A0A3Q0KPW4_SCHMA Loading...

T-complex protein 1 subunit eta

Molecular chaperone; assists the folding of proteins upon ATP hydrolysis. Known to play a role, in vitro, in the folding of actin and tubulin.

AlphaFold DB , UniProt , Accession A0A3Q0KPW4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 542 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
1M45.5Very low68.8Low244 Ų244151.3 Ų151.3100%1.20277%0.771SS**  0102.80-75.4177178.100107.5Q3M1-Q3 PolarHBondContact O-N 3.27Å
2L56.5Low69.5Low178 Ų178151.8 Ų151.893%0.93277%0.768SS**PPolyproline II helixtrans-65.2121.3165.3-84.2130.8000106.6
3Q63Low70.3Confident180 Ų180145.2 Ų145.284%0.84176%0.762SS**PPolyproline II helixtrans-56.7131.3168.5-75.5-178.2-10.400107.4M1 A5M1-Q3 PolarHBondContact O-N 3.27Å; Q3-A5 PolarHBondContact O-N 3.31Å; Q3-A5 VanDerWaalsContact O-N 3.15Å
4P60.1Low71.1Confident121 Ų121136.4 Ų136.479%0.78672%0.716SS**PPolyproline II helixtrans-57.8124.7173.523.9-31.1000107.7R6P4-R6 PolarHBondContact O-N 3.3Å
5A68.6Low71.7Confident90 Ų90134.3 Ų134.374%0.74471%0.706SS**PPolyproline II helixtrans-53.4130.8174.400000108.4Q3 I7Q3-A5 PolarHBondContact O-N 3.31Å; Q3-A5 VanDerWaalsContact O-N 3.15Å; A5-I7 PolarHBondContact O-N 3.15Å
6R72.5Confident72.5Confident235 Ų235129.2 Ų129.289%0.88769%0.685SS**PPolyproline II helixtrans-55.2125.5174.2-73.6-177.5178.5179.5-0.7107.4P4 I8P4-R6 PolarHBondContact O-N 3.3Å; R6-I8 PolarHBondContact O-N 3.28Å
7I78.4Confident73.3Confident166 Ų166124.6 Ų124.685%0.85167%0.666SS**  trans-66.9104.4175.7-59.9172000106.3A5 L9A5-I7 PolarHBondContact O-N 3.15Å; I7-L9 PolarHBondContact O-N 3.47Å
8I76Confident74.2Confident111 Ų111125.6 Ų125.657%0.56967%0.666SS**  trans-75.1121.1173.9-47.8-178.8000106.7R6 L10 E12R6-I8 PolarHBondContact O-N 3.28Å; I8-L10 WeakPolarHBondContact CG2-O 3.33Å; I8-E12 HydrophobicContact CD1-CG 4.3Å
9L76.6Confident75.1Confident162 Ų162120.5 Ų120.585%0.84865%0.647SS**SBendtrans-76.3-36.7-173.8-160.2148000112I7I7-L9 PolarHBondContact O-N 3.47Å
10L81.2Confident75.9Confident58 Ų58118.3 Ų118.330%0.30463%0.634SS.*SBendtrans-109.3156.1176.9-60.4175.5000110.4I8 T14I8-L10 WeakPolarHBondContact CG2-O 3.33Å; L10-T14 HydrophobicContact CB-CG2 4.08Å; L10-T14 HydrophobicContact CD1-CG2 3.88Å; L10-T14 HydrophobicContact CD2-CG2 4.4Å; L10-T14 HydrophobicContact CG-CG2 4.35Å
11K78.8Confident76.6Confident119 Ų119117.2 Ų117.252%0.51763%0.633SS.*  trans-62.6144.1176.1-169.5178.1177.4-174.40109.5G13 T14 P524K11-G13 PolarHBondContact O-N 3.29Å; K11-T14 WeakPolarHBondContact O-CB 3.41Å; K11-T14 PolarHBondContact O-N 2.94Å; K11-T14 PolarHBondContact O-OG1 3.37Å; K11-P524 HydrophobicContact CD-CG 4.5Å
12E76.6Confident78.9Confident158 Ų158106.2 Ų106.274%0.73858%0.579SS**THydrogen-bonded Turntrans-55.1127.9171.1-74.8-175.8170.600110I8I8-E12 HydrophobicContact CD1-CG 4.3Å
13G79.6Confident80.6Confident66 Ų6697.9 Ų97.968%0.6854%0.535SS*.THydrogen-bonded Turntrans92.4-3.7-174.700000115.4K11 D15K11-G13 PolarHBondContact O-N 3.29Å; G13-D15 PolarHBondContact O-N 3.3Å
14T81.4Confident82.1Confident21 Ų2191.1 Ų91.113%0.12950%0.504CS..  trans-69.4119.1168.2-62.80000109.5L10 K11 I521 K522 N523 P524L10-T14 HydrophobicContact CB-CG2 4.08Å; L10-T14 HydrophobicContact CD1-CG2 3.88Å; L10-T14 HydrophobicContact CD2-CG2 4.4Å; L10-T14 HydrophobicContact CG-CG2 4.35Å; K11-T14 WeakPolarHBondContact O-CB 3.41Å; K11-T14 PolarHBondContact O-N 2.94Å; K11-T14 PolarHBondContact O-OG1 3.37Å; T14-I521 HydrophobicContact CG2-CG2 3.54Å; T14-K522 WeakPolarHBondContact CA-O 3.4Å; T14-N523 WeakPolarHBondContact CG2-OD1 3.45Å; T14-N523 PolarHBondContact OG1-OD1 3.06Å; T14-N523 VanDerWaalsContact OG1-OD1 3.12Å; T14-P524 WeakPolarHBondContact OG1-CD 3.35Å
15D80.9Confident83.7Confident105 Ų10588.1 Ų88.156%0.56149%0.486SS*.EExtended strand (participates in β ladder)trans-87.2123.7171.7-169.61.9000108.6G13 K522G13-D15 PolarHBondContact O-N 3.3Å; D15-K522 PolarHBondContact N-O 3.35Å; D15-K522 VanDerWaalsContact N-O 3.16Å; D15-K522 PolarHBondContact O-N 2.98Å
16S84Confident84.9Confident53 Ų5384.1 Ų84.137%0.37145%0.452SS..EExtended strand (participates in β ladder)trans-130.2119.2179.163.30000108.8
17S86.3Confident86Confident51 Ų5173 Ų7336%0.35741%0.41SS..EExtended strand (participates in β ladder)trans-126.9130.7177.2-75.20000108.9Q22 E519 T520S17-Q22 WeakPolarHBondContact O-CG 3.36Å; S17-Q22 PolarHBondContact O-OE1 3Å; S17-E519 WeakPolarHBondContact O-CA 3.49Å; S17-T520 PolarHBondContact N-O 2.75Å; S17-T520 PolarHBondContact O-N 3.27Å
18Q89.4Confident86.8Confident143 Ų14368.2 Ų68.267%0.66839%0.389SS*.EExtended strand (participates in β ladder)trans-134.4159.2-168.663.8178.3-28.400113.2D518 E519Q18-D518 CarbonylContact C-O 3.34Å; Q18-D518 VanDerWaalsContact CA-O 3.25Å; Q18-D518 WeakPolarHBondContact CA-O 3.42Å; Q18-E519 HydrophobicContact CB-CB 4.12Å; Q18-E519 HydrophobicContact CB-CG 3.96Å
19G90.9Very high87.6Confident29 Ų2963.9 Ų63.930%0.29937%0.37SS..SBendtrans80.9-162.2174.200000114.4P21 Q22 I23 D518G19-P21 VanDerWaalsContact C-CD 3.43Å; G19-P21 VanDerWaalsContact C-N 3.35Å; G19-Q22 WeakPolarHBondContact O-CB 3.37Å; G19-Q22 PolarHBondContact O-N 2.78Å; G19-I23 PolarHBondContact O-N 3.21Å; G19-D518 PolarHBondContact N-O 3.3Å
20I91.1Very high88.5Confident76 Ų7656.1 Ų56.139%0.3933%0.329SS..Hα-helixtrans-55.5-41-178.5-58.6173.2000112.9Q22 I23 I24I20-Q22 PolarHBondContact O-N 3.34Å; I20-I23 PolarHBondContact O-N 3.13Å; I20-I23 VanDerWaalsContact O-N 3.15Å; I20-I24 HydrophobicContact CG2-CD1 3.77Å; I20-I24 HydrophobicContact CG2-CG1 4.17Å; I20-I24 WeakPolarHBondContact O-CG1 3.22Å; I20-I24 PolarHBondContact O-N 2.92Å
21P91.5Very high89.2Confident95 Ų9555.1 Ų55.162%0.61732%0.323SS*.Hα-helixtrans-58.4-34.9176.7-25.936.2000113.5G19 I24 S25G19-P21 VanDerWaalsContact C-CD 3.43Å; G19-P21 VanDerWaalsContact C-N 3.35Å; P21-I24 PolarHBondContact O-N 3.41Å; P21-S25 WeakPolarHBondContact O-CB 3.38Å; P21-S25 PolarHBondContact O-N 2.9Å
22Q92.6Very high89.9Confident13 Ų1352.5 Ų52.56%0.06132%0.324CS..Hα-helixtrans-66.5-43.9176.4179.656.140.700111.5S17 G19 I20 I24 S25 N26 D518 T520S17-Q22 WeakPolarHBondContact O-CG 3.36Å; S17-Q22 PolarHBondContact O-OE1 3Å; G19-Q22 WeakPolarHBondContact O-CB 3.37Å; G19-Q22 PolarHBondContact O-N 2.78Å; I20-Q22 PolarHBondContact O-N 3.34Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-S25 WeakPolarHBondContact O-CB 3.37Å; Q22-S25 PolarHBondContact O-N 3.05Å; Q22-N26 PolarHBondContact NE2-OD1 3.48Å; Q22-N26 VanDerWaalsContact O-CG 3.26Å; Q22-N26 PolarHBondContact O-N 3.45Å; Q22-D518 WeakPolarHBondContact CB-O 3.45Å; Q22-T520 PolarHBondContact NE2-OG1 3.08Å
23I93.6Very high90.7Very high3 Ų345.9 Ų45.92%0.01529%0.294CS..Hα-helixtrans-62.9-44.8177.3-57174.3000109.8G19 I20 S25 N26 I27 L113 P119 L515 D518G19-I23 PolarHBondContact O-N 3.21Å; I20-I23 PolarHBondContact O-N 3.13Å; I20-I23 VanDerWaalsContact O-N 3.15Å; I23-S25 VanDerWaalsContact C-N 3.31Å; I23-S25 PolarHBondContact O-N 3.16Å; I23-N26 WeakPolarHBondContact O-CB 3.3Å; I23-N26 PolarHBondContact O-N 3.48Å; I23-I27 HydrophobicContact CG2-CD1 4.16Å; I23-I27 VanDerWaalsContact O-CG1 3.3Å; I23-I27 WeakPolarHBondContact O-CG1 3.47Å; I23-I27 PolarHBondContact O-N 3.27Å; I23-L113 HydrophobicContact CG2-CD1 3.59Å; I23-P119 HydrophobicContact CD1-CB 4.43Å; I23-P119 HydrophobicContact CD1-CG 3.6Å; I23-L515 HydrophobicContact CG2-CD2 4.14Å; I23-D518 HydrophobicContact CD1-CB 4.37Å
24I93.7Very high91.4Very high39 Ų3942.8 Ų42.820%0.226%0.262CS..Hα-helixtrans-61.1-41.7176.7-66.4173.1000111I20 P21 Q22 N26 I27 T28 E114I20-I24 HydrophobicContact CG2-CD1 3.77Å; I20-I24 HydrophobicContact CG2-CG1 4.17Å; I20-I24 WeakPolarHBondContact O-CG1 3.22Å; I20-I24 PolarHBondContact O-N 2.92Å; P21-I24 PolarHBondContact O-N 3.41Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; I24-N26 VanDerWaalsContact C-N 3.35Å; I24-N26 PolarHBondContact O-N 3.28Å; I24-I27 PolarHBondContact O-N 3.37Å; I24-T28 PolarHBondContact O-N 2.98Å; I24-T28 PolarHBondContact O-OG1 3.09Å; I24-E114 HydrophobicContact CD1-CG 3.9Å
25S93.5Very high92Very high58 Ų5845.8 Ų45.841%0.40628%0.277SS..Hα-helixtrans-60.2-43.6174.8-173.30000111.9P21 Q22 I23 I27 T28 A29P21-S25 WeakPolarHBondContact O-CB 3.38Å; P21-S25 PolarHBondContact O-N 2.9Å; Q22-S25 WeakPolarHBondContact O-CB 3.37Å; Q22-S25 PolarHBondContact O-N 3.05Å; I23-S25 VanDerWaalsContact C-N 3.31Å; I23-S25 PolarHBondContact O-N 3.16Å; S25-I27 VanDerWaalsContact C-N 3.35Å; S25-I27 PolarHBondContact O-N 2.94Å; S25-T28 PolarHBondContact O-N 3.1Å; S25-A29 PolarHBondContact O-N 2.9Å
26N94.5Very high92.6Very high5 Ų542.4 Ų42.43%0.02726%0.264CS..Hα-helixtrans-59.1-45.8175.2-69-17000111.3Q22 I23 I24 A29 C30 H74 A76Q22-N26 PolarHBondContact NE2-OD1 3.48Å; Q22-N26 VanDerWaalsContact O-CG 3.26Å; Q22-N26 PolarHBondContact O-N 3.45Å; I23-N26 WeakPolarHBondContact O-CB 3.3Å; I23-N26 PolarHBondContact O-N 3.48Å; I24-N26 VanDerWaalsContact C-N 3.35Å; I24-N26 PolarHBondContact O-N 3.28Å; N26-A29 PolarHBondContact O-N 3.32Å; N26-C30 PolarHBondContact O-N 3.44Å; N26-C30 VanDerWaalsContact O-N 3.07Å; N26-C30 PolarHBondContact O-SG 2.87Å; N26-C30 VanDerWaalsContact O-SG 3.34Å; N26-H74 PolarHBondContact OD1-CE1 3.26Å; N26-A76 HydrophobicContact CB-CB 3.64Å
27I95.4Very high93Very high2 Ų239.9 Ų39.91%0.0125%0.246CC..Hα-helixtrans-60.5-48.3178.2-64.2171.6000110.6I23 I24 S25 A29 C30 E31 L106 K110 L113I23-I27 HydrophobicContact CG2-CD1 4.16Å; I23-I27 VanDerWaalsContact O-CG1 3.3Å; I23-I27 WeakPolarHBondContact O-CG1 3.47Å; I23-I27 PolarHBondContact O-N 3.27Å; I24-I27 PolarHBondContact O-N 3.37Å; S25-I27 VanDerWaalsContact C-N 3.35Å; S25-I27 PolarHBondContact O-N 2.94Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 3.22Å; I27-C30 WeakPolarHBondContact O-CB 3.45Å; I27-C30 PolarHBondContact O-N 3.31Å; I27-C30 VanDerWaalsContact O-N 3.12Å; I27-E31 HydrophobicContact CG2-CG 4.37Å; I27-E31 WeakPolarHBondContact O-CG 3.28Å; I27-E31 PolarHBondContact O-N 3.27Å; I27-L106 HydrophobicContact CG1-CB 4.08Å; I27-L106 HydrophobicContact CG1-CD2 4.3Å; I27-L106 HydrophobicContact CG2-CB 4.08Å; I27-K110 HydrophobicContact CD1-CB 4.29Å; I27-L113 HydrophobicContact CD1-CD1 3.73Å
28T94.9Very high93.4Very high66 Ų6640.1 Ų40.141%0.40524%0.239SC..Hα-helixtrans-65.2-33.9-179.6-66.50000112.7I24 S25 E31 A32I24-T28 PolarHBondContact O-N 2.98Å; I24-T28 PolarHBondContact O-OG1 3.09Å; S25-T28 PolarHBondContact O-N 3.1Å; T28-E31 PolarHBondContact O-N 2.74Å; T28-A32 PolarHBondContact O-N 3.5Å; T28-A32 VanDerWaalsContact O-N 3.08Å
29A94Very high93.7Very high19 Ų1934.5 Ų34.516%0.15722%0.216CC..Hα-helixtrans-64.6-40.817200000112.2S25 N26 I27 A32 V33 H74S25-A29 PolarHBondContact O-N 2.9Å; N26-A29 PolarHBondContact O-N 3.32Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 3.22Å; A29-A32 PolarHBondContact O-N 3.36Å; A29-V33 PolarHBondContact O-N 3.34Å; A29-H74 HydrophobicContact CB-CB 4.31Å
30C95.5Very high93.8Very high0 Ų033.2 Ų33.20%020%0.202CC..Hα-helixtrans-65.7-40.6174.3-68.90000112.3N26 I27 A32 V33 S34 A76 L80 T103 L106 L514N26-C30 PolarHBondContact O-N 3.44Å; N26-C30 VanDerWaalsContact O-N 3.07Å; N26-C30 PolarHBondContact O-SG 2.87Å; N26-C30 VanDerWaalsContact O-SG 3.34Å; I27-C30 WeakPolarHBondContact O-CB 3.45Å; I27-C30 PolarHBondContact O-N 3.31Å; I27-C30 VanDerWaalsContact O-N 3.12Å; C30-A32 VanDerWaalsContact C-N 3.34Å; C30-A32 PolarHBondContact O-N 2.97Å; C30-V33 PolarHBondContact O-N 3.13Å; C30-S34 WeakPolarHBondContact O-CB 3.49Å; C30-S34 PolarHBondContact O-N 3.47Å; C30-A76 PolarHBondContact SG-O 3.27Å; C30-L80 HydrophobicContact CB-CD1 3.7Å; C30-L80 HydrophobicContact CB-CG 4.43Å; C30-T103 HydrophobicContact CB-CG2 4.41Å; C30-L106 HydrophobicContact CB-CD1 4.11Å; C30-L514 WeakPolarHBondContact SG-CD1 3.32Å
31E95.3Very high93.9Very high36 Ų3630.1 Ų30.117%0.16819%0.186CC..Hα-helixtrans-55.8-47.4173.6-72.8178148.300111.4I27 T28 V33 S34 D35 T103 K107I27-E31 HydrophobicContact CG2-CG 4.37Å; I27-E31 WeakPolarHBondContact O-CG 3.28Å; I27-E31 PolarHBondContact O-N 3.27Å; T28-E31 PolarHBondContact O-N 2.74Å; E31-V33 PolarHBondContact O-N 3.04Å; E31-S34 PolarHBondContact O-N 2.85Å; E31-D35 WeakPolarHBondContact O-CB 3.44Å; E31-D35 VanDerWaalsContact O-CG 3.3Å; E31-D35 PolarHBondContact O-N 3.2Å; E31-T103 HydrophobicContact CB-CG2 4.38Å; E31-T103 HydrophobicContact CG-CG2 3.95Å; E31-K107 WeakPolarHBondContact OE1-CG 3.3Å
32A93.9Very high93.8Very high65 Ų6526.1 Ų26.154%0.53716%0.162SC..Hα-helixtrans-60.9-41.5179.200000113T28 A29 C30 A36T28-A32 PolarHBondContact O-N 3.5Å; T28-A32 VanDerWaalsContact O-N 3.08Å; A29-A32 PolarHBondContact O-N 3.36Å; C30-A32 VanDerWaalsContact C-N 3.34Å; C30-A32 PolarHBondContact O-N 2.97Å; A32-A36 PolarHBondContact O-N 3.4Å
33V93.3Very high93.4Very high18 Ų1828.1 Ų28.111%0.10918%0.176CC..Hα-helixtrans-71.3-39.6177170.90000111.7A29 C30 E31 D35 A36 L67 I72 A77 L80A29-V33 PolarHBondContact O-N 3.34Å; C30-V33 PolarHBondContact O-N 3.13Å; E31-V33 PolarHBondContact O-N 3.04Å; V33-D35 VanDerWaalsContact C-N 3.31Å; V33-D35 PolarHBondContact O-N 3.15Å; V33-A36 WeakPolarHBondContact O-CB 3.32Å; V33-A36 PolarHBondContact O-N 3.17Å; V33-L67 HydrophobicContact CG1-CD2 3.3Å; V33-I72 HydrophobicContact CG1-CD1 4.07Å; V33-I72 HydrophobicContact CG2-CD1 4.25Å; V33-I72 HydrophobicContact CG2-CG1 4.45Å; V33-A77 HydrophobicContact CB-CB 4.5Å; V33-A77 HydrophobicContact CG2-CB 3.69Å; V33-L80 HydrophobicContact CB-CD1 4.36Å; V33-L80 HydrophobicContact CG1-CD1 4.31Å
34S94.2Very high93Very high1 Ų133.4 Ų33.41%0.00720%0.196CC..Hα-helixtrans-62.4-39.1175.1-173.80000111.8C30 E31 A36 V37 R38 T103C30-S34 WeakPolarHBondContact O-CB 3.49Å; C30-S34 PolarHBondContact O-N 3.47Å; E31-S34 PolarHBondContact O-N 2.85Å; S34-A36 PolarHBondContact O-N 3.45Å; S34-V37 WeakPolarHBondContact O-CG2 3.3Å; S34-V37 PolarHBondContact O-N 2.78Å; S34-R38 WeakPolarHBondContact O-CA 3.46Å; S34-R38 VanDerWaalsContact O-CB 3.23Å; S34-R38 WeakPolarHBondContact O-CB 3.45Å; S34-R38 PolarHBondContact O-N 2.98Å; S34-T103 WeakPolarHBondContact CB-OG1 3.45Å
35D93.8Very high92.8Very high84 Ų8432.3 Ų32.345%0.44919%0.194SC..Hα-helixtrans-65.5-28.2178.9-73.9-15.7000112.2E31 V33 R38E31-D35 WeakPolarHBondContact O-CB 3.44Å; E31-D35 VanDerWaalsContact O-CG 3.3Å; E31-D35 PolarHBondContact O-N 3.2Å; V33-D35 VanDerWaalsContact C-N 3.31Å; V33-D35 PolarHBondContact O-N 3.15Å; D35-R38 IonicContact OD1-CZ 3.32Å; D35-R38 VanDerWaalsContact OD1-CZ 3.31Å; D35-R38 IonicContact OD1-NE 2.66Å; D35-R38 PolarHBondContact OD1-NE 2.95Å; D35-R38 IonicContact OD1-NH2 3.45Å; D35-R38 PolarHBondContact OD1-NH2 3.15Å
36A92.7Very high92.6Very high35 Ų3535.3 Ų35.329%0.28920%0.203SC..Hα-helixtrans-64.6-38.717400000112.6A32 V33 S34 K48 L70A32-A36 PolarHBondContact O-N 3.4Å; V33-A36 WeakPolarHBondContact O-CB 3.32Å; V33-A36 PolarHBondContact O-N 3.17Å; S34-A36 PolarHBondContact O-N 3.45Å; A36-K48 WeakPolarHBondContact O-CE 3.25Å; A36-K48 PolarHBondContact O-NZ 3.16Å; A36-L70 HydrophobicContact CB-CD1 4.39Å
37V93.9Very high92.5Very high0 Ų038 Ų380%022%0.218CC..Hα-helixtrans-96.1-17.3-178.8-620000113.8S34 S39 T40 I66 L67 T96 T99S34-V37 WeakPolarHBondContact O-CG2 3.3Å; S34-V37 PolarHBondContact O-N 2.78Å; V37-S39 PolarHBondContact O-N 3.47Å; V37-S39 VanDerWaalsContact O-N 3.12Å; V37-T40 PolarHBondContact O-N 3.11Å; V37-T40 PolarHBondContact O-OG1 3.49Å; V37-T40 VanDerWaalsContact O-OG1 3.11Å; V37-I66 HydrophobicContact CG1-CB 4.29Å; V37-I66 HydrophobicContact CG1-CG2 3.79Å; V37-L67 HydrophobicContact CG1-CD2 3.92Å; V37-L67 HydrophobicContact CG1-CG 3.95Å; V37-T96 HydrophobicContact CB-CG2 4.32Å; V37-T96 HydrophobicContact CG2-CG2 4.45Å; V37-T96 WeakPolarHBondContact O-CG2 3.45Å; V37-T99 HydrophobicContact CG2-CG2 3.99Å
38R94.6Very high92.3Very high55 Ų5540.6 Ų40.621%0.20823%0.229CC..Hα-helixtrans-49.8-41.9-176.4175.1-170.2-69.2-951.9113.7S34 D35 T40 L41 L100 Q449 N453S34-R38 WeakPolarHBondContact O-CA 3.46Å; S34-R38 VanDerWaalsContact O-CB 3.23Å; S34-R38 WeakPolarHBondContact O-CB 3.45Å; S34-R38 PolarHBondContact O-N 2.98Å; D35-R38 IonicContact OD1-CZ 3.32Å; D35-R38 VanDerWaalsContact OD1-CZ 3.31Å; D35-R38 IonicContact OD1-NE 2.66Å; D35-R38 PolarHBondContact OD1-NE 2.95Å; D35-R38 IonicContact OD1-NH2 3.45Å; D35-R38 PolarHBondContact OD1-NH2 3.15Å; R38-T40 PolarHBondContact O-N 3.05Å; R38-L41 PolarHBondContact O-N 3.35Å; R38-L100 HydrophobicContact CB-CD2 3.93Å; R38-L100 HydrophobicContact CG-CD2 3.93Å; R38-Q449 HydrophobicContact CG-CG 3.79Å; R38-Q449 VanDerWaalsContact NH1-OE1 3.17Å; R38-Q449 WeakPolarHBondContact O-CG 3.18Å; R38-N453 PolarHBondContact O-ND2 3.44Å; R38-N453 VanDerWaalsContact O-ND2 3.09Å
39S94.5Very high92.2Very high26 Ų2642.7 Ų42.718%0.18224%0.237CC..THydrogen-bonded Turntrans-72.4-11.9-177.973.10000113.8V37 G45 M46 K48 N453V37-S39 PolarHBondContact O-N 3.47Å; V37-S39 VanDerWaalsContact O-N 3.12Å; S39-G45 CarbonylContact O-C 3.58Å; S39-G45 WeakPolarHBondContact O-CA 3.48Å; S39-M46 PolarHBondContact O-N 2.66Å; S39-K48 WeakPolarHBondContact OG-CE 3.39Å; S39-K48 PolarHBondContact OG-NZ 2.88Å; S39-N453 PolarHBondContact O-ND2 3Å
40T92.7Very high92.1Very high1 Ų143.1 Ų43.11%0.00624%0.236CC..THydrogen-bonded Turntrans-84.8-12.6-179.882.80000112.6V37 R38 G42 M46 K48 N61 I66 T96V37-T40 PolarHBondContact O-N 3.11Å; V37-T40 PolarHBondContact O-OG1 3.49Å; V37-T40 VanDerWaalsContact O-OG1 3.11Å; R38-T40 PolarHBondContact O-N 3.05Å; T40-G42 PolarHBondContact O-N 3.39Å; T40-M46 VanDerWaalsContact CG2-O 3.31Å; T40-M46 WeakPolarHBondContact CG2-O 3.5Å; T40-K48 HydrophobicContact CG2-CG 3.91Å; T40-N61 WeakPolarHBondContact CB-O 3.34Å; T40-N61 PolarHBondContact O-OD1 3.25Å; T40-N61 VanDerWaalsContact O-OD1 3.06Å; T40-N61 PolarHBondContact OG1-O 3.3Å; T40-I66 HydrophobicContact CG2-CD1 3.61Å; T40-T96 WeakPolarHBondContact OG1-CG2 3.49Å; T40-T96 PolarHBondContact OG1-OG1 3.03Å
41L93Very high91.9Very high12 Ų1248.4 Ų48.46%0.06326%0.264CS..  trans-66.9126.1-178.4-173.177.4000112.4R38 T96 S97 L100 I446 Q449 L450 N453R38-L41 PolarHBondContact O-N 3.35Å; L41-T96 HydrophobicContact CB-CG2 4.11Å; L41-T96 HydrophobicContact CD1-CG2 4.35Å; L41-S97 VanDerWaalsContact CD1-OG 3.27Å; L41-S97 WeakPolarHBondContact CD1-OG 3.35Å; L41-L100 HydrophobicContact CB-CD1 4.01Å; L41-L100 HydrophobicContact CD1-CD1 4.26Å; L41-L100 HydrophobicContact CD2-CD1 3.97Å; L41-L100 HydrophobicContact CG-CD1 4.29Å; L41-I446 HydrophobicContact CD2-CD1 4.11Å; L41-I446 HydrophobicContact CD2-CG2 4.38Å; L41-Q449 HydrophobicContact CB-CG 4.26Å; L41-Q449 HydrophobicContact CD2-CB 3.81Å; L41-Q449 HydrophobicContact CD2-CG 4.02Å; L41-L450 HydrophobicContact CD2-CD2 4.21Å; L41-L450 HydrophobicContact CD2-CG 4.22Å; L41-L450 HydrophobicContact CG-CD2 4.08Å; L41-N453 PolarHBondContact O-ND2 3.13Å
42G89.5Confident91.7Very high10 Ų1049.8 Ų49.810%0.10327%0.272CS..SBendtrans100.716716600000115.2T40 R44 G45 S166T40-G42 PolarHBondContact O-N 3.39Å; G42-R44 PolarHBondContact O-N 3.34Å; G42-R44 VanDerWaalsContact O-N 3.12Å; G42-G45 WeakPolarHBondContact O-CA 3.44Å; G42-G45 PolarHBondContact O-N 3.11Å; G42-S166 WeakPolarHBondContact O-CB 3.35Å
43P84.9Confident91.5Very high56 Ų5655.1 Ų55.136%0.36429%0.292SS..THydrogen-bonded Turntrans-48.2-35.7-179.6-33.532.9000116.7S165 I480P43-S165 WeakPolarHBondContact CA-O 3.25Å; P43-I480 HydrophobicContact CB-CD1 4Å; P43-I480 HydrophobicContact CB-CG2 4.46Å; P43-I480 HydrophobicContact CG-CD1 3.58Å
44R86.2Confident91.4Very high114 Ų11463.4 Ų63.443%0.4333%0.326SS..THydrogen-bonded Turntrans-10529.9176.2-67.4-176.3-179.5168.93.6111.8G42 I480 E483G42-R44 PolarHBondContact O-N 3.34Å; G42-R44 VanDerWaalsContact O-N 3.12Å; R44-I480 HydrophobicContact CB-CG2 4.49Å; R44-I480 HydrophobicContact CG-CG2 3.78Å; R44-E483 IonicContact CZ-OE1 3.96Å; R44-E483 IonicContact NH1-OE1 3.99Å; R44-E483 PolarHBondContact NH1-OE1 3.5Å; R44-E483 IonicContact NH2-OE1 2.73Å
45G88.3Confident91.2Very high15 Ų1566 Ų6616%0.15535%0.353CS..PPolyproline II helixtrans-62.6149.3176.300000111.9S39 G42S39-G45 CarbonylContact O-C 3.58Å; S39-G45 WeakPolarHBondContact O-CA 3.48Å; G42-G45 WeakPolarHBondContact O-CA 3.44Å; G42-G45 PolarHBondContact O-N 3.11Å
46M90.6Very high91Very high121 Ų12166.8 Ų66.860%0.59635%0.352SS*.PPolyproline II helixtrans-90.9128.8178.5-61.6-66.5-69.200110.4S39 T40S39-M46 PolarHBondContact O-N 2.66Å; T40-M46 VanDerWaalsContact CG2-O 3.31Å; T40-M46 WeakPolarHBondContact CG2-O 3.5Å
47D91Very high90.9Very high62 Ų6266.7 Ų66.733%0.33235%0.352SS..PPolyproline II helixtrans-73.2157.1177-58.4-36.1000112.6I59 N61 L168D47-I59 HydrophobicContact CB-CG2 3.97Å; D47-N61 WeakPolarHBondContact OD1-CB 3.37Å; D47-N61 PolarHBondContact OD1-ND2 3.18Å; D47-L168 WeakPolarHBondContact OD2-CD2 3.43Å
48K91.5Very high90.7Very high56 Ų5667.4 Ų67.424%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-112.4128.6175-55.3-64.9169.1160.40109.7A36 S39 T40 I50 I59 S60 I66A36-K48 WeakPolarHBondContact O-CE 3.25Å; A36-K48 PolarHBondContact O-NZ 3.16Å; S39-K48 WeakPolarHBondContact OG-CE 3.39Å; S39-K48 PolarHBondContact OG-NZ 2.88Å; T40-K48 HydrophobicContact CG2-CG 3.91Å; K48-I50 HydrophobicContact CB-CG1 4.45Å; K48-I59 WeakPolarHBondContact O-CA 3.4Å; K48-S60 PolarHBondContact N-O 3.2Å; K48-S60 PolarHBondContact O-N 3.32Å; K48-I66 HydrophobicContact CB-CD1 4.02Å; K48-I66 HydrophobicContact CB-CG1 4.12Å; K48-I66 HydrophobicContact CG-CD1 3.64Å; K48-I66 HydrophobicContact CG-CG1 4.2Å
49L92.5Very high90.5Very high111 Ų11167 Ų6758%0.58136%0.357SS*.EExtended strand (participates in β ladder)trans-95.3115168.2175.565.9000108.3A57 I59L49-A57 HydrophobicContact CD1-CB 4Å; L49-I59 HydrophobicContact CD1-CD1 4.41Å; L49-I59 HydrophobicContact CD1-CG1 3.66Å
50I91.9Very high90.3Very high27 Ų2765.9 Ų65.914%0.13835%0.35CS..EExtended strand (participates in β ladder)trans-115.4133.6178.4-54.7174000108.1K48 T58 I66 L69K48-I50 HydrophobicContact CB-CG1 4.45Å; I50-T58 PolarHBondContact N-O 3.14Å; I50-T58 PolarHBondContact O-N 3.06Å; I50-I66 HydrophobicContact CD1-CB 4.27Å; I50-I66 HydrophobicContact CD1-CG1 4.3Å; I50-I66 HydrophobicContact CD1-CG2 4.01Å; I50-L69 HydrophobicContact CB-CD1 4.35Å; I50-L69 HydrophobicContact CD1-CB 3.88Å; I50-L69 HydrophobicContact CD1-CD1 4.13Å; I50-L69 HydrophobicContact CG2-CB 3.96Å
51I92.7Very high90.1Very high112 Ų11266.1 Ų66.157%0.57435%0.351SS*.EExtended strand (participates in β ladder)trans-114.2122176.7-57.9174000106.5K56 A57I51-K56 WeakPolarHBondContact CA-O 3.45Å; I51-A57 HydrophobicContact CG1-CB 4.49Å
52D89.9Confident89.8Confident64 Ų6466 Ų6634%0.34235%0.35SS..  trans-76171.9175.473.85.6000111.9K54 G55 K56D52-K54 PolarHBondContact O-N 3.32Å; D52-K54 VanDerWaalsContact OD1-C 3.31Å; D52-K54 WeakPolarHBondContact OD1-CA 3.49Å; D52-K54 WeakPolarHBondContact OD1-CB 3.42Å; D52-K54 PolarHBondContact OD1-N 2.82Å; D52-G55 PolarHBondContact O-N 3.35Å; D52-G55 PolarHBondContact OD1-N 3.26Å; D52-K56 PolarHBondContact N-O 3.22Å; D52-K56 VanDerWaalsContact N-O 3.15Å; D52-K56 WeakPolarHBondContact OD1-CB 3.46Å; D52-K56 PolarHBondContact OD1-N 3.04Å; D52-K56 WeakPolarHBondContact OD2-CB 3.37Å
53D90.2Very high89.8Confident178 Ų17865.6 Ų65.695%0.95235%0.346SS*.THydrogen-bonded Turntrans-60.4-16178.3-61.7-32.3000113.6
54K91.2Very high90Very high192 Ų19263 Ų6384%0.83533%0.329SS*.THydrogen-bonded Turntrans-93-3178-60.3179.8-178.31760112.6D52D52-K54 PolarHBondContact O-N 3.32Å; D52-K54 VanDerWaalsContact OD1-C 3.31Å; D52-K54 WeakPolarHBondContact OD1-CA 3.49Å; D52-K54 WeakPolarHBondContact OD1-CB 3.42Å; D52-K54 PolarHBondContact OD1-N 2.82Å
55G89.6Confident90.2Very high55 Ų5558.2 Ų58.257%0.56731%0.312SS*.  trans81.710.4-176.900000114.6D52 A57D52-G55 PolarHBondContact O-N 3.35Å; D52-G55 PolarHBondContact OD1-N 3.26Å; G55-A57 PolarHBondContact O-N 3.33Å
56K89.2Confident90.4Very high101 Ų10157.6 Ų57.644%0.43931%0.306SS..  trans-73.5117.5172.8-172.5-179.9177.5179.30109I51 D52 E384I51-K56 WeakPolarHBondContact CA-O 3.45Å; D52-K56 PolarHBondContact N-O 3.22Å; D52-K56 VanDerWaalsContact N-O 3.15Å; D52-K56 WeakPolarHBondContact OD1-CB 3.46Å; D52-K56 PolarHBondContact OD1-N 3.04Å; D52-K56 WeakPolarHBondContact OD2-CB 3.37Å; K56-E384 IonicContact NZ-OE1 2.79Å; K56-E384 PolarHBondContact NZ-OE1 3.2Å; K56-E384 IonicContact NZ-OE2 2.61Å
57A91Very high90.5Very high33 Ų3352 Ų5227%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-83.7125.9173.600000110.9L49 I51 G55L49-A57 HydrophobicContact CD1-CB 4Å; I51-A57 HydrophobicContact CG1-CB 4.49Å; G55-A57 PolarHBondContact O-N 3.33Å
58T89.4Confident90.6Very high15 Ų1553 Ų539%0.09228%0.279CS..EExtended strand (participates in β ladder)trans-122.2129.3172.3-60.60000109.5I50 L69I50-T58 PolarHBondContact N-O 3.14Å; I50-T58 PolarHBondContact O-N 3.06Å; T58-L69 HydrophobicContact CG2-CD1 3.81Å
59I91.1Very high90.6Very high46 Ų4653.8 Ų53.824%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-103.8129.8172.3-60170.9000106.8D47 K48 L49 L168 Q381D47-I59 HydrophobicContact CB-CG2 3.97Å; K48-I59 WeakPolarHBondContact O-CA 3.4Å; L49-I59 HydrophobicContact CD1-CD1 4.41Å; L49-I59 HydrophobicContact CD1-CG1 3.66Å; I59-L168 HydrophobicContact CG2-CD1 4.28Å; I59-Q381 HydrophobicContact CD1-CB 4.43Å
60S89.2Confident90.5Very high3 Ų351.6 Ų51.62%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-151.8151.4173.8-161.60000112.9K48 D62 E385 R388K48-S60 PolarHBondContact N-O 3.2Å; K48-S60 PolarHBondContact O-N 3.32Å; S60-D62 PolarHBondContact OG-N 3.41Å; S60-E385 WeakPolarHBondContact CA-OE2 3.48Å; S60-E385 WeakPolarHBondContact CB-OE2 2.94Å; S60-E385 PolarHBondContact OG-OE2 3.42Å; S60-R388 PolarHBondContact OG-NH1 2.84Å; S60-R388 VanDerWaalsContact OG-NH1 3.12Å
61N88.6Confident90.5Very high6 Ų657.6 Ų57.63%0.03231%0.307CS..  trans-99.3-24.4168.9-163-87.4000112.1T40 D47 G63 S166 E385T40-N61 WeakPolarHBondContact CB-O 3.34Å; T40-N61 PolarHBondContact O-OD1 3.25Å; T40-N61 VanDerWaalsContact O-OD1 3.06Å; T40-N61 PolarHBondContact OG1-O 3.3Å; D47-N61 WeakPolarHBondContact OD1-CB 3.37Å; D47-N61 PolarHBondContact OD1-ND2 3.18Å; N61-G63 PolarHBondContact O-N 3.21Å; N61-S166 PolarHBondContact ND2-O 3.35Å; N61-S166 PolarHBondContact OD1-O 2.92Å; N61-E385 PolarHBondContact N-OE1 2.92Å
62D87.2Confident90.4Very high10 Ų1053.8 Ų53.85%0.05329%0.287CS..  trans-69.7121.6-175.2166.743.2000111.9S60 A64 T65 I66 T95S60-D62 PolarHBondContact OG-N 3.41Å; D62-A64 VanDerWaalsContact C-N 3.28Å; D62-A64 PolarHBondContact O-N 2.84Å; D62-A64 PolarHBondContact OD1-N 3.27Å; D62-A64 VanDerWaalsContact OD1-N 3.13Å; D62-T65 PolarHBondContact O-N 2.85Å; D62-T65 WeakPolarHBondContact OD2-CB 3.34Å; D62-T65 PolarHBondContact OD2-N 3.4Å; D62-T65 PolarHBondContact OD2-OG1 3.12Å; D62-I66 WeakPolarHBondContact O-CD1 3.38Å; D62-I66 WeakPolarHBondContact O-CG1 3.44Å; D62-I66 PolarHBondContact O-N 3.49Å; D62-T95 PolarHBondContact OD1-OG1 3.01Å
63G89.1Confident90.3Very high0 Ų055.5 Ų55.50%030%0.3CS..Hα-helixtrans-58.7-36.9179.800000113.1N61 I66 L67 T95 T96N61-G63 PolarHBondContact O-N 3.21Å; G63-I66 PolarHBondContact O-N 3.49Å; G63-L67 VanDerWaalsContact O-CB 3.31Å; G63-L67 WeakPolarHBondContact O-CB 3.34Å; G63-L67 WeakPolarHBondContact O-CG 3.37Å; G63-L67 PolarHBondContact O-N 2.88Å; G63-T95 PolarHBondContact N-OG1 3.37Å; G63-T96 WeakPolarHBondContact CA-OG1 3.41Å; G63-T96 PolarHBondContact N-OG1 3.41Å
64A90.7Very high90.4Very high1 Ų149.8 Ų49.81%0.00827%0.267CS..Hα-helixtrans-67.3-41.7179.900000111.6D62 K68 A84 D88 T95D62-A64 VanDerWaalsContact C-N 3.28Å; D62-A64 PolarHBondContact O-N 2.84Å; D62-A64 PolarHBondContact OD1-N 3.27Å; D62-A64 VanDerWaalsContact OD1-N 3.13Å; A64-K68 WeakPolarHBondContact O-CB 3.42Å; A64-K68 WeakPolarHBondContact O-CD 3.35Å; A64-K68 WeakPolarHBondContact O-CG 3.29Å; A64-K68 PolarHBondContact O-N 3.05Å; A64-A84 HydrophobicContact CB-CB 4.33Å; A64-D88 HydrophobicContact CB-CB 3.84Å; A64-T95 HydrophobicContact CB-CG2 3.71Å
65T89.9Confident90.4Very high14 Ų1444.3 Ų44.39%0.08625%0.251CS..Hα-helixtrans-65.6-46.3175.6-61.30000111.8D62 L67 K68 L69 R388D62-T65 PolarHBondContact O-N 2.85Å; D62-T65 WeakPolarHBondContact OD2-CB 3.34Å; D62-T65 PolarHBondContact OD2-N 3.4Å; D62-T65 PolarHBondContact OD2-OG1 3.12Å; T65-L67 VanDerWaalsContact C-N 3.34Å; T65-L67 PolarHBondContact O-N 3.15Å; T65-K68 WeakPolarHBondContact O-CB 3.5Å; T65-K68 PolarHBondContact O-N 3.06Å; T65-K68 VanDerWaalsContact O-N 3.16Å; T65-L69 HydrophobicContact CG2-CD1 4.07Å; T65-L69 WeakPolarHBondContact O-CG 3.49Å; T65-L69 PolarHBondContact O-N 2.88Å; T65-L69 VanDerWaalsContact O-N 3.13Å; T65-R388 VanDerWaalsContact CG2-NH2 3.35Å; T65-R388 VanDerWaalsContact OG1-CD 3.24Å; T65-R388 WeakPolarHBondContact OG1-CD 3.39Å; T65-R388 PolarHBondContact OG1-NE 3.19Å
66I92.7Very high90.5Very high3 Ų341.9 Ų41.92%0.01523%0.226CC..Hα-helixtrans-57.1-50.5177.8-69.5160.4000110.1V37 T40 K48 I50 D62 G63 K68 L69 L70V37-I66 HydrophobicContact CG1-CB 4.29Å; V37-I66 HydrophobicContact CG1-CG2 3.79Å; T40-I66 HydrophobicContact CG2-CD1 3.61Å; K48-I66 HydrophobicContact CB-CD1 4.02Å; K48-I66 HydrophobicContact CB-CG1 4.12Å; K48-I66 HydrophobicContact CG-CD1 3.64Å; K48-I66 HydrophobicContact CG-CG1 4.2Å; I50-I66 HydrophobicContact CD1-CB 4.27Å; I50-I66 HydrophobicContact CD1-CG1 4.3Å; I50-I66 HydrophobicContact CD1-CG2 4.01Å; D62-I66 WeakPolarHBondContact O-CD1 3.38Å; D62-I66 WeakPolarHBondContact O-CG1 3.44Å; D62-I66 PolarHBondContact O-N 3.49Å; G63-I66 PolarHBondContact O-N 3.49Å; I66-K68 VanDerWaalsContact C-N 3.28Å; I66-K68 PolarHBondContact O-N 3.31Å; I66-L69 PolarHBondContact O-N 3.26Å; I66-L69 VanDerWaalsContact O-N 3.12Å; I66-L70 HydrophobicContact CG2-CD1 3.99Å; I66-L70 HydrophobicContact CG2-CG 4.44Å; I66-L70 WeakPolarHBondContact O-CG 3.36Å; I66-L70 PolarHBondContact O-N 3.07Å; I66-L70 VanDerWaalsContact O-N 3.1Å
67L92.8Very high90.7Very high2 Ų237.1 Ų37.11%0.0121%0.206CC..Hα-helixtrans-66.1-26.4179.9-68.1174.4000113.6V33 V37 G63 T65 L70 I72 V81 A84 T99V33-L67 HydrophobicContact CG1-CD2 3.3Å; V37-L67 HydrophobicContact CG1-CD2 3.92Å; V37-L67 HydrophobicContact CG1-CG 3.95Å; G63-L67 VanDerWaalsContact O-CB 3.31Å; G63-L67 WeakPolarHBondContact O-CB 3.34Å; G63-L67 WeakPolarHBondContact O-CG 3.37Å; G63-L67 PolarHBondContact O-N 2.88Å; T65-L67 VanDerWaalsContact C-N 3.34Å; T65-L67 PolarHBondContact O-N 3.15Å; L67-L70 HydrophobicContact CD2-CD1 4.5Å; L67-I72 HydrophobicContact CD2-CD1 4Å; L67-V81 HydrophobicContact CB-CG1 4.19Å; L67-V81 HydrophobicContact CB-CG2 4.21Å; L67-A84 HydrophobicContact CD1-CB 3.66Å; L67-T99 HydrophobicContact CD1-CG2 4.24Å
68K91.3Very high90.8Very high83 Ų8343 Ų4336%0.36122%0.221SC..Hα-helixtrans-71.3-32.3173.2-77.2163.1-169.1167.40112.3A64 T65 I66 R85 D88A64-K68 WeakPolarHBondContact O-CB 3.42Å; A64-K68 WeakPolarHBondContact O-CD 3.35Å; A64-K68 WeakPolarHBondContact O-CG 3.29Å; A64-K68 PolarHBondContact O-N 3.05Å; T65-K68 WeakPolarHBondContact O-CB 3.5Å; T65-K68 PolarHBondContact O-N 3.06Å; T65-K68 VanDerWaalsContact O-N 3.16Å; I66-K68 VanDerWaalsContact C-N 3.28Å; I66-K68 PolarHBondContact O-N 3.31Å; K68-R85 HydrophobicContact CG-CG 4.28Å; K68-D88 IonicContact NZ-OD2 3.59Å; K68-D88 PolarHBondContact NZ-OD2 3.32Å
69L91.8Very high90.9Very high73 Ų7343.6 Ų43.638%0.38222%0.224SC..Hα-helixtrans-87.8-22.4-176.8-66.5173.5000113.1I50 T58 T65 I66I50-L69 HydrophobicContact CB-CD1 4.35Å; I50-L69 HydrophobicContact CD1-CB 3.88Å; I50-L69 HydrophobicContact CD1-CD1 4.13Å; I50-L69 HydrophobicContact CG2-CB 3.96Å; T58-L69 HydrophobicContact CG2-CD1 3.81Å; T65-L69 HydrophobicContact CG2-CD1 4.07Å; T65-L69 WeakPolarHBondContact O-CG 3.49Å; T65-L69 PolarHBondContact O-N 2.88Å; T65-L69 VanDerWaalsContact O-N 3.13Å; I66-L69 PolarHBondContact O-N 3.26Å; I66-L69 VanDerWaalsContact O-N 3.12Å
70L91.7Very high90.9Very high65 Ų6541.4 Ų41.434%0.3421%0.213SC..SBendtrans-74.8133.8174.5-66.9174.5000111.2A36 I66 L67 I72A36-L70 HydrophobicContact CB-CD1 4.39Å; I66-L70 HydrophobicContact CG2-CD1 3.99Å; I66-L70 HydrophobicContact CG2-CG 4.44Å; I66-L70 WeakPolarHBondContact O-CG 3.36Å; I66-L70 PolarHBondContact O-N 3.07Å; I66-L70 VanDerWaalsContact O-N 3.1Å; L67-L70 HydrophobicContact CD2-CD1 4.5Å; L70-I72 HydrophobicContact CB-CD1 4.14Å; L70-I72 HydrophobicContact CB-CG1 4.03Å; L70-I72 PolarHBondContact O-N 3.39Å
71D90.7Very high91.1Very high153 Ų15341.7 Ų41.782%0.81821%0.214SC*.  trans-79.186174.2-173.523.1000111.1V73D71-V73 PolarHBondContact O-N 3.13Å
72I90Very high91.3Very high33 Ų3345.1 Ų45.117%0.16923%0.233CC..  trans-91.6103.6-176.1-64.3166.3000110.2V33 L67 L70 A77 V81V33-I72 HydrophobicContact CG1-CD1 4.07Å; V33-I72 HydrophobicContact CG2-CD1 4.25Å; V33-I72 HydrophobicContact CG2-CG1 4.45Å; L67-I72 HydrophobicContact CD2-CD1 4Å; L70-I72 HydrophobicContact CB-CD1 4.14Å; L70-I72 HydrophobicContact CB-CG1 4.03Å; L70-I72 PolarHBondContact O-N 3.39Å; I72-A77 HydrophobicContact CG2-CB 3.49Å; I72-A77 VanDerWaalsContact CG2-CB 3.49Å; I72-V81 HydrophobicContact CB-CG2 4.44Å; I72-V81 HydrophobicContact CD1-CG2 3.31Å; I72-V81 HydrophobicContact CG1-CG2 4.43Å
73V89.8Confident91.6Very high99 Ų9945.6 Ų45.660%0.624%0.235SC*.  trans-84-31.5-178.9-179.50000113D71D71-V73 PolarHBondContact O-N 3.13Å
74H91.1Very high91.8Very high58 Ų5845.6 Ų45.627%0.26924%0.235SC..  trans-72.3126.8-173.1-168.4-73.4000111.5N26 A29 A76 A77 R78N26-H74 PolarHBondContact OD1-CE1 3.26Å; A29-H74 HydrophobicContact CB-CB 4.31Å; H74-A76 WeakPolarHBondContact ND1-CB 3.27Å; H74-A76 PolarHBondContact ND1-N 2.87Å; H74-A76 VanDerWaalsContact ND1-N 3.17Å; H74-A76 PolarHBondContact O-N 3.41Å; H74-A77 HydrophobicContact CB-CB 4.02Å; H74-A77 PolarHBondContact O-N 2.91Å; H74-R78 PolarHBondContact O-N 2.9Å
75P91.4Very high91.8Very high77 Ų7750.7 Ų50.750%0.525%0.254SS..Hα-helixtrans-57.3-44.7-175.1-26.234.2000113.7A77 R78 T79 T520P75-A77 VanDerWaalsContact C-N 3.31Å; P75-A77 PolarHBondContact O-N 3.47Å; P75-R78 WeakPolarHBondContact O-CB 3.35Å; P75-R78 PolarHBondContact O-N 2.84Å; P75-T79 PolarHBondContact O-N 3Å; P75-T520 HydrophobicContact CG-CG2 4.35Å
76A92.5Very high91.9Very high4 Ų452.1 Ų52.13%0.03327%0.268CS..Hα-helixtrans-64.9-33.2177.600000113.3N26 C30 H74 R78 T79 L514N26-A76 HydrophobicContact CB-CB 3.64Å; C30-A76 PolarHBondContact SG-O 3.27Å; H74-A76 WeakPolarHBondContact ND1-CB 3.27Å; H74-A76 PolarHBondContact ND1-N 2.87Å; H74-A76 VanDerWaalsContact ND1-N 3.17Å; H74-A76 PolarHBondContact O-N 3.41Å; A76-R78 VanDerWaalsContact C-N 3.35Å; A76-T79 PolarHBondContact O-OG1 3.18Å; A76-L514 HydrophobicContact CB-CD2 3.57Å
77A92.3Very high91.9Very high2 Ų252 Ų522%0.01727%0.267CS..Hα-helixtrans-75.8-29.6177.900000111.4V33 I72 H74 P75 T79 L80V33-A77 HydrophobicContact CB-CB 4.5Å; V33-A77 HydrophobicContact CG2-CB 3.69Å; I72-A77 HydrophobicContact CG2-CB 3.49Å; I72-A77 VanDerWaalsContact CG2-CB 3.49Å; H74-A77 HydrophobicContact CB-CB 4.02Å; H74-A77 PolarHBondContact O-N 2.91Å; P75-A77 VanDerWaalsContact C-N 3.31Å; P75-A77 PolarHBondContact O-N 3.47Å; A77-T79 VanDerWaalsContact C-N 3.28Å; A77-T79 PolarHBondContact O-N 3.41Å; A77-L80 WeakPolarHBondContact O-CB 3.34Å; A77-L80 PolarHBondContact O-N 2.96Å; A77-L80 VanDerWaalsContact O-N 3.17Å
78R93Very high91.8Very high156 Ų15653 Ų5359%0.58927%0.272SS*.Hα-helixtrans-63.6-32.8175.3-173.4174.1176.3167.30.9112.4H74 P75 A76 L80 V81 D82H74-R78 PolarHBondContact O-N 2.9Å; P75-R78 WeakPolarHBondContact O-CB 3.35Å; P75-R78 PolarHBondContact O-N 2.84Å; A76-R78 VanDerWaalsContact C-N 3.35Å; R78-L80 PolarHBondContact O-N 3.02Å; R78-V81 VanDerWaalsContact O-CB 3.3Å; R78-V81 WeakPolarHBondContact O-CB 3.47Å; R78-V81 PolarHBondContact O-N 2.92Å; R78-D82 PolarHBondContact O-N 3.26Å; R78-D82 VanDerWaalsContact O-N 3.1Å
79T92.3Very high91.7Very high28 Ų2852.4 Ų52.417%0.17228%0.283CS..Hα-helixtrans-60.9-35.917567.20000111.4P75 A76 A77 V81 D82 I83 L513 L514P75-T79 PolarHBondContact O-N 3Å; A76-T79 PolarHBondContact O-OG1 3.18Å; A77-T79 VanDerWaalsContact C-N 3.28Å; A77-T79 PolarHBondContact O-N 3.41Å; T79-V81 VanDerWaalsContact C-N 3.29Å; T79-V81 PolarHBondContact O-N 3.39Å; T79-D82 PolarHBondContact O-N 3.44Å; T79-I83 WeakPolarHBondContact O-CD1 3.41Å; T79-I83 VanDerWaalsContact O-CG1 3.23Å; T79-I83 WeakPolarHBondContact O-CG1 3.39Å; T79-I83 PolarHBondContact O-N 2.83Å; T79-L513 HydrophobicContact CG2-CD2 4.33Å; T79-L514 HydrophobicContact CG2-CD2 4.06Å
80L91.5Very high91.4Very high0 Ų053.8 Ų53.80%029%0.287CS..Hα-helixtrans-60.2-39.2173.7-64.8-177.4000112.7C30 V33 A77 R78 I83 A84 T99 A102C30-L80 HydrophobicContact CB-CD1 3.7Å; C30-L80 HydrophobicContact CB-CG 4.43Å; V33-L80 HydrophobicContact CB-CD1 4.36Å; V33-L80 HydrophobicContact CG1-CD1 4.31Å; A77-L80 WeakPolarHBondContact O-CB 3.34Å; A77-L80 PolarHBondContact O-N 2.96Å; A77-L80 VanDerWaalsContact O-N 3.17Å; R78-L80 PolarHBondContact O-N 3.02Å; L80-I83 HydrophobicContact CD2-CD1 4.01Å; L80-I83 PolarHBondContact O-N 3.48Å; L80-A84 PolarHBondContact O-N 2.86Å; L80-T99 HydrophobicContact CB-CG2 4.29Å; L80-T99 HydrophobicContact CD1-CG2 4.17Å; L80-A102 HydrophobicContact CD2-CB 3.96Å
81V92.7Very high91.1Very high8 Ų850.7 Ų50.75%0.04827%0.271CS..Hα-helixtrans-63.6-43.4175.9-173.40000110.9L67 I72 R78 T79 I83 A84 R85L67-V81 HydrophobicContact CB-CG1 4.19Å; L67-V81 HydrophobicContact CB-CG2 4.21Å; I72-V81 HydrophobicContact CB-CG2 4.44Å; I72-V81 HydrophobicContact CD1-CG2 3.31Å; I72-V81 HydrophobicContact CG1-CG2 4.43Å; R78-V81 VanDerWaalsContact O-CB 3.3Å; R78-V81 WeakPolarHBondContact O-CB 3.47Å; R78-V81 PolarHBondContact O-N 2.92Å; T79-V81 VanDerWaalsContact C-N 3.29Å; T79-V81 PolarHBondContact O-N 3.39Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.37Å; V81-A84 PolarHBondContact O-N 3.1Å; V81-R85 WeakPolarHBondContact O-CB 3.03Å; V81-R85 VanDerWaalsContact O-CG 3.26Å; V81-R85 WeakPolarHBondContact O-CG 3.46Å; V81-R85 PolarHBondContact O-N 3.25Å
82D92.7Very high90.7Very high78 Ų7843.4 Ų43.442%0.41723%0.232SC..Hα-helixtrans-66.7-37.1-178.3-67.1-29.6000111.7R78 T79 R85 A86R78-D82 PolarHBondContact O-N 3.26Å; R78-D82 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact O-N 3.44Å; D82-R85 PolarHBondContact O-N 2.95Å; D82-A86 WeakPolarHBondContact O-CB 3.47Å; D82-A86 PolarHBondContact O-N 3.41Å
83I92.9Very high90.5Very high20 Ų2043.6 Ų43.610%0.10323%0.234CC..Hα-helixtrans-66.2-46.3173.6-54.7150.9000111T79 L80 V81 R85 A86 Q87 V98 A510T79-I83 WeakPolarHBondContact O-CD1 3.41Å; T79-I83 VanDerWaalsContact O-CG1 3.23Å; T79-I83 WeakPolarHBondContact O-CG1 3.39Å; T79-I83 PolarHBondContact O-N 2.83Å; L80-I83 HydrophobicContact CD2-CD1 4.01Å; L80-I83 PolarHBondContact O-N 3.48Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.37Å; I83-R85 PolarHBondContact O-N 3.15Å; I83-A86 PolarHBondContact O-N 3.36Å; I83-A86 VanDerWaalsContact O-N 3.1Å; I83-Q87 WeakPolarHBondContact O-CB 3.41Å; I83-Q87 PolarHBondContact O-N 3.26Å; I83-V98 HydrophobicContact CG2-CB 4.5Å; I83-V98 HydrophobicContact CG2-CG1 3.69Å; I83-V98 HydrophobicContact CG2-CG2 3.91Å; I83-A510 HydrophobicContact CD1-CB 2.99Å; I83-A510 HydrophobicContact CG1-CB 3.8Å
84A92.9Very high90.4Very high0 Ų039.2 Ų39.20%021%0.208CC..Hα-helixtrans-60.1-38.2179.400000110.9A64 L67 L80 V81 D88A64-A84 HydrophobicContact CB-CB 4.33Å; L67-A84 HydrophobicContact CD1-CB 3.66Å; L80-A84 PolarHBondContact O-N 2.86Å; V81-A84 PolarHBondContact O-N 3.1Å; A84-D88 VanDerWaalsContact O-CB 3.28Å; A84-D88 WeakPolarHBondContact O-CB 3.39Å; A84-D88 PolarHBondContact O-N 3.45Å
85R91.8Very high90.5Very high109 Ų10936.7 Ų36.741%0.41120%0.197SC..Hα-helixtrans-65.5-41.3172.7-73.1172.9179-167.51113K68 V81 D82 I83 A89K68-R85 HydrophobicContact CG-CG 4.28Å; V81-R85 WeakPolarHBondContact O-CB 3.03Å; V81-R85 VanDerWaalsContact O-CG 3.26Å; V81-R85 WeakPolarHBondContact O-CG 3.46Å; V81-R85 PolarHBondContact O-N 3.25Å; D82-R85 PolarHBondContact O-N 2.95Å; I83-R85 PolarHBondContact O-N 3.15Å; R85-A89 WeakPolarHBondContact O-CB 3.18Å; R85-A89 PolarHBondContact O-N 3.45Å
86A92.7Very high90.5Very high44 Ų4433.5 Ų33.536%0.36418%0.177SC..Hα-helixtrans-64.9-44.7176.900000111.3D82 I83 D88 A89 E90D82-A86 WeakPolarHBondContact O-CB 3.47Å; D82-A86 PolarHBondContact O-N 3.41Å; I83-A86 PolarHBondContact O-N 3.36Å; I83-A86 VanDerWaalsContact O-N 3.1Å; A86-D88 PolarHBondContact O-N 3.11Å; A86-A89 PolarHBondContact O-N 3.01Å; A86-E90 WeakPolarHBondContact O-CB 3.47Å; A86-E90 WeakPolarHBondContact O-CG 3.44Å; A86-E90 PolarHBondContact O-N 2.88Å
87Q91.8Very high90.6Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-62-43177-174.963.92400112I83 V91 G92 D93 T95 V98I83-Q87 WeakPolarHBondContact O-CB 3.41Å; I83-Q87 PolarHBondContact O-N 3.26Å; Q87-V91 PolarHBondContact O-N 2.89Å; Q87-G92 PolarHBondContact O-N 2.73Å; Q87-G92 VanDerWaalsContact O-N 3.07Å; Q87-D93 WeakPolarHBondContact CG-O 3.3Å; Q87-D93 PolarHBondContact NE2-O 3.05Å; Q87-T95 HydrophobicContact CG-CG2 4.49Å; Q87-V98 HydrophobicContact CB-CG1 4.17Å; Q87-V98 HydrophobicContact CG-CB 4.47Å; Q87-V98 HydrophobicContact CG-CG1 4.36Å
88D90Very high90.7Very high22 Ų2234.1 Ų34.112%0.11818%0.18CC..Hα-helixtrans-58.6-48.9173179.234.2000111.2A64 K68 A84 A86 E90 G92 T95 M395A64-D88 HydrophobicContact CB-CB 3.84Å; K68-D88 IonicContact NZ-OD2 3.59Å; K68-D88 PolarHBondContact NZ-OD2 3.32Å; A84-D88 VanDerWaalsContact O-CB 3.28Å; A84-D88 WeakPolarHBondContact O-CB 3.39Å; A84-D88 PolarHBondContact O-N 3.45Å; A86-D88 PolarHBondContact O-N 3.11Å; D88-E90 PolarHBondContact O-N 3.26Å; D88-G92 VanDerWaalsContact O-CA 3.27Å; D88-G92 WeakPolarHBondContact O-CA 3.25Å; D88-G92 PolarHBondContact O-N 3.27Å; D88-G92 VanDerWaalsContact O-N 3.1Å; D88-T95 HydrophobicContact CB-CG2 3.84Å; D88-M395 WeakPolarHBondContact O-CE 3.31Å
89A89.1Confident90.8Very high71 Ų7126.7 Ų26.759%0.58715%0.152SC*.Hα-helixtrans-69-35.4-179.100000114.2R85 A86R85-A89 WeakPolarHBondContact O-CB 3.18Å; R85-A89 PolarHBondContact O-N 3.45Å; A86-A89 PolarHBondContact O-N 3.01Å
90E86.4Confident91Very high102 Ų10225.4 Ų25.448%0.47714%0.144SC..Hα-helixtrans-82.6-47.9-178-72.6-164167.500112.8A86 D88 R399 N502A86-E90 WeakPolarHBondContact O-CB 3.47Å; A86-E90 WeakPolarHBondContact O-CG 3.44Å; A86-E90 PolarHBondContact O-N 2.88Å; D88-E90 PolarHBondContact O-N 3.26Å; E90-R399 PolarHBondContact O-NE 3.43Å; E90-R399 PolarHBondContact O-NH2 3.43Å; E90-N502 PolarHBondContact OE2-ND2 2.86Å
91V85.9Confident91.2Very high0 Ų025.6 Ų25.60%015%0.145CC..THydrogen-bonded Turntrans-114.2-43.2-169.8-1770000111.6Q87 M395 V499 N502Q87-V91 PolarHBondContact O-N 2.89Å; V91-M395 VanDerWaalsContact O-CB 3.3Å; V91-M395 WeakPolarHBondContact O-CB 3.5Å; V91-V499 HydrophobicContact CG1-CB 3.93Å; V91-V499 HydrophobicContact CG1-CG1 4.06Å; V91-V499 HydrophobicContact CG1-CG2 3.3Å; V91-N502 HydrophobicContact CG2-CB 4.04Å; V91-N502 WeakPolarHBondContact CG2-ND2 3.36Å
92G82.1Confident91.4Very high1 Ų125.2 Ų25.21%0.0114%0.143CC..SBendtrans86.90-176.500000115.9Q87 D88 D392 M395Q87-G92 PolarHBondContact O-N 2.73Å; Q87-G92 VanDerWaalsContact O-N 3.07Å; D88-G92 VanDerWaalsContact O-CA 3.27Å; D88-G92 WeakPolarHBondContact O-CA 3.25Å; D88-G92 PolarHBondContact O-N 3.27Å; D88-G92 VanDerWaalsContact O-N 3.1Å; G92-D392 WeakPolarHBondContact O-CB 3.4Å; G92-M395 VanDerWaalsContact CA-CE 3.45Å
93D86.1Confident91.6Very high36 Ų3621.7 Ų21.719%0.19312%0.124CC..SBendtrans-142.3161176.1-169.423.9000110.5Q87 V396Q87-D93 WeakPolarHBondContact CG-O 3.3Å; Q87-D93 PolarHBondContact NE2-O 3.05Å; D93-V396 HydrophobicContact CB-CG2 3.52Å
94G87.7Confident91.8Very high7 Ų721.1 Ų21.17%0.07212%0.121CC..  trans78.917.8-178.100000114.5T96 S97 V98G94-T96 PolarHBondContact O-N 3.12Å; G94-S97 PolarHBondContact O-N 3.14Å; G94-V98 PolarHBondContact O-N 2.86Å
95T91.7Very high92Very high5 Ų521.1 Ų21.13%0.03112%0.121CC..Hα-helixtrans-59.8-43.4178.556.40000112.1D62 G63 A64 Q87 D88 V98 T99D62-T95 PolarHBondContact OD1-OG1 3.01Å; G63-T95 PolarHBondContact N-OG1 3.37Å; A64-T95 HydrophobicContact CB-CG2 3.71Å; Q87-T95 HydrophobicContact CG-CG2 4.49Å; D88-T95 HydrophobicContact CB-CG2 3.84Å; T95-V98 WeakPolarHBondContact O-CG1 3.43Å; T95-T99 PolarHBondContact O-OG1 3.47Å
96T93Very high92.2Very high11 Ų1115.9 Ų15.97%0.06710%0.102CC..Hα-helixtrans-68.5-44174.5-51.40000111.1V37 T40 L41 G63 G94 V98 T99 L100V37-T96 HydrophobicContact CB-CG2 4.32Å; V37-T96 HydrophobicContact CG2-CG2 4.45Å; V37-T96 WeakPolarHBondContact O-CG2 3.45Å; T40-T96 WeakPolarHBondContact OG1-CG2 3.49Å; T40-T96 PolarHBondContact OG1-OG1 3.03Å; L41-T96 HydrophobicContact CB-CG2 4.11Å; L41-T96 HydrophobicContact CD1-CG2 4.35Å; G63-T96 WeakPolarHBondContact CA-OG1 3.41Å; G63-T96 PolarHBondContact N-OG1 3.41Å; G94-T96 PolarHBondContact O-N 3.12Å; T96-V98 PolarHBondContact O-N 3.04Å; T96-T99 PolarHBondContact O-N 3.5Å; T96-L100 HydrophobicContact CG2-CD1 3.78Å; T96-L100 WeakPolarHBondContact O-CD1 3.44Å; T96-L100 PolarHBondContact O-N 3Å
97S93.7Very high92.4Very high18 Ų1818 Ų1813%0.12610%0.102CC..Hα-helixtrans-60.6-42.5-179.1-54.10000112.6L41 G94 T99 L100 L101L41-S97 VanDerWaalsContact CD1-OG 3.27Å; L41-S97 WeakPolarHBondContact CD1-OG 3.35Å; G94-S97 PolarHBondContact O-N 3.14Å; S97-T99 VanDerWaalsContact C-N 3.32Å; S97-T99 PolarHBondContact O-N 3.1Å; S97-L100 PolarHBondContact O-N 3.39Å; S97-L101 WeakPolarHBondContact O-CB 3.43Å; S97-L101 WeakPolarHBondContact O-CG 3.48Å; S97-L101 PolarHBondContact O-N 3.38Å
98V95.1Very high92.6Very high0 Ų019.2 Ų19.20%011%0.108CC..Hα-helixtrans-65.2-38.9-179.890.70000111.4I83 Q87 G94 T95 T96 A102 S503 A507I83-V98 HydrophobicContact CG2-CB 4.5Å; I83-V98 HydrophobicContact CG2-CG1 3.69Å; I83-V98 HydrophobicContact CG2-CG2 3.91Å; Q87-V98 HydrophobicContact CB-CG1 4.17Å; Q87-V98 HydrophobicContact CG-CB 4.47Å; Q87-V98 HydrophobicContact CG-CG1 4.36Å; G94-V98 PolarHBondContact O-N 2.86Å; T95-V98 WeakPolarHBondContact O-CG1 3.43Å; T96-V98 PolarHBondContact O-N 3.04Å; V98-A102 VanDerWaalsContact O-CB 3.31Å; V98-A102 WeakPolarHBondContact O-CB 3.32Å; V98-A102 PolarHBondContact O-N 2.85Å; V98-S503 WeakPolarHBondContact CG2-O 3.3Å; V98-A507 HydrophobicContact CG2-CB 4.17Å
99T95.3Very high92.8Very high0 Ų018.1 Ų18.10%010%0.102CC..Hα-helixtrans-66.4-43.2178.5-54.50000111.3V37 L67 L80 T95 T96 S97 T103V37-T99 HydrophobicContact CG2-CG2 3.99Å; L67-T99 HydrophobicContact CD1-CG2 4.24Å; L80-T99 HydrophobicContact CB-CG2 4.29Å; L80-T99 HydrophobicContact CD1-CG2 4.17Å; T95-T99 PolarHBondContact O-OG1 3.47Å; T96-T99 PolarHBondContact O-N 3.5Å; S97-T99 VanDerWaalsContact C-N 3.32Å; S97-T99 PolarHBondContact O-N 3.1Å; T99-T103 WeakPolarHBondContact O-CB 3.35Å; T99-T103 PolarHBondContact O-N 3.49Å; T99-T103 VanDerWaalsContact O-N 3.13Å; T99-T103 PolarHBondContact O-OG1 2.92Å
100L96.1Very high93.1Very high2 Ų217.2 Ų17.21%0.019%0.085CC..Hα-helixtrans-64.7-46.2176.5-79.5155.1000112.1R38 L41 T96 S97 T103 E104 I446R38-L100 HydrophobicContact CB-CD2 3.93Å; R38-L100 HydrophobicContact CG-CD2 3.93Å; L41-L100 HydrophobicContact CB-CD1 4.01Å; L41-L100 HydrophobicContact CD1-CD1 4.26Å; L41-L100 HydrophobicContact CD2-CD1 3.97Å; L41-L100 HydrophobicContact CG-CD1 4.29Å; T96-L100 HydrophobicContact CG2-CD1 3.78Å; T96-L100 WeakPolarHBondContact O-CD1 3.44Å; T96-L100 PolarHBondContact O-N 3Å; S97-L100 PolarHBondContact O-N 3.39Å; L100-T103 PolarHBondContact O-N 3.33Å; L100-E104 WeakPolarHBondContact O-CB 3.32Å; L100-E104 PolarHBondContact O-N 3.4Å; L100-I446 HydrophobicContact CB-CD1 4.34Å
101L96.5Very high93.5Very high4 Ų415.2 Ų15.22%0.0218%0.081CC..Hα-helixtrans-63.8-45.9178.7-76.3171.2000111.8S97 T103 E104 F105 F443 V445 I446 A507S97-L101 WeakPolarHBondContact O-CB 3.43Å; S97-L101 WeakPolarHBondContact O-CG 3.48Å; S97-L101 PolarHBondContact O-N 3.38Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 2.94Å; L101-E104 PolarHBondContact O-N 3.17Å; L101-F105 WeakPolarHBondContact O-CD2 3.22Å; L101-F105 VanDerWaalsContact O-CG 3.3Å; L101-F105 WeakPolarHBondContact O-CG 3.31Å; L101-F105 PolarHBondContact O-N 2.8Å; L101-F443 HydrophobicContact CD2-CD1 4.02Å; L101-F443 HydrophobicContact CD2-CE1 4.47Å; L101-V445 HydrophobicContact CD2-CG1 3.99Å; L101-I446 HydrophobicContact CD1-CG1 4.37Å; L101-I446 HydrophobicContact CD2-CD1 4.44Å; L101-I446 HydrophobicContact CD2-CG1 3.93Å; L101-I446 HydrophobicContact CG-CD1 4.09Å; L101-I446 HydrophobicContact CG-CG1 4.05Å; L101-A507 HydrophobicContact CB-CB 3.84Å
102A96.3Very high93.9Very high0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-57.8-45.1178.100000111.2L80 V98 F105 L106 A507 A510L80-A102 HydrophobicContact CD2-CB 3.96Å; V98-A102 VanDerWaalsContact O-CB 3.31Å; V98-A102 WeakPolarHBondContact O-CB 3.32Å; V98-A102 PolarHBondContact O-N 2.85Å; A102-F105 PolarHBondContact O-N 3.21Å; A102-L106 WeakPolarHBondContact O-CG 3.23Å; A102-L106 PolarHBondContact O-N 2.75Å; A102-A507 HydrophobicContact CB-CB 4.02Å; A102-A510 HydrophobicContact CB-CB 4.33Å
103T96.6Very high94.5Very high4 Ų416.8 Ų16.83%0.0259%0.088CC..Hα-helixtrans-69.9-38.8179.8-54.90000112C30 E31 S34 T99 L100 L101 L106 K107C30-T103 HydrophobicContact CB-CG2 4.41Å; E31-T103 HydrophobicContact CB-CG2 4.38Å; E31-T103 HydrophobicContact CG-CG2 3.95Å; S34-T103 WeakPolarHBondContact CB-OG1 3.45Å; T99-T103 WeakPolarHBondContact O-CB 3.35Å; T99-T103 PolarHBondContact O-N 3.49Å; T99-T103 VanDerWaalsContact O-N 3.13Å; T99-T103 PolarHBondContact O-OG1 2.92Å; L100-T103 PolarHBondContact O-N 3.33Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 2.94Å; T103-L106 WeakPolarHBondContact O-CB 3.42Å; T103-L106 PolarHBondContact O-N 3.35Å; T103-K107 WeakPolarHBondContact O-CB 3.49Å; T103-K107 PolarHBondContact O-N 2.94Å
104E97Very high94.8Very high7 Ų720.8 Ų20.83%0.03311%0.105CC..Hα-helixtrans-68.9-34.7177.7-168.270.8-156.700111.7L100 L101 L106 K107 Q108 A442 V445L100-E104 WeakPolarHBondContact O-CB 3.32Å; L100-E104 PolarHBondContact O-N 3.4Å; L101-E104 PolarHBondContact O-N 3.17Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.45Å; E104-K107 PolarHBondContact O-N 3.1Å; E104-Q108 HydrophobicContact CG-CG 4.37Å; E104-Q108 WeakPolarHBondContact O-CB 3.22Å; E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.38Å; E104-Q108 PolarHBondContact O-N 3.4Å; E104-Q108 PolarHBondContact OE1-NE2 3.42Å; E104-A442 HydrophobicContact CB-CB 4.17Å; E104-A442 HydrophobicContact CG-CB 3.7Å; E104-V445 HydrophobicContact CB-CB 4.15Å; E104-V445 HydrophobicContact CB-CG1 3.97Å; E104-V445 HydrophobicContact CB-CG2 4.31Å; E104-V445 HydrophobicContact CG-CB 3.86Å; E104-V445 HydrophobicContact CG-CG1 4.16Å; E104-V445 HydrophobicContact CG-CG2 4.19Å
105F97Very high95.1Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-58.7-44.3171-67.4-29.2000111.8L101 A102 Q108 A109 F126 M439 A442 F443 A507 A511L101-F105 WeakPolarHBondContact O-CD2 3.22Å; L101-F105 VanDerWaalsContact O-CG 3.3Å; L101-F105 WeakPolarHBondContact O-CG 3.31Å; L101-F105 PolarHBondContact O-N 2.8Å; A102-F105 PolarHBondContact O-N 3.21Å; F105-Q108 PolarHBondContact O-N 3.39Å; F105-A109 WeakPolarHBondContact O-CB 3.5Å; F105-A109 PolarHBondContact O-N 3.22Å; F105-F126 HydrophobicContact CB-CE2 4.05Å; F105-M439 HydrophobicContact CD1-CG 3.96Å; F105-M439 HydrophobicContact CE1-CE 4.12Å; F105-M439 HydrophobicContact CE1-CG 3.63Å; F105-M439 HydrophobicContact CE2-CE 4.15Å; F105-M439 HydrophobicContact CZ-CE 3.77Å; F105-M439 HydrophobicContact CZ-CG 4.25Å; F105-A442 HydrophobicContact CD1-CB 3.35Å; F105-A442 HydrophobicContact CE1-CB 3.66Å; F105-F443 HydrophobicContact CE1-CD2 4.49Å; F105-F443 HydrophobicContact CE1-CE2 4.19Å; F105-F443 HydrophobicContact CE1-CZ 4.25Å; F105-F443 HydrophobicContact CZ-CE1 4.08Å; F105-F443 HydrophobicContact CZ-CE2 4.19Å; F105-F443 AromaticContact CZ-CZ 3.8Å; F105-F443 HydrophobicContact CZ-CZ 3.8Å; F105-A507 HydrophobicContact CD2-CB 4.18Å; F105-A507 HydrophobicContact CE2-CB 3.82Å; F105-A511 HydrophobicContact CB-CB 3.86Å; F105-A511 HydrophobicContact CD2-CB 4.4Å
106L96.1Very high95.1Very high0 Ų029.8 Ų29.80%016%0.159CC..Hα-helixtrans-62.9-44.1174.8-70.1175.7000112.2I27 C30 A102 T103 E104 Q108 A109 K110 A511 L514 L515I27-L106 HydrophobicContact CG1-CB 4.08Å; I27-L106 HydrophobicContact CG1-CD2 4.3Å; I27-L106 HydrophobicContact CG2-CB 4.08Å; C30-L106 HydrophobicContact CB-CD1 4.11Å; A102-L106 WeakPolarHBondContact O-CG 3.23Å; A102-L106 PolarHBondContact O-N 2.75Å; T103-L106 WeakPolarHBondContact O-CB 3.42Å; T103-L106 PolarHBondContact O-N 3.35Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.45Å; L106-Q108 VanDerWaalsContact C-N 3.35Å; L106-Q108 PolarHBondContact O-N 2.85Å; L106-A109 WeakPolarHBondContact O-CB 3.46Å; L106-A109 PolarHBondContact O-N 3.01Å; L106-A109 VanDerWaalsContact O-N 3.11Å; L106-K110 PolarHBondContact O-N 3.48Å; L106-A511 HydrophobicContact CD2-CB 4.02Å; L106-A511 HydrophobicContact CG-CB 4.09Å; L106-L514 HydrophobicContact CD1-CB 4.32Å; L106-L514 HydrophobicContact CD1-CD1 3.61Å; L106-L514 HydrophobicContact CD2-CB 4.16Å; L106-L515 HydrophobicContact CD2-CD1 4.31Å; L106-L515 HydrophobicContact CD2-CD2 4.06Å; L106-L515 HydrophobicContact CD2-CG 3.74Å
107K96.3Very high95.2Very high88 Ų8830.1 Ų30.138%0.38316%0.16SC..Hα-helixtrans-61.8-41177.4-175.9174-176.4176.60112.4E31 T103 E104 A109 K110 P111E31-K107 WeakPolarHBondContact OE1-CG 3.3Å; T103-K107 WeakPolarHBondContact O-CB 3.49Å; T103-K107 PolarHBondContact O-N 2.94Å; E104-K107 PolarHBondContact O-N 3.1Å; K107-A109 VanDerWaalsContact C-N 3.3Å; K107-K110 PolarHBondContact O-N 2.95Å; K107-P111 WeakPolarHBondContact O-CD 3.33Å
108Q95.9Very high95.2Very high25 Ų2534.8 Ų34.812%0.11718%0.18CC..Hα-helixtrans-72.1-23.3175.3-65.9-57.4-41.700112.6E104 F105 L106 F112 A438 A442E104-Q108 HydrophobicContact CG-CG 4.37Å; E104-Q108 WeakPolarHBondContact O-CB 3.22Å; E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.38Å; E104-Q108 PolarHBondContact O-N 3.4Å; E104-Q108 PolarHBondContact OE1-NE2 3.42Å; F105-Q108 PolarHBondContact O-N 3.39Å; L106-Q108 VanDerWaalsContact C-N 3.35Å; L106-Q108 PolarHBondContact O-N 2.85Å; Q108-F112 WeakPolarHBondContact O-CD2 3.49Å; Q108-F112 WeakPolarHBondContact O-CE2 3.47Å; Q108-A438 HydrophobicContact CB-CB 4.2Å; Q108-A442 HydrophobicContact CG-CB 3.86Å
109A95.1Very high95.1Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-76.9-29.6173.600000113.3F105 L106 K107 F112 L113 I122 F126 L515F105-A109 WeakPolarHBondContact O-CB 3.5Å; F105-A109 PolarHBondContact O-N 3.22Å; L106-A109 WeakPolarHBondContact O-CB 3.46Å; L106-A109 PolarHBondContact O-N 3.01Å; L106-A109 VanDerWaalsContact O-N 3.11Å; K107-A109 VanDerWaalsContact C-N 3.3Å; A109-F112 WeakPolarHBondContact O-CB 3.4Å; A109-F112 PolarHBondContact O-N 3.12Å; A109-L113 PolarHBondContact O-N 3.26Å; A109-I122 HydrophobicContact CB-CD1 4.38Å; A109-I122 HydrophobicContact CB-CG2 3.97Å; A109-F126 HydrophobicContact CB-CE2 4.2Å; A109-F126 HydrophobicContact CB-CZ 3.98Å; A109-L515 HydrophobicContact CB-CD1 4.26Å; A109-L515 HydrophobicContact CB-CD2 4.14Å
110K94.8Very high95.1Very high52 Ų5238.5 Ų38.523%0.22621%0.206CC..Hα-helixtrans-50.4-47.8-174.7-178.5177.5177.9173.10114.7I27 L106 K107 F112 L113 E114I27-K110 HydrophobicContact CD1-CB 4.29Å; L106-K110 PolarHBondContact O-N 3.48Å; K107-K110 PolarHBondContact O-N 2.95Å; K110-F112 VanDerWaalsContact C-N 3.3Å; K110-F112 PolarHBondContact O-N 2.96Å; K110-L113 WeakPolarHBondContact O-CB 3.16Å; K110-L113 PolarHBondContact O-N 2.68Å; K110-E114 VanDerWaalsContact CE-OE1 3.25Å; K110-E114 WeakPolarHBondContact CE-OE1 3.46Å; K110-E114 PolarHBondContact O-N 3.37Å; K110-E114 VanDerWaalsContact O-N 3.11Å
111P95.4Very high95Very high60 Ų6039.4 Ų39.439%0.3921%0.211SC..Hα-helixtrans-60.8-37.1178.8-23.334.6000113.2K107 L113 E114 E115K107-P111 WeakPolarHBondContact O-CD 3.33Å; P111-L113 VanDerWaalsContact C-N 3.35Å; P111-L113 PolarHBondContact O-N 3.29Å; P111-E114 PolarHBondContact O-N 3.16Å; P111-E115 WeakPolarHBondContact O-CG 3.35Å; P111-E115 PolarHBondContact O-N 3.17Å
112F95Very high95Very high32 Ų3239.2 Ų39.214%0.1421%0.21CC..Hα-helixtrans-69.7-33.8179-59.3-73.6000112.3Q108 A109 K110 E115 G116 V117 I122 L434 L435 A438Q108-F112 WeakPolarHBondContact O-CD2 3.49Å; Q108-F112 WeakPolarHBondContact O-CE2 3.47Å; A109-F112 WeakPolarHBondContact O-CB 3.4Å; A109-F112 PolarHBondContact O-N 3.12Å; K110-F112 VanDerWaalsContact C-N 3.3Å; K110-F112 PolarHBondContact O-N 2.96Å; F112-E115 PolarHBondContact O-N 3.01Å; F112-G116 PolarHBondContact O-N 2.96Å; F112-V117 HydrophobicContact CB-CB 4.14Å; F112-V117 HydrophobicContact CB-CG2 4.08Å; F112-V117 VanDerWaalsContact O-CB 3.22Å; F112-V117 WeakPolarHBondContact O-CB 3.46Å; F112-V117 WeakPolarHBondContact O-CG2 3.47Å; F112-V117 PolarHBondContact O-N 3.12Å; F112-I122 HydrophobicContact CB-CD1 4.08Å; F112-L434 HydrophobicContact CE1-CB 3.84Å; F112-L434 HydrophobicContact CZ-CB 4.12Å; F112-L435 HydrophobicContact CB-CD2 4.16Å; F112-L435 HydrophobicContact CD1-CD2 4.11Å; F112-L435 HydrophobicContact CD2-CD2 3.68Å; F112-L435 HydrophobicContact CE1-CD2 4.44Å; F112-L435 HydrophobicContact CE2-CD2 4.04Å; F112-L435 HydrophobicContact CG-CD2 3.71Å; F112-L435 HydrophobicContact CZ-CD2 4.4Å; F112-A438 HydrophobicContact CE2-CB 3.55Å; F112-A438 HydrophobicContact CZ-CB 4Å
113L93.7Very high95Very high1 Ų140.5 Ų40.51%0.00522%0.218CC..Hα-helixtrans-65.4-43173.7-67.4171000111.2I23 I27 A109 K110 P111 E115 G116 P119 I122 L515I23-L113 HydrophobicContact CG2-CD1 3.59Å; I27-L113 HydrophobicContact CD1-CD1 3.73Å; A109-L113 PolarHBondContact O-N 3.26Å; K110-L113 WeakPolarHBondContact O-CB 3.16Å; K110-L113 PolarHBondContact O-N 2.68Å; P111-L113 VanDerWaalsContact C-N 3.35Å; P111-L113 PolarHBondContact O-N 3.29Å; L113-E115 VanDerWaalsContact C-N 3.31Å; L113-E115 PolarHBondContact O-N 3.22Å; L113-G116 PolarHBondContact O-N 3.21Å; L113-P119 HydrophobicContact CD2-CB 4.3Å; L113-P119 HydrophobicContact CD2-CG 3.83Å; L113-I122 HydrophobicContact CD2-CD1 3.63Å; L113-I122 HydrophobicContact CG-CD1 3.84Å; L113-L515 HydrophobicContact CD1-CD2 3.78Å
114E93.6Very high94.9Very high120 Ų12047.3 Ų47.356%0.56124%0.243SC*.Hα-helixtrans-65.4-33.9177-69.4174174.200112.2I24 K110 P111 G116I24-E114 HydrophobicContact CD1-CG 3.9Å; K110-E114 VanDerWaalsContact CE-OE1 3.25Å; K110-E114 WeakPolarHBondContact CE-OE1 3.46Å; K110-E114 PolarHBondContact O-N 3.37Å; K110-E114 VanDerWaalsContact O-N 3.11Å; P111-E114 PolarHBondContact O-N 3.16Å; E114-G116 PolarHBondContact O-N 3.41Å
115E93.6Very high94.8Very high151 Ų15147 Ų4771%0.70624%0.242SC*.THydrogen-bonded Turntrans-73.4-3.2171.9-71.8176.9-173.300113.9P111 F112 L113P111-E115 WeakPolarHBondContact O-CG 3.35Å; P111-E115 PolarHBondContact O-N 3.17Å; F112-E115 PolarHBondContact O-N 3.01Å; L113-E115 VanDerWaalsContact C-N 3.31Å; L113-E115 PolarHBondContact O-N 3.22Å
116G91.9Very high94.8Very high51 Ų5147 Ų4753%0.52624%0.242SC..THydrogen-bonded Turntrans8519.8177.300000114.8F112 L113 E114 H118F112-G116 PolarHBondContact O-N 2.96Å; L113-G116 PolarHBondContact O-N 3.21Å; E114-G116 PolarHBondContact O-N 3.41Å; G116-H118 PolarHBondContact O-N 3.34Å
117V93.4Very high94.8Very high17 Ų1749.5 Ų49.510%0.10325%0.253CS..  trans-70.9123.1169.5-177.50000109.2F112 V121 I122F112-V117 HydrophobicContact CB-CB 4.14Å; F112-V117 HydrophobicContact CB-CG2 4.08Å; F112-V117 VanDerWaalsContact O-CB 3.22Å; F112-V117 WeakPolarHBondContact O-CB 3.46Å; F112-V117 WeakPolarHBondContact O-CG2 3.47Å; F112-V117 PolarHBondContact O-N 3.12Å; V117-V121 HydrophobicContact CG1-CB 4.1Å; V117-V121 HydrophobicContact CG1-CG1 4.29Å; V117-I122 HydrophobicContact CG1-CG1 4.06Å
118H93.9Very high94.8Very high116 Ų11648.2 Ų48.254%0.53725%0.25SS..  trans-60.3133-179.8-169.7-82.1000111.6G116 S120 V121G116-H118 PolarHBondContact O-N 3.34Å; H118-S120 VanDerWaalsContact C-N 3.27Å; H118-S120 PolarHBondContact CE1-OG 3.48Å; H118-S120 WeakPolarHBondContact ND1-CB 3.36Å; H118-S120 PolarHBondContact ND1-N 3.17Å; H118-S120 PolarHBondContact ND1-OG 3.42Å; H118-S120 PolarHBondContact O-N 3.31Å; H118-S120 VanDerWaalsContact O-N 3.13Å; H118-V121 HydrophobicContact CB-CG2 4.28Å; H118-V121 WeakPolarHBondContact O-CB 3.42Å; H118-V121 PolarHBondContact O-N 3.16Å
119P94.1Very high94.8Very high24 Ų2447 Ų4716%0.15625%0.245CC..Hα-helixtrans-54-37.3-175.4-26.331.5000114.5I23 L113 V121 I122 V123 L515I23-P119 HydrophobicContact CD1-CB 4.43Å; I23-P119 HydrophobicContact CD1-CG 3.6Å; L113-P119 HydrophobicContact CD2-CB 4.3Å; L113-P119 HydrophobicContact CD2-CG 3.83Å; P119-V121 PolarHBondContact O-N 2.98Å; P119-V121 VanDerWaalsContact O-N 3.16Å; P119-I122 WeakPolarHBondContact O-CA 3.46Å; P119-I122 WeakPolarHBondContact O-CB 3.44Å; P119-I122 PolarHBondContact O-N 3.48Å; P119-V123 WeakPolarHBondContact O-CG2 3.47Å; P119-V123 PolarHBondContact O-N 2.88Å; P119-L515 VanDerWaalsContact CB-O 3.25Å; P119-L515 WeakPolarHBondContact CB-O 3.39Å
120S94.4Very high94.8Very high55 Ų5547.8 Ų47.839%0.38525%0.248SC..Hα-helixtrans-61.5-23.3177.172.20000114.5H118 R124H118-S120 VanDerWaalsContact C-N 3.27Å; H118-S120 PolarHBondContact CE1-OG 3.48Å; H118-S120 WeakPolarHBondContact ND1-CB 3.36Å; H118-S120 PolarHBondContact ND1-N 3.17Å; H118-S120 PolarHBondContact ND1-OG 3.42Å; H118-S120 PolarHBondContact O-N 3.31Å; H118-S120 VanDerWaalsContact O-N 3.13Å; S120-R124 VanDerWaalsContact O-CG 3.3Å; S120-R124 WeakPolarHBondContact O-CG 3.41Å; S120-R124 PolarHBondContact O-N 2.76Å; S120-R124 PolarHBondContact O-NE 2.86Å
121V94.9Very high94.9Very high21 Ų2151.5 Ų51.513%0.12727%0.265CS..Hα-helixtrans-74.3-40.7173-177.80000109.8V117 H118 P119 R124 A125 R431 L435V117-V121 HydrophobicContact CG1-CB 4.1Å; V117-V121 HydrophobicContact CG1-CG1 4.29Å; H118-V121 HydrophobicContact CB-CG2 4.28Å; H118-V121 WeakPolarHBondContact O-CB 3.42Å; H118-V121 PolarHBondContact O-N 3.16Å; P119-V121 PolarHBondContact O-N 2.98Å; P119-V121 VanDerWaalsContact O-N 3.16Å; V121-R124 PolarHBondContact O-N 3.31Å; V121-A125 PolarHBondContact O-N 3.37Å; V121-A125 VanDerWaalsContact O-N 3.09Å; V121-R431 HydrophobicContact CG1-CB 4.48Å; V121-L435 HydrophobicContact CG1-CD1 4.01Å
122I95.6Very high95Very high0 Ų049.7 Ų49.70%025%0.251CS..Hα-helixtrans-63.1-49.6176.8-53.1-177.5000110.2A109 F112 L113 V117 P119 R124 A125 F126 L435 L515A109-I122 HydrophobicContact CB-CD1 4.38Å; A109-I122 HydrophobicContact CB-CG2 3.97Å; F112-I122 HydrophobicContact CB-CD1 4.08Å; L113-I122 HydrophobicContact CD2-CD1 3.63Å; L113-I122 HydrophobicContact CG-CD1 3.84Å; V117-I122 HydrophobicContact CG1-CG1 4.06Å; P119-I122 WeakPolarHBondContact O-CA 3.46Å; P119-I122 WeakPolarHBondContact O-CB 3.44Å; P119-I122 PolarHBondContact O-N 3.48Å; I122-R124 VanDerWaalsContact C-N 3.35Å; I122-R124 PolarHBondContact O-N 3.34Å; I122-A125 PolarHBondContact O-N 2.95Å; I122-A125 VanDerWaalsContact O-N 3.14Å; I122-F126 HydrophobicContact CG2-CD1 4.24Å; I122-F126 HydrophobicContact CG2-CD2 4.15Å; I122-F126 HydrophobicContact CG2-CE1 3.95Å; I122-F126 HydrophobicContact CG2-CE2 3.85Å; I122-F126 HydrophobicContact CG2-CG 4.35Å; I122-F126 HydrophobicContact CG2-CZ 3.75Å; I122-F126 PolarHBondContact O-N 3.25Å; I122-L435 HydrophobicContact CB-CD2 4.4Å; I122-L435 HydrophobicContact CG1-CD1 4.43Å; I122-L435 HydrophobicContact CG1-CD2 3.89Å; I122-L435 HydrophobicContact CG2-CD2 4.24Å; I122-L515 HydrophobicContact CB-CD1 4.42Å; I122-L515 HydrophobicContact CG2-CD1 3.74Å
123V95.9Very high95Very high26 Ų2648.1 Ų48.116%0.15824%0.244CC..Hα-helixtrans-55.4-47.6177.8170.90000111.6P119 A125 F126 H127 C512 L515P119-V123 WeakPolarHBondContact O-CG2 3.47Å; P119-V123 PolarHBondContact O-N 2.88Å; V123-A125 PolarHBondContact O-N 3.12Å; V123-F126 PolarHBondContact O-N 3.36Å; V123-H127 PolarHBondContact O-CD2 2.93Å; V123-H127 VanDerWaalsContact O-CD2 3.26Å; V123-H127 PolarHBondContact O-N 2.97Å; V123-C512 HydrophobicContact CG1-CB 3.94Å; V123-C512 HydrophobicContact CG2-CB 4.21Å; V123-L515 HydrophobicContact CG2-CB 4.03Å
124R95.1Very high95.2Very high147 Ų14749.5 Ų49.556%0.55525%0.252SS*.Hα-helixtrans-61.7-42.1177.8-75.1-175.6-62.7162.84112.5S120 V121 I122 L128S120-R124 VanDerWaalsContact O-CG 3.3Å; S120-R124 WeakPolarHBondContact O-CG 3.41Å; S120-R124 PolarHBondContact O-N 2.76Å; S120-R124 PolarHBondContact O-NE 2.86Å; V121-R124 PolarHBondContact O-N 3.31Å; I122-R124 VanDerWaalsContact C-N 3.35Å; I122-R124 PolarHBondContact O-N 3.34Å; R124-L128 PolarHBondContact O-N 3.07Å; R124-L128 VanDerWaalsContact O-N 3.1Å
125A95.6Very high95.3Very high0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-67.8-37.6178.500000112.2V121 I122 V123 L128 G129 E432 L435V121-A125 PolarHBondContact O-N 3.37Å; V121-A125 VanDerWaalsContact O-N 3.09Å; I122-A125 PolarHBondContact O-N 2.95Å; I122-A125 VanDerWaalsContact O-N 3.14Å; V123-A125 PolarHBondContact O-N 3.12Å; A125-L128 WeakPolarHBondContact O-CB 3.42Å; A125-L128 PolarHBondContact O-N 3.13Å; A125-G129 PolarHBondContact O-N 3.37Å; A125-E432 HydrophobicContact CB-CG 4.35Å; A125-L435 HydrophobicContact CB-CB 3.55Å; A125-L435 HydrophobicContact CB-CD1 3.67Å; A125-L435 HydrophobicContact CB-CG 4.25Å
126F96.6Very high95.4Very high1 Ų146.9 Ų46.90%0.00423%0.234CC..Hα-helixtrans-66.1-44.7176.8-77.45.6000111.8F105 A109 I122 V123 L128 G129 E130 M439 T508 L515F105-F126 HydrophobicContact CB-CE2 4.05Å; A109-F126 HydrophobicContact CB-CE2 4.2Å; A109-F126 HydrophobicContact CB-CZ 3.98Å; I122-F126 HydrophobicContact CG2-CD1 4.24Å; I122-F126 HydrophobicContact CG2-CD2 4.15Å; I122-F126 HydrophobicContact CG2-CE1 3.95Å; I122-F126 HydrophobicContact CG2-CE2 3.85Å; I122-F126 HydrophobicContact CG2-CG 4.35Å; I122-F126 HydrophobicContact CG2-CZ 3.75Å; I122-F126 PolarHBondContact O-N 3.25Å; V123-F126 PolarHBondContact O-N 3.36Å; F126-L128 VanDerWaalsContact C-N 3.26Å; F126-L128 PolarHBondContact O-N 3.43Å; F126-G129 PolarHBondContact O-N 3.47Å; F126-E130 WeakPolarHBondContact O-CB 3.38Å; F126-E130 PolarHBondContact O-N 2.74Å; F126-M439 HydrophobicContact CD1-CB 4.29Å; F126-M439 HydrophobicContact CD1-SD 4.42Å; F126-M439 HydrophobicContact CE1-CB 4.19Å; F126-T508 HydrophobicContact CB-CG2 4.15Å; F126-L515 HydrophobicContact CD2-CD1 4.17Å; F126-L515 HydrophobicContact CE2-CD1 3.96Å
127H96.2Very high95.5Very high52 Ų5244.7 Ų44.724%0.24121%0.21CC..Hα-helixtrans-62.8-32172.5-74.3-56.7000113.4V123 E130 K131 E509V123-H127 PolarHBondContact O-CD2 2.93Å; V123-H127 VanDerWaalsContact O-CD2 3.26Å; V123-H127 PolarHBondContact O-N 2.97Å; H127-E130 IonicContact ND1-OE2 3.49Å; H127-E130 PolarHBondContact ND1-OE2 3.03Å; H127-K131 WeakPolarHBondContact O-CG 3.2Å; H127-K131 PolarHBondContact O-N 3.28Å; H127-E509 IonicContact CE1-OE1 3.22Å; H127-E509 PolarHBondContact CE1-OE1 2.97Å; H127-E509 IonicContact ND1-OE1 3.35Å
128L95.4Very high95.5Very high62 Ų6250.3 Ų50.333%0.32524%0.235SC..Hα-helixtrans-67.4-47.6173.5-177.757.1000110.8R124 A125 F126 E130 K131 M132 I428 I436R124-L128 PolarHBondContact O-N 3.07Å; R124-L128 VanDerWaalsContact O-N 3.1Å; A125-L128 WeakPolarHBondContact O-CB 3.42Å; A125-L128 PolarHBondContact O-N 3.13Å; F126-L128 VanDerWaalsContact C-N 3.26Å; F126-L128 PolarHBondContact O-N 3.43Å; L128-E130 VanDerWaalsContact C-N 3.35Å; L128-E130 PolarHBondContact O-N 2.93Å; L128-K131 PolarHBondContact O-N 3.26Å; L128-M132 HydrophobicContact CD1-SD 4.32Å; L128-M132 HydrophobicContact CG-SD 4.04Å; L128-M132 VanDerWaalsContact O-CG 3.28Å; L128-M132 WeakPolarHBondContact O-CG 3.31Å; L128-M132 PolarHBondContact O-N 2.87Å; L128-M132 VanDerWaalsContact O-N 3.13Å; L128-I428 HydrophobicContact CD2-CD1 4.29Å; L128-I436 HydrophobicContact CD2-CD1 4.06Å; L128-I436 HydrophobicContact CG-CD1 4.28Å
129G95.9Very high95.5Very high0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-61.2-39.9176.200000113.2A125 F126 M132 A133A125-G129 PolarHBondContact O-N 3.37Å; F126-G129 PolarHBondContact O-N 3.47Å; G129-M132 PolarHBondContact O-N 3.48Å; G129-A133 WeakPolarHBondContact O-CB 3.38Å; G129-A133 PolarHBondContact O-N 3.25Å
130E96.6Very high95.4Very high15 Ų1547.9 Ų47.97%0.0724%0.235CC..Hα-helixtrans-57.6-51.1174.2-173.6-157.7153.600111.6F126 H127 L128 M132 A133 L134 M439 I504 I505 T508F126-E130 WeakPolarHBondContact O-CB 3.38Å; F126-E130 PolarHBondContact O-N 2.74Å; H127-E130 IonicContact ND1-OE2 3.49Å; H127-E130 PolarHBondContact ND1-OE2 3.03Å; L128-E130 VanDerWaalsContact C-N 3.35Å; L128-E130 PolarHBondContact O-N 2.93Å; E130-M132 VanDerWaalsContact C-N 3.27Å; E130-M132 PolarHBondContact O-N 3.13Å; E130-A133 WeakPolarHBondContact O-CB 3.23Å; E130-A133 PolarHBondContact O-N 2.96Å; E130-A133 VanDerWaalsContact O-N 3.15Å; E130-L134 HydrophobicContact CG-CD1 4.23Å; E130-L134 WeakPolarHBondContact O-CG 3.31Å; E130-L134 PolarHBondContact O-N 3.43Å; E130-M439 HydrophobicContact CB-CE 4.24Å; E130-I504 HydrophobicContact CG-CG2 3.95Å; E130-I505 WeakPolarHBondContact OE1-CG1 3.22Å; E130-T508 HydrophobicContact CB-CG2 3.99Å; E130-T508 HydrophobicContact CG-CG2 4.19Å; E130-T508 WeakPolarHBondContact OE2-CG2 3.42Å
131K96.7Very high95.2Very high131 Ų13146 Ų4657%0.5722%0.223SC*.Hα-helixtrans-59.8-38.1177.7-72.7173.9-175.5177.90112.3H127 L128 K135H127-K131 WeakPolarHBondContact O-CG 3.2Å; H127-K131 PolarHBondContact O-N 3.28Å; L128-K131 PolarHBondContact O-N 3.26Å; K131-K135 VanDerWaalsContact O-CG 3.29Å; K131-K135 WeakPolarHBondContact O-CG 3.45Å; K131-K135 PolarHBondContact O-N 3.4Å
132M96.2Very high94.8Very high21 Ų2146.4 Ų46.410%0.10323%0.226CC..Hα-helixtrans-69.2-41.9177-66.3165.970.900111.2L128 G129 E130 K135 R136 Y420 L421 E424 I428 I436L128-M132 HydrophobicContact CD1-SD 4.32Å; L128-M132 HydrophobicContact CG-SD 4.04Å; L128-M132 VanDerWaalsContact O-CG 3.28Å; L128-M132 WeakPolarHBondContact O-CG 3.31Å; L128-M132 PolarHBondContact O-N 2.87Å; L128-M132 VanDerWaalsContact O-N 3.13Å; G129-M132 PolarHBondContact O-N 3.48Å; E130-M132 VanDerWaalsContact C-N 3.27Å; E130-M132 PolarHBondContact O-N 3.13Å; M132-K135 PolarHBondContact O-N 3.02Å; M132-R136 PolarHBondContact O-N 3.18Å; M132-Y420 HydrophobicContact CB-CE1 4.33Å; M132-L421 HydrophobicContact CB-CD2 3.68Å; M132-E424 HydrophobicContact CE-CB 3.14Å; M132-E424 HydrophobicContact CE-CG 3.74Å; M132-I428 HydrophobicContact CE-CD1 4.15Å; M132-I428 HydrophobicContact SD-CD1 4.18Å; M132-I436 HydrophobicContact SD-CD1 4.43Å
133A96.5Very high94.3Very high0 Ų054.8 Ų54.80%026%0.258CS..Hα-helixtrans-63.1-46.1177.100000111.8G129 E130 K135 R136 L137 L417 L421 F443 I504G129-A133 WeakPolarHBondContact O-CB 3.38Å; G129-A133 PolarHBondContact O-N 3.25Å; E130-A133 WeakPolarHBondContact O-CB 3.23Å; E130-A133 PolarHBondContact O-N 2.96Å; E130-A133 VanDerWaalsContact O-N 3.15Å; A133-K135 PolarHBondContact O-N 2.66Å; A133-R136 PolarHBondContact O-N 3.48Å; A133-L137 WeakPolarHBondContact O-CB 3.1Å; A133-L137 PolarHBondContact O-N 3.12Å; A133-L417 HydrophobicContact CB-CD2 4.21Å; A133-L417 VanDerWaalsContact O-CD2 3.23Å; A133-L417 WeakPolarHBondContact O-CD2 3.44Å; A133-L421 HydrophobicContact CB-CD1 4.3Å; A133-F443 HydrophobicContact CB-CZ 4.34Å; A133-I504 HydrophobicContact CB-CG2 4.39Å
134L96.4Very high93.3Very high30 Ų3055.4 Ų55.416%0.15726%0.26CS..Hα-helixtrans-62-44.4178.1-68.8173.3000112.1E130 R136 L137 E138 I504 I505E130-L134 HydrophobicContact CG-CD1 4.23Å; E130-L134 WeakPolarHBondContact O-CG 3.31Å; E130-L134 PolarHBondContact O-N 3.43Å; L134-R136 VanDerWaalsContact C-N 3.3Å; L134-R136 PolarHBondContact O-N 3.47Å; L134-L137 WeakPolarHBondContact O-CB 3.49Å; L134-L137 PolarHBondContact O-N 3.2Å; L134-E138 WeakPolarHBondContact O-CG 3.42Å; L134-E138 PolarHBondContact O-N 3.47Å; L134-I504 HydrophobicContact CD2-CB 4.28Å; L134-I504 HydrophobicContact CD2-CD1 4.45Å; L134-I504 HydrophobicContact CD2-CG2 4.29Å; L134-I504 HydrophobicContact CG-CG2 4.43Å; L134-I505 HydrophobicContact CD1-CD1 4.01Å; L134-I505 HydrophobicContact CD1-CG1 3.7Å; L134-I505 HydrophobicContact CD2-CD1 4.3Å; L134-I505 HydrophobicContact CD2-CG1 4.14Å; L134-I505 HydrophobicContact CG-CG1 4.48Å
135K95.9Very high91.9Very high148 Ų14855.6 Ų55.664%0.64327%0.265SS*.Hα-helixtrans-59.4-41.5174.5-75.6176.9-179.3-176.60112.2K131 M132 A133 A139K131-K135 VanDerWaalsContact O-CG 3.29Å; K131-K135 WeakPolarHBondContact O-CG 3.45Å; K131-K135 PolarHBondContact O-N 3.4Å; M132-K135 PolarHBondContact O-N 3.02Å; A133-K135 PolarHBondContact O-N 2.66Å; K135-A139 WeakPolarHBondContact O-CB 3.35Å; K135-A139 PolarHBondContact O-N 3.04Å; K135-A139 VanDerWaalsContact O-N 3.13Å
136R95.5Very high90.5Very high68 Ų6860.5 Ų60.526%0.25729%0.288SS..Hα-helixtrans-66.8-42.6177-177.560.5176.5167.62.1111.3M132 A133 L134 E138 A139 I140 E416 L417 Y420M132-R136 PolarHBondContact O-N 3.18Å; A133-R136 PolarHBondContact O-N 3.48Å; L134-R136 VanDerWaalsContact C-N 3.3Å; L134-R136 PolarHBondContact O-N 3.47Å; R136-E138 VanDerWaalsContact C-N 3.34Å; R136-E138 PolarHBondContact O-N 3.48Å; R136-A139 WeakPolarHBondContact O-CB 3.36Å; R136-A139 PolarHBondContact O-N 3.02Å; R136-A139 VanDerWaalsContact O-N 3.12Å; R136-I140 WeakPolarHBondContact O-CG1 3.24Å; R136-I140 PolarHBondContact O-N 3.46Å; R136-E416 IonicContact CZ-OE1 3.96Å; R136-E416 IonicContact NE-OE1 2.8Å; R136-E416 PolarHBondContact NE-OE1 2.95Å; R136-E416 IonicContact NH2-OE1 2.73Å; R136-E416 PolarHBondContact NH2-OE1 3.17Å; R136-L417 HydrophobicContact CB-CD2 3.83Å; R136-L417 HydrophobicContact CG-CD2 3.92Å; R136-Y420 HydrophobicContact CB-CD1 3.55Å; R136-Y420 HydrophobicContact CB-CE1 3.76Å; R136-Y420 HydrophobicContact CB-CG 4.04Å; R136-Y420 HydrophobicContact CG-CD1 3.73Å; R136-Y420 HydrophobicContact CG-CD2 4.21Å; R136-Y420 HydrophobicContact CG-CE1 4.31Å; R136-Y420 HydrophobicContact CG-CG 3.67Å
137L94.4Very high89Confident4 Ų467.3 Ų67.32%0.02132%0.32CS..Hα-helixtrans-58.9-45.3177.5-175.768.8000111.4A133 L134 A139 I140 A141 V407 L417 K500 I504A133-L137 WeakPolarHBondContact O-CB 3.1Å; A133-L137 PolarHBondContact O-N 3.12Å; L134-L137 WeakPolarHBondContact O-CB 3.49Å; L134-L137 PolarHBondContact O-N 3.2Å; L137-A139 VanDerWaalsContact C-N 3.3Å; L137-A139 PolarHBondContact O-N 3.3Å; L137-I140 HydrophobicContact CD1-CD1 4.36Å; L137-I140 WeakPolarHBondContact O-CG1 3.13Å; L137-I140 PolarHBondContact O-N 2.98Å; L137-A141 WeakPolarHBondContact O-CB 3.33Å; L137-A141 PolarHBondContact O-N 3.32Å; L137-A141 VanDerWaalsContact O-N 3.1Å; L137-V407 HydrophobicContact CD1-CG1 3.92Å; L137-L417 HydrophobicContact CB-CD2 4.39Å; L137-K500 HydrophobicContact CD1-CB 4Å; L137-K500 HydrophobicContact CD2-CB 3.68Å; L137-I504 HydrophobicContact CD2-CD1 4.17Å
138E93.6Very high88Confident136 Ų13668.8 Ų68.864%0.63633%0.329SS*.Hα-helixtrans-62.1-36.7174.8-72.9177.7-176.800112.5L134 R136L134-E138 WeakPolarHBondContact O-CG 3.42Å; L134-E138 PolarHBondContact O-N 3.47Å; R136-E138 VanDerWaalsContact C-N 3.34Å; R136-E138 PolarHBondContact O-N 3.48Å
139A93.6Very high87.2Confident75 Ų7570.7 Ų70.762%0.6235%0.346SS*.Hα-helixtrans-72.8-32.1-18000000113.5K135 R136 L137K135-A139 WeakPolarHBondContact O-CB 3.35Å; K135-A139 PolarHBondContact O-N 3.04Å; K135-A139 VanDerWaalsContact O-N 3.13Å; R136-A139 WeakPolarHBondContact O-CB 3.36Å; R136-A139 PolarHBondContact O-N 3.02Å; R136-A139 VanDerWaalsContact O-N 3.12Å; L137-A139 VanDerWaalsContact C-N 3.3Å; L137-A139 PolarHBondContact O-N 3.3Å
140I92.6Very high86.4Confident14 Ų1475.4 Ų75.47%0.07238%0.378CS..Hα-helixtrans-88.5-10.5177.666.8176.5000113.1R136 L137 C142 V407 E416R136-I140 WeakPolarHBondContact O-CG1 3.24Å; R136-I140 PolarHBondContact O-N 3.46Å; L137-I140 HydrophobicContact CD1-CD1 4.36Å; L137-I140 WeakPolarHBondContact O-CG1 3.13Å; L137-I140 PolarHBondContact O-N 2.98Å; I140-C142 PolarHBondContact O-N 3.43Å; I140-V407 HydrophobicContact CG1-CG1 4.45Å; I140-E416 HydrophobicContact CD1-CB 4.47Å; I140-E416 HydrophobicContact CD1-CG 4.13Å; I140-E416 HydrophobicContact CG2-CG 4.31Å
141A91.1Very high85.6Confident16 Ų1680.2 Ų80.213%0.13240%0.401CS..  trans-69.1123.1-177.100000111.5L137 R143 A405 F406 V407 A497L137-A141 WeakPolarHBondContact O-CB 3.33Å; L137-A141 PolarHBondContact O-N 3.32Å; L137-A141 VanDerWaalsContact O-N 3.1Å; A141-R143 PolarHBondContact O-N 3.49Å; A141-A405 HydrophobicContact CB-CB 4.09Å; A141-F406 WeakPolarHBondContact CA-O 3.35Å; A141-V407 HydrophobicContact CB-CG1 4.13Å; A141-A497 HydrophobicContact CB-CB 4.16Å
142C86.5Confident84.9Confident28 Ų2876.1 Ų76.119%0.18938%0.384CS..EExtended strand (participates in β ladder)trans-77.6114.5174-70.90000109.3I140 F406 W475 F489I140-C142 PolarHBondContact O-N 3.43Å; C142-F406 PolarHBondContact N-O 3.47Å; C142-F406 PolarHBondContact O-N 3.16Å; C142-W475 WeakPolarHBondContact SG-CZ2 3.35Å; C142-F489 HydrophobicContact CB-CE2 3.95Å; C142-F489 HydrophobicContact CB-CZ 3.95Å
143R84.6Confident84.5Confident176 Ų17679 Ų7966%0.66439%0.394SS*.EExtended strand (participates in β ladder)trans-88.8110.9172.1-64.9-172.1-170.9175.50.8110A141 D404 A405A141-R143 PolarHBondContact O-N 3.49Å; R143-D404 WeakPolarHBondContact CA-O 3.35Å; R143-A405 HydrophobicContact CG-CB 4.35Å
144I74.4Confident84Confident40 Ų4081.3 Ų81.321%0.20541%0.412CS..  trans-95.5110.9-179.4-63.5156.9000107.9Q146 L155 D404 F406 W494I144-Q146 PolarHBondContact O-N 3.36Å; I144-L155 HydrophobicContact CB-CD2 4.15Å; I144-L155 HydrophobicContact CD1-CD1 4.04Å; I144-L155 HydrophobicContact CD1-CD2 3.9Å; I144-L155 HydrophobicContact CG2-CD2 4.01Å; I144-D404 PolarHBondContact N-O 2.86Å; I144-F406 HydrophobicContact CD1-CD2 3.79Å; I144-F406 HydrophobicContact CD1-CE2 4.38Å; I144-F406 HydrophobicContact CD1-CG 4.38Å; I144-F406 HydrophobicContact CG1-CD2 4.48Å; I144-W494 HydrophobicContact CD1-CE3 3.83Å; I144-W494 HydrophobicContact CD1-CH2 3.96Å; I144-W494 HydrophobicContact CD1-CZ3 3.19Å
145K66.3Low83.6Confident151 Ų15180.4 Ų80.466%0.65741%0.408SS*.  trans-64132.1178.1-66.5-172.4179.4-179.50110E147K145-E147 HydrophobicContact CB-CG 4.15Å; K145-E147 VanDerWaalsContact CD-OE1 3.29Å; K145-E147 WeakPolarHBondContact CD-OE1 3.47Å; K145-E147 IonicContact NZ-OE1 2.72Å; K145-E147 PolarHBondContact O-N 3.16Å
146Q65.2Low83.3Confident103 Ų10373.8 Ų73.848%0.48138%0.379SS..THydrogen-bonded Turntrans-75.332.5-177-57.7-178.8-9.500113.5I144 V401I144-Q146 PolarHBondContact O-N 3.36Å; Q146-V401 PolarHBondContact NE2-O 3.37Å
147E65.3Low83.1Confident144 Ų14472.5 Ų72.567%0.67338%0.376SS*.THydrogen-bonded Turntrans-73.4-34.4-171.3-69.7176.6-164.600112.3K145K145-E147 HydrophobicContact CB-CG 4.15Å; K145-E147 VanDerWaalsContact CD-OE1 3.29Å; K145-E147 WeakPolarHBondContact CD-OE1 3.47Å; K145-E147 IonicContact NZ-OE1 2.72Å; K145-E147 PolarHBondContact O-N 3.16Å
148N75.9Confident82.8Confident83 Ų8376.4 Ų76.444%0.44439%0.393SS..  trans-109.4112.1179.6-75.6-21.7000111.6S150 E151 Q152N148-S150 PolarHBondContact O-N 3.26Å; N148-E151 HydrophobicContact CB-CB 4Å; N148-E151 HydrophobicContact CB-CG 3.93Å; N148-E151 PolarHBondContact ND2-OE1 3.23Å; N148-E151 PolarHBondContact O-N 3.09Å; N148-E151 VanDerWaalsContact O-N 3.14Å; N148-Q152 PolarHBondContact O-N 2.96Å
149P78.1Confident82.6Confident102 Ų10270 Ų7066%0.66236%0.363SS*.Hα-helixtrans-58-33.1179.7-26.734.1000114.1R153P149-R153 WeakPolarHBondContact O-CB 3.28Å; P149-R153 PolarHBondContact O-N 3.41Å
150S80.3Confident82.5Confident99 Ų9966.4 Ų66.469%0.69233%0.333SS*.Hα-helixtrans-68.2-42.6178.3-171.90000112.1N148 R153 A154N148-S150 PolarHBondContact O-N 3.26Å; S150-R153 PolarHBondContact O-N 3Å; S150-A154 PolarHBondContact O-N 2.89Å
151E79.6Confident82.5Confident115 Ų11567 Ų6754%0.53734%0.339SS..Hα-helixtrans-68.3-40.6176.7-69.9174.9-157.800111N148 R153 A154 L155N148-E151 HydrophobicContact CB-CB 4Å; N148-E151 HydrophobicContact CB-CG 3.93Å; N148-E151 PolarHBondContact ND2-OE1 3.23Å; N148-E151 PolarHBondContact O-N 3.09Å; N148-E151 VanDerWaalsContact O-N 3.14Å; E151-R153 VanDerWaalsContact C-N 3.31Å; E151-R153 PolarHBondContact O-N 3.3Å; E151-A154 PolarHBondContact O-N 3.26Å; E151-L155 VanDerWaalsContact O-CB 3.28Å; E151-L155 WeakPolarHBondContact O-CB 3.49Å; E151-L155 PolarHBondContact O-N 3.3Å
152Q81.7Confident82.4Confident46 Ų4667.3 Ų67.322%0.21534%0.339CS..Hα-helixtrans-60.4-41.9174-172.2179.616.700111.3N148 L155 L156N148-Q152 PolarHBondContact O-N 2.96Å; Q152-L155 WeakPolarHBondContact O-CB 3.44Å; Q152-L155 PolarHBondContact O-N 3.18Å; Q152-L156 HydrophobicContact CG-CD1 4.33Å; Q152-L156 VanDerWaalsContact O-CG 3.26Å; Q152-L156 WeakPolarHBondContact O-CG 3.36Å; Q152-L156 PolarHBondContact O-N 2.94Å
153R87.3Confident82.5Confident82 Ų8266.1 Ų66.131%0.30933%0.331SS..Hα-helixtrans-61.9-49.4175.6-172.6-172.817394.91.5111.5P149 S150 E151 L155 L156 E157 V181 D182P149-R153 WeakPolarHBondContact O-CB 3.28Å; P149-R153 PolarHBondContact O-N 3.41Å; S150-R153 PolarHBondContact O-N 3Å; E151-R153 VanDerWaalsContact C-N 3.31Å; E151-R153 PolarHBondContact O-N 3.3Å; R153-L155 PolarHBondContact O-N 3.27Å; R153-L156 PolarHBondContact O-N 3.43Å; R153-L156 VanDerWaalsContact O-N 3.15Å; R153-E157 IonicContact CZ-OE1 3.72Å; R153-E157 IonicContact NE-OE1 3.81Å; R153-E157 PolarHBondContact NE-OE1 2.83Å; R153-E157 IonicContact NH2-OE1 2.7Å; R153-E157 PolarHBondContact NH2-OE1 3.28Å; R153-E157 WeakPolarHBondContact O-CG 3.43Å; R153-E157 PolarHBondContact O-N 3.22Å; R153-V181 HydrophobicContact CG-CG1 3.98Å; R153-D182 IonicContact CZ-OD1 2.79Å; R153-D182 IonicContact NH1-OD1 2.97Å; R153-D182 PolarHBondContact NH1-OD1 2.9Å; R153-D182 VanDerWaalsContact NH2-CG 3.33Å; R153-D182 IonicContact NH2-OD1 2.72Å; R153-D182 PolarHBondContact NH2-OD1 3.48Å; R153-D182 IonicContact NH2-OD2 3.08Å; R153-D182 PolarHBondContact NH2-OD2 2.85Å
154A86.9Confident82.8Confident47 Ų4757.8 Ų57.839%0.38830%0.3SS..Hα-helixtrans-59.5-37.1178.900000112.1S150 E151 K158S150-A154 PolarHBondContact O-N 2.89Å; E151-A154 PolarHBondContact O-N 3.26Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-N 2.91Å
155L86.1Confident83.3Confident12 Ų1257 Ų576%0.06330%0.298CS..Hα-helixtrans-61.4-49.4173.2164.258.2000112.4I144 E151 Q152 R153 E157 K158 C159 F406 W494I144-L155 HydrophobicContact CB-CD2 4.15Å; I144-L155 HydrophobicContact CD1-CD1 4.04Å; I144-L155 HydrophobicContact CD1-CD2 3.9Å; I144-L155 HydrophobicContact CG2-CD2 4.01Å; E151-L155 VanDerWaalsContact O-CB 3.28Å; E151-L155 WeakPolarHBondContact O-CB 3.49Å; E151-L155 PolarHBondContact O-N 3.3Å; Q152-L155 WeakPolarHBondContact O-CB 3.44Å; Q152-L155 PolarHBondContact O-N 3.18Å; R153-L155 PolarHBondContact O-N 3.27Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 3.01Å; L155-K158 PolarHBondContact O-N 3.1Å; L155-C159 PolarHBondContact O-N 3.2Å; L155-C159 PolarHBondContact O-SG 2.85Å; L155-F406 HydrophobicContact CD1-CD1 4.11Å; L155-F406 HydrophobicContact CD1-CD2 4.31Å; L155-F406 HydrophobicContact CD1-CE1 3.93Å; L155-F406 HydrophobicContact CD1-CE2 4.15Å; L155-F406 HydrophobicContact CD1-CG 4.3Å; L155-F406 HydrophobicContact CD1-CZ 3.96Å; L155-F406 HydrophobicContact CD2-CD2 4.32Å; L155-F406 HydrophobicContact CD2-CE2 3.64Å; L155-F406 HydrophobicContact CD2-CZ 3.79Å; L155-F406 HydrophobicContact CG-CE1 4.39Å; L155-F406 HydrophobicContact CG-CE2 4.28Å; L155-F406 HydrophobicContact CG-CZ 4.02Å; L155-W494 HydrophobicContact CD1-CD2 4.29Å; L155-W494 HydrophobicContact CD1-CE3 3.08Å; L155-W494 HydrophobicContact CD1-CZ3 3.27Å; L155-W494 HydrophobicContact CG-CE3 4.5Å; L155-W494 HydrophobicContact CG-CZ3 4.39Å
156L89.6Confident84Confident8 Ų851 Ų514%0.04228%0.275CS..Hα-helixtrans-64.9-37.7178.8-65.6173000111.5Q152 R153 K158 C159 A160 V181 V397 A400 V401Q152-L156 HydrophobicContact CG-CD1 4.33Å; Q152-L156 VanDerWaalsContact O-CG 3.26Å; Q152-L156 WeakPolarHBondContact O-CG 3.36Å; Q152-L156 PolarHBondContact O-N 2.94Å; R153-L156 PolarHBondContact O-N 3.43Å; R153-L156 VanDerWaalsContact O-N 3.15Å; L156-K158 VanDerWaalsContact C-N 3.35Å; L156-C159 PolarHBondContact O-N 2.86Å; L156-A160 WeakPolarHBondContact O-CB 3.48Å; L156-A160 PolarHBondContact O-N 3.35Å; L156-V181 HydrophobicContact CB-CG1 4.2Å; L156-V181 HydrophobicContact CB-CG2 3.77Å; L156-V397 HydrophobicContact CB-CG1 4.3Å; L156-V397 HydrophobicContact CD1-CG1 4.49Å; L156-V397 HydrophobicContact CD2-CG1 4.16Å; L156-A400 HydrophobicContact CD2-CB 3.65Å; L156-V401 HydrophobicContact CD1-CG2 3.73Å; L156-V401 HydrophobicContact CD2-CG2 3.88Å; L156-V401 HydrophobicContact CG-CG2 4.48Å
157E91.8Very high84.8Confident41 Ų4146.9 Ų46.919%0.19226%0.256CS..Hα-helixtrans-63.4-39.8175.2-73.7-177.8-168.400111.6R153 L155 S161 V181R153-E157 IonicContact CZ-OE1 3.72Å; R153-E157 IonicContact NE-OE1 3.81Å; R153-E157 PolarHBondContact NE-OE1 2.83Å; R153-E157 IonicContact NH2-OE1 2.7Å; R153-E157 PolarHBondContact NH2-OE1 3.28Å; R153-E157 WeakPolarHBondContact O-CG 3.43Å; R153-E157 PolarHBondContact O-N 3.22Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 3.01Å; E157-S161 VanDerWaalsContact O-CB 3.29Å; E157-S161 WeakPolarHBondContact O-CB 3.29Å; E157-S161 PolarHBondContact O-N 3.41Å; E157-V181 HydrophobicContact CB-CG2 4.47Å; E157-V181 HydrophobicContact CG-CB 4.24Å; E157-V181 HydrophobicContact CG-CG1 4.44Å; E157-V181 HydrophobicContact CG-CG2 3.85Å
158K88.9Confident85.6Confident86 Ų8642.2 Ų42.237%0.37424%0.235SC..Hα-helixtrans-63.4-48173.7-75.2176.8179.7-177.10111.8A154 L155 L156 A160 S161 T162A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-N 2.91Å; L155-K158 PolarHBondContact O-N 3.1Å; L156-K158 VanDerWaalsContact C-N 3.35Å; K158-A160 VanDerWaalsContact C-N 3.35Å; K158-A160 PolarHBondContact O-N 3.38Å; K158-S161 WeakPolarHBondContact O-CB 3.5Å; K158-S161 PolarHBondContact O-N 3.06Å; K158-S161 VanDerWaalsContact O-N 3.15Å; K158-T162 PolarHBondContact O-N 3.3Å; K158-T162 PolarHBondContact O-OG1 2.87Å
159C89.3Confident86.1Confident1 Ų138.2 Ų38.21%0.00721%0.214CC..Hα-helixtrans-60.7-43.9178.2-63.80000111.9L155 L156 S161 T162 A163 V396 F406L155-C159 PolarHBondContact O-N 3.2Å; L155-C159 PolarHBondContact O-SG 2.85Å; L156-C159 PolarHBondContact O-N 2.86Å; C159-S161 VanDerWaalsContact C-N 3.34Å; C159-S161 PolarHBondContact O-N 3.17Å; C159-T162 PolarHBondContact O-N 2.95Å; C159-A163 PolarHBondContact O-N 3.01Å; C159-V396 HydrophobicContact CB-CG1 4.48Å; C159-F406 WeakPolarHBondContact SG-CE1 3.27Å
160A91.7Very high86.4Confident0 Ų034.8 Ų34.80%019%0.194CC..Hα-helixtrans-61.4-43.5174.800000111.4L156 K158 T162 A163 L164 V181 V397L156-A160 WeakPolarHBondContact O-CB 3.48Å; L156-A160 PolarHBondContact O-N 3.35Å; K158-A160 VanDerWaalsContact C-N 3.35Å; K158-A160 PolarHBondContact O-N 3.38Å; A160-T162 VanDerWaalsContact C-N 3.31Å; A160-T162 PolarHBondContact O-N 3.33Å; A160-A163 PolarHBondContact O-N 3.18Å; A160-L164 VanDerWaalsContact O-CG 3.27Å; A160-L164 WeakPolarHBondContact O-CG 3.38Å; A160-L164 PolarHBondContact O-N 3.41Å; A160-V181 HydrophobicContact CB-CG2 4.49Å; A160-V397 HydrophobicContact CB-CG2 3.65Å
161S91.9Very high86.8Confident28 Ų2833.7 Ų33.720%0.19620%0.198CC..Hα-helixtrans-62.3-37.1176.9179.20000112.3E157 K158 C159 S165E157-S161 VanDerWaalsContact O-CB 3.29Å; E157-S161 WeakPolarHBondContact O-CB 3.29Å; E157-S161 PolarHBondContact O-N 3.41Å; K158-S161 WeakPolarHBondContact O-CB 3.5Å; K158-S161 PolarHBondContact O-N 3.06Å; K158-S161 VanDerWaalsContact O-N 3.15Å; C159-S161 VanDerWaalsContact C-N 3.34Å; C159-S161 PolarHBondContact O-N 3.17Å; S161-S165 PolarHBondContact O-N 3.4Å
162T89Confident87.3Confident22 Ų2232.4 Ų32.414%0.13519%0.189CC..Hα-helixtrans-65.3-47.4175.1-60.30000111.1K158 C159 A160 L164 S165 V493 E495K158-T162 PolarHBondContact O-N 3.3Å; K158-T162 PolarHBondContact O-OG1 2.87Å; C159-T162 PolarHBondContact O-N 2.95Å; A160-T162 VanDerWaalsContact C-N 3.31Å; A160-T162 PolarHBondContact O-N 3.33Å; T162-L164 VanDerWaalsContact C-N 3.26Å; T162-L164 PolarHBondContact O-N 3.05Å; T162-S165 WeakPolarHBondContact O-CB 3.45Å; T162-S165 PolarHBondContact O-N 3.23Å; T162-S165 VanDerWaalsContact O-N 3.13Å; T162-S165 PolarHBondContact O-OG 3Å; T162-V493 HydrophobicContact CG2-CG1 3.94Å; T162-E495 HydrophobicContact CG2-CG 4.04Å
163A88.7Confident87.6Confident3 Ų332.8 Ų32.83%0.02519%0.19CC..Hα-helixtrans-63.8-28178.800000113.8C159 A160 K167 A393 V396C159-A163 PolarHBondContact O-N 3.01Å; A160-A163 PolarHBondContact O-N 3.18Å; A163-K167 VanDerWaalsContact O-CE 3.22Å; A163-K167 WeakPolarHBondContact O-CE 3.45Å; A163-A393 HydrophobicContact CB-CB 4.44Å; A163-V396 HydrophobicContact CB-CB 4.32Å; A163-V396 HydrophobicContact CB-CG1 4.4Å; A163-V396 HydrophobicContact CB-CG2 4.09Å
164L90Very high87.8Confident0 Ų036 Ų360%021%0.209CC..THydrogen-bonded Turntrans-87.1-8.6178.2-65.8173.7000113.5A160 T162 S166 K167 V169 K173 F176 S389 L390 A393A160-L164 VanDerWaalsContact O-CG 3.27Å; A160-L164 WeakPolarHBondContact O-CG 3.38Å; A160-L164 PolarHBondContact O-N 3.41Å; T162-L164 VanDerWaalsContact C-N 3.26Å; T162-L164 PolarHBondContact O-N 3.05Å; L164-S166 PolarHBondContact O-N 3.39Å; L164-K167 PolarHBondContact O-N 3.33Å; L164-V169 HydrophobicContact CB-CG2 4.4Å; L164-V169 HydrophobicContact CD2-CG2 3.8Å; L164-K173 HydrophobicContact CB-CB 4.25Å; L164-F176 HydrophobicContact CD1-CB 3.75Å; L164-S389 WeakPolarHBondContact CD2-O 3.45Å; L164-L390 HydrophobicContact CD2-CD2 4.47Å; L164-A393 HydrophobicContact CD1-CB 4.36Å; L164-A393 HydrophobicContact CD2-CB 3.7Å; L164-A393 HydrophobicContact CG-CB 3.87Å
165S86Confident88.1Confident25 Ų2537.3 Ų37.318%0.17521%0.206CC..THydrogen-bonded Turntrans-69.6-27-16866.30000115P43 S161 T162 A170P43-S165 WeakPolarHBondContact CA-O 3.25Å; S161-S165 PolarHBondContact O-N 3.4Å; T162-S165 WeakPolarHBondContact O-CB 3.45Å; T162-S165 PolarHBondContact O-N 3.23Å; T162-S165 VanDerWaalsContact O-N 3.13Å; T162-S165 PolarHBondContact O-OG 3Å; S165-A170 VanDerWaalsContact O-CB 3.29Å; S165-A170 WeakPolarHBondContact O-CB 3.33Å
166S80.9Confident88.5Confident24 Ų2436.8 Ų36.817%0.16820%0.203CC..THydrogen-bonded Turntrans-93.84.3-179.760.90000115G42 N61 L164G42-S166 WeakPolarHBondContact O-CB 3.35Å; N61-S166 PolarHBondContact ND2-O 3.35Å; N61-S166 PolarHBondContact OD1-O 2.92Å; L164-S166 PolarHBondContact O-N 3.39Å
167K82.5Confident88.7Confident16 Ų1636.7 Ų36.77%0.0720%0.203CC..SBendtrans-110.3166.7-168.7-53.4-172.2-174.1178.10111.1A163 L164 V169 A170 S389 D392A163-K167 VanDerWaalsContact O-CE 3.22Å; A163-K167 WeakPolarHBondContact O-CE 3.45Å; L164-K167 PolarHBondContact O-N 3.33Å; K167-V169 HydrophobicContact CB-CG2 4.07Å; K167-V169 PolarHBondContact O-N 3.17Å; K167-A170 WeakPolarHBondContact O-CB 3.29Å; K167-A170 PolarHBondContact O-N 3.41Å; K167-S389 WeakPolarHBondContact CB-OG 3.31Å; K167-S389 VanDerWaalsContact CD-CB 3.45Å; K167-S389 VanDerWaalsContact CD-OG 3.22Å; K167-S389 WeakPolarHBondContact CD-OG 3.5Å; K167-D392 VanDerWaalsContact NZ-CG 3.31Å; K167-D392 IonicContact NZ-OD2 2.95Å; K167-D392 PolarHBondContact NZ-OD2 2.96Å
168L81.7Confident88.8Confident46 Ų4640 Ų4024%0.24122%0.217CC..THydrogen-bonded Turntrans-53.7-24176.8-74.4-179.3000113.7D47 I59 A170 F382 E385D47-L168 WeakPolarHBondContact OD2-CD2 3.43Å; I59-L168 HydrophobicContact CG2-CD1 4.28Å; L168-A170 VanDerWaalsContact C-N 3.34Å; L168-F382 HydrophobicContact CD1-CD1 4.08Å; L168-F382 HydrophobicContact CD1-CE1 4.01Å; L168-F382 HydrophobicContact CD1-CZ 4.47Å; L168-F382 HydrophobicContact CD2-CE1 4.18Å; L168-E385 HydrophobicContact CB-CG 4.26Å; L168-E385 HydrophobicContact CD1-CB 3.96Å; L168-E385 HydrophobicContact CD1-CG 3.71Å; L168-E385 HydrophobicContact CG-CG 4.09Å
169V85.9Confident89Confident0 Ų036.4 Ų36.40%020%0.202CC..THydrogen-bonded Turntrans-87.14179.6-62.50000114.2L164 K167 G171 Y172 K173 F176 T386L164-V169 HydrophobicContact CB-CG2 4.4Å; L164-V169 HydrophobicContact CD2-CG2 3.8Å; K167-V169 HydrophobicContact CB-CG2 4.07Å; K167-V169 PolarHBondContact O-N 3.17Å; V169-G171 PolarHBondContact O-N 3.06Å; V169-Y172 CarbonylContact O-C 3.6Å; V169-Y172 WeakPolarHBondContact O-CA 3.23Å; V169-Y172 PolarHBondContact O-N 3.1Å; V169-K173 PolarHBondContact O-N 3.28Å; V169-F176 HydrophobicContact CB-CD2 4.18Å; V169-F176 HydrophobicContact CB-CE2 4.31Å; V169-F176 HydrophobicContact CG1-CE2 4.23Å; V169-T386 HydrophobicContact CG1-CG2 3.82Å; V169-T386 WeakPolarHBondContact CG1-OG1 3.2Å
170A85.4Confident89.3Confident30 Ų3036.4 Ų36.425%0.24820%0.201CC..G310 helixtrans-55.7-35.6-176.500000113.3S165 K167 L168 Y172 K173S165-A170 VanDerWaalsContact O-CB 3.29Å; S165-A170 WeakPolarHBondContact O-CB 3.33Å; K167-A170 WeakPolarHBondContact O-CB 3.29Å; K167-A170 PolarHBondContact O-N 3.41Å; L168-A170 VanDerWaalsContact C-N 3.34Å; A170-Y172 PolarHBondContact O-N 3.45Å; A170-K173 WeakPolarHBondContact O-CB 3.42Å; A170-K173 WeakPolarHBondContact O-CD 3.48Å; A170-K173 VanDerWaalsContact O-CG 3.27Å; A170-K173 WeakPolarHBondContact O-CG 3.37Å; A170-K173 PolarHBondContact O-N 3.4Å
171G87.1Confident89.3Confident76 Ų7636.4 Ų36.478%0.78420%0.201SC*.G310 helixtrans-61.9-27.6175.600000113.8V169V169-G171 PolarHBondContact O-N 3.06Å
172Y90Very high89.3Confident88 Ų8837.8 Ų37.835%0.34521%0.207SC..G310 helixtrans-10916.7-178.7-55-74.7000112.4V169 A170 Q174 F175 F176 L206 E207V169-Y172 CarbonylContact O-C 3.6Å; V169-Y172 WeakPolarHBondContact O-CA 3.23Å; V169-Y172 PolarHBondContact O-N 3.1Å; A170-Y172 PolarHBondContact O-N 3.45Å; Y172-Q174 PolarHBondContact O-N 3.45Å; Y172-Q174 VanDerWaalsContact O-N 3.13Å; Y172-F175 PolarHBondContact O-N 3.08Å; Y172-F176 PolarHBondContact O-N 3.41Å; Y172-F176 VanDerWaalsContact O-N 3.13Å; Y172-L206 HydrophobicContact CD2-CB 4.23Å; Y172-L206 HydrophobicContact CD2-CD1 3.8Å; Y172-L206 HydrophobicContact CE2-CB 4.31Å; Y172-L206 HydrophobicContact CE2-CD1 3.69Å; Y172-E207 HydrophobicContact CD1-CG 3.46Å; Y172-E207 VanDerWaalsContact CD1-CG 3.46Å; Y172-E207 VanDerWaalsContact CD1-OE1 3.24Å; Y172-E207 WeakPolarHBondContact CD1-OE1 3.25Å; Y172-E207 HydrophobicContact CE1-CG 3.6Å; Y172-E207 VanDerWaalsContact CE1-OE1 3.24Å; Y172-E207 WeakPolarHBondContact CE1-OE1 3.25Å; Y172-E207 HydrophobicContact CG-CG 4.47Å
173K89.7Confident89.5Confident53 Ų5336.7 Ų36.723%0.2320%0.2CC..Hα-helixtrans-55.5-34.8-17368.5-172.3178.6-174.50113.7L164 V169 A170 S177 E481L164-K173 HydrophobicContact CB-CB 4.25Å; V169-K173 PolarHBondContact O-N 3.28Å; A170-K173 WeakPolarHBondContact O-CB 3.42Å; A170-K173 WeakPolarHBondContact O-CD 3.48Å; A170-K173 VanDerWaalsContact O-CG 3.27Å; A170-K173 WeakPolarHBondContact O-CG 3.37Å; A170-K173 PolarHBondContact O-N 3.4Å; K173-S177 WeakPolarHBondContact O-CB 3.3Å; K173-S177 PolarHBondContact O-N 3.49Å; K173-S177 PolarHBondContact O-OG 2.88Å; K173-E481 IonicContact NZ-OE1 2.97Å; K173-E481 PolarHBondContact NZ-OE1 3.26Å; K173-E481 VanDerWaalsContact NZ-OE1 3.16Å
174Q91.2Very high89.6Confident150 Ų15036.7 Ų36.770%0.70120%0.2SC*.Hα-helixtrans-68.8-33.8179.5-67.1-177.2-2.900113.4Y172 S177 K178Y172-Q174 PolarHBondContact O-N 3.45Å; Y172-Q174 VanDerWaalsContact O-N 3.13Å; Q174-S177 PolarHBondContact O-OG 3.06Å; Q174-S177 VanDerWaalsContact O-OG 3.12Å; Q174-K178 WeakPolarHBondContact O-CG 3.42Å
175F93.4Very high89.5Confident75 Ų7540.1 Ų40.133%0.32922%0.223SC..Hα-helixtrans-74.5-50.8177.7173.4-100.4000110Y172 S177 K178 L179 E207 S209Y172-F175 PolarHBondContact O-N 3.08Å; F175-S177 PolarHBondContact O-N 3.47Å; F175-K178 PolarHBondContact O-N 3.43Å; F175-L179 HydrophobicContact CE1-CD1 4Å; F175-L179 HydrophobicContact CZ-CD1 4.2Å; F175-L179 PolarHBondContact O-N 2.92Å; F175-L179 VanDerWaalsContact O-N 3.17Å; F175-E207 VanDerWaalsContact CZ-O 3.32Å; F175-E207 WeakPolarHBondContact CZ-O 3.43Å; F175-S209 VanDerWaalsContact CZ-O 3.3Å; F175-S209 WeakPolarHBondContact CZ-O 3.18Å
176F94.3Very high89.5Confident0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-69.1-31.9-179.3-75.9-59.4000113.3L164 V169 Y172 K178 L179 V180 L206 L375 T386 L390L164-F176 HydrophobicContact CD1-CB 3.75Å; V169-F176 HydrophobicContact CB-CD2 4.18Å; V169-F176 HydrophobicContact CB-CE2 4.31Å; V169-F176 HydrophobicContact CG1-CE2 4.23Å; Y172-F176 PolarHBondContact O-N 3.41Å; Y172-F176 VanDerWaalsContact O-N 3.13Å; F176-K178 PolarHBondContact O-N 3.3Å; F176-L179 HydrophobicContact CD1-CD1 4.47Å; F176-L179 PolarHBondContact O-N 2.87Å; F176-V180 WeakPolarHBondContact O-CB 3.41Å; F176-V180 WeakPolarHBondContact O-CG2 3.46Å; F176-V180 PolarHBondContact O-N 3.05Å; F176-L206 HydrophobicContact CE2-CB 4.28Å; F176-L206 HydrophobicContact CZ-CB 4.22Å; F176-L206 HydrophobicContact CZ-CD2 4.42Å; F176-L375 HydrophobicContact CE1-CD2 4.1Å; F176-T386 HydrophobicContact CE1-CG2 4.34Å; F176-T386 HydrophobicContact CE2-CG2 4.49Å; F176-T386 HydrophobicContact CZ-CG2 3.98Å; F176-L390 HydrophobicContact CB-CD2 3.79Å; F176-L390 HydrophobicContact CD1-CD1 3.99Å; F176-L390 HydrophobicContact CD1-CD2 3.59Å; F176-L390 HydrophobicContact CD1-CG 4.33Å; F176-L390 HydrophobicContact CE1-CD1 4.03Å; F176-L390 HydrophobicContact CE1-CD2 4.4Å; F176-L390 HydrophobicContact CG-CD2 3.86Å
177S93.2Very high89.7Confident6 Ų641.3 Ų41.34%0.04223%0.226CC..Hα-helixtrans-61-45.6175.962.30000111.6K173 Q174 F175 V180 V181K173-S177 WeakPolarHBondContact O-CB 3.3Å; K173-S177 PolarHBondContact O-N 3.49Å; K173-S177 PolarHBondContact O-OG 2.88Å; Q174-S177 PolarHBondContact O-OG 3.06Å; Q174-S177 VanDerWaalsContact O-OG 3.12Å; F175-S177 PolarHBondContact O-N 3.47Å; S177-V180 PolarHBondContact O-N 3.33Å; S177-V181 VanDerWaalsContact O-CG2 3.27Å; S177-V181 WeakPolarHBondContact O-CG2 3.45Å; S177-V181 PolarHBondContact O-N 2.82Å
178K94Very high89.5Confident111 Ų11143.3 Ų43.348%0.48324%0.237SC..Hα-helixtrans-60.8-48175-69.4177.3-179.6179.10111.3Q174 F175 F176 V180 V181 D182Q174-K178 WeakPolarHBondContact O-CG 3.42Å; F175-K178 PolarHBondContact O-N 3.43Å; F176-K178 PolarHBondContact O-N 3.3Å; K178-V180 PolarHBondContact O-N 3.39Å; K178-V181 PolarHBondContact O-N 2.97Å; K178-D182 WeakPolarHBondContact O-CB 3.46Å; K178-D182 VanDerWaalsContact O-CG 3.27Å; K178-D182 PolarHBondContact O-N 3.25Å
179L93.9Very high89.2Confident11 Ų1146 Ų466%0.05826%0.26CS..Hα-helixtrans-58.9-45.3179.7-166.9160.4000111.8F175 F176 D182 A183 L211 I373F175-L179 HydrophobicContact CE1-CD1 4Å; F175-L179 HydrophobicContact CZ-CD1 4.2Å; F175-L179 PolarHBondContact O-N 2.92Å; F175-L179 VanDerWaalsContact O-N 3.17Å; F176-L179 HydrophobicContact CD1-CD1 4.47Å; F176-L179 PolarHBondContact O-N 2.87Å; L179-D182 PolarHBondContact O-N 3.19Å; L179-A183 WeakPolarHBondContact O-CB 3.45Å; L179-A183 PolarHBondContact O-N 3.1Å; L179-L211 HydrophobicContact CD2-CB 4.41Å; L179-L211 HydrophobicContact CG-CB 4.14Å; L179-I373 HydrophobicContact CD2-CB 4.34Å; L179-I373 HydrophobicContact CD2-CD1 3.55Å; L179-I373 HydrophobicContact CD2-CG1 3.68Å; L179-I373 HydrophobicContact CD2-CG2 3.78Å
180V94.1Very high88.9Confident0 Ų054.9 Ų54.90%030%0.295CS..Hα-helixtrans-63.1-45.1177.1168.30000111.1F176 S177 K178 A183 V184 L390 A393 I394 V397F176-V180 WeakPolarHBondContact O-CB 3.41Å; F176-V180 WeakPolarHBondContact O-CG2 3.46Å; F176-V180 PolarHBondContact O-N 3.05Å; S177-V180 PolarHBondContact O-N 3.33Å; K178-V180 PolarHBondContact O-N 3.39Å; V180-A183 PolarHBondContact O-N 2.99Å; V180-V184 WeakPolarHBondContact O-CG2 3.39Å; V180-V184 PolarHBondContact O-N 3.38Å; V180-L390 HydrophobicContact CG2-CD2 3.59Å; V180-A393 HydrophobicContact CG1-CB 4.24Å; V180-A393 HydrophobicContact CG2-CB 4.19Å; V180-I394 HydrophobicContact CB-CG1 4.48Å; V180-I394 HydrophobicContact CG1-CB 4.43Å; V180-I394 HydrophobicContact CG1-CG1 3.8Å; V180-I394 HydrophobicContact CG2-CG1 4.2Å; V180-V397 HydrophobicContact CG1-CB 4.25Å; V180-V397 HydrophobicContact CG1-CG2 3.88Å
181V93.1Very high88.7Confident0 Ų053.9 Ų53.90%029%0.285CS..Hα-helixtrans-63.7-44.2178.3172.90000110.8R153 L156 E157 A160 S177 K178 A183 V184 S185 V397R153-V181 HydrophobicContact CG-CG1 3.98Å; L156-V181 HydrophobicContact CB-CG1 4.2Å; L156-V181 HydrophobicContact CB-CG2 3.77Å; E157-V181 HydrophobicContact CB-CG2 4.47Å; E157-V181 HydrophobicContact CG-CB 4.24Å; E157-V181 HydrophobicContact CG-CG1 4.44Å; E157-V181 HydrophobicContact CG-CG2 3.85Å; A160-V181 HydrophobicContact CB-CG2 4.49Å; S177-V181 VanDerWaalsContact O-CG2 3.27Å; S177-V181 WeakPolarHBondContact O-CG2 3.45Å; S177-V181 PolarHBondContact O-N 2.82Å; K178-V181 PolarHBondContact O-N 2.97Å; V181-A183 VanDerWaalsContact C-N 3.34Å; V181-A183 PolarHBondContact O-N 2.92Å; V181-V184 PolarHBondContact O-N 3.05Å; V181-S185 VanDerWaalsContact O-CB 3.3Å; V181-S185 WeakPolarHBondContact O-CB 3.46Å; V181-S185 PolarHBondContact O-N 3.42Å; V181-S185 PolarHBondContact O-OG 2.97Å; V181-S185 VanDerWaalsContact O-OG 3.04Å; V181-V397 HydrophobicContact CG2-CG1 4.35Å; V181-V397 HydrophobicContact CG2-CG2 4.41Å
182D92.1Very high88.5Confident57 Ų5752.2 Ų52.231%0.30526%0.261SS..Hα-helixtrans-60.2-44175.2-71.2-32.7000111.8R153 K178 L179 V184 S185 L186 L211R153-D182 IonicContact CZ-OD1 2.79Å; R153-D182 IonicContact NH1-OD1 2.97Å; R153-D182 PolarHBondContact NH1-OD1 2.9Å; R153-D182 VanDerWaalsContact NH2-CG 3.33Å; R153-D182 IonicContact NH2-OD1 2.72Å; R153-D182 PolarHBondContact NH2-OD1 3.48Å; R153-D182 IonicContact NH2-OD2 3.08Å; R153-D182 PolarHBondContact NH2-OD2 2.85Å; K178-D182 WeakPolarHBondContact O-CB 3.46Å; K178-D182 VanDerWaalsContact O-CG 3.27Å; K178-D182 PolarHBondContact O-N 3.25Å; L179-D182 PolarHBondContact O-N 3.19Å; D182-V184 PolarHBondContact O-N 3.46Å; D182-S185 PolarHBondContact O-N 2.89Å; D182-L186 VanDerWaalsContact O-CG 3.32Å; D182-L186 WeakPolarHBondContact O-CG 3.39Å; D182-L186 PolarHBondContact O-N 2.88Å; D182-L211 HydrophobicContact CB-CD2 3.43Å; D182-L211 VanDerWaalsContact CB-CD2 3.43Å
183A92.2Very high88.3Confident0 Ų050.4 Ų50.40%026%0.257CS..Hα-helixtrans-60.5-44.5177.700000112L179 V180 V181 L211 C371 I373L179-A183 WeakPolarHBondContact O-CB 3.45Å; L179-A183 PolarHBondContact O-N 3.1Å; V180-A183 PolarHBondContact O-N 2.99Å; V181-A183 VanDerWaalsContact C-N 3.34Å; V181-A183 PolarHBondContact O-N 2.92Å; A183-L211 HydrophobicContact CB-CD1 3.83Å; A183-L211 HydrophobicContact CB-CD2 4.36Å; A183-C371 PolarHBondContact O-SG 3.22Å; A183-C371 VanDerWaalsContact O-SG 3.35Å; A183-I373 HydrophobicContact CB-CD1 4.1Å; A183-I373 HydrophobicContact CB-CG1 4.49Å
184V91.4Very high88.2Confident3 Ų356.6 Ų56.62%0.01828%0.284CS..Hα-helixtrans-72.5-39179.1177.50000111.6V180 V181 D182 L186 L187 L191 I394 V397 V401V180-V184 WeakPolarHBondContact O-CG2 3.39Å; V180-V184 PolarHBondContact O-N 3.38Å; V181-V184 PolarHBondContact O-N 3.05Å; D182-V184 PolarHBondContact O-N 3.46Å; V184-L186 VanDerWaalsContact C-N 3.26Å; V184-L186 PolarHBondContact O-N 3.27Å; V184-L187 PolarHBondContact O-N 2.71Å; V184-L191 HydrophobicContact CG1-CD1 4.33Å; V184-L191 HydrophobicContact CG1-CD2 3.97Å; V184-I394 HydrophobicContact CG2-CG2 4.16Å; V184-V397 HydrophobicContact CB-CG1 3.92Å; V184-V397 HydrophobicContact CG1-CG1 4Å; V184-V397 HydrophobicContact CG2-CB 4.28Å; V184-V397 HydrophobicContact CG2-CG1 3.92Å; V184-V401 HydrophobicContact CG1-CG2 4.24Å
185S87.8Confident88Confident71 Ų7150.6 Ų50.650%0.49726%0.256SS..Hα-helixtrans-65.7-27.5177.6-69.20000113.3V181 D182 L187V181-S185 VanDerWaalsContact O-CB 3.3Å; V181-S185 WeakPolarHBondContact O-CB 3.46Å; V181-S185 PolarHBondContact O-N 3.42Å; V181-S185 PolarHBondContact O-OG 2.97Å; V181-S185 VanDerWaalsContact O-OG 3.04Å; D182-S185 PolarHBondContact O-N 2.89Å; S185-L187 VanDerWaalsContact C-N 3.33Å
186L86.2Confident87.9Confident60 Ų6048 Ų4831%0.31425%0.245SC..Hα-helixtrans-68.4-32.1173.9-76.4171.4000112D182 V184 L211 A213 K369 C371D182-L186 VanDerWaalsContact O-CG 3.32Å; D182-L186 WeakPolarHBondContact O-CG 3.39Å; D182-L186 PolarHBondContact O-N 2.88Å; V184-L186 VanDerWaalsContact C-N 3.26Å; V184-L186 PolarHBondContact O-N 3.27Å; L186-L211 HydrophobicContact CD1-CD2 4.14Å; L186-A213 HydrophobicContact CD1-CB 4.24Å; L186-K369 WeakPolarHBondContact O-CB 3.48Å; L186-K369 WeakPolarHBondContact O-CD 3.49Å; L186-K369 WeakPolarHBondContact O-CG 3.34Å; L186-C371 HydrophobicContact CB-CB 4.44Å; L186-C371 HydrophobicContact CD1-CB 3.84Å
187L84.2Confident87.8Confident14 Ų1448.3 Ų48.37%0.07325%0.249CC..SBendtrans-67.9161.4-172.9-62.3174.1000114.2V184 S185 L191 M195 I196 K369V184-L187 PolarHBondContact O-N 2.71Å; S185-L187 VanDerWaalsContact C-N 3.33Å; L187-L191 HydrophobicContact CB-CD2 3.73Å; L187-L191 HydrophobicContact CD1-CD2 4.29Å; L187-M195 HydrophobicContact CD2-CB 3.7Å; L187-I196 HydrophobicContact CD1-CD1 3.78Å; L187-I196 HydrophobicContact CD1-CG1 3.7Å; L187-I196 HydrophobicContact CD2-CG1 4.04Å; L187-I196 HydrophobicContact CG-CG1 4.25Å; L187-K369 WeakPolarHBondContact CD2-O 3.27Å
188D77.6Confident87.8Confident58 Ų5849.5 Ų49.531%0.3125%0.254SS..  trans-67.6165.7172.2-61.1-31.4000112.6Y190 L191D188-Y190 PolarHBondContact O-N 2.93Å; D188-L191 WeakPolarHBondContact O-CA 3.48Å; D188-L191 WeakPolarHBondContact O-CD2 3.47Å; D188-L191 PolarHBondContact O-N 3.24Å
189S76.7Confident87.8Confident103 Ų10346.3 Ų46.372%0.7224%0.24SC*.THydrogen-bonded Turntrans-53.7-29-174.557.50000115.5L191S189-L191 VanDerWaalsContact C-N 3.28Å; S189-L191 PolarHBondContact O-N 2.98Å
190Y79Confident87.7Confident187 Ų18749.4 Ų49.473%0.73325%0.253SS*.THydrogen-bonded Turntrans-74.6-18.2177.2-66.4-74.6000113.5D188 K402D188-Y190 PolarHBondContact O-N 2.93Å; Y190-K402 PolarHBondContact O-NZ 2.72Å
191L81.3Confident87.6Confident9 Ų949.4 Ų49.45%0.04725%0.253CS..  trans49.764.5-176.4-57.5172.9000112.2V184 L187 D188 S189 L193 R398 V401 K402V184-L191 HydrophobicContact CG1-CD1 4.33Å; V184-L191 HydrophobicContact CG1-CD2 3.97Å; L187-L191 HydrophobicContact CB-CD2 3.73Å; L187-L191 HydrophobicContact CD1-CD2 4.29Å; D188-L191 WeakPolarHBondContact O-CA 3.48Å; D188-L191 WeakPolarHBondContact O-CD2 3.47Å; D188-L191 PolarHBondContact O-N 3.24Å; S189-L191 VanDerWaalsContact C-N 3.28Å; S189-L191 PolarHBondContact O-N 2.98Å; L191-L193 PolarHBondContact O-N 3.32Å; L191-R398 HydrophobicContact CB-CG 3.82Å; L191-R398 HydrophobicContact CD1-CB 4.45Å; L191-R398 HydrophobicContact CD1-CG 3.89Å; L191-R398 PolarHBondContact O-NE 2.89Å; L191-R398 PolarHBondContact O-NH2 2.92Å; L191-V401 HydrophobicContact CD1-CB 4Å; L191-V401 HydrophobicContact CD1-CG1 3.88Å; L191-K402 HydrophobicContact CD1-CG 4.44Å
192P82.3Confident87.6Confident41 Ų4152.7 Ų52.727%0.26628%0.276SS..  trans-72.7117.5178.628.5-34.2000111.8K194 M195P192-K194 PolarHBondContact O-N 3.44Å; P192-M195 HydrophobicContact CB-CG 3.96Å; P192-M195 HydrophobicContact CG-CB 4.04Å; P192-M195 HydrophobicContact CG-CG 3.38Å; P192-M195 WeakPolarHBondContact O-CB 3.34Å; P192-M195 PolarHBondContact O-N 3.22Å
193L86.5Confident87.4Confident50 Ų5051.3 Ų51.326%0.26228%0.276SS..G310 helixtrans-56.5-36.8179.6-69174.3000112.9L191 M195 I196 I394 M395L191-L193 PolarHBondContact O-N 3.32Å; L193-M195 PolarHBondContact O-N 2.86Å; L193-M195 VanDerWaalsContact O-N 3.08Å; L193-I196 PolarHBondContact O-N 2.95Å; L193-I196 VanDerWaalsContact O-N 3.08Å; L193-I394 HydrophobicContact CD2-CG2 3.82Å; L193-M395 HydrophobicContact CD1-CG 4.13Å; L193-M395 HydrophobicContact CD1-SD 3.77Å; L193-M395 HydrophobicContact CD2-CG 4.1Å
194K86.8Confident87.3Confident183 Ų18353.3 Ų53.380%0.79630%0.296SS*.G310 helixtrans-62.3-15.9179.4-64.1-174177.8-175.60114.2P192 R322P192-K194 PolarHBondContact O-N 3.44Å; K194-R322 WeakPolarHBondContact O-CD 3.3Å
195M88.2Confident87.2Confident24 Ų2455.3 Ų55.312%0.11831%0.313CS..G310 helixtrans-83.3-18.5177.7-64.8-51.8176.200113.1L187 P192 L193 R322 M325 T370 C371L187-M195 HydrophobicContact CD2-CB 3.7Å; P192-M195 HydrophobicContact CB-CG 3.96Å; P192-M195 HydrophobicContact CG-CB 4.04Å; P192-M195 HydrophobicContact CG-CG 3.38Å; P192-M195 WeakPolarHBondContact O-CB 3.34Å; P192-M195 PolarHBondContact O-N 3.22Å; L193-M195 PolarHBondContact O-N 2.86Å; L193-M195 VanDerWaalsContact O-N 3.08Å; M195-R322 PolarHBondContact O-NE 3.47Å; M195-R322 PolarHBondContact O-NH2 3.08Å; M195-M325 HydrophobicContact CE-CB 3.66Å; M195-M325 HydrophobicContact CE-CE 3.6Å; M195-M325 HydrophobicContact CE-CG 3.6Å; M195-M325 HydrophobicContact CE-SD 4.38Å; M195-M325 HydrophobicContact SD-CB 4.05Å; M195-M325 HydrophobicContact SD-CG 4.43Å; M195-T370 HydrophobicContact CB-CG2 4.06Å; M195-T370 HydrophobicContact CG-CG2 4.19Å; M195-T370 HydrophobicContact SD-CG2 3.73Å; M195-C371 PolarHBondContact O-N 2.72Å
196I91.6Very high87.3Confident19 Ų1953 Ų5310%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-86.4112.1169.1-49176.6000107.7L187 L193 C371 I373 I394L187-I196 HydrophobicContact CD1-CD1 3.78Å; L187-I196 HydrophobicContact CD1-CG1 3.7Å; L187-I196 HydrophobicContact CD2-CG1 4.04Å; L187-I196 HydrophobicContact CG-CG1 4.25Å; L193-I196 PolarHBondContact O-N 2.95Å; L193-I196 VanDerWaalsContact O-N 3.08Å; I196-C371 WeakPolarHBondContact CA-O 3.22Å; I196-I373 HydrophobicContact CG2-CD1 3.93Å; I196-I373 HydrophobicContact CG2-CG1 4.24Å; I196-I394 HydrophobicContact CD1-CB 4.49Å; I196-I394 HydrophobicContact CD1-CD1 4.03Å; I196-I394 HydrophobicContact CD1-CG1 4.25Å; I196-I394 HydrophobicContact CD1-CG2 3.42Å; I196-I394 VanDerWaalsContact CD1-CG2 3.42Å; I196-I394 HydrophobicContact CG2-CD1 4.14Å
197G91Very high87.5Confident8 Ų855.6 Ų55.68%0.08231%0.305CS..EExtended strand (participates in β ladder)trans-95.6136.4171.900000109.9C371 T372 I373G197-C371 PolarHBondContact N-O 3.4Å; G197-C371 VanDerWaalsContact N-O 3.09Å; G197-T372 CarbonylContact O-C 3.6Å; G197-T372 VanDerWaalsContact O-CA 3.31Å; G197-T372 WeakPolarHBondContact O-CA 3.45Å; G197-T372 WeakPolarHBondContact O-CG2 3.2Å; G197-I373 PolarHBondContact O-N 3.32Å
198I93.8Very high87.8Confident31 Ų3158.9 Ų58.916%0.15932%0.323CS..EExtended strand (participates in β ladder)trans-110.1126.8171-58.2178.5000107.5I373 L375 E387 I394I198-I373 CarbonylContact C-O 3.55Å; I198-I373 WeakPolarHBondContact CA-O 3.45Å; I198-I373 HydrophobicContact CG1-CB 4.37Å; I198-L375 HydrophobicContact CG2-CD1 3.34Å; I198-L375 HydrophobicContact CG2-CG 3.75Å; I198-E387 HydrophobicContact CB-CG 4.37Å; I198-E387 HydrophobicContact CD1-CG 4.19Å; I198-E387 HydrophobicContact CG2-CB 4.26Å; I198-E387 HydrophobicContact CG2-CG 3.94Å; I198-I394 HydrophobicContact CD1-CD1 4.47Å
199K93.3Very high88.6Confident43 Ų4356.4 Ų56.419%0.18731%0.311CS..EExtended strand (participates in β ladder)trans-120.5124.4178.6-59.5-62.6174.3-173.80109A216 D319 F359 T372 I373 I374 L375K199-A216 WeakPolarHBondContact CE-O 3.39Å; K199-D319 VanDerWaalsContact CE-OD1 3.27Å; K199-D319 WeakPolarHBondContact CE-OD1 3.46Å; K199-D319 IonicContact NZ-OD1 3.82Å; K199-D319 PolarHBondContact NZ-OD1 2.91Å; K199-D319 IonicContact NZ-OD2 2.98Å; K199-D319 PolarHBondContact NZ-OD2 3.43Å; K199-F359 HydrophobicContact CB-CE1 3.94Å; K199-F359 HydrophobicContact CB-CZ 4.45Å; K199-F359 HydrophobicContact CG-CE1 4.19Å; K199-T372 HydrophobicContact CG-CG2 3.78Å; K199-I373 PolarHBondContact N-O 2.73Å; K199-I374 HydrophobicContact CB-CG1 4.39Å; K199-I374 CarbonylContact O-C 3.45Å; K199-I374 WeakPolarHBondContact O-CA 3.46Å; K199-L375 PolarHBondContact O-N 2.7Å
200K93Very high89.3Confident77 Ų7754.6 Ų54.634%0.33529%0.292SS..EExtended strand (participates in β ladder)trans-93.7131.6179.5-64.7177.2-70.3-156.80109.9M383 E387K200-M383 HydrophobicContact CB-SD 4.26Å; K200-M383 HydrophobicContact CD-CB 4.06Å; K200-M383 HydrophobicContact CG-CB 4.3Å; K200-E387 VanDerWaalsContact CD-OE2 3.3Å; K200-E387 WeakPolarHBondContact CD-OE2 3.09Å; K200-E387 WeakPolarHBondContact CE-OE2 3.22Å; K200-E387 IonicContact NZ-OE2 2.64Å; K200-E387 PolarHBondContact NZ-OE2 2.94Å
201V92.4Very high90Very high0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-131.7116.1178.5179.10000108.9I354 F359 I374 L375V201-I354 HydrophobicContact CG1-CG2 4.34Å; V201-I354 WeakPolarHBondContact CG1-O 3.14Å; V201-F359 HydrophobicContact CG2-CD2 4.45Å; V201-F359 HydrophobicContact CG2-CE1 4.42Å; V201-F359 HydrophobicContact CG2-CE2 3.3Å; V201-F359 HydrophobicContact CG2-CZ 3.29Å; V201-I374 HydrophobicContact CB-CG2 4.47Å; V201-I374 HydrophobicContact CG2-CG2 3.79Å; V201-L375 PolarHBondContact N-O 3.42Å
202S91.6Very high90.5Very high68 Ų6848 Ų4848%0.47627%0.269SS..EExtended strand (participates in β ladder)trans-64140.1-179.1-53.60000112.1
203G89.3Confident90.8Very high29 Ų2948.6 Ų48.630%0.29928%0.278SS..BIsolated β-bridgetrans88.7158179.500000114R376 G377G203-R376 PolarHBondContact O-NE 2.85Å; G203-R376 PolarHBondContact O-NH2 3.45Å; G203-G377 PolarHBondContact N-O 3.47Å
204G88.5Confident91Very high41 Ų4146.2 Ų46.242%0.42327%0.266SS..SBendtrans89.5177.9-171.300000112.8
205A90.1Very high91.3Very high46 Ų4637.5 Ų37.538%0.3823%0.228SC..  trans-89160.7173.700000111E207 D208 R376A205-E207 PolarHBondContact O-N 3.17Å; A205-D208 PolarHBondContact N-OD2 3.42Å; A205-D208 WeakPolarHBondContact O-CB 3.24Å; A205-D208 PolarHBondContact O-N 3.28Å; A205-D208 VanDerWaalsContact O-N 3.11Å; A205-R376 VanDerWaalsContact O-CB 3.26Å; A205-R376 WeakPolarHBondContact O-CB 3.32Å
206L89Confident91.5Very high22 Ų2236.4 Ų36.412%0.11522%0.222CC..G310 helixtrans-61.2-32.3175.6-74.6165.1000112.2Y172 F176 D208 S209 R376 T386Y172-L206 HydrophobicContact CD2-CB 4.23Å; Y172-L206 HydrophobicContact CD2-CD1 3.8Å; Y172-L206 HydrophobicContact CE2-CB 4.31Å; Y172-L206 HydrophobicContact CE2-CD1 3.69Å; F176-L206 HydrophobicContact CE2-CB 4.28Å; F176-L206 HydrophobicContact CZ-CB 4.22Å; F176-L206 HydrophobicContact CZ-CD2 4.42Å; L206-D208 PolarHBondContact O-N 3Å; L206-S209 VanDerWaalsContact O-CB 3.24Å; L206-S209 WeakPolarHBondContact O-CB 3.11Å; L206-S209 PolarHBondContact O-N 3.19Å; L206-S209 PolarHBondContact O-OG 3.29Å; L206-R376 WeakPolarHBondContact CA-O 3.43Å; L206-R376 WeakPolarHBondContact CD2-O 2.88Å; L206-T386 HydrophobicContact CD2-CG2 4.15Å
207E90.3Very high91.6Very high114 Ų11435.5 Ų35.553%0.53322%0.218SC..G310 helixtrans-69.3-19177.2-61.4-179.5158.500113.4Y172 F175 A205 S209Y172-E207 HydrophobicContact CD1-CG 3.46Å; Y172-E207 VanDerWaalsContact CD1-CG 3.46Å; Y172-E207 VanDerWaalsContact CD1-OE1 3.24Å; Y172-E207 WeakPolarHBondContact CD1-OE1 3.25Å; Y172-E207 HydrophobicContact CE1-CG 3.6Å; Y172-E207 VanDerWaalsContact CE1-OE1 3.24Å; Y172-E207 WeakPolarHBondContact CE1-OE1 3.25Å; Y172-E207 HydrophobicContact CG-CG 4.47Å; F175-E207 VanDerWaalsContact CZ-O 3.32Å; F175-E207 WeakPolarHBondContact CZ-O 3.43Å; A205-E207 PolarHBondContact O-N 3.17Å; E207-S209 PolarHBondContact O-N 3.41Å
208D91.9Very high91.7Very high83 Ų8339.9 Ų39.944%0.44424%0.235SC..G310 helixtrans-76.4-0.7174.8-60.2-34000112.3A205 L206 R376A205-D208 PolarHBondContact N-OD2 3.42Å; A205-D208 WeakPolarHBondContact O-CB 3.24Å; A205-D208 PolarHBondContact O-N 3.28Å; A205-D208 VanDerWaalsContact O-N 3.11Å; L206-D208 PolarHBondContact O-N 3Å; D208-R376 HydrophobicContact CB-CB 4.06Å; D208-R376 HydrophobicContact CB-CG 3.96Å; D208-R376 WeakPolarHBondContact O-CG 3.47Å
209S93.1Very high91.6Very high7 Ų740.6 Ų40.65%0.04924%0.236CC..  trans-64.3149.4175.2-57.10000110.4F175 L206 E207 I374 R376F175-S209 VanDerWaalsContact CZ-O 3.3Å; F175-S209 WeakPolarHBondContact CZ-O 3.18Å; L206-S209 VanDerWaalsContact O-CB 3.24Å; L206-S209 WeakPolarHBondContact O-CB 3.11Å; L206-S209 PolarHBondContact O-N 3.19Å; L206-S209 PolarHBondContact O-OG 3.29Å; E207-S209 PolarHBondContact O-N 3.41Å; S209-I374 CarbonylContact C-O 3.3Å; S209-I374 WeakPolarHBondContact CA-O 3.45Å; S209-I374 VanDerWaalsContact CB-O 3.24Å; S209-I374 WeakPolarHBondContact CB-O 3.37Å; S209-R376 PolarHBondContact OG-N 2.87Å
210L93.1Very high91.3Very high64 Ų6439.6 Ų39.634%0.33523%0.234SC..EExtended strand (participates in β ladder)trans-141.7150.5-173.458.587.8000112.1I212 I354 I374L210-I212 HydrophobicContact CD1-CD1 3.64Å; L210-I212 HydrophobicContact CD1-CG1 3.47Å; L210-I212 VanDerWaalsContact CD1-CG1 3.47Å; L210-I354 HydrophobicContact CD2-CD1 4.37Å; L210-I374 HydrophobicContact CD1-CB 3.91Å; L210-I374 HydrophobicContact CD1-CD1 3.99Å; L210-I374 HydrophobicContact CD1-CG1 4Å; L210-I374 HydrophobicContact CG-CB 4.06Å; L210-I374 PolarHBondContact N-O 3.45Å; L210-I374 PolarHBondContact O-N 2.89Å
211L93.7Very high90.9Very high49 Ų4941.5 Ų41.526%0.25724%0.243SC..EExtended strand (participates in β ladder)trans-104.6120.2174.6178.669.4000109L179 D182 A183 L186 C371 I373L179-L211 HydrophobicContact CD2-CB 4.41Å; L179-L211 HydrophobicContact CG-CB 4.14Å; D182-L211 HydrophobicContact CB-CD2 3.43Å; D182-L211 VanDerWaalsContact CB-CD2 3.43Å; A183-L211 HydrophobicContact CB-CD1 3.83Å; A183-L211 HydrophobicContact CB-CD2 4.36Å; L186-L211 HydrophobicContact CD1-CD2 4.14Å; L211-C371 HydrophobicContact CD1-CB 3.91Å; L211-I373 HydrophobicContact CD1-CG1 3.71Å
212I91.3Very high90.3Very high8 Ų843.5 Ų43.54%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-97.9127.1174-68.4165.7000108.4L210 G214 A216 I361 E363 C371 T372 I374L210-I212 HydrophobicContact CD1-CD1 3.64Å; L210-I212 HydrophobicContact CD1-CG1 3.47Å; L210-I212 VanDerWaalsContact CD1-CG1 3.47Å; I212-G214 PolarHBondContact O-N 3.2Å; I212-A216 HydrophobicContact CD1-CB 3.61Å; I212-I361 HydrophobicContact CD1-CD1 3.76Å; I212-I361 HydrophobicContact CD1-CG1 4.04Å; I212-I361 HydrophobicContact CD1-CG2 4.21Å; I212-I361 HydrophobicContact CG2-CG2 3.62Å; I212-E363 HydrophobicContact CG2-CG 4.38Å; I212-C371 CarbonylContact O-C 3.58Å; I212-C371 VanDerWaalsContact O-CA 3.31Å; I212-C371 WeakPolarHBondContact O-CA 3.32Å; I212-T372 PolarHBondContact N-O 3.17Å; I212-T372 PolarHBondContact O-N 3.09Å; I212-I374 HydrophobicContact CD1-CD1 3.42Å; I212-I374 VanDerWaalsContact CD1-CD1 3.42Å; I212-I374 HydrophobicContact CD1-CG1 4Å
213A89Confident89.9Confident54 Ų5443.4 Ų43.445%0.44625%0.246SC..SBendtrans-77.470.9172.900000110.9L186L186-A213 HydrophobicContact CD1-CB 4.24Å
214G90.2Very high89.4Confident1 Ų145.7 Ų45.71%0.0126%0.262CS..EExtended strand (participates in β ladder)trans157.8-149.4178.800000112.5I212 F362 T370 C371 T372I212-G214 PolarHBondContact O-N 3.2Å; G214-F362 VanDerWaalsContact CA-O 3.29Å; G214-F362 WeakPolarHBondContact CA-O 3.47Å; G214-T370 VanDerWaalsContact CA-O 3.27Å; G214-T370 WeakPolarHBondContact CA-O 2.93Å; G214-T370 PolarHBondContact N-O 2.85Å; G214-T370 VanDerWaalsContact N-O 3.09Å; G214-C371 CarbonylContact O-C 3.58Å; G214-C371 VanDerWaalsContact O-C 3.3Å; G214-C371 WeakPolarHBondContact O-CA 3.3Å; G214-T372 PolarHBondContact O-N 2.87Å; G214-T372 VanDerWaalsContact O-N 3.16Å; G214-T372 PolarHBondContact O-OG1 3.35Å
215V92.6Very high89Confident0 Ų044.2 Ų44.20%025%0.247CC..EExtended strand (participates in β ladder)trans-106.1127.1-178-175.30000109.7R322 A326 F362 T370 T372V215-R322 HydrophobicContact CG1-CB 4.24Å; V215-R322 HydrophobicContact CG2-CB 4.12Å; V215-A326 HydrophobicContact CG2-CB 3.63Å; V215-F362 PolarHBondContact N-O 2.91Å; V215-F362 VanDerWaalsContact N-O 3.09Å; V215-F362 PolarHBondContact O-N 3.1Å; V215-T370 WeakPolarHBondContact CG2-OG1 3.45Å; V215-T372 WeakPolarHBondContact CA-OG1 3.27Å
216A93.2Very high88.8Confident0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-124.2135.5169.300000110.9K199 I212 N360 I361 T372 I374K199-A216 WeakPolarHBondContact CE-O 3.39Å; I212-A216 HydrophobicContact CD1-CB 3.61Å; A216-N360 VanDerWaalsContact CA-O 3.28Å; A216-N360 WeakPolarHBondContact CA-O 3.47Å; A216-I361 HydrophobicContact CB-CG1 4.11Å; A216-T372 HydrophobicContact CB-CG2 3.87Å; A216-T372 PolarHBondContact N-OG1 3.45Å; A216-I374 HydrophobicContact CB-CD1 4.28Å
217F93.3Very high88.8Confident1 Ų146.5 Ų46.50%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-138.5151.6172.163.6-95.3000110.8L291 A312 V315 D319 F359 N360 F362F217-L291 HydrophobicContact CE1-CD1 3.98Å; F217-L291 HydrophobicContact CE1-CD2 4.49Å; F217-L291 HydrophobicContact CZ-CD1 4.04Å; F217-L291 HydrophobicContact CZ-CD2 3.75Å; F217-A312 HydrophobicContact CE2-CB 4.39Å; F217-V315 HydrophobicContact CE2-CG1 4.48Å; F217-V315 HydrophobicContact CE2-CG2 4.23Å; F217-V315 HydrophobicContact CZ-CG2 4.47Å; F217-D319 HydrophobicContact CB-CB 4.01Å; F217-D319 WeakPolarHBondContact CB-OD2 3.39Å; F217-D319 HydrophobicContact CG-CB 4.45Å; F217-F359 WeakPolarHBondContact O-CA 3.5Å; F217-N360 HydrophobicContact CD2-CB 4.33Å; F217-N360 HydrophobicContact CE1-CB 4.2Å; F217-N360 HydrophobicContact CE2-CB 3.89Å; F217-N360 WeakPolarHBondContact CE2-ND2 3.22Å; F217-N360 HydrophobicContact CZ-CB 3.8Å; F217-N360 PolarHBondContact N-O 3.41Å; F217-N360 PolarHBondContact O-N 3.08Å; F217-F362 HydrophobicContact CD1-CE2 4.21Å; F217-F362 HydrophobicContact CE1-CD2 4.17Å; F217-F362 AromaticContact CE1-CE2 3.35Å; F217-F362 HydrophobicContact CE1-CE2 3.35Å; F217-F362 HydrophobicContact CE1-CZ 4.11Å; F217-F362 AromaticContact CZ-CE2 3.97Å; F217-F362 HydrophobicContact CZ-CE2 3.97Å; F217-F362 HydrophobicContact CZ-CZ 4.46Å
218K92.8Very high88.7Confident100 Ų10047.2 Ų47.244%0.43525%0.254SS..EExtended strand (participates in β ladder)trans-64.5141.7-179.6-178.1-178.2175.8160.90110.2T220 E357 F359K218-T220 PolarHBondContact O-N 2.97Å; K218-T220 VanDerWaalsContact O-N 3.13Å; K218-E357 WeakPolarHBondContact CD-OE2 3.49Å; K218-E357 WeakPolarHBondContact CE-OE1 3.18Å; K218-E357 WeakPolarHBondContact CE-OE2 3.27Å; K218-E357 IonicContact NZ-OE1 2.7Å; K218-E357 PolarHBondContact NZ-OE1 2.89Å; K218-E357 IonicContact NZ-OE2 3.75Å; K218-E357 PolarHBondContact NZ-OE2 3.38Å; K218-F359 HydrophobicContact CB-CD1 4.49Å; K218-F359 HydrophobicContact CB-CE1 3.95Å; K218-F359 HydrophobicContact CB-CZ 4.08Å; K218-F359 HydrophobicContact CG-CZ 4.46Å
219K91.4Very high88.6Confident45 Ų4543.5 Ų43.520%0.19623%0.234CC..  trans-50.2121.3169.5174.8178.9171.5-178.80109.3S222 F226 E227 R358K219-S222 WeakPolarHBondContact CE-OG 3.36Å; K219-S222 PolarHBondContact NZ-OG 3.42Å; K219-F226 HydrophobicContact CD-CE1 3.78Å; K219-F226 HydrophobicContact CD-CZ 4.2Å; K219-F226 HydrophobicContact CG-CE1 4.42Å; K219-F226 HydrophobicContact CG-CZ 4.36Å; K219-E227 IonicContact NZ-OE1 3.87Å; K219-E227 PolarHBondContact NZ-OE1 2.95Å; K219-R358 HydrophobicContact CB-CB 4.07Å; K219-R358 VanDerWaalsContact CB-O 3.28Å; K219-R358 WeakPolarHBondContact CB-O 3.1Å; K219-R358 HydrophobicContact CD-CB 4.23Å; K219-R358 PolarHBondContact N-O 2.89Å
220T88.3Confident88.5Confident23 Ų2345 Ų4514%0.14124%0.244CC..  trans-81.5178.3176.556.50000110.4K218 S222 G313 R314 V315K218-T220 PolarHBondContact O-N 2.97Å; K218-T220 VanDerWaalsContact O-N 3.13Å; T220-S222 PolarHBondContact O-N 3.47Å; T220-G313 WeakPolarHBondContact CB-O 3.11Å; T220-G313 WeakPolarHBondContact CG2-O 3.42Å; T220-G313 PolarHBondContact OG1-O 3.32Å; T220-R314 WeakPolarHBondContact CG2-O 3.39Å; T220-V315 HydrophobicContact CG2-CG2 4.37Å
221F83.3Confident88.5Confident117 Ų11744.2 Ų44.251%0.51324%0.238SC..  trans-54.7127.3176.9-175.3-90.8000110.7Y223F221-Y223 HydrophobicContact CD1-CD2 4.2Å; F221-Y223 HydrophobicContact CD1-CE2 4Å; F221-Y223 AromaticContact CE1-CD1 3.88Å; F221-Y223 HydrophobicContact CE1-CD1 3.88Å; F221-Y223 AromaticContact CE1-CD2 3.95Å; F221-Y223 HydrophobicContact CE1-CD2 3.95Å; F221-Y223 AromaticContact CE1-CE1 3.66Å; F221-Y223 HydrophobicContact CE1-CE1 3.66Å; F221-Y223 AromaticContact CE1-CE2 3.77Å; F221-Y223 HydrophobicContact CE1-CE2 3.77Å; F221-Y223 HydrophobicContact CE1-CG 4.04Å; F221-Y223 AromaticContact CE1-CZ 3.64Å; F221-Y223 HydrophobicContact CZ-CE1 4.38Å
222S79.9Confident88.5Confident41 Ų4146 Ų4629%0.28725%0.254SS..  trans-120.5132.4-177.960.30000110.6K219 T220K219-S222 WeakPolarHBondContact CE-OG 3.36Å; K219-S222 PolarHBondContact NZ-OG 3.42Å; T220-S222 PolarHBondContact O-N 3.47Å
223Y83.2Confident88.6Confident67 Ų6746.4 Ų46.426%0.26326%0.255SS..  trans-84.1179.6172.6-70.8-85.7000112.1F221 F226 E246 I296 D298F221-Y223 HydrophobicContact CD1-CD2 4.2Å; F221-Y223 HydrophobicContact CD1-CE2 4Å; F221-Y223 AromaticContact CE1-CD1 3.88Å; F221-Y223 HydrophobicContact CE1-CD1 3.88Å; F221-Y223 AromaticContact CE1-CD2 3.95Å; F221-Y223 HydrophobicContact CE1-CD2 3.95Å; F221-Y223 AromaticContact CE1-CE1 3.66Å; F221-Y223 HydrophobicContact CE1-CE1 3.66Å; F221-Y223 AromaticContact CE1-CE2 3.77Å; F221-Y223 HydrophobicContact CE1-CE2 3.77Å; F221-Y223 HydrophobicContact CE1-CG 4.04Å; F221-Y223 AromaticContact CE1-CZ 3.64Å; F221-Y223 HydrophobicContact CZ-CE1 4.38Å; Y223-F226 WeakPolarHBondContact O-CB 3.49Å; Y223-F226 PolarHBondContact O-N 2.96Å; Y223-E246 PolarHBondContact OH-OE1 2.96Å; Y223-I296 WeakPolarHBondContact CD2-O 3.48Å; Y223-I296 WeakPolarHBondContact CE2-O 3.41Å; Y223-D298 HydrophobicContact CD1-CB 4.05Å; Y223-D298 HydrophobicContact CG-CB 4.09Å
224A79.7Confident88.8Confident76 Ų7652.6 Ų52.663%0.62827%0.272SS*.THydrogen-bonded Turntrans-55.5146.9171.600000111.3F226 T301A224-F226 VanDerWaalsContact C-N 3.34Å; A224-T301 WeakPolarHBondContact O-CG2 3.05Å
225G79.2Confident88.9Confident11 Ų1156.5 Ų56.511%0.11330%0.299CS..THydrogen-bonded Turntrans92-21.2-174.900000114.5E227 M228 A305G225-E227 VanDerWaalsContact C-N 3.32Å; G225-E227 PolarHBondContact O-N 2.87Å; G225-M228 PolarHBondContact O-N 3.4Å; G225-A305 WeakPolarHBondContact O-CB 3.2Å
226F86.9Confident89Confident8 Ų856.5 Ų56.54%0.03530%0.299CS..G310 helixtrans-58.5-38.4-177-178.4-96.6000114.2K219 Y223 A224 M228 Q229 K231 T301 F310 C311 E351K219-F226 HydrophobicContact CD-CE1 3.78Å; K219-F226 HydrophobicContact CD-CZ 4.2Å; K219-F226 HydrophobicContact CG-CE1 4.42Å; K219-F226 HydrophobicContact CG-CZ 4.36Å; Y223-F226 WeakPolarHBondContact O-CB 3.49Å; Y223-F226 PolarHBondContact O-N 2.96Å; A224-F226 VanDerWaalsContact C-N 3.34Å; F226-M228 PolarHBondContact O-N 3.21Å; F226-Q229 WeakPolarHBondContact O-CB 3.4Å; F226-Q229 PolarHBondContact O-N 3.06Å; F226-K231 VanDerWaalsContact CZ-NZ 3.31Å; F226-K231 PolarHBondContact O-NZ 2.8Å; F226-T301 HydrophobicContact CB-CG2 4.11Å; F226-F310 HydrophobicContact CE2-CD2 4.39Å; F226-F310 AromaticContact CE2-CE2 3.64Å; F226-F310 HydrophobicContact CE2-CE2 3.64Å; F226-F310 AromaticContact CE2-CZ 3.81Å; F226-F310 HydrophobicContact CE2-CZ 3.81Å; F226-F310 AromaticContact CZ-CE2 3.56Å; F226-F310 HydrophobicContact CZ-CE2 3.56Å; F226-F310 AromaticContact CZ-CZ 3.83Å; F226-F310 HydrophobicContact CZ-CZ 3.83Å; F226-C311 WeakPolarHBondContact CE2-O 3.04Å; F226-E351 WeakPolarHBondContact CE1-OE2 3.4Å; F226-E351 WeakPolarHBondContact CZ-OE2 3.27Å
227E88.6Confident89.1Confident108 Ų10860.8 Ų60.851%0.50532%0.318SS..G310 helixtrans-70.4-16.3-178.8-61.7-62.9136.100113K219 G225 R358K219-E227 IonicContact NZ-OE1 3.87Å; K219-E227 PolarHBondContact NZ-OE1 2.95Å; G225-E227 VanDerWaalsContact C-N 3.32Å; G225-E227 PolarHBondContact O-N 2.87Å; E227-R358 VanDerWaalsContact CD-NH1 3.33Å; E227-R358 IonicContact OE1-CZ 3.06Å; E227-R358 IonicContact OE1-NH1 2.76Å; E227-R358 PolarHBondContact OE1-NH1 3.12Å; E227-R358 VanDerWaalsContact OE1-NH1 3.08Å; E227-R358 IonicContact OE1-NH2 2.98Å; E227-R358 IonicContact OE2-CZ 3.16Å; E227-R358 IonicContact OE2-NH1 2.73Å; E227-R358 PolarHBondContact OE2-NH1 3.46Å; E227-R358 IonicContact OE2-NH2 3.63Å; E227-R358 PolarHBondContact OE2-NH2 2.92Å
228M87.6Confident89.2Confident129 Ų12960.8 Ų60.864%0.63532%0.318SS*.G310 helixtrans-82.9-17.8175.8-58.6-168-127.900112.9G225 F226 A305G225-M228 PolarHBondContact O-N 3.4Å; F226-M228 PolarHBondContact O-N 3.21Å; M228-A305 HydrophobicContact CB-CB 4.26Å
229Q90.2Very high89.4Confident4 Ų456 Ų562%0.01930%0.297CS..SBendtrans-68.8137.6178.9-64.3175.4-3.700110.8F226 K231 T301 A305 M309 C311F226-Q229 WeakPolarHBondContact O-CB 3.4Å; F226-Q229 PolarHBondContact O-N 3.06Å; Q229-K231 WeakPolarHBondContact O-CD 3.39Å; Q229-K231 WeakPolarHBondContact O-CE 3.37Å; Q229-K231 PolarHBondContact O-N 2.9Å; Q229-T301 PolarHBondContact NE2-O 2.79Å; Q229-T301 VanDerWaalsContact NE2-O 3.16Å; Q229-A305 HydrophobicContact CG-CB 3.82Å; Q229-M309 VanDerWaalsContact CD-O 3.27Å; Q229-M309 VanDerWaalsContact CG-O 3.31Å; Q229-M309 WeakPolarHBondContact CG-O 3.34Å; Q229-C311 PolarHBondContact NE2-SG 3.49Å; Q229-C311 VanDerWaalsContact OE1-N 3.09Å
230P91Very high89.6Confident39 Ų3954 Ų5425%0.25329%0.288SS..  trans-55.4137.1173.3-1823.8000111.3Y233 D308P230-Y233 HydrophobicContact CB-CE1 4.07Å; P230-Y233 HydrophobicContact CB-CE2 4.23Å; P230-Y233 WeakPolarHBondContact CB-OH 3.21Å; P230-Y233 VanDerWaalsContact CD-OH 3.25Å; P230-Y233 WeakPolarHBondContact CD-OH 3.46Å; P230-Y233 HydrophobicContact CG-CE1 4.26Å; P230-Y233 WeakPolarHBondContact CG-OH 3.32Å; P230-Y233 WeakPolarHBondContact O-CE2 3.34Å; P230-Y233 PolarHBondContact O-OH 2.99Å; P230-Y233 VanDerWaalsContact O-OH 3.1Å; P230-D308 HydrophobicContact CG-CB 3.78Å
231K92.3Very high89.9Confident48 Ų4852.9 Ų52.921%0.20928%0.282CS..SBendtrans-99.10.3-176.5-60.6-52.3177.2-165.10113.9F226 Q229 F310 G350 E351F226-K231 VanDerWaalsContact CZ-NZ 3.31Å; F226-K231 PolarHBondContact O-NZ 2.8Å; Q229-K231 WeakPolarHBondContact O-CD 3.39Å; Q229-K231 WeakPolarHBondContact O-CE 3.37Å; Q229-K231 PolarHBondContact O-N 2.9Å; K231-F310 HydrophobicContact CD-CE2 4.4Å; K231-G350 CarbonylContact O-C 3.52Å; K231-G350 VanDerWaalsContact O-CA 3.31Å; K231-G350 WeakPolarHBondContact O-CA 3.31Å; K231-E351 HydrophobicContact CB-CB 4.11Å; K231-E351 HydrophobicContact CD-CB 4.09Å; K231-E351 HydrophobicContact CG-CB 4.45Å; K231-E351 PolarHBondContact O-N 3.42Å
232S94Very high90.4Very high85 Ų8550.1 Ų50.159%0.59427%0.272SS*.EExtended strand (participates in β ladder)trans-142.5136.2175-175.40000110.8F349S232-F349 VanDerWaalsContact CA-O 3.22Å; S232-F349 WeakPolarHBondContact CA-O 3.15Å; S232-F349 PolarHBondContact OG-O 3.29Å
233Y94.6Very high90.9Very high18 Ų1849.3 Ų49.37%0.07126%0.264CS..EExtended strand (participates in β ladder)trans-133.9146.4175.8-59-94.5000109.5P230 P236 Q288 I289 D308 F310 S348 F349P230-Y233 HydrophobicContact CB-CE1 4.07Å; P230-Y233 HydrophobicContact CB-CE2 4.23Å; P230-Y233 WeakPolarHBondContact CB-OH 3.21Å; P230-Y233 VanDerWaalsContact CD-OH 3.25Å; P230-Y233 WeakPolarHBondContact CD-OH 3.46Å; P230-Y233 HydrophobicContact CG-CE1 4.26Å; P230-Y233 WeakPolarHBondContact CG-OH 3.32Å; P230-Y233 WeakPolarHBondContact O-CE2 3.34Å; P230-Y233 PolarHBondContact O-OH 2.99Å; P230-Y233 VanDerWaalsContact O-OH 3.1Å; Y233-P236 HydrophobicContact CG-CB 4.43Å; Y233-Q288 HydrophobicContact CD1-CB 4.17Å; Y233-Q288 HydrophobicContact CE1-CB 4.32Å; Y233-I289 HydrophobicContact CD2-CD1 4.28Å; Y233-I289 HydrophobicContact CD2-CG1 4.3Å; Y233-D308 WeakPolarHBondContact CE1-O 3.06Å; Y233-D308 PolarHBondContact OH-O 3.05Å; Y233-F310 HydrophobicContact CE2-CB 3.65Å; Y233-F310 PolarHBondContact OH-N 3.38Å; Y233-S348 WeakPolarHBondContact O-CA 3.42Å; Y233-F349 AromaticContact CD2-CD1 3.61Å; Y233-F349 HydrophobicContact CD2-CD1 3.61Å; Y233-F349 HydrophobicContact CD2-CE1 4.17Å; Y233-F349 HydrophobicContact CD2-CG 4.4Å; Y233-F349 HydrophobicContact CE2-CD1 4.19Å; Y233-F349 HydrophobicContact CE2-CE1 4.3Å; Y233-F349 PolarHBondContact N-O 3.42Å; Y233-F349 PolarHBondContact O-N 2.84Å
234K93.7Very high91.3Very high183 Ų18348.9 Ų48.980%0.79627%0.265SS*.EExtended strand (participates in β ladder)trans-107127.5169.8-67.5-175.1177.2-175.90108.4
235S91.9Very high91.8Very high83 Ų8345.3 Ų45.358%0.5824%0.235SC*.SBendtrans51.452.5-177.7-53.90000115.1C346 E347S235-C346 VanDerWaalsContact CA-O 3.24Å; S235-C346 WeakPolarHBondContact CA-O 3.4Å; S235-E347 PolarHBondContact N-O 3.26Å
236P94.6Very high92.2Very high0 Ų046.5 Ų46.50%024%0.238CC..  trans-72.7145.7-178.130.9-35.1000112.9Y233 I238 Q288 I289 T345 C346 F349Y233-P236 HydrophobicContact CG-CB 4.43Å; P236-I238 HydrophobicContact CG-CG1 4.39Å; P236-Q288 VanDerWaalsContact CA-OE1 3.26Å; P236-Q288 HydrophobicContact CB-CB 4.09Å; P236-I289 HydrophobicContact CB-CD1 3.59Å; P236-I289 HydrophobicContact CB-CG1 3.91Å; P236-I289 HydrophobicContact CG-CD1 3.53Å; P236-I289 HydrophobicContact CG-CG1 4.39Å; P236-T345 WeakPolarHBondContact O-CA 3.49Å; P236-T345 PolarHBondContact O-OG1 3.04Å; P236-C346 VanDerWaalsContact CG-SG 3.54Å; P236-F349 HydrophobicContact CG-CB 4.11Å
237K94.7Very high92Very high91 Ų9148.8 Ų48.840%0.39625%0.25SC..EExtended strand (participates in β ladder)trans-81.1122.6163.5-71.8-174179.6-1780109.8G286 Q288 I289 L343K237-G286 WeakPolarHBondContact CD-O 3.41Å; K237-Q288 PolarHBondContact O-N 2.96Å; K237-I289 PolarHBondContact O-N 3.47Å; K237-I289 VanDerWaalsContact O-N 3.09Å; K237-L343 HydrophobicContact CD-CD1 4.24Å
238I95.5Very high91.3Very high0 Ų050.2 Ų50.20%025%0.254CS..EExtended strand (participates in β ladder)trans-110.1122.9-172.7-54.6163.2000109.6P236 L240 I289 C327 L343 G344 C346 F362P236-I238 HydrophobicContact CG-CG1 4.39Å; I238-L240 HydrophobicContact CG2-CD2 3.78Å; I238-L240 HydrophobicContact CG2-CG 4.41Å; I238-I289 CarbonylContact C-O 3.55Å; I238-I289 WeakPolarHBondContact CA-O 3.35Å; I238-I289 HydrophobicContact CG1-CB 4.15Å; I238-I289 HydrophobicContact CG1-CD1 4.33Å; I238-I289 HydrophobicContact CG2-CB 4.42Å; I238-I289 HydrophobicContact CG2-CG2 4.2Å; I238-C327 HydrophobicContact CD1-CB 3.87Å; I238-L343 CarbonylContact O-C 3.55Å; I238-L343 WeakPolarHBondContact O-CA 3.42Å; I238-G344 PolarHBondContact N-O 2.91Å; I238-G344 PolarHBondContact O-N 3.4Å; I238-C346 HydrophobicContact CD1-CB 4.32Å; I238-F362 HydrophobicContact CD1-CD1 3.71Å; I238-F362 HydrophobicContact CD1-CE1 3.71Å; I238-F362 HydrophobicContact CG1-CE1 4.24Å
239A96.2Very high90.4Very high1 Ų144.7 Ų44.71%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-100.2128.1169.200000110.2L282 V287 I289 L291 L343A239-L282 HydrophobicContact CB-CD2 4.16Å; A239-V287 HydrophobicContact CB-CB 4.47Å; A239-V287 HydrophobicContact CB-CG1 3.58Å; A239-V287 HydrophobicContact CB-CG2 4.05Å; A239-I289 PolarHBondContact N-O 2.78Å; A239-L291 PolarHBondContact O-N 3.39Å; A239-L343 HydrophobicContact CB-CD2 3.95Å
240L95.9Very high89.2Confident1 Ų148 Ų481%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-107.7119.8175.8-55.2-179.9000108.6I238 L291 L320 T323 Q324 V331 Q332I238-L240 HydrophobicContact CG2-CD2 3.78Å; I238-L240 HydrophobicContact CG2-CG 4.41Å; L240-L291 HydrophobicContact CD2-CB 3.96Å; L240-L291 HydrophobicContact CD2-CD1 3.82Å; L240-L291 HydrophobicContact CD2-CG 4.23Å; L240-L320 HydrophobicContact CB-CD1 4.23Å; L240-L320 HydrophobicContact CD2-CD1 3.92Å; L240-T323 HydrophobicContact CD2-CG2 3.98Å; L240-Q324 HydrophobicContact CD1-CB 3.68Å; L240-Q324 HydrophobicContact CD1-CG 4.1Å; L240-V331 HydrophobicContact CB-CG2 4.11Å; L240-V331 WeakPolarHBondContact O-CA 3.45Å; L240-Q332 PolarHBondContact O-N 3.05Å
241L95Very high87.8Confident1 Ų152.2 Ų52.21%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-122.4145.4-169.7-61.2-178.2000111.4I243 L245 L282 V290 L291 S292 K293 Q332L241-I243 HydrophobicContact CB-CG1 3.95Å; L241-I243 HydrophobicContact CD1-CD1 4.27Å; L241-I243 HydrophobicContact CD1-CG1 4.15Å; L241-I243 HydrophobicContact CG-CG1 4.47Å; L241-L245 HydrophobicContact CD1-CD1 4.23Å; L241-L282 HydrophobicContact CD1-CD1 4.09Å; L241-L282 HydrophobicContact CD1-CD2 4.4Å; L241-V290 HydrophobicContact CD1-CG1 3.61Å; L241-V290 HydrophobicContact CG-CG1 4.43Å; L241-L291 PolarHBondContact N-O 3.2Å; L241-S292 WeakPolarHBondContact O-CA 3.21Å; L241-K293 PolarHBondContact O-N 2.81Å; L241-Q332 CarbonylContact C-O 3.59Å; L241-Q332 WeakPolarHBondContact CA-O 3.43Å; L241-Q332 HydrophobicContact CD2-CB 4.19Å
242N93.7Very high86.6Confident58 Ų5857.7 Ų57.731%0.3129%0.286SS..  trans-119.548.9168.4-171.633.9000109.9K293 V331 Q332 T333N242-K293 WeakPolarHBondContact OD1-CD 3.38Å; N242-V331 HydrophobicContact CB-CG1 3.76Å; N242-Q332 PolarHBondContact N-O 2.94Å; N242-T333 HydrophobicContact CB-CG2 4.25Å
243I91Very high85.5Confident24 Ų2460.4 Ų60.412%0.12329%0.294CS..SBendtrans-135.7149-179.858.2159.4000110.8L241 L245 S292 T333 V335L241-I243 HydrophobicContact CB-CG1 3.95Å; L241-I243 HydrophobicContact CD1-CD1 4.27Å; L241-I243 HydrophobicContact CD1-CG1 4.15Å; L241-I243 HydrophobicContact CG-CG1 4.47Å; I243-L245 HydrophobicContact CD1-CD2 3.73Å; I243-L245 HydrophobicContact CD1-CG 4.38Å; I243-L245 HydrophobicContact CG1-CD2 4.44Å; I243-S292 PolarHBondContact O-OG 3.48Å; I243-T333 VanDerWaalsContact CG2-C 3.41Å; I243-T333 WeakPolarHBondContact CG2-O 3.35Å; I243-V335 HydrophobicContact CD1-CG2 3.26Å
244E90.7Very high84.6Confident58 Ų5862.2 Ų62.227%0.27131%0.312SS..  trans-81.4134.3171.3-173.5167.1-157.300110.1E246 A249 L294 P295E244-E246 HydrophobicContact CG-CB 3.91Å; E244-E246 HydrophobicContact CG-CG 3.9Å; E244-A249 HydrophobicContact CB-CB 3.97Å; E244-A249 HydrophobicContact CG-CB 3.9Å; E244-A249 WeakPolarHBondContact OE2-CB 3.38Å; E244-L294 HydrophobicContact CB-CB 4.1Å; E244-L294 HydrophobicContact CB-CD1 4.23Å; E244-P295 HydrophobicContact CG-CB 4.47Å
245L90.5Very high84Confident1 Ų160.5 Ų60.51%0.00531%0.307CS..BIsolated β-bridgetrans-111.554.7175.7-65.8176.8000109.6L241 I243 K278 L279 L282 V290 P295 I296 G297 A300 F304L241-L245 HydrophobicContact CD1-CD1 4.23Å; I243-L245 HydrophobicContact CD1-CD2 3.73Å; I243-L245 HydrophobicContact CD1-CG 4.38Å; I243-L245 HydrophobicContact CG1-CD2 4.44Å; L245-K278 HydrophobicContact CD2-CB 4.49Å; L245-L279 HydrophobicContact CD1-CD2 4.3Å; L245-L279 HydrophobicContact CD2-CD2 4.44Å; L245-L282 HydrophobicContact CD1-CD1 4.46Å; L245-V290 HydrophobicContact CD1-CG1 4.31Å; L245-P295 PolarHBondContact N-O 3.05Å; L245-I296 HydrophobicContact CB-CB 4.46Å; L245-I296 HydrophobicContact CB-CG1 4.32Å; L245-I296 HydrophobicContact CB-CG2 4.21Å; L245-I296 HydrophobicContact CD1-CD1 4.37Å; L245-I296 HydrophobicContact CD1-CG1 4.24Å; L245-I296 HydrophobicContact CD1-CG2 4.5Å; L245-G297 PolarHBondContact O-N 3.13Å; L245-A300 HydrophobicContact CB-CB 4.16Å; L245-F304 HydrophobicContact CD1-CE2 4.18Å; L245-F304 HydrophobicContact CD1-CZ 4.23Å
246E87.8Confident83.4Confident37 Ų3760.6 Ų60.617%0.17330%0.3CS..SBendtrans-122.8150.9175.6-62.9-156.6169.900110.7Y223 E244 K248 A249 P295Y223-E246 PolarHBondContact OH-OE1 2.96Å; E244-E246 HydrophobicContact CG-CB 3.91Å; E244-E246 HydrophobicContact CG-CG 3.9Å; E246-K248 PolarHBondContact O-N 3.38Å; E246-A249 PolarHBondContact O-N 3.32Å; E246-P295 HydrophobicContact CG-CB 4.22Å; E246-P295 WeakPolarHBondContact OE1-CB 3.32Å
247L83Confident82.9Confident55 Ų5570.2 Ų70.229%0.28834%0.337SS..THydrogen-bonded Turntrans-61.1-31.6176.9-161.990.3000111.9E271 W272 L275L247-E271 HydrophobicContact CD1-CB 4.45Å; L247-W272 HydrophobicContact CD1-CD2 3.69Å; L247-W272 HydrophobicContact CD1-CE3 3.99Å; L247-W272 HydrophobicContact CD1-CG 4.05Å; L247-W272 HydrophobicContact CD1-CZ2 4.27Å; L247-W272 HydrophobicContact CD1-CZ3 4.46Å; L247-W272 HydrophobicContact CD2-CZ2 4.46Å; L247-L275 HydrophobicContact CD1-CD2 4.13Å
248K74.7Confident82.5Confident138 Ų13868.3 Ų68.360%0.633%0.332SS*.THydrogen-bonded Turntrans-78.6-17.1-173.7-66.2-176.7-179.2177.10114.7E246 E250 K251 E252E246-K248 PolarHBondContact O-N 3.38Å; K248-E250 PolarHBondContact O-N 3.23Å; K248-K251 PolarHBondContact O-N 3.21Å; K248-K251 VanDerWaalsContact O-N 3.14Å; K248-E252 PolarHBondContact O-N 2.8Å
249A67.7Low82.1Confident14 Ų1474.5 Ų74.512%0.11637%0.37CS..Hα-helixtrans-60.2-33.8-17000000113E244 E246 N253E244-A249 HydrophobicContact CB-CB 3.97Å; E244-A249 HydrophobicContact CG-CB 3.9Å; E244-A249 WeakPolarHBondContact OE2-CB 3.38Å; E246-A249 PolarHBondContact O-N 3.32Å; A249-N253 PolarHBondContact O-ND2 3Å
250E65.8Low81.7Confident74 Ų7476.8 Ų76.835%0.34639%0.386SS..Hα-helixtrans-81.6-30.9-179.4-58.4-153.1171.100112.6K248 E252 N253 I274 K278K248-E250 PolarHBondContact O-N 3.23Å; E250-E252 PolarHBondContact O-N 2.79Å; E250-N253 PolarHBondContact O-N 2.98Å; E250-I274 VanDerWaalsContact OE1-CG2 3.26Å; E250-I274 WeakPolarHBondContact OE1-CG2 3.26Å; E250-I274 WeakPolarHBondContact OE2-CD1 3.27Å; E250-K278 IonicContact OE1-NZ 3.39Å; E250-K278 PolarHBondContact OE1-NZ 3.44Å
251K60.7Low81.4Confident126 Ų12682.9 Ų82.955%0.54842%0.423SS..Hα-helixtrans-65.6-36.2179-175.2173.3-178.6169.80113K248 N253 A254K248-K251 PolarHBondContact O-N 3.21Å; K248-K251 VanDerWaalsContact O-N 3.14Å; K251-N253 VanDerWaalsContact C-N 3.29Å; K251-N253 PolarHBondContact O-N 3.35Å; K251-A254 VanDerWaalsContact O-O 3.07Å
252E67.6Low81.2Confident163 Ų16389.8 Ų89.876%0.76246%0.455SS*.Hα-helixtrans-74.4-22.3-179.9-67.2-170.7173.900112.8K248 E250K248-E252 PolarHBondContact O-N 2.8Å; E250-E252 PolarHBondContact O-N 2.79Å
253N71.1Confident80.9Confident143 Ų14390.9 Ų90.977%0.76546%0.459SS*.Hα-helixtrans-87.3-11.7-178.5-72.7-48.2000113.7A249 E250 K251A249-N253 PolarHBondContact O-ND2 3Å; E250-N253 PolarHBondContact O-N 2.98Å; K251-N253 VanDerWaalsContact C-N 3.29Å; K251-N253 PolarHBondContact O-N 3.35Å
254A75.6Confident80.7Confident56 Ų5696 Ų9646%0.46348%0.478SS..  trans-145.6134.1-175.600000113.3K251 I256K251-A254 VanDerWaalsContact O-O 3.07Å; A254-I256 PolarHBondContact O-N 3.47Å
255E80.8Confident80.6Confident147 Ų14798 Ų9869%0.68749%0.486SS*.  trans-78.9107.1166.8-170.6-169.4151.900109.1R257E255-R257 IonicContact OE1-CZ 3.31Å; E255-R257 IonicContact OE1-NE 2.65Å; E255-R257 PolarHBondContact OE1-NE 3.49Å; E255-R257 IonicContact OE1-NH2 2.74Å; E255-R257 PolarHBondContact OE1-NH2 2.64Å; E255-R257 IonicContact OE2-NH2 2.65Å
256I79.9Confident80.5Confident85 Ų85104.5 Ų104.544%0.43652%0.515SS..  trans-91.5111.5177.5-51.5176.9000109.1A254 V258 V267A254-I256 PolarHBondContact O-N 3.47Å; I256-V258 HydrophobicContact CG2-CG2 3.82Å; I256-V267 HydrophobicContact CD1-CG1 3.65Å; I256-V267 HydrophobicContact CG2-CG1 4.22Å; I256-V267 HydrophobicContact CG2-CG2 3.95Å
257R83.6Confident80.5Confident202 Ų202104.5 Ų104.576%0.76252%0.517SS*.  trans-94.5119174-66.3-174.4-179.81726.1110E255E255-R257 IonicContact OE1-CZ 3.31Å; E255-R257 IonicContact OE1-NE 2.65Å; E255-R257 PolarHBondContact OE1-NE 3.49Å; E255-R257 IonicContact OE1-NH2 2.74Å; E255-R257 PolarHBondContact OE1-NH2 2.64Å; E255-R257 IonicContact OE2-NH2 2.65Å
258V85.4Confident80.6Confident51 Ų51103.5 Ų103.531%0.30951%0.513SS..  trans-117.7135.8-176.7-172.70000109.4I256 S260 E263 Y264 V267I256-V258 HydrophobicContact CG2-CG2 3.82Å; V258-S260 WeakPolarHBondContact CG1-O 3.49Å; V258-E263 HydrophobicContact CG1-CB 3.4Å; V258-E263 VanDerWaalsContact CG1-CB 3.4Å; V258-Y264 VanDerWaalsContact CG1-N 3.34Å; V258-V267 HydrophobicContact CG2-CG2 4.25Å
259T87.6Confident81.4Confident130 Ų130100.9 Ų100.980%0.79851%0.506SS*.SBendtrans-102.4-21.6-177.862.10000113.8E263T259-E263 PolarHBondContact N-OE2 3.07Å; T259-E263 PolarHBondContact OG1-OE2 3.47Å
260S88.4Confident82.4Confident48 Ų48102.2 Ų102.234%0.33652%0.517SS..SBendtrans-130.3155.7179.7680000113V258 E262 E263 Y264V258-S260 WeakPolarHBondContact CG1-O 3.49Å; S260-E262 VanDerWaalsContact C-N 3.26Å; S260-E262 PolarHBondContact O-N 3.26Å; S260-E263 PolarHBondContact N-OE2 2.93Å; S260-E263 PolarHBondContact O-N 3.31Å; S260-E263 WeakPolarHBondContact OG-CB 3.16Å; S260-E263 WeakPolarHBondContact OG-CG 3.31Å; S260-E263 PolarHBondContact OG-N 3.09Å; S260-E263 PolarHBondContact OG-OE2 3.48Å; S260-Y264 PolarHBondContact O-N 3.29Å
261V89.1Confident83.3Confident129 Ų129100.3 Ų100.378%0.78251%0.508SS*.Hα-helixtrans-62.9-34.6176.7-179.40000111.5Y264 Q265V261-Y264 WeakPolarHBondContact O-CB 3.23Å; V261-Y264 PolarHBondContact O-N 3.45Å; V261-Q265 PolarHBondContact O-N 2.95Å; V261-Q265 VanDerWaalsContact O-N 3.13Å
262E90Very high84.8Confident147 Ų14798.6 Ų98.669%0.68750%0.498SS*.Hα-helixtrans-67-40.3177.8-64.6-178.9-174.300112.4S260 Y264 Q265 K266S260-E262 VanDerWaalsContact C-N 3.26Å; S260-E262 PolarHBondContact O-N 3.26Å; E262-Y264 VanDerWaalsContact C-N 3.27Å; E262-Y264 PolarHBondContact O-N 3.45Å; E262-Q265 PolarHBondContact O-N 2.82Å; E262-K266 WeakPolarHBondContact O-CG 3.32Å; E262-K266 PolarHBondContact O-N 2.92Å; E262-K266 VanDerWaalsContact O-N 3.11Å
263E88Confident85.9Confident81 Ų8196.2 Ų96.238%0.37949%0.487SS..Hα-helixtrans-63.2-36172.9-74.6168.8173.900111.3V258 T259 S260 K266 V267V258-E263 HydrophobicContact CG1-CB 3.4Å; V258-E263 VanDerWaalsContact CG1-CB 3.4Å; T259-E263 PolarHBondContact N-OE2 3.07Å; T259-E263 PolarHBondContact OG1-OE2 3.47Å; S260-E263 PolarHBondContact N-OE2 2.93Å; S260-E263 PolarHBondContact O-N 3.31Å; S260-E263 WeakPolarHBondContact OG-CB 3.16Å; S260-E263 WeakPolarHBondContact OG-CG 3.31Å; S260-E263 PolarHBondContact OG-N 3.09Å; S260-E263 PolarHBondContact OG-OE2 3.48Å; E263-K266 PolarHBondContact O-N 3.49Å; E263-V267 WeakPolarHBondContact O-CG2 3.49Å; E263-V267 PolarHBondContact O-N 3.1Å
264Y86.3Confident86.8Confident132 Ų13292 Ų9252%0.51846%0.464SS..Hα-helixtrans-63.5-44.1177.9-177.3-96.3000111V258 S260 V261 E262 K266 V267 V268V258-Y264 VanDerWaalsContact CG1-N 3.34Å; S260-Y264 PolarHBondContact O-N 3.29Å; V261-Y264 WeakPolarHBondContact O-CB 3.23Å; V261-Y264 PolarHBondContact O-N 3.45Å; E262-Y264 VanDerWaalsContact C-N 3.27Å; E262-Y264 PolarHBondContact O-N 3.45Å; Y264-K266 VanDerWaalsContact C-N 3.33Å; Y264-K266 PolarHBondContact O-N 3.38Å; Y264-V267 WeakPolarHBondContact O-CB 3.48Å; Y264-V267 PolarHBondContact O-N 3.18Å; Y264-V268 HydrophobicContact CD1-CG2 4.26Å; Y264-V268 HydrophobicContact CE1-CG2 3.87Å; Y264-V268 WeakPolarHBondContact O-CG2 3.41Å; Y264-V268 PolarHBondContact O-N 2.99Å; Y264-V268 VanDerWaalsContact O-N 3.09Å
265Q88.6Confident87.6Confident98 Ų9889.7 Ų89.746%0.45844%0.444SS..Hα-helixtrans-61.9-41.5175.6-171.460.245.900111.6V261 E262 V267 V268 D269V261-Q265 PolarHBondContact O-N 2.95Å; V261-Q265 VanDerWaalsContact O-N 3.13Å; E262-Q265 PolarHBondContact O-N 2.82Å; Q265-V267 VanDerWaalsContact C-N 3.29Å; Q265-V267 PolarHBondContact O-N 2.92Å; Q265-V268 PolarHBondContact O-N 3Å; Q265-D269 PolarHBondContact NE2-OD1 2.73Å; Q265-D269 PolarHBondContact O-N 3.37Å
266K89.6Confident88.2Confident138 Ų13887.5 Ų87.560%0.643%0.43SS*.Hα-helixtrans-60.7-36.7175.6-70.8174.1-175.5171.20112.8E262 E263 Y264 A270E262-K266 WeakPolarHBondContact O-CG 3.32Å; E262-K266 PolarHBondContact O-N 2.92Å; E262-K266 VanDerWaalsContact O-N 3.11Å; E263-K266 PolarHBondContact O-N 3.49Å; Y264-K266 VanDerWaalsContact C-N 3.33Å; Y264-K266 PolarHBondContact O-N 3.38Å; K266-A270 VanDerWaalsContact O-CB 3.28Å; K266-A270 WeakPolarHBondContact O-CB 3.28Å; K266-A270 PolarHBondContact O-N 3.3Å
267V86.6Confident88.9Confident38 Ų3887.4 Ų87.423%0.2343%0.427CS..Hα-helixtrans-64.6-47.1175.2170.90000110.3I256 V258 E263 Y264 Q265 D269 A270 E271I256-V267 HydrophobicContact CD1-CG1 3.65Å; I256-V267 HydrophobicContact CG2-CG1 4.22Å; I256-V267 HydrophobicContact CG2-CG2 3.95Å; V258-V267 HydrophobicContact CG2-CG2 4.25Å; E263-V267 WeakPolarHBondContact O-CG2 3.49Å; E263-V267 PolarHBondContact O-N 3.1Å; Y264-V267 WeakPolarHBondContact O-CB 3.48Å; Y264-V267 PolarHBondContact O-N 3.18Å; Q265-V267 VanDerWaalsContact C-N 3.29Å; Q265-V267 PolarHBondContact O-N 2.92Å; V267-D269 PolarHBondContact O-N 3.48Å; V267-A270 PolarHBondContact O-N 3.46Å; V267-E271 WeakPolarHBondContact O-CG 3.38Å; V267-E271 PolarHBondContact O-N 2.82Å
268V86.5Confident89.3Confident33 Ų3379.7 Ų79.720%0.240%0.399CS..Hα-helixtrans-59.6-47.7177.2174.70000110.7Y264 Q265 A270 E271 W272Y264-V268 HydrophobicContact CD1-CG2 4.26Å; Y264-V268 HydrophobicContact CE1-CG2 3.87Å; Y264-V268 WeakPolarHBondContact O-CG2 3.41Å; Y264-V268 PolarHBondContact O-N 2.99Å; Y264-V268 VanDerWaalsContact O-N 3.09Å; Q265-V268 PolarHBondContact O-N 3Å; V268-A270 VanDerWaalsContact C-N 3.29Å; V268-A270 PolarHBondContact O-N 2.85Å; V268-E271 PolarHBondContact O-N 3.46Å; V268-W272 PolarHBondContact O-N 3.22Å
269D90.4Very high89.8Confident84 Ų8477.2 Ų77.245%0.44939%0.385SS..Hα-helixtrans-62.5-37.5179.4-63.3-17.6000111.6Q265 V267 W272 Q273Q265-D269 PolarHBondContact NE2-OD1 2.73Å; Q265-D269 PolarHBondContact O-N 3.37Å; V267-D269 PolarHBondContact O-N 3.48Å; D269-W272 PolarHBondContact O-N 3.01Å; D269-Q273 WeakPolarHBondContact O-CB 3.44Å; D269-Q273 PolarHBondContact O-N 3.19Å
270A88.2Confident90.1Very high41 Ų4173.5 Ų73.534%0.33936%0.36SS..Hα-helixtrans-65.8-41.2175.400000112.5K266 V267 V268 W272 Q273 I274K266-A270 VanDerWaalsContact O-CB 3.28Å; K266-A270 WeakPolarHBondContact O-CB 3.28Å; K266-A270 PolarHBondContact O-N 3.3Å; V267-A270 PolarHBondContact O-N 3.46Å; V268-A270 VanDerWaalsContact C-N 3.29Å; V268-A270 PolarHBondContact O-N 2.85Å; A270-W272 VanDerWaalsContact C-N 3.32Å; A270-W272 PolarHBondContact O-N 3.35Å; A270-Q273 PolarHBondContact O-N 3.2Å; A270-I274 VanDerWaalsContact O-CG1 3.24Å; A270-I274 WeakPolarHBondContact O-CG1 3.27Å; A270-I274 PolarHBondContact O-N 2.88Å
271E86.3Confident90.4Very high34 Ų3473.3 Ų73.316%0.15935%0.354CS..Hα-helixtrans-58.1-45.9175.3-72.7178.5168.400111.2L247 V267 V268 I274 L275L247-E271 HydrophobicContact CD1-CB 4.45Å; V267-E271 WeakPolarHBondContact O-CG 3.38Å; V267-E271 PolarHBondContact O-N 2.82Å; V268-E271 PolarHBondContact O-N 3.46Å; E271-I274 PolarHBondContact O-N 2.96Å; E271-L275 PolarHBondContact O-N 2.99Å; E271-L275 VanDerWaalsContact O-N 3.12Å
272W90.2Very high90.6Very high90 Ų9067.1 Ų67.134%0.34132%0.317SS..Hα-helixtrans-61.8-45.9175.2-79.3104.9000111.9L247 V268 D269 A270 I274 L275 Y276 V299L247-W272 HydrophobicContact CD1-CD2 3.69Å; L247-W272 HydrophobicContact CD1-CE3 3.99Å; L247-W272 HydrophobicContact CD1-CG 4.05Å; L247-W272 HydrophobicContact CD1-CZ2 4.27Å; L247-W272 HydrophobicContact CD1-CZ3 4.46Å; L247-W272 HydrophobicContact CD2-CZ2 4.46Å; V268-W272 PolarHBondContact O-N 3.22Å; D269-W272 PolarHBondContact O-N 3.01Å; A270-W272 VanDerWaalsContact C-N 3.32Å; A270-W272 PolarHBondContact O-N 3.35Å; W272-I274 PolarHBondContact O-N 3.27Å; W272-L275 PolarHBondContact O-N 3.26Å; W272-Y276 HydrophobicContact CE3-CD2 4.21Å; W272-Y276 AromaticContact CE3-CE2 3.5Å; W272-Y276 HydrophobicContact CE3-CE2 3.5Å; W272-Y276 HydrophobicContact CZ3-CE2 4Å; W272-Y276 VanDerWaalsContact O-CD2 3.22Å; W272-Y276 WeakPolarHBondContact O-CD2 3.45Å; W272-Y276 PolarHBondContact O-N 2.9Å; W272-V299 HydrophobicContact CE3-CG1 4.39Å; W272-V299 HydrophobicContact CH2-CG1 4.32Å; W272-V299 HydrophobicContact CH2-CG2 3.66Å; W272-V299 HydrophobicContact CZ3-CB 4.31Å; W272-V299 HydrophobicContact CZ3-CG1 3.55Å; W272-V299 HydrophobicContact CZ3-CG2 3.77Å
273Q92.2Very high90.8Very high114 Ų11465.6 Ų65.653%0.53331%0.306SS..Hα-helixtrans-60.8-46-180-174.7178.1-15.600111.3D269 A270 L275 Y276 E277D269-Q273 WeakPolarHBondContact O-CB 3.44Å; D269-Q273 PolarHBondContact O-N 3.19Å; A270-Q273 PolarHBondContact O-N 3.2Å; Q273-L275 VanDerWaalsContact C-N 3.34Å; Q273-L275 PolarHBondContact O-N 2.91Å; Q273-Y276 PolarHBondContact O-N 3.29Å; Q273-E277 HydrophobicContact CG-CG 4.25Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.28Å; Q273-E277 PolarHBondContact NE2-OE1 3.13Å; Q273-E277 WeakPolarHBondContact O-CB 3.39Å; Q273-E277 VanDerWaalsContact O-CG 3.23Å; Q273-E277 WeakPolarHBondContact O-CG 3.03Å; Q273-E277 PolarHBondContact O-N 3.31Å
274I90.2Very high91.1Very high53 Ų5369.1 Ų69.127%0.27232%0.32SS..Hα-helixtrans-62.4-41.8179.6-67.1164.9000111.2E250 A270 E271 W272 K278E250-I274 VanDerWaalsContact OE1-CG2 3.26Å; E250-I274 WeakPolarHBondContact OE1-CG2 3.26Å; E250-I274 WeakPolarHBondContact OE2-CD1 3.27Å; A270-I274 VanDerWaalsContact O-CG1 3.24Å; A270-I274 WeakPolarHBondContact O-CG1 3.27Å; A270-I274 PolarHBondContact O-N 2.88Å; E271-I274 PolarHBondContact O-N 2.96Å; W272-I274 PolarHBondContact O-N 3.27Å; I274-K278 HydrophobicContact CG2-CD 4.35Å; I274-K278 WeakPolarHBondContact O-CG 3.41Å; I274-K278 PolarHBondContact O-N 3.26Å; I274-K278 VanDerWaalsContact O-N 3.11Å
275L91.4Very high91.4Very high9 Ų966 Ų665%0.04731%0.309CS..Hα-helixtrans-62.6-51.6175.8-179.462.1000110.8L247 E271 W272 Q273 E277 K278 L279 V299L247-L275 HydrophobicContact CD1-CD2 4.13Å; E271-L275 PolarHBondContact O-N 2.99Å; E271-L275 VanDerWaalsContact O-N 3.12Å; W272-L275 PolarHBondContact O-N 3.26Å; Q273-L275 VanDerWaalsContact C-N 3.34Å; Q273-L275 PolarHBondContact O-N 2.91Å; L275-E277 VanDerWaalsContact C-N 3.31Å; L275-E277 PolarHBondContact O-N 3.27Å; L275-K278 PolarHBondContact O-N 3.32Å; L275-L279 HydrophobicContact CD1-CD1 4.32Å; L275-L279 HydrophobicContact CD1-CG 4.43Å; L275-L279 HydrophobicContact CG-CD1 4.08Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.01Å; L275-V299 HydrophobicContact CD2-CB 4.25Å; L275-V299 HydrophobicContact CD2-CG1 3.93Å
276Y93.7Very high91.6Very high101 Ų10163.2 Ų63.240%0.39631%0.306SS..Hα-helixtrans-63.4-35.5179.5-81-61.6000112.9W272 Q273 L279 D280 F303W272-Y276 HydrophobicContact CE3-CD2 4.21Å; W272-Y276 AromaticContact CE3-CE2 3.5Å; W272-Y276 HydrophobicContact CE3-CE2 3.5Å; W272-Y276 HydrophobicContact CZ3-CE2 4Å; W272-Y276 VanDerWaalsContact O-CD2 3.22Å; W272-Y276 WeakPolarHBondContact O-CD2 3.45Å; W272-Y276 PolarHBondContact O-N 2.9Å; Q273-Y276 PolarHBondContact O-N 3.29Å; Y276-L279 HydrophobicContact CD1-CD1 4.42Å; Y276-L279 PolarHBondContact O-N 2.79Å; Y276-D280 WeakPolarHBondContact O-CB 3.41Å; Y276-D280 PolarHBondContact O-N 3.13Å; Y276-F303 AromaticContact CD1-CD2 3.84Å; Y276-F303 HydrophobicContact CD1-CD2 3.84Å; Y276-F303 AromaticContact CD1-CE2 3.95Å; Y276-F303 HydrophobicContact CD1-CE2 3.95Å; Y276-F303 AromaticContact CE1-CD2 3.75Å; Y276-F303 HydrophobicContact CE1-CD2 3.75Å; Y276-F303 HydrophobicContact CE1-CE2 4.27Å
277E93.7Very high91.8Very high82 Ų8256.8 Ų56.838%0.38328%0.279SS..Hα-helixtrans-60.8-47.1174.1-79.1177.2-172.100111.2Q273 L275 L279 D280 I281Q273-E277 HydrophobicContact CG-CG 4.25Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.28Å; Q273-E277 PolarHBondContact NE2-OE1 3.13Å; Q273-E277 WeakPolarHBondContact O-CB 3.39Å; Q273-E277 VanDerWaalsContact O-CG 3.23Å; Q273-E277 WeakPolarHBondContact O-CG 3.03Å; Q273-E277 PolarHBondContact O-N 3.31Å; L275-E277 VanDerWaalsContact C-N 3.31Å; L275-E277 PolarHBondContact O-N 3.27Å; E277-L279 VanDerWaalsContact C-N 3.34Å; E277-L279 PolarHBondContact O-N 3.44Å; E277-D280 PolarHBondContact O-N 2.72Å; E277-I281 WeakPolarHBondContact O-CD1 3.34Å; E277-I281 WeakPolarHBondContact O-CG1 3.48Å; E277-I281 PolarHBondContact O-N 3.16Å
278K93.5Very high92.2Very high40 Ų4058.5 Ų58.517%0.17429%0.285CS..Hα-helixtrans-59-45.2175.3-70.4169.7-172167.40111.2L245 E250 I274 L275 L282 V335L245-K278 HydrophobicContact CD2-CB 4.49Å; E250-K278 IonicContact OE1-NZ 3.39Å; E250-K278 PolarHBondContact OE1-NZ 3.44Å; I274-K278 HydrophobicContact CG2-CD 4.35Å; I274-K278 WeakPolarHBondContact O-CG 3.41Å; I274-K278 PolarHBondContact O-N 3.26Å; I274-K278 VanDerWaalsContact O-N 3.11Å; L275-K278 PolarHBondContact O-N 3.32Å; K278-L282 PolarHBondContact O-N 3.39Å; K278-V335 HydrophobicContact CB-CG2 4.13Å; K278-V335 HydrophobicContact CG-CG2 4.3Å; K278-V335 WeakPolarHBondContact O-CG1 3.49Å
279L94.5Very high92.7Very high0 Ų057 Ų570%028%0.275CS..Hα-helixtrans-67.4-40.5-179.6-61.7173.4000112.5L245 L275 Y276 E277 L282 Y283 A300 F303 F304L245-L279 HydrophobicContact CD1-CD2 4.3Å; L245-L279 HydrophobicContact CD2-CD2 4.44Å; L275-L279 HydrophobicContact CD1-CD1 4.32Å; L275-L279 HydrophobicContact CD1-CG 4.43Å; L275-L279 HydrophobicContact CG-CD1 4.08Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.01Å; Y276-L279 HydrophobicContact CD1-CD1 4.42Å; Y276-L279 PolarHBondContact O-N 2.79Å; E277-L279 VanDerWaalsContact C-N 3.34Å; E277-L279 PolarHBondContact O-N 3.44Å; L279-L282 WeakPolarHBondContact O-CB 3.48Å; L279-L282 PolarHBondContact O-N 3.02Å; L279-Y283 PolarHBondContact O-N 3.1Å; L279-Y283 VanDerWaalsContact O-N 3.11Å; L279-A300 HydrophobicContact CD1-CB 4.11Å; L279-A300 HydrophobicContact CD2-CB 3.75Å; L279-F303 HydrophobicContact CB-CD1 3.73Å; L279-F303 HydrophobicContact CB-CE1 3.63Å; L279-F303 HydrophobicContact CB-CE2 4.49Å; L279-F303 HydrophobicContact CB-CG 4.23Å; L279-F303 HydrophobicContact CB-CZ 4.02Å; L279-F303 HydrophobicContact CD1-CB 4.02Å; L279-F303 HydrophobicContact CD1-CD1 4.2Å; L279-F303 HydrophobicContact CD1-CD2 4.45Å; L279-F303 HydrophobicContact CD1-CG 3.98Å; L279-F303 HydrophobicContact CG-CD1 4.42Å; L279-F304 HydrophobicContact CD2-CE1 3.89Å; L279-F304 HydrophobicContact CD2-CE2 3.81Å; L279-F304 HydrophobicContact CD2-CZ 3.32Å
280D94.6Very high92.9Very high52 Ų5253 Ų5328%0.27825%0.254SS..Hα-helixtrans-69-33.7-179.9-171.339.8000111.9Y276 E277 L282 Y283 K284Y276-D280 WeakPolarHBondContact O-CB 3.41Å; Y276-D280 PolarHBondContact O-N 3.13Å; E277-D280 PolarHBondContact O-N 2.72Å; D280-L282 VanDerWaalsContact C-N 3.34Å; D280-L282 PolarHBondContact O-N 3.43Å; D280-Y283 PolarHBondContact O-N 3.19Å; D280-K284 VanDerWaalsContact O-CB 3.31Å; D280-K284 WeakPolarHBondContact O-CB 3.3Å; D280-K284 VanDerWaalsContact O-CG 3.29Å; D280-K284 WeakPolarHBondContact O-CG 3.3Å; D280-K284 PolarHBondContact O-N 3.14Å; D280-K284 WeakPolarHBondContact OD2-CE 3.37Å; D280-K284 IonicContact OD2-NZ 3.72Å; D280-K284 PolarHBondContact OD2-NZ 3.12Å
281I94.2Very high93.3Very high43 Ų4351 Ų5122%0.22124%0.237CC..Hα-helixtrans-60.8-43.7172.2-66.2161.1000110.9E277 K284 K285 V335 H336E277-I281 WeakPolarHBondContact O-CD1 3.34Å; E277-I281 WeakPolarHBondContact O-CG1 3.48Å; E277-I281 PolarHBondContact O-N 3.16Å; I281-K284 PolarHBondContact O-N 2.87Å; I281-K285 WeakPolarHBondContact O-CG 3.3Å; I281-K285 PolarHBondContact O-N 2.86Å; I281-K285 VanDerWaalsContact O-N 3.12Å; I281-V335 HydrophobicContact CB-CG1 3.82Å; I281-V335 HydrophobicContact CG2-CG1 3.68Å; I281-H336 WeakPolarHBondContact CD1-ND1 3.36Å
282L94.5Very high93.7Very high0 Ų049.4 Ų49.40%023%0.23CC..Hα-helixtrans-63-44177.9-67.6169.6000111.4A239 L241 L245 K278 L279 D280 K285 G286 V287 V290 F304 M309 V335 L338A239-L282 HydrophobicContact CB-CD2 4.16Å; L241-L282 HydrophobicContact CD1-CD1 4.09Å; L241-L282 HydrophobicContact CD1-CD2 4.4Å; L245-L282 HydrophobicContact CD1-CD1 4.46Å; K278-L282 PolarHBondContact O-N 3.39Å; L279-L282 WeakPolarHBondContact O-CB 3.48Å; L279-L282 PolarHBondContact O-N 3.02Å; D280-L282 VanDerWaalsContact C-N 3.34Å; D280-L282 PolarHBondContact O-N 3.43Å; L282-K285 PolarHBondContact O-N 3.13Å; L282-G286 PolarHBondContact O-N 2.74Å; L282-V287 HydrophobicContact CD2-CG2 4.45Å; L282-V287 PolarHBondContact O-N 3.43Å; L282-V290 HydrophobicContact CD1-CG1 4.24Å; L282-V290 HydrophobicContact CD1-CG2 4.22Å; L282-F304 HydrophobicContact CD1-CE1 4.26Å; L282-F304 HydrophobicContact CD1-CZ 3.86Å; L282-M309 HydrophobicContact CB-CE 4.24Å; L282-V335 HydrophobicContact CD2-CG1 3.8Å; L282-V335 HydrophobicContact CG-CG1 3.73Å; L282-L338 HydrophobicContact CD2-CD2 3.93Å
283Y94.4Very high93.9Very high115 Ų11548.6 Ų48.645%0.45123%0.229SC..Hα-helixtrans-64-47.3177.6177.5-113.1000112.1L279 D280 K285 G286 R307 M309L279-Y283 PolarHBondContact O-N 3.1Å; L279-Y283 VanDerWaalsContact O-N 3.11Å; D280-Y283 PolarHBondContact O-N 3.19Å; Y283-K285 PolarHBondContact O-N 3.32Å; Y283-G286 WeakPolarHBondContact O-CA 3.44Å; Y283-G286 PolarHBondContact O-N 3.16Å; Y283-R307 HydrophobicContact CD2-CB 4.04Å; Y283-R307 HydrophobicContact CD2-CG 4.08Å; Y283-R307 HydrophobicContact CE2-CB 3.9Å; Y283-R307 HydrophobicContact CE2-CG 3.86Å; Y283-M309 HydrophobicContact CD2-SD 3.84Å
284K93.9Very high93.9Very high155 Ų15546.4 Ų46.467%0.67422%0.22SC*.Hα-helixtrans-60.1-28.4177.6-77.7170.7171.5163.20113.2D280 I281 G286D280-K284 VanDerWaalsContact O-CB 3.31Å; D280-K284 WeakPolarHBondContact O-CB 3.3Å; D280-K284 VanDerWaalsContact O-CG 3.29Å; D280-K284 WeakPolarHBondContact O-CG 3.3Å; D280-K284 PolarHBondContact O-N 3.14Å; D280-K284 WeakPolarHBondContact OD2-CE 3.37Å; D280-K284 IonicContact OD2-NZ 3.72Å; D280-K284 PolarHBondContact OD2-NZ 3.12Å; I281-K284 PolarHBondContact O-N 2.87Å; K284-G286 PolarHBondContact O-N 3.01Å
285K92.6Very high94Very high66 Ų6645 Ų4529%0.28722%0.215SC..THydrogen-bonded Turntrans-76.9-8.8173.8-74.5-66.2-167.51630114I281 L282 Y283 V287 L338 D340I281-K285 WeakPolarHBondContact O-CG 3.3Å; I281-K285 PolarHBondContact O-N 2.86Å; I281-K285 VanDerWaalsContact O-N 3.12Å; L282-K285 PolarHBondContact O-N 3.13Å; Y283-K285 PolarHBondContact O-N 3.32Å; K285-V287 VanDerWaalsContact C-N 3.31Å; K285-V287 HydrophobicContact CB-CG2 4.16Å; K285-L338 WeakPolarHBondContact CE-O 3.35Å; K285-L338 HydrophobicContact CG-CD2 4.46Å; K285-L338 PolarHBondContact NZ-O 2.98Å; K285-D340 IonicContact NZ-OD1 3.82Å; K285-D340 PolarHBondContact NZ-OD1 2.97Å
286G92.5Very high94.1Very high39 Ų3944.9 Ų44.940%0.40221%0.214SC..THydrogen-bonded Turntrans71.427.2-178.700000112.8K237 L282 Y283 K284K237-G286 WeakPolarHBondContact CD-O 3.41Å; L282-G286 PolarHBondContact O-N 2.74Å; Y283-G286 WeakPolarHBondContact O-CA 3.44Å; Y283-G286 PolarHBondContact O-N 3.16Å; K284-G286 PolarHBondContact O-N 3.01Å
287V94.7Very high94Very high4 Ų440.2 Ų40.22%0.02420%0.197CC..  trans-64136171.9178.70000108.3A239 L282 K285 I289 V290 M309 L343A239-V287 HydrophobicContact CB-CB 4.47Å; A239-V287 HydrophobicContact CB-CG1 3.58Å; A239-V287 HydrophobicContact CB-CG2 4.05Å; L282-V287 HydrophobicContact CD2-CG2 4.45Å; L282-V287 PolarHBondContact O-N 3.43Å; K285-V287 VanDerWaalsContact C-N 3.31Å; K285-V287 HydrophobicContact CB-CG2 4.16Å; V287-I289 VanDerWaalsContact CG1-O 3.26Å; V287-I289 WeakPolarHBondContact CG1-O 3.28Å; V287-V290 HydrophobicContact CG1-CG2 3.77Å; V287-M309 HydrophobicContact CB-CE 4.25Å; V287-M309 HydrophobicContact CG1-CE 4.48Å; V287-M309 VanDerWaalsContact O-CE 3.26Å; V287-M309 WeakPolarHBondContact O-CE 3.14Å; V287-M309 WeakPolarHBondContact O-CG 3.28Å; V287-L343 HydrophobicContact CG2-CD1 4.1Å; V287-L343 HydrophobicContact CG2-CD2 3.77Å
288Q95.1Very high93.9Very high74 Ų7440.7 Ų40.735%0.34620%0.202SC..  trans-107.9-28.4175.8-71.4-177.5-20.800112Y233 P236 K237 M309 F310Y233-Q288 HydrophobicContact CD1-CB 4.17Å; Y233-Q288 HydrophobicContact CE1-CB 4.32Å; P236-Q288 VanDerWaalsContact CA-OE1 3.26Å; P236-Q288 HydrophobicContact CB-CB 4.09Å; K237-Q288 PolarHBondContact O-N 2.96Å; Q288-M309 CarbonylContact O-C 3.51Å; Q288-M309 WeakPolarHBondContact O-CA 3.44Å; Q288-F310 PolarHBondContact O-N 2.91Å
289I95.7Very high93.8Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-124.7122.2-179.2-61.4179.2000109Y233 P236 K237 I238 A239 V287 L291 F310 F349 F362Y233-I289 HydrophobicContact CD2-CD1 4.28Å; Y233-I289 HydrophobicContact CD2-CG1 4.3Å; P236-I289 HydrophobicContact CB-CD1 3.59Å; P236-I289 HydrophobicContact CB-CG1 3.91Å; P236-I289 HydrophobicContact CG-CD1 3.53Å; P236-I289 HydrophobicContact CG-CG1 4.39Å; K237-I289 PolarHBondContact O-N 3.47Å; K237-I289 VanDerWaalsContact O-N 3.09Å; I238-I289 CarbonylContact C-O 3.55Å; I238-I289 WeakPolarHBondContact CA-O 3.35Å; I238-I289 HydrophobicContact CG1-CB 4.15Å; I238-I289 HydrophobicContact CG1-CD1 4.33Å; I238-I289 HydrophobicContact CG2-CB 4.42Å; I238-I289 HydrophobicContact CG2-CG2 4.2Å; A239-I289 PolarHBondContact N-O 2.78Å; V287-I289 VanDerWaalsContact CG1-O 3.26Å; V287-I289 WeakPolarHBondContact CG1-O 3.28Å; I289-L291 HydrophobicContact CG2-CD2 4.02Å; I289-L291 HydrophobicContact CG2-CG 4.09Å; I289-F310 CarbonylContact C-O 3.57Å; I289-F310 WeakPolarHBondContact CA-O 3.22Å; I289-F310 HydrophobicContact CG1-CB 4.33Å; I289-F310 HydrophobicContact CG2-CD1 4.14Å; I289-F349 HydrophobicContact CD1-CB 3.62Å; I289-F349 HydrophobicContact CD1-CD1 3.91Å; I289-F349 HydrophobicContact CD1-CD2 3.55Å; I289-F349 HydrophobicContact CD1-CE1 4.41Å; I289-F349 HydrophobicContact CD1-CE2 4.11Å; I289-F349 HydrophobicContact CD1-CG 3.39Å; I289-F349 HydrophobicContact CD1-CZ 4.5Å; I289-F362 HydrophobicContact CD1-CE1 4.03Å; I289-F362 HydrophobicContact CG2-CE1 4.14Å; I289-F362 HydrophobicContact CG2-CZ 4.12Å
290V95.5Very high93.8Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-113.9113.7177.6-177.80000109.3L241 L245 L282 V287 I296 F304 M309 F310 C311 A312L241-V290 HydrophobicContact CD1-CG1 3.61Å; L241-V290 HydrophobicContact CG-CG1 4.43Å; L245-V290 HydrophobicContact CD1-CG1 4.31Å; L282-V290 HydrophobicContact CD1-CG1 4.24Å; L282-V290 HydrophobicContact CD1-CG2 4.22Å; V287-V290 HydrophobicContact CG1-CG2 3.77Å; V290-I296 HydrophobicContact CG1-CD1 4.37Å; V290-F304 HydrophobicContact CB-CE2 4.5Å; V290-F304 HydrophobicContact CB-CZ 4.46Å; V290-F304 HydrophobicContact CG1-CE2 4.49Å; V290-F304 HydrophobicContact CG1-CZ 4.4Å; V290-F304 HydrophobicContact CG2-CE1 4.22Å; V290-F304 HydrophobicContact CG2-CE2 4.49Å; V290-F304 HydrophobicContact CG2-CZ 4.04Å; V290-M309 HydrophobicContact CG2-CE 3.87Å; V290-F310 PolarHBondContact N-O 2.99Å; V290-C311 HydrophobicContact CB-CB 4.25Å; V290-C311 CarbonylContact O-C 3.44Å; V290-C311 VanDerWaalsContact O-CA 3.24Å; V290-C311 WeakPolarHBondContact O-CA 3.36Å; V290-A312 PolarHBondContact O-N 3.1Å
291L95.8Very high93.7Very high0 Ų037.9 Ų37.90%019%0.19CC..EExtended strand (participates in β ladder)trans-109.7127.8174.2-56.7-175.6000109.3F217 A239 L240 L241 I289 A312 V315 L320 T323 F362F217-L291 HydrophobicContact CE1-CD1 3.98Å; F217-L291 HydrophobicContact CE1-CD2 4.49Å; F217-L291 HydrophobicContact CZ-CD1 4.04Å; F217-L291 HydrophobicContact CZ-CD2 3.75Å; A239-L291 PolarHBondContact O-N 3.39Å; L240-L291 HydrophobicContact CD2-CB 3.96Å; L240-L291 HydrophobicContact CD2-CD1 3.82Å; L240-L291 HydrophobicContact CD2-CG 4.23Å; L241-L291 PolarHBondContact N-O 3.2Å; I289-L291 HydrophobicContact CG2-CD2 4.02Å; I289-L291 HydrophobicContact CG2-CG 4.09Å; L291-A312 WeakPolarHBondContact CA-O 3.48Å; L291-A312 HydrophobicContact CD2-CB 3.83Å; L291-V315 HydrophobicContact CB-CG2 4.37Å; L291-V315 HydrophobicContact CD2-CG2 4.48Å; L291-L320 HydrophobicContact CB-CD1 4.1Å; L291-T323 HydrophobicContact CD1-CG2 4.01Å; L291-F362 HydrophobicContact CD1-CE2 4.4Å; L291-F362 HydrophobicContact CD1-CZ 3.83Å; L291-F362 HydrophobicContact CD2-CZ 4.49Å
292S94.8Very high93.6Very high0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-121.8139.1172.6-1720000112.2L241 I243 L294 A312 G313 R314 V315L241-S292 WeakPolarHBondContact O-CA 3.21Å; I243-S292 PolarHBondContact O-OG 3.48Å; S292-L294 WeakPolarHBondContact CB-O 3.36Å; S292-L294 PolarHBondContact O-N 2.94Å; S292-L294 PolarHBondContact OG-N 2.76Å; S292-L294 VanDerWaalsContact OG-N 3.1Å; S292-L294 PolarHBondContact OG-O 3Å; S292-A312 PolarHBondContact N-O 2.84Å; S292-G313 CarbonylContact O-C 3.5Å; S292-R314 PolarHBondContact O-N 2.89Å; S292-R314 VanDerWaalsContact O-N 3.09Å; S292-V315 PolarHBondContact O-N 2.89Å
293K94.2Very high93.6Very high74 Ų7439.7 Ų39.732%0.32220%0.197SC..SBendtrans-60.9-35.2166.2-172.5-177.7-177.8176.80111.4L241 N242 R314 E317 L320L241-K293 PolarHBondContact O-N 2.81Å; N242-K293 WeakPolarHBondContact OD1-CD 3.38Å; K293-R314 VanDerWaalsContact O-CA 3.29Å; K293-R314 WeakPolarHBondContact O-CA 3.37Å; K293-E317 IonicContact NZ-OE2 2.81Å; K293-E317 PolarHBondContact NZ-OE2 3.24Å; K293-L320 HydrophobicContact CB-CD2 4.1Å
294L93.1Very high93.6Very high67 Ų6734.2 Ų34.235%0.35118%0.176SC..SBendtrans-95.3170.4-177.5-64.4-179.2000110.8E244 S292 G313 R314E244-L294 HydrophobicContact CB-CB 4.1Å; E244-L294 HydrophobicContact CB-CD1 4.23Å; S292-L294 WeakPolarHBondContact CB-O 3.36Å; S292-L294 PolarHBondContact O-N 2.94Å; S292-L294 PolarHBondContact OG-N 2.76Å; S292-L294 VanDerWaalsContact OG-N 3.1Å; S292-L294 PolarHBondContact OG-O 3Å; L294-G313 CarbonylContact O-C 3.59Å; L294-G313 WeakPolarHBondContact O-CA 3.13Å; L294-R314 PolarHBondContact O-N 2.71Å
295P92.3Very high93.6Very high23 Ų2327.1 Ų27.115%0.14915%0.146CC..  trans-59.9149.3179.4-22.434.4000113.3E244 L245 E246 R314E244-P295 HydrophobicContact CG-CB 4.47Å; L245-P295 PolarHBondContact N-O 3.05Å; E246-P295 HydrophobicContact CG-CB 4.22Å; E246-P295 WeakPolarHBondContact OE1-CB 3.32Å; P295-R314 HydrophobicContact CB-CG 4.32Å; P295-R314 HydrophobicContact CG-CG 4.09Å
296I92.9Very high93.6Very high8 Ų829 Ų294%0.04116%0.16CC..BIsolated β-bridgetrans-119120.9169.1-61.6-179.2000106.1Y223 L245 V290 A300 F304 C311Y223-I296 WeakPolarHBondContact CD2-O 3.48Å; Y223-I296 WeakPolarHBondContact CE2-O 3.41Å; L245-I296 HydrophobicContact CB-CB 4.46Å; L245-I296 HydrophobicContact CB-CG1 4.32Å; L245-I296 HydrophobicContact CB-CG2 4.21Å; L245-I296 HydrophobicContact CD1-CD1 4.37Å; L245-I296 HydrophobicContact CD1-CG1 4.24Å; L245-I296 HydrophobicContact CD1-CG2 4.5Å; V290-I296 HydrophobicContact CG1-CD1 4.37Å; I296-A300 HydrophobicContact CG2-CB 3.72Å; I296-F304 HydrophobicContact CG2-CE2 4.37Å; I296-C311 HydrophobicContact CD1-CB 3.93Å
297G91.7Very high93.7Very high3 Ų331.2 Ų31.23%0.03116%0.156CC..  trans-73.6173.4-173.500000113.9L245 A300 T301L245-G297 PolarHBondContact O-N 3.13Å; G297-A300 PolarHBondContact O-N 3.31Å; G297-T301 WeakPolarHBondContact O-CB 3.47Å; G297-T301 PolarHBondContact O-N 3.35Å; G297-T301 PolarHBondContact O-OG1 3.28Å
298D91.1Very high93.6Very high91 Ų9136 Ų3649%0.48718%0.181SC..Hα-helixtrans-61.4-46.2176.859.6-21.5000113Y223 A300 T301 Q302Y223-D298 HydrophobicContact CD1-CB 4.05Å; Y223-D298 HydrophobicContact CG-CB 4.09Å; D298-A300 VanDerWaalsContact C-N 3.33Å; D298-A300 PolarHBondContact O-N 2.92Å; D298-T301 PolarHBondContact O-N 2.92Å; D298-Q302 PolarHBondContact O-N 3.35Å
299V92Very high93.5Very high28 Ų2832.6 Ų32.617%0.1717%0.165CC..Hα-helixtrans-57.6-46.5176.5174.60000111.3W272 L275 Q302 F303W272-V299 HydrophobicContact CE3-CG1 4.39Å; W272-V299 HydrophobicContact CH2-CG1 4.32Å; W272-V299 HydrophobicContact CH2-CG2 3.66Å; W272-V299 HydrophobicContact CZ3-CB 4.31Å; W272-V299 HydrophobicContact CZ3-CG1 3.55Å; W272-V299 HydrophobicContact CZ3-CG2 3.77Å; L275-V299 HydrophobicContact CD2-CB 4.25Å; L275-V299 HydrophobicContact CD2-CG1 3.93Å; V299-Q302 PolarHBondContact O-N 3.12Å; V299-F303 WeakPolarHBondContact O-CB 3.24Å; V299-F303 PolarHBondContact O-N 3.1Å
300A93.3Very high93.5Very high1 Ų132.6 Ų32.61%0.00817%0.165CC..Hα-helixtrans-65.5-43.3178.200000111.2L245 L279 I296 G297 D298 Q302 F303 F304L245-A300 HydrophobicContact CB-CB 4.16Å; L279-A300 HydrophobicContact CD1-CB 4.11Å; L279-A300 HydrophobicContact CD2-CB 3.75Å; I296-A300 HydrophobicContact CG2-CB 3.72Å; G297-A300 PolarHBondContact O-N 3.31Å; D298-A300 VanDerWaalsContact C-N 3.33Å; D298-A300 PolarHBondContact O-N 2.92Å; A300-Q302 VanDerWaalsContact C-N 3.33Å; A300-Q302 PolarHBondContact O-N 3.21Å; A300-F303 PolarHBondContact O-N 3.42Å; A300-F304 HydrophobicContact CB-CE2 4.31Å; A300-F304 WeakPolarHBondContact O-CD2 3.08Å; A300-F304 VanDerWaalsContact O-CG 3.32Å; A300-F304 WeakPolarHBondContact O-CG 3.34Å; A300-F304 PolarHBondContact O-N 3.11Å
301T93.3Very high93.5Very high4 Ų432.8 Ų32.83%0.02517%0.167CC..Hα-helixtrans-59.4-43.9177.5-57.10000111.5A224 F226 Q229 G297 D298 F304 A305A224-T301 WeakPolarHBondContact O-CG2 3.05Å; F226-T301 HydrophobicContact CB-CG2 4.11Å; Q229-T301 PolarHBondContact NE2-O 2.79Å; Q229-T301 VanDerWaalsContact NE2-O 3.16Å; G297-T301 WeakPolarHBondContact O-CB 3.47Å; G297-T301 PolarHBondContact O-N 3.35Å; G297-T301 PolarHBondContact O-OG1 3.28Å; D298-T301 PolarHBondContact O-N 2.92Å; T301-F304 PolarHBondContact O-N 3.22Å; T301-A305 WeakPolarHBondContact O-CB 3.31Å; T301-A305 PolarHBondContact O-N 3.13Å
302Q92.2Very high93.4Very high65 Ų6533 Ų3330%0.30417%0.168SC..Hα-helixtrans-67.2-44.3176.9-172.963.138.800111.9D298 V299 A300 F304 A305 D306D298-Q302 PolarHBondContact O-N 3.35Å; V299-Q302 PolarHBondContact O-N 3.12Å; A300-Q302 VanDerWaalsContact C-N 3.33Å; A300-Q302 PolarHBondContact O-N 3.21Å; Q302-F304 PolarHBondContact O-N 3.06Å; Q302-A305 WeakPolarHBondContact O-CB 3.43Å; Q302-A305 PolarHBondContact O-N 3.47Å; Q302-A305 VanDerWaalsContact O-N 3.07Å; Q302-D306 PolarHBondContact NE2-OD1 3.08Å; Q302-D306 PolarHBondContact O-N 2.65Å
303F94Very high93.4Very high16 Ų1633.2 Ų33.27%0.0717%0.171CC..Hα-helixtrans-56.8-40.4177.2178.8-85.4000112.3Y276 L279 V299 A300 R307Y276-F303 AromaticContact CD1-CD2 3.84Å; Y276-F303 HydrophobicContact CD1-CD2 3.84Å; Y276-F303 AromaticContact CD1-CE2 3.95Å; Y276-F303 HydrophobicContact CD1-CE2 3.95Å; Y276-F303 AromaticContact CE1-CD2 3.75Å; Y276-F303 HydrophobicContact CE1-CD2 3.75Å; Y276-F303 HydrophobicContact CE1-CE2 4.27Å; L279-F303 HydrophobicContact CB-CD1 3.73Å; L279-F303 HydrophobicContact CB-CE1 3.63Å; L279-F303 HydrophobicContact CB-CE2 4.49Å; L279-F303 HydrophobicContact CB-CG 4.23Å; L279-F303 HydrophobicContact CB-CZ 4.02Å; L279-F303 HydrophobicContact CD1-CB 4.02Å; L279-F303 HydrophobicContact CD1-CD1 4.2Å; L279-F303 HydrophobicContact CD1-CD2 4.45Å; L279-F303 HydrophobicContact CD1-CG 3.98Å; L279-F303 HydrophobicContact CG-CD1 4.42Å; V299-F303 WeakPolarHBondContact O-CB 3.24Å; V299-F303 PolarHBondContact O-N 3.1Å; A300-F303 PolarHBondContact O-N 3.42Å; F303-R307 VanDerWaalsContact CE2-NH1 3.35Å; F303-R307 VanDerWaalsContact CE2-NH2 3.3Å; F303-R307 VanDerWaalsContact CZ-NE 3.31Å; F303-R307 PolarHBondContact O-NH1 3.06Å; F303-R307 VanDerWaalsContact O-NH1 3.09Å
304F94.9Very high93.3Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-71.3-38.8175.4-66.8-41.5000112.4L245 L279 L282 V290 I296 A300 T301 Q302 D306 R307 D308 M309 C311L245-F304 HydrophobicContact CD1-CE2 4.18Å; L245-F304 HydrophobicContact CD1-CZ 4.23Å; L279-F304 HydrophobicContact CD2-CE1 3.89Å; L279-F304 HydrophobicContact CD2-CE2 3.81Å; L279-F304 HydrophobicContact CD2-CZ 3.32Å; L282-F304 HydrophobicContact CD1-CE1 4.26Å; L282-F304 HydrophobicContact CD1-CZ 3.86Å; V290-F304 HydrophobicContact CB-CE2 4.5Å; V290-F304 HydrophobicContact CB-CZ 4.46Å; V290-F304 HydrophobicContact CG1-CE2 4.49Å; V290-F304 HydrophobicContact CG1-CZ 4.4Å; V290-F304 HydrophobicContact CG2-CE1 4.22Å; V290-F304 HydrophobicContact CG2-CE2 4.49Å; V290-F304 HydrophobicContact CG2-CZ 4.04Å; I296-F304 HydrophobicContact CG2-CE2 4.37Å; A300-F304 HydrophobicContact CB-CE2 4.31Å; A300-F304 WeakPolarHBondContact O-CD2 3.08Å; A300-F304 VanDerWaalsContact O-CG 3.32Å; A300-F304 WeakPolarHBondContact O-CG 3.34Å; A300-F304 PolarHBondContact O-N 3.11Å; T301-F304 PolarHBondContact O-N 3.22Å; Q302-F304 PolarHBondContact O-N 3.06Å; F304-D306 PolarHBondContact O-N 2.77Å; F304-R307 CarbonylContact O-C 3.55Å; F304-R307 PolarHBondContact O-N 2.83Å; F304-R307 VanDerWaalsContact O-N 3.12Å; F304-D308 PolarHBondContact O-N 3.12Å; F304-M309 CarbonylContact C-O 3.54Å; F304-M309 HydrophobicContact CB-CB 3.87Å; F304-M309 HydrophobicContact CD1-CB 4.02Å; F304-M309 HydrophobicContact CD1-CE 3.52Å; F304-M309 HydrophobicContact CD1-SD 3.71Å; F304-M309 HydrophobicContact CE1-CE 3.52Å; F304-M309 HydrophobicContact CE1-SD 4.19Å; F304-M309 HydrophobicContact CG-CB 4.25Å; F304-M309 PolarHBondContact O-N 3.34Å; F304-C311 HydrophobicContact CD2-CB 3.53Å; F304-C311 HydrophobicContact CE2-CB 3.97Å; F304-C311 HydrophobicContact CG-CB 4.36Å
305A93.1Very high93.4Very high7 Ų732.4 Ų32.46%0.05816%0.161CC..Hα-helixtrans-60.4-43.3176.100000112.5G225 M228 Q229 T301 Q302 R307 D308G225-A305 WeakPolarHBondContact O-CB 3.2Å; M228-A305 HydrophobicContact CB-CB 4.26Å; Q229-A305 HydrophobicContact CG-CB 3.82Å; T301-A305 WeakPolarHBondContact O-CB 3.31Å; T301-A305 PolarHBondContact O-N 3.13Å; Q302-A305 WeakPolarHBondContact O-CB 3.43Å; Q302-A305 PolarHBondContact O-N 3.47Å; Q302-A305 VanDerWaalsContact O-N 3.07Å; A305-R307 PolarHBondContact O-N 3.39Å; A305-R307 VanDerWaalsContact O-N 3.1Å; A305-D308 PolarHBondContact O-N 2.9Å
306D93.3Very high93.4Very high106 Ų10634.4 Ų34.457%0.56717%0.174SC*.THydrogen-bonded Turntrans-65.6-12.9178-62-20.1000113.4Q302 F304Q302-D306 PolarHBondContact NE2-OD1 3.08Å; Q302-D306 PolarHBondContact O-N 2.65Å; F304-D306 PolarHBondContact O-N 2.77Å
307R93.9Very high93.4Very high84 Ų8438 Ų3832%0.31719%0.191SC..THydrogen-bonded Turntrans-118.914.1-174.4-72.7169.9177.671.53113.4Y283 F303 F304 A305 M309Y283-R307 HydrophobicContact CD2-CB 4.04Å; Y283-R307 HydrophobicContact CD2-CG 4.08Å; Y283-R307 HydrophobicContact CE2-CB 3.9Å; Y283-R307 HydrophobicContact CE2-CG 3.86Å; F303-R307 VanDerWaalsContact CE2-NH1 3.35Å; F303-R307 VanDerWaalsContact CE2-NH2 3.3Å; F303-R307 VanDerWaalsContact CZ-NE 3.31Å; F303-R307 PolarHBondContact O-NH1 3.06Å; F303-R307 VanDerWaalsContact O-NH1 3.09Å; F304-R307 CarbonylContact O-C 3.55Å; F304-R307 PolarHBondContact O-N 2.83Å; F304-R307 VanDerWaalsContact O-N 3.12Å; A305-R307 PolarHBondContact O-N 3.39Å; A305-R307 VanDerWaalsContact O-N 3.1Å; R307-M309 HydrophobicContact CB-CG 4.35Å; R307-M309 HydrophobicContact CB-SD 4.34Å; R307-M309 PolarHBondContact O-N 3.23Å
308D92.6Very high93.4Very high104 Ų10443.5 Ų43.556%0.55622%0.219SC*.THydrogen-bonded Turntrans54.837.1-178-64-46.2000113P230 Y233 F304 A305P230-D308 HydrophobicContact CG-CB 3.78Å; Y233-D308 WeakPolarHBondContact CE1-O 3.06Å; Y233-D308 PolarHBondContact OH-O 3.05Å; F304-D308 PolarHBondContact O-N 3.12Å; A305-D308 PolarHBondContact O-N 2.9Å
309M94.9Very high93.5Very high4 Ų439.4 Ų39.42%0.0220%0.198CC..  trans-105.6135.3174-66.3172.865.500110Q229 L282 Y283 V287 Q288 V290 F304 R307Q229-M309 VanDerWaalsContact CD-O 3.27Å; Q229-M309 VanDerWaalsContact CG-O 3.31Å; Q229-M309 WeakPolarHBondContact CG-O 3.34Å; L282-M309 HydrophobicContact CB-CE 4.24Å; Y283-M309 HydrophobicContact CD2-SD 3.84Å; V287-M309 HydrophobicContact CB-CE 4.25Å; V287-M309 HydrophobicContact CG1-CE 4.48Å; V287-M309 VanDerWaalsContact O-CE 3.26Å; V287-M309 WeakPolarHBondContact O-CE 3.14Å; V287-M309 WeakPolarHBondContact O-CG 3.28Å; Q288-M309 CarbonylContact O-C 3.51Å; Q288-M309 WeakPolarHBondContact O-CA 3.44Å; V290-M309 HydrophobicContact CG2-CE 3.87Å; F304-M309 CarbonylContact C-O 3.54Å; F304-M309 HydrophobicContact CB-CB 3.87Å; F304-M309 HydrophobicContact CD1-CB 4.02Å; F304-M309 HydrophobicContact CD1-CE 3.52Å; F304-M309 HydrophobicContact CD1-SD 3.71Å; F304-M309 HydrophobicContact CE1-CE 3.52Å; F304-M309 HydrophobicContact CE1-SD 4.19Å; F304-M309 HydrophobicContact CG-CB 4.25Å; F304-M309 PolarHBondContact O-N 3.34Å; R307-M309 HydrophobicContact CB-CG 4.35Å; R307-M309 HydrophobicContact CB-SD 4.34Å; R307-M309 PolarHBondContact O-N 3.23Å
310F95.4Very high93.5Very high0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-89137.7172.7-178.8-86.4000110.9F226 K231 Y233 Q288 I289 V290 A312 F349 N360F226-F310 HydrophobicContact CE2-CD2 4.39Å; F226-F310 AromaticContact CE2-CE2 3.64Å; F226-F310 HydrophobicContact CE2-CE2 3.64Å; F226-F310 AromaticContact CE2-CZ 3.81Å; F226-F310 HydrophobicContact CE2-CZ 3.81Å; F226-F310 AromaticContact CZ-CE2 3.56Å; F226-F310 HydrophobicContact CZ-CE2 3.56Å; F226-F310 AromaticContact CZ-CZ 3.83Å; F226-F310 HydrophobicContact CZ-CZ 3.83Å; K231-F310 HydrophobicContact CD-CE2 4.4Å; Y233-F310 HydrophobicContact CE2-CB 3.65Å; Y233-F310 PolarHBondContact OH-N 3.38Å; Q288-F310 PolarHBondContact O-N 2.91Å; I289-F310 CarbonylContact C-O 3.57Å; I289-F310 WeakPolarHBondContact CA-O 3.22Å; I289-F310 HydrophobicContact CG1-CB 4.33Å; I289-F310 HydrophobicContact CG2-CD1 4.14Å; V290-F310 PolarHBondContact N-O 2.99Å; F310-A312 HydrophobicContact CE1-CB 3.99Å; F310-F349 HydrophobicContact CD1-CE1 4.25Å; F310-F349 AromaticContact CD1-CZ 3.75Å; F310-F349 HydrophobicContact CD1-CZ 3.75Å; F310-F349 HydrophobicContact CD2-CE1 4.02Å; F310-F349 HydrophobicContact CD2-CZ 4.11Å; F310-F349 HydrophobicContact CE1-CE1 4.45Å; F310-F349 HydrophobicContact CE1-CE2 4.37Å; F310-F349 AromaticContact CE1-CZ 3.62Å; F310-F349 HydrophobicContact CE1-CZ 3.62Å; F310-F349 HydrophobicContact CE2-CE1 4.22Å; F310-F349 AromaticContact CE2-CZ 3.99Å; F310-F349 HydrophobicContact CE2-CZ 3.99Å; F310-F349 HydrophobicContact CG-CE1 4.04Å; F310-F349 HydrophobicContact CG-CZ 4Å; F310-F349 HydrophobicContact CZ-CE1 4.44Å; F310-F349 AromaticContact CZ-CZ 3.76Å; F310-F349 HydrophobicContact CZ-CZ 3.76Å; F310-N360 WeakPolarHBondContact CZ-OD1 3.46Å
311C94.9Very high93.5Very high4 Ų443 Ų433%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-134143.3173.569.90000113.2F226 Q229 V290 I296 F304F226-C311 WeakPolarHBondContact CE2-O 3.04Å; Q229-C311 PolarHBondContact NE2-SG 3.49Å; Q229-C311 VanDerWaalsContact OE1-N 3.09Å; V290-C311 HydrophobicContact CB-CB 4.25Å; V290-C311 CarbonylContact O-C 3.44Å; V290-C311 VanDerWaalsContact O-CA 3.24Å; V290-C311 WeakPolarHBondContact O-CA 3.36Å; I296-C311 HydrophobicContact CD1-CB 3.93Å; F304-C311 HydrophobicContact CD2-CB 3.53Å; F304-C311 HydrophobicContact CE2-CB 3.97Å; F304-C311 HydrophobicContact CG-CB 4.36Å
312A94.5Very high93.4Very high4 Ų443.3 Ų43.33%0.03321%0.211CC..EExtended strand (participates in β ladder)trans-136.8120.9169.600000110.4F217 V290 L291 S292 F310 V315F217-A312 HydrophobicContact CE2-CB 4.39Å; V290-A312 PolarHBondContact O-N 3.1Å; L291-A312 WeakPolarHBondContact CA-O 3.48Å; L291-A312 HydrophobicContact CD2-CB 3.83Å; S292-A312 PolarHBondContact N-O 2.84Å; F310-A312 HydrophobicContact CE1-CB 3.99Å; A312-V315 HydrophobicContact CB-CG2 4.16Å
313G93.1Very high93.4Very high5 Ų540.2 Ų40.25%0.05220%0.197CC..  trans-95.3168.3172.800000111.9T220 S292 L294 V315T220-G313 WeakPolarHBondContact CB-O 3.11Å; T220-G313 WeakPolarHBondContact CG2-O 3.42Å; T220-G313 PolarHBondContact OG1-O 3.32Å; S292-G313 CarbonylContact O-C 3.5Å; L294-G313 CarbonylContact O-C 3.59Å; L294-G313 WeakPolarHBondContact O-CA 3.13Å; G313-V315 PolarHBondContact O-N 3.37Å
314R93.6Very high93.3Very high122 Ų12242.3 Ų42.346%0.4621%0.207SC..SBendtrans58.134179.2-51.4-176.3-174.6-179.91.1113.5T220 S292 K293 L294 P295T220-R314 WeakPolarHBondContact CG2-O 3.39Å; S292-R314 PolarHBondContact O-N 2.89Å; S292-R314 VanDerWaalsContact O-N 3.09Å; K293-R314 VanDerWaalsContact O-CA 3.29Å; K293-R314 WeakPolarHBondContact O-CA 3.37Å; L294-R314 PolarHBondContact O-N 2.71Å; P295-R314 HydrophobicContact CB-CG 4.32Å; P295-R314 HydrophobicContact CG-CG 4.09Å
315V94.4Very high93Very high2 Ų246.6 Ų46.61%0.01223%0.228CC..  trans-69.5129.6177.2-178.20000109.2F217 T220 L291 S292 A312 G313 D319 L320F217-V315 HydrophobicContact CE2-CG1 4.48Å; F217-V315 HydrophobicContact CE2-CG2 4.23Å; F217-V315 HydrophobicContact CZ-CG2 4.47Å; T220-V315 HydrophobicContact CG2-CG2 4.37Å; L291-V315 HydrophobicContact CB-CG2 4.37Å; L291-V315 HydrophobicContact CD2-CG2 4.48Å; S292-V315 PolarHBondContact O-N 2.89Å; A312-V315 HydrophobicContact CB-CG2 4.16Å; G313-V315 PolarHBondContact O-N 3.37Å; V315-D319 HydrophobicContact CG1-CB 4.14Å; V315-L320 HydrophobicContact CG1-CB 4.39Å
316P93.3Very high92.9Very high64 Ų6446.2 Ų46.242%0.41623%0.225SC..  trans-54.5142.2176.5-26.535.1000112D318 D319 L320P316-D318 VanDerWaalsContact C-N 3.28Å; P316-D318 PolarHBondContact O-N 3.28Å; P316-D319 HydrophobicContact CB-CB 4.4Å; P316-D319 PolarHBondContact O-N 3.42Å; P316-D319 VanDerWaalsContact O-N 3.11Å; P316-L320 PolarHBondContact O-N 2.8Å
317E92.5Very high92.8Very high84 Ų8441.3 Ų41.339%0.39320%0.199SC..Hα-helixtrans-60-38.5-175.5-176.5173.9156.600112.9K293 D319 L320 K321K293-E317 IonicContact NZ-OE2 2.81Å; K293-E317 PolarHBondContact NZ-OE2 3.24Å; E317-D319 VanDerWaalsContact C-N 3.34Å; E317-L320 PolarHBondContact O-N 3.27Å; E317-K321 HydrophobicContact CG-CD 4.33Å; E317-K321 WeakPolarHBondContact O-CG 3.33Å; E317-K321 PolarHBondContact O-N 3.15Å; E317-K321 WeakPolarHBondContact OE1-CE 3.45Å; E317-K321 IonicContact OE1-NZ 3.55Å; E317-K321 PolarHBondContact OE1-NZ 3.06Å
318D91.6Very high92.5Very high118 Ų11838 Ų3863%0.63119%0.192SC*.Hα-helixtrans-65.8-38.4178.4-65.5-35.1000111.8P316 R322P316-D318 VanDerWaalsContact C-N 3.28Å; P316-D318 PolarHBondContact O-N 3.28Å; D318-R322 WeakPolarHBondContact O-CB 3.4Å; D318-R322 VanDerWaalsContact O-CG 3.24Å; D318-R322 WeakPolarHBondContact O-CG 3.41Å; D318-R322 PolarHBondContact O-N 3.5Å
319D92.8Very high92.4Very high6 Ų633.3 Ų33.33%0.03217%0.168CC..Hα-helixtrans-69.7-41.2176.3-70.4-33.1000111.1K199 F217 V315 P316 E317 K321 R322 T323K199-D319 VanDerWaalsContact CE-OD1 3.27Å; K199-D319 WeakPolarHBondContact CE-OD1 3.46Å; K199-D319 IonicContact NZ-OD1 3.82Å; K199-D319 PolarHBondContact NZ-OD1 2.91Å; K199-D319 IonicContact NZ-OD2 2.98Å; K199-D319 PolarHBondContact NZ-OD2 3.43Å; F217-D319 HydrophobicContact CB-CB 4.01Å; F217-D319 WeakPolarHBondContact CB-OD2 3.39Å; F217-D319 HydrophobicContact CG-CB 4.45Å; V315-D319 HydrophobicContact CG1-CB 4.14Å; P316-D319 HydrophobicContact CB-CB 4.4Å; P316-D319 PolarHBondContact O-N 3.42Å; P316-D319 VanDerWaalsContact O-N 3.11Å; E317-D319 VanDerWaalsContact C-N 3.34Å; D319-K321 VanDerWaalsContact C-N 3.34Å; D319-K321 PolarHBondContact O-N 3.42Å; D319-R322 PolarHBondContact O-N 3.15Å; D319-R322 IonicContact OD1-NH1 3.89Å; D319-T323 PolarHBondContact O-N 2.67Å; D319-T323 PolarHBondContact O-OG1 2.91Å; D319-T323 VanDerWaalsContact O-OG1 3.08Å
320L93Very high92.3Very high6 Ų634.8 Ų34.83%0.03118%0.178CC..Hα-helixtrans-61.2-43.1176.4-166.672.6000111.6L240 L291 K293 V315 P316 E317 T323 Q324 V331L240-L320 HydrophobicContact CB-CD1 4.23Å; L240-L320 HydrophobicContact CD2-CD1 3.92Å; L291-L320 HydrophobicContact CB-CD1 4.1Å; K293-L320 HydrophobicContact CB-CD2 4.1Å; V315-L320 HydrophobicContact CG1-CB 4.39Å; P316-L320 PolarHBondContact O-N 2.8Å; E317-L320 PolarHBondContact O-N 3.27Å; L320-T323 PolarHBondContact O-N 3.31Å; L320-Q324 VanDerWaalsContact O-CB 3.31Å; L320-Q324 WeakPolarHBondContact O-CB 3.43Å; L320-Q324 PolarHBondContact O-N 3.06Å; L320-V331 HydrophobicContact CD2-CG1 4.04Å; L320-V331 HydrophobicContact CD2-CG2 3.89Å; L320-V331 HydrophobicContact CG-CG2 4.04Å
321K91.7Very high92.3Very high97 Ų9737 Ų3742%0.42219%0.191SC..Hα-helixtrans-64.3-39.1174.7-74.8175.5-175.2165.20112.1E317 D319 Q324 M325E317-K321 HydrophobicContact CG-CD 4.33Å; E317-K321 WeakPolarHBondContact O-CG 3.33Å; E317-K321 PolarHBondContact O-N 3.15Å; E317-K321 WeakPolarHBondContact OE1-CE 3.45Å; E317-K321 IonicContact OE1-NZ 3.55Å; E317-K321 PolarHBondContact OE1-NZ 3.06Å; D319-K321 VanDerWaalsContact C-N 3.34Å; D319-K321 PolarHBondContact O-N 3.42Å; K321-Q324 WeakPolarHBondContact O-CB 3.3Å; K321-Q324 PolarHBondContact O-N 3.28Å; K321-M325 VanDerWaalsContact O-CG 3.24Å; K321-M325 WeakPolarHBondContact O-CG 3.37Å; K321-M325 PolarHBondContact O-N 2.9Å
322R91.3Very high92.2Very high11 Ų1139.1 Ų39.14%0.04220%0.201CC..Hα-helixtrans-66-44.6176.3-72.9175.873-125-6.1111.3K194 M195 V215 D318 D319 Q324 M325 A326 C371 T372K194-R322 WeakPolarHBondContact O-CD 3.3Å; M195-R322 PolarHBondContact O-NE 3.47Å; M195-R322 PolarHBondContact O-NH2 3.08Å; V215-R322 HydrophobicContact CG1-CB 4.24Å; V215-R322 HydrophobicContact CG2-CB 4.12Å; D318-R322 WeakPolarHBondContact O-CB 3.4Å; D318-R322 VanDerWaalsContact O-CG 3.24Å; D318-R322 WeakPolarHBondContact O-CG 3.41Å; D318-R322 PolarHBondContact O-N 3.5Å; D319-R322 PolarHBondContact O-N 3.15Å; D319-R322 IonicContact OD1-NH1 3.89Å; R322-Q324 VanDerWaalsContact C-N 3.32Å; R322-Q324 PolarHBondContact O-N 2.91Å; R322-M325 PolarHBondContact O-N 3.38Å; R322-A326 VanDerWaalsContact O-CB 3.28Å; R322-A326 WeakPolarHBondContact O-CB 3.26Å; R322-A326 PolarHBondContact O-N 3.36Å; R322-C371 PolarHBondContact NH2-O 2.91Å; R322-T372 PolarHBondContact NH1-OG1 3.3Å; R322-T372 PolarHBondContact NH2-OG1 2.99Å
323T92.7Very high92.1Very high0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-62.8-39.4174.1-53.70000111.6L240 L291 D319 L320 M325 A326 C327 F362L240-T323 HydrophobicContact CD2-CG2 3.98Å; L291-T323 HydrophobicContact CD1-CG2 4.01Å; D319-T323 PolarHBondContact O-N 2.67Å; D319-T323 PolarHBondContact O-OG1 2.91Å; D319-T323 VanDerWaalsContact O-OG1 3.08Å; L320-T323 PolarHBondContact O-N 3.31Å; T323-M325 PolarHBondContact O-N 3.47Å; T323-A326 PolarHBondContact O-N 3.17Å; T323-C327 HydrophobicContact CG2-CB 4.49Å; T323-C327 VanDerWaalsContact O-CB 3.3Å; T323-C327 WeakPolarHBondContact O-CB 3.36Å; T323-C327 PolarHBondContact O-N 3Å; T323-F362 HydrophobicContact CG2-CE1 4.47Å
324Q92.4Very high92Very high60 Ų6046.3 Ų46.328%0.2824%0.244SC..Hα-helixtrans-54.9-51.5173.9-170.7-168.7-19.200111.2L240 L320 K321 R322 G328 G329 V331L240-Q324 HydrophobicContact CD1-CB 3.68Å; L240-Q324 HydrophobicContact CD1-CG 4.1Å; L320-Q324 VanDerWaalsContact O-CB 3.31Å; L320-Q324 WeakPolarHBondContact O-CB 3.43Å; L320-Q324 PolarHBondContact O-N 3.06Å; K321-Q324 WeakPolarHBondContact O-CB 3.3Å; K321-Q324 PolarHBondContact O-N 3.28Å; R322-Q324 VanDerWaalsContact C-N 3.32Å; R322-Q324 PolarHBondContact O-N 2.91Å; Q324-G328 VanDerWaalsContact O-CA 3.31Å; Q324-G328 WeakPolarHBondContact O-CA 3.29Å; Q324-G328 PolarHBondContact O-N 3.04Å; Q324-G329 WeakPolarHBondContact CG-O 3.44Å; Q324-G329 PolarHBondContact O-N 2.97Å; Q324-V331 HydrophobicContact CB-CG2 4.49Å; Q324-V331 HydrophobicContact CG-CG2 4.33Å
325M88.5Confident91.9Very high90 Ų9040.6 Ų40.644%0.44322%0.223SC..Hα-helixtrans-70.8-39.5-177.6-65.4-69.6-62.900112.4M195 K321 R322 T323 A368M195-M325 HydrophobicContact CE-CB 3.66Å; M195-M325 HydrophobicContact CE-CE 3.6Å; M195-M325 HydrophobicContact CE-CG 3.6Å; M195-M325 HydrophobicContact CE-SD 4.38Å; M195-M325 HydrophobicContact SD-CB 4.05Å; M195-M325 HydrophobicContact SD-CG 4.43Å; K321-M325 VanDerWaalsContact O-CG 3.24Å; K321-M325 WeakPolarHBondContact O-CG 3.37Å; K321-M325 PolarHBondContact O-N 2.9Å; R322-M325 PolarHBondContact O-N 3.38Å; T323-M325 PolarHBondContact O-N 3.47Å; M325-A368 HydrophobicContact CB-CB 4.19Å; M325-A368 WeakPolarHBondContact O-CB 3.37Å; M325-A368 PolarHBondContact O-N 2.91Å
326A89.9Confident91.7Very high0 Ų045.2 Ų45.20%024%0.244CC..Hα-helixtrans-69.8-54.2-179.400000111.9V215 R322 T323 C365 Q367 T370V215-A326 HydrophobicContact CG2-CB 3.63Å; R322-A326 VanDerWaalsContact O-CB 3.28Å; R322-A326 WeakPolarHBondContact O-CB 3.26Å; R322-A326 PolarHBondContact O-N 3.36Å; T323-A326 PolarHBondContact O-N 3.17Å; A326-C365 HydrophobicContact CB-CB 3.83Å; A326-C365 WeakPolarHBondContact O-CB 3.41Å; A326-Q367 PolarHBondContact O-N 3.13Å; A326-T370 HydrophobicContact CB-CG2 3.83Å; A326-T370 WeakPolarHBondContact CB-OG1 2.81Å
327C91.5Very high91.3Very high3 Ų345.9 Ų45.92%0.0226%0.262CS..Hα-helixtrans-83.9-12.3-174.1-56.10000113.3I238 T323 G329 G344 T345I238-C327 HydrophobicContact CD1-CB 3.87Å; T323-C327 HydrophobicContact CG2-CB 4.49Å; T323-C327 VanDerWaalsContact O-CB 3.3Å; T323-C327 WeakPolarHBondContact O-CB 3.36Å; T323-C327 PolarHBondContact O-N 3Å; C327-G329 VanDerWaalsContact C-N 3.33Å; C327-G329 PolarHBondContact O-N 3.01Å; C327-G344 VanDerWaalsContact O-CA 3.25Å; C327-G344 WeakPolarHBondContact O-CA 3.28Å; C327-T345 WeakPolarHBondContact CA-O 3.2Å; C327-T345 WeakPolarHBondContact CB-O 3.37Å; C327-T345 PolarHBondContact O-N 3.15Å
328G89.1Confident91Very high15 Ų1542.1 Ų42.116%0.15525%0.245CC..  trans78.79.8178.500000115.9Q324Q324-G328 VanDerWaalsContact O-CA 3.31Å; Q324-G328 WeakPolarHBondContact O-CA 3.29Å; Q324-G328 PolarHBondContact O-N 3.04Å
329G89.5Confident90.9Very high5 Ų539.3 Ų39.35%0.05223%0.234CC..  trans-72.8169.6174.200000111.8Q324 C327 A342Q324-G329 WeakPolarHBondContact CG-O 3.44Å; Q324-G329 PolarHBondContact O-N 2.97Å; C327-G329 VanDerWaalsContact C-N 3.33Å; C327-G329 PolarHBondContact O-N 3.01Å; G329-A342 CarbonylContact C-O 3.55Å; G329-A342 WeakPolarHBondContact CA-O 3.22Å
330S92.8Very high90.7Very high35 Ų3543.6 Ų43.625%0.24526%0.257CS..  trans-119.7141.8170.357.70000109.6Q332 A342S330-Q332 PolarHBondContact O-N 3.12Å; S330-Q332 PolarHBondContact OG-NE2 3.34Å; S330-A342 PolarHBondContact N-O 3.21Å; S330-A342 VanDerWaalsContact OG-CA 3.29Å; S330-A342 WeakPolarHBondContact OG-CA 3.37Å; S330-A342 VanDerWaalsContact OG-CB 3.22Å; S330-A342 WeakPolarHBondContact OG-CB 3.39Å; S330-A342 PolarHBondContact OG-O 3.26Å
331V94.4Very high90.5Very high45 Ų4550.6 Ų50.627%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-74.2121.4177.6179.50000109L240 N242 L320 Q324L240-V331 HydrophobicContact CB-CG2 4.11Å; L240-V331 WeakPolarHBondContact O-CA 3.45Å; N242-V331 HydrophobicContact CB-CG1 3.76Å; L320-V331 HydrophobicContact CD2-CG1 4.04Å; L320-V331 HydrophobicContact CD2-CG2 3.89Å; L320-V331 HydrophobicContact CG-CG2 4.04Å; Q324-V331 HydrophobicContact CB-CG2 4.49Å; Q324-V331 HydrophobicContact CG-CG2 4.33Å
332Q94.4Very high90.5Very high49 Ų4946.1 Ų46.123%0.22928%0.276CS..EExtended strand (participates in β ladder)trans-105.6134.4-176.6-63.4-64.9-34.200111.4L240 L241 N242 S330 L338 A342L240-Q332 PolarHBondContact O-N 3.05Å; L241-Q332 CarbonylContact C-O 3.59Å; L241-Q332 WeakPolarHBondContact CA-O 3.43Å; L241-Q332 HydrophobicContact CD2-CB 4.19Å; N242-Q332 PolarHBondContact N-O 2.94Å; S330-Q332 PolarHBondContact O-N 3.12Å; S330-Q332 PolarHBondContact OG-NE2 3.34Å; Q332-L338 HydrophobicContact CB-CD1 4.4Å; Q332-L338 HydrophobicContact CG-CD1 3.69Å; Q332-A342 HydrophobicContact CG-CB 4.25Å
333T92.6Very high90.6Very high101 Ų10146.6 Ų46.662%0.6228%0.279SS*.SBendtrans-93.1-2.7176.151.10000113N242 I243N242-T333 HydrophobicContact CB-CG2 4.25Å; I243-T333 VanDerWaalsContact CG2-C 3.41Å; I243-T333 WeakPolarHBondContact CG2-O 3.35Å
334T91.1Very high90.6Very high60 Ų6046.8 Ų46.837%0.36828%0.281SS..  trans-144.4149.7173.9-178.80000109.4H336T334-H336 WeakPolarHBondContact CG2-O 3.24Å; T334-H336 PolarHBondContact OG1-N 3.36Å
335V90Very high90.7Very high2 Ų246.8 Ų46.81%0.01229%0.285CS..SBendtrans-83.8-25.1172.1-1640000110.9I243 K278 I281 L282 G337 L338I243-V335 HydrophobicContact CD1-CG2 3.26Å; K278-V335 HydrophobicContact CB-CG2 4.13Å; K278-V335 HydrophobicContact CG-CG2 4.3Å; K278-V335 WeakPolarHBondContact O-CG1 3.49Å; I281-V335 HydrophobicContact CB-CG1 3.82Å; I281-V335 HydrophobicContact CG2-CG1 3.68Å; L282-V335 HydrophobicContact CD2-CG1 3.8Å; L282-V335 HydrophobicContact CG-CG1 3.73Å; V335-G337 PolarHBondContact O-N 3.02Å; V335-L338 WeakPolarHBondContact O-CB 2.93Å; V335-L338 PolarHBondContact O-N 3.3Å
336H89.9Confident90.9Very high99 Ų9942.7 Ų42.746%0.45827%0.265SS..THydrogen-bonded Turntrans-71.6129.3-179.6-57.7-75.3000110.1I281 T334I281-H336 WeakPolarHBondContact CD1-ND1 3.36Å; T334-H336 WeakPolarHBondContact CG2-O 3.24Å; T334-H336 PolarHBondContact OG1-N 3.36Å
337G85.2Confident91.1Very high77 Ų7749 Ų4979%0.79430%0.295SS*.THydrogen-bonded Turntrans80.316.4-178.300000114.7V335 S339V335-G337 PolarHBondContact O-N 3.02Å; G337-S339 PolarHBondContact O-N 2.65Å
338L87.7Confident91.2Very high6 Ų650.4 Ų50.43%0.03131%0.305CS..  trans-55.5110.9174.7-169.663.3000110.4L282 K285 Q332 V335 A342 L343L282-L338 HydrophobicContact CD2-CD2 3.93Å; K285-L338 WeakPolarHBondContact CE-O 3.35Å; K285-L338 HydrophobicContact CG-CD2 4.46Å; K285-L338 PolarHBondContact NZ-O 2.98Å; Q332-L338 HydrophobicContact CB-CD1 4.4Å; Q332-L338 HydrophobicContact CG-CD1 3.69Å; V335-L338 WeakPolarHBondContact O-CB 2.93Å; V335-L338 PolarHBondContact O-N 3.3Å; L338-A342 HydrophobicContact CD1-CB 4.04Å; L338-L343 HydrophobicContact CD1-CD2 4.29Å; L338-L343 HydrophobicContact CD2-CD2 3.85Å; L338-L343 HydrophobicContact CG-CD2 4.17Å
339S88.1Confident91.4Very high59 Ų5949.8 Ų49.841%0.41330%0.298SS..  trans-83.5152.3176.266.60000110.1G337 N341 A342G337-S339 PolarHBondContact O-N 2.65Å; S339-N341 PolarHBondContact O-N 2.7Å; S339-A342 VanDerWaalsContact O-CB 3.31Å; S339-A342 WeakPolarHBondContact O-CB 3.46Å; S339-A342 PolarHBondContact O-N 3.12Å; S339-A342 PolarHBondContact OG-N 3.05Å
340D89.3Confident91.6Very high96 Ų9650.3 Ų50.351%0.51330%0.303SS..G310 helixtrans-67.7-26-179.1-64.10.6000111.3K285 A342 L343K285-D340 IonicContact NZ-OD1 3.82Å; K285-D340 PolarHBondContact NZ-OD1 2.97Å; D340-A342 PolarHBondContact O-N 2.86Å; D340-L343 PolarHBondContact O-N 2.92Å
341N89.5Confident91.7Very high152 Ų15249.8 Ų49.881%0.81330%0.296SS*.G310 helixtrans-69-18.8172.7-63.9-10000113.3S339 L343S339-N341 PolarHBondContact O-N 2.7Å; N341-L343 VanDerWaalsContact C-N 3.3Å
342A91.4Very high91.5Very high4 Ų451.9 Ų51.93%0.03331%0.305CS..G310 helixtrans-79.8-15.8177.100000112.6G329 S330 Q332 L338 S339 D340G329-A342 CarbonylContact C-O 3.55Å; G329-A342 WeakPolarHBondContact CA-O 3.22Å; S330-A342 PolarHBondContact N-O 3.21Å; S330-A342 VanDerWaalsContact OG-CA 3.29Å; S330-A342 WeakPolarHBondContact OG-CA 3.37Å; S330-A342 VanDerWaalsContact OG-CB 3.22Å; S330-A342 WeakPolarHBondContact OG-CB 3.39Å; S330-A342 PolarHBondContact OG-O 3.26Å; Q332-A342 HydrophobicContact CG-CB 4.25Å; L338-A342 HydrophobicContact CD1-CB 4.04Å; S339-A342 VanDerWaalsContact O-CB 3.31Å; S339-A342 WeakPolarHBondContact O-CB 3.46Å; S339-A342 PolarHBondContact O-N 3.12Å; S339-A342 PolarHBondContact OG-N 3.05Å; D340-A342 PolarHBondContact O-N 2.86Å
343L93.2Very high91.4Very high21 Ų2155.7 Ų55.711%0.1132%0.323CS..  trans-84.7136.2-178.7-59.4178000110.7K237 I238 A239 V287 L338 D340 N341K237-L343 HydrophobicContact CD-CD1 4.24Å; I238-L343 CarbonylContact O-C 3.55Å; I238-L343 WeakPolarHBondContact O-CA 3.42Å; A239-L343 HydrophobicContact CB-CD2 3.95Å; V287-L343 HydrophobicContact CG2-CD1 4.1Å; V287-L343 HydrophobicContact CG2-CD2 3.77Å; L338-L343 HydrophobicContact CD1-CD2 4.29Å; L338-L343 HydrophobicContact CD2-CD2 3.85Å; L338-L343 HydrophobicContact CG-CD2 4.17Å; D340-L343 PolarHBondContact O-N 2.92Å; N341-L343 VanDerWaalsContact C-N 3.3Å
344G93.3Very high91.3Very high3 Ų351.5 Ų51.53%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-86.2167.517300000112.4I238 C327I238-G344 PolarHBondContact N-O 2.91Å; I238-G344 PolarHBondContact O-N 3.4Å; C327-G344 VanDerWaalsContact O-CA 3.25Å; C327-G344 WeakPolarHBondContact O-CA 3.28Å
345T93.8Very high91.1Very high61 Ų6150.2 Ų50.237%0.37430%0.295SS..EExtended strand (participates in β ladder)trans-143.1152.9171-169.60000110.9P236 C327 P366P236-T345 WeakPolarHBondContact O-CA 3.49Å; P236-T345 PolarHBondContact O-OG1 3.04Å; C327-T345 WeakPolarHBondContact CA-O 3.2Å; C327-T345 WeakPolarHBondContact CB-O 3.37Å; C327-T345 PolarHBondContact O-N 3.15Å; T345-P366 HydrophobicContact CG2-CG 4Å; T345-P366 WeakPolarHBondContact O-CD 3.39Å
346C93.3Very high91Very high3 Ų354.8 Ų54.82%0.0233%0.327CS..  trans-136.9168.4169.9660000109.8S235 P236 I238 S348S235-C346 VanDerWaalsContact CA-O 3.24Å; S235-C346 WeakPolarHBondContact CA-O 3.4Å; P236-C346 VanDerWaalsContact CG-SG 3.54Å; I238-C346 HydrophobicContact CD1-CB 4.32Å; C346-S348 PolarHBondContact SG-O 3.13Å
347E92.5Very high91Very high133 Ų13352.1 Ų52.162%0.62132%0.315SS*.SBendtrans-72.1-47.8178.6-174.1177.8173.400111.2S235 E363 G364S235-E347 PolarHBondContact N-O 3.26Å; E347-E363 PolarHBondContact N-O 2.94Å; E347-G364 WeakPolarHBondContact CB-O 3.11Å; E347-G364 PolarHBondContact N-O 3.37Å
348S93.4Very high91.4Very high33 Ų3352.3 Ų52.323%0.23129%0.292CS..EExtended strand (participates in β ladder)trans-138.9147.417961.20000110.8Y233 C346 E363Y233-S348 WeakPolarHBondContact O-CA 3.42Å; C346-S348 PolarHBondContact SG-O 3.13Å; S348-E363 PolarHBondContact N-O 3.4Å; S348-E363 PolarHBondContact O-N 2.95Å
349F94.8Very high91.7Very high2 Ų252.1 Ų52.11%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-122.4141165.8171.3-88.7000109S232 Y233 P236 I289 F310 N360 I361 F362S232-F349 VanDerWaalsContact CA-O 3.22Å; S232-F349 WeakPolarHBondContact CA-O 3.15Å; S232-F349 PolarHBondContact OG-O 3.29Å; Y233-F349 AromaticContact CD2-CD1 3.61Å; Y233-F349 HydrophobicContact CD2-CD1 3.61Å; Y233-F349 HydrophobicContact CD2-CE1 4.17Å; Y233-F349 HydrophobicContact CD2-CG 4.4Å; Y233-F349 HydrophobicContact CE2-CD1 4.19Å; Y233-F349 HydrophobicContact CE2-CE1 4.3Å; Y233-F349 PolarHBondContact N-O 3.42Å; Y233-F349 PolarHBondContact O-N 2.84Å; P236-F349 HydrophobicContact CG-CB 4.11Å; I289-F349 HydrophobicContact CD1-CB 3.62Å; I289-F349 HydrophobicContact CD1-CD1 3.91Å; I289-F349 HydrophobicContact CD1-CD2 3.55Å; I289-F349 HydrophobicContact CD1-CE1 4.41Å; I289-F349 HydrophobicContact CD1-CE2 4.11Å; I289-F349 HydrophobicContact CD1-CG 3.39Å; I289-F349 HydrophobicContact CD1-CZ 4.5Å; F310-F349 HydrophobicContact CD1-CE1 4.25Å; F310-F349 AromaticContact CD1-CZ 3.75Å; F310-F349 HydrophobicContact CD1-CZ 3.75Å; F310-F349 HydrophobicContact CD2-CE1 4.02Å; F310-F349 HydrophobicContact CD2-CZ 4.11Å; F310-F349 HydrophobicContact CE1-CE1 4.45Å; F310-F349 HydrophobicContact CE1-CE2 4.37Å; F310-F349 AromaticContact CE1-CZ 3.62Å; F310-F349 HydrophobicContact CE1-CZ 3.62Å; F310-F349 HydrophobicContact CE2-CE1 4.22Å; F310-F349 AromaticContact CE2-CZ 3.99Å; F310-F349 HydrophobicContact CE2-CZ 3.99Å; F310-F349 HydrophobicContact CG-CE1 4.04Å; F310-F349 HydrophobicContact CG-CZ 4Å; F310-F349 HydrophobicContact CZ-CE1 4.44Å; F310-F349 AromaticContact CZ-CZ 3.76Å; F310-F349 HydrophobicContact CZ-CZ 3.76Å; F349-N360 HydrophobicContact CE2-CB 3.91Å; F349-N360 HydrophobicContact CZ-CB 4.12Å; F349-I361 WeakPolarHBondContact CA-O 3.39Å; F349-F362 AromaticContact CD2-CD1 3.88Å; F349-F362 HydrophobicContact CD2-CD1 3.88Å; F349-F362 HydrophobicContact CD2-CD2 4.14Å; F349-F362 AromaticContact CD2-CE1 3.54Å; F349-F362 HydrophobicContact CD2-CE1 3.54Å; F349-F362 AromaticContact CD2-CE2 3.76Å; F349-F362 HydrophobicContact CD2-CE2 3.76Å; F349-F362 HydrophobicContact CD2-CG 4.17Å; F349-F362 AromaticContact CD2-CZ 3.46Å; F349-F362 HydrophobicContact CD2-CZ 3.46Å; F349-F362 VanDerWaalsContact CD2-CZ 3.46Å; F349-F362 HydrophobicContact CE2-CD2 4.33Å; F349-F362 AromaticContact CE2-CE1 3.95Å; F349-F362 HydrophobicContact CE2-CE1 3.95Å; F349-F362 AromaticContact CE2-CE2 3.58Å; F349-F362 HydrophobicContact CE2-CE2 3.58Å; F349-F362 AromaticContact CE2-CZ 3.38Å; F349-F362 HydrophobicContact CE2-CZ 3.38Å
350G93.4Very high92Very high15 Ų1549.3 Ų49.316%0.15527%0.271CS..EExtended strand (participates in β ladder)trans-147.5140174.600000112.6K231 I361K231-G350 CarbonylContact O-C 3.52Å; K231-G350 VanDerWaalsContact O-CA 3.31Å; K231-G350 WeakPolarHBondContact O-CA 3.31Å; G350-I361 PolarHBondContact N-O 3.08Å; G350-I361 PolarHBondContact O-N 3.08Å
351E93.9Very high92.2Very high24 Ų2445.1 Ų45.111%0.11225%0.249CC..EExtended strand (participates in β ladder)trans-93.7112.1161.6-17517992.300108.8F226 K231 R358 F359F226-E351 WeakPolarHBondContact CE1-OE2 3.4Å; F226-E351 WeakPolarHBondContact CZ-OE2 3.27Å; K231-E351 HydrophobicContact CB-CB 4.11Å; K231-E351 HydrophobicContact CD-CB 4.09Å; K231-E351 HydrophobicContact CG-CB 4.45Å; K231-E351 PolarHBondContact O-N 3.42Å; E351-R358 HydrophobicContact CG-CB 3.91Å; E351-R358 WeakPolarHBondContact OE1-CD 3.44Å; E351-R358 IonicContact OE1-CZ 2.85Å; E351-R358 IonicContact OE1-NE 2.67Å; E351-R358 IonicContact OE1-NH1 3.13Å; E351-R358 PolarHBondContact OE1-NH1 3.29Å; E351-F359 CarbonylContact C-O 3.6Å; E351-F359 VanDerWaalsContact CA-O 3.27Å; E351-F359 WeakPolarHBondContact CA-O 3.34Å
352I91.5Very high92.4Very high90 Ų9037.9 Ų37.946%0.46221%0.21SC..EExtended strand (participates in β ladder)trans-114.7140.5-180-55.4-175.2000109.3I354 R358 F359 I361I352-I354 HydrophobicContact CG2-CG1 4.42Å; I352-R358 CarbonylContact O-C 3.55Å; I352-R358 WeakPolarHBondContact O-CA 3.29Å; I352-F359 PolarHBondContact N-O 3.44Å; I352-F359 PolarHBondContact O-N 3.2Å; I352-I361 HydrophobicContact CB-CD1 3.97Å; I352-I361 HydrophobicContact CD1-CD1 3.77Å; I352-I361 HydrophobicContact CG1-CD1 3.94Å
353Q91.8Very high92.4Very high129 Ų12941.6 Ų41.660%0.60323%0.227SC*.EExtended strand (participates in β ladder)trans-83.8124.1172.2-175.1173-9.300110.7G355 E357 R358Q353-G355 PolarHBondContact NE2-O 3.44Å; Q353-G355 VanDerWaalsContact NE2-O 3.13Å; Q353-E357 WeakPolarHBondContact CA-O 3.21Å; Q353-R358 HydrophobicContact CB-CG 4.36Å
354I89.8Confident92.1Very high13 Ų1342.1 Ų42.17%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-124.6111.1176-56.3174.2000107.2V201 L210 I352 S356 E357 F359 I374V201-I354 HydrophobicContact CG1-CG2 4.34Å; V201-I354 WeakPolarHBondContact CG1-O 3.14Å; L210-I354 HydrophobicContact CD2-CD1 4.37Å; I352-I354 HydrophobicContact CG2-CG1 4.42Å; I354-S356 PolarHBondContact O-N 3.41Å; I354-E357 CarbonylContact C-O 3.5Å; I354-E357 PolarHBondContact N-O 3.31Å; I354-E357 PolarHBondContact O-N 2.7Å; I354-E357 VanDerWaalsContact O-O 3.04Å; I354-F359 HydrophobicContact CB-CD2 4.1Å; I354-F359 HydrophobicContact CD1-CB 4.27Å; I354-F359 HydrophobicContact CD1-CD2 4.14Å; I354-F359 HydrophobicContact CD1-CG 4.28Å; I354-F359 HydrophobicContact CG1-CD2 4.38Å; I354-I374 HydrophobicContact CD1-CD1 3.35Å; I354-I374 HydrophobicContact CD1-CG2 4.4Å; I354-I374 HydrophobicContact CG2-CG2 4.21Å
355G87.8Confident91.7Very high33 Ų3343.1 Ų43.134%0.3424%0.243SC..THydrogen-bonded Turntrans64.2-129.9-170.700000111.6Q353Q353-G355 PolarHBondContact NE2-O 3.44Å; Q353-G355 VanDerWaalsContact NE2-O 3.13Å
356S87.7Confident91Very high98 Ų9844.4 Ų44.469%0.68525%0.252SS*.THydrogen-bonded Turntrans-87.7-2.6176.3530000113.7I354I354-S356 PolarHBondContact O-N 3.41Å
357E89.6Confident90.2Very high43 Ų4350.4 Ų50.420%0.20128%0.28CS..EExtended strand (participates in β ladder)trans-117149.8-171.6-56.2-169.3166.300111.5K218 Q353 I354 F359K218-E357 WeakPolarHBondContact CD-OE2 3.49Å; K218-E357 WeakPolarHBondContact CE-OE1 3.18Å; K218-E357 WeakPolarHBondContact CE-OE2 3.27Å; K218-E357 IonicContact NZ-OE1 2.7Å; K218-E357 PolarHBondContact NZ-OE1 2.89Å; K218-E357 IonicContact NZ-OE2 3.75Å; K218-E357 PolarHBondContact NZ-OE2 3.38Å; Q353-E357 WeakPolarHBondContact CA-O 3.21Å; I354-E357 CarbonylContact C-O 3.5Å; I354-E357 PolarHBondContact N-O 3.31Å; I354-E357 PolarHBondContact O-N 2.7Å; I354-E357 VanDerWaalsContact O-O 3.04Å; E357-F359 HydrophobicContact CB-CE2 3.97Å
358R92.7Very high88.9Confident80 Ų8044.5 Ų44.530%0.30225%0.254SS..EExtended strand (participates in β ladder)trans-99140.2172.6-61.2-168.1-168.4163.22.4110K219 E227 E351 I352 Q353K219-R358 HydrophobicContact CB-CB 4.07Å; K219-R358 VanDerWaalsContact CB-O 3.28Å; K219-R358 WeakPolarHBondContact CB-O 3.1Å; K219-R358 HydrophobicContact CD-CB 4.23Å; K219-R358 PolarHBondContact N-O 2.89Å; E227-R358 VanDerWaalsContact CD-NH1 3.33Å; E227-R358 IonicContact OE1-CZ 3.06Å; E227-R358 IonicContact OE1-NH1 2.76Å; E227-R358 PolarHBondContact OE1-NH1 3.12Å; E227-R358 VanDerWaalsContact OE1-NH1 3.08Å; E227-R358 IonicContact OE1-NH2 2.98Å; E227-R358 IonicContact OE2-CZ 3.16Å; E227-R358 IonicContact OE2-NH1 2.73Å; E227-R358 PolarHBondContact OE2-NH1 3.46Å; E227-R358 IonicContact OE2-NH2 3.63Å; E227-R358 PolarHBondContact OE2-NH2 2.92Å; E351-R358 HydrophobicContact CG-CB 3.91Å; E351-R358 WeakPolarHBondContact OE1-CD 3.44Å; E351-R358 IonicContact OE1-CZ 2.85Å; E351-R358 IonicContact OE1-NE 2.67Å; E351-R358 IonicContact OE1-NH1 3.13Å; E351-R358 PolarHBondContact OE1-NH1 3.29Å; I352-R358 CarbonylContact O-C 3.55Å; I352-R358 WeakPolarHBondContact O-CA 3.29Å; Q353-R358 HydrophobicContact CB-CG 4.36Å
359F94.3Very high88.2Confident3 Ų348.6 Ų48.61%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-120.1134.7179.3-81.9-95.9000110K199 V201 F217 K218 E351 I352 I354 E357 I361 I374K199-F359 HydrophobicContact CB-CE1 3.94Å; K199-F359 HydrophobicContact CB-CZ 4.45Å; K199-F359 HydrophobicContact CG-CE1 4.19Å; V201-F359 HydrophobicContact CG2-CD2 4.45Å; V201-F359 HydrophobicContact CG2-CE1 4.42Å; V201-F359 HydrophobicContact CG2-CE2 3.3Å; V201-F359 HydrophobicContact CG2-CZ 3.29Å; F217-F359 WeakPolarHBondContact O-CA 3.5Å; K218-F359 HydrophobicContact CB-CD1 4.49Å; K218-F359 HydrophobicContact CB-CE1 3.95Å; K218-F359 HydrophobicContact CB-CZ 4.08Å; K218-F359 HydrophobicContact CG-CZ 4.46Å; E351-F359 CarbonylContact C-O 3.6Å; E351-F359 VanDerWaalsContact CA-O 3.27Å; E351-F359 WeakPolarHBondContact CA-O 3.34Å; I352-F359 PolarHBondContact N-O 3.44Å; I352-F359 PolarHBondContact O-N 3.2Å; I354-F359 HydrophobicContact CB-CD2 4.1Å; I354-F359 HydrophobicContact CD1-CB 4.27Å; I354-F359 HydrophobicContact CD1-CD2 4.14Å; I354-F359 HydrophobicContact CD1-CG 4.28Å; I354-F359 HydrophobicContact CG1-CD2 4.38Å; E357-F359 HydrophobicContact CB-CE2 3.97Å; F359-I361 HydrophobicContact CB-CG1 4.29Å; F359-I374 HydrophobicContact CD1-CD1 4.07Å; F359-I374 HydrophobicContact CE1-CD1 4.45Å; F359-I374 HydrophobicContact CG-CD1 4.23Å
360N94.3Very high87.9Confident0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-88.8123.2169.3-63.6-50.3000108.2A216 F217 F310 F349 F362A216-N360 VanDerWaalsContact CA-O 3.28Å; A216-N360 WeakPolarHBondContact CA-O 3.47Å; F217-N360 HydrophobicContact CD2-CB 4.33Å; F217-N360 HydrophobicContact CE1-CB 4.2Å; F217-N360 HydrophobicContact CE2-CB 3.89Å; F217-N360 WeakPolarHBondContact CE2-ND2 3.22Å; F217-N360 HydrophobicContact CZ-CB 3.8Å; F217-N360 PolarHBondContact N-O 3.41Å; F217-N360 PolarHBondContact O-N 3.08Å; F310-N360 WeakPolarHBondContact CZ-OD1 3.46Å; F349-N360 HydrophobicContact CE2-CB 3.91Å; F349-N360 HydrophobicContact CZ-CB 4.12Å; N360-F362 HydrophobicContact CB-CE2 4.37Å
361I94.4Very high87.8Confident8 Ų848 Ų484%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-121.8126.2-171-58.4177000108.2I212 A216 F349 G350 I352 F359 E363I212-I361 HydrophobicContact CD1-CD1 3.76Å; I212-I361 HydrophobicContact CD1-CG1 4.04Å; I212-I361 HydrophobicContact CD1-CG2 4.21Å; I212-I361 HydrophobicContact CG2-CG2 3.62Å; A216-I361 HydrophobicContact CB-CG1 4.11Å; F349-I361 WeakPolarHBondContact CA-O 3.39Å; G350-I361 PolarHBondContact N-O 3.08Å; G350-I361 PolarHBondContact O-N 3.08Å; I352-I361 HydrophobicContact CB-CD1 3.97Å; I352-I361 HydrophobicContact CD1-CD1 3.77Å; I352-I361 HydrophobicContact CG1-CD1 3.94Å; F359-I361 HydrophobicContact CB-CG1 4.29Å; I361-E363 HydrophobicContact CG2-CG 3.55Å
362F93.7Very high87.8Confident0 Ų046.9 Ų46.90%026%0.256CS..EExtended strand (participates in β ladder)trans-111112.5173.9-62.4-102.3000107.7G214 V215 F217 I238 I289 L291 T323 F349 N360G214-F362 VanDerWaalsContact CA-O 3.29Å; G214-F362 WeakPolarHBondContact CA-O 3.47Å; V215-F362 PolarHBondContact N-O 2.91Å; V215-F362 VanDerWaalsContact N-O 3.09Å; V215-F362 PolarHBondContact O-N 3.1Å; F217-F362 HydrophobicContact CD1-CE2 4.21Å; F217-F362 HydrophobicContact CE1-CD2 4.17Å; F217-F362 AromaticContact CE1-CE2 3.35Å; F217-F362 HydrophobicContact CE1-CE2 3.35Å; F217-F362 HydrophobicContact CE1-CZ 4.11Å; F217-F362 AromaticContact CZ-CE2 3.97Å; F217-F362 HydrophobicContact CZ-CE2 3.97Å; F217-F362 HydrophobicContact CZ-CZ 4.46Å; I238-F362 HydrophobicContact CD1-CD1 3.71Å; I238-F362 HydrophobicContact CD1-CE1 3.71Å; I238-F362 HydrophobicContact CG1-CE1 4.24Å; I289-F362 HydrophobicContact CD1-CE1 4.03Å; I289-F362 HydrophobicContact CG2-CE1 4.14Å; I289-F362 HydrophobicContact CG2-CZ 4.12Å; L291-F362 HydrophobicContact CD1-CE2 4.4Å; L291-F362 HydrophobicContact CD1-CZ 3.83Å; L291-F362 HydrophobicContact CD2-CZ 4.49Å; T323-F362 HydrophobicContact CG2-CE1 4.47Å; F349-F362 AromaticContact CD2-CD1 3.88Å; F349-F362 HydrophobicContact CD2-CD1 3.88Å; F349-F362 HydrophobicContact CD2-CD2 4.14Å; F349-F362 AromaticContact CD2-CE1 3.54Å; F349-F362 HydrophobicContact CD2-CE1 3.54Å; F349-F362 AromaticContact CD2-CE2 3.76Å; F349-F362 HydrophobicContact CD2-CE2 3.76Å; F349-F362 HydrophobicContact CD2-CG 4.17Å; F349-F362 AromaticContact CD2-CZ 3.46Å; F349-F362 HydrophobicContact CD2-CZ 3.46Å; F349-F362 VanDerWaalsContact CD2-CZ 3.46Å; F349-F362 HydrophobicContact CE2-CD2 4.33Å; F349-F362 AromaticContact CE2-CE1 3.95Å; F349-F362 HydrophobicContact CE2-CE1 3.95Å; F349-F362 AromaticContact CE2-CE2 3.58Å; F349-F362 HydrophobicContact CE2-CE2 3.58Å; F349-F362 AromaticContact CE2-CZ 3.38Å; F349-F362 HydrophobicContact CE2-CZ 3.38Å; N360-F362 HydrophobicContact CB-CE2 4.37Å
363E91.4Very high87.9Confident82 Ų8242.6 Ų42.638%0.38323%0.234SC..EExtended strand (participates in β ladder)trans-114.8160.2179.6-50.3-177.313500110.9I212 E347 S348 I361I212-E363 HydrophobicContact CG2-CG 4.38Å; E347-E363 PolarHBondContact N-O 2.94Å; S348-E363 PolarHBondContact N-O 3.4Å; S348-E363 PolarHBondContact O-N 2.95Å; I361-E363 HydrophobicContact CG2-CG 3.55Å
364G86Confident88.1Confident32 Ų3236.4 Ų36.433%0.3321%0.205SC..SBendtrans60.751.9179.800000112.7E347E347-G364 WeakPolarHBondContact CB-O 3.11Å; E347-G364 PolarHBondContact N-O 3.37Å
365C84.8Confident88.3Confident24 Ų2435.8 Ų35.816%0.16220%0.202CC..  trans-79.6126.5179.3-70.90000110.8A326A326-C365 HydrophobicContact CB-CB 3.83Å; A326-C365 WeakPolarHBondContact O-CB 3.41Å
366P79.5Confident88.5Confident87 Ų8736 Ų3657%0.56519%0.192SC*.SBendtrans-81.1-23.4-168.630.5-36000115T345T345-P366 HydrophobicContact CG2-CG 4Å; T345-P366 WeakPolarHBondContact O-CD 3.39Å
367Q76Confident88.6Confident130 Ų13031.4 Ų31.461%0.60716%0.161SC*.SBendtrans-92.9-84.5-172.6-70.8-158.52.800112.8A326A326-Q367 PolarHBondContact O-N 3.13Å
368A65.8Low88.6Confident8 Ų832.5 Ų32.57%0.06618%0.184CC..SBendtrans-90.7133.3179.600000109.7M325 T370M325-A368 HydrophobicContact CB-CB 4.19Å; M325-A368 WeakPolarHBondContact O-CB 3.37Å; M325-A368 PolarHBondContact O-N 2.91Å; A368-T370 HydrophobicContact CB-CG2 4.24Å; A368-T370 PolarHBondContact O-N 3.28Å; A368-T370 VanDerWaalsContact O-N 3.09Å
369K78.8Confident88.3Confident119 Ų11930.6 Ų30.652%0.51719%0.185SC..  trans-77.7102.2170.3-57-177.1-177.8178.30109.1L186 L187L186-K369 WeakPolarHBondContact O-CB 3.48Å; L186-K369 WeakPolarHBondContact O-CD 3.49Å; L186-K369 WeakPolarHBondContact O-CG 3.34Å; L187-K369 WeakPolarHBondContact CD2-O 3.27Å
370T88.1Confident88Confident5 Ų536 Ų363%0.03121%0.21CC..  trans-109.8153.817464.40000109.6M195 G214 V215 A326 A368M195-T370 HydrophobicContact CB-CG2 4.06Å; M195-T370 HydrophobicContact CG-CG2 4.19Å; M195-T370 HydrophobicContact SD-CG2 3.73Å; G214-T370 VanDerWaalsContact CA-O 3.27Å; G214-T370 WeakPolarHBondContact CA-O 2.93Å; G214-T370 PolarHBondContact N-O 2.85Å; G214-T370 VanDerWaalsContact N-O 3.09Å; V215-T370 WeakPolarHBondContact CG2-OG1 3.45Å; A326-T370 HydrophobicContact CB-CG2 3.83Å; A326-T370 WeakPolarHBondContact CB-OG1 2.81Å; A368-T370 HydrophobicContact CB-CG2 4.24Å; A368-T370 PolarHBondContact O-N 3.28Å; A368-T370 VanDerWaalsContact O-N 3.09Å
371C91.9Very high87.6Confident0 Ų039.4 Ų39.40%023%0.226CC..EExtended strand (participates in β ladder)trans-139148.9175.264.40000110.8A183 L186 M195 I196 G197 L211 I212 G214 R322A183-C371 PolarHBondContact O-SG 3.22Å; A183-C371 VanDerWaalsContact O-SG 3.35Å; L186-C371 HydrophobicContact CB-CB 4.44Å; L186-C371 HydrophobicContact CD1-CB 3.84Å; M195-C371 PolarHBondContact O-N 2.72Å; I196-C371 WeakPolarHBondContact CA-O 3.22Å; G197-C371 PolarHBondContact N-O 3.4Å; G197-C371 VanDerWaalsContact N-O 3.09Å; L211-C371 HydrophobicContact CD1-CB 3.91Å; I212-C371 CarbonylContact O-C 3.58Å; I212-C371 VanDerWaalsContact O-CA 3.31Å; I212-C371 WeakPolarHBondContact O-CA 3.32Å; G214-C371 CarbonylContact O-C 3.58Å; G214-C371 VanDerWaalsContact O-C 3.3Å; G214-C371 WeakPolarHBondContact O-CA 3.3Å; R322-C371 PolarHBondContact NH2-O 2.91Å
372T93.8Very high87.2Confident0 Ų043.4 Ų43.40%024%0.244CC..EExtended strand (participates in β ladder)trans-123.2122.9178.8-52.40000109.8G197 K199 I212 G214 V215 A216 R322G197-T372 CarbonylContact O-C 3.6Å; G197-T372 VanDerWaalsContact O-CA 3.31Å; G197-T372 WeakPolarHBondContact O-CA 3.45Å; G197-T372 WeakPolarHBondContact O-CG2 3.2Å; K199-T372 HydrophobicContact CG-CG2 3.78Å; I212-T372 PolarHBondContact N-O 3.17Å; I212-T372 PolarHBondContact O-N 3.09Å; G214-T372 PolarHBondContact O-N 2.87Å; G214-T372 VanDerWaalsContact O-N 3.16Å; G214-T372 PolarHBondContact O-OG1 3.35Å; V215-T372 WeakPolarHBondContact CA-OG1 3.27Å; A216-T372 HydrophobicContact CB-CG2 3.87Å; A216-T372 PolarHBondContact N-OG1 3.45Å; R322-T372 PolarHBondContact NH1-OG1 3.3Å; R322-T372 PolarHBondContact NH2-OG1 2.99Å
373I94.5Very high87Confident0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-91.4121.2174-57.4174.5000107.6L179 A183 I196 G197 I198 K199 L211 L375 I394L179-I373 HydrophobicContact CD2-CB 4.34Å; L179-I373 HydrophobicContact CD2-CD1 3.55Å; L179-I373 HydrophobicContact CD2-CG1 3.68Å; L179-I373 HydrophobicContact CD2-CG2 3.78Å; A183-I373 HydrophobicContact CB-CD1 4.1Å; A183-I373 HydrophobicContact CB-CG1 4.49Å; I196-I373 HydrophobicContact CG2-CD1 3.93Å; I196-I373 HydrophobicContact CG2-CG1 4.24Å; G197-I373 PolarHBondContact O-N 3.32Å; I198-I373 CarbonylContact C-O 3.55Å; I198-I373 WeakPolarHBondContact CA-O 3.45Å; I198-I373 HydrophobicContact CG1-CB 4.37Å; K199-I373 PolarHBondContact N-O 2.73Å; L211-I373 HydrophobicContact CD1-CG1 3.71Å; I373-L375 HydrophobicContact CG2-CD2 3.61Å; I373-L375 HydrophobicContact CG2-CG 4.13Å; I373-I394 HydrophobicContact CD1-CD1 4.05Å
374I94.2Very high86.9Confident0 Ų041 Ų410%023%0.233CC..EExtended strand (participates in β ladder)trans-99.7113.7171.3-58.7-169.1000107.9K199 V201 S209 L210 I212 A216 I354 F359K199-I374 HydrophobicContact CB-CG1 4.39Å; K199-I374 CarbonylContact O-C 3.45Å; K199-I374 WeakPolarHBondContact O-CA 3.46Å; V201-I374 HydrophobicContact CB-CG2 4.47Å; V201-I374 HydrophobicContact CG2-CG2 3.79Å; S209-I374 CarbonylContact C-O 3.3Å; S209-I374 WeakPolarHBondContact CA-O 3.45Å; S209-I374 VanDerWaalsContact CB-O 3.24Å; S209-I374 WeakPolarHBondContact CB-O 3.37Å; L210-I374 HydrophobicContact CD1-CB 3.91Å; L210-I374 HydrophobicContact CD1-CD1 3.99Å; L210-I374 HydrophobicContact CD1-CG1 4Å; L210-I374 HydrophobicContact CG-CB 4.06Å; L210-I374 PolarHBondContact N-O 3.45Å; L210-I374 PolarHBondContact O-N 2.89Å; I212-I374 HydrophobicContact CD1-CD1 3.42Å; I212-I374 VanDerWaalsContact CD1-CD1 3.42Å; I212-I374 HydrophobicContact CD1-CG1 4Å; A216-I374 HydrophobicContact CB-CD1 4.28Å; I354-I374 HydrophobicContact CD1-CD1 3.35Å; I354-I374 HydrophobicContact CD1-CG2 4.4Å; I354-I374 HydrophobicContact CG2-CG2 4.21Å; F359-I374 HydrophobicContact CD1-CD1 4.07Å; F359-I374 HydrophobicContact CE1-CD1 4.45Å; F359-I374 HydrophobicContact CG-CD1 4.23Å
375L94.5Very high87Confident0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-91.8129.2177.5-61.1-179.9000110.7F176 I198 K199 V201 I373 T386 E387 L390F176-L375 HydrophobicContact CE1-CD2 4.1Å; I198-L375 HydrophobicContact CG2-CD1 3.34Å; I198-L375 HydrophobicContact CG2-CG 3.75Å; K199-L375 PolarHBondContact O-N 2.7Å; V201-L375 PolarHBondContact N-O 3.42Å; I373-L375 HydrophobicContact CG2-CD2 3.61Å; I373-L375 HydrophobicContact CG2-CG 4.13Å; L375-T386 HydrophobicContact CD1-CG2 3.99Å; L375-T386 HydrophobicContact CD2-CG2 4.11Å; L375-E387 HydrophobicContact CD1-CB 3.91Å; L375-L390 HydrophobicContact CD1-CD1 4.03Å; L375-L390 HydrophobicContact CD2-CD1 3.36Å; L375-L390 HydrophobicContact CG-CD1 4.28Å
376R92.6Very high87.3Confident36 Ų3638.4 Ų38.414%0.13621%0.21CC..EExtended strand (participates in β ladder)trans-107143.4174-61.6-61.6-65.3-77.4-8109.2G203 A205 L206 D208 S209G203-R376 PolarHBondContact O-NE 2.85Å; G203-R376 PolarHBondContact O-NH2 3.45Å; A205-R376 VanDerWaalsContact O-CB 3.26Å; A205-R376 WeakPolarHBondContact O-CB 3.32Å; L206-R376 WeakPolarHBondContact CA-O 3.43Å; L206-R376 WeakPolarHBondContact CD2-O 2.88Å; D208-R376 HydrophobicContact CB-CB 4.06Å; D208-R376 HydrophobicContact CB-CG 3.96Å; D208-R376 WeakPolarHBondContact O-CG 3.47Å; S209-R376 PolarHBondContact OG-N 2.87Å
377G90.3Very high87.9Confident3 Ų337 Ų373%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-176.9151.1176.800000112.4G203G203-G377 PolarHBondContact N-O 3.47Å
378G88.1Confident88.4Confident66 Ų6633.4 Ų33.468%0.6818%0.176SC*.SBendtrans-69.5-57.4-17900000113
379A87.6Confident89.6Confident40 Ų4033.1 Ų33.133%0.33117%0.174SC..SBendtrans-95.9139.2-177.500000111.8Q381 F382 M383A379-Q381 VanDerWaalsContact C-N 3.33Å; A379-Q381 PolarHBondContact O-N 3.02Å; A379-F382 HydrophobicContact CB-CB 4.39Å; A379-F382 HydrophobicContact CB-CD2 3.97Å; A379-F382 PolarHBondContact O-N 3.4Å; A379-M383 PolarHBondContact O-N 2.82Å; A379-M383 VanDerWaalsContact O-N 3.15Å
380E87.6Confident90.3Very high115 Ų11527.4 Ų27.454%0.53715%0.149SC..Hα-helixtrans-61.9-40.3-179.7-171.9177.6-177.700112.3F382 M383 E384E380-F382 VanDerWaalsContact C-N 3.29Å; E380-F382 PolarHBondContact O-N 3.01Å; E380-M383 HydrophobicContact CB-CE 4.43Å; E380-M383 WeakPolarHBondContact O-CB 3.48Å; E380-M383 PolarHBondContact O-N 3.16Å; E380-M383 VanDerWaalsContact O-N 3.08Å; E380-E384 PolarHBondContact O-N 2.73Å
381Q86.1Confident90.4Very high72 Ų7230.7 Ų30.734%0.33616%0.164SC..Hα-helixtrans-61-39.4178.5-60.781.21.100111.6I59 A379 E384 E385I59-Q381 HydrophobicContact CD1-CB 4.43Å; A379-Q381 VanDerWaalsContact C-N 3.33Å; A379-Q381 PolarHBondContact O-N 3.02Å; Q381-E384 PolarHBondContact O-N 2.67Å; Q381-E385 PolarHBondContact O-N 3.01Å
382F86.5Confident90.3Very high92 Ų9230.9 Ų30.940%0.40417%0.165SC..Hα-helixtrans-68-37175.8-87.6-98000111.7L168 A379 E380 T386L168-F382 HydrophobicContact CD1-CD1 4.08Å; L168-F382 HydrophobicContact CD1-CE1 4.01Å; L168-F382 HydrophobicContact CD1-CZ 4.47Å; L168-F382 HydrophobicContact CD2-CE1 4.18Å; A379-F382 HydrophobicContact CB-CB 4.39Å; A379-F382 HydrophobicContact CB-CD2 3.97Å; A379-F382 PolarHBondContact O-N 3.4Å; E380-F382 VanDerWaalsContact C-N 3.29Å; E380-F382 PolarHBondContact O-N 3.01Å; F382-T386 VanDerWaalsContact O-CB 3.29Å; F382-T386 WeakPolarHBondContact O-CB 3.4Å; F382-T386 PolarHBondContact O-N 3.12Å; F382-T386 PolarHBondContact O-OG1 2.85Å
383M89.6Confident90.2Very high5 Ų530.9 Ų30.93%0.02517%0.165CC..Hα-helixtrans-68.9-40.6175.2-69.6-171.7-70.800112.1K200 A379 E380 T386 E387K200-M383 HydrophobicContact CB-SD 4.26Å; K200-M383 HydrophobicContact CD-CB 4.06Å; K200-M383 HydrophobicContact CG-CB 4.3Å; A379-M383 PolarHBondContact O-N 2.82Å; A379-M383 VanDerWaalsContact O-N 3.15Å; E380-M383 HydrophobicContact CB-CE 4.43Å; E380-M383 WeakPolarHBondContact O-CB 3.48Å; E380-M383 PolarHBondContact O-N 3.16Å; E380-M383 VanDerWaalsContact O-N 3.08Å; M383-T386 PolarHBondContact O-N 2.83Å; M383-E387 WeakPolarHBondContact O-CB 3.3Å; M383-E387 PolarHBondContact O-N 2.95Å
384E88.3Confident90.2Very high28 Ų2831 Ų3113%0.13117%0.166CC..Hα-helixtrans-60.1-45.2174.2-73.2-170.8158.600111.2K56 E380 Q381 E387 R388K56-E384 IonicContact NZ-OE1 2.79Å; K56-E384 PolarHBondContact NZ-OE1 3.2Å; K56-E384 IonicContact NZ-OE2 2.61Å; E380-E384 PolarHBondContact O-N 2.73Å; Q381-E384 PolarHBondContact O-N 2.67Å; E384-E387 PolarHBondContact O-N 2.85Å; E384-R388 PolarHBondContact O-N 3.23Å; E384-R388 VanDerWaalsContact O-N 3.12Å
385E87.3Confident90Very high1 Ų131.3 Ų31.31%0.00517%0.167CC..Hα-helixtrans-71.2-33177.5-175.162.7-175.100112.4S60 N61 L168 Q381 R388 S389S60-E385 WeakPolarHBondContact CA-OE2 3.48Å; S60-E385 WeakPolarHBondContact CB-OE2 2.94Å; S60-E385 PolarHBondContact OG-OE2 3.42Å; N61-E385 PolarHBondContact N-OE1 2.92Å; L168-E385 HydrophobicContact CB-CG 4.26Å; L168-E385 HydrophobicContact CD1-CB 3.96Å; L168-E385 HydrophobicContact CD1-CG 3.71Å; L168-E385 HydrophobicContact CG-CG 4.09Å; Q381-E385 PolarHBondContact O-N 3.01Å; E385-R388 PolarHBondContact O-N 2.75Å; E385-R388 IonicContact OE2-CZ 3.89Å; E385-R388 IonicContact OE2-NH1 2.96Å; E385-R388 PolarHBondContact OE2-NH1 2.88Å; E385-S389 VanDerWaalsContact O-CB 3.28Å; E385-S389 WeakPolarHBondContact O-CB 3.31Å; E385-S389 PolarHBondContact O-N 2.69Å; E385-S389 PolarHBondContact O-OG 2.83Å
386T91.5Very high89.8Confident0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-64.4-46.4173.7-62.20000111.1V169 F176 L206 L375 F382 M383 R388 S389 L390V169-T386 HydrophobicContact CG1-CG2 3.82Å; V169-T386 WeakPolarHBondContact CG1-OG1 3.2Å; F176-T386 HydrophobicContact CE1-CG2 4.34Å; F176-T386 HydrophobicContact CE2-CG2 4.49Å; F176-T386 HydrophobicContact CZ-CG2 3.98Å; L206-T386 HydrophobicContact CD2-CG2 4.15Å; L375-T386 HydrophobicContact CD1-CG2 3.99Å; L375-T386 HydrophobicContact CD2-CG2 4.11Å; F382-T386 VanDerWaalsContact O-CB 3.29Å; F382-T386 WeakPolarHBondContact O-CB 3.4Å; F382-T386 PolarHBondContact O-N 3.12Å; F382-T386 PolarHBondContact O-OG1 2.85Å; M383-T386 PolarHBondContact O-N 2.83Å; T386-R388 VanDerWaalsContact C-N 3.32Å; T386-R388 PolarHBondContact O-N 2.94Å; T386-S389 WeakPolarHBondContact O-CB 3.29Å; T386-S389 PolarHBondContact O-N 2.83Å; T386-L390 HydrophobicContact CG2-CD1 4Å; T386-L390 HydrophobicContact CG2-CG 4.4Å; T386-L390 WeakPolarHBondContact O-CB 3.39Å; T386-L390 VanDerWaalsContact O-CG 3.27Å; T386-L390 WeakPolarHBondContact O-CG 3.44Å; T386-L390 PolarHBondContact O-N 3.38Å
387E91.7Very high89.7Confident57 Ų5729.7 Ų29.727%0.26616%0.161SC..Hα-helixtrans-55.7-47.6175.2172176.3-152.700111.2I198 K200 L375 M383 E384 L390 H391I198-E387 HydrophobicContact CB-CG 4.37Å; I198-E387 HydrophobicContact CD1-CG 4.19Å; I198-E387 HydrophobicContact CG2-CB 4.26Å; I198-E387 HydrophobicContact CG2-CG 3.94Å; K200-E387 VanDerWaalsContact CD-OE2 3.3Å; K200-E387 WeakPolarHBondContact CD-OE2 3.09Å; K200-E387 WeakPolarHBondContact CE-OE2 3.22Å; K200-E387 IonicContact NZ-OE2 2.64Å; K200-E387 PolarHBondContact NZ-OE2 2.94Å; L375-E387 HydrophobicContact CD1-CB 3.91Å; M383-E387 WeakPolarHBondContact O-CB 3.3Å; M383-E387 PolarHBondContact O-N 2.95Å; E384-E387 PolarHBondContact O-N 2.85Å; E387-L390 PolarHBondContact O-N 3.01Å; E387-H391 WeakPolarHBondContact O-CB 3.24Å; E387-H391 PolarHBondContact O-N 2.87Å
388R88Confident89.8Confident55 Ų5531.4 Ų31.421%0.20817%0.166CC..Hα-helixtrans-61.7-48.1176.5-173.3-179.5-66.8129.3-0.6111.9S60 T65 E384 E385 T386 L390 H391 D392S60-R388 PolarHBondContact OG-NH1 2.84Å; S60-R388 VanDerWaalsContact OG-NH1 3.12Å; T65-R388 VanDerWaalsContact CG2-NH2 3.35Å; T65-R388 VanDerWaalsContact OG1-CD 3.24Å; T65-R388 WeakPolarHBondContact OG1-CD 3.39Å; T65-R388 PolarHBondContact OG1-NE 3.19Å; E384-R388 PolarHBondContact O-N 3.23Å; E384-R388 VanDerWaalsContact O-N 3.12Å; E385-R388 PolarHBondContact O-N 2.75Å; E385-R388 IonicContact OE2-CZ 3.89Å; E385-R388 IonicContact OE2-NH1 2.96Å; E385-R388 PolarHBondContact OE2-NH1 2.88Å; T386-R388 VanDerWaalsContact C-N 3.32Å; T386-R388 PolarHBondContact O-N 2.94Å; R388-L390 VanDerWaalsContact C-N 3.27Å; R388-L390 PolarHBondContact O-N 3.15Å; R388-H391 WeakPolarHBondContact O-CB 3.27Å; R388-H391 PolarHBondContact O-N 3.38Å; R388-H391 VanDerWaalsContact O-N 3.13Å; R388-D392 VanDerWaalsContact O-CG 3.3Å; R388-D392 PolarHBondContact O-N 2.95Å; R388-D392 VanDerWaalsContact O-N 3.1Å
389S90.8Very high89.7Confident1 Ų131.2 Ų31.21%0.00715%0.145CC..Hα-helixtrans-56.8-42.1178.7-62.30000112.5L164 K167 E385 T386 A393L164-S389 WeakPolarHBondContact CD2-O 3.45Å; K167-S389 WeakPolarHBondContact CB-OG 3.31Å; K167-S389 VanDerWaalsContact CD-CB 3.45Å; K167-S389 VanDerWaalsContact CD-OG 3.22Å; K167-S389 WeakPolarHBondContact CD-OG 3.5Å; E385-S389 VanDerWaalsContact O-CB 3.28Å; E385-S389 WeakPolarHBondContact O-CB 3.31Å; E385-S389 PolarHBondContact O-N 2.69Å; E385-S389 PolarHBondContact O-OG 2.83Å; T386-S389 WeakPolarHBondContact O-CB 3.29Å; T386-S389 PolarHBondContact O-N 2.83Å; S389-A393 PolarHBondContact O-N 3.11Å; S389-A393 VanDerWaalsContact O-N 3.15Å
390L92.7Very high89.7Confident0 Ų029.4 Ų29.40%013%0.131CC..Hα-helixtrans-71.8-38.8177.7-68.8175000112.3L164 F176 V180 L375 T386 E387 R388 D392 A393 I394L164-L390 HydrophobicContact CD2-CD2 4.47Å; F176-L390 HydrophobicContact CB-CD2 3.79Å; F176-L390 HydrophobicContact CD1-CD1 3.99Å; F176-L390 HydrophobicContact CD1-CD2 3.59Å; F176-L390 HydrophobicContact CD1-CG 4.33Å; F176-L390 HydrophobicContact CE1-CD1 4.03Å; F176-L390 HydrophobicContact CE1-CD2 4.4Å; F176-L390 HydrophobicContact CG-CD2 3.86Å; V180-L390 HydrophobicContact CG2-CD2 3.59Å; L375-L390 HydrophobicContact CD1-CD1 4.03Å; L375-L390 HydrophobicContact CD2-CD1 3.36Å; L375-L390 HydrophobicContact CG-CD1 4.28Å; T386-L390 HydrophobicContact CG2-CD1 4Å; T386-L390 HydrophobicContact CG2-CG 4.4Å; T386-L390 WeakPolarHBondContact O-CB 3.39Å; T386-L390 VanDerWaalsContact O-CG 3.27Å; T386-L390 WeakPolarHBondContact O-CG 3.44Å; T386-L390 PolarHBondContact O-N 3.38Å; E387-L390 PolarHBondContact O-N 3.01Å; R388-L390 VanDerWaalsContact C-N 3.27Å; R388-L390 PolarHBondContact O-N 3.15Å; L390-D392 VanDerWaalsContact C-N 3.29Å; L390-D392 PolarHBondContact O-N 3.37Å; L390-A393 PolarHBondContact O-N 2.73Å; L390-I394 VanDerWaalsContact O-CB 3.31Å; L390-I394 WeakPolarHBondContact O-CB 3.27Å; L390-I394 WeakPolarHBondContact O-CD1 3.36Å; L390-I394 WeakPolarHBondContact O-CG1 3.29Å; L390-I394 PolarHBondContact O-N 3.49Å
391H90.9Very high89.7Confident73 Ų7325.9 Ų25.934%0.33812%0.117SC..Hα-helixtrans-55.8-47.5175.1177.1-101000111.3E387 R388 I394 M395E387-H391 WeakPolarHBondContact O-CB 3.24Å; E387-H391 PolarHBondContact O-N 2.87Å; R388-H391 WeakPolarHBondContact O-CB 3.27Å; R388-H391 PolarHBondContact O-N 3.38Å; R388-H391 VanDerWaalsContact O-N 3.13Å; H391-I394 WeakPolarHBondContact O-CB 3.37Å; H391-I394 PolarHBondContact O-N 3.28Å; H391-M395 WeakPolarHBondContact CE1-CE 3.45Å; H391-M395 WeakPolarHBondContact ND1-CE 3.3Å; H391-M395 WeakPolarHBondContact O-CG 3.38Å; H391-M395 PolarHBondContact O-N 3Å
392D89.9Confident89.6Confident4 Ų427.6 Ų27.62%0.02112%0.123CC..Hα-helixtrans-63.2-45.3177.5-61.3-9.2000111.8G92 K167 R388 L390 I394 M395 V396G92-D392 WeakPolarHBondContact O-CB 3.4Å; K167-D392 VanDerWaalsContact NZ-CG 3.31Å; K167-D392 IonicContact NZ-OD2 2.95Å; K167-D392 PolarHBondContact NZ-OD2 2.96Å; R388-D392 VanDerWaalsContact O-CG 3.3Å; R388-D392 PolarHBondContact O-N 2.95Å; R388-D392 VanDerWaalsContact O-N 3.1Å; L390-D392 VanDerWaalsContact C-N 3.29Å; L390-D392 PolarHBondContact O-N 3.37Å; D392-I394 VanDerWaalsContact C-N 3.33Å; D392-I394 PolarHBondContact O-N 3.12Å; D392-M395 PolarHBondContact O-N 2.83Å; D392-M395 VanDerWaalsContact O-N 3.1Å; D392-V396 WeakPolarHBondContact O-CG2 3.31Å; D392-V396 PolarHBondContact O-N 2.99Å
393A92.1Very high89.4Confident0 Ų025.4 Ų25.40%012%0.116CC..Hα-helixtrans-62.6-40.2177.200000112A163 L164 V180 S389 L390 M395 V396 V397A163-A393 HydrophobicContact CB-CB 4.44Å; L164-A393 HydrophobicContact CD1-CB 4.36Å; L164-A393 HydrophobicContact CD2-CB 3.7Å; L164-A393 HydrophobicContact CG-CB 3.87Å; V180-A393 HydrophobicContact CG1-CB 4.24Å; V180-A393 HydrophobicContact CG2-CB 4.19Å; S389-A393 PolarHBondContact O-N 3.11Å; S389-A393 VanDerWaalsContact O-N 3.15Å; L390-A393 PolarHBondContact O-N 2.73Å; A393-M395 VanDerWaalsContact C-N 3.32Å; A393-M395 PolarHBondContact O-N 3.46Å; A393-V396 PolarHBondContact O-N 3.43Å; A393-V397 WeakPolarHBondContact O-CB 3.28Å; A393-V397 VanDerWaalsContact O-CG2 3.3Å; A393-V397 WeakPolarHBondContact O-CG2 3.31Å; A393-V397 PolarHBondContact O-N 2.86Å
394I93.3Very high89.1Confident4 Ų428 Ų282%0.02113%0.129CC..Hα-helixtrans-59.7-44.1172.6-74.3163.5000110.1V180 V184 L193 I196 I198 I373 L390 H391 D392 R398V180-I394 HydrophobicContact CB-CG1 4.48Å; V180-I394 HydrophobicContact CG1-CB 4.43Å; V180-I394 HydrophobicContact CG1-CG1 3.8Å; V180-I394 HydrophobicContact CG2-CG1 4.2Å; V184-I394 HydrophobicContact CG2-CG2 4.16Å; L193-I394 HydrophobicContact CD2-CG2 3.82Å; I196-I394 HydrophobicContact CD1-CB 4.49Å; I196-I394 HydrophobicContact CD1-CD1 4.03Å; I196-I394 HydrophobicContact CD1-CG1 4.25Å; I196-I394 HydrophobicContact CD1-CG2 3.42Å; I196-I394 VanDerWaalsContact CD1-CG2 3.42Å; I196-I394 HydrophobicContact CG2-CD1 4.14Å; I198-I394 HydrophobicContact CD1-CD1 4.47Å; I373-I394 HydrophobicContact CD1-CD1 4.05Å; L390-I394 VanDerWaalsContact O-CB 3.31Å; L390-I394 WeakPolarHBondContact O-CB 3.27Å; L390-I394 WeakPolarHBondContact O-CD1 3.36Å; L390-I394 WeakPolarHBondContact O-CG1 3.29Å; L390-I394 PolarHBondContact O-N 3.49Å; H391-I394 WeakPolarHBondContact O-CB 3.37Å; H391-I394 PolarHBondContact O-N 3.28Å; D392-I394 VanDerWaalsContact C-N 3.33Å; D392-I394 PolarHBondContact O-N 3.12Å; I394-R398 WeakPolarHBondContact O-CB 3.47Å; I394-R398 PolarHBondContact O-N 3.03Å
395M91Very high89.1Confident5 Ų527.1 Ų27.13%0.02513%0.127CC..Hα-helixtrans-64.1-45.7178.2-68.9-146.1-83.900111.4D88 V91 G92 L193 H391 D392 A393 V397 R398 R399D88-M395 WeakPolarHBondContact O-CE 3.31Å; V91-M395 VanDerWaalsContact O-CB 3.3Å; V91-M395 WeakPolarHBondContact O-CB 3.5Å; G92-M395 VanDerWaalsContact CA-CE 3.45Å; L193-M395 HydrophobicContact CD1-CG 4.13Å; L193-M395 HydrophobicContact CD1-SD 3.77Å; L193-M395 HydrophobicContact CD2-CG 4.1Å; H391-M395 WeakPolarHBondContact CE1-CE 3.45Å; H391-M395 WeakPolarHBondContact ND1-CE 3.3Å; H391-M395 WeakPolarHBondContact O-CG 3.38Å; H391-M395 PolarHBondContact O-N 3Å; D392-M395 PolarHBondContact O-N 2.83Å; D392-M395 VanDerWaalsContact O-N 3.1Å; A393-M395 VanDerWaalsContact C-N 3.32Å; A393-M395 PolarHBondContact O-N 3.46Å; M395-V397 PolarHBondContact O-N 2.85Å; M395-R398 WeakPolarHBondContact O-CB 3.25Å; M395-R398 PolarHBondContact O-N 3.43Å; M395-R399 VanDerWaalsContact O-CG 3.28Å; M395-R399 WeakPolarHBondContact O-CG 3.48Å; M395-R399 PolarHBondContact O-N 3.18Å
396V90.3Very high89.3Confident2 Ų227.1 Ų27.11%0.01213%0.127CC..Hα-helixtrans-58.4-50175.8172.30000111.3D93 C159 A163 D392 A393 R398 R399 A400 P496D93-V396 HydrophobicContact CB-CG2 3.52Å; C159-V396 HydrophobicContact CB-CG1 4.48Å; A163-V396 HydrophobicContact CB-CB 4.32Å; A163-V396 HydrophobicContact CB-CG1 4.4Å; A163-V396 HydrophobicContact CB-CG2 4.09Å; D392-V396 WeakPolarHBondContact O-CG2 3.31Å; D392-V396 PolarHBondContact O-N 2.99Å; A393-V396 PolarHBondContact O-N 3.43Å; V396-R398 PolarHBondContact O-N 3.08Å; V396-R399 PolarHBondContact O-N 3.34Å; V396-A400 WeakPolarHBondContact O-CB 3.48Å; V396-A400 PolarHBondContact O-N 3.47Å; V396-P496 HydrophobicContact CG1-CG 3.96Å
397V91.3Very high89.4Confident0 Ų027.2 Ų27.20%013%0.128CC..Hα-helixtrans-62.7-43.2178.7172.70000111L156 A160 V180 V181 V184 A393 M395 R399 A400 V401L156-V397 HydrophobicContact CB-CG1 4.3Å; L156-V397 HydrophobicContact CD1-CG1 4.49Å; L156-V397 HydrophobicContact CD2-CG1 4.16Å; A160-V397 HydrophobicContact CB-CG2 3.65Å; V180-V397 HydrophobicContact CG1-CB 4.25Å; V180-V397 HydrophobicContact CG1-CG2 3.88Å; V181-V397 HydrophobicContact CG2-CG1 4.35Å; V181-V397 HydrophobicContact CG2-CG2 4.41Å; V184-V397 HydrophobicContact CB-CG1 3.92Å; V184-V397 HydrophobicContact CG1-CG1 4Å; V184-V397 HydrophobicContact CG2-CB 4.28Å; V184-V397 HydrophobicContact CG2-CG1 3.92Å; A393-V397 WeakPolarHBondContact O-CB 3.28Å; A393-V397 VanDerWaalsContact O-CG2 3.3Å; A393-V397 WeakPolarHBondContact O-CG2 3.31Å; A393-V397 PolarHBondContact O-N 2.86Å; M395-V397 PolarHBondContact O-N 2.85Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 2.71Å; V397-A400 WeakPolarHBondContact O-CB 3.36Å; V397-A400 PolarHBondContact O-N 3.29Å; V397-V401 WeakPolarHBondContact O-CG2 3.44Å; V397-V401 PolarHBondContact O-N 2.67Å
398R90.3Very high89.4Confident39 Ų3924.6 Ų24.615%0.14712%0.116CC..Hα-helixtrans-58.9-39.5175.7172.6-178.6176.7-1272.8112.3L191 I394 M395 V396L191-R398 HydrophobicContact CB-CG 3.82Å; L191-R398 HydrophobicContact CD1-CB 4.45Å; L191-R398 HydrophobicContact CD1-CG 3.89Å; L191-R398 PolarHBondContact O-NE 2.89Å; L191-R398 PolarHBondContact O-NH2 2.92Å; I394-R398 WeakPolarHBondContact O-CB 3.47Å; I394-R398 PolarHBondContact O-N 3.03Å; M395-R398 WeakPolarHBondContact O-CB 3.25Å; M395-R398 PolarHBondContact O-N 3.43Å; V396-R398 PolarHBondContact O-N 3.08Å
399R87.7Confident89.6Confident62 Ų6222 Ų2223%0.23411%0.106CC..Hα-helixtrans-72.3-39.7175.9-64.5-58.5-179.6-177.9-0.2111.4E90 M395 V396 V397 V401 K402 N403 L498E90-R399 PolarHBondContact O-NE 3.43Å; E90-R399 PolarHBondContact O-NH2 3.43Å; M395-R399 VanDerWaalsContact O-CG 3.28Å; M395-R399 WeakPolarHBondContact O-CG 3.48Å; M395-R399 PolarHBondContact O-N 3.18Å; V396-R399 PolarHBondContact O-N 3.34Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 2.71Å; R399-V401 VanDerWaalsContact C-N 3.29Å; R399-V401 PolarHBondContact O-N 2.89Å; R399-K402 PolarHBondContact O-N 3.01Å; R399-K402 VanDerWaalsContact O-N 3.1Å; R399-N403 WeakPolarHBondContact O-CB 3.35Å; R399-N403 PolarHBondContact O-N 3.29Å; R399-L498 HydrophobicContact CB-CD2 4.22Å; R399-L498 HydrophobicContact CG-CD2 4.24Å
400A87.8Confident89.6Confident3 Ų322.7 Ų22.73%0.02511%0.113CC..Hα-helixtrans-63.7-30.1175.100000113.3L156 V396 V397 K402 N403 F406 P496L156-A400 HydrophobicContact CD2-CB 3.65Å; V396-A400 WeakPolarHBondContact O-CB 3.48Å; V396-A400 PolarHBondContact O-N 3.47Å; V397-A400 WeakPolarHBondContact O-CB 3.36Å; V397-A400 PolarHBondContact O-N 3.29Å; A400-K402 VanDerWaalsContact C-N 3.34Å; A400-N403 CarbonylContact C-O 3.55Å; A400-F406 HydrophobicContact CB-CE1 3.82Å; A400-F406 HydrophobicContact CB-CZ 3.94Å; A400-P496 HydrophobicContact CB-CG 4.11Å
401V86.8Confident89.7Confident41 Ų4122.8 Ų22.825%0.24811%0.114CC..Hα-helixtrans-68.8-35.8172.4172.50000111.3Q146 L156 V184 L191 V397 R399Q146-V401 PolarHBondContact NE2-O 3.37Å; L156-V401 HydrophobicContact CD1-CG2 3.73Å; L156-V401 HydrophobicContact CD2-CG2 3.88Å; L156-V401 HydrophobicContact CG-CG2 4.48Å; V184-V401 HydrophobicContact CG1-CG2 4.24Å; L191-V401 HydrophobicContact CD1-CB 4Å; L191-V401 HydrophobicContact CD1-CG1 3.88Å; V397-V401 WeakPolarHBondContact O-CG2 3.44Å; V397-V401 PolarHBondContact O-N 2.67Å; R399-V401 VanDerWaalsContact C-N 3.29Å; R399-V401 PolarHBondContact O-N 2.89Å
402K84.6Confident89.9Confident108 Ų10819.3 Ų19.347%0.4710%0.098SC..Hα-helixtrans-84.3-25.4-179-67.4-173.3-179.1-171.90113.7Y190 L191 R399 A400Y190-K402 PolarHBondContact O-NZ 2.72Å; L191-K402 HydrophobicContact CD1-CG 4.44Å; R399-K402 PolarHBondContact O-N 3.01Å; R399-K402 VanDerWaalsContact O-N 3.1Å; A400-K402 VanDerWaalsContact C-N 3.34Å
403N82.4Confident90.1Very high46 Ų4619.3 Ų19.325%0.24610%0.099CC..  trans-125.3121.9-176.6-168.1-9.2000109.7R399 A400 A405R399-N403 WeakPolarHBondContact O-CB 3.35Å; R399-N403 PolarHBondContact O-N 3.29Å; A400-N403 CarbonylContact C-O 3.55Å; N403-A405 VanDerWaalsContact C-N 3.33Å; N403-A405 WeakPolarHBondContact OD1-CB 3.37Å; N403-A405 PolarHBondContact OD1-N 2.87Å
404D82.3Confident90.3Very high58 Ų5819.7 Ų19.731%0.3110%0.1SC..  trans-87.1-0.7-175.264.5-25.4000113.7R143 I144 F406R143-D404 WeakPolarHBondContact CA-O 3.35Å; I144-D404 PolarHBondContact N-O 2.86Å; D404-F406 WeakPolarHBondContact O-CD2 3.31Å; D404-F406 WeakPolarHBondContact O-CE2 3.29Å
405A89.6Confident90.4Very high10 Ų1019.6 Ų19.68%0.08310%0.1CC..EExtended strand (participates in β ladder)trans-91.5121.1-178.400000112.8A141 R143 N403 A497A141-A405 HydrophobicContact CB-CB 4.09Å; R143-A405 HydrophobicContact CG-CB 4.35Å; N403-A405 VanDerWaalsContact C-N 3.33Å; N403-A405 WeakPolarHBondContact OD1-CB 3.37Å; N403-A405 PolarHBondContact OD1-N 2.87Å; A405-A497 HydrophobicContact CB-CB 3.89Å; A405-A497 WeakPolarHBondContact O-CB 3.49Å; A405-A497 PolarHBondContact O-N 2.81Å
406F90.2Very high90.7Very high2 Ų220 Ų201%0.00910%0.102CC..EExtended strand (participates in β ladder)trans-123.5151.5-179.9-60.9-89.6000111.9A141 C142 I144 L155 C159 A400 D404 E495 P496A141-F406 WeakPolarHBondContact CA-O 3.35Å; C142-F406 PolarHBondContact N-O 3.47Å; C142-F406 PolarHBondContact O-N 3.16Å; I144-F406 HydrophobicContact CD1-CD2 3.79Å; I144-F406 HydrophobicContact CD1-CE2 4.38Å; I144-F406 HydrophobicContact CD1-CG 4.38Å; I144-F406 HydrophobicContact CG1-CD2 4.48Å; L155-F406 HydrophobicContact CD1-CD1 4.11Å; L155-F406 HydrophobicContact CD1-CD2 4.31Å; L155-F406 HydrophobicContact CD1-CE1 3.93Å; L155-F406 HydrophobicContact CD1-CE2 4.15Å; L155-F406 HydrophobicContact CD1-CG 4.3Å; L155-F406 HydrophobicContact CD1-CZ 3.96Å; L155-F406 HydrophobicContact CD2-CD2 4.32Å; L155-F406 HydrophobicContact CD2-CE2 3.64Å; L155-F406 HydrophobicContact CD2-CZ 3.79Å; L155-F406 HydrophobicContact CG-CE1 4.39Å; L155-F406 HydrophobicContact CG-CE2 4.28Å; L155-F406 HydrophobicContact CG-CZ 4.02Å; C159-F406 WeakPolarHBondContact SG-CE1 3.27Å; A400-F406 HydrophobicContact CB-CE1 3.82Å; A400-F406 HydrophobicContact CB-CZ 3.94Å; D404-F406 WeakPolarHBondContact O-CD2 3.31Å; D404-F406 WeakPolarHBondContact O-CE2 3.29Å; F406-E495 WeakPolarHBondContact CA-O 3.46Å; F406-P496 HydrophobicContact CE1-CG 4.41Å
407V92.9Very high91Very high2 Ų220.1 Ų20.11%0.01210%0.102CC..EExtended strand (participates in β ladder)trans-132.6159.5175.2-66.40000110.4L137 I140 A141 E495 A497 K500L137-V407 HydrophobicContact CD1-CG1 3.92Å; I140-V407 HydrophobicContact CG1-CG1 4.45Å; A141-V407 HydrophobicContact CB-CG1 4.13Å; V407-E495 PolarHBondContact N-O 2.91Å; V407-E495 PolarHBondContact O-N 2.89Å; V407-A497 HydrophobicContact CG1-CB 4.17Å; V407-K500 HydrophobicContact CG2-CG 3.89Å
408A92.9Very high91.2Very high2 Ų220.1 Ų20.12%0.01710%0.102CC..EExtended strand (participates in β ladder)trans-71.3128.9173.300000110.6A412 W475 N488 F489A408-A412 HydrophobicContact CB-CB 3.85Å; A408-W475 HydrophobicContact CB-CB 3.81Å; A408-W475 HydrophobicContact CB-CG 4.01Å; A408-N488 HydrophobicContact CB-CB 4.23Å; A408-F489 HydrophobicContact CB-CB 4.25Å
409G92.2Very high91.4Very high0 Ų019.4 Ų19.40%011%0.107CC..THydrogen-bonded Turntrans-82.5-164.2175.700000113.5G411 A412 N488 V493 E495G409-G411 PolarHBondContact O-N 2.88Å; G409-A412 WeakPolarHBondContact O-CB 3.29Å; G409-A412 PolarHBondContact O-N 3.45Å; G409-N488 PolarHBondContact O-ND2 2.97Å; G409-V493 PolarHBondContact N-O 3.41Å; G409-E495 WeakPolarHBondContact CA-OE1 3.47Å
410G90.9Very high91.8Very high16 Ų1619 Ų1917%0.16511%0.106CC..THydrogen-bonded Turntrans66.133.2174.400000114.5A412 V478G410-A412 VanDerWaalsContact C-N 3.33Å; G410-A412 PolarHBondContact O-N 2.87Å; G410-V478 PolarHBondContact O-N 3.47Å
411G93.5Very high92.2Very high1 Ų118.9 Ų18.91%0.0111%0.105CC..THydrogen-bonded Turntrans84.2-2.5178.800000115.3G409 E414 M415G409-G411 PolarHBondContact O-N 2.88Å; G411-E414 VanDerWaalsContact CA-OE2 3.25Å; G411-E414 WeakPolarHBondContact CA-OE2 3.41Å; G411-E414 PolarHBondContact O-N 3.23Å; G411-M415 WeakPolarHBondContact O-CB 3.48Å; G411-M415 VanDerWaalsContact O-CG 3.29Å; G411-M415 WeakPolarHBondContact O-CG 3.33Å; G411-M415 PolarHBondContact O-N 2.69Å
412A95.1Very high92.6Very high0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-64-48.7-179.300000112A408 G409 G410 E414 M415 E416 H469 Y476A408-A412 HydrophobicContact CB-CB 3.85Å; G409-A412 WeakPolarHBondContact O-CB 3.29Å; G409-A412 PolarHBondContact O-N 3.45Å; G410-A412 VanDerWaalsContact C-N 3.33Å; G410-A412 PolarHBondContact O-N 2.87Å; A412-E414 PolarHBondContact O-N 3.03Å; A412-M415 PolarHBondContact O-N 2.77Å; A412-E416 PolarHBondContact O-N 2.9Å; A412-H469 PolarHBondContact O-CE1 3.44Å; A412-H469 VanDerWaalsContact O-CE1 3.26Å; A412-Y476 WeakPolarHBondContact CA-O 3.31Å; A412-Y476 VanDerWaalsContact CB-O 3.27Å; A412-Y476 WeakPolarHBondContact CB-O 3.29Å
413A95.1Very high93Very high5 Ų521.4 Ų21.44%0.04111%0.111CC..Hα-helixtrans-59.4-45.3177.100000111.6M415 E416 L417A413-M415 PolarHBondContact O-N 3.09Å; A413-E416 PolarHBondContact O-N 2.88Å; A413-L417 WeakPolarHBondContact O-CG 3.5Å; A413-L417 PolarHBondContact O-N 3.22Å
414E96Very high93.6Very high7 Ų721.6 Ų21.63%0.03311%0.11CC..Hα-helixtrans-64.6-38.7179.5-66.783.1174.600112.6G411 A412 L417 S418 F443 I446 K500G411-E414 VanDerWaalsContact CA-OE2 3.25Å; G411-E414 WeakPolarHBondContact CA-OE2 3.41Å; G411-E414 PolarHBondContact O-N 3.23Å; A412-E414 PolarHBondContact O-N 3.03Å; E414-L417 PolarHBondContact O-N 2.84Å; E414-S418 WeakPolarHBondContact O-CB 3Å; E414-S418 PolarHBondContact O-N 3.09Å; E414-F443 HydrophobicContact CB-CB 4.32Å; E414-F443 WeakPolarHBondContact CB-O 3.49Å; E414-F443 HydrophobicContact CG-CD1 4.42Å; E414-I446 HydrophobicContact CG-CB 4.07Å; E414-I446 HydrophobicContact CG-CG1 4.09Å; E414-I446 HydrophobicContact CG-CG2 4.36Å; E414-K500 VanDerWaalsContact OE1-CE 3.25Å; E414-K500 WeakPolarHBondContact OE1-CE 3.41Å; E414-K500 IonicContact OE1-NZ 2.68Å; E414-K500 PolarHBondContact OE1-NZ 3.38Å; E414-K500 IonicContact OE2-NZ 3.26Å
415M96.2Very high94.1Very high3 Ų318.8 Ų18.82%0.01510%0.095CC..Hα-helixtrans-65.7-40.9174.8-76.8-51.8-53.300112.3G411 A412 A413 S418 G419 E444 P447 L462 L465 R466 H469G411-M415 WeakPolarHBondContact O-CB 3.48Å; G411-M415 VanDerWaalsContact O-CG 3.29Å; G411-M415 WeakPolarHBondContact O-CG 3.33Å; G411-M415 PolarHBondContact O-N 2.69Å; A412-M415 PolarHBondContact O-N 2.77Å; A413-M415 PolarHBondContact O-N 3.09Å; M415-S418 WeakPolarHBondContact O-CB 3.43Å; M415-S418 PolarHBondContact O-N 3.16Å; M415-G419 PolarHBondContact O-N 2.92Å; M415-E444 HydrophobicContact CE-CG 4.42Å; M415-E444 HydrophobicContact SD-CB 4.43Å; M415-E444 HydrophobicContact SD-CG 3.96Å; M415-P447 HydrophobicContact CG-CB 4.4Å; M415-P447 HydrophobicContact CG-CG 3.9Å; M415-P447 HydrophobicContact SD-CB 4.49Å; M415-P447 HydrophobicContact SD-CG 3.66Å; M415-L462 HydrophobicContact SD-CD2 4Å; M415-L465 HydrophobicContact CE-CB 4.16Å; M415-L465 HydrophobicContact CG-CB 4.2Å; M415-L465 HydrophobicContact CG-CD1 4.11Å; M415-R466 HydrophobicContact CE-CB 4.44Å; M415-R466 HydrophobicContact CE-CG 3.51Å; M415-H469 WeakPolarHBondContact CB-NE2 3.19Å
416E96.1Very high94.3Very high14 Ų1424.4 Ų24.47%0.06512%0.123CC..Hα-helixtrans-65.2-42.7176.4-177.554-153.500111.7R136 I140 A412 A413 G419 Y420 H469 I474R136-E416 IonicContact CZ-OE1 3.96Å; R136-E416 IonicContact NE-OE1 2.8Å; R136-E416 PolarHBondContact NE-OE1 2.95Å; R136-E416 IonicContact NH2-OE1 2.73Å; R136-E416 PolarHBondContact NH2-OE1 3.17Å; I140-E416 HydrophobicContact CD1-CB 4.47Å; I140-E416 HydrophobicContact CD1-CG 4.13Å; I140-E416 HydrophobicContact CG2-CG 4.31Å; A412-E416 PolarHBondContact O-N 2.9Å; A413-E416 PolarHBondContact O-N 2.88Å; E416-G419 PolarHBondContact O-N 2.92Å; E416-Y420 WeakPolarHBondContact O-CB 3.33Å; E416-Y420 PolarHBondContact O-N 3.32Å; E416-H469 IonicContact OE2-CE1 3.15Å; E416-H469 IonicContact OE2-CG 3.56Å; E416-H469 IonicContact OE2-ND1 2.75Å; E416-H469 PolarHBondContact OE2-ND1 3.49Å; E416-I474 HydrophobicContact CG-CB 4.45Å; E416-I474 HydrophobicContact CG-CG2 4.43Å
417L96.2Very high94.4Very high3 Ų331.1 Ų31.12%0.01615%0.154CC..Hα-helixtrans-63.3-43.2175.1-66175.6000111.7A133 R136 L137 A413 E414 G419 Y420 L421 F443 I504A133-L417 HydrophobicContact CB-CD2 4.21Å; A133-L417 VanDerWaalsContact O-CD2 3.23Å; A133-L417 WeakPolarHBondContact O-CD2 3.44Å; R136-L417 HydrophobicContact CB-CD2 3.83Å; R136-L417 HydrophobicContact CG-CD2 3.92Å; L137-L417 HydrophobicContact CB-CD2 4.39Å; A413-L417 WeakPolarHBondContact O-CG 3.5Å; A413-L417 PolarHBondContact O-N 3.22Å; E414-L417 PolarHBondContact O-N 2.84Å; L417-G419 PolarHBondContact O-N 3.42Å; L417-Y420 PolarHBondContact O-N 2.98Å; L417-L421 WeakPolarHBondContact O-CB 3.39Å; L417-L421 VanDerWaalsContact O-CG 3.27Å; L417-L421 WeakPolarHBondContact O-CG 3.4Å; L417-L421 PolarHBondContact O-N 3.49Å; L417-F443 HydrophobicContact CD1-CE1 4.35Å; L417-I504 HydrophobicContact CD1-CD1 3.59Å
418S96.4Very high94.3Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-57.3-48.1173.5171.50000111.8E414 M415 R422 A440 E444E414-S418 WeakPolarHBondContact O-CB 3Å; E414-S418 PolarHBondContact O-N 3.09Å; M415-S418 WeakPolarHBondContact O-CB 3.43Å; M415-S418 PolarHBondContact O-N 3.16Å; S418-R422 WeakPolarHBondContact O-CB 3.39Å; S418-R422 WeakPolarHBondContact O-CG 3.28Å; S418-R422 PolarHBondContact O-N 3.13Å; S418-A440 WeakPolarHBondContact CB-O 3.35Å; S418-A440 PolarHBondContact OG-O 2.82Å; S418-E444 PolarHBondContact OG-OE1 2.97Å
419G95Very high94.1Very high25 Ų2535.5 Ų35.526%0.25819%0.192SC..Hα-helixtrans-61.9-44.8178.200000112.9M415 E416 L417 K423M415-G419 PolarHBondContact O-N 2.92Å; E416-G419 PolarHBondContact O-N 2.92Å; L417-G419 PolarHBondContact O-N 3.42Å; G419-K423 WeakPolarHBondContact O-CG 3.24Å; G419-K423 PolarHBondContact O-N 3.28Å
420Y95.8Very high93.9Very high53 Ų5338.2 Ų38.221%0.20822%0.219CC..Hα-helixtrans-64.4-51.2177.9176.5-105.6000112.1M132 R136 E416 L417 R422 K423 E424M132-Y420 HydrophobicContact CB-CE1 4.33Å; R136-Y420 HydrophobicContact CB-CD1 3.55Å; R136-Y420 HydrophobicContact CB-CE1 3.76Å; R136-Y420 HydrophobicContact CB-CG 4.04Å; R136-Y420 HydrophobicContact CG-CD1 3.73Å; R136-Y420 HydrophobicContact CG-CD2 4.21Å; R136-Y420 HydrophobicContact CG-CE1 4.31Å; R136-Y420 HydrophobicContact CG-CG 3.67Å; E416-Y420 WeakPolarHBondContact O-CB 3.33Å; E416-Y420 PolarHBondContact O-N 3.32Å; L417-Y420 PolarHBondContact O-N 2.98Å; Y420-R422 VanDerWaalsContact C-N 3.3Å; Y420-R422 PolarHBondContact O-N 3.25Å; Y420-K423 WeakPolarHBondContact O-CB 3.16Å; Y420-K423 PolarHBondContact O-N 3.32Å; Y420-K423 VanDerWaalsContact O-N 3.07Å; Y420-E424 HydrophobicContact CD1-CG 4.27Å; Y420-E424 HydrophobicContact CD2-CG 4.14Å; Y420-E424 HydrophobicContact CE1-CG 3.82Å; Y420-E424 HydrophobicContact CE2-CG 3.63Å; Y420-E424 HydrophobicContact CG-CG 4.43Å; Y420-E424 VanDerWaalsContact CZ-CG 3.46Å; Y420-E424 WeakPolarHBondContact O-CG 3.24Å; Y420-E424 PolarHBondContact O-N 3.17Å
421L95.9Very high93.9Very high0 Ų045 Ų450%024%0.24CC..Hα-helixtrans-61.4-37-179.5-71.7176.2000112.4M132 A133 L417 E424 A425 I436 A440 F443M132-L421 HydrophobicContact CB-CD2 3.68Å; A133-L421 HydrophobicContact CB-CD1 4.3Å; L417-L421 WeakPolarHBondContact O-CB 3.39Å; L417-L421 VanDerWaalsContact O-CG 3.27Å; L417-L421 WeakPolarHBondContact O-CG 3.4Å; L417-L421 PolarHBondContact O-N 3.49Å; L421-E424 PolarHBondContact O-N 2.83Å; L421-A425 WeakPolarHBondContact O-CB 3.39Å; L421-A425 PolarHBondContact O-N 2.63Å; L421-I436 HydrophobicContact CB-CG2 4.32Å; L421-I436 HydrophobicContact CD2-CG2 4.33Å; L421-A440 HydrophobicContact CB-CB 3.67Å; L421-A440 HydrophobicContact CD1-CB 4.43Å; L421-F443 HydrophobicContact CD1-CD2 3.9Å; L421-F443 HydrophobicContact CD1-CE2 3.5Å
422R94.6Very high93.8Very high74 Ų7448.1 Ų48.128%0.27926%0.255SS..Hα-helixtrans-62.4-41.4173.5-77.9178.6-178.7151.85.9112.6S418 Y420 A440 E444S418-R422 WeakPolarHBondContact O-CB 3.39Å; S418-R422 WeakPolarHBondContact O-CG 3.28Å; S418-R422 PolarHBondContact O-N 3.13Å; Y420-R422 VanDerWaalsContact C-N 3.3Å; Y420-R422 PolarHBondContact O-N 3.25Å; R422-A440 HydrophobicContact CG-CB 3.72Å; R422-E444 IonicContact CZ-OE1 3.38Å; R422-E444 IonicContact NH1-OE1 2.85Å; R422-E444 PolarHBondContact NH1-OE1 3.05Å; R422-E444 IonicContact NH2-OE1 3.17Å; R422-E444 PolarHBondContact NH2-OE1 3.04Å; R422-E444 IonicContact NH2-OE2 3.38Å; R422-E444 PolarHBondContact NH2-OE2 3.13Å
423K94.2Very high93.7Very high128 Ų12851 Ų5156%0.55727%0.268SS*.Hα-helixtrans-66.9-44.7178.7-73173.3-179174.50111.2G419 Y420 L426G419-K423 WeakPolarHBondContact O-CG 3.24Å; G419-K423 PolarHBondContact O-N 3.28Å; Y420-K423 WeakPolarHBondContact O-CB 3.16Å; Y420-K423 PolarHBondContact O-N 3.32Å; Y420-K423 VanDerWaalsContact O-N 3.07Å; K423-L426 PolarHBondContact O-N 3.1Å
424E94Very high93.7Very high50 Ų5055.5 Ų55.523%0.23429%0.291CS..Hα-helixtrans-70.4-35179.2-65.3-69.1126.600112.4M132 Y420 L421 L426 Q427 I428M132-E424 HydrophobicContact CE-CB 3.14Å; M132-E424 HydrophobicContact CE-CG 3.74Å; Y420-E424 HydrophobicContact CD1-CG 4.27Å; Y420-E424 HydrophobicContact CD2-CG 4.14Å; Y420-E424 HydrophobicContact CE1-CG 3.82Å; Y420-E424 HydrophobicContact CE2-CG 3.63Å; Y420-E424 HydrophobicContact CG-CG 4.43Å; Y420-E424 VanDerWaalsContact CZ-CG 3.46Å; Y420-E424 WeakPolarHBondContact O-CG 3.24Å; Y420-E424 PolarHBondContact O-N 3.17Å; L421-E424 PolarHBondContact O-N 2.83Å; E424-L426 PolarHBondContact O-N 3.34Å; E424-Q427 WeakPolarHBondContact O-CB 3.48Å; E424-Q427 PolarHBondContact O-N 3.46Å; E424-I428 PolarHBondContact O-N 3.2Å
425A93.7Very high93.7Very high0 Ų055.3 Ų55.30%029%0.29CS..Hα-helixtrans-56.8-34.3175.800000112.1L421 Q427 I428 Q433 I436 S437L421-A425 WeakPolarHBondContact O-CB 3.39Å; L421-A425 PolarHBondContact O-N 2.63Å; A425-Q427 PolarHBondContact O-N 3.45Å; A425-I428 PolarHBondContact O-N 3.39Å; A425-I428 VanDerWaalsContact O-N 3.15Å; A425-I428 VanDerWaalsContact O-O 3.13Å; A425-Q433 VanDerWaalsContact O-CG 3.32Å; A425-Q433 WeakPolarHBondContact O-CG 3.32Å; A425-I436 HydrophobicContact CB-CB 4.12Å; A425-I436 HydrophobicContact CB-CG2 3.91Å; A425-S437 WeakPolarHBondContact CB-OG 3.34Å
426L93.5Very high93.7Very high127 Ų12755.1 Ų55.167%0.66529%0.289SS*.THydrogen-bonded Turntrans-64.9-22.6176.3-64.5173.8000113.5K423 E424K423-L426 PolarHBondContact O-N 3.1Å; E424-L426 PolarHBondContact O-N 3.34Å
427Q92.6Very high93.7Very high143 Ų14356.1 Ų56.167%0.66830%0.298SS*.THydrogen-bonded Turntrans-85.1-18.5177.4-56-17919.500112.1E424 A425E424-Q427 WeakPolarHBondContact O-CB 3.48Å; E424-Q427 PolarHBondContact O-N 3.46Å; A425-Q427 PolarHBondContact O-N 3.45Å
428I91.2Very high93.6Very high35 Ų3556.2 Ų56.218%0.17930%0.299CS..SBendtrans-90127.7179.4-61.3169.9000108.2L128 M132 E424 A425 E432 Q433 I436L128-I428 HydrophobicContact CD2-CD1 4.29Å; M132-I428 HydrophobicContact CE-CD1 4.15Å; M132-I428 HydrophobicContact SD-CD1 4.18Å; E424-I428 PolarHBondContact O-N 3.2Å; A425-I428 PolarHBondContact O-N 3.39Å; A425-I428 VanDerWaalsContact O-N 3.15Å; A425-I428 VanDerWaalsContact O-O 3.13Å; I428-E432 HydrophobicContact CG2-CB 3.85Å; I428-Q433 WeakPolarHBondContact O-CB 3.45Å; I428-I436 HydrophobicContact CD1-CD1 3.36Å
429G87.3Confident93.6Very high62 Ų6256.2 Ų56.264%0.63930%0.299SS*.  trans-85.7153174.700000112.7
430G89.7Confident93.7Very high56 Ų5655 Ų5558%0.57729%0.287SS*.SBendtrans90.9-159.116900000114.6E432 Q433G430-E432 PolarHBondContact O-N 3.31Å; G430-Q433 WeakPolarHBondContact O-CB 3.32Å; G430-Q433 PolarHBondContact O-N 3.02Å
431R89.9Confident93.7Very high160 Ų16058.7 Ų58.760%0.60430%0.3SS*.Hα-helixtrans-64.8-29.4-174.7-64.3-177.7-177.8-178.6-1.5112.9V121 Q433 L434 L435V121-R431 HydrophobicContact CG1-CB 4.48Å; R431-Q433 PolarHBondContact O-N 2.78Å; R431-L434 PolarHBondContact O-N 2.99Å; R431-L435 WeakPolarHBondContact O-CG 3.24Å; R431-L435 PolarHBondContact O-N 3.24Å
432E91.3Very high93.7Very high66 Ų6658.7 Ų58.731%0.30830%0.3SS..Hα-helixtrans-60.6-34179.5-64.7-179.5175.700112A125 I428 G430 L434 L435 I436A125-E432 HydrophobicContact CB-CG 4.35Å; I428-E432 HydrophobicContact CG2-CB 3.85Å; G430-E432 PolarHBondContact O-N 3.31Å; E432-L434 VanDerWaalsContact C-N 3.33Å; E432-L434 PolarHBondContact O-N 3.46Å; E432-L435 PolarHBondContact O-N 3.42Å; E432-I436 WeakPolarHBondContact O-CB 3.5Å; E432-I436 VanDerWaalsContact O-CG1 3.3Å; E432-I436 WeakPolarHBondContact O-CG1 3.24Å; E432-I436 PolarHBondContact O-N 2.94Å
433Q94Very high93.8Very high61 Ų6155.2 Ų55.229%0.28529%0.287SS..Hα-helixtrans-53-49.4174.6177.917312.200112.4A425 I428 G430 R431 S437A425-Q433 VanDerWaalsContact O-CG 3.32Å; A425-Q433 WeakPolarHBondContact O-CG 3.32Å; I428-Q433 WeakPolarHBondContact O-CB 3.45Å; G430-Q433 WeakPolarHBondContact O-CB 3.32Å; G430-Q433 PolarHBondContact O-N 3.02Å; R431-Q433 PolarHBondContact O-N 2.78Å; Q433-S437 VanDerWaalsContact O-CB 3.3Å; Q433-S437 WeakPolarHBondContact O-CB 3.3Å; Q433-S437 PolarHBondContact O-N 2.85Å; Q433-S437 PolarHBondContact O-OG 2.83Å
434L94.5Very high93.9Very high99 Ų9949.1 Ų49.152%0.51826%0.26SS..Hα-helixtrans-69.6-39.4-176.9-61.5176.5000111.1F112 R431 E432 S437 A438F112-L434 HydrophobicContact CE1-CB 3.84Å; F112-L434 HydrophobicContact CZ-CB 4.12Å; R431-L434 PolarHBondContact O-N 2.99Å; E432-L434 VanDerWaalsContact C-N 3.33Å; E432-L434 PolarHBondContact O-N 3.46Å; L434-S437 PolarHBondContact O-N 3.08Å; L434-A438 WeakPolarHBondContact O-CB 3.24Å; L434-A438 PolarHBondContact O-N 3.35Å
435L95.6Very high94Very high2 Ų246.8 Ų46.81%0.0125%0.25CC..Hα-helixtrans-69.4-42.7-179.1-65.3167.4000112F112 V121 I122 A125 R431 E432 S437 A438 M439F112-L435 HydrophobicContact CB-CD2 4.16Å; F112-L435 HydrophobicContact CD1-CD2 4.11Å; F112-L435 HydrophobicContact CD2-CD2 3.68Å; F112-L435 HydrophobicContact CE1-CD2 4.44Å; F112-L435 HydrophobicContact CE2-CD2 4.04Å; F112-L435 HydrophobicContact CG-CD2 3.71Å; F112-L435 HydrophobicContact CZ-CD2 4.4Å; V121-L435 HydrophobicContact CG1-CD1 4.01Å; I122-L435 HydrophobicContact CB-CD2 4.4Å; I122-L435 HydrophobicContact CG1-CD1 4.43Å; I122-L435 HydrophobicContact CG1-CD2 3.89Å; I122-L435 HydrophobicContact CG2-CD2 4.24Å; A125-L435 HydrophobicContact CB-CB 3.55Å; A125-L435 HydrophobicContact CB-CD1 3.67Å; A125-L435 HydrophobicContact CB-CG 4.25Å; R431-L435 WeakPolarHBondContact O-CG 3.24Å; R431-L435 PolarHBondContact O-N 3.24Å; E432-L435 PolarHBondContact O-N 3.42Å; L435-S437 VanDerWaalsContact C-N 3.34Å; L435-A438 WeakPolarHBondContact O-CB 3.24Å; L435-A438 PolarHBondContact O-N 3.15Å; L435-M439 PolarHBondContact O-N 2.82Å
436I95.8Very high94.1Very high0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-67.2-38.3174.8-64.6168.3000110.3L128 M132 L421 A425 I428 E432 A438 M439 A440L128-I436 HydrophobicContact CD2-CD1 4.06Å; L128-I436 HydrophobicContact CG-CD1 4.28Å; M132-I436 HydrophobicContact SD-CD1 4.43Å; L421-I436 HydrophobicContact CB-CG2 4.32Å; L421-I436 HydrophobicContact CD2-CG2 4.33Å; A425-I436 HydrophobicContact CB-CB 4.12Å; A425-I436 HydrophobicContact CB-CG2 3.91Å; I428-I436 HydrophobicContact CD1-CD1 3.36Å; E432-I436 WeakPolarHBondContact O-CB 3.5Å; E432-I436 VanDerWaalsContact O-CG1 3.3Å; E432-I436 WeakPolarHBondContact O-CG1 3.24Å; E432-I436 PolarHBondContact O-N 2.94Å; I436-A438 VanDerWaalsContact C-N 3.28Å; I436-A438 PolarHBondContact O-N 2.9Å; I436-M439 PolarHBondContact O-N 2.85Å; I436-A440 WeakPolarHBondContact O-CB 3.38Å; I436-A440 PolarHBondContact O-N 2.72Å
437S95.7Very high94.2Very high35 Ų3541 Ų4125%0.24522%0.219CC..Hα-helixtrans-63.6-34.5174.3-61.70000112.5A425 Q433 L434 L435 A440 R441A425-S437 WeakPolarHBondContact CB-OG 3.34Å; Q433-S437 VanDerWaalsContact O-CB 3.3Å; Q433-S437 WeakPolarHBondContact O-CB 3.3Å; Q433-S437 PolarHBondContact O-N 2.85Å; Q433-S437 PolarHBondContact O-OG 2.83Å; L434-S437 PolarHBondContact O-N 3.08Å; L435-S437 VanDerWaalsContact C-N 3.34Å; S437-A440 WeakPolarHBondContact O-CB 3.36Å; S437-R441 PolarHBondContact O-N 3.06Å; S437-R441 VanDerWaalsContact O-N 3.12Å
438A95.8Very high94.4Very high5 Ų537.5 Ų37.54%0.04120%0.2CC..Hα-helixtrans-70.3-43.7174.800000111.6Q108 F112 L434 L435 I436 A440 R441 A442Q108-A438 HydrophobicContact CB-CB 4.2Å; F112-A438 HydrophobicContact CE2-CB 3.55Å; F112-A438 HydrophobicContact CZ-CB 4Å; L434-A438 WeakPolarHBondContact O-CB 3.24Å; L434-A438 PolarHBondContact O-N 3.35Å; L435-A438 WeakPolarHBondContact O-CB 3.24Å; L435-A438 PolarHBondContact O-N 3.15Å; I436-A438 VanDerWaalsContact C-N 3.28Å; I436-A438 PolarHBondContact O-N 2.9Å; A438-A440 VanDerWaalsContact C-N 3.3Å; A438-A440 PolarHBondContact O-N 2.84Å; A438-R441 WeakPolarHBondContact O-CB 3.26Å; A438-R441 PolarHBondContact O-N 2.77Å; A438-R441 VanDerWaalsContact O-N 3.12Å; A438-A442 PolarHBondContact O-N 2.85Å
439M95.7Very high94.6Very high0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-58.8-41.9171.7-170-176.8-175.800111.5F105 F126 E130 L435 I436 R441 A442 F443 T508F105-M439 HydrophobicContact CD1-CG 3.96Å; F105-M439 HydrophobicContact CE1-CE 4.12Å; F105-M439 HydrophobicContact CE1-CG 3.63Å; F105-M439 HydrophobicContact CE2-CE 4.15Å; F105-M439 HydrophobicContact CZ-CE 3.77Å; F105-M439 HydrophobicContact CZ-CG 4.25Å; F126-M439 HydrophobicContact CD1-CB 4.29Å; F126-M439 HydrophobicContact CD1-SD 4.42Å; F126-M439 HydrophobicContact CE1-CB 4.19Å; E130-M439 HydrophobicContact CB-CE 4.24Å; L435-M439 PolarHBondContact O-N 2.82Å; I436-M439 PolarHBondContact O-N 2.85Å; M439-R441 VanDerWaalsContact C-N 3.3Å; M439-R441 PolarHBondContact O-N 2.85Å; M439-A442 WeakPolarHBondContact O-CB 3.45Å; M439-A442 PolarHBondContact O-N 2.7Å; M439-A442 VanDerWaalsContact O-N 3.1Å; M439-F443 HydrophobicContact CE-CE2 4.28Å; M439-F443 HydrophobicContact CE-CZ 4.31Å; M439-F443 HydrophobicContact CG-CE2 4.19Å; M439-F443 VanDerWaalsContact O-CD2 3.31Å; M439-F443 WeakPolarHBondContact O-CD2 3.47Å; M439-F443 PolarHBondContact O-N 2.94Å; M439-T508 HydrophobicContact CE-CG2 4.48Å
440A96.2Very high94.9Very high0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-59.4-40.5174.900000112.3S418 L421 R422 I436 S437 A438 A442 F443S418-A440 WeakPolarHBondContact CB-O 3.35Å; S418-A440 PolarHBondContact OG-O 2.82Å; L421-A440 HydrophobicContact CB-CB 3.67Å; L421-A440 HydrophobicContact CD1-CB 4.43Å; R422-A440 HydrophobicContact CG-CB 3.72Å; I436-A440 WeakPolarHBondContact O-CB 3.38Å; I436-A440 PolarHBondContact O-N 2.72Å; S437-A440 WeakPolarHBondContact O-CB 3.36Å; A438-A440 VanDerWaalsContact C-N 3.3Å; A438-A440 PolarHBondContact O-N 2.84Å; A440-A442 VanDerWaalsContact C-N 3.33Å; A440-A442 PolarHBondContact O-N 3.48Å; A440-F443 PolarHBondContact O-N 3.06Å
441R96Very high95.1Very high130 Ų13031.3 Ų31.349%0.49114%0.139SC..Hα-helixtrans-66.1-34.5175-170.8-175-64.3154.7-3112.4S437 A438 M439 F443 E444S437-R441 PolarHBondContact O-N 3.06Å; S437-R441 VanDerWaalsContact O-N 3.12Å; A438-R441 WeakPolarHBondContact O-CB 3.26Å; A438-R441 PolarHBondContact O-N 2.77Å; A438-R441 VanDerWaalsContact O-N 3.12Å; M439-R441 VanDerWaalsContact C-N 3.3Å; M439-R441 PolarHBondContact O-N 2.85Å; R441-F443 VanDerWaalsContact C-N 3.29Å; R441-F443 PolarHBondContact O-N 3.01Å; R441-E444 WeakPolarHBondContact O-CB 3.47Å; R441-E444 PolarHBondContact O-N 3.23Å
442A96.7Very high95.3Very high0 Ų027 Ų270%013%0.128CC..Hα-helixtrans-62.2-36179.100000112.6E104 F105 Q108 A438 M439 A440 E444 V445E104-A442 HydrophobicContact CB-CB 4.17Å; E104-A442 HydrophobicContact CG-CB 3.7Å; F105-A442 HydrophobicContact CD1-CB 3.35Å; F105-A442 HydrophobicContact CE1-CB 3.66Å; Q108-A442 HydrophobicContact CG-CB 3.86Å; A438-A442 PolarHBondContact O-N 2.85Å; M439-A442 WeakPolarHBondContact O-CB 3.45Å; M439-A442 PolarHBondContact O-N 2.7Å; M439-A442 VanDerWaalsContact O-N 3.1Å; A440-A442 VanDerWaalsContact C-N 3.33Å; A440-A442 PolarHBondContact O-N 3.48Å; A442-E444 PolarHBondContact O-N 3.38Å; A442-E444 VanDerWaalsContact O-N 3.13Å; A442-V445 WeakPolarHBondContact O-CB 3.43Å; A442-V445 WeakPolarHBondContact O-CG1 3.21Å; A442-V445 PolarHBondContact O-N 3.25Å
443F96.6Very high95.4Very high1 Ų125.3 Ų25.30%0.00412%0.121CC..Hα-helixtrans-57.2-28.9176-78-69.1000113.6L101 F105 A133 E414 L417 L421 M439 A440 R441 V445 I446 I504L101-F443 HydrophobicContact CD2-CD1 4.02Å; L101-F443 HydrophobicContact CD2-CE1 4.47Å; F105-F443 HydrophobicContact CE1-CD2 4.49Å; F105-F443 HydrophobicContact CE1-CE2 4.19Å; F105-F443 HydrophobicContact CE1-CZ 4.25Å; F105-F443 HydrophobicContact CZ-CE1 4.08Å; F105-F443 HydrophobicContact CZ-CE2 4.19Å; F105-F443 AromaticContact CZ-CZ 3.8Å; F105-F443 HydrophobicContact CZ-CZ 3.8Å; A133-F443 HydrophobicContact CB-CZ 4.34Å; E414-F443 HydrophobicContact CB-CB 4.32Å; E414-F443 WeakPolarHBondContact CB-O 3.49Å; E414-F443 HydrophobicContact CG-CD1 4.42Å; L417-F443 HydrophobicContact CD1-CE1 4.35Å; L421-F443 HydrophobicContact CD1-CD2 3.9Å; L421-F443 HydrophobicContact CD1-CE2 3.5Å; M439-F443 HydrophobicContact CE-CE2 4.28Å; M439-F443 HydrophobicContact CE-CZ 4.31Å; M439-F443 HydrophobicContact CG-CE2 4.19Å; M439-F443 VanDerWaalsContact O-CD2 3.31Å; M439-F443 WeakPolarHBondContact O-CD2 3.47Å; M439-F443 PolarHBondContact O-N 2.94Å; A440-F443 PolarHBondContact O-N 3.06Å; R441-F443 VanDerWaalsContact C-N 3.29Å; R441-F443 PolarHBondContact O-N 3.01Å; F443-V445 PolarHBondContact O-N 3.09Å; F443-V445 VanDerWaalsContact O-N 3.12Å; F443-I446 PolarHBondContact O-N 2.82Å; F443-I504 HydrophobicContact CE1-CD1 4.44Å; F443-I504 HydrophobicContact CE1-CG1 3.94Å; F443-I504 HydrophobicContact CZ-CG1 4.29Å; F443-I504 HydrophobicContact CZ-CG2 4.4Å
444E96.5Very high95.3Very high0 Ų023 Ų230%011%0.112CC..THydrogen-bonded Turntrans-69.9-6.2178.9-56.7-179.315800113.4M415 S418 R422 R441 A442 I446 P447 R448 L462 R466M415-E444 HydrophobicContact CE-CG 4.42Å; M415-E444 HydrophobicContact SD-CB 4.43Å; M415-E444 HydrophobicContact SD-CG 3.96Å; S418-E444 PolarHBondContact OG-OE1 2.97Å; R422-E444 IonicContact CZ-OE1 3.38Å; R422-E444 IonicContact NH1-OE1 2.85Å; R422-E444 PolarHBondContact NH1-OE1 3.05Å; R422-E444 IonicContact NH2-OE1 3.17Å; R422-E444 PolarHBondContact NH2-OE1 3.04Å; R422-E444 IonicContact NH2-OE2 3.38Å; R422-E444 PolarHBondContact NH2-OE2 3.13Å; R441-E444 WeakPolarHBondContact O-CB 3.47Å; R441-E444 PolarHBondContact O-N 3.23Å; A442-E444 PolarHBondContact O-N 3.38Å; A442-E444 VanDerWaalsContact O-N 3.13Å; E444-I446 VanDerWaalsContact C-N 3.29Å; E444-I446 PolarHBondContact O-N 3.33Å; E444-P447 WeakPolarHBondContact O-CD 3.01Å; E444-P447 WeakPolarHBondContact O-CG 3.46Å; E444-R448 WeakPolarHBondContact O-CB 3.1Å; E444-R448 PolarHBondContact O-N 3.19Å; E444-R448 VanDerWaalsContact O-N 3.08Å; E444-L462 HydrophobicContact CB-CD2 4.45Å; E444-R466 IonicContact OE1-CZ 2.69Å; E444-R466 IonicContact OE1-NE 2.83Å; E444-R466 PolarHBondContact OE1-NE 3.31Å; E444-R466 IonicContact OE1-NH2 3.76Å; E444-R466 PolarHBondContact OE1-NH2 2.95Å; E444-R466 IonicContact OE2-CZ 2.67Å; E444-R466 IonicContact OE2-NE 3.32Å; E444-R466 IonicContact OE2-NH2 3.92Å; E444-R466 PolarHBondContact OE2-NH2 2.79Å
445V96.3Very high95.1Very high1 Ų121.7 Ų21.71%0.00612%0.122CC..Hα-helixtrans-63.4-34.6176.173.80000112.4L101 E104 A442 F443 R448 Q449L101-V445 HydrophobicContact CD2-CG1 3.99Å; E104-V445 HydrophobicContact CB-CB 4.15Å; E104-V445 HydrophobicContact CB-CG1 3.97Å; E104-V445 HydrophobicContact CB-CG2 4.31Å; E104-V445 HydrophobicContact CG-CB 3.86Å; E104-V445 HydrophobicContact CG-CG1 4.16Å; E104-V445 HydrophobicContact CG-CG2 4.19Å; A442-V445 WeakPolarHBondContact O-CB 3.43Å; A442-V445 WeakPolarHBondContact O-CG1 3.21Å; A442-V445 PolarHBondContact O-N 3.25Å; F443-V445 PolarHBondContact O-N 3.09Å; F443-V445 VanDerWaalsContact O-N 3.12Å; V445-R448 PolarHBondContact O-N 2.72Å; V445-Q449 WeakPolarHBondContact O-CB 2.97Å; V445-Q449 PolarHBondContact O-N 3.38Å
446I95.5Very high94.9Very high5 Ų522.8 Ų22.83%0.02613%0.128CC..Hα-helixtrans-64.6-59.8-179.5-62.1-58.4000110.8L41 L100 L101 E414 F443 E444 R448 Q449 L450L41-I446 HydrophobicContact CD2-CD1 4.11Å; L41-I446 HydrophobicContact CD2-CG2 4.38Å; L100-I446 HydrophobicContact CB-CD1 4.34Å; L101-I446 HydrophobicContact CD1-CG1 4.37Å; L101-I446 HydrophobicContact CD2-CD1 4.44Å; L101-I446 HydrophobicContact CD2-CG1 3.93Å; L101-I446 HydrophobicContact CG-CD1 4.09Å; L101-I446 HydrophobicContact CG-CG1 4.05Å; E414-I446 HydrophobicContact CG-CB 4.07Å; E414-I446 HydrophobicContact CG-CG1 4.09Å; E414-I446 HydrophobicContact CG-CG2 4.36Å; F443-I446 PolarHBondContact O-N 2.82Å; E444-I446 VanDerWaalsContact C-N 3.29Å; E444-I446 PolarHBondContact O-N 3.33Å; I446-R448 VanDerWaalsContact C-N 3.27Å; I446-R448 PolarHBondContact O-N 3.49Å; I446-Q449 PolarHBondContact O-N 3.3Å; I446-L450 HydrophobicContact CG2-CD1 4.29Å; I446-L450 VanDerWaalsContact O-CG 3.3Å; I446-L450 WeakPolarHBondContact O-CG 3.41Å; I446-L450 PolarHBondContact O-N 3.45Å
447P95.5Very high94.8Very high0 Ų026.9 Ų26.90%015%0.15CC..Hα-helixtrans-61.8-33.7176.222.1-32000112.7M415 E444 C451 L462 L465 V478M415-P447 HydrophobicContact CG-CB 4.4Å; M415-P447 HydrophobicContact CG-CG 3.9Å; M415-P447 HydrophobicContact SD-CB 4.49Å; M415-P447 HydrophobicContact SD-CG 3.66Å; E444-P447 WeakPolarHBondContact O-CD 3.01Å; E444-P447 WeakPolarHBondContact O-CG 3.46Å; P447-C451 PolarHBondContact O-N 3.35Å; P447-C451 VanDerWaalsContact O-N 3.17Å; P447-C451 PolarHBondContact O-SG 3.14Å; P447-L462 HydrophobicContact CB-CD2 3.94Å; P447-L462 HydrophobicContact CG-CD2 3.82Å; P447-L465 HydrophobicContact CB-CD1 4.1Å; P447-V478 HydrophobicContact CB-CG2 4.12Å
448R96Very high94.6Very high69 Ų6926 Ų2626%0.2614%0.144SC..Hα-helixtrans-58.4-52.2174.2-171.1176.6-63.4145.39.8111.2E444 V445 I446 L450 C451 D452 L462E444-R448 WeakPolarHBondContact O-CB 3.1Å; E444-R448 PolarHBondContact O-N 3.19Å; E444-R448 VanDerWaalsContact O-N 3.08Å; V445-R448 PolarHBondContact O-N 2.72Å; I446-R448 VanDerWaalsContact C-N 3.27Å; I446-R448 PolarHBondContact O-N 3.49Å; R448-L450 VanDerWaalsContact C-N 3.34Å; R448-L450 PolarHBondContact O-N 3.03Å; R448-C451 WeakPolarHBondContact O-CB 3.33Å; R448-C451 PolarHBondContact O-N 3.45Å; R448-D452 PolarHBondContact O-N 3.01Å; R448-L462 HydrophobicContact CB-CD1 3.88Å; R448-L462 HydrophobicContact CG-CD1 4.04Å
449Q95.3Very high94.6Very high11 Ų1129.9 Ų29.95%0.05117%0.167CC..Hα-helixtrans-69.7-33.4-175.3-168.960.354.400112.1R38 L41 V445 I446 C451 D452 N453R38-Q449 HydrophobicContact CG-CG 3.79Å; R38-Q449 VanDerWaalsContact NH1-OE1 3.17Å; R38-Q449 WeakPolarHBondContact O-CG 3.18Å; L41-Q449 HydrophobicContact CB-CG 4.26Å; L41-Q449 HydrophobicContact CD2-CB 3.81Å; L41-Q449 HydrophobicContact CD2-CG 4.02Å; V445-Q449 WeakPolarHBondContact O-CB 2.97Å; V445-Q449 PolarHBondContact O-N 3.38Å; I446-Q449 PolarHBondContact O-N 3.3Å; Q449-C451 VanDerWaalsContact C-N 3.31Å; Q449-C451 PolarHBondContact O-N 2.92Å; Q449-D452 PolarHBondContact O-N 3.09Å; Q449-N453 PolarHBondContact NE2-OD1 3.44Å; Q449-N453 WeakPolarHBondContact O-CB 3.5Å; Q449-N453 VanDerWaalsContact O-CG 3.29Å; Q449-N453 PolarHBondContact O-N 3.45Å; Q449-N453 PolarHBondContact O-ND2 3.39Å
450L93.6Very high94.5Very high12 Ų1234.1 Ų34.16%0.06319%0.189CC..Hα-helixtrans-58.1-43.9171-71.7175.2000111.6L41 I446 R448 A454 I480L41-L450 HydrophobicContact CD2-CD2 4.21Å; L41-L450 HydrophobicContact CD2-CG 4.22Å; L41-L450 HydrophobicContact CG-CD2 4.08Å; I446-L450 HydrophobicContact CG2-CD1 4.29Å; I446-L450 VanDerWaalsContact O-CG 3.3Å; I446-L450 WeakPolarHBondContact O-CG 3.41Å; I446-L450 PolarHBondContact O-N 3.45Å; R448-L450 VanDerWaalsContact C-N 3.34Å; R448-L450 PolarHBondContact O-N 3.03Å; L450-A454 VanDerWaalsContact O-CB 3.3Å; L450-A454 WeakPolarHBondContact O-CB 3.24Å; L450-A454 PolarHBondContact O-N 2.97Å; L450-A454 VanDerWaalsContact O-N 3.13Å; L450-I480 HydrophobicContact CD2-CD1 4.35Å
451C94.1Very high94.3Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-65.8-48.4175.9-66.80000111.9P447 R448 Q449 N453 A454 G455 L456 I461P447-C451 PolarHBondContact O-N 3.35Å; P447-C451 VanDerWaalsContact O-N 3.17Å; P447-C451 PolarHBondContact O-SG 3.14Å; R448-C451 WeakPolarHBondContact O-CB 3.33Å; R448-C451 PolarHBondContact O-N 3.45Å; Q449-C451 VanDerWaalsContact C-N 3.31Å; Q449-C451 PolarHBondContact O-N 2.92Å; C451-N453 VanDerWaalsContact C-N 3.32Å; C451-N453 PolarHBondContact O-N 2.64Å; C451-A454 CarbonylContact O-C 3.55Å; C451-A454 PolarHBondContact O-N 2.61Å; C451-A454 VanDerWaalsContact O-N 3.08Å; C451-G455 PolarHBondContact O-N 3.27Å; C451-L456 HydrophobicContact CB-CB 4.09Å; C451-L456 PolarHBondContact O-N 2.92Å; C451-I461 VanDerWaalsContact SG-CG2 3.51Å
452D94.3Very high94.2Very high71 Ų7128.9 Ų28.938%0.3817%0.17SC..Hα-helixtrans-60.5-42.4-178.1-65.4-22.3000111.3R448 Q449 A454 G455 S458R448-D452 PolarHBondContact O-N 3.01Å; Q449-D452 PolarHBondContact O-N 3.09Å; D452-A454 VanDerWaalsContact C-N 3.32Å; D452-A454 PolarHBondContact O-N 3.46Å; D452-G455 PolarHBondContact O-N 3.48Å; D452-S458 WeakPolarHBondContact OD1-CB 3.36Å; D452-S458 PolarHBondContact OD1-OG 2.82Å
453N93.6Very high94.1Very high29 Ų2932.8 Ų32.816%0.15519%0.192CC..Hα-helixtrans-70.4-27.8177.1-69-15.2000112.6R38 S39 L41 Q449 C451 G455R38-N453 PolarHBondContact O-ND2 3.44Å; R38-N453 VanDerWaalsContact O-ND2 3.09Å; S39-N453 PolarHBondContact O-ND2 3Å; L41-N453 PolarHBondContact O-ND2 3.13Å; Q449-N453 PolarHBondContact NE2-OD1 3.44Å; Q449-N453 WeakPolarHBondContact O-CB 3.5Å; Q449-N453 VanDerWaalsContact O-CG 3.29Å; Q449-N453 PolarHBondContact O-N 3.45Å; Q449-N453 PolarHBondContact O-ND2 3.39Å; C451-N453 VanDerWaalsContact C-N 3.32Å; C451-N453 PolarHBondContact O-N 2.64Å; N453-G455 VanDerWaalsContact C-N 3.31Å
454A91.1Very high94Very high13 Ų1337 Ų3711%0.10721%0.211CC..Hα-helixtrans-81.6-7.7174.500000113.8L450 C451 D452 L456 I480L450-A454 VanDerWaalsContact O-CB 3.3Å; L450-A454 WeakPolarHBondContact O-CB 3.24Å; L450-A454 PolarHBondContact O-N 2.97Å; L450-A454 VanDerWaalsContact O-N 3.13Å; C451-A454 CarbonylContact O-C 3.55Å; C451-A454 PolarHBondContact O-N 2.61Å; C451-A454 VanDerWaalsContact O-N 3.08Å; D452-A454 VanDerWaalsContact C-N 3.32Å; D452-A454 PolarHBondContact O-N 3.46Å; A454-L456 HydrophobicContact CB-CD1 4.13Å; A454-L456 HydrophobicContact CB-CG 4Å; A454-I480 HydrophobicContact CB-CG1 4.28Å; A454-I480 HydrophobicContact CB-CG2 3.98Å
455G91.8Very high93.8Very high71 Ų7137 Ų3773%0.73221%0.211SC*.THydrogen-bonded Turntrans78.516.3-174.600000114.3C451 D452 N453C451-G455 PolarHBondContact O-N 3.27Å; D452-G455 PolarHBondContact O-N 3.48Å; N453-G455 VanDerWaalsContact C-N 3.31Å
456L91.3Very high93.7Very high26 Ų2641.1 Ų41.114%0.13623%0.227CC..  trans-89151.1179-57.2177.4000111C451 A454 S458 V478 E483C451-L456 HydrophobicContact CB-CB 4.09Å; C451-L456 PolarHBondContact O-N 2.92Å; A454-L456 HydrophobicContact CB-CD1 4.13Å; A454-L456 HydrophobicContact CB-CG 4Å; L456-S458 PolarHBondContact O-N 3.12Å; L456-V478 HydrophobicContact CD1-CG1 4.43Å; L456-E483 HydrophobicContact CD1-CB 4.3Å; L456-E483 HydrophobicContact CD1-CG 4.48Å; L456-E483 HydrophobicContact CD2-CB 3.62Å; L456-E483 HydrophobicContact CD2-CG 3.73Å
457D92.8Very high93.7Very high86 Ų8646.2 Ų46.246%0.4625%0.25SS..  trans-69.799.8171.5-173.8-20.3000110T459 I460 I461D457-T459 PolarHBondContact O-N 2.93Å; D457-T459 WeakPolarHBondContact OD1-CA 3.45Å; D457-T459 VanDerWaalsContact OD1-CB 3.24Å; D457-T459 WeakPolarHBondContact OD1-CB 3.26Å; D457-T459 PolarHBondContact OD1-N 2.79Å; D457-I460 HydrophobicContact CB-CB 4.39Å; D457-I460 HydrophobicContact CB-CD1 4.09Å; D457-I460 HydrophobicContact CB-CG1 4.28Å; D457-I460 PolarHBondContact O-N 2.88Å; D457-I460 PolarHBondContact OD1-N 2.79Å; D457-I460 VanDerWaalsContact OD2-CD1 3.3Å; D457-I460 WeakPolarHBondContact OD2-CD1 3.46Å; D457-I460 WeakPolarHBondContact OD2-CG1 3.26Å; D457-I461 WeakPolarHBondContact O-CG1 3.36Å; D457-I461 PolarHBondContact O-N 3.48Å
458S92.7Very high93.6Very high15 Ų1547 Ų4711%0.10526%0.256CS..Hα-helixtrans-60.6-26.2-179.756.90000113D452 L456 L462D452-S458 WeakPolarHBondContact OD1-CB 3.36Å; D452-S458 PolarHBondContact OD1-OG 2.82Å; L456-S458 PolarHBondContact O-N 3.12Å; S458-L462 WeakPolarHBondContact O-CB 3.39Å; S458-L462 WeakPolarHBondContact O-CD1 3.32Å; S458-L462 WeakPolarHBondContact O-CG 3.47Å; S458-L462 PolarHBondContact O-N 2.86Å
459T93.8Very high93.5Very high87 Ų8744.3 Ų44.353%0.53425%0.246SC..Hα-helixtrans-70-46.9178.9-53.90000111.2D457 N463D457-T459 PolarHBondContact O-N 2.93Å; D457-T459 WeakPolarHBondContact OD1-CA 3.45Å; D457-T459 VanDerWaalsContact OD1-CB 3.24Å; D457-T459 WeakPolarHBondContact OD1-CB 3.26Å; D457-T459 PolarHBondContact OD1-N 2.79Å; T459-N463 WeakPolarHBondContact O-CB 3.41Å; T459-N463 VanDerWaalsContact O-CG 3.23Å; T459-N463 PolarHBondContact O-N 3.49Å; T459-N463 VanDerWaalsContact O-N 3.16Å; T459-N463 PolarHBondContact O-ND2 3.31Å; T459-N463 VanDerWaalsContact O-ND2 3.09Å
460I94.1Very high93.3Very high90 Ų9047.2 Ų47.246%0.46227%0.272SS..Hα-helixtrans-65.3-48.9-180-64.4174.1000110D457 N463 Q464D457-I460 HydrophobicContact CB-CB 4.39Å; D457-I460 HydrophobicContact CB-CD1 4.09Å; D457-I460 HydrophobicContact CB-CG1 4.28Å; D457-I460 PolarHBondContact O-N 2.88Å; D457-I460 PolarHBondContact OD1-N 2.79Å; D457-I460 VanDerWaalsContact OD2-CD1 3.3Å; D457-I460 WeakPolarHBondContact OD2-CD1 3.46Å; D457-I460 WeakPolarHBondContact OD2-CG1 3.26Å; I460-N463 PolarHBondContact O-N 3.2Å; I460-Q464 WeakPolarHBondContact O-CG 3.47Å; I460-Q464 PolarHBondContact O-N 3.09Å
461I93Very high93.3Very high13 Ų1353.4 Ų53.47%0.06730%0.299CS..Hα-helixtrans-64.4-44.6-177.2-63.1-64.4000111.3C451 D457 N463 Q464 L465 V478 V485C451-I461 VanDerWaalsContact SG-CG2 3.51Å; D457-I461 WeakPolarHBondContact O-CG1 3.36Å; D457-I461 PolarHBondContact O-N 3.48Å; I461-N463 VanDerWaalsContact C-N 3.3Å; I461-N463 PolarHBondContact O-N 3.36Å; I461-Q464 PolarHBondContact O-N 2.88Å; I461-L465 HydrophobicContact CG2-CD1 3.96Å; I461-L465 HydrophobicContact CG2-CG 4.34Å; I461-L465 WeakPolarHBondContact O-CG 3.38Å; I461-L465 PolarHBondContact O-N 2.83Å; I461-V478 HydrophobicContact CG2-CG1 4.49Å; I461-V478 HydrophobicContact CG2-CG2 3.88Å; I461-V485 HydrophobicContact CD1-CG2 4.46Å; I461-V485 HydrophobicContact CG2-CG2 3.91Å
462L94.1Very high93.1Very high6 Ų655.8 Ų55.83%0.03132%0.323CS..Hα-helixtrans-61.7-37.9176.7-75.4172.1000112.4M415 E444 P447 R448 S458 L465 R466M415-L462 HydrophobicContact SD-CD2 4Å; E444-L462 HydrophobicContact CB-CD2 4.45Å; P447-L462 HydrophobicContact CB-CD2 3.94Å; P447-L462 HydrophobicContact CG-CD2 3.82Å; R448-L462 HydrophobicContact CB-CD1 3.88Å; R448-L462 HydrophobicContact CG-CD1 4.04Å; S458-L462 WeakPolarHBondContact O-CB 3.39Å; S458-L462 WeakPolarHBondContact O-CD1 3.32Å; S458-L462 WeakPolarHBondContact O-CG 3.47Å; S458-L462 PolarHBondContact O-N 2.86Å; L462-L465 HydrophobicContact CD2-CD1 4.42Å; L462-L465 PolarHBondContact O-N 2.84Å; L462-R466 WeakPolarHBondContact O-CB 3.48Å; L462-R466 VanDerWaalsContact O-CG 3.28Å; L462-R466 WeakPolarHBondContact O-CG 3.32Å; L462-R466 PolarHBondContact O-N 3Å
463N94.3Very high93Very high83 Ų8355 Ų5544%0.44432%0.319SS..Hα-helixtrans-67-40.4176.9-73.8-27.3000111.7T459 I460 I461 R466 H467T459-N463 WeakPolarHBondContact O-CB 3.41Å; T459-N463 VanDerWaalsContact O-CG 3.23Å; T459-N463 PolarHBondContact O-N 3.49Å; T459-N463 VanDerWaalsContact O-N 3.16Å; T459-N463 PolarHBondContact O-ND2 3.31Å; T459-N463 VanDerWaalsContact O-ND2 3.09Å; I460-N463 PolarHBondContact O-N 3.2Å; I461-N463 VanDerWaalsContact C-N 3.3Å; I461-N463 PolarHBondContact O-N 3.36Å; N463-R466 PolarHBondContact OD1-NH1 3.26Å; N463-R466 VanDerWaalsContact OD1-NH1 3.16Å; N463-H467 PolarHBondContact O-N 2.88Å; N463-H467 VanDerWaalsContact O-N 3.1Å
464Q93.4Very high92.9Very high90 Ų9055.9 Ų55.942%0.42132%0.323SS..Hα-helixtrans-62.9-45.1173.2-70.5176.6-2.900111.7I460 I461 H467 S468 V485I460-Q464 WeakPolarHBondContact O-CG 3.47Å; I460-Q464 PolarHBondContact O-N 3.09Å; I461-Q464 PolarHBondContact O-N 2.88Å; Q464-H467 WeakPolarHBondContact O-CB 3.28Å; Q464-H467 PolarHBondContact O-N 2.86Å; Q464-S468 PolarHBondContact O-N 3.26Å; Q464-V485 HydrophobicContact CB-CG2 3.88Å
465L94Very high93.1Very high0 Ų058.5 Ų58.50%033%0.33CS..Hα-helixtrans-58.9-50176.5-74.5167.7000111.5M415 P447 I461 L462 H467 S468 H469 V478 V485M415-L465 HydrophobicContact CE-CB 4.16Å; M415-L465 HydrophobicContact CG-CB 4.2Å; M415-L465 HydrophobicContact CG-CD1 4.11Å; P447-L465 HydrophobicContact CB-CD1 4.1Å; I461-L465 HydrophobicContact CG2-CD1 3.96Å; I461-L465 HydrophobicContact CG2-CG 4.34Å; I461-L465 WeakPolarHBondContact O-CG 3.38Å; I461-L465 PolarHBondContact O-N 2.83Å; L462-L465 HydrophobicContact CD2-CD1 4.42Å; L462-L465 PolarHBondContact O-N 2.84Å; L465-H467 PolarHBondContact O-N 3.11Å; L465-S468 PolarHBondContact O-N 3.31Å; L465-H469 PolarHBondContact O-CD2 3.12Å; L465-H469 VanDerWaalsContact O-CD2 3.28Å; L465-H469 PolarHBondContact O-N 2.87Å; L465-V478 HydrophobicContact CD1-CG2 3.73Å; L465-V485 HydrophobicContact CD2-CB 4.24Å; L465-V485 HydrophobicContact CD2-CG1 3.47Å; L465-V485 VanDerWaalsContact CD2-CG1 3.47Å; L465-V485 HydrophobicContact CD2-CG2 3.81Å; L465-V485 HydrophobicContact CG-CG1 4.2Å; L465-V485 HydrophobicContact CG-CG2 3.71Å
466R94Very high93.2Very high86 Ų8658.4 Ų58.433%0.32531%0.308SS..Hα-helixtrans-56.8-39.8177.3-72.6174.2-171152.3-1.8111.8M415 E444 L462 N463 A470M415-R466 HydrophobicContact CE-CB 4.44Å; M415-R466 HydrophobicContact CE-CG 3.51Å; E444-R466 IonicContact OE1-CZ 2.69Å; E444-R466 IonicContact OE1-NE 2.83Å; E444-R466 PolarHBondContact OE1-NE 3.31Å; E444-R466 IonicContact OE1-NH2 3.76Å; E444-R466 PolarHBondContact OE1-NH2 2.95Å; E444-R466 IonicContact OE2-CZ 2.67Å; E444-R466 IonicContact OE2-NE 3.32Å; E444-R466 IonicContact OE2-NH2 3.92Å; E444-R466 PolarHBondContact OE2-NH2 2.79Å; L462-R466 WeakPolarHBondContact O-CB 3.48Å; L462-R466 VanDerWaalsContact O-CG 3.28Å; L462-R466 WeakPolarHBondContact O-CG 3.32Å; L462-R466 PolarHBondContact O-N 3Å; N463-R466 PolarHBondContact OD1-NH1 3.26Å; N463-R466 VanDerWaalsContact OD1-NH1 3.16Å; R466-A470 WeakPolarHBondContact O-CB 3.32Å; R466-A470 PolarHBondContact O-N 2.91Å
467H94.3Very high93.3Very high112 Ų11257.1 Ų57.152%0.51930%0.301SS..Hα-helixtrans-66.2-45.1177.3-175.864.1000112.4N463 Q464 L465 A470 K471N463-H467 PolarHBondContact O-N 2.88Å; N463-H467 VanDerWaalsContact O-N 3.1Å; Q464-H467 WeakPolarHBondContact O-CB 3.28Å; Q464-H467 PolarHBondContact O-N 2.86Å; L465-H467 PolarHBondContact O-N 3.11Å; H467-A470 PolarHBondContact O-N 3.29Å; H467-K471 WeakPolarHBondContact NE2-CE 3.33Å; H467-K471 PolarHBondContact NE2-NZ 3.45Å; H467-K471 WeakPolarHBondContact O-CG 3.23Å; H467-K471 PolarHBondContact O-N 2.8Å; H467-K471 VanDerWaalsContact O-N 3.17Å
468S93.2Very high93.3Very high18 Ų1853.3 Ų53.313%0.12628%0.281CS..Hα-helixtrans-63.2-50176.2-73.80000112.4Q464 L465 A470 K471 G472 D473 Y476Q464-S468 PolarHBondContact O-N 3.26Å; L465-S468 PolarHBondContact O-N 3.31Å; S468-A470 VanDerWaalsContact C-N 3.26Å; S468-A470 PolarHBondContact O-N 2.77Å; S468-K471 WeakPolarHBondContact O-CB 3.22Å; S468-K471 PolarHBondContact O-N 3.3Å; S468-G472 PolarHBondContact O-N 2.99Å; S468-D473 WeakPolarHBondContact O-CB 2.99Å; S468-D473 PolarHBondContact O-N 2.97Å; S468-D473 VanDerWaalsContact O-N 3.17Å; S468-Y476 WeakPolarHBondContact OG-CD1 2.99Å
469H94.3Very high93.2Very high11 Ų1153.4 Ų53.45%0.05128%0.28CS..Hα-helixtrans-61.9-34175.9-81.3-91.1000112.5A412 M415 E416 L465 K471 G472 D473 I474 Y476A412-H469 PolarHBondContact O-CE1 3.44Å; A412-H469 VanDerWaalsContact O-CE1 3.26Å; M415-H469 WeakPolarHBondContact CB-NE2 3.19Å; E416-H469 IonicContact OE2-CE1 3.15Å; E416-H469 IonicContact OE2-CG 3.56Å; E416-H469 IonicContact OE2-ND1 2.75Å; E416-H469 PolarHBondContact OE2-ND1 3.49Å; L465-H469 PolarHBondContact O-CD2 3.12Å; L465-H469 VanDerWaalsContact O-CD2 3.28Å; L465-H469 PolarHBondContact O-N 2.87Å; H469-K471 VanDerWaalsContact C-N 3.28Å; H469-K471 PolarHBondContact O-N 3.24Å; H469-G472 PolarHBondContact O-N 3.47Å; H469-G472 VanDerWaalsContact O-N 3.16Å; H469-D473 PolarHBondContact ND1-O 3.23Å; H469-I474 PolarHBondContact CE1-O 2.89Å; H469-I474 VanDerWaalsContact CE1-O 3.3Å; H469-Y476 PolarHBondContact NE2-O 3.22Å
470A92.1Very high92.9Very high72 Ų7250 Ų5060%0.59526%0.258SS*.Hα-helixtrans-65.5-30174.700000113R466 H467 S468 G472R466-A470 WeakPolarHBondContact O-CB 3.32Å; R466-A470 PolarHBondContact O-N 2.91Å; H467-A470 PolarHBondContact O-N 3.29Å; S468-A470 VanDerWaalsContact C-N 3.26Å; S468-A470 PolarHBondContact O-N 2.77Å; A470-G472 VanDerWaalsContact C-N 3.3Å
471K92.5Very high92.4Very high143 Ų14352.5 Ų52.562%0.62227%0.269SS*.Hα-helixtrans-75.4-16.4173.6-71.3174.8175.8178.80113.8H467 S468 H469H467-K471 WeakPolarHBondContact NE2-CE 3.33Å; H467-K471 PolarHBondContact NE2-NZ 3.45Å; H467-K471 WeakPolarHBondContact O-CG 3.23Å; H467-K471 PolarHBondContact O-N 2.8Å; H467-K471 VanDerWaalsContact O-N 3.17Å; S468-K471 WeakPolarHBondContact O-CB 3.22Å; S468-K471 PolarHBondContact O-N 3.3Å; H469-K471 VanDerWaalsContact C-N 3.28Å; H469-K471 PolarHBondContact O-N 3.24Å
472G90.5Very high92Very high49 Ų4958.6 Ų58.651%0.50529%0.294SS..THydrogen-bonded Turntrans112.35.7-179.500000114.6S468 H469 A470 I474S468-G472 PolarHBondContact O-N 2.99Å; H469-G472 PolarHBondContact O-N 3.47Å; H469-G472 VanDerWaalsContact O-N 3.16Å; A470-G472 VanDerWaalsContact C-N 3.3Å; G472-I474 PolarHBondContact O-N 2.94Å
473D91.7Very high91.7Very high56 Ų5663 Ų6330%0.29932%0.315SS..  trans-79.387178.9-58.2-38000110.6S468 H469 W475 Y476S468-D473 WeakPolarHBondContact O-CB 2.99Å; S468-D473 PolarHBondContact O-N 2.97Å; S468-D473 VanDerWaalsContact O-N 3.17Å; H469-D473 PolarHBondContact ND1-O 3.23Å; D473-W475 PolarHBondContact O-N 3.04Å; D473-Y476 HydrophobicContact CB-CD1 4.21Å; D473-Y476 HydrophobicContact CB-CD2 3.52Å; D473-Y476 HydrophobicContact CB-CE1 4.49Å; D473-Y476 HydrophobicContact CB-CE2 3.82Å; D473-Y476 HydrophobicContact CB-CG 3.73Å
474I93Very high91.4Very high46 Ų4661.2 Ų61.224%0.23631%0.308CS..THydrogen-bonded Turntrans-71.9-22.1-17059.2171.4000115.3E416 H469 G472E416-I474 HydrophobicContact CG-CB 4.45Å; E416-I474 HydrophobicContact CG-CG2 4.43Å; H469-I474 PolarHBondContact CE1-O 2.89Å; H469-I474 VanDerWaalsContact CE1-O 3.3Å; G472-I474 PolarHBondContact O-N 2.94Å
475W93.8Very high91.3Very high68 Ų6858 Ų5826%0.25830%0.295SS..THydrogen-bonded Turntrans-107.19.1-175.4-60.8-39.8000113.6C142 A408 D473 G477 D487 N488 F489C142-W475 WeakPolarHBondContact SG-CZ2 3.35Å; A408-W475 HydrophobicContact CB-CB 3.81Å; A408-W475 HydrophobicContact CB-CG 4.01Å; D473-W475 PolarHBondContact O-N 3.04Å; W475-G477 PolarHBondContact O-N 3.39Å; W475-D487 WeakPolarHBondContact CB-OD1 3.04Å; W475-N488 PolarHBondContact O-N 2.64Å; W475-F489 HydrophobicContact CB-CB 3.77Å; W475-F489 HydrophobicContact CD2-CB 3.76Å; W475-F489 HydrophobicContact CD2-CD2 4.38Å; W475-F489 AromaticContact CD2-CG 3.98Å; W475-F489 HydrophobicContact CD2-CG 3.98Å; W475-F489 HydrophobicContact CE3-CB 3.85Å; W475-F489 HydrophobicContact CE3-CD1 4.18Å; W475-F489 HydrophobicContact CE3-CG 4.06Å; W475-F489 HydrophobicContact CG-CB 3.74Å; W475-F489 HydrophobicContact CG-CG 4.32Å; W475-F489 HydrophobicContact CZ3-CD1 4.25Å
476Y94.8Very high91.2Very high69 Ų6959 Ų5927%0.27130%0.301SS..EExtended strand (participates in β ladder)trans-71.5126.5177.4-88.1-135.7000109.8A412 S468 H469 D473 V485 C486 D487A412-Y476 WeakPolarHBondContact CA-O 3.31Å; A412-Y476 VanDerWaalsContact CB-O 3.27Å; A412-Y476 WeakPolarHBondContact CB-O 3.29Å; S468-Y476 WeakPolarHBondContact OG-CD1 2.99Å; H469-Y476 PolarHBondContact NE2-O 3.22Å; D473-Y476 HydrophobicContact CB-CD1 4.21Å; D473-Y476 HydrophobicContact CB-CD2 3.52Å; D473-Y476 HydrophobicContact CB-CE1 4.49Å; D473-Y476 HydrophobicContact CB-CE2 3.82Å; D473-Y476 HydrophobicContact CB-CG 3.73Å; Y476-V485 HydrophobicContact CD1-CG1 3.68Å; Y476-V485 HydrophobicContact CG-CG1 4.33Å; Y476-C486 CarbonylContact C-O 3.6Å; Y476-C486 WeakPolarHBondContact CA-O 3.37Å; Y476-D487 HydrophobicContact CD2-CB 3.97Å; Y476-D487 HydrophobicContact CE2-CB 3.77Å
477G93.7Very high91.1Very high0 Ų056 Ų560%029%0.292CS..EExtended strand (participates in β ladder)trans-141.2-172.5179.200000111.6W475 V485 C486 N488W475-G477 PolarHBondContact O-N 3.39Å; G477-V485 WeakPolarHBondContact O-CA 3.31Å; G477-C486 PolarHBondContact N-O 2.81Å; G477-C486 PolarHBondContact O-N 3.23Å; G477-N488 WeakPolarHBondContact CA-ND2 3.26Å
478V92.9Very high91Very high6 Ų650.7 Ų50.74%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-83.1118.6176.8-173.30000108.5G410 P447 L456 I461 L465 I480G410-V478 PolarHBondContact O-N 3.47Å; P447-V478 HydrophobicContact CB-CG2 4.12Å; L456-V478 HydrophobicContact CD1-CG1 4.43Å; I461-V478 HydrophobicContact CG2-CG1 4.49Å; I461-V478 HydrophobicContact CG2-CG2 3.88Å; L465-V478 HydrophobicContact CD1-CG2 3.73Å; V478-I480 HydrophobicContact CG1-CG1 4.24Å
479N90.2Very high90.8Very high16 Ų1651.4 Ų51.49%0.08627%0.269CS..EExtended strand (participates in β ladder)trans-99.3110168.4-175.3-33.4000109.7E481 K482 E483 C484 C486N479-E481 PolarHBondContact OD1-N 3.11Å; N479-K482 PolarHBondContact OD1-N 3.49Å; N479-K482 VanDerWaalsContact OD1-N 3.12Å; N479-E483 WeakPolarHBondContact O-CA 3.43Å; N479-E483 PolarHBondContact O-N 3.35Å; N479-C484 PolarHBondContact N-O 3.42Å; N479-C484 PolarHBondContact O-N 2.8Å; N479-C486 WeakPolarHBondContact CB-SG 3.19Å; N479-C486 PolarHBondContact ND2-SG 3.32Å
480I86.2Confident90.4Very high15 Ų1558.7 Ų58.78%0.07730%0.303CS..THydrogen-bonded Turntrans-74.5-25.5-174.8-67.7160.6000112.2P43 R44 L450 A454 V478P43-I480 HydrophobicContact CB-CD1 4Å; P43-I480 HydrophobicContact CB-CG2 4.46Å; P43-I480 HydrophobicContact CG-CD1 3.58Å; R44-I480 HydrophobicContact CB-CG2 4.49Å; R44-I480 HydrophobicContact CG-CG2 3.78Å; L450-I480 HydrophobicContact CD2-CD1 4.35Å; A454-I480 HydrophobicContact CB-CG1 4.28Å; A454-I480 HydrophobicContact CB-CG2 3.98Å; V478-I480 HydrophobicContact CG1-CG1 4.24Å
481E83.9Confident90.2Very high144 Ų14457.8 Ų57.867%0.67329%0.292SS*.THydrogen-bonded Turntrans-74.6-38.9177.9-65.4-178.4178.200111.4K173 N479K173-E481 IonicContact NZ-OE1 2.97Å; K173-E481 PolarHBondContact NZ-OE1 3.26Å; K173-E481 VanDerWaalsContact NZ-OE1 3.16Å; N479-E481 PolarHBondContact OD1-N 3.11Å
482K85.7Confident89.8Confident140 Ų14051.4 Ų51.461%0.60927%0.267SS*.THydrogen-bonded Turntrans-93-7.3179.1-64.3-179.5-178.2171.40114.1N479 C484N479-K482 PolarHBondContact OD1-N 3.49Å; N479-K482 VanDerWaalsContact OD1-N 3.12Å; K482-C484 VanDerWaalsContact CB-SG 3.53Å; K482-C484 PolarHBondContact O-N 2.85Å
483E86.9Confident89.7Confident98 Ų9851 Ų5146%0.45826%0.255SS..THydrogen-bonded Turntrans54.436.4-178.4-59.2-172.4168.300112.7R44 L456 N479R44-E483 IonicContact CZ-OE1 3.96Å; R44-E483 IonicContact NH1-OE1 3.99Å; R44-E483 PolarHBondContact NH1-OE1 3.5Å; R44-E483 IonicContact NH2-OE1 2.73Å; L456-E483 HydrophobicContact CD1-CB 4.3Å; L456-E483 HydrophobicContact CD1-CG 4.48Å; L456-E483 HydrophobicContact CD2-CB 3.62Å; L456-E483 HydrophobicContact CD2-CG 3.73Å; N479-E483 WeakPolarHBondContact O-CA 3.43Å; N479-E483 PolarHBondContact O-N 3.35Å
484C88.4Confident89.6Confident46 Ų4649.9 Ų49.931%0.31125%0.246SC..EExtended strand (participates in β ladder)trans-145.4168-17673.50000112.4N479 K482N479-C484 PolarHBondContact N-O 3.42Å; N479-C484 PolarHBondContact O-N 2.8Å; K482-C484 VanDerWaalsContact CB-SG 3.53Å; K482-C484 PolarHBondContact O-N 2.85Å
485V91.3Very high89.5Confident23 Ų2349 Ų4914%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-80.2124.5169.8177.70000109.1I461 Q464 L465 Y476 G477I461-V485 HydrophobicContact CD1-CG2 4.46Å; I461-V485 HydrophobicContact CG2-CG2 3.91Å; Q464-V485 HydrophobicContact CB-CG2 3.88Å; L465-V485 HydrophobicContact CD2-CB 4.24Å; L465-V485 HydrophobicContact CD2-CG1 3.47Å; L465-V485 VanDerWaalsContact CD2-CG1 3.47Å; L465-V485 HydrophobicContact CD2-CG2 3.81Å; L465-V485 HydrophobicContact CG-CG1 4.2Å; L465-V485 HydrophobicContact CG-CG2 3.71Å; Y476-V485 HydrophobicContact CD1-CG1 3.68Å; Y476-V485 HydrophobicContact CG-CG1 4.33Å; G477-V485 WeakPolarHBondContact O-CA 3.31Å
486C91.3Very high89.3Confident20 Ų2045.9 Ų45.914%0.13523%0.229CC..EExtended strand (participates in β ladder)trans-14717117371.40000112Y476 G477 N479 N488Y476-C486 CarbonylContact C-O 3.6Å; Y476-C486 WeakPolarHBondContact CA-O 3.37Å; G477-C486 PolarHBondContact N-O 2.81Å; G477-C486 PolarHBondContact O-N 3.23Å; N479-C486 WeakPolarHBondContact CB-SG 3.19Å; N479-C486 PolarHBondContact ND2-SG 3.32Å; C486-N488 PolarHBondContact O-N 2.84Å; C486-N488 VanDerWaalsContact O-N 3.12Å
487D93.1Very high89.2Confident24 Ų2443.1 Ų43.113%0.12822%0.221CC..EExtended strand (participates in β ladder)trans-66.2109.9170.8-165-42.5000110.3W475 Y476 F489 E490 S491W475-D487 WeakPolarHBondContact CB-OD1 3.04Å; Y476-D487 HydrophobicContact CD2-CB 3.97Å; Y476-D487 HydrophobicContact CE2-CB 3.77Å; D487-F489 VanDerWaalsContact C-N 3.33Å; D487-F489 WeakPolarHBondContact OD1-CA 3.34Å; D487-F489 WeakPolarHBondContact OD1-CB 3.19Å; D487-F489 PolarHBondContact OD1-N 3.11Å; D487-E490 HydrophobicContact CB-CB 4.15Å; D487-E490 HydrophobicContact CB-CG 4.15Å; D487-E490 PolarHBondContact OD1-N 3.23Å; D487-S491 WeakPolarHBondContact O-CB 3.28Å; D487-S491 PolarHBondContact O-N 2.82Å; D487-S491 VanDerWaalsContact O-N 3.13Å; D487-S491 PolarHBondContact O-OG 3.23Å
488N91.8Very high89.1Confident1 Ų145 Ų451%0.00523%0.231CC..THydrogen-bonded Turntrans-77.4-23.2-179.7-83.3-2.2000111.9A408 G409 W475 G477 C486 G492 V493A408-N488 HydrophobicContact CB-CB 4.23Å; G409-N488 PolarHBondContact O-ND2 2.97Å; W475-N488 PolarHBondContact O-N 2.64Å; G477-N488 WeakPolarHBondContact CA-ND2 3.26Å; C486-N488 PolarHBondContact O-N 2.84Å; C486-N488 VanDerWaalsContact O-N 3.12Å; N488-G492 PolarHBondContact O-N 3.35Å; N488-V493 HydrophobicContact CB-CB 4.18Å; N488-V493 PolarHBondContact O-N 3.28Å
489F87.9Confident89Confident33 Ų3345 Ų4515%0.14523%0.23CC..THydrogen-bonded Turntrans-69.8-46.2173.5-163.1-92.7000110.2C142 A408 W475 D487 S491 G492 W494C142-F489 HydrophobicContact CB-CE2 3.95Å; C142-F489 HydrophobicContact CB-CZ 3.95Å; A408-F489 HydrophobicContact CB-CB 4.25Å; W475-F489 HydrophobicContact CB-CB 3.77Å; W475-F489 HydrophobicContact CD2-CB 3.76Å; W475-F489 HydrophobicContact CD2-CD2 4.38Å; W475-F489 AromaticContact CD2-CG 3.98Å; W475-F489 HydrophobicContact CD2-CG 3.98Å; W475-F489 HydrophobicContact CE3-CB 3.85Å; W475-F489 HydrophobicContact CE3-CD1 4.18Å; W475-F489 HydrophobicContact CE3-CG 4.06Å; W475-F489 HydrophobicContact CG-CB 3.74Å; W475-F489 HydrophobicContact CG-CG 4.32Å; W475-F489 HydrophobicContact CZ3-CD1 4.25Å; D487-F489 VanDerWaalsContact C-N 3.33Å; D487-F489 WeakPolarHBondContact OD1-CA 3.34Å; D487-F489 WeakPolarHBondContact OD1-CB 3.19Å; D487-F489 PolarHBondContact OD1-N 3.11Å; F489-S491 VanDerWaalsContact C-N 3.29Å; F489-S491 PolarHBondContact O-N 3.21Å; F489-G492 PolarHBondContact O-N 3.45Å; F489-G492 VanDerWaalsContact O-N 3.13Å; F489-W494 HydrophobicContact CD1-CZ2 4.17Å; F489-W494 AromaticContact CD2-NE1 3.86Å; F489-W494 HydrophobicContact CE1-CH2 4.25Å; F489-W494 AromaticContact CE1-CZ2 3.7Å; F489-W494 HydrophobicContact CE1-CZ2 3.7Å; F489-W494 HydrophobicContact CE2-CD2 4.19Å; F489-W494 AromaticContact CE2-CE2 3.95Å; F489-W494 HydrophobicContact CE2-CZ2 4.19Å; F489-W494 AromaticContact CG-NE1 3.91Å; F489-W494 HydrophobicContact CZ-CD2 4.46Å; F489-W494 AromaticContact CZ-CE2 3.96Å; F489-W494 AromaticContact CZ-CH2 4Å; F489-W494 HydrophobicContact CZ-CH2 4Å; F489-W494 AromaticContact CZ-CZ2 3.71Å; F489-W494 HydrophobicContact CZ-CZ2 3.71Å; F489-W494 HydrophobicContact CZ-CZ3 4.44Å; F489-W494 PolarHBondContact O-NE1 3.1Å
490E87.8Confident89.1Confident164 Ų16444.9 Ų44.977%0.76623%0.229SC*.THydrogen-bonded Turntrans-65-35.1174.2-67.9-169.5160.900112.4D487 G492D487-E490 HydrophobicContact CB-CB 4.15Å; D487-E490 HydrophobicContact CB-CG 4.15Å; D487-E490 PolarHBondContact OD1-N 3.23Å; E490-G492 PolarHBondContact O-N 2.79Å; E490-G492 VanDerWaalsContact O-N 3.16Å
491S86.3Confident89.5Confident52 Ų5245.3 Ų45.336%0.36423%0.234SC..THydrogen-bonded Turntrans-70.2-5.2176.6-58.10000113.8D487 F489D487-S491 WeakPolarHBondContact O-CB 3.28Å; D487-S491 PolarHBondContact O-N 2.82Å; D487-S491 VanDerWaalsContact O-N 3.13Å; D487-S491 PolarHBondContact O-OG 3.23Å; F489-S491 VanDerWaalsContact C-N 3.29Å; F489-S491 PolarHBondContact O-N 3.21Å
492G84.7Confident90Very high10 Ų1039.7 Ų39.710%0.10321%0.208CC..THydrogen-bonded Turntrans77.718178.600000114.8N488 F489 E490 W494N488-G492 PolarHBondContact O-N 3.35Å; F489-G492 PolarHBondContact O-N 3.45Å; F489-G492 VanDerWaalsContact O-N 3.13Å; E490-G492 PolarHBondContact O-N 2.79Å; E490-G492 VanDerWaalsContact O-N 3.16Å; G492-W494 VanDerWaalsContact C-CD1 3.43Å; G492-W494 PolarHBondContact O-N 3.19Å
493V89.5Confident90.4Very high41 Ų4133.2 Ų33.225%0.24818%0.181CC..  trans-88.982.8177.5-175.70000108.8T162 G409 N488T162-V493 HydrophobicContact CG2-CG1 3.94Å; G409-V493 PolarHBondContact N-O 3.41Å; N488-V493 HydrophobicContact CB-CB 4.18Å; N488-V493 PolarHBondContact O-N 3.28Å
494W89.1Confident90.8Very high32 Ų3228.8 Ų28.812%0.12116%0.16CC..EExtended strand (participates in β ladder)trans-111136.4-170.9-61.28.9000110.1I144 L155 F489 G492I144-W494 HydrophobicContact CD1-CE3 3.83Å; I144-W494 HydrophobicContact CD1-CH2 3.96Å; I144-W494 HydrophobicContact CD1-CZ3 3.19Å; L155-W494 HydrophobicContact CD1-CD2 4.29Å; L155-W494 HydrophobicContact CD1-CE3 3.08Å; L155-W494 HydrophobicContact CD1-CZ3 3.27Å; L155-W494 HydrophobicContact CG-CE3 4.5Å; L155-W494 HydrophobicContact CG-CZ3 4.39Å; F489-W494 HydrophobicContact CD1-CZ2 4.17Å; F489-W494 AromaticContact CD2-NE1 3.86Å; F489-W494 HydrophobicContact CE1-CH2 4.25Å; F489-W494 AromaticContact CE1-CZ2 3.7Å; F489-W494 HydrophobicContact CE1-CZ2 3.7Å; F489-W494 HydrophobicContact CE2-CD2 4.19Å; F489-W494 AromaticContact CE2-CE2 3.95Å; F489-W494 HydrophobicContact CE2-CZ2 4.19Å; F489-W494 AromaticContact CG-NE1 3.91Å; F489-W494 HydrophobicContact CZ-CD2 4.46Å; F489-W494 AromaticContact CZ-CE2 3.96Å; F489-W494 AromaticContact CZ-CH2 4Å; F489-W494 HydrophobicContact CZ-CH2 4Å; F489-W494 AromaticContact CZ-CZ2 3.71Å; F489-W494 HydrophobicContact CZ-CZ2 3.71Å; F489-W494 HydrophobicContact CZ-CZ3 4.44Å; F489-W494 PolarHBondContact O-NE1 3.1Å; G492-W494 VanDerWaalsContact C-CD1 3.43Å; G492-W494 PolarHBondContact O-N 3.19Å
495E89.6Confident91.2Very high26 Ų2629.5 Ų29.512%0.12116%0.16CC..EExtended strand (participates in β ladder)trans-125.2139.7176.2-67.4176.6-151.800109T162 F406 V407 G409 A497 K500T162-E495 HydrophobicContact CG2-CG 4.04Å; F406-E495 WeakPolarHBondContact CA-O 3.46Å; V407-E495 PolarHBondContact N-O 2.91Å; V407-E495 PolarHBondContact O-N 2.89Å; G409-E495 WeakPolarHBondContact CA-OE1 3.47Å; E495-A497 PolarHBondContact O-N 3.01Å; E495-K500 IonicContact OE1-NZ 3.53Å; E495-K500 WeakPolarHBondContact OE2-CE 3.33Å; E495-K500 IonicContact OE2-NZ 2.85Å; E495-K500 PolarHBondContact OE2-NZ 3.33Å
496P90.4Very high91.4Very high3 Ų329.7 Ų29.72%0.01916%0.162CC..EExtended strand (participates in β ladder)trans-58.1133.6171.1-24.733.4000111.1V396 A400 F406 L498 V499V396-P496 HydrophobicContact CG1-CG 3.96Å; A400-P496 HydrophobicContact CB-CG 4.11Å; F406-P496 HydrophobicContact CE1-CG 4.41Å; P496-L498 PolarHBondContact O-N 3.25Å; P496-L498 VanDerWaalsContact O-N 3.08Å; P496-V499 HydrophobicContact CB-CG2 4.03Å; P496-V499 HydrophobicContact CG-CG2 4.22Å; P496-V499 WeakPolarHBondContact O-CB 3.48Å; P496-V499 PolarHBondContact O-N 3.18Å
497A92.5Very high91.6Very high11 Ų1128.7 Ų28.79%0.09116%0.156CC..Hα-helixtrans-56.8-29.8178.400000112.2A141 A405 V407 E495 V499 K500 S501A141-A497 HydrophobicContact CB-CB 4.16Å; A405-A497 HydrophobicContact CB-CB 3.89Å; A405-A497 WeakPolarHBondContact O-CB 3.49Å; A405-A497 PolarHBondContact O-N 2.81Å; V407-A497 HydrophobicContact CG1-CB 4.17Å; E495-A497 PolarHBondContact O-N 3.01Å; A497-V499 VanDerWaalsContact C-N 3.26Å; A497-V499 PolarHBondContact O-N 3.07Å; A497-K500 PolarHBondContact O-N 3.21Å; A497-S501 PolarHBondContact O-N 3.11Å; A497-S501 PolarHBondContact O-OG 3.38Å
498L90.8Very high91.8Very high41 Ų4127.6 Ų27.622%0.21515%0.15CC..Hα-helixtrans-56.2-36.9175-174.365.8000113.1R399 P496 K500 S501 N502R399-L498 HydrophobicContact CB-CD2 4.22Å; R399-L498 HydrophobicContact CG-CD2 4.24Å; P496-L498 PolarHBondContact O-N 3.25Å; P496-L498 VanDerWaalsContact O-N 3.08Å; L498-K500 VanDerWaalsContact C-N 3.34Å; L498-S501 WeakPolarHBondContact CA-OG 3.25Å; L498-S501 PolarHBondContact O-OG 3.46Å; L498-N502 WeakPolarHBondContact O-CB 3.38Å; L498-N502 PolarHBondContact O-N 3.13Å; L498-N502 PolarHBondContact O-OD1 3.46Å
499V91.4Very high91.9Very high4 Ų432.1 Ų32.12%0.02417%0.171CC..Hα-helixtrans-64.1-45.5-179.3-179.70000109.4V91 P496 A497 S503V91-V499 HydrophobicContact CG1-CB 3.93Å; V91-V499 HydrophobicContact CG1-CG1 4.06Å; V91-V499 HydrophobicContact CG1-CG2 3.3Å; P496-V499 HydrophobicContact CB-CG2 4.03Å; P496-V499 HydrophobicContact CG-CG2 4.22Å; P496-V499 WeakPolarHBondContact O-CB 3.48Å; P496-V499 PolarHBondContact O-N 3.18Å; A497-V499 VanDerWaalsContact C-N 3.26Å; A497-V499 PolarHBondContact O-N 3.07Å; V499-S503 WeakPolarHBondContact O-CB 3.13Å; V499-S503 PolarHBondContact O-N 3.09Å; V499-S503 PolarHBondContact O-OG 3.25Å
500K93.3Very high92.3Very high15 Ų1530.9 Ų30.97%0.06517%0.167CC..Hα-helixtrans-69.3-44.1179-63.3-55.5-169.1-164.60112.1L137 V407 E414 E495 A497 L498 N502 S503 I504L137-K500 HydrophobicContact CD1-CB 4Å; L137-K500 HydrophobicContact CD2-CB 3.68Å; V407-K500 HydrophobicContact CG2-CG 3.89Å; E414-K500 VanDerWaalsContact OE1-CE 3.25Å; E414-K500 WeakPolarHBondContact OE1-CE 3.41Å; E414-K500 IonicContact OE1-NZ 2.68Å; E414-K500 PolarHBondContact OE1-NZ 3.38Å; E414-K500 IonicContact OE2-NZ 3.26Å; E495-K500 IonicContact OE1-NZ 3.53Å; E495-K500 WeakPolarHBondContact OE2-CE 3.33Å; E495-K500 IonicContact OE2-NZ 2.85Å; E495-K500 PolarHBondContact OE2-NZ 3.33Å; A497-K500 PolarHBondContact O-N 3.21Å; L498-K500 VanDerWaalsContact C-N 3.34Å; K500-N502 PolarHBondContact O-N 3.21Å; K500-S503 PolarHBondContact O-N 3.24Å; K500-I504 WeakPolarHBondContact O-CD1 3.31Å; K500-I504 VanDerWaalsContact O-CG1 3.24Å; K500-I504 WeakPolarHBondContact O-CG1 3.27Å; K500-I504 PolarHBondContact O-N 3.36Å
501S94Very high92.7Very high24 Ų2423.1 Ų23.117%0.16813%0.131CC..Hα-helixtrans-60.3-47.7178.759.40000111.4A497 L498 S503 I504 I505A497-S501 PolarHBondContact O-N 3.11Å; A497-S501 PolarHBondContact O-OG 3.38Å; L498-S501 WeakPolarHBondContact CA-OG 3.25Å; L498-S501 PolarHBondContact O-OG 3.46Å; S501-S503 VanDerWaalsContact C-N 3.31Å; S501-S503 PolarHBondContact O-N 3.01Å; S501-I504 PolarHBondContact O-N 2.95Å; S501-I505 VanDerWaalsContact O-CG1 3.32Å; S501-I505 WeakPolarHBondContact O-CG1 3.19Å; S501-I505 PolarHBondContact O-N 2.88Å
502N93.7Very high93.1Very high25 Ų2520.9 Ų20.913%0.13412%0.115CC..Hα-helixtrans-65.4-37.6179.7-7519000111.4E90 V91 L498 K500 S506E90-N502 PolarHBondContact OE2-ND2 2.86Å; V91-N502 HydrophobicContact CG2-CB 4.04Å; V91-N502 WeakPolarHBondContact CG2-ND2 3.36Å; L498-N502 WeakPolarHBondContact O-CB 3.38Å; L498-N502 PolarHBondContact O-N 3.13Å; L498-N502 PolarHBondContact O-OD1 3.46Å; K500-N502 PolarHBondContact O-N 3.21Å; N502-S506 WeakPolarHBondContact O-CB 3.43Å; N502-S506 PolarHBondContact O-N 3.38Å; N502-S506 PolarHBondContact O-OG 2.94Å
503S94.4Very high93.6Very high5 Ų524.7 Ų24.74%0.03513%0.133CC..Hα-helixtrans-62.2-43.6175.4-61.10000111.8V98 V499 K500 S501 A507V98-S503 WeakPolarHBondContact CG2-O 3.3Å; V499-S503 WeakPolarHBondContact O-CB 3.13Å; V499-S503 PolarHBondContact O-N 3.09Å; V499-S503 PolarHBondContact O-OG 3.25Å; K500-S503 PolarHBondContact O-N 3.24Å; S501-S503 VanDerWaalsContact C-N 3.31Å; S501-S503 PolarHBondContact O-N 3.01Å; S503-A507 WeakPolarHBondContact O-CB 3.16Å; S503-A507 PolarHBondContact O-N 3.44Å
504I95.7Very high93.9Very high4 Ų423.1 Ų23.12%0.02112%0.123CC..Hα-helixtrans-65.2-48.3-179.9-67.4163.2000111.1E130 A133 L134 L137 L417 F443 K500 S501 T508E130-I504 HydrophobicContact CG-CG2 3.95Å; A133-I504 HydrophobicContact CB-CG2 4.39Å; L134-I504 HydrophobicContact CD2-CB 4.28Å; L134-I504 HydrophobicContact CD2-CD1 4.45Å; L134-I504 HydrophobicContact CD2-CG2 4.29Å; L134-I504 HydrophobicContact CG-CG2 4.43Å; L137-I504 HydrophobicContact CD2-CD1 4.17Å; L417-I504 HydrophobicContact CD1-CD1 3.59Å; F443-I504 HydrophobicContact CE1-CD1 4.44Å; F443-I504 HydrophobicContact CE1-CG1 3.94Å; F443-I504 HydrophobicContact CZ-CG1 4.29Å; F443-I504 HydrophobicContact CZ-CG2 4.4Å; K500-I504 WeakPolarHBondContact O-CD1 3.31Å; K500-I504 VanDerWaalsContact O-CG1 3.24Å; K500-I504 WeakPolarHBondContact O-CG1 3.27Å; K500-I504 PolarHBondContact O-N 3.36Å; S501-I504 PolarHBondContact O-N 2.95Å; I504-T508 WeakPolarHBondContact O-CB 3.44Å; I504-T508 PolarHBondContact O-N 3.18Å; I504-T508 PolarHBondContact O-OG1 3.43Å
505I96.2Very high94.1Very high61 Ų6121.7 Ų21.731%0.31312%0.117SC..Hα-helixtrans-61.1-54.3-180-65.5162.6000109.3E130 L134 S501 A507 T508 E509E130-I505 WeakPolarHBondContact OE1-CG1 3.22Å; L134-I505 HydrophobicContact CD1-CD1 4.01Å; L134-I505 HydrophobicContact CD1-CG1 3.7Å; L134-I505 HydrophobicContact CD2-CD1 4.3Å; L134-I505 HydrophobicContact CD2-CG1 4.14Å; L134-I505 HydrophobicContact CG-CG1 4.48Å; S501-I505 VanDerWaalsContact O-CG1 3.32Å; S501-I505 WeakPolarHBondContact O-CG1 3.19Å; S501-I505 PolarHBondContact O-N 2.88Å; I505-A507 PolarHBondContact O-N 3.19Å; I505-T508 PolarHBondContact O-N 2.92Å; I505-T508 VanDerWaalsContact O-N 3.14Å; I505-E509 HydrophobicContact CG2-CG 4.29Å; I505-E509 WeakPolarHBondContact O-CB 3.48Å; I505-E509 WeakPolarHBondContact O-CG 3.47Å; I505-E509 PolarHBondContact O-N 2.72Å
506S95.6Very high94.3Very high27 Ų2723.9 Ų23.919%0.18914%0.136CC..Hα-helixtrans-64.6-39-174.5-530000112.5N502 A510N502-S506 WeakPolarHBondContact O-CB 3.43Å; N502-S506 PolarHBondContact O-N 3.38Å; N502-S506 PolarHBondContact O-OG 2.94Å; S506-A510 VanDerWaalsContact O-CB 3.31Å; S506-A510 WeakPolarHBondContact O-CB 3.41Å; S506-A510 PolarHBondContact O-N 3.3Å; S506-A510 VanDerWaalsContact O-N 3.15Å
507A96.1Very high94.4Very high0 Ų026.1 Ų26.10%015%0.149CC..Hα-helixtrans-66.6-38.8175.300000112.5V98 L101 A102 F105 S503 I505 A511V98-A507 HydrophobicContact CG2-CB 4.17Å; L101-A507 HydrophobicContact CB-CB 3.84Å; A102-A507 HydrophobicContact CB-CB 4.02Å; F105-A507 HydrophobicContact CD2-CB 4.18Å; F105-A507 HydrophobicContact CE2-CB 3.82Å; S503-A507 WeakPolarHBondContact O-CB 3.16Å; S503-A507 PolarHBondContact O-N 3.44Å; I505-A507 PolarHBondContact O-N 3.19Å; A507-A511 WeakPolarHBondContact O-CB 3.28Å; A507-A511 PolarHBondContact O-N 3.43Å; A507-A511 VanDerWaalsContact O-N 3.1Å
508T96.5Very high94.3Very high0 Ų030.2 Ų30.20%017%0.17CC..Hα-helixtrans-69.4-47.9179-55.10000111.3F126 E130 M439 I504 I505 A510 A511 C512F126-T508 HydrophobicContact CB-CG2 4.15Å; E130-T508 HydrophobicContact CB-CG2 3.99Å; E130-T508 HydrophobicContact CG-CG2 4.19Å; E130-T508 WeakPolarHBondContact OE2-CG2 3.42Å; M439-T508 HydrophobicContact CE-CG2 4.48Å; I504-T508 WeakPolarHBondContact O-CB 3.44Å; I504-T508 PolarHBondContact O-N 3.18Å; I504-T508 PolarHBondContact O-OG1 3.43Å; I505-T508 PolarHBondContact O-N 2.92Å; I505-T508 VanDerWaalsContact O-N 3.14Å; T508-A510 VanDerWaalsContact C-N 3.28Å; T508-A510 PolarHBondContact O-N 2.96Å; T508-A511 PolarHBondContact O-N 3.46Å; T508-C512 WeakPolarHBondContact O-CB 3.4Å; T508-C512 PolarHBondContact O-N 2.88Å; T508-C512 PolarHBondContact O-SG 3.41Å
509E95.5Very high94.4Very high97 Ų9732.1 Ų32.145%0.45318%0.177SC..Hα-helixtrans-57.2-43.3178.1-76.7-63.515400111.6H127 I505 C512 L513H127-E509 IonicContact CE1-OE1 3.22Å; H127-E509 PolarHBondContact CE1-OE1 2.97Å; H127-E509 IonicContact ND1-OE1 3.35Å; I505-E509 HydrophobicContact CG2-CG 4.29Å; I505-E509 WeakPolarHBondContact O-CB 3.48Å; I505-E509 WeakPolarHBondContact O-CG 3.47Å; I505-E509 PolarHBondContact O-N 2.72Å; E509-C512 PolarHBondContact O-N 3.21Å; E509-L513 VanDerWaalsContact O-CB 3.31Å; E509-L513 WeakPolarHBondContact O-CB 3.38Å; E509-L513 PolarHBondContact O-N 3.3Å
510A95.3Very high94.3Very high7 Ų733.5 Ų33.56%0.05819%0.186CC..Hα-helixtrans-65.6-45176.900000114.3I83 A102 S506 T508 C512 L513 L514I83-A510 HydrophobicContact CD1-CB 2.99Å; I83-A510 HydrophobicContact CG1-CB 3.8Å; A102-A510 HydrophobicContact CB-CB 4.33Å; S506-A510 VanDerWaalsContact O-CB 3.31Å; S506-A510 WeakPolarHBondContact O-CB 3.41Å; S506-A510 PolarHBondContact O-N 3.3Å; S506-A510 VanDerWaalsContact O-N 3.15Å; T508-A510 VanDerWaalsContact C-N 3.28Å; T508-A510 PolarHBondContact O-N 2.96Å; A510-C512 VanDerWaalsContact C-N 3.29Å; A510-C512 PolarHBondContact O-N 3.04Å; A510-L513 PolarHBondContact O-N 3.09Å; A510-L514 WeakPolarHBondContact O-CB 3.43Å; A510-L514 WeakPolarHBondContact O-CG 3.03Å; A510-L514 PolarHBondContact O-N 2.95Å
511A95.9Very high94.1Very high0 Ų036.8 Ų36.80%020%0.203CC..Hα-helixtrans-61.2-43.4175.500000110.2F105 L106 A507 T508 L514 L515F105-A511 HydrophobicContact CB-CB 3.86Å; F105-A511 HydrophobicContact CD2-CB 4.4Å; L106-A511 HydrophobicContact CD2-CB 4.02Å; L106-A511 HydrophobicContact CG-CB 4.09Å; A507-A511 WeakPolarHBondContact O-CB 3.28Å; A507-A511 PolarHBondContact O-N 3.43Å; A507-A511 VanDerWaalsContact O-N 3.1Å; T508-A511 PolarHBondContact O-N 3.46Å; A511-L514 PolarHBondContact O-N 3.48Å; A511-L515 WeakPolarHBondContact O-CB 3.41Å; A511-L515 WeakPolarHBondContact O-CG 3.13Å; A511-L515 PolarHBondContact O-N 2.92Å
512C95.8Very high93.7Very high5 Ų541.8 Ų41.83%0.03422%0.222CC..Hα-helixtrans-64.8-42.6178.5-67.90000112.5V123 T508 E509 A510 L515 S516V123-C512 HydrophobicContact CG1-CB 3.94Å; V123-C512 HydrophobicContact CG2-CB 4.21Å; T508-C512 WeakPolarHBondContact O-CB 3.4Å; T508-C512 PolarHBondContact O-N 2.88Å; T508-C512 PolarHBondContact O-SG 3.41Å; E509-C512 PolarHBondContact O-N 3.21Å; A510-C512 VanDerWaalsContact C-N 3.29Å; A510-C512 PolarHBondContact O-N 3.04Å; C512-L515 PolarHBondContact O-N 3.41Å; C512-S516 WeakPolarHBondContact O-CB 3.44Å; C512-S516 PolarHBondContact O-N 3.26Å; C512-S516 PolarHBondContact O-OG 3.49Å
513L95.3Very high93.3Very high91 Ų9146 Ų4648%0.47624%0.244SC..Hα-helixtrans-57.9-50.5174.9178.564.9000110.5T79 E509 A510 L515 S516 V517T79-L513 HydrophobicContact CG2-CD2 4.33Å; E509-L513 VanDerWaalsContact O-CB 3.31Å; E509-L513 WeakPolarHBondContact O-CB 3.38Å; E509-L513 PolarHBondContact O-N 3.3Å; A510-L513 PolarHBondContact O-N 3.09Å; L513-L515 PolarHBondContact O-N 3.07Å; L513-S516 PolarHBondContact O-N 3.12Å; L513-S516 VanDerWaalsContact O-N 3.11Å; L513-S516 PolarHBondContact O-OG 2.97Å; L513-V517 PolarHBondContact O-N 3.16Å
514L94.1Very high92.5Very high8 Ų847.9 Ų47.94%0.04226%0.256CS..Hα-helixtrans-67.3-34.2-178.4-70.2175.4000113.3C30 A76 T79 L106 A510 A511 S516C30-L514 WeakPolarHBondContact SG-CD1 3.32Å; A76-L514 HydrophobicContact CB-CD2 3.57Å; T79-L514 HydrophobicContact CG2-CD2 4.06Å; L106-L514 HydrophobicContact CD1-CB 4.32Å; L106-L514 HydrophobicContact CD1-CD1 3.61Å; L106-L514 HydrophobicContact CD2-CB 4.16Å; A510-L514 WeakPolarHBondContact O-CB 3.43Å; A510-L514 WeakPolarHBondContact O-CG 3.03Å; A510-L514 PolarHBondContact O-N 2.95Å; A511-L514 PolarHBondContact O-N 3.48Å; L514-S516 VanDerWaalsContact C-N 3.28Å; L514-S516 PolarHBondContact O-N 3.28Å
515L94.2Very high91.4Very high1 Ų156.4 Ų56.41%0.00530%0.296CS..Hα-helixtrans-69.6-25172.9-71.2169.8000112.9I23 L106 A109 L113 P119 I122 V123 F126 A511 C512 L513I23-L515 HydrophobicContact CG2-CD2 4.14Å; L106-L515 HydrophobicContact CD2-CD1 4.31Å; L106-L515 HydrophobicContact CD2-CD2 4.06Å; L106-L515 HydrophobicContact CD2-CG 3.74Å; A109-L515 HydrophobicContact CB-CD1 4.26Å; A109-L515 HydrophobicContact CB-CD2 4.14Å; L113-L515 HydrophobicContact CD1-CD2 3.78Å; P119-L515 VanDerWaalsContact CB-O 3.25Å; P119-L515 WeakPolarHBondContact CB-O 3.39Å; I122-L515 HydrophobicContact CB-CD1 4.42Å; I122-L515 HydrophobicContact CG2-CD1 3.74Å; V123-L515 HydrophobicContact CG2-CB 4.03Å; F126-L515 HydrophobicContact CD2-CD1 4.17Å; F126-L515 HydrophobicContact CE2-CD1 3.96Å; A511-L515 WeakPolarHBondContact O-CB 3.41Å; A511-L515 WeakPolarHBondContact O-CG 3.13Å; A511-L515 PolarHBondContact O-N 2.92Å; C512-L515 PolarHBondContact O-N 3.41Å; L513-L515 PolarHBondContact O-N 3.07Å
516S92.9Very high89.9Confident73 Ų7358 Ų5851%0.5131%0.313SS..Hα-helixtrans-82-11.9179.573.60000114.2C512 L513 L514C512-S516 WeakPolarHBondContact O-CB 3.44Å; C512-S516 PolarHBondContact O-N 3.26Å; C512-S516 PolarHBondContact O-OG 3.49Å; L513-S516 PolarHBondContact O-N 3.12Å; L513-S516 VanDerWaalsContact O-N 3.11Å; L513-S516 PolarHBondContact O-OG 2.97Å; L514-S516 VanDerWaalsContact C-N 3.28Å; L514-S516 PolarHBondContact O-N 3.28Å
517V92.7Very high87.9Confident50 Ų5064 Ų6430%0.30334%0.335SS..  trans-94.599.6178.6-179.10000109.8L513 E519L513-V517 PolarHBondContact O-N 3.16Å; V517-E519 WeakPolarHBondContact CG1-O 3.07Å
518D91.8Very high85.6Confident97 Ų9766.5 Ų66.552%0.51936%0.361SS..  trans-92.5-17177.666.2-29.1000113.8Q18 G19 Q22 I23Q18-D518 CarbonylContact C-O 3.34Å; Q18-D518 VanDerWaalsContact CA-O 3.25Å; Q18-D518 WeakPolarHBondContact CA-O 3.42Å; G19-D518 PolarHBondContact N-O 3.3Å; Q22-D518 WeakPolarHBondContact CB-O 3.45Å; I23-D518 HydrophobicContact CD1-CB 4.37Å
519E92.2Very high83.2Confident81 Ų8171 Ų7138%0.37940%0.399SS..EExtended strand (participates in β ladder)trans-132.1132.6175.5-173.7176.2-171.100111.6S17 Q18 V517 I521S17-E519 WeakPolarHBondContact O-CA 3.49Å; Q18-E519 HydrophobicContact CB-CB 4.12Å; Q18-E519 HydrophobicContact CB-CG 3.96Å; V517-E519 WeakPolarHBondContact CG1-O 3.07Å; E519-I521 HydrophobicContact CG-CD1 4.48Å; E519-I521 HydrophobicContact CG-CG1 4.01Å
520T90.3Very high81.1Confident33 Ų3374.8 Ų74.820%0.20242%0.417CS..EExtended strand (participates in β ladder)trans-116.4121.2171.5-55.40000108.9S17 Q22 P75S17-T520 PolarHBondContact N-O 2.75Å; S17-T520 PolarHBondContact O-N 3.27Å; Q22-T520 PolarHBondContact NE2-OG1 3.08Å; P75-T520 HydrophobicContact CG-CG2 4.35Å
521I88.8Confident79Confident83 Ų8379.5 Ų79.543%0.42644%0.441SS..EExtended strand (participates in β ladder)trans-111.2117.4177.7-55.5175.5000108.8T14 E519T14-I521 HydrophobicContact CG2-CG2 3.54Å; E519-I521 HydrophobicContact CG-CD1 4.48Å; E519-I521 HydrophobicContact CG-CG1 4.01Å
522K85.7Confident76.8Confident130 Ų13086.2 Ų86.257%0.56548%0.477SS*.EExtended strand (participates in β ladder)trans-108.8108.4175.3-169.3177.8-1781790109.9T14 D15T14-K522 WeakPolarHBondContact CA-O 3.4Å; D15-K522 PolarHBondContact N-O 3.35Å; D15-K522 VanDerWaalsContact N-O 3.16Å; D15-K522 PolarHBondContact O-N 2.98Å
523N83.9Confident74.2Confident112 Ų11291 Ų9160%0.59951%0.506SS*.PPolyproline II helixtrans-76.9133.1173.4-72-39000110.3T14T14-N523 WeakPolarHBondContact CG2-OD1 3.45Å; T14-N523 PolarHBondContact OG1-OD1 3.06Å; T14-N523 VanDerWaalsContact OG1-OD1 3.12Å
524P77.3Confident71.8Confident45 Ų4592.4 Ų92.429%0.29252%0.52SS..PPolyproline II helixtrans-66.6144170.729.8-34.2000108.4K11 T14 S526K11-P524 HydrophobicContact CD-CG 4.5Å; T14-P524 WeakPolarHBondContact OG1-CD 3.35Å; P524-S526 PolarHBondContact O-N 2.98Å
525E74.2Confident69.7Low184 Ų18498.6 Ų98.686%0.8656%0.558SS**PPolyproline II helixtrans-52.4128.5171.8-70.3-173.7167.600108.9K527E525-K527 VanDerWaalsContact C-N 3.35Å; E525-K527 PolarHBondContact O-N 3.24Å
526S63.4Low67.5Low94 Ų94109.3 Ų109.366%0.65760%0.599SS**  trans-59.8103.3167.716.20000107.4P524 G528P524-S526 PolarHBondContact O-N 2.98Å; S526-G528 PolarHBondContact O-N 2.76Å
527K54.5Low65.6Low152 Ų152111.1 Ų111.166%0.66161%0.609SS**  trans-43.3118.6162.3-72.7-172161.4-141.80107.1E525 D531E525-K527 VanDerWaalsContact C-N 3.35Å; E525-K527 PolarHBondContact O-N 3.24Å; K527-D531 HydrophobicContact CB-CB 4.4Å; K527-D531 HydrophobicContact CD-CB 4.38Å; K527-D531 IonicContact NZ-OD2 2.85Å; K527-D531 PolarHBondContact NZ-OD2 3.4Å
528G47.6Very low63.4Low53 Ų53115.4 Ų115.455%0.54664%0.637SS.*  trans-52.4153177.800000109.9S526 E530 D531S526-G528 PolarHBondContact O-N 2.76Å; G528-E530 PolarHBondContact O-N 3.1Å; G528-D531 PolarHBondContact O-N 3.36Å
529A46.6Very low61.5Low95 Ų95114.1 Ų114.179%0.78565%0.647SS**G310 helixtrans-55.9-6.5-174.600000115.3
530E50.5Low59.5Low177 Ų177119.2 Ų119.283%0.82767%0.673SS**G310 helixtrans-77.2-24.8179.1-64.9-173.4157.600113.7G528 N532 T533G528-E530 PolarHBondContact O-N 3.1Å; E530-N532 VanDerWaalsContact C-N 3.31Å; E530-N532 PolarHBondContact O-N 3.13Å; E530-T533 PolarHBondContact O-OG1 2.85Å
531D51.6Low57.6Low106 Ų106129.2 Ų129.257%0.56771%0.707SS**G310 helixtrans-84.5-2.9-175.9-125.121.9000113.7K527 G528K527-D531 HydrophobicContact CB-CB 4.4Å; K527-D531 HydrophobicContact CD-CB 4.38Å; K527-D531 IonicContact NZ-OD2 2.85Å; K527-D531 PolarHBondContact NZ-OD2 3.4Å; G528-D531 PolarHBondContact O-N 3.36Å
532N48.9Very low55.5Low141 Ų141137.8 Ų137.875%0.75475%0.745SS**G310 helixtrans-100.515.1-179.3-87.8-14000113.9E530 P534E530-N532 VanDerWaalsContact C-N 3.31Å; E530-N532 PolarHBondContact O-N 3.13Å; N532-P534 WeakPolarHBondContact O-CD 3.49Å
533T41.9Very low54Low106 Ų106138.2 Ų138.265%0.6575%0.754SS**SBendtrans-73.6120.5167.342.10000109E530 V535E530-T533 PolarHBondContact O-OG1 2.85Å; T533-V535 PolarHBondContact O-N 2.86Å
534P45Very low52.4Low120 Ų120139.6 Ų139.678%0.77976%0.762SS**  trans-61.8116.7172.8-9.322.3000107.1N532 R536N532-P534 WeakPolarHBondContact O-CD 3.49Å; P534-R536 PolarHBondContact O-N 3.06Å
535V49.9Very low51.1Low138 Ų138144.8 Ų144.884%0.83679%0.788SS**  trans-55.3104.9167.7178.10000106.5T533T533-V535 PolarHBondContact O-N 2.86Å
536R47.3Very low49.7Very low226 Ų226142.5 Ų142.585%0.85378%0.784SS**  trans-60.5132173.9-110.3-177.2177.5-167.8-0.4107.4P534P534-R536 PolarHBondContact O-N 3.06Å
537P53.2Low48.8Very low111 Ų111145.6 Ų145.672%0.72179%0.792SS**  trans-58.5133.5174.3-15.727.3000109G539P537-G539 PolarHBondContact O-N 3.24Å
538P46.8Very low48.5Very low139 Ų139145.1 Ų145.190%0.90380%0.801SS**THydrogen-bonded Turntrans-68103175.226.6-30.3000108.2
539G52.8Low48.5Very low71 Ų71151.7 Ų151.773%0.73282%0.819SS**THydrogen-bonded Turntrans-179.1-9.7-178.100000119.5P537P537-G539 PolarHBondContact O-N 3.24Å
540M50.2Low48.7Very low187 Ų187156.1 Ų156.192%0.92182%0.822SS**  trans-114.397.3176.9-77.7-173.1172.400111.4
541R48.7Very low48.5Very low244 Ų244154.3 Ų154.392%0.92182%0.821SS**  trans-80.2125.3157.3-74.2-178.2174.1-174.7-2.2108.1
542H45.8Very low48.2Very low263 Ų263158.7 Ų158.7100%1.21884%0.844SS**  trans-123.90144.6-90-58.7000107.6

Retrieved 542 of 542 residues in 408.8 ms (Link to these results)

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