A0A087XLQ1_POEFO Loading...

Alpha-N-acetylneuraminide alpha-2,8-sialyltransferase

AlphaFold DB , UniProt , Accession A0A087XLQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.2Very low50.4Low244 Ų244164.1 Ų164.1100%1.20284%0.836SS**  0104.30-82.4172.7166.500108.3
2L38.1Very low52Low182 Ų182159.3 Ų159.395%0.95382%0.82SS**  trans-90.3121.7175.1-106.698.8000109.4R4L2-R4 PolarHBondContact O-N 3.36Å
3V43.4Very low53.2Low140 Ų140162.2 Ų162.285%0.84882%0.815SS**  trans-71.8114.7175.1177.80000108.9C5V3-C5 PolarHBondContact O-N 3.46Å
4R44.8Very low54.8Low239 Ų239153.5 Ų153.590%0.90278%0.781SS**  trans-79.5113.4171-103.4178.7172.8177-1.7109.1L2 C6L2-R4 PolarHBondContact O-N 3.36Å; R4-C6 PolarHBondContact O-N 3.49Å
5C41.4Very low56.1Low121 Ų121145.9 Ų145.982%0.81875%0.75SS**  trans-77.4115172.6-158.50000109.8V3 R7V3-C5 PolarHBondContact O-N 3.46Å; C5-R7 PolarHBondContact O-N 3.3Å
6C46.3Very low57.3Low118 Ų118142.1 Ų142.180%0.79773%0.731SS**  trans-71.2107.2172.4-88.50000110.2R4 V8R4-C6 PolarHBondContact O-N 3.49Å; C6-V8 PolarHBondContact O-N 3.22Å
7R51.3Low58.6Low240 Ų240138.4 Ų138.491%0.90672%0.719SS**  trans-77.4104.3164.6-85.8-172.9177.5-175.4-0109C5 K9C5-R7 PolarHBondContact O-N 3.3Å; R7-K9 PolarHBondContact O-N 3.22Å
8V57.4Low59.7Low132 Ų132136.2 Ų136.280%0.871%0.713SS**  trans-67.9111.3167.5-178.40000107.6C6 L10C6-V8 PolarHBondContact O-N 3.22Å; V8-L10 PolarHBondContact O-N 3.24Å
9K58.2Low60.6Low201 Ų201135.7 Ų135.787%0.87471%0.71SS**  trans-71.5110.7171.1-78.7-176.4177179.50107.7R7 S11R7-K9 PolarHBondContact O-N 3.22Å; K9-S11 PolarHBondContact O-N 3.24Å
10L58.5Low61.3Low122 Ų122132.5 Ų132.564%0.63970%0.696SS**  trans-59.5123.6169.2-147.580.9000107.7V8 V12 A14 A15V8-L10 PolarHBondContact O-N 3.24Å; L10-V12 PolarHBondContact O-N 3.04Å; L10-A14 HydrophobicContact CD2-CB 4.42Å; L10-A14 HydrophobicContact CG-CB 4.13Å; L10-A15 HydrophobicContact CD2-CB 4.31Å
11S76.3Confident61.9Low66 Ų66131.8 Ų131.846%0.46269%0.693SS.*  trans-54.7137.5175.4167.80000109.3K9 W13 A14 A15K9-S11 PolarHBondContact O-N 3.24Å; S11-W13 PolarHBondContact O-N 3.03Å; S11-W13 VanDerWaalsContact O-N 3.09Å; S11-W13 PolarHBondContact OG-N 3.41Å; S11-A14 WeakPolarHBondContact O-CA 3.3Å; S11-A14 WeakPolarHBondContact O-CB 3.39Å; S11-A14 PolarHBondContact O-N 3.45Å; S11-A15 PolarHBondContact O-N 2.86Å
12V69.9Low63.3Low106 Ų106121.6 Ų121.664%0.64265%0.65SS**Hα-helixtrans-53-33.2176.4176.80000110.9L10 A15 L16L10-V12 PolarHBondContact O-N 3.04Å; V12-A15 PolarHBondContact O-N 2.81Å; V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 WeakPolarHBondContact O-CB 3.45Å; V12-L16 PolarHBondContact O-N 3.36Å
13W68Low64.6Low197 Ų197120.7 Ų120.775%0.74663%0.634SS**Hα-helixtrans-67.6-36.5174.9-62.6100.9000113.5S11 C17S11-W13 PolarHBondContact O-N 3.03Å; S11-W13 VanDerWaalsContact O-N 3.09Å; S11-W13 PolarHBondContact OG-N 3.41Å; W13-C17 WeakPolarHBondContact O-CB 3.29Å; W13-C17 PolarHBondContact O-N 2.8Å
14A75.2Confident65.3Low41 Ų41119.6 Ų119.634%0.33962%0.618SS.*Hα-helixtrans-70.6-38.9175.300000111.1L10 S11 C17 V18L10-A14 HydrophobicContact CD2-CB 4.42Å; L10-A14 HydrophobicContact CG-CB 4.13Å; S11-A14 WeakPolarHBondContact O-CA 3.3Å; S11-A14 WeakPolarHBondContact O-CB 3.39Å; S11-A14 PolarHBondContact O-N 3.45Å; A14-C17 PolarHBondContact O-N 3.44Å; A14-V18 VanDerWaalsContact O-CG2 3.3Å; A14-V18 WeakPolarHBondContact O-CG2 3.43Å; A14-V18 PolarHBondContact O-N 3.09Å
15A74.1Confident66.1Low39 Ų39118.2 Ų118.232%0.32262%0.615SS.*Hα-helixtrans-64.4-42.2173.500000112.1L10 S11 V12 V18 L19L10-A15 HydrophobicContact CD2-CB 4.31Å; S11-A15 PolarHBondContact O-N 2.86Å; V12-A15 PolarHBondContact O-N 2.81Å; A15-V18 PolarHBondContact O-N 3.34Å; A15-L19 WeakPolarHBondContact O-CG 3.22Å; A15-L19 PolarHBondContact O-N 3.35Å
16L75.8Confident66.9Low86 Ų86117.3 Ų117.345%0.4561%0.605SS.*Hα-helixtrans-63.2-44.3174.3-85159.6000112.3V12 V18 L19 V20V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 WeakPolarHBondContact O-CB 3.45Å; V12-L16 PolarHBondContact O-N 3.36Å; L16-V18 VanDerWaalsContact C-N 3.35Å; L16-V18 PolarHBondContact O-N 3.46Å; L16-L19 PolarHBondContact O-N 2.87Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.15Å; L16-V20 PolarHBondContact O-N 3.25Å
17C79.2Confident67.1Low78 Ų78117.7 Ų117.753%0.52759%0.593SS.*Hα-helixtrans-60.5-42.8175.1-88.90000112.2W13 A14 L19 V20 L21W13-C17 WeakPolarHBondContact O-CB 3.29Å; W13-C17 PolarHBondContact O-N 2.8Å; A14-C17 PolarHBondContact O-N 3.44Å; C17-L19 VanDerWaalsContact C-N 3.33Å; C17-L19 PolarHBondContact O-N 3.49Å; C17-V20 PolarHBondContact O-N 2.98Å; C17-L21 VanDerWaalsContact O-CB 3.29Å; C17-L21 WeakPolarHBondContact O-CB 3.18Å; C17-L21 VanDerWaalsContact O-CG 3.22Å; C17-L21 WeakPolarHBondContact O-CG 3.35Å; C17-L21 PolarHBondContact O-N 2.9Å
18V78.3Confident67.3Low100 Ų100111.3 Ų111.361%0.60658%0.583SS**Hα-helixtrans-65.8-37.4177.2173.10000111.3A14 A15 L16 G22A14-V18 VanDerWaalsContact O-CG2 3.3Å; A14-V18 WeakPolarHBondContact O-CG2 3.43Å; A14-V18 PolarHBondContact O-N 3.09Å; A15-V18 PolarHBondContact O-N 3.34Å; L16-V18 VanDerWaalsContact C-N 3.35Å; L16-V18 PolarHBondContact O-N 3.46Å; V18-G22 WeakPolarHBondContact O-CA 3.29Å; V18-G22 PolarHBondContact O-N 2.93Å
19L77.3Confident67.4Low126 Ų126108.5 Ų108.566%0.6657%0.573SS**Hα-helixtrans-67-41.7174.6-74.6169.1000112.3A15 L16 C17 W23A15-L19 WeakPolarHBondContact O-CG 3.22Å; A15-L19 PolarHBondContact O-N 3.35Å; L16-L19 PolarHBondContact O-N 2.87Å; C17-L19 VanDerWaalsContact C-N 3.33Å; C17-L19 PolarHBondContact O-N 3.49Å; L19-W23 VanDerWaalsContact O-CB 3.26Å; L19-W23 WeakPolarHBondContact O-CB 3.46Å; L19-W23 PolarHBondContact O-N 2.83Å
20V74.4Confident67.7Low72 Ų72105.4 Ų105.444%0.43656%0.557SS.*Hα-helixtrans-68.3-45.8177.71720000111.1L16 C17 G22 W23 F24L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.15Å; L16-V20 PolarHBondContact O-N 3.25Å; C17-V20 PolarHBondContact O-N 2.98Å; V20-G22 VanDerWaalsContact C-N 3.35Å; V20-W23 WeakPolarHBondContact O-CB 3.39Å; V20-W23 PolarHBondContact O-N 2.8Å; V20-W23 VanDerWaalsContact O-N 3.13Å; V20-F24 HydrophobicContact CG1-CD2 3.89Å; V20-F24 HydrophobicContact CG1-CE2 3.67Å; V20-F24 WeakPolarHBondContact O-CD2 3.29Å; V20-F24 PolarHBondContact O-N 3.13Å
21L73.8Confident68.7Low118 Ų118107.3 Ų107.362%0.61856%0.556SS**Hα-helixtrans-65-40.1175.7-69.8171.2000111.4C17 W23 F24 Y25C17-L21 VanDerWaalsContact O-CB 3.29Å; C17-L21 WeakPolarHBondContact O-CB 3.18Å; C17-L21 VanDerWaalsContact O-CG 3.22Å; C17-L21 WeakPolarHBondContact O-CG 3.35Å; C17-L21 PolarHBondContact O-N 2.9Å; L21-W23 VanDerWaalsContact C-N 3.28Å; L21-W23 PolarHBondContact O-N 3.46Å; L21-F24 PolarHBondContact O-N 3.39Å; L21-Y25 VanDerWaalsContact O-CB 3.29Å; L21-Y25 WeakPolarHBondContact O-CB 3.37Å; L21-Y25 PolarHBondContact O-N 2.84Å
22G67.9Low69.1Low30 Ų30107 Ų10731%0.30955%0.549SS..Hα-helixtrans-62.2-36.2171.200000112V18 V20 Y25 V26V18-G22 WeakPolarHBondContact O-CA 3.29Å; V18-G22 PolarHBondContact O-N 2.93Å; V20-G22 VanDerWaalsContact C-N 3.35Å; G22-Y25 PolarHBondContact O-N 2.93Å; G22-V26 WeakPolarHBondContact O-CB 3.44Å; G22-V26 WeakPolarHBondContact O-CG2 3.26Å; G22-V26 PolarHBondContact O-N 3.32Å
23W64.1Low69.8Low162 Ų162104.1 Ų104.161%0.61453%0.532SS*.Hα-helixtrans-65.9-44175.3-16262.5000111.6L19 V20 L21 Y25 F27L19-W23 VanDerWaalsContact O-CB 3.26Å; L19-W23 WeakPolarHBondContact O-CB 3.46Å; L19-W23 PolarHBondContact O-N 2.83Å; V20-W23 WeakPolarHBondContact O-CB 3.39Å; V20-W23 PolarHBondContact O-N 2.8Å; V20-W23 VanDerWaalsContact O-N 3.13Å; L21-W23 VanDerWaalsContact C-N 3.28Å; L21-W23 PolarHBondContact O-N 3.46Å; W23-Y25 VanDerWaalsContact C-N 3.35Å; W23-Y25 PolarHBondContact O-N 3.49Å; W23-F27 AromaticContact CD1-CD2 3.5Å; W23-F27 VanDerWaalsContact CD1-CD2 3.5Å; W23-F27 AromaticContact CD1-CE2 3.87Å; W23-F27 HydrophobicContact CG-CD2 4.29Å; W23-F27 AromaticContact NE1-CD2 3.74Å; W23-F27 WeakPolarHBondContact O-CA 3.35Å; W23-F27 VanDerWaalsContact O-CB 3.26Å; W23-F27 WeakPolarHBondContact O-CB 3.19Å; W23-F27 PolarHBondContact O-N 2.98Å
24F59.1Low70.7Confident117 Ų11796.9 Ų96.951%0.51351%0.511SS..Hα-helixtrans-69.3-28.4174-75.9-70.5000114V20 L21V20-F24 HydrophobicContact CG1-CD2 3.89Å; V20-F24 HydrophobicContact CG1-CE2 3.67Å; V20-F24 WeakPolarHBondContact O-CD2 3.29Å; V20-F24 PolarHBondContact O-N 3.13Å; L21-F24 PolarHBondContact O-N 3.39Å
25Y61.1Low71.2Confident211 Ų21197.2 Ų97.283%0.82751%0.508SS*.Hα-helixtrans-81.9-36.8179-163.8-95.2000112.6L21 G22 W23L21-Y25 VanDerWaalsContact O-CB 3.29Å; L21-Y25 WeakPolarHBondContact O-CB 3.37Å; L21-Y25 PolarHBondContact O-N 2.84Å; G22-Y25 PolarHBondContact O-N 2.93Å; W23-Y25 VanDerWaalsContact C-N 3.35Å; W23-Y25 PolarHBondContact O-N 3.49Å
26V58.1Low71.8Confident101 Ų101102.3 Ų102.361%0.61252%0.523SS*.Hα-helixtrans-85.6-32.6179.4176.60000111.6G22 P28G22-V26 WeakPolarHBondContact O-CB 3.44Å; G22-V26 WeakPolarHBondContact O-CG2 3.26Å; G22-V26 PolarHBondContact O-N 3.32Å; V26-P28 WeakPolarHBondContact O-CD 3.26Å
27F51.7Low72.4Confident126 Ų126101.9 Ų101.955%0.55352%0.518SS*.SBendtrans-114.889.5172.8-60.4-87.2000108.3W23 A29W23-F27 AromaticContact CD1-CD2 3.5Å; W23-F27 VanDerWaalsContact CD1-CD2 3.5Å; W23-F27 AromaticContact CD1-CE2 3.87Å; W23-F27 HydrophobicContact CG-CD2 4.29Å; W23-F27 AromaticContact NE1-CD2 3.74Å; W23-F27 WeakPolarHBondContact O-CA 3.35Å; W23-F27 VanDerWaalsContact O-CB 3.26Å; W23-F27 WeakPolarHBondContact O-CB 3.19Å; W23-F27 PolarHBondContact O-N 2.98Å; F27-A29 PolarHBondContact O-N 2.91Å
28P55.6Low72.9Confident106 Ų10698.2 Ų98.269%0.68849%0.494SS*.  trans-52.1122165.3-0.65.2000106.5V26 Y30V26-P28 WeakPolarHBondContact O-CD 3.26Å; P28-Y30 PolarHBondContact O-N 3.01Å
29A58.7Low73.4Confident73 Ų7394.1 Ų94.160%0.60347%0.469SS*.  trans-53.6113.717900000107.4F27 R31F27-A29 PolarHBondContact O-N 2.91Å; A29-R31 PolarHBondContact O-N 2.88Å
30Y64.1Low74Confident136 Ų13694.6 Ų94.653%0.53347%0.467SS..  trans-56.5108.8175.2175.7-94.6000107.3P28 L32 G247P28-Y30 PolarHBondContact O-N 3.01Å; Y30-L32 HydrophobicContact CE1-CG 4.32Å; Y30-G247 PolarHBondContact OH-O 3.28Å
31R80.9Confident74.7Confident163 Ų16394.5 Ų94.562%0.61546%0.462SS*.  trans-118.1120.6-179.1175.8-176.1134.587.5-2.2107.4A29 E37A29-R31 PolarHBondContact O-N 2.88Å; R31-E37 IonicContact CZ-OE1 3.82Å; R31-E37 IonicContact CZ-OE2 3.97Å; R31-E37 IonicContact NH2-OE1 3.64Å; R31-E37 PolarHBondContact NH2-OE1 2.95Å; R31-E37 IonicContact NH2-OE2 2.97Å; R31-E37 PolarHBondContact NH2-OE2 3.1Å
32L83.1Confident75.4Confident60 Ų6089.6 Ų89.631%0.31444%0.437SS..PPolyproline II helixtrans-62.2133.3167.1-85.9170.8000109.8Y30 P305 E306 V309Y30-L32 HydrophobicContact CE1-CG 4.32Å; L32-P305 HydrophobicContact CD1-CB 4.36Å; L32-P305 HydrophobicContact CD2-CB 4.45Å; L32-E306 HydrophobicContact CD1-CG 3.87Å; L32-E306 HydrophobicContact CD2-CB 4.49Å; L32-E306 HydrophobicContact CD2-CG 3.61Å; L32-E306 HydrophobicContact CG-CG 4.11Å; L32-V309 HydrophobicContact CD2-CG2 4.43Å
33P84.8Confident76.3Confident44 Ų4493 Ų9329%0.28645%0.448SS..PPolyproline II helixtrans-58142170-19.631.4000110.1E37 I38P33-E37 WeakPolarHBondContact CA-OE2 3.04Å; P33-E37 HydrophobicContact CB-CB 4.19Å; P33-I38 HydrophobicContact CB-CD1 3.65Å; P33-I38 HydrophobicContact CB-CG1 3.87Å; P33-I38 HydrophobicContact CG-CD1 3.93Å
34S87.1Confident77.2Confident45 Ų4588.6 Ų88.632%0.31545%0.452SS..PPolyproline II helixtrans-68157.617263.20000111.5K36 E37 I38S34-K36 PolarHBondContact O-N 3.29Å; S34-K36 VanDerWaalsContact O-N 3.1Å; S34-E37 WeakPolarHBondContact CB-OE2 3.42Å; S34-E37 PolarHBondContact N-OE2 3.05Å; S34-E37 PolarHBondContact O-N 3.17Å; S34-E37 VanDerWaalsContact OG-CD 3.3Å; S34-E37 WeakPolarHBondContact OG-CG 3.34Å; S34-E37 PolarHBondContact OG-N 2.97Å; S34-E37 PolarHBondContact OG-OE2 3.05Å; S34-I38 PolarHBondContact O-N 3.24Å
35D86.3Confident78.1Confident49 Ų4986.8 Ų86.826%0.26245%0.448SS..Hα-helixtrans-49.2-40.1176.2-66.327.2000111.8V39 F278 S279 I280D35-V39 VanDerWaalsContact O-CG2 3.31Å; D35-V39 WeakPolarHBondContact O-CG2 3.46Å; D35-V39 PolarHBondContact O-N 2.68Å; D35-F278 HydrophobicContact CB-CB 4.26Å; D35-F278 HydrophobicContact CB-CD1 4.32Å; D35-F278 WeakPolarHBondContact OD1-CD1 3.11Å; D35-S279 PolarHBondContact OD2-N 3.42Å; D35-S279 PolarHBondContact OD2-OG 3.28Å; D35-I280 HydrophobicContact CB-CD1 4.39Å
36K86.6Confident78.4Confident145 Ų14578.9 Ų78.963%0.6343%0.431SS*.Hα-helixtrans-67.3-46.6178.8-69.1-172.2178.3-174.90112.9S34 I38 V39 E40S34-K36 PolarHBondContact O-N 3.29Å; S34-K36 VanDerWaalsContact O-N 3.1Å; K36-I38 VanDerWaalsContact C-N 3.27Å; K36-I38 PolarHBondContact O-N 3.06Å; K36-V39 PolarHBondContact O-N 2.87Å; K36-E40 WeakPolarHBondContact O-CG 3.38Å; K36-E40 PolarHBondContact O-N 3.22Å
37E89.1Confident78.7Confident77 Ų7779.5 Ų79.536%0.3643%0.427SS..Hα-helixtrans-60.9-38.5178.1-73.3160.814800111R31 P33 S34 E41R31-E37 IonicContact CZ-OE1 3.82Å; R31-E37 IonicContact CZ-OE2 3.97Å; R31-E37 IonicContact NH2-OE1 3.64Å; R31-E37 PolarHBondContact NH2-OE1 2.95Å; R31-E37 IonicContact NH2-OE2 2.97Å; R31-E37 PolarHBondContact NH2-OE2 3.1Å; P33-E37 WeakPolarHBondContact CA-OE2 3.04Å; P33-E37 HydrophobicContact CB-CB 4.19Å; S34-E37 WeakPolarHBondContact CB-OE2 3.42Å; S34-E37 PolarHBondContact N-OE2 3.05Å; S34-E37 PolarHBondContact O-N 3.17Å; S34-E37 VanDerWaalsContact OG-CD 3.3Å; S34-E37 WeakPolarHBondContact OG-CG 3.34Å; S34-E37 PolarHBondContact OG-N 2.97Å; S34-E37 PolarHBondContact OG-OE2 3.05Å; E37-E41 WeakPolarHBondContact O-CB 3.4Å; E37-E41 PolarHBondContact O-N 2.91Å
38I88.9Confident80Confident2 Ų277.8 Ų77.81%0.0144%0.436CS..Hα-helixtrans-65.9-44.3175.5-65-65.9000111.7P33 S34 K36 E41 V42 W276 F278 F308 V309P33-I38 HydrophobicContact CB-CD1 3.65Å; P33-I38 HydrophobicContact CB-CG1 3.87Å; P33-I38 HydrophobicContact CG-CD1 3.93Å; S34-I38 PolarHBondContact O-N 3.24Å; K36-I38 VanDerWaalsContact C-N 3.27Å; K36-I38 PolarHBondContact O-N 3.06Å; I38-E41 PolarHBondContact O-N 2.78Å; I38-V42 HydrophobicContact CG2-CG2 4.19Å; I38-V42 WeakPolarHBondContact O-CB 3.44Å; I38-V42 WeakPolarHBondContact O-CG2 3.35Å; I38-V42 PolarHBondContact O-N 3.42Å; I38-W276 HydrophobicContact CG2-CH2 3.89Å; I38-W276 HydrophobicContact CG2-CZ3 4.02Å; I38-F278 HydrophobicContact CB-CE2 4.19Å; I38-F278 HydrophobicContact CB-CZ 4.15Å; I38-F278 HydrophobicContact CD1-CZ 4.42Å; I38-F278 HydrophobicContact CG1-CE1 4.12Å; I38-F278 HydrophobicContact CG1-CE2 4.26Å; I38-F278 HydrophobicContact CG1-CZ 3.73Å; I38-F278 HydrophobicContact CG2-CD2 4.12Å; I38-F278 HydrophobicContact CG2-CE2 3.52Å; I38-F278 HydrophobicContact CG2-CZ 3.89Å; I38-F308 HydrophobicContact CG2-CD1 4.2Å; I38-F308 HydrophobicContact CG2-CE1 3.49Å; I38-F308 VanDerWaalsContact CG2-CE1 3.49Å; I38-F308 HydrophobicContact CG2-CZ 4.17Å; I38-V309 HydrophobicContact CD1-CG2 4.38Å
39V88.9Confident81.7Confident14 Ų1474.9 Ų74.99%0.08541%0.412CS..Hα-helixtrans-59.8-47.9177.1169.40000110.6D35 K36 E41 V42 L43 W276 L282D35-V39 VanDerWaalsContact O-CG2 3.31Å; D35-V39 WeakPolarHBondContact O-CG2 3.46Å; D35-V39 PolarHBondContact O-N 2.68Å; K36-V39 PolarHBondContact O-N 2.87Å; V39-E41 VanDerWaalsContact C-N 3.34Å; V39-E41 PolarHBondContact O-N 2.71Å; V39-V42 PolarHBondContact O-N 3.42Å; V39-L43 HydrophobicContact CG1-CD1 3.74Å; V39-L43 HydrophobicContact CG1-CG 4.32Å; V39-L43 WeakPolarHBondContact O-CB 3.44Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.94Å; V39-W276 HydrophobicContact CG2-CH2 3.75Å; V39-W276 HydrophobicContact CG2-CZ2 3.56Å; V39-L282 HydrophobicContact CG1-CD2 4.47Å
40E89.4Confident83.4Confident135 Ų13579.8 Ų79.863%0.63142%0.419SS*.Hα-helixtrans-59.8-43.3177.9-72.8172.8-172.500111.8K36 L43 G44K36-E40 WeakPolarHBondContact O-CG 3.38Å; K36-E40 PolarHBondContact O-N 3.22Å; E40-L43 PolarHBondContact O-N 3.37Å; E40-G44 PolarHBondContact O-N 2.74Å
41E88.9Confident84.9Confident70 Ų7077.4 Ų77.433%0.32741%0.412SS..Hα-helixtrans-63.2-44.6177.2-171.7-178.1167.800112.1E37 I38 V39 G44 L45 W312 K316E37-E41 WeakPolarHBondContact O-CB 3.4Å; E37-E41 PolarHBondContact O-N 2.91Å; I38-E41 PolarHBondContact O-N 2.78Å; V39-E41 VanDerWaalsContact C-N 3.34Å; V39-E41 PolarHBondContact O-N 2.71Å; E41-G44 PolarHBondContact O-N 2.78Å; E41-L45 PolarHBondContact O-N 2.86Å; E41-W312 VanDerWaalsContact CD-NE1 3.26Å; E41-W312 VanDerWaalsContact OE1-CD1 3.27Å; E41-W312 PolarHBondContact OE1-NE1 2.89Å; E41-K316 IonicContact OE1-NZ 2.68Å; E41-K316 PolarHBondContact OE1-NZ 3.46Å
42V88.3Confident85.7Confident16 Ų1672.6 Ų72.610%0.09740%0.398CS..Hα-helixtrans-66.2-40.3-179.6171.10000111.3I38 V39 W276 L282 F308 W312 V324I38-V42 HydrophobicContact CG2-CG2 4.19Å; I38-V42 WeakPolarHBondContact O-CB 3.44Å; I38-V42 WeakPolarHBondContact O-CG2 3.35Å; I38-V42 PolarHBondContact O-N 3.42Å; V39-V42 PolarHBondContact O-N 3.42Å; V42-W276 HydrophobicContact CG2-CZ3 4.11Å; V42-L282 HydrophobicContact CB-CD2 4.38Å; V42-L282 HydrophobicContact CG1-CD2 3.89Å; V42-F308 HydrophobicContact CG2-CZ 4.29Å; V42-W312 HydrophobicContact CB-CH2 4.06Å; V42-W312 HydrophobicContact CB-CZ2 4.18Å; V42-W312 HydrophobicContact CG1-CH2 4.02Å; V42-W312 HydrophobicContact CG1-CZ3 4.4Å; V42-W312 HydrophobicContact CG2-CD2 4.23Å; V42-W312 HydrophobicContact CG2-CE3 4.21Å; V42-W312 HydrophobicContact CG2-CH2 3.7Å; V42-W312 HydrophobicContact CG2-CZ2 3.69Å; V42-W312 HydrophobicContact CG2-CZ3 3.96Å; V42-V324 HydrophobicContact CG1-CB 4.23Å; V42-V324 HydrophobicContact CG1-CG2 4.33Å
43L87.4Confident86.4Confident101 Ų10173.5 Ų73.553%0.52940%0.401SS..Hα-helixtrans-68.5-35.8175-69.7174.2000112.1V39 E40 L282V39-L43 HydrophobicContact CG1-CD1 3.74Å; V39-L43 HydrophobicContact CG1-CG 4.32Å; V39-L43 WeakPolarHBondContact O-CB 3.44Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.94Å; E40-L43 PolarHBondContact O-N 3.37Å; L43-L282 HydrophobicContact CD2-CB 4.3Å
44G82.1Confident87Confident69 Ų6976.8 Ų76.871%0.71142%0.42SS*.Hα-helixtrans-72.3-26.7-177.400000115.3E40 E41 G46E40-G44 PolarHBondContact O-N 2.74Å; E41-G44 PolarHBondContact O-N 2.78Å; G44-G46 VanDerWaalsContact C-N 3.32Å; G44-G46 PolarHBondContact O-N 3.47Å
45L79.5Confident87.5Confident79 Ų7975.1 Ų75.141%0.41441%0.41SS..THydrogen-bonded Turntrans-73.8-21.6-178.6-16176.5000113.2E41 W312 K316E41-L45 PolarHBondContact O-N 2.86Å; L45-W312 HydrophobicContact CB-CZ2 4.16Å; L45-W312 HydrophobicContact CD2-CH2 3.89Å; L45-W312 HydrophobicContact CD2-CZ2 3.69Å; L45-K316 HydrophobicContact CD1-CD 4.47Å; L45-K316 HydrophobicContact CD1-CG 4.33Å; L45-K316 HydrophobicContact CD2-CG 3.91Å
46G66.1Low88.1Confident46 Ų4673.1 Ų73.147%0.47440%0.4SS..  trans67.9-177.7-173.500000113.7G44 A48G44-G46 VanDerWaalsContact C-N 3.32Å; G44-G46 PolarHBondContact O-N 3.47Å; G46-A48 VanDerWaalsContact C-N 3.33Å; G46-A48 PolarHBondContact O-N 3.2Å
47E65.8Low88.6Confident113 Ų11369 Ų6953%0.52838%0.384SS..SBendtrans-84.1-1.7-176.6-67.1-154.1125.200114.8W49 K323E47-W49 VanDerWaalsContact C-N 3.32Å; E47-W49 PolarHBondContact O-N 3.39Å; E47-K323 IonicContact OE1-NZ 3.84Å; E47-K323 PolarHBondContact OE1-NZ 2.91Å
48A77.8Confident89Confident91 Ų9169.9 Ų69.975%0.75239%0.391SS*.  trans-78.974.5-171.400000112.6G46G46-A48 VanDerWaalsContact C-N 3.33Å; G46-A48 PolarHBondContact O-N 3.2Å
49W91.6Very high89.4Confident45 Ų4571.6 Ų71.617%0.1740%0.398CS..  trans-83.6135.9168.7-178.884.3000111.2E47 K51 H315 G318 L320 R321E47-W49 VanDerWaalsContact C-N 3.32Å; E47-W49 PolarHBondContact O-N 3.39Å; W49-K51 HydrophobicContact CH2-CB 3.69Å; W49-K51 HydrophobicContact CH2-CG 4.06Å; W49-K51 HydrophobicContact CZ2-CB 4.48Å; W49-K51 HydrophobicContact CZ3-CB 3.91Å; W49-H315 AromaticContact CD1-CE1 3.33Å; W49-H315 AromaticContact CD1-ND1 3.25Å; W49-H315 VanDerWaalsContact CD1-O 3.28Å; W49-H315 AromaticContact CG-CE1 3.81Å; W49-H315 AromaticContact NE1-ND1 3.77Å; W49-H315 PolarHBondContact NE1-O 3.43Å; W49-G318 WeakPolarHBondContact CZ2-O 3.24Å; W49-L320 PolarHBondContact NE1-O 2.91Å; W49-R321 HydrophobicContact CB-CG 4.48Å; W49-R321 HydrophobicContact CD2-CB 3.94Å; W49-R321 HydrophobicContact CD2-CG 3.97Å; W49-R321 HydrophobicContact CE3-CB 4.33Å; W49-R321 HydrophobicContact CE3-CG 4.34Å; W49-R321 HydrophobicContact CG-CB 4.38Å; W49-R321 HydrophobicContact CG-CG 4.03Å; W49-R321 HydrophobicContact CH2-CB 4.39Å; W49-R321 HydrophobicContact CZ2-CB 4.03Å
50K94.3Very high89.8Confident175 Ų17573 Ų7376%0.76140%0.401SS*.  trans-123.8133.8174.4-69.4-176.6179.9178.30110.3N52 G318K50-N52 PolarHBondContact O-N 3.02Å; K50-G318 WeakPolarHBondContact O-CA 3.44Å
51K95.9Very high90.2Very high87 Ų8771.1 Ų71.138%0.37840%0.396SS..  trans-63.9131.3177.4-173.5179.5-175.5-179.30110.7W49 Q53 I56 D268W49-K51 HydrophobicContact CH2-CB 3.69Å; W49-K51 HydrophobicContact CH2-CG 4.06Å; W49-K51 HydrophobicContact CZ2-CB 4.48Å; W49-K51 HydrophobicContact CZ3-CB 3.91Å; K51-Q53 VanDerWaalsContact NZ-OE1 3.07Å; K51-I56 HydrophobicContact CD-CD1 4.2Å; K51-I56 HydrophobicContact CG-CD1 3.76Å; K51-D268 WeakPolarHBondContact CE-O 3.35Å; K51-D268 PolarHBondContact NZ-O 3.27Å
52N97.6Very high90.7Very high62 Ų6270 Ų7033%0.33239%0.391SS..  trans-114.298.3171.6179.2-1.4000109.8K50 T54 G55 I56 S317 G318K50-N52 PolarHBondContact O-N 3.02Å; N52-T54 VanDerWaalsContact C-N 3.34Å; N52-T54 PolarHBondContact O-N 3.28Å; N52-T54 PolarHBondContact OD1-N 3.46Å; N52-G55 PolarHBondContact O-N 3.05Å; N52-G55 PolarHBondContact OD1-N 3.44Å; N52-G55 VanDerWaalsContact OD1-N 3.17Å; N52-I56 WeakPolarHBondContact O-CG1 3.24Å; N52-I56 PolarHBondContact O-N 3.48Å; N52-I56 VanDerWaalsContact O-N 3.13Å; N52-S317 WeakPolarHBondContact CB-O 3.46Å; N52-S317 PolarHBondContact ND2-O 3.32Å; N52-G318 PolarHBondContact N-O 2.86Å
53Q97.8Very high91.1Very high78 Ų7869.2 Ų69.236%0.36439%0.387SS..Hα-helixtrans-62.1-40.9-176.9-170.26050.300112.2K51 G55 I56 D57K51-Q53 VanDerWaalsContact NZ-OE1 3.07Å; Q53-G55 VanDerWaalsContact C-N 3.33Å; Q53-G55 PolarHBondContact O-N 2.92Å; Q53-I56 WeakPolarHBondContact O-CB 3.38Å; Q53-I56 PolarHBondContact O-N 3.45Å; Q53-D57 PolarHBondContact NE2-OD1 2.91Å; Q53-D57 PolarHBondContact NE2-OD2 2.99Å; Q53-D57 VanDerWaalsContact O-CG 3.28Å; Q53-D57 PolarHBondContact O-N 3.13Å
54T98Very high91.5Very high113 Ų11367.1 Ų67.169%0.69338%0.379SS*.Hα-helixtrans-61.1-41.3178.4-51.40000111.9N52 D57 L58N52-T54 VanDerWaalsContact C-N 3.34Å; N52-T54 PolarHBondContact O-N 3.28Å; N52-T54 PolarHBondContact OD1-N 3.46Å; T54-D57 PolarHBondContact O-N 2.89Å; T54-L58 WeakPolarHBondContact O-CB 3.42Å; T54-L58 PolarHBondContact O-N 3.28Å
55G97.4Very high92.2Very high10 Ų1071.5 Ų71.510%0.10338%0.381CS..Hα-helixtrans-64.4-41.4175.900000112.7N52 Q53 L58 Y59N52-G55 PolarHBondContact O-N 3.05Å; N52-G55 PolarHBondContact OD1-N 3.44Å; N52-G55 VanDerWaalsContact OD1-N 3.17Å; Q53-G55 VanDerWaalsContact C-N 3.33Å; Q53-G55 PolarHBondContact O-N 2.92Å; G55-L58 PolarHBondContact O-N 3.31Å; G55-Y59 PolarHBondContact O-N 3.47Å
56I98.1Very high92.9Very high8 Ų869.5 Ų69.54%0.04137%0.372CS..Hα-helixtrans-60.3-50.7174.9-69.7165.6000110.7K51 N52 Q53 L58 Y59 R60 T319K51-I56 HydrophobicContact CD-CD1 4.2Å; K51-I56 HydrophobicContact CG-CD1 3.76Å; N52-I56 WeakPolarHBondContact O-CG1 3.24Å; N52-I56 PolarHBondContact O-N 3.48Å; N52-I56 VanDerWaalsContact O-N 3.13Å; Q53-I56 WeakPolarHBondContact O-CB 3.38Å; Q53-I56 PolarHBondContact O-N 3.45Å; I56-L58 VanDerWaalsContact C-N 3.32Å; I56-L58 PolarHBondContact O-N 2.95Å; I56-Y59 PolarHBondContact O-N 2.96Å; I56-R60 WeakPolarHBondContact O-CB 3.45Å; I56-R60 PolarHBondContact O-N 2.9Å; I56-T319 HydrophobicContact CG1-CG2 4.44Å; I56-T319 WeakPolarHBondContact CG1-O 3.47Å
57D98Very high94.2Very high58 Ų5867.3 Ų67.331%0.3135%0.35SS..Hα-helixtrans-65.7-37.8-177.5-63.7-23.3000111.5Q53 T54 R60 N61Q53-D57 PolarHBondContact NE2-OD1 2.91Å; Q53-D57 PolarHBondContact NE2-OD2 2.99Å; Q53-D57 VanDerWaalsContact O-CG 3.28Å; Q53-D57 PolarHBondContact O-N 3.13Å; T54-D57 PolarHBondContact O-N 2.89Å; D57-R60 PolarHBondContact O-N 3.47Å; D57-R60 IonicContact OD1-CZ 2.68Å; D57-R60 IonicContact OD1-NH1 3.48Å; D57-R60 PolarHBondContact OD1-NH1 3.35Å; D57-N61 WeakPolarHBondContact O-CB 3.19Å; D57-N61 VanDerWaalsContact O-CG 3.23Å; D57-N61 PolarHBondContact O-N 3.2Å; D57-N61 PolarHBondContact O-ND2 2.85Å
58L97.7Very high95.6Very high96 Ų9664.8 Ų64.850%0.50334%0.34SS..Hα-helixtrans-58.6-52.3172.6176.463.3000111.5T54 G55 I56 R60 N61 L62T54-L58 WeakPolarHBondContact O-CB 3.42Å; T54-L58 PolarHBondContact O-N 3.28Å; G55-L58 PolarHBondContact O-N 3.31Å; I56-L58 VanDerWaalsContact C-N 3.32Å; I56-L58 PolarHBondContact O-N 2.95Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 2.87Å; L58-N61 PolarHBondContact O-N 3.46Å; L58-L62 HydrophobicContact CD1-CD1 3.96Å; L58-L62 HydrophobicContact CD1-CG 4.12Å; L58-L62 HydrophobicContact CG-CD1 3.86Å; L58-L62 HydrophobicContact CG-CG 4.44Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 VanDerWaalsContact O-CG 3.24Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 3.43Å
59Y97.3Very high96.4Very high37 Ų3760.5 Ų60.515%0.14531%0.305CS..Hα-helixtrans-65.8-36.5-179.8-94.9-98.9000112.5G55 I56 L62 L63 F242 W243 L264 L314 T319G55-Y59 PolarHBondContact O-N 3.47Å; I56-Y59 PolarHBondContact O-N 2.96Å; Y59-L62 PolarHBondContact O-N 3.25Å; Y59-L63 WeakPolarHBondContact O-CB 3.29Å; Y59-L63 WeakPolarHBondContact O-CG 3.4Å; Y59-L63 PolarHBondContact O-N 3.07Å; Y59-F242 HydrophobicContact CD1-CZ 4.09Å; Y59-F242 HydrophobicContact CE1-CE1 4.34Å; Y59-F242 HydrophobicContact CE1-CZ 4.02Å; Y59-W243 HydrophobicContact CE1-CH2 4.41Å; Y59-L264 HydrophobicContact CD1-CD1 4.36Å; Y59-L314 HydrophobicContact CD1-CD2 4.2Å; Y59-L314 HydrophobicContact CD2-CD2 3.9Å; Y59-L314 HydrophobicContact CE1-CD1 4.08Å; Y59-L314 HydrophobicContact CE1-CD2 3.7Å; Y59-L314 HydrophobicContact CE2-CD2 3.37Å; Y59-L314 HydrophobicContact CG-CD2 4.28Å; Y59-T319 HydrophobicContact CD2-CG2 3.87Å; Y59-T319 HydrophobicContact CG-CG2 4.08Å
60R97.7Very high96.4Very high44 Ų4465.6 Ų65.617%0.16632%0.324CS..Hα-helixtrans-60.4-45.6173.7-170.9178.4-59.2111.7-0.9111.4I56 D57 L58 T64 C267 D268I56-R60 WeakPolarHBondContact O-CB 3.45Å; I56-R60 PolarHBondContact O-N 2.9Å; D57-R60 PolarHBondContact O-N 3.47Å; D57-R60 IonicContact OD1-CZ 2.68Å; D57-R60 IonicContact OD1-NH1 3.48Å; D57-R60 PolarHBondContact OD1-NH1 3.35Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 2.87Å; R60-T64 WeakPolarHBondContact O-CB 3.38Å; R60-T64 PolarHBondContact O-N 2.93Å; R60-T64 PolarHBondContact O-OG1 2.8Å; R60-C267 PolarHBondContact NH2-O 2.92Å; R60-D268 IonicContact NH2-OD1 3.81Å
61N97.9Very high96.4Very high95 Ų9562.6 Ų62.651%0.50831%0.308SS..Hα-helixtrans-64.2-48.8177.3-71.7-15.2000111.4D57 L58 L63 T64 E65D57-N61 WeakPolarHBondContact O-CB 3.19Å; D57-N61 VanDerWaalsContact O-CG 3.23Å; D57-N61 PolarHBondContact O-N 3.2Å; D57-N61 PolarHBondContact O-ND2 2.85Å; L58-N61 PolarHBondContact O-N 3.46Å; N61-L63 VanDerWaalsContact C-N 3.31Å; N61-L63 PolarHBondContact O-N 3.36Å; N61-T64 WeakPolarHBondContact O-CA 3.13Å; N61-T64 WeakPolarHBondContact O-CB 3.23Å; N61-T64 PolarHBondContact O-N 2.99Å; N61-E65 WeakPolarHBondContact O-CG 3.4Å; N61-E65 PolarHBondContact O-N 3.2Å
62L97.6Very high96.4Very high46 Ų4659.9 Ų59.924%0.24130%0.297CS..Hα-helixtrans-58.9-41.1179.2-70.2168.6000112.5L58 Y59 C66 F242L58-L62 HydrophobicContact CD1-CD1 3.96Å; L58-L62 HydrophobicContact CD1-CG 4.12Å; L58-L62 HydrophobicContact CG-CD1 3.86Å; L58-L62 HydrophobicContact CG-CG 4.44Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 VanDerWaalsContact O-CG 3.24Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 3.43Å; Y59-L62 PolarHBondContact O-N 3.25Å; L62-C66 VanDerWaalsContact O-CB 3.23Å; L62-C66 WeakPolarHBondContact O-CB 3.39Å; L62-C66 PolarHBondContact O-N 3.28Å; L62-C66 VanDerWaalsContact O-N 3.08Å; L62-F242 HydrophobicContact CB-CE2 3.95Å
63L97.2Very high96.2Very high0 Ų057 Ų570%028%0.281CS..Hα-helixtrans-69.9-35.9174.9-74.8165.4000111.8Y59 N61 C66 C67 N68 P69 F242 S261 L264Y59-L63 WeakPolarHBondContact O-CB 3.29Å; Y59-L63 WeakPolarHBondContact O-CG 3.4Å; Y59-L63 PolarHBondContact O-N 3.07Å; N61-L63 VanDerWaalsContact C-N 3.31Å; N61-L63 PolarHBondContact O-N 3.36Å; L63-C66 PolarHBondContact O-N 3.49Å; L63-C67 CarbonylContact O-C 3.6Å; L63-C67 PolarHBondContact O-N 3.45Å; L63-C67 PolarHBondContact O-SG 3.3Å; L63-N68 PolarHBondContact O-N 2.93Å; L63-N68 VanDerWaalsContact O-N 3.11Å; L63-P69 HydrophobicContact CB-CG 4.26Å; L63-F242 HydrophobicContact CD2-CD1 4.07Å; L63-F242 HydrophobicContact CD2-CD2 4.38Å; L63-F242 HydrophobicContact CD2-CE1 3.93Å; L63-F242 HydrophobicContact CD2-CE2 4.25Å; L63-F242 HydrophobicContact CD2-CG 4.3Å; L63-F242 HydrophobicContact CD2-CZ 4.03Å; L63-F242 HydrophobicContact CG-CE1 4.49Å; L63-F242 HydrophobicContact CG-CE2 4.43Å; L63-F242 HydrophobicContact CG-CZ 4.18Å; L63-S261 WeakPolarHBondContact CD1-O 3.3Å; L63-L264 HydrophobicContact CD1-CB 3.45Å; L63-L264 VanDerWaalsContact CD1-CB 3.45Å; L63-L264 HydrophobicContact CD1-CD1 4.29Å
64T96.8Very high96.2Very high58 Ų5853.3 Ų53.336%0.35626%0.264SS..Hα-helixtrans-61.8-44.9175.7-60.50000111.3R60 N61 N68R60-T64 WeakPolarHBondContact O-CB 3.38Å; R60-T64 PolarHBondContact O-N 2.93Å; R60-T64 PolarHBondContact O-OG1 2.8Å; N61-T64 WeakPolarHBondContact O-CA 3.13Å; N61-T64 WeakPolarHBondContact O-CB 3.23Å; N61-T64 PolarHBondContact O-N 2.99Å; T64-N68 WeakPolarHBondContact O-CA 3.49Å; T64-N68 WeakPolarHBondContact O-CB 3.49Å; T64-N68 PolarHBondContact O-N 3.38Å
65E96.4Very high96.2Very high161 Ų16148 Ų4875%0.75223%0.232SC*.Hα-helixtrans-67-41.4177.6-70.1173.1-178.200112.7N61N61-E65 WeakPolarHBondContact O-CG 3.4Å; N61-E65 PolarHBondContact O-N 3.2Å
66C93.9Very high96.2Very high36 Ų3647.5 Ų47.524%0.24323%0.227CC..Hα-helixtrans-66.3-46.7-178.9140.20000113.6L62 L63 N238 F242L62-C66 VanDerWaalsContact O-CB 3.23Å; L62-C66 WeakPolarHBondContact O-CB 3.39Å; L62-C66 PolarHBondContact O-N 3.28Å; L62-C66 VanDerWaalsContact O-N 3.08Å; L63-C66 PolarHBondContact O-N 3.49Å; C66-N238 PolarHBondContact O-ND2 3.1Å; C66-N238 VanDerWaalsContact O-ND2 3.12Å; C66-F242 HydrophobicContact CB-CD2 4.12Å
67C94Very high96.2Very high1 Ų149 Ų491%0.00723%0.233CC..Hα-helixtrans-159.97-154.333.30000113.2L63 M72 F235 N238 V239L63-C67 CarbonylContact O-C 3.6Å; L63-C67 PolarHBondContact O-N 3.45Å; L63-C67 PolarHBondContact O-SG 3.3Å; C67-M72 VanDerWaalsContact O-CB 3.27Å; C67-M72 WeakPolarHBondContact O-CB 3.2Å; C67-M72 WeakPolarHBondContact O-CG 3.29Å; C67-F235 HydrophobicContact CB-CD2 3.95Å; C67-F235 HydrophobicContact CB-CE2 4.22Å; C67-F235 WeakPolarHBondContact O-CD2 3.43Å; C67-N238 HydrophobicContact CB-CB 3.74Å; C67-V239 HydrophobicContact CB-CG2 4.15Å
68N94.9Very high96.1Very high59 Ų5951.2 Ų51.232%0.31624%0.241SC..  trans21.681.5179.7-167.4-25.9000114.3L63 T64 R70 W71 M72L63-N68 PolarHBondContact O-N 2.93Å; L63-N68 VanDerWaalsContact O-N 3.11Å; T64-N68 WeakPolarHBondContact O-CA 3.49Å; T64-N68 WeakPolarHBondContact O-CB 3.49Å; T64-N68 PolarHBondContact O-N 3.38Å; N68-R70 PolarHBondContact O-N 3.06Å; N68-R70 WeakPolarHBondContact OD1-CB 3.43Å; N68-R70 PolarHBondContact OD1-N 3.18Å; N68-W71 HydrophobicContact CB-CB 4.36Å; N68-W71 PolarHBondContact O-N 3.48Å; N68-W71 PolarHBondContact OD1-N 3.14Å; N68-M72 HydrophobicContact CB-CG 4.5Å; N68-M72 PolarHBondContact O-N 3.39Å
69P94.1Very high96.1Very high1 Ų147 Ų471%0.00622%0.219CC..Hα-helixtrans-54.6-32.6-175.4-28.436.3000113.3L63 W71 F73 F235 L262 M266L63-P69 HydrophobicContact CB-CG 4.26Å; P69-W71 VanDerWaalsContact C-N 3.31Å; P69-W71 PolarHBondContact O-N 3.33Å; P69-F73 VanDerWaalsContact O-CB 3.31Å; P69-F73 WeakPolarHBondContact O-CB 3.41Å; P69-F73 PolarHBondContact O-N 2.91Å; P69-F235 HydrophobicContact CB-CE2 4.06Å; P69-F235 HydrophobicContact CB-CZ 4.47Å; P69-F235 HydrophobicContact CG-CE2 4Å; P69-L262 HydrophobicContact CB-CD1 3.99Å; P69-M266 HydrophobicContact CB-CG 4.3Å
70R92.1Very high96.1Very high153 Ų15345.2 Ų45.258%0.57721%0.212SC*.Hα-helixtrans-63-35177.7-177.9175.8177.9159.1-1.3113.3N68 T110 M266N68-R70 PolarHBondContact O-N 3.06Å; N68-R70 WeakPolarHBondContact OD1-CB 3.43Å; N68-R70 PolarHBondContact OD1-N 3.18Å; R70-T110 VanDerWaalsContact O-CB 3.22Å; R70-T110 WeakPolarHBondContact O-CB 3.5Å; R70-T110 WeakPolarHBondContact O-CG2 3.31Å; R70-T110 PolarHBondContact O-OG1 3.29Å; R70-M266 HydrophobicContact CB-CE 4.46Å; R70-M266 HydrophobicContact CB-SD 3.82Å; R70-M266 HydrophobicContact CG-SD 4.49Å
71W93.8Very high96.1Very high111 Ų11146.4 Ų46.442%0.4223%0.225SC..Hα-helixtrans-98.6-36-177.4178.3-114.1000113N68 P69 E78 N79N68-W71 HydrophobicContact CB-CB 4.36Å; N68-W71 PolarHBondContact O-N 3.48Å; N68-W71 PolarHBondContact OD1-N 3.14Å; P69-W71 VanDerWaalsContact C-N 3.31Å; P69-W71 PolarHBondContact O-N 3.33Å; W71-E78 HydrophobicContact CH2-CB 3.54Å; W71-E78 HydrophobicContact CZ2-CB 4.45Å; W71-E78 HydrophobicContact CZ3-CB 3.99Å; W71-E78 WeakPolarHBondContact CZ3-OE2 3.39Å; W71-N79 HydrophobicContact CD2-CB 4.26Å; W71-N79 VanDerWaalsContact CE2-CB 3.5Å; W71-N79 HydrophobicContact CH2-CB 4.19Å; W71-N79 HydrophobicContact CZ2-CB 3.47Å; W71-N79 VanDerWaalsContact CZ2-CB 3.47Å; W71-N79 PolarHBondContact O-ND2 3.02Å
72M95.4Very high96.1Very high31 Ų3146.2 Ų46.215%0.15322%0.224CC..Hα-helixtrans-103.4-11.8-166.9-55.5-178.559.300113.4C67 N68 S74 N232 D234 F235C67-M72 VanDerWaalsContact O-CB 3.27Å; C67-M72 WeakPolarHBondContact O-CB 3.2Å; C67-M72 WeakPolarHBondContact O-CG 3.29Å; N68-M72 HydrophobicContact CB-CG 4.5Å; N68-M72 PolarHBondContact O-N 3.39Å; M72-S74 PolarHBondContact O-N 3.3Å; M72-S74 VanDerWaalsContact O-N 3.15Å; M72-N232 WeakPolarHBondContact O-CB 3.4Å; M72-D234 HydrophobicContact CE-CB 3.54Å; M72-F235 HydrophobicContact CB-CB 3.96Å; M72-F235 HydrophobicContact CB-CD2 4.13Å; M72-F235 HydrophobicContact CB-CG 4.46Å; M72-F235 WeakPolarHBondContact O-CB 3.46Å
73F95.2Very high96.2Very high1 Ų146.3 Ų46.30%0.00424%0.235CC..SBendtrans-59.4-37.1-172.897.6-75000112.9P69 T110 L112 L164 Y199 L229 N232 F235 L262P69-F73 VanDerWaalsContact O-CB 3.31Å; P69-F73 WeakPolarHBondContact O-CB 3.41Å; P69-F73 PolarHBondContact O-N 2.91Å; F73-T110 HydrophobicContact CD1-CG2 3.72Å; F73-T110 HydrophobicContact CE1-CG2 3.36Å; F73-L112 HydrophobicContact CD1-CD1 4.39Å; F73-L112 HydrophobicContact CD2-CD1 4.41Å; F73-L112 HydrophobicContact CE1-CD1 3.91Å; F73-L112 HydrophobicContact CE1-CG 4.06Å; F73-L112 HydrophobicContact CE2-CD1 3.9Å; F73-L112 HydrophobicContact CZ-CD1 3.58Å; F73-L112 HydrophobicContact CZ-CG 3.84Å; F73-L164 HydrophobicContact CE2-CD1 4.23Å; F73-Y199 HydrophobicContact CD2-CD2 4.18Å; F73-Y199 AromaticContact CD2-CE2 3.59Å; F73-Y199 HydrophobicContact CD2-CE2 3.59Å; F73-Y199 AromaticContact CE2-CD2 3.94Å; F73-Y199 HydrophobicContact CE2-CD2 3.94Å; F73-Y199 AromaticContact CE2-CE2 3.79Å; F73-Y199 HydrophobicContact CE2-CE2 3.79Å; F73-Y199 WeakPolarHBondContact O-CE2 3.4Å; F73-Y199 PolarHBondContact O-OH 3.22Å; F73-L229 HydrophobicContact CE2-CD1 3.86Å; F73-L229 HydrophobicContact CZ-CD1 3.57Å; F73-N232 PolarHBondContact O-N 3.13Å; F73-F235 HydrophobicContact CB-CE1 4.4Å; F73-L262 HydrophobicContact CB-CD1 3.75Å; F73-L262 HydrophobicContact CD2-CD1 4.34Å; F73-L262 HydrophobicContact CD2-CD2 3.91Å; F73-L262 HydrophobicContact CE2-CD2 4.44Å; F73-L262 HydrophobicContact CG-CD1 4Å; F73-L262 HydrophobicContact CG-CD2 4.41Å
74S97.1Very high96.2Very high0 Ų049.5 Ų49.50%025%0.249CC..BIsolated β-bridgetrans-119148.1179.460.90000111.7M72 T76 N79 T110 F230M72-S74 PolarHBondContact O-N 3.3Å; M72-S74 VanDerWaalsContact O-N 3.15Å; S74-T76 PolarHBondContact O-N 3Å; S74-N79 PolarHBondContact O-ND2 3.3Å; S74-T110 PolarHBondContact OG-OG1 3.08Å; S74-F230 CarbonylContact C-O 3.57Å; S74-F230 VanDerWaalsContact CA-O 3.23Å; S74-F230 WeakPolarHBondContact CA-O 3.43Å
75V97.8Very high96.3Very high2 Ų249.4 Ų49.41%0.01225%0.248CC..  trans-67.4128.3164.5-174.90000108.7A80 L86 F106 F203 F230 N232V75-A80 HydrophobicContact CG1-CB 3.48Å; V75-A80 VanDerWaalsContact CG1-CB 3.48Å; V75-L86 HydrophobicContact CG1-CD1 4.3Å; V75-L86 HydrophobicContact CG2-CD1 4.4Å; V75-F106 HydrophobicContact CB-CE1 4.48Å; V75-F106 HydrophobicContact CG1-CD1 4.12Å; V75-F106 HydrophobicContact CG1-CD2 3.61Å; V75-F106 HydrophobicContact CG1-CE1 3.94Å; V75-F106 HydrophobicContact CG1-CE2 3.39Å; V75-F106 HydrophobicContact CG1-CG 3.99Å; V75-F106 HydrophobicContact CG1-CZ 3.57Å; V75-F203 HydrophobicContact CG2-CD2 4.08Å; V75-F203 HydrophobicContact CG2-CE2 4.45Å; V75-F230 HydrophobicContact CB-CB 4.48Å; V75-F230 PolarHBondContact N-O 2.85Å; V75-N232 HydrophobicContact CG2-CB 4.09Å
76T97.9Very high96.3Very high0 Ų041.7 Ų41.70%021%0.213CC..BIsolated β-bridgetrans-131.6163.5-179.871.90000109.9S74 E78 N79 A80 V107 Q108S74-T76 PolarHBondContact O-N 3Å; T76-E78 PolarHBondContact O-N 3.49Å; T76-E78 PolarHBondContact OG1-N 3.3Å; T76-N79 PolarHBondContact N-OD1 3.01Å; T76-N79 PolarHBondContact O-N 3.3Å; T76-N79 PolarHBondContact O-OD1 2.69Å; T76-N79 PolarHBondContact OG1-N 2.94Å; T76-N79 VanDerWaalsContact OG1-N 3.08Å; T76-N79 PolarHBondContact OG1-ND2 2.9Å; T76-N79 PolarHBondContact OG1-OD1 3.44Å; T76-A80 WeakPolarHBondContact O-CA 3.36Å; T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.27Å; T76-V107 CarbonylContact C-O 3.6Å; T76-V107 VanDerWaalsContact CA-O 3.28Å; T76-V107 WeakPolarHBondContact CA-O 3.2Å; T76-V107 WeakPolarHBondContact CB-O 3.43Å; T76-V107 HydrophobicContact CG2-CG2 3.89Å; T76-Q108 WeakPolarHBondContact CB-O 3.47Å
77K97.9Very high96.5Very high39 Ų3946.1 Ų46.117%0.1722%0.224CC..THydrogen-bonded Turntrans-61-35.7174.5-70.4177.5169.4164.50111.8Y103 F106 V107 Q108K77-Y103 HydrophobicContact CB-CE2 3.66Å; K77-Y103 HydrophobicContact CD-CE1 4.1Å; K77-Y103 HydrophobicContact CD-CE2 4.4Å; K77-Y103 WeakPolarHBondContact CE-O 3.36Å; K77-Y103 HydrophobicContact CG-CD2 4.13Å; K77-Y103 HydrophobicContact CG-CE1 4.22Å; K77-Y103 HydrophobicContact CG-CE2 3.66Å; K77-F106 WeakPolarHBondContact CE-O 3.34Å; K77-F106 HydrophobicContact CG-CB 3.97Å; K77-V107 PolarHBondContact N-O 3.02Å; K77-Q108 PolarHBondContact N-O 3.46Å
78E96.3Very high96.7Very high105 Ų10546.6 Ų46.649%0.49123%0.226SC..THydrogen-bonded Turntrans-70-38.4178-67.2172.917200113.2W71 T76 Q108 T109W71-E78 HydrophobicContact CH2-CB 3.54Å; W71-E78 HydrophobicContact CZ2-CB 4.45Å; W71-E78 HydrophobicContact CZ3-CB 3.99Å; W71-E78 WeakPolarHBondContact CZ3-OE2 3.39Å; T76-E78 PolarHBondContact O-N 3.49Å; T76-E78 PolarHBondContact OG1-N 3.3Å; E78-Q108 WeakPolarHBondContact CG-O 3.36Å; E78-Q108 PolarHBondContact N-O 2.94Å; E78-T109 WeakPolarHBondContact OE2-CB 3.34Å; E78-T109 PolarHBondContact OE2-OG1 3.47Å
79N96.6Very high96.7Very high7 Ų744.7 Ų44.74%0.03722%0.216CC..THydrogen-bonded Turntrans-94.9-11.8-176.877.920.4000113.9W71 S74 T76 K84W71-N79 HydrophobicContact CD2-CB 4.26Å; W71-N79 VanDerWaalsContact CE2-CB 3.5Å; W71-N79 HydrophobicContact CH2-CB 4.19Å; W71-N79 HydrophobicContact CZ2-CB 3.47Å; W71-N79 VanDerWaalsContact CZ2-CB 3.47Å; W71-N79 PolarHBondContact O-ND2 3.02Å; S74-N79 PolarHBondContact O-ND2 3.3Å; T76-N79 PolarHBondContact N-OD1 3.01Å; T76-N79 PolarHBondContact O-N 3.3Å; T76-N79 PolarHBondContact O-OD1 2.69Å; T76-N79 PolarHBondContact OG1-N 2.94Å; T76-N79 VanDerWaalsContact OG1-N 3.08Å; T76-N79 PolarHBondContact OG1-ND2 2.9Å; T76-N79 PolarHBondContact OG1-OD1 3.44Å; N79-K84 VanDerWaalsContact O-CD 3.28Å; N79-K84 WeakPolarHBondContact O-CD 3.47Å; N79-K84 PolarHBondContact O-NZ 2.96Å
80A97.9Very high96.5Very high0 Ų045.5 Ų45.50%022%0.224CC..SBendtrans-139.871.7179.900000112.2V75 T76 K84 L86 V98 F106V75-A80 HydrophobicContact CG1-CB 3.48Å; V75-A80 VanDerWaalsContact CG1-CB 3.48Å; T76-A80 WeakPolarHBondContact O-CA 3.36Å; T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.27Å; A80-K84 HydrophobicContact CB-CD 4.05Å; A80-L86 HydrophobicContact CB-CD2 4.27Å; A80-V98 HydrophobicContact CB-CG2 4.23Å; A80-F106 HydrophobicContact CB-CE2 4.28Å
81P97.8Very high96.4Very high68 Ų6840.2 Ų40.244%0.44221%0.206SC..  trans-65.2162.7174.729.5-36.5000111.8G83 K84P81-G83 PolarHBondContact O-N 3.49Å; P81-K84 WeakPolarHBondContact O-CB 3.28Å; P81-K84 PolarHBondContact O-N 3.06Å
82I98.3Very high95.8Very high92 Ų9243.7 Ų43.747%0.47222%0.22SC..THydrogen-bonded Turntrans-51.9134173.8-63.7161.1000109.8K84 N100 Y103I82-K84 VanDerWaalsContact C-N 3.34Å; I82-N100 VanDerWaalsContact CD1-OD1 3.31Å; I82-N100 WeakPolarHBondContact CD1-OD1 3.47Å; I82-Y103 HydrophobicContact CD1-CD1 3.91Å; I82-Y103 HydrophobicContact CD1-CE1 4.34Å; I82-Y103 HydrophobicContact CD1-CG 4.05Å; I82-Y103 HydrophobicContact CG1-CD1 4Å; I82-Y103 HydrophobicContact CG1-CD2 3.89Å; I82-Y103 HydrophobicContact CG1-CG 3.6Å
83G98.3Very high95.6Very high47 Ų4752.2 Ų52.249%0.48525%0.252SS..THydrogen-bonded Turntrans88.5-11.4-175.900000114.7P81 V85 V98P81-G83 PolarHBondContact O-N 3.49Å; G83-V85 PolarHBondContact O-N 3.44Å; G83-V98 PolarHBondContact N-O 3.05Å
84K97.9Very high95.7Very high68 Ų6857.8 Ų57.830%0.29627%0.274SS..  trans-64.2135173.4-172.3176.2-169.6-179.90110.4N79 A80 P81 I82 L86 T97 V98N79-K84 VanDerWaalsContact O-CD 3.28Å; N79-K84 WeakPolarHBondContact O-CD 3.47Å; N79-K84 PolarHBondContact O-NZ 2.96Å; A80-K84 HydrophobicContact CB-CD 4.05Å; P81-K84 WeakPolarHBondContact O-CB 3.28Å; P81-K84 PolarHBondContact O-N 3.06Å; I82-K84 VanDerWaalsContact C-N 3.34Å; K84-L86 HydrophobicContact CD-CD2 4.25Å; K84-L86 HydrophobicContact CG-CD2 4.45Å; K84-T97 WeakPolarHBondContact O-CA 3.22Å; K84-V98 HydrophobicContact CB-CG2 4.33Å; K84-V98 WeakPolarHBondContact O-CG2 3.4Å; K84-V98 PolarHBondContact O-N 3.38Å
85V98.1Very high95.7Very high55 Ų5560 Ų6033%0.33329%0.29SS..EExtended strand (participates in β ladder)trans-90.5116.6174.2-176.70000109.9G83 W87G83-V85 PolarHBondContact O-N 3.44Å; V85-W87 HydrophobicContact CG1-CD2 4.23Å; V85-W87 HydrophobicContact CG1-CG 4.42Å; V85-W87 HydrophobicContact CG1-CZ2 4.12Å
86L97.8Very high95.6Very high0 Ų061.5 Ų61.50%030%0.297CS..EExtended strand (participates in β ladder)trans-93.699.7173.5-57.5-179.7000109.3V75 A80 K84 Y88 S95 H96 V98 F203 P233V75-L86 HydrophobicContact CG1-CD1 4.3Å; V75-L86 HydrophobicContact CG2-CD1 4.4Å; A80-L86 HydrophobicContact CB-CD2 4.27Å; K84-L86 HydrophobicContact CD-CD2 4.25Å; K84-L86 HydrophobicContact CG-CD2 4.45Å; L86-Y88 PolarHBondContact O-N 3.35Å; L86-S95 CarbonylContact O-C 3.59Å; L86-S95 VanDerWaalsContact O-CA 3.23Å; L86-S95 WeakPolarHBondContact O-CA 3.45Å; L86-S95 WeakPolarHBondContact O-CB 3.39Å; L86-H96 WeakPolarHBondContact CB-O 3.15Å; L86-H96 PolarHBondContact N-O 3.08Å; L86-H96 PolarHBondContact O-N 3.45Å; L86-V98 HydrophobicContact CD1-CG2 3.82Å; L86-V98 HydrophobicContact CD2-CG2 4.49Å; L86-V98 HydrophobicContact CG-CG2 3.9Å; L86-F203 HydrophobicContact CD1-CB 4.36Å; L86-F203 HydrophobicContact CD1-CD1 4.24Å; L86-F203 HydrophobicContact CD1-CD2 3.85Å; L86-F203 HydrophobicContact CD1-CE2 4.18Å; L86-F203 HydrophobicContact CD1-CG 3.88Å; L86-P233 HydrophobicContact CB-CG 4.14Å
87W97.4Very high95.7Very high129 Ų12965.1 Ų65.149%0.48932%0.319SS..EExtended strand (participates in β ladder)trans-74.2121.2176.5-66.294.7000110.8V85 D89 P233 R237V85-W87 HydrophobicContact CG1-CD2 4.23Å; V85-W87 HydrophobicContact CG1-CG 4.42Å; V85-W87 HydrophobicContact CG1-CZ2 4.12Å; W87-D89 PolarHBondContact O-N 2.94Å; W87-P233 VanDerWaalsContact O-CB 3.29Å; W87-P233 WeakPolarHBondContact O-CB 3.49Å; W87-R237 PolarHBondContact O-NH1 2.91Å; W87-R237 PolarHBondContact O-NH2 2.79Å
88Y97.2Very high95.7Very high11 Ų1163.3 Ų63.34%0.04331%0.311CS..  trans-59.9132.6179.8-63.9-20.6000110.8L86 E91 Y94 H96 F203 S204 R206 T209 R237L86-Y88 PolarHBondContact O-N 3.35Å; Y88-E91 HydrophobicContact CD2-CB 4.49Å; Y88-Y94 PolarHBondContact N-O 3.05Å; Y88-Y94 VanDerWaalsContact N-O 3.1Å; Y88-H96 HydrophobicContact CE1-CB 3.75Å; Y88-F203 VanDerWaalsContact CD1-C 3.48Å; Y88-F203 HydrophobicContact CD1-CB 4.21Å; Y88-F203 WeakPolarHBondContact CD1-O 3.12Å; Y88-F203 HydrophobicContact CE1-CB 3.99Å; Y88-F203 HydrophobicContact CE1-CD1 4.31Å; Y88-S204 WeakPolarHBondContact CB-O 3.33Å; Y88-R206 HydrophobicContact CD2-CB 4.05Å; Y88-R206 HydrophobicContact CE2-CB 3.53Å; Y88-R206 HydrophobicContact CE2-CG 4.16Å; Y88-T209 PolarHBondContact OH-OG1 3.2Å; Y88-R237 PolarHBondContact O-NH1 3.45Å
89D95Very high95.8Very high19 Ų1961.2 Ų61.210%0.10230%0.303CS..SBendtrans-75.3-29.5-179.574.9-76.4000112.8W87 S204 P233 L236 R237 R252W87-D89 PolarHBondContact O-N 2.94Å; D89-S204 PolarHBondContact N-O 3.06Å; D89-S204 WeakPolarHBondContact OD1-CA 3.45Å; D89-S204 WeakPolarHBondContact OD1-CB 3.46Å; D89-S204 PolarHBondContact OD1-OG 3.4Å; D89-P233 HydrophobicContact CB-CB 4.36Å; D89-L236 HydrophobicContact CB-CB 4.17Å; D89-L236 WeakPolarHBondContact OD1-CD1 3.21Å; D89-R237 VanDerWaalsContact CA-NH1 3.32Å; D89-R237 HydrophobicContact CB-CB 3.98Å; D89-R252 IonicContact OD1-NH2 3.09Å; D89-R252 PolarHBondContact OD1-NH2 3.06Å; D89-R252 IonicContact OD2-CZ 3.92Å; D89-R252 IonicContact OD2-NE 3.64Å; D89-R252 IonicContact OD2-NH2 2.74Å; D89-R252 PolarHBondContact OD2-NH2 2.92Å
90G91Very high95.8Very high18 Ų1866.5 Ų66.519%0.18633%0.332CS..SBendtrans-89.7-6.617800000114.8S204G90-S204 WeakPolarHBondContact CA-O 3.29Å; G90-S204 PolarHBondContact N-O 3.1Å
91E90.7Very high95.7Very high42 Ų4273.1 Ų73.120%0.19636%0.362CS..  trans-144.191.2-174.9-72.3-174.4152.700111.7Y88 Y93 Y94 M205 R206Y88-E91 HydrophobicContact CD2-CB 4.49Å; E91-Y93 PolarHBondContact O-N 3.04Å; E91-Y94 HydrophobicContact CB-CD2 4.02Å; E91-Y94 PolarHBondContact O-N 2.71Å; E91-Y94 VanDerWaalsContact O-N 3.08Å; E91-M205 HydrophobicContact CG-CB 4.19Å; E91-M205 HydrophobicContact CG-CE 3.74Å; E91-M205 HydrophobicContact CG-CG 4.21Å; E91-R206 WeakPolarHBondContact OE2-CB 3.13Å; E91-R206 PolarHBondContact OE2-N 2.78Å
92Y80.8Confident95.6Very high183 Ų18370.1 Ų70.172%0.71834%0.343SS*.THydrogen-bonded Turntrans-56.6-24.8-166.7-68.1-79.6000117.1
93Y91.4Very high95.6Very high211 Ų21169 Ų6983%0.82733%0.333SS*.THydrogen-bonded Turntrans-106.13.7-176.1-57.5-67.1000113.7E91E91-Y93 PolarHBondContact O-N 3.04Å
94Y96Very high95.6Very high117 Ų11770 Ų7046%0.45933%0.333SS..  trans-116.9146.1-177.9-65.2-83000110.4Y88 E91Y88-Y94 PolarHBondContact N-O 3.05Å; Y88-Y94 VanDerWaalsContact N-O 3.1Å; E91-Y94 HydrophobicContact CB-CD2 4.02Å; E91-Y94 PolarHBondContact O-N 2.71Å; E91-Y94 VanDerWaalsContact O-N 3.08Å
95S96.9Very high95.5Very high48 Ų4867.2 Ų67.234%0.33632%0.321SS..EExtended strand (participates in β ladder)trans-149.3166.1-178.960.50000111L86L86-S95 CarbonylContact O-C 3.59Å; L86-S95 VanDerWaalsContact O-CA 3.23Å; L86-S95 WeakPolarHBondContact O-CA 3.45Å; L86-S95 WeakPolarHBondContact O-CB 3.39Å
96H97.3Very high95.5Very high33 Ų3365 Ų6515%0.15331%0.307CS..EExtended strand (participates in β ladder)trans-121.6121170.6-176.182.6000109.3L86 Y88 T102 F203L86-H96 WeakPolarHBondContact CB-O 3.15Å; L86-H96 PolarHBondContact N-O 3.08Å; L86-H96 PolarHBondContact O-N 3.45Å; Y88-H96 HydrophobicContact CE1-CB 3.75Å; H96-T102 VanDerWaalsContact NE2-CG2 3.25Å; H96-T102 WeakPolarHBondContact NE2-CG2 3.44Å; H96-T102 PolarHBondContact NE2-OG1 2.86Å; H96-F203 HydrophobicContact CB-CD1 3.9Å; H96-F203 HydrophobicContact CB-CE1 4.32Å; H96-F203 AromaticContact CD2-CD1 3.99Å; H96-F203 AromaticContact CD2-CE1 3.55Å; H96-F203 AromaticContact CG-CD1 3.9Å; H96-F203 AromaticContact CG-CE1 3.8Å; H96-F203 AromaticContact NE2-CE1 3.94Å
97T98.3Very high95.5Very high75 Ų7566.6 Ų66.646%0.4632%0.317SS..EExtended strand (participates in β ladder)trans-83.6121.5171.1-57.10000109K84 N99K84-T97 WeakPolarHBondContact O-CA 3.22Å; T97-N99 PolarHBondContact O-N 2.91Å
98V98.4Very high95.4Very high2 Ų266.2 Ų66.21%0.01232%0.32CS..  trans-59.1121.8178179.60000109.4A80 G83 K84 L86 Y103 F106A80-V98 HydrophobicContact CB-CG2 4.23Å; G83-V98 PolarHBondContact N-O 3.05Å; K84-V98 HydrophobicContact CB-CG2 4.33Å; K84-V98 WeakPolarHBondContact O-CG2 3.4Å; K84-V98 PolarHBondContact O-N 3.38Å; L86-V98 HydrophobicContact CD1-CG2 3.82Å; L86-V98 HydrophobicContact CD2-CG2 4.49Å; L86-V98 HydrophobicContact CG-CG2 3.9Å; V98-Y103 HydrophobicContact CG1-CD2 4.29Å; V98-F106 HydrophobicContact CG1-CE2 3.82Å; V98-F106 HydrophobicContact CG2-CE2 4Å
99N97.6Very high95.2Very high61 Ų6168.8 Ų68.833%0.32634%0.337SS..  trans-115.4-179.9178.866.98.9000110T97 E101 T102 Y103T97-N99 PolarHBondContact O-N 2.91Å; N99-E101 VanDerWaalsContact C-N 3.26Å; N99-E101 PolarHBondContact O-N 3.22Å; N99-E101 PolarHBondContact OD1-N 3Å; N99-T102 PolarHBondContact N-OG1 3.11Å; N99-T102 VanDerWaalsContact N-OG1 3.12Å; N99-T102 PolarHBondContact O-N 2.94Å; N99-T102 PolarHBondContact O-OG1 2.78Å; N99-T102 PolarHBondContact OD1-N 3.12Å; N99-T102 PolarHBondContact OD1-OG1 3.01Å; N99-Y103 WeakPolarHBondContact O-CB 3.31Å; N99-Y103 PolarHBondContact O-N 2.91Å
100N97.8Very high94.9Very high118 Ų11868.6 Ų68.663%0.63134%0.337SS*.Hα-helixtrans-59.6-37.4-178.9-69.8-15.3000112.7I82 S104I82-N100 VanDerWaalsContact CD1-OD1 3.31Å; I82-N100 WeakPolarHBondContact CD1-OD1 3.47Å; N100-S104 WeakPolarHBondContact O-CB 3.39Å; N100-S104 PolarHBondContact O-N 3.19Å
101E95.4Very high94.8Very high138 Ų13870.3 Ų70.365%0.64534%0.344SS*.Hα-helixtrans-65.5-54.1-179.1-62.7175.6172.200111N99 S104N99-E101 VanDerWaalsContact C-N 3.26Å; N99-E101 PolarHBondContact O-N 3.22Å; N99-E101 PolarHBondContact OD1-N 3Å; E101-S104 PolarHBondContact O-N 2.88Å; E101-S104 PolarHBondContact O-OG 3.44Å
102T96.6Very high94.8Very high5 Ų568.8 Ų68.83%0.03134%0.338CS..Hα-helixtrans-70.3-35.5179.650.60000112.9H96 N99 S104 I105 F106 F203H96-T102 VanDerWaalsContact NE2-CG2 3.25Å; H96-T102 WeakPolarHBondContact NE2-CG2 3.44Å; H96-T102 PolarHBondContact NE2-OG1 2.86Å; N99-T102 PolarHBondContact N-OG1 3.11Å; N99-T102 VanDerWaalsContact N-OG1 3.12Å; N99-T102 PolarHBondContact O-N 2.94Å; N99-T102 PolarHBondContact O-OG1 2.78Å; N99-T102 PolarHBondContact OD1-N 3.12Å; N99-T102 PolarHBondContact OD1-OG1 3.01Å; T102-S104 VanDerWaalsContact C-N 3.27Å; T102-S104 PolarHBondContact O-N 3.49Å; T102-I105 WeakPolarHBondContact O-CG1 3.38Å; T102-I105 PolarHBondContact O-N 3.21Å; T102-F106 WeakPolarHBondContact O-CD1 3.46Å; T102-F106 VanDerWaalsContact O-CE1 3.24Å; T102-F106 WeakPolarHBondContact O-CE1 3.49Å; T102-F106 WeakPolarHBondContact O-CG 3.44Å; T102-F106 WeakPolarHBondContact O-CZ 3.23Å; T102-F203 HydrophobicContact CG2-CE1 4.5Å; T102-F203 HydrophobicContact CG2-CZ 4.37Å
103Y98.1Very high95.2Very high70 Ų7067.9 Ų67.928%0.27534%0.337SS..Hα-helixtrans-60.7-38.5173-176.6-100.6000111.7K77 I82 V98 N99 I105 F106K77-Y103 HydrophobicContact CB-CE2 3.66Å; K77-Y103 HydrophobicContact CD-CE1 4.1Å; K77-Y103 HydrophobicContact CD-CE2 4.4Å; K77-Y103 WeakPolarHBondContact CE-O 3.36Å; K77-Y103 HydrophobicContact CG-CD2 4.13Å; K77-Y103 HydrophobicContact CG-CE1 4.22Å; K77-Y103 HydrophobicContact CG-CE2 3.66Å; I82-Y103 HydrophobicContact CD1-CD1 3.91Å; I82-Y103 HydrophobicContact CD1-CE1 4.34Å; I82-Y103 HydrophobicContact CD1-CG 4.05Å; I82-Y103 HydrophobicContact CG1-CD1 4Å; I82-Y103 HydrophobicContact CG1-CD2 3.89Å; I82-Y103 HydrophobicContact CG1-CG 3.6Å; V98-Y103 HydrophobicContact CG1-CD2 4.29Å; N99-Y103 WeakPolarHBondContact O-CB 3.31Å; N99-Y103 PolarHBondContact O-N 2.91Å; Y103-I105 VanDerWaalsContact C-N 3.25Å; Y103-I105 PolarHBondContact O-N 3.15Å; Y103-F106 PolarHBondContact O-N 3.08Å
104S97.4Very high95.3Very high67 Ų6762 Ų6247%0.46933%0.325SS..Hα-helixtrans-61.7-32.6-177.976.70000113.5N100 E101 T102N100-S104 WeakPolarHBondContact O-CB 3.39Å; N100-S104 PolarHBondContact O-N 3.19Å; E101-S104 PolarHBondContact O-N 2.88Å; E101-S104 PolarHBondContact O-OG 3.44Å; T102-S104 VanDerWaalsContact C-N 3.27Å; T102-S104 PolarHBondContact O-N 3.49Å
105I97.2Very high95.2Very high9 Ų957.8 Ų57.85%0.04631%0.31CS..Hα-helixtrans-89.9-6.5-17667.2172.3000113.8T102 Y103 L213 Y216 F230T102-I105 WeakPolarHBondContact O-CG1 3.38Å; T102-I105 PolarHBondContact O-N 3.21Å; Y103-I105 VanDerWaalsContact C-N 3.25Å; Y103-I105 PolarHBondContact O-N 3.15Å; I105-L213 HydrophobicContact CD1-CD2 3.35Å; I105-Y216 HydrophobicContact CB-CD1 4.28Å; I105-Y216 HydrophobicContact CB-CD2 4.25Å; I105-Y216 HydrophobicContact CB-CE1 3.77Å; I105-Y216 HydrophobicContact CB-CE2 3.73Å; I105-Y216 VanDerWaalsContact CB-CZ 3.47Å; I105-Y216 HydrophobicContact CG2-CD1 3.91Å; I105-Y216 HydrophobicContact CG2-CE1 3.28Å; I105-Y216 HydrophobicContact CG2-CE2 4.22Å; I105-Y216 VanDerWaalsContact CG2-CZ 3.47Å; I105-F230 HydrophobicContact CD1-CD2 4.5Å; I105-F230 HydrophobicContact CD1-CE2 3.48Å; I105-F230 VanDerWaalsContact CD1-CE2 3.48Å; I105-F230 HydrophobicContact CD1-CZ 3.82Å; I105-F230 HydrophobicContact CG1-CE2 3.87Å
106F97.8Very high95.2Very high8 Ų862.3 Ų62.34%0.03532%0.324CS..SBendtrans-77.3143.8175.5-61.5-17.8000111.4V75 K77 A80 V98 T102 Y103 F203 F230V75-F106 HydrophobicContact CB-CE1 4.48Å; V75-F106 HydrophobicContact CG1-CD1 4.12Å; V75-F106 HydrophobicContact CG1-CD2 3.61Å; V75-F106 HydrophobicContact CG1-CE1 3.94Å; V75-F106 HydrophobicContact CG1-CE2 3.39Å; V75-F106 HydrophobicContact CG1-CG 3.99Å; V75-F106 HydrophobicContact CG1-CZ 3.57Å; K77-F106 WeakPolarHBondContact CE-O 3.34Å; K77-F106 HydrophobicContact CG-CB 3.97Å; A80-F106 HydrophobicContact CB-CE2 4.28Å; V98-F106 HydrophobicContact CG1-CE2 3.82Å; V98-F106 HydrophobicContact CG2-CE2 4Å; T102-F106 WeakPolarHBondContact O-CD1 3.46Å; T102-F106 VanDerWaalsContact O-CE1 3.24Å; T102-F106 WeakPolarHBondContact O-CE1 3.49Å; T102-F106 WeakPolarHBondContact O-CG 3.44Å; T102-F106 WeakPolarHBondContact O-CZ 3.23Å; Y103-F106 PolarHBondContact O-N 3.08Å; F106-F203 AromaticContact CE1-CE2 3.59Å; F106-F203 HydrophobicContact CE1-CE2 3.59Å; F106-F203 AromaticContact CE1-CZ 3.76Å; F106-F203 HydrophobicContact CE1-CZ 3.76Å; F106-F203 AromaticContact CZ-CE2 3.71Å; F106-F203 HydrophobicContact CZ-CE2 3.71Å; F106-F203 AromaticContact CZ-CZ 3.73Å; F106-F203 HydrophobicContact CZ-CZ 3.73Å; F106-F230 AromaticContact CD1-CD2 3.91Å; F106-F230 HydrophobicContact CD1-CD2 3.91Å; F106-F230 HydrophobicContact CD1-CE2 4.43Å; F106-F230 AromaticContact CE1-CD2 3.93Å; F106-F230 HydrophobicContact CE1-CD2 3.93Å; F106-F230 HydrophobicContact CE1-CE2 4.49Å
107V96.6Very high95.2Very high35 Ų3566.1 Ų66.121%0.21234%0.34CS..BIsolated β-bridgetrans-67.3153.7169.5-640000110.3T76 K77 T109 T227 L229T76-V107 CarbonylContact C-O 3.6Å; T76-V107 VanDerWaalsContact CA-O 3.28Å; T76-V107 WeakPolarHBondContact CA-O 3.2Å; T76-V107 WeakPolarHBondContact CB-O 3.43Å; T76-V107 HydrophobicContact CG2-CG2 3.89Å; K77-V107 PolarHBondContact N-O 3.02Å; V107-T109 WeakPolarHBondContact CG2-O 3.39Å; V107-T227 HydrophobicContact CG1-CG2 4.38Å; V107-L229 HydrophobicContact CB-CD2 4.45Å; V107-L229 HydrophobicContact CG1-CD2 3.68Å; V107-L229 HydrophobicContact CG2-CD2 3.94Å
108Q95.4Very high95.3Very high120 Ų12062.7 Ų62.756%0.56132%0.319SS*.SBendtrans-61.3-54.4-179-66.6-64.7-100111.6T76 K77 E78T76-Q108 WeakPolarHBondContact CB-O 3.47Å; K77-Q108 PolarHBondContact N-O 3.46Å; E78-Q108 WeakPolarHBondContact CG-O 3.36Å; E78-Q108 PolarHBondContact N-O 2.94Å
109T93.9Very high95.3Very high65 Ų6562.6 Ų62.640%0.39932%0.319SS..SBendtrans-140.5171.7178.7-163.10000110.2E78 V107 P111E78-T109 WeakPolarHBondContact OE2-CB 3.34Å; E78-T109 PolarHBondContact OE2-OG1 3.47Å; V107-T109 WeakPolarHBondContact CG2-O 3.39Å; T109-P111 WeakPolarHBondContact O-CD 3.27Å
110T88.4Confident95.3Very high15 Ų1559.7 Ų59.79%0.09230%0.303CS..  trans-60.8122.3177.5-790000109.9R70 F73 S74 L112R70-T110 VanDerWaalsContact O-CB 3.22Å; R70-T110 WeakPolarHBondContact O-CB 3.5Å; R70-T110 WeakPolarHBondContact O-CG2 3.31Å; R70-T110 PolarHBondContact O-OG1 3.29Å; F73-T110 HydrophobicContact CD1-CG2 3.72Å; F73-T110 HydrophobicContact CE1-CG2 3.36Å; S74-T110 PolarHBondContact OG-OG1 3.08Å; T110-L112 HydrophobicContact CG2-CB 3.98Å; T110-L112 PolarHBondContact O-N 2.82Å
111P88.8Confident95.4Very high54 Ų5454.2 Ų54.235%0.35127%0.274SS..  trans-78.1-5.1-176.232.6-37000113.2T109 F197 L229T109-P111 WeakPolarHBondContact O-CD 3.27Å; P111-F197 HydrophobicContact CB-CE1 3.92Å; P111-F197 HydrophobicContact CB-CZ 3.78Å; P111-F197 HydrophobicContact CG-CD1 4.31Å; P111-F197 HydrophobicContact CG-CE1 3.67Å; P111-F197 HydrophobicContact CG-CZ 3.81Å; P111-L229 HydrophobicContact CG-CD1 4.03Å; P111-L229 HydrophobicContact CG-CD2 4.06Å
112L90.4Very high95.5Very high10 Ų1047.9 Ų47.95%0.05225%0.246CC..PPolyproline II helixtrans-90124.9-176.4-56.1-175.9000110.8F73 T110 F141 F197 L262 M266F73-L112 HydrophobicContact CD1-CD1 4.39Å; F73-L112 HydrophobicContact CD2-CD1 4.41Å; F73-L112 HydrophobicContact CE1-CD1 3.91Å; F73-L112 HydrophobicContact CE1-CG 4.06Å; F73-L112 HydrophobicContact CE2-CD1 3.9Å; F73-L112 HydrophobicContact CZ-CD1 3.58Å; F73-L112 HydrophobicContact CZ-CG 3.84Å; T110-L112 HydrophobicContact CG2-CB 3.98Å; T110-L112 PolarHBondContact O-N 2.82Å; L112-F141 HydrophobicContact CD2-CE2 3.94Å; L112-F141 HydrophobicContact CD2-CZ 3.74Å; L112-F197 HydrophobicContact CD2-CD2 4.27Å; L112-F197 HydrophobicContact CD2-CE2 3.97Å; L112-L262 HydrophobicContact CD1-CD1 4.44Å; L112-L262 HydrophobicContact CD1-CD2 4.21Å; L112-M266 HydrophobicContact CB-CE 3.87Å
113K89.8Confident95.6Very high164 Ų16448.3 Ų48.371%0.71325%0.248SC*.PPolyproline II helixtrans-93.1164.8167.3-64.5-176.8-178.3179.60109.2L115K113-L115 WeakPolarHBondContact O-CG 2.99Å; K113-L115 PolarHBondContact O-N 3.02Å
114P92.6Very high95.6Very high89 Ų8945.3 Ų45.358%0.57824%0.239SC*.PPolyproline II helixtrans-49.6136.9168.7-27.436000111.4
115L95.4Very high95.6Very high27 Ų2742.4 Ų42.414%0.14122%0.219CC..EExtended strand (participates in β ladder)trans-115.2153.9-171.9-59.4170.5000109.5K113 C118 F141 M143 M266 C267 D268K113-L115 WeakPolarHBondContact O-CG 2.99Å; K113-L115 PolarHBondContact O-N 3.02Å; L115-C118 VanDerWaalsContact CB-SG 3.59Å; L115-F141 HydrophobicContact CD1-CB 3.8Å; L115-F141 HydrophobicContact CD1-CD1 3.9Å; L115-F141 HydrophobicContact CD1-CD2 3.87Å; L115-F141 HydrophobicContact CD1-CE1 4.43Å; L115-F141 HydrophobicContact CD1-CE2 4.4Å; L115-F141 HydrophobicContact CD1-CG 3.59Å; L115-F141 HydrophobicContact CD2-CB 4.2Å; L115-F141 HydrophobicContact CD2-CD2 3.82Å; L115-F141 HydrophobicContact CD2-CG 4.21Å; L115-F141 HydrophobicContact CG-CB 4.45Å; L115-M143 HydrophobicContact CD1-CE 4.32Å; L115-M266 PolarHBondContact N-O 3.06Å; L115-C267 HydrophobicContact CB-CB 4.36Å; L115-C267 CarbonylContact O-C 3.44Å; L115-C267 VanDerWaalsContact O-CA 3.23Å; L115-C267 WeakPolarHBondContact O-CA 3.49Å; L115-D268 PolarHBondContact O-N 2.74Å
116K96Very high95.6Very high144 Ų14443.1 Ų43.163%0.62622%0.223SC*.EExtended strand (participates in β ladder)trans-88.4-92.3176.3-70.6-178.4-179.4-177.50110.2D140 D268 E269K116-D140 WeakPolarHBondContact CB-OD2 3.37Å; K116-D268 PolarHBondContact O-N 3.04Å; K116-E269 PolarHBondContact O-N 3.37Å
117K98.1Very high95.6Very high112 Ų11242.9 Ų42.949%0.48722%0.222SC..EExtended strand (participates in β ladder)trans-95.7118.7-178.4-63-176.5175.2-1750111D140 F141 E269K117-D140 WeakPolarHBondContact CB-OD2 3.17Å; K117-D140 PolarHBondContact N-OD2 2.97Å; K117-D140 WeakPolarHBondContact O-CB 3.46Å; K117-D140 PolarHBondContact O-N 2.88Å; K117-F141 PolarHBondContact O-N 2.95Å; K117-E269 HydrophobicContact CG-CB 4.34Å
118C98.8Very high95.5Very high3 Ų344.9 Ų44.92%0.0223%0.226CC..EExtended strand (participates in β ladder)trans-112136.6178.7-660000111.6L115 F141 A263 C267 E269 T271L115-C118 VanDerWaalsContact CB-SG 3.59Å; C118-F141 WeakPolarHBondContact CA-O 3.01Å; C118-A263 HydrophobicContact CB-CB 4.48Å; C118-C267 HydrophobicContact CB-CB 3.66Å; C118-C267 WeakPolarHBondContact CB-SG 3.43Å; C118-C267 WeakPolarHBondContact SG-CB 3.33Å; C118-C267 CovalentContact SG-SG 2.02Å; C118-C267 PolarHBondContact SG-SG 3.17Å; C118-E269 PolarHBondContact N-O 3.3Å; C118-T271 PolarHBondContact O-N 3Å
119A98.9Very high95.5Very high1 Ų145.1 Ų45.11%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-106.3124.4166.300000109.6I136 A139 F141 V142 M143 T271 Y273A119-I136 HydrophobicContact CB-CG2 4.36Å; A119-A139 HydrophobicContact CB-CB 3.66Å; A119-F141 PolarHBondContact N-O 3.44Å; A119-V142 HydrophobicContact CB-CG1 4.48Å; A119-V142 HydrophobicContact CB-CG2 4.32Å; A119-V142 WeakPolarHBondContact O-CA 3.37Å; A119-M143 PolarHBondContact O-N 3.27Å; A119-T271 WeakPolarHBondContact CA-O 3.18Å; A119-Y273 HydrophobicContact CB-CD2 4.23Å; A119-Y273 HydrophobicContact CB-CE2 3.83Å
120V98.9Very high95.6Very high0 Ų042.3 Ų42.30%021%0.209CC..EExtended strand (participates in β ladder)trans-105.8117.2168.7-170.80000108.1M143 L259 V260 A263 V270 T271 V272 Y273 F275V120-M143 HydrophobicContact CG1-CB 4.4Å; V120-M143 HydrophobicContact CG2-CB 4.42Å; V120-M143 HydrophobicContact CG2-SD 4.25Å; V120-L259 HydrophobicContact CG1-CB 3.72Å; V120-L259 HydrophobicContact CG1-CD1 4.48Å; V120-V260 HydrophobicContact CB-CG2 4.38Å; V120-V260 HydrophobicContact CG1-CG2 4.13Å; V120-A263 HydrophobicContact CG2-CB 3.66Å; V120-V270 HydrophobicContact CG2-CG1 4.25Å; V120-T271 PolarHBondContact N-O 3.36Å; V120-V272 HydrophobicContact CB-CG1 4.2Å; V120-V272 CarbonylContact O-C 3.45Å; V120-V272 WeakPolarHBondContact O-CA 3.27Å; V120-Y273 PolarHBondContact O-N 3.17Å; V120-F275 HydrophobicContact CB-CE2 4.3Å; V120-F275 HydrophobicContact CG1-CE2 3.92Å; V120-F275 HydrophobicContact CG1-CZ 3.78Å
121V98.9Very high96Very high2 Ų245.1 Ų45.11%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-107.8105.3-175-169.90000108.5L127 I136 V142 M143 R144 C145V121-L127 HydrophobicContact CG1-CD1 4.08Å; V121-I136 HydrophobicContact CG1-CD1 4.37Å; V121-I136 HydrophobicContact CG2-CD1 4.19Å; V121-I136 HydrophobicContact CG2-CG1 4.3Å; V121-I136 HydrophobicContact CG2-CG2 3.7Å; V121-V142 HydrophobicContact CG2-CG1 4.06Å; V121-M143 PolarHBondContact N-O 2.91Å; V121-R144 HydrophobicContact CB-CG 4.35Å; V121-C145 PolarHBondContact O-N 3.03Å; V121-C145 PolarHBondContact O-SG 3.28Å
122G98.4Very high96.5Very high6 Ų642.6 Ų42.66%0.06220%0.204CC..  trans-73.6177.2164.700000111.1L127 Y273G122-L127 WeakPolarHBondContact O-CD1 3.41Å; G122-Y273 PolarHBondContact N-O 3.46Å
123N98.2Very high96.8Very high14 Ų1442.2 Ų42.28%0.07520%0.202CC..  trans-104.54.4-172.9-65.8-15.7000113.6C145 P148 H290 Y291 Y292N123-C145 PolarHBondContact ND2-O 2.99Å; N123-C145 PolarHBondContact OD1-O 2.92Å; N123-P148 WeakPolarHBondContact OD1-CB 3.31Å; N123-H290 VanDerWaalsContact CB-CD2 3.46Å; N123-H290 WeakPolarHBondContact CB-CD2 3.03Å; N123-H290 CarbonylContact O-C 3.49Å; N123-H290 WeakPolarHBondContact O-CA 3.3Å; N123-Y291 HydrophobicContact CB-CE1 4.47Å; N123-Y291 WeakPolarHBondContact O-CD1 3.41Å; N123-Y291 PolarHBondContact O-N 3.31Å; N123-Y292 HydrophobicContact CB-CE1 3.95Å; N123-Y292 PolarHBondContact ND2-OH 2.86Å
124G97.8Very high97.2Very high7 Ų744.7 Ų44.77%0.07221%0.207CC..BIsolated β-bridgetrans-55.2141.5-171.500000113.8I126 L127 G274 H289G124-I126 PolarHBondContact O-N 3.34Å; G124-L127 PolarHBondContact O-N 3.48Å; G124-L127 VanDerWaalsContact O-N 3.13Å; G124-G274 VanDerWaalsContact CA-O 3.3Å; G124-G274 WeakPolarHBondContact CA-O 2.91Å; G124-G274 PolarHBondContact N-O 3.37Å; G124-H289 WeakPolarHBondContact CA-O 3.44Å
125G97.1Very high97.4Very high6 Ų642.6 Ų42.66%0.06219%0.192CC..G310 helixtrans-58.7-19.2-179.900000114.9L127 R128 S288 H289G125-L127 PolarHBondContact O-N 2.92Å; G125-R128 VanDerWaalsContact O-CB 3.32Å; G125-R128 WeakPolarHBondContact O-CB 3.49Å; G125-R128 PolarHBondContact O-N 3.2Å; G125-S288 VanDerWaalsContact CA-O 3.26Å; G125-S288 WeakPolarHBondContact CA-O 3.38Å; G125-S288 PolarHBondContact N-O 2.95Å; G125-H289 PolarHBondContact N-O 3.11Å; G125-H289 VanDerWaalsContact N-O 3.12Å
126I96.6Very high97.6Very high23 Ų2341.3 Ų41.312%0.11819%0.185CC..G310 helixtrans-56.5-20.2174.3-159.162.6000113.5G124 R128 W276 L282 I287 V324G124-I126 PolarHBondContact O-N 3.34Å; I126-R128 VanDerWaalsContact C-N 3.28Å; I126-W276 HydrophobicContact CB-CB 3.77Å; I126-W276 HydrophobicContact CB-CG 3.9Å; I126-W276 HydrophobicContact CD1-CG 4.5Å; I126-W276 HydrophobicContact CG1-CB 4.35Å; I126-W276 HydrophobicContact CG1-CD2 4.43Å; I126-W276 HydrophobicContact CG1-CG 4.15Å; I126-W276 HydrophobicContact CG2-CB 3.49Å; I126-W276 VanDerWaalsContact CG2-CB 3.49Å; I126-W276 HydrophobicContact CG2-CG 4.16Å; I126-L282 HydrophobicContact CD1-CG 4.36Å; I126-I287 HydrophobicContact CB-CD1 4.33Å; I126-I287 HydrophobicContact CD1-CD1 4.25Å; I126-V324 HydrophobicContact CD1-CG1 4.41Å; I126-V324 HydrophobicContact CG1-CG1 3.8Å
127L97.6Very high97.7Very high4 Ų436.3 Ų36.32%0.02117%0.165CC..G310 helixtrans-71.1-23.6175.4-73.2171.4000112.7V121 G122 G124 G125 H129 S130 D157 V158 Y291V121-L127 HydrophobicContact CG1-CD1 4.08Å; G122-L127 WeakPolarHBondContact O-CD1 3.41Å; G124-L127 PolarHBondContact O-N 3.48Å; G124-L127 VanDerWaalsContact O-N 3.13Å; G125-L127 PolarHBondContact O-N 2.92Å; L127-H129 PolarHBondContact O-N 3.06Å; L127-S130 WeakPolarHBondContact O-CB 3.33Å; L127-S130 PolarHBondContact O-N 3.25Å; L127-S130 PolarHBondContact O-OG 3.31Å; L127-D157 VanDerWaalsContact O-CB 3.31Å; L127-D157 WeakPolarHBondContact O-CB 3.18Å; L127-V158 HydrophobicContact CB-CG1 4.13Å; L127-V158 HydrophobicContact CD1-CG1 3.95Å; L127-Y291 HydrophobicContact CB-CD1 4.48Å; L127-Y291 HydrophobicContact CD1-CD1 3.98Å; L127-Y291 HydrophobicContact CD1-CE1 4.42Å
128R96Very high97.7Very high77 Ų7737.5 Ų37.529%0.29117%0.172SC..THydrogen-bonded Turntrans-61.1128.1-176.1-165.870.8-177.5124.1-10.9110.1G125 I126 S130 E153 D157G125-R128 VanDerWaalsContact O-CB 3.32Å; G125-R128 WeakPolarHBondContact O-CB 3.49Å; G125-R128 PolarHBondContact O-N 3.2Å; I126-R128 VanDerWaalsContact C-N 3.28Å; R128-S130 PolarHBondContact O-N 3.32Å; R128-S130 VanDerWaalsContact O-N 3.15Å; R128-E153 IonicContact CZ-OE1 3.62Å; R128-E153 PolarHBondContact NH1-O 3.18Å; R128-E153 VanDerWaalsContact NH1-O 3.14Å; R128-E153 VanDerWaalsContact NH2-CG 3.27Å; R128-E153 IonicContact NH2-OE1 3.9Å; R128-E153 PolarHBondContact NH2-OE1 3.4Å; R128-D157 IonicContact NH1-OD2 3.83Å; R128-D157 PolarHBondContact NH1-OD2 2.9Å; R128-D157 VanDerWaalsContact NH1-OD2 3.09Å
129H94.9Very high97.7Very high124 Ų12437.9 Ų37.957%0.57418%0.175SC*.THydrogen-bonded Turntrans63.68.1-176.4-49.4-57.2000116.2L127 K131 D157L127-H129 PolarHBondContact O-N 3.06Å; H129-K131 PolarHBondContact O-N 2.98Å; H129-D157 VanDerWaalsContact CA-OD1 3.28Å; H129-D157 WeakPolarHBondContact CA-OD1 3.49Å; H129-D157 PolarHBondContact N-OD1 2.91Å; H129-D157 PolarHBondContact N-OD2 2.03Å
130S96.1Very high97.7Very high6 Ų641.8 Ų41.84%0.04220%0.196CC..  trans-66.1-22.8178.665.70000114L127 R128 C132 D157 S326 C327L127-S130 WeakPolarHBondContact O-CB 3.33Å; L127-S130 PolarHBondContact O-N 3.25Å; L127-S130 PolarHBondContact O-OG 3.31Å; R128-S130 PolarHBondContact O-N 3.32Å; R128-S130 VanDerWaalsContact O-N 3.15Å; S130-C132 PolarHBondContact O-N 2.9Å; S130-C132 PolarHBondContact OG-N 2.81Å; S130-D157 PolarHBondContact N-OD1 3.33Å; S130-S326 CarbonylContact O-C 3.53Å; S130-S326 WeakPolarHBondContact O-CA 3.5Å; S130-S326 PolarHBondContact O-OG 2.86Å; S130-C327 PolarHBondContact O-N 2.9Å
131K97.3Very high97.6Very high74 Ų7442.5 Ų42.532%0.32220%0.199SC..  trans57.924.4-173.1-51.8-55.5174-161.10114.6H129 G133 A156 D157 R328H129-K131 PolarHBondContact O-N 2.98Å; K131-G133 VanDerWaalsContact C-N 3.26Å; K131-G133 PolarHBondContact O-N 2.95Å; K131-A156 CarbonylContact C-O 3.58Å; K131-A156 WeakPolarHBondContact CA-O 3.48Å; K131-A156 HydrophobicContact CD-CB 4.07Å; K131-D157 PolarHBondContact N-OD1 2.96Å; K131-D157 VanDerWaalsContact N-OD1 3.1Å; K131-D157 IonicContact NZ-OD1 2.74Å; K131-R328 HydrophobicContact CB-CG 4.21Å; K131-R328 HydrophobicContact CG-CG 4.32Å
132C98Very high97.6Very high1 Ų142.4 Ų42.41%0.00720%0.199CC..THydrogen-bonded Turntrans-78-1.5-179.3-67.70000115.1S130 R134 D135 I136 D157 Y273 C327S130-C132 PolarHBondContact O-N 2.9Å; S130-C132 PolarHBondContact OG-N 2.81Å; C132-R134 VanDerWaalsContact C-N 3.34Å; C132-R134 PolarHBondContact O-N 2.85Å; C132-D135 WeakPolarHBondContact O-CB 3.4Å; C132-D135 PolarHBondContact O-N 3.16Å; C132-I136 HydrophobicContact CB-CD1 4.16Å; C132-I136 WeakPolarHBondContact O-CG1 3.27Å; C132-I136 PolarHBondContact O-N 3.2Å; C132-D157 CarbonylContact C-O 3.54Å; C132-D157 WeakPolarHBondContact CB-O 3.27Å; C132-D157 PolarHBondContact N-O 3.07Å; C132-Y273 HydrophobicContact CB-CD1 4.22Å; C132-Y273 HydrophobicContact CB-CE1 4.39Å; C132-C327 WeakPolarHBondContact CA-SG 3.31Å; C132-C327 HydrophobicContact CB-CB 3.82Å; C132-C327 WeakPolarHBondContact CB-SG 3.46Å; C132-C327 WeakPolarHBondContact SG-CB 3.23Å; C132-C327 CovalentContact SG-SG 2.03Å; C132-C327 PolarHBondContact SG-SG 2.71Å
133G98.2Very high97.7Very high2 Ų242.1 Ų42.12%0.02120%0.196CC..Hα-helixtrans-59.3-41.7-173.600000113.8K131 D135 D137 A156 D157K131-G133 VanDerWaalsContact C-N 3.26Å; K131-G133 PolarHBondContact O-N 2.95Å; G133-D135 VanDerWaalsContact C-N 3.33Å; G133-D135 PolarHBondContact O-N 3.05Å; G133-D137 WeakPolarHBondContact O-CB 3.41Å; G133-D137 VanDerWaalsContact O-CG 3.22Å; G133-D137 PolarHBondContact O-N 2.84Å; G133-A156 WeakPolarHBondContact CA-O 3.27Å; G133-A156 PolarHBondContact N-O 3.3Å; G133-D157 PolarHBondContact N-O 2.02Å; G133-D157 VanDerWaalsContact N-O 3.1Å
134R97.8Very high97.7Very high216 Ų21641.5 Ų41.582%0.81519%0.192SC*.Hα-helixtrans-68.5-31.2176-67.2-174-171.7166.41.8113.2C132 Q138C132-R134 VanDerWaalsContact C-N 3.34Å; C132-R134 PolarHBondContact O-N 2.85Å; R134-Q138 WeakPolarHBondContact O-CG 3.33Å; R134-Q138 PolarHBondContact O-N 3.32Å; R134-Q138 PolarHBondContact O-NE2 2.81Å
135D97.6Very high97.7Very high46 Ų4641.4 Ų41.425%0.24619%0.19CC..Hα-helixtrans-73.2-44.8179.2-166.543.9000110.2C132 G133 D137 Q138 Y273 C327C132-D135 WeakPolarHBondContact O-CB 3.4Å; C132-D135 PolarHBondContact O-N 3.16Å; G133-D135 VanDerWaalsContact C-N 3.33Å; G133-D135 PolarHBondContact O-N 3.05Å; D135-D137 VanDerWaalsContact C-N 3.35Å; D135-D137 PolarHBondContact O-N 3.31Å; D135-Q138 WeakPolarHBondContact O-CB 3.27Å; D135-Q138 PolarHBondContact O-N 3.24Å; D135-Y273 WeakPolarHBondContact OD2-CE1 3.17Å; D135-Y273 PolarHBondContact OD2-OH 3.46Å; D135-C327 HydrophobicContact CB-CB 4.22Å
136I98.6Very high97.7Very high0 Ų043 Ų430%020%0.198CC..Hα-helixtrans-57.4-48.1172.4-68.8163.9000110.8A119 V121 C132 Q138 A139 V142 Y273A119-I136 HydrophobicContact CB-CG2 4.36Å; V121-I136 HydrophobicContact CG1-CD1 4.37Å; V121-I136 HydrophobicContact CG2-CD1 4.19Å; V121-I136 HydrophobicContact CG2-CG1 4.3Å; V121-I136 HydrophobicContact CG2-CG2 3.7Å; C132-I136 HydrophobicContact CB-CD1 4.16Å; C132-I136 WeakPolarHBondContact O-CG1 3.27Å; C132-I136 PolarHBondContact O-N 3.2Å; I136-Q138 PolarHBondContact O-N 3.22Å; I136-Q138 VanDerWaalsContact O-N 3.15Å; I136-A139 WeakPolarHBondContact O-CB 3.34Å; I136-A139 PolarHBondContact O-N 3.22Å; I136-A139 VanDerWaalsContact O-N 3.15Å; I136-V142 HydrophobicContact CG2-CG1 4Å; I136-V142 HydrophobicContact CG2-CG2 4.5Å; I136-Y273 HydrophobicContact CD1-CD1 4.16Å; I136-Y273 HydrophobicContact CD1-CD2 4.48Å; I136-Y273 HydrophobicContact CD1-CG 4.07Å; I136-Y273 HydrophobicContact CG1-CD1 3.8Å; I136-Y273 HydrophobicContact CG1-CD2 3.77Å; I136-Y273 HydrophobicContact CG1-CE1 3.87Å; I136-Y273 HydrophobicContact CG1-CE2 3.84Å; I136-Y273 HydrophobicContact CG1-CG 3.75Å
137D98.5Very high97.8Very high38 Ų3841.9 Ų41.920%0.20319%0.192CC..THydrogen-bonded Turntrans-72-5.5-175.8-69.9-15.4000113.2G133 D135 R144 G159 N160 K161G133-D137 WeakPolarHBondContact O-CB 3.41Å; G133-D137 VanDerWaalsContact O-CG 3.22Å; G133-D137 PolarHBondContact O-N 2.84Å; D135-D137 VanDerWaalsContact C-N 3.35Å; D135-D137 PolarHBondContact O-N 3.31Å; D137-R144 IonicContact OD1-NH2 3.01Å; D137-G159 WeakPolarHBondContact OD1-CA 3.45Å; D137-G159 VanDerWaalsContact OD2-CA 3.24Å; D137-G159 WeakPolarHBondContact OD2-CA 3.31Å; D137-N160 PolarHBondContact OD1-N 2.86Å; D137-N160 PolarHBondContact OD2-N 3.01Å; D137-N160 PolarHBondContact OD2-OD1 3.48Å; D137-K161 HydrophobicContact CB-CB 4.09Å; D137-K161 WeakPolarHBondContact O-CD 3.38Å; D137-K161 WeakPolarHBondContact O-CE 3.21Å; D137-K161 PolarHBondContact O-NZ 2.83Å; D137-K161 WeakPolarHBondContact OD1-CB 3.44Å; D137-K161 PolarHBondContact OD1-N 2.92Å
138Q97.9Very high97.8Very high138 Ų13841.8 Ų41.865%0.64519%0.191SC*.THydrogen-bonded Turntrans-80.7-16.2170.9-78.5167.46600113.5R134 D135 I136R134-Q138 WeakPolarHBondContact O-CG 3.33Å; R134-Q138 PolarHBondContact O-N 3.32Å; R134-Q138 PolarHBondContact O-NE2 2.81Å; D135-Q138 WeakPolarHBondContact O-CB 3.27Å; D135-Q138 PolarHBondContact O-N 3.24Å; I136-Q138 PolarHBondContact O-N 3.22Å; I136-Q138 VanDerWaalsContact O-N 3.15Å
139A98.4Very high97.9Very high10 Ų1039 Ų398%0.08318%0.184CC..SBendtrans-64.4151177.800000112.2A119 I136 F141 V142 K161A119-A139 HydrophobicContact CB-CB 3.66Å; I136-A139 WeakPolarHBondContact O-CB 3.34Å; I136-A139 PolarHBondContact O-N 3.22Å; I136-A139 VanDerWaalsContact O-N 3.15Å; A139-F141 VanDerWaalsContact C-N 3.32Å; A139-V142 HydrophobicContact CB-CG2 4.12Å; A139-K161 WeakPolarHBondContact O-CD 2.88Å; A139-K161 PolarHBondContact O-NZ 2.53Å
140D98.1Very high98Very high84 Ų8434.1 Ų34.145%0.44916%0.162SC..SBendtrans-72.5-31.3174.9-58.4-55.9000110.9K116 K117 H163K116-D140 WeakPolarHBondContact CB-OD2 3.37Å; K117-D140 WeakPolarHBondContact CB-OD2 3.17Å; K117-D140 PolarHBondContact N-OD2 2.97Å; K117-D140 WeakPolarHBondContact O-CB 3.46Å; K117-D140 PolarHBondContact O-N 2.88Å; D140-H163 PolarHBondContact O-CE1 3.47Å; D140-H163 VanDerWaalsContact O-CE1 3.23Å; D140-H163 PolarHBondContact O-NE2 2.8Å
141F98.6Very high97.9Very high15 Ų1537.2 Ų37.27%0.06618%0.18CC..EExtended strand (participates in β ladder)trans-138.5133.2177.7-158.6-88.5000111.1L112 L115 K117 C118 A119 A139 M143 H163 L164L112-F141 HydrophobicContact CD2-CE2 3.94Å; L112-F141 HydrophobicContact CD2-CZ 3.74Å; L115-F141 HydrophobicContact CD1-CB 3.8Å; L115-F141 HydrophobicContact CD1-CD1 3.9Å; L115-F141 HydrophobicContact CD1-CD2 3.87Å; L115-F141 HydrophobicContact CD1-CE1 4.43Å; L115-F141 HydrophobicContact CD1-CE2 4.4Å; L115-F141 HydrophobicContact CD1-CG 3.59Å; L115-F141 HydrophobicContact CD2-CB 4.2Å; L115-F141 HydrophobicContact CD2-CD2 3.82Å; L115-F141 HydrophobicContact CD2-CG 4.21Å; L115-F141 HydrophobicContact CG-CB 4.45Å; K117-F141 PolarHBondContact O-N 2.95Å; C118-F141 WeakPolarHBondContact CA-O 3.01Å; A119-F141 PolarHBondContact N-O 3.44Å; A139-F141 VanDerWaalsContact C-N 3.32Å; F141-M143 HydrophobicContact CD1-CE 3.65Å; F141-M143 HydrophobicContact CD1-CG 3.74Å; F141-M143 HydrophobicContact CE1-CE 3.76Å; F141-M143 HydrophobicContact CE1-CG 3.71Å; F141-H163 HydrophobicContact CD1-CB 4.03Å; F141-H163 HydrophobicContact CD2-CB 3.62Å; F141-H163 AromaticContact CD2-CG 3.89Å; F141-H163 HydrophobicContact CE1-CB 3.86Å; F141-H163 HydrophobicContact CE2-CB 3.44Å; F141-H163 VanDerWaalsContact CE2-CB 3.44Å; F141-H163 HydrophobicContact CG-CB 3.92Å; F141-H163 HydrophobicContact CZ-CB 3.57Å; F141-L164 HydrophobicContact CE1-CB 3.75Å; F141-L164 HydrophobicContact CZ-CB 3.95Å
142V98.9Very high97.9Very high0 Ų043.1 Ų43.10%021%0.206CC..EExtended strand (participates in β ladder)trans-123.2120.3-176.9-175.80000109.7A119 V121 I136 A139 R144 K161 H163 L164A119-V142 HydrophobicContact CB-CG1 4.48Å; A119-V142 HydrophobicContact CB-CG2 4.32Å; A119-V142 WeakPolarHBondContact O-CA 3.37Å; V121-V142 HydrophobicContact CG2-CG1 4.06Å; I136-V142 HydrophobicContact CG2-CG1 4Å; I136-V142 HydrophobicContact CG2-CG2 4.5Å; A139-V142 HydrophobicContact CB-CG2 4.12Å; V142-R144 HydrophobicContact CG1-CG 4.21Å; V142-K161 HydrophobicContact CB-CG 4.46Å; V142-K161 WeakPolarHBondContact CB-O 3.33Å; V142-K161 VanDerWaalsContact CG1-O 3.23Å; V142-K161 WeakPolarHBondContact CG1-O 3.48Å; V142-K161 HydrophobicContact CG2-CB 4.11Å; V142-K161 HydrophobicContact CG2-CD 3.72Å; V142-K161 HydrophobicContact CG2-CG 3.78Å; V142-H163 PolarHBondContact N-ND1 3.35Å; V142-H163 VanDerWaalsContact N-ND1 3.14Å; V142-H163 PolarHBondContact O-N 2.91Å; V142-L164 PolarHBondContact O-N 3.42Å; V142-L164 VanDerWaalsContact O-N 3.1Å
143M98.9Very high97.8Very high0 Ų048.2 Ų48.20%023%0.23CC..EExtended strand (participates in β ladder)trans-107.1125.3179.1-57-177.3-168.700109.7L115 A119 V120 V121 F141 L164 L259 L262 A263L115-M143 HydrophobicContact CD1-CE 4.32Å; A119-M143 PolarHBondContact O-N 3.27Å; V120-M143 HydrophobicContact CG1-CB 4.4Å; V120-M143 HydrophobicContact CG2-CB 4.42Å; V120-M143 HydrophobicContact CG2-SD 4.25Å; V121-M143 PolarHBondContact N-O 2.91Å; F141-M143 HydrophobicContact CD1-CE 3.65Å; F141-M143 HydrophobicContact CD1-CG 3.74Å; F141-M143 HydrophobicContact CE1-CE 3.76Å; F141-M143 HydrophobicContact CE1-CG 3.71Å; M143-L164 CarbonylContact C-O 3.5Å; M143-L164 VanDerWaalsContact CA-O 3.29Å; M143-L164 WeakPolarHBondContact CA-O 3.46Å; M143-L164 HydrophobicContact CB-CD2 4.49Å; M143-L164 HydrophobicContact CG-CB 4.43Å; M143-L259 HydrophobicContact CB-CD1 4.1Å; M143-L259 HydrophobicContact SD-CB 4.42Å; M143-L262 HydrophobicContact CE-CD2 4.23Å; M143-L262 HydrophobicContact CE-CG 4.23Å; M143-L262 HydrophobicContact SD-CD2 4.21Å; M143-L262 HydrophobicContact SD-CG 4.48Å; M143-A263 HydrophobicContact CE-CB 4.13Å; M143-A263 HydrophobicContact SD-CB 4.19Å
144R98.9Very high97.8Very high0 Ų049.4 Ų49.40%023%0.234CC..EExtended strand (participates in β ladder)trans-119.9148.7-178.5-62.2-173.7-177.3-86.9-3.3111.8V121 D137 V142 P148 V158 K161 T162 L164 V165 T166V121-R144 HydrophobicContact CB-CG 4.35Å; D137-R144 IonicContact OD1-NH2 3.01Å; V142-R144 HydrophobicContact CG1-CG 4.21Å; R144-P148 HydrophobicContact CB-CG 4.25Å; R144-V158 VanDerWaalsContact CZ-O 3.29Å; R144-V158 PolarHBondContact NH1-O 2.9Å; R144-V158 PolarHBondContact NH2-O 3.24Å; R144-K161 PolarHBondContact NE-O 3.24Å; R144-K161 VanDerWaalsContact NE-O 3.14Å; R144-K161 PolarHBondContact NH2-O 3.42Å; R144-T162 WeakPolarHBondContact CD-OG1 3.35Å; R144-T162 HydrophobicContact CG-CG2 4.26Å; R144-T162 PolarHBondContact NE-OG1 2.93Å; R144-L164 PolarHBondContact N-O 2.81Å; R144-V165 HydrophobicContact CB-CB 4.2Å; R144-V165 HydrophobicContact CB-CG2 3.9Å; R144-V165 WeakPolarHBondContact O-CA 3.4Å; R144-T166 PolarHBondContact O-N 3.2Å
145C98.2Very high97.8Very high5 Ų541.8 Ų41.83%0.03421%0.209CC..SBendtrans-98.4125.8-176.5-59.30000112.3V121 N123 L147 P148 T255V121-C145 PolarHBondContact O-N 3.03Å; V121-C145 PolarHBondContact O-SG 3.28Å; N123-C145 PolarHBondContact ND2-O 2.99Å; N123-C145 PolarHBondContact OD1-O 2.92Å; C145-L147 PolarHBondContact O-N 2.93Å; C145-P148 VanDerWaalsContact O-CD 3.27Å; C145-P148 WeakPolarHBondContact O-CD 3.49Å; C145-T255 HydrophobicContact CB-CG2 4.26Å
146N97.7Very high97.8Very high40 Ų4041.9 Ų41.921%0.21422%0.216CC..SBendtrans62.346.2158.2-63.5-32000114.7T166 I171 T255N146-T166 CarbonylContact C-O 3.17Å; N146-T166 WeakPolarHBondContact CA-O 3.08Å; N146-T166 PolarHBondContact N-O 3.3Å; N146-T166 VanDerWaalsContact N-O 3.08Å; N146-T166 PolarHBondContact N-OG1 2.8Å; N146-T166 PolarHBondContact OD1-OG1 2.91Å; N146-T166 VanDerWaalsContact OD1-OG1 3.07Å; N146-I171 HydrophobicContact CB-CD1 3.85Å; N146-I171 WeakPolarHBondContact O-CD1 3.19Å; N146-T255 PolarHBondContact ND2-OG1 2.85Å; N146-T255 PolarHBondContact OD1-OG1 2.8Å
147L98.2Very high97.8Very high0 Ų042 Ų420%022%0.216CC..SBendtrans4661.4177.3-61.8-178.4000112.6C145 V165 T166 A167 I171 R175 F176 F186 Y189 L190 Y193C145-L147 PolarHBondContact O-N 2.93Å; L147-V165 HydrophobicContact CD2-CG1 3.92Å; L147-V165 HydrophobicContact CD2-CG2 3.89Å; L147-T166 PolarHBondContact N-O 3.49Å; L147-A167 HydrophobicContact CD1-CB 3.56Å; L147-A167 HydrophobicContact CD2-CB 4.14Å; L147-A167 HydrophobicContact CG-CB 3.63Å; L147-I171 HydrophobicContact CB-CD1 4.42Å; L147-I171 HydrophobicContact CD1-CG2 4.2Å; L147-R175 PolarHBondContact O-NH1 3.39Å; L147-F176 HydrophobicContact CD1-CE2 4.42Å; L147-F186 HydrophobicContact CD1-CE2 4.09Å; L147-Y189 HydrophobicContact CB-CE1 4.07Å; L147-Y189 PolarHBondContact O-OH 2.93Å; L147-L190 HydrophobicContact CD1-CD2 4.08Å; L147-L190 HydrophobicContact CD2-CD2 3.55Å; L147-L190 HydrophobicContact CG-CD2 4.48Å; L147-Y193 VanDerWaalsContact CA-OH 3.27Å; L147-Y193 WeakPolarHBondContact CA-OH 3.23Å; L147-Y193 HydrophobicContact CD2-CD2 4.42Å; L147-Y193 HydrophobicContact CD2-CE2 3.79Å
148P97.7Very high97.8Very high1 Ų140.2 Ų40.21%0.00621%0.207CC..  trans-81.5146.9-175.939.2-35.4000110.2N123 R144 C145 L150 Y193 Y291 Y292N123-P148 WeakPolarHBondContact OD1-CB 3.31Å; R144-P148 HydrophobicContact CB-CG 4.25Å; C145-P148 VanDerWaalsContact O-CD 3.27Å; C145-P148 WeakPolarHBondContact O-CD 3.49Å; P148-L150 PolarHBondContact O-N 2.9Å; P148-Y193 PolarHBondContact O-OH 3.48Å; P148-Y291 HydrophobicContact CB-CE1 4.35Å; P148-Y291 WeakPolarHBondContact CB-OH 3.46Å; P148-Y292 HydrophobicContact CB-CE1 3.8Å
149P97.1Very high97.8Very high20 Ų2033.7 Ų33.713%0.1318%0.177CC..  trans-63.1133.9-177.426.9-34.1000111.9T151 Y154 Y291 Y292P149-T151 HydrophobicContact CB-CG2 4.39Å; P149-Y154 HydrophobicContact CB-CD2 4.33Å; P149-Y154 HydrophobicContact CB-CE2 4.29Å; P149-Y154 HydrophobicContact CG-CD2 4.17Å; P149-Y154 HydrophobicContact CG-CE2 3.97Å; P149-Y291 HydrophobicContact CG-CE2 4.48Å; P149-Y291 PolarHBondContact O-OH 3.3Å; P149-Y292 VanDerWaalsContact CD-CD1 3.43Å; P149-Y292 VanDerWaalsContact CG-CB 3.43Å; P149-Y292 HydrophobicContact CG-CD1 3.69Å; P149-Y292 HydrophobicContact CG-CD2 3.93Å; P149-Y292 HydrophobicContact CG-CE1 4.4Å; P149-Y292 HydrophobicContact CG-CG 3.39Å
150L97Very high97.7Very high21 Ų2137.7 Ų37.711%0.1120%0.197CC..  trans-112.947173.5-56.6-177.5000110.6P148 L155 V158 Y193P148-L150 PolarHBondContact O-N 2.9Å; L150-L155 HydrophobicContact CB-CD2 4.29Å; L150-L155 WeakPolarHBondContact O-CD2 3.42Å; L150-V158 HydrophobicContact CD2-CG2 4Å; L150-Y193 HydrophobicContact CD1-CD1 3.71Å; L150-Y193 HydrophobicContact CD1-CE1 3.62Å; L150-Y193 HydrophobicContact CG-CE1 4.05Å
151T95.4Very high97.8Very high70 Ų7037.2 Ų37.243%0.42919%0.191SC..  trans-77.1160.3177.860.70000110.9P149 E153 Y154 L155P149-T151 HydrophobicContact CB-CG2 4.39Å; T151-E153 PolarHBondContact O-N 2.73Å; T151-Y154 PolarHBondContact O-N 3.26Å; T151-Y154 WeakPolarHBondContact OG1-CD2 3.14Å; T151-Y154 WeakPolarHBondContact OG1-CE2 3.38Å; T151-L155 WeakPolarHBondContact O-CG 3.42Å; T151-L155 PolarHBondContact O-N 3.22Å
152K96Very high97.8Very high198 Ų19837.2 Ų37.286%0.86119%0.192SC*.THydrogen-bonded Turntrans-50.4-31.5179.9-68.5-174.8-179.9179.80113.7Y154K152-Y154 VanDerWaalsContact C-N 3.29Å; K152-Y154 PolarHBondContact O-N 3.33Å
153E96.4Very high97.8Very high109 Ų10940 Ų4051%0.50921%0.205SC..THydrogen-bonded Turntrans-61.3-33.5177.7-176.5-176.8170.100113.6R128 T151R128-E153 IonicContact CZ-OE1 3.62Å; R128-E153 PolarHBondContact NH1-O 3.18Å; R128-E153 VanDerWaalsContact NH1-O 3.14Å; R128-E153 VanDerWaalsContact NH2-CG 3.27Å; R128-E153 IonicContact NH2-OE1 3.9Å; R128-E153 PolarHBondContact NH2-OE1 3.4Å; T151-E153 PolarHBondContact O-N 2.73Å
154Y97.7Very high97.7Very high27 Ų2740 Ų4011%0.10621%0.205CC..THydrogen-bonded Turntrans-104.6-16-173.5-52.6-53.3000113.3P149 T151 K152 A156 D157 V158 Y291P149-Y154 HydrophobicContact CB-CD2 4.33Å; P149-Y154 HydrophobicContact CB-CE2 4.29Å; P149-Y154 HydrophobicContact CG-CD2 4.17Å; P149-Y154 HydrophobicContact CG-CE2 3.97Å; T151-Y154 PolarHBondContact O-N 3.26Å; T151-Y154 WeakPolarHBondContact OG1-CD2 3.14Å; T151-Y154 WeakPolarHBondContact OG1-CE2 3.38Å; K152-Y154 VanDerWaalsContact C-N 3.29Å; K152-Y154 PolarHBondContact O-N 3.33Å; Y154-A156 PolarHBondContact O-N 3.5Å; Y154-A156 VanDerWaalsContact O-N 3.13Å; Y154-D157 WeakPolarHBondContact O-CA 3.37Å; Y154-D157 WeakPolarHBondContact O-CB 3.22Å; Y154-D157 PolarHBondContact O-N 3.14Å; Y154-V158 WeakPolarHBondContact O-CG2 3.35Å; Y154-V158 PolarHBondContact O-N 2.86Å; Y154-Y291 AromaticContact CD1-CD2 3.82Å; Y154-Y291 HydrophobicContact CD1-CD2 3.82Å; Y154-Y291 HydrophobicContact CD1-CE2 4.2Å; Y154-Y291 HydrophobicContact CD2-CD2 4.28Å; Y154-Y291 AromaticContact CD2-CE2 3.88Å; Y154-Y291 HydrophobicContact CD2-CE2 3.88Å; Y154-Y291 HydrophobicContact CE1-CD2 4.32Å; Y154-Y291 WeakPolarHBondContact CE1-O 3.32Å; Y154-Y291 AromaticContact CG-CD2 3.82Å; Y154-Y291 HydrophobicContact CG-CD2 3.82Å; Y154-Y291 AromaticContact CG-CE2 3.7Å; Y154-Y291 HydrophobicContact CG-CE2 3.7Å
155L97.6Very high97.7Very high56 Ų5640 Ų4029%0.29321%0.205SC..Hα-helixtrans-55.1-37.7-173.6-66.7-171.7000113.9L150 T151 D157 G159 N160L150-L155 HydrophobicContact CB-CD2 4.29Å; L150-L155 WeakPolarHBondContact O-CD2 3.42Å; T151-L155 WeakPolarHBondContact O-CG 3.42Å; T151-L155 PolarHBondContact O-N 3.22Å; L155-D157 PolarHBondContact O-N 3.15Å; L155-G159 WeakPolarHBondContact O-CA 3.33Å; L155-G159 PolarHBondContact O-N 3.02Å; L155-N160 HydrophobicContact CD2-CB 3.86Å
156A97.8Very high97.8Very high48 Ų4840 Ų4040%0.39721%0.205SC..Hα-helixtrans-61.4-31.3177.700000112.3K131 G133 Y154K131-A156 CarbonylContact C-O 3.58Å; K131-A156 WeakPolarHBondContact CA-O 3.48Å; K131-A156 HydrophobicContact CD-CB 4.07Å; G133-A156 WeakPolarHBondContact CA-O 3.27Å; G133-A156 PolarHBondContact N-O 3.3Å; Y154-A156 PolarHBondContact O-N 3.5Å; Y154-A156 VanDerWaalsContact O-N 3.13Å
157D98.3Very high97.8Very high2 Ų238.1 Ų38.11%0.01119%0.194CC..Hα-helixtrans-94.3-38.4-173.4-64.3-24.7000111.8L127 R128 H129 S130 K131 C132 G133 Y154 L155L127-D157 VanDerWaalsContact O-CB 3.31Å; L127-D157 WeakPolarHBondContact O-CB 3.18Å; R128-D157 IonicContact NH1-OD2 3.83Å; R128-D157 PolarHBondContact NH1-OD2 2.9Å; R128-D157 VanDerWaalsContact NH1-OD2 3.09Å; H129-D157 VanDerWaalsContact CA-OD1 3.28Å; H129-D157 WeakPolarHBondContact CA-OD1 3.49Å; H129-D157 PolarHBondContact N-OD1 2.91Å; H129-D157 PolarHBondContact N-OD2 2.03Å; S130-D157 PolarHBondContact N-OD1 3.33Å; K131-D157 PolarHBondContact N-OD1 2.96Å; K131-D157 VanDerWaalsContact N-OD1 3.1Å; K131-D157 IonicContact NZ-OD1 2.74Å; C132-D157 CarbonylContact C-O 3.54Å; C132-D157 WeakPolarHBondContact CB-O 3.27Å; C132-D157 PolarHBondContact N-O 3.07Å; G133-D157 PolarHBondContact N-O 2.02Å; G133-D157 VanDerWaalsContact N-O 3.1Å; Y154-D157 WeakPolarHBondContact O-CA 3.37Å; Y154-D157 WeakPolarHBondContact O-CB 3.22Å; Y154-D157 PolarHBondContact O-N 3.14Å; L155-D157 PolarHBondContact O-N 3.15Å
158V98.3Very high97.7Very high0 Ų040.8 Ų40.80%021%0.209CC..Hα-helixtrans-118.7-6.8-170.5-50.10000115.1L127 R144 L150 Y154 Y291L127-V158 HydrophobicContact CB-CG1 4.13Å; L127-V158 HydrophobicContact CD1-CG1 3.95Å; R144-V158 VanDerWaalsContact CZ-O 3.29Å; R144-V158 PolarHBondContact NH1-O 2.9Å; R144-V158 PolarHBondContact NH2-O 3.24Å; L150-V158 HydrophobicContact CD2-CG2 4Å; Y154-V158 WeakPolarHBondContact O-CG2 3.35Å; Y154-V158 PolarHBondContact O-N 2.86Å; V158-Y291 HydrophobicContact CG1-CD1 4.11Å; V158-Y291 HydrophobicContact CG1-CD2 4.15Å; V158-Y291 HydrophobicContact CG1-CE1 3.97Å; V158-Y291 HydrophobicContact CG1-CE2 4Å; V158-Y291 HydrophobicContact CG1-CG 4.2Å; V158-Y291 HydrophobicContact CG2-CE2 4.21Å
159G98.3Very high97.6Very high1 Ų141.3 Ų41.31%0.0121%0.212CC..  trans71.2-178.4-178.900000112.9D137 L155D137-G159 WeakPolarHBondContact OD1-CA 3.45Å; D137-G159 VanDerWaalsContact OD2-CA 3.24Å; D137-G159 WeakPolarHBondContact OD2-CA 3.31Å; L155-G159 WeakPolarHBondContact O-CA 3.33Å; L155-G159 PolarHBondContact O-N 3.02Å
160N97.8Very high97.5Very high95 Ų9542.6 Ų42.651%0.50822%0.222SC..SBendtrans-124.3-14.2175.168.52.4000114.2D137 L155 T162D137-N160 PolarHBondContact OD1-N 2.86Å; D137-N160 PolarHBondContact OD2-N 3.01Å; D137-N160 PolarHBondContact OD2-OD1 3.48Å; L155-N160 HydrophobicContact CD2-CB 3.86Å; N160-T162 PolarHBondContact O-N 3.33Å; N160-T162 PolarHBondContact O-OG1 3.29Å
161K98.6Very high97.4Very high73 Ų7342.5 Ų42.532%0.31722%0.221SC..  trans-61.8128.5178.8-176.6-176.9-93.2-175.90108.2D137 A139 V142 R144D137-K161 HydrophobicContact CB-CB 4.09Å; D137-K161 WeakPolarHBondContact O-CD 3.38Å; D137-K161 WeakPolarHBondContact O-CE 3.21Å; D137-K161 PolarHBondContact O-NZ 2.83Å; D137-K161 WeakPolarHBondContact OD1-CB 3.44Å; D137-K161 PolarHBondContact OD1-N 2.92Å; A139-K161 WeakPolarHBondContact O-CD 2.88Å; A139-K161 PolarHBondContact O-NZ 2.53Å; V142-K161 HydrophobicContact CB-CG 4.46Å; V142-K161 WeakPolarHBondContact CB-O 3.33Å; V142-K161 VanDerWaalsContact CG1-O 3.23Å; V142-K161 WeakPolarHBondContact CG1-O 3.48Å; V142-K161 HydrophobicContact CG2-CB 4.11Å; V142-K161 HydrophobicContact CG2-CD 3.72Å; V142-K161 HydrophobicContact CG2-CG 3.78Å; R144-K161 PolarHBondContact NE-O 3.24Å; R144-K161 VanDerWaalsContact NE-O 3.14Å; R144-K161 PolarHBondContact NH2-O 3.42Å
162T98.6Very high97.5Very high16 Ų1639.2 Ų39.210%0.09820%0.201CC..  trans-143.1136178.7-52.40000107.4R144 N160 V165 Y193 S196R144-T162 WeakPolarHBondContact CD-OG1 3.35Å; R144-T162 HydrophobicContact CG-CG2 4.26Å; R144-T162 PolarHBondContact NE-OG1 2.93Å; N160-T162 PolarHBondContact O-N 3.33Å; N160-T162 PolarHBondContact O-OG1 3.29Å; T162-V165 HydrophobicContact CG2-CB 3.97Å; T162-V165 HydrophobicContact CG2-CG1 4.37Å; T162-Y193 HydrophobicContact CG2-CD1 3.89Å; T162-S196 VanDerWaalsContact C-OG 3.24Å; T162-S196 PolarHBondContact O-OG 3.33Å
163H98.6Very high97.5Very high59 Ų5933.4 Ų33.427%0.27318%0.177SC..SBendtrans-121.3-34.4172.6-65.389.7000111D140 F141 V142 F197D140-H163 PolarHBondContact O-CE1 3.47Å; D140-H163 VanDerWaalsContact O-CE1 3.23Å; D140-H163 PolarHBondContact O-NE2 2.8Å; F141-H163 HydrophobicContact CD1-CB 4.03Å; F141-H163 HydrophobicContact CD2-CB 3.62Å; F141-H163 AromaticContact CD2-CG 3.89Å; F141-H163 HydrophobicContact CE1-CB 3.86Å; F141-H163 HydrophobicContact CE2-CB 3.44Å; F141-H163 VanDerWaalsContact CE2-CB 3.44Å; F141-H163 HydrophobicContact CG-CB 3.92Å; F141-H163 HydrophobicContact CZ-CB 3.57Å; V142-H163 PolarHBondContact N-ND1 3.35Å; V142-H163 VanDerWaalsContact N-ND1 3.14Å; V142-H163 PolarHBondContact O-N 2.91Å; H163-F197 WeakPolarHBondContact O-CD2 3.44Å; H163-F197 PolarHBondContact O-N 2.96Å
164L98.7Very high97.3Very high0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-135.5131.3173.1-177.4150.4000108.9F73 F141 V142 M143 R144 T166 F197 L259 L262F73-L164 HydrophobicContact CE2-CD1 4.23Å; F141-L164 HydrophobicContact CE1-CB 3.75Å; F141-L164 HydrophobicContact CZ-CB 3.95Å; V142-L164 PolarHBondContact O-N 3.42Å; V142-L164 VanDerWaalsContact O-N 3.1Å; M143-L164 CarbonylContact C-O 3.5Å; M143-L164 VanDerWaalsContact CA-O 3.29Å; M143-L164 WeakPolarHBondContact CA-O 3.46Å; M143-L164 HydrophobicContact CB-CD2 4.49Å; M143-L164 HydrophobicContact CG-CB 4.43Å; R144-L164 PolarHBondContact N-O 2.81Å; L164-T166 HydrophobicContact CD2-CG2 4.14Å; L164-F197 WeakPolarHBondContact CA-O 3.37Å; L164-F197 HydrophobicContact CB-CB 4.42Å; L164-F197 HydrophobicContact CG-CB 4.38Å; L164-L259 HydrophobicContact CD2-CD1 4.47Å; L164-L259 HydrophobicContact CD2-CD2 3.7Å; L164-L262 HydrophobicContact CD1-CD2 4.38Å
165V98.8Very high97.2Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-131.6132.4170.861.50000109.7R144 L147 T162 Y193 F197 I198 Y199R144-V165 HydrophobicContact CB-CB 4.2Å; R144-V165 HydrophobicContact CB-CG2 3.9Å; R144-V165 WeakPolarHBondContact O-CA 3.4Å; L147-V165 HydrophobicContact CD2-CG1 3.92Å; L147-V165 HydrophobicContact CD2-CG2 3.89Å; T162-V165 HydrophobicContact CG2-CB 3.97Å; T162-V165 HydrophobicContact CG2-CG1 4.37Å; V165-Y193 HydrophobicContact CB-CD1 4.33Å; V165-Y193 HydrophobicContact CB-CE1 4.4Å; V165-Y193 HydrophobicContact CG1-CD1 4.03Å; V165-Y193 HydrophobicContact CG1-CD2 4.13Å; V165-Y193 HydrophobicContact CG1-CE1 4.34Å; V165-Y193 HydrophobicContact CG1-CE2 4.49Å; V165-Y193 HydrophobicContact CG1-CG 3.91Å; V165-Y193 HydrophobicContact CG2-CD1 4.47Å; V165-Y193 HydrophobicContact CG2-CE1 4.04Å; V165-F197 PolarHBondContact N-O 3.04Å; V165-I198 HydrophobicContact CG1-CD1 3.47Å; V165-I198 VanDerWaalsContact CG1-CD1 3.47Å; V165-I198 WeakPolarHBondContact O-CA 3.11Å; V165-Y199 PolarHBondContact O-N 3.13Å
166T98.7Very high97.2Very high4 Ų438.5 Ų38.53%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-82.7151.9178.374.90000111R144 N146 L147 L164 Y199 T255 L259R144-T166 PolarHBondContact O-N 3.2Å; N146-T166 CarbonylContact C-O 3.17Å; N146-T166 WeakPolarHBondContact CA-O 3.08Å; N146-T166 PolarHBondContact N-O 3.3Å; N146-T166 VanDerWaalsContact N-O 3.08Å; N146-T166 PolarHBondContact N-OG1 2.8Å; N146-T166 PolarHBondContact OD1-OG1 2.91Å; N146-T166 VanDerWaalsContact OD1-OG1 3.07Å; L147-T166 PolarHBondContact N-O 3.49Å; L164-T166 HydrophobicContact CD2-CG2 4.14Å; T166-Y199 CarbonylContact C-O 3.35Å; T166-Y199 WeakPolarHBondContact CA-O 3.44Å; T166-Y199 HydrophobicContact CG2-CD1 3.83Å; T166-T255 HydrophobicContact CG2-CG2 3.74Å; T166-T255 WeakPolarHBondContact OG1-CG2 3.26Å; T166-L259 HydrophobicContact CG2-CD1 3.67Å; T166-L259 HydrophobicContact CG2-CD2 3.72Å; T166-L259 HydrophobicContact CG2-CG 3.99Å
167A98Very high97.1Very high0 Ų041.8 Ų41.80%020%0.2CC..  trans-134.1106.517000000109.3L147 I198 Y199 M200L147-A167 HydrophobicContact CD1-CB 3.56Å; L147-A167 HydrophobicContact CD2-CB 4.14Å; L147-A167 HydrophobicContact CG-CB 3.63Å; A167-I198 HydrophobicContact CB-CG2 4.18Å; A167-Y199 PolarHBondContact N-O 2.92Å; A167-M200 HydrophobicContact CB-CE 4.07Å; A167-M200 HydrophobicContact CB-CG 3.92Å; A167-M200 HydrophobicContact CB-SD 4.33Å; A167-M200 VanDerWaalsContact O-CE 3.26Å; A167-M200 WeakPolarHBondContact O-CE 3.37Å; A167-M200 WeakPolarHBondContact O-CG 3.46Å
168N95.8Very high97Very high57 Ų5741.7 Ų41.731%0.30520%0.2SC..  trans-64.9137.3171.9-172.9-58000109.4S170 I171N168-S170 PolarHBondContact O-N 3Å; N168-S170 WeakPolarHBondContact OD1-CB 3.42Å; N168-S170 PolarHBondContact OD1-N 3.41Å; N168-S170 PolarHBondContact OD1-OG 2.87Å; N168-S170 VanDerWaalsContact OD1-OG 3.07Å; N168-I171 HydrophobicContact CB-CD1 4.26Å; N168-I171 HydrophobicContact CB-CG1 4.31Å; N168-I171 VanDerWaalsContact O-CB 3.3Å; N168-I171 WeakPolarHBondContact O-CB 3.29Å; N168-I171 WeakPolarHBondContact O-CG1 3.31Å; N168-I171 PolarHBondContact O-N 3.18Å
169P96.6Very high96.9Very high11 Ų1142.2 Ų42.27%0.07120%0.202CC..Hα-helixtrans-50.1-33176.5-2833.3000114.2I171 I172 E173 G208 P211P169-I171 PolarHBondContact O-N 2.89Å; P169-I172 WeakPolarHBondContact O-CB 3.17Å; P169-I172 PolarHBondContact O-N 3.37Å; P169-E173 PolarHBondContact O-N 3.15Å; P169-G208 VanDerWaalsContact CB-CA 3.5Å; P169-G208 WeakPolarHBondContact CG-O 3.23Å; P169-P211 HydrophobicContact CB-CB 4.24Å; P169-P211 HydrophobicContact CB-CG 4.33Å
170S94.4Very high96.7Very high48 Ų4849.2 Ų49.234%0.33623%0.232SC..Hα-helixtrans-62.7-23.3177.4720000113.7N168 K174N168-S170 PolarHBondContact O-N 3Å; N168-S170 WeakPolarHBondContact OD1-CB 3.42Å; N168-S170 PolarHBondContact OD1-N 3.41Å; N168-S170 PolarHBondContact OD1-OG 2.87Å; N168-S170 VanDerWaalsContact OD1-OG 3.07Å; S170-K174 VanDerWaalsContact O-CB 3.27Å; S170-K174 WeakPolarHBondContact O-CB 3.28Å; S170-K174 VanDerWaalsContact O-CG 3.31Å; S170-K174 WeakPolarHBondContact O-CG 3.45Å; S170-K174 PolarHBondContact O-N 2.71Å
171I95.4Very high96.4Very high19 Ų1955 Ų5510%0.09725%0.248CC..Hα-helixtrans-68.5-41.6174.8-60.1171.1000109.5N146 L147 N168 P169 E173 R175 F176N146-I171 HydrophobicContact CB-CD1 3.85Å; N146-I171 WeakPolarHBondContact O-CD1 3.19Å; L147-I171 HydrophobicContact CB-CD1 4.42Å; L147-I171 HydrophobicContact CD1-CG2 4.2Å; N168-I171 HydrophobicContact CB-CD1 4.26Å; N168-I171 HydrophobicContact CB-CG1 4.31Å; N168-I171 VanDerWaalsContact O-CB 3.3Å; N168-I171 WeakPolarHBondContact O-CB 3.29Å; N168-I171 WeakPolarHBondContact O-CG1 3.31Å; N168-I171 PolarHBondContact O-N 3.18Å; P169-I171 PolarHBondContact O-N 2.89Å; I171-E173 VanDerWaalsContact C-N 3.32Å; I171-E173 PolarHBondContact O-N 3.21Å; I171-R175 HydrophobicContact CG2-CB 4.08Å; I171-R175 WeakPolarHBondContact O-CA 3.35Å; I171-R175 VanDerWaalsContact O-CB 3.26Å; I171-R175 WeakPolarHBondContact O-CB 3.38Å; I171-R175 PolarHBondContact O-N 3.13Å; I171-F176 HydrophobicContact CG2-CD2 4.11Å; I171-F176 HydrophobicContact CG2-CE2 3.82Å; I171-F176 PolarHBondContact O-N 3.18Å
172I97.6Very high96.1Very high0 Ų054 Ų540%025%0.249CC..Hα-helixtrans-60.8-47.1177.3-52.5-53.5000109.5P169 F176 Q177 G178 L179 F186 M200 P211 A215P169-I172 WeakPolarHBondContact O-CB 3.17Å; P169-I172 PolarHBondContact O-N 3.37Å; I172-F176 HydrophobicContact CD1-CD2 4.41Å; I172-F176 CarbonylContact O-C 3.48Å; I172-F176 VanDerWaalsContact O-C 3.27Å; I172-F176 WeakPolarHBondContact O-CA 3.16Å; I172-F176 PolarHBondContact O-N 2.89Å; I172-Q177 PolarHBondContact O-N 3.19Å; I172-G178 WeakPolarHBondContact O-CA 3.22Å; I172-G178 PolarHBondContact O-N 3.15Å; I172-L179 HydrophobicContact CG2-CD1 3.88Å; I172-L179 HydrophobicContact CG2-CD2 4.41Å; I172-L179 HydrophobicContact CG2-CG 3.72Å; I172-F186 HydrophobicContact CD1-CD2 4.15Å; I172-F186 HydrophobicContact CD1-CE2 3.5Å; I172-F186 HydrophobicContact CD1-CZ 3.72Å; I172-M200 HydrophobicContact CD1-CE 4.14Å; I172-M200 HydrophobicContact CG1-CE 3.62Å; I172-P211 HydrophobicContact CB-CB 4.08Å; I172-P211 HydrophobicContact CG2-CB 4.18Å; I172-A215 HydrophobicContact CD1-CB 3.9Å; I172-A215 HydrophobicContact CG1-CB 4.11Å
173E95.1Very high96Very high76 Ų7659.2 Ų59.236%0.35527%0.267SS..Hα-helixtrans-63.5-54.9177.6-70.3-60.6159.700112.8P169 I171 Q177 G178 P211 R214P169-E173 PolarHBondContact O-N 3.15Å; I171-E173 VanDerWaalsContact C-N 3.32Å; I171-E173 PolarHBondContact O-N 3.21Å; E173-Q177 VanDerWaalsContact O-CA 3.22Å; E173-Q177 WeakPolarHBondContact O-CA 3.3Å; E173-Q177 PolarHBondContact O-N 3.4Å; E173-G178 PolarHBondContact O-N 3.44Å; E173-P211 HydrophobicContact CG-CB 4.24Å; E173-P211 HydrophobicContact CG-CG 4.01Å; E173-P211 VanDerWaalsContact OE1-CG 3.26Å; E173-P211 WeakPolarHBondContact OE1-CG 3.33Å; E173-R214 IonicContact OE1-CZ 2.64Å; E173-R214 IonicContact OE1-NH2 3.05Å; E173-R214 PolarHBondContact OE1-NH2 2.96Å; E173-R214 IonicContact OE2-NH2 3.93Å
174K93.5Very high95.8Very high175 Ų17562.6 Ų62.676%0.76128%0.281SS*.Hα-helixtrans-82-45.5-168.5-64.5179.2178.7-177.40113.4S170S170-K174 VanDerWaalsContact O-CB 3.27Å; S170-K174 WeakPolarHBondContact O-CB 3.28Å; S170-K174 VanDerWaalsContact O-CG 3.31Å; S170-K174 WeakPolarHBondContact O-CG 3.45Å; S170-K174 PolarHBondContact O-N 2.71Å
175R95.1Very high95.6Very high102 Ų10265 Ų6539%0.38530%0.301SS..Hα-helixtrans-85.2-37.8-174.6-174.1-178.1-70.6174.2-0.8111.6L147 I171 Y189L147-R175 PolarHBondContact O-NH1 3.39Å; I171-R175 HydrophobicContact CG2-CB 4.08Å; I171-R175 WeakPolarHBondContact O-CA 3.35Å; I171-R175 VanDerWaalsContact O-CB 3.26Å; I171-R175 WeakPolarHBondContact O-CB 3.38Å; I171-R175 PolarHBondContact O-N 3.13Å; R175-Y189 PolarHBondContact NH1-OH 3.38Å
176F97Very high95.5Very high22 Ų2265 Ų6510%0.09630%0.301CS..Hα-helixtrans-11014.2-175.6-56.6-74.5000113.4L147 I171 I172 G178 L179 F186 Y189L147-F176 HydrophobicContact CD1-CE2 4.42Å; I171-F176 HydrophobicContact CG2-CD2 4.11Å; I171-F176 HydrophobicContact CG2-CE2 3.82Å; I171-F176 PolarHBondContact O-N 3.18Å; I172-F176 HydrophobicContact CD1-CD2 4.41Å; I172-F176 CarbonylContact O-C 3.48Å; I172-F176 VanDerWaalsContact O-C 3.27Å; I172-F176 WeakPolarHBondContact O-CA 3.16Å; I172-F176 PolarHBondContact O-N 2.89Å; F176-G178 PolarHBondContact O-N 3.26Å; F176-L179 HydrophobicContact CB-CD2 3.61Å; F176-L179 HydrophobicContact CG-CD2 4.38Å; F176-L179 PolarHBondContact O-N 2.86Å; F176-F186 HydrophobicContact CD1-CB 3.9Å; F176-F186 HydrophobicContact CD1-CD2 4.3Å; F176-F186 AromaticContact CD2-CD2 3.71Å; F176-F186 HydrophobicContact CD2-CD2 3.71Å; F176-F186 HydrophobicContact CD2-CE2 4.36Å; F176-F186 HydrophobicContact CE1-CB 4.24Å; F176-F186 HydrophobicContact CE1-CD2 4.24Å; F176-F186 AromaticContact CE2-CD2 3.64Å; F176-F186 HydrophobicContact CE2-CD2 3.64Å; F176-F186 HydrophobicContact CE2-CE2 4.18Å; F176-F186 HydrophobicContact CG-CB 4.11Å; F176-F186 HydrophobicContact CG-CD2 4.04Å; F176-F186 HydrophobicContact CG-CG 4.49Å; F176-F186 AromaticContact CZ-CD2 3.91Å; F176-F186 HydrophobicContact CZ-CD2 3.91Å; F176-Y189 HydrophobicContact CE1-CG 4.22Å; F176-Y189 AromaticContact CZ-CD1 3.85Å; F176-Y189 HydrophobicContact CZ-CD1 3.85Å; F176-Y189 HydrophobicContact CZ-CD2 4.39Å; F176-Y189 HydrophobicContact CZ-CE1 4.45Å; F176-Y189 AromaticContact CZ-CG 3.82Å; F176-Y189 HydrophobicContact CZ-CG 3.82Å
177Q96.4Very high95.4Very high118 Ų11865.4 Ų65.455%0.55130%0.304SS*.G310 helixtrans53.442.3173.3-58.7167.9-6.600112I172 E173 L179 F180 W181I172-Q177 PolarHBondContact O-N 3.19Å; E173-Q177 VanDerWaalsContact O-CA 3.22Å; E173-Q177 WeakPolarHBondContact O-CA 3.3Å; E173-Q177 PolarHBondContact O-N 3.4Å; Q177-L179 PolarHBondContact O-N 2.91Å; Q177-F180 VanDerWaalsContact O-CD2 3.24Å; Q177-F180 WeakPolarHBondContact O-CD2 3.28Å; Q177-F180 PolarHBondContact O-N 2.94Å; Q177-W181 VanDerWaalsContact OE1-CD1 3.27Å
178G95.8Very high95.3Very high0 Ų068.1 Ų68.10%032%0.318CS..G310 helixtrans65.64.5-177.100000114.7I172 E173 F176 F180 R214I172-G178 WeakPolarHBondContact O-CA 3.22Å; I172-G178 PolarHBondContact O-N 3.15Å; E173-G178 PolarHBondContact O-N 3.44Å; F176-G178 PolarHBondContact O-N 3.26Å; G178-F180 PolarHBondContact O-N 2.81Å; G178-R214 PolarHBondContact O-NE 3.27Å; G178-R214 PolarHBondContact O-NH1 2.82Å
179L96.3Very high95.4Very high10 Ų1068.5 Ų68.55%0.05232%0.316CS..G310 helixtrans63.621.2-168.9-43.6174.2000113.4I172 F176 Q177 R183 F186 R214 A215 A218I172-L179 HydrophobicContact CG2-CD1 3.88Å; I172-L179 HydrophobicContact CG2-CD2 4.41Å; I172-L179 HydrophobicContact CG2-CG 3.72Å; F176-L179 HydrophobicContact CB-CD2 3.61Å; F176-L179 HydrophobicContact CG-CD2 4.38Å; F176-L179 PolarHBondContact O-N 2.86Å; Q177-L179 PolarHBondContact O-N 2.91Å; L179-R183 HydrophobicContact CB-CG 4.27Å; L179-F186 HydrophobicContact CD1-CD1 4Å; L179-F186 HydrophobicContact CD1-CE1 4.36Å; L179-F186 HydrophobicContact CD2-CB 3.37Å; L179-F186 HydrophobicContact CD2-CD1 4Å; L179-F186 HydrophobicContact CD2-CD2 4.49Å; L179-F186 HydrophobicContact CD2-CG 3.72Å; L179-R214 HydrophobicContact CD1-CB 4.24Å; L179-A215 HydrophobicContact CD1-CB 4.33Å; L179-A218 HydrophobicContact CD1-CB 3.96Å
180F93.4Very high95.4Very high148 Ų14868 Ų6865%0.64931%0.312SS*.SBendtrans-69.9-35.3176.9-68.5-64000112.1Q177 G178Q177-F180 VanDerWaalsContact O-CD2 3.24Å; Q177-F180 WeakPolarHBondContact O-CD2 3.28Å; Q177-F180 PolarHBondContact O-N 2.94Å; G178-F180 PolarHBondContact O-N 2.81Å
181W91.7Very high95.4Very high218 Ų21872.3 Ų72.383%0.82633%0.325SS*.SBendtrans-100.4-42-175.4-56.2111.8000113.8Q177Q177-W181 VanDerWaalsContact OE1-CD1 3.27Å
182S93.2Very high95.5Very high51 Ų5174 Ų7436%0.35734%0.341SS..  trans-145.6107.2-177.4-176.70000111.8K184 A185S182-K184 VanDerWaalsContact C-N 3.33Å; S182-A185 PolarHBondContact OG-N 2.68Å; S182-A185 VanDerWaalsContact OG-N 3.15Å
183R95.1Very high95.5Very high126 Ų12674.2 Ų74.248%0.47534%0.343SS..Hα-helixtrans-71-33.5166.1-61.8-177.2-173.9-171.42.8111.2L179 A185 F186 V187 A218 D221L179-R183 HydrophobicContact CB-CG 4.27Å; R183-A185 PolarHBondContact O-N 3Å; R183-F186 WeakPolarHBondContact O-CB 3.45Å; R183-F186 PolarHBondContact O-N 3.47Å; R183-V187 WeakPolarHBondContact O-CG2 3.19Å; R183-V187 PolarHBondContact O-N 3.41Å; R183-V187 VanDerWaalsContact O-N 3.08Å; R183-A218 HydrophobicContact CB-CB 4.1Å; R183-A218 HydrophobicContact CG-CB 4.23Å; R183-D221 IonicContact NH1-OD2 2.71Å; R183-D221 PolarHBondContact NH1-OD2 3.45Å
184K94.6Very high95.5Very high130 Ų13072.6 Ų72.657%0.56535%0.346SS*.Hα-helixtrans-59.5-43-178.1175.9167172.748.80112.5S182 F186 V187 D188S182-K184 VanDerWaalsContact C-N 3.33Å; K184-F186 VanDerWaalsContact C-N 3.27Å; K184-F186 PolarHBondContact O-N 3.26Å; K184-V187 PolarHBondContact O-N 3.29Å; K184-D188 WeakPolarHBondContact CE-OD2 3.35Å; K184-D188 VanDerWaalsContact CG-OD2 3.23Å; K184-D188 WeakPolarHBondContact CG-OD2 3.32Å; K184-D188 VanDerWaalsContact NZ-CG 3.34Å; K184-D188 IonicContact NZ-OD1 3.18Å; K184-D188 PolarHBondContact NZ-OD1 3.19Å; K184-D188 IonicContact NZ-OD2 2.69Å; K184-D188 PolarHBondContact NZ-OD2 3.1Å; K184-D188 VanDerWaalsContact O-CB 3.31Å; K184-D188 WeakPolarHBondContact O-CB 3.26Å; K184-D188 PolarHBondContact O-N 3.4Å
185A95.4Very high95.6Very high50 Ų5068.5 Ų68.541%0.41334%0.34SS..Hα-helixtrans-59.5-39.517900000112.3S182 R183 Y189S182-A185 PolarHBondContact OG-N 2.68Å; S182-A185 VanDerWaalsContact OG-N 3.15Å; R183-A185 PolarHBondContact O-N 3Å; A185-Y189 WeakPolarHBondContact O-CB 3.42Å; A185-Y189 PolarHBondContact O-N 3.48Å; A185-Y189 VanDerWaalsContact O-N 3.08Å
186F96.8Very high95.7Very high0 Ų063.8 Ų63.80%032%0.322CS..Hα-helixtrans-66.5-50.3175171.8-118.6000111.9L147 I172 F176 L179 R183 K184 D188 Y189 L190 A215 A218 I219L147-F186 HydrophobicContact CD1-CE2 4.09Å; I172-F186 HydrophobicContact CD1-CD2 4.15Å; I172-F186 HydrophobicContact CD1-CE2 3.5Å; I172-F186 HydrophobicContact CD1-CZ 3.72Å; F176-F186 HydrophobicContact CD1-CB 3.9Å; F176-F186 HydrophobicContact CD1-CD2 4.3Å; F176-F186 AromaticContact CD2-CD2 3.71Å; F176-F186 HydrophobicContact CD2-CD2 3.71Å; F176-F186 HydrophobicContact CD2-CE2 4.36Å; F176-F186 HydrophobicContact CE1-CB 4.24Å; F176-F186 HydrophobicContact CE1-CD2 4.24Å; F176-F186 AromaticContact CE2-CD2 3.64Å; F176-F186 HydrophobicContact CE2-CD2 3.64Å; F176-F186 HydrophobicContact CE2-CE2 4.18Å; F176-F186 HydrophobicContact CG-CB 4.11Å; F176-F186 HydrophobicContact CG-CD2 4.04Å; F176-F186 HydrophobicContact CG-CG 4.49Å; F176-F186 AromaticContact CZ-CD2 3.91Å; F176-F186 HydrophobicContact CZ-CD2 3.91Å; L179-F186 HydrophobicContact CD1-CD1 4Å; L179-F186 HydrophobicContact CD1-CE1 4.36Å; L179-F186 HydrophobicContact CD2-CB 3.37Å; L179-F186 HydrophobicContact CD2-CD1 4Å; L179-F186 HydrophobicContact CD2-CD2 4.49Å; L179-F186 HydrophobicContact CD2-CG 3.72Å; R183-F186 WeakPolarHBondContact O-CB 3.45Å; R183-F186 PolarHBondContact O-N 3.47Å; K184-F186 VanDerWaalsContact C-N 3.27Å; K184-F186 PolarHBondContact O-N 3.26Å; F186-D188 VanDerWaalsContact C-N 3.35Å; F186-D188 PolarHBondContact O-N 2.87Å; F186-Y189 WeakPolarHBondContact O-CB 3.49Å; F186-Y189 PolarHBondContact O-N 3.02Å; F186-L190 HydrophobicContact CD1-CD1 4.37Å; F186-L190 HydrophobicContact CD2-CD1 4.44Å; F186-L190 HydrophobicContact CD2-CG 4.38Å; F186-L190 HydrophobicContact CE1-CD1 3.81Å; F186-L190 HydrophobicContact CE2-CD1 3.88Å; F186-L190 HydrophobicContact CE2-CD2 4.12Å; F186-L190 HydrophobicContact CE2-CG 4.07Å; F186-L190 HydrophobicContact CZ-CD1 3.56Å; F186-L190 HydrophobicContact CZ-CG 4.26Å; F186-L190 WeakPolarHBondContact O-CG 3.43Å; F186-L190 PolarHBondContact O-N 3.27Å; F186-A215 HydrophobicContact CE1-CB 3.85Å; F186-A215 HydrophobicContact CZ-CB 3.87Å; F186-A218 HydrophobicContact CD1-CB 4.02Å; F186-A218 HydrophobicContact CE1-CB 4.36Å; F186-I219 HydrophobicContact CE1-CD1 4.01Å; F186-I219 HydrophobicContact CE1-CG1 3.99Å; F186-I219 HydrophobicContact CZ-CD1 4.22Å
187V96.3Very high95.8Very high13 Ų1364.8 Ų64.88%0.07933%0.327CS..Hα-helixtrans-63.4-41-179.8176.20000111.7R183 K184 Y189 L190 K191 A218R183-V187 WeakPolarHBondContact O-CG2 3.19Å; R183-V187 PolarHBondContact O-N 3.41Å; R183-V187 VanDerWaalsContact O-N 3.08Å; K184-V187 PolarHBondContact O-N 3.29Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 2.8Å; V187-L190 PolarHBondContact O-N 3.28Å; V187-L190 VanDerWaalsContact O-N 3.16Å; V187-K191 PolarHBondContact O-N 3.36Å; V187-A218 HydrophobicContact CG2-CB 4.4Å; V187-A218 VanDerWaalsContact CG2-O 3.25Å; V187-A218 WeakPolarHBondContact CG2-O 3.5Å
188D96Very high95.9Very high56 Ų5659.2 Ų59.230%0.29930%0.3SS..Hα-helixtrans-62.9-39.1175.7-76.1-27.2000111.5K184 F186 L190 K191K184-D188 WeakPolarHBondContact CE-OD2 3.35Å; K184-D188 VanDerWaalsContact CG-OD2 3.23Å; K184-D188 WeakPolarHBondContact CG-OD2 3.32Å; K184-D188 VanDerWaalsContact NZ-CG 3.34Å; K184-D188 IonicContact NZ-OD1 3.18Å; K184-D188 PolarHBondContact NZ-OD1 3.19Å; K184-D188 IonicContact NZ-OD2 2.69Å; K184-D188 PolarHBondContact NZ-OD2 3.1Å; K184-D188 VanDerWaalsContact O-CB 3.31Å; K184-D188 WeakPolarHBondContact O-CB 3.26Å; K184-D188 PolarHBondContact O-N 3.4Å; F186-D188 VanDerWaalsContact C-N 3.35Å; F186-D188 PolarHBondContact O-N 2.87Å; D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 2.66Å; D188-K191 WeakPolarHBondContact O-CB 3.49Å; D188-K191 PolarHBondContact O-N 3.21Å; D188-K191 WeakPolarHBondContact OD1-CE 3.28Å; D188-K191 IonicContact OD1-NZ 3.91Å; D188-K191 PolarHBondContact OD1-NZ 3.1Å
189Y96.8Very high96Very high66 Ų6659.8 Ų59.826%0.25930%0.303SS..Hα-helixtrans-61.4-38.9174-174.9-89.6000111.8L147 R175 F176 A185 F186 V187 K191 Y193L147-Y189 HydrophobicContact CB-CE1 4.07Å; L147-Y189 PolarHBondContact O-OH 2.93Å; R175-Y189 PolarHBondContact NH1-OH 3.38Å; F176-Y189 HydrophobicContact CE1-CG 4.22Å; F176-Y189 AromaticContact CZ-CD1 3.85Å; F176-Y189 HydrophobicContact CZ-CD1 3.85Å; F176-Y189 HydrophobicContact CZ-CD2 4.39Å; F176-Y189 HydrophobicContact CZ-CE1 4.45Å; F176-Y189 AromaticContact CZ-CG 3.82Å; F176-Y189 HydrophobicContact CZ-CG 3.82Å; A185-Y189 WeakPolarHBondContact O-CB 3.42Å; A185-Y189 PolarHBondContact O-N 3.48Å; A185-Y189 VanDerWaalsContact O-N 3.08Å; F186-Y189 WeakPolarHBondContact O-CB 3.49Å; F186-Y189 PolarHBondContact O-N 3.02Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 2.8Å; Y189-K191 PolarHBondContact O-N 3.41Å; Y189-Y193 HydrophobicContact CD1-CE2 4.3Å; Y189-Y193 HydrophobicContact CE1-CE2 4.08Å
190L97.1Very high96.1Very high0 Ų059.3 Ų59.30%030%0.3CS..Hα-helixtrans-71.3-15.7-179.3-63.7-178.7000114.3L147 F186 V187 D188 A192 Y193 I198 I219 L226L147-L190 HydrophobicContact CD1-CD2 4.08Å; L147-L190 HydrophobicContact CD2-CD2 3.55Å; L147-L190 HydrophobicContact CG-CD2 4.48Å; F186-L190 HydrophobicContact CD1-CD1 4.37Å; F186-L190 HydrophobicContact CD2-CD1 4.44Å; F186-L190 HydrophobicContact CD2-CG 4.38Å; F186-L190 HydrophobicContact CE1-CD1 3.81Å; F186-L190 HydrophobicContact CE2-CD1 3.88Å; F186-L190 HydrophobicContact CE2-CD2 4.12Å; F186-L190 HydrophobicContact CE2-CG 4.07Å; F186-L190 HydrophobicContact CZ-CD1 3.56Å; F186-L190 HydrophobicContact CZ-CG 4.26Å; F186-L190 WeakPolarHBondContact O-CG 3.43Å; F186-L190 PolarHBondContact O-N 3.27Å; V187-L190 PolarHBondContact O-N 3.28Å; V187-L190 VanDerWaalsContact O-N 3.16Å; D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 2.66Å; L190-A192 PolarHBondContact O-N 3.29Å; L190-A192 VanDerWaalsContact O-N 3.11Å; L190-Y193 HydrophobicContact CB-CD2 4.4Å; L190-Y193 HydrophobicContact CD2-CD2 3.92Å; L190-Y193 HydrophobicContact CD2-CE2 3.91Å; L190-Y193 WeakPolarHBondContact O-CD2 3.45Å; L190-Y193 PolarHBondContact O-N 2.87Å; L190-I198 HydrophobicContact CD1-CD1 4.44Å; L190-I198 HydrophobicContact CD1-CG1 4.38Å; L190-I198 HydrophobicContact CD2-CD1 4.04Å; L190-I219 HydrophobicContact CD1-CD1 3.61Å; L190-I219 HydrophobicContact CD1-CG1 3.72Å; L190-L226 HydrophobicContact CB-CD1 3.51Å; L190-L226 HydrophobicContact CD1-CD1 3.86Å; L190-L226 HydrophobicContact CG-CD1 4.33Å
191K95.7Very high96.3Very high138 Ų13853.5 Ų53.560%0.628%0.277SS*.G310 helixtrans-56.5-28.7176.5-70.6175.9173.5166.40112.9V187 D188 Y189 Y193 G194V187-K191 PolarHBondContact O-N 3.36Å; D188-K191 WeakPolarHBondContact O-CB 3.49Å; D188-K191 PolarHBondContact O-N 3.21Å; D188-K191 WeakPolarHBondContact OD1-CE 3.28Å; D188-K191 IonicContact OD1-NZ 3.91Å; D188-K191 PolarHBondContact OD1-NZ 3.1Å; Y189-K191 PolarHBondContact O-N 3.41Å; K191-Y193 PolarHBondContact O-N 2.54Å; K191-Y193 VanDerWaalsContact O-N 3.13Å; K191-G194 PolarHBondContact O-N 3.33Å; K191-G194 VanDerWaalsContact O-N 3.11Å
192A96.4Very high96.6Very high54 Ų5443.1 Ų43.145%0.44624%0.238SC..G310 helixtrans-60.4-19.8176.100000113.5L190L190-A192 PolarHBondContact O-N 3.29Å; L190-A192 VanDerWaalsContact O-N 3.11Å
193Y97.5Very high96.8Very high6 Ų640.8 Ų40.82%0.02422%0.221CC..G310 helixtrans-97.41.1179.5-50.5-69.1000113.6L147 P148 L150 T162 V165 Y189 L190 K191 S195 S196L147-Y193 VanDerWaalsContact CA-OH 3.27Å; L147-Y193 WeakPolarHBondContact CA-OH 3.23Å; L147-Y193 HydrophobicContact CD2-CD2 4.42Å; L147-Y193 HydrophobicContact CD2-CE2 3.79Å; P148-Y193 PolarHBondContact O-OH 3.48Å; L150-Y193 HydrophobicContact CD1-CD1 3.71Å; L150-Y193 HydrophobicContact CD1-CE1 3.62Å; L150-Y193 HydrophobicContact CG-CE1 4.05Å; T162-Y193 HydrophobicContact CG2-CD1 3.89Å; V165-Y193 HydrophobicContact CB-CD1 4.33Å; V165-Y193 HydrophobicContact CB-CE1 4.4Å; V165-Y193 HydrophobicContact CG1-CD1 4.03Å; V165-Y193 HydrophobicContact CG1-CD2 4.13Å; V165-Y193 HydrophobicContact CG1-CE1 4.34Å; V165-Y193 HydrophobicContact CG1-CE2 4.49Å; V165-Y193 HydrophobicContact CG1-CG 3.91Å; V165-Y193 HydrophobicContact CG2-CD1 4.47Å; V165-Y193 HydrophobicContact CG2-CE1 4.04Å; Y189-Y193 HydrophobicContact CD1-CE2 4.3Å; Y189-Y193 HydrophobicContact CE1-CE2 4.08Å; L190-Y193 HydrophobicContact CB-CD2 4.4Å; L190-Y193 HydrophobicContact CD2-CD2 3.92Å; L190-Y193 HydrophobicContact CD2-CE2 3.91Å; L190-Y193 WeakPolarHBondContact O-CD2 3.45Å; L190-Y193 PolarHBondContact O-N 2.87Å; K191-Y193 PolarHBondContact O-N 2.54Å; K191-Y193 VanDerWaalsContact O-N 3.13Å; Y193-S195 PolarHBondContact O-N 2.72Å; Y193-S196 VanDerWaalsContact O-CB 3.28Å; Y193-S196 WeakPolarHBondContact O-CB 3.42Å; Y193-S196 PolarHBondContact O-N 2.68Å; Y193-S196 PolarHBondContact O-OG 3.35Å
194G95.2Very high96.8Very high42 Ų4235.1 Ų35.143%0.43320%0.201SC..  trans56.2-130.3176.500000113.3K191 S196 L226K191-G194 PolarHBondContact O-N 3.33Å; K191-G194 VanDerWaalsContact O-N 3.11Å; G194-S196 PolarHBondContact O-N 3.22Å; G194-L226 WeakPolarHBondContact O-CD2 3.43Å
195S95.9Very high96.9Very high89 Ų8931.7 Ų31.762%0.62219%0.188SC*.SBendtrans-93.362.5177.9-53.30000111.3Y193 N225Y193-S195 PolarHBondContact O-N 2.72Å; S195-N225 VanDerWaalsContact OG-CB 3.3Å; S195-N225 WeakPolarHBondContact OG-CB 3.12Å
196S97.5Very high96.8Very high2 Ų236.7 Ų36.71%0.01420%0.196CC..PPolyproline II helixtrans-101.9162.6-178.8-71.80000113.5T162 Y193 G194 L226 T227T162-S196 VanDerWaalsContact C-OG 3.24Å; T162-S196 PolarHBondContact O-OG 3.33Å; Y193-S196 VanDerWaalsContact O-CB 3.28Å; Y193-S196 WeakPolarHBondContact O-CB 3.42Å; Y193-S196 PolarHBondContact O-N 2.68Å; Y193-S196 PolarHBondContact O-OG 3.35Å; G194-S196 PolarHBondContact O-N 3.22Å; S196-L226 WeakPolarHBondContact O-CA 3.36Å; S196-T227 PolarHBondContact O-N 2.81Å; S196-T227 VanDerWaalsContact O-N 3.17Å
197F98.3Very high96.8Very high44 Ų4441.1 Ų41.119%0.19323%0.225CC..EExtended strand (participates in β ladder)trans-77.9128.8162.1-60.9-70.2000110.9P111 L112 H163 L164 V165 T227 L229P111-F197 HydrophobicContact CB-CE1 3.92Å; P111-F197 HydrophobicContact CB-CZ 3.78Å; P111-F197 HydrophobicContact CG-CD1 4.31Å; P111-F197 HydrophobicContact CG-CE1 3.67Å; P111-F197 HydrophobicContact CG-CZ 3.81Å; L112-F197 HydrophobicContact CD2-CD2 4.27Å; L112-F197 HydrophobicContact CD2-CE2 3.97Å; H163-F197 WeakPolarHBondContact O-CD2 3.44Å; H163-F197 PolarHBondContact O-N 2.96Å; L164-F197 WeakPolarHBondContact CA-O 3.37Å; L164-F197 HydrophobicContact CB-CB 4.42Å; L164-F197 HydrophobicContact CG-CB 4.38Å; V165-F197 PolarHBondContact N-O 3.04Å; F197-T227 CarbonylContact C-O 3.58Å; F197-T227 VanDerWaalsContact CA-O 3.29Å; F197-T227 WeakPolarHBondContact CA-O 3.11Å; F197-T227 HydrophobicContact CD1-CG2 3.89Å; F197-T227 HydrophobicContact CE1-CG2 3.94Å; F197-L229 HydrophobicContact CB-CD1 3.86Å; F197-L229 HydrophobicContact CB-CG 4.39Å; F197-L229 HydrophobicContact CD1-CD1 3.64Å; F197-L229 HydrophobicContact CD1-CD2 4.4Å; F197-L229 HydrophobicContact CD1-CG 3.95Å; F197-L229 HydrophobicContact CE1-CD1 4.41Å; F197-L229 HydrophobicContact CG-CD1 3.81Å; F197-L229 HydrophobicContact CG-CG 4.47Å
198I98.4Very high96.8Very high0 Ų040.9 Ų40.90%023%0.225CC..EExtended strand (participates in β ladder)trans-95118.2166.5-53.6-55.8000107.6V165 A167 L190 M200 I219 L226 T227 M228 L229V165-I198 HydrophobicContact CG1-CD1 3.47Å; V165-I198 VanDerWaalsContact CG1-CD1 3.47Å; V165-I198 WeakPolarHBondContact O-CA 3.11Å; A167-I198 HydrophobicContact CB-CG2 4.18Å; L190-I198 HydrophobicContact CD1-CD1 4.44Å; L190-I198 HydrophobicContact CD1-CG1 4.38Å; L190-I198 HydrophobicContact CD2-CD1 4.04Å; I198-M200 HydrophobicContact CG2-CG 4.22Å; I198-I219 HydrophobicContact CG1-CD1 4.19Å; I198-L226 HydrophobicContact CD1-CD2 4.01Å; I198-L226 HydrophobicContact CG1-CB 4.34Å; I198-L226 HydrophobicContact CG1-CD2 4.21Å; I198-T227 PolarHBondContact N-O 2.83Å; I198-M228 HydrophobicContact CB-CE 4.03Å; I198-M228 HydrophobicContact CB-SD 4.05Å; I198-M228 HydrophobicContact CG2-CE 3.67Å; I198-M228 HydrophobicContact CG2-SD 3.87Å; I198-M228 CarbonylContact O-C 3.51Å; I198-M228 WeakPolarHBondContact O-CA 3.35Å; I198-L229 PolarHBondContact O-N 2.87Å
199Y98.4Very high96.8Very high13 Ų1338.5 Ų38.55%0.05121%0.212CC..EExtended strand (participates in β ladder)trans-108.9113.1-174.9-177.9-102000111.5F73 V165 T166 A167 L229 A231F73-Y199 HydrophobicContact CD2-CD2 4.18Å; F73-Y199 AromaticContact CD2-CE2 3.59Å; F73-Y199 HydrophobicContact CD2-CE2 3.59Å; F73-Y199 AromaticContact CE2-CD2 3.94Å; F73-Y199 HydrophobicContact CE2-CD2 3.94Å; F73-Y199 AromaticContact CE2-CE2 3.79Å; F73-Y199 HydrophobicContact CE2-CE2 3.79Å; F73-Y199 WeakPolarHBondContact O-CE2 3.4Å; F73-Y199 PolarHBondContact O-OH 3.22Å; V165-Y199 PolarHBondContact O-N 3.13Å; T166-Y199 CarbonylContact C-O 3.35Å; T166-Y199 WeakPolarHBondContact CA-O 3.44Å; T166-Y199 HydrophobicContact CG2-CD1 3.83Å; A167-Y199 PolarHBondContact N-O 2.92Å; Y199-L229 CarbonylContact C-O 3.57Å; Y199-L229 WeakPolarHBondContact CA-O 3.14Å; Y199-L229 HydrophobicContact CD2-CB 3.98Å; Y199-A231 HydrophobicContact CE1-CB 3.75Å; Y199-A231 HydrophobicContact CE2-CB 3.95Å; Y199-A231 WeakPolarHBondContact OH-CA 3.31Å; Y199-A231 WeakPolarHBondContact OH-CB 3.48Å
200M98.2Very high96.8Very high0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-119.5129-174-68.6-160.883.600113A167 I172 I198 A202 S212 A215 M228 L229 F230 A231A167-M200 HydrophobicContact CB-CE 4.07Å; A167-M200 HydrophobicContact CB-CG 3.92Å; A167-M200 HydrophobicContact CB-SD 4.33Å; A167-M200 VanDerWaalsContact O-CE 3.26Å; A167-M200 WeakPolarHBondContact O-CE 3.37Å; A167-M200 WeakPolarHBondContact O-CG 3.46Å; I172-M200 HydrophobicContact CD1-CE 4.14Å; I172-M200 HydrophobicContact CG1-CE 3.62Å; I198-M200 HydrophobicContact CG2-CG 4.22Å; M200-A202 PolarHBondContact O-N 3.26Å; M200-S212 VanDerWaalsContact CE-OG 3.26Å; M200-S212 WeakPolarHBondContact CE-OG 3.06Å; M200-A215 HydrophobicContact CE-CB 4.27Å; M200-A215 HydrophobicContact SD-CB 3.71Å; M200-M228 HydrophobicContact CB-SD 3.99Å; M200-M228 HydrophobicContact CG-CE 4.03Å; M200-M228 HydrophobicContact CG-SD 3.52Å; M200-M228 VanDerWaalsContact CG-SD 3.52Å; M200-M228 HydrophobicContact SD-CE 3.62Å; M200-M228 HydrophobicContact SD-SD 3.86Å; M200-L229 PolarHBondContact N-O 3.14Å; M200-F230 HydrophobicContact CB-CD1 4.17Å; M200-F230 HydrophobicContact CB-CE1 4.46Å; M200-F230 CarbonylContact O-C 3.5Å; M200-F230 VanDerWaalsContact O-CA 3.25Å; M200-F230 WeakPolarHBondContact O-CA 3.48Å; M200-A231 PolarHBondContact O-N 2.99Å
201P97.7Very high96.8Very high26 Ų2640.9 Ų40.917%0.16923%0.23CC..  trans-79.961.5173.134.2-36.2000112.5F203 S204 A231 L236P201-F203 VanDerWaalsContact C-N 3.31Å; P201-F203 PolarHBondContact O-N 3.03Å; P201-S204 WeakPolarHBondContact O-CB 3.43Å; P201-S204 PolarHBondContact O-N 3.02Å; P201-A231 HydrophobicContact CB-CB 4.01Å; P201-L236 HydrophobicContact CB-CD1 4.18Å
202A97.8Very high96.9Very high0 Ų034.3 Ų34.30%020%0.201CC..THydrogen-bonded Turntrans-60.4-37.1-176.600000113.7M200 G208 T209 F230M200-A202 PolarHBondContact O-N 3.26Å; A202-G208 CarbonylContact O-C 3.27Å; A202-T209 VanDerWaalsContact O-CA 3.23Å; A202-T209 WeakPolarHBondContact O-CA 3.24Å; A202-T209 PolarHBondContact O-N 3.08Å; A202-T209 PolarHBondContact O-OG1 3.12Å; A202-F230 HydrophobicContact CB-CB 4.48Å; A202-F230 HydrophobicContact CB-CD1 3.45Å; A202-F230 VanDerWaalsContact CB-CD1 3.45Å; A202-F230 HydrophobicContact CB-CE1 3.94Å; A202-F230 HydrophobicContact CB-CG 4.16Å
203F97.5Very high97Very high1 Ų133.4 Ų33.40%0.00419%0.188CC..THydrogen-bonded Turntrans-102.929-178.1-50.6-68.7000111.9V75 L86 Y88 H96 T102 F106 P201 T209 F230 P233V75-F203 HydrophobicContact CG2-CD2 4.08Å; V75-F203 HydrophobicContact CG2-CE2 4.45Å; L86-F203 HydrophobicContact CD1-CB 4.36Å; L86-F203 HydrophobicContact CD1-CD1 4.24Å; L86-F203 HydrophobicContact CD1-CD2 3.85Å; L86-F203 HydrophobicContact CD1-CE2 4.18Å; L86-F203 HydrophobicContact CD1-CG 3.88Å; Y88-F203 VanDerWaalsContact CD1-C 3.48Å; Y88-F203 HydrophobicContact CD1-CB 4.21Å; Y88-F203 WeakPolarHBondContact CD1-O 3.12Å; Y88-F203 HydrophobicContact CE1-CB 3.99Å; Y88-F203 HydrophobicContact CE1-CD1 4.31Å; H96-F203 HydrophobicContact CB-CD1 3.9Å; H96-F203 HydrophobicContact CB-CE1 4.32Å; H96-F203 AromaticContact CD2-CD1 3.99Å; H96-F203 AromaticContact CD2-CE1 3.55Å; H96-F203 AromaticContact CG-CD1 3.9Å; H96-F203 AromaticContact CG-CE1 3.8Å; H96-F203 AromaticContact NE2-CE1 3.94Å; T102-F203 HydrophobicContact CG2-CE1 4.5Å; T102-F203 HydrophobicContact CG2-CZ 4.37Å; F106-F203 AromaticContact CE1-CE2 3.59Å; F106-F203 HydrophobicContact CE1-CE2 3.59Å; F106-F203 AromaticContact CE1-CZ 3.76Å; F106-F203 HydrophobicContact CE1-CZ 3.76Å; F106-F203 AromaticContact CZ-CE2 3.71Å; F106-F203 HydrophobicContact CZ-CE2 3.71Å; F106-F203 AromaticContact CZ-CZ 3.73Å; F106-F203 HydrophobicContact CZ-CZ 3.73Å; P201-F203 VanDerWaalsContact C-N 3.31Å; P201-F203 PolarHBondContact O-N 3.03Å; F203-T209 HydrophobicContact CD1-CG2 4.34Å; F203-T209 HydrophobicContact CE1-CG2 4.07Å; F203-F230 HydrophobicContact CD2-CB 4.26Å; F203-F230 HydrophobicContact CE2-CB 3.98Å; F203-F230 HydrophobicContact CE2-CD2 4.45Å; F203-F230 HydrophobicContact CE2-CG 4.2Å; F203-P233 HydrophobicContact CB-CG 4.21Å; F203-P233 VanDerWaalsContact O-CB 3.31Å; F203-P233 WeakPolarHBondContact O-CB 3.41Å
204S96.3Very high97Very high7 Ų735.8 Ų35.85%0.04920%0.198CC..SBendtrans-92.7-35.1-179-176.40000112.7Y88 D89 G90 P201 R252Y88-S204 WeakPolarHBondContact CB-O 3.33Å; D89-S204 PolarHBondContact N-O 3.06Å; D89-S204 WeakPolarHBondContact OD1-CA 3.45Å; D89-S204 WeakPolarHBondContact OD1-CB 3.46Å; D89-S204 PolarHBondContact OD1-OG 3.4Å; G90-S204 WeakPolarHBondContact CA-O 3.29Å; G90-S204 PolarHBondContact N-O 3.1Å; P201-S204 WeakPolarHBondContact O-CB 3.43Å; P201-S204 PolarHBondContact O-N 3.02Å; S204-R252 PolarHBondContact OG-NH2 2.62Å
205M94.8Very high97.1Very high58 Ų5833.8 Ų33.829%0.28618%0.177SC..SBendtrans-147.8151.2170.6-59.1-178.675.900108.1E91 G208 R252E91-M205 HydrophobicContact CG-CB 4.19Å; E91-M205 HydrophobicContact CG-CE 3.74Å; E91-M205 HydrophobicContact CG-CG 4.21Å; M205-G208 WeakPolarHBondContact O-CA 3.33Å; M205-G208 PolarHBondContact O-N 3.15Å; M205-R252 VanDerWaalsContact CG-NH1 3.25Å; M205-R252 PolarHBondContact SD-NH1 2.85Å
206R95.1Very high97.2Very high156 Ų15631.6 Ų31.659%0.58916%0.155SC*.G310 helixtrans-53.7-45.4-179.3-172.5-178168.2-169.9-3113.6Y88 E91 G208 T209Y88-R206 HydrophobicContact CD2-CB 4.05Å; Y88-R206 HydrophobicContact CE2-CB 3.53Å; Y88-R206 HydrophobicContact CE2-CG 4.16Å; E91-R206 WeakPolarHBondContact OE2-CB 3.13Å; E91-R206 PolarHBondContact OE2-N 2.78Å; R206-G208 PolarHBondContact O-N 3.4Å; R206-G208 VanDerWaalsContact O-N 3.08Å; R206-T209 PolarHBondContact O-N 3.07Å
207P95Very high97.2Very high93 Ų9335.9 Ų35.960%0.60417%0.172SC*.G310 helixtrans-66.6-12.8-180-20.234.8000113.4P211P207-P211 VanDerWaalsContact O-CD 3.26Å; P207-P211 WeakPolarHBondContact O-CD 3.43Å; P207-P211 VanDerWaalsContact O-CG 3.25Å; P207-P211 WeakPolarHBondContact O-CG 3.49Å
208G96.1Very high97.1Very high8 Ų833.8 Ų33.88%0.08216%0.163CC..G310 helixtrans-86.7-15.7-179.200000114.8P169 A202 M205 R206 P211 S212P169-G208 VanDerWaalsContact CB-CA 3.5Å; P169-G208 WeakPolarHBondContact CG-O 3.23Å; A202-G208 CarbonylContact O-C 3.27Å; M205-G208 WeakPolarHBondContact O-CA 3.33Å; M205-G208 PolarHBondContact O-N 3.15Å; R206-G208 PolarHBondContact O-N 3.4Å; R206-G208 VanDerWaalsContact O-N 3.08Å; G208-P211 WeakPolarHBondContact O-CD 3.42Å; G208-S212 WeakPolarHBondContact O-CB 3.23Å; G208-S212 PolarHBondContact O-N 3Å; G208-S212 PolarHBondContact O-OG 2.84Å
209T96.9Very high97Very high6 Ų634 Ų344%0.03716%0.163CC..Hα-helixtrans-69.9-59.9-173.5-52.90000112.1Y88 A202 F203 R206 P211 S212 L213Y88-T209 PolarHBondContact OH-OG1 3.2Å; A202-T209 VanDerWaalsContact O-CA 3.23Å; A202-T209 WeakPolarHBondContact O-CA 3.24Å; A202-T209 PolarHBondContact O-N 3.08Å; A202-T209 PolarHBondContact O-OG1 3.12Å; F203-T209 HydrophobicContact CD1-CG2 4.34Å; F203-T209 HydrophobicContact CE1-CG2 4.07Å; R206-T209 PolarHBondContact O-N 3.07Å; T209-P211 VanDerWaalsContact C-CD 3.49Å; T209-S212 WeakPolarHBondContact O-CB 3.37Å; T209-S212 PolarHBondContact O-N 3.22Å; T209-S212 VanDerWaalsContact O-N 3.08Å; T209-L213 HydrophobicContact CG2-CD1 4.12Å; T209-L213 HydrophobicContact CG2-CG 4.38Å; T209-L213 WeakPolarHBondContact O-CG 3.14Å; T209-L213 PolarHBondContact O-N 2.69Å
210D96.6Very high96.9Very high113 Ų11336.7 Ų36.760%0.60418%0.181SC*.Hα-helixtrans-58.6-42.6-177.7-62.5-3.5000114.2S212 L213 R214D210-S212 VanDerWaalsContact C-N 3.3Å; D210-S212 PolarHBondContact O-N 3.44Å; D210-L213 PolarHBondContact O-N 3.33Å; D210-R214 WeakPolarHBondContact O-CG 3.47Å; D210-R214 PolarHBondContact O-N 3.47Å
211P97.8Very high96.7Very high3 Ų341.8 Ų41.82%0.01921%0.209CC..Hα-helixtrans-62-37.8175.1-12.622.5000112.3P169 I172 E173 P207 G208 T209 A215P169-P211 HydrophobicContact CB-CB 4.24Å; P169-P211 HydrophobicContact CB-CG 4.33Å; I172-P211 HydrophobicContact CB-CB 4.08Å; I172-P211 HydrophobicContact CG2-CB 4.18Å; E173-P211 HydrophobicContact CG-CB 4.24Å; E173-P211 HydrophobicContact CG-CG 4.01Å; E173-P211 VanDerWaalsContact OE1-CG 3.26Å; E173-P211 WeakPolarHBondContact OE1-CG 3.33Å; P207-P211 VanDerWaalsContact O-CD 3.26Å; P207-P211 WeakPolarHBondContact O-CD 3.43Å; P207-P211 VanDerWaalsContact O-CG 3.25Å; P207-P211 WeakPolarHBondContact O-CG 3.49Å; G208-P211 WeakPolarHBondContact O-CD 3.42Å; T209-P211 VanDerWaalsContact C-CD 3.49Å; P211-A215 WeakPolarHBondContact O-CB 3.49Å; P211-A215 PolarHBondContact O-N 3.5Å
212S98.2Very high96.5Very high0 Ų042.2 Ų42.20%021%0.213CC..Hα-helixtrans-68-40.1176.1-79.60000113M200 G208 T209 D210 A215 Y216M200-S212 VanDerWaalsContact CE-OG 3.26Å; M200-S212 WeakPolarHBondContact CE-OG 3.06Å; G208-S212 WeakPolarHBondContact O-CB 3.23Å; G208-S212 PolarHBondContact O-N 3Å; G208-S212 PolarHBondContact O-OG 2.84Å; T209-S212 WeakPolarHBondContact O-CB 3.37Å; T209-S212 PolarHBondContact O-N 3.22Å; T209-S212 VanDerWaalsContact O-N 3.08Å; D210-S212 VanDerWaalsContact C-N 3.3Å; D210-S212 PolarHBondContact O-N 3.44Å; S212-A215 PolarHBondContact O-N 3.34Å; S212-Y216 PolarHBondContact O-N 2.88Å
213L97.4Very high96.2Very high34 Ų3448.9 Ų48.918%0.17826%0.256CS..Hα-helixtrans-64.8-41.9175.3-63.6-178.7000111.2I105 T209 D210 A215 Y216 Y217 F230I105-L213 HydrophobicContact CD1-CD2 3.35Å; T209-L213 HydrophobicContact CG2-CD1 4.12Å; T209-L213 HydrophobicContact CG2-CG 4.38Å; T209-L213 WeakPolarHBondContact O-CG 3.14Å; T209-L213 PolarHBondContact O-N 2.69Å; D210-L213 PolarHBondContact O-N 3.33Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 3.23Å; L213-Y216 WeakPolarHBondContact O-CB 3.47Å; L213-Y216 PolarHBondContact O-N 2.67Å; L213-Y217 WeakPolarHBondContact O-CD2 3.47Å; L213-Y217 PolarHBondContact O-N 3.47Å; L213-F230 HydrophobicContact CD2-CZ 4.49Å
214R97.4Very high95.8Very high57 Ų5750.6 Ų50.622%0.21527%0.268CS..Hα-helixtrans-60.9-40.4173.4-72.8-174.4-66.9174.6-1.4112.6E173 G178 L179 D210 Y217 A218E173-R214 IonicContact OE1-CZ 2.64Å; E173-R214 IonicContact OE1-NH2 3.05Å; E173-R214 PolarHBondContact OE1-NH2 2.96Å; E173-R214 IonicContact OE2-NH2 3.93Å; G178-R214 PolarHBondContact O-NE 3.27Å; G178-R214 PolarHBondContact O-NH1 2.82Å; L179-R214 HydrophobicContact CD1-CB 4.24Å; D210-R214 WeakPolarHBondContact O-CG 3.47Å; D210-R214 PolarHBondContact O-N 3.47Å; R214-Y217 PolarHBondContact O-N 3.24Å; R214-A218 WeakPolarHBondContact O-CB 3.17Å; R214-A218 PolarHBondContact O-N 3.36Å
215A97.9Very high95.6Very high0 Ų056.4 Ų56.40%030%0.298CS..Hα-helixtrans-64.5-40.2175.800000112.1I172 L179 F186 M200 P211 S212 L213 A218 I219 M228I172-A215 HydrophobicContact CD1-CB 3.9Å; I172-A215 HydrophobicContact CG1-CB 4.11Å; L179-A215 HydrophobicContact CD1-CB 4.33Å; F186-A215 HydrophobicContact CE1-CB 3.85Å; F186-A215 HydrophobicContact CZ-CB 3.87Å; M200-A215 HydrophobicContact CE-CB 4.27Å; M200-A215 HydrophobicContact SD-CB 3.71Å; P211-A215 WeakPolarHBondContact O-CB 3.49Å; P211-A215 PolarHBondContact O-N 3.5Å; S212-A215 PolarHBondContact O-N 3.34Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 3.23Å; A215-A218 PolarHBondContact O-N 3.43Å; A215-I219 WeakPolarHBondContact O-CD1 3.44Å; A215-I219 WeakPolarHBondContact O-CG1 3.2Å; A215-I219 PolarHBondContact O-N 2.82Å; A215-M228 HydrophobicContact CB-CE 4.36Å
216Y97.9Very high95.7Very high43 Ų4354.5 Ų54.517%0.16929%0.289CS..Hα-helixtrans-56.4-55.7172.7172.2-87.3000111.1I105 S212 L213 A218 I219 T220 M228 F230I105-Y216 HydrophobicContact CB-CD1 4.28Å; I105-Y216 HydrophobicContact CB-CD2 4.25Å; I105-Y216 HydrophobicContact CB-CE1 3.77Å; I105-Y216 HydrophobicContact CB-CE2 3.73Å; I105-Y216 VanDerWaalsContact CB-CZ 3.47Å; I105-Y216 HydrophobicContact CG2-CD1 3.91Å; I105-Y216 HydrophobicContact CG2-CE1 3.28Å; I105-Y216 HydrophobicContact CG2-CE2 4.22Å; I105-Y216 VanDerWaalsContact CG2-CZ 3.47Å; S212-Y216 PolarHBondContact O-N 2.88Å; L213-Y216 WeakPolarHBondContact O-CB 3.47Å; L213-Y216 PolarHBondContact O-N 2.67Å; Y216-A218 VanDerWaalsContact C-N 3.32Å; Y216-A218 PolarHBondContact O-N 2.87Å; Y216-I219 PolarHBondContact O-N 3.08Å; Y216-I219 VanDerWaalsContact O-N 3.08Å; Y216-T220 HydrophobicContact CD1-CG2 4.28Å; Y216-T220 HydrophobicContact CD2-CG2 4.36Å; Y216-T220 HydrophobicContact CE1-CG2 3.79Å; Y216-T220 HydrophobicContact CE2-CG2 3.91Å; Y216-T220 PolarHBondContact O-N 3.33Å; Y216-T220 PolarHBondContact O-OG1 3.14Å; Y216-M228 HydrophobicContact CD2-CB 3.73Å; Y216-M228 HydrophobicContact CD2-CG 3.89Å; Y216-M228 HydrophobicContact CE2-CB 4.38Å; Y216-F230 HydrophobicContact CD2-CE2 4.28Å; Y216-F230 HydrophobicContact CD2-CZ 4.06Å; Y216-F230 HydrophobicContact CG-CZ 4.26Å
217Y97.1Very high95.8Very high92 Ų9249.9 Ų49.936%0.36128%0.279SS..Hα-helixtrans-62.9-38.1-178.5-69.8-63.1000112.3L213 R214 I219 T220 D221L213-Y217 WeakPolarHBondContact O-CD2 3.47Å; L213-Y217 PolarHBondContact O-N 3.47Å; R214-Y217 PolarHBondContact O-N 3.24Å; Y217-I219 VanDerWaalsContact C-N 3.25Å; Y217-I219 PolarHBondContact O-N 3.47Å; Y217-T220 WeakPolarHBondContact CA-OG1 3.46Å; Y217-T220 PolarHBondContact O-N 3.15Å; Y217-T220 PolarHBondContact O-OG1 2.98Å; Y217-D221 WeakPolarHBondContact O-CB 3.31Å; Y217-D221 PolarHBondContact O-N 2.87Å
218A97.1Very high95.9Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-58.8-37.3175.100000113L179 R183 F186 V187 R214 A215 Y216 S222L179-A218 HydrophobicContact CD1-CB 3.96Å; R183-A218 HydrophobicContact CB-CB 4.1Å; R183-A218 HydrophobicContact CG-CB 4.23Å; F186-A218 HydrophobicContact CD1-CB 4.02Å; F186-A218 HydrophobicContact CE1-CB 4.36Å; V187-A218 HydrophobicContact CG2-CB 4.4Å; V187-A218 VanDerWaalsContact CG2-O 3.25Å; V187-A218 WeakPolarHBondContact CG2-O 3.5Å; R214-A218 WeakPolarHBondContact O-CB 3.17Å; R214-A218 PolarHBondContact O-N 3.36Å; A215-A218 PolarHBondContact O-N 3.43Å; Y216-A218 VanDerWaalsContact C-N 3.32Å; Y216-A218 PolarHBondContact O-N 2.87Å; A218-S222 WeakPolarHBondContact O-CB 3.49Å; A218-S222 PolarHBondContact O-OG 3.48Å
219I96.7Very high96Very high3 Ų345.8 Ų45.82%0.01525%0.25CC..Hα-helixtrans-74.1-45.6177.7-71.3161.4000111.1F186 L190 I198 A215 Y216 Y217 S222 S224 L226 M228F186-I219 HydrophobicContact CE1-CD1 4.01Å; F186-I219 HydrophobicContact CE1-CG1 3.99Å; F186-I219 HydrophobicContact CZ-CD1 4.22Å; L190-I219 HydrophobicContact CD1-CD1 3.61Å; L190-I219 HydrophobicContact CD1-CG1 3.72Å; I198-I219 HydrophobicContact CG1-CD1 4.19Å; A215-I219 WeakPolarHBondContact O-CD1 3.44Å; A215-I219 WeakPolarHBondContact O-CG1 3.2Å; A215-I219 PolarHBondContact O-N 2.82Å; Y216-I219 PolarHBondContact O-N 3.08Å; Y216-I219 VanDerWaalsContact O-N 3.08Å; Y217-I219 VanDerWaalsContact C-N 3.25Å; Y217-I219 PolarHBondContact O-N 3.47Å; I219-S222 PolarHBondContact O-N 3.38Å; I219-S222 VanDerWaalsContact O-O 3.07Å; I219-S224 WeakPolarHBondContact CG2-OG 3.35Å; I219-S224 PolarHBondContact O-OG 2.87Å; I219-L226 HydrophobicContact CG2-CB 3.89Å; I219-M228 HydrophobicContact CD1-CE 3.46Å; I219-M228 VanDerWaalsContact CD1-CE 3.46Å
220T95Very high96Very high70 Ų7045.6 Ų45.643%0.42925%0.248SC..Hα-helixtrans-74-29-176.7570000113.6Y216 Y217 S222Y216-T220 HydrophobicContact CD1-CG2 4.28Å; Y216-T220 HydrophobicContact CD2-CG2 4.36Å; Y216-T220 HydrophobicContact CE1-CG2 3.79Å; Y216-T220 HydrophobicContact CE2-CG2 3.91Å; Y216-T220 PolarHBondContact O-N 3.33Å; Y216-T220 PolarHBondContact O-OG1 3.14Å; Y217-T220 WeakPolarHBondContact CA-OG1 3.46Å; Y217-T220 PolarHBondContact O-N 3.15Å; Y217-T220 PolarHBondContact O-OG1 2.98Å; T220-S222 PolarHBondContact O-N 3.1Å
221D95.3Very high96.1Very high107 Ų10740.2 Ų40.257%0.57222%0.219SC*.THydrogen-bonded Turntrans-77.5-2176.3-61.5-11.1000112R183 Y217R183-D221 IonicContact NH1-OD2 2.71Å; R183-D221 PolarHBondContact NH1-OD2 3.45Å; Y217-D221 WeakPolarHBondContact O-CB 3.31Å; Y217-D221 PolarHBondContact O-N 2.87Å
222S93.1Very high96.1Very high36 Ų3640.2 Ų40.225%0.25222%0.219SC..SBendtrans-119.6151-177.6-61.40000111.4A218 I219 T220 S224A218-S222 WeakPolarHBondContact O-CB 3.49Å; A218-S222 PolarHBondContact O-OG 3.48Å; I219-S222 PolarHBondContact O-N 3.38Å; I219-S222 VanDerWaalsContact O-O 3.07Å; T220-S222 PolarHBondContact O-N 3.1Å; S222-S224 PolarHBondContact O-N 2.87Å
223P90.5Very high96.1Very high139 Ų13940.2 Ų40.290%0.90322%0.219SC*.SBendtrans-69.594.6173.129.1-33.3000109.5
224S90.4Very high96Very high38 Ų3840.6 Ų40.627%0.26622%0.221SC..  trans-140.9149.2177.7790000111.1I219 S222 L226I219-S224 WeakPolarHBondContact CG2-OG 3.35Å; I219-S224 PolarHBondContact O-OG 2.87Å; S222-S224 PolarHBondContact O-N 2.87Å; S224-L226 VanDerWaalsContact C-N 3.26Å
225N92.2Very high96Very high128 Ų12838 Ų3868%0.68421%0.211SC*.  trans-94.918.9173.7-65.9-22.2000111.8S195S195-N225 VanDerWaalsContact OG-CB 3.3Å; S195-N225 WeakPolarHBondContact OG-CB 3.12Å
226L96.4Very high96Very high19 Ų1938.3 Ų38.310%0.09921%0.213CC..  trans-84.1140.1-178-66.1165.1000109.3L190 G194 S196 I198 I219 S224L190-L226 HydrophobicContact CB-CD1 3.51Å; L190-L226 HydrophobicContact CD1-CD1 3.86Å; L190-L226 HydrophobicContact CG-CD1 4.33Å; G194-L226 WeakPolarHBondContact O-CD2 3.43Å; S196-L226 WeakPolarHBondContact O-CA 3.36Å; I198-L226 HydrophobicContact CD1-CD2 4.01Å; I198-L226 HydrophobicContact CG1-CB 4.34Å; I198-L226 HydrophobicContact CG1-CD2 4.21Å; I219-L226 HydrophobicContact CG2-CB 3.89Å; S224-L226 VanDerWaalsContact C-N 3.26Å
227T96.3Very high95.9Very high59 Ų5938.6 Ų38.636%0.36221%0.214SC..EExtended strand (participates in β ladder)trans-114.3122.3174.9-60.70000109.6V107 S196 F197 I198 L229V107-T227 HydrophobicContact CG1-CG2 4.38Å; S196-T227 PolarHBondContact O-N 2.81Å; S196-T227 VanDerWaalsContact O-N 3.17Å; F197-T227 CarbonylContact C-O 3.58Å; F197-T227 VanDerWaalsContact CA-O 3.29Å; F197-T227 WeakPolarHBondContact CA-O 3.11Å; F197-T227 HydrophobicContact CD1-CG2 3.89Å; F197-T227 HydrophobicContact CE1-CG2 3.94Å; I198-T227 PolarHBondContact N-O 2.83Å; T227-L229 HydrophobicContact CG2-CD2 4.34Å
228M97.4Very high95.9Very high12 Ų1236.4 Ų36.46%0.05921%0.208CC..EExtended strand (participates in β ladder)trans-80.5135.6175.1-176.862.670.900110.6I198 M200 A215 Y216 I219 F230I198-M228 HydrophobicContact CB-CE 4.03Å; I198-M228 HydrophobicContact CB-SD 4.05Å; I198-M228 HydrophobicContact CG2-CE 3.67Å; I198-M228 HydrophobicContact CG2-SD 3.87Å; I198-M228 CarbonylContact O-C 3.51Å; I198-M228 WeakPolarHBondContact O-CA 3.35Å; M200-M228 HydrophobicContact CB-SD 3.99Å; M200-M228 HydrophobicContact CG-CE 4.03Å; M200-M228 HydrophobicContact CG-SD 3.52Å; M200-M228 VanDerWaalsContact CG-SD 3.52Å; M200-M228 HydrophobicContact SD-CE 3.62Å; M200-M228 HydrophobicContact SD-SD 3.86Å; A215-M228 HydrophobicContact CB-CE 4.36Å; Y216-M228 HydrophobicContact CD2-CB 3.73Å; Y216-M228 HydrophobicContact CD2-CG 3.89Å; Y216-M228 HydrophobicContact CE2-CB 4.38Å; I219-M228 HydrophobicContact CD1-CE 3.46Å; I219-M228 VanDerWaalsContact CD1-CE 3.46Å; M228-F230 HydrophobicContact CG-CD1 4.37Å; M228-F230 HydrophobicContact CG-CE1 3.76Å; M228-F230 HydrophobicContact CG-CE2 4.24Å; M228-F230 HydrophobicContact CG-CZ 3.71Å; M228-F230 HydrophobicContact SD-CE1 4.2Å
229L98.1Very high96Very high3 Ų336.4 Ų36.42%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-127.3135172.6-60179.1000109F73 V107 P111 F197 I198 Y199 M200 T227F73-L229 HydrophobicContact CE2-CD1 3.86Å; F73-L229 HydrophobicContact CZ-CD1 3.57Å; V107-L229 HydrophobicContact CB-CD2 4.45Å; V107-L229 HydrophobicContact CG1-CD2 3.68Å; V107-L229 HydrophobicContact CG2-CD2 3.94Å; P111-L229 HydrophobicContact CG-CD1 4.03Å; P111-L229 HydrophobicContact CG-CD2 4.06Å; F197-L229 HydrophobicContact CB-CD1 3.86Å; F197-L229 HydrophobicContact CB-CG 4.39Å; F197-L229 HydrophobicContact CD1-CD1 3.64Å; F197-L229 HydrophobicContact CD1-CD2 4.4Å; F197-L229 HydrophobicContact CD1-CG 3.95Å; F197-L229 HydrophobicContact CE1-CD1 4.41Å; F197-L229 HydrophobicContact CG-CD1 3.81Å; F197-L229 HydrophobicContact CG-CG 4.47Å; I198-L229 PolarHBondContact O-N 2.87Å; Y199-L229 CarbonylContact C-O 3.57Å; Y199-L229 WeakPolarHBondContact CA-O 3.14Å; Y199-L229 HydrophobicContact CD2-CB 3.98Å; M200-L229 PolarHBondContact N-O 3.14Å; T227-L229 HydrophobicContact CG2-CD2 4.34Å
230F98.4Very high96Very high2 Ų237.2 Ų37.21%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-98.9132175.1-59.2-63.8000110.8S74 V75 I105 F106 M200 A202 F203 L213 Y216 M228 N232S74-F230 CarbonylContact C-O 3.57Å; S74-F230 VanDerWaalsContact CA-O 3.23Å; S74-F230 WeakPolarHBondContact CA-O 3.43Å; V75-F230 HydrophobicContact CB-CB 4.48Å; V75-F230 PolarHBondContact N-O 2.85Å; I105-F230 HydrophobicContact CD1-CD2 4.5Å; I105-F230 HydrophobicContact CD1-CE2 3.48Å; I105-F230 VanDerWaalsContact CD1-CE2 3.48Å; I105-F230 HydrophobicContact CD1-CZ 3.82Å; I105-F230 HydrophobicContact CG1-CE2 3.87Å; F106-F230 AromaticContact CD1-CD2 3.91Å; F106-F230 HydrophobicContact CD1-CD2 3.91Å; F106-F230 HydrophobicContact CD1-CE2 4.43Å; F106-F230 AromaticContact CE1-CD2 3.93Å; F106-F230 HydrophobicContact CE1-CD2 3.93Å; F106-F230 HydrophobicContact CE1-CE2 4.49Å; M200-F230 HydrophobicContact CB-CD1 4.17Å; M200-F230 HydrophobicContact CB-CE1 4.46Å; M200-F230 CarbonylContact O-C 3.5Å; M200-F230 VanDerWaalsContact O-CA 3.25Å; M200-F230 WeakPolarHBondContact O-CA 3.48Å; A202-F230 HydrophobicContact CB-CB 4.48Å; A202-F230 HydrophobicContact CB-CD1 3.45Å; A202-F230 VanDerWaalsContact CB-CD1 3.45Å; A202-F230 HydrophobicContact CB-CE1 3.94Å; A202-F230 HydrophobicContact CB-CG 4.16Å; F203-F230 HydrophobicContact CD2-CB 4.26Å; F203-F230 HydrophobicContact CE2-CB 3.98Å; F203-F230 HydrophobicContact CE2-CD2 4.45Å; F203-F230 HydrophobicContact CE2-CG 4.2Å; L213-F230 HydrophobicContact CD2-CZ 4.49Å; Y216-F230 HydrophobicContact CD2-CE2 4.28Å; Y216-F230 HydrophobicContact CD2-CZ 4.06Å; Y216-F230 HydrophobicContact CG-CZ 4.26Å; M228-F230 HydrophobicContact CG-CD1 4.37Å; M228-F230 HydrophobicContact CG-CE1 3.76Å; M228-F230 HydrophobicContact CG-CE2 4.24Å; M228-F230 HydrophobicContact CG-CZ 3.71Å; M228-F230 HydrophobicContact SD-CE1 4.2Å; F230-N232 PolarHBondContact O-N 2.93Å
231A98.1Very high96.1Very high0 Ų040.1 Ų40.10%022%0.224CC..BIsolated β-bridgetrans-62.7135176.200000110.4Y199 M200 P201 L236Y199-A231 HydrophobicContact CE1-CB 3.75Å; Y199-A231 HydrophobicContact CE2-CB 3.95Å; Y199-A231 WeakPolarHBondContact OH-CA 3.31Å; Y199-A231 WeakPolarHBondContact OH-CB 3.48Å; M200-A231 PolarHBondContact O-N 2.99Å; P201-A231 HydrophobicContact CB-CB 4.01Å; A231-L236 HydrophobicContact CB-CD1 3.98Å; A231-L236 HydrophobicContact CB-CD2 4.41Å; A231-L236 HydrophobicContact CB-CG 4.33Å
232N97.8Very high96.2Very high3 Ų335.7 Ų35.72%0.01620%0.2CC..PPolyproline II helixtrans-76.8123.6171.5-170-33.1000109.9M72 F73 V75 F230 D234 F235 L236M72-N232 WeakPolarHBondContact O-CB 3.4Å; F73-N232 PolarHBondContact O-N 3.13Å; V75-N232 HydrophobicContact CG2-CB 4.09Å; F230-N232 PolarHBondContact O-N 2.93Å; N232-D234 PolarHBondContact O-N 2.89Å; N232-D234 WeakPolarHBondContact OD1-CB 3.47Å; N232-D234 PolarHBondContact OD1-N 3.03Å; N232-F235 HydrophobicContact CB-CB 4.13Å; N232-F235 WeakPolarHBondContact O-CB 3.28Å; N232-F235 PolarHBondContact O-N 3.1Å; N232-F235 VanDerWaalsContact O-N 3.13Å; N232-L236 PolarHBondContact O-N 3.43Å
233P97.5Very high96.4Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-66.2-25.9-179.725.8-33.1000113.5L86 W87 D89 F203 F235 L236 R237L86-P233 HydrophobicContact CB-CG 4.14Å; W87-P233 VanDerWaalsContact O-CB 3.29Å; W87-P233 WeakPolarHBondContact O-CB 3.49Å; D89-P233 HydrophobicContact CB-CB 4.36Å; F203-P233 HydrophobicContact CB-CG 4.21Å; F203-P233 VanDerWaalsContact O-CB 3.31Å; F203-P233 WeakPolarHBondContact O-CB 3.41Å; P233-F235 VanDerWaalsContact C-N 3.32Å; P233-L236 PolarHBondContact O-N 3.19Å; P233-R237 VanDerWaalsContact O-CB 3.27Å; P233-R237 WeakPolarHBondContact O-CB 3.35Å; P233-R237 PolarHBondContact O-N 2.94Å
234D96.6Very high96.7Very high41 Ų4134 Ų3422%0.21917%0.174CC..Hα-helixtrans-65.2-38.8173.6-68.1-32000111.2M72 N232 R237 N238M72-D234 HydrophobicContact CE-CB 3.54Å; N232-D234 PolarHBondContact O-N 2.89Å; N232-D234 WeakPolarHBondContact OD1-CB 3.47Å; N232-D234 PolarHBondContact OD1-N 3.03Å; D234-R237 IonicContact OD1-CZ 4Å; D234-R237 IonicContact OD1-NE 2.78Å; D234-R237 IonicContact OD1-NH2 2.89Å; D234-R237 PolarHBondContact OD1-NH2 3.07Å; D234-N238 VanDerWaalsContact O-CB 3.3Å; D234-N238 WeakPolarHBondContact O-CB 3.29Å; D234-N238 PolarHBondContact O-N 2.97Å
235F97.2Very high96.9Very high2 Ų236.2 Ų36.21%0.00919%0.194CC..Hα-helixtrans-62.8-49.6174.3177.8-106.6000111.3C67 P69 M72 F73 N232 P233 R237 N238 V239C67-F235 HydrophobicContact CB-CD2 3.95Å; C67-F235 HydrophobicContact CB-CE2 4.22Å; C67-F235 WeakPolarHBondContact O-CD2 3.43Å; P69-F235 HydrophobicContact CB-CE2 4.06Å; P69-F235 HydrophobicContact CB-CZ 4.47Å; P69-F235 HydrophobicContact CG-CE2 4Å; M72-F235 HydrophobicContact CB-CB 3.96Å; M72-F235 HydrophobicContact CB-CD2 4.13Å; M72-F235 HydrophobicContact CB-CG 4.46Å; M72-F235 WeakPolarHBondContact O-CB 3.46Å; F73-F235 HydrophobicContact CB-CE1 4.4Å; N232-F235 HydrophobicContact CB-CB 4.13Å; N232-F235 WeakPolarHBondContact O-CB 3.28Å; N232-F235 PolarHBondContact O-N 3.1Å; N232-F235 VanDerWaalsContact O-N 3.13Å; P233-F235 VanDerWaalsContact C-N 3.32Å; F235-R237 VanDerWaalsContact C-N 3.33Å; F235-R237 PolarHBondContact O-N 3.35Å; F235-N238 PolarHBondContact O-N 3.08Å; F235-V239 HydrophobicContact CD1-CG2 4.43Å; F235-V239 HydrophobicContact CD2-CG2 4.01Å; F235-V239 HydrophobicContact CE1-CG2 4.1Å; F235-V239 HydrophobicContact CE2-CG2 3.62Å; F235-V239 HydrophobicContact CG-CG2 4.39Å; F235-V239 HydrophobicContact CZ-CG2 3.68Å; F235-V239 WeakPolarHBondContact O-CB 3.32Å; F235-V239 VanDerWaalsContact O-CG2 3.31Å; F235-V239 WeakPolarHBondContact O-CG2 3.28Å; F235-V239 PolarHBondContact O-N 2.92Å
236L97.3Very high97.1Very high8 Ų833.5 Ų33.54%0.04218%0.175CC..Hα-helixtrans-58.6-45.2179.1-60.7-179.5000111.6D89 P201 A231 N232 P233 G240 F258D89-L236 HydrophobicContact CB-CB 4.17Å; D89-L236 WeakPolarHBondContact OD1-CD1 3.21Å; P201-L236 HydrophobicContact CB-CD1 4.18Å; A231-L236 HydrophobicContact CB-CD1 3.98Å; A231-L236 HydrophobicContact CB-CD2 4.41Å; A231-L236 HydrophobicContact CB-CG 4.33Å; N232-L236 PolarHBondContact O-N 3.43Å; P233-L236 PolarHBondContact O-N 3.19Å; L236-G240 PolarHBondContact O-N 3.26Å; L236-F258 HydrophobicContact CB-CE1 4.04Å; L236-F258 HydrophobicContact CB-CZ 4.03Å; L236-F258 HydrophobicContact CD2-CD1 3.7Å; L236-F258 HydrophobicContact CD2-CD2 4.02Å; L236-F258 HydrophobicContact CD2-CE1 3.77Å; L236-F258 HydrophobicContact CD2-CE2 4.06Å; L236-F258 HydrophobicContact CD2-CG 3.84Å; L236-F258 HydrophobicContact CD2-CZ 3.93Å; L236-F258 VanDerWaalsContact O-CE1 3.27Å; L236-F258 WeakPolarHBondContact O-CE1 3.38Å
237R96.5Very high96.9Very high49 Ų4933.4 Ų33.419%0.18518%0.179CC..Hα-helixtrans-63.6-45.3177.3171.9168.235.4-105.3-6.4112.7W87 Y88 D89 P233 D234 F235 G240 K241W87-R237 PolarHBondContact O-NH1 2.91Å; W87-R237 PolarHBondContact O-NH2 2.79Å; Y88-R237 PolarHBondContact O-NH1 3.45Å; D89-R237 VanDerWaalsContact CA-NH1 3.32Å; D89-R237 HydrophobicContact CB-CB 3.98Å; P233-R237 VanDerWaalsContact O-CB 3.27Å; P233-R237 WeakPolarHBondContact O-CB 3.35Å; P233-R237 PolarHBondContact O-N 2.94Å; D234-R237 IonicContact OD1-CZ 4Å; D234-R237 IonicContact OD1-NE 2.78Å; D234-R237 IonicContact OD1-NH2 2.89Å; D234-R237 PolarHBondContact OD1-NH2 3.07Å; F235-R237 VanDerWaalsContact C-N 3.33Å; F235-R237 PolarHBondContact O-N 3.35Å; R237-G240 PolarHBondContact O-N 2.8Å; R237-K241 PolarHBondContact O-N 3.13Å
238N97.3Very high96.9Very high45 Ų4530.7 Ų30.724%0.24116%0.162CC..Hα-helixtrans-70.9-40.2-177.4-72.7-3.7000112C66 C67 D234 F235 G240 K241 F242C66-N238 PolarHBondContact O-ND2 3.1Å; C66-N238 VanDerWaalsContact O-ND2 3.12Å; C67-N238 HydrophobicContact CB-CB 3.74Å; D234-N238 VanDerWaalsContact O-CB 3.3Å; D234-N238 WeakPolarHBondContact O-CB 3.29Å; D234-N238 PolarHBondContact O-N 2.97Å; F235-N238 PolarHBondContact O-N 3.08Å; N238-G240 VanDerWaalsContact C-N 3.29Å; N238-G240 PolarHBondContact O-N 2.82Å; N238-K241 PolarHBondContact O-N 2.85Å; N238-F242 WeakPolarHBondContact O-CB 3.46Å; N238-F242 PolarHBondContact O-N 3.33Å
239V97.6Very high96.7Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-62.3-39.5171.3173.30000110.6C67 F235 K241 F242 W243 L253 F258 S261C67-V239 HydrophobicContact CB-CG2 4.15Å; F235-V239 HydrophobicContact CD1-CG2 4.43Å; F235-V239 HydrophobicContact CD2-CG2 4.01Å; F235-V239 HydrophobicContact CE1-CG2 4.1Å; F235-V239 HydrophobicContact CE2-CG2 3.62Å; F235-V239 HydrophobicContact CG-CG2 4.39Å; F235-V239 HydrophobicContact CZ-CG2 3.68Å; F235-V239 WeakPolarHBondContact O-CB 3.32Å; F235-V239 VanDerWaalsContact O-CG2 3.31Å; F235-V239 WeakPolarHBondContact O-CG2 3.28Å; F235-V239 PolarHBondContact O-N 2.92Å; V239-K241 PolarHBondContact O-N 3.1Å; V239-F242 WeakPolarHBondContact O-CB 3.24Å; V239-F242 PolarHBondContact O-N 2.86Å; V239-W243 PolarHBondContact O-N 2.92Å; V239-W243 VanDerWaalsContact O-N 3.08Å; V239-L253 HydrophobicContact CG1-CD1 3.87Å; V239-F258 HydrophobicContact CB-CD1 4Å; V239-F258 HydrophobicContact CB-CE1 3.94Å; V239-F258 HydrophobicContact CG1-CD1 3.66Å; V239-F258 HydrophobicContact CG1-CE1 3.88Å; V239-S261 VanDerWaalsContact CG1-OG 3.27Å; V239-S261 WeakPolarHBondContact CG1-OG 3.48Å
240G96.8Very high96.3Very high20 Ų2036.2 Ų36.221%0.20619%0.191CC..Hα-helixtrans-51.7-52170.100000112.9L236 R237 N238 F242 K244L236-G240 PolarHBondContact O-N 3.26Å; R237-G240 PolarHBondContact O-N 2.8Å; N238-G240 VanDerWaalsContact C-N 3.29Å; N238-G240 PolarHBondContact O-N 2.82Å; G240-F242 PolarHBondContact O-N 3.18Å; G240-K244 WeakPolarHBondContact O-CB 3.25Å; G240-K244 PolarHBondContact O-N 2.87Å
241K96.9Very high95.9Very high132 Ų13242.8 Ų42.857%0.57422%0.224SC*.Hα-helixtrans-62.8-40.9176.6-68.4174.3-178.9176.20112.4R237 N238 V239 W243 K244 A245R237-K241 PolarHBondContact O-N 3.13Å; N238-K241 PolarHBondContact O-N 2.85Å; V239-K241 PolarHBondContact O-N 3.1Å; K241-W243 PolarHBondContact O-N 3.27Å; K241-K244 PolarHBondContact O-N 3.36Å; K241-A245 PolarHBondContact O-N 3.26Å
242F97.6Very high95.5Very high14 Ų1445 Ų456%0.06123%0.232CC..Hα-helixtrans-58.3-45.8-179.7173.3-90000112.7Y59 L62 L63 C66 N238 V239 G240 R246Y59-F242 HydrophobicContact CD1-CZ 4.09Å; Y59-F242 HydrophobicContact CE1-CE1 4.34Å; Y59-F242 HydrophobicContact CE1-CZ 4.02Å; L62-F242 HydrophobicContact CB-CE2 3.95Å; L63-F242 HydrophobicContact CD2-CD1 4.07Å; L63-F242 HydrophobicContact CD2-CD2 4.38Å; L63-F242 HydrophobicContact CD2-CE1 3.93Å; L63-F242 HydrophobicContact CD2-CE2 4.25Å; L63-F242 HydrophobicContact CD2-CG 4.3Å; L63-F242 HydrophobicContact CD2-CZ 4.03Å; L63-F242 HydrophobicContact CG-CE1 4.49Å; L63-F242 HydrophobicContact CG-CE2 4.43Å; L63-F242 HydrophobicContact CG-CZ 4.18Å; C66-F242 HydrophobicContact CB-CD2 4.12Å; N238-F242 WeakPolarHBondContact O-CB 3.46Å; N238-F242 PolarHBondContact O-N 3.33Å; V239-F242 WeakPolarHBondContact O-CB 3.24Å; V239-F242 PolarHBondContact O-N 2.86Å; G240-F242 PolarHBondContact O-N 3.18Å; F242-R246 VanDerWaalsContact CD2-NH1 3.29Å; F242-R246 VanDerWaalsContact CE2-NH1 3.25Å; F242-R246 VanDerWaalsContact CZ-CZ 3.45Å; F242-R246 PolarHBondContact O-NH1 3.18Å
243W97.8Very high95.3Very high0 Ų045.4 Ų45.40%023%0.234CC..Hα-helixtrans-79-32.4178.5-69.7109.3000112.8Y59 V239 K241 A245 R246 G247 V248 L253 L257 S261 L264 Q310 L314Y59-W243 HydrophobicContact CE1-CH2 4.41Å; V239-W243 PolarHBondContact O-N 2.92Å; V239-W243 VanDerWaalsContact O-N 3.08Å; K241-W243 PolarHBondContact O-N 3.27Å; W243-A245 VanDerWaalsContact C-N 3.28Å; W243-A245 PolarHBondContact O-N 3.14Å; W243-R246 CarbonylContact O-C 3.5Å; W243-R246 WeakPolarHBondContact O-CA 3.38Å; W243-R246 PolarHBondContact O-N 2.75Å; W243-G247 PolarHBondContact O-N 3.45Å; W243-V248 HydrophobicContact CB-CB 4.03Å; W243-V248 HydrophobicContact CB-CG2 4.06Å; W243-V248 HydrophobicContact CE3-CG2 4.5Å; W243-V248 PolarHBondContact O-N 3.06Å; W243-L253 HydrophobicContact CB-CD1 4.07Å; W243-L253 HydrophobicContact CB-CD2 4.14Å; W243-L253 VanDerWaalsContact CD1-CD1 3.46Å; W243-L253 HydrophobicContact CG-CD1 4.07Å; W243-L257 HydrophobicContact CB-CD2 4.24Å; W243-L257 HydrophobicContact CD2-CD1 4.2Å; W243-L257 HydrophobicContact CD2-CD2 3.89Å; W243-L257 HydrophobicContact CD2-CG 4.22Å; W243-L257 HydrophobicContact CG-CD2 3.74Å; W243-L257 HydrophobicContact CG-CG 4.28Å; W243-L257 HydrophobicContact CH2-CD1 4.19Å; W243-L257 HydrophobicContact CZ2-CD1 3.73Å; W243-L257 HydrophobicContact CZ2-CG 4.37Å; W243-S261 PolarHBondContact NE1-OG 2.93Å; W243-L264 HydrophobicContact CZ2-CD1 4.49Å; W243-Q310 HydrophobicContact CE3-CB 4.2Å; W243-Q310 HydrophobicContact CE3-CG 4.27Å; W243-Q310 HydrophobicContact CZ3-CB 3.81Å; W243-Q310 HydrophobicContact CZ3-CG 4.31Å; W243-L314 HydrophobicContact CH2-CD1 3.74Å; W243-L314 HydrophobicContact CZ3-CD1 4.31Å
244K96.3Very high95.3Very high139 Ų13946.1 Ų46.160%0.60424%0.239SC*.Hα-helixtrans-58.3-41.9171.4-173.6173.9-178.3174.50112.1G240 K241 R246 G247 V248G240-K244 WeakPolarHBondContact O-CB 3.25Å; G240-K244 PolarHBondContact O-N 2.87Å; K241-K244 PolarHBondContact O-N 3.36Å; K244-R246 PolarHBondContact O-N 3.09Å; K244-R246 VanDerWaalsContact O-N 3.14Å; K244-G247 PolarHBondContact O-N 3.38Å; K244-V248 VanDerWaalsContact CA-O 3.3Å; K244-V248 WeakPolarHBondContact CA-O 3.18Å
245A96Very high95.3Very high84 Ų8445.7 Ų45.769%0.69424%0.238SC*.THydrogen-bonded Turntrans-65.5-11.7174.100000113.9K241 W243K241-A245 PolarHBondContact O-N 3.26Å; W243-A245 VanDerWaalsContact C-N 3.28Å; W243-A245 PolarHBondContact O-N 3.14Å
246R94.9Very high95.3Very high71 Ų7146 Ų4627%0.26824%0.241SC..THydrogen-bonded Turntrans-112.220.8178.4-69.6169.4175.768.25.9112.2F242 W243 K244 Q310F242-R246 VanDerWaalsContact CD2-NH1 3.29Å; F242-R246 VanDerWaalsContact CE2-NH1 3.25Å; F242-R246 VanDerWaalsContact CZ-CZ 3.45Å; F242-R246 PolarHBondContact O-NH1 3.18Å; W243-R246 CarbonylContact O-C 3.5Å; W243-R246 WeakPolarHBondContact O-CA 3.38Å; W243-R246 PolarHBondContact O-N 2.75Å; K244-R246 PolarHBondContact O-N 3.09Å; K244-R246 VanDerWaalsContact O-N 3.14Å; R246-Q310 PolarHBondContact O-NE2 2.74Å; R246-Q310 PolarHBondContact O-OE1 2.89Å
247G93.4Very high95.4Very high18 Ų1845.6 Ų45.619%0.18624%0.239CC..THydrogen-bonded Turntrans84.224.217200000115.1Y30 W243 K244 H249 E306Y30-G247 PolarHBondContact OH-O 3.28Å; W243-G247 PolarHBondContact O-N 3.45Å; K244-G247 PolarHBondContact O-N 3.38Å; G247-H249 PolarHBondContact O-CE1 3.46Å; G247-H249 PolarHBondContact O-ND1 3.39Å; G247-E306 VanDerWaalsContact O-OE2 3.09Å
248V95.5Very high95.4Very high1 Ų144.3 Ų44.31%0.00624%0.235CC..  trans-99.9102.6167.5-1770000109.9W243 K244 A250 L253 E306 E307 Q310W243-V248 HydrophobicContact CB-CB 4.03Å; W243-V248 HydrophobicContact CB-CG2 4.06Å; W243-V248 HydrophobicContact CE3-CG2 4.5Å; W243-V248 PolarHBondContact O-N 3.06Å; K244-V248 VanDerWaalsContact CA-O 3.3Å; K244-V248 WeakPolarHBondContact CA-O 3.18Å; V248-A250 VanDerWaalsContact C-N 3.32Å; V248-A250 HydrophobicContact CG1-CB 4.23Å; V248-A250 PolarHBondContact O-N 2.87Å; V248-L253 HydrophobicContact CB-CD2 4.47Å; V248-L253 HydrophobicContact CG1-CD2 3.66Å; V248-E306 WeakPolarHBondContact CA-OE2 3.46Å; V248-E307 HydrophobicContact CG1-CG 3.81Å; V248-Q310 HydrophobicContact CG2-CG 3.59Å
249H93.2Very high95.5Very high108 Ų10842.3 Ų42.350%0.522%0.224SC..  trans-97.442.6-174.8-49.790.1000111.9G247 E306G247-H249 PolarHBondContact O-CE1 3.46Å; G247-H249 PolarHBondContact O-ND1 3.39Å; H249-E306 WeakPolarHBondContact CB-OE2 3.25Å; H249-E306 IonicContact CG-OE2 2.72Å; H249-E306 PolarHBondContact N-OE2 3.26Å; H249-E306 IonicContact ND1-OE1 3.89Å; H249-E306 IonicContact ND1-OE2 3.63Å; H249-E306 PolarHBondContact ND1-OE2 3.34Å
250A90.2Very high95.5Very high23 Ų2342.3 Ų42.319%0.1922%0.224CC..  trans-78.1148.8173.900000111.2V248 R252 L253 A303V248-A250 VanDerWaalsContact C-N 3.32Å; V248-A250 HydrophobicContact CG1-CB 4.23Å; V248-A250 PolarHBondContact O-N 2.87Å; A250-R252 VanDerWaalsContact CB-O 3.32Å; A250-R252 WeakPolarHBondContact CB-O 3.45Å; A250-L253 HydrophobicContact CB-CD2 4.37Å; A250-A303 HydrophobicContact CB-CB 3.77Å
251M88.6Confident95.6Very high141 Ų14141.3 Ų41.370%0.69521%0.214SC*.SBendtrans-61.4-41.3163.9-176.5-175.5176.900109.8F301M251-F301 PolarHBondContact N-O 3.38Å
252R90.3Very high95.6Very high46 Ų4635.2 Ų35.217%0.17419%0.188CC..SBendtrans-142.9140.2175-56-163.867.9-175.9-6.7110.1D89 S204 M205 A250 F301 H302D89-R252 IonicContact OD1-NH2 3.09Å; D89-R252 PolarHBondContact OD1-NH2 3.06Å; D89-R252 IonicContact OD2-CZ 3.92Å; D89-R252 IonicContact OD2-NE 3.64Å; D89-R252 IonicContact OD2-NH2 2.74Å; D89-R252 PolarHBondContact OD2-NH2 2.92Å; S204-R252 PolarHBondContact OG-NH2 2.62Å; M205-R252 VanDerWaalsContact CG-NH1 3.25Å; M205-R252 PolarHBondContact SD-NH1 2.85Å; A250-R252 VanDerWaalsContact CB-O 3.32Å; A250-R252 WeakPolarHBondContact CB-O 3.45Å; R252-F301 PolarHBondContact N-O 2.99Å; R252-H302 PolarHBondContact O-ND1 2.85Å
253L95Very high95.7Very high12 Ų1234.5 Ų34.56%0.06319%0.185CC..  trans-67.5152.7174.1-56.1-175.8000111.3V239 W243 V248 A250 L257 F258 H302 E307V239-L253 HydrophobicContact CG1-CD1 3.87Å; W243-L253 HydrophobicContact CB-CD1 4.07Å; W243-L253 HydrophobicContact CB-CD2 4.14Å; W243-L253 VanDerWaalsContact CD1-CD1 3.46Å; W243-L253 HydrophobicContact CG-CD1 4.07Å; V248-L253 HydrophobicContact CB-CD2 4.47Å; V248-L253 HydrophobicContact CG1-CD2 3.66Å; A250-L253 HydrophobicContact CB-CD2 4.37Å; L253-L257 HydrophobicContact CD1-CD2 4.17Å; L253-L257 HydrophobicContact CD2-CD2 4.06Å; L253-L257 HydrophobicContact CG-CD2 4.5Å; L253-F258 HydrophobicContact CB-CD2 4.33Å; L253-F258 HydrophobicContact CB-CE1 4.23Å; L253-F258 HydrophobicContact CB-CE2 3.83Å; L253-F258 HydrophobicContact CB-CZ 3.77Å; L253-F258 HydrophobicContact CD1-CD1 4.46Å; L253-F258 HydrophobicContact CD1-CE1 3.95Å; L253-F258 HydrophobicContact CD1-CZ 4.25Å; L253-F258 HydrophobicContact CG-CE1 4.49Å; L253-F258 HydrophobicContact CG-CZ 4.29Å; L253-H302 PolarHBondContact O-CE1 3.26Å; L253-H302 PolarHBondContact O-ND1 2.93Å; L253-E307 WeakPolarHBondContact CA-OE1 3.34Å
254S96.3Very high95.7Very high15 Ų1534.7 Ų34.711%0.10519%0.186CC..  trans-66.2153.8170.679.40000111.5G256 L257 F258 E307S254-G256 PolarHBondContact O-N 3.12Å; S254-G256 PolarHBondContact OG-N 2.84Å; S254-L257 PolarHBondContact O-N 2.9Å; S254-L257 PolarHBondContact OG-N 3.25Å; S254-L257 VanDerWaalsContact OG-N 3.14Å; S254-F258 VanDerWaalsContact O-CD2 3.28Å; S254-F258 WeakPolarHBondContact O-CD2 3.26Å; S254-F258 PolarHBondContact O-N 3.22Å; S254-E307 WeakPolarHBondContact CB-OE2 3.35Å; S254-E307 PolarHBondContact N-OE1 3.19Å; S254-E307 PolarHBondContact OG-OE2 2.65Å
255T96.6Very high95.7Very high32 Ų3228.6 Ų28.620%0.19616%0.162CC..Hα-helixtrans-51.4-39.4168.5-58.70000111.6C145 N146 T166 L257 F258 L259C145-T255 HydrophobicContact CB-CG2 4.26Å; N146-T255 PolarHBondContact ND2-OG1 2.85Å; N146-T255 PolarHBondContact OD1-OG1 2.8Å; T166-T255 HydrophobicContact CG2-CG2 3.74Å; T166-T255 WeakPolarHBondContact OG1-CG2 3.26Å; T255-L257 PolarHBondContact O-N 3.36Å; T255-F258 PolarHBondContact O-N 2.93Å; T255-L259 PolarHBondContact O-N 3.47Å; T255-L259 VanDerWaalsContact O-N 3.1Å
256G97.9Very high95.7Very high7 Ų725.1 Ų25.17%0.07213%0.132CC..Hα-helixtrans-59.8-48.4-179.100000111.7S254 F258 L259 V260S254-G256 PolarHBondContact O-N 3.12Å; S254-G256 PolarHBondContact OG-N 2.84Å; G256-F258 VanDerWaalsContact C-N 3.32Å; G256-F258 PolarHBondContact O-N 2.89Å; G256-L259 PolarHBondContact O-N 2.87Å; G256-L259 VanDerWaalsContact O-N 3.15Å; G256-V260 WeakPolarHBondContact O-CG2 3.09Å; G256-V260 PolarHBondContact O-N 2.81Å
257L97.9Very high95.9Very high0 Ų021.8 Ų21.80%012%0.119CC..Hα-helixtrans-68.3-30.8-178.7-168.661.5000112.7W243 L253 S254 T255 V260 S261 E307 L311W243-L257 HydrophobicContact CB-CD2 4.24Å; W243-L257 HydrophobicContact CD2-CD1 4.2Å; W243-L257 HydrophobicContact CD2-CD2 3.89Å; W243-L257 HydrophobicContact CD2-CG 4.22Å; W243-L257 HydrophobicContact CG-CD2 3.74Å; W243-L257 HydrophobicContact CG-CG 4.28Å; W243-L257 HydrophobicContact CH2-CD1 4.19Å; W243-L257 HydrophobicContact CZ2-CD1 3.73Å; W243-L257 HydrophobicContact CZ2-CG 4.37Å; L253-L257 HydrophobicContact CD1-CD2 4.17Å; L253-L257 HydrophobicContact CD2-CD2 4.06Å; L253-L257 HydrophobicContact CG-CD2 4.5Å; S254-L257 PolarHBondContact O-N 2.9Å; S254-L257 PolarHBondContact OG-N 3.25Å; S254-L257 VanDerWaalsContact OG-N 3.14Å; T255-L257 PolarHBondContact O-N 3.36Å; L257-V260 HydrophobicContact CD1-CB 4.49Å; L257-V260 PolarHBondContact O-N 3.39Å; L257-S261 WeakPolarHBondContact O-CB 3.27Å; L257-S261 PolarHBondContact O-N 3.25Å; L257-S261 PolarHBondContact O-OG 3Å; L257-E307 HydrophobicContact CD2-CB 4.03Å; L257-E307 HydrophobicContact CD2-CG 3.66Å; L257-L311 HydrophobicContact CD1-CD2 4.02Å
258F97.6Very high96Very high22 Ų2224.4 Ų24.410%0.09613%0.129CC..Hα-helixtrans-62.3-44.9169.7-73.7-57.3000112.2L236 V239 L253 S254 T255 G256 S261 L262L236-F258 HydrophobicContact CB-CE1 4.04Å; L236-F258 HydrophobicContact CB-CZ 4.03Å; L236-F258 HydrophobicContact CD2-CD1 3.7Å; L236-F258 HydrophobicContact CD2-CD2 4.02Å; L236-F258 HydrophobicContact CD2-CE1 3.77Å; L236-F258 HydrophobicContact CD2-CE2 4.06Å; L236-F258 HydrophobicContact CD2-CG 3.84Å; L236-F258 HydrophobicContact CD2-CZ 3.93Å; L236-F258 VanDerWaalsContact O-CE1 3.27Å; L236-F258 WeakPolarHBondContact O-CE1 3.38Å; V239-F258 HydrophobicContact CB-CD1 4Å; V239-F258 HydrophobicContact CB-CE1 3.94Å; V239-F258 HydrophobicContact CG1-CD1 3.66Å; V239-F258 HydrophobicContact CG1-CE1 3.88Å; L253-F258 HydrophobicContact CB-CD2 4.33Å; L253-F258 HydrophobicContact CB-CE1 4.23Å; L253-F258 HydrophobicContact CB-CE2 3.83Å; L253-F258 HydrophobicContact CB-CZ 3.77Å; L253-F258 HydrophobicContact CD1-CD1 4.46Å; L253-F258 HydrophobicContact CD1-CE1 3.95Å; L253-F258 HydrophobicContact CD1-CZ 4.25Å; L253-F258 HydrophobicContact CG-CE1 4.49Å; L253-F258 HydrophobicContact CG-CZ 4.29Å; S254-F258 VanDerWaalsContact O-CD2 3.28Å; S254-F258 WeakPolarHBondContact O-CD2 3.26Å; S254-F258 PolarHBondContact O-N 3.22Å; T255-F258 PolarHBondContact O-N 2.93Å; G256-F258 VanDerWaalsContact C-N 3.32Å; G256-F258 PolarHBondContact O-N 2.89Å; F258-S261 WeakPolarHBondContact O-CB 3.27Å; F258-S261 PolarHBondContact O-N 2.91Å; F258-L262 PolarHBondContact O-N 3.4Å
259L98.5Very high96.2Very high3 Ų326.5 Ų26.52%0.01614%0.139CC..Hα-helixtrans-67.5-36.4177-65-175.8000112.4V120 M143 L164 T166 T255 G256 S261 L262 A263V120-L259 HydrophobicContact CG1-CB 3.72Å; V120-L259 HydrophobicContact CG1-CD1 4.48Å; M143-L259 HydrophobicContact CB-CD1 4.1Å; M143-L259 HydrophobicContact SD-CB 4.42Å; L164-L259 HydrophobicContact CD2-CD1 4.47Å; L164-L259 HydrophobicContact CD2-CD2 3.7Å; T166-L259 HydrophobicContact CG2-CD1 3.67Å; T166-L259 HydrophobicContact CG2-CD2 3.72Å; T166-L259 HydrophobicContact CG2-CG 3.99Å; T255-L259 PolarHBondContact O-N 3.47Å; T255-L259 VanDerWaalsContact O-N 3.1Å; G256-L259 PolarHBondContact O-N 2.87Å; G256-L259 VanDerWaalsContact O-N 3.15Å; L259-S261 VanDerWaalsContact C-N 3.29Å; L259-S261 PolarHBondContact O-N 2.92Å; L259-L262 PolarHBondContact O-N 3.18Å; L259-A263 WeakPolarHBondContact O-CB 3.4Å; L259-A263 PolarHBondContact O-N 3.29Å
260V98.7Very high96.4Very high0 Ų021.6 Ų21.60%012%0.116CC..Hα-helixtrans-61.6-41.1172.2173.20000110.9V120 G256 L257 L262 A263 L264 V272 F275 L311 L320V120-V260 HydrophobicContact CB-CG2 4.38Å; V120-V260 HydrophobicContact CG1-CG2 4.13Å; G256-V260 WeakPolarHBondContact O-CG2 3.09Å; G256-V260 PolarHBondContact O-N 2.81Å; L257-V260 HydrophobicContact CD1-CB 4.49Å; L257-V260 PolarHBondContact O-N 3.39Å; V260-L262 PolarHBondContact O-N 2.83Å; V260-A263 PolarHBondContact O-N 3.27Å; V260-L264 HydrophobicContact CG1-CD1 3.87Å; V260-L264 HydrophobicContact CG1-CG 4.18Å; V260-L264 WeakPolarHBondContact O-CB 3.5Å; V260-L264 WeakPolarHBondContact O-CG 3.46Å; V260-L264 PolarHBondContact O-N 3.08Å; V260-V272 HydrophobicContact CG2-CG1 3.74Å; V260-F275 HydrophobicContact CG2-CE1 3.83Å; V260-F275 HydrophobicContact CG2-CE2 4.36Å; V260-F275 HydrophobicContact CG2-CZ 3.61Å; V260-L311 HydrophobicContact CB-CD2 4.38Å; V260-L311 HydrophobicContact CG1-CD2 3.74Å; V260-L311 HydrophobicContact CG2-CD2 4.24Å; V260-L320 HydrophobicContact CG1-CD2 4.1Å
261S98.3Very high96.8Very high0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-64.2-40.4177.4-53.10000111.9L63 V239 W243 L257 F258 L259 G265L63-S261 WeakPolarHBondContact CD1-O 3.3Å; V239-S261 VanDerWaalsContact CG1-OG 3.27Å; V239-S261 WeakPolarHBondContact CG1-OG 3.48Å; W243-S261 PolarHBondContact NE1-OG 2.93Å; L257-S261 WeakPolarHBondContact O-CB 3.27Å; L257-S261 PolarHBondContact O-N 3.25Å; L257-S261 PolarHBondContact O-OG 3Å; F258-S261 WeakPolarHBondContact O-CB 3.27Å; F258-S261 PolarHBondContact O-N 2.91Å; L259-S261 VanDerWaalsContact C-N 3.29Å; L259-S261 PolarHBondContact O-N 2.92Å; S261-G265 PolarHBondContact O-N 2.95Å
262L97.9Very high97.3Very high3 Ų314.3 Ų14.32%0.0168%0.077CC..Hα-helixtrans-61-48.6171.417560.8000111.2P69 F73 L112 M143 L164 F258 L259 V260 G265 M266P69-L262 HydrophobicContact CB-CD1 3.99Å; F73-L262 HydrophobicContact CB-CD1 3.75Å; F73-L262 HydrophobicContact CD2-CD1 4.34Å; F73-L262 HydrophobicContact CD2-CD2 3.91Å; F73-L262 HydrophobicContact CE2-CD2 4.44Å; F73-L262 HydrophobicContact CG-CD1 4Å; F73-L262 HydrophobicContact CG-CD2 4.41Å; L112-L262 HydrophobicContact CD1-CD1 4.44Å; L112-L262 HydrophobicContact CD1-CD2 4.21Å; M143-L262 HydrophobicContact CE-CD2 4.23Å; M143-L262 HydrophobicContact CE-CG 4.23Å; M143-L262 HydrophobicContact SD-CD2 4.21Å; M143-L262 HydrophobicContact SD-CG 4.48Å; L164-L262 HydrophobicContact CD1-CD2 4.38Å; F258-L262 PolarHBondContact O-N 3.4Å; L259-L262 PolarHBondContact O-N 3.18Å; V260-L262 PolarHBondContact O-N 2.83Å; L262-G265 PolarHBondContact O-N 3.35Å; L262-M266 HydrophobicContact CD1-CG 3.68Å; L262-M266 HydrophobicContact CG-CG 4.48Å; L262-M266 WeakPolarHBondContact O-CB 3.49Å; L262-M266 VanDerWaalsContact O-CG 3.31Å; L262-M266 WeakPolarHBondContact O-CG 3.44Å; L262-M266 PolarHBondContact O-N 2.88Å
263A98.4Very high97.7Very high0 Ų012.6 Ų12.60%07%0.071CC..Hα-helixtrans-63.1-44.1-178.200000112.3C118 V120 M143 L259 V260 G265 M266 C267 V270C118-A263 HydrophobicContact CB-CB 4.48Å; V120-A263 HydrophobicContact CG2-CB 3.66Å; M143-A263 HydrophobicContact CE-CB 4.13Å; M143-A263 HydrophobicContact SD-CB 4.19Å; L259-A263 WeakPolarHBondContact O-CB 3.4Å; L259-A263 PolarHBondContact O-N 3.29Å; V260-A263 PolarHBondContact O-N 3.27Å; A263-G265 PolarHBondContact O-N 3.07Å; A263-M266 PolarHBondContact O-N 2.89Å; A263-M266 VanDerWaalsContact O-N 3.16Å; A263-C267 WeakPolarHBondContact O-CA 3.3Å; A263-C267 WeakPolarHBondContact O-CB 3.23Å; A263-C267 PolarHBondContact O-N 2.94Å; A263-C267 PolarHBondContact O-SG 2.88Å; A263-V270 HydrophobicContact CB-CG1 3.91Å; A263-V270 HydrophobicContact CB-CG2 3.82Å
264L98.1Very high97.9Very high4 Ų412.2 Ų12.22%0.0217%0.07CC..Hα-helixtrans-60.4-34.1175.5-74.9172.2000112.5Y59 L63 W243 V260 V270 L314 T319 L320Y59-L264 HydrophobicContact CD1-CD1 4.36Å; L63-L264 HydrophobicContact CD1-CB 3.45Å; L63-L264 VanDerWaalsContact CD1-CB 3.45Å; L63-L264 HydrophobicContact CD1-CD1 4.29Å; W243-L264 HydrophobicContact CZ2-CD1 4.49Å; V260-L264 HydrophobicContact CG1-CD1 3.87Å; V260-L264 HydrophobicContact CG1-CG 4.18Å; V260-L264 WeakPolarHBondContact O-CB 3.5Å; V260-L264 WeakPolarHBondContact O-CG 3.46Å; V260-L264 PolarHBondContact O-N 3.08Å; L264-V270 HydrophobicContact CD2-CG2 4.38Å; L264-L314 HydrophobicContact CD1-CD1 4.25Å; L264-T319 HydrophobicContact CD2-CG2 4.4Å; L264-L320 HydrophobicContact CD1-CD2 4.28Å; L264-L320 HydrophobicContact CD2-CB 4.22Å; L264-L320 HydrophobicContact CD2-CD2 4.23Å
265G96.7Very high97.9Very high10 Ų1012.6 Ų12.610%0.1037%0.07CC..Hα-helixtrans-78.2-22.917700000115S261 L262 A263S261-G265 PolarHBondContact O-N 2.95Å; L262-G265 PolarHBondContact O-N 3.35Å; A263-G265 PolarHBondContact O-N 3.07Å
266M96.1Very high97.9Very high12 Ų1211.5 Ų11.56%0.0596%0.062CC..Hα-helixtrans-117.2-19.8-168.8-65.2-63.9-68.600114.4P69 R70 L112 L115 L262 A263P69-M266 HydrophobicContact CB-CG 4.3Å; R70-M266 HydrophobicContact CB-CE 4.46Å; R70-M266 HydrophobicContact CB-SD 3.82Å; R70-M266 HydrophobicContact CG-SD 4.49Å; L112-M266 HydrophobicContact CB-CE 3.87Å; L115-M266 PolarHBondContact N-O 3.06Å; L262-M266 HydrophobicContact CD1-CG 3.68Å; L262-M266 HydrophobicContact CG-CG 4.48Å; L262-M266 WeakPolarHBondContact O-CB 3.49Å; L262-M266 VanDerWaalsContact O-CG 3.31Å; L262-M266 WeakPolarHBondContact O-CG 3.44Å; L262-M266 PolarHBondContact O-N 2.88Å; A263-M266 PolarHBondContact O-N 2.89Å; A263-M266 VanDerWaalsContact O-N 3.16Å
267C97.9Very high97.7Very high1 Ų112.4 Ų12.41%0.0077%0.067CC..EExtended strand (participates in β ladder)trans-112.1146.5-169.7-49.50000112.7R60 L115 C118 A263 V270R60-C267 PolarHBondContact NH2-O 2.92Å; L115-C267 HydrophobicContact CB-CB 4.36Å; L115-C267 CarbonylContact O-C 3.44Å; L115-C267 VanDerWaalsContact O-CA 3.23Å; L115-C267 WeakPolarHBondContact O-CA 3.49Å; C118-C267 HydrophobicContact CB-CB 3.66Å; C118-C267 WeakPolarHBondContact CB-SG 3.43Å; C118-C267 WeakPolarHBondContact SG-CB 3.33Å; C118-C267 CovalentContact SG-SG 2.02Å; C118-C267 PolarHBondContact SG-SG 3.17Å; A263-C267 WeakPolarHBondContact O-CA 3.3Å; A263-C267 WeakPolarHBondContact O-CB 3.23Å; A263-C267 PolarHBondContact O-N 2.94Å; A263-C267 PolarHBondContact O-SG 2.88Å; C267-V270 HydrophobicContact CB-CG2 3.86Å
268D97.3Very high97.5Very high73 Ų7313 Ų1339%0.397%0.069SC..EExtended strand (participates in β ladder)trans-74.6-26.8173.7-67.3-26.4000113.3K51 R60 L115 K116K51-D268 WeakPolarHBondContact CE-O 3.35Å; K51-D268 PolarHBondContact NZ-O 3.27Å; R60-D268 IonicContact NH2-OD1 3.81Å; L115-D268 PolarHBondContact O-N 2.74Å; K116-D268 PolarHBondContact O-N 3.04Å
269E97.9Very high97.2Very high45 Ų4515.3 Ų15.321%0.219%0.089CC..EExtended strand (participates in β ladder)trans-147.3132.6177.4-170.8178.4128.400109.8K116 K117 C118K116-E269 PolarHBondContact O-N 3.37Å; K117-E269 HydrophobicContact CG-CB 4.34Å; C118-E269 PolarHBondContact N-O 3.3Å
270V98.7Very high97Very high5 Ų517.3 Ų17.33%0.0310%0.099CC..EExtended strand (participates in β ladder)trans-122.5122.2-179-178.20000109V120 A263 L264 C267 V272 L320 R321V120-V270 HydrophobicContact CG2-CG1 4.25Å; A263-V270 HydrophobicContact CB-CG1 3.91Å; A263-V270 HydrophobicContact CB-CG2 3.82Å; L264-V270 HydrophobicContact CD2-CG2 4.38Å; C267-V270 HydrophobicContact CB-CG2 3.86Å; V270-V272 HydrophobicContact CG1-CG1 3.99Å; V270-L320 HydrophobicContact CB-CB 4.27Å; V270-R321 PolarHBondContact O-N 3.28Å
271T98.7Very high96.7Very high11 Ų1117.3 Ų17.37%0.06710%0.099CC..EExtended strand (participates in β ladder)trans-111.7131.6165.4-55.20000109.6C118 A119 V120 Y273 R321 K323C118-T271 PolarHBondContact O-N 3Å; A119-T271 WeakPolarHBondContact CA-O 3.18Å; V120-T271 PolarHBondContact N-O 3.36Å; T271-Y273 HydrophobicContact CG2-CD2 4.12Å; T271-Y273 HydrophobicContact CG2-CE1 4.12Å; T271-Y273 HydrophobicContact CG2-CE2 3.42Å; T271-Y273 VanDerWaalsContact CG2-CE2 3.42Å; T271-Y273 VanDerWaalsContact CG2-CZ 3.41Å; T271-Y273 WeakPolarHBondContact CG2-OH 3.31Å; T271-R321 CarbonylContact C-O 3.34Å; T271-R321 VanDerWaalsContact CA-O 3.28Å; T271-R321 WeakPolarHBondContact CA-O 3.25Å; T271-R321 HydrophobicContact CG2-CB 4.09Å; T271-R321 HydrophobicContact CG2-CG 4.15Å; T271-K323 HydrophobicContact CG2-CB 4.07Å
272V98.8Very high96.4Very high0 Ų019.2 Ų19.20%011%0.109CC..EExtended strand (participates in β ladder)trans-110.1136.1177.8-50.90000110.2V120 V260 V270 F275 L320 R321 V322 K323V120-V272 HydrophobicContact CB-CG1 4.2Å; V120-V272 CarbonylContact O-C 3.45Å; V120-V272 WeakPolarHBondContact O-CA 3.27Å; V260-V272 HydrophobicContact CG2-CG1 3.74Å; V270-V272 HydrophobicContact CG1-CG1 3.99Å; V272-F275 HydrophobicContact CB-CD2 3.65Å; V272-F275 HydrophobicContact CB-CE2 3.83Å; V272-F275 HydrophobicContact CB-CG 4.36Å; V272-F275 HydrophobicContact CG1-CE2 4.42Å; V272-F275 HydrophobicContact CG2-CB 4.5Å; V272-F275 HydrophobicContact CG2-CD2 4.08Å; V272-F275 HydrophobicContact CG2-CG 4.36Å; V272-L320 HydrophobicContact CG1-CD1 4.22Å; V272-L320 HydrophobicContact CG2-CD1 3.94Å; V272-R321 PolarHBondContact N-O 2.87Å; V272-V322 HydrophobicContact CG2-CB 4.01Å; V272-V322 HydrophobicContact CG2-CG1 4.1Å; V272-V322 HydrophobicContact CG2-CG2 3.63Å; V272-K323 PolarHBondContact O-N 3.32Å
273Y98.7Very high96.1Very high9 Ų924.6 Ų24.64%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-127142.8-176.5-60-96.3000109.7A119 V120 G122 C132 D135 I136 T271 F275 K323A119-Y273 HydrophobicContact CB-CD2 4.23Å; A119-Y273 HydrophobicContact CB-CE2 3.83Å; V120-Y273 PolarHBondContact O-N 3.17Å; G122-Y273 PolarHBondContact N-O 3.46Å; C132-Y273 HydrophobicContact CB-CD1 4.22Å; C132-Y273 HydrophobicContact CB-CE1 4.39Å; D135-Y273 WeakPolarHBondContact OD2-CE1 3.17Å; D135-Y273 PolarHBondContact OD2-OH 3.46Å; I136-Y273 HydrophobicContact CD1-CD1 4.16Å; I136-Y273 HydrophobicContact CD1-CD2 4.48Å; I136-Y273 HydrophobicContact CD1-CG 4.07Å; I136-Y273 HydrophobicContact CG1-CD1 3.8Å; I136-Y273 HydrophobicContact CG1-CD2 3.77Å; I136-Y273 HydrophobicContact CG1-CE1 3.87Å; I136-Y273 HydrophobicContact CG1-CE2 3.84Å; I136-Y273 HydrophobicContact CG1-CG 3.75Å; T271-Y273 HydrophobicContact CG2-CD2 4.12Å; T271-Y273 HydrophobicContact CG2-CE1 4.12Å; T271-Y273 HydrophobicContact CG2-CE2 3.42Å; T271-Y273 VanDerWaalsContact CG2-CE2 3.42Å; T271-Y273 VanDerWaalsContact CG2-CZ 3.41Å; T271-Y273 WeakPolarHBondContact CG2-OH 3.31Å; Y273-F275 VanDerWaalsContact O-CD2 3.27Å; Y273-F275 WeakPolarHBondContact O-CD2 3.3Å; Y273-F275 PolarHBondContact O-N 3.31Å; Y273-K323 HydrophobicContact CD1-CB 3.73Å; Y273-K323 HydrophobicContact CD1-CG 3.95Å; Y273-K323 HydrophobicContact CE1-CB 3.69Å; Y273-K323 HydrophobicContact CE1-CG 3.73Å
274G97.9Very high95.7Very high5 Ų526.8 Ų26.85%0.05216%0.161CC..SBendtrans69.317.6176.800000115.1G124 W276G124-G274 VanDerWaalsContact CA-O 3.3Å; G124-G274 WeakPolarHBondContact CA-O 2.91Å; G124-G274 PolarHBondContact N-O 3.37Å; G274-W276 PolarHBondContact O-N 2.86Å
275F97.6Very high95.5Very high22 Ų2232.1 Ų32.110%0.09619%0.185CC..  trans-87.684169.8-75.7-102.2000108.4V120 V260 V272 Y273 F308 L311V120-F275 HydrophobicContact CB-CE2 4.3Å; V120-F275 HydrophobicContact CG1-CE2 3.92Å; V120-F275 HydrophobicContact CG1-CZ 3.78Å; V260-F275 HydrophobicContact CG2-CE1 3.83Å; V260-F275 HydrophobicContact CG2-CE2 4.36Å; V260-F275 HydrophobicContact CG2-CZ 3.61Å; V272-F275 HydrophobicContact CB-CD2 3.65Å; V272-F275 HydrophobicContact CB-CE2 3.83Å; V272-F275 HydrophobicContact CB-CG 4.36Å; V272-F275 HydrophobicContact CG1-CE2 4.42Å; V272-F275 HydrophobicContact CG2-CB 4.5Å; V272-F275 HydrophobicContact CG2-CD2 4.08Å; V272-F275 HydrophobicContact CG2-CG 4.36Å; Y273-F275 VanDerWaalsContact O-CD2 3.27Å; Y273-F275 WeakPolarHBondContact O-CD2 3.3Å; Y273-F275 PolarHBondContact O-N 3.31Å; F275-F308 WeakPolarHBondContact O-CD2 3.22Å; F275-F308 WeakPolarHBondContact O-CE2 3.48Å; F275-L311 HydrophobicContact CB-CD1 3.94Å; F275-L311 HydrophobicContact CD1-CD1 3.28Å; F275-L311 HydrophobicContact CE1-CD1 3.95Å; F275-L311 HydrophobicContact CG-CD1 3.79Å
276W96.1Very high95.4Very high9 Ų936.9 Ų36.93%0.03421%0.214CC..  trans-147.496.6-179.8-173.7-91.3000109.3I38 V39 V42 I126 G274 F278 I280 L282 F308 V324I38-W276 HydrophobicContact CG2-CH2 3.89Å; I38-W276 HydrophobicContact CG2-CZ3 4.02Å; V39-W276 HydrophobicContact CG2-CH2 3.75Å; V39-W276 HydrophobicContact CG2-CZ2 3.56Å; V42-W276 HydrophobicContact CG2-CZ3 4.11Å; I126-W276 HydrophobicContact CB-CB 3.77Å; I126-W276 HydrophobicContact CB-CG 3.9Å; I126-W276 HydrophobicContact CD1-CG 4.5Å; I126-W276 HydrophobicContact CG1-CB 4.35Å; I126-W276 HydrophobicContact CG1-CD2 4.43Å; I126-W276 HydrophobicContact CG1-CG 4.15Å; I126-W276 HydrophobicContact CG2-CB 3.49Å; I126-W276 VanDerWaalsContact CG2-CB 3.49Å; I126-W276 HydrophobicContact CG2-CG 4.16Å; G274-W276 PolarHBondContact O-N 2.86Å; W276-F278 AromaticContact CD2-CD2 3.77Å; W276-F278 HydrophobicContact CD2-CD2 3.77Å; W276-F278 AromaticContact CE2-CD2 3.63Å; W276-F278 HydrophobicContact CE3-CD2 4.03Å; W276-F278 HydrophobicContact CE3-CE2 4.39Å; W276-F278 HydrophobicContact CG-CD2 4.27Å; W276-F278 HydrophobicContact CH2-CD2 4.07Å; W276-F278 HydrophobicContact CZ2-CB 4.25Å; W276-F278 AromaticContact CZ2-CD2 3.8Å; W276-F278 HydrophobicContact CZ2-CD2 3.8Å; W276-F278 HydrophobicContact CZ2-CG 4.42Å; W276-F278 HydrophobicContact CZ3-CD2 4.17Å; W276-F278 HydrophobicContact CZ3-CE2 4.42Å; W276-F278 PolarHBondContact O-N 3.36Å; W276-I280 WeakPolarHBondContact CZ2-O 3.31Å; W276-I280 PolarHBondContact NE1-O 2.8Å; W276-L282 HydrophobicContact CH2-CD2 3.81Å; W276-L282 HydrophobicContact CZ2-CD2 4.3Å; W276-L282 HydrophobicContact CZ3-CD2 4.24Å; W276-F308 AromaticContact CE3-CE2 3.87Å; W276-F308 HydrophobicContact CE3-CE2 3.87Å; W276-F308 AromaticContact CE3-CZ 3.91Å; W276-F308 HydrophobicContact CE3-CZ 3.91Å; W276-F308 HydrophobicContact CZ3-CE1 4.49Å; W276-F308 HydrophobicContact CZ3-CE2 4.26Å; W276-F308 AromaticContact CZ3-CZ 3.81Å; W276-F308 HydrophobicContact CZ3-CZ 3.81Å; W276-V324 HydrophobicContact CD2-CG1 4.47Å; W276-V324 HydrophobicContact CE3-CG1 3.82Å; W276-V324 HydrophobicContact CE3-CG2 4.48Å; W276-V324 HydrophobicContact CZ3-CG1 4.05Å
277P94.1Very high95.3Very high27 Ų2738.3 Ų38.318%0.17522%0.222CC..  trans-86.16.7-173.936.7-38.7000113.6M304 P305 F308P277-M304 HydrophobicContact CB-CB 3.52Å; P277-M304 HydrophobicContact CG-CB 4.28Å; P277-P305 HydrophobicContact CG-CG 4.45Å; P277-F308 HydrophobicContact CG-CB 3.8Å; P277-F308 HydrophobicContact CG-CG 4.39Å
278F93.1Very high95.2Very high11 Ų1141 Ų415%0.04824%0.241CC..  trans-94.7154.7-175.3-48.2-72.4000111.3D35 I38 W276 I280 P305 F308D35-F278 HydrophobicContact CB-CB 4.26Å; D35-F278 HydrophobicContact CB-CD1 4.32Å; D35-F278 WeakPolarHBondContact OD1-CD1 3.11Å; I38-F278 HydrophobicContact CB-CE2 4.19Å; I38-F278 HydrophobicContact CB-CZ 4.15Å; I38-F278 HydrophobicContact CD1-CZ 4.42Å; I38-F278 HydrophobicContact CG1-CE1 4.12Å; I38-F278 HydrophobicContact CG1-CE2 4.26Å; I38-F278 HydrophobicContact CG1-CZ 3.73Å; I38-F278 HydrophobicContact CG2-CD2 4.12Å; I38-F278 HydrophobicContact CG2-CE2 3.52Å; I38-F278 HydrophobicContact CG2-CZ 3.89Å; W276-F278 AromaticContact CD2-CD2 3.77Å; W276-F278 HydrophobicContact CD2-CD2 3.77Å; W276-F278 AromaticContact CE2-CD2 3.63Å; W276-F278 HydrophobicContact CE3-CD2 4.03Å; W276-F278 HydrophobicContact CE3-CE2 4.39Å; W276-F278 HydrophobicContact CG-CD2 4.27Å; W276-F278 HydrophobicContact CH2-CD2 4.07Å; W276-F278 HydrophobicContact CZ2-CB 4.25Å; W276-F278 AromaticContact CZ2-CD2 3.8Å; W276-F278 HydrophobicContact CZ2-CD2 3.8Å; W276-F278 HydrophobicContact CZ2-CG 4.42Å; W276-F278 HydrophobicContact CZ3-CD2 4.17Å; W276-F278 HydrophobicContact CZ3-CE2 4.42Å; W276-F278 PolarHBondContact O-N 3.36Å; F278-I280 VanDerWaalsContact C-N 3.31Å; F278-P305 HydrophobicContact CE1-CB 4.13Å; F278-F308 HydrophobicContact CE2-CB 4.39Å; F278-F308 AromaticContact CE2-CD1 3.5Å; F278-F308 HydrophobicContact CE2-CD1 3.5Å; F278-F308 HydrophobicContact CE2-CD2 4.33Å; F278-F308 AromaticContact CE2-CE1 3.81Å; F278-F308 HydrophobicContact CE2-CE1 3.81Å; F278-F308 AromaticContact CE2-CG 3.79Å; F278-F308 HydrophobicContact CE2-CG 3.79Å; F278-F308 HydrophobicContact CE2-CZ 4.33Å; F278-F308 HydrophobicContact CZ-CB 4.38Å; F278-F308 AromaticContact CZ-CD1 3.72Å; F278-F308 HydrophobicContact CZ-CD1 3.72Å; F278-F308 HydrophobicContact CZ-CE1 4.33Å; F278-F308 HydrophobicContact CZ-CG 4.14Å
279S91.5Very high95.1Very high72 Ų7239.2 Ų39.250%0.50323%0.23SC..SBendtrans-86.2-4.9-175.760.30000114.1D35 P286 I287D35-S279 PolarHBondContact OD2-N 3.42Å; D35-S279 PolarHBondContact OD2-OG 3.28Å; S279-P286 WeakPolarHBondContact O-CA 3.25Å; S279-I287 PolarHBondContact O-N 3.34Å
280I93.5Very high95.1Very high44 Ų4438.7 Ų38.723%0.22623%0.227CC..BIsolated β-bridgetrans-120.7135.7-176.2-57176.8000108.2D35 W276 F278 G284 Q285D35-I280 HydrophobicContact CB-CD1 4.39Å; W276-I280 WeakPolarHBondContact CZ2-O 3.31Å; W276-I280 PolarHBondContact NE1-O 2.8Å; F278-I280 VanDerWaalsContact C-N 3.31Å; I280-G284 VanDerWaalsContact CG2-C 3.41Å; I280-G284 VanDerWaalsContact CG2-CA 3.5Å; I280-G284 WeakPolarHBondContact CG2-O 3.36Å; I280-Q285 CarbonylContact C-O 3.59Å; I280-Q285 WeakPolarHBondContact CA-O 3.14Å
281G93.6Very high95Very high1 Ų138.9 Ų38.91%0.0123%0.228CC..  trans-79.4177.4174.800000113D283 G284 Q285G281-D283 PolarHBondContact O-N 2.88Å; G281-G284 PolarHBondContact O-N 3.47Å; G281-Q285 PolarHBondContact N-O 3.11Å
282L92.4Very high94.9Very high40 Ų4040.2 Ų40.221%0.20923%0.232CC..THydrogen-bonded Turntrans-65.9-20.5177.6-64.2-175.6000113.4V39 V42 L43 I126 W276 G284 V324V39-L282 HydrophobicContact CG1-CD2 4.47Å; V42-L282 HydrophobicContact CB-CD2 4.38Å; V42-L282 HydrophobicContact CG1-CD2 3.89Å; L43-L282 HydrophobicContact CD2-CB 4.3Å; I126-L282 HydrophobicContact CD1-CG 4.36Å; W276-L282 HydrophobicContact CH2-CD2 3.81Å; W276-L282 HydrophobicContact CZ2-CD2 4.3Å; W276-L282 HydrophobicContact CZ3-CD2 4.24Å; L282-G284 VanDerWaalsContact C-N 3.28Å; L282-V324 HydrophobicContact CD1-CB 4.33Å; L282-V324 HydrophobicContact CD1-CG1 3.79Å; L282-V324 HydrophobicContact CD2-CG1 4.07Å; L282-V324 HydrophobicContact CG-CG1 4.04Å
283D91.1Very high94.7Very high116 Ų11642.2 Ų42.262%0.6224%0.243SC*.THydrogen-bonded Turntrans-86.74.4175.261.7-7.7000113.1G281 Q285G281-D283 PolarHBondContact O-N 2.88Å; D283-Q285 PolarHBondContact O-N 3.26Å; D283-Q285 WeakPolarHBondContact OD1-CB 3.48Å; D283-Q285 PolarHBondContact OD1-N 3.3Å
284G90.6Very high94.5Very high46 Ų4646.7 Ų46.747%0.47427%0.267SS..SBendtrans75.23-176.200000114.3I280 G281 L282I280-G284 VanDerWaalsContact CG2-C 3.41Å; I280-G284 VanDerWaalsContact CG2-CA 3.5Å; I280-G284 WeakPolarHBondContact CG2-O 3.36Å; G281-G284 PolarHBondContact O-N 3.47Å; L282-G284 VanDerWaalsContact C-N 3.28Å
285Q93Very high94.2Very high115 Ų11551.8 Ų51.854%0.53729%0.292SS..  trans-86.8150.5179.4-62.1-57.7-45.300111.9I280 G281 D283I280-Q285 CarbonylContact C-O 3.59Å; I280-Q285 WeakPolarHBondContact CA-O 3.14Å; G281-Q285 PolarHBondContact N-O 3.11Å; D283-Q285 PolarHBondContact O-N 3.26Å; D283-Q285 WeakPolarHBondContact OD1-CB 3.48Å; D283-Q285 PolarHBondContact OD1-N 3.3Å
286P94.8Very high93.7Very high110 Ų11056.4 Ų56.471%0.71432%0.317SS*.BIsolated β-bridgetrans-60.5138.2173-21.733.1000111.7S279S279-P286 WeakPolarHBondContact O-CA 3.25Å
287I95Very high93Very high42 Ų4258.4 Ų58.422%0.21533%0.331CS..  trans-124.7153.7175.159.5171000110.8I126 S279I126-I287 HydrophobicContact CB-CD1 4.33Å; I126-I287 HydrophobicContact CD1-CD1 4.25Å; S279-I287 PolarHBondContact O-N 3.34Å
288S95.8Very high92.3Very high58 Ų5859.3 Ų59.341%0.40635%0.346SS..  trans-70.5156.1174.3-63.80000111.3G125 H290 N294G125-S288 VanDerWaalsContact CA-O 3.26Å; G125-S288 WeakPolarHBondContact CA-O 3.38Å; G125-S288 PolarHBondContact N-O 2.95Å; S288-H290 VanDerWaalsContact CB-O 3.31Å; S288-H290 WeakPolarHBondContact CB-O 3.38Å; S288-N294 WeakPolarHBondContact CA-OD1 3.1Å
289H94.9Very high91.5Very high35 Ų3567.3 Ų67.316%0.16238%0.38CS..SBendtrans-61.5-45.7176.1-175.160.3000111.9G124 G125 N294 I295 L296 P297G124-H289 WeakPolarHBondContact CA-O 3.44Å; G125-H289 PolarHBondContact N-O 3.11Å; G125-H289 VanDerWaalsContact N-O 3.12Å; H289-N294 PolarHBondContact N-OD1 3.13Å; H289-I295 PolarHBondContact CD2-O 2.95Å; H289-I295 VanDerWaalsContact CD2-O 3.22Å; H289-L296 HydrophobicContact CB-CD2 3.71Å; H289-P297 WeakPolarHBondContact NE2-CD 3.46Å
290H97.3Very high90.7Very high34 Ų3475 Ų7516%0.15740%0.398CS..BIsolated β-bridgetrans-107.8160.8172.8-58.9127.1000111.9N123 S288 Y292 D293 I295N123-H290 VanDerWaalsContact CB-CD2 3.46Å; N123-H290 WeakPolarHBondContact CB-CD2 3.03Å; N123-H290 CarbonylContact O-C 3.49Å; N123-H290 WeakPolarHBondContact O-CA 3.3Å; S288-H290 VanDerWaalsContact CB-O 3.31Å; S288-H290 WeakPolarHBondContact CB-O 3.38Å; H290-Y292 HydrophobicContact CB-CD1 4.13Å; H290-Y292 HydrophobicContact CB-CD2 4.2Å; H290-Y292 HydrophobicContact CB-CE1 3.94Å; H290-Y292 HydrophobicContact CB-CE2 3.95Å; H290-Y292 HydrophobicContact CB-CG 4.29Å; H290-Y292 AromaticContact CG-CZ 3.8Å; H290-Y292 PolarHBondContact O-N 3.08Å; H290-D293 CarbonylContact C-O 3.4Å; H290-D293 WeakPolarHBondContact CA-O 3.41Å; H290-D293 WeakPolarHBondContact CB-O 3.43Å; H290-D293 IonicContact CE1-OD1 3.53Å; H290-D293 IonicContact CG-OD1 2.74Å; H290-D293 PolarHBondContact N-O 3.22Å; H290-D293 IonicContact ND1-OD1 3.65Å; H290-D293 PolarHBondContact ND1-OD1 3.4Å; H290-I295 PolarHBondContact CE1-O 2.95Å; H290-I295 PolarHBondContact ND1-O 3.32Å
291Y97.4Very high90.2Very high9 Ų977.1 Ų77.14%0.03541%0.406CS..SBendtrans-71.6-9.7173.770.4-102.8000113.8N123 L127 P148 P149 Y154 V158N123-Y291 HydrophobicContact CB-CE1 4.47Å; N123-Y291 WeakPolarHBondContact O-CD1 3.41Å; N123-Y291 PolarHBondContact O-N 3.31Å; L127-Y291 HydrophobicContact CB-CD1 4.48Å; L127-Y291 HydrophobicContact CD1-CD1 3.98Å; L127-Y291 HydrophobicContact CD1-CE1 4.42Å; P148-Y291 HydrophobicContact CB-CE1 4.35Å; P148-Y291 WeakPolarHBondContact CB-OH 3.46Å; P149-Y291 HydrophobicContact CG-CE2 4.48Å; P149-Y291 PolarHBondContact O-OH 3.3Å; Y154-Y291 AromaticContact CD1-CD2 3.82Å; Y154-Y291 HydrophobicContact CD1-CD2 3.82Å; Y154-Y291 HydrophobicContact CD1-CE2 4.2Å; Y154-Y291 HydrophobicContact CD2-CD2 4.28Å; Y154-Y291 AromaticContact CD2-CE2 3.88Å; Y154-Y291 HydrophobicContact CD2-CE2 3.88Å; Y154-Y291 HydrophobicContact CE1-CD2 4.32Å; Y154-Y291 WeakPolarHBondContact CE1-O 3.32Å; Y154-Y291 AromaticContact CG-CD2 3.82Å; Y154-Y291 HydrophobicContact CG-CD2 3.82Å; Y154-Y291 AromaticContact CG-CE2 3.7Å; Y154-Y291 HydrophobicContact CG-CE2 3.7Å; V158-Y291 HydrophobicContact CG1-CD1 4.11Å; V158-Y291 HydrophobicContact CG1-CD2 4.15Å; V158-Y291 HydrophobicContact CG1-CE1 3.97Å; V158-Y291 HydrophobicContact CG1-CE2 4Å; V158-Y291 HydrophobicContact CG1-CG 4.2Å; V158-Y291 HydrophobicContact CG2-CE2 4.21Å
292Y96.7Very high90Very high39 Ų3980.2 Ų80.215%0.15342%0.42CS..SBendtrans-125.6-13.1-174.854.1-98000114.5N123 P148 P149 H290N123-Y292 HydrophobicContact CB-CE1 3.95Å; N123-Y292 PolarHBondContact ND2-OH 2.86Å; P148-Y292 HydrophobicContact CB-CE1 3.8Å; P149-Y292 VanDerWaalsContact CD-CD1 3.43Å; P149-Y292 VanDerWaalsContact CG-CB 3.43Å; P149-Y292 HydrophobicContact CG-CD1 3.69Å; P149-Y292 HydrophobicContact CG-CD2 3.93Å; P149-Y292 HydrophobicContact CG-CE1 4.4Å; P149-Y292 HydrophobicContact CG-CG 3.39Å; H290-Y292 HydrophobicContact CB-CD1 4.13Å; H290-Y292 HydrophobicContact CB-CD2 4.2Å; H290-Y292 HydrophobicContact CB-CE1 3.94Å; H290-Y292 HydrophobicContact CB-CE2 3.95Å; H290-Y292 HydrophobicContact CB-CG 4.29Å; H290-Y292 AromaticContact CG-CZ 3.8Å; H290-Y292 PolarHBondContact O-N 3.08Å
293D94.5Very high90Very high43 Ų4379.1 Ų79.123%0.2342%0.417CS..  trans-159.6-177.917569.839.8000110.6H290 I295H290-D293 CarbonylContact C-O 3.4Å; H290-D293 WeakPolarHBondContact CA-O 3.41Å; H290-D293 WeakPolarHBondContact CB-O 3.43Å; H290-D293 IonicContact CE1-OD1 3.53Å; H290-D293 IonicContact CG-OD1 2.74Å; H290-D293 PolarHBondContact N-O 3.22Å; H290-D293 IonicContact ND1-OD1 3.65Å; H290-D293 PolarHBondContact ND1-OD1 3.4Å; D293-I295 HydrophobicContact CB-CG1 4.37Å; D293-I295 WeakPolarHBondContact OD1-CB 3.41Å; D293-I295 PolarHBondContact OD1-N 3.03Å
294N94.4Very high90.1Very high103 Ų10375.7 Ų75.755%0.55140%0.398SS*.  trans-120.934.7175.1-160.631.8000112.6S288 H289 L296S288-N294 WeakPolarHBondContact CA-OD1 3.1Å; H289-N294 PolarHBondContact N-OD1 3.13Å; N294-L296 PolarHBondContact O-N 3.26Å
295I89.9Confident90.3Very high111 Ų11175.7 Ų75.757%0.56939%0.389SS*.  trans-79.5114.2178.9-61.2177.3000109.3H289 H290 D293H289-I295 PolarHBondContact CD2-O 2.95Å; H289-I295 VanDerWaalsContact CD2-O 3.22Å; H290-I295 PolarHBondContact CE1-O 2.95Å; H290-I295 PolarHBondContact ND1-O 3.32Å; D293-I295 HydrophobicContact CB-CG1 4.37Å; D293-I295 WeakPolarHBondContact OD1-CB 3.41Å; D293-I295 PolarHBondContact OD1-N 3.03Å
296L87.4Confident90.4Very high120 Ų12071.2 Ų71.263%0.62837%0.368SS*.PPolyproline II helixtrans-76.3148.8177.4-58.9177000111.7H289 N294H289-L296 HydrophobicContact CB-CD2 3.71Å; N294-L296 PolarHBondContact O-N 3.26Å
297P83.1Confident90.5Very high50 Ų5066.2 Ų66.233%0.32534%0.335SS..PPolyproline II helixtrans-65.9164.9171.629.8-35.1000110.6H289 K299 M304H289-P297 WeakPolarHBondContact NE2-CD 3.46Å; P297-K299 PolarHBondContact O-N 2.64Å; P297-M304 HydrophobicContact CG-CE 3.64Å
298G78.3Confident90.6Very high47 Ų4764.4 Ų64.449%0.48533%0.326SS..PPolyproline II helixtrans-54.4133.4172.200000110.7W300G298-W300 PolarHBondContact O-N 3.38Å
299K76.4Confident90.5Very high178 Ų17862.7 Ų62.777%0.77431%0.313SS*.THydrogen-bonded Turntrans-56.1141.1178.4-63.4-174.3178.7-177.60109.9P297 F301P297-K299 PolarHBondContact O-N 2.64Å; K299-F301 VanDerWaalsContact C-N 3.26Å; K299-F301 PolarHBondContact O-N 3.2Å
300W75.3Confident90.6Very high233 Ų23362.3 Ų62.388%0.88331%0.311SS*.THydrogen-bonded Turntrans70.3-0.6172.9-42.3106.3000117.6G298G298-W300 PolarHBondContact O-N 3.38Å
301F81.5Confident90.6Very high90 Ų9060.8 Ų60.840%0.39530%0.304SS..SBendtrans-72.4-49.7177.8-84.9-91.7000112.6M251 R252 K299M251-F301 PolarHBondContact N-O 3.38Å; R252-F301 PolarHBondContact N-O 2.99Å; K299-F301 VanDerWaalsContact C-N 3.26Å; K299-F301 PolarHBondContact O-N 3.2Å
302H89.6Confident90.5Very high66 Ų6660.9 Ų60.931%0.30630%0.304SS..  trans-115145.2-171.4-54.2-54.2000111R252 L253 M304R252-H302 PolarHBondContact O-ND1 2.85Å; L253-H302 PolarHBondContact O-CE1 3.26Å; L253-H302 PolarHBondContact O-ND1 2.93Å; H302-M304 HydrophobicContact CB-CG 3.76Å
303A92.5Very high90.4Very high16 Ų1663.3 Ų63.313%0.13232%0.317CS..  trans-103.855.6170.200000109.7A250 P305 E306 E307A250-A303 HydrophobicContact CB-CB 3.77Å; A303-P305 VanDerWaalsContact C-CD 3.45Å; A303-P305 VanDerWaalsContact C-N 3.31Å; A303-E306 HydrophobicContact CB-CB 4.14Å; A303-E306 HydrophobicContact CB-CG 4.19Å; A303-E306 WeakPolarHBondContact O-CA 3.26Å; A303-E306 WeakPolarHBondContact O-CB 3.26Å; A303-E306 PolarHBondContact O-N 3.23Å; A303-E307 PolarHBondContact O-N 2.89Å
304M94.1Very high90.6Very high45 Ų4561.4 Ų61.422%0.22231%0.307CS..Hα-helixtrans-56.4-34.6-171.1-61.3-178.6-69.900114.6P277 P297 H302 E306 E307 F308P277-M304 HydrophobicContact CB-CB 3.52Å; P277-M304 HydrophobicContact CG-CB 4.28Å; P297-M304 HydrophobicContact CG-CE 3.64Å; H302-M304 HydrophobicContact CB-CG 3.76Å; M304-E306 VanDerWaalsContact C-N 3.34Å; M304-E306 PolarHBondContact O-N 3.48Å; M304-E307 WeakPolarHBondContact O-CB 3.43Å; M304-E307 PolarHBondContact O-N 3.35Å; M304-F308 PolarHBondContact O-N 3.26Å
305P93.8Very high90.7Very high45 Ų4557.2 Ų57.229%0.29228%0.284SS..Hα-helixtrans-58.6-42170.6-27.737.5000113.5L32 P277 F278 A303 F308 V309L32-P305 HydrophobicContact CD1-CB 4.36Å; L32-P305 HydrophobicContact CD2-CB 4.45Å; P277-P305 HydrophobicContact CG-CG 4.45Å; F278-P305 HydrophobicContact CE1-CB 4.13Å; A303-P305 VanDerWaalsContact C-CD 3.45Å; A303-P305 VanDerWaalsContact C-N 3.31Å; P305-F308 PolarHBondContact O-N 3.3Å; P305-V309 WeakPolarHBondContact O-CG2 3.48Å; P305-V309 PolarHBondContact O-N 3.3Å
306E95.1Very high90.9Very high22 Ų2256.3 Ų56.310%0.10328%0.276CS..Hα-helixtrans-66.1-40.4175.2-63.1-179.4-163.300111.2L32 G247 V248 H249 A303 M304 F308 V309 Q310L32-E306 HydrophobicContact CD1-CG 3.87Å; L32-E306 HydrophobicContact CD2-CB 4.49Å; L32-E306 HydrophobicContact CD2-CG 3.61Å; L32-E306 HydrophobicContact CG-CG 4.11Å; G247-E306 VanDerWaalsContact O-OE2 3.09Å; V248-E306 WeakPolarHBondContact CA-OE2 3.46Å; H249-E306 WeakPolarHBondContact CB-OE2 3.25Å; H249-E306 IonicContact CG-OE2 2.72Å; H249-E306 PolarHBondContact N-OE2 3.26Å; H249-E306 IonicContact ND1-OE1 3.89Å; H249-E306 IonicContact ND1-OE2 3.63Å; H249-E306 PolarHBondContact ND1-OE2 3.34Å; A303-E306 HydrophobicContact CB-CB 4.14Å; A303-E306 HydrophobicContact CB-CG 4.19Å; A303-E306 WeakPolarHBondContact O-CA 3.26Å; A303-E306 WeakPolarHBondContact O-CB 3.26Å; A303-E306 PolarHBondContact O-N 3.23Å; M304-E306 VanDerWaalsContact C-N 3.34Å; M304-E306 PolarHBondContact O-N 3.48Å; E306-F308 VanDerWaalsContact C-N 3.33Å; E306-F308 PolarHBondContact O-N 2.9Å; E306-V309 PolarHBondContact O-N 3.45Å; E306-Q310 WeakPolarHBondContact O-CG 3.46Å; E306-Q310 PolarHBondContact O-N 3.35Å; E306-Q310 VanDerWaalsContact O-N 3.13Å
307E97.2Very high91.3Very high5 Ų553 Ų532%0.02326%0.263CS..Hα-helixtrans-58.8-45.4173.7-58-175.3-174.600111.1V248 L253 S254 L257 A303 M304 V309 Q310 L311V248-E307 HydrophobicContact CG1-CG 3.81Å; L253-E307 WeakPolarHBondContact CA-OE1 3.34Å; S254-E307 WeakPolarHBondContact CB-OE2 3.35Å; S254-E307 PolarHBondContact N-OE1 3.19Å; S254-E307 PolarHBondContact OG-OE2 2.65Å; L257-E307 HydrophobicContact CD2-CB 4.03Å; L257-E307 HydrophobicContact CD2-CG 3.66Å; A303-E307 PolarHBondContact O-N 2.89Å; M304-E307 WeakPolarHBondContact O-CB 3.43Å; M304-E307 PolarHBondContact O-N 3.35Å; E307-V309 PolarHBondContact O-N 3.04Å; E307-Q310 WeakPolarHBondContact O-CB 3.26Å; E307-Q310 PolarHBondContact O-N 2.98Å; E307-L311 WeakPolarHBondContact O-CG 3.42Å; E307-L311 PolarHBondContact O-N 3.31Å
308F96.6Very high92Very high4 Ų450.7 Ų50.72%0.01825%0.249CC..Hα-helixtrans-61.3-44177.1178.3-90.2000112I38 V42 F275 W276 P277 F278 M304 P305 E306 Q310 L311 W312 V322I38-F308 HydrophobicContact CG2-CD1 4.2Å; I38-F308 HydrophobicContact CG2-CE1 3.49Å; I38-F308 VanDerWaalsContact CG2-CE1 3.49Å; I38-F308 HydrophobicContact CG2-CZ 4.17Å; V42-F308 HydrophobicContact CG2-CZ 4.29Å; F275-F308 WeakPolarHBondContact O-CD2 3.22Å; F275-F308 WeakPolarHBondContact O-CE2 3.48Å; W276-F308 AromaticContact CE3-CE2 3.87Å; W276-F308 HydrophobicContact CE3-CE2 3.87Å; W276-F308 AromaticContact CE3-CZ 3.91Å; W276-F308 HydrophobicContact CE3-CZ 3.91Å; W276-F308 HydrophobicContact CZ3-CE1 4.49Å; W276-F308 HydrophobicContact CZ3-CE2 4.26Å; W276-F308 AromaticContact CZ3-CZ 3.81Å; W276-F308 HydrophobicContact CZ3-CZ 3.81Å; P277-F308 HydrophobicContact CG-CB 3.8Å; P277-F308 HydrophobicContact CG-CG 4.39Å; F278-F308 HydrophobicContact CE2-CB 4.39Å; F278-F308 AromaticContact CE2-CD1 3.5Å; F278-F308 HydrophobicContact CE2-CD1 3.5Å; F278-F308 HydrophobicContact CE2-CD2 4.33Å; F278-F308 AromaticContact CE2-CE1 3.81Å; F278-F308 HydrophobicContact CE2-CE1 3.81Å; F278-F308 AromaticContact CE2-CG 3.79Å; F278-F308 HydrophobicContact CE2-CG 3.79Å; F278-F308 HydrophobicContact CE2-CZ 4.33Å; F278-F308 HydrophobicContact CZ-CB 4.38Å; F278-F308 AromaticContact CZ-CD1 3.72Å; F278-F308 HydrophobicContact CZ-CD1 3.72Å; F278-F308 HydrophobicContact CZ-CE1 4.33Å; F278-F308 HydrophobicContact CZ-CG 4.14Å; M304-F308 PolarHBondContact O-N 3.26Å; P305-F308 PolarHBondContact O-N 3.3Å; E306-F308 VanDerWaalsContact C-N 3.33Å; E306-F308 PolarHBondContact O-N 2.9Å; F308-Q310 PolarHBondContact O-N 3.08Å; F308-L311 CarbonylContact O-C 3.56Å; F308-L311 WeakPolarHBondContact O-CB 3.41Å; F308-L311 PolarHBondContact O-N 3.32Å; F308-L311 VanDerWaalsContact O-N 3.08Å; F308-W312 HydrophobicContact CD1-CB 4.49Å; F308-W312 HydrophobicContact CE1-CB 4.12Å; F308-W312 HydrophobicContact CE1-CG 4.38Å; F308-W312 HydrophobicContact CZ-CE3 4.29Å; F308-W312 WeakPolarHBondContact O-CB 3.42Å; F308-W312 PolarHBondContact O-N 3.18Å; F308-V322 HydrophobicContact CE2-CG1 4.41Å
309V94.8Very high92.9Very high22 Ų2248.7 Ų48.713%0.13323%0.227CC..Hα-helixtrans-56.3-41.8176.5168.40000110.8L32 I38 P305 E306 E307 W312 H313L32-V309 HydrophobicContact CD2-CG2 4.43Å; I38-V309 HydrophobicContact CD1-CG2 4.38Å; P305-V309 WeakPolarHBondContact O-CG2 3.48Å; P305-V309 PolarHBondContact O-N 3.3Å; E306-V309 PolarHBondContact O-N 3.45Å; E307-V309 PolarHBondContact O-N 3.04Å; V309-W312 PolarHBondContact O-N 3.27Å; V309-H313 PolarHBondContact O-CD2 2.95Å; V309-H313 PolarHBondContact O-N 3.31Å
310Q96.7Very high93.9Very high26 Ų2640.3 Ų40.312%0.12119%0.19CC..Hα-helixtrans-64.8-43.6174.9-64-50.8-51.100112.9W243 R246 V248 E306 E307 F308 W312 H313 L314W243-Q310 HydrophobicContact CE3-CB 4.2Å; W243-Q310 HydrophobicContact CE3-CG 4.27Å; W243-Q310 HydrophobicContact CZ3-CB 3.81Å; W243-Q310 HydrophobicContact CZ3-CG 4.31Å; R246-Q310 PolarHBondContact O-NE2 2.74Å; R246-Q310 PolarHBondContact O-OE1 2.89Å; V248-Q310 HydrophobicContact CG2-CG 3.59Å; E306-Q310 WeakPolarHBondContact O-CG 3.46Å; E306-Q310 PolarHBondContact O-N 3.35Å; E306-Q310 VanDerWaalsContact O-N 3.13Å; E307-Q310 WeakPolarHBondContact O-CB 3.26Å; E307-Q310 PolarHBondContact O-N 2.98Å; F308-Q310 PolarHBondContact O-N 3.08Å; Q310-W312 PolarHBondContact O-N 3.28Å; Q310-H313 PolarHBondContact O-N 3.41Å; Q310-L314 WeakPolarHBondContact O-CG 3.12Å; Q310-L314 PolarHBondContact O-N 2.97Å
311L97.6Very high95Very high2 Ų232.4 Ų32.41%0.0116%0.161CC..Hα-helixtrans-61.2-37.1174.9-63.4178.8000111.6L257 V260 F275 E307 F308 L314 H315 L320 V322L257-L311 HydrophobicContact CD1-CD2 4.02Å; V260-L311 HydrophobicContact CB-CD2 4.38Å; V260-L311 HydrophobicContact CG1-CD2 3.74Å; V260-L311 HydrophobicContact CG2-CD2 4.24Å; F275-L311 HydrophobicContact CB-CD1 3.94Å; F275-L311 HydrophobicContact CD1-CD1 3.28Å; F275-L311 HydrophobicContact CE1-CD1 3.95Å; F275-L311 HydrophobicContact CG-CD1 3.79Å; E307-L311 WeakPolarHBondContact O-CG 3.42Å; E307-L311 PolarHBondContact O-N 3.31Å; F308-L311 CarbonylContact O-C 3.56Å; F308-L311 WeakPolarHBondContact O-CB 3.41Å; F308-L311 PolarHBondContact O-N 3.32Å; F308-L311 VanDerWaalsContact O-N 3.08Å; L311-L314 CarbonylContact O-C 3.53Å; L311-L314 PolarHBondContact O-N 3.46Å; L311-H315 PolarHBondContact O-N 3.06Å; L311-L320 HydrophobicContact CD2-CD2 3.99Å; L311-V322 HydrophobicContact CB-CG2 4.07Å
312W95.5Very high95.7Very high11 Ų1128.5 Ų28.54%0.04214%0.144CC..Hα-helixtrans-69.8-37.9178-167.9-118.1000112.5E41 V42 L45 F308 V309 Q310 L314 H315 K316 V322E41-W312 VanDerWaalsContact CD-NE1 3.26Å; E41-W312 VanDerWaalsContact OE1-CD1 3.27Å; E41-W312 PolarHBondContact OE1-NE1 2.89Å; V42-W312 HydrophobicContact CB-CH2 4.06Å; V42-W312 HydrophobicContact CB-CZ2 4.18Å; V42-W312 HydrophobicContact CG1-CH2 4.02Å; V42-W312 HydrophobicContact CG1-CZ3 4.4Å; V42-W312 HydrophobicContact CG2-CD2 4.23Å; V42-W312 HydrophobicContact CG2-CE3 4.21Å; V42-W312 HydrophobicContact CG2-CH2 3.7Å; V42-W312 HydrophobicContact CG2-CZ2 3.69Å; V42-W312 HydrophobicContact CG2-CZ3 3.96Å; L45-W312 HydrophobicContact CB-CZ2 4.16Å; L45-W312 HydrophobicContact CD2-CH2 3.89Å; L45-W312 HydrophobicContact CD2-CZ2 3.69Å; F308-W312 HydrophobicContact CD1-CB 4.49Å; F308-W312 HydrophobicContact CE1-CB 4.12Å; F308-W312 HydrophobicContact CE1-CG 4.38Å; F308-W312 HydrophobicContact CZ-CE3 4.29Å; F308-W312 WeakPolarHBondContact O-CB 3.42Å; F308-W312 PolarHBondContact O-N 3.18Å; V309-W312 PolarHBondContact O-N 3.27Å; Q310-W312 PolarHBondContact O-N 3.28Å; W312-L314 VanDerWaalsContact C-N 3.29Å; W312-L314 PolarHBondContact O-N 3.26Å; W312-H315 HydrophobicContact CE3-CB 4Å; W312-H315 AromaticContact CE3-CD2 3.79Å; W312-H315 AromaticContact CH2-CD2 3.52Å; W312-H315 AromaticContact CH2-NE2 3.96Å; W312-H315 HydrophobicContact CZ3-CB 4.33Å; W312-H315 AromaticContact CZ3-CD2 3.29Å; W312-H315 WeakPolarHBondContact CZ3-CD2 3.38Å; W312-H315 AromaticContact CZ3-CG 3.89Å; W312-H315 AromaticContact CZ3-NE2 3.9Å; W312-H315 WeakPolarHBondContact O-CB 3.36Å; W312-H315 PolarHBondContact O-N 3.18Å; W312-K316 WeakPolarHBondContact O-CG 3.49Å; W312-K316 PolarHBondContact O-N 3.34Å; W312-V322 HydrophobicContact CE3-CB 4.35Å; W312-V322 HydrophobicContact CZ3-CB 4.43Å
313H95.1Very high96Very high91 Ų9126.4 Ų26.442%0.42113%0.134SC..Hα-helixtrans-60.6-39.5169.1-73.4-58.8000112.3V309 Q310 H315 K316 S317V309-H313 PolarHBondContact O-CD2 2.95Å; V309-H313 PolarHBondContact O-N 3.31Å; Q310-H313 PolarHBondContact O-N 3.41Å; H313-H315 VanDerWaalsContact C-N 3.32Å; H313-K316 PolarHBondContact O-N 3.01Å; H313-S317 WeakPolarHBondContact O-CB 3.37Å; H313-S317 PolarHBondContact O-N 3.08Å; H313-S317 PolarHBondContact O-OG 3.31Å; H313-S317 VanDerWaalsContact O-OG 3.05Å
314L97.3Very high95.9Very high3 Ų326.6 Ų26.62%0.01613%0.134CC..Hα-helixtrans-70.1-30.8176-64.3170.8000112.5Y59 W243 L264 Q310 L311 W312 S317 G318 T319 L320Y59-L314 HydrophobicContact CD1-CD2 4.2Å; Y59-L314 HydrophobicContact CD2-CD2 3.9Å; Y59-L314 HydrophobicContact CE1-CD1 4.08Å; Y59-L314 HydrophobicContact CE1-CD2 3.7Å; Y59-L314 HydrophobicContact CE2-CD2 3.37Å; Y59-L314 HydrophobicContact CG-CD2 4.28Å; W243-L314 HydrophobicContact CH2-CD1 3.74Å; W243-L314 HydrophobicContact CZ3-CD1 4.31Å; L264-L314 HydrophobicContact CD1-CD1 4.25Å; Q310-L314 WeakPolarHBondContact O-CG 3.12Å; Q310-L314 PolarHBondContact O-N 2.97Å; L311-L314 CarbonylContact O-C 3.53Å; L311-L314 PolarHBondContact O-N 3.46Å; W312-L314 VanDerWaalsContact C-N 3.29Å; W312-L314 PolarHBondContact O-N 3.26Å; L314-S317 WeakPolarHBondContact CA-OG 3.36Å; L314-S317 PolarHBondContact O-OG 2.71Å; L314-S317 VanDerWaalsContact O-OG 3.1Å; L314-G318 PolarHBondContact O-N 3.08Å; L314-T319 HydrophobicContact CD2-CG2 3.78Å; L314-T319 PolarHBondContact O-N 3.21Å; L314-L320 HydrophobicContact CB-CD1 4.45Å; L314-L320 HydrophobicContact CB-CD2 3.46Å; L314-L320 VanDerWaalsContact CB-CD2 3.46Å; L314-L320 HydrophobicContact CB-CG 3.52Å; L314-L320 HydrophobicContact CD1-CD2 3.51Å; L314-L320 HydrophobicContact CG-CD2 4.1Å; L314-L320 PolarHBondContact O-N 3.19Å
315H96.9Very high95.5Very high14 Ų1425.5 Ų25.57%0.06513%0.133CC..Hα-helixtrans-61-56.4168.9-175.165.4000112.4W49 L311 W312 H313 S317 G318 L320 V322W49-H315 AromaticContact CD1-CE1 3.33Å; W49-H315 AromaticContact CD1-ND1 3.25Å; W49-H315 VanDerWaalsContact CD1-O 3.28Å; W49-H315 AromaticContact CG-CE1 3.81Å; W49-H315 AromaticContact NE1-ND1 3.77Å; W49-H315 PolarHBondContact NE1-O 3.43Å; L311-H315 PolarHBondContact O-N 3.06Å; W312-H315 HydrophobicContact CE3-CB 4Å; W312-H315 AromaticContact CE3-CD2 3.79Å; W312-H315 AromaticContact CH2-CD2 3.52Å; W312-H315 AromaticContact CH2-NE2 3.96Å; W312-H315 HydrophobicContact CZ3-CB 4.33Å; W312-H315 AromaticContact CZ3-CD2 3.29Å; W312-H315 WeakPolarHBondContact CZ3-CD2 3.38Å; W312-H315 AromaticContact CZ3-CG 3.89Å; W312-H315 AromaticContact CZ3-NE2 3.9Å; W312-H315 WeakPolarHBondContact O-CB 3.36Å; W312-H315 PolarHBondContact O-N 3.18Å; H313-H315 VanDerWaalsContact C-N 3.32Å; H315-S317 PolarHBondContact O-N 2.81Å; H315-G318 PolarHBondContact O-N 3.04Å; H315-L320 WeakPolarHBondContact CA-O 3.16Å; H315-V322 HydrophobicContact CB-CB 4.15Å; H315-V322 HydrophobicContact CB-CG2 3.84Å; H315-V322 PolarHBondContact CE1-O 3.16Å; H315-V322 PolarHBondContact ND1-N 3.43Å
316K94.8Very high95.3Very high92 Ų9226 Ų2640%0.414%0.138SC..Hα-helixtrans-60.1-33.1-178.3-70.5-172.4-65.4-170.20112.8E41 L45 W312 H313 G318E41-K316 IonicContact OE1-NZ 2.68Å; E41-K316 PolarHBondContact OE1-NZ 3.46Å; L45-K316 HydrophobicContact CD1-CD 4.47Å; L45-K316 HydrophobicContact CD1-CG 4.33Å; L45-K316 HydrophobicContact CD2-CG 3.91Å; W312-K316 WeakPolarHBondContact O-CG 3.49Å; W312-K316 PolarHBondContact O-N 3.34Å; H313-K316 PolarHBondContact O-N 3.01Å; K316-G318 VanDerWaalsContact C-N 3.32Å
317S95.9Very high95.2Very high50 Ų5026.1 Ų26.135%0.3514%0.141SC..THydrogen-bonded Turntrans-80.7-6.8177.461.90000114.5N52 H313 L314 H315 T319N52-S317 WeakPolarHBondContact CB-O 3.46Å; N52-S317 PolarHBondContact ND2-O 3.32Å; H313-S317 WeakPolarHBondContact O-CB 3.37Å; H313-S317 PolarHBondContact O-N 3.08Å; H313-S317 PolarHBondContact O-OG 3.31Å; H313-S317 VanDerWaalsContact O-OG 3.05Å; L314-S317 WeakPolarHBondContact CA-OG 3.36Å; L314-S317 PolarHBondContact O-OG 2.71Å; L314-S317 VanDerWaalsContact O-OG 3.1Å; H315-S317 PolarHBondContact O-N 2.81Å; S317-T319 VanDerWaalsContact C-N 3.3Å; S317-T319 PolarHBondContact OG-OG1 3.35Å
318G96.9Very high94.4Very high3 Ų333.7 Ų33.73%0.03117%0.169CC..THydrogen-bonded Turntrans78.69.8-176.200000114.8W49 K50 N52 L314 H315 K316W49-G318 WeakPolarHBondContact CZ2-O 3.24Å; K50-G318 WeakPolarHBondContact O-CA 3.44Å; N52-G318 PolarHBondContact N-O 2.86Å; L314-G318 PolarHBondContact O-N 3.08Å; H315-G318 PolarHBondContact O-N 3.04Å; K316-G318 VanDerWaalsContact C-N 3.32Å
319T97.9Very high92.6Very high5 Ų539.2 Ų39.23%0.03121%0.206CC..SBendtrans-79.8-35.5-175.3-57.50000112.4I56 Y59 L264 L314 S317I56-T319 HydrophobicContact CG1-CG2 4.44Å; I56-T319 WeakPolarHBondContact CG1-O 3.47Å; Y59-T319 HydrophobicContact CD2-CG2 3.87Å; Y59-T319 HydrophobicContact CG-CG2 4.08Å; L264-T319 HydrophobicContact CD2-CG2 4.4Å; L314-T319 HydrophobicContact CD2-CG2 3.78Å; L314-T319 PolarHBondContact O-N 3.21Å; S317-T319 VanDerWaalsContact C-N 3.3Å; S317-T319 PolarHBondContact OG-OG1 3.35Å
320L97.8Very high90.3Very high1 Ų145.5 Ų45.51%0.00523%0.233CC..SBendtrans-142.2161.8167.468.388.8000108.8W49 V260 L264 V270 V272 L311 L314 H315 V322W49-L320 PolarHBondContact NE1-O 2.91Å; V260-L320 HydrophobicContact CG1-CD2 4.1Å; L264-L320 HydrophobicContact CD1-CD2 4.28Å; L264-L320 HydrophobicContact CD2-CB 4.22Å; L264-L320 HydrophobicContact CD2-CD2 4.23Å; V270-L320 HydrophobicContact CB-CB 4.27Å; V272-L320 HydrophobicContact CG1-CD1 4.22Å; V272-L320 HydrophobicContact CG2-CD1 3.94Å; L311-L320 HydrophobicContact CD2-CD2 3.99Å; L314-L320 HydrophobicContact CB-CD1 4.45Å; L314-L320 HydrophobicContact CB-CD2 3.46Å; L314-L320 VanDerWaalsContact CB-CD2 3.46Å; L314-L320 HydrophobicContact CB-CG 3.52Å; L314-L320 HydrophobicContact CD1-CD2 3.51Å; L314-L320 HydrophobicContact CG-CD2 4.1Å; L314-L320 PolarHBondContact O-N 3.19Å; H315-L320 WeakPolarHBondContact CA-O 3.16Å; L320-V322 HydrophobicContact CD1-CG2 3.57Å
321R97.5Very high87.7Confident68 Ų6849.3 Ų49.326%0.25726%0.263SS..EExtended strand (participates in β ladder)trans-102.1122.1175-172.2179.1-177.2-176.31.7110.1W49 V270 T271 V272W49-R321 HydrophobicContact CB-CG 4.48Å; W49-R321 HydrophobicContact CD2-CB 3.94Å; W49-R321 HydrophobicContact CD2-CG 3.97Å; W49-R321 HydrophobicContact CE3-CB 4.33Å; W49-R321 HydrophobicContact CE3-CG 4.34Å; W49-R321 HydrophobicContact CG-CB 4.38Å; W49-R321 HydrophobicContact CG-CG 4.03Å; W49-R321 HydrophobicContact CH2-CB 4.39Å; W49-R321 HydrophobicContact CZ2-CB 4.03Å; V270-R321 PolarHBondContact O-N 3.28Å; T271-R321 CarbonylContact C-O 3.34Å; T271-R321 VanDerWaalsContact CA-O 3.28Å; T271-R321 WeakPolarHBondContact CA-O 3.25Å; T271-R321 HydrophobicContact CG2-CB 4.09Å; T271-R321 HydrophobicContact CG2-CG 4.15Å; V272-R321 PolarHBondContact N-O 2.87Å
322V96.8Very high84.9Confident7 Ų758.4 Ų58.44%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-92.9117.7165.9-1780000106.9V272 F308 L311 W312 H315 L320 V324V272-V322 HydrophobicContact CG2-CB 4.01Å; V272-V322 HydrophobicContact CG2-CG1 4.1Å; V272-V322 HydrophobicContact CG2-CG2 3.63Å; F308-V322 HydrophobicContact CE2-CG1 4.41Å; L311-V322 HydrophobicContact CB-CG2 4.07Å; W312-V322 HydrophobicContact CE3-CB 4.35Å; W312-V322 HydrophobicContact CZ3-CB 4.43Å; H315-V322 HydrophobicContact CB-CB 4.15Å; H315-V322 HydrophobicContact CB-CG2 3.84Å; H315-V322 PolarHBondContact CE1-O 3.16Å; H315-V322 PolarHBondContact ND1-N 3.43Å; L320-V322 HydrophobicContact CD1-CG2 3.57Å; V322-V324 HydrophobicContact CG1-CG2 3.64Å
323K95.3Very high82Confident22 Ų2261.4 Ų61.410%0.09634%0.34CS..EExtended strand (participates in β ladder)trans-97.6109.1173.2-174.563176.6168.40108.8E47 T271 V272 Y273 S326 C327E47-K323 IonicContact OE1-NZ 3.84Å; E47-K323 PolarHBondContact OE1-NZ 2.91Å; T271-K323 HydrophobicContact CG2-CB 4.07Å; V272-K323 PolarHBondContact O-N 3.32Å; Y273-K323 HydrophobicContact CD1-CB 3.73Å; Y273-K323 HydrophobicContact CD1-CG 3.95Å; Y273-K323 HydrophobicContact CE1-CB 3.69Å; Y273-K323 HydrophobicContact CE1-CG 3.73Å; K323-S326 WeakPolarHBondContact CE-O 3.37Å; K323-S326 PolarHBondContact NZ-O 3.05Å; K323-C327 WeakPolarHBondContact CE-SG 3.34Å
324V89.8Confident79.1Confident21 Ų2168.6 Ų68.613%0.12738%0.381CS..  trans-113.6143.2172.9-160.50000108.3V42 I126 W276 L282 V322V42-V324 HydrophobicContact CG1-CB 4.23Å; V42-V324 HydrophobicContact CG1-CG2 4.33Å; I126-V324 HydrophobicContact CD1-CG1 4.41Å; I126-V324 HydrophobicContact CG1-CG1 3.8Å; W276-V324 HydrophobicContact CD2-CG1 4.47Å; W276-V324 HydrophobicContact CE3-CG1 3.82Å; W276-V324 HydrophobicContact CE3-CG2 4.48Å; W276-V324 HydrophobicContact CZ3-CG1 4.05Å; L282-V324 HydrophobicContact CD1-CB 4.33Å; L282-V324 HydrophobicContact CD1-CG1 3.79Å; L282-V324 HydrophobicContact CD2-CG1 4.07Å; L282-V324 HydrophobicContact CG-CG1 4.04Å; V322-V324 HydrophobicContact CG1-CG2 3.64Å
325G85.9Confident78.1Confident21 Ų2171.9 Ų71.922%0.21640%0.4CS..SBendtrans85.4-160179.600000114.1
326S90.8Very high77.2Confident55 Ų5574.9 Ų74.939%0.38542%0.417SS..  trans-74.6144-173.3-170.10000112.4S130 K323 R328S130-S326 CarbonylContact O-C 3.53Å; S130-S326 WeakPolarHBondContact O-CA 3.5Å; S130-S326 PolarHBondContact O-OG 2.86Å; K323-S326 WeakPolarHBondContact CE-O 3.37Å; K323-S326 PolarHBondContact NZ-O 3.05Å; S326-R328 PolarHBondContact OG-N 3.34Å
327C91.9Very high76.2Confident25 Ų2573.9 Ų73.917%0.16942%0.418CS..  trans-101.110.2169.7-66.40000112.7S130 C132 D135 K323S130-C327 PolarHBondContact O-N 2.9Å; C132-C327 WeakPolarHBondContact CA-SG 3.31Å; C132-C327 HydrophobicContact CB-CB 3.82Å; C132-C327 WeakPolarHBondContact CB-SG 3.46Å; C132-C327 WeakPolarHBondContact SG-CB 3.23Å; C132-C327 CovalentContact SG-SG 2.03Å; C132-C327 PolarHBondContact SG-SG 2.71Å; D135-C327 HydrophobicContact CB-CB 4.22Å; K323-C327 WeakPolarHBondContact CE-SG 3.34Å
328R80.4Confident75Confident165 Ų16575.4 Ų75.462%0.62342%0.422SS*.SBendtrans-61.6141170.3-72.4-175.7177.4172.9-1.3109.3K131 S326 Q330K131-R328 HydrophobicContact CB-CG 4.21Å; K131-R328 HydrophobicContact CG-CG 4.32Å; S326-R328 PolarHBondContact OG-N 3.34Å; R328-Q330 PolarHBondContact O-N 3.21Å
329P58.3Low73.7Confident120 Ų12079.9 Ų79.978%0.77945%0.447SS*.  trans-55129.2159.8-10.923.9000106.6S331P329-S331 PolarHBondContact O-N 3.4Å
330Q47.4Very low72Confident153 Ų15384.9 Ų84.972%0.71547%0.474SS*.  trans-57.2115.3163-67-174.37.800105.1R328 E332R328-Q330 PolarHBondContact O-N 3.21Å; Q330-E332 PolarHBondContact O-N 3.18Å
331S41.5Very low70.2Confident107 Ų10790.9 Ų90.975%0.74851%0.508SS*.  trans-53.6115.5165.241.90000105.5P329 G333P329-S331 PolarHBondContact O-N 3.4Å; S331-G333 PolarHBondContact O-N 2.69Å
332E38Very low68.1Low193 Ų19392.6 Ų92.690%0.90253%0.527SS*.  trans-45.9112.9163.8-71.4-179.9162.800105.7Q330 N334Q330-E332 PolarHBondContact O-N 3.18Å; E332-N334 PolarHBondContact O-N 3.15Å; E332-N334 VanDerWaalsContact O-N 3.15Å
333G36.6Very low65.7Low74 Ų7499.8 Ų99.876%0.76357%0.568SS**  trans-59.2120.9178.700000107.6S331S331-G333 PolarHBondContact O-N 2.69Å
334N32.4Very low63Low241 Ų241106.8 Ų106.8100%1.28961%0.611SS**  trans-65.90160.8-105.85.4000109.9E332E332-N334 PolarHBondContact O-N 3.15Å; E332-N334 VanDerWaalsContact O-N 3.15Å

Retrieved 334 of 334 residues in 612.3 ms (Link to these results)

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