 Ų142.765%0.65279%0.789SS**  trans-76.2150.2166170.156.5000111.2T461D459-T461 PolarHBondContact OD1-N 3.03Å; D459-T461 VanDerWaalsContact OD1-N 3.13Å; D459-T461 PolarHBondContact OD2-N 3.11Å; D459-T461 PolarHBondContact OD2-OG1 3.23Å
460P39.8Very low35.3Very low120 Ų120141.5 Ų141.578%0.77979%0.786SS**  trans-141.9112.7130.734.3-19.3000115K462P460-K462 PolarHBondContact O-N 3.34Å
461T32.8Very low35.3Very low107 Ų107141.9 Ų141.966%0.65679%0.791SS**  trans-68.3119.1160.836.90000113.1D459D459-T461 PolarHBondContact OD1-N 3.03Å; D459-T461 VanDerWaalsContact OD1-N 3.13Å; D459-T461 PolarHBondContact OD2-N 3.11Å; D459-T461 PolarHBondContact OD2-OG1 3.23Å
462K37.7Very low35.5Very low189 Ų189138.3 Ų138.382%0.82279%0.788SS**  trans-176.1144.7145.3-104.6142.8-161.9151.60117.2P460P460-K462 PolarHBondContact O-N 3.34Å
463R36.8Very low35.6Very low228 Ų228142 Ų14286%0.8679%0.788SS**  trans66.8120.3150.8-67.7173.3176.3-176.1-1.3120.1
464L34.6Very low35.8Very low179 Ų179138.8 Ų138.894%0.93778%0.779SS**  -140.2151.3125.6-100.3170.2000108.8
465T27Very low35.6Very low120 Ų120140.3 Ų140.374%0.73677%0.771SS**  trans-160.3125.3-175.6-52.90000112
466M38.7Very low35.8Very low161 Ų161142.9 Ų142.979%0.79378%0.775SS**  trans-149.5113.8166.4-73.8-62.6-68.600106.5
467Q30.9Very low35.7Very low171 Ų171143.9 Ų143.980%0.79977%0.771SS**  69100.871.2-75.8-159.4-8.700116.2
468A37Very low35.8Very low96 Ų96144.8 Ų144.879%0.79378%0.784SS**  trans-163.6120.7138.500000112.5
469Q35.9Very low35.6Very low196 Ų196139.4 Ų139.492%0.91678%0.776SS**  trans11.9159.3141.2-59.5169.8500122
470N32.6Very low35.5Very low144 Ų144139 Ų13977%0.7778%0.783SS**  cis-177.7177.8-24.1-170.717.8000108.3
471I37.6Very low35.1Very low162 Ų162142.6 Ų142.683%0.83179%0.786SS**  trans78132.9172.2-47163.8000113.8
472G37.1Very low35.3Very low67 Ų67143.1 Ų143.169%0.69179%0.789SS**  cis-169.6155.2-4.600000113.2
473L37.5Very low35.1Very low159 Ų159140.4 Ų140.483%0.83278%0.784SS**  trans-93.7-173.2-179.4-82.392.8000111.7
474P40.3Very low35.2Very low116 Ų116138 Ų13875%0.75378%0.782SS**  cis-126.5176-0.125.9-0.7000113.9
475N33Very low35.4Very low102 Ų102134.7 Ų134.755%0.54577%0.771SS.*  cis85.8116.924.4-174.451.6000117.7Q477N475-Q477 PolarHBondContact ND2-NE2 3.34Å
476L38Very low35.7Very low164 Ų164133.5 Ų133.586%0.85977%0.774SS**  trans-178119.5162.2-100155.4000106.2
477Q35.4Very low35.6Very low150 Ų150133.8 Ų133.870%0.70178%0.776SS**  cis98.8133.124.3-67.1-165-1100116.5N475N475-Q477 PolarHBondContact ND2-NE2 3.34Å
478A36.6Very low35.8Very low110 Ų110131.3 Ų131.391%0.90977%0.773SS**  trans66.6144.6172.600000118.5
479G32.2Very low35.8Very low64 Ų64132.9 Ų132.966%0.6678%0.776SS**  cis169.2138.2-13.400000116.9
480S34.3Very low35.6Very low115 Ų115131.3 Ų131.380%0.80477%0.773SS**  trans71.5134.915174.20000123.1
481K32Very low35.7Very low194 Ų194127.9 Ų127.984%0.84376%0.764SS**  trans91127.3140.8-83179.5178.1-176.40123.3
482V36.9Very low35.5Very low118 Ų118128.2 Ų128.272%0.71576%0.762SS**  trans89.1117.8138.9172.10000120.4
483D33.6Very low35.6Very low133 Ų133131.4 Ų131.471%0.71176%0.759SS**  trans44.5120.2144.7-53-5.7000124.7
484H37.7Very low35.4Very low176 Ų176130.7 Ų130.782%0.81575%0.751SS**  trans60.5-179.4143.3-67.6-62.8000117.2
485P38.6Very low35.2Very low111 Ų111133.3 Ų133.372%0.72175%0.753SS**  -132.7149.4-87.738.1-19.9000117.2
486A34.5Very low35.1Very low95 Ų95135.2 Ų135.279%0.78576%0.759SS**  trans69.5164.2152.800000120.5
487I34.9Very low35.2Very low166 Ų166132.6 Ų132.685%0.85175%0.752SS**  trans82.2134.1169.7-51.8-178.9000117.1
488T35.4Very low35.3Very low120 Ų120132.3 Ų132.374%0.73675%0.75SS**  trans-71.9162.9179.8-18.20000113.3
489P38.1Very low35.3Very low129 Ų129134.7 Ų134.784%0.83874%0.742SS**  -141.1-174.7118.139.5-27.3000115.5
490L31.3Very low35.3Very low163 Ų163136.8 Ų136.885%0.85374%0.742SS**  trans-108.4157.3-154.9-137.776000114.3
491A35.1Very low35.3Very low72 Ų72137.6 Ų137.660%0.59574%0.736SS**  90.8139.9128.700000124.3
492Q32.3Very low35.4Very low168 Ų168136.7 Ų136.779%0.78574%0.735SS**  trans75.5154.7145.1-76.5171.836.500118.7
493H38.9Very low35Very low134 Ų134139.1 Ų139.162%0.6274%0.739SS**  cis-155.5167.310.3-142.9112.9000113
494Q34.2Very low35.1Very low144 Ų144140.7 Ų140.767%0.67374%0.742SS**  trans74.6147.1150.8-106.2146.772.600118.5
495Q36.8Very low34.9Very low171 Ų171140 Ų14080%0.79974%0.739SS**  cis-146.9168.8-5.7-151.4160.840.500112.5
496Q31.1Very low34.7Very low142 Ų142140.4 Ų140.466%0.66474%0.739SS**  trans-117.4168.1-177.5-149.8-163.46700110.5
497P39.8Very low34.5Very low109 Ų109144.3 Ų144.371%0.70874%0.741SS**  -139.2169.793.225.4-5.6000112.4
498H37.1Very low34.3Very low145 Ų145141.9 Ų141.967%0.67174%0.736SS**  cis-162.3-178.4-12.6-99.1-5.2000105.9
499H36.3Very low34.1Very low159 Ų159142.4 Ų142.474%0.73673%0.734SS**  cis-158.2-169.111.6-139.811.5000108.1
500V33.1Very low33.9Very low108 Ų108145.2 Ų145.266%0.65574%0.736SS**  cis-143.7-84.20.753.70000112.3
501L34Very low34.4Very low132 Ų132144.5 Ų144.569%0.69173%0.728SS**  trans-143.6157.7-173.1-113.266.8000108.9
502Q32.9Very low34.5Very low175 Ų175144.4 Ų144.482%0.81872%0.723SS**  cis-148.8173.55.6-158.2151.91600112
503Q29.9Very low34.7Very low169 Ų169141 Ų14179%0.7972%0.717SS**  trans-107.8-178.5-178.6-63.8-178.2-0.800113.7
504Q34.1Very low34.9Very low166 Ų166137.7 Ų137.778%0.77671%0.714SS**  trans84.8146165.3-56.8176.312.800115.3
505Q34.5Very low35.4Very low163 Ų163136.1 Ų136.176%0.76271%0.709SS**  cis-149.8148.72.4-145.8167.9-20.400113.9
506V34.5Very low35.8Very low118 Ų118133.9 Ų133.972%0.71570%0.702SS**  trans8133.8153.7-175.70000121.3
507Q29.7Very low36.5Very low177 Ų177134.3 Ų134.383%0.82770%0.703SS**  trans-0.2155.5143.1-58.8166.9-3.400119.8
508P30.8Very low37.1Very low115 Ų115135.5 Ų135.575%0.74770%0.7SS**  cis-135.8167.321.141.7-25.7000116.5
509L31.4Very low37.7Very low131 Ų131134.3 Ų134.369%0.68670%0.695SS**  trans-145.760.3162.9-155.873.5000114Q511 S512L509-Q511 PolarHBondContact O-N 3.16Å; L509-S512 PolarHBondContact O-OG 3.19Å
510Q35.1Very low38.3Very low188 Ų188133.1 Ų133.188%0.87969%0.689SS**THydrogen-bonded Turntrans-80.637172.5-156.7175.227.800112.6
511Q41.2Very low39.2Very low148 Ų148130.7 Ų130.769%0.69268%0.68SS**THydrogen-bonded Turntrans-133.4-13.5-175.8-75.2-173.8-15.500114.5L509 S513 A514L509-Q511 PolarHBondContact O-N 3.16Å; Q511-S513 VanDerWaalsContact C-N 3.29Å; Q511-S513 PolarHBondContact O-N 3.47Å; Q511-A514 PolarHBondContact O-N 3.21Å
512S36Very low40.1Very low70 Ų70130.2 Ų130.249%0.4968%0.675SS.*Hα-helixtrans-66.2-25.5-176.642.70000114.2L509 A514L509-S512 PolarHBondContact O-OG 3.19Å; S512-A514 PolarHBondContact O-N 2.88Å
513S36.6Very low40.9Very low96 Ų96126.6 Ų126.667%0.67166%0.66SS**Hα-helixtrans-69.5-27.317748.80000114.2Q511Q511-S513 VanDerWaalsContact C-N 3.29Å; Q511-S513 PolarHBondContact O-N 3.47Å
514A43.5Very low42Very low65 Ų65124.5 Ų124.554%0.53765%0.654SS.*Hα-helixtrans-73.3-36.3178.700000112.4Q511 S512 Q518Q511-A514 PolarHBondContact O-N 3.21Å; S512-A514 PolarHBondContact O-N 2.88Å; A514-Q518 PolarHBondContact O-N 2.78Å; A514-Q518 VanDerWaalsContact O-N 3.11Å
515I45.7Very low43Very low111 Ų111122.9 Ų122.957%0.56965%0.646SS**Hα-helixtrans-70.5-40.1-176.2-60.2176.5000110.8Q517 Q518 Q519I515-Q517 VanDerWaalsContact C-N 3.34Å; I515-Q517 PolarHBondContact O-N 3.05Å; I515-Q518 PolarHBondContact O-N 3.03Å; I515-Q519 WeakPolarHBondContact O-CB 3.37Å; I515-Q519 PolarHBondContact O-N 2.82Å
516L44.4Very low43.9Very low125 Ų125121.7 Ų121.765%0.65464%0.641SS**Hα-helixtrans-62.7-41.1178.4-159.774000111.8Q519 Q520L516-Q519 PolarHBondContact O-N 2.91Å; L516-Q520 PolarHBondContact O-N 2.84Å; L516-Q520 VanDerWaalsContact O-N 3.08Å
517Q46.6Very low44.6Very low150 Ų150121.2 Ų121.270%0.70163%0.634SS**Hα-helixtrans-69.6-35.8177.7-169166.782.700112.4I515 A521I515-Q517 VanDerWaalsContact C-N 3.34Å; I515-Q517 PolarHBondContact O-N 3.05Å; Q517-A521 PolarHBondContact O-N 3.35Å
518Q51.7Low45.7Very low134 Ų134115.6 Ų115.663%0.62662%0.618SS**Hα-helixtrans-68.8-37.5174.1-173.2170.688.500112.5A514 I515 A521 Q522A514-Q518 PolarHBondContact O-N 2.78Å; A514-Q518 VanDerWaalsContact O-N 3.11Å; I515-Q518 PolarHBondContact O-N 3.03Å; Q518-A521 PolarHBondContact O-N 3.09Å; Q518-Q522 PolarHBondContact O-N 3.35Å; Q518-Q522 VanDerWaalsContact O-N 3.16Å
519Q50.6Low47Very low121 Ų121114.5 Ų114.557%0.56561%0.605SS**Hα-helixtrans-69.4-36.1177.6-167.816591.900112.1I515 L516 A521 Q522 L523I515-Q519 WeakPolarHBondContact O-CB 3.37Å; I515-Q519 PolarHBondContact O-N 2.82Å; L516-Q519 PolarHBondContact O-N 2.91Å; Q519-A521 VanDerWaalsContact C-N 3.34Å; Q519-Q522 PolarHBondContact O-N 2.98Å; Q519-L523 PolarHBondContact O-N 3.03Å
520Q48.7Very low48.1Very low133 Ų133114.3 Ų114.362%0.62160%0.6SS**Hα-helixtrans-66.1-35.4173.4-159.8170.748.600112.2L516 L523 L524L516-Q520 PolarHBondContact O-N 2.84Å; L516-Q520 VanDerWaalsContact O-N 3.08Å; Q520-L523 PolarHBondContact O-N 3.31Å; Q520-L524 PolarHBondContact O-N 3.18Å
521A50.9Low49Very low57 Ų57110.8 Ų110.847%0.47159%0.587SS.*Hα-helixtrans-66.6-37.1173.900000113.1Q517 Q518 Q519 L524 Q525Q517-A521 PolarHBondContact O-N 3.35Å; Q518-A521 PolarHBondContact O-N 3.09Å; Q519-A521 VanDerWaalsContact C-N 3.34Å; A521-L524 PolarHBondContact O-N 3.39Å; A521-Q525 PolarHBondContact O-N 2.91Å
522Q52.8Low49.6Very low123 Ų123109.6 Ų109.658%0.57558%0.582SS**Hα-helixtrans-67.8-36.7176-75.2-175.8-16.400112.8Q518 Q519 Q525 Q526Q518-Q522 PolarHBondContact O-N 3.35Å; Q518-Q522 VanDerWaalsContact O-N 3.16Å; Q519-Q522 PolarHBondContact O-N 2.98Å; Q522-Q525 PolarHBondContact O-N 3.01Å; Q522-Q526 WeakPolarHBondContact O-CB 3.43Å; Q522-Q526 PolarHBondContact O-N 2.99Å
523L50.2Low50.7Low98 Ų98112 Ų11251%0.51359%0.585SS.*Hα-helixtrans-64-42.8173.6-91.9161.2000112.4Q519 Q520 Q525 Q526 N527Q519-L523 PolarHBondContact O-N 3.03Å; Q520-L523 PolarHBondContact O-N 3.31Å; L523-Q525 VanDerWaalsContact C-N 3.35Å; L523-Q525 PolarHBondContact O-N 2.92Å; L523-Q526 PolarHBondContact O-N 3.02Å; L523-N527 PolarHBondContact O-N 2.9Å
524L52.5Low51.5Low126 Ų126112.8 Ų112.866%0.6658%0.578SS**Hα-helixtrans-61-41.7173.3-88.7161.3000112.3Q520 A521 A528Q520-L524 PolarHBondContact O-N 3.18Å; A521-L524 PolarHBondContact O-N 3.39Å; L524-A528 WeakPolarHBondContact O-CB 3.3Å; L524-A528 PolarHBondContact O-N 2.82Å
525Q54.8Low52Low131 Ų131116 Ų11661%0.61258%0.582SS**Hα-helixtrans-66.8-37.3176.6-173.8167.286.200112.5A521 Q522 L523 A528 I529A521-Q525 PolarHBondContact O-N 2.91Å; Q522-Q525 PolarHBondContact O-N 3.01Å; L523-Q525 VanDerWaalsContact C-N 3.35Å; L523-Q525 PolarHBondContact O-N 2.92Å; Q525-A528 PolarHBondContact O-N 3Å; Q525-I529 HydrophobicContact CG-CD1 4.12Å; Q525-I529 WeakPolarHBondContact O-CG1 3.44Å; Q525-I529 PolarHBondContact O-N 2.95Å
526Q54.1Low52.3Low138 Ų138116.4 Ų116.465%0.64558%0.581SS**Hα-helixtrans-68.4-40.3178.4-163.8168.4109.100112.2Q522 L523 I529 H530Q522-Q526 WeakPolarHBondContact O-CB 3.43Å; Q522-Q526 PolarHBondContact O-N 2.99Å; L523-Q526 PolarHBondContact O-N 3.02Å; Q526-I529 PolarHBondContact O-N 2.89Å; Q526-H530 PolarHBondContact O-N 2.89Å
527N49.7Very low52.7Low108 Ų108116.7 Ų116.758%0.57858%0.579SS**Hα-helixtrans-65.5-38172.9-79.2-3.8000112.3L523 H530 L531L523-N527 PolarHBondContact O-N 2.9Å; N527-H530 PolarHBondContact O-N 3.03Å; N527-L531 PolarHBondContact O-N 3.31Å
528A53Low52.9Low60 Ų60115.4 Ų115.450%0.49658%0.577SS.*Hα-helixtrans-62.4-43.7175.200000112.4L524 Q525 L531 Q532L524-A528 WeakPolarHBondContact O-CB 3.3Å; L524-A528 PolarHBondContact O-N 2.82Å; Q525-A528 PolarHBondContact O-N 3Å; A528-L531 PolarHBondContact O-N 2.95Å; A528-Q532 WeakPolarHBondContact O-CB 3.31Å; A528-Q532 PolarHBondContact O-N 3.4Å
529I57.7Low52.7Low92 Ų92115.9 Ų115.947%0.47258%0.579SS.*Hα-helixtrans-63.5-42176.4-68.3164.5000111Q525 Q526 Q532 Q533Q525-I529 HydrophobicContact CG-CD1 4.12Å; Q525-I529 WeakPolarHBondContact O-CG1 3.44Å; Q525-I529 PolarHBondContact O-N 2.95Å; Q526-I529 PolarHBondContact O-N 2.89Å; I529-Q532 PolarHBondContact O-N 3.22Å; I529-Q533 WeakPolarHBondContact O-CB 3.4Å; I529-Q533 PolarHBondContact O-N 3.45Å
530H54.8Low52.7Low126 Ų126117 Ų11758%0.58358%0.578SS**Hα-helixtrans-64.7-42179.6-165.8-170.1000111.9Q526 N527 Q533 Q534Q526-H530 PolarHBondContact O-N 2.89Å; N527-H530 PolarHBondContact O-N 3.03Å; H530-Q533 PolarHBondContact O-N 2.84Å; H530-Q534 PolarHBondContact O-N 2.89Å
531L53.3Low52.6Low115 Ų115119 Ų11960%0.60259%0.588SS**Hα-helixtrans-67-37.9177.1-166.867.6000112.3N527 A528 Q534 Q535N527-L531 PolarHBondContact O-N 3.31Å; A528-L531 PolarHBondContact O-N 2.95Å; L531-Q534 PolarHBondContact O-N 3.02Å; L531-Q535 PolarHBondContact O-N 3.2Å
532Q54.2Low52.4Low123 Ų123125 Ų12558%0.57561%0.606SS**Hα-helixtrans-65.4-43.8174.7-173.5166.225.600111.9A528 I529 Q534 Q535 E536A528-Q532 WeakPolarHBondContact O-CB 3.31Å; A528-Q532 PolarHBondContact O-N 3.4Å; I529-Q532 PolarHBondContact O-N 3.22Å; Q532-Q534 VanDerWaalsContact C-N 3.3Å; Q532-Q534 PolarHBondContact O-N 2.8Å; Q532-Q535 WeakPolarHBondContact O-CB 3.28Å; Q532-Q535 PolarHBondContact O-N 3.04Å; Q532-Q535 VanDerWaalsContact O-N 3.12Å; Q532-E536 PolarHBondContact O-N 3.3Å
533Q59.1Low51.6Low119 Ų119122 Ų12256%0.55660%0.598SS**Hα-helixtrans-66.7-31.7179.6-162.1166.7108.900112.4I529 H530 E536 Q537I529-Q533 WeakPolarHBondContact O-CB 3.4Å; I529-Q533 PolarHBondContact O-N 3.45Å; H530-Q533 PolarHBondContact O-N 2.84Å; Q533-E536 PolarHBondContact O-N 2.94Å; Q533-Q537 PolarHBondContact O-N 3.15Å; Q533-Q537 VanDerWaalsContact O-N 3.14Å
534Q53.4Low50.8Low114 Ų114125 Ų12553%0.53361%0.61SS.*Hα-helixtrans-69.2-35.4171.7-168.1171.885.700112.4H530 L531 Q532 L538H530-Q534 PolarHBondContact O-N 2.89Å; L531-Q534 PolarHBondContact O-N 3.02Å; Q532-Q534 VanDerWaalsContact C-N 3.3Å; Q532-Q534 PolarHBondContact O-N 2.8Å; Q534-L538 PolarHBondContact O-N 3.06Å
535Q53.2Low50.1Low131 Ų131124.3 Ų124.361%0.61261%0.613SS**Hα-helixtrans-66.8-40.2171-91.2-170.63.100112.9L531 Q532 Q537 L538 Q539L531-Q535 PolarHBondContact O-N 3.2Å; Q532-Q535 WeakPolarHBondContact O-CB 3.28Å; Q532-Q535 PolarHBondContact O-N 3.04Å; Q532-Q535 VanDerWaalsContact O-N 3.12Å; Q535-Q537 PolarHBondContact O-N 3.06Å; Q535-L538 PolarHBondContact O-N 3.37Å; Q535-Q539 PolarHBondContact O-N 3.45Å
536E53.6Low48.9Very low120 Ų120126.9 Ų126.956%0.56163%0.625SS**Hα-helixtrans-64.9-37.7177.2-77.7-172.676.600112.7Q532 Q533 L538 Q539 R540Q532-E536 PolarHBondContact O-N 3.3Å; Q533-E536 PolarHBondContact O-N 2.94Å; E536-L538 PolarHBondContact O-N 3.04Å; E536-Q539 PolarHBondContact O-N 3.06Å; E536-R540 WeakPolarHBondContact O-CB 3.46Å; E536-R540 WeakPolarHBondContact O-CG 3.44Å; E536-R540 PolarHBondContact O-N 3.15Å
537Q51.6Low47.8Very low131 Ų131128.8 Ų128.861%0.61263%0.633SS**Hα-helixtrans-63.5-39.5173-76.1-166.6-10.700112.5Q533 Q535 R540 Q541Q533-Q537 PolarHBondContact O-N 3.15Å; Q533-Q537 VanDerWaalsContact O-N 3.14Å; Q535-Q537 PolarHBondContact O-N 3.06Å; Q537-R540 PolarHBondContact O-N 3.48Å; Q537-Q541 PolarHBondContact O-N 3.34Å
538L50.1Low47Very low124 Ų124131.9 Ų131.965%0.64964%0.644SS**Hα-helixtrans-67.6-35.4176.7-91156.8000113Q534 Q535 E536Q534-L538 PolarHBondContact O-N 3.06Å; Q535-L538 PolarHBondContact O-N 3.37Å; E536-L538 PolarHBondContact O-N 3.04Å
539Q48.1Very low46.2Very low143 Ų143139.4 Ų139.467%0.66867%0.666SS**Hα-helixtrans-76.4-32.6174.2-70.1-168600113.4Q535 E536 Q541 Q542 S543Q535-Q539 PolarHBondContact O-N 3.45Å; E536-Q539 PolarHBondContact O-N 3.06Å; Q539-Q541 VanDerWaalsContact C-N 3.3Å; Q539-Q541 PolarHBondContact O-N 2.86Å; Q539-Q542 PolarHBondContact O-N 3.42Å; Q539-S543 PolarHBondContact O-OG 3.4Å
540R50.7Low45Very low146 Ų146144.8 Ų144.855%0.55169%0.686SS**Hα-helixtrans-65.8-28.1177.6-85.3-94.361.8-163.20.8113.7E536 Q537 S543E536-R540 WeakPolarHBondContact O-CB 3.46Å; E536-R540 WeakPolarHBondContact O-CG 3.44Å; E536-R540 PolarHBondContact O-N 3.15Å; Q537-R540 PolarHBondContact O-N 3.48Å; R540-S543 PolarHBondContact NH2-O 3.22Å
541Q46.4Very low43.9Very low175 Ų175143.5 Ų143.582%0.81870%0.698SS**THydrogen-bonded Turntrans-77.9-13.2176.8-68.9-167.831.100114.8Q537 Q539Q537-Q541 PolarHBondContact O-N 3.34Å; Q539-Q541 VanDerWaalsContact C-N 3.3Å; Q539-Q541 PolarHBondContact O-N 2.86Å
542Q47.7Very low43.2Very low183 Ų183145 Ų14586%0.85571%0.712SS**THydrogen-bonded Turntrans-100.29.2177.4-67.7-165.9-4.100114.2Q539Q539-Q542 PolarHBondContact O-N 3.42Å
543S35.9Very low42.3Very low59 Ų59143.4 Ų143.441%0.41372%0.719SS.*  trans-144.663.8-165.356.40000116.2Q539 R540Q539-S543 PolarHBondContact O-OG 3.4Å; R540-S543 PolarHBondContact NH2-O 3.22Å
544Q33.7Very low41Very low161 Ų161143.5 Ų143.575%0.75273%0.732SS**  trans165.6151.3145.8-94.8157.3-2.800112.5
545P38Very low40.1Very low111 Ų111145.1 Ų145.172%0.72174%0.743SS**  -135.6179.9-56.735-15.8000112.6Q547P545-Q547 PolarHBondContact O-N 2.79Å
546Q29.3Very low39.3Very low186 Ų186147.4 Ų147.487%0.86975%0.754SS**  trans-66.9117.6165.9-65.8171.8-52.500111.4
547Q31.4Very low38.5Very low177 Ų177146.3 Ų146.383%0.82776%0.76SS**  trans-166.8163.6151.2-113.9156.378.800112P545P545-Q547 PolarHBondContact O-N 2.79Å
548Q32Very low37.7Very low173 Ų173145.5 Ų145.581%0.80877%0.769SS**  trans53.791.8175.3-62.1-179.1-78.400117.5
549F36.5Very low37.1Very low218 Ų218145.8 Ų145.896%0.95677%0.771SS**  -145.2104.8122.9-101.8-70.2000109.5
550K31.4Very low36.6Very low205 Ų205146.6 Ų146.689%0.89178%0.775SS**  trans-150.2137.1176.5-134.5-179.4-174.5-178.20107.6
551A33.3Very low36.1Very low99 Ų99147.7 Ų147.782%0.81879%0.786SS**  trans6488.9178.300000117.3
552T37.1Very low35.5Very low148 Ų148147.9 Ų147.991%0.90878%0.784SS**  trans-120.1143.2130.3-35.70000106.4
553A36.2Very low34.9Very low88 Ų88145.8 Ų145.873%0.72778%0.778SS**  trans-132.3165.6-165.500000112.9
554C31.4Very low34.6Very low122 Ų122151 Ų15182%0.82479%0.793SS**  trans68.9132.1174.7-102.60000113.9
555L34.2Very low34.6Very low147 Ų147149 Ų14977%0.7778%0.783SS**  cis-152.717127.7-92.3156.8000111.8
556Q37.6Very low34.4Very low179 Ų179151 Ų15184%0.83678%0.783SS**  trans67.7146.1165.8-65.8165.610.600118.2
557S35.1Very low34.7Very low98 Ų98150.8 Ų150.869%0.68578%0.782SS**  cis-173.5127.4-47.140.10000110.4
558S36.3Very low35.1Very low114 Ų114147.7 Ų147.780%0.79778%0.778SS**  trans65.8155.3166.4-58.50000116.8
559D37.1Very low35.2Very low129 Ų129145.5 Ų145.569%0.6978%0.781SS**  cis-151.4166.96.5-137.6-39.8000113.8
560Q37.7Very low35.1Very low160 Ų160139 Ų13975%0.74878%0.776SS**  trans62.6115.2163.6-67.1-178.664.100119.1
561H39.9Very low35.3Very low170 Ų170132.7 Ų132.779%0.78777%0.769SS**  73.6135.977-83.9-115.3000114.2
562K34.7Very low35.4Very low178 Ų178137.5 Ų137.577%0.77478%0.775SS**  cis-160.3157.97.3175177.6174-171.80112.5
563L33.8Very low35.2Very low139 Ų139135.2 Ų135.273%0.72877%0.771SS**  trans-17.9137.7167.9-83.772.4000119.5
564K30.9Very low35Very low168 Ų168135.3 Ų135.373%0.7377%0.772SS**  80.9144.281.7-137.7-169.4173-144.20111.4
565E33.4Very low34.9Very low119 Ų119135.3 Ų135.356%0.55677%0.773SS**  cis-171.2169.332.2-159.9173122.100112.7
566Q33.9Very low34.8Very low154 Ų154137.3 Ų137.372%0.7278%0.779SS**  trans65153.5164.1-75.5157.25000119.2
567Q34.8Very low34.4Very low181 Ų181134.6 Ų134.685%0.84677%0.774SS**  cis-157.3171.7-27.9-113.8-1636.400110.1
568P39.1Very low34.1Very low113 Ų113138 Ų13873%0.73478%0.779SS**  trans-121.9174.2-15544.7-38000118
569S35.7Very low33.9Very low126 Ų126140.6 Ų140.688%0.88178%0.783SS**  trans-171.8138.9144.149.80000114.2
570G34.3Very low33.6Very low81 Ų81141 Ų14184%0.83578%0.784SS**  trans127.998158.400000119
571G34.7Very low33Very low74 Ų74140.6 Ų140.676%0.76379%0.787SS**  trans72.5111.9165.200000116.4
572Q35.3Very low32.4Very low199 Ų199140.8 Ų140.893%0.9379%0.788SS**  61128.954-58.4-1697.800114.5
573A33.5Very low32.4Very low101 Ų101139.4 Ų139.484%0.83579%0.788SS**  cis-158.1173.5-10.900000110.6
574A30.9Very low32.4Very low89 Ų89140.6 Ų140.674%0.73679%0.794SS**  trans-130.6171.9179.600000112.2
575S30.2Very low32.4Very low123 Ų123141.2 Ų141.286%0.8680%0.8SS**  trans82.5158.7-165.9-42.80000112.5
576Q31.4Very low32.6Very low188 Ų188141 Ų14188%0.87981%0.809SS**  cis-147.3165.419.6-161.9173.129.200112.7
577V30.9Very low32.6Very low122 Ų122139.3 Ų139.374%0.73981%0.813SS**  trans-104.2145.2176.6171.70000110.5
578H28.8Very low32.4Very low171 Ų171135.9 Ų135.979%0.79281%0.81SS**  trans68.199.9167-96.284.3000119.7
579L31.9Very low32.2Very low167 Ų167135.6 Ų135.687%0.87481%0.81SS**  trans-161.4116.5136.4-143.965.7000107
580L30Very low32.2Very low138 Ų138137.4 Ų137.472%0.72381%0.805SS**  84.775.351.1-152.4167.1000114.1
581N25.6Very low32.2Very low151 Ų151140 Ų14081%0.80780%0.799SS**  trans63152.5135.4-145.95000122.6
582Q27.6Very low32Very low175 Ų175143.5 Ų143.582%0.81880%0.795SS**  trans87.2163.4162.5-131.3-171.5110.200119.8
583I33.2Very low31.9Very low149 Ų149140.9 Ų140.976%0.76478%0.783SS**  trans75.7119.9-169.9-50.6172.5000111.4
584L33.4Very low31.7Very low163 Ų163143.9 Ų143.985%0.85378%0.784SS**  cis-117.2157.817.4-69.284.1000115.7
585Q31.1Very low31.7Very low182 Ų182142.9 Ų142.985%0.8578%0.782SS**  trans-145.8-176.6158.2-96-162.927.700106.2
586P38.9Very low31.6Very low115 Ų115145.3 Ų145.375%0.74779%0.785SS**  cis-117.5-161.6-5.833.2-10.4000110.6
587S34Very low31.8Very low117 Ų117140.9 Ų140.982%0.81877%0.773SS**  cis-165.7-171.74659.20000113.5
588S29.7Very low32Very low109 Ų109143.8 Ų143.876%0.76278%0.775SS**  trans-147.8176.2-148.658.30000117.4
589S34.8Very low32Very low107 Ų107140.5 Ų140.575%0.74877%0.772SS**  trans78.5142.5179.782.50000113.5
590Q35Very low32.3Very low165 Ų165137.7 Ų137.777%0.77176%0.763SS**  cis-149.5172.224.2-73.7-171.220.900110.1
591L34.3Very low32.4Very low135 Ų135136.9 Ų136.971%0.70776%0.764SS**  cis-155.1-139.8-1.3-125.9-179.8000113.8
592Q30.5Very low32.8Very low147 Ų147136.5 Ų136.569%0.68776%0.758SS**  trans-99178.7-171-82.2168.322.400114.7
593Q33.4Very low33Very low145 Ų145137.9 Ų137.968%0.67876%0.755SS**  cis-164.31579.2-128.1-178.771.500112.2
594L30.6Very low33.2Very low163 Ų163136.5 Ų136.585%0.85376%0.756SS**  trans42.2150.2155.4-89.173.2000122.7
595G31Very low33.2Very low68 Ų68132.1 Ų132.170%0.70175%0.75SS**  cis-179.3173.80.600000115.1
596L28.4Very low33.4Very low174 Ų174131.2 Ų131.291%0.91175%0.75SS**  trans-109-166.2179.5-103.789.6000110.9
597P35.7Very low33.5Very low96 Ų96131.4 Ų131.462%0.62375%0.751SS**  cis-140.1-163-4.423.15.3000115.7
598K33.5Very low33.4Very low183 Ų183130.5 Ų130.580%0.79675%0.745SS**  trans91.8133.3154.5-53.5172.8-171.6176.50117.7
599S30.1Very low33.4Very low102 Ų102132.4 Ų132.471%0.71375%0.746SS**  cis104.515210.577.40000116.3
600P38.2Very low33.3Very low107 Ų107133.4 Ų133.470%0.69575%0.748SS**  -143-165.2-52.842.1-23.8000114.7
601T31.3Very low33.1Very low122 Ų122130.9 Ų130.975%0.74874%0.744SS**  trans71161.1166.723.20000118.1
602Q33.8Very low33Very low143 Ų143133.2 Ų133.267%0.66875%0.754SS**  cis-124.3173.56.2-88.7-137.2108.600111.6
603R33Very low33Very low204 Ų204129 Ų12977%0.7775%0.75SS**  cis91.1149.734.8-97.1-143.7-60-1431.4115.8
604P36.7Very low33.1Very low119 Ų119127.9 Ų127.977%0.77376%0.758SS**  -140.9-171.7-116.544.6-26.3000118.1
605G33.2Very low33.1Very low71 Ų71127.7 Ų127.773%0.73276%0.757SS**  trans-162153167.600000114.7
606L36.5Very low33.1Very low163 Ų163132.6 Ų132.685%0.85376%0.761SS**  trans-125.7-166.9178.5-70.190.7000110
607P39.6Very low33.3Very low119 Ų119132 Ų13277%0.77375%0.754SS**  -124.8-162.8-75.540.3-24.4000111.6
608S32.7Very low33Very low98 Ų98131.9 Ų131.969%0.68576%0.755SS**  153.1114.7127.2-169.50000116.8
609L29Very low33Very low150 Ų150132.5 Ų132.579%0.78576%0.761SS**  trans49.4151.7136.4-69162.9000125.8
610T32.3Very low33Very low128 Ų128135.3 Ų135.379%0.78577%0.767SS**  trans87.8157.4155.372.30000121.1
611T31Very low32.9Very low112 Ų112135.3 Ų135.369%0.68777%0.767SS**  cis-169.8162.8-42.4-67.20000106.7
612M32.5Very low33Very low184 Ų184138.7 Ų138.791%0.90678%0.775SS**  trans76.2150.1174-45.1-66.9-93.300114.9
613G30.7Very low32.9Very low59 Ų59138.2 Ų138.261%0.60878%0.781SS**  cis157.1160.8-7.800000112.4
614S34.9Very low33Very low121 Ų121133.5 Ų133.585%0.84678%0.777SS**  trans69.1160.8176.184.30000116.7
615L30.5Very low32.8Very low159 Ų159136.5 Ų136.583%0.83278%0.781SS**  cis-167.5174.9-50-115.5165.8000109.1
616Q32.5Very low32.8Very low171 Ų171138 Ų13880%0.79978%0.778SS**  trans66.6162.6169.1-67.1177.6-7.200118.6
617Q32.2Very low32.5Very low161 Ų161138.9 Ų138.975%0.75278%0.778SS**  cis-172.1118.7-42.2-178.6160.453.400108.4
618S29.5Very low32.1Very low93 Ų93141.5 Ų141.565%0.6578%0.78SS**  trans28.5133.2148.5-46.70000122.2
619Q33.4Very low31.9Very low196 Ų196144.5 Ų144.592%0.91679%0.794SS**  -162.1175.5104.7-105168.368.800113.1
620L30.5Very low32.1Very low162 Ų162140.7 Ų140.785%0.84878%0.784SS**  trans-103.6169.4-154.9-103.777000115.4
621P35.6Very low32Very low107 Ų107143.1 Ų143.170%0.69579%0.787SS**  trans-103.7178.8-159.841.5-39.3000115.5
622Q33.4Very low32Very low193 Ų193147.7 Ų147.790%0.90279%0.793SS**  trans-134.4139.6157-63.1-172.71500111.4
623T30.9Very low32.1Very low132 Ų132147.9 Ų147.981%0.8179%0.791SS**  trans-103.4179.4172.141.40000109.7
624P35.9Very low32.3Very low105 Ų105153.9 Ų153.968%0.68280%0.803SS**  cis-143.3168.312.443.5-25000118.9
625Q32.5Very low32.1Very low183 Ų183151.3 Ų151.386%0.85579%0.789SS**  trans63.4163.2143.3-82.9-161.6-0.700121
626P33Very low32.2Very low103 Ų103150.8 Ų150.867%0.66979%0.786SS**  -141.3110.9-54.836.1-16.5000113.5
627Q29.5Very low32.3Very low181 Ų181150.1 Ų150.185%0.84679%0.788SS**  trans-156.5110.1176.4-114.2173.78.200114.7
628Q32Very low32.4Very low174 Ų174151.3 Ų151.381%0.81379%0.793SS**  169.8107.5122.7-93.1159.89600113.3A630Q628-A630 HydrophobicContact CB-CB 4.38Å; Q628-A630 PolarHBondContact O-N 2.94Å; Q628-A630 VanDerWaalsContact O-N 3.15Å
629T27.7Very low32.5Very low160 Ų160151 Ų15198%0.98279%0.791SS**THydrogen-bonded Turntrans-74.388.1157.432.70000109.5
630A33.9Very low32.4Very low71 Ų71150.6 Ų150.659%0.58779%0.789SS**THydrogen-bonded Turntrans-143.4-29.7-179.600000115.3Q628Q628-A630 HydrophobicContact CB-CB 4.38Å; Q628-A630 PolarHBondContact O-N 2.94Å; Q628-A630 VanDerWaalsContact O-N 3.15Å
631E30.8Very low32.4Very low179 Ų179152 Ų15284%0.83679%0.791SS**SBendtrans-120.670.8-162.7-63-171.712900114.7
632Y29.6Very low32.3Very low208 Ų208151.4 Ų151.482%0.81679%0.788SS**SBendtrans-150.27.8157-109.1-69.3000115.5Q634 A635Y632-Q634 VanDerWaalsContact C-N 3.33Å; Y632-A635 HydrophobicContact CD1-CB 4.4Å
633H35.8Very low32.3Very low187 Ų187150.2 Ų150.287%0.86678%0.782SS**THydrogen-bonded Turntrans-85.42.5176.6-10124.6000114.8
634Q33.9Very low32.5Very low186 Ų186151.3 Ų151.387%0.86978%0.782SS**THydrogen-bonded Turntrans-104.1-4-178.5-151.716231.800114.3Y632Y632-Q634 VanDerWaalsContact C-N 3.33Å
635A31.1Very low32.6Very low67 Ų67154 Ų15455%0.55479%0.785SS**SBendtrans-88.3-13179.300000114.5Y632 L637Y632-A635 HydrophobicContact CD1-CB 4.4Å; A635-L637 VanDerWaalsContact C-N 3.34Å; A635-L637 PolarHBondContact O-N 3.34Å
636L33.3Very low32.9Very low147 Ų147152.6 Ų152.677%0.7778%0.779SS**THydrogen-bonded Turntrans-87.75.5-169.9-159.761000114.4
637L34.5Very low33Very low157 Ų157152.7 Ų152.782%0.82277%0.773SS**THydrogen-bonded Turntrans-120.312-173.5-83.8166000114.9A635A635-L637 VanDerWaalsContact C-N 3.34Å; A635-L637 PolarHBondContact O-N 3.34Å
638Q33.7Very low33.4Very low186 Ų186146.8 Ų146.887%0.86975%0.752SS**SBendtrans-126.98.5179.9-68.7-171.3-7.400115.3
639S30.9Very low33.8Very low86 Ų86145.2 Ų145.260%0.60175%0.745SS**  trans-97.3-3.9-179.356.90000115.6Q641S639-Q641 PolarHBondContact O-N 2.81Å
640Q32.6Very low34.5Very low189 Ų189140.4 Ų140.488%0.88372%0.717SS**  trans-80.556179.3-74.9-161.189.800113.7
641Q29.5Very low35.1Very low190 Ų190143.2 Ų143.289%0.88872%0.718SS**SBendtrans-166.172.6164.5-113.5167.536.600111.8S639S639-Q641 PolarHBondContact O-N 2.81Å
642P33Very low36Very low96 Ų96140.4 Ų140.462%0.62371%0.709SS**SBendtrans-142.78.6130.735.9-21.8000115.5L644 Q645P642-L644 VanDerWaalsContact C-N 3.3Å; P642-L644 PolarHBondContact O-N 3.16Å; P642-Q645 PolarHBondContact O-N 2.85Å
643Q34.8Very low36.8Very low168 Ų168137.4 Ų137.479%0.78570%0.702SS**Hα-helixtrans-68-18-169.1-111.9179.10.600116.3
644L35.4Very low37.9Very low155 Ų155134.2 Ų134.281%0.81269%0.691SS**Hα-helixtrans-83.9-14.6178.8-81.2167.1000114.4P642P642-L644 VanDerWaalsContact C-N 3.3Å; P642-L644 PolarHBondContact O-N 3.16Å
645Q37Very low38.9Very low160 Ų160130.2 Ų130.275%0.74867%0.672SS**Hα-helixtrans-96-9.9-175.6-159.5143.919.400113.8P642 S648P642-Q645 PolarHBondContact O-N 2.85Å; Q645-S648 PolarHBondContact O-OG 2.6Å
646Q37.8Very low40.3Very low154 Ų154132.1 Ų132.172%0.7267%0.672SS**Hα-helixtrans-88.3-32.5174.4-152170.117.200111.8S648 Q649 S650Q646-S648 PolarHBondContact O-N 2.72Å; Q646-Q649 PolarHBondContact O-N 2.83Å; Q646-S650 PolarHBondContact O-N 2.83Å; Q646-S650 PolarHBondContact O-OG 2.75Å
647L36.3Very low41.4Very low106 Ų106130.3 Ų130.356%0.55566%0.663SS**Hα-helixtrans-61.9-40.9179.3-12872.9000112.7Q649 S650 E651L647-Q649 VanDerWaalsContact C-N 3.32Å; L647-Q649 PolarHBondContact O-N 2.97Å; L647-S650 WeakPolarHBondContact CA-OG 3.48Å; L647-S650 PolarHBondContact O-N 2.89Å; L647-S650 PolarHBondContact O-OG 2.95Å; L647-E651 PolarHBondContact O-N 2.76Å
648S37.6Very low42.6Very low56 Ų56128.9 Ų128.939%0.39265%0.652SS.*Hα-helixtrans-68.7-26.4-179.356.40000113.7Q645 Q646 L652Q645-S648 PolarHBondContact O-OG 2.6Å; Q646-S648 PolarHBondContact O-N 2.72Å; S648-L652 WeakPolarHBondContact O-CB 3.31Å; S648-L652 PolarHBondContact O-N 2.79Å; S648-L652 VanDerWaalsContact O-N 3.14Å
649Q41.5Very low43.7Very low141 Ų141125.7 Ų125.766%0.65964%0.635SS**Hα-helixtrans-71.9-40.9169.8-79.1-161.726.500112.1Q646 L647 E651 L652 Q653Q646-Q649 PolarHBondContact O-N 2.83Å; L647-Q649 VanDerWaalsContact C-N 3.32Å; L647-Q649 PolarHBondContact O-N 2.97Å; Q649-E651 PolarHBondContact O-N 3.04Å; Q649-L652 PolarHBondContact O-N 3.46Å; Q649-Q653 WeakPolarHBondContact O-CB 3.44Å; Q649-Q653 PolarHBondContact O-N 2.94Å
650S41.8Very low45.1Very low59 Ų59125.6 Ų125.641%0.41363%0.627SS.*Hα-helixtrans-64.4-38.5176.341.70000112.6Q646 L647 Q653 L654Q646-S650 PolarHBondContact O-N 2.83Å; Q646-S650 PolarHBondContact O-OG 2.75Å; L647-S650 WeakPolarHBondContact CA-OG 3.48Å; L647-S650 PolarHBondContact O-N 2.89Å; L647-S650 PolarHBondContact O-OG 2.95Å; S650-Q653 PolarHBondContact O-N 3.15Å; S650-L654 WeakPolarHBondContact O-CB 3.49Å; S650-L654 PolarHBondContact O-N 3.31Å
651E45.6Very low46.1Very low130 Ų130123 Ų12361%0.60762%0.615SS**Hα-helixtrans-65.2-42.8173.6-71-173.6113.500112.3L647 Q649 Q653 L654 Q655L647-E651 PolarHBondContact O-N 2.76Å; Q649-E651 PolarHBondContact O-N 3.04Å; E651-Q653 VanDerWaalsContact C-N 3.33Å; E651-Q653 PolarHBondContact O-N 3.3Å; E651-L654 PolarHBondContact O-N 2.96Å; E651-Q655 VanDerWaalsContact O-CB 3.29Å; E651-Q655 WeakPolarHBondContact O-CB 3.31Å; E651-Q655 PolarHBondContact O-N 2.67Å
652L51.1Low47.2Very low121 Ų121120.2 Ų120.263%0.63460%0.602SS**Hα-helixtrans-60.6-41174.8-100.1164.3000112.3S648 Q649 Q655 L656S648-L652 WeakPolarHBondContact O-CB 3.31Å; S648-L652 PolarHBondContact O-N 2.79Å; S648-L652 VanDerWaalsContact O-N 3.14Å; Q649-L652 PolarHBondContact O-N 3.46Å; L652-Q655 PolarHBondContact O-N 2.82Å; L652-L656 WeakPolarHBondContact O-CB 3.41Å; L652-L656 PolarHBondContact O-N 2.98Å
653Q46.4Very low48Very low145 Ų145121.9 Ų121.968%0.67860%0.602SS**Hα-helixtrans-70.8-40.8-179.8-161.8172.9102.700112Q649 S650 E651 L656 L657Q649-Q653 WeakPolarHBondContact O-CB 3.44Å; Q649-Q653 PolarHBondContact O-N 2.94Å; S650-Q653 PolarHBondContact O-N 3.15Å; E651-Q653 VanDerWaalsContact C-N 3.33Å; E651-Q653 PolarHBondContact O-N 3.3Å; Q653-L656 PolarHBondContact O-N 2.84Å; Q653-L657 WeakPolarHBondContact O-CB 3.29Å; Q653-L657 PolarHBondContact O-N 3.27Å
654L57.6Low48.6Very low119 Ų119119.4 Ų119.462%0.62359%0.593SS**Hα-helixtrans-62.1-43.1171.2-87.5161.5000112.1S650 E651 L656 L657 Q658S650-L654 WeakPolarHBondContact O-CB 3.49Å; S650-L654 PolarHBondContact O-N 3.31Å; E651-L654 PolarHBondContact O-N 2.96Å; L654-L656 VanDerWaalsContact C-N 3.32Å; L654-L656 PolarHBondContact O-N 2.87Å; L654-L657 PolarHBondContact O-N 3.41Å; L654-Q658 WeakPolarHBondContact O-CB 3.26Å; L654-Q658 PolarHBondContact O-N 2.8Å
655Q55.2Low49.2Very low103 Ų103118.5 Ų118.548%0.48159%0.589SS.*Hα-helixtrans-71.3-28.3179.7-158.1-177.3105.800112.4E651 L652 K659E651-Q655 VanDerWaalsContact O-CB 3.29Å; E651-Q655 WeakPolarHBondContact O-CB 3.31Å; E651-Q655 PolarHBondContact O-N 2.67Å; L652-Q655 PolarHBondContact O-N 2.82Å; Q655-K659 WeakPolarHBondContact O-CB 3.41Å; Q655-K659 WeakPolarHBondContact O-CG 3.47Å; Q655-K659 PolarHBondContact O-N 3.06Å; Q655-K659 VanDerWaalsContact O-N 3.09Å
656L61Low49.4Very low106 Ų106115.9 Ų115.956%0.55558%0.579SS**Hα-helixtrans-69.5-46169.9-170.569.8000111.2L652 Q653 L654 Q658 K659 I660L652-L656 WeakPolarHBondContact O-CB 3.41Å; L652-L656 PolarHBondContact O-N 2.98Å; Q653-L656 PolarHBondContact O-N 2.84Å; L654-L656 VanDerWaalsContact C-N 3.32Å; L654-L656 PolarHBondContact O-N 2.87Å; L656-Q658 VanDerWaalsContact C-N 3.34Å; L656-Q658 PolarHBondContact O-N 2.7Å; L656-K659 WeakPolarHBondContact O-CB 3.43Å; L656-K659 PolarHBondContact O-N 3.43Å; L656-I660 HydrophobicContact CG-CD1 4.21Å; L656-I660 WeakPolarHBondContact O-CG1 3.38Å; L656-I660 PolarHBondContact O-N 3.03Å
657L55.4Low49.5Very low110 Ų110112.4 Ų112.458%0.57657%0.572SS**Hα-helixtrans-61.4-42.1177.3-172.564.9000111.7Q653 L654 K659 I660 Q661Q653-L657 WeakPolarHBondContact O-CB 3.29Å; Q653-L657 PolarHBondContact O-N 3.27Å; L654-L657 PolarHBondContact O-N 3.41Å; L657-K659 PolarHBondContact O-N 3.04Å; L657-I660 PolarHBondContact O-N 2.81Å; L657-Q661 PolarHBondContact O-N 3.22Å
658Q61.2Low49.9Very low127 Ų127116 Ų11659%0.59359%0.586SS**Hα-helixtrans-65.1-36.8175.2-167.8177.188.400112.2L654 L656 Q661 Q662L654-Q658 WeakPolarHBondContact O-CB 3.26Å; L654-Q658 PolarHBondContact O-N 2.8Å; L656-Q658 VanDerWaalsContact C-N 3.34Å; L656-Q658 PolarHBondContact O-N 2.7Å; Q658-Q661 PolarHBondContact O-N 2.77Å; Q658-Q662 WeakPolarHBondContact O-CB 3.35Å; Q658-Q662 PolarHBondContact O-N 3.27Å
659K56.8Low50Low119 Ų119119.3 Ų119.352%0.51760%0.599SS.*Hα-helixtrans-65.6-39.8171.8-81.6167.8177.31580112.5Q655 L656 L657 Q662 Q663Q655-K659 WeakPolarHBondContact O-CB 3.41Å; Q655-K659 WeakPolarHBondContact O-CG 3.47Å; Q655-K659 PolarHBondContact O-N 3.06Å; Q655-K659 VanDerWaalsContact O-N 3.09Å; L656-K659 WeakPolarHBondContact O-CB 3.43Å; L656-K659 PolarHBondContact O-N 3.43Å; L657-K659 PolarHBondContact O-N 3.04Å; K659-Q662 PolarHBondContact O-N 2.89Å; K659-Q663 WeakPolarHBondContact O-CB 3.38Å; K659-Q663 PolarHBondContact O-N 2.85Å
660I60.5Low49.9Very low84 Ų84118.8 Ų118.843%0.43160%0.6SS.*Hα-helixtrans-64.7-42.5175-69164.3000110.6L656 L657 Q662 Q663 N664L656-I660 HydrophobicContact CG-CD1 4.21Å; L656-I660 WeakPolarHBondContact O-CG1 3.38Å; L656-I660 PolarHBondContact O-N 3.03Å; L657-I660 PolarHBondContact O-N 2.81Å; I660-Q662 VanDerWaalsContact C-N 3.34Å; I660-Q662 PolarHBondContact O-N 2.85Å; I660-Q663 PolarHBondContact O-N 3.17Å; I660-N664 PolarHBondContact O-N 3.48Å
661Q53Low50.1Low134 Ų134120.3 Ų120.363%0.62661%0.609SS**Hα-helixtrans-63.4-39.2175.9-163.5173.92200112L657 Q658 N664 L665L657-Q661 PolarHBondContact O-N 3.22Å; Q658-Q661 PolarHBondContact O-N 2.77Å; Q661-N664 PolarHBondContact O-N 3.3Å; Q661-L665 WeakPolarHBondContact O-CD1 3.49Å; Q661-L665 PolarHBondContact O-N 3.02Å
662Q53.2Low50.1Low132 Ų132122.6 Ų122.662%0.61762%0.62SS**Hα-helixtrans-69.5-33.8175-161.9173103.300112.6Q658 K659 I660 N664 L665Q658-Q662 WeakPolarHBondContact O-CB 3.35Å; Q658-Q662 PolarHBondContact O-N 3.27Å; K659-Q662 PolarHBondContact O-N 2.89Å; I660-Q662 VanDerWaalsContact C-N 3.34Å; I660-Q662 PolarHBondContact O-N 2.85Å; Q662-N664 VanDerWaalsContact C-N 3.33Å; Q662-L665 PolarHBondContact O-N 3.04Å
663Q49.6Very low50.1Low131 Ų131123.8 Ų123.861%0.61262%0.622SS**Hα-helixtrans-65.7-34.7173.6-170.3170.999.400112.1K659 I660 L665 L666K659-Q663 WeakPolarHBondContact O-CB 3.38Å; K659-Q663 PolarHBondContact O-N 2.85Å; I660-Q663 PolarHBondContact O-N 3.17Å; Q663-L665 PolarHBondContact O-N 3.42Å; Q663-L666 PolarHBondContact O-N 3.38Å
664N47.6Very low50Low115 Ų115121.9 Ų121.962%0.61561%0.613SS**Hα-helixtrans-67.3-30.7174.1-100-30.8000113.6I660 Q661 Q662 L666 S667I660-N664 PolarHBondContact O-N 3.48Å; Q661-N664 PolarHBondContact O-N 3.3Å; Q662-N664 VanDerWaalsContact C-N 3.33Å; N664-L666 VanDerWaalsContact C-N 3.28Å; N664-L666 PolarHBondContact O-N 3.37Å; N664-S667 WeakPolarHBondContact O-CB 3.42Å; N664-S667 PolarHBondContact O-N 3.37Å; N664-S667 PolarHBondContact O-OG 3.44Å
665L46.2Very low49.4Very low136 Ų136120.4 Ų120.471%0.71261%0.612SS**Hα-helixtrans-70.4-21.7173.9-92.981.6000113.4Q661 Q662 Q663 S667Q661-L665 WeakPolarHBondContact O-CD1 3.49Å; Q661-L665 PolarHBondContact O-N 3.02Å; Q662-L665 PolarHBondContact O-N 3.04Å; Q663-L665 PolarHBondContact O-N 3.42Å; L665-S667 PolarHBondContact O-N 3.01Å
666L41.2Very low49.3Very low105 Ų105122.5 Ų122.555%0.5562%0.622SS.*G310 helixtrans-78.40.4177.4-79.8159.2000113.8Q663 N664 Q668 L669Q663-L666 PolarHBondContact O-N 3.38Å; N664-L666 VanDerWaalsContact C-N 3.28Å; N664-L666 PolarHBondContact O-N 3.37Å; L666-Q668 PolarHBondContact O-N 2.93Å; L666-L669 HydrophobicContact CD2-CD1 4.13Å
667S40.3Very low48.7Very low82 Ų82122.2 Ų122.257%0.57362%0.621SS**G310 helixtrans-71.4-8.6178.860.90000115.2N664 L665N664-S667 WeakPolarHBondContact O-CB 3.42Å; N664-S667 PolarHBondContact O-N 3.37Å; N664-S667 PolarHBondContact O-OG 3.44Å; L665-S667 PolarHBondContact O-N 3.01Å
668Q45.4Very low48.6Very low180 Ų180121.8 Ų121.884%0.84162%0.618SS**G310 helixtrans-102.623.2-176.1-59.2-168.513.500114.5L666L666-Q668 PolarHBondContact O-N 2.93Å
669L40.4Very low48.1Very low127 Ų127122 Ų12267%0.66562%0.619SS**SBendtrans-121.6150.5-177.3-78164.9000113.5L666L666-L669 HydrophobicContact CD2-CD1 4.13Å
670N39.3Very low48Very low129 Ų129123 Ų12369%0.6963%0.626SS**  trans-54.9135.8-161.5-124.811.7000114.3Q672 H673N670-Q672 VanDerWaalsContact C-N 3.26Å; N670-Q672 PolarHBondContact O-N 3.5Å; N670-H673 PolarHBondContact O-N 3.06Å
671P46.2Very low47.4Very low92 Ų92123.6 Ų123.660%0.59763%0.629SS**Hα-helixtrans-63.2-21.4-166.722.2-33.5000115.5H673 Q674P671-H673 PolarHBondContact O-N 3.4Å; P671-Q674 WeakPolarHBondContact O-CB 3.47Å; P671-Q674 PolarHBondContact O-N 3.18Å
672Q44.4Very low46.9Very low177 Ų177120.5 Ų120.583%0.82762%0.622SS**Hα-helixtrans-70.7-26178.6-77.3-160.4-33.900114.9N670 Q674N670-Q672 VanDerWaalsContact C-N 3.26Å; N670-Q672 PolarHBondContact O-N 3.5Å; Q672-Q674 VanDerWaalsContact C-N 3.34Å
673H52Low46.9Very low146 Ų146120.3 Ų120.368%0.67662%0.621SS**Hα-helixtrans-81.6-16.6174.9-76.8127.6000113N670 P671 S675 L677N670-H673 PolarHBondContact O-N 3.06Å; P671-H673 PolarHBondContact O-N 3.4Å; H673-S675 PolarHBondContact O-N 3.4Å; H673-L677 PolarHBondContact O-N 3.24Å
674Q43.4Very low46.7Very low106 Ų106120.8 Ų120.850%0.49562%0.621SS.*Hα-helixtrans-65.2-41.7-173.5-142.5177.415.900111.9P671 Q672 Q676 L677 I678P671-Q674 WeakPolarHBondContact O-CB 3.47Å; P671-Q674 PolarHBondContact O-N 3.18Å; Q672-Q674 VanDerWaalsContact C-N 3.34Å; Q674-Q676 PolarHBondContact O-N 3.17Å; Q674-L677 PolarHBondContact O-N 3.26Å; Q674-I678 HydrophobicContact CG-CD1 3.98Å; Q674-I678 WeakPolarHBondContact O-CB 3.5Å; Q674-I678 VanDerWaalsContact O-CG1 3.27Å; Q674-I678 WeakPolarHBondContact O-CG1 3.36Å; Q674-I678 PolarHBondContact O-N 2.99Å
675S44.4Very low46.5Very low87 Ų87118.5 Ų118.561%0.60862%0.615SS**Hα-helixtrans-64.8-38.9-176.2-54.40000114.2H673 Q679H673-S675 PolarHBondContact O-N 3.4Å; S675-Q679 WeakPolarHBondContact O-CB 3.34Å; S675-Q679 PolarHBondContact O-N 3.28Å
676Q53.4Low46.4Very low147 Ų147118.5 Ų118.569%0.68761%0.611SS**Hα-helixtrans-72.1-39.2178.8-71-172.5-6.100111.9Q674 Q679 Q680Q674-Q676 PolarHBondContact O-N 3.17Å; Q676-Q679 PolarHBondContact O-N 3.04Å; Q676-Q680 PolarHBondContact O-N 3.47Å; Q676-Q680 VanDerWaalsContact O-N 3.16Å
677L48.5Very low46.6Very low100 Ų100119.7 Ų119.752%0.52461%0.614SS.*Hα-helixtrans-69.4-40.5179.4-124.1166.8000111.8H673 Q674 Q679 Q680 L681H673-L677 PolarHBondContact O-N 3.24Å; Q674-L677 PolarHBondContact O-N 3.26Å; L677-Q679 VanDerWaalsContact C-N 3.31Å; L677-Q679 PolarHBondContact O-N 3.41Å; L677-Q680 PolarHBondContact O-N 2.99Å; L677-L681 HydrophobicContact CD2-CD1 3.9Å; L677-L681 HydrophobicContact CD2-CG 4.34Å; L677-L681 WeakPolarHBondContact O-CB 3.36Å; L677-L681 WeakPolarHBondContact O-CG 3.48Å; L677-L681 PolarHBondContact O-N 3.13Å
678I53.6Low47.2Very low101 Ų101120.7 Ų120.752%0.51861%0.611SS.*Hα-helixtrans-60.1-41172.7-72.9169.1000111.1Q674 L681 S682Q674-I678 HydrophobicContact CG-CD1 3.98Å; Q674-I678 WeakPolarHBondContact O-CB 3.5Å; Q674-I678 VanDerWaalsContact O-CG1 3.27Å; Q674-I678 WeakPolarHBondContact O-CG1 3.36Å; Q674-I678 PolarHBondContact O-N 2.99Å; I678-L681 PolarHBondContact O-N 3.45Å; I678-S682 WeakPolarHBondContact O-CB 3.31Å; I678-S682 PolarHBondContact O-N 2.75Å
679Q51.1Low47.1Very low133 Ų133117.2 Ų117.262%0.62160%0.598SS**Hα-helixtrans-68.3-38.4-178.7-164166.593.100112.6S675 Q676 L677 Q683S675-Q679 WeakPolarHBondContact O-CB 3.34Å; S675-Q679 PolarHBondContact O-N 3.28Å; Q676-Q679 PolarHBondContact O-N 3.04Å; L677-Q679 VanDerWaalsContact C-N 3.31Å; L677-Q679 PolarHBondContact O-N 3.41Å; Q679-Q683 PolarHBondContact O-N 3.17Å
680Q53.9Low47.2Very low140 Ų140118.2 Ų118.265%0.65460%0.599SS**Hα-helixtrans-68.6-40.4171.9-71.2-172.1-5.800112.9Q676 L677 S682 Q683 K684Q676-Q680 PolarHBondContact O-N 3.47Å; Q676-Q680 VanDerWaalsContact O-N 3.16Å; L677-Q680 PolarHBondContact O-N 2.99Å; Q680-S682 VanDerWaalsContact C-N 3.32Å; Q680-S682 PolarHBondContact O-N 3.4Å; Q680-Q683 PolarHBondContact O-N 2.82Å; Q680-K684 PolarHBondContact O-N 3.02Å; Q680-K684 VanDerWaalsContact O-N 3.13Å
681L49.1Very low47.5Very low95 Ų95119.2 Ų119.250%0.49760%0.6SS.*Hα-helixtrans-64.4-36.2176.4-81.1162.9000112.2L677 I678 S685L677-L681 HydrophobicContact CD2-CD1 3.9Å; L677-L681 HydrophobicContact CD2-CG 4.34Å; L677-L681 WeakPolarHBondContact O-CB 3.36Å; L677-L681 WeakPolarHBondContact O-CG 3.48Å; L677-L681 PolarHBondContact O-N 3.13Å; I678-L681 PolarHBondContact O-N 3.45Å; L681-S685 WeakPolarHBondContact O-CB 3.5Å; L681-S685 PolarHBondContact O-N 3.15Å
682S43Very low47.4Very low69 Ų69121.1 Ų121.148%0.48360%0.601SS.*Hα-helixtrans-62.5-49176.1-175.70000112.1I678 Q680 K684 S685 Q686I678-S682 WeakPolarHBondContact O-CB 3.31Å; I678-S682 PolarHBondContact O-N 2.75Å; Q680-S682 VanDerWaalsContact C-N 3.32Å; Q680-S682 PolarHBondContact O-N 3.4Å; S682-K684 PolarHBondContact O-N 3.35Å; S682-S685 PolarHBondContact O-N 2.87Å; S682-Q686 PolarHBondContact O-N 3.2Å
683Q51.8Low47.3Very low129 Ų129117.3 Ų117.360%0.60359%0.589SS**Hα-helixtrans-60.9-46.8177.7-70.7178.9-8.800111.7Q679 Q680 S685 Q686 E687Q679-Q683 PolarHBondContact O-N 3.17Å; Q680-Q683 PolarHBondContact O-N 2.82Å; Q683-S685 VanDerWaalsContact C-N 3.27Å; Q683-S685 PolarHBondContact O-N 2.91Å; Q683-Q686 PolarHBondContact O-N 3.06Å; Q683-Q686 VanDerWaalsContact O-N 3.14Å; Q683-E687 PolarHBondContact O-N 2.79Å
684K46.6Very low46.6Very low140 Ų140117 Ų11761%0.60959%0.592SS**Hα-helixtrans-69.6-23.2-178.4-156.6163.5-168.8168.40113.7Q680 S682Q680-K684 PolarHBondContact O-N 3.02Å; Q680-K684 VanDerWaalsContact O-N 3.13Å; S682-K684 PolarHBondContact O-N 3.35Å
685S41.7Very low46.4Very low68 Ų68119.6 Ų119.648%0.47660%0.604SS.*Hα-helixtrans-71.5-37.7171.6-166.20000111.9L681 S682 Q683 I688 L689L681-S685 WeakPolarHBondContact O-CB 3.5Å; L681-S685 PolarHBondContact O-N 3.15Å; S682-S685 PolarHBondContact O-N 2.87Å; Q683-S685 VanDerWaalsContact C-N 3.27Å; Q683-S685 PolarHBondContact O-N 2.91Å; S685-I688 PolarHBondContact O-N 2.81Å; S685-L689 PolarHBondContact O-N 3.41Å; S685-L689 VanDerWaalsContact O-N 3.11Å
686Q44.9Very low46.1Very low135 Ų135123.8 Ų123.863%0.63161%0.614SS**Hα-helixtrans-66.1-36.9176.5-72.1-171.8-18.900112.9S682 Q683 I688 L689 Q690S682-Q686 PolarHBondContact O-N 3.2Å; Q683-Q686 PolarHBondContact O-N 3.06Å; Q683-Q686 VanDerWaalsContact O-N 3.14Å; Q686-I688 VanDerWaalsContact C-N 3.35Å; Q686-I688 PolarHBondContact O-N 3.08Å; Q686-L689 PolarHBondContact O-N 2.92Å; Q686-Q690 WeakPolarHBondContact O-CB 3.29Å; Q686-Q690 PolarHBondContact O-N 2.9Å
687E46.2Very low45Very low131 Ų131124.2 Ų124.261%0.61262%0.616SS**Hα-helixtrans-60.6-42.6175-66.1-174.9129.500112.2Q683 Q690 Q691Q683-E687 PolarHBondContact O-N 2.79Å; E687-Q690 PolarHBondContact O-N 2.78Å; E687-Q691 WeakPolarHBondContact O-CB 3.24Å; E687-Q691 PolarHBondContact O-N 3.22Å; E687-Q691 VanDerWaalsContact O-N 3.1Å
688I51.7Low44.3Very low102 Ų102130 Ų13052%0.52364%0.637SS.*Hα-helixtrans-67-43.7178.9-67.1170.1000110.9S685 Q686 Q690 Q691 Q692S685-I688 PolarHBondContact O-N 2.81Å; Q686-I688 VanDerWaalsContact C-N 3.35Å; Q686-I688 PolarHBondContact O-N 3.08Å; I688-Q690 VanDerWaalsContact C-N 3.35Å; I688-Q690 PolarHBondContact O-N 3.11Å; I688-Q691 PolarHBondContact O-N 3.45Å; I688-Q692 PolarHBondContact O-N 2.99Å; I688-Q692 VanDerWaalsContact O-N 3.15Å
689L42.7Very low43.2Very low108 Ų108129.3 Ų129.357%0.56566%0.655SS**Hα-helixtrans-63.6-40.2177.9-123.5158.1000111.7S685 Q686 Q691 Q692 V693S685-L689 PolarHBondContact O-N 3.41Å; S685-L689 VanDerWaalsContact O-N 3.11Å; Q686-L689 PolarHBondContact O-N 2.92Å; L689-Q691 VanDerWaalsContact C-N 3.29Å; L689-Q691 PolarHBondContact O-N 3.09Å; L689-Q692 PolarHBondContact O-N 2.88Å; L689-V693 WeakPolarHBondContact O-CG2 3.47Å; L689-V693 PolarHBondContact O-N 3.02Å
690Q44.1Very low42.1Very low147 Ų147126.9 Ų126.969%0.68767%0.666SS**Hα-helixtrans-68.8-27.1177-161.5165.6113.300112.7Q686 E687 I688Q686-Q690 WeakPolarHBondContact O-CB 3.29Å; Q686-Q690 PolarHBondContact O-N 2.9Å; E687-Q690 PolarHBondContact O-N 2.78Å; I688-Q690 VanDerWaalsContact C-N 3.35Å; I688-Q690 PolarHBondContact O-N 3.11Å
691Q44.9Very low41.1Very low150 Ų150124.5 Ų124.570%0.70167%0.67SS**Hα-helixtrans-79.8-26.8177-157.9160.4108.400113.3E687 I688 L689E687-Q691 WeakPolarHBondContact O-CB 3.24Å; E687-Q691 PolarHBondContact O-N 3.22Å; E687-Q691 VanDerWaalsContact O-N 3.1Å; I688-Q691 PolarHBondContact O-N 3.45Å; L689-Q691 VanDerWaalsContact C-N 3.29Å; L689-Q691 PolarHBondContact O-N 3.09Å
692Q44.4Very low40.3Very low132 Ų132127.9 Ų127.962%0.61769%0.689SS**Hα-helixtrans-76.5-36.9174-72.3-177-1800112.9I688 L689 L694 Q695I688-Q692 PolarHBondContact O-N 2.99Å; I688-Q692 VanDerWaalsContact O-N 3.15Å; L689-Q692 PolarHBondContact O-N 2.88Å; Q692-L694 PolarHBondContact O-N 3.16Å; Q692-L694 VanDerWaalsContact O-N 3.17Å; Q692-Q695 PolarHBondContact O-N 3.48Å
693V42.2Very low39.9Very low97 Ų97129.1 Ų129.159%0.58870%0.703SS**Hα-helixtrans-61.9-24.1178.3171.40000112.9L689 Q695L689-V693 WeakPolarHBondContact O-CG2 3.47Å; L689-V693 PolarHBondContact O-N 3.02Å; V693-Q695 VanDerWaalsContact C-N 3.33Å
694L38.1Very low38.8Very low141 Ų141132.5 Ų132.574%0.73872%0.721SS**THydrogen-bonded Turntrans-81.8-2.6175.9-84.6163.1000114.7Q692Q692-L694 PolarHBondContact O-N 3.16Å; Q692-L694 VanDerWaalsContact O-N 3.17Å
695Q37.6Very low38.2Very low159 Ų159129.3 Ų129.374%0.74373%0.729SS**THydrogen-bonded Turntrans-11611.2-173.3-146.6171.2109.100114.4Q692 V693Q692-Q695 PolarHBondContact O-N 3.48Å; V693-Q695 VanDerWaalsContact C-N 3.33Å
696H38.3Very low37.8Very low176 Ų176135.1 Ų135.182%0.81575%0.748SS**SBendtrans-123.525.8177.3-77.110.9000113.4
697Q31.7Very low37Very low156 Ų156136.6 Ų136.673%0.72976%0.76SS**SBendtrans-118.846.8174.4-80.5-172.383.100113
698F32.5Very low36.5Very low220 Ų220139.7 Ų139.797%0.96577%0.771SS**SBendtrans-162.5127159.8-91.7-67.3000109.2
699G30.4Very low35.6Very low87 Ų87142.5 Ų142.590%0.89778%0.781SS**  trans127.177.217700000113.8
700G28Very low34.9Very low83 Ų83144.3 Ų144.386%0.85679%0.791SS**  trans-171.659.8-177.200000113.6
701A33.4Very low34.3Very low89 Ų89143.8 Ų143.874%0.73679%0.789SS**  trans-157.7166.9172.500000111.3
702D32.4Very low33.8Very low166 Ų166144.5 Ų144.589%0.88879%0.792SS**  trans66.894.9160.4-55.4-21.7000119.5
703A33.8Very low33.2Very low96 Ų96144.1 Ų144.179%0.79380%0.799SS**  trans-127.3138.4150.600000110.3
704M30.2Very low32.9Very low199 Ų199145 Ų14598%0.9881%0.807SS**  trans68.4111.5173.2-60.4-143.6-66.200119.9
705G32.9Very low32.5Very low74 Ų74145.2 Ų145.276%0.76381%0.808SS**  trans145.5131.1160.800000112.1
706Q34.3Very low32.4Very low189 Ų189143.9 Ų143.988%0.88381%0.806SS**  cis-143.7154.9-10.8-64.5-177.4-0.500108.6
707L26.8Very low32.3Very low167 Ų167142.6 Ų142.687%0.87480%0.8SS**  trans-125.694.6174.9-156.9170.3000110.5
708K35.8Very low32.4Very low196 Ų196140.9 Ų140.985%0.85280%0.796SS**  trans-151.498171.7-75.5-168.4179.21800112.6
709H32.6Very low32.6Very low160 Ų160136.9 Ų136.974%0.74179%0.789SS**  -158.3152.9122.3-154.6-87.4000109.8
710L28.7Very low32.7Very low146 Ų146135.8 Ų135.876%0.76478%0.778SS**  trans-78.8165.3172.3-65.273.7000109.8
711Q32Very low33Very low137 Ų137137.9 Ų137.964%0.6478%0.779SS**  153.7117.5101.3-169.6156.2-1.700114.4
712Q33.5Very low32.9Very low164 Ų164141.3 Ų141.377%0.76679%0.785SS**  trans66.5114.1150.6-72159.9-5.300121.7
713T31.2Very low33.2Very low125 Ų125139.1 Ų139.177%0.76778%0.779SS**  trans-37.3159.3144.510.70000115.2
714P36.8Very low33.4Very low115 Ų115139.7 Ų139.775%0.74778%0.775SS**  -149149.666.139.6-19.5000120.4
715L30.7Very low33.5Very low146 Ų146137.9 Ų137.976%0.76476%0.764SS**  trans23.7132.4134-60.5162.7000120.7
716N34.1Very low33.5Very low131 Ų131141.6 Ų141.670%0.70176%0.762SS**  -170.8143.7108.3-97.4-17.8000114.7
717H37.3Very low33.3Very low148 Ų148139.4 Ų139.469%0.68576%0.755SS**  trans37.9145.1142.9-61.7-53.5000122.2
718N33.9Very low33.6Very low121 Ų121136.6 Ų136.665%0.64775%0.745SS**  cis-165.81591.7-119.1-2.6000111.9
719T35.3Very low33.4Very low135 Ų135137.5 Ų137.583%0.82874%0.743SS**  trans47.4139.8149.957.40000121.6
720G33.6Very low33.5Very low64 Ų64133.3 Ų133.366%0.6673%0.731SS**  cis161.5170.8-2.100000113.6
721S34.8Very low34Very low127 Ų127134.2 Ų134.289%0.88873%0.731SS**  trans63.8130.5166.350.10000121.9
722L30.5Very low34.2Very low162 Ų162132.8 Ų132.885%0.84874%0.737SS**  trans-101.1-165.7156.4-40.194.4000109.2
723P37.6Very low34.5Very low119 Ų119128.7 Ų128.777%0.77373%0.731SS**  cis-120.2-114.3-30.120.53.9000112.9
724P40Very low34.9Very low108 Ų108130.5 Ų130.570%0.70174%0.735SS**  -118.1172.8-112.237.7-21.6000115.2
725Q31.7Very low35.1Very low161 Ų161129.8 Ų129.875%0.75273%0.729SS**  trans147.7149.5136-83.5-163.80.700115.4
726Q32.9Very low35.5Very low152 Ų152131 Ų13171%0.7173%0.73SS**  trans69.9105.8143.1-76.8-171.416.400124.1
727L29.9Very low35.8Very low143 Ų143129 Ų12975%0.74973%0.727SS**  86.3124.798.3-137.787.7000122.3
728V32.4Very low36Very low109 Ų109129.7 Ų129.766%0.66173%0.73SS**  102.1130.3126.7116.90000123
729R32.4Very low36.4Very low215 Ų215132.1 Ų132.181%0.81174%0.738SS**  trans75.7150.4148.4-77.6-171.5175.7145.21.2122.8
730S34.7Very low36.8Very low71 Ų71130.7 Ų130.750%0.49773%0.731SS.*  cis-179.5178.3-30.943.40000112.7
731H38.5Very low37.1Very low165 Ų165133.1 Ų133.176%0.76474%0.737SS**  trans82.7146.3162.9-54-53.9000116.5
732S37.5Very low37.2Very low108 Ų108132.4 Ų132.476%0.75573%0.733SS**  cis-171.4171-4.4-98.70000109.3
733A38.4Very low37.6Very low77 Ų77129.6 Ų129.664%0.63673%0.726SS**  cis-177.9164.7-26.500000110.6
734L39.6Very low37.6Very low164 Ų164130.5 Ų130.586%0.85973%0.73SS**  trans72.5153.2161.7-61.2170.7000119.2
735T40.5Very low37.5Very low100 Ų100131.7 Ų131.761%0.61374%0.735SS**  cis-151.2151.94.3-0.60000112.7
736E40.1Very low37.7Very low171 Ų171129.7 Ų129.780%0.79974%0.736SS**  trans58.7146.5142.8-68.2172.2142.400121.8
737S40.4Very low38Very low89 Ų89128.5 Ų128.562%0.62275%0.745SS**  cis-166.4157.2-1.3-113.40000114.1
738E40.4Very low38Very low163 Ų163125.5 Ų125.576%0.76275%0.748SS**  trans52.4146.9153.6-51.4-6358.500120.9
739E42.3Very low38.1Very low171 Ų171125.5 Ų125.580%0.79975%0.753SS**  cis-151.2165.4-4.6-123.3-158.8125.100109.9
740P44Very low37.9Very low105 Ų105127 Ų12768%0.68276%0.758SS**  trans-118.1170.1-165.142.6-34.6000117.2
741S40.9Very low38Very low115 Ų115131 Ų13180%0.80477%0.773SS**  trans-162.9115.7143.7-88.20000115
742S35.8Very low37.7Very low113 Ų113127.5 Ų127.579%0.7977%0.766SS**  trans29.6146130.7-50.50000122.6
743S38.8Very low37.4Very low102 Ų102128.6 Ų128.671%0.71377%0.771SS**  cis174.4135.3-23.347.90000109.6
744T39Very low37.4Very low139 Ų139131.8 Ų131.885%0.85378%0.776SS**  trans-179.7146.5137.9-780000110.4
745V38.1Very low36.9Very low132 Ų132131.7 Ų131.780%0.878%0.776SS**  trans-68.3158.2-166.4-81.50000116.8
746P35.5Very low36.7Very low120 Ų120132.3 Ų132.378%0.77979%0.785SS**  trans-90.5156.3177.837.2-35.6000113.6
747S38Very low36.3Very low127 Ų127133.1 Ų133.189%0.88879%0.786SS**  trans-133.3111164.6-77.10000110.3
748G31.7Very low35.9Very low79 Ų79133.9 Ų133.981%0.81479%0.791SS**  trans-100.8128.2171.600000111
749S34.2Very low35.5Very low109 Ų109136.9 Ų136.976%0.76280%0.796SS**  trans-114.399.3176.6-68.60000111
750R28.7Very low35.1Very low248 Ų248132.7 Ų132.794%0.93679%0.79SS**  trans-79.3128.9157.5-49.4-179.1-163.7-164.14.1106.8
751I35.1Very low34.7Very low155 Ų155133.7 Ų133.780%0.79579%0.79SS**  trans-126.9128.7169.3-60.7-176000108.8
752S32.4Very low34.5Very low90 Ų90136.4 Ų136.463%0.62979%0.79SS**  trans-86156.1-172.1-46.80000112.2
753P31.7Very low34.6Very low131 Ų131134.7 Ų134.785%0.85179%0.79SS**  trans-69.4130.8160.830.7-32.9000109.7
754I37.7Very low34.4Very low144 Ų144136.2 Ų136.274%0.73880%0.795SS**  trans-128.2111.3173.1-64.4-178.5000109.4
755N29.4Very low34.3Very low162 Ų162140 Ų14087%0.86679%0.794SS**  trans-91.5136.6155.3-83.2-27.7000107.2
756S37.1Very low34.2Very low114 Ų114140.4 Ų140.480%0.79779%0.791SS**  trans-159.3143.1162.1-81.30000111.3
757F30.6Very low34.3Very low187 Ų187141.9 Ų141.982%0.8279%0.792SS**  trans-124.2145.8-172.7-101.1-91.1000112.1
758S32.1Very low34.2Very low105 Ų105140.6 Ų140.673%0.73478%0.781SS**  trans66.4159.8164.879.70000116.1
759R32.8Very low34.3Very low227 Ų227145 Ų14586%0.85778%0.78SS**  cis-154173.824-175168.4-75.9-161-6.6111.6
760A34.1Very low34.3Very low82 Ų82147.8 Ų147.868%0.67878%0.783SS**  trans-54.9171175.900000114.2
761N36Very low34.7Very low127 Ų127141.5 Ų141.568%0.67977%0.774SS**  -172.915050.2-159.119.6000115.1
762Q35.7Very low34.8Very low172 Ų172138.9 Ų138.980%0.80478%0.776SS**  trans42.4132.5153.3-77.8166.464.200123.5
763G38.7Very low35Very low77 Ų77140.8 Ų140.879%0.79478%0.784SS**  trans177.1128.6160.900000111.7
764T33.7Very low35.5Very low133 Ų133140.1 Ų140.182%0.81678%0.779SS**  trans-130149.8-159.5-31.40000115
765R36.8Very low35.2Very low220 Ų220140.3 Ų140.383%0.8378%0.777SS**  trans107.8142.8149.5-73.4-169.9168.4166.9-3.2120.1
766N36.6Very low35.6Very low139 Ų139140.3 Ų140.374%0.74378%0.775SS**  trans75.6138.8158.4-59.1-10.6000117.5
767L37.5Very low35.3Very low151 Ų151142.1 Ų142.179%0.79177%0.771SS**  cis-156.1-171.5-18.6-119.7165.9000107.2
768P36.5Very low35.4Very low101 Ų101140.2 Ų140.266%0.65676%0.764SS**  -110.4-175-12544.2-32.1000116.7
769E32.2Very low35.4Very low172 Ų172143.7 Ų143.780%0.80477%0.773SS**  trans83.597143.5-162.8161-138.600119.6
770M36Very low35.3Very low167 Ų167139.8 Ų139.882%0.82377%0.769SS**  179.6128.9120.5-96.3-59.2-67.300110.4
771P35.7Very low35Very low116 Ų116143.5 Ų143.575%0.75377%0.772SS**  trans-94.4137178.434.6-31.5000112.9
772A37.9Very low34.8Very low100 Ų100146.3 Ų146.383%0.82678%0.781SS**  trans-142.6118.2166.600000110.3
773T36.5Very low34.9Very low130 Ų130145.7 Ų145.780%0.79878%0.782SS**  trans-85.2169.217049.30000110.9
774P41.8Very low34.5Very low116 Ų116150 Ų15075%0.75378%0.781SS**  -136.2149.6101.237.2-27.8000115
775H31.4Very low34.6Very low149 Ų149148.9 Ų148.969%0.6978%0.779SS**  trans-65155157.2-108.3-126.5000109.9E777H775-E777 IonicContact CE1-OE2 3.84Å; H775-E777 PolarHBondContact CE1-OE2 3.47Å; H775-E777 IonicContact ND1-OE2 2.77Å; H775-E777 PolarHBondContact ND1-OE2 2.78Å
776I39Very low34.5Very low162 Ų162147.2 Ų147.283%0.83178%0.778SS**  trans-126.487159.4-58.1-176.4000108.7
777E30.7Very low34.5Very low152 Ų152146.8 Ų146.871%0.7178%0.78SS**  trans-125.882164.5-74.5178.311800108.4H775H775-E777 IonicContact CE1-OE2 3.84Å; H775-E777 PolarHBondContact CE1-OE2 3.47Å; H775-E777 IonicContact ND1-OE2 2.77Å; H775-E777 PolarHBondContact ND1-OE2 2.78Å
778H32.5Very low34.2Very low146 Ų146146.2 Ų146.268%0.67678%0.778SS**  trans-163.5121.6159.7-132.7-107.8000112.4L780H778-L780 PolarHBondContact CE1-O 3.49Å; H778-L780 PolarHBondContact ND1-O 2.63Å; H778-L780 VanDerWaalsContact ND1-O 3.1Å
779L31.9Very low34.1Very low178 Ų178148.7 Ų148.793%0.93279%0.786SS**  trans-147.453.4154.1-158.493000110.7
780L30Very low33.9Very low145 Ų145151.2 Ų151.276%0.75979%0.788SS**  trans-132.5158.7167.8-89.5170.9000109.7H778H778-L780 PolarHBondContact CE1-O 3.49Å; H778-L780 PolarHBondContact ND1-O 2.63Å; H778-L780 VanDerWaalsContact ND1-O 3.1Å
781Q28.8Very low33.7Very low161 Ų161151.6 Ų151.675%0.75279%0.791SS**  trans68.181.8161.5-161157.188.800117.1
782E31Very low33.5Very low186 Ų186153.9 Ų153.987%0.86979%0.79SS**  trans-111.3169.1145.8-171163.7-162.300109.2
783I37.9Very low33.2Very low159 Ų159154.2 Ų154.282%0.81578%0.777SS**  trans70.270.2-175.9-41.9-179.9000113.8
784Q30.2Very low32.8Very low167 Ų167153.6 Ų153.678%0.7877%0.769SS**  trans-82.5144.9151-66.1-179.5-6.800110.2
785S34.8Very low32.4Very low110 Ų110154 Ų15477%0.76976%0.764SS**  -173.8138.9129.833.30000115.5
786K36.6Very low32.4Very low185 Ų185156 Ų15680%0.80477%0.773SS**  trans81.793.4150.2-74.9179.7176.4178.70122.2
787T35.7Very low32Very low130 Ų130151.2 Ų151.280%0.79876%0.764SS**  86.6124117.449.20000122.2
788D30.4Very low32.2Very low138 Ų138149.9 Ų149.974%0.73877%0.771SS**  trans-56.1156.1165.3-60.4-102.1000116
789N34.7Very low32.2Very low154 Ų154152.6 Ų152.682%0.82478%0.781SS**  -169113.798.6-100.8-76.1000115.6
790R28.2Very low32.2Very low225 Ų225153.5 Ų153.585%0.84978%0.781SS**  trans-11.3134.7144.1-177.8-171.6-161.8171.36.1117.8
791I32.9Very low32.3Very low174 Ų174152 Ų15289%0.89278%0.778SS**  trans-161.1174.3134.1-104.2156.2000110.4
792K31.2Very low32.5Very low165 Ų165150.4 Ų150.472%0.71778%0.779SS**  trans-129.1169.7-145.3-151.6-166.8165.5-114.70112.3
793N30.3Very low32.6Very low106 Ų106149.6 Ų149.657%0.56778%0.775SS**  trans72153.3158.9-73.920.5000117
794D28.4Very low32.3Very low117 Ų117146.3 Ų146.363%0.62677%0.772SS**  cis-164.7161.4-8.4-114.4-22000114.3
795I33.7Very low32.7Very low125 Ų125144.7 Ų144.764%0.64178%0.775SS**  trans70.7121.7139.1-70.8167.1000123.5
796Q32.5Very low32.5Very low191 Ų191147 Ų14789%0.89378%0.779SS**  trans57.2154.8146.3-69.1168.6-12.600121.8
797G29.7Very low32.3Very low62 Ų62149.7 Ų149.764%0.63978%0.784SS**  cis172.9177.6-4.100000114.4
798S34.6Very low32Very low123 Ų123152.3 Ų152.386%0.8679%0.787SS**  trans65.7132.6-174.168.30000116
799K33Very low32.2Very low203 Ų203153.6 Ų153.688%0.88379%0.793SS**  cis89.2111.125.9-78.9-160.1171-171.60116.6
800E31.1Very low32.1Very low197 Ų197150.8 Ų150.892%0.92179%0.791SS**  trans-151.4-179.3130.3-132.7166.7-160.300111.5
801T32.1Very low32.1Very low113 Ų113145.3 Ų145.369%0.69379%0.787SS**  trans-145.4161.8-150.6-35.20000112.7
802V33.6Very low32.2Very low128 Ų128144.9 Ų144.978%0.77679%0.787SS**  166.8124.4127.6157.10000114.2
803H32.2Very low32.1Very low169 Ų169144.6 Ų144.678%0.78279%0.788SS**  trans-0.7151.3159.6-57.6-79.2000125.4
804A32.7Very low32.5Very low91 Ų91146.2 Ų146.275%0.75280%0.796SS**  trans-118.1161.5147.900000110.7
805P39.2Very low32.7Very low132 Ų132147.6 Ų147.686%0.85780%0.803SS**  trans-112.9159.3172.138.5-29.5000114.3
806N29.1Very low33Very low158 Ų158146.4 Ų146.485%0.84581%0.812SS**  trans-138.2152.6178.5-175.68.9000109.6
807R33.9Very low33Very low243 Ų243143.1 Ų143.192%0.91781%0.81SS**  trans-157.5149.3176.2-114.2170.4-165.8-163.31.6116.3
808H29Very low33.4Very low184 Ų184146.4 Ų146.485%0.85282%0.824SS**  trans-87.8164.3-177.9-101-102.9000114.7
809L34.2Very low33.5Very low166 Ų166145.1 Ų145.187%0.86982%0.82SS**  trans163163.7136.1-105.869.5000107.9
810A33Very low33.6Very low94 Ų94142.5 Ų142.578%0.77782%0.821SS**  cis-165.8178.2-34.300000109.2
811S28.3Very low33.7Very low110 Ų110137.3 Ų137.377%0.76981%0.807SS**  trans-83155.9-175.8-176.60000114.2
812D35.2Very low34Very low165 Ų165141.9 Ų141.988%0.88282%0.817SS**  trans-165.2179.3141.3-105.5-21.6000113.5
813Q28.7Very low33.9Very low160 Ų160140.9 Ų140.975%0.74882%0.815SS**  trans-133.6158.8-152.3-176.4-173.4-3.800113.4
814L37.7Very low34Very low140 Ų140141.1 Ų141.173%0.73382%0.821SS**  trans142.7124.3136.5-73.1166.8000117.7
815D34.3Very low34Very low145 Ų145144.8 Ų144.878%0.77583%0.828SS**  trans11.1138.6147-47.8-27.4000124.8
816A38.1Very low33.6Very low101 Ų101146 Ų14684%0.83582%0.822SS**  -172.2158.712100000112.1
817S34.2Very low33.9Very low121 Ų121142.9 Ų142.985%0.84681%0.813SS**  trans-145159.5-174.8-49.20000114.2
818S37.4Very low34Very low132 Ų132136.5 Ų136.592%0.92380%0.803SS**  trans-173154.6148.4-86.60000112.6
819A36.3Very low34.2Very low95 Ų95138.1 Ų138.179%0.78580%0.802SS**  trans-153.3168.2-178.200000112.2
820T34.9Very low34.2Very low148 Ų148138.9 Ų138.991%0.90880%0.801SS**  trans-163.7158.7158.94.10000111.4
821S34.8Very low34.1Very low89 Ų89137.3 Ų137.362%0.62279%0.794SS**  trans-138167.6-17458.70000111.4
822F37.6Very low34.3Very low208 Ų208142.9 Ų142.991%0.91281%0.805SS**  trans-160.8158.3146.8-82.4-56.4000110.3
823C31.3Very low34.1Very low108 Ų108140.5 Ų140.573%0.7380%0.801SS**  trans-145.3172.5-164.2-61.30000113.6
824L34.7Very low34.4Very low173 Ų173142.1 Ų142.191%0.90681%0.806SS**  trans79.3122162.4-49.7178.9000118.7
825D32Very low34.4Very low168 Ų168140.9 Ų140.990%0.89881%0.806SS**  -152.1178.9105.2-155.1-3.2000109.5
826E31.1Very low34.4Very low157 Ų157139.6 Ų139.673%0.73481%0.806SS**  trans-128-176.2-148.9-147-144.478.700116.6
827S35.8Very low34.3Very low93 Ų93141.5 Ų141.565%0.6581%0.807SS**  trans84153.5155.2-85.50000119.5
828P36Very low34.3Very low109 Ų109141.1 Ų141.171%0.70880%0.803SS**  -141.6178.9-128.236.5-15000117.6
829R32.6Very low34.2Very low218 Ų218143.3 Ų143.382%0.82380%0.803SS**  150.7159.6127.9-81.5-179.3170.8-142-1.9114.6
830E33.7Very low34.1Very low182 Ų182144.9 Ų144.985%0.8580%0.799SS**  trans63.6126.7165.4-33.6-160.7163.200117.4
831G30.3Very low34Very low62 Ų62143.2 Ų143.264%0.63978%0.784SS**  cis143.1110-14.100000114.1
832F33.7Very low33.9Very low227 Ų227145 Ų145100%0.99679%0.787SS**  trans-161.2144.9155.1-93.7-65.2000109.5
833S30.1Very low33.9Very low114 Ų114142.4 Ų142.480%0.79779%0.787SS**  trans-127151.5-176.9-168.90000111.9
834F35.6Very low33.8Very low194 Ų194145.2 Ų145.285%0.85179%0.79SS**PPolyproline II helixtrans-76.1144.1177.6-66.4-90.3000111.9P836F834-P836 WeakPolarHBondContact O-CD 3.49Å
835P37.1Very low33.9Very low114 Ų114143.6 Ų143.674%0.7479%0.787SS**PPolyproline II helixtrans-89.3120.9171.632.9-30.6000111.9
836P35.2Very low34Very low119 Ų119142.5 Ų142.577%0.77378%0.781SS**PPolyproline II helixtrans-84.1118162.832.1-29.7000110F834F834-P836 WeakPolarHBondContact O-CD 3.49Å
837V36Very low34.1Very low141 Ų141140.7 Ų140.786%0.85578%0.783SS**  trans-93.993.5164.2-82.60000108.2
838C33.5Very low34Very low113 Ų113147.4 Ų147.476%0.76479%0.794SS**  75101.477.4-170.50000111.1
839L34.8Very low33.8Very low177 Ų177149.9 Ų149.993%0.92780%0.796SS**  trans-109.8127.9173.9-163.383.8000108.1
840D34.4Very low33.7Very low129 Ų129146.4 Ų146.469%0.6979%0.794SS**  trans-152.1143.4-175.9-148.337.2000107.7
841N33.4Very low33.6Very low112 Ų112146 Ų14660%0.59979%0.789SS**  cis-148.7163.18.1-153.9-47.9000111
842N33.4Very low33.5Very low127 Ų127150.5 Ų150.568%0.67980%0.798SS**  trans-7.4133.1173.1-80.7-68.8000122.1
843V37.3Very low33.4Very low153 Ų153147.5 Ų147.593%0.92779%0.791SS**  -134.6143.7117.41790000108.6
844Q29.7Very low33.3Very low168 Ų168146.5 Ų146.579%0.78579%0.789SS**  trans-115.4122.3-163.2171.9-165.71200112.6
845V36.7Very low33.3Very low139 Ų139146.4 Ų146.484%0.84279%0.791SS**  trans-146.7127.6155.4-178.60000111.2
846D33.5Very low32.9Very low144 Ų144146.9 Ų146.977%0.7779%0.788SS**  trans10.2132160.1-129.8-25.8000122.9
847P34Very low33.1Very low119 Ų119148 Ų14877%0.77379%0.792SS**  trans-10893.617037.5-27.4000113.9
848R32.9Very low32.8Very low235 Ų235147.3 Ų147.389%0.88778%0.784SS**  trans-164.9128.3160.2-113.4170-168.3-166.32.8112.7
849E32.7Very low32.8Very low160 Ų160148 Ų14875%0.74878%0.784SS**  trans-178.8131.6140.1-100-68.286.700107.1F851E849-F851 VanDerWaalsContact OE2-CD2 3.27Å; E849-F851 WeakPolarHBondContact OE2-CD2 3.36Å; E849-F851 WeakPolarHBondContact OE2-CE2 3.41Å
850N28.8Very low32.8Very low145 Ų145147.2 Ų147.278%0.77578%0.781SS**  trans-134.288.8-172.317983.9000110.3
851F33.5Very low32.9Very low174 Ų174149 Ų14976%0.76379%0.786SS**  trans-120.6116.9178.7-86.7-78.7000112.6E849E849-F851 VanDerWaalsContact OE2-CD2 3.27Å; E849-F851 WeakPolarHBondContact OE2-CD2 3.36Å; E849-F851 WeakPolarHBondContact OE2-CE2 3.41Å
852L27.7Very low33.1Very low157 Ų157148.2 Ų148.282%0.82279%0.788SS**  trans-75.2138.5161.6-65.3163.7000108.7
853I32Very low33Very low164 Ų164148.9 Ų148.984%0.84179%0.791SS**  trans-126.2117.2148.8-60.8-178.8000106.5
854A27Very low32.6Very low93 Ų93145.8 Ų145.877%0.76978%0.782SS**  trans-120.1129.3166.400000107.1
855E35.1Very low32.7Very low191 Ų191145.2 Ų145.289%0.89378%0.784SS**  trans-122.3138.3157.5-74.3-159.9118.300108.3
856N29.8Very low32.4Very low124 Ų124145.9 Ų145.966%0.66378%0.782SS**  trans-110.8134.1-176176.557.9000109.8D858N856-D858 PolarHBondContact ND2-OD2 3.32Å
857V39.1Very low32.3Very low142 Ų142145.3 Ų145.386%0.86179%0.789SS**  trans-142.2100.2163.4-92.60000109.1
858D30.5Very low32Very low128 Ų128151.3 Ų151.368%0.68480%0.796SS**  trans-57.8146.5167.3-60.1-98.4000111.6N856N856-D858 PolarHBondContact ND2-OD2 3.32Å
859T32.7Very low31.9Very low126 Ų126143.2 Ų143.277%0.77379%0.785SS**  trans-177.7108.6130.8-76.20000111.5
860L34.3Very low31.7Very low162 Ų162144.1 Ų144.185%0.84879%0.792SS**  trans46.4110.3141.9-57.2176.2000121
861M36.3Very low31.8Very low165 Ų165142.4 Ų142.481%0.81379%0.791SS**  trans-49.2160.7135.8-99.6-126.410500111.6
862P38Very low31.7Very low97 Ų97139.3 Ų139.363%0.6379%0.791SS**  -157.7-17157.146.2-24.8000118.9
863D31.6Very low32Very low140 Ų140135.6 Ų135.675%0.74979%0.791SS**  trans70.7126.2147-64.2-26.4000122.3
864A28.8Very low32.1Very low89 Ų89137.1 Ų137.174%0.73679%0.791SS**  trans-87146.6146.900000109.5
865L31.2Very low32.5Very low156 Ų156136.5 Ų136.582%0.81779%0.794SS**  trans176.7130.4134-94.4167.9000111.1
866L30.1Very low32.5Very low153 Ų153134.7 Ų134.780%0.80179%0.789SS**  trans46.6127.5148.3-57.5172.3000121.2
867S31.2Very low32.6Very low132 Ų132133.9 Ų133.992%0.92379%0.792SS**  trans-149144.7134.3-89.30000112.5
868R29Very low32.2Very low245 Ų245134.3 Ų134.393%0.92579%0.789SS**  trans-138.9109.6-170179.8-170.9-172.4-167.64.9108.8
869G30.4Very low32.2Very low64 Ų64135.9 Ų135.966%0.6680%0.797SS**  trans-162114.1178.900000110
870M29.7Very low32.4Very low179 Ų179135.4 Ų135.488%0.88280%0.796SS**  40.8129.667.848.1171.867.400115.4
871S30.2Very low32.1Very low109 Ų109132.9 Ų132.976%0.76279%0.792SS**  cis-169.5160.60.253.80000115.7
872S31.4Very low32Very low110 Ų110128.7 Ų128.777%0.76979%0.791SS**  trans76.7127.2143.9-160.10000120.5
873G33.1Very low31.6Very low79 Ų79131.2 Ų131.281%0.81479%0.794SS**  trans-158.925.2179.600000116.6
874K35.5Very low31.5Very low195 Ų195134 Ų13485%0.84879%0.794SS**  trans24.1109.4169.1-65.2-179.9179.9176.70119.9
875G35.2Very low31.7Very low80 Ų80136.5 Ų136.583%0.82580%0.795SS**  trans-138.8142.9150.200000109.4
876I33.8Very low31.6Very low154 Ų154137.5 Ų137.579%0.7980%0.795SS**  trans-123.5137.7-170.7-30.4172.9000106.4
877C32Very low31.5Very low106 Ų106140.4 Ų140.472%0.71680%0.796SS**  -15715357.8-65.40000115.7
878N32Very low31.5Very low152 Ų152140.4 Ų140.481%0.81379%0.786SS**  trans68.897.7145.7-58.20.7000121.9
879L30.7Very low31.5Very low160 Ų160135.7 Ų135.784%0.83878%0.783SS**  trans-66.8-174145.7-99.873.5000111.4
880P35.5Very low31.5Very low116 Ų116141.4 Ų141.475%0.75379%0.793SS**  cis-131.8-176.69.416.511.9000114.7
881S29.4Very low31.4Very low110 Ų110139 Ų13977%0.76978%0.784SS**  cis-169.8143.9-19.850.10000112
882G32.4Very low31.5Very low77 Ų77141.6 Ų141.679%0.79478%0.784SS**  trans110.5154.1151.500000117.3
883Q30.2Very low31.6Very low150 Ų150143 Ų14370%0.70178%0.782SS**  cis-165.3116-17.8-179.1178.916.400111.3
884R30.9Very low31.4Very low197 Ų197143.9 Ų143.974%0.74378%0.776SS**  trans64158169.5-66.5-178.6-69.8-168.3-2115.6
885D31.2Very low31.1Very low142 Ų142140.3 Ų140.376%0.75978%0.775SS**  cis-149.8160.2-19.8-111.9-38.9000109.4
886H30Very low30.7Very low177 Ų177140.6 Ų140.682%0.81977%0.77SS**  trans-78.8137164.2-89.1-95.5000110
887R28.7Very low30.6Very low215 Ų215136.8 Ų136.881%0.81176%0.762SS**  176150.5114.5-101.8-175.9-112.9-155.1-4.3118.4
888D30.9Very low30.6Very low132 Ų132137.4 Ų137.471%0.70675%0.752SS**  trans65.6162139.7-55-19.6000122.5
889V29.4Very low30.5Very low145 Ų145132.9 Ų132.988%0.87973%0.733SS**  trans-136.499-162.2177.10000110.6
890E29.8Very low30.4Very low184 Ų184128.7 Ų128.786%0.8672%0.717SS**  trans-137126.2169.5-71.7178.2125.600107.8
891N28.1Very low30.3Very low130 Ų130127.8 Ų127.870%0.69570%0.702SS**  82.948.955.2-161101.3000113.6
892E31.7Very low30.3Very low163 Ų163127.7 Ų127.776%0.76270%0.702SS**  trans-95.299.1174.4-89.7-62.3110.800114.1
893L33.6Very low30.3Very low139 Ų139129.3 Ų129.373%0.72869%0.687SS**  trans27.5144.4137.2-58.5176.6000122.9S895L893-S895 PolarHBondContact O-N 3.28Å
894S28.4Very low30.3Very low98 Ų98126.1 Ų126.169%0.68570%0.695SS**  trans-72.6122.5178.9-66.40000114
895S29.7Very low30.5Very low119 Ų119122.8 Ų122.883%0.83270%0.696SS**  trans-106.9120.3160.5-870000111.6L893L893-S895 PolarHBondContact O-N 3.28Å
896A27Very low30.7Very low87 Ų87121.1 Ų121.172%0.71969%0.693SS**  trans-89.3124.9-179.200000112.5
897A31.1Very low30.6Very low74 Ų74118.7 Ų118.761%0.61269%0.686SS**  trans-136.5137.3162.600000108.6
898F31.9Very low30.9Very low119 Ų119116.7 Ų116.752%0.52269%0.688SS.*  trans-75143-176.8-58.3-90.5000109.9R939F898-R939 VanDerWaalsContact CE2-NH1 3.34Å
899S29.2Very low30.8Very low57 Ų57114.7 Ų114.740%0.39968%0.684SS.*  trans-103.5129.8165.4176.90000107.1R309R309-S899 WeakPolarHBondContact CD-OG 3.31Å; R309-S899 PolarHBondContact NE-O 3.33Å; R309-S899 PolarHBondContact NH1-OG 2.95Å; R309-S899 PolarHBondContact NH2-O 3.34Å; R309-S899 VanDerWaalsContact NH2-O 3.09Å
900S30.4Very low31Very low72 Ų72116.8 Ų116.850%0.50368%0.682SS.*  trans-112.9134.5171.6-62.40000108.2
901Q32.8Very low31.2Very low97 Ų97117.8 Ų117.845%0.45368%0.683SS.*  trans-116.2113168.9-97169-9.700105.9R309R309-Q901 VanDerWaalsContact NH1-CG 3.28Å; R309-Q901 VanDerWaalsContact NH1-N 3.17Å
902S29.5Very low31.5Very low108 Ų108118 Ų11876%0.75569%0.692SS**  trans-83.7127.8157.7-168.60000106.9
903F31.6Very low31.6Very low110 Ų110113.6 Ų113.648%0.48269%0.69SS.*  trans-73.7140.5174.6-79.8-92.2000109.9A343 V905A343-F903 HydrophobicContact CB-CD1 4.27Å; A343-F903 HydrophobicContact CB-CE1 3.5Å; A343-F903 HydrophobicContact CB-CE2 4.07Å; A343-F903 HydrophobicContact CB-CZ 3.39Å; F903-V905 PolarHBondContact O-N 3.4Å; F903-V905 VanDerWaalsContact O-N 3.09Å
904G30.6Very low31.5Very low84 Ų84113 Ų11387%0.86670%0.696SS**  trans-66.9106170.400000110.3
905V34.6Very low31.9Very low126 Ų126113.6 Ų113.676%0.76470%0.7SS**  trans-101.6129.4169.3-177.70000107.7F903F903-V905 PolarHBondContact O-N 3.4Å; F903-V905 VanDerWaalsContact O-N 3.09Å
906P35.4Very low32.2Very low108 Ų108112.2 Ų112.270%0.70169%0.691SS**  trans-69.8152.5-176.127.7-34.8000113.4
907D28.9Very low32.7Very low125 Ų125114.5 Ų114.567%0.66869%0.691SS**  trans-31.3122.1179.9178.316.6000116.1S909D907-S909 WeakPolarHBondContact OD1-CB 3.39Å; D907-S909 PolarHBondContact OD1-N 3.47Å; D907-S909 VanDerWaalsContact OD1-N 3.13Å; D907-S909 PolarHBondContact OD1-OG 3.14Å
908M33.7Very low33.1Very low174 Ų174117.1 Ų117.186%0.85770%0.699SS**  trans-138.780.5163.2-70.8-68159.200109
909S29.5Very low33.2Very low90 Ų90116 Ų11663%0.62971%0.711SS**  trans-83.6114.5-170.6290000114.1D907D907-S909 WeakPolarHBondContact OD1-CB 3.39Å; D907-S909 PolarHBondContact OD1-N 3.47Å; D907-S909 VanDerWaalsContact OD1-N 3.13Å; D907-S909 PolarHBondContact OD1-OG 3.14Å
910F33.1Very low33.7Very low188 Ų188120.3 Ų120.383%0.82574%0.735SS**  trans-135.2142.5169.7-86.1-80.5000113.3
911K35.2Very low33.9Very low205 Ų205121.6 Ų121.689%0.89175%0.75SS**  trans-90.8149.2-177.9-66176.3179.7175.20111.4
912P33Very low34.2Very low135 Ų135125.3 Ų125.388%0.87777%0.773SS**  trans-85.5151.2-174.233.9-36.4000114.3
913G34.7Very low34.5Very low70 Ų70123 Ų12372%0.72277%0.766SS**  trans171.5132165.700000114.6
914C32.2Very low34.6Very low126 Ų126121.2 Ų121.285%0.85178%0.779SS**  trans61.6115.4-179.9-140.10000114.9
915S36.4Very low35Very low111 Ų111126.1 Ų126.178%0.77678%0.781SS**  cis81.2150.443.6-151.20000114.4
916S35.6Very low35.1Very low91 Ų91124.4 Ų124.464%0.63678%0.78SS**  trans-64.1176-152.362.30000116.4
917D37.1Very low34.8Very low135 Ų135125 Ų12572%0.72279%0.788SS**  cis-168.7170.238.8-131.8-47.1000117.2
918V40.3Very low35Very low129 Ų129128 Ų12878%0.78280%0.797SS**  trans64.9143.4161.5178.50000120
919A34.1Very low35Very low94 Ų94123 Ų12378%0.77779%0.791SS**  trans-135.9158.9176.100000112.8
920V39.2Very low35Very low148 Ų148126.5 Ų126.590%0.89780%0.801SS**  trans-142.8150.2168.1-177.80000108.2
921A34.9Very low34.9Very low100 Ų100129 Ų12983%0.82681%0.805SS**  trans-136.9152-164.500000115.9
922D37.6Very low34.7Very low175 Ų175126.4 Ų126.494%0.93680%0.801SS**  trans-167.1151.6148-166.856.3000107
923G36.2Very low34.4Very low59 Ų59126.1 Ų126.161%0.60880%0.803SS**  cis177.6178.3-4.500000112
924G34.8Very low34.2Very low72 Ų72131.1 Ų131.174%0.74281%0.807SS**  trans90.3106.8161.400000119.1
925M38.4Very low34.3Very low187 Ų187131 Ų13192%0.92180%0.803SS**  trans23.9136.1147.8-85.758.1-176.400121.4
926A35.9Very low34.1Very low90 Ų90134.3 Ų134.374%0.74481%0.806SS**  cis-161.4160.43.400000113.3
927S30.2Very low34Very low122 Ų122140.7 Ų140.785%0.85382%0.816SS**  trans62.356.7161.4-165.60000118.3
928Q33.6Very low34.1Very low187 Ų187140.2 Ų140.287%0.87481%0.811SS**  trans-115.6133.7148.9-75.2-171.2-11.700110.1
929G33.3Very low34.5Very low69 Ų69141.1 Ų141.171%0.71180%0.8SS**  trans-78.7120.8177.500000111.2W931G929-W931 PolarHBondContact O-N 3.11Å
930L30.2Very low35.8Very low163 Ų163139 Ų13985%0.85378%0.778SS**  trans-73.1116.3-174.6-71.4160.8000112.4
931W30.9Very low38Very low241 Ų241137.3 Ų137.391%0.91376%0.759SS**  trans-126.2117.6162.2-59.951000106.1G929G929-W931 PolarHBondContact O-N 3.11Å
932N30Very low40.7Very low151 Ų151133 Ų13381%0.80772%0.722SS**  trans-65.8150.1-173.9-72.3-14000112Q934N932-Q934 PolarHBondContact O-N 3.37Å
933S27.2Very low43.4Very low129 Ų129129.5 Ų129.590%0.90270%0.698SS**  trans-67.768.8176.4-50.20000112.7T935S933-T935 PolarHBondContact O-N 3.21Å
934Q30.2Very low46.2Very low174 Ų174126.7 Ų126.781%0.81367%0.669SS**  trans-72.3114.3165.5-170.5169.917.600107.9N932 Q936N932-Q934 PolarHBondContact O-N 3.37Å; Q934-Q936 PolarHBondContact O-N 3.1Å; Q934-Q936 VanDerWaalsContact O-N 3.1Å
935T34.4Very low49Very low125 Ų125128 Ų12877%0.76766%0.657SS**  trans-47.4118.9172.251.30000109.2S933 R937S933-T935 PolarHBondContact O-N 3.21Å; T935-R937 PolarHBondContact O-N 3.47Å
936Q31.7Very low51.4Low180 Ų180120.5 Ų120.584%0.84162%0.619SS**  trans-62.3104.9-178.3-79.6-148.80.200109.6Q934 M938Q934-Q936 PolarHBondContact O-N 3.1Å; Q934-Q936 VanDerWaalsContact O-N 3.1Å; Q936-M938 VanDerWaalsContact C-N 3.33Å; Q936-M938 PolarHBondContact O-N 3.48Å
937R33.5Very low53.8Low225 Ų225122.6 Ų122.685%0.84961%0.607SS**  trans-75.989.6-178.7-160.5-179.2-156.2168.88.5107.3T935T935-R937 PolarHBondContact O-N 3.47Å
938M39.6Very low56.4Low124 Ų124120.8 Ų120.861%0.61161%0.608SS**  trans-50.9146.9179.7-67-162.381.200110.6Q936 T940Q936-M938 VanDerWaalsContact C-N 3.33Å; Q936-M938 PolarHBondContact O-N 3.48Å; M938-T940 PolarHBondContact O-N 3.15Å
939R49.3Very low58.9Low149 Ų149114.2 Ų114.256%0.56258%0.582SS**  trans-80.369.6-172.3-166.6-178.8-174.5162.44.4111.1F898 F941F898-R939 VanDerWaalsContact CE2-NH1 3.34Å; R939-F941 HydrophobicContact CG-CD2 4.39Å; R939-F941 PolarHBondContact O-N 3.31Å
940T60.9Low61.4Low50 Ų50116.6 Ų116.631%0.30758%0.583SS.*  trans-6921.7-17652.20000115.4M938 T942 D955 I956 T957M938-T940 PolarHBondContact O-N 3.15Å; T940-T942 PolarHBondContact O-N 3.4Å; T940-D955 WeakPolarHBondContact CB-OD1 3.35Å; T940-D955 WeakPolarHBondContact O-CA 3.33Å; T940-D955 PolarHBondContact OG1-OD1 3.5Å; T940-I956 PolarHBondContact O-N 3.39Å; T940-T957 HydrophobicContact CG2-CG2 3.76Å
941F86.1Confident64.2Low112 Ų112110.8 Ų110.849%0.49156%0.562SS.*EExtended strand (participates in β ladder)trans-9096.6-172.8-76.7-75.7000112.9R939 I954 D955R939-F941 HydrophobicContact CG-CD2 4.39Å; R939-F941 PolarHBondContact O-N 3.31Å; F941-I954 CarbonylContact C-O 3.52Å; F941-I954 VanDerWaalsContact CA-O 3.27Å; F941-I954 WeakPolarHBondContact CA-O 3.44Å; F941-D955 HydrophobicContact CD1-CB 4.22Å; F941-D955 HydrophobicContact CE1-CB 3.93Å; F941-D955 HydrophobicContact CZ-CB 4.4Å
942T91Very high67.1Low10 Ų10105.1 Ų105.16%0.06154%0.541CS..EExtended strand (participates in β ladder)trans-72.8127.2172-55.30000110.2T940 S953 I954 V1013 I1016T940-T942 PolarHBondContact O-N 3.4Å; T942-S953 WeakPolarHBondContact O-CA 3.29Å; T942-I954 PolarHBondContact N-O 3.33Å; T942-I954 PolarHBondContact O-N 3.39Å; T942-V1013 HydrophobicContact CG2-CG2 3.83Å; T942-I1016 HydrophobicContact CG2-CD1 3.97Å; T942-I1016 HydrophobicContact CG2-CG1 3.93Å
943K93.7Very high70.1Confident100 Ų100101 Ų10144%0.43552%0.524SS..EExtended strand (participates in β ladder)trans-72.5140.1173.1-70.5-176.5-179.5177.60110.3S1015 I1016K943-S1015 CarbonylContact O-C 3.53Å; K943-S1015 VanDerWaalsContact O-CA 3.31Å; K943-S1015 WeakPolarHBondContact O-CA 3.48Å; K943-S1015 WeakPolarHBondContact O-CB 3.37Å; K943-I1016 PolarHBondContact O-N 3.42Å
944V95.3Very high73.2Confident0 Ų095.1 Ų95.10%048%0.483CS..EExtended strand (participates in β ladder)trans-127.1133.2175.5-165.80000110.2G951 R952 I954 L969 F973 I1016 I1018V944-G951 CarbonylContact O-C 3.4Å; V944-G951 VanDerWaalsContact O-CA 3.29Å; V944-G951 WeakPolarHBondContact O-CA 3.34Å; V944-R952 PolarHBondContact N-O 3.19Å; V944-R952 PolarHBondContact O-N 3.12Å; V944-I954 HydrophobicContact CG2-CD1 3.79Å; V944-I954 HydrophobicContact CG2-CG1 3.77Å; V944-I954 HydrophobicContact CG2-CG2 4.2Å; V944-L969 HydrophobicContact CB-CD2 4.37Å; V944-L969 HydrophobicContact CG1-CD1 4.28Å; V944-L969 HydrophobicContact CG1-CD2 3.84Å; V944-L969 HydrophobicContact CG2-CD2 4.05Å; V944-F973 HydrophobicContact CB-CE2 3.97Å; V944-F973 HydrophobicContact CB-CZ 4.06Å; V944-F973 HydrophobicContact CG1-CE2 3.55Å; V944-F973 HydrophobicContact CG1-CZ 3.88Å; V944-I1016 CarbonylContact C-O 3.58Å; V944-I1016 VanDerWaalsContact CA-O 3.31Å; V944-I1016 WeakPolarHBondContact CA-O 3.27Å; V944-I1016 HydrophobicContact CG1-CB 4.09Å; V944-I1016 HydrophobicContact CG1-CG2 4.06Å; V944-I1016 HydrophobicContact CG2-CB 4.29Å; V944-I1018 HydrophobicContact CG1-CD1 4.41Å; V944-I1018 HydrophobicContact CG1-CG1 4.44Å
945Q92.8Very high76.1Confident101 Ų10187.7 Ų87.747%0.47245%0.448SS..EExtended strand (participates in β ladder)trans-131.7147.8-176.9-67-179.9-3000111.8I1016 K1017 I1018Q945-I1016 PolarHBondContact N-O 3.18Å; Q945-K1017 CarbonylContact O-C 3.59Å; Q945-K1017 WeakPolarHBondContact O-CA 3.46Å; Q945-I1018 PolarHBondContact O-N 3.41Å
946K90.5Very high78.8Confident28 Ų2882.1 Ų82.112%0.12241%0.414CS..EExtended strand (participates in β ladder)trans-143.5133.6172.4179.5-177.8170.6-65.10107.6S949 F973 I975 W987 I1018K946-S949 PolarHBondContact NZ-OG 2.99Å; K946-S949 PolarHBondContact O-N 2.97Å; K946-S949 VanDerWaalsContact O-N 3.1Å; K946-F973 HydrophobicContact CB-CD1 3.65Å; K946-F973 HydrophobicContact CB-CE1 3.86Å; K946-F973 HydrophobicContact CB-CG 4.37Å; K946-F973 HydrophobicContact CD-CB 3.91Å; K946-F973 HydrophobicContact CD-CD1 4.01Å; K946-F973 HydrophobicContact CD-CG 4.24Å; K946-F973 HydrophobicContact CG-CD1 4.47Å; K946-I975 HydrophobicContact CD-CD1 4.45Å; K946-W987 HydrophobicContact CD-CZ3 4.39Å; K946-W987 VanDerWaalsContact CE-CH2 3.42Å; K946-W987 HydrophobicContact CG-CZ3 4.23Å; K946-I1018 HydrophobicContact CB-CB 3.97Å; K946-I1018 HydrophobicContact CB-CD1 4.39Å; K946-I1018 HydrophobicContact CD-CB 4.41Å; K946-I1018 HydrophobicContact CD-CG2 4.26Å; K946-I1018 HydrophobicContact CG-CB 4.06Å; K946-I1018 HydrophobicContact CG-CG2 4.28Å
947R85.3Confident81.4Confident135 Ų13577.7 Ų77.751%0.50940%0.399SS..THydrogen-bonded Turntrans-62.6138.7-179.2-171.1173.2-177.6176.31.9110.4S949 E1023R947-S949 VanDerWaalsContact C-N 3.28Å; R947-S949 PolarHBondContact O-N 3.46Å; R947-E1023 WeakPolarHBondContact CB-OE1 3.31Å; R947-E1023 WeakPolarHBondContact CD-OE1 3.37Å
948G84.2Confident84Confident84 Ų8475 Ų7587%0.86639%0.389SS*.THydrogen-bonded Turntrans69.118-172.800000114.8
949S87Confident86.5Confident48 Ų4870.4 Ų70.434%0.33637%0.365SS..EExtended strand (participates in β ladder)trans-141.5148.6-179.5-53.80000111.8K946 R947 G951K946-S949 PolarHBondContact NZ-OG 2.99Å; K946-S949 PolarHBondContact O-N 2.97Å; K946-S949 VanDerWaalsContact O-N 3.1Å; R947-S949 VanDerWaalsContact C-N 3.28Å; R947-S949 PolarHBondContact O-N 3.46Å; S949-G951 PolarHBondContact O-N 3.14Å
950V86.1Confident88.5Confident119 Ų11973.8 Ų73.872%0.72138%0.378SS*.EExtended strand (participates in β ladder)trans-67.8123.9179.9-179.50000109.9
951G89.7Confident90Very high41 Ų4172.2 Ų72.242%0.42337%0.372SS..EExtended strand (participates in β ladder)trans-60.4144.5178.300000112.6V944 S949V944-G951 CarbonylContact O-C 3.4Å; V944-G951 VanDerWaalsContact O-CA 3.29Å; V944-G951 WeakPolarHBondContact O-CA 3.34Å; S949-G951 PolarHBondContact O-N 3.14Å
952R91.3Very high90.3Very high122 Ų12268.2 Ų68.246%0.4635%0.354SS..EExtended strand (participates in β ladder)trans-114.7174.4-178.3-56.8-63.3-168.5150.28.9110.5V944 M972 F973V944-R952 PolarHBondContact N-O 3.19Å; V944-R952 PolarHBondContact O-N 3.12Å; R952-M972 HydrophobicContact CB-CE 3.83Å; R952-M972 HydrophobicContact CG-CE 3.97Å; R952-F973 HydrophobicContact CB-CE2 4.22Å; R952-F973 HydrophobicContact CB-CZ 3.93Å; R952-F973 HydrophobicContact CG-CE1 4.11Å; R952-F973 HydrophobicContact CG-CE2 3.89Å; R952-F973 HydrophobicContact CG-CZ 3.53Å
953S92.2Very high90.3Very high66 Ų6672.9 Ų72.946%0.46238%0.375SS..EExtended strand (participates in β ladder)trans-140.5124.8169.6-63.30000109T942T942-S953 WeakPolarHBondContact O-CA 3.29Å
954I92.6Very high90.2Very high5 Ų571.8 Ų71.83%0.02637%0.374CS..EExtended strand (participates in β ladder)trans-115.7146.2-174.763.2174.6000110.2F941 T942 V944 I956 Y959 L965 L969 M972 I1016F941-I954 CarbonylContact C-O 3.52Å; F941-I954 VanDerWaalsContact CA-O 3.27Å; F941-I954 WeakPolarHBondContact CA-O 3.44Å; T942-I954 PolarHBondContact N-O 3.33Å; T942-I954 PolarHBondContact O-N 3.39Å; V944-I954 HydrophobicContact CG2-CD1 3.79Å; V944-I954 HydrophobicContact CG2-CG1 3.77Å; V944-I954 HydrophobicContact CG2-CG2 4.2Å; I954-I956 PolarHBondContact O-N 3.33Å; I954-Y959 HydrophobicContact CB-CE2 4.3Å; I954-Y959 HydrophobicContact CD1-CE2 3.89Å; I954-Y959 HydrophobicContact CG1-CE2 4.42Å; I954-L965 HydrophobicContact CD1-CD1 3.45Å; I954-L965 VanDerWaalsContact CD1-CD1 3.45Å; I954-L969 HydrophobicContact CD1-CD2 4.16Å; I954-L969 HydrophobicContact CG2-CD2 4.44Å; I954-M972 HydrophobicContact CG2-CE 3.89Å; I954-M972 HydrophobicContact CG2-SD 3.52Å; I954-M972 VanDerWaalsContact CG2-SD 3.52Å; I954-I1016 HydrophobicContact CD1-CD1 4.26Å
955D90.9Very high90.1Very high18 Ų1871.8 Ų71.810%0.09637%0.374CS..EExtended strand (participates in β ladder)trans-88.796.7173171.312.1000107.7T940 F941 T957 R958T940-D955 WeakPolarHBondContact CB-OD1 3.35Å; T940-D955 WeakPolarHBondContact O-CA 3.33Å; T940-D955 PolarHBondContact OG1-OD1 3.5Å; F941-D955 HydrophobicContact CD1-CB 4.22Å; F941-D955 HydrophobicContact CE1-CB 3.93Å; F941-D955 HydrophobicContact CZ-CB 4.4Å; D955-T957 PolarHBondContact O-N 3.44Å; D955-T957 VanDerWaalsContact O-N 3.09Å; D955-T957 PolarHBondContact OD1-OG1 3.5Å; D955-R958 HydrophobicContact CB-CG 4.19Å; D955-R958 WeakPolarHBondContact O-CB 3.42Å; D955-R958 WeakPolarHBondContact O-CG 3.45Å; D955-R958 PolarHBondContact O-N 3.5Å; D955-R958 VanDerWaalsContact O-N 3.16Å; D955-R958 IonicContact OD2-CZ 2.77Å; D955-R958 IonicContact OD2-NE 3.64Å; D955-R958 PolarHBondContact OD2-NE 2.95Å; D955-R958 IonicContact OD2-NH2 2.85Å; D955-R958 PolarHBondContact OD2-NH2 3.26Å; D955-R958 VanDerWaalsContact OD2-NH2 3.16Å
956I90.6Very high90.1Very high7 Ų768.4 Ų68.44%0.03636%0.357CS..G310 helixtrans-67.8-16.6-165.1-151.6173.6000113.3T940 I954 R958 Y959 L965 W1006 F1009 V1010 V1013 I1016T940-I956 PolarHBondContact O-N 3.39Å; I954-I956 PolarHBondContact O-N 3.33Å; I956-R958 PolarHBondContact O-N 3.26Å; I956-R958 VanDerWaalsContact O-N 3.11Å; I956-Y959 HydrophobicContact CG1-CD2 4.16Å; I956-Y959 WeakPolarHBondContact O-CD2 3.4Å; I956-Y959 PolarHBondContact O-N 3.38Å; I956-L965 HydrophobicContact CD1-CD2 4.42Å; I956-W1006 HydrophobicContact CG1-CH2 4.46Å; I956-F1009 HydrophobicContact CD1-CD1 4.4Å; I956-F1009 HydrophobicContact CD1-CE1 3.48Å; I956-F1009 VanDerWaalsContact CD1-CE1 3.48Å; I956-F1009 HydrophobicContact CD1-CZ 3.68Å; I956-V1010 HydrophobicContact CG2-CG1 4.27Å; I956-V1013 HydrophobicContact CD1-CG1 3.75Å; I956-I1016 HydrophobicContact CD1-CD1 4.27Å
957T86.3Confident90.1Very high88 Ų8872 Ų7254%0.5437%0.374SS..G310 helixtrans-69.4-3.1175.869.80000114.3T940 D955T940-T957 HydrophobicContact CG2-CG2 3.76Å; D955-T957 PolarHBondContact O-N 3.44Å; D955-T957 VanDerWaalsContact O-N 3.09Å; D955-T957 PolarHBondContact OD1-OG1 3.5Å
958R89.4Confident90.5Very high167 Ų16768.3 Ų68.363%0.6336%0.364SS*.G310 helixtrans-86.3-24.5179.4-65-177.1-175.6-161.15.6114.6D955 I956D955-R958 HydrophobicContact CB-CG 4.19Å; D955-R958 WeakPolarHBondContact O-CB 3.42Å; D955-R958 WeakPolarHBondContact O-CG 3.45Å; D955-R958 PolarHBondContact O-N 3.5Å; D955-R958 VanDerWaalsContact O-N 3.16Å; D955-R958 IonicContact OD2-CZ 2.77Å; D955-R958 IonicContact OD2-NE 3.64Å; D955-R958 PolarHBondContact OD2-NE 2.95Å; D955-R958 IonicContact OD2-NH2 2.85Å; D955-R958 PolarHBondContact OD2-NH2 3.26Å; D955-R958 VanDerWaalsContact OD2-NH2 3.16Å; I956-R958 PolarHBondContact O-N 3.26Å; I956-R958 VanDerWaalsContact O-N 3.11Å
959Y92.5Very high90.9Very high29 Ų2964.3 Ų64.311%0.11432%0.323CS..  trans-88.7147.5-177.7-49.1-78.1000109.5I954 I956 D964 L965 D968 W1006I954-Y959 HydrophobicContact CB-CE2 4.3Å; I954-Y959 HydrophobicContact CD1-CE2 3.89Å; I954-Y959 HydrophobicContact CG1-CE2 4.42Å; I956-Y959 HydrophobicContact CG1-CD2 4.16Å; I956-Y959 WeakPolarHBondContact O-CD2 3.4Å; I956-Y959 PolarHBondContact O-N 3.38Å; Y959-D964 HydrophobicContact CD1-CB 4.03Å; Y959-L965 HydrophobicContact CD1-CB 4.37Å; Y959-L965 HydrophobicContact CD2-CD1 3.9Å; Y959-L965 HydrophobicContact CE2-CD1 3.89Å; Y959-L965 HydrophobicContact CG-CB 4.15Å; Y959-L965 HydrophobicContact CG-CD1 4.26Å; Y959-D968 HydrophobicContact CE1-CB 3.63Å; Y959-D968 VanDerWaalsContact CE1-OD2 3.26Å; Y959-D968 WeakPolarHBondContact CE1-OD2 3.39Å; Y959-D968 PolarHBondContact OH-OD2 3.36Å; Y959-W1006 WeakPolarHBondContact O-CZ2 3.39Å
960R90.1Very high91.1Very high219 Ų21962 Ų6283%0.82631%0.307SS*.SBendtrans-97.3-7.8178.8-54-164.1-179.2-70.5-1.8113.8D964R960-D964 VanDerWaalsContact CB-OD2 3.3Å; R960-D964 WeakPolarHBondContact CB-OD2 3.29Å; R960-D964 PolarHBondContact N-OD2 3.21Å
961G91.8Very high91.3Very high18 Ų1858.5 Ų58.519%0.18629%0.287CS..SBendtrans-179.9177.7-177.500000111.3E963 D964 L965 W1006G961-E963 PolarHBondContact O-N 3.45Å; G961-D964 PolarHBondContact O-N 3.5Å; G961-L965 PolarHBondContact O-N 3.02Å; G961-W1006 VanDerWaalsContact C-CZ3 3.45Å
962Y93.5Very high91.3Very high28 Ų2859.1 Ų59.111%0.1128%0.279CS..Hα-helixtrans-61.2-28.9-178.7-67.5-63.7000114.2L965 R966 V1001 D1004 W1006 F1009Y962-L965 PolarHBondContact O-N 2.75Å; Y962-R966 WeakPolarHBondContact O-CB 3.3Å; Y962-R966 VanDerWaalsContact O-CG 3.25Å; Y962-R966 WeakPolarHBondContact O-CG 3.34Å; Y962-R966 PolarHBondContact O-N 3.3Å; Y962-V1001 HydrophobicContact CD1-CG1 3.56Å; Y962-V1001 HydrophobicContact CE1-CG1 3.64Å; Y962-D1004 VanDerWaalsContact CE2-O 3.32Å; Y962-D1004 WeakPolarHBondContact CE2-O 3.45Å; Y962-D1004 PolarHBondContact OH-O 3.14Å; Y962-W1006 AromaticContact CD1-CE3 3.65Å; Y962-W1006 HydrophobicContact CD1-CE3 3.65Å; Y962-W1006 AromaticContact CD1-CZ3 3.71Å; Y962-W1006 HydrophobicContact CD1-CZ3 3.71Å; Y962-W1006 HydrophobicContact CD2-CE3 4.25Å; Y962-W1006 AromaticContact CE1-CE3 3.79Å; Y962-W1006 HydrophobicContact CE1-CE3 3.79Å; Y962-W1006 HydrophobicContact CE1-CZ3 4.07Å; Y962-W1006 HydrophobicContact CE2-CE3 4.38Å; Y962-W1006 AromaticContact CG-CE3 3.91Å; Y962-W1006 HydrophobicContact CG-CE3 3.91Å; Y962-W1006 HydrophobicContact CG-CZ3 4.23Å; Y962-F1009 HydrophobicContact CD1-CD1 4.31Å; Y962-F1009 HydrophobicContact CD1-CE1 4.33Å; Y962-F1009 HydrophobicContact CE1-CB 4.17Å; Y962-F1009 AromaticContact CE1-CD1 3.47Å; Y962-F1009 HydrophobicContact CE1-CD1 3.47Å; Y962-F1009 VanDerWaalsContact CE1-CD1 3.47Å; Y962-F1009 HydrophobicContact CE1-CD2 4.25Å; Y962-F1009 AromaticContact CE1-CE1 3.82Å; Y962-F1009 HydrophobicContact CE1-CE1 3.82Å; Y962-F1009 AromaticContact CE1-CG 3.69Å; Y962-F1009 HydrophobicContact CE1-CG 3.69Å; Y962-F1009 HydrophobicContact CE1-CZ 4.35Å; Y962-F1009 WeakPolarHBondContact OH-CB 3.4Å
963E89.8Confident91.3Very high108 Ų10854.2 Ų54.251%0.50526%0.262SS..Hα-helixtrans-70.4-46.7-178-55.3-50.110100111.9G961 L965 R966 H967G961-E963 PolarHBondContact O-N 3.45Å; E963-L965 PolarHBondContact O-N 3Å; E963-R966 PolarHBondContact O-N 2.74Å; E963-R966 IonicContact OE1-CZ 3.75Å; E963-R966 IonicContact OE1-NH1 3.33Å; E963-R966 PolarHBondContact OE1-NH1 3.16Å; E963-H967 WeakPolarHBondContact O-CB 3.15Å; E963-H967 PolarHBondContact O-N 3.06Å
964D92.5Very high91.1Very high77 Ų7754.1 Ų54.141%0.41227%0.271SS..Hα-helixtrans-55-43.9172.2-65.7-9.5000110.8Y959 R960 G961 D968Y959-D964 HydrophobicContact CD1-CB 4.03Å; R960-D964 VanDerWaalsContact CB-OD2 3.3Å; R960-D964 WeakPolarHBondContact CB-OD2 3.29Å; R960-D964 PolarHBondContact N-OD2 3.21Å; G961-D964 PolarHBondContact O-N 3.5Å; D964-D968 WeakPolarHBondContact O-CB 3.4Å; D964-D968 PolarHBondContact O-N 2.89Å
965L93.9Very high90.8Very high0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-68.4-46.8-179.5177.364.6000112I954 I956 Y959 G961 Y962 E963 L969 V1001 W1006 F1009 I1016I954-L965 HydrophobicContact CD1-CD1 3.45Å; I954-L965 VanDerWaalsContact CD1-CD1 3.45Å; I956-L965 HydrophobicContact CD1-CD2 4.42Å; Y959-L965 HydrophobicContact CD1-CB 4.37Å; Y959-L965 HydrophobicContact CD2-CD1 3.9Å; Y959-L965 HydrophobicContact CE2-CD1 3.89Å; Y959-L965 HydrophobicContact CG-CB 4.15Å; Y959-L965 HydrophobicContact CG-CD1 4.26Å; G961-L965 PolarHBondContact O-N 3.02Å; Y962-L965 PolarHBondContact O-N 2.75Å; E963-L965 PolarHBondContact O-N 3Å; L965-L969 HydrophobicContact CD1-CD1 3.91Å; L965-L969 HydrophobicContact CD1-CG 3.99Å; L965-L969 HydrophobicContact CG-CD1 4.1Å; L965-L969 HydrophobicContact CG-CG 4.44Å; L965-L969 VanDerWaalsContact O-CB 3.29Å; L965-L969 WeakPolarHBondContact O-CB 3.49Å; L965-L969 WeakPolarHBondContact O-CG 3.24Å; L965-L969 PolarHBondContact O-N 2.68Å; L965-V1001 HydrophobicContact CD2-CG1 4.35Å; L965-W1006 HydrophobicContact CB-CH2 4.15Å; L965-W1006 HydrophobicContact CB-CZ3 4.26Å; L965-W1006 HydrophobicContact CD2-CH2 4.08Å; L965-W1006 HydrophobicContact CD2-CZ3 3.88Å; L965-F1009 HydrophobicContact CD2-CE1 3.62Å; L965-F1009 HydrophobicContact CD2-CZ 3.74Å; L965-I1016 HydrophobicContact CD2-CD1 4.32Å
966R92.3Very high90.2Very high29 Ų2959.2 Ų59.211%0.10929%0.294CS..Hα-helixtrans-61.5-45178.5-77.7170.9-175.1141.6-1.1110.9Y962 E963 L969 A970 L989 V1001Y962-R966 WeakPolarHBondContact O-CB 3.3Å; Y962-R966 VanDerWaalsContact O-CG 3.25Å; Y962-R966 WeakPolarHBondContact O-CG 3.34Å; Y962-R966 PolarHBondContact O-N 3.3Å; E963-R966 PolarHBondContact O-N 2.74Å; E963-R966 IonicContact OE1-CZ 3.75Å; E963-R966 IonicContact OE1-NH1 3.33Å; E963-R966 PolarHBondContact OE1-NH1 3.16Å; R966-L969 PolarHBondContact O-N 3.08Å; R966-A970 VanDerWaalsContact O-CB 3.3Å; R966-A970 WeakPolarHBondContact O-CB 3.46Å; R966-A970 PolarHBondContact O-N 3.39Å; R966-L989 HydrophobicContact CG-CD2 3.92Å; R966-V1001 PolarHBondContact NH2-O 3.39Å
967H90.7Very high89.4Confident105 Ų10561.7 Ų61.749%0.48632%0.322SS..Hα-helixtrans-65-48.4179.1-175.856.4000112.2E963 L969 A970 C971 E980E963-H967 WeakPolarHBondContact O-CB 3.15Å; E963-H967 PolarHBondContact O-N 3.06Å; H967-L969 PolarHBondContact O-N 3.29Å; H967-A970 WeakPolarHBondContact O-CB 3.3Å; H967-A970 PolarHBondContact O-N 3.19Å; H967-C971 PolarHBondContact O-N 2.97Å; H967-C971 PolarHBondContact O-SG 3.4Å; H967-E980 IonicContact CE1-OE1 3.16Å; H967-E980 IonicContact CG-OE1 2.75Å; H967-E980 IonicContact ND1-OE1 3.1Å; H967-E980 PolarHBondContact ND1-OE1 3.32Å
968D92.5Very high88.9Confident56 Ų5662.2 Ų62.230%0.29932%0.318SS..Hα-helixtrans-65.2-38.9178-170.541.6000111.8Y959 D964 A970 C971 M972Y959-D968 HydrophobicContact CE1-CB 3.63Å; Y959-D968 VanDerWaalsContact CE1-OD2 3.26Å; Y959-D968 WeakPolarHBondContact CE1-OD2 3.39Å; Y959-D968 PolarHBondContact OH-OD2 3.36Å; D964-D968 WeakPolarHBondContact O-CB 3.4Å; D964-D968 PolarHBondContact O-N 2.89Å; D968-A970 VanDerWaalsContact C-N 3.34Å; D968-A970 PolarHBondContact O-N 2.92Å; D968-C971 CarbonylContact O-C 3.52Å; D968-C971 WeakPolarHBondContact O-CB 3.39Å; D968-C971 PolarHBondContact O-N 3.02Å; D968-C971 VanDerWaalsContact O-N 3.17Å; D968-M972 WeakPolarHBondContact O-CB 3.49Å; D968-M972 VanDerWaalsContact O-CG 3.27Å; D968-M972 WeakPolarHBondContact O-CG 3.11Å; D968-M972 PolarHBondContact O-N 2.93Å
969L93.5Very high88.4Confident0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-63.8-37.7172.6-71.5-173.6000112.8V944 I954 L965 R966 H967 C971 M972 F973 L979 L989 I1016V944-L969 HydrophobicContact CB-CD2 4.37Å; V944-L969 HydrophobicContact CG1-CD1 4.28Å; V944-L969 HydrophobicContact CG1-CD2 3.84Å; V944-L969 HydrophobicContact CG2-CD2 4.05Å; I954-L969 HydrophobicContact CD1-CD2 4.16Å; I954-L969 HydrophobicContact CG2-CD2 4.44Å; L965-L969 HydrophobicContact CD1-CD1 3.91Å; L965-L969 HydrophobicContact CD1-CG 3.99Å; L965-L969 HydrophobicContact CG-CD1 4.1Å; L965-L969 HydrophobicContact CG-CG 4.44Å; L965-L969 VanDerWaalsContact O-CB 3.29Å; L965-L969 WeakPolarHBondContact O-CB 3.49Å; L965-L969 WeakPolarHBondContact O-CG 3.24Å; L965-L969 PolarHBondContact O-N 2.68Å; R966-L969 PolarHBondContact O-N 3.08Å; H967-L969 PolarHBondContact O-N 3.29Å; L969-C971 VanDerWaalsContact C-N 3.3Å; L969-C971 PolarHBondContact O-N 2.89Å; L969-M972 HydrophobicContact CD2-SD 4.33Å; L969-M972 PolarHBondContact O-N 3.06Å; L969-F973 HydrophobicContact CD2-CD2 4.47Å; L969-F973 HydrophobicContact CD2-CE2 4.22Å; L969-F973 WeakPolarHBondContact O-CD2 3.5Å; L969-F973 PolarHBondContact O-N 3.36Å; L969-F973 VanDerWaalsContact O-N 3.12Å; L969-L979 HydrophobicContact CB-CD2 3.92Å; L969-L989 HydrophobicContact CD1-CD1 3.9Å; L969-L989 HydrophobicContact CD1-CD2 4.12Å; L969-I1016 HydrophobicContact CD1-CG2 4.15Å
970A90.9Very high87.3Confident0 Ų056 Ų560%030%0.298CS..Hα-helixtrans-61.7-40.7173.100000111.3R966 H967 D968 G974 I975 Q976 L979 E980R966-A970 VanDerWaalsContact O-CB 3.3Å; R966-A970 WeakPolarHBondContact O-CB 3.46Å; R966-A970 PolarHBondContact O-N 3.39Å; H967-A970 WeakPolarHBondContact O-CB 3.3Å; H967-A970 PolarHBondContact O-N 3.19Å; D968-A970 VanDerWaalsContact C-N 3.34Å; D968-A970 PolarHBondContact O-N 2.92Å; A970-G974 PolarHBondContact O-N 2.74Å; A970-G974 VanDerWaalsContact O-N 3.12Å; A970-I975 HydrophobicContact CB-CG1 4.43Å; A970-I975 PolarHBondContact O-N 3.11Å; A970-Q976 HydrophobicContact CB-CG 4.43Å; A970-Q976 PolarHBondContact O-N 2.9Å; A970-L979 HydrophobicContact CB-CB 4.01Å; A970-E980 HydrophobicContact CB-CG 4.3Å
971C90.4Very high86.1Confident46 Ų4648.5 Ų48.531%0.31127%0.274SS..Hα-helixtrans-63.6-52172.7-60.30000112.1H967 D968 L969 F973 G974 Q976H967-C971 PolarHBondContact O-N 2.97Å; H967-C971 PolarHBondContact O-SG 3.4Å; D968-C971 CarbonylContact O-C 3.52Å; D968-C971 WeakPolarHBondContact O-CB 3.39Å; D968-C971 PolarHBondContact O-N 3.02Å; D968-C971 VanDerWaalsContact O-N 3.17Å; L969-C971 VanDerWaalsContact C-N 3.3Å; L969-C971 PolarHBondContact O-N 2.89Å; C971-F973 VanDerWaalsContact C-N 3.26Å; C971-F973 PolarHBondContact O-N 2.93Å; C971-G974 PolarHBondContact O-N 3.42Å; C971-Q976 PolarHBondContact SG-NE2 3.17Å
972M90.5Very high84.7Confident53 Ų5350.9 Ų50.926%0.26129%0.286SS..Hα-helixtrans-63.6-26.5-174.6-72.3-173.887.900114.4R952 I954 D968 L969R952-M972 HydrophobicContact CB-CE 3.83Å; R952-M972 HydrophobicContact CG-CE 3.97Å; I954-M972 HydrophobicContact CG2-CE 3.89Å; I954-M972 HydrophobicContact CG2-SD 3.52Å; I954-M972 VanDerWaalsContact CG2-SD 3.52Å; D968-M972 WeakPolarHBondContact O-CB 3.49Å; D968-M972 VanDerWaalsContact O-CG 3.27Å; D968-M972 WeakPolarHBondContact O-CG 3.11Å; D968-M972 PolarHBondContact O-N 2.93Å; L969-M972 HydrophobicContact CD2-SD 4.33Å; L969-M972 PolarHBondContact O-N 3.06Å
973F91.3Very high83.3Confident19 Ų1960.1 Ų60.18%0.08332%0.322CS..Hα-helixtrans-112.35.3-178.1-72.4-84.4000114.5V944 K946 R952 L969 C971 I975 I1018V944-F973 HydrophobicContact CB-CE2 3.97Å; V944-F973 HydrophobicContact CB-CZ 4.06Å; V944-F973 HydrophobicContact CG1-CE2 3.55Å; V944-F973 HydrophobicContact CG1-CZ 3.88Å; K946-F973 HydrophobicContact CB-CD1 3.65Å; K946-F973 HydrophobicContact CB-CE1 3.86Å; K946-F973 HydrophobicContact CB-CG 4.37Å; K946-F973 HydrophobicContact CD-CB 3.91Å; K946-F973 HydrophobicContact CD-CD1 4.01Å; K946-F973 HydrophobicContact CD-CG 4.24Å; K946-F973 HydrophobicContact CG-CD1 4.47Å; R952-F973 HydrophobicContact CB-CE2 4.22Å; R952-F973 HydrophobicContact CB-CZ 3.93Å; R952-F973 HydrophobicContact CG-CE1 4.11Å; R952-F973 HydrophobicContact CG-CE2 3.89Å; R952-F973 HydrophobicContact CG-CZ 3.53Å; L969-F973 HydrophobicContact CD2-CD2 4.47Å; L969-F973 HydrophobicContact CD2-CE2 4.22Å; L969-F973 WeakPolarHBondContact O-CD2 3.5Å; L969-F973 PolarHBondContact O-N 3.36Å; L969-F973 VanDerWaalsContact O-N 3.12Å; C971-F973 VanDerWaalsContact C-N 3.26Å; C971-F973 PolarHBondContact O-N 2.93Å; F973-I975 HydrophobicContact CB-CG1 4.45Å; F973-I1018 HydrophobicContact CB-CD1 4.07Å; F973-I1018 HydrophobicContact CD1-CD1 4.43Å; F973-I1018 HydrophobicContact CD2-CD1 3.45Å; F973-I1018 VanDerWaalsContact CD2-CD1 3.45Å; F973-I1018 HydrophobicContact CE2-CD1 3.96Å; F973-I1018 HydrophobicContact CG-CD1 3.73Å
974G87.1Confident82Confident64 Ų6464.9 Ų64.966%0.6634%0.336SS*.THydrogen-bonded Turntrans71.231.917400000114.7A970 C971A970-G974 PolarHBondContact O-N 2.74Å; A970-G974 VanDerWaalsContact O-N 3.12Å; C971-G974 PolarHBondContact O-N 3.42Å
975I85.7Confident80.7Confident9 Ų962.8 Ų62.85%0.04633%0.325CS..  trans-126.332.5-177.563.3174.8000112.5K946 A970 F973 Q978 L979 W987 I1018K946-I975 HydrophobicContact CD-CD1 4.45Å; A970-I975 HydrophobicContact CB-CG1 4.43Å; A970-I975 PolarHBondContact O-N 3.11Å; F973-I975 HydrophobicContact CB-CG1 4.45Å; I975-Q978 HydrophobicContact CB-CB 4.25Å; I975-Q978 WeakPolarHBondContact O-CA 3.47Å; I975-Q978 WeakPolarHBondContact O-CB 3.16Å; I975-Q978 PolarHBondContact O-N 2.91Å; I975-L979 HydrophobicContact CD1-CB 4.28Å; I975-L979 HydrophobicContact CD1-CD1 4.21Å; I975-L979 HydrophobicContact CD1-CD2 4.27Å; I975-L979 HydrophobicContact CG1-CB 4.46Å; I975-W987 HydrophobicContact CD1-CD2 4.25Å; I975-W987 HydrophobicContact CD1-CG 4.1Å; I975-W987 HydrophobicContact CG2-CZ2 4.44Å; I975-I1018 HydrophobicContact CD1-CD1 4.39Å; I975-I1018 HydrophobicContact CD1-CG2 3.66Å
976Q78.2Confident79.7Confident121 Ų12168 Ų6857%0.56535%0.354SS*.THydrogen-bonded Turntrans-50138.7168.4-68.2169.1-28.600110.6A970 C971 Q978A970-Q976 HydrophobicContact CB-CG 4.43Å; A970-Q976 PolarHBondContact O-N 2.9Å; C971-Q976 PolarHBondContact SG-NE2 3.17Å; Q976-Q978 PolarHBondContact O-N 2.99Å
977G74.7Confident79.3Confident60 Ų6068.8 Ų68.862%0.61936%0.356SS*.THydrogen-bonded Turntrans74.7-7.4-170.300000115.4E980G977-E980 WeakPolarHBondContact CA-OE2 3.35Å; G977-E980 PolarHBondContact N-OE2 3.32Å
978Q76.3Confident79.1Confident98 Ų9868.6 Ų68.646%0.45835%0.354SS..SBendtrans-121.39.3-175-43.1-179.412.200114.6I975 Q976 T985 W987I975-Q978 HydrophobicContact CB-CB 4.25Å; I975-Q978 WeakPolarHBondContact O-CA 3.47Å; I975-Q978 WeakPolarHBondContact O-CB 3.16Å; I975-Q978 PolarHBondContact O-N 2.91Å; Q976-Q978 PolarHBondContact O-N 2.99Å; Q978-T985 WeakPolarHBondContact O-CB 3.35Å; Q978-T985 WeakPolarHBondContact O-CG2 3.46Å; Q978-W987 VanDerWaalsContact O-CD1 3.28Å
979L78.3Confident79Confident6 Ų666.4 Ų66.43%0.03134%0.343CS..SBendtrans-135.3-0.9174.1-157.970.7000113.2L969 A970 I975 W987 L989 I1018L969-L979 HydrophobicContact CB-CD2 3.92Å; A970-L979 HydrophobicContact CB-CB 4.01Å; I975-L979 HydrophobicContact CD1-CB 4.28Å; I975-L979 HydrophobicContact CD1-CD1 4.21Å; I975-L979 HydrophobicContact CD1-CD2 4.27Å; I975-L979 HydrophobicContact CG1-CB 4.46Å; L979-W987 HydrophobicContact CD1-CB 3.71Å; L979-L989 HydrophobicContact CD1-CB 4.28Å; L979-L989 HydrophobicContact CD2-CD1 4.3Å; L979-L989 HydrophobicContact CD2-CD2 4.49Å; L979-I1018 HydrophobicContact CD1-CG2 4.1Å; L979-I1018 HydrophobicContact CD2-CD1 4.44Å
980E69.2Low79Confident61 Ų6166.7 Ų66.729%0.28534%0.344SS..SBendtrans-99-15.7-163.7-66.2157162.400113.3H967 A970 G977H967-E980 IonicContact CE1-OE1 3.16Å; H967-E980 IonicContact CG-OE1 2.75Å; H967-E980 IonicContact ND1-OE1 3.1Å; H967-E980 PolarHBondContact ND1-OE1 3.32Å; A970-E980 HydrophobicContact CB-CG 4.3Å; G977-E980 WeakPolarHBondContact CA-OE2 3.35Å; G977-E980 PolarHBondContact N-OE2 3.32Å
981D65Low79.2Confident60 Ų6066.9 Ų66.932%0.32135%0.345SS..  trans-118.8102.3173.3177-12.1000109.1Y983 R984 T985D981-Y983 PolarHBondContact O-N 2.83Å; D981-Y983 PolarHBondContact OD1-N 3.46Å; D981-R984 HydrophobicContact CB-CB 4.03Å; D981-R984 PolarHBondContact O-N 2.87Å; D981-R984 PolarHBondContact OD1-N 3.41Å; D981-R984 WeakPolarHBondContact OD2-CD 3.44Å; D981-R984 WeakPolarHBondContact OD2-CG 3.49Å; D981-R984 IonicContact OD2-NE 3.49Å; D981-T985 VanDerWaalsContact O-CG2 3.27Å; D981-T985 WeakPolarHBondContact O-CG2 3.38Å; D981-T985 PolarHBondContact O-OG1 2.94Å
982P62.5Low79.2Confident68 Ų6865.4 Ų65.444%0.44233%0.334SS..THydrogen-bonded Turntrans-56-13.8-177.5-27.735.8000115.9
983Y63.4Low79.2Confident222 Ų22263.5 Ų63.587%0.87133%0.325SS*.THydrogen-bonded Turntrans-105.7-8.6-178.1-56.2-75.9000114D981D981-Y983 PolarHBondContact O-N 2.83Å; D981-Y983 PolarHBondContact OD1-N 3.46Å
984R62.2Low78.9Confident209 Ų20967.3 Ų67.379%0.78934%0.343SS*.THydrogen-bonded Turntrans-107.7-17.9-179.4-87.6-172.5179.1-90.22.3115.4D981D981-R984 HydrophobicContact CB-CB 4.03Å; D981-R984 PolarHBondContact O-N 2.87Å; D981-R984 PolarHBondContact OD1-N 3.41Å; D981-R984 WeakPolarHBondContact OD2-CD 3.44Å; D981-R984 WeakPolarHBondContact OD2-CG 3.49Å; D981-R984 IonicContact OD2-NE 3.49Å
985T65.2Low78.8Confident32 Ų3270.7 Ų70.720%0.19634%0.342CS..  trans-96.6132-156.553.30000114.6Q978 D981 W987Q978-T985 WeakPolarHBondContact O-CB 3.35Å; Q978-T985 WeakPolarHBondContact O-CG2 3.46Å; D981-T985 VanDerWaalsContact O-CG2 3.27Å; D981-T985 WeakPolarHBondContact O-CG2 3.38Å; D981-T985 PolarHBondContact O-OG1 2.94Å; T985-W987 PolarHBondContact O-N 2.66Å; T985-W987 VanDerWaalsContact O-N 3.11Å; T985-W987 PolarHBondContact OG1-O 3.34Å; T985-W987 VanDerWaalsContact OG1-O 3.07Å
986D73.1Confident78.8Confident111 Ų11175.3 Ų75.359%0.59437%0.367SS*.SBendtrans-66.7-0.9167.8-82.9-62.6000114.2S1020 S1021D986-S1020 CarbonylContact O-C 3.57Å; D986-S1020 WeakPolarHBondContact O-CA 3.45Å; D986-S1021 WeakPolarHBondContact CA-OG 3.48Å; D986-S1021 PolarHBondContact O-N 2.85Å; D986-S1021 PolarHBondContact O-OG 3.15Å; D986-S1021 PolarHBondContact OD1-OG 3.46Å
987W83.6Confident79.1Confident44 Ų4472.6 Ų72.617%0.16736%0.356CS..EExtended strand (participates in β ladder)trans-109.8127.8170.9-57.192.3000110.1K946 I975 Q978 L979 T985 I1018 L1019K946-W987 HydrophobicContact CD-CZ3 4.39Å; K946-W987 VanDerWaalsContact CE-CH2 3.42Å; K946-W987 HydrophobicContact CG-CZ3 4.23Å; I975-W987 HydrophobicContact CD1-CD2 4.25Å; I975-W987 HydrophobicContact CD1-CG 4.1Å; I975-W987 HydrophobicContact CG2-CZ2 4.44Å; Q978-W987 VanDerWaalsContact O-CD1 3.28Å; L979-W987 HydrophobicContact CD1-CB 3.71Å; T985-W987 PolarHBondContact O-N 2.66Å; T985-W987 VanDerWaalsContact O-N 3.11Å; T985-W987 PolarHBondContact OG1-O 3.34Å; T985-W987 VanDerWaalsContact OG1-O 3.07Å; W987-I1018 HydrophobicContact CB-CG2 4.26Å; W987-I1018 HydrophobicContact CD2-CG2 4.33Å; W987-I1018 HydrophobicContact CE3-CG2 3.86Å; W987-L1019 CarbonylContact C-O 3.59Å; W987-L1019 VanDerWaalsContact CA-O 3.27Å; W987-L1019 WeakPolarHBondContact CA-O 3.15Å
988K86.7Confident79.8Confident101 Ų10172.9 Ų72.944%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-99.5131.8166-66.9-164.6-176.9-177.30109.9L1000 L1019 V1024K988-L1000 HydrophobicContact CD-CD2 4.37Å; K988-L1019 PolarHBondContact N-O 3.48Å; K988-L1019 PolarHBondContact O-N 3.13Å; K988-V1024 HydrophobicContact CB-CG2 3.9Å; K988-V1024 HydrophobicContact CD-CG1 3.89Å; K988-V1024 HydrophobicContact CD-CG2 3.77Å; K988-V1024 HydrophobicContact CG-CG2 3.89Å
989L91.4Very high80.5Confident11 Ų1170.9 Ų70.96%0.05834%0.335CS..EExtended strand (participates in β ladder)trans-92.6115.7172.3-167.162.8000108.7R966 L969 L979 V1001 I1016 I1018R966-L989 HydrophobicContact CG-CD2 3.92Å; L969-L989 HydrophobicContact CD1-CD1 3.9Å; L969-L989 HydrophobicContact CD1-CD2 4.12Å; L979-L989 HydrophobicContact CD1-CB 4.28Å; L979-L989 HydrophobicContact CD2-CD1 4.3Å; L979-L989 HydrophobicContact CD2-CD2 4.49Å; L989-V1001 HydrophobicContact CB-CB 4.14Å; L989-V1001 HydrophobicContact CD2-CB 3.87Å; L989-V1001 HydrophobicContact CD2-CG1 3.68Å; L989-V1001 HydrophobicContact CD2-CG2 4.29Å; L989-V1001 HydrophobicContact CG-CB 3.76Å; L989-V1001 HydrophobicContact CG-CG1 4.13Å; L989-V1001 HydrophobicContact CG-CG2 3.85Å; L989-V1001 PolarHBondContact O-N 3.48Å; L989-I1016 HydrophobicContact CD1-CG2 3.5Å; L989-I1016 VanDerWaalsContact CD1-CG2 3.5Å; L989-I1016 HydrophobicContact CG-CG2 4.15Å; L989-I1018 HydrophobicContact CD1-CG1 3.74Å
990V93.5Very high81.1Confident6 Ų674.1 Ų74.14%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-121.8157.8176.9-56.30000110.3I998 L999 L1000 I1016 K1017 L1019V990-I998 HydrophobicContact CB-CG2 3.79Å; V990-I998 HydrophobicContact CG1-CG2 4.37Å; V990-I998 HydrophobicContact CG2-CG2 3.62Å; V990-L999 CarbonylContact C-O 3.59Å; V990-L999 WeakPolarHBondContact CA-O 3.38Å; V990-L999 VanDerWaalsContact CB-O 3.29Å; V990-L999 WeakPolarHBondContact CB-O 3.48Å; V990-L1000 HydrophobicContact CG1-CD2 4.27Å; V990-L1000 HydrophobicContact CG1-CG 4.5Å; V990-I1016 CarbonylContact O-C 3.58Å; V990-I1016 WeakPolarHBondContact O-CA 3.48Å; V990-I1016 WeakPolarHBondContact O-CG2 3.29Å; V990-K1017 HydrophobicContact CG2-CB 3.85Å; V990-K1017 PolarHBondContact N-O 2.98Å; V990-K1017 PolarHBondContact O-N 3.16Å; V990-K1017 VanDerWaalsContact O-O 3.09Å; V990-L1019 HydrophobicContact CG1-CD1 4.27Å; V990-L1019 HydrophobicContact CG2-CD1 3.58Å; V990-L1019 HydrophobicContact CG2-CG 4.02Å
991Y94Very high82.2Confident3 Ų371.5 Ų71.51%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-128.5157174.877.8-84.8000111.5D993 I998 L999 V1001 D1004 F1009 C1012 V1013 S1015Y991-D993 HydrophobicContact CE2-CB 4.03Å; Y991-I998 CarbonylContact O-C 3.27Å; Y991-I998 WeakPolarHBondContact O-CA 3.39Å; Y991-L999 HydrophobicContact CD1-CB 3.92Å; Y991-L999 WeakPolarHBondContact CD1-O 3.4Å; Y991-L999 HydrophobicContact CE1-CB 3.43Å; Y991-L999 VanDerWaalsContact CE1-CB 3.43Å; Y991-L999 HydrophobicContact CE1-CD1 4.36Å; Y991-L999 HydrophobicContact CE2-CB 4.28Å; Y991-L999 HydrophobicContact CE2-CD1 4.11Å; Y991-L999 PolarHBondContact N-O 3.32Å; Y991-L999 PolarHBondContact O-N 3.18Å; Y991-L999 WeakPolarHBondContact OH-CD1 3.42Å; Y991-V1001 HydrophobicContact CD1-CG2 3.69Å; Y991-V1001 HydrophobicContact CG-CG2 4.15Å; Y991-D1004 PolarHBondContact OH-OD2 3.47Å; Y991-F1009 AromaticContact CD1-CD2 3.8Å; Y991-F1009 HydrophobicContact CD1-CD2 3.8Å; Y991-F1009 AromaticContact CD1-CE2 3.8Å; Y991-F1009 HydrophobicContact CD1-CE2 3.8Å; Y991-F1009 HydrophobicContact CD2-CD2 4.19Å; Y991-F1009 HydrophobicContact CD2-CE2 4.21Å; Y991-F1009 AromaticContact CE1-CD2 3.79Å; Y991-F1009 HydrophobicContact CE1-CD2 3.79Å; Y991-F1009 HydrophobicContact CE1-CE2 4.29Å; Y991-F1009 HydrophobicContact CE2-CD2 4.2Å; Y991-F1009 AromaticContact CG-CD2 3.98Å; Y991-F1009 HydrophobicContact CG-CD2 3.98Å; Y991-F1009 AromaticContact CG-CE2 3.74Å; Y991-F1009 HydrophobicContact CG-CE2 3.74Å; Y991-F1009 AromaticContact CZ-CD2 4Å; Y991-C1012 WeakPolarHBondContact CE2-SG 3.27Å; Y991-C1012 PolarHBondContact OH-SG 2.92Å; Y991-V1013 HydrophobicContact CD2-CB 4.07Å; Y991-V1013 HydrophobicContact CD2-CG2 3.98Å; Y991-V1013 HydrophobicContact CG-CG2 4.31Å; Y991-S1015 CarbonylContact C-O 3.55Å; Y991-S1015 VanDerWaalsContact CA-O 3.3Å; Y991-S1015 WeakPolarHBondContact CA-O 3.32Å; Y991-S1015 WeakPolarHBondContact CB-O 3.37Å
992V91.9Very high83.3Confident15 Ų1570.1 Ų70.19%0.09134%0.34CS..EExtended strand (participates in β ladder)trans-101.1126.6171.1-173.10000107.1N996 D997 I998 K1014 S1015V992-N996 HydrophobicContact CG1-CB 4.41Å; V992-D997 VanDerWaalsContact CA-O 3.29Å; V992-D997 WeakPolarHBondContact CA-O 3.46Å; V992-I998 HydrophobicContact CG2-CG1 4.47Å; V992-K1014 VanDerWaalsContact O-CB 3.26Å; V992-K1014 WeakPolarHBondContact O-CB 3.18Å; V992-K1014 PolarHBondContact O-N 2.9Å; V992-S1015 WeakPolarHBondContact CG2-OG 3.43Å; V992-S1015 PolarHBondContact N-O 3.46Å; V992-S1015 PolarHBondContact O-N 3.48Å
993D90.8Very high84.5Confident13 Ų1372.8 Ų72.87%0.0735%0.351CS..EExtended strand (participates in β ladder)trans-81.3-179.5175.777.9-3.2000112.4R147 Y991 E995 N996 D997 L999 C1012 K1014R147-D993 IonicContact CZ-OD2 3.94Å; R147-D993 IonicContact NH1-OD1 3.32Å; R147-D993 IonicContact NH1-OD2 2.8Å; R147-D993 IonicContact NH2-OD2 2.96Å; R147-D993 PolarHBondContact NH2-OD2 2.9Å; Y991-D993 HydrophobicContact CE2-CB 4.03Å; D993-E995 VanDerWaalsContact C-N 3.27Å; D993-E995 PolarHBondContact O-N 3.02Å; D993-E995 VanDerWaalsContact OD1-C 3.23Å; D993-E995 WeakPolarHBondContact OD1-CA 3.36Å; D993-E995 PolarHBondContact OD1-N 2.97Å; D993-N996 PolarHBondContact O-N 3.44Å; D993-N996 WeakPolarHBondContact OD1-CA 3.47Å; D993-N996 PolarHBondContact OD1-N 3.34Å; D993-D997 PolarHBondContact N-O 3.47Å; D993-D997 VanDerWaalsContact N-O 3.1Å; D993-D997 PolarHBondContact OD1-N 3.2Å; D993-L999 HydrophobicContact CB-CD1 4.25Å; D993-C1012 CarbonylContact C-O 3.46Å; D993-C1012 VanDerWaalsContact CA-O 3.3Å; D993-C1012 WeakPolarHBondContact CA-O 3.41Å; D993-K1014 WeakPolarHBondContact O-CB 3.4Å; D993-K1014 WeakPolarHBondContact O-CD 3.38Å
994H85Confident85.6Confident99 Ų9964.7 Ų64.746%0.45832%0.322SS..THydrogen-bonded Turntrans-62.9-32.7176.2-65.3-42.3000113.5N996 S1011 C1012 K1014H994-N996 VanDerWaalsContact C-N 3.31Å; H994-S1011 PolarHBondContact NE2-O 3.38Å; H994-C1012 PolarHBondContact CD2-O 3.39Å; H994-C1012 PolarHBondContact CE1-O 3.37Å; H994-C1012 PolarHBondContact N-O 3.29Å; H994-C1012 VanDerWaalsContact N-O 3.1Å; H994-C1012 PolarHBondContact NE2-O 3.44Å; H994-K1014 PolarHBondContact O-NZ 3.36Å
995E84.8Confident87Confident136 Ų13657.8 Ų57.864%0.63630%0.304SS*.THydrogen-bonded Turntrans-80.4-7179.6-62.9178.6-164.700113.2R147 D993R147-E995 IonicContact CZ-OE2 3.58Å; R147-E995 IonicContact NE-OE2 2.78Å; R147-E995 PolarHBondContact NE-OE2 3.14Å; R147-E995 IonicContact NH1-OE2 3.25Å; R147-E995 IonicContact NH2-OE2 2.72Å; R147-E995 PolarHBondContact NH2-OE2 3.25Å; D993-E995 VanDerWaalsContact C-N 3.27Å; D993-E995 PolarHBondContact O-N 3.02Å; D993-E995 VanDerWaalsContact OD1-C 3.23Å; D993-E995 WeakPolarHBondContact OD1-CA 3.36Å; D993-E995 PolarHBondContact OD1-N 2.97Å
996N84.1Confident88.3Confident105 Ų10557.9 Ų57.956%0.56130%0.301SS*.  trans80.414.2-176.9-43.5-72.9000118.1V992 D993 H994 K1014V992-N996 HydrophobicContact CG1-CB 4.41Å; D993-N996 PolarHBondContact O-N 3.44Å; D993-N996 WeakPolarHBondContact OD1-CA 3.47Å; D993-N996 PolarHBondContact OD1-N 3.34Å; H994-N996 VanDerWaalsContact C-N 3.31Å; N996-K1014 PolarHBondContact OD1-NZ 2.67Å
997D84.9Confident89.1Confident65 Ų6559.2 Ų59.235%0.34830%0.304SS..  trans-72.8147.1171.7-91.621.3000111R147 V992 D993 L999R147-D997 WeakPolarHBondContact CD-OD1 3.2Å; R147-D997 IonicContact CZ-OD1 3.6Å; R147-D997 IonicContact CZ-OD2 2.89Å; R147-D997 VanDerWaalsContact CZ-OD2 3.25Å; R147-D997 IonicContact NE-OD1 2.79Å; R147-D997 IonicContact NE-OD2 3.86Å; R147-D997 PolarHBondContact NE-OD2 3.32Å; R147-D997 IonicContact NH1-OD1 2.9Å; R147-D997 PolarHBondContact NH1-OD1 2.92Å; R147-D997 IonicContact NH1-OD2 2.7Å; R147-D997 PolarHBondContact NH1-OD2 2.96Å; R147-D997 IonicContact NH2-OD2 3.91Å; V992-D997 VanDerWaalsContact CA-O 3.29Å; V992-D997 WeakPolarHBondContact CA-O 3.46Å; D993-D997 PolarHBondContact N-O 3.47Å; D993-D997 VanDerWaalsContact N-O 3.1Å; D993-D997 PolarHBondContact OD1-N 3.2Å; D997-L999 HydrophobicContact CB-CG 4.25Å
998I89.6Confident89.3Confident66 Ų6662.8 Ų62.834%0.33832%0.322SS..EExtended strand (participates in β ladder)trans-95.2106.1173.6-57-179.2000108.6V990 Y991 V992 M1027 L1033V990-I998 HydrophobicContact CB-CG2 3.79Å; V990-I998 HydrophobicContact CG1-CG2 4.37Å; V990-I998 HydrophobicContact CG2-CG2 3.62Å; Y991-I998 CarbonylContact O-C 3.27Å; Y991-I998 WeakPolarHBondContact O-CA 3.39Å; V992-I998 HydrophobicContact CG2-CG1 4.47Å; I998-M1027 HydrophobicContact CD1-SD 4.39Å; I998-M1027 HydrophobicContact CG2-SD 4.4Å; I998-L1033 HydrophobicContact CD1-CD1 4.02Å
999L91.4Very high89.6Confident56 Ų5658 Ų5829%0.29330%0.301SS..EExtended strand (participates in β ladder)trans-112156.2-175.1-64.4171.2000111.1V990 Y991 D993 D997V990-L999 CarbonylContact C-O 3.59Å; V990-L999 WeakPolarHBondContact CA-O 3.38Å; V990-L999 VanDerWaalsContact CB-O 3.29Å; V990-L999 WeakPolarHBondContact CB-O 3.48Å; Y991-L999 HydrophobicContact CD1-CB 3.92Å; Y991-L999 WeakPolarHBondContact CD1-O 3.4Å; Y991-L999 HydrophobicContact CE1-CB 3.43Å; Y991-L999 VanDerWaalsContact CE1-CB 3.43Å; Y991-L999 HydrophobicContact CE1-CD1 4.36Å; Y991-L999 HydrophobicContact CE2-CB 4.28Å; Y991-L999 HydrophobicContact CE2-CD1 4.11Å; Y991-L999 PolarHBondContact N-O 3.32Å; Y991-L999 PolarHBondContact O-N 3.18Å; Y991-L999 WeakPolarHBondContact OH-CD1 3.42Å; D993-L999 HydrophobicContact CB-CD1 4.25Å; D997-L999 HydrophobicContact CB-CG 4.25Å
1000L91.3Very high89.6Confident74 Ų7459.7 Ų59.739%0.38731%0.312SS..EExtended strand (participates in β ladder)trans-79.5130.7178.8-87.3150.2000111K988 V990 G1002 D1003K988-L1000 HydrophobicContact CD-CD2 4.37Å; V990-L1000 HydrophobicContact CG1-CD2 4.27Å; V990-L1000 HydrophobicContact CG1-CG 4.5Å; L1000-G1002 PolarHBondContact O-N 2.91Å; L1000-D1003 PolarHBondContact O-N 3.45Å
1001V91.1Very high89.3Confident6 Ų663.7 Ų63.74%0.03634%0.34CS..THydrogen-bonded Turntrans-74.5102.5177.1177.10000108.9Y962 L965 R966 L989 Y991 F1009Y962-V1001 HydrophobicContact CD1-CG1 3.56Å; Y962-V1001 HydrophobicContact CE1-CG1 3.64Å; L965-V1001 HydrophobicContact CD2-CG1 4.35Å; R966-V1001 PolarHBondContact NH2-O 3.39Å; L989-V1001 HydrophobicContact CB-CB 4.14Å; L989-V1001 HydrophobicContact CD2-CB 3.87Å; L989-V1001 HydrophobicContact CD2-CG1 3.68Å; L989-V1001 HydrophobicContact CD2-CG2 4.29Å; L989-V1001 HydrophobicContact CG-CB 3.76Å; L989-V1001 HydrophobicContact CG-CG1 4.13Å; L989-V1001 HydrophobicContact CG-CG2 3.85Å; L989-V1001 PolarHBondContact O-N 3.48Å; Y991-V1001 HydrophobicContact CD1-CG2 3.69Å; Y991-V1001 HydrophobicContact CG-CG2 4.15Å; V1001-F1009 HydrophobicContact CG1-CE2 4.18Å; V1001-F1009 HydrophobicContact CG1-CZ 4.02Å; V1001-F1009 HydrophobicContact CG2-CE2 3.93Å; V1001-F1009 HydrophobicContact CG2-CZ 4.33Å
1002G88.5Confident89.1Confident31 Ų3165 Ų6532%0.3235%0.35SS..THydrogen-bonded Turntrans136.2-14.1-178.800000115L1000L1000-G1002 PolarHBondContact O-N 2.91Å
1003D88.2Confident89.1Confident124 Ų12464.9 Ų64.966%0.66335%0.349SS*.SBendtrans-78.9-36.2-176.9-728.6000112.1L1000L1000-D1003 PolarHBondContact O-N 3.45Å
1004D87.2Confident89.1Confident51 Ų5167.8 Ų67.827%0.27336%0.361SS..SBendtrans-91158.6178.4-55.4-69000112.4Y962 Y991Y962-D1004 VanDerWaalsContact CE2-O 3.32Å; Y962-D1004 WeakPolarHBondContact CE2-O 3.45Å; Y962-D1004 PolarHBondContact OH-O 3.14Å; Y991-D1004 PolarHBondContact OH-OD2 3.47Å
1005P90.3Very high89.6Confident64 Ų6464.1 Ų64.142%0.41635%0.347SS..  trans-56147169-24.735.4000112.6E1007 E1008 F1009P1005-E1007 VanDerWaalsContact C-N 3.29Å; P1005-E1007 PolarHBondContact O-N 2.88Å; P1005-E1008 HydrophobicContact CB-CB 4.32Å; P1005-E1008 HydrophobicContact CB-CG 4.15Å; P1005-E1008 HydrophobicContact CG-CG 4.24Å; P1005-E1008 PolarHBondContact O-N 3.45Å; P1005-E1008 VanDerWaalsContact O-N 3.07Å; P1005-F1009 PolarHBondContact O-N 2.97Å
1006W92.2Very high90.1Very high34 Ų3457.7 Ų57.713%0.12932%0.317CS..Hα-helixtrans-56.9-42.1-176174-109.3000112.7I956 Y959 G961 Y962 L965 F1009 V1010I956-W1006 HydrophobicContact CG1-CH2 4.46Å; Y959-W1006 WeakPolarHBondContact O-CZ2 3.39Å; G961-W1006 VanDerWaalsContact C-CZ3 3.45Å; Y962-W1006 AromaticContact CD1-CE3 3.65Å; Y962-W1006 HydrophobicContact CD1-CE3 3.65Å; Y962-W1006 AromaticContact CD1-CZ3 3.71Å; Y962-W1006 HydrophobicContact CD1-CZ3 3.71Å; Y962-W1006 HydrophobicContact CD2-CE3 4.25Å; Y962-W1006 AromaticContact CE1-CE3 3.79Å; Y962-W1006 HydrophobicContact CE1-CE3 3.79Å; Y962-W1006 HydrophobicContact CE1-CZ3 4.07Å; Y962-W1006 HydrophobicContact CE2-CE3 4.38Å; Y962-W1006 AromaticContact CG-CE3 3.91Å; Y962-W1006 HydrophobicContact CG-CE3 3.91Å; Y962-W1006 HydrophobicContact CG-CZ3 4.23Å; L965-W1006 HydrophobicContact CB-CH2 4.15Å; L965-W1006 HydrophobicContact CB-CZ3 4.26Å; L965-W1006 HydrophobicContact CD2-CH2 4.08Å; L965-W1006 HydrophobicContact CD2-CZ3 3.88Å; W1006-F1009 AromaticContact CE3-CD1 3.78Å; W1006-F1009 HydrophobicContact CE3-CD1 3.78Å; W1006-F1009 HydrophobicContact CE3-CE1 4.12Å; W1006-F1009 HydrophobicContact CH2-CD1 4.46Å; W1006-F1009 HydrophobicContact CH2-CE1 4.14Å; W1006-F1009 AromaticContact CZ3-CD1 3.71Å; W1006-F1009 HydrophobicContact CZ3-CD1 3.71Å; W1006-F1009 AromaticContact CZ3-CE1 3.56Å; W1006-F1009 HydrophobicContact CZ3-CE1 3.56Å; W1006-F1009 PolarHBondContact O-N 3.09Å; W1006-V1010 HydrophobicContact CD2-CG2 4.05Å; W1006-V1010 HydrophobicContact CE3-CG2 4.49Å; W1006-V1010 HydrophobicContact CH2-CG2 4.16Å; W1006-V1010 HydrophobicContact CZ2-CG2 3.66Å; W1006-V1010 WeakPolarHBondContact O-CB 3.4Å; W1006-V1010 VanDerWaalsContact O-CG2 3.31Å; W1006-V1010 WeakPolarHBondContact O-CG2 3.28Å; W1006-V1010 PolarHBondContact O-N 3.45Å
1007E89.8Confident90.5Very high139 Ų13954.7 Ų54.765%0.6530%0.299SS*.Hα-helixtrans-66.3-36.1178.5-66.868.1-152.200112.4P1005 S1011P1005-E1007 VanDerWaalsContact C-N 3.29Å; P1005-E1007 PolarHBondContact O-N 2.88Å; E1007-S1011 WeakPolarHBondContact O-CB 3.45Å; E1007-S1011 PolarHBondContact O-N 3.4Å
1008E89Confident90.9Very high119 Ų11951.7 Ų51.756%0.55628%0.283SS*.Hα-helixtrans-71.7-46.4177.3-67-176.3-157.300110.3P1005 V1010 S1011 C1012P1005-E1008 HydrophobicContact CB-CB 4.32Å; P1005-E1008 HydrophobicContact CB-CG 4.15Å; P1005-E1008 HydrophobicContact CG-CG 4.24Å; P1005-E1008 PolarHBondContact O-N 3.45Å; P1005-E1008 VanDerWaalsContact O-N 3.07Å; E1008-V1010 PolarHBondContact O-N 3.44Å; E1008-S1011 CarbonylContact O-C 3.52Å; E1008-S1011 WeakPolarHBondContact O-CA 3.39Å; E1008-S1011 WeakPolarHBondContact O-CB 3.39Å; E1008-S1011 PolarHBondContact O-N 3.04Å; E1008-C1012 PolarHBondContact O-N 2.93Å; E1008-C1012 PolarHBondContact O-SG 3.46Å
1009F93.1Very high91Very high0 Ų049 Ų490%027%0.269CS..Hα-helixtrans-56.6-48.1173.5163.2-105.3000112.8I956 Y962 L965 Y991 V1001 P1005 W1006 S1011 C1012 V1013 I1016I956-F1009 HydrophobicContact CD1-CD1 4.4Å; I956-F1009 HydrophobicContact CD1-CE1 3.48Å; I956-F1009 VanDerWaalsContact CD1-CE1 3.48Å; I956-F1009 HydrophobicContact CD1-CZ 3.68Å; Y962-F1009 HydrophobicContact CD1-CD1 4.31Å; Y962-F1009 HydrophobicContact CD1-CE1 4.33Å; Y962-F1009 HydrophobicContact CE1-CB 4.17Å; Y962-F1009 AromaticContact CE1-CD1 3.47Å; Y962-F1009 HydrophobicContact CE1-CD1 3.47Å; Y962-F1009 VanDerWaalsContact CE1-CD1 3.47Å; Y962-F1009 HydrophobicContact CE1-CD2 4.25Å; Y962-F1009 AromaticContact CE1-CE1 3.82Å; Y962-F1009 HydrophobicContact CE1-CE1 3.82Å; Y962-F1009 AromaticContact CE1-CG 3.69Å; Y962-F1009 HydrophobicContact CE1-CG 3.69Å; Y962-F1009 HydrophobicContact CE1-CZ 4.35Å; Y962-F1009 WeakPolarHBondContact OH-CB 3.4Å; L965-F1009 HydrophobicContact CD2-CE1 3.62Å; L965-F1009 HydrophobicContact CD2-CZ 3.74Å; Y991-F1009 AromaticContact CD1-CD2 3.8Å; Y991-F1009 HydrophobicContact CD1-CD2 3.8Å; Y991-F1009 AromaticContact CD1-CE2 3.8Å; Y991-F1009 HydrophobicContact CD1-CE2 3.8Å; Y991-F1009 HydrophobicContact CD2-CD2 4.19Å; Y991-F1009 HydrophobicContact CD2-CE2 4.21Å; Y991-F1009 AromaticContact CE1-CD2 3.79Å; Y991-F1009 HydrophobicContact CE1-CD2 3.79Å; Y991-F1009 HydrophobicContact CE1-CE2 4.29Å; Y991-F1009 HydrophobicContact CE2-CD2 4.2Å; Y991-F1009 AromaticContact CG-CD2 3.98Å; Y991-F1009 HydrophobicContact CG-CD2 3.98Å; Y991-F1009 AromaticContact CG-CE2 3.74Å; Y991-F1009 HydrophobicContact CG-CE2 3.74Å; Y991-F1009 AromaticContact CZ-CD2 4Å; V1001-F1009 HydrophobicContact CG1-CE2 4.18Å; V1001-F1009 HydrophobicContact CG1-CZ 4.02Å; V1001-F1009 HydrophobicContact CG2-CE2 3.93Å; V1001-F1009 HydrophobicContact CG2-CZ 4.33Å; P1005-F1009 PolarHBondContact O-N 2.97Å; W1006-F1009 AromaticContact CE3-CD1 3.78Å; W1006-F1009 HydrophobicContact CE3-CD1 3.78Å; W1006-F1009 HydrophobicContact CE3-CE1 4.12Å; W1006-F1009 HydrophobicContact CH2-CD1 4.46Å; W1006-F1009 HydrophobicContact CH2-CE1 4.14Å; W1006-F1009 AromaticContact CZ3-CD1 3.71Å; W1006-F1009 HydrophobicContact CZ3-CD1 3.71Å; W1006-F1009 AromaticContact CZ3-CE1 3.56Å; W1006-F1009 HydrophobicContact CZ3-CE1 3.56Å; W1006-F1009 PolarHBondContact O-N 3.09Å; F1009-S1011 PolarHBondContact O-N 2.72Å; F1009-C1012 VanDerWaalsContact CA-SG 3.6Å; F1009-C1012 PolarHBondContact O-N 2.88Å; F1009-V1013 HydrophobicContact CD2-CB 4.18Å; F1009-V1013 HydrophobicContact CE2-CB 3.94Å; F1009-V1013 HydrophobicContact CE2-CG1 4.5Å; F1009-V1013 HydrophobicContact CE2-CG2 3.89Å; F1009-V1013 HydrophobicContact CZ-CB 4.45Å; F1009-V1013 HydrophobicContact CZ-CG2 4.3Å; F1009-V1013 VanDerWaalsContact O-CB 3.25Å; F1009-V1013 WeakPolarHBondContact O-CB 3.41Å; F1009-V1013 WeakPolarHBondContact O-CG1 3.45Å; F1009-V1013 PolarHBondContact O-N 3.07Å; F1009-I1016 HydrophobicContact CZ-CD1 4.06Å
1010V91.3Very high90.8Very high47 Ų4747.5 Ų47.529%0.28526%0.263SS..Hα-helixtrans-61.3-27.9176.3166.30000111.9I956 W1006 E1008I956-V1010 HydrophobicContact CG2-CG1 4.27Å; W1006-V1010 HydrophobicContact CD2-CG2 4.05Å; W1006-V1010 HydrophobicContact CE3-CG2 4.49Å; W1006-V1010 HydrophobicContact CH2-CG2 4.16Å; W1006-V1010 HydrophobicContact CZ2-CG2 3.66Å; W1006-V1010 WeakPolarHBondContact O-CB 3.4Å; W1006-V1010 VanDerWaalsContact O-CG2 3.31Å; W1006-V1010 WeakPolarHBondContact O-CG2 3.28Å; W1006-V1010 PolarHBondContact O-N 3.45Å; E1008-V1010 PolarHBondContact O-N 3.44Å
1011S87.9Confident90.3Very high90 Ų9046 Ų4663%0.62926%0.259SS*.Hα-helixtrans-80.9-37.2175.7-169.70000113.6H994 E1007 E1008 F1009H994-S1011 PolarHBondContact NE2-O 3.38Å; E1007-S1011 WeakPolarHBondContact O-CB 3.45Å; E1007-S1011 PolarHBondContact O-N 3.4Å; E1008-S1011 CarbonylContact O-C 3.52Å; E1008-S1011 WeakPolarHBondContact O-CA 3.39Å; E1008-S1011 WeakPolarHBondContact O-CB 3.39Å; E1008-S1011 PolarHBondContact O-N 3.04Å; F1009-S1011 PolarHBondContact O-N 2.72Å
1012C89.6Confident89.8Confident32 Ų3250 Ų5022%0.21628%0.283CS..Hα-helixtrans-95.9-17.4-172710000114.9Y991 D993 H994 E1008 F1009Y991-C1012 WeakPolarHBondContact CE2-SG 3.27Å; Y991-C1012 PolarHBondContact OH-SG 2.92Å; D993-C1012 CarbonylContact C-O 3.46Å; D993-C1012 VanDerWaalsContact CA-O 3.3Å; D993-C1012 WeakPolarHBondContact CA-O 3.41Å; H994-C1012 PolarHBondContact CD2-O 3.39Å; H994-C1012 PolarHBondContact CE1-O 3.37Å; H994-C1012 PolarHBondContact N-O 3.29Å; H994-C1012 VanDerWaalsContact N-O 3.1Å; H994-C1012 PolarHBondContact NE2-O 3.44Å; E1008-C1012 PolarHBondContact O-N 2.93Å; E1008-C1012 PolarHBondContact O-SG 3.46Å; F1009-C1012 VanDerWaalsContact CA-SG 3.6Å; F1009-C1012 PolarHBondContact O-N 2.88Å
1013V92Very high89.7Confident12 Ų1249.6 Ų49.67%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-69.9133.2-173.766.20000114.3T942 I956 Y991 F1009 I1016T942-V1013 HydrophobicContact CG2-CG2 3.83Å; I956-V1013 HydrophobicContact CD1-CG1 3.75Å; Y991-V1013 HydrophobicContact CD2-CB 4.07Å; Y991-V1013 HydrophobicContact CD2-CG2 3.98Å; Y991-V1013 HydrophobicContact CG-CG2 4.31Å; F1009-V1013 HydrophobicContact CD2-CB 4.18Å; F1009-V1013 HydrophobicContact CE2-CB 3.94Å; F1009-V1013 HydrophobicContact CE2-CG1 4.5Å; F1009-V1013 HydrophobicContact CE2-CG2 3.89Å; F1009-V1013 HydrophobicContact CZ-CB 4.45Å; F1009-V1013 HydrophobicContact CZ-CG2 4.3Å; F1009-V1013 VanDerWaalsContact O-CB 3.25Å; F1009-V1013 WeakPolarHBondContact O-CB 3.41Å; F1009-V1013 WeakPolarHBondContact O-CG1 3.45Å; F1009-V1013 PolarHBondContact O-N 3.07Å; V1013-I1016 HydrophobicContact CG2-CD1 4.46Å; V1013-I1016 HydrophobicContact CG2-CG1 3.94Å
1014K90.5Very high89.2Confident73 Ų7344.7 Ų44.732%0.31725%0.247SC..EExtended strand (participates in β ladder)trans-114.3-37.5179.3-171.7-177.5-165.9166.20112.5V992 D993 H994 N996V992-K1014 VanDerWaalsContact O-CB 3.26Å; V992-K1014 WeakPolarHBondContact O-CB 3.18Å; V992-K1014 PolarHBondContact O-N 2.9Å; D993-K1014 WeakPolarHBondContact O-CB 3.4Å; D993-K1014 WeakPolarHBondContact O-CD 3.38Å; H994-K1014 PolarHBondContact O-NZ 3.36Å; N996-K1014 PolarHBondContact OD1-NZ 2.67Å
1015S94.1Very high88.6Confident23 Ų2348.3 Ų48.316%0.16126%0.263CS..EExtended strand (participates in β ladder)trans-159.6161.3169.662.60000111.2K943 Y991 V992K943-S1015 CarbonylContact O-C 3.53Å; K943-S1015 VanDerWaalsContact O-CA 3.31Å; K943-S1015 WeakPolarHBondContact O-CA 3.48Å; K943-S1015 WeakPolarHBondContact O-CB 3.37Å; Y991-S1015 CarbonylContact C-O 3.55Å; Y991-S1015 VanDerWaalsContact CA-O 3.3Å; Y991-S1015 WeakPolarHBondContact CA-O 3.32Å; Y991-S1015 WeakPolarHBondContact CB-O 3.37Å; V992-S1015 WeakPolarHBondContact CG2-OG 3.43Å; V992-S1015 PolarHBondContact N-O 3.46Å; V992-S1015 PolarHBondContact O-N 3.48Å
1016I95.2Very high87.7Confident0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-119.5139.5-179.8-61.8168.6000109T942 K943 V944 Q945 I954 I956 L965 L969 L989 V990 F1009 V1013T942-I1016 HydrophobicContact CG2-CD1 3.97Å; T942-I1016 HydrophobicContact CG2-CG1 3.93Å; K943-I1016 PolarHBondContact O-N 3.42Å; V944-I1016 CarbonylContact C-O 3.58Å; V944-I1016 VanDerWaalsContact CA-O 3.31Å; V944-I1016 WeakPolarHBondContact CA-O 3.27Å; V944-I1016 HydrophobicContact CG1-CB 4.09Å; V944-I1016 HydrophobicContact CG1-CG2 4.06Å; V944-I1016 HydrophobicContact CG2-CB 4.29Å; Q945-I1016 PolarHBondContact N-O 3.18Å; I954-I1016 HydrophobicContact CD1-CD1 4.26Å; I956-I1016 HydrophobicContact CD1-CD1 4.27Å; L965-I1016 HydrophobicContact CD2-CD1 4.32Å; L969-I1016 HydrophobicContact CD1-CG2 4.15Å; L989-I1016 HydrophobicContact CD1-CG2 3.5Å; L989-I1016 VanDerWaalsContact CD1-CG2 3.5Å; L989-I1016 HydrophobicContact CG-CG2 4.15Å; V990-I1016 CarbonylContact O-C 3.58Å; V990-I1016 WeakPolarHBondContact O-CA 3.48Å; V990-I1016 WeakPolarHBondContact O-CG2 3.29Å; F1009-I1016 HydrophobicContact CZ-CD1 4.06Å; V1013-I1016 HydrophobicContact CG2-CD1 4.46Å; V1013-I1016 HydrophobicContact CG2-CG1 3.94Å
1017K94Very high86.3Confident43 Ų4350 Ų5019%0.18727%0.267CS..EExtended strand (participates in β ladder)trans-122.5134.7173.9-62.1178.8-179.7177.30110.1Q945 V990 L1019Q945-K1017 CarbonylContact O-C 3.59Å; Q945-K1017 WeakPolarHBondContact O-CA 3.46Å; V990-K1017 HydrophobicContact CG2-CB 3.85Å; V990-K1017 PolarHBondContact N-O 2.98Å; V990-K1017 PolarHBondContact O-N 3.16Å; V990-K1017 VanDerWaalsContact O-O 3.09Å; K1017-L1019 HydrophobicContact CB-CD2 4.16Å; K1017-L1019 HydrophobicContact CB-CG 4.37Å
1018I92.8Very high84.8Confident1 Ų147.9 Ų47.91%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-101.2113.6171.9-51177.7000106.8V944 Q945 K946 F973 I975 L979 W987 L989V944-I1018 HydrophobicContact CG1-CD1 4.41Å; V944-I1018 HydrophobicContact CG1-CG1 4.44Å; Q945-I1018 PolarHBondContact O-N 3.41Å; K946-I1018 HydrophobicContact CB-CB 3.97Å; K946-I1018 HydrophobicContact CB-CD1 4.39Å; K946-I1018 HydrophobicContact CD-CB 4.41Å; K946-I1018 HydrophobicContact CD-CG2 4.26Å; K946-I1018 HydrophobicContact CG-CB 4.06Å; K946-I1018 HydrophobicContact CG-CG2 4.28Å; F973-I1018 HydrophobicContact CB-CD1 4.07Å; F973-I1018 HydrophobicContact CD1-CD1 4.43Å; F973-I1018 HydrophobicContact CD2-CD1 3.45Å; F973-I1018 VanDerWaalsContact CD2-CD1 3.45Å; F973-I1018 HydrophobicContact CE2-CD1 3.96Å; F973-I1018 HydrophobicContact CG-CD1 3.73Å; I975-I1018 HydrophobicContact CD1-CD1 4.39Å; I975-I1018 HydrophobicContact CD1-CG2 3.66Å; L979-I1018 HydrophobicContact CD1-CG2 4.1Å; L979-I1018 HydrophobicContact CD2-CD1 4.44Å; W987-I1018 HydrophobicContact CB-CG2 4.26Å; W987-I1018 HydrophobicContact CD2-CG2 4.33Å; W987-I1018 HydrophobicContact CE3-CG2 3.86Å; L989-I1018 HydrophobicContact CD1-CG1 3.74Å
1019L91Very high83.3Confident10 Ų1049.2 Ų49.25%0.05228%0.278CS..EExtended strand (participates in β ladder)trans-115133.8-172.9-58.4179.2000110.8W987 K988 V990 K1017 E1023 V1024 M1027W987-L1019 CarbonylContact C-O 3.59Å; W987-L1019 VanDerWaalsContact CA-O 3.27Å; W987-L1019 WeakPolarHBondContact CA-O 3.15Å; K988-L1019 PolarHBondContact N-O 3.48Å; K988-L1019 PolarHBondContact O-N 3.13Å; V990-L1019 HydrophobicContact CG1-CD1 4.27Å; V990-L1019 HydrophobicContact CG2-CD1 3.58Å; V990-L1019 HydrophobicContact CG2-CG 4.02Å; K1017-L1019 HydrophobicContact CB-CD2 4.16Å; K1017-L1019 HydrophobicContact CB-CG 4.37Å; L1019-E1023 HydrophobicContact CB-CB 4.15Å; L1019-E1023 HydrophobicContact CD2-CB 4.28Å; L1019-V1024 HydrophobicContact CB-CG2 4.04Å; L1019-M1027 HydrophobicContact CD1-CE 3.39Å; L1019-M1027 HydrophobicContact CD1-SD 3.45Å; L1019-M1027 HydrophobicContact CD1-CG 4.47Å; L1019-M1027 WeakPolarHBondContact CD1-SD 3.4Å
1020S87Confident81.1Confident25 Ų2554.9 Ų54.918%0.17531%0.308CS..EExtended strand (participates in β ladder)trans-74.5161.5171.259.30000112.4D986 V1022 E1023 V1024D986-S1020 CarbonylContact O-C 3.57Å; D986-S1020 WeakPolarHBondContact O-CA 3.45Å; S1020-V1022 PolarHBondContact O-N 3.32Å; S1020-V1022 VanDerWaalsContact O-N 3.08Å; S1020-E1023 WeakPolarHBondContact CB-OE2 3.48Å; S1020-E1023 PolarHBondContact N-OE2 3.04Å; S1020-E1023 PolarHBondContact O-N 3.3Å; S1020-E1023 WeakPolarHBondContact OG-CG 3.46Å; S1020-E1023 PolarHBondContact OG-OE2 3.5Å; S1020-V1024 WeakPolarHBondContact O-CG2 3.33Å; S1020-V1024 PolarHBondContact O-N 2.88Å
1021S81.8Confident78.9Confident43 Ų4356.3 Ų56.330%0.30133%0.332SS..Hα-helixtrans-47.5-35.8172.4-69.40000113.6D986 Q1025D986-S1021 WeakPolarHBondContact CA-OG 3.48Å; D986-S1021 PolarHBondContact O-N 2.85Å; D986-S1021 PolarHBondContact O-OG 3.15Å; D986-S1021 PolarHBondContact OD1-OG 3.46Å; S1021-Q1025 VanDerWaalsContact O-CG 3.3Å; S1021-Q1025 VanDerWaalsContact O-N 3.13Å; S1021-Q1025 PolarHBondContact O-N 3.24Å; S1021-Q1025 WeakPolarHBondContact O-CG 3.38Å
1022V81.2Confident76.6Confident88 Ų8858 Ų5853%0.53333%0.334SS..Hα-helixtrans-70.1-41.5176.5-178.90000111.9S1020 Q1025 Q1026S1020-V1022 PolarHBondContact O-N 3.32Å; S1020-V1022 VanDerWaalsContact O-N 3.08Å; V1022-Q1025 PolarHBondContact O-N 3.36Å; V1022-Q1026 WeakPolarHBondContact O-CG 3.38Å; V1022-Q1026 PolarHBondContact O-N 3.47Å
1023E84.7Confident74.3Confident23 Ų2359.8 Ų59.811%0.10734%0.342CS..Hα-helixtrans-70.1-34.8177.8-67.9166.2103.900111.8R947 L1019 S1020 Q1025 Q1026 M1027R947-E1023 WeakPolarHBondContact CB-OE1 3.31Å; R947-E1023 WeakPolarHBondContact CD-OE1 3.37Å; L1019-E1023 HydrophobicContact CB-CB 4.15Å; L1019-E1023 HydrophobicContact CD2-CB 4.28Å; S1020-E1023 WeakPolarHBondContact CB-OE2 3.48Å; S1020-E1023 PolarHBondContact N-OE2 3.04Å; S1020-E1023 PolarHBondContact O-N 3.3Å; S1020-E1023 WeakPolarHBondContact OG-CG 3.46Å; S1020-E1023 PolarHBondContact OG-OE2 3.5Å; E1023-Q1025 VanDerWaalsContact C-N 3.31Å; E1023-Q1026 PolarHBondContact O-N 3.26Å; E1023-M1027 PolarHBondContact O-N 2.86Å; E1023-M1027 WeakPolarHBondContact O-CG 3.44Å
1024V79.2Confident71.7Confident21 Ų2162.3 Ų62.313%0.12737%0.369CS..Hα-helixtrans-64.1-37.5173.1173.70000111.3K988 L1019 S1020 S1028K988-V1024 HydrophobicContact CB-CG2 3.9Å; K988-V1024 HydrophobicContact CD-CG1 3.89Å; K988-V1024 HydrophobicContact CD-CG2 3.77Å; K988-V1024 HydrophobicContact CG-CG2 3.89Å; L1019-V1024 HydrophobicContact CB-CG2 4.04Å; S1020-V1024 WeakPolarHBondContact O-CG2 3.33Å; S1020-V1024 PolarHBondContact O-N 2.88Å; V1024-S1028 PolarHBondContact O-N 3.33Å; V1024-S1028 PolarHBondContact O-OG 3.3Å
1025Q73.4Confident68.8Low128 Ų12864.4 Ų64.460%0.59839%0.392SS*.Hα-helixtrans-67.4-42.9172.4-71.5168.412.600111.3S1021 V1022 E1023 M1027 S1028 L1029S1021-Q1025 VanDerWaalsContact O-CG 3.3Å; S1021-Q1025 VanDerWaalsContact O-N 3.13Å; S1021-Q1025 PolarHBondContact O-N 3.24Å; S1021-Q1025 WeakPolarHBondContact O-CG 3.38Å; V1022-Q1025 PolarHBondContact O-N 3.36Å; E1023-Q1025 VanDerWaalsContact C-N 3.31Å; Q1025-M1027 PolarHBondContact O-N 2.68Å; Q1025-S1028 WeakPolarHBondContact O-CB 3.39Å; Q1025-S1028 PolarHBondContact O-N 3.41Å; Q1025-L1029 VanDerWaalsContact O-CD1 3.29Å; Q1025-L1029 WeakPolarHBondContact O-CD1 3.38Å; Q1025-L1029 PolarHBondContact O-N 3.44Å
1026Q73Confident66.1Low78 Ų7867.8 Ų67.836%0.36441%0.407SS..Hα-helixtrans-59.7-45.6174.9-73.1172.6-7.100112.1V1022 E1023 S1028 L1029 D1030V1022-Q1026 WeakPolarHBondContact O-CG 3.38Å; V1022-Q1026 PolarHBondContact O-N 3.47Å; E1023-Q1026 PolarHBondContact O-N 3.26Å; Q1026-S1028 PolarHBondContact O-N 3.43Å; Q1026-S1028 VanDerWaalsContact O-N 3.13Å; Q1026-L1029 PolarHBondContact O-N 3.37Å; Q1026-D1030 PolarHBondContact O-N 3.5Å
1027M60.9Low63Low55 Ų5573.1 Ų73.127%0.27144%0.442SS..Hα-helixtrans-57.9-28.3173.3-69.7-158.5-46.600113.5I998 L1019 E1023 Q1025 L1029 L1033I998-M1027 HydrophobicContact CD1-SD 4.39Å; I998-M1027 HydrophobicContact CG2-SD 4.4Å; L1019-M1027 HydrophobicContact CD1-CE 3.39Å; L1019-M1027 HydrophobicContact CD1-SD 3.45Å; L1019-M1027 HydrophobicContact CD1-CG 4.47Å; L1019-M1027 WeakPolarHBondContact CD1-SD 3.4Å; E1023-M1027 PolarHBondContact O-N 2.86Å; E1023-M1027 WeakPolarHBondContact O-CG 3.44Å; Q1025-M1027 PolarHBondContact O-N 2.68Å; M1027-L1029 VanDerWaalsContact C-N 3.33Å; M1027-L1033 HydrophobicContact CG-CD1 3.78Å; M1027-L1033 HydrophobicContact CG-CG 4.44Å; M1027-L1033 HydrophobicContact SD-CD1 3.71Å
1028S60.2Low60.1Low95 Ų9580.4 Ų80.466%0.66448%0.477SS*.Hα-helixtrans-81.1-10.8-179.3-53.50000113.5V1024 Q1025 Q1026V1024-S1028 PolarHBondContact O-N 3.33Å; V1024-S1028 PolarHBondContact O-OG 3.3Å; Q1025-S1028 WeakPolarHBondContact O-CB 3.39Å; Q1025-S1028 PolarHBondContact O-N 3.41Å; Q1026-S1028 PolarHBondContact O-N 3.43Å; Q1026-S1028 VanDerWaalsContact O-N 3.13Å
1029L56.2Low57.1Low147 Ų14786.4 Ų86.477%0.7751%0.513SS*.Hα-helixtrans-105.4-46.5173.2-82.587.8000112.5Q1025 Q1026 M1027Q1025-L1029 VanDerWaalsContact O-CD1 3.29Å; Q1025-L1029 WeakPolarHBondContact O-CD1 3.38Å; Q1025-L1029 PolarHBondContact O-N 3.44Å; Q1026-L1029 PolarHBondContact O-N 3.37Å; M1027-L1029 VanDerWaalsContact C-N 3.33Å
1030D47.1Very low54.1Low119 Ų11995.7 Ų95.764%0.63656%0.557SS**Hα-helixtrans-90.5-21.4-165.4-66.5-47.9000114.5Q1026 D1032Q1026-D1030 PolarHBondContact O-N 3.5Å; D1030-D1032 PolarHBondContact O-N 2.97Å
1031G44.9Very low51.6Low77 Ų7798.7 Ų98.779%0.79458%0.583SS**  trans67.2-20.5172.200000117.6
1032D39.6Very low49Very low125 Ų125102.9 Ų102.967%0.66861%0.611SS**  trans-128.2121.8-177.5-173.8-2.3000111D1030 G1034D1030-D1032 PolarHBondContact O-N 2.97Å; D1032-G1034 WeakPolarHBondContact OD1-CA 3.43Å; D1032-G1034 PolarHBondContact OD1-N 3.21Å
1033L42.1Very low46.6Very low70 Ų70104.6 Ų104.637%0.36663%0.627SS.*  trans-105.237.3173.9-80.3179.5000112.3I998 M1027 I1036I998-L1033 HydrophobicContact CD1-CD1 4.02Å; M1027-L1033 HydrophobicContact CG-CD1 3.78Å; M1027-L1033 HydrophobicContact CG-CG 4.44Å; M1027-L1033 HydrophobicContact SD-CD1 3.71Å; L1033-I1036 HydrophobicContact CD2-CD1 3.83Å
1034G36.4Very low44Very low64 Ų64108.3 Ų108.366%0.6666%0.661SS**SBendtrans-73-36.317500000115D1032D1032-G1034 WeakPolarHBondContact OD1-CA 3.43Å; D1032-G1034 PolarHBondContact OD1-N 3.21Å
1035C30.9Very low41.9Very low117 Ų117112.7 Ų112.779%0.79169%0.693SS**  trans-150108.1-174.6-1670000114.1
1036I36.2Very low39.9Very low94 Ų94114.6 Ų114.648%0.48271%0.707SS.*  trans-139.3124.5163.9-56.2-179.7000108L1033L1033-I1036 HydrophobicContact CD2-CD1 3.83Å
1037P31.4Very low38.2Very low112 Ų112118.5 Ų118.573%0.72773%0.731SS**  trans-72.9142-171.227.2-34.8000114.3T1039P1037-T1039 PolarHBondContact O-N 3.32Å
1038Q32.2Very low36.9Very low196 Ų196119.5 Ų119.592%0.91675%0.747SS**  trans-8765.2178.8-68.6-170.5-104.100114.1
1039T29.7Very low35.7Very low127 Ų127122.2 Ų122.278%0.77976%0.755SS**  trans-154.999.4165.2390000114.1P1037P1037-T1039 PolarHBondContact O-N 3.32Å
1040Q29.2Very low34.7Very low206 Ų206118.9 Ų118.996%0.96375%0.748SS**  -168.1139.3126.3-109.5176.54.200109.9
1041A32.7Very low34Very low88 Ų88123.2 Ų123.273%0.72776%0.756SS**  trans-117.3141.517300000109
1042C28.6Very low33.4Very low131 Ų131130.3 Ų130.389%0.88576%0.758SS**  trans53.7102.3167.2-52.90000117.4
1043S30Very low33.3Very low124 Ų124132.8 Ų132.887%0.86780%0.796SS**  -147.4143114.4-1630000109.6
1044A30Very low32.9Very low101 Ų101135.9 Ų135.984%0.83582%0.818SS**  trans-114.5133.3174.800000108.9
1045S34.9Very low32.7Very low112 Ų112139.7 Ų139.778%0.78383%0.826SS**  trans-153.4114.217053.80000107.9
1046D32.4Very low32.8Very low168 Ų168140.9 Ų140.990%0.89883%0.828SS**  trans-57.2138.4163.9-72.5-69.1000109.6
1047D36Very low32.6Very low161 Ų161143.7 Ų143.786%0.86185%0.848SS**  -152.2148128.4-129.5-33.1000110.6
1048A34.6Very low32.7Very low75 Ų75145.7 Ų145.762%0.6286%0.856SS**  trans-97.2-178.8-174.200000112.2
1049N35.4Very low32.8Very low153 Ų153142.3 Ų142.382%0.81885%0.852SS**  trans81.3147.9-177.9-47.9-72.6000113.9
1050A34.5Very low33Very low77 Ų77143.4 Ų143.464%0.63686%0.857SS**  cis-160142.8-7.400000113
1051W32.2Very low33.3Very low210 Ų210138.6 Ų138.680%0.79585%0.849SS**  trans37.5118.5143.8-54.5108.9000122.5
1052R32.2Very low33.3Very low225 Ų225142.8 Ų142.885%0.84986%0.859SS**  trans58.1112.2136.4-58.7179.5-174.7-137.13.6119.8
1053A39Very low33.7Very low177 Ų177143.9 Ų143.9100%1.46386%0.857SS**  -127.30113.100000108.1

Retrieved 1,053 of 1,053 residues in 350.8 ms (Link to these results)

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