A0A093JXV8_STRCA Loading...

NEDD8-activating enzyme E1 catalytic subunit

Catalytic subunit of the dimeric E1 enzyme, which activates NEDD8.

AlphaFold DB , UniProt , Accession A0A093JXV8, Species STRCA (Struthio camelus australis), Gene n/a, Length 442 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
1M35.3Very low44.7Very low236 Ų236111.2 Ų111.2100%1.16375%0.748SS**  098.20-73.7178.3-167.600106.7
2A35.6Very low48.6Very low94 Ų94106 Ų10678%0.77771%0.707SS**  trans-70.5130.9165.200000106.8
3V38Very low52.2Low139 Ų139109.5 Ų109.584%0.84270%0.697SS**  trans-103.2101.9168.5-161.40000105G5V3-G5 PolarHBondContact O-N 3.1Å
4D42.2Very low55.3Low157 Ų157115.6 Ų115.684%0.8471%0.712SS**  trans-57.2114.8168.2-73.1-41.5000108.7
5G35.2Very low58Low76 Ų76109.8 Ų109.878%0.78469%0.685SS**  trans-125.845174.200000110.5V3 C7V3-G5 PolarHBondContact O-N 3.1Å; G5-C7 VanDerWaalsContact C-N 3.35Å; G5-C7 PolarHBondContact O-N 3.49Å
6G40.6Very low60.4Low84 Ų84105 Ų10587%0.86665%0.65SS**  trans-73.686.7170.600000110.5
7C39Very low62.6Low119 Ų119100.4 Ų100.480%0.80462%0.617SS**  trans-113.992.3152.4-166.30000105.7G5 D9G5-C7 VanDerWaalsContact C-N 3.35Å; G5-C7 PolarHBondContact O-N 3.49Å; C7-D9 PolarHBondContact O-N 3.13Å; C7-D9 VanDerWaalsContact O-N 3.08Å
8G41.6Very low64.6Low64 Ų6499.4 Ų99.466%0.6661%0.607SS**  trans-63.2109.5169.600000107.3T10G8-T10 VanDerWaalsContact C-N 3.33Å; G8-T10 PolarHBondContact O-N 3.31Å
9D48.4Very low66.4Low145 Ų145101.6 Ų101.678%0.77561%0.61SS**  trans-61.299.4170.5-171.93.4000107C7 G11C7-D9 PolarHBondContact O-N 3.13Å; C7-D9 VanDerWaalsContact O-N 3.08Å; D9-G11 PolarHBondContact O-N 3.05Å; D9-G11 PolarHBondContact OD1-N 2.94Å
10T61.6Low68Low98 Ų9897.2 Ų97.260%0.60158%0.584SS**  trans-68.60.4-179.855.40000111.4G8 D12 N117G8-T10 VanDerWaalsContact C-N 3.33Å; G8-T10 PolarHBondContact O-N 3.31Å; T10-D12 PolarHBondContact O-N 3.42Å; T10-D12 VanDerWaalsContact O-N 3.07Å; T10-N117 PolarHBondContact O-ND2 3.04Å
11G74.5Confident69.5Low11 Ų1196.1 Ų96.111%0.11357%0.571CS.*SBendtrans69-6.1-175.400000114D9 R16 N117D9-G11 PolarHBondContact O-N 3.05Å; D9-G11 PolarHBondContact OD1-N 2.94Å; G11-R16 PolarHBondContact O-NH1 3.36Å; G11-N117 VanDerWaalsContact C-ND2 3.31Å; G11-N117 VanDerWaalsContact CA-ND2 3.33Å; G11-N117 WeakPolarHBondContact CA-ND2 3.48Å
12D91.1Very high72.5Confident49 Ų4989.7 Ų89.726%0.26254%0.537SS..  trans-101.595173.4-70.9-43.7000110.4T10 R16 W17 R73T10-D12 PolarHBondContact O-N 3.42Å; T10-D12 VanDerWaalsContact O-N 3.07Å; D12-R16 WeakPolarHBondContact OD1-CD 3.32Å; D12-R16 IonicContact OD1-CZ 2.75Å; D12-R16 IonicContact OD1-NE 3.21Å; D12-R16 IonicContact OD1-NH1 2.94Å; D12-R16 PolarHBondContact OD1-NH1 3.29Å; D12-W17 PolarHBondContact OD1-NE1 2.77Å; D12-R73 IonicContact OD1-NH2 3.82Å; D12-R73 PolarHBondContact OD1-NH2 3.5Å; D12-R73 IonicContact OD2-CZ 2.8Å; D12-R73 IonicContact OD2-NH1 3.52Å; D12-R73 IonicContact OD2-NH2 3.83Å; D12-R73 PolarHBondContact OD2-NH2 2.92Å
13W95Very high75.5Confident152 Ų15289.8 Ų89.858%0.57652%0.52SS*.  trans-72.7161.8175.363.689.6000112.3G15 R16 P116W13-G15 PolarHBondContact O-N 2.99Å; W13-R16 HydrophobicContact CD2-CB 3.98Å; W13-R16 HydrophobicContact CD2-CG 4.14Å; W13-R16 HydrophobicContact CE3-CG 4.41Å; W13-R16 HydrophobicContact CG-CB 4.17Å; W13-R16 HydrophobicContact CH2-CG 4.03Å; W13-R16 HydrophobicContact CZ2-CB 4.2Å; W13-R16 HydrophobicContact CZ2-CG 3.71Å; W13-R16 HydrophobicContact CZ3-CG 4.35Å; W13-R16 VanDerWaalsContact O-CB 3.26Å; W13-R16 WeakPolarHBondContact O-CB 3.43Å; W13-R16 PolarHBondContact O-N 3.24Å; W13-R16 VanDerWaalsContact O-N 3.14Å; W13-P116 HydrophobicContact CZ3-CG 4.11Å
14E95.9Very high78.3Confident194 Ų19483.2 Ų83.291%0.90748%0.48SS*.THydrogen-bonded Turntrans-55127.8178.2-170.4-176172.800111.4R16E14-R16 VanDerWaalsContact C-N 3.27Å; E14-R16 PolarHBondContact O-N 3.42Å
15G96Very high81Confident29 Ų2979.5 Ų79.530%0.29946%0.458SS..THydrogen-bonded Turntrans78.10.5176.800000116W13 W17 N18W13-G15 PolarHBondContact O-N 2.99Å; G15-W17 PolarHBondContact O-N 3.34Å; G15-W17 VanDerWaalsContact O-N 3.15Å; G15-N18 VanDerWaalsContact CA-CG 3.43Å; G15-N18 VanDerWaalsContact CA-ND2 3.28Å; G15-N18 WeakPolarHBondContact CA-ND2 3.49Å; G15-N18 WeakPolarHBondContact CA-OD1 3.43Å; G15-N18 VanDerWaalsContact O-CB 3.3Å; G15-N18 WeakPolarHBondContact O-CB 3.18Å; G15-N18 PolarHBondContact O-N 3.21Å; G15-N18 PolarHBondContact O-ND2 3.2Å
16R96.8Very high84Confident33 Ų3383.3 Ų83.313%0.12545%0.448CS..THydrogen-bonded Turntrans-47.6-44.6178.3-178.2176.3179.3-177.3-0.7113.3G11 D12 W13 E14 P116G11-R16 PolarHBondContact O-NH1 3.36Å; D12-R16 WeakPolarHBondContact OD1-CD 3.32Å; D12-R16 IonicContact OD1-CZ 2.75Å; D12-R16 IonicContact OD1-NE 3.21Å; D12-R16 IonicContact OD1-NH1 2.94Å; D12-R16 PolarHBondContact OD1-NH1 3.29Å; W13-R16 HydrophobicContact CD2-CB 3.98Å; W13-R16 HydrophobicContact CD2-CG 4.14Å; W13-R16 HydrophobicContact CE3-CG 4.41Å; W13-R16 HydrophobicContact CG-CB 4.17Å; W13-R16 HydrophobicContact CH2-CG 4.03Å; W13-R16 HydrophobicContact CZ2-CB 4.2Å; W13-R16 HydrophobicContact CZ2-CG 3.71Å; W13-R16 HydrophobicContact CZ3-CG 4.35Å; W13-R16 VanDerWaalsContact O-CB 3.26Å; W13-R16 WeakPolarHBondContact O-CB 3.43Å; W13-R16 PolarHBondContact O-N 3.24Å; W13-R16 VanDerWaalsContact O-N 3.14Å; E14-R16 VanDerWaalsContact C-N 3.27Å; E14-R16 PolarHBondContact O-N 3.42Å; R16-P116 VanDerWaalsContact CZ-O 3.29Å; R16-P116 PolarHBondContact NH1-O 2.54Å; R16-P116 PolarHBondContact NH2-O 3.02Å
17W97.9Very high86.7Confident26 Ų2683.9 Ų83.910%0.09844%0.439CS..THydrogen-bonded Turntrans-100.116.1-175.6-57.9114.3000114.2D12 G15 H19 V20 K21 L42 L46 A68D12-W17 PolarHBondContact OD1-NE1 2.77Å; G15-W17 PolarHBondContact O-N 3.34Å; G15-W17 VanDerWaalsContact O-N 3.15Å; W17-H19 PolarHBondContact O-N 3.36Å; W17-H19 VanDerWaalsContact O-N 3.15Å; W17-V20 HydrophobicContact CE3-CG2 4.15Å; W17-V20 PolarHBondContact O-N 3.16Å; W17-V20 VanDerWaalsContact O-N 3.1Å; W17-K21 HydrophobicContact CB-CG 4.44Å; W17-K21 WeakPolarHBondContact O-CG 3.23Å; W17-K21 PolarHBondContact O-N 3.28Å; W17-L42 HydrophobicContact CB-CD1 4.41Å; W17-L42 HydrophobicContact CB-CD2 3.94Å; W17-L42 HydrophobicContact CG-CD1 4.39Å; W17-L42 HydrophobicContact CG-CD2 4.35Å; W17-L46 HydrophobicContact CH2-CD2 4.35Å; W17-L46 HydrophobicContact CZ2-CD2 3.72Å; W17-A68 WeakPolarHBondContact CH2-O 3.33Å
18N98.4Very high89.5Confident83 Ų8379.8 Ų79.844%0.44442%0.417SS..Hα-helixtrans-58.1-32-175-81.4-8.6000114.2G15 K22G15-N18 VanDerWaalsContact CA-CG 3.43Å; G15-N18 VanDerWaalsContact CA-ND2 3.28Å; G15-N18 WeakPolarHBondContact CA-ND2 3.49Å; G15-N18 WeakPolarHBondContact CA-OD1 3.43Å; G15-N18 VanDerWaalsContact O-CB 3.3Å; G15-N18 WeakPolarHBondContact O-CB 3.18Å; G15-N18 PolarHBondContact O-N 3.21Å; G15-N18 PolarHBondContact O-ND2 3.2Å; N18-K22 WeakPolarHBondContact O-CG 3.46Å
19H98.6Very high92.2Very high142 Ų14282.4 Ų82.466%0.65742%0.423SS*.Hα-helixtrans-71.6-42.3177.7-65.7-74.2000111.8W17 F23W17-H19 PolarHBondContact O-N 3.36Å; W17-H19 VanDerWaalsContact O-N 3.15Å; H19-F23 VanDerWaalsContact O-CD2 3.31Å; H19-F23 WeakPolarHBondContact O-CD2 3.47Å
20V98.5Very high94.5Very high13 Ų1383 Ų838%0.07942%0.419CS..Hα-helixtrans-68.2-46.7178.21760000110.9W17 K22 F23 L24 L42 L45 F308W17-V20 HydrophobicContact CE3-CG2 4.15Å; W17-V20 PolarHBondContact O-N 3.16Å; W17-V20 VanDerWaalsContact O-N 3.1Å; V20-K22 PolarHBondContact O-N 3.34Å; V20-K22 VanDerWaalsContact O-N 3.11Å; V20-F23 PolarHBondContact O-N 2.9Å; V20-L24 HydrophobicContact CG1-CD1 3.6Å; V20-L24 HydrophobicContact CG1-CG 4.19Å; V20-L24 PolarHBondContact O-N 3.48Å; V20-L42 HydrophobicContact CG1-CD1 3.97Å; V20-L45 HydrophobicContact CG1-CD1 4.46Å; V20-F308 HydrophobicContact CG1-CE2 3.76Å; V20-F308 HydrophobicContact CG1-CZ 4.01Å
21K98.4Very high96.3Very high75 Ų7580.2 Ų80.233%0.32640%0.401SS..Hα-helixtrans-53.3-35.8-179.6-75.8-177.9170.2-161.40113.8W17 F23 L24 E25 L42W17-K21 HydrophobicContact CB-CG 4.44Å; W17-K21 WeakPolarHBondContact O-CG 3.23Å; W17-K21 PolarHBondContact O-N 3.28Å; K21-F23 PolarHBondContact O-N 3.33Å; K21-L24 PolarHBondContact O-N 3.3Å; K21-L24 VanDerWaalsContact O-N 3.12Å; K21-E25 HydrophobicContact CB-CG 4.35Å; K21-E25 VanDerWaalsContact CD-OE1 3.28Å; K21-E25 WeakPolarHBondContact CD-OE1 3.22Å; K21-E25 WeakPolarHBondContact CG-OE1 3.45Å; K21-E25 IonicContact NZ-OE1 2.88Å; K21-E25 WeakPolarHBondContact O-CB 3.27Å; K21-E25 PolarHBondContact O-N 2.99Å; K21-L42 HydrophobicContact CD-CD2 4.33Å; K21-L42 HydrophobicContact CG-CD2 3.77Å
22K98.5Very high97.4Very high100 Ų10082 Ų8244%0.43541%0.406SS..Hα-helixtrans-59.3-28.4178.6-73.1170.7-174.7179.50113.4N18 V20 R26N18-K22 WeakPolarHBondContact O-CG 3.46Å; V20-K22 PolarHBondContact O-N 3.34Å; V20-K22 VanDerWaalsContact O-N 3.11Å; K22-R26 WeakPolarHBondContact O-CB 3.44Å; K22-R26 WeakPolarHBondContact O-CD 3.46Å
23F98.5Very high97.7Very high96 Ų9685 Ų8542%0.42143%0.429SS..Hα-helixtrans-92.9-17.7179-62.1-72.1000113.4H19 V20 K21 F35 F308 Y315H19-F23 VanDerWaalsContact O-CD2 3.31Å; H19-F23 WeakPolarHBondContact O-CD2 3.47Å; V20-F23 PolarHBondContact O-N 2.9Å; K21-F23 PolarHBondContact O-N 3.33Å; F23-F35 VanDerWaalsContact O-CZ 3.27Å; F23-F35 WeakPolarHBondContact O-CZ 3.44Å; F23-F308 HydrophobicContact CB-CE1 4.22Å; F23-F308 HydrophobicContact CB-CZ 4.37Å; F23-Y315 AromaticContact CD1-CE2 3.72Å; F23-Y315 HydrophobicContact CD1-CE2 3.72Å; F23-Y315 HydrophobicContact CE1-CE2 4.16Å
24L98.3Very high97.8Very high1 Ų183.5 Ų83.51%0.00543%0.432CS..Hα-helixtrans-102.3-33.6-176.2-57.7-175.3000112.7V20 K21 P37 G38 A41 L42 L45 F308 T312 A314V20-L24 HydrophobicContact CG1-CD1 3.6Å; V20-L24 HydrophobicContact CG1-CG 4.19Å; V20-L24 PolarHBondContact O-N 3.48Å; K21-L24 PolarHBondContact O-N 3.3Å; K21-L24 VanDerWaalsContact O-N 3.12Å; L24-P37 CarbonylContact O-C 3.54Å; L24-P37 VanDerWaalsContact O-CA 3.29Å; L24-P37 WeakPolarHBondContact O-CA 3.36Å; L24-G38 PolarHBondContact O-N 3.44Å; L24-A41 HydrophobicContact CB-CB 4.26Å; L24-A41 HydrophobicContact CD1-CB 4.09Å; L24-A41 HydrophobicContact CD2-CB 4.1Å; L24-A41 HydrophobicContact CG-CB 4.38Å; L24-L42 HydrophobicContact CD1-CB 3.91Å; L24-L42 HydrophobicContact CD1-CD1 4.46Å; L24-L45 HydrophobicContact CD1-CD1 3.94Å; L24-F308 HydrophobicContact CD1-CZ 4.46Å; L24-F308 HydrophobicContact CD2-CE1 4.43Å; L24-F308 HydrophobicContact CD2-CE2 4.47Å; L24-F308 HydrophobicContact CD2-CZ 3.77Å; L24-F308 HydrophobicContact CG-CZ 4.16Å; L24-T312 HydrophobicContact CD2-CG2 3.74Å; L24-A314 HydrophobicContact CD2-CB 4.5Å
25E98Very high97.9Very high80 Ų8075.2 Ų75.237%0.37439%0.393SS..SBendtrans-94.3-6.2-175.7-61.9175.3-179.300112.9K21 T39K21-E25 HydrophobicContact CB-CG 4.35Å; K21-E25 VanDerWaalsContact CD-OE1 3.28Å; K21-E25 WeakPolarHBondContact CD-OE1 3.22Å; K21-E25 WeakPolarHBondContact CG-OE1 3.45Å; K21-E25 IonicContact NZ-OE1 2.88Å; K21-E25 WeakPolarHBondContact O-CB 3.27Å; K21-E25 PolarHBondContact O-N 2.99Å; E25-T39 HydrophobicContact CG-CG2 4.4Å
26R97.9Very high98Very high155 Ų15581.7 Ų81.759%0.58542%0.415SS*.SBendtrans-124.2136.7-175.9-53.5178.8-175.4-173.4-3.8110K22 F35K22-R26 WeakPolarHBondContact O-CB 3.44Å; K22-R26 WeakPolarHBondContact O-CD 3.46Å; R26-F35 WeakPolarHBondContact O-CE1 3.19Å
27S97.3Very high97.9Very high96 Ų9683.4 Ų83.467%0.67143%0.431SS*.  trans-77164.6168.956.60000111.7
28G97.4Very high97.8Very high33 Ų3383.4 Ų83.434%0.3444%0.439SS..  trans-159165.1175.300000111.6F30 T31G28-F30 PolarHBondContact O-N 3.45Å; G28-T31 WeakPolarHBondContact O-CG2 3.37Å; G28-T31 PolarHBondContact O-OG1 2.82Å; G28-T31 VanDerWaalsContact O-OG1 3.13Å
29P98Very high97.5Very high120 Ų12083.9 Ų83.978%0.77945%0.445SS*.THydrogen-bonded Turntrans-72.6-10-176.429.3-36000114.3
30F98.3Very high97.3Very high158 Ų15884.4 Ų84.469%0.69345%0.448SS*.THydrogen-bonded Turntrans-116.214.5-176.2-55.3-60.9000112.9G28 Y315G28-F30 PolarHBondContact O-N 3.45Å; F30-Y315 HydrophobicContact CB-CD1 4.14Å; F30-Y315 HydrophobicContact CB-CE1 4.1Å; F30-Y315 VanDerWaalsContact O-CD1 3.31Å; F30-Y315 WeakPolarHBondContact O-CD1 3.2Å
31T98.4Very high97.1Very high38 Ų3884.9 Ų84.923%0.23345%0.453CS..SBendtrans-69.2156.617856.30000110.7G28 F35 A314G28-T31 WeakPolarHBondContact O-CG2 3.37Å; G28-T31 PolarHBondContact O-OG1 2.82Å; G28-T31 VanDerWaalsContact O-OG1 3.13Å; T31-F35 HydrophobicContact CG2-CD1 3.5Å; T31-F35 HydrophobicContact CG2-CE1 3.92Å; T31-F35 HydrophobicContact CG2-CG 4.13Å; T31-A314 WeakPolarHBondContact CA-O 3.33Å
32H98.3Very high97.1Very high48 Ų4882 Ų8222%0.22244%0.441CS..  trans-60149.4170.2-166.8-98.2000110D34 F35 S313H32-D34 IonicContact CE1-OD2 3.1Å; H32-D34 PolarHBondContact CE1-OD2 3.4Å; H32-D34 PolarHBondContact ND1-N 3.1Å; H32-D34 IonicContact ND1-OD2 3.42Å; H32-D34 PolarHBondContact ND1-OD2 3.01Å; H32-D34 PolarHBondContact O-N 3.32Å; H32-F35 HydrophobicContact CB-CB 4.5Å; H32-F35 WeakPolarHBondContact O-CB 3.44Å; H32-F35 PolarHBondContact O-N 3.4Å; H32-S313 WeakPolarHBondContact CB-O 3.29Å; H32-S313 PolarHBondContact N-O 3.28Å
33P98Very high96.9Very high113 Ų11383.3 Ų83.373%0.73445%0.449SS*.THydrogen-bonded Turntrans-54.2-34.4176.3-29.737000114.2F35P33-F35 VanDerWaalsContact C-N 3.28Å; P33-F35 PolarHBondContact O-N 3.03Å
34D96.8Very high96.9Very high121 Ų12182.3 Ų82.365%0.64744%0.444SS*.THydrogen-bonded Turntrans-87.911.3179.6-52.1-37.2000113.6H32H32-D34 IonicContact CE1-OD2 3.1Å; H32-D34 PolarHBondContact CE1-OD2 3.4Å; H32-D34 PolarHBondContact ND1-N 3.1Å; H32-D34 IonicContact ND1-OD2 3.42Å; H32-D34 PolarHBondContact ND1-OD2 3.01Å; H32-D34 PolarHBondContact O-N 3.32Å
35F98.1Very high96.8Very high19 Ų1982.2 Ų82.28%0.08344%0.444CS..  trans-77.9126.3179.9-178-109.7000111.9F23 R26 T31 H32 P33 P37 S313 A314F23-F35 VanDerWaalsContact O-CZ 3.27Å; F23-F35 WeakPolarHBondContact O-CZ 3.44Å; R26-F35 WeakPolarHBondContact O-CE1 3.19Å; T31-F35 HydrophobicContact CG2-CD1 3.5Å; T31-F35 HydrophobicContact CG2-CE1 3.92Å; T31-F35 HydrophobicContact CG2-CG 4.13Å; H32-F35 HydrophobicContact CB-CB 4.5Å; H32-F35 WeakPolarHBondContact O-CB 3.44Å; H32-F35 PolarHBondContact O-N 3.4Å; P33-F35 VanDerWaalsContact C-N 3.28Å; P33-F35 PolarHBondContact O-N 3.03Å; F35-P37 HydrophobicContact CE1-CB 4.04Å; F35-P37 HydrophobicContact CZ-CB 4.41Å; F35-S313 WeakPolarHBondContact CB-O 3.28Å; F35-S313 WeakPolarHBondContact CD2-O 3.47Å; F35-A314 HydrophobicContact CE2-CB 4.29Å
36E96.6Very high96.8Very high165 Ų16579.5 Ų79.577%0.77143%0.432SS*.  trans-116.9121.5169.7-65.1-167.3166.400110.6G38E36-G38 PolarHBondContact O-N 3.25Å
37P96.7Very high96.7Very high69 Ų6975 Ų7545%0.44842%0.424SS..  trans-70.5129.8178.728.4-33.9000111.1L24 F35L24-P37 CarbonylContact O-C 3.54Å; L24-P37 VanDerWaalsContact O-CA 3.29Å; L24-P37 WeakPolarHBondContact O-CA 3.36Å; F35-P37 HydrophobicContact CE1-CB 4.04Å; F35-P37 HydrophobicContact CZ-CB 4.41Å
38G94.4Very high96.7Very high26 Ų2673.6 Ų73.627%0.26841%0.412SS..SBendtrans177.2173.2178.200000114.3L24 E36 Q40L24-G38 PolarHBondContact O-N 3.44Å; E36-G38 PolarHBondContact O-N 3.25Å; G38-Q40 VanDerWaalsContact C-N 3.32Å
39T92.4Very high96.8Very high93 Ų9372.1 Ų72.157%0.57140%0.396SS*.SBendtrans-78.4-18.617856.30000113E25 A41 L42 E43E25-T39 HydrophobicContact CG-CG2 4.4Å; T39-A41 VanDerWaalsContact C-N 3.32Å; T39-A41 PolarHBondContact O-N 2.85Å; T39-L42 PolarHBondContact O-N 2.83Å; T39-E43 PolarHBondContact O-N 3.13Å
40Q94.4Very high96.8Very high154 Ų15469.6 Ų69.672%0.7237%0.373SS*.Hα-helixtrans-63-36.4-175.9-63.6177.815.900112.3G38 L42 E43 F44G38-Q40 VanDerWaalsContact C-N 3.32Å; Q40-L42 VanDerWaalsContact C-N 3.32Å; Q40-L42 PolarHBondContact O-N 3.4Å; Q40-E43 PolarHBondContact O-N 3.37Å; Q40-F44 WeakPolarHBondContact O-CB 3.47Å; Q40-F44 PolarHBondContact O-N 2.99Å
41A95.1Very high96.8Very high23 Ų2362.1 Ų62.119%0.1934%0.34CS..Hα-helixtrans-61.8-39.5178.400000112.1L24 T39 F44 L45L24-A41 HydrophobicContact CB-CB 4.26Å; L24-A41 HydrophobicContact CD1-CB 4.09Å; L24-A41 HydrophobicContact CD2-CB 4.1Å; L24-A41 HydrophobicContact CG-CB 4.38Å; T39-A41 VanDerWaalsContact C-N 3.32Å; T39-A41 PolarHBondContact O-N 2.85Å; A41-F44 PolarHBondContact O-N 3.38Å; A41-L45 WeakPolarHBondContact O-CG 3.42Å; A41-L45 PolarHBondContact O-N 2.62Å
42L96.8Very high96.8Very high14 Ų1460.3 Ų60.37%0.07333%0.329CS..Hα-helixtrans-67.3-40.5176.2-179.659.4000111.2W17 V20 K21 L24 T39 Q40 L45 L46W17-L42 HydrophobicContact CB-CD1 4.41Å; W17-L42 HydrophobicContact CB-CD2 3.94Å; W17-L42 HydrophobicContact CG-CD1 4.39Å; W17-L42 HydrophobicContact CG-CD2 4.35Å; V20-L42 HydrophobicContact CG1-CD1 3.97Å; K21-L42 HydrophobicContact CD-CD2 4.33Å; K21-L42 HydrophobicContact CG-CD2 3.77Å; L24-L42 HydrophobicContact CD1-CB 3.91Å; L24-L42 HydrophobicContact CD1-CD1 4.46Å; T39-L42 PolarHBondContact O-N 2.83Å; Q40-L42 VanDerWaalsContact C-N 3.32Å; Q40-L42 PolarHBondContact O-N 3.4Å; L42-L45 PolarHBondContact O-N 3.32Å; L42-L46 HydrophobicContact CD1-CD1 3.88Å; L42-L46 HydrophobicContact CD1-CG 4.11Å; L42-L46 HydrophobicContact CG-CD1 3.8Å; L42-L46 HydrophobicContact CG-CG 4.44Å; L42-L46 WeakPolarHBondContact O-CB 3.29Å; L42-L46 VanDerWaalsContact O-CG 3.25Å; L42-L46 WeakPolarHBondContact O-CG 3.31Å; L42-L46 PolarHBondContact O-N 2.99Å
43E96.2Very high96.9Very high128 Ų12858 Ų5860%0.59832%0.318SS*.Hα-helixtrans-62.9-42.5175.9-173.8170.8-169.900111.4T39 Q40 L46 S47T39-E43 PolarHBondContact O-N 3.13Å; Q40-E43 PolarHBondContact O-N 3.37Å; E43-L46 PolarHBondContact O-N 3.23Å; E43-S47 VanDerWaalsContact O-CB 3.3Å; E43-S47 WeakPolarHBondContact O-CB 3.39Å; E43-S47 PolarHBondContact O-N 3.49Å; E43-S47 PolarHBondContact O-OG 2.67Å
44F97.7Very high96.9Very high74 Ų7452.7 Ų52.733%0.32528%0.283SS..Hα-helixtrans-57.8-49.7173.5172.5-99.4000111.8Q40 A41 L46 S47 T48 C49Q40-F44 WeakPolarHBondContact O-CB 3.47Å; Q40-F44 PolarHBondContact O-N 2.99Å; A41-F44 PolarHBondContact O-N 3.38Å; F44-L46 VanDerWaalsContact C-N 3.31Å; F44-L46 PolarHBondContact O-N 3.26Å; F44-S47 PolarHBondContact O-N 2.87Å; F44-T48 WeakPolarHBondContact CA-OG1 3.41Å; F44-T48 WeakPolarHBondContact CD2-OG1 3.44Å; F44-T48 WeakPolarHBondContact CE2-OG1 3.46Å; F44-T48 PolarHBondContact O-N 2.86Å; F44-T48 PolarHBondContact O-OG1 3.34Å; F44-C49 HydrophobicContact CD1-CB 4.02Å; F44-C49 HydrophobicContact CE1-CB 3.64Å; F44-C49 HydrophobicContact CZ-CB 3.94Å; F44-C49 PolarHBondContact O-N 3.39Å
45L96.9Very high97Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-56.9-44.1177.2-71.5-179.1000112.6V20 L24 A41 L42 C49 G71 F72 F308 A311 T312V20-L45 HydrophobicContact CG1-CD1 4.46Å; L24-L45 HydrophobicContact CD1-CD1 3.94Å; A41-L45 WeakPolarHBondContact O-CG 3.42Å; A41-L45 PolarHBondContact O-N 2.62Å; L42-L45 PolarHBondContact O-N 3.32Å; L45-C49 HydrophobicContact CD2-CB 4.44Å; L45-G71 CarbonylContact C-O 3.2Å; L45-F72 HydrophobicContact CD2-CD1 4.06Å; L45-F72 HydrophobicContact CD2-CE1 3.47Å; L45-F72 VanDerWaalsContact CD2-CE1 3.47Å; L45-F72 HydrophobicContact CD2-CE2 4.24Å; L45-F72 HydrophobicContact CD2-CZ 3.57Å; L45-F308 HydrophobicContact CD1-CD2 4.16Å; L45-F308 HydrophobicContact CD1-CE2 3.69Å; L45-A311 HydrophobicContact CD2-CB 3.7Å; L45-T312 HydrophobicContact CD1-CG2 3.68Å; L45-T312 HydrophobicContact CD2-CG2 3.72Å; L45-T312 HydrophobicContact CG-CG2 3.88Å
46L96.9Very high96.9Very high23 Ų2346.3 Ų46.312%0.1225%0.252CS..Hα-helixtrans-77.5-32-175.3-67.1167.9000112.7W17 L42 E43 F44 G71 R73W17-L46 HydrophobicContact CH2-CD2 4.35Å; W17-L46 HydrophobicContact CZ2-CD2 3.72Å; L42-L46 HydrophobicContact CD1-CD1 3.88Å; L42-L46 HydrophobicContact CD1-CG 4.11Å; L42-L46 HydrophobicContact CG-CD1 3.8Å; L42-L46 HydrophobicContact CG-CG 4.44Å; L42-L46 WeakPolarHBondContact O-CB 3.29Å; L42-L46 VanDerWaalsContact O-CG 3.25Å; L42-L46 WeakPolarHBondContact O-CG 3.31Å; L42-L46 PolarHBondContact O-N 2.99Å; E43-L46 PolarHBondContact O-N 3.23Å; F44-L46 VanDerWaalsContact C-N 3.31Å; F44-L46 PolarHBondContact O-N 3.26Å; L46-G71 WeakPolarHBondContact CA-O 3.43Å; L46-G71 WeakPolarHBondContact CD2-O 3.31Å; L46-G71 PolarHBondContact N-O 3.41Å; L46-R73 HydrophobicContact CD2-CG 4.01Å; L46-R73 WeakPolarHBondContact O-CB 3.24Å; L46-R73 VanDerWaalsContact O-CD 3.26Å; L46-R73 WeakPolarHBondContact O-CD 3.39Å
47S96.1Very high96.6Very high59 Ų5939.4 Ų39.441%0.41323%0.225SC..Hα-helixtrans-108.9-37.4-167.365.50000114.6E43 F44 Q74E43-S47 VanDerWaalsContact O-CB 3.3Å; E43-S47 WeakPolarHBondContact O-CB 3.39Å; E43-S47 PolarHBondContact O-N 3.49Å; E43-S47 PolarHBondContact O-OG 2.67Å; F44-S47 PolarHBondContact O-N 2.87Å; S47-Q74 PolarHBondContact O-NE2 2.9Å
48T97.4Very high96.4Very high68 Ų6836.2 Ų36.242%0.41720%0.204SC..THydrogen-bonded Turntrans-121.4-31.7-168.153.50000113.7F44 K50 H139F44-T48 WeakPolarHBondContact CA-OG1 3.41Å; F44-T48 WeakPolarHBondContact CD2-OG1 3.44Å; F44-T48 WeakPolarHBondContact CE2-OG1 3.46Å; F44-T48 PolarHBondContact O-N 2.86Å; F44-T48 PolarHBondContact O-OG1 3.34Å; T48-K50 PolarHBondContact O-N 2.86Å; T48-H139 PolarHBondContact O-CE1 2.92Å
49C98.5Very high96.5Very high1 Ų135.2 Ų35.21%0.00719%0.193CC..  trans-67.994.6-173.5-165.80000112.2F44 L45 F72F44-C49 HydrophobicContact CD1-CB 4.02Å; F44-C49 HydrophobicContact CE1-CB 3.64Å; F44-C49 HydrophobicContact CZ-CB 3.94Å; F44-C49 PolarHBondContact O-N 3.39Å; L45-C49 HydrophobicContact CD2-CB 4.44Å; C49-F72 HydrophobicContact CB-CD1 4.35Å; C49-F72 HydrophobicContact CB-CE1 4.4Å
50K98.8Very high96.8Very high68 Ų6830.8 Ų30.830%0.29617%0.166SC..  trans-75.4121.1172.9-68.3-177.9171.2-1700112.3T48 Q74 Q137 F138 H139T48-K50 PolarHBondContact O-N 2.86Å; K50-Q74 WeakPolarHBondContact CA-O 3.48Å; K50-Q74 HydrophobicContact CG-CB 4.05Å; K50-Q137 HydrophobicContact CD-CG 4.35Å; K50-Q137 VanDerWaalsContact CD-O 3.28Å; K50-Q137 WeakPolarHBondContact CD-O 3.2Å; K50-F138 HydrophobicContact CB-CD1 3.97Å; K50-H139 PolarHBondContact N-ND1 3.05Å; K50-H139 PolarHBondContact O-N 3.09Å
51V98.9Very high97Very high0 Ų023.5 Ų23.50%013%0.132CC..EExtended strand (participates in β ladder)trans-121132.6175.8-178.20000110.1L67 F72 Q74 I75 H76 I140 V142 V307V51-L67 HydrophobicContact CG1-CD1 3.93Å; V51-F72 HydrophobicContact CG2-CD1 3.52Å; V51-F72 HydrophobicContact CG2-CE1 3.72Å; V51-F72 HydrophobicContact CG2-CG 4.38Å; V51-Q74 PolarHBondContact N-O 3.31Å; V51-I75 CarbonylContact O-C 3.41Å; V51-I75 WeakPolarHBondContact O-CA 3.33Å; V51-H76 PolarHBondContact O-N 3.27Å; V51-I140 WeakPolarHBondContact CA-O 3.16Å; V51-I140 HydrophobicContact CG2-CB 4.47Å; V51-V142 HydrophobicContact CG1-CG2 3.95Å; V51-V307 HydrophobicContact CG1-CG1 4.36Å; V51-V307 HydrophobicContact CG2-CG1 4.32Å
52L98.9Very high97.1Very high0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-100.9127.6171.3178.764.6000110.3I54 H76 I78 F134 Y135 F138 I140 I141 V142L52-I54 HydrophobicContact CD2-CD1 4Å; L52-I54 HydrophobicContact CD2-CG1 3.87Å; L52-I54 HydrophobicContact CG-CG1 3.9Å; L52-H76 HydrophobicContact CD1-CB 3.74Å; L52-I78 HydrophobicContact CD1-CD1 3.95Å; L52-I78 HydrophobicContact CD1-CG1 4.05Å; L52-I78 HydrophobicContact CD2-CD1 4.2Å; L52-F134 HydrophobicContact CD1-CE1 4.21Å; L52-F134 HydrophobicContact CD1-CZ 4.05Å; L52-F134 HydrophobicContact CD2-CE1 3.89Å; L52-Y135 HydrophobicContact CD2-CD1 3.73Å; L52-Y135 HydrophobicContact CD2-CE1 3.72Å; L52-F138 HydrophobicContact CB-CB 4.45Å; L52-F138 HydrophobicContact CB-CD1 3.7Å; L52-F138 HydrophobicContact CB-CD2 3.84Å; L52-F138 HydrophobicContact CB-CE1 3.84Å; L52-F138 HydrophobicContact CB-CE2 3.96Å; L52-F138 HydrophobicContact CB-CG 3.71Å; L52-F138 HydrophobicContact CB-CZ 3.97Å; L52-F138 HydrophobicContact CD1-CE1 4.42Å; L52-F138 HydrophobicContact CD1-CE2 4.22Å; L52-F138 HydrophobicContact CD1-CZ 3.97Å; L52-F138 HydrophobicContact CD2-CD2 4.06Å; L52-F138 HydrophobicContact CD2-CE2 3.92Å; L52-F138 HydrophobicContact CD2-CZ 4.48Å; L52-F138 HydrophobicContact CG-CD2 4.47Å; L52-F138 HydrophobicContact CG-CE2 4.26Å; L52-F138 HydrophobicContact CG-CZ 4.36Å; L52-I140 PolarHBondContact N-O 3.24Å; L52-I141 HydrophobicContact CB-CG1 4.15Å; L52-I141 HydrophobicContact CB-CG2 4.41Å; L52-I141 HydrophobicContact CD2-CD1 4.11Å; L52-I141 HydrophobicContact CD2-CG1 4.39Å; L52-I141 HydrophobicContact CD2-CG2 4.26Å; L52-I141 HydrophobicContact CG-CG2 4.47Å; L52-I141 CarbonylContact O-C 3.52Å; L52-I141 WeakPolarHBondContact O-CA 3.45Å; L52-V142 PolarHBondContact O-N 3.47Å
53V98.9Very high97.2Very high0 Ų022.9 Ų22.90%012%0.124CC..EExtended strand (participates in β ladder)trans-103122.6168-178.30000108.9L63 L64 L67 I75 H76 V77 I78 V142V53-L63 HydrophobicContact CG1-CB 4.23Å; V53-L63 HydrophobicContact CG1-CD1 4.18Å; V53-L64 HydrophobicContact CB-CD2 4.01Å; V53-L64 HydrophobicContact CG1-CD2 4.36Å; V53-L64 HydrophobicContact CG1-CG 4.38Å; V53-L64 HydrophobicContact CG2-CD2 3.84Å; V53-L67 HydrophobicContact CG2-CD1 3.6Å; V53-I75 HydrophobicContact CG2-CG2 4.05Å; V53-H76 PolarHBondContact N-O 2.97Å; V53-V77 VanDerWaalsContact O-CA 3.3Å; V53-V77 WeakPolarHBondContact O-CA 3.36Å; V53-I78 PolarHBondContact O-N 3.23Å; V53-V142 CarbonylContact C-O 3.51Å; V53-V142 WeakPolarHBondContact CA-O 3.39Å
54I98.8Very high97.4Very high1 Ų116.8 Ų16.81%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-104.7116.9177.9-57.2179.9000109L52 I127 Y135 I141 V142 G144 L145 I154L52-I54 HydrophobicContact CD2-CD1 4Å; L52-I54 HydrophobicContact CD2-CG1 3.87Å; L52-I54 HydrophobicContact CG-CG1 3.9Å; I54-I127 HydrophobicContact CD1-CG2 4.28Å; I54-I127 HydrophobicContact CG2-CG2 3.4Å; I54-I127 VanDerWaalsContact CG2-CG2 3.4Å; I54-Y135 HydrophobicContact CD1-CE1 4.44Å; I54-I141 HydrophobicContact CD1-CG2 3.61Å; I54-I141 HydrophobicContact CG1-CG2 4.06Å; I54-V142 PolarHBondContact N-O 3.32Å; I54-G144 PolarHBondContact O-N 3.27Å; I54-L145 HydrophobicContact CG2-CD1 4.14Å; I54-L145 HydrophobicContact CG2-CD2 3.56Å; I54-L145 HydrophobicContact CG2-CG 3.89Å; I54-I154 HydrophobicContact CD1-CB 4.47Å; I54-I154 HydrophobicContact CD1-CD1 3.71Å; I54-I154 HydrophobicContact CD1-CG1 3.7Å
55G97.8Very high97.4Very high7 Ų716 Ų167%0.0729%0.093CC..  trans92.5131.7-17100000111.6G60 I78G55-G60 WeakPolarHBondContact O-CA 3.3Å; G55-I78 WeakPolarHBondContact CA-O 3.42Å; G55-I78 PolarHBondContact N-O 3.23Å
56A96.5Very high97.5Very high0 Ų017.2 Ų17.20%010%0.099CC..  trans-111.13.6175.500000112.1C61 V77 D79 K103 A107A56-C61 PolarHBondContact O-SG 3.37Å; A56-V77 HydrophobicContact CB-CG2 4.01Å; A56-D79 WeakPolarHBondContact CA-OD2 3.32Å; A56-D79 HydrophobicContact CB-CB 3.72Å; A56-D79 PolarHBondContact N-OD2 3.19Å; A56-K103 HydrophobicContact CB-CB 4.01Å; A56-A107 HydrophobicContact CB-CB 4.33Å
57G91.3Very high97.6Very high19 Ų1916.1 Ų16.120%0.1969%0.093CC..SBendtrans-86.3131.9174.700000113.1L59 G60G57-L59 PolarHBondContact O-N 2.74Å; G57-G60 PolarHBondContact O-N 3.31Å
58G92.4Very high97.7Very high2 Ų213.4 Ų13.42%0.0217%0.074CC..THydrogen-bonded Turntrans56.4-94.7169.900000112.8G60 C61 E62G58-G60 VanDerWaalsContact C-N 3.27Å; G58-G60 PolarHBondContact O-N 2.9Å; G58-C61 WeakPolarHBondContact O-CB 3.21Å; G58-C61 PolarHBondContact O-N 2.95Å; G58-E62 PolarHBondContact O-N 3.14Å
59L95.9Very high97.8Very high6 Ų615 Ų153%0.0318%0.08CC..Hα-helixtrans-46.4-47.5168.1-73178.4000112.7G57 C61 E62 L63 G180 T182 N296 I299 A300G57-L59 PolarHBondContact O-N 2.74Å; L59-C61 PolarHBondContact O-N 3.44Å; L59-E62 PolarHBondContact O-N 3.23Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 VanDerWaalsContact O-CG 3.25Å; L59-L63 WeakPolarHBondContact O-CG 3.35Å; L59-L63 PolarHBondContact O-N 3.1Å; L59-G180 WeakPolarHBondContact CD1-O 3.24Å; L59-T182 HydrophobicContact CD1-CG2 4.17Å; L59-T182 HydrophobicContact CD2-CG2 3.83Å; L59-T182 HydrophobicContact CG-CG2 4.11Å; L59-N296 HydrophobicContact CD2-CB 4.37Å; L59-N296 WeakPolarHBondContact CD2-O 3.47Å; L59-N296 WeakPolarHBondContact CG-OD1 3.44Å; L59-N296 PolarHBondContact N-OD1 3.05Å; L59-I299 HydrophobicContact CD2-CB 3.82Å; L59-I299 HydrophobicContact CD2-CG2 3.75Å; L59-A300 HydrophobicContact CD2-CB 4.06Å
60G98.1Very high97.8Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-58.4-45.8-178.800000113.6G55 G57 G58 E62 L63 L64G55-G60 WeakPolarHBondContact O-CA 3.3Å; G57-G60 PolarHBondContact O-N 3.31Å; G58-G60 VanDerWaalsContact C-N 3.27Å; G58-G60 PolarHBondContact O-N 2.9Å; G60-E62 PolarHBondContact O-N 3.1Å; G60-L63 PolarHBondContact O-N 2.89Å; G60-L64 VanDerWaalsContact O-CG 3.25Å; G60-L64 WeakPolarHBondContact O-CG 3.15Å; G60-L64 PolarHBondContact O-N 2.9Å
61C98.5Very high97.7Very high0 Ų013.3 Ų13.30%08%0.076CC..Hα-helixtrans-58.7-46.3175.6-75.90000112.1A56 G58 L59 K65 F92 L93A56-C61 PolarHBondContact O-SG 3.37Å; G58-C61 WeakPolarHBondContact O-CB 3.21Å; G58-C61 PolarHBondContact O-N 2.95Å; L59-C61 PolarHBondContact O-N 3.44Å; C61-K65 PolarHBondContact O-N 2.86Å; C61-F92 HydrophobicContact CB-CD1 4.4Å; C61-F92 HydrophobicContact CB-CE1 4Å; C61-F92 HydrophobicContact CB-CZ 4.41Å; C61-L93 HydrophobicContact CB-CD1 3.91Å; C61-L93 HydrophobicContact CB-CG 3.81Å
62E98.8Very high97.7Very high23 Ų2313.3 Ų13.311%0.1078%0.077CC..Hα-helixtrans-66.5-43.9178.7-77.7-7016700112G58 L59 G60 L64 K65 N66 F92 A297 A300G58-E62 PolarHBondContact O-N 3.14Å; L59-E62 PolarHBondContact O-N 3.23Å; G60-E62 PolarHBondContact O-N 3.1Å; E62-L64 PolarHBondContact O-N 3.45Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact OE2-CE 3.5Å; E62-K65 IonicContact OE2-NZ 2.76Å; E62-K65 PolarHBondContact OE2-NZ 3.26Å; E62-N66 WeakPolarHBondContact O-CB 3.41Å; E62-N66 PolarHBondContact O-N 2.91Å; E62-N66 PolarHBondContact O-ND2 3.47Å; E62-N66 PolarHBondContact O-OD1 2.86Å; E62-F92 HydrophobicContact CG-CE1 3.92Å; E62-F92 WeakPolarHBondContact OE1-CE1 3.4Å; E62-A297 HydrophobicContact CG-CB 4.28Å; E62-A300 HydrophobicContact CB-CB 3.3Å; E62-A300 HydrophobicContact CG-CB 4.34Å
63L98.9Very high97.7Very high1 Ų115.6 Ų15.61%0.0059%0.085CC..Hα-helixtrans-57.6-50177.8-78.4171.7000111.2V53 L59 G60 K65 N66 L67 V142 A300 C303 A304V53-L63 HydrophobicContact CG1-CB 4.23Å; V53-L63 HydrophobicContact CG1-CD1 4.18Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 VanDerWaalsContact O-CG 3.25Å; L59-L63 WeakPolarHBondContact O-CG 3.35Å; L59-L63 PolarHBondContact O-N 3.1Å; G60-L63 PolarHBondContact O-N 2.89Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.06Å; L63-N66 PolarHBondContact O-N 3.39Å; L63-N66 VanDerWaalsContact O-N 3.12Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.09Å; L63-V142 HydrophobicContact CD1-CB 4.46Å; L63-V142 HydrophobicContact CD1-CG1 3.66Å; L63-V142 HydrophobicContact CD2-CG1 3.69Å; L63-V142 HydrophobicContact CG-CG1 4.3Å; L63-A300 HydrophobicContact CD2-CB 4.15Å; L63-A300 HydrophobicContact CG-CB 4.01Å; L63-C303 HydrophobicContact CD2-CB 3.69Å; L63-A304 HydrophobicContact CD2-CB 4.34Å
64L98.9Very high97.6Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-61.1-43.3-179.3-67.5167.4000112V53 G60 E62 A68 I75 V77 L93 A107 L111 V120V53-L64 HydrophobicContact CB-CD2 4.01Å; V53-L64 HydrophobicContact CG1-CD2 4.36Å; V53-L64 HydrophobicContact CG1-CG 4.38Å; V53-L64 HydrophobicContact CG2-CD2 3.84Å; G60-L64 VanDerWaalsContact O-CG 3.25Å; G60-L64 WeakPolarHBondContact O-CG 3.15Å; G60-L64 PolarHBondContact O-N 2.9Å; E62-L64 PolarHBondContact O-N 3.45Å; L64-A68 WeakPolarHBondContact O-CB 3.27Å; L64-A68 PolarHBondContact O-N 3.44Å; L64-I75 HydrophobicContact CD2-CG2 3.59Å; L64-V77 HydrophobicContact CD1-CB 4.48Å; L64-V77 HydrophobicContact CD1-CG2 4.18Å; L64-V77 HydrophobicContact CD2-CB 4.18Å; L64-L93 HydrophobicContact CD1-CD1 4.22Å; L64-A107 HydrophobicContact CD1-CB 3.93Å; L64-L111 HydrophobicContact CB-CD2 3.24Å; L64-L111 HydrophobicContact CB-CG 4.41Å; L64-L111 HydrophobicContact CD1-CD2 3.7Å; L64-L111 HydrophobicContact CD2-CD2 4.48Å; L64-L111 HydrophobicContact CG-CD2 4Å; L64-V120 HydrophobicContact CD2-CG1 4.23Å
65K98.8Very high97.6Very high58 Ų5818.7 Ų18.725%0.25210%0.099SC..Hα-helixtrans-57.5-50.2171.8170.6-174.958.374.40111C61 E62 L63 L67 A68 L69 F92C61-K65 PolarHBondContact O-N 2.86Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact OE2-CE 3.5Å; E62-K65 IonicContact OE2-NZ 2.76Å; E62-K65 PolarHBondContact OE2-NZ 3.26Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.06Å; K65-L67 PolarHBondContact O-N 3.32Å; K65-A68 PolarHBondContact O-N 3.41Å; K65-L69 HydrophobicContact CG-CD1 3.87Å; K65-L69 WeakPolarHBondContact O-CB 3.24Å; K65-L69 WeakPolarHBondContact O-CG 3.49Å; K65-L69 PolarHBondContact O-N 3.39Å; K65-F92 HydrophobicContact CB-CZ 4.04Å; K65-F92 HydrophobicContact CD-CE2 4.22Å; K65-F92 HydrophobicContact CD-CZ 3.88Å
66N98.9Very high97.7Very high25 Ų2519 Ų1913%0.13410%0.099CC..Hα-helixtrans-64.2-41.4-174-68.3-16.3000112E62 L63 S70 A300 A301 A304E62-N66 WeakPolarHBondContact O-CB 3.41Å; E62-N66 PolarHBondContact O-N 2.91Å; E62-N66 PolarHBondContact O-ND2 3.47Å; E62-N66 PolarHBondContact O-OD1 2.86Å; L63-N66 PolarHBondContact O-N 3.39Å; L63-N66 VanDerWaalsContact O-N 3.12Å; N66-S70 VanDerWaalsContact O-CB 3.28Å; N66-S70 WeakPolarHBondContact O-CB 3.34Å; N66-S70 PolarHBondContact O-N 3.03Å; N66-S70 VanDerWaalsContact O-N 3.17Å; N66-S70 PolarHBondContact O-OG 3.18Å; N66-A300 PolarHBondContact ND2-O 3.26Å; N66-A301 PolarHBondContact ND2-N 3.17Å; N66-A304 HydrophobicContact CB-CB 3.37Å
67L98.9Very high97.8Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-68.7-48.3177.7-66.7172.9000111V51 V53 L63 K65 L69 S70 G71 F72 I75 A304 V307V51-L67 HydrophobicContact CG1-CD1 3.93Å; V53-L67 HydrophobicContact CG2-CD1 3.6Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 VanDerWaalsContact O-CG 3.26Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.09Å; K65-L67 PolarHBondContact O-N 3.32Å; L67-L69 VanDerWaalsContact C-N 3.26Å; L67-L69 PolarHBondContact O-N 3Å; L67-S70 WeakPolarHBondContact O-CA 3.45Å; L67-S70 PolarHBondContact O-N 3.19Å; L67-G71 PolarHBondContact O-N 3.16Å; L67-F72 HydrophobicContact CB-CB 4.27Å; L67-F72 HydrophobicContact CB-CD2 4.18Å; L67-F72 HydrophobicContact CB-CG 4.47Å; L67-F72 HydrophobicContact CD2-CD2 3.93Å; L67-F72 HydrophobicContact CD2-CE2 4.02Å; L67-F72 WeakPolarHBondContact O-CD2 3.25Å; L67-F72 PolarHBondContact O-N 3.11Å; L67-I75 HydrophobicContact CB-CD1 3.86Å; L67-A304 HydrophobicContact CD2-CB 4.22Å; L67-V307 HydrophobicContact CD2-CB 3.83Å; L67-V307 HydrophobicContact CD2-CG1 3.52Å; L67-V307 HydrophobicContact CD2-CG2 4.29Å
68A98.6Very high98.2Very high2 Ų218.2 Ų18.22%0.0179%0.09CC..Hα-helixtrans-60.9-35.2-179.800000112.8W17 L64 K65 S70 I75 I115 C118W17-A68 WeakPolarHBondContact CH2-O 3.33Å; L64-A68 WeakPolarHBondContact O-CB 3.27Å; L64-A68 PolarHBondContact O-N 3.44Å; K65-A68 PolarHBondContact O-N 3.41Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-I75 HydrophobicContact CB-CD1 4.25Å; A68-I115 HydrophobicContact CB-CD1 3.38Å; A68-I115 HydrophobicContact CB-CG2 4.31Å; A68-C118 VanDerWaalsContact CB-SG 3.56Å
69L98.6Very high98.4Very high103 Ų10318.7 Ų18.754%0.5399%0.093SC..THydrogen-bonded Turntrans-82.1-7.8174.8-66.1176.4000114K65 L67 I115K65-L69 HydrophobicContact CG-CD1 3.87Å; K65-L69 WeakPolarHBondContact O-CB 3.24Å; K65-L69 WeakPolarHBondContact O-CG 3.49Å; K65-L69 PolarHBondContact O-N 3.39Å; L67-L69 VanDerWaalsContact C-N 3.26Å; L67-L69 PolarHBondContact O-N 3Å; L69-I115 HydrophobicContact CD2-CD1 4.1Å; L69-I115 HydrophobicContact CD2-CG1 4.45Å; L69-I115 HydrophobicContact CG-CD1 4.11Å
70S98.7Very high98.5Very high32 Ų3223 Ų2322%0.22411%0.113CC..THydrogen-bonded Turntrans-98.95176.6-620000113.5N66 L67 A68N66-S70 VanDerWaalsContact O-CB 3.28Å; N66-S70 WeakPolarHBondContact O-CB 3.34Å; N66-S70 PolarHBondContact O-N 3.03Å; N66-S70 VanDerWaalsContact O-N 3.17Å; N66-S70 PolarHBondContact O-OG 3.18Å; L67-S70 WeakPolarHBondContact O-CA 3.45Å; L67-S70 PolarHBondContact O-N 3.19Å; A68-S70 VanDerWaalsContact C-N 3.33Å
71G97.5Very high98.4Very high0 Ų025.5 Ų25.50%013%0.127CC..THydrogen-bonded Turntrans1022.8175.300000115L45 L46 L67L45-G71 CarbonylContact C-O 3.2Å; L46-G71 WeakPolarHBondContact CA-O 3.43Å; L46-G71 WeakPolarHBondContact CD2-O 3.31Å; L46-G71 PolarHBondContact N-O 3.41Å; L67-G71 PolarHBondContact O-N 3.16Å
72F98.6Very high98.3Very high1 Ų128.9 Ų28.90%0.00415%0.148CC..  trans-82.3129.5174.9-62.8-89.5000110.6L45 C49 V51 L67 I75 V307 F308 A311L45-F72 HydrophobicContact CD2-CD1 4.06Å; L45-F72 HydrophobicContact CD2-CE1 3.47Å; L45-F72 VanDerWaalsContact CD2-CE1 3.47Å; L45-F72 HydrophobicContact CD2-CE2 4.24Å; L45-F72 HydrophobicContact CD2-CZ 3.57Å; C49-F72 HydrophobicContact CB-CD1 4.35Å; C49-F72 HydrophobicContact CB-CE1 4.4Å; V51-F72 HydrophobicContact CG2-CD1 3.52Å; V51-F72 HydrophobicContact CG2-CE1 3.72Å; V51-F72 HydrophobicContact CG2-CG 4.38Å; L67-F72 HydrophobicContact CB-CB 4.27Å; L67-F72 HydrophobicContact CB-CD2 4.18Å; L67-F72 HydrophobicContact CB-CG 4.47Å; L67-F72 HydrophobicContact CD2-CD2 3.93Å; L67-F72 HydrophobicContact CD2-CE2 4.02Å; L67-F72 WeakPolarHBondContact O-CD2 3.25Å; L67-F72 PolarHBondContact O-N 3.11Å; F72-I75 HydrophobicContact CB-CD1 4.02Å; F72-I75 HydrophobicContact CB-CG1 4.08Å; F72-V307 HydrophobicContact CE1-CG1 4.15Å; F72-V307 HydrophobicContact CE2-CG1 4.22Å; F72-V307 HydrophobicContact CZ-CG1 3.75Å; F72-F308 HydrophobicContact CE2-CB 4.4Å; F72-F308 HydrophobicContact CE2-CD2 4.27Å; F72-A311 HydrophobicContact CE1-CB 3.75Å; F72-A311 HydrophobicContact CZ-CB 3.7Å
73R98.1Very high98.3Very high48 Ų4828 Ų2818%0.18114%0.144CC..  trans-111.4-39.9174.6-66.1-176.7171171.4-0.7113.7D12 L46 I75 N117 A119D12-R73 IonicContact OD1-NH2 3.82Å; D12-R73 PolarHBondContact OD1-NH2 3.5Å; D12-R73 IonicContact OD2-CZ 2.8Å; D12-R73 IonicContact OD2-NH1 3.52Å; D12-R73 IonicContact OD2-NH2 3.83Å; D12-R73 PolarHBondContact OD2-NH2 2.92Å; L46-R73 HydrophobicContact CD2-CG 4.01Å; L46-R73 WeakPolarHBondContact O-CB 3.24Å; L46-R73 VanDerWaalsContact O-CD 3.26Å; L46-R73 WeakPolarHBondContact O-CD 3.39Å; R73-I75 VanDerWaalsContact C-N 3.25Å; R73-I75 PolarHBondContact O-N 3.14Å; R73-N117 WeakPolarHBondContact CD-O 2.9Å; R73-N117 WeakPolarHBondContact CG-O 3.44Å; R73-N117 PolarHBondContact NE-O 2.97Å; R73-N117 PolarHBondContact NH2-ND2 3.02Å; R73-A119 CarbonylContact O-C 3.52Å; R73-A119 VanDerWaalsContact O-C 3.3Å; R73-A119 WeakPolarHBondContact O-CA 3.17Å; R73-A119 WeakPolarHBondContact O-CB 3.45Å; R73-A119 PolarHBondContact O-N 3.39Å; R73-A119 VanDerWaalsContact O-O 3.13Å
74Q98.1Very high98.1Very high65 Ų6530.7 Ų30.730%0.30416%0.158SC..EExtended strand (participates in β ladder)trans-81.773.2-176.9-56.2-66.46.600109.9S47 K50 V51S47-Q74 PolarHBondContact O-NE2 2.9Å; K50-Q74 WeakPolarHBondContact CA-O 3.48Å; K50-Q74 HydrophobicContact CG-CB 4.05Å; V51-Q74 PolarHBondContact N-O 3.31Å
75I98.8Very high97.8Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-108.8130.8-175.6-55.8171.7000108.6V51 V53 L64 L67 A68 F72 R73 V120 V121V51-I75 CarbonylContact O-C 3.41Å; V51-I75 WeakPolarHBondContact O-CA 3.33Å; V53-I75 HydrophobicContact CG2-CG2 4.05Å; L64-I75 HydrophobicContact CD2-CG2 3.59Å; L67-I75 HydrophobicContact CB-CD1 3.86Å; A68-I75 HydrophobicContact CB-CD1 4.25Å; F72-I75 HydrophobicContact CB-CD1 4.02Å; F72-I75 HydrophobicContact CB-CG1 4.08Å; R73-I75 VanDerWaalsContact C-N 3.25Å; R73-I75 PolarHBondContact O-N 3.14Å; I75-V120 HydrophobicContact CB-CG2 4.35Å; I75-V120 CarbonylContact O-C 3.59Å; I75-V120 VanDerWaalsContact O-CA 3.23Å; I75-V120 WeakPolarHBondContact O-CA 3.37Å; I75-V121 PolarHBondContact O-N 3.22Å
76H98.9Very high97.5Very high14 Ų1435.4 Ų35.47%0.06519%0.194CC..EExtended strand (participates in β ladder)trans-110.8144.7171.9-69.2-131.7000108.5V51 L52 V53 V121 Y123 F138V51-H76 PolarHBondContact O-N 3.27Å; L52-H76 HydrophobicContact CD1-CB 3.74Å; V53-H76 PolarHBondContact N-O 2.97Å; H76-V121 CarbonylContact C-O 3.49Å; H76-V121 WeakPolarHBondContact CA-O 3.42Å; H76-Y123 HydrophobicContact CB-CD2 4.48Å; H76-Y123 HydrophobicContact CB-CE2 3.91Å; H76-Y123 PolarHBondContact CE1-OH 3.27Å; H76-Y123 AromaticContact CG-CE2 3.9Å; H76-Y123 AromaticContact ND1-CE2 3.24Å; H76-Y123 WeakPolarHBondContact ND1-CE2 3.48Å; H76-Y123 AromaticContact ND1-CZ 3.55Å; H76-Y123 PolarHBondContact ND1-OH 3.12Å; H76-F138 HydrophobicContact CB-CE1 3.6Å; H76-F138 HydrophobicContact CB-CZ 3.69Å; H76-F138 AromaticContact CD2-CE1 3.67Å; H76-F138 AromaticContact CG-CE1 3.47Å; H76-F138 VanDerWaalsContact CG-CE1 3.47Å; H76-F138 AromaticContact CG-CZ 3.64Å; H76-F138 AromaticContact ND1-CE1 3.94Å; H76-F138 AromaticContact ND1-CZ 3.73Å
77V98.8Very high97.3Very high0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-128127176.262.30000111.2V53 A56 L64 A104 V120 V121 A122 Y123V53-V77 VanDerWaalsContact O-CA 3.3Å; V53-V77 WeakPolarHBondContact O-CA 3.36Å; A56-V77 HydrophobicContact CB-CG2 4.01Å; L64-V77 HydrophobicContact CD1-CB 4.48Å; L64-V77 HydrophobicContact CD1-CG2 4.18Å; L64-V77 HydrophobicContact CD2-CB 4.18Å; V77-A104 HydrophobicContact CG1-CB 4.3Å; V77-V120 HydrophobicContact CB-CG1 4.48Å; V77-V120 HydrophobicContact CG1-CG1 3.87Å; V77-V121 PolarHBondContact N-O 3.41Å; V77-A122 HydrophobicContact CG1-CB 4.2Å; V77-Y123 PolarHBondContact O-N 2.76Å
78I98.7Very high97.2Very high3 Ų337.2 Ų37.22%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-108.9128.4171.3-66.6168.6000108.8L52 V53 G55 Y123 K125 I127 M130 F134 Y135L52-I78 HydrophobicContact CD1-CD1 3.95Å; L52-I78 HydrophobicContact CD1-CG1 4.05Å; L52-I78 HydrophobicContact CD2-CD1 4.2Å; V53-I78 PolarHBondContact O-N 3.23Å; G55-I78 WeakPolarHBondContact CA-O 3.42Å; G55-I78 PolarHBondContact N-O 3.23Å; I78-Y123 WeakPolarHBondContact CA-O 3.24Å; I78-Y123 HydrophobicContact CG1-CD2 4.24Å; I78-Y123 HydrophobicContact CG1-CG 4.25Å; I78-K125 WeakPolarHBondContact CG2-O 3.27Å; I78-I127 HydrophobicContact CG2-CG2 4.05Å; I78-M130 HydrophobicContact CD1-CE 4.48Å; I78-M130 HydrophobicContact CD1-CG 3.91Å; I78-F134 HydrophobicContact CD1-CD1 4.45Å; I78-F134 HydrophobicContact CD1-CE1 3.46Å; I78-F134 VanDerWaalsContact CD1-CE1 3.46Å; I78-F134 HydrophobicContact CD1-CZ 3.79Å; I78-F134 HydrophobicContact CG1-CE1 4.49Å; I78-F134 HydrophobicContact CG1-CZ 4.38Å; I78-Y135 HydrophobicContact CD1-CE1 4.43Å
79D98.4Very high97Very high12 Ų1241.9 Ų41.96%0.06423%0.228CC..EExtended strand (participates in β ladder)trans-151.8138.6167.3-165.1-67.9000108.8A56 D81 K103 A104 Y123 F124 K125A56-D79 WeakPolarHBondContact CA-OD2 3.32Å; A56-D79 HydrophobicContact CB-CB 3.72Å; A56-D79 PolarHBondContact N-OD2 3.19Å; D79-D81 WeakPolarHBondContact OD1-CA 3.47Å; D79-D81 VanDerWaalsContact OD1-CB 3.27Å; D79-D81 WeakPolarHBondContact OD1-CB 3.35Å; D79-D81 PolarHBondContact OD1-N 3.37Å; D79-K103 HydrophobicContact CB-CB 4.35Å; D79-A104 HydrophobicContact CB-CB 4.03Å; D79-Y123 PolarHBondContact N-O 3.21Å; D79-F124 WeakPolarHBondContact O-CA 3.43Å; D79-F124 WeakPolarHBondContact O-CD2 3.43Å; D79-K125 CarbonylContact C-O 3.52Å; D79-K125 PolarHBondContact O-N 3.42Å
80M96.6Very high96.8Very high95 Ų9539.5 Ų39.547%0.46821%0.212SC..  trans-98.1-5.3-177.871.3178.2-177.300113.4F124 K125 K126M80-F124 VanDerWaalsContact C-CE2 3.49Å; M80-F124 WeakPolarHBondContact O-CE2 3.3Å; M80-K125 PolarHBondContact N-O 3.49Å; M80-K126 HydrophobicContact CB-CB 4.47Å; M80-K126 HydrophobicContact CB-CG 3.77Å; M80-K126 HydrophobicContact CG-CG 4.29Å; M80-K126 HydrophobicContact SD-CB 4.29Å; M80-K126 HydrophobicContact SD-CD 3.74Å; M80-K126 HydrophobicContact SD-CG 3.58Å; M80-K126 VanDerWaalsContact SD-CG 3.58Å
81D96.6Very high96.8Very high53 Ų5338.2 Ų38.228%0.28320%0.203SC..PPolyproline II helixtrans-95156.4-173.1-60.7-21.2000111.9D79 K103D79-D81 WeakPolarHBondContact OD1-CA 3.47Å; D79-D81 VanDerWaalsContact OD1-CB 3.27Å; D79-D81 WeakPolarHBondContact OD1-CB 3.35Å; D79-D81 PolarHBondContact OD1-N 3.37Å; D81-K103 HydrophobicContact CB-CD 3.84Å; D81-K103 HydrophobicContact CB-CG 4.38Å; D81-K103 VanDerWaalsContact CB-NZ 3.26Å; D81-K103 PolarHBondContact O-N 2.76Å; D81-K103 IonicContact OD2-NZ 2.79Å; D81-K103 PolarHBondContact OD2-NZ 3.09Å
82T97.3Very high96.8Very high72 Ų7241.5 Ų41.544%0.44222%0.217SC..BIsolated β-bridgetrans-94.1157.9164.652.80000111.1D84 R101 K103 F124T82-D84 PolarHBondContact O-N 2.76Å; T82-R101 CarbonylContact C-O 3.5Å; T82-R101 WeakPolarHBondContact CA-O 3.49Å; T82-K103 VanDerWaalsContact O-CE 3.3Å; T82-K103 WeakPolarHBondContact O-CE 3.47Å; T82-F124 HydrophobicContact CG2-CE2 4.38Å; T82-F124 HydrophobicContact CG2-CZ 4.04Å
83I97.8Very high96.8Very high4 Ų441.5 Ų41.52%0.02122%0.217CC..PPolyproline II helixtrans-72.2126.4179.7-63.5162000110L88 F94 D98 V99 G100 R101 K103 V106I83-L88 HydrophobicContact CG2-CD2 4.43Å; I83-F94 HydrophobicContact CD1-CB 4.08Å; I83-F94 HydrophobicContact CD1-CD1 3.52Å; I83-F94 HydrophobicContact CD1-CD2 4.32Å; I83-F94 HydrophobicContact CD1-CE1 4.03Å; I83-F94 HydrophobicContact CD1-CG 3.71Å; I83-F94 HydrophobicContact CG1-CB 4.41Å; I83-F94 HydrophobicContact CG1-CD1 4.02Å; I83-F94 HydrophobicContact CG1-CD2 3.96Å; I83-F94 HydrophobicContact CG1-CE1 4.32Å; I83-F94 HydrophobicContact CG1-CE2 4.26Å; I83-F94 HydrophobicContact CG1-CG 3.86Å; I83-F94 HydrophobicContact CG1-CZ 4.44Å; I83-F94 HydrophobicContact CG2-CB 4Å; I83-F94 HydrophobicContact CG2-CD2 4.32Å; I83-F94 HydrophobicContact CG2-CG 4.24Å; I83-D98 HydrophobicContact CD1-CB 3.73Å; I83-D98 WeakPolarHBondContact CD1-O 3.24Å; I83-V99 HydrophobicContact CG2-CG2 4.38Å; I83-G100 PolarHBondContact O-N 3.36Å; I83-R101 HydrophobicContact CD1-CB 4.42Å; I83-R101 WeakPolarHBondContact CG1-O 3.17Å; I83-R101 PolarHBondContact N-O 2.99Å; I83-K103 HydrophobicContact CG1-CB 4.44Å; I83-K103 HydrophobicContact CG1-CG 3.73Å; I83-V106 HydrophobicContact CD1-CB 3.77Å; I83-V106 HydrophobicContact CD1-CG1 4.02Å; I83-V106 HydrophobicContact CD1-CG2 3.63Å
84D94Very high96.8Very high57 Ų5739.4 Ų39.431%0.30521%0.209SC..  trans-108.2155172.7179.6-103.1000111.7T82 S86 N87T82-D84 PolarHBondContact O-N 2.76Å; D84-S86 PolarHBondContact O-N 2.98Å; D84-S86 WeakPolarHBondContact OD1-CB 3.39Å; D84-S86 PolarHBondContact OD1-N 2.97Å; D84-S86 PolarHBondContact OD1-OG 3.05Å; D84-N87 PolarHBondContact N-OD1 2.69Å; D84-N87 WeakPolarHBondContact O-CB 3.48Å; D84-N87 PolarHBondContact O-N 3.02Å
85V93.4Very high96.9Very high97 Ų9741 Ų4159%0.58821%0.212SC*.G310 helixtrans-57.4-37.1179178.60000111.8N87 L88 V99V85-N87 PolarHBondContact O-N 3.13Å; V85-N87 VanDerWaalsContact O-N 3.11Å; V85-L88 WeakPolarHBondContact O-CG 3.27Å; V85-L88 PolarHBondContact O-N 3.01Å; V85-V99 HydrophobicContact CG2-CG1 4.02Å; V85-V99 HydrophobicContact CG2-CG2 4.04Å
86S92.4Very high96.8Very high61 Ų6145.8 Ų45.843%0.42724%0.243SC..G310 helixtrans-65-12.817870.80000113.8D84 N89 R90D84-S86 PolarHBondContact O-N 2.98Å; D84-S86 WeakPolarHBondContact OD1-CB 3.39Å; D84-S86 PolarHBondContact OD1-N 2.97Å; D84-S86 PolarHBondContact OD1-OG 3.05Å; S86-N89 PolarHBondContact O-OD1 2.72Å; S86-R90 PolarHBondContact O-NH1 2.99Å
87N95.6Very high96.8Very high11 Ų1153.1 Ų53.16%0.05928%0.275CS..G310 helixtrans-77.9-28.6178.3-60.9170.2000112D84 V85 N89 R90 Q91 K103D84-N87 PolarHBondContact N-OD1 2.69Å; D84-N87 WeakPolarHBondContact O-CB 3.48Å; D84-N87 PolarHBondContact O-N 3.02Å; V85-N87 PolarHBondContact O-N 3.13Å; V85-N87 VanDerWaalsContact O-N 3.11Å; N87-N89 PolarHBondContact O-N 2.96Å; N87-R90 PolarHBondContact O-N 3.12Å; N87-R90 VanDerWaalsContact O-N 3.15Å; N87-Q91 HydrophobicContact CB-CB 4.28Å; N87-Q91 HydrophobicContact CB-CG 4.05Å; N87-Q91 VanDerWaalsContact O-CB 3.32Å; N87-Q91 WeakPolarHBondContact O-CB 3.49Å; N87-Q91 VanDerWaalsContact O-CG 3.31Å; N87-Q91 WeakPolarHBondContact O-CG 3.39Å; N87-Q91 PolarHBondContact O-N 2.57Å; N87-K103 VanDerWaalsContact OD1-CE 3.22Å; N87-K103 WeakPolarHBondContact OD1-CE 3.45Å
88L96.9Very high96.8Very high52 Ų5253.6 Ų53.627%0.27228%0.278SS..THydrogen-bonded Turntrans-67-14.9-168.3-56.8-178.4000114.2I83 V85 R90 F94 P96 V99I83-L88 HydrophobicContact CG2-CD2 4.43Å; V85-L88 WeakPolarHBondContact O-CG 3.27Å; V85-L88 PolarHBondContact O-N 3.01Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 2.83Å; L88-F94 HydrophobicContact CD2-CB 3.83Å; L88-P96 HydrophobicContact CD1-CB 4.35Å; L88-P96 HydrophobicContact CD1-CG 4.02Å; L88-V99 HydrophobicContact CD1-CG2 4.35Å
89N93.6Very high96.7Very high99 Ų9956.3 Ų56.353%0.52929%0.294SS..THydrogen-bonded Turntrans-72.2-17.9176.581.1-40.6000113.7S86 N87 A291S86-N89 PolarHBondContact O-OD1 2.72Å; N87-N89 PolarHBondContact O-N 2.96Å; N89-A291 PolarHBondContact ND2-O 2.83Å
90R95Very high96.6Very high53 Ų5358.2 Ų58.220%0.232%0.316CS..THydrogen-bonded Turntrans-143.1-19.9-173.369.8-167.3176.7-80.16.1114.8S86 N87 L88 F92 A293S86-R90 PolarHBondContact O-NH1 2.99Å; N87-R90 PolarHBondContact O-N 3.12Å; N87-R90 VanDerWaalsContact O-N 3.15Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 2.83Å; R90-F92 PolarHBondContact O-N 3.16Å; R90-A293 HydrophobicContact CB-CB 4.16Å
91Q97.6Very high96.7Very high6 Ų657.7 Ų57.73%0.02831%0.309CS..  trans-97.774.3-176.3-52.4-172.16.500109.5N87 L93 F94N87-Q91 HydrophobicContact CB-CB 4.28Å; N87-Q91 HydrophobicContact CB-CG 4.05Å; N87-Q91 VanDerWaalsContact O-CB 3.32Å; N87-Q91 WeakPolarHBondContact O-CB 3.49Å; N87-Q91 VanDerWaalsContact O-CG 3.31Å; N87-Q91 WeakPolarHBondContact O-CG 3.39Å; N87-Q91 PolarHBondContact O-N 2.57Å; Q91-L93 PolarHBondContact O-N 3.41Å; Q91-F94 HydrophobicContact CB-CD2 3.52Å; Q91-F94 HydrophobicContact CB-CE2 3.79Å; Q91-F94 PolarHBondContact O-N 2.98Å
92F98.4Very high96.8Very high69 Ų6956.2 Ų56.230%0.30330%0.303SS..THydrogen-bonded Turntrans-67.6-4.1-166.268.4-91.2000115.4C61 E62 K65 R90 F94 R95C61-F92 HydrophobicContact CB-CD1 4.4Å; C61-F92 HydrophobicContact CB-CE1 4Å; C61-F92 HydrophobicContact CB-CZ 4.41Å; E62-F92 HydrophobicContact CG-CE1 3.92Å; E62-F92 WeakPolarHBondContact OE1-CE1 3.4Å; K65-F92 HydrophobicContact CB-CZ 4.04Å; K65-F92 HydrophobicContact CD-CE2 4.22Å; K65-F92 HydrophobicContact CD-CZ 3.88Å; R90-F92 PolarHBondContact O-N 3.16Å; F92-F94 VanDerWaalsContact C-N 3.28Å; F92-R95 PolarHBondContact O-NH1 3.46Å; F92-R95 PolarHBondContact O-NH2 3.47Å
93L98.4Very high96.9Very high0 Ų053.3 Ų53.30%028%0.284CS..THydrogen-bonded Turntrans-77-19.2171.2-58.2-172.7000112.2C61 L64 Q91 A107 F110 L111C61-L93 HydrophobicContact CB-CD1 3.91Å; C61-L93 HydrophobicContact CB-CG 3.81Å; L64-L93 HydrophobicContact CD1-CD1 4.22Å; Q91-L93 PolarHBondContact O-N 3.41Å; L93-A107 HydrophobicContact CD1-CB 3.86Å; L93-F110 HydrophobicContact CD2-CD1 3.55Å; L93-F110 HydrophobicContact CD2-CE1 3.86Å; L93-F110 HydrophobicContact CD2-CG 4.21Å; L93-F110 WeakPolarHBondContact O-CD2 3.37Å; L93-L111 HydrophobicContact CD1-CD1 3.93Å; L93-L111 HydrophobicContact CD1-CD2 3.81Å; L93-L111 HydrophobicContact CD2-CD1 3.44Å; L93-L111 VanDerWaalsContact CD2-CD1 3.44Å; L93-L111 HydrophobicContact CG-CD1 4.35Å
94F98.6Very high96.9Very high4 Ų453.1 Ų53.12%0.01828%0.283CS..  trans-101.4149.5-174.4-48.6-38.3000111.6I83 L88 Q91 F92 K103 V106 A107I83-F94 HydrophobicContact CD1-CB 4.08Å; I83-F94 HydrophobicContact CD1-CD1 3.52Å; I83-F94 HydrophobicContact CD1-CD2 4.32Å; I83-F94 HydrophobicContact CD1-CE1 4.03Å; I83-F94 HydrophobicContact CD1-CG 3.71Å; I83-F94 HydrophobicContact CG1-CB 4.41Å; I83-F94 HydrophobicContact CG1-CD1 4.02Å; I83-F94 HydrophobicContact CG1-CD2 3.96Å; I83-F94 HydrophobicContact CG1-CE1 4.32Å; I83-F94 HydrophobicContact CG1-CE2 4.26Å; I83-F94 HydrophobicContact CG1-CG 3.86Å; I83-F94 HydrophobicContact CG1-CZ 4.44Å; I83-F94 HydrophobicContact CG2-CB 4Å; I83-F94 HydrophobicContact CG2-CD2 4.32Å; I83-F94 HydrophobicContact CG2-CG 4.24Å; L88-F94 HydrophobicContact CD2-CB 3.83Å; Q91-F94 HydrophobicContact CB-CD2 3.52Å; Q91-F94 HydrophobicContact CB-CE2 3.79Å; Q91-F94 PolarHBondContact O-N 2.98Å; F92-F94 VanDerWaalsContact C-N 3.28Å; F94-K103 HydrophobicContact CE1-CB 4.48Å; F94-K103 WeakPolarHBondContact CE1-O 3.35Å; F94-K103 HydrophobicContact CE2-CB 4.24Å; F94-K103 HydrophobicContact CE2-CD 4.19Å; F94-K103 HydrophobicContact CE2-CG 3.95Å; F94-K103 HydrophobicContact CZ-CB 3.77Å; F94-K103 HydrophobicContact CZ-CG 3.99Å; F94-V106 HydrophobicContact CD1-CB 4.02Å; F94-V106 HydrophobicContact CD1-CG1 3.72Å; F94-V106 HydrophobicContact CE1-CB 4.09Å; F94-V106 HydrophobicContact CE1-CG1 4.23Å; F94-A107 HydrophobicContact CE1-CB 4.03Å; F94-A107 HydrophobicContact CZ-CB 4.34Å
95R98.3Very high97.2Very high98 Ų9854.8 Ų54.837%0.3729%0.289SS..  trans-122.9164.6176.5-59.2-70.1175-95.4-0.6110.3F92 K97 D98F92-R95 PolarHBondContact O-NH1 3.46Å; F92-R95 PolarHBondContact O-NH2 3.47Å; R95-K97 HydrophobicContact CB-CG 3.93Å; R95-K97 PolarHBondContact O-N 3.21Å; R95-K97 VanDerWaalsContact O-N 3.1Å; R95-D98 WeakPolarHBondContact CA-OD2 3.48Å; R95-D98 VanDerWaalsContact CB-OD2 3.24Å; R95-D98 WeakPolarHBondContact CB-OD2 3.18Å; R95-D98 PolarHBondContact N-OD2 3.45Å; R95-D98 WeakPolarHBondContact O-CB 3.45Å; R95-D98 PolarHBondContact O-N 3.48Å
96P98.3Very high97.4Very high101 Ų10150.3 Ų50.366%0.65626%0.262SS*.G310 helixtrans-53.4-32.7176-28.335.4000114.1L88 D98 V99L88-P96 HydrophobicContact CD1-CB 4.35Å; L88-P96 HydrophobicContact CD1-CG 4.02Å; P96-D98 PolarHBondContact O-N 2.92Å; P96-V99 WeakPolarHBondContact O-CG2 3.48Å
97K98.2Very high97.7Very high169 Ų16947.4 Ų47.474%0.73524%0.242SC*.G310 helixtrans-69.6-14.3176.463167.4-172.11670114.5R95R95-K97 HydrophobicContact CB-CG 3.93Å; R95-K97 PolarHBondContact O-N 3.21Å; R95-K97 VanDerWaalsContact O-N 3.1Å
98D98.4Very high97.9Very high9 Ų947.2 Ų47.25%0.04824%0.241CC..G310 helixtrans-97.6-4-176-54.6-51.6000112.6I83 R95 P96 G100 R101 V106I83-D98 HydrophobicContact CD1-CB 3.73Å; I83-D98 WeakPolarHBondContact CD1-O 3.24Å; R95-D98 WeakPolarHBondContact CA-OD2 3.48Å; R95-D98 VanDerWaalsContact CB-OD2 3.24Å; R95-D98 WeakPolarHBondContact CB-OD2 3.18Å; R95-D98 PolarHBondContact N-OD2 3.45Å; R95-D98 WeakPolarHBondContact O-CB 3.45Å; R95-D98 PolarHBondContact O-N 3.48Å; P96-D98 PolarHBondContact O-N 2.92Å; D98-G100 PolarHBondContact O-N 2.9Å; D98-R101 VanDerWaalsContact O-CB 3.26Å; D98-R101 WeakPolarHBondContact O-CB 3.38Å; D98-R101 WeakPolarHBondContact O-CG 3.4Å; D98-R101 PolarHBondContact O-N 3.17Å; D98-R101 IonicContact OD1-NH1 3.96Å; D98-R101 PolarHBondContact OD1-NH1 3.06Å; D98-R101 VanDerWaalsContact OD1-NH1 3.12Å; D98-V106 HydrophobicContact CB-CG1 3.99Å; D98-V106 HydrophobicContact CB-CG2 4.31Å
99V97.8Very high98Very high61 Ų6149.5 Ų49.537%0.3725%0.251SS..THydrogen-bonded Turntrans-56.3132.5178.9174.80000110.4I83 V85 L88 P96 R101I83-V99 HydrophobicContact CG2-CG2 4.38Å; V85-V99 HydrophobicContact CG2-CG1 4.02Å; V85-V99 HydrophobicContact CG2-CG2 4.04Å; L88-V99 HydrophobicContact CD1-CG2 4.35Å; P96-V99 WeakPolarHBondContact O-CG2 3.48Å; V99-R101 VanDerWaalsContact C-N 3.34Å
100G96.6Very high98.2Very high51 Ų5146.9 Ų46.953%0.52624%0.235SC..THydrogen-bonded Turntrans87.7-13.5-174.600000115I83 D98I83-G100 PolarHBondContact O-N 3.36Å; D98-G100 PolarHBondContact O-N 2.9Å
101R98.5Very high98.4Very high84 Ų8444.5 Ų44.532%0.31723%0.226SC..SBendtrans-80.7155.6175.9-60176.965.6-161.1-1.9111.5T82 I83 D98 V99 K103 V106 E109T82-R101 CarbonylContact C-O 3.5Å; T82-R101 WeakPolarHBondContact CA-O 3.49Å; I83-R101 HydrophobicContact CD1-CB 4.42Å; I83-R101 WeakPolarHBondContact CG1-O 3.17Å; I83-R101 PolarHBondContact N-O 2.99Å; D98-R101 VanDerWaalsContact O-CB 3.26Å; D98-R101 WeakPolarHBondContact O-CB 3.38Å; D98-R101 WeakPolarHBondContact O-CG 3.4Å; D98-R101 PolarHBondContact O-N 3.17Å; D98-R101 IonicContact OD1-NH1 3.96Å; D98-R101 PolarHBondContact OD1-NH1 3.06Å; D98-R101 VanDerWaalsContact OD1-NH1 3.12Å; V99-R101 VanDerWaalsContact C-N 3.34Å; R101-K103 PolarHBondContact O-N 3.24Å; R101-V106 HydrophobicContact CB-CG2 3.71Å; R101-E109 IonicContact CZ-OE2 3.01Å; R101-E109 IonicContact NH1-OE2 3.92Å; R101-E109 PolarHBondContact NH1-OE2 3.26Å; R101-E109 IonicContact NH2-OE2 2.57Å; R101-E109 PolarHBondContact NH2-OE2 3.45Å
102P98.7Very high98.4Very high22 Ų2247.2 Ų47.214%0.14324%0.241CC..BIsolated β-bridgetrans-58.5130.8173.1-28.338.2000113.3A104 E105 V106 F124P102-A104 PolarHBondContact O-N 3.39Å; P102-E105 HydrophobicContact CB-CB 4.2Å; P102-E105 HydrophobicContact CB-CG 3.95Å; P102-E105 HydrophobicContact CG-CG 4.43Å; P102-E105 PolarHBondContact O-N 2.88Å; P102-V106 WeakPolarHBondContact O-CG2 3.12Å; P102-V106 PolarHBondContact O-N 3.37Å; P102-F124 HydrophobicContact CB-CB 4.07Å; P102-F124 HydrophobicContact CB-CD1 4.07Å; P102-F124 HydrophobicContact CB-CD2 3.62Å; P102-F124 HydrophobicContact CB-CE1 4.42Å; P102-F124 HydrophobicContact CB-CE2 3.99Å; P102-F124 HydrophobicContact CB-CG 3.66Å; P102-F124 HydrophobicContact CB-CZ 4.39Å; P102-F124 HydrophobicContact CG-CD1 3.81Å; P102-F124 HydrophobicContact CG-CD2 4.21Å; P102-F124 HydrophobicContact CG-CE1 3.97Å; P102-F124 HydrophobicContact CG-CE2 4.33Å; P102-F124 HydrophobicContact CG-CG 3.94Å; P102-F124 HydrophobicContact CG-CZ 4.23Å
103K98.7Very high98.4Very high12 Ų1249 Ų495%0.05226%0.262CS..Hα-helixtrans-60.7-45.5-179.3-70.8-176-168.1157.70112.4A56 D79 D81 T82 I83 N87 F94 R101 E105 V106 A107A56-K103 HydrophobicContact CB-CB 4.01Å; D79-K103 HydrophobicContact CB-CB 4.35Å; D81-K103 HydrophobicContact CB-CD 3.84Å; D81-K103 HydrophobicContact CB-CG 4.38Å; D81-K103 VanDerWaalsContact CB-NZ 3.26Å; D81-K103 PolarHBondContact O-N 2.76Å; D81-K103 IonicContact OD2-NZ 2.79Å; D81-K103 PolarHBondContact OD2-NZ 3.09Å; T82-K103 VanDerWaalsContact O-CE 3.3Å; T82-K103 WeakPolarHBondContact O-CE 3.47Å; I83-K103 HydrophobicContact CG1-CB 4.44Å; I83-K103 HydrophobicContact CG1-CG 3.73Å; N87-K103 VanDerWaalsContact OD1-CE 3.22Å; N87-K103 WeakPolarHBondContact OD1-CE 3.45Å; F94-K103 HydrophobicContact CE1-CB 4.48Å; F94-K103 WeakPolarHBondContact CE1-O 3.35Å; F94-K103 HydrophobicContact CE2-CB 4.24Å; F94-K103 HydrophobicContact CE2-CD 4.19Å; F94-K103 HydrophobicContact CE2-CG 3.95Å; F94-K103 HydrophobicContact CZ-CB 3.77Å; F94-K103 HydrophobicContact CZ-CG 3.99Å; R101-K103 PolarHBondContact O-N 3.24Å; K103-E105 VanDerWaalsContact C-N 3.33Å; K103-E105 PolarHBondContact O-N 2.92Å; K103-V106 PolarHBondContact O-N 3.27Å; K103-A107 WeakPolarHBondContact O-CB 3.12Å; K103-A107 PolarHBondContact O-N 2.87Å
104A98.6Very high98.4Very high0 Ų057 Ų570%029%0.292CS..Hα-helixtrans-57.5-45.4-178.400000111.9V77 D79 P102 A108 A122V77-A104 HydrophobicContact CG1-CB 4.3Å; D79-A104 HydrophobicContact CB-CB 4.03Å; P102-A104 PolarHBondContact O-N 3.39Å; A104-A108 PolarHBondContact O-N 3.44Å; A104-A108 VanDerWaalsContact O-N 3.08Å; A104-A122 HydrophobicContact CB-CB 4.12Å; A104-A122 VanDerWaalsContact O-CB 3.3Å; A104-A122 WeakPolarHBondContact O-CB 3.4Å
105E98.8Very high98.3Very high91 Ų9157.3 Ų57.343%0.42529%0.294SS..Hα-helixtrans-65.9-50-178.1-65.8-179.5-179.700112P102 K103 A107 A108 E109 A122P102-E105 HydrophobicContact CB-CB 4.2Å; P102-E105 HydrophobicContact CB-CG 3.95Å; P102-E105 HydrophobicContact CG-CG 4.43Å; P102-E105 PolarHBondContact O-N 2.88Å; K103-E105 VanDerWaalsContact C-N 3.33Å; K103-E105 PolarHBondContact O-N 2.92Å; E105-A107 VanDerWaalsContact C-N 3.3Å; E105-A107 PolarHBondContact O-N 2.99Å; E105-A108 PolarHBondContact O-N 2.96Å; E105-E109 WeakPolarHBondContact O-CB 3.15Å; E105-E109 PolarHBondContact O-N 2.79Å; E105-A122 HydrophobicContact CG-CB 4.36Å
106V98.8Very high98.1Very high4 Ų455.1 Ų55.12%0.02429%0.292CS..Hα-helixtrans-66.3-35.8-179.6-177.90000111.1I83 F94 D98 R101 P102 K103 E109 F110I83-V106 HydrophobicContact CD1-CB 3.77Å; I83-V106 HydrophobicContact CD1-CG1 4.02Å; I83-V106 HydrophobicContact CD1-CG2 3.63Å; F94-V106 HydrophobicContact CD1-CB 4.02Å; F94-V106 HydrophobicContact CD1-CG1 3.72Å; F94-V106 HydrophobicContact CE1-CB 4.09Å; F94-V106 HydrophobicContact CE1-CG1 4.23Å; D98-V106 HydrophobicContact CB-CG1 3.99Å; D98-V106 HydrophobicContact CB-CG2 4.31Å; R101-V106 HydrophobicContact CB-CG2 3.71Å; P102-V106 WeakPolarHBondContact O-CG2 3.12Å; P102-V106 PolarHBondContact O-N 3.37Å; K103-V106 PolarHBondContact O-N 3.27Å; V106-E109 PolarHBondContact O-N 2.87Å; V106-F110 WeakPolarHBondContact O-CB 3.37Å; V106-F110 PolarHBondContact O-N 3.04Å
107A98.7Very high98Very high0 Ų053.3 Ų53.30%028%0.277CS..Hα-helixtrans-61.2-48.8175.500000111A56 L64 L93 F94 K103 E105 F110 L111A56-A107 HydrophobicContact CB-CB 4.33Å; L64-A107 HydrophobicContact CD1-CB 3.93Å; L93-A107 HydrophobicContact CD1-CB 3.86Å; F94-A107 HydrophobicContact CE1-CB 4.03Å; F94-A107 HydrophobicContact CZ-CB 4.34Å; K103-A107 WeakPolarHBondContact O-CB 3.12Å; K103-A107 PolarHBondContact O-N 2.87Å; E105-A107 VanDerWaalsContact C-N 3.3Å; E105-A107 PolarHBondContact O-N 2.99Å; A107-F110 PolarHBondContact O-N 3Å; A107-L111 WeakPolarHBondContact O-CD2 3.5Å; A107-L111 PolarHBondContact O-N 2.86Å; A107-L111 VanDerWaalsContact O-N 3.1Å
108A98.8Very high97.7Very high6 Ų645.9 Ų45.95%0.0525%0.246CC..Hα-helixtrans-63.7-45.2177.100000112.3A104 E105 F110 L111 N112 V120 A122A104-A108 PolarHBondContact O-N 3.44Å; A104-A108 VanDerWaalsContact O-N 3.08Å; E105-A108 PolarHBondContact O-N 2.96Å; A108-F110 VanDerWaalsContact C-N 3.35Å; A108-F110 PolarHBondContact O-N 3.38Å; A108-L111 PolarHBondContact O-N 3.14Å; A108-N112 VanDerWaalsContact O-CB 3.32Å; A108-N112 WeakPolarHBondContact O-CB 3.37Å; A108-N112 PolarHBondContact O-N 3.18Å; A108-N112 PolarHBondContact O-ND2 3.1Å; A108-V120 HydrophobicContact CB-CB 3.95Å; A108-V120 HydrophobicContact CB-CG1 3.69Å; A108-A122 HydrophobicContact CB-CB 3.82Å
109E98.7Very high97.6Very high101 Ų10147.3 Ų47.347%0.47226%0.259SS..Hα-helixtrans-54.6-50.6176.3-175.5-170.2158.600111.1R101 E105 V106 L111 S113R101-E109 IonicContact CZ-OE2 3.01Å; R101-E109 IonicContact NH1-OE2 3.92Å; R101-E109 PolarHBondContact NH1-OE2 3.26Å; R101-E109 IonicContact NH2-OE2 2.57Å; R101-E109 PolarHBondContact NH2-OE2 3.45Å; E105-E109 WeakPolarHBondContact O-CB 3.15Å; E105-E109 PolarHBondContact O-N 2.79Å; V106-E109 PolarHBondContact O-N 2.87Å; E109-L111 PolarHBondContact O-N 3.32Å; E109-S113 WeakPolarHBondContact O-CB 3.33Å; E109-S113 PolarHBondContact O-N 2.96Å; E109-S113 VanDerWaalsContact O-N 3.11Å
110F98.8Very high97.6Very high44 Ų4444.8 Ų44.819%0.19324%0.244CC..Hα-helixtrans-62.3-45.4-178.7-172.2-78000111.8L93 V106 A107 A108 S113 R114L93-F110 HydrophobicContact CD2-CD1 3.55Å; L93-F110 HydrophobicContact CD2-CE1 3.86Å; L93-F110 HydrophobicContact CD2-CG 4.21Å; L93-F110 WeakPolarHBondContact O-CD2 3.37Å; V106-F110 WeakPolarHBondContact O-CB 3.37Å; V106-F110 PolarHBondContact O-N 3.04Å; A107-F110 PolarHBondContact O-N 3Å; A108-F110 VanDerWaalsContact C-N 3.35Å; A108-F110 PolarHBondContact O-N 3.38Å; F110-S113 PolarHBondContact O-N 2.95Å; F110-R114 HydrophobicContact CD1-CB 4.18Å; F110-R114 HydrophobicContact CE1-CB 4.05Å; F110-R114 HydrophobicContact CE1-CG 4.2Å; F110-R114 WeakPolarHBondContact O-CB 3.4Å; F110-R114 PolarHBondContact O-N 2.84Å
111L98.4Very high97.7Very high3 Ų345.1 Ų45.12%0.01624%0.235CC..Hα-helixtrans-70.2-44.6-177.5-93.720.8000113.1L64 L93 A107 A108 E109 S113 R114 I115 V120L64-L111 HydrophobicContact CB-CD2 3.24Å; L64-L111 HydrophobicContact CB-CG 4.41Å; L64-L111 HydrophobicContact CD1-CD2 3.7Å; L64-L111 HydrophobicContact CD2-CD2 4.48Å; L64-L111 HydrophobicContact CG-CD2 4Å; L93-L111 HydrophobicContact CD1-CD1 3.93Å; L93-L111 HydrophobicContact CD1-CD2 3.81Å; L93-L111 HydrophobicContact CD2-CD1 3.44Å; L93-L111 VanDerWaalsContact CD2-CD1 3.44Å; L93-L111 HydrophobicContact CG-CD1 4.35Å; A107-L111 WeakPolarHBondContact O-CD2 3.5Å; A107-L111 PolarHBondContact O-N 2.86Å; A107-L111 VanDerWaalsContact O-N 3.1Å; A108-L111 PolarHBondContact O-N 3.14Å; E109-L111 PolarHBondContact O-N 3.32Å; L111-S113 PolarHBondContact O-N 2.81Å; L111-R114 PolarHBondContact O-N 3.2Å; L111-R114 VanDerWaalsContact O-N 3.15Å; L111-I115 PolarHBondContact O-N 3.06Å; L111-V120 HydrophobicContact CB-CG2 3.96Å; L111-V120 HydrophobicContact CD2-CG2 4.4Å
112N98.3Very high97.8Very high63 Ų6342.7 Ų42.734%0.33723%0.234SC..Hα-helixtrans-63.2-30178-67.1-18.9000111.2A108 C118 V120A108-N112 VanDerWaalsContact O-CB 3.32Å; A108-N112 WeakPolarHBondContact O-CB 3.37Å; A108-N112 PolarHBondContact O-N 3.18Å; A108-N112 PolarHBondContact O-ND2 3.1Å; N112-C118 PolarHBondContact OD1-O 2.86Å; N112-C118 VanDerWaalsContact OD1-O 3.05Å; N112-V120 PolarHBondContact ND2-O 3.22Å; N112-V120 WeakPolarHBondContact OD1-CB 3.34Å; N112-V120 WeakPolarHBondContact OD1-CG2 3.48Å; N112-V120 PolarHBondContact OD1-N 3.19Å
113S97.9Very high97.8Very high107 Ų10744.3 Ų44.375%0.74824%0.237SC*.Hα-helixtrans-76.2-42.6171.7179.40000113E109 F110 L111E109-S113 WeakPolarHBondContact O-CB 3.33Å; E109-S113 PolarHBondContact O-N 2.96Å; E109-S113 VanDerWaalsContact O-N 3.11Å; F110-S113 PolarHBondContact O-N 2.95Å; L111-S113 PolarHBondContact O-N 2.81Å
114R98Very high97.7Very high167 Ų16748.1 Ų48.163%0.6325%0.254SS*.Hα-helixtrans-77.1-36-173.3179.65963.6-168.30.4113.2F110 L111F110-R114 HydrophobicContact CD1-CB 4.18Å; F110-R114 HydrophobicContact CE1-CB 4.05Å; F110-R114 HydrophobicContact CE1-CG 4.2Å; F110-R114 WeakPolarHBondContact O-CB 3.4Å; F110-R114 PolarHBondContact O-N 2.84Å; L111-R114 PolarHBondContact O-N 3.2Å; L111-R114 VanDerWaalsContact O-N 3.15Å
115I96.8Very high97.7Very high11 Ų1152.7 Ų52.76%0.05627%0.274CS..SBendtrans-117.1104.8-172.1-57.2176.9000108A68 L69 L111 N117 C118A68-I115 HydrophobicContact CB-CD1 3.38Å; A68-I115 HydrophobicContact CB-CG2 4.31Å; L69-I115 HydrophobicContact CD2-CD1 4.1Å; L69-I115 HydrophobicContact CD2-CG1 4.45Å; L69-I115 HydrophobicContact CG-CD1 4.11Å; L111-I115 PolarHBondContact O-N 3.06Å; I115-N117 PolarHBondContact O-N 3.34Å; I115-C118 HydrophobicContact CB-CB 4.03Å; I115-C118 HydrophobicContact CG2-CB 4.04Å; I115-C118 VanDerWaalsContact O-CB 3.27Å; I115-C118 WeakPolarHBondContact O-CB 3.26Å; I115-C118 PolarHBondContact O-N 3.11Å; I115-C118 VanDerWaalsContact O-N 3.11Å
116P95.4Very high97.6Very high51 Ų5153.5 Ų53.533%0.33128%0.276SS..THydrogen-bonded Turntrans-57.1139.4-175.9-28.437.5000112.3W13 R16 C118W13-P116 HydrophobicContact CZ3-CG 4.11Å; R16-P116 VanDerWaalsContact CZ-O 3.29Å; R16-P116 PolarHBondContact NH1-O 2.54Å; R16-P116 PolarHBondContact NH2-O 3.02Å; P116-C118 PolarHBondContact O-N 3.38Å; P116-C118 VanDerWaalsContact O-N 3.13Å
117N94.3Very high97.4Very high63 Ų6353.8 Ų53.834%0.33728%0.277SS..THydrogen-bonded Turntrans61.18.9-177.3-45.9-37.3000116T10 G11 R73 I115T10-N117 PolarHBondContact O-ND2 3.04Å; G11-N117 VanDerWaalsContact C-ND2 3.31Å; G11-N117 VanDerWaalsContact CA-ND2 3.33Å; G11-N117 WeakPolarHBondContact CA-ND2 3.48Å; R73-N117 WeakPolarHBondContact CD-O 2.9Å; R73-N117 WeakPolarHBondContact CG-O 3.44Å; R73-N117 PolarHBondContact NE-O 2.97Å; R73-N117 PolarHBondContact NH2-ND2 3.02Å; I115-N117 PolarHBondContact O-N 3.34Å
118C93.9Very high97.3Very high13 Ų1357.6 Ų57.69%0.08830%0.295CS..  trans-68.3139.1164.9-159.30000108.4A68 N112 I115 P116 V120A68-C118 VanDerWaalsContact CB-SG 3.56Å; N112-C118 PolarHBondContact OD1-O 2.86Å; N112-C118 VanDerWaalsContact OD1-O 3.05Å; I115-C118 HydrophobicContact CB-CB 4.03Å; I115-C118 HydrophobicContact CG2-CB 4.04Å; I115-C118 VanDerWaalsContact O-CB 3.27Å; I115-C118 WeakPolarHBondContact O-CB 3.26Å; I115-C118 PolarHBondContact O-N 3.11Å; I115-C118 VanDerWaalsContact O-N 3.11Å; P116-C118 PolarHBondContact O-N 3.38Å; P116-C118 VanDerWaalsContact O-N 3.13Å; C118-V120 VanDerWaalsContact SG-CG2 3.58Å
119A95.3Very high97.1Very high40 Ų4061.9 Ų61.933%0.33132%0.317SS..EExtended strand (participates in β ladder)trans-124.464.2-177.100000109.3R73 V121R73-A119 CarbonylContact O-C 3.52Å; R73-A119 VanDerWaalsContact O-C 3.3Å; R73-A119 WeakPolarHBondContact O-CA 3.17Å; R73-A119 WeakPolarHBondContact O-CB 3.45Å; R73-A119 PolarHBondContact O-N 3.39Å; R73-A119 VanDerWaalsContact O-O 3.13Å; A119-V121 PolarHBondContact O-N 3.07Å
120V98.6Very high96.9Very high7 Ų757.9 Ų57.94%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-74.6122.2176.3-170.90000109.6L64 I75 V77 A108 L111 N112 C118L64-V120 HydrophobicContact CD2-CG1 4.23Å; I75-V120 HydrophobicContact CB-CG2 4.35Å; I75-V120 CarbonylContact O-C 3.59Å; I75-V120 VanDerWaalsContact O-CA 3.23Å; I75-V120 WeakPolarHBondContact O-CA 3.37Å; V77-V120 HydrophobicContact CB-CG1 4.48Å; V77-V120 HydrophobicContact CG1-CG1 3.87Å; A108-V120 HydrophobicContact CB-CB 3.95Å; A108-V120 HydrophobicContact CB-CG1 3.69Å; L111-V120 HydrophobicContact CB-CG2 3.96Å; L111-V120 HydrophobicContact CD2-CG2 4.4Å; N112-V120 PolarHBondContact ND2-O 3.22Å; N112-V120 WeakPolarHBondContact OD1-CB 3.34Å; N112-V120 WeakPolarHBondContact OD1-CG2 3.48Å; N112-V120 PolarHBondContact OD1-N 3.19Å; C118-V120 VanDerWaalsContact SG-CG2 3.58Å
121V98.8Very high96.5Very high58 Ų5860.2 Ų60.235%0.35231%0.313SS..EExtended strand (participates in β ladder)trans-103.8121.3175.4-175.30000109.7I75 H76 V77 A119 Y123I75-V121 PolarHBondContact O-N 3.22Å; H76-V121 CarbonylContact C-O 3.49Å; H76-V121 WeakPolarHBondContact CA-O 3.42Å; V77-V121 PolarHBondContact N-O 3.41Å; A119-V121 PolarHBondContact O-N 3.07Å; V121-Y123 HydrophobicContact CB-CE2 4.2Å; V121-Y123 HydrophobicContact CG1-CE2 3.69Å
122A98.6Very high96.2Very high34 Ų3464.7 Ų64.728%0.28133%0.334SS..EExtended strand (participates in β ladder)trans-92.2142.6-17800000113.2V77 A104 E105 A108V77-A122 HydrophobicContact CG1-CB 4.2Å; A104-A122 HydrophobicContact CB-CB 4.12Å; A104-A122 VanDerWaalsContact O-CB 3.3Å; A104-A122 WeakPolarHBondContact O-CB 3.4Å; E105-A122 HydrophobicContact CG-CB 4.36Å; A108-A122 HydrophobicContact CB-CB 3.82Å
123Y98.7Very high96Very high55 Ų5565.5 Ų65.522%0.21634%0.344CS..EExtended strand (participates in β ladder)trans-130.4106.3171.4-60.8-90.8000109.3H76 V77 I78 D79 V121 K125 M130 F134H76-Y123 HydrophobicContact CB-CD2 4.48Å; H76-Y123 HydrophobicContact CB-CE2 3.91Å; H76-Y123 PolarHBondContact CE1-OH 3.27Å; H76-Y123 AromaticContact CG-CE2 3.9Å; H76-Y123 AromaticContact ND1-CE2 3.24Å; H76-Y123 WeakPolarHBondContact ND1-CE2 3.48Å; H76-Y123 AromaticContact ND1-CZ 3.55Å; H76-Y123 PolarHBondContact ND1-OH 3.12Å; V77-Y123 PolarHBondContact O-N 2.76Å; I78-Y123 WeakPolarHBondContact CA-O 3.24Å; I78-Y123 HydrophobicContact CG1-CD2 4.24Å; I78-Y123 HydrophobicContact CG1-CG 4.25Å; D79-Y123 PolarHBondContact N-O 3.21Å; V121-Y123 HydrophobicContact CB-CE2 4.2Å; V121-Y123 HydrophobicContact CG1-CE2 3.69Å; Y123-K125 VanDerWaalsContact C-N 3.25Å; Y123-K125 PolarHBondContact O-N 3.45Å; Y123-M130 HydrophobicContact CD1-CE 3.87Å; Y123-M130 HydrophobicContact CE1-CE 4.14Å; Y123-M130 HydrophobicContact CG-CE 4.37Å; Y123-F134 HydrophobicContact CD1-CE2 4.47Å; Y123-F134 HydrophobicContact CD2-CE2 4.47Å; Y123-F134 HydrophobicContact CD2-CZ 4.35Å; Y123-F134 AromaticContact CE1-CE2 3.92Å; Y123-F134 HydrophobicContact CE1-CE2 3.92Å; Y123-F134 AromaticContact CE2-CE2 3.97Å; Y123-F134 HydrophobicContact CE2-CE2 3.97Å; Y123-F134 HydrophobicContact CE2-CZ 4.16Å; Y123-F134 AromaticContact CZ-CE2 3.64Å
124F98.4Very high96Very high92 Ų9261.1 Ų61.140%0.40431%0.312SS..EExtended strand (participates in β ladder)trans-80.376.2170.9-178.2-133.6000110.1D79 M80 T82 P102D79-F124 WeakPolarHBondContact O-CA 3.43Å; D79-F124 WeakPolarHBondContact O-CD2 3.43Å; M80-F124 VanDerWaalsContact C-CE2 3.49Å; M80-F124 WeakPolarHBondContact O-CE2 3.3Å; T82-F124 HydrophobicContact CG2-CE2 4.38Å; T82-F124 HydrophobicContact CG2-CZ 4.04Å; P102-F124 HydrophobicContact CB-CB 4.07Å; P102-F124 HydrophobicContact CB-CD1 4.07Å; P102-F124 HydrophobicContact CB-CD2 3.62Å; P102-F124 HydrophobicContact CB-CE1 4.42Å; P102-F124 HydrophobicContact CB-CE2 3.99Å; P102-F124 HydrophobicContact CB-CG 3.66Å; P102-F124 HydrophobicContact CB-CZ 4.39Å; P102-F124 HydrophobicContact CG-CD1 3.81Å; P102-F124 HydrophobicContact CG-CD2 4.21Å; P102-F124 HydrophobicContact CG-CE1 3.97Å; P102-F124 HydrophobicContact CG-CE2 4.33Å; P102-F124 HydrophobicContact CG-CG 3.94Å; P102-F124 HydrophobicContact CG-CZ 4.23Å
125K97.6Very high96Very high96 Ų9653.1 Ų53.142%0.41728%0.282SS..SBendtrans-148.9160.3-172.4-73.3-170.3169-163.90110.9I78 D79 M80 Y123 D129 M130I78-K125 WeakPolarHBondContact CG2-O 3.27Å; D79-K125 CarbonylContact C-O 3.52Å; D79-K125 PolarHBondContact O-N 3.42Å; M80-K125 PolarHBondContact N-O 3.49Å; Y123-K125 VanDerWaalsContact C-N 3.25Å; Y123-K125 PolarHBondContact O-N 3.45Å; K125-D129 HydrophobicContact CB-CB 4.49Å; K125-M130 HydrophobicContact CB-SD 4.24Å; K125-M130 HydrophobicContact CD-SD 3.34Å; K125-M130 WeakPolarHBondContact CD-SD 3.45Å; K125-M130 HydrophobicContact CG-SD 4.42Å
126K95.9Very high96Very high108 Ų10858.5 Ų58.547%0.4730%0.301SS..  trans-79152.7164.6-48.5-168.7174.6173.90109.2M80 Q128 D129M80-K126 HydrophobicContact CB-CB 4.47Å; M80-K126 HydrophobicContact CB-CG 3.77Å; M80-K126 HydrophobicContact CG-CG 4.29Å; M80-K126 HydrophobicContact SD-CB 4.29Å; M80-K126 HydrophobicContact SD-CD 3.74Å; M80-K126 HydrophobicContact SD-CG 3.58Å; M80-K126 VanDerWaalsContact SD-CG 3.58Å; K126-Q128 PolarHBondContact O-N 3.48Å; K126-D129 WeakPolarHBondContact CB-OD2 3.42Å; K126-D129 WeakPolarHBondContact CG-OD2 3.25Å; K126-D129 PolarHBondContact N-OD2 3.31Å; K126-D129 WeakPolarHBondContact O-CB 3.36Å; K126-D129 PolarHBondContact O-N 2.84Å
127I96.6Very high96.1Very high10 Ų1059.1 Ų59.15%0.05130%0.3CS..G310 helixtrans-59.8-32.2175.459.9179.1000111.8I54 I78 D129 M130 Y135 A150 W153 I154I54-I127 HydrophobicContact CD1-CG2 4.28Å; I54-I127 HydrophobicContact CG2-CG2 3.4Å; I54-I127 VanDerWaalsContact CG2-CG2 3.4Å; I78-I127 HydrophobicContact CG2-CG2 4.05Å; I127-D129 PolarHBondContact O-N 2.97Å; I127-M130 PolarHBondContact O-N 3.45Å; I127-Y135 VanDerWaalsContact C-OH 3.26Å; I127-Y135 VanDerWaalsContact CA-OH 3.23Å; I127-Y135 WeakPolarHBondContact CA-OH 3.45Å; I127-Y135 VanDerWaalsContact CB-OH 3.3Å; I127-Y135 WeakPolarHBondContact CB-OH 3.45Å; I127-Y135 PolarHBondContact O-OH 2.77Å; I127-A150 HydrophobicContact CD1-CB 3.85Å; I127-A150 WeakPolarHBondContact CD1-O 3.18Å; I127-W153 HydrophobicContact CB-CE3 4.18Å; I127-W153 HydrophobicContact CB-CZ3 4Å; I127-W153 HydrophobicContact CD1-CD2 4.4Å; I127-W153 HydrophobicContact CD1-CE3 3.7Å; I127-W153 HydrophobicContact CD1-CZ3 4.38Å; I127-W153 HydrophobicContact CG1-CD2 4.41Å; I127-W153 HydrophobicContact CG1-CE3 3.76Å; I127-W153 HydrophobicContact CG1-CZ3 4.08Å; I127-W153 WeakPolarHBondContact O-CH2 3.4Å; I127-W153 WeakPolarHBondContact O-CZ3 3.39Å; I127-I154 HydrophobicContact CD1-CB 4.48Å
128Q94.6Very high96.4Very high81 Ų8156.4 Ų56.438%0.37929%0.285SS..G310 helixtrans-69.8-17.3179.1-60.382.5000113.4K126 M130 W153K126-Q128 PolarHBondContact O-N 3.48Å; Q128-M130 VanDerWaalsContact C-N 3.28Å; Q128-W153 HydrophobicContact CB-CZ2 4.27Å; Q128-W153 HydrophobicContact CG-CD2 3.97Å; Q128-W153 HydrophobicContact CG-CG 4.13Å; Q128-W153 HydrophobicContact CG-CZ2 4.22Å
129D94.9Very high96.6Very high95 Ų9559.6 Ų59.651%0.50830%0.299SS..G310 helixtrans-85.7-4.3179.5-54.6-31.9000112.4K125 K126 I127K125-D129 HydrophobicContact CB-CB 4.49Å; K126-D129 WeakPolarHBondContact CB-OD2 3.42Å; K126-D129 WeakPolarHBondContact CG-OD2 3.25Å; K126-D129 PolarHBondContact N-OD2 3.31Å; K126-D129 WeakPolarHBondContact O-CB 3.36Å; K126-D129 PolarHBondContact O-N 2.84Å; I127-D129 PolarHBondContact O-N 2.97Å
130M95.1Very high96.8Very high18 Ų1857.9 Ų57.99%0.08928%0.284CS..SBendtrans-100.4140.6-179.2-52.7-60.9-75.800109.6I78 Y123 K125 I127 Q128 F134 Y135I78-M130 HydrophobicContact CD1-CE 4.48Å; I78-M130 HydrophobicContact CD1-CG 3.91Å; Y123-M130 HydrophobicContact CD1-CE 3.87Å; Y123-M130 HydrophobicContact CE1-CE 4.14Å; Y123-M130 HydrophobicContact CG-CE 4.37Å; K125-M130 HydrophobicContact CB-SD 4.24Å; K125-M130 HydrophobicContact CD-SD 3.34Å; K125-M130 WeakPolarHBondContact CD-SD 3.45Å; K125-M130 HydrophobicContact CG-SD 4.42Å; I127-M130 PolarHBondContact O-N 3.45Å; Q128-M130 VanDerWaalsContact C-N 3.28Å; M130-F134 HydrophobicContact CB-CB 4.38Å; M130-F134 HydrophobicContact CB-CD1 3.82Å; M130-F134 HydrophobicContact CB-CE1 4.47Å; M130-F134 HydrophobicContact CB-CG 4.22Å; M130-F134 HydrophobicContact CE-CB 4.18Å; M130-F134 HydrophobicContact CE-CD1 3.57Å; M130-F134 HydrophobicContact CE-CD2 3.18Å; M130-F134 HydrophobicContact CE-CE1 3.66Å; M130-F134 HydrophobicContact CE-CE2 3.26Å; M130-F134 HydrophobicContact CE-CG 3.33Å; M130-F134 HydrophobicContact CE-CZ 3.49Å; M130-F134 VanDerWaalsContact CE-CZ 3.49Å; M130-F134 HydrophobicContact CG-CD1 4.18Å; M130-F134 HydrophobicContact CG-CE1 4.39Å; M130-Y135 HydrophobicContact CB-CE2 3.63Å
131D90.7Very high96.8Very high93 Ų9357.6 Ų57.650%0.49728%0.282SS..  trans-85169.2-179.765.613.9000112.5S133 F134 Y135D131-S133 PolarHBondContact O-N 2.92Å; D131-S133 PolarHBondContact OD1-N 3.26Å; D131-S133 PolarHBondContact OD1-OG 3.17Å; D131-S133 PolarHBondContact OD2-OG 2.87Å; D131-S133 VanDerWaalsContact OD2-OG 3.1Å; D131-F134 WeakPolarHBondContact O-CB 3.21Å; D131-F134 PolarHBondContact O-N 3.11Å; D131-F134 WeakPolarHBondContact OD1-CB 3.44Å; D131-F134 PolarHBondContact OD1-N 3.37Å; D131-Y135 WeakPolarHBondContact O-CD2 3.48Å
132E91.6Very high96.8Very high96 Ų9654.8 Ų54.845%0.44927%0.265SS..Hα-helixtrans-56.5-39.1176.1-66.1-174.4-15800112.2F134 Y135 R136 M157 F161E132-F134 PolarHBondContact O-N 2.98Å; E132-Y135 PolarHBondContact O-N 3.46Å; E132-Y135 VanDerWaalsContact O-N 3.13Å; E132-R136 WeakPolarHBondContact O-CG 3.22Å; E132-R136 PolarHBondContact O-N 2.84Å; E132-R136 IonicContact OE2-NH2 3.25Å; E132-M157 HydrophobicContact CB-SD 4.42Å; E132-M157 HydrophobicContact CG-CE 4.16Å; E132-M157 HydrophobicContact CG-SD 3.82Å; E132-F161 HydrophobicContact CB-CE1 3.72Å; E132-F161 HydrophobicContact CB-CZ 4.17Å; E132-F161 HydrophobicContact CG-CE1 3.9Å; E132-F161 WeakPolarHBondContact O-CZ 3.41Å
133S95.1Very high96.8Very high80 Ų8053.2 Ų53.256%0.55925%0.252SS*.Hα-helixtrans-60.9-36.3-177.985.30000111.8D131D131-S133 PolarHBondContact O-N 2.92Å; D131-S133 PolarHBondContact OD1-N 3.26Å; D131-S133 PolarHBondContact OD1-OG 3.17Å; D131-S133 PolarHBondContact OD2-OG 2.87Å; D131-S133 VanDerWaalsContact OD2-OG 3.1Å
134F97.9Very high96.6Very high15 Ų1551.1 Ų51.17%0.06625%0.247CC..Hα-helixtrans-62.7-47.4175.4171.6-94000111.4L52 I78 Y123 M130 D131 E132 Q137 F138L52-F134 HydrophobicContact CD1-CE1 4.21Å; L52-F134 HydrophobicContact CD1-CZ 4.05Å; L52-F134 HydrophobicContact CD2-CE1 3.89Å; I78-F134 HydrophobicContact CD1-CD1 4.45Å; I78-F134 HydrophobicContact CD1-CE1 3.46Å; I78-F134 VanDerWaalsContact CD1-CE1 3.46Å; I78-F134 HydrophobicContact CD1-CZ 3.79Å; I78-F134 HydrophobicContact CG1-CE1 4.49Å; I78-F134 HydrophobicContact CG1-CZ 4.38Å; Y123-F134 HydrophobicContact CD1-CE2 4.47Å; Y123-F134 HydrophobicContact CD2-CE2 4.47Å; Y123-F134 HydrophobicContact CD2-CZ 4.35Å; Y123-F134 AromaticContact CE1-CE2 3.92Å; Y123-F134 HydrophobicContact CE1-CE2 3.92Å; Y123-F134 AromaticContact CE2-CE2 3.97Å; Y123-F134 HydrophobicContact CE2-CE2 3.97Å; Y123-F134 HydrophobicContact CE2-CZ 4.16Å; Y123-F134 AromaticContact CZ-CE2 3.64Å; M130-F134 HydrophobicContact CB-CB 4.38Å; M130-F134 HydrophobicContact CB-CD1 3.82Å; M130-F134 HydrophobicContact CB-CE1 4.47Å; M130-F134 HydrophobicContact CB-CG 4.22Å; M130-F134 HydrophobicContact CE-CB 4.18Å; M130-F134 HydrophobicContact CE-CD1 3.57Å; M130-F134 HydrophobicContact CE-CD2 3.18Å; M130-F134 HydrophobicContact CE-CE1 3.66Å; M130-F134 HydrophobicContact CE-CE2 3.26Å; M130-F134 HydrophobicContact CE-CG 3.33Å; M130-F134 HydrophobicContact CE-CZ 3.49Å; M130-F134 VanDerWaalsContact CE-CZ 3.49Å; M130-F134 HydrophobicContact CG-CD1 4.18Å; M130-F134 HydrophobicContact CG-CE1 4.39Å; D131-F134 WeakPolarHBondContact O-CB 3.21Å; D131-F134 PolarHBondContact O-N 3.11Å; D131-F134 WeakPolarHBondContact OD1-CB 3.44Å; D131-F134 PolarHBondContact OD1-N 3.37Å; E132-F134 PolarHBondContact O-N 2.98Å; F134-Q137 WeakPolarHBondContact O-CG 3.4Å; F134-Q137 PolarHBondContact O-NE2 2.76Å; F134-F138 HydrophobicContact CD1-CE2 4.02Å; F134-F138 HydrophobicContact CD2-CE2 4.45Å; F134-F138 AromaticContact CE1-CE2 3.5Å; F134-F138 HydrophobicContact CE1-CE2 3.5Å; F134-F138 HydrophobicContact CE1-CZ 4.07Å; F134-F138 HydrophobicContact CE2-CE2 4.01Å; F134-F138 AromaticContact CE2-CZ 3.96Å; F134-F138 HydrophobicContact CE2-CZ 3.96Å; F134-F138 HydrophobicContact CG-CE2 4.46Å; F134-F138 AromaticContact CZ-CE2 3.52Å; F134-F138 HydrophobicContact CZ-CE2 3.52Å; F134-F138 AromaticContact CZ-CZ 3.58Å; F134-F138 HydrophobicContact CZ-CZ 3.58Å; F134-F138 WeakPolarHBondContact O-CD2 3.3Å; F134-F138 WeakPolarHBondContact O-CE2 3.45Å
135Y98.1Very high96.4Very high0 Ų047.7 Ų47.70%023%0.233CC..Hα-helixtrans-73.3-32.4-176.7-66.2-73.4000112.9L52 I54 I78 I127 M130 D131 E132 Q137 F138 I141 W153 I154 M157 I175L52-Y135 HydrophobicContact CD2-CD1 3.73Å; L52-Y135 HydrophobicContact CD2-CE1 3.72Å; I54-Y135 HydrophobicContact CD1-CE1 4.44Å; I78-Y135 HydrophobicContact CD1-CE1 4.43Å; I127-Y135 VanDerWaalsContact C-OH 3.26Å; I127-Y135 VanDerWaalsContact CA-OH 3.23Å; I127-Y135 WeakPolarHBondContact CA-OH 3.45Å; I127-Y135 VanDerWaalsContact CB-OH 3.3Å; I127-Y135 WeakPolarHBondContact CB-OH 3.45Å; I127-Y135 PolarHBondContact O-OH 2.77Å; M130-Y135 HydrophobicContact CB-CE2 3.63Å; D131-Y135 WeakPolarHBondContact O-CD2 3.48Å; E132-Y135 PolarHBondContact O-N 3.46Å; E132-Y135 VanDerWaalsContact O-N 3.13Å; Y135-Q137 PolarHBondContact O-N 2.77Å; Y135-Q137 VanDerWaalsContact O-N 3.1Å; Y135-F138 WeakPolarHBondContact O-CD2 3.34Å; Y135-F138 PolarHBondContact O-N 3.46Å; Y135-I141 HydrophobicContact CD1-CD1 4.02Å; Y135-W153 AromaticContact CE2-CH2 3.87Å; Y135-W153 HydrophobicContact CE2-CH2 3.87Å; Y135-W153 AromaticContact CE2-CZ3 3.91Å; Y135-W153 HydrophobicContact CE2-CZ3 3.91Å; Y135-W153 AromaticContact CZ-CZ3 3.9Å; Y135-I154 HydrophobicContact CD1-CD1 3.9Å; Y135-I154 HydrophobicContact CE1-CD1 3.62Å; Y135-M157 HydrophobicContact CD2-CE 4.16Å; Y135-M157 HydrophobicContact CD2-CG 3.7Å; Y135-M157 HydrophobicContact CD2-SD 4.05Å; Y135-M157 HydrophobicContact CE2-CE 4.22Å; Y135-M157 HydrophobicContact CE2-CG 4.18Å; Y135-M157 HydrophobicContact CG-CG 4.06Å; Y135-I175 WeakPolarHBondContact O-CD1 3.39Å
136R96.8Very high96.1Very high123 Ų12349.1 Ų49.146%0.46425%0.245SC..Hα-helixtrans-62-17179.3-75.7-178.5-172.5-87.34.1114.5E132 F138 F161E132-R136 WeakPolarHBondContact O-CG 3.22Å; E132-R136 PolarHBondContact O-N 2.84Å; E132-R136 IonicContact OE2-NH2 3.25Å; R136-F138 VanDerWaalsContact C-N 3.31Å; R136-F138 PolarHBondContact O-N 2.75Å; R136-F161 HydrophobicContact CG-CD1 4.03Å; R136-F161 HydrophobicContact CG-CD2 3.93Å; R136-F161 HydrophobicContact CG-CE1 3.94Å; R136-F161 HydrophobicContact CG-CE2 3.82Å; R136-F161 HydrophobicContact CG-CG 4.03Å; R136-F161 HydrophobicContact CG-CZ 3.83Å; R136-F161 VanDerWaalsContact NH2-CD1 3.26Å
137Q97.7Very high95.9Very high64 Ų6446 Ų4630%0.29924%0.237SC..THydrogen-bonded Turntrans-78.9-12.5-178.685-172.3-7300114.2K50 F134 Y135K50-Q137 HydrophobicContact CD-CG 4.35Å; K50-Q137 VanDerWaalsContact CD-O 3.28Å; K50-Q137 WeakPolarHBondContact CD-O 3.2Å; F134-Q137 WeakPolarHBondContact O-CG 3.4Å; F134-Q137 PolarHBondContact O-NE2 2.76Å; Y135-Q137 PolarHBondContact O-N 2.77Å; Y135-Q137 VanDerWaalsContact O-N 3.1Å
138F98.7Very high95.7Very high6 Ų647.5 Ų47.53%0.02625%0.245CC..  trans-93.2144-173.7-62.8-74000111.3K50 L52 H76 F134 Y135 R136 I141K50-F138 HydrophobicContact CB-CD1 3.97Å; L52-F138 HydrophobicContact CB-CB 4.45Å; L52-F138 HydrophobicContact CB-CD1 3.7Å; L52-F138 HydrophobicContact CB-CD2 3.84Å; L52-F138 HydrophobicContact CB-CE1 3.84Å; L52-F138 HydrophobicContact CB-CE2 3.96Å; L52-F138 HydrophobicContact CB-CG 3.71Å; L52-F138 HydrophobicContact CB-CZ 3.97Å; L52-F138 HydrophobicContact CD1-CE1 4.42Å; L52-F138 HydrophobicContact CD1-CE2 4.22Å; L52-F138 HydrophobicContact CD1-CZ 3.97Å; L52-F138 HydrophobicContact CD2-CD2 4.06Å; L52-F138 HydrophobicContact CD2-CE2 3.92Å; L52-F138 HydrophobicContact CD2-CZ 4.48Å; L52-F138 HydrophobicContact CG-CD2 4.47Å; L52-F138 HydrophobicContact CG-CE2 4.26Å; L52-F138 HydrophobicContact CG-CZ 4.36Å; H76-F138 HydrophobicContact CB-CE1 3.6Å; H76-F138 HydrophobicContact CB-CZ 3.69Å; H76-F138 AromaticContact CD2-CE1 3.67Å; H76-F138 AromaticContact CG-CE1 3.47Å; H76-F138 VanDerWaalsContact CG-CE1 3.47Å; H76-F138 AromaticContact CG-CZ 3.64Å; H76-F138 AromaticContact ND1-CE1 3.94Å; H76-F138 AromaticContact ND1-CZ 3.73Å; F134-F138 HydrophobicContact CD1-CE2 4.02Å; F134-F138 HydrophobicContact CD2-CE2 4.45Å; F134-F138 AromaticContact CE1-CE2 3.5Å; F134-F138 HydrophobicContact CE1-CE2 3.5Å; F134-F138 HydrophobicContact CE1-CZ 4.07Å; F134-F138 HydrophobicContact CE2-CE2 4.01Å; F134-F138 AromaticContact CE2-CZ 3.96Å; F134-F138 HydrophobicContact CE2-CZ 3.96Å; F134-F138 HydrophobicContact CG-CE2 4.46Å; F134-F138 AromaticContact CZ-CE2 3.52Å; F134-F138 HydrophobicContact CZ-CE2 3.52Å; F134-F138 AromaticContact CZ-CZ 3.58Å; F134-F138 HydrophobicContact CZ-CZ 3.58Å; F134-F138 WeakPolarHBondContact O-CD2 3.3Å; F134-F138 WeakPolarHBondContact O-CE2 3.45Å; Y135-F138 WeakPolarHBondContact O-CD2 3.34Å; Y135-F138 PolarHBondContact O-N 3.46Å; R136-F138 VanDerWaalsContact C-N 3.31Å; R136-F138 PolarHBondContact O-N 2.75Å; F138-I141 HydrophobicContact CB-CG1 4.28Å
139H98.8Very high95.6Very high81 Ų8147 Ų4738%0.37524%0.244SC..SBendtrans-81.3-35.4172.3-55.590.6000110.7T48 K50 P176T48-H139 PolarHBondContact O-CE1 2.92Å; K50-H139 PolarHBondContact N-ND1 3.05Å; K50-H139 PolarHBondContact O-N 3.09Å; H139-P176 WeakPolarHBondContact O-CD 3.3Å
140I98.9Very high95.6Very high4 Ų442.9 Ų42.92%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-143.1140.2-176.4-55.2173.6000109.2V51 L52 V142 I178 V307 I310 A311V51-I140 WeakPolarHBondContact CA-O 3.16Å; V51-I140 HydrophobicContact CG2-CB 4.47Å; L52-I140 PolarHBondContact N-O 3.24Å; I140-V142 HydrophobicContact CG2-CG2 4.39Å; I140-I178 HydrophobicContact CG2-CD1 3.36Å; I140-V307 HydrophobicContact CD1-CG1 4.03Å; I140-V307 HydrophobicContact CG2-CG1 4.13Å; I140-V307 HydrophobicContact CG2-CG2 4.18Å; I140-I310 HydrophobicContact CD1-CB 4.07Å; I140-I310 HydrophobicContact CD1-CG2 3.73Å; I140-I310 HydrophobicContact CG1-CG2 4.13Å; I140-A311 HydrophobicContact CD1-CB 3.74Å
141I98.9Very high95.7Very high0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-116.5138.5172.9-56.9-171.8000110L52 I54 Y135 F138 I154 L158 I175 P176 L177 I178L52-I141 HydrophobicContact CB-CG1 4.15Å; L52-I141 HydrophobicContact CB-CG2 4.41Å; L52-I141 HydrophobicContact CD2-CD1 4.11Å; L52-I141 HydrophobicContact CD2-CG1 4.39Å; L52-I141 HydrophobicContact CD2-CG2 4.26Å; L52-I141 HydrophobicContact CG-CG2 4.47Å; L52-I141 CarbonylContact O-C 3.52Å; L52-I141 WeakPolarHBondContact O-CA 3.45Å; I54-I141 HydrophobicContact CD1-CG2 3.61Å; I54-I141 HydrophobicContact CG1-CG2 4.06Å; Y135-I141 HydrophobicContact CD1-CD1 4.02Å; F138-I141 HydrophobicContact CB-CG1 4.28Å; I141-I154 HydrophobicContact CD1-CD1 4.47Å; I141-L158 HydrophobicContact CD1-CD1 4.31Å; I141-L158 HydrophobicContact CD1-CD2 3.73Å; I141-L158 HydrophobicContact CD1-CG 4.44Å; I141-I175 HydrophobicContact CD1-CG2 4.22Å; I141-I175 HydrophobicContact CG1-CG2 3.86Å; I141-P176 PolarHBondContact N-O 3.19Å; I141-L177 HydrophobicContact CB-CD1 4.28Å; I141-L177 HydrophobicContact CG2-CD1 4.06Å; I141-L177 WeakPolarHBondContact O-CA 3.33Å; I141-I178 PolarHBondContact O-N 2.99Å
142V98.8Very high96Very high0 Ų038.8 Ų38.80%020%0.199CC..EExtended strand (participates in β ladder)trans-128128.2179.9-162.70000110.3V51 L52 V53 I54 L63 I140 I178 C303 V307V51-V142 HydrophobicContact CG1-CG2 3.95Å; L52-V142 PolarHBondContact O-N 3.47Å; V53-V142 CarbonylContact C-O 3.51Å; V53-V142 WeakPolarHBondContact CA-O 3.39Å; I54-V142 PolarHBondContact N-O 3.32Å; L63-V142 HydrophobicContact CD1-CB 4.46Å; L63-V142 HydrophobicContact CD1-CG1 3.66Å; L63-V142 HydrophobicContact CD2-CG1 3.69Å; L63-V142 HydrophobicContact CG-CG1 4.3Å; I140-V142 HydrophobicContact CG2-CG2 4.39Å; V142-I178 CarbonylContact C-O 3.49Å; V142-I178 VanDerWaalsContact CA-O 3.25Å; V142-I178 WeakPolarHBondContact CA-O 3.38Å; V142-I178 HydrophobicContact CG1-CB 4.1Å; V142-I178 HydrophobicContact CG1-CG2 4.17Å; V142-C303 HydrophobicContact CG1-CB 4.27Å; V142-V307 HydrophobicContact CB-CG2 4.46Å; V142-V307 HydrophobicContact CG1-CG2 4.37Å; V142-V307 HydrophobicContact CG2-CG2 3.27Å
143C98.3Very high96.2Very high1 Ų135.3 Ų35.31%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-110127.1-176.2-70.70000112.1L145 I178 D179 G180C143-L145 HydrophobicContact CB-CD1 4.16Å; C143-L145 HydrophobicContact CB-CG 4.28Å; C143-I178 PolarHBondContact N-O 3.18Å; C143-D179 HydrophobicContact CB-CB 4.27Å; C143-D179 WeakPolarHBondContact CB-OD1 3.3Å; C143-G180 PolarHBondContact O-N 3.07Å
144G95.3Very high96.4Very high10 Ų1031.5 Ų31.510%0.10316%0.156CC..  trans-115.841.9164.300000111.1I54I54-G144 PolarHBondContact O-N 3.27Å
145L93.9Very high96.3Very high21 Ų2130.8 Ų30.811%0.1115%0.153CC..  trans-72.5159.8-175.4-72.8168.3000112I54 C143 A150 R151 I154I54-L145 HydrophobicContact CG2-CD1 4.14Å; I54-L145 HydrophobicContact CG2-CD2 3.56Å; I54-L145 HydrophobicContact CG2-CG 3.89Å; C143-L145 HydrophobicContact CB-CD1 4.16Å; C143-L145 HydrophobicContact CB-CG 4.28Å; L145-A150 HydrophobicContact CD1-CB 3.79Å; L145-A150 HydrophobicContact CD2-CB 3.81Å; L145-A150 HydrophobicContact CG-CB 4.27Å; L145-R151 HydrophobicContact CB-CG 4.05Å; L145-R151 HydrophobicContact CD1-CG 3.95Å; L145-R151 PolarHBondContact O-NH1 2.83Å; L145-R151 VanDerWaalsContact O-NH1 3.08Å; L145-R151 PolarHBondContact O-NH2 3.41Å; L145-I154 HydrophobicContact CD1-CG2 4.26Å
146D90.9Very high96.2Very high125 Ų12530.8 Ų30.867%0.66815%0.153SC*.SBendtrans-115.4-3.3-179.765.2-12.7000113.4
147S91.9Very high96.2Very high44 Ų4425.3 Ų25.331%0.30813%0.133SC..  trans-121.6147.1177.274.30000112.9I149 A150 R151S147-I149 VanDerWaalsContact C-N 3.35Å; S147-A150 WeakPolarHBondContact OG-CB 3.37Å; S147-A150 PolarHBondContact OG-N 3.1Å; S147-R151 WeakPolarHBondContact O-CG 3.19Å; S147-R151 PolarHBondContact O-N 2.97Å; S147-R151 PolarHBondContact O-NH1 3.21Å
148I92.4Very high96.1Very high41 Ų4122.4 Ų22.421%0.2112%0.119CC..Hα-helixtrans-66.1-41.4173.9-60.9173.1000109.7A150 R151 R152 L204 Y207I148-A150 PolarHBondContact O-N 2.96Å; I148-R151 WeakPolarHBondContact O-CB 3.17Å; I148-R151 PolarHBondContact O-N 2.76Å; I148-R151 VanDerWaalsContact O-N 3.15Å; I148-R152 HydrophobicContact CG2-CG 4.1Å; I148-R152 VanDerWaalsContact O-CG 3.32Å; I148-R152 WeakPolarHBondContact O-CG 3.41Å; I148-R152 PolarHBondContact O-N 3.08Å; I148-L204 HydrophobicContact CG2-CD1 3.78Å; I148-Y207 HydrophobicContact CD1-CD1 3.64Å; I148-Y207 HydrophobicContact CD1-CD2 4.12Å; I148-Y207 HydrophobicContact CD1-CE1 4.23Å; I148-Y207 HydrophobicContact CD1-CG 3.57Å; I148-Y207 HydrophobicContact CG1-CD1 3.73Å; I148-Y207 HydrophobicContact CG1-CD2 4.3Å; I148-Y207 HydrophobicContact CG1-CE1 3.78Å; I148-Y207 HydrophobicContact CG1-CE2 4.34Å; I148-Y207 HydrophobicContact CG1-CG 4Å; I148-Y207 HydrophobicContact CG2-CD2 4.25Å; I148-Y207 HydrophobicContact CG2-CE2 4.1Å
149I93.1Very high95.9Very high70 Ų7022.5 Ų22.536%0.35912%0.119SC..Hα-helixtrans-59.5-45.4-178.5-62.4171.8000111.1S147 R151 R152 W153S147-I149 VanDerWaalsContact C-N 3.35Å; I149-R151 VanDerWaalsContact C-N 3.31Å; I149-R151 PolarHBondContact O-N 3.49Å; I149-R152 PolarHBondContact O-N 3.21Å; I149-W153 WeakPolarHBondContact O-CB 3.43Å; I149-W153 PolarHBondContact O-N 3.3Å
150A94.9Very high95.6Very high9 Ų920.3 Ų20.37%0.07411%0.113CC..Hα-helixtrans-63.4-38.6178.400000112.1I127 L145 S147 I148 W153 I154I127-A150 HydrophobicContact CD1-CB 3.85Å; I127-A150 WeakPolarHBondContact CD1-O 3.18Å; L145-A150 HydrophobicContact CD1-CB 3.79Å; L145-A150 HydrophobicContact CD2-CB 3.81Å; L145-A150 HydrophobicContact CG-CB 4.27Å; S147-A150 WeakPolarHBondContact OG-CB 3.37Å; S147-A150 PolarHBondContact OG-N 3.1Å; I148-A150 PolarHBondContact O-N 2.96Å; A150-W153 PolarHBondContact O-N 2.83Å; A150-I154 WeakPolarHBondContact O-CG2 3.27Å; A150-I154 PolarHBondContact O-N 3.15Å
151R97.8Very high95.3Very high16 Ų1620.4 Ų20.46%0.0611%0.113CC..Hα-helixtrans-65.2-43.1176-71.9179.6172.388.4-4.5112.5L145 S147 I148 I149 W153 I154 N155 D179 G180 V200 Y207L145-R151 HydrophobicContact CB-CG 4.05Å; L145-R151 HydrophobicContact CD1-CG 3.95Å; L145-R151 PolarHBondContact O-NH1 2.83Å; L145-R151 VanDerWaalsContact O-NH1 3.08Å; L145-R151 PolarHBondContact O-NH2 3.41Å; S147-R151 WeakPolarHBondContact O-CG 3.19Å; S147-R151 PolarHBondContact O-N 2.97Å; S147-R151 PolarHBondContact O-NH1 3.21Å; I148-R151 WeakPolarHBondContact O-CB 3.17Å; I148-R151 PolarHBondContact O-N 2.76Å; I148-R151 VanDerWaalsContact O-N 3.15Å; I149-R151 VanDerWaalsContact C-N 3.31Å; I149-R151 PolarHBondContact O-N 3.49Å; R151-W153 VanDerWaalsContact C-N 3.32Å; R151-I154 WeakPolarHBondContact O-CG2 3.43Å; R151-N155 VanDerWaalsContact O-CB 3.28Å; R151-N155 WeakPolarHBondContact O-CB 3.48Å; R151-N155 PolarHBondContact O-N 2.98Å; R151-D179 WeakPolarHBondContact CD-OD1 3.45Å; R151-D179 IonicContact CZ-OD1 2.83Å; R151-D179 IonicContact NE-OD1 3.46Å; R151-D179 PolarHBondContact NE-OD1 2.86Å; R151-D179 IonicContact NE-OD2 2.72Å; R151-D179 PolarHBondContact NE-OD2 3.44Å; R151-G180 PolarHBondContact NH2-O 3.32Å; R151-V200 HydrophobicContact CB-CG1 4.22Å; R151-Y207 WeakPolarHBondContact CD-OH 3.3Å
152R96.3Very high95Very high8 Ų821.4 Ų21.43%0.0312%0.119CC..Hα-helixtrans-61.9-41.9174.5-68.1-17666.7-177.3-0.5111.5I148 I149 N155 G156 V200 E201 L204 L374 Q375 T429I148-R152 HydrophobicContact CG2-CG 4.1Å; I148-R152 VanDerWaalsContact O-CG 3.32Å; I148-R152 WeakPolarHBondContact O-CG 3.41Å; I148-R152 PolarHBondContact O-N 3.08Å; I149-R152 PolarHBondContact O-N 3.21Å; R152-N155 WeakPolarHBondContact O-CB 3.23Å; R152-N155 PolarHBondContact O-N 2.93Å; R152-G156 PolarHBondContact O-N 3.4Å; R152-V200 HydrophobicContact CG-CG1 4.17Å; R152-E201 WeakPolarHBondContact CB-OE1 3.25Å; R152-E201 WeakPolarHBondContact CG-OE1 3.11Å; R152-E201 IonicContact CZ-OE1 3.05Å; R152-E201 IonicContact NE-OE1 3.67Å; R152-E201 PolarHBondContact NE-OE1 3.34Å; R152-E201 IonicContact NH2-OE1 3.62Å; R152-L204 HydrophobicContact CG-CD1 4.4Å; R152-L374 PolarHBondContact NH1-O 3.04Å; R152-L374 PolarHBondContact NH2-O 3.15Å; R152-Q375 PolarHBondContact NH1-O 2.68Å; R152-T429 CarbonylContact C-O 3.56Å; R152-T429 VanDerWaalsContact CB-O 3.25Å; R152-T429 WeakPolarHBondContact CB-O 3.34Å; R152-T429 PolarHBondContact NH2-OG1 3.39Å
153W96.9Very high94.6Very high23 Ų2325.6 Ų25.69%0.08714%0.138CC..Hα-helixtrans-64.2-50.3-179.6-17193.9000112.2I127 Q128 Y135 I149 A150 R151 N155 G156 M157 T429 P431I127-W153 HydrophobicContact CB-CE3 4.18Å; I127-W153 HydrophobicContact CB-CZ3 4Å; I127-W153 HydrophobicContact CD1-CD2 4.4Å; I127-W153 HydrophobicContact CD1-CE3 3.7Å; I127-W153 HydrophobicContact CD1-CZ3 4.38Å; I127-W153 HydrophobicContact CG1-CD2 4.41Å; I127-W153 HydrophobicContact CG1-CE3 3.76Å; I127-W153 HydrophobicContact CG1-CZ3 4.08Å; I127-W153 WeakPolarHBondContact O-CH2 3.4Å; I127-W153 WeakPolarHBondContact O-CZ3 3.39Å; Q128-W153 HydrophobicContact CB-CZ2 4.27Å; Q128-W153 HydrophobicContact CG-CD2 3.97Å; Q128-W153 HydrophobicContact CG-CG 4.13Å; Q128-W153 HydrophobicContact CG-CZ2 4.22Å; Y135-W153 AromaticContact CE2-CH2 3.87Å; Y135-W153 HydrophobicContact CE2-CH2 3.87Å; Y135-W153 AromaticContact CE2-CZ3 3.91Å; Y135-W153 HydrophobicContact CE2-CZ3 3.91Å; Y135-W153 AromaticContact CZ-CZ3 3.9Å; I149-W153 WeakPolarHBondContact O-CB 3.43Å; I149-W153 PolarHBondContact O-N 3.3Å; A150-W153 PolarHBondContact O-N 2.83Å; R151-W153 VanDerWaalsContact C-N 3.32Å; W153-N155 VanDerWaalsContact C-N 3.27Å; W153-N155 PolarHBondContact O-N 3.07Å; W153-G156 PolarHBondContact O-N 3.42Å; W153-M157 HydrophobicContact CE3-CB 4.5Å; W153-M157 HydrophobicContact CH2-CE 3.44Å; W153-M157 VanDerWaalsContact CH2-CE 3.44Å; W153-M157 HydrophobicContact CZ2-CE 3.78Å; W153-M157 HydrophobicContact CZ3-CB 4.21Å; W153-M157 HydrophobicContact CZ3-CE 4.18Å; W153-M157 HydrophobicContact CZ3-CG 4.46Å; W153-M157 PolarHBondContact O-N 2.91Å; W153-T429 WeakPolarHBondContact CA-O 3.29Å; W153-T429 PolarHBondContact N-O 2.71Å; W153-T429 VanDerWaalsContact N-O 3.1Å; W153-P431 HydrophobicContact CD2-CG 4.44Å; W153-P431 HydrophobicContact CZ2-CB 4.17Å; W153-P431 HydrophobicContact CZ2-CG 4.45Å; W153-P431 WeakPolarHBondContact O-CD 3.27Å
154I97.9Very high94.1Very high1 Ų128.1 Ų28.11%0.00515%0.148CC..Hα-helixtrans-66.6-31.8177.6-169.665.5000111.6I54 I127 Y135 I141 L145 A150 R151 M157 L158I54-I154 HydrophobicContact CD1-CB 4.47Å; I54-I154 HydrophobicContact CD1-CD1 3.71Å; I54-I154 HydrophobicContact CD1-CG1 3.7Å; I127-I154 HydrophobicContact CD1-CB 4.48Å; Y135-I154 HydrophobicContact CD1-CD1 3.9Å; Y135-I154 HydrophobicContact CE1-CD1 3.62Å; I141-I154 HydrophobicContact CD1-CD1 4.47Å; L145-I154 HydrophobicContact CD1-CG2 4.26Å; A150-I154 WeakPolarHBondContact O-CG2 3.27Å; A150-I154 PolarHBondContact O-N 3.15Å; R151-I154 WeakPolarHBondContact O-CG2 3.43Å; I154-M157 HydrophobicContact CD1-CB 4.26Å; I154-M157 HydrophobicContact CD1-CG 4.41Å; I154-M157 WeakPolarHBondContact O-CB 3.47Å; I154-M157 PolarHBondContact O-N 2.9Å; I154-L158 WeakPolarHBondContact O-CG 3.17Å; I154-L158 PolarHBondContact O-N 3.03Å
155N97.3Very high93.7Very high0 Ų033.6 Ų33.60%017%0.171CC..Hα-helixtrans-59.1-52.3172.1-176.278.6000111R151 R152 W153 M157 L158 M159 C199 V200 E201R151-N155 VanDerWaalsContact O-CB 3.28Å; R151-N155 WeakPolarHBondContact O-CB 3.48Å; R151-N155 PolarHBondContact O-N 2.98Å; R152-N155 WeakPolarHBondContact O-CB 3.23Å; R152-N155 PolarHBondContact O-N 2.93Å; W153-N155 VanDerWaalsContact C-N 3.27Å; W153-N155 PolarHBondContact O-N 3.07Å; N155-M157 VanDerWaalsContact C-N 3.3Å; N155-M157 PolarHBondContact O-N 3.45Å; N155-L158 PolarHBondContact O-N 3.12Å; N155-M159 VanDerWaalsContact O-CG 3.32Å; N155-M159 WeakPolarHBondContact O-CG 3.42Å; N155-M159 PolarHBondContact O-N 2.81Å; N155-C199 WeakPolarHBondContact OD1-CB 3.21Å; N155-V200 HydrophobicContact CB-CB 3.81Å; N155-V200 HydrophobicContact CB-CG2 3.74Å; N155-V200 PolarHBondContact OD1-N 3.29Å; N155-E201 PolarHBondContact ND2-OE2 3.34Å
156G94.9Very high93.3Very high0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-60.9-37.1176.700000113.1R152 W153 L158 M159 S160 Q432R152-G156 PolarHBondContact O-N 3.4Å; W153-G156 PolarHBondContact O-N 3.42Å; G156-L158 PolarHBondContact O-N 2.86Å; G156-M159 PolarHBondContact O-N 3.43Å; G156-S160 PolarHBondContact O-N 2.81Å; G156-Q432 VanDerWaalsContact O-CD 3.3Å; G156-Q432 WeakPolarHBondContact O-CG 3.44Å
157M96.2Very high92.9Very high8 Ų838.1 Ų38.14%0.03921%0.211CC..Hα-helixtrans-58.4-47.9174.7179.255.673.200111E132 Y135 W153 I154 N155 S160 F161 P431E132-M157 HydrophobicContact CB-SD 4.42Å; E132-M157 HydrophobicContact CG-CE 4.16Å; E132-M157 HydrophobicContact CG-SD 3.82Å; Y135-M157 HydrophobicContact CD2-CE 4.16Å; Y135-M157 HydrophobicContact CD2-CG 3.7Å; Y135-M157 HydrophobicContact CD2-SD 4.05Å; Y135-M157 HydrophobicContact CE2-CE 4.22Å; Y135-M157 HydrophobicContact CE2-CG 4.18Å; Y135-M157 HydrophobicContact CG-CG 4.06Å; W153-M157 HydrophobicContact CE3-CB 4.5Å; W153-M157 HydrophobicContact CH2-CE 3.44Å; W153-M157 VanDerWaalsContact CH2-CE 3.44Å; W153-M157 HydrophobicContact CZ2-CE 3.78Å; W153-M157 HydrophobicContact CZ3-CB 4.21Å; W153-M157 HydrophobicContact CZ3-CE 4.18Å; W153-M157 HydrophobicContact CZ3-CG 4.46Å; W153-M157 PolarHBondContact O-N 2.91Å; I154-M157 HydrophobicContact CD1-CB 4.26Å; I154-M157 HydrophobicContact CD1-CG 4.41Å; I154-M157 WeakPolarHBondContact O-CB 3.47Å; I154-M157 PolarHBondContact O-N 2.9Å; N155-M157 VanDerWaalsContact C-N 3.3Å; N155-M157 PolarHBondContact O-N 3.45Å; M157-S160 WeakPolarHBondContact O-CB 3.05Å; M157-S160 PolarHBondContact O-N 3.32Å; M157-S160 VanDerWaalsContact O-N 3.12Å; M157-S160 PolarHBondContact O-OG 3.31Å; M157-F161 HydrophobicContact CG-CE1 4.4Å; M157-F161 HydrophobicContact CG-CE2 4.26Å; M157-F161 HydrophobicContact CG-CZ 3.77Å; M157-F161 HydrophobicContact SD-CE1 3.58Å; M157-F161 VanDerWaalsContact SD-CE1 3.58Å; M157-F161 HydrophobicContact SD-CE2 4.42Å; M157-F161 HydrophobicContact SD-CZ 3.4Å; M157-F161 WeakPolarHBondContact SD-CZ 3.43Å; M157-P431 HydrophobicContact CB-CG 3.95Å; M157-P431 HydrophobicContact CE-CB 4.26Å; M157-P431 HydrophobicContact CE-CG 4.28Å; M157-P431 VanDerWaalsContact N-CG 3.27Å
158L96.6Very high92.8Very high2 Ų241 Ų411%0.0123%0.227CC..Hα-helixtrans-70.4-33.2179.8-66.7-176.7000113.3I141 I154 N155 G156 S160 F161 I175 L177 P194I141-L158 HydrophobicContact CD1-CD1 4.31Å; I141-L158 HydrophobicContact CD1-CD2 3.73Å; I141-L158 HydrophobicContact CD1-CG 4.44Å; I154-L158 WeakPolarHBondContact O-CG 3.17Å; I154-L158 PolarHBondContact O-N 3.03Å; N155-L158 PolarHBondContact O-N 3.12Å; G156-L158 PolarHBondContact O-N 2.86Å; L158-S160 PolarHBondContact O-N 3.02Å; L158-F161 HydrophobicContact CD2-CD2 4Å; L158-F161 HydrophobicContact CD2-CE2 3.95Å; L158-F161 PolarHBondContact O-N 3.28Å; L158-I175 HydrophobicContact CD2-CB 3.95Å; L158-I175 HydrophobicContact CD2-CD1 4.32Å; L158-I175 HydrophobicContact CD2-CG2 4.2Å; L158-L177 HydrophobicContact CD1-CB 3.63Å; L158-L177 HydrophobicContact CD1-CD1 4.21Å; L158-L177 HydrophobicContact CD1-CD2 4.12Å; L158-L177 HydrophobicContact CD1-CG 4.19Å; L158-P194 HydrophobicContact CB-CG 4.01Å
159M94.5Very high92.8Very high8 Ų840.4 Ų40.44%0.03922%0.224CC..Hα-helixtrans-63.5-29.7171-63.7-59.8147.800111.8N155 G156 F161 L162 P194 C199 C346 Q432N155-M159 VanDerWaalsContact O-CG 3.32Å; N155-M159 WeakPolarHBondContact O-CG 3.42Å; N155-M159 PolarHBondContact O-N 2.81Å; G156-M159 PolarHBondContact O-N 3.43Å; M159-F161 PolarHBondContact O-N 3.29Å; M159-L162 WeakPolarHBondContact O-CB 3.3Å; M159-L162 WeakPolarHBondContact O-CG 3.45Å; M159-L162 PolarHBondContact O-N 2.62Å; M159-L162 HydrophobicContact SD-CD1 3.86Å; M159-P194 HydrophobicContact CE-CB 3.61Å; M159-P194 HydrophobicContact CE-CG 4.03Å; M159-P194 HydrophobicContact SD-CB 3.86Å; M159-C199 HydrophobicContact CE-CB 3.51Å; M159-C346 HydrophobicContact CE-CB 4.19Å; M159-C346 HydrophobicContact CG-CB 4.45Å; M159-C346 HydrophobicContact SD-CB 3.56Å; M159-C346 VanDerWaalsContact SD-CB 3.56Å; M159-Q432 PolarHBondContact O-NE2 3.16Å
160S92.1Very high92.8Very high35 Ų3539.3 Ų39.325%0.24522%0.219CC..THydrogen-bonded Turntrans-69.8-16.1-179.7820000113.8G156 M157 L158G156-S160 PolarHBondContact O-N 2.81Å; M157-S160 WeakPolarHBondContact O-CB 3.05Å; M157-S160 PolarHBondContact O-N 3.32Å; M157-S160 VanDerWaalsContact O-N 3.12Å; M157-S160 PolarHBondContact O-OG 3.31Å; L158-S160 PolarHBondContact O-N 3.02Å
161F92.4Very high92.7Very high6 Ų643.4 Ų43.43%0.02624%0.244CC..THydrogen-bonded Turntrans-86.9-18.4-179.9-59.9-16000113.1E132 R136 M157 L158 M159 H163 S173 I175E132-F161 HydrophobicContact CB-CE1 3.72Å; E132-F161 HydrophobicContact CB-CZ 4.17Å; E132-F161 HydrophobicContact CG-CE1 3.9Å; E132-F161 WeakPolarHBondContact O-CZ 3.41Å; R136-F161 HydrophobicContact CG-CD1 4.03Å; R136-F161 HydrophobicContact CG-CD2 3.93Å; R136-F161 HydrophobicContact CG-CE1 3.94Å; R136-F161 HydrophobicContact CG-CE2 3.82Å; R136-F161 HydrophobicContact CG-CG 4.03Å; R136-F161 HydrophobicContact CG-CZ 3.83Å; R136-F161 VanDerWaalsContact NH2-CD1 3.26Å; M157-F161 HydrophobicContact CG-CE1 4.4Å; M157-F161 HydrophobicContact CG-CE2 4.26Å; M157-F161 HydrophobicContact CG-CZ 3.77Å; M157-F161 HydrophobicContact SD-CE1 3.58Å; M157-F161 VanDerWaalsContact SD-CE1 3.58Å; M157-F161 HydrophobicContact SD-CE2 4.42Å; M157-F161 HydrophobicContact SD-CZ 3.4Å; M157-F161 WeakPolarHBondContact SD-CZ 3.43Å; L158-F161 HydrophobicContact CD2-CD2 4Å; L158-F161 HydrophobicContact CD2-CE2 3.95Å; L158-F161 PolarHBondContact O-N 3.28Å; M159-F161 PolarHBondContact O-N 3.29Å; F161-H163 PolarHBondContact O-N 3.05Å; F161-S173 WeakPolarHBondContact O-CB 3.16Å; F161-I175 HydrophobicContact CD2-CD1 3.78Å; F161-I175 HydrophobicContact CE2-CD1 4.1Å
162L92.6Very high92.5Very high21 Ų2147.5 Ų47.511%0.1128%0.275CS..  trans-61.9125.3-175.4-61.1-176.2000110.8M159 Y164 L169 I174 P194M159-L162 WeakPolarHBondContact O-CB 3.3Å; M159-L162 WeakPolarHBondContact O-CG 3.45Å; M159-L162 PolarHBondContact O-N 2.62Å; M159-L162 HydrophobicContact SD-CD1 3.86Å; L162-Y164 HydrophobicContact CB-CD2 4.37Å; L162-Y164 HydrophobicContact CB-CE2 3.68Å; L162-Y164 HydrophobicContact CD1-CE2 4.32Å; L162-L169 HydrophobicContact CB-CD1 3.99Å; L162-L169 HydrophobicContact CD2-CD1 4.05Å; L162-L169 HydrophobicContact CG-CD1 4.41Å; L162-I174 HydrophobicContact CD2-CG1 3.98Å; L162-P194 HydrophobicContact CD1-CB 4.07Å; L162-P194 HydrophobicContact CD2-CB 3.82Å; L162-P194 HydrophobicContact CG-CB 4.25Å
163H89.5Confident92.5Very high89 Ų8947.9 Ų47.941%0.41228%0.279SS..  trans-105.7133.2175.6-173.3-116.5000109.5F161 E165 L169 D170 S173F161-H163 PolarHBondContact O-N 3.05Å; H163-E165 WeakPolarHBondContact CE1-CG 3.49Å; H163-E165 IonicContact CE1-OE1 3.98Å; H163-E165 PolarHBondContact CE1-OE1 2.95Å; H163-E165 VanDerWaalsContact CE1-OE1 3.25Å; H163-E165 IonicContact ND1-OE1 3.89Å; H163-L169 WeakPolarHBondContact O-CD1 3.13Å; H163-D170 HydrophobicContact CB-CB 4.3Å; H163-D170 PolarHBondContact O-N 3.23Å; H163-S173 PolarHBondContact N-OG 3.08Å
164Y88.4Confident92.5Very high54 Ų5447.9 Ų47.921%0.21228%0.281CS..EExtended strand (participates in β ladder)trans-121.6118.7178.4-69.5-96.6000109.1L162 V168 L169 Q348L162-Y164 HydrophobicContact CB-CD2 4.37Å; L162-Y164 HydrophobicContact CB-CE2 3.68Å; L162-Y164 HydrophobicContact CD1-CE2 4.32Å; Y164-V168 CarbonylContact C-O 3.21Å; Y164-V168 VanDerWaalsContact CA-O 3.31Å; Y164-V168 WeakPolarHBondContact CA-O 3.32Å; Y164-L169 HydrophobicContact CD1-CB 4Å; Y164-L169 HydrophobicContact CD1-CD1 4.29Å; Y164-L169 HydrophobicContact CD2-CD1 4.29Å; Y164-L169 HydrophobicContact CE1-CB 3.67Å; Y164-L169 HydrophobicContact CE1-CD1 3.87Å; Y164-L169 HydrophobicContact CE1-CG 4.25Å; Y164-L169 HydrophobicContact CE2-CD1 3.85Å; Y164-L169 HydrophobicContact CG-CD1 4.5Å; Y164-Q348 HydrophobicContact CD1-CG 4.48Å; Y164-Q348 HydrophobicContact CE1-CG 4.08Å; Y164-Q348 HydrophobicContact CE2-CG 4.14Å; Y164-Q348 VanDerWaalsContact CZ-NE2 3.33Å; Y164-Q348 PolarHBondContact OH-NE2 2.79Å
165E87.1Confident92.6Very high124 Ų12448.5 Ų48.558%0.57928%0.284SS*.EExtended strand (participates in β ladder)trans-101.6115.9173.1-65.1-173.1177.100108.3H163 G167 V168H163-E165 WeakPolarHBondContact CE1-CG 3.49Å; H163-E165 IonicContact CE1-OE1 3.98Å; H163-E165 PolarHBondContact CE1-OE1 2.95Å; H163-E165 VanDerWaalsContact CE1-OE1 3.25Å; H163-E165 IonicContact ND1-OE1 3.89Å; E165-G167 PolarHBondContact O-N 2.87Å; E165-G167 VanDerWaalsContact O-N 3.08Å; E165-V168 PolarHBondContact N-O 2.97Å; E165-V168 WeakPolarHBondContact O-CB 3.31Å; E165-V168 PolarHBondContact O-N 2.99Å
166D85.1Confident92.6Very high174 Ų17449.4 Ų49.493%0.9329%0.29SS*.THydrogen-bonded Turntrans50.735.2-177.7-62.5-39.5000114.3V168D166-V168 VanDerWaalsContact C-N 3.29Å; D166-V168 PolarHBondContact O-N 2.86Å
167G83.3Confident92.8Very high67 Ų6749.4 Ų49.469%0.69129%0.29SS*.THydrogen-bonded Turntrans82.8-0.7-179.100000114.8E165E165-G167 PolarHBondContact O-N 2.87Å; E165-G167 VanDerWaalsContact O-N 3.08Å
168V89.6Confident92.9Very high105 Ų10549.1 Ų49.164%0.63629%0.288SS*.EExtended strand (participates in β ladder)trans-95.3127.6173.4-175.20000109.2Y164 E165 D166 D170Y164-V168 CarbonylContact C-O 3.21Å; Y164-V168 VanDerWaalsContact CA-O 3.31Å; Y164-V168 WeakPolarHBondContact CA-O 3.32Å; E165-V168 PolarHBondContact N-O 2.97Å; E165-V168 WeakPolarHBondContact O-CB 3.31Å; E165-V168 PolarHBondContact O-N 2.99Å; D166-V168 VanDerWaalsContact C-N 3.29Å; D166-V168 PolarHBondContact O-N 2.86Å; V168-D170 PolarHBondContact O-N 3.48Å
169L91.9Very high93Very high29 Ų2949.1 Ų49.115%0.15229%0.288CS..EExtended strand (participates in β ladder)trans-69.7126.4177.8179.556.4000110.5L162 H163 Y164 P171 I174 M196L162-L169 HydrophobicContact CB-CD1 3.99Å; L162-L169 HydrophobicContact CD2-CD1 4.05Å; L162-L169 HydrophobicContact CG-CD1 4.41Å; H163-L169 WeakPolarHBondContact O-CD1 3.13Å; Y164-L169 HydrophobicContact CD1-CB 4Å; Y164-L169 HydrophobicContact CD1-CD1 4.29Å; Y164-L169 HydrophobicContact CD2-CD1 4.29Å; Y164-L169 HydrophobicContact CE1-CB 3.67Å; Y164-L169 HydrophobicContact CE1-CD1 3.87Å; Y164-L169 HydrophobicContact CE1-CG 4.25Å; Y164-L169 HydrophobicContact CE2-CD1 3.85Å; Y164-L169 HydrophobicContact CG-CD1 4.5Å; L169-P171 VanDerWaalsContact O-CD 3.25Å; L169-P171 WeakPolarHBondContact O-CD 3.01Å; L169-I174 HydrophobicContact CD2-CD1 3.73Å; L169-I174 HydrophobicContact CD2-CG1 4.26Å; L169-I174 HydrophobicContact CG-CD1 4.17Å; L169-I174 HydrophobicContact CG-CG1 4.45Å; L169-M196 HydrophobicContact CD2-CG 3.85Å
170D93.4Very high93.2Very high47 Ų4748.8 Ų48.825%0.25129%0.287SS..  trans-74.1113.7169.1172.714.6000109.9H163 V168 S172 S173H163-D170 HydrophobicContact CB-CB 4.3Å; H163-D170 PolarHBondContact O-N 3.23Å; V168-D170 PolarHBondContact O-N 3.48Å; D170-S172 VanDerWaalsContact CG-OG 3.28Å; D170-S172 PolarHBondContact O-N 2.89Å; D170-S172 WeakPolarHBondContact OD1-CB 3.47Å; D170-S172 PolarHBondContact OD1-N 2.95Å; D170-S172 PolarHBondContact OD1-OG 3.48Å; D170-S172 VanDerWaalsContact OD1-OG 3.1Å; D170-S172 PolarHBondContact OD2-OG 3.3Å; D170-S173 PolarHBondContact O-N 3.43Å; D170-S173 PolarHBondContact O-OG 3.17Å
171P93.3Very high93.4Very high95 Ų9547.4 Ų47.462%0.61728%0.278SS*.G310 helixtrans-61.5-25.1-179.6-21.634.5000113.8L169 S173 I174L169-P171 VanDerWaalsContact O-CD 3.25Å; L169-P171 WeakPolarHBondContact O-CD 3.01Å; P171-S173 PolarHBondContact O-N 3.39Å; P171-I174 WeakPolarHBondContact O-CB 3.5Å; P171-I174 PolarHBondContact O-N 2.79Å
172S94.2Very high93.6Very high101 Ų10148.7 Ų48.771%0.70629%0.286SS*.G310 helixtrans-70.8-20.5-178.886.60000113.2D170 I174D170-S172 VanDerWaalsContact CG-OG 3.28Å; D170-S172 PolarHBondContact O-N 2.89Å; D170-S172 WeakPolarHBondContact OD1-CB 3.47Å; D170-S172 PolarHBondContact OD1-N 2.95Å; D170-S172 PolarHBondContact OD1-OG 3.48Å; D170-S172 VanDerWaalsContact OD1-OG 3.1Å; D170-S172 PolarHBondContact OD2-OG 3.3Å; S172-I174 VanDerWaalsContact C-N 3.28Å
173S95.3Very high93.7Very high16 Ų1652.6 Ų52.611%0.11230%0.304CS..G310 helixtrans-79.8-9.9176.373.60000113.6F161 H163 D170 P171F161-S173 WeakPolarHBondContact O-CB 3.16Å; H163-S173 PolarHBondContact N-OG 3.08Å; D170-S173 PolarHBondContact O-N 3.43Å; D170-S173 PolarHBondContact O-OG 3.17Å; P171-S173 PolarHBondContact O-N 3.39Å
174I97.8Very high94Very high24 Ų2449.1 Ų49.112%0.12329%0.292CS..  trans-84126.9-175.1-56.4177.7000110L162 L169 P171 S172 I193 M196L162-I174 HydrophobicContact CD2-CG1 3.98Å; L169-I174 HydrophobicContact CD2-CD1 3.73Å; L169-I174 HydrophobicContact CD2-CG1 4.26Å; L169-I174 HydrophobicContact CG-CD1 4.17Å; L169-I174 HydrophobicContact CG-CG1 4.45Å; P171-I174 WeakPolarHBondContact O-CB 3.5Å; P171-I174 PolarHBondContact O-N 2.79Å; S172-I174 VanDerWaalsContact C-N 3.28Å; I174-I193 HydrophobicContact CD1-CG2 4.33Å; I174-I193 HydrophobicContact CG2-CG2 3.75Å; I174-M196 HydrophobicContact CD1-CG 4.13Å; I174-M196 HydrophobicContact CD1-SD 3.68Å
175I98.6Very high94.4Very high14 Ų1451.1 Ų51.17%0.07230%0.303CS..  trans-111.3108.7167.2-56.2-179.8000107.9Y135 I141 L158 F161 L177 P194Y135-I175 WeakPolarHBondContact O-CD1 3.39Å; I141-I175 HydrophobicContact CD1-CG2 4.22Å; I141-I175 HydrophobicContact CG1-CG2 3.86Å; L158-I175 HydrophobicContact CD2-CB 3.95Å; L158-I175 HydrophobicContact CD2-CD1 4.32Å; L158-I175 HydrophobicContact CD2-CG2 4.2Å; F161-I175 HydrophobicContact CD2-CD1 3.78Å; F161-I175 HydrophobicContact CE2-CD1 4.1Å; I175-L177 PolarHBondContact O-N 3.21Å; I175-P194 WeakPolarHBondContact O-CD 3.37Å; I175-P194 WeakPolarHBondContact O-CG 3.14Å
176P98.7Very high94.9Very high18 Ų1851.1 Ų51.112%0.11730%0.3CS..  trans-55.6136.3175.5-28.936.3000112.8H139 I141 I193 I310H139-P176 WeakPolarHBondContact O-CD 3.3Å; I141-P176 PolarHBondContact N-O 3.19Å; P176-I193 HydrophobicContact CB-CD1 3.9Å; P176-I193 HydrophobicContact CG-CD1 4.1Å; P176-I310 HydrophobicContact CB-CD1 4.26Å; P176-I310 HydrophobicContact CB-CG2 3.98Å; P176-I310 HydrophobicContact CG-CG2 3.82Å
177L98.8Very high95.5Very high1 Ų143.1 Ų43.11%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-116123.5177.7173.363.7000110I141 L158 I175 I192I141-L177 HydrophobicContact CB-CD1 4.28Å; I141-L177 HydrophobicContact CG2-CD1 4.06Å; I141-L177 WeakPolarHBondContact O-CA 3.33Å; L158-L177 HydrophobicContact CD1-CB 3.63Å; L158-L177 HydrophobicContact CD1-CD1 4.21Å; L158-L177 HydrophobicContact CD1-CD2 4.12Å; L158-L177 HydrophobicContact CD1-CG 4.19Å; I175-L177 PolarHBondContact O-N 3.21Å; L177-I192 HydrophobicContact CB-CB 4.14Å; L177-I192 HydrophobicContact CD2-CD1 4Å; L177-I192 HydrophobicContact CG-CD1 4.48Å; L177-I192 PolarHBondContact N-O 3.4Å; L177-I192 PolarHBondContact O-N 3.07Å
178I98.8Very high96.2Very high1 Ų141.3 Ų41.31%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-107.6125.9170.4-61.777.2000107.4I140 I141 V142 C143 R190 V191 C303 E306 V307 I310I140-I178 HydrophobicContact CG2-CD1 3.36Å; I141-I178 PolarHBondContact O-N 2.99Å; V142-I178 CarbonylContact C-O 3.49Å; V142-I178 VanDerWaalsContact CA-O 3.25Å; V142-I178 WeakPolarHBondContact CA-O 3.38Å; V142-I178 HydrophobicContact CG1-CB 4.1Å; V142-I178 HydrophobicContact CG1-CG2 4.17Å; C143-I178 PolarHBondContact N-O 3.18Å; I178-R190 WeakPolarHBondContact CA-O 3.12Å; I178-V191 HydrophobicContact CG1-CG2 4.36Å; I178-C303 HydrophobicContact CG2-CB 3.55Å; I178-E306 HydrophobicContact CG1-CB 4.31Å; I178-V307 HydrophobicContact CB-CG2 4.3Å; I178-V307 HydrophobicContact CD1-CG2 3.83Å; I178-V307 HydrophobicContact CG1-CG2 3.93Å; I178-I310 HydrophobicContact CD1-CD1 3.79Å; I178-I310 HydrophobicContact CG1-CD1 4.2Å
179D98.6Very high96.6Very high2 Ų236.4 Ų36.41%0.01120%0.204CC..EExtended strand (participates in β ladder)trans-123.3131.7-179.9174.671.5000111C143 R151 A189 R190C143-D179 HydrophobicContact CB-CB 4.27Å; C143-D179 WeakPolarHBondContact CB-OD1 3.3Å; R151-D179 WeakPolarHBondContact CD-OD1 3.45Å; R151-D179 IonicContact CZ-OD1 2.83Å; R151-D179 IonicContact NE-OD1 3.46Å; R151-D179 PolarHBondContact NE-OD1 2.86Å; R151-D179 IonicContact NE-OD2 2.72Å; R151-D179 PolarHBondContact NE-OD2 3.44Å; D179-A189 CarbonylContact O-C 3.55Å; D179-A189 WeakPolarHBondContact O-CA 3.4Å; D179-R190 HydrophobicContact CB-CG 3.84Å; D179-R190 PolarHBondContact N-O 2.93Å; D179-R190 WeakPolarHBondContact O-CG 3.21Å; D179-R190 PolarHBondContact O-N 2.69Å; D179-R190 IonicContact OD2-CZ 3.64Å; D179-R190 IonicContact OD2-NE 3.86Å; D179-R190 PolarHBondContact OD2-NE 3.39Å; D179-R190 IonicContact OD2-NH2 2.61Å; D179-R190 PolarHBondContact OD2-NH2 3.19Å
180G98.1Very high96.9Very high1 Ų135.2 Ų35.21%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-115.6143.9174.500000111.4L59 C143 R151 N188L59-G180 WeakPolarHBondContact CD1-O 3.24Å; C143-G180 PolarHBondContact O-N 3.07Å; R151-G180 PolarHBondContact NH2-O 3.32Å; G180-N188 WeakPolarHBondContact CA-O 3.3Å
181G96.8Very high97.1Very high6 Ų633.2 Ų33.26%0.06219%0.187CC..EExtended strand (participates in β ladder)trans-135.7145.7173.400000111.3G187 N188G181-G187 CarbonylContact O-C 3.46Å; G181-G187 WeakPolarHBondContact O-CA 3.35Å; G181-N188 PolarHBondContact N-O 3.22Å; G181-N188 PolarHBondContact O-N 3.41Å
182T96.3Very high97.4Very high33 Ų3328.8 Ų28.820%0.20216%0.158CC..EExtended strand (participates in β ladder)trans-143.3136.1178.9600000111.4L59 K186 T295 N296 I299L59-T182 HydrophobicContact CD1-CG2 4.17Å; L59-T182 HydrophobicContact CD2-CG2 3.83Å; L59-T182 HydrophobicContact CG-CG2 4.11Å; T182-K186 WeakPolarHBondContact CA-O 3.34Å; T182-T295 HydrophobicContact CG2-CG2 4.07Å; T182-N296 PolarHBondContact OG1-OD1 3.34Å; T182-I299 HydrophobicContact CG2-CB 3.99Å; T182-I299 HydrophobicContact CG2-CG1 3.81Å; T182-I299 HydrophobicContact CG2-CG2 4.39Å
183E94.6Very high97.6Very high103 Ų10325.7 Ų25.748%0.48113%0.134SC..EExtended strand (participates in β ladder)trans-143.2113.4172.4-60.7-171.9-174.600109.5F185 K186 I289E183-F185 PolarHBondContact O-N 2.9Å; E183-F185 VanDerWaalsContact O-N 3.1Å; E183-K186 PolarHBondContact N-O 3.39Å; E183-K186 PolarHBondContact O-N 2.96Å; E183-I289 HydrophobicContact CB-CG2 3.91Å; E183-I289 HydrophobicContact CG-CG2 3.8Å
184G94.8Very high97.7Very high16 Ų1625 Ų2517%0.16513%0.128CC..BIsolated β-bridgetrans57-115.6-175.100000111.5P290 T295G184-P290 VanDerWaalsContact CA-O 3.3Å; G184-P290 WeakPolarHBondContact CA-O 3.35Å; G184-P290 PolarHBondContact N-O 2.78Å; G184-T295 WeakPolarHBondContact O-CB 3.19Å; G184-T295 PolarHBondContact O-OG1 3.37Å; G184-T295 VanDerWaalsContact O-OG1 3.07Å
185F97.1Very high97.4Very high97 Ų9724.1 Ų24.143%0.42513%0.126SC..THydrogen-bonded Turntrans-100.210.1179.9-66.6-59.9000113.6E183 V292 N325 D326 V327E183-F185 PolarHBondContact O-N 2.9Å; E183-F185 VanDerWaalsContact O-N 3.1Å; F185-V292 HydrophobicContact CD1-CG2 4.16Å; F185-V292 HydrophobicContact CE1-CG2 4Å; F185-N325 WeakPolarHBondContact O-CA 3.3Å; F185-D326 WeakPolarHBondContact CB-OD1 3.47Å; F185-D326 WeakPolarHBondContact CD1-OD1 3.39Å; F185-D326 WeakPolarHBondContact CG-OD1 3.44Å; F185-D326 PolarHBondContact O-N 2.55Å; F185-V327 HydrophobicContact CB-CG2 3.76Å; F185-V327 HydrophobicContact CD2-CG2 4.38Å
186K97.6Very high97.3Very high123 Ų12329 Ų2954%0.53515%0.149SC..EExtended strand (participates in β ladder)trans-114150.6177.6-62.6178.7-178178.70109.9T182 E183 T295 F324 N325T182-K186 WeakPolarHBondContact CA-O 3.34Å; E183-K186 PolarHBondContact N-O 3.39Å; E183-K186 PolarHBondContact O-N 2.96Å; K186-T295 WeakPolarHBondContact O-CG2 3.2Å; K186-F324 WeakPolarHBondContact CA-O 3.15Å; K186-N325 HydrophobicContact CG-CB 4.4Å
187G97.6Very high97.2Very high7 Ų729.7 Ų29.77%0.07215%0.153CC..EExtended strand (participates in β ladder)trans-160171.6172.400000112.1G181 F324G181-G187 CarbonylContact O-C 3.46Å; G181-G187 WeakPolarHBondContact O-CA 3.35Å; G187-F324 PolarHBondContact N-O 2.94Å; G187-F324 PolarHBondContact O-N 2.93Å
188N98.1Very high97.2Very high28 Ų2830 Ų3015%0.1516%0.156CC..EExtended strand (participates in β ladder)trans-144.2150.6174.367.6-80.9000110.2G180 G181 I299 Y321 L322G180-N188 WeakPolarHBondContact CA-O 3.3Å; G181-N188 PolarHBondContact N-O 3.22Å; G181-N188 PolarHBondContact O-N 3.41Å; N188-I299 VanDerWaalsContact O-CG2 3.27Å; N188-I299 WeakPolarHBondContact O-CG2 3.44Å; N188-Y321 HydrophobicContact CB-CE1 3.75Å; N188-Y321 PolarHBondContact ND2-OH 3.42Å; N188-L322 CarbonylContact C-O 3.56Å; N188-L322 WeakPolarHBondContact CA-O 3.32Å; N188-L322 VanDerWaalsContact CB-O 3.3Å; N188-L322 WeakPolarHBondContact CB-O 3.45Å
189A98.6Very high97.1Very high2 Ų229.9 Ų29.92%0.01716%0.156CC..EExtended strand (participates in β ladder)trans-128.5142170.600000108.2D179 I299 V302 L322D179-A189 CarbonylContact O-C 3.55Å; D179-A189 WeakPolarHBondContact O-CA 3.4Å; A189-I299 HydrophobicContact CB-CG2 4.4Å; A189-V302 HydrophobicContact CB-CB 4.02Å; A189-V302 HydrophobicContact CB-CG1 3.58Å; A189-L322 PolarHBondContact N-O 3.14Å; A189-L322 PolarHBondContact O-N 3.34Å
190R97.6Very high97Very high4 Ų429.9 Ų29.92%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-143.1149.1177.357.9-178.3166.1-174-3.1112.9I178 D179 I192 T203 Y207 N320 Y321I178-R190 WeakPolarHBondContact CA-O 3.12Å; D179-R190 HydrophobicContact CB-CG 3.84Å; D179-R190 PolarHBondContact N-O 2.93Å; D179-R190 WeakPolarHBondContact O-CG 3.21Å; D179-R190 PolarHBondContact O-N 2.69Å; D179-R190 IonicContact OD2-CZ 3.64Å; D179-R190 IonicContact OD2-NE 3.86Å; D179-R190 PolarHBondContact OD2-NE 3.39Å; D179-R190 IonicContact OD2-NH2 2.61Å; D179-R190 PolarHBondContact OD2-NH2 3.19Å; R190-I192 HydrophobicContact CG-CD1 4.44Å; R190-T203 PolarHBondContact NH1-OG1 2.7Å; R190-T203 VanDerWaalsContact NH1-OG1 3.16Å; R190-Y207 PolarHBondContact NH2-OH 3.05Å; R190-N320 CarbonylContact C-O 3.57Å; R190-N320 WeakPolarHBondContact CA-O 3.41Å; R190-N320 WeakPolarHBondContact CB-O 3.4Å; R190-Y321 HydrophobicContact CB-CD2 4.06Å; R190-Y321 HydrophobicContact CB-CE2 4.4Å
191V98.7Very high96.8Very high5 Ų530 Ų303%0.0316%0.156CC..EExtended strand (participates in β ladder)trans-112.5123.1174.2177.80000107.8I178 I193 E306 I310 L318 N320I178-V191 HydrophobicContact CG1-CG2 4.36Å; V191-I193 HydrophobicContact CG1-CD1 4.13Å; V191-E306 HydrophobicContact CG2-CB 3.69Å; V191-E306 HydrophobicContact CG2-CG 3.73Å; V191-I310 HydrophobicContact CG1-CD1 3.8Å; V191-L318 HydrophobicContact CG2-CB 3.94Å; V191-L318 HydrophobicContact CG2-CD2 4.46Å; V191-N320 PolarHBondContact N-O 3.01Å; V191-N320 WeakPolarHBondContact O-CA 3.43Å
192I98.7Very high96.8Very high2 Ų230 Ų301%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-118.8122.4-179.3-59.7170.8000107.2L177 R190 P194 C199 V200L177-I192 HydrophobicContact CB-CB 4.14Å; L177-I192 HydrophobicContact CD2-CD1 4Å; L177-I192 HydrophobicContact CG-CD1 4.48Å; L177-I192 PolarHBondContact N-O 3.4Å; L177-I192 PolarHBondContact O-N 3.07Å; R190-I192 HydrophobicContact CG-CD1 4.44Å; I192-P194 WeakPolarHBondContact O-CD 3.48Å; I192-C199 HydrophobicContact CG2-CB 4.35Å; I192-V200 HydrophobicContact CD1-CG2 3.62Å
193I98.2Very high96.7Very high37 Ų3729 Ų2919%0.1915%0.148CC..  trans-106.698.9169.9-51.5-57.4000106.5I174 P176 V191 G195 M196 T197I174-I193 HydrophobicContact CD1-CG2 4.33Å; I174-I193 HydrophobicContact CG2-CG2 3.75Å; P176-I193 HydrophobicContact CB-CD1 3.9Å; P176-I193 HydrophobicContact CG-CD1 4.1Å; V191-I193 HydrophobicContact CG1-CD1 4.13Å; I193-G195 PolarHBondContact O-N 2.8Å; I193-M196 HydrophobicContact CB-CB 4.2Å; I193-M196 HydrophobicContact CG2-CB 3.93Å; I193-M196 HydrophobicContact CG2-CG 4.06Å; I193-M196 HydrophobicContact CG2-SD 3.68Å; I193-M196 PolarHBondContact O-N 3.27Å; I193-T197 HydrophobicContact CB-CG2 4.01Å; I193-T197 HydrophobicContact CG1-CG2 4.09Å; I193-T197 PolarHBondContact N-OG1 3.33Å; I193-T197 PolarHBondContact O-N 3.11Å; I193-T197 PolarHBondContact O-OG1 3.13Å
194P96.9Very high96.6Very high0 Ų024.2 Ų24.20%013%0.126CC..THydrogen-bonded Turntrans-49.2132.9-176.7-32.438.1000113.2L158 M159 L162 I175 I192 M196L158-P194 HydrophobicContact CB-CG 4.01Å; M159-P194 HydrophobicContact CE-CB 3.61Å; M159-P194 HydrophobicContact CE-CG 4.03Å; M159-P194 HydrophobicContact SD-CB 3.86Å; L162-P194 HydrophobicContact CD1-CB 4.07Å; L162-P194 HydrophobicContact CD2-CB 3.82Å; L162-P194 HydrophobicContact CG-CB 4.25Å; I175-P194 WeakPolarHBondContact O-CD 3.37Å; I175-P194 WeakPolarHBondContact O-CG 3.14Å; I192-P194 WeakPolarHBondContact O-CD 3.48Å; P194-M196 PolarHBondContact O-N 2.97Å
195G93.4Very high96.3Very high6 Ų628.3 Ų28.36%0.06214%0.141CC..THydrogen-bonded Turntrans78.6-9-178.600000115.7I193 R339I193-G195 PolarHBondContact O-N 2.8Å; G195-R339 VanDerWaalsContact O-CZ 3.28Å; G195-R339 PolarHBondContact O-NH1 2.99Å; G195-R339 PolarHBondContact O-NH2 3.48Å
196M95.1Very high96Very high116 Ų11628.2 Ų28.257%0.57114%0.144SC*.THydrogen-bonded Turntrans-116.9-56-178.8-60.4-176.870.900112.7L169 I174 I193 P194L169-M196 HydrophobicContact CD2-CG 3.85Å; I174-M196 HydrophobicContact CD1-CG 4.13Å; I174-M196 HydrophobicContact CD1-SD 3.68Å; I193-M196 HydrophobicContact CB-CB 4.2Å; I193-M196 HydrophobicContact CG2-CB 3.93Å; I193-M196 HydrophobicContact CG2-CG 4.06Å; I193-M196 HydrophobicContact CG2-SD 3.68Å; I193-M196 PolarHBondContact O-N 3.27Å; P194-M196 PolarHBondContact O-N 2.97Å
197T97.1Very high95.6Very high33 Ų3324.3 Ų24.320%0.20213%0.127CC..SBendtrans-97.4175.7-177.966.70000112.1I193 C199I193-T197 HydrophobicContact CB-CG2 4.01Å; I193-T197 HydrophobicContact CG1-CG2 4.09Å; I193-T197 PolarHBondContact N-OG1 3.33Å; I193-T197 PolarHBondContact O-N 3.11Å; I193-T197 PolarHBondContact O-OG1 3.13Å; T197-C199 PolarHBondContact O-N 3.09Å
198A97.8Very high95Very high7 Ų727.6 Ų27.66%0.05815%0.147CC..  trans-57.9130.3169.900000111C202 A337A198-C202 HydrophobicContact CB-CB 3.89Å; A198-A337 HydrophobicContact CB-CB 4.09Å; A198-A337 WeakPolarHBondContact CB-O 3.18Å
199C97.2Very high94Very high0 Ų032 Ų320%018%0.177CC..  trans-93.5-176.9177.578.60000112N155 M159 I192 T197 E201 C202 T203 C343 C346N155-C199 WeakPolarHBondContact OD1-CB 3.21Å; M159-C199 HydrophobicContact CE-CB 3.51Å; I192-C199 HydrophobicContact CG2-CB 4.35Å; T197-C199 PolarHBondContact O-N 3.09Å; C199-E201 PolarHBondContact O-N 3.14Å; C199-C202 WeakPolarHBondContact O-CB 3.46Å; C199-C202 PolarHBondContact O-N 2.87Å; C199-T203 PolarHBondContact O-OG1 3.19Å; C199-C343 PolarHBondContact SG-SG 2.88Å; C199-C346 HydrophobicContact CB-CB 4.23Å; C199-C346 VanDerWaalsContact SG-SG 3.68Å
200V96.6Very high92.9Very high1 Ų137.8 Ų37.81%0.00620%0.204CC..THydrogen-bonded Turntrans-59.1-46.4177.5178.10000111.1R151 R152 N155 I192 C202 T203 L204R151-V200 HydrophobicContact CB-CG1 4.22Å; R152-V200 HydrophobicContact CG-CG1 4.17Å; N155-V200 HydrophobicContact CB-CB 3.81Å; N155-V200 HydrophobicContact CB-CG2 3.74Å; N155-V200 PolarHBondContact OD1-N 3.29Å; I192-V200 HydrophobicContact CD1-CG2 3.62Å; V200-C202 VanDerWaalsContact C-N 3.32Å; V200-C202 PolarHBondContact O-N 3.49Å; V200-T203 CarbonylContact O-C 3.49Å; V200-T203 PolarHBondContact O-N 3.26Å; V200-T203 VanDerWaalsContact O-N 3.12Å; V200-T203 PolarHBondContact O-OG1 2.95Å; V200-L204 PolarHBondContact O-N 3.49Å
201E94.8Very high92Very high5 Ų542.3 Ų42.32%0.02323%0.231CC..G310 helixtrans-63.3-32.9177.9-85.563.7-150.300113.4R152 N155 C199 T203 L204 A345R152-E201 WeakPolarHBondContact CB-OE1 3.25Å; R152-E201 WeakPolarHBondContact CG-OE1 3.11Å; R152-E201 IonicContact CZ-OE1 3.05Å; R152-E201 IonicContact NE-OE1 3.67Å; R152-E201 PolarHBondContact NE-OE1 3.34Å; R152-E201 IonicContact NH2-OE1 3.62Å; N155-E201 PolarHBondContact ND2-OE2 3.34Å; C199-E201 PolarHBondContact O-N 3.14Å; E201-T203 PolarHBondContact O-N 3.32Å; E201-L204 PolarHBondContact O-N 2.77Å; E201-A345 HydrophobicContact CB-CB 3.92Å; E201-A345 HydrophobicContact CG-CB 3.74Å
202C96Very high91.2Very high6 Ų647.2 Ų47.24%0.04126%0.258CS..G310 helixtrans-58.3-31.7175.2-69.90000112A198 C199 V200 K340A198-C202 HydrophobicContact CB-CB 3.89Å; C199-C202 WeakPolarHBondContact O-CB 3.46Å; C199-C202 PolarHBondContact O-N 2.87Å; V200-C202 VanDerWaalsContact C-N 3.32Å; V200-C202 PolarHBondContact O-N 3.49Å; C202-K340 HydrophobicContact CB-CG 4.42Å; C202-K340 WeakPolarHBondContact O-CE 3.17Å; C202-K340 PolarHBondContact SG-N 3.42Å
203T95Very high90.6Very high10 Ų1049.9 Ų49.96%0.06127%0.269CS..G310 helixtrans-113.617.4-173.353.10000113.1R190 C199 V200 E201 E205 L206 A337R190-T203 PolarHBondContact NH1-OG1 2.7Å; R190-T203 VanDerWaalsContact NH1-OG1 3.16Å; C199-T203 PolarHBondContact O-OG1 3.19Å; V200-T203 CarbonylContact O-C 3.49Å; V200-T203 PolarHBondContact O-N 3.26Å; V200-T203 VanDerWaalsContact O-N 3.12Å; V200-T203 PolarHBondContact O-OG1 2.95Å; E201-T203 PolarHBondContact O-N 3.32Å; T203-E205 PolarHBondContact O-N 2.76Å; T203-E205 VanDerWaalsContact O-N 3.15Å; T203-L206 HydrophobicContact CG2-CD1 3.92Å; T203-L206 WeakPolarHBondContact O-CB 3.34Å; T203-L206 PolarHBondContact O-N 3Å; T203-A337 HydrophobicContact CG2-CB 3.84Å
204L92.1Very high90.1Very high4 Ų451.6 Ų51.62%0.02128%0.283CS..G310 helixtrans-58.4-31.2-177.3-172.662.9000113.1I148 R152 V200 E201 L206 Y207 Q375I148-L204 HydrophobicContact CG2-CD1 3.78Å; R152-L204 HydrophobicContact CG-CD1 4.4Å; V200-L204 PolarHBondContact O-N 3.49Å; E201-L204 PolarHBondContact O-N 2.77Å; L204-L206 PolarHBondContact O-N 3.1Å; L204-Y207 HydrophobicContact CD1-CD2 4.03Å; L204-Y207 HydrophobicContact CD1-CE2 4.29Å; L204-Y207 WeakPolarHBondContact O-CD2 3.47Å; L204-Y207 PolarHBondContact O-N 2.81Å; L204-Q375 HydrophobicContact CD2-CB 4.24Å; L204-Q375 HydrophobicContact CD2-CG 4.34Å
205E88.8Confident89.7Confident101 Ų10156.2 Ų56.247%0.47231%0.306SS..G310 helixtrans-72.4-13.5178.4-68.3154-161.700113.6T203 Y207 K340T203-E205 PolarHBondContact O-N 2.76Å; T203-E205 VanDerWaalsContact O-N 3.15Å; E205-Y207 VanDerWaalsContact C-N 3.26Å; E205-K340 IonicContact OE1-NZ 3.12Å; E205-K340 PolarHBondContact OE1-NZ 2.93Å; E205-K340 IonicContact OE2-NZ 3.21Å; E205-K340 PolarHBondContact OE2-NZ 3.17Å
206L90.7Very high89.5Confident95 Ų9560.1 Ų60.150%0.49733%0.331SS..G310 helixtrans-76.1-16.4175.6-59.8-174.6000112.6T203 L204 Y321 F335T203-L206 HydrophobicContact CG2-CD1 3.92Å; T203-L206 WeakPolarHBondContact O-CB 3.34Å; T203-L206 PolarHBondContact O-N 3Å; L204-L206 PolarHBondContact O-N 3.1Å; L206-Y321 HydrophobicContact CD1-CE2 4.07Å; L206-F335 HydrophobicContact CD1-CZ 4.37Å
207Y88.8Confident89.3Confident42 Ų4255.7 Ų55.717%0.16531%0.31CS..SBendtrans-68.6139.4173.8-73.4-75000110.6I148 R151 R190 L204 E205I148-Y207 HydrophobicContact CD1-CD1 3.64Å; I148-Y207 HydrophobicContact CD1-CD2 4.12Å; I148-Y207 HydrophobicContact CD1-CE1 4.23Å; I148-Y207 HydrophobicContact CD1-CG 3.57Å; I148-Y207 HydrophobicContact CG1-CD1 3.73Å; I148-Y207 HydrophobicContact CG1-CD2 4.3Å; I148-Y207 HydrophobicContact CG1-CE1 3.78Å; I148-Y207 HydrophobicContact CG1-CE2 4.34Å; I148-Y207 HydrophobicContact CG1-CG 4Å; I148-Y207 HydrophobicContact CG2-CD2 4.25Å; I148-Y207 HydrophobicContact CG2-CE2 4.1Å; R151-Y207 WeakPolarHBondContact CD-OH 3.3Å; R190-Y207 PolarHBondContact NH2-OH 3.05Å; L204-Y207 HydrophobicContact CD1-CD2 4.03Å; L204-Y207 HydrophobicContact CD1-CE2 4.29Å; L204-Y207 WeakPolarHBondContact O-CD2 3.47Å; L204-Y207 PolarHBondContact O-N 2.81Å; E205-Y207 VanDerWaalsContact C-N 3.26Å
208P84.7Confident89.2Confident75 Ų7554.3 Ų54.349%0.48730%0.302SS..PPolyproline II helixtrans-62147.3176.327-33.8000110.4Q210P208-Q210 PolarHBondContact O-N 3.32Å
209P77.6Confident88.8Confident122 Ų12255.8 Ų55.879%0.79231%0.314SS*.PPolyproline II helixtrans-60.5132.4177.625.6-33.6000110V211P209-V211 PolarHBondContact O-N 3.3Å
210Q75.6Confident88.6Confident123 Ų12359.8 Ų59.858%0.57534%0.342SS*.PPolyproline II helixtrans-64.1128.5176-66.4-171.2-100109.8P208 N212P208-Q210 PolarHBondContact O-N 3.32Å; Q210-N212 PolarHBondContact O-N 3.22Å
211V78.3Confident88.5Confident98 Ų9865.1 Ų65.159%0.59437%0.368SS*.  trans-68.9107.6174.2-176.70000108.4P209 F213P209-V211 PolarHBondContact O-N 3.3Å; V211-F213 HydrophobicContact CG1-CD1 4.49Å; V211-F213 HydrophobicContact CG1-CE1 3.96Å; V211-F213 HydrophobicContact CG1-CE2 4.39Å; V211-F213 HydrophobicContact CG1-CZ 3.91Å
212N82.2Confident88.5Confident109 Ų10965.3 Ų65.358%0.58337%0.37SS*.  trans-119.1119.7170.3-78.2-34.6000108.6Q210Q210-N212 PolarHBondContact O-N 3.22Å
213F86.1Confident88.5Confident57 Ų5773.1 Ų73.125%0.2540%0.398CS..  trans-78.1133177-61-64.5000109.7V211 I218 E226 H227 E230V211-F213 HydrophobicContact CG1-CD1 4.49Å; V211-F213 HydrophobicContact CG1-CE1 3.96Å; V211-F213 HydrophobicContact CG1-CE2 4.39Å; V211-F213 HydrophobicContact CG1-CZ 3.91Å; F213-I218 HydrophobicContact CB-CD1 3.55Å; F213-I218 HydrophobicContact CB-CG1 3.65Å; F213-I218 WeakPolarHBondContact O-CD1 3.13Å; F213-E226 HydrophobicContact CE2-CB 4.14Å; F213-E226 HydrophobicContact CZ-CB 3.83Å; F213-H227 AromaticContact CD1-CD2 3.61Å; F213-H227 AromaticContact CD1-NE2 3.57Å; F213-H227 AromaticContact CE1-CD2 3.73Å; F213-H227 AromaticContact CE1-NE2 3.7Å; F213-E230 HydrophobicContact CD2-CB 4.23Å; F213-E230 HydrophobicContact CD2-CG 4.05Å
214P87.8Confident88.5Confident73 Ų7376.7 Ų76.747%0.47442%0.417SS..  trans-63.3138.6175.7-24.334.3000112.2C216 T217 I218P214-C216 VanDerWaalsContact C-N 3.29Å; P214-C216 PolarHBondContact O-N 3.18Å; P214-T217 WeakPolarHBondContact O-CB 3.28Å; P214-T217 PolarHBondContact O-N 2.86Å; P214-I218 PolarHBondContact O-N 3.15Å
215M87.4Confident88.8Confident98 Ų9877.5 Ų77.548%0.48342%0.422SS..Hα-helixtrans-58.1-37.6-178.6-76.2-58.4-61.900113.6T217 I218 A219 I234 L235M215-T217 VanDerWaalsContact C-N 3.32Å; M215-T217 PolarHBondContact O-N 2.82Å; M215-I218 PolarHBondContact O-N 3.27Å; M215-I218 HydrophobicContact SD-CD1 4.27Å; M215-A219 WeakPolarHBondContact O-CB 3.4Å; M215-A219 PolarHBondContact O-N 2.95Å; M215-I234 HydrophobicContact CE-CD1 4.23Å; M215-I234 HydrophobicContact SD-CD1 3.62Å; M215-L235 HydrophobicContact CE-CD1 3.98Å; M215-L235 HydrophobicContact CE-CD2 3.86Å; M215-L235 HydrophobicContact CE-CG 4.12Å
216C89.7Confident89.2Confident88 Ų8875.3 Ų75.360%0.59541%0.412SS*.Hα-helixtrans-62.7-38.6177.157.80000112.3P214 S220 M221P214-C216 VanDerWaalsContact C-N 3.29Å; P214-C216 PolarHBondContact O-N 3.18Å; C216-S220 WeakPolarHBondContact O-CB 3.12Å; C216-S220 PolarHBondContact O-N 2.86Å; C216-M221 PolarHBondContact O-N 3.45Å
217T92.1Very high89.5Confident23 Ų2371.5 Ų71.514%0.14139%0.392CS..Hα-helixtrans-67.9-47.6175.7-56.90000110.6P214 M215 M221 P222 H227P214-T217 WeakPolarHBondContact O-CB 3.28Å; P214-T217 PolarHBondContact O-N 2.86Å; M215-T217 VanDerWaalsContact C-N 3.32Å; M215-T217 PolarHBondContact O-N 2.82Å; T217-M221 WeakPolarHBondContact CG2-O 3.4Å; T217-M221 CarbonylContact O-C 3.02Å; T217-M221 PolarHBondContact O-N 2.85Å; T217-P222 VanDerWaalsContact O-N 3.11Å; T217-H227 VanDerWaalsContact CG2-CE1 3.47Å; T217-H227 WeakPolarHBondContact CG2-CE1 3.19Å; T217-H227 WeakPolarHBondContact CG2-ND1 3.25Å
218I93.3Very high89.9Confident3 Ų369.5 Ų69.52%0.01538%0.384CS..Hα-helixtrans-62.2-48.1-179.9-65.5160.7000110.6F213 P214 M215 E230 Y231 I234 R267F213-I218 HydrophobicContact CB-CD1 3.55Å; F213-I218 HydrophobicContact CB-CG1 3.65Å; F213-I218 WeakPolarHBondContact O-CD1 3.13Å; P214-I218 PolarHBondContact O-N 3.15Å; M215-I218 PolarHBondContact O-N 3.27Å; M215-I218 HydrophobicContact SD-CD1 4.27Å; I218-E230 HydrophobicContact CD1-CG 3.96Å; I218-E230 HydrophobicContact CG1-CG 4.44Å; I218-Y231 VanDerWaalsContact CG2-CA 3.42Å; I218-Y231 HydrophobicContact CG2-CD2 4.23Å; I218-Y231 HydrophobicContact CG2-CG 4.46Å; I218-I234 HydrophobicContact CD1-CD1 3.68Å; I218-I234 HydrophobicContact CG2-CD1 4.15Å; I218-R267 PolarHBondContact O-NH2 3.06Å
219A90.9Very high90.5Very high38 Ų3865.9 Ų65.931%0.31436%0.36SS..Hα-helixtrans-74.8-45.2-172.900000112.9M215 L235 R267M215-A219 WeakPolarHBondContact O-CB 3.4Å; M215-A219 PolarHBondContact O-N 2.95Å; A219-L235 HydrophobicContact CB-CD1 4.09Å; A219-R267 PolarHBondContact O-NH2 2.97Å
220S91.9Very high91.4Very high84 Ų8460.9 Ų60.959%0.58733%0.326SS*.Hα-helixtrans-118.7-28.5-163.7-53.50000114.7C216C216-S220 WeakPolarHBondContact O-CB 3.12Å; C216-S220 PolarHBondContact O-N 2.86Å
221M94.3Very high92.4Very high113 Ų11357.4 Ų57.456%0.55731%0.308SS*.  trans-13560.2-173-58.8-176.879.400112.3C216 T217C216-M221 PolarHBondContact O-N 3.45Å; T217-M221 WeakPolarHBondContact CG2-O 3.4Å; T217-M221 CarbonylContact O-C 3.02Å; T217-M221 PolarHBondContact O-N 2.85Å
222P95.8Very high93.3Very high10 Ų1052.7 Ų52.77%0.06528%0.28CS..  trans-65.1148.6176.831-36000110.1T217 H227 F271 I273T217-P222 VanDerWaalsContact O-N 3.11Å; P222-H227 HydrophobicContact CB-CB 3.82Å; P222-F271 HydrophobicContact CG-CB 4.09Å; P222-F271 HydrophobicContact CG-CD1 3.57Å; P222-F271 HydrophobicContact CG-CD2 3.57Å; P222-F271 HydrophobicContact CG-CE1 3.79Å; P222-F271 HydrophobicContact CG-CE2 3.79Å; P222-F271 HydrophobicContact CG-CG 3.46Å; P222-F271 VanDerWaalsContact CG-CG 3.46Å; P222-F271 HydrophobicContact CG-CZ 3.89Å; P222-I273 HydrophobicContact CB-CD1 3.78Å; P222-I273 HydrophobicContact CG-CD1 4.09Å
223R94.9Very high94Very high169 Ų16950.5 Ų50.564%0.63826%0.263SS*.  trans-139.9-31.6-174.6-59.4179.2-167.2170.41.7112.1H227R223-H227 PolarHBondContact N-ND1 3.28Å; R223-H227 VanDerWaalsContact N-ND1 3.11Å
224L96.8Very high94.3Very high85 Ų8550.2 Ų50.245%0.44526%0.264SS..SBendtrans-112.6152.5179.3-56.9178.8000109.9E226 H227L224-E226 VanDerWaalsContact CB-OE2 3.27Å; L224-E226 WeakPolarHBondContact CB-OE2 3.34Å; L224-E226 PolarHBondContact O-N 3.11Å; L224-H227 PolarHBondContact N-ND1 3.42Å; L224-H227 WeakPolarHBondContact O-CB 3.39Å; L224-H227 PolarHBondContact O-N 2.91Å
225P97.4Very high94.7Very high21 Ų2149.6 Ų49.614%0.13626%0.256CS..Hα-helixtrans-58.6-30.5176.323.2-32.6000112.6H227 C228 I229 I273 V276 L280P225-H227 VanDerWaalsContact C-N 3.28Å; P225-H227 PolarHBondContact O-N 3.46Å; P225-C228 WeakPolarHBondContact O-CB 3.3Å; P225-C228 PolarHBondContact O-N 3.47Å; P225-C228 VanDerWaalsContact O-N 3.16Å; P225-I229 PolarHBondContact O-N 3.32Å; P225-I229 VanDerWaalsContact O-N 3.17Å; P225-I273 HydrophobicContact CB-CG2 4.32Å; P225-V276 HydrophobicContact CB-CB 4.46Å; P225-V276 HydrophobicContact CB-CG2 3.6Å; P225-L280 HydrophobicContact CB-CD2 3.72Å; P225-L280 HydrophobicContact CG-CD2 3.66Å
226E96.8Very high95.1Very high56 Ų5646 Ų4626%0.26224%0.239SC..Hα-helixtrans-60.3-36.2173.4-62.684.2170.100112F213 L224 C228 I229 E230 L280 V284F213-E226 HydrophobicContact CE2-CB 4.14Å; F213-E226 HydrophobicContact CZ-CB 3.83Å; L224-E226 VanDerWaalsContact CB-OE2 3.27Å; L224-E226 WeakPolarHBondContact CB-OE2 3.34Å; L224-E226 PolarHBondContact O-N 3.11Å; E226-C228 VanDerWaalsContact C-N 3.28Å; E226-C228 PolarHBondContact O-N 3.48Å; E226-I229 PolarHBondContact O-N 3.04Å; E226-E230 WeakPolarHBondContact O-CB 3.33Å; E226-E230 PolarHBondContact O-N 3.26Å; E226-L280 HydrophobicContact CG-CD1 4.18Å; E226-V284 HydrophobicContact CB-CG2 4.06Å; E226-V284 HydrophobicContact CG-CG2 3.75Å
227H97.3Very high95.4Very high14 Ų1442.4 Ų42.47%0.06521%0.213CC..Hα-helixtrans-66.1-34.4177.7-57.9174.9000111.5F213 T217 P222 R223 L224 P225 Y231F213-H227 AromaticContact CD1-CD2 3.61Å; F213-H227 AromaticContact CD1-NE2 3.57Å; F213-H227 AromaticContact CE1-CD2 3.73Å; F213-H227 AromaticContact CE1-NE2 3.7Å; T217-H227 VanDerWaalsContact CG2-CE1 3.47Å; T217-H227 WeakPolarHBondContact CG2-CE1 3.19Å; T217-H227 WeakPolarHBondContact CG2-ND1 3.25Å; P222-H227 HydrophobicContact CB-CB 3.82Å; R223-H227 PolarHBondContact N-ND1 3.28Å; R223-H227 VanDerWaalsContact N-ND1 3.11Å; L224-H227 PolarHBondContact N-ND1 3.42Å; L224-H227 WeakPolarHBondContact O-CB 3.39Å; L224-H227 PolarHBondContact O-N 2.91Å; P225-H227 VanDerWaalsContact C-N 3.28Å; P225-H227 PolarHBondContact O-N 3.46Å; H227-Y231 WeakPolarHBondContact O-CB 3.48Å; H227-Y231 PolarHBondContact O-N 3.4Å; H227-Y231 VanDerWaalsContact O-N 3.09Å
228C97.7Very high95.5Very high0 Ų044.8 Ų44.80%023%0.228CC..Hα-helixtrans-68.3-45176.4-60.70000110.8P225 E226 Y231 V232 R267 A268P225-C228 WeakPolarHBondContact O-CB 3.3Å; P225-C228 PolarHBondContact O-N 3.47Å; P225-C228 VanDerWaalsContact O-N 3.16Å; E226-C228 VanDerWaalsContact C-N 3.28Å; E226-C228 PolarHBondContact O-N 3.48Å; C228-Y231 PolarHBondContact O-N 3.18Å; C228-V232 WeakPolarHBondContact O-CG2 3.25Å; C228-V232 PolarHBondContact O-N 2.86Å; C228-R267 HydrophobicContact CB-CB 4.43Å; C228-R267 HydrophobicContact CB-CG 4.33Å; C228-A268 HydrophobicContact CB-CB 4.26Å
229I97.8Very high95.5Very high0 Ų052.6 Ų52.60%026%0.262CS..Hα-helixtrans-64.4-46178.2-61.6156.8000110.9P225 E226 Y231 V232 R233 I260 S264 V276 L280 T281 V284 V285P225-I229 PolarHBondContact O-N 3.32Å; P225-I229 VanDerWaalsContact O-N 3.17Å; E226-I229 PolarHBondContact O-N 3.04Å; I229-Y231 VanDerWaalsContact C-N 3.31Å; I229-Y231 PolarHBondContact O-N 2.95Å; I229-V232 PolarHBondContact O-N 2.83Å; I229-V232 VanDerWaalsContact O-N 3.14Å; I229-R233 WeakPolarHBondContact O-CB 3.36Å; I229-R233 PolarHBondContact O-N 2.73Å; I229-I260 HydrophobicContact CG2-CG2 4.04Å; I229-S264 WeakPolarHBondContact CA-OG 3.48Å; I229-V276 HydrophobicContact CG1-CG1 4.46Å; I229-L280 HydrophobicContact CD1-CB 4.34Å; I229-L280 HydrophobicContact CD1-CD2 4.01Å; I229-L280 HydrophobicContact CD1-CG 3.77Å; I229-T281 HydrophobicContact CG2-CG2 4.15Å; I229-V284 HydrophobicContact CB-CB 4.3Å; I229-V284 HydrophobicContact CB-CG1 4.12Å; I229-V284 HydrophobicContact CD1-CG2 4.12Å; I229-V284 HydrophobicContact CG2-CB 3.77Å; I229-V284 HydrophobicContact CG2-CG1 3.71Å; I229-V284 HydrophobicContact CG2-CG2 4.49Å; I229-V285 HydrophobicContact CG2-CG2 4.19Å
230E96.1Very high95.7Very high16 Ų1655.2 Ų55.28%0.07527%0.268CS..Hα-helixtrans-64.7-36.7-179-167.669.5176.300111.5F213 I218 E226 V232 R233 I234F213-E230 HydrophobicContact CD2-CB 4.23Å; F213-E230 HydrophobicContact CD2-CG 4.05Å; I218-E230 HydrophobicContact CD1-CG 3.96Å; I218-E230 HydrophobicContact CG1-CG 4.44Å; E226-E230 WeakPolarHBondContact O-CB 3.33Å; E226-E230 PolarHBondContact O-N 3.26Å; E230-V232 PolarHBondContact O-N 2.88Å; E230-R233 PolarHBondContact O-N 3.23Å; E230-R233 IonicContact OE1-CZ 3.02Å; E230-R233 IonicContact OE1-NH1 3.05Å; E230-R233 PolarHBondContact OE1-NH1 3.1Å; E230-R233 IonicContact OE2-CZ 3.23Å; E230-R233 IonicContact OE2-NH1 3.89Å; E230-R233 PolarHBondContact OE2-NH1 3.02Å; E230-I234 HydrophobicContact CG-CD1 4.22Å; E230-I234 HydrophobicContact CG-CG2 4.16Å; E230-I234 VanDerWaalsContact O-CG1 3.3Å; E230-I234 WeakPolarHBondContact O-CG1 3.43Å; E230-I234 WeakPolarHBondContact O-CG2 3.1Å; E230-I234 PolarHBondContact O-N 3.39Å
231Y97.3Very high95.8Very high50 Ų5054.4 Ų54.420%0.19626%0.255CS..Hα-helixtrans-57.7-48.8171.8173.7-89.9000112I218 H227 C228 I229 R233 L235 Q236 R267I218-Y231 VanDerWaalsContact CG2-CA 3.42Å; I218-Y231 HydrophobicContact CG2-CD2 4.23Å; I218-Y231 HydrophobicContact CG2-CG 4.46Å; H227-Y231 WeakPolarHBondContact O-CB 3.48Å; H227-Y231 PolarHBondContact O-N 3.4Å; H227-Y231 VanDerWaalsContact O-N 3.09Å; C228-Y231 PolarHBondContact O-N 3.18Å; I229-Y231 VanDerWaalsContact C-N 3.31Å; I229-Y231 PolarHBondContact O-N 2.95Å; Y231-R233 VanDerWaalsContact C-N 3.29Å; Y231-R233 PolarHBondContact O-N 3.39Å; Y231-L235 HydrophobicContact CD2-CB 4.03Å; Y231-L235 HydrophobicContact CD2-CD1 3.52Å; Y231-L235 HydrophobicContact CD2-CG 4.32Å; Y231-L235 HydrophobicContact CE2-CB 3.92Å; Y231-L235 HydrophobicContact CE2-CD1 3.54Å; Y231-L235 HydrophobicContact CE2-CG 4.37Å; Y231-L235 HydrophobicContact CG-CB 4.5Å; Y231-L235 WeakPolarHBondContact O-CA 3.44Å; Y231-L235 WeakPolarHBondContact O-CB 3.47Å; Y231-L235 PolarHBondContact O-N 3.46Å; Y231-Q236 HydrophobicContact CD1-CB 4.24Å; Y231-Q236 HydrophobicContact CE1-CB 3.9Å; Y231-Q236 HydrophobicContact CE1-CG 4.42Å; Y231-Q236 PolarHBondContact O-N 2.84Å; Y231-Q236 VanDerWaalsContact O-N 3.1Å; Y231-R267 VanDerWaalsContact CB-NE 3.27Å; Y231-R267 VanDerWaalsContact CD1-CZ 3.42Å; Y231-R267 VanDerWaalsContact CE2-CZ 3.47Å
232V97.2Very high95.8Very high0 Ų051 Ų510%024%0.241CC..Iπ-helixtrans-62.4-45-177.5174.90000109.6C228 I229 E230 Q236 W237 W259 I260 K263C228-V232 WeakPolarHBondContact O-CG2 3.25Å; C228-V232 PolarHBondContact O-N 2.86Å; I229-V232 PolarHBondContact O-N 2.83Å; I229-V232 VanDerWaalsContact O-N 3.14Å; E230-V232 PolarHBondContact O-N 2.88Å; V232-Q236 HydrophobicContact CB-CB 4.5Å; V232-Q236 HydrophobicContact CG1-CB 4.42Å; V232-Q236 PolarHBondContact O-N 2.9Å; V232-W237 WeakPolarHBondContact O-CB 3.32Å; V232-W237 PolarHBondContact O-N 2.82Å; V232-W259 HydrophobicContact CG1-CE3 4.17Å; V232-W259 HydrophobicContact CG1-CH2 4.26Å; V232-W259 HydrophobicContact CG1-CZ3 3.53Å; V232-I260 HydrophobicContact CB-CG2 4.26Å; V232-I260 HydrophobicContact CG1-CB 4.2Å; V232-I260 HydrophobicContact CG1-CG1 4.14Å; V232-I260 HydrophobicContact CG1-CG2 3.93Å; V232-K263 HydrophobicContact CB-CB 4.4Å; V232-K263 HydrophobicContact CG1-CB 3.64Å; V232-K263 HydrophobicContact CG1-CG 4.43Å; V232-K263 HydrophobicContact CG2-CB 3.77Å
233R95.3Very high95.7Very high62 Ų6253.9 Ų53.923%0.23425%0.253CS..Iπ-helixtrans-61.4-49.1179.1170.8171169.5-97.1-15113.4I229 E230 Y231 L249I229-R233 WeakPolarHBondContact O-CB 3.36Å; I229-R233 PolarHBondContact O-N 2.73Å; E230-R233 PolarHBondContact O-N 3.23Å; E230-R233 IonicContact OE1-CZ 3.02Å; E230-R233 IonicContact OE1-NH1 3.05Å; E230-R233 PolarHBondContact OE1-NH1 3.1Å; E230-R233 IonicContact OE2-CZ 3.23Å; E230-R233 IonicContact OE2-NH1 3.89Å; E230-R233 PolarHBondContact OE2-NH1 3.02Å; Y231-R233 VanDerWaalsContact C-N 3.29Å; Y231-R233 PolarHBondContact O-N 3.39Å; R233-L249 HydrophobicContact CB-CD2 4.37Å; R233-L249 HydrophobicContact CG-CD2 3.72Å
234I93.9Very high95.6Very high52 Ų5247.4 Ų47.427%0.26724%0.239SC..Iπ-helixtrans-97.9-22.7-16981.1-176.4000114M215 I218 E230M215-I234 HydrophobicContact CE-CD1 4.23Å; M215-I234 HydrophobicContact SD-CD1 3.62Å; I218-I234 HydrophobicContact CD1-CD1 3.68Å; I218-I234 HydrophobicContact CG2-CD1 4.15Å; E230-I234 HydrophobicContact CG-CD1 4.22Å; E230-I234 HydrophobicContact CG-CG2 4.16Å; E230-I234 VanDerWaalsContact O-CG1 3.3Å; E230-I234 WeakPolarHBondContact O-CG1 3.43Å; E230-I234 WeakPolarHBondContact O-CG2 3.1Å; E230-I234 PolarHBondContact O-N 3.39Å
235L94.4Very high95.2Very high59 Ų5950 Ų5031%0.30925%0.253SS..Iπ-helixtrans-115.2-47.8-177.2-72.1177.5000112.6M215 A219 Y231 K239M215-L235 HydrophobicContact CE-CD1 3.98Å; M215-L235 HydrophobicContact CE-CD2 3.86Å; M215-L235 HydrophobicContact CE-CG 4.12Å; A219-L235 HydrophobicContact CB-CD1 4.09Å; Y231-L235 HydrophobicContact CD2-CB 4.03Å; Y231-L235 HydrophobicContact CD2-CD1 3.52Å; Y231-L235 HydrophobicContact CD2-CG 4.32Å; Y231-L235 HydrophobicContact CE2-CB 3.92Å; Y231-L235 HydrophobicContact CE2-CD1 3.54Å; Y231-L235 HydrophobicContact CE2-CG 4.37Å; Y231-L235 HydrophobicContact CG-CB 4.5Å; Y231-L235 WeakPolarHBondContact O-CA 3.44Å; Y231-L235 WeakPolarHBondContact O-CB 3.47Å; Y231-L235 PolarHBondContact O-N 3.46Å; L235-K239 VanDerWaalsContact O-CB 3.32Å; L235-K239 WeakPolarHBondContact O-CB 3.1Å
236Q96Very high94.6Very high24 Ų2456 Ų5611%0.11228%0.284CS..Iπ-helixtrans-77.3-42.6-173.1-160.9171-10.700112.4Y231 V232 K239 E240 W259Y231-Q236 HydrophobicContact CD1-CB 4.24Å; Y231-Q236 HydrophobicContact CE1-CB 3.9Å; Y231-Q236 HydrophobicContact CE1-CG 4.42Å; Y231-Q236 PolarHBondContact O-N 2.84Å; Y231-Q236 VanDerWaalsContact O-N 3.1Å; V232-Q236 HydrophobicContact CB-CB 4.5Å; V232-Q236 HydrophobicContact CG1-CB 4.42Å; V232-Q236 PolarHBondContact O-N 2.9Å; Q236-K239 PolarHBondContact O-N 3.01Å; Q236-E240 HydrophobicContact CG-CG 4.28Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.45Å; Q236-E240 PolarHBondContact NE2-OE1 3.44Å; Q236-E240 PolarHBondContact O-N 3.15Å; Q236-W259 HydrophobicContact CG-CH2 4.19Å
237W96.3Very high94.4Very high12 Ų1256 Ų565%0.04529%0.288CS..Hα-helixtrans-57.8-53.4178.3179.6-72.3000112.4V232 K239 E240 Q241 P242 F243 V247 L249 H256 W259 I260V232-W237 WeakPolarHBondContact O-CB 3.32Å; V232-W237 PolarHBondContact O-N 2.82Å; W237-K239 PolarHBondContact O-N 3.05Å; W237-K239 VanDerWaalsContact O-N 3.16Å; W237-E240 PolarHBondContact O-N 2.92Å; W237-Q241 PolarHBondContact O-N 3.37Å; W237-P242 HydrophobicContact CD2-CG 3.96Å; W237-P242 HydrophobicContact CE3-CG 3.68Å; W237-P242 HydrophobicContact CH2-CG 4.11Å; W237-P242 HydrophobicContact CZ2-CG 4.36Å; W237-P242 HydrophobicContact CZ3-CG 3.77Å; W237-F243 AromaticContact CH2-CD2 3.3Å; W237-F243 HydrophobicContact CH2-CD2 3.3Å; W237-F243 AromaticContact CH2-CE2 3.59Å; W237-F243 HydrophobicContact CH2-CE2 3.59Å; W237-F243 HydrophobicContact CH2-CG 4.33Å; W237-F243 HydrophobicContact CZ2-CD2 4.01Å; W237-F243 AromaticContact CZ3-CD2 3.86Å; W237-F243 HydrophobicContact CZ3-CD2 3.86Å; W237-F243 AromaticContact CZ3-CE2 3.74Å; W237-F243 HydrophobicContact CZ3-CE2 3.74Å; W237-V247 PolarHBondContact NE1-O 2.8Å; W237-L249 HydrophobicContact CD2-CB 3.96Å; W237-L249 HydrophobicContact CD2-CD1 4.18Å; W237-L249 HydrophobicContact CE3-CD1 3.88Å; W237-L249 HydrophobicContact CG-CB 4.27Å; W237-L249 HydrophobicContact CH2-CD1 3.85Å; W237-L249 HydrophobicContact CZ2-CB 4.06Å; W237-L249 HydrophobicContact CZ2-CD1 4.16Å; W237-L249 HydrophobicContact CZ3-CD1 3.71Å; W237-H256 HydrophobicContact CH2-CB 3.84Å; W237-H256 AromaticContact CH2-CD2 3.6Å; W237-H256 AromaticContact CH2-CE1 3.92Å; W237-H256 AromaticContact CH2-CG 3.45Å; W237-H256 VanDerWaalsContact CH2-CG 3.45Å; W237-H256 AromaticContact CH2-ND1 3.69Å; W237-H256 AromaticContact CH2-NE2 3.84Å; W237-H256 HydrophobicContact CZ3-CB 4.1Å; W237-W259 HydrophobicContact CB-CZ3 4.26Å; W237-W259 HydrophobicContact CE3-CD2 4.47Å; W237-W259 AromaticContact CE3-CE3 3.59Å; W237-W259 HydrophobicContact CE3-CE3 3.59Å; W237-W259 AromaticContact CE3-CZ3 3.66Å; W237-W259 HydrophobicContact CE3-CZ3 3.66Å; W237-W259 HydrophobicContact CZ3-CD2 4.44Å; W237-W259 AromaticContact CZ3-CE3 3.87Å; W237-W259 HydrophobicContact CZ3-CE3 3.87Å; W237-W259 HydrophobicContact CZ3-CZ3 4.39Å; W237-I260 HydrophobicContact CE3-CD1 4.32Å; W237-I260 HydrophobicContact CE3-CG1 4.11Å; W237-I260 HydrophobicContact CZ3-CG1 4.35Å
238P94.1Very high94.2Very high72 Ų7260.2 Ų60.247%0.46832%0.316SS..Hα-helixtrans-63.6-24.6179.6-22.335.6000113.5Q241P238-Q241 WeakPolarHBondContact O-CG 3.39Å
239K93.9Very high94Very high167 Ų16762.4 Ų62.473%0.72633%0.328SS*.Hα-helixtrans-80.3-41.8-179.7-177.2-176.9176.8-172.90112.8L235 Q236 W237L235-K239 VanDerWaalsContact O-CB 3.32Å; L235-K239 WeakPolarHBondContact O-CB 3.1Å; Q236-K239 PolarHBondContact O-N 3.01Å; W237-K239 PolarHBondContact O-N 3.05Å; W237-K239 VanDerWaalsContact O-N 3.16Å
240E94.9Very high93.8Very high93 Ų9366 Ų6644%0.43535%0.347SS..Hα-helixtrans-94.2-21-174.2-70-177.2-153.100113.3Q236 W237 W259Q236-E240 HydrophobicContact CG-CG 4.28Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.45Å; Q236-E240 PolarHBondContact NE2-OE1 3.44Å; Q236-E240 PolarHBondContact O-N 3.15Å; W237-E240 PolarHBondContact O-N 2.92Å; E240-W259 HydrophobicContact CB-CZ2 4.42Å
241Q93.3Very high93.6Very high67 Ų6766 Ų6631%0.31335%0.352SS..  trans44.158.6-178.6-55.4-166.215.400112.3W237 P238 F243 G244 D245 D246W237-Q241 PolarHBondContact O-N 3.37Å; P238-Q241 WeakPolarHBondContact O-CG 3.39Å; Q241-F243 PolarHBondContact O-N 3.1Å; Q241-G244 PolarHBondContact O-N 2.94Å; Q241-G244 VanDerWaalsContact O-N 3.1Å; Q241-D245 PolarHBondContact OE1-OD1 2.86Å; Q241-D246 VanDerWaalsContact OE1-N 3.08Å
242P93.9Very high93.2Very high42 Ų4268.3 Ų68.327%0.27337%0.367SS..THydrogen-bonded Turntrans-65.3-18.2-161.321.5-31000115.6W237 W259W237-P242 HydrophobicContact CD2-CG 3.96Å; W237-P242 HydrophobicContact CE3-CG 3.68Å; W237-P242 HydrophobicContact CH2-CG 4.11Å; W237-P242 HydrophobicContact CZ2-CG 4.36Å; W237-P242 HydrophobicContact CZ3-CG 3.77Å; P242-W259 HydrophobicContact CB-CD2 3.95Å; P242-W259 HydrophobicContact CB-CG 4.28Å; P242-W259 HydrophobicContact CB-CH2 4.39Å; P242-W259 HydrophobicContact CB-CZ2 3.65Å; P242-W259 HydrophobicContact CG-CD2 3.79Å; P242-W259 HydrophobicContact CG-CE3 4Å; P242-W259 HydrophobicContact CG-CG 4.44Å; P242-W259 HydrophobicContact CG-CH2 3.85Å; P242-W259 HydrophobicContact CG-CZ2 3.62Å; P242-W259 HydrophobicContact CG-CZ3 4.03Å
243F94.8Very high92.9Very high70 Ų7070.5 Ų70.531%0.30738%0.379SS..THydrogen-bonded Turntrans-113.716.8-178.8-66.3-95.9000112.8W237 Q241 V247 E255 H256 W259W237-F243 AromaticContact CH2-CD2 3.3Å; W237-F243 HydrophobicContact CH2-CD2 3.3Å; W237-F243 AromaticContact CH2-CE2 3.59Å; W237-F243 HydrophobicContact CH2-CE2 3.59Å; W237-F243 HydrophobicContact CH2-CG 4.33Å; W237-F243 HydrophobicContact CZ2-CD2 4.01Å; W237-F243 AromaticContact CZ3-CD2 3.86Å; W237-F243 HydrophobicContact CZ3-CD2 3.86Å; W237-F243 AromaticContact CZ3-CE2 3.74Å; W237-F243 HydrophobicContact CZ3-CE2 3.74Å; Q241-F243 PolarHBondContact O-N 3.1Å; F243-V247 HydrophobicContact CB-CB 4.44Å; F243-V247 HydrophobicContact CB-CG1 4.09Å; F243-V247 WeakPolarHBondContact O-CG2 3.09Å; F243-E255 HydrophobicContact CE1-CB 3.89Å; F243-E255 HydrophobicContact CZ-CB 4.15Å; F243-H256 AromaticContact CD1-CD2 3.78Å; F243-H256 AromaticContact CD1-NE2 3.91Å; F243-H256 AromaticContact CD2-CD2 3.57Å; F243-H256 AromaticContact CD2-NE2 3.82Å; F243-H256 AromaticContact CE1-CD2 3.8Å; F243-H256 AromaticContact CE2-CD2 3.62Å; F243-H256 AromaticContact CG-CD2 3.67Å; F243-H256 AromaticContact CG-NE2 3.61Å; F243-H256 AromaticContact CZ-CD2 3.73Å; F243-W259 HydrophobicContact CE2-CB 3.81Å; F243-W259 AromaticContact CE2-CG 3.99Å; F243-W259 HydrophobicContact CE2-CG 3.99Å; F243-W259 HydrophobicContact CZ-CB 3.95Å; F243-W259 HydrophobicContact CZ-CG 4.44Å
244G91.9Very high92.8Very high34 Ų3471.6 Ų71.635%0.35139%0.394SS..SBendtrans114.4162.9179.200000112.9Q241 D246 V247Q241-G244 PolarHBondContact O-N 2.94Å; Q241-G244 VanDerWaalsContact O-N 3.1Å; G244-D246 PolarHBondContact O-N 3.3Å; G244-V247 PolarHBondContact O-N 2.79Å
245D89.3Confident93Very high138 Ų13875.4 Ų75.474%0.73841%0.411SS*.THydrogen-bonded Turntrans-61.9133.7-177.5-65.8-27.9000110.6Q241 V247Q241-D245 PolarHBondContact OE1-OD1 2.86Å; D245-V247 PolarHBondContact O-N 2.8Å; D245-V247 VanDerWaalsContact O-N 3.13Å
246D85.4Confident93.1Very high148 Ų14873.1 Ų73.179%0.79140%0.399SS*.THydrogen-bonded Turntrans60.514.2179.9-60.7-45.4000116.4Q241 G244 P248Q241-D246 VanDerWaalsContact OE1-N 3.08Å; G244-D246 PolarHBondContact O-N 3.3Å; D246-P248 VanDerWaalsContact O-CD 3.27Å; D246-P248 WeakPolarHBondContact O-CD 3.39Å
247V91.8Very high93.1Very high56 Ų5672.1 Ų72.134%0.33939%0.394SS..  trans-76114.2172.8178.80000110.1W237 F243 G244 D245W237-V247 PolarHBondContact NE1-O 2.8Å; F243-V247 HydrophobicContact CB-CB 4.44Å; F243-V247 HydrophobicContact CB-CG1 4.09Å; F243-V247 WeakPolarHBondContact O-CG2 3.09Å; G244-V247 PolarHBondContact O-N 2.79Å; D245-V247 PolarHBondContact O-N 2.8Å; D245-V247 VanDerWaalsContact O-N 3.13Å
248P92.8Very high93.2Very high102 Ų10275.7 Ų75.766%0.66241%0.411SS*.  trans-71.7154.2-179.731.2-35000111D246 D250D246-P248 VanDerWaalsContact O-CD 3.27Å; D246-P248 WeakPolarHBondContact O-CD 3.39Å; P248-D250 PolarHBondContact O-N 3Å; P248-D250 VanDerWaalsContact O-N 3.1Å
249L94.1Very high93.4Very high46 Ų4674.4 Ų74.424%0.24140%0.397CS..  trans-66.1111.6171.3172.158.4000110.4R233 W237 H256 I260 V285R233-L249 HydrophobicContact CB-CD2 4.37Å; R233-L249 HydrophobicContact CG-CD2 3.72Å; W237-L249 HydrophobicContact CD2-CB 3.96Å; W237-L249 HydrophobicContact CD2-CD1 4.18Å; W237-L249 HydrophobicContact CE3-CD1 3.88Å; W237-L249 HydrophobicContact CG-CB 4.27Å; W237-L249 HydrophobicContact CH2-CD1 3.85Å; W237-L249 HydrophobicContact CZ2-CB 4.06Å; W237-L249 HydrophobicContact CZ2-CD1 4.16Å; W237-L249 HydrophobicContact CZ3-CD1 3.71Å; L249-H256 HydrophobicContact CD1-CB 3.94Å; L249-I260 HydrophobicContact CD1-CD1 3.42Å; L249-I260 VanDerWaalsContact CD1-CD1 3.42Å; L249-I260 HydrophobicContact CD1-CG1 4.41Å; L249-I260 HydrophobicContact CD2-CD1 3.5Å; L249-I260 VanDerWaalsContact CD2-CD1 3.5Å; L249-I260 HydrophobicContact CG-CD1 4.09Å; L249-V285 HydrophobicContact CD2-CG1 4.06Å; L249-V285 HydrophobicContact CG-CG1 4.49Å
250D92.6Very high93.6Very high76 Ų7666.5 Ų66.541%0.40636%0.362SS..  trans-89.1122.6164.9-168.7-11.9000110.8P248 D252 D253 H256P248-D250 PolarHBondContact O-N 3Å; P248-D250 VanDerWaalsContact O-N 3.1Å; D250-D252 VanDerWaalsContact C-N 3.33Å; D250-D252 WeakPolarHBondContact OD1-CB 3.49Å; D250-D252 PolarHBondContact OD1-N 3.18Å; D250-D253 HydrophobicContact CB-CB 3.89Å; D250-H256 WeakPolarHBondContact CB-ND1 3.41Å; D250-H256 PolarHBondContact N-ND1 2.65Å; D250-H256 VanDerWaalsContact O-CB 3.31Å; D250-H256 WeakPolarHBondContact O-CB 3.2Å; D250-H256 PolarHBondContact O-ND1 3.32Å
251G91.5Very high93.8Very high17 Ų1764.7 Ų64.718%0.17535%0.352CS..SBendtrans-80.5-13.4177.800000114I257 K286G251-I257 WeakPolarHBondContact O-CG1 3.49Å; G251-K286 WeakPolarHBondContact O-CD 3.37Å
252D88.8Confident94Very high97 Ų9765.8 Ų65.852%0.51936%0.357SS..SBendtrans-93.6-16.5177-67.6-50.5000112.6D250 P254 K286D250-D252 VanDerWaalsContact C-N 3.33Å; D250-D252 WeakPolarHBondContact OD1-CB 3.49Å; D250-D252 PolarHBondContact OD1-N 3.18Å; D252-P254 VanDerWaalsContact O-CD 3.29Å; D252-P254 WeakPolarHBondContact O-CD 2.99Å; D252-K286 VanDerWaalsContact OD1-CE 3.24Å; D252-K286 WeakPolarHBondContact OD1-CE 3.36Å; D252-K286 IonicContact OD1-NZ 2.85Å; D252-K286 PolarHBondContact OD1-NZ 3.21Å
253D92.6Very high94.2Very high47 Ų4765.8 Ų65.825%0.25135%0.353SS..  trans-74.1116.4174.4-171.8-46.4000111.1D250 E255 H256 I257D250-D253 HydrophobicContact CB-CB 3.89Å; D253-E255 VanDerWaalsContact C-N 3.29Å; D253-E255 PolarHBondContact O-N 3.28Å; D253-E255 WeakPolarHBondContact OD1-CA 3.35Å; D253-E255 VanDerWaalsContact OD1-CB 3.31Å; D253-E255 WeakPolarHBondContact OD1-CB 3.5Å; D253-E255 PolarHBondContact OD1-N 3.25Å; D253-H256 HydrophobicContact CB-CB 3.92Å; D253-H256 PolarHBondContact O-N 2.81Å; D253-H256 IonicContact OD1-CD2 3.95Å; D253-H256 PolarHBondContact OD1-N 3.42Å; D253-H256 IonicContact OD2-CD2 3.89Å; D253-H256 IonicContact OD2-NE2 3.94Å; D253-I257 WeakPolarHBondContact O-CG1 3.33Å; D253-I257 PolarHBondContact O-N 3.08Å; D253-I257 VanDerWaalsContact O-N 3.1Å
254P93.4Very high94.4Very high85 Ų8562.4 Ų62.455%0.55234%0.338SS*.Hα-helixtrans-62-32.6179.6-22.834.9000114D252 Q258D252-P254 VanDerWaalsContact O-CD 3.29Å; D252-P254 WeakPolarHBondContact O-CD 2.99Å; P254-Q258 WeakPolarHBondContact O-CB 3.45Å; P254-Q258 PolarHBondContact O-N 3.21Å
255E96.1Very high94.7Very high131 Ų13163.6 Ų63.661%0.61234%0.336SS*.Hα-helixtrans-70.4-41.9179.1-58.1-168.1169.700110.7F243 D253 Q258 W259F243-E255 HydrophobicContact CE1-CB 3.89Å; F243-E255 HydrophobicContact CZ-CB 4.15Å; D253-E255 VanDerWaalsContact C-N 3.29Å; D253-E255 PolarHBondContact O-N 3.28Å; D253-E255 WeakPolarHBondContact OD1-CA 3.35Å; D253-E255 VanDerWaalsContact OD1-CB 3.31Å; D253-E255 WeakPolarHBondContact OD1-CB 3.5Å; D253-E255 PolarHBondContact OD1-N 3.25Å; E255-Q258 PolarHBondContact O-N 3.35Å; E255-W259 PolarHBondContact O-N 2.63Å
256H97.2Very high95.1Very high12 Ų1260.6 Ų60.66%0.05632%0.318CS..Hα-helixtrans-60-48.6174.2-69.9-171.8000111.7W237 F243 L249 D250 D253 Q258 W259 I260W237-H256 HydrophobicContact CH2-CB 3.84Å; W237-H256 AromaticContact CH2-CD2 3.6Å; W237-H256 AromaticContact CH2-CE1 3.92Å; W237-H256 AromaticContact CH2-CG 3.45Å; W237-H256 VanDerWaalsContact CH2-CG 3.45Å; W237-H256 AromaticContact CH2-ND1 3.69Å; W237-H256 AromaticContact CH2-NE2 3.84Å; W237-H256 HydrophobicContact CZ3-CB 4.1Å; F243-H256 AromaticContact CD1-CD2 3.78Å; F243-H256 AromaticContact CD1-NE2 3.91Å; F243-H256 AromaticContact CD2-CD2 3.57Å; F243-H256 AromaticContact CD2-NE2 3.82Å; F243-H256 AromaticContact CE1-CD2 3.8Å; F243-H256 AromaticContact CE2-CD2 3.62Å; F243-H256 AromaticContact CG-CD2 3.67Å; F243-H256 AromaticContact CG-NE2 3.61Å; F243-H256 AromaticContact CZ-CD2 3.73Å; L249-H256 HydrophobicContact CD1-CB 3.94Å; D250-H256 WeakPolarHBondContact CB-ND1 3.41Å; D250-H256 PolarHBondContact N-ND1 2.65Å; D250-H256 VanDerWaalsContact O-CB 3.31Å; D250-H256 WeakPolarHBondContact O-CB 3.2Å; D250-H256 PolarHBondContact O-ND1 3.32Å; D253-H256 HydrophobicContact CB-CB 3.92Å; D253-H256 PolarHBondContact O-N 2.81Å; D253-H256 IonicContact OD1-CD2 3.95Å; D253-H256 PolarHBondContact OD1-N 3.42Å; D253-H256 IonicContact OD2-CD2 3.89Å; D253-H256 IonicContact OD2-NE2 3.94Å; H256-Q258 VanDerWaalsContact C-N 3.32Å; H256-Q258 PolarHBondContact O-N 3Å; H256-W259 PolarHBondContact O-N 3.48Å; H256-I260 WeakPolarHBondContact O-CG1 3.2Å; H256-I260 PolarHBondContact O-N 2.78Å
257I97.1Very high95.7Very high2 Ų254.2 Ų54.21%0.0128%0.283CS..Hα-helixtrans-63.1-40.5177.7-64.9-58.1000111.1G251 D253 W259 I260 Y261 Y278 T281 Q282 V285G251-I257 WeakPolarHBondContact O-CG1 3.49Å; D253-I257 WeakPolarHBondContact O-CG1 3.33Å; D253-I257 PolarHBondContact O-N 3.08Å; D253-I257 VanDerWaalsContact O-N 3.1Å; I257-W259 VanDerWaalsContact C-N 3.33Å; I257-W259 PolarHBondContact O-N 3.44Å; I257-I260 PolarHBondContact O-N 2.79Å; I257-Y261 VanDerWaalsContact O-CB 3.32Å; I257-Y261 WeakPolarHBondContact O-CB 3.45Å; I257-Y261 PolarHBondContact O-N 3.36Å; I257-Y278 HydrophobicContact CB-CE2 4.37Å; I257-Y278 HydrophobicContact CG2-CD2 4.22Å; I257-Y278 HydrophobicContact CG2-CE1 4.15Å; I257-Y278 HydrophobicContact CG2-CE2 3.57Å; I257-T281 HydrophobicContact CG2-CG2 4.19Å; I257-Q282 HydrophobicContact CG2-CG 3.62Å; I257-V285 HydrophobicContact CD1-CB 3.87Å; I257-V285 HydrophobicContact CD1-CG1 3.64Å; I257-V285 HydrophobicContact CD1-CG2 4.11Å
258Q97.8Very high96Very high87 Ų8751.7 Ų51.741%0.40727%0.268SS..Hα-helixtrans-62.5-41.2177.2-176.560.434.700111.6P254 E255 H256 Y261 Q262 Y278P254-Q258 WeakPolarHBondContact O-CB 3.45Å; P254-Q258 PolarHBondContact O-N 3.21Å; E255-Q258 PolarHBondContact O-N 3.35Å; H256-Q258 VanDerWaalsContact C-N 3.32Å; H256-Q258 PolarHBondContact O-N 3Å; Q258-Y261 PolarHBondContact O-N 2.88Å; Q258-Q262 PolarHBondContact O-N 3.03Å; Q258-Y278 HydrophobicContact CB-CE2 4.4Å
259W98.3Very high96.2Very high46 Ų4651 Ų5117%0.17427%0.265CS..Hα-helixtrans-62.3-47.6174.8-176.195.4000111.6V232 Q236 W237 E240 P242 F243 E255 H256 I257 Y261 Q262 K263V232-W259 HydrophobicContact CG1-CE3 4.17Å; V232-W259 HydrophobicContact CG1-CH2 4.26Å; V232-W259 HydrophobicContact CG1-CZ3 3.53Å; Q236-W259 HydrophobicContact CG-CH2 4.19Å; W237-W259 HydrophobicContact CB-CZ3 4.26Å; W237-W259 HydrophobicContact CE3-CD2 4.47Å; W237-W259 AromaticContact CE3-CE3 3.59Å; W237-W259 HydrophobicContact CE3-CE3 3.59Å; W237-W259 AromaticContact CE3-CZ3 3.66Å; W237-W259 HydrophobicContact CE3-CZ3 3.66Å; W237-W259 HydrophobicContact CZ3-CD2 4.44Å; W237-W259 AromaticContact CZ3-CE3 3.87Å; W237-W259 HydrophobicContact CZ3-CE3 3.87Å; W237-W259 HydrophobicContact CZ3-CZ3 4.39Å; E240-W259 HydrophobicContact CB-CZ2 4.42Å; P242-W259 HydrophobicContact CB-CD2 3.95Å; P242-W259 HydrophobicContact CB-CG 4.28Å; P242-W259 HydrophobicContact CB-CH2 4.39Å; P242-W259 HydrophobicContact CB-CZ2 3.65Å; P242-W259 HydrophobicContact CG-CD2 3.79Å; P242-W259 HydrophobicContact CG-CE3 4Å; P242-W259 HydrophobicContact CG-CG 4.44Å; P242-W259 HydrophobicContact CG-CH2 3.85Å; P242-W259 HydrophobicContact CG-CZ2 3.62Å; P242-W259 HydrophobicContact CG-CZ3 4.03Å; F243-W259 HydrophobicContact CE2-CB 3.81Å; F243-W259 AromaticContact CE2-CG 3.99Å; F243-W259 HydrophobicContact CE2-CG 3.99Å; F243-W259 HydrophobicContact CZ-CB 3.95Å; F243-W259 HydrophobicContact CZ-CG 4.44Å; E255-W259 PolarHBondContact O-N 2.63Å; H256-W259 PolarHBondContact O-N 3.48Å; I257-W259 VanDerWaalsContact C-N 3.33Å; I257-W259 PolarHBondContact O-N 3.44Å; W259-Y261 VanDerWaalsContact C-N 3.31Å; W259-Y261 PolarHBondContact O-N 2.84Å; W259-Q262 PolarHBondContact O-N 3.15Å; W259-K263 HydrophobicContact CD2-CG 4.05Å; W259-K263 HydrophobicContact CE3-CG 4.2Å; W259-K263 HydrophobicContact CH2-CG 3.86Å; W259-K263 HydrophobicContact CZ2-CD 4.42Å; W259-K263 HydrophobicContact CZ2-CG 3.68Å; W259-K263 HydrophobicContact CZ3-CG 4.11Å; W259-K263 PolarHBondContact O-N 3.44Å
260I98.1Very high96.3Very high0 Ų055.4 Ų55.40%029%0.285CS..Hα-helixtrans-60.2-44.9177.5-68.1-179.2000110.4I229 V232 W237 L249 H256 I257 Q262 K263 S264 T281 V285I229-I260 HydrophobicContact CG2-CG2 4.04Å; V232-I260 HydrophobicContact CB-CG2 4.26Å; V232-I260 HydrophobicContact CG1-CB 4.2Å; V232-I260 HydrophobicContact CG1-CG1 4.14Å; V232-I260 HydrophobicContact CG1-CG2 3.93Å; W237-I260 HydrophobicContact CE3-CD1 4.32Å; W237-I260 HydrophobicContact CE3-CG1 4.11Å; W237-I260 HydrophobicContact CZ3-CG1 4.35Å; L249-I260 HydrophobicContact CD1-CD1 3.42Å; L249-I260 VanDerWaalsContact CD1-CD1 3.42Å; L249-I260 HydrophobicContact CD1-CG1 4.41Å; L249-I260 HydrophobicContact CD2-CD1 3.5Å; L249-I260 VanDerWaalsContact CD2-CD1 3.5Å; L249-I260 HydrophobicContact CG-CD1 4.09Å; H256-I260 WeakPolarHBondContact O-CG1 3.2Å; H256-I260 PolarHBondContact O-N 2.78Å; I257-I260 PolarHBondContact O-N 2.79Å; I260-Q262 VanDerWaalsContact C-N 3.33Å; I260-Q262 PolarHBondContact O-N 2.85Å; I260-K263 PolarHBondContact O-N 3.31Å; I260-S264 VanDerWaalsContact O-CB 3.22Å; I260-S264 WeakPolarHBondContact O-CB 3.32Å; I260-S264 PolarHBondContact O-N 2.89Å; I260-S264 PolarHBondContact O-OG 3.35Å; I260-T281 HydrophobicContact CB-CG2 4.03Å; I260-T281 HydrophobicContact CG2-CG2 3.56Å; I260-V285 HydrophobicContact CD1-CG1 4.48Å; I260-V285 HydrophobicContact CD1-CG2 3.77Å; I260-V285 HydrophobicContact CG2-CG2 4.08Å
261Y98.4Very high96.5Very high55 Ų5555.7 Ų55.722%0.21628%0.282CS..Hα-helixtrans-57.7-46.9178.9169.6-122.1000111.2I257 Q258 W259 S264 L265 V276 Y278I257-Y261 VanDerWaalsContact O-CB 3.32Å; I257-Y261 WeakPolarHBondContact O-CB 3.45Å; I257-Y261 PolarHBondContact O-N 3.36Å; Q258-Y261 PolarHBondContact O-N 2.88Å; W259-Y261 VanDerWaalsContact C-N 3.31Å; W259-Y261 PolarHBondContact O-N 2.84Å; Y261-S264 WeakPolarHBondContact O-CB 3.21Å; Y261-S264 PolarHBondContact O-N 3.07Å; Y261-L265 HydrophobicContact CD1-CD1 4.5Å; Y261-L265 HydrophobicContact CD2-CD1 4.41Å; Y261-L265 HydrophobicContact CD2-CG 4.33Å; Y261-L265 HydrophobicContact CE1-CD1 3.92Å; Y261-L265 HydrophobicContact CE2-CD1 3.79Å; Y261-L265 HydrophobicContact CE2-CD2 4.15Å; Y261-L265 HydrophobicContact CE2-CG 3.85Å; Y261-L265 PolarHBondContact O-N 2.94Å; Y261-V276 HydrophobicContact CD2-CG1 4Å; Y261-V276 HydrophobicContact CE2-CG1 4.07Å; Y261-Y278 HydrophobicContact CD1-CD2 4.04Å; Y261-Y278 HydrophobicContact CG-CD2 4.16Å
262Q98.2Very high96.8Very high90 Ų9061.9 Ų61.942%0.42131%0.311SS..Hα-helixtrans-62.7-47.8179.3-173.659.134.400112.2Q258 W259 I260 S264 L265 E266Q258-Q262 PolarHBondContact O-N 3.03Å; W259-Q262 PolarHBondContact O-N 3.15Å; I260-Q262 VanDerWaalsContact C-N 3.33Å; I260-Q262 PolarHBondContact O-N 2.85Å; Q262-S264 VanDerWaalsContact C-N 3.27Å; Q262-S264 PolarHBondContact O-N 3.48Å; Q262-L265 WeakPolarHBondContact O-CB 3.41Å; Q262-L265 PolarHBondContact O-N 3.1Å; Q262-E266 PolarHBondContact O-N 2.86Å; Q262-E266 VanDerWaalsContact O-N 3.13Å
263K98.3Very high97.2Very high42 Ų4258.4 Ų58.418%0.18329%0.292CS..Hα-helixtrans-64.9-32.4176.2-68.4-50.4-171.7-1740113V232 W259 I260 E266 R267V232-K263 HydrophobicContact CB-CB 4.4Å; V232-K263 HydrophobicContact CG1-CB 3.64Å; V232-K263 HydrophobicContact CG1-CG 4.43Å; V232-K263 HydrophobicContact CG2-CB 3.77Å; W259-K263 HydrophobicContact CD2-CG 4.05Å; W259-K263 HydrophobicContact CE3-CG 4.2Å; W259-K263 HydrophobicContact CH2-CG 3.86Å; W259-K263 HydrophobicContact CZ2-CD 4.42Å; W259-K263 HydrophobicContact CZ2-CG 3.68Å; W259-K263 HydrophobicContact CZ3-CG 4.11Å; W259-K263 PolarHBondContact O-N 3.44Å; I260-K263 PolarHBondContact O-N 3.31Å; K263-E266 VanDerWaalsContact CD-OE2 3.23Å; K263-E266 WeakPolarHBondContact CD-OE2 3.4Å; K263-E266 IonicContact NZ-OE1 3.54Å; K263-E266 IonicContact NZ-OE2 2.99Å; K263-E266 PolarHBondContact NZ-OE2 3.42Å; K263-E266 PolarHBondContact O-N 3.3Å; K263-R267 PolarHBondContact O-N 3.13Å
264S98.3Very high97.4Very high0 Ų065.2 Ų65.20%032%0.32CS..Hα-helixtrans-67.7-37.7176.4-59.10000111.4I229 I260 Y261 Q262 A268I229-S264 WeakPolarHBondContact CA-OG 3.48Å; I260-S264 VanDerWaalsContact O-CB 3.22Å; I260-S264 WeakPolarHBondContact O-CB 3.32Å; I260-S264 PolarHBondContact O-N 2.89Å; I260-S264 PolarHBondContact O-OG 3.35Å; Y261-S264 WeakPolarHBondContact O-CB 3.21Å; Y261-S264 PolarHBondContact O-N 3.07Å; Q262-S264 VanDerWaalsContact C-N 3.27Å; Q262-S264 PolarHBondContact O-N 3.48Å; S264-A268 WeakPolarHBondContact O-CB 3.49Å; S264-A268 PolarHBondContact O-N 2.86Å
265L98.4Very high97.5Very high58 Ų5863.4 Ų63.430%0.30432%0.317SS..Hα-helixtrans-63.7-45.2172.9-75.2172000111.8Y261 Q262 R267 A268 S269 V276Y261-L265 HydrophobicContact CD1-CD1 4.5Å; Y261-L265 HydrophobicContact CD2-CD1 4.41Å; Y261-L265 HydrophobicContact CD2-CG 4.33Å; Y261-L265 HydrophobicContact CE1-CD1 3.92Å; Y261-L265 HydrophobicContact CE2-CD1 3.79Å; Y261-L265 HydrophobicContact CE2-CD2 4.15Å; Y261-L265 HydrophobicContact CE2-CG 3.85Å; Y261-L265 PolarHBondContact O-N 2.94Å; Q262-L265 WeakPolarHBondContact O-CB 3.41Å; Q262-L265 PolarHBondContact O-N 3.1Å; L265-R267 PolarHBondContact O-N 3.05Å; L265-A268 PolarHBondContact O-N 3.04Å; L265-S269 WeakPolarHBondContact O-CB 3.47Å; L265-S269 PolarHBondContact O-N 3.03Å; L265-V276 HydrophobicContact CD2-CB 4Å; L265-V276 HydrophobicContact CD2-CG1 4.06Å; L265-V276 HydrophobicContact CG-CG1 4.2Å
266E98Very high97.6Very high76 Ų7657.8 Ų57.836%0.35529%0.291SS..Hα-helixtrans-57.5-50.1176.7-69.8169.8-162.200110.8Q262 K263 S269 Q270Q262-E266 PolarHBondContact O-N 2.86Å; Q262-E266 VanDerWaalsContact O-N 3.13Å; K263-E266 VanDerWaalsContact CD-OE2 3.23Å; K263-E266 WeakPolarHBondContact CD-OE2 3.4Å; K263-E266 IonicContact NZ-OE1 3.54Å; K263-E266 IonicContact NZ-OE2 2.99Å; K263-E266 PolarHBondContact NZ-OE2 3.42Å; K263-E266 PolarHBondContact O-N 3.3Å; E266-S269 PolarHBondContact O-N 3.01Å; E266-Q270 WeakPolarHBondContact O-CG 3.23Å; E266-Q270 PolarHBondContact O-N 2.78Å
267R97.4Very high97.6Very high14 Ų1460.4 Ų60.45%0.05331%0.308CS..Hα-helixtrans-63.9-43.8177.8-175.3172.5-179.991.61.3112.1I218 A219 C228 Y231 K263 L265 S269 Q270 F271I218-R267 PolarHBondContact O-NH2 3.06Å; A219-R267 PolarHBondContact O-NH2 2.97Å; C228-R267 HydrophobicContact CB-CB 4.43Å; C228-R267 HydrophobicContact CB-CG 4.33Å; Y231-R267 VanDerWaalsContact CB-NE 3.27Å; Y231-R267 VanDerWaalsContact CD1-CZ 3.42Å; Y231-R267 VanDerWaalsContact CE2-CZ 3.47Å; K263-R267 PolarHBondContact O-N 3.13Å; L265-R267 PolarHBondContact O-N 3.05Å; R267-S269 VanDerWaalsContact C-N 3.28Å; R267-S269 PolarHBondContact O-N 3.11Å; R267-Q270 WeakPolarHBondContact O-CB 3.44Å; R267-Q270 PolarHBondContact O-N 2.89Å; R267-F271 HydrophobicContact CG-CD2 4.46Å; R267-F271 WeakPolarHBondContact O-CD2 3.18Å; R267-F271 PolarHBondContact O-N 2.82Å
268A97.9Very high97.6Very high3 Ų363.6 Ų63.63%0.02532%0.32CS..Hα-helixtrans-61.7-39178.900000111.7C228 S264 L265 Q270 F271 N272 I273 V276C228-A268 HydrophobicContact CB-CB 4.26Å; S264-A268 WeakPolarHBondContact O-CB 3.49Å; S264-A268 PolarHBondContact O-N 2.86Å; L265-A268 PolarHBondContact O-N 3.04Å; A268-Q270 VanDerWaalsContact C-N 3.33Å; A268-Q270 PolarHBondContact O-N 2.81Å; A268-F271 CarbonylContact O-C 3.55Å; A268-F271 PolarHBondContact O-N 3.28Å; A268-N272 PolarHBondContact O-N 2.6Å; A268-I273 HydrophobicContact CB-CB 4.19Å; A268-I273 WeakPolarHBondContact CB-O 3.45Å; A268-I273 PolarHBondContact O-N 3.12Å; A268-V276 HydrophobicContact CB-CG2 3.62Å
269S97.6Very high97.5Very high87 Ų8769.4 Ų69.461%0.60834%0.339SS*.Hα-helixtrans-61.6-38.2175.4-170.20000112.8L265 E266 R267 F271 N272L265-S269 WeakPolarHBondContact O-CB 3.47Å; L265-S269 PolarHBondContact O-N 3.03Å; E266-S269 PolarHBondContact O-N 3.01Å; R267-S269 VanDerWaalsContact C-N 3.28Å; R267-S269 PolarHBondContact O-N 3.11Å; S269-F271 PolarHBondContact O-N 3.04Å; S269-N272 PolarHBondContact O-N 2.83Å
270Q96.9Very high97.4Very high139 Ų13969.2 Ų69.265%0.6534%0.341SS*.Hα-helixtrans-62.3-31.9178.7-68.2167.31200112.6E266 R267 A268E266-Q270 WeakPolarHBondContact O-CG 3.23Å; E266-Q270 PolarHBondContact O-N 2.78Å; R267-Q270 WeakPolarHBondContact O-CB 3.44Å; R267-Q270 PolarHBondContact O-N 2.89Å; A268-Q270 VanDerWaalsContact C-N 3.33Å; A268-Q270 PolarHBondContact O-N 2.81Å
271F96.8Very high97.3Very high82 Ų8269.2 Ų69.236%0.3634%0.341SS..THydrogen-bonded Turntrans-104.69.5-178.6-68.8-91.9000113.1P222 R267 A268 S269 I273P222-F271 HydrophobicContact CG-CB 4.09Å; P222-F271 HydrophobicContact CG-CD1 3.57Å; P222-F271 HydrophobicContact CG-CD2 3.57Å; P222-F271 HydrophobicContact CG-CE1 3.79Å; P222-F271 HydrophobicContact CG-CE2 3.79Å; P222-F271 HydrophobicContact CG-CG 3.46Å; P222-F271 VanDerWaalsContact CG-CG 3.46Å; P222-F271 HydrophobicContact CG-CZ 3.89Å; R267-F271 HydrophobicContact CG-CD2 4.46Å; R267-F271 WeakPolarHBondContact O-CD2 3.18Å; R267-F271 PolarHBondContact O-N 2.82Å; A268-F271 CarbonylContact O-C 3.55Å; A268-F271 PolarHBondContact O-N 3.28Å; S269-F271 PolarHBondContact O-N 3.04Å; F271-I273 HydrophobicContact CB-CD1 3.75Å; F271-I273 HydrophobicContact CB-CG1 3.97Å; F271-I273 PolarHBondContact O-N 3.05Å
272N97.3Very high97.1Very high146 Ų14669.6 Ų69.678%0.78135%0.345SS*.THydrogen-bonded Turntrans54.733.3-175.8-60.5-64000114.1A268 S269A268-N272 PolarHBondContact O-N 2.6Å; S269-N272 PolarHBondContact O-N 2.83Å
273I97.7Very high96.8Very high24 Ų2466.5 Ų66.512%0.12334%0.337CS..  trans-89.5130.8178.1-62.3169000108.8P222 P225 A268 F271P222-I273 HydrophobicContact CB-CD1 3.78Å; P222-I273 HydrophobicContact CG-CD1 4.09Å; P225-I273 HydrophobicContact CB-CG2 4.32Å; A268-I273 HydrophobicContact CB-CB 4.19Å; A268-I273 WeakPolarHBondContact CB-O 3.45Å; A268-I273 PolarHBondContact O-N 3.12Å; F271-I273 HydrophobicContact CB-CD1 3.75Å; F271-I273 HydrophobicContact CB-CG1 3.97Å; F271-I273 PolarHBondContact O-N 3.05Å
274K96.6Very high96.6Very high191 Ų19165.3 Ų65.383%0.8333%0.333SS*.  trans-104.6164.8176-63.1-177.4-179.3179.40110.4
275G95.6Very high96.4Very high47 Ų4766 Ų6649%0.48534%0.337SS..  trans98.22.6171.500000115.8T277 L280G275-T277 PolarHBondContact O-N 3.46Å; G275-L280 WeakPolarHBondContact O-CD2 3.36Å
276V97.8Very high96Very high13 Ų1366.9 Ų66.98%0.07934%0.338CS..  trans-67.6119.4169.1179.20000109P225 I229 Y261 L265 A268P225-V276 HydrophobicContact CB-CB 4.46Å; P225-V276 HydrophobicContact CB-CG2 3.6Å; I229-V276 HydrophobicContact CG1-CG1 4.46Å; Y261-V276 HydrophobicContact CD2-CG1 4Å; Y261-V276 HydrophobicContact CE2-CG1 4.07Å; L265-V276 HydrophobicContact CD2-CB 4Å; L265-V276 HydrophobicContact CD2-CG1 4.06Å; L265-V276 HydrophobicContact CG-CG1 4.2Å; A268-V276 HydrophobicContact CB-CG2 3.62Å
277T97.8Very high95.6Very high67 Ų6769 Ų6941%0.41134%0.343SS..  trans-132.8155177.164.50000109.2G275 R279 L280 T281G275-T277 PolarHBondContact O-N 3.46Å; T277-R279 PolarHBondContact O-N 3.2Å; T277-L280 PolarHBondContact O-N 3.33Å; T277-L280 WeakPolarHBondContact OG1-CB 3.4Å; T277-L280 PolarHBondContact OG1-N 3.37Å; T277-L280 VanDerWaalsContact OG1-N 3.17Å; T277-T281 PolarHBondContact O-N 3Å; T277-T281 PolarHBondContact O-OG1 3.37Å
278Y96.6Very high95.1Very high68 Ų6872.6 Ų72.627%0.26736%0.362SS..Hα-helixtrans-54.9-41.6177-172.7-90.4000112.2I257 Q258 Y261 L280 T281 Q282I257-Y278 HydrophobicContact CB-CE2 4.37Å; I257-Y278 HydrophobicContact CG2-CD2 4.22Å; I257-Y278 HydrophobicContact CG2-CE1 4.15Å; I257-Y278 HydrophobicContact CG2-CE2 3.57Å; Q258-Y278 HydrophobicContact CB-CE2 4.4Å; Y261-Y278 HydrophobicContact CD1-CD2 4.04Å; Y261-Y278 HydrophobicContact CG-CD2 4.16Å; Y278-L280 PolarHBondContact O-N 3.33Å; Y278-T281 WeakPolarHBondContact O-CB 3.27Å; Y278-T281 PolarHBondContact O-N 2.97Å; Y278-Q282 HydrophobicContact CD1-CG 4.21Å; Y278-Q282 HydrophobicContact CE1-CG 3.9Å; Y278-Q282 PolarHBondContact O-N 2.94Å
279R95.1Very high94.7Very high209 Ų20976.2 Ų76.279%0.78938%0.38SS*.Hα-helixtrans-61.3-43.2176.3-175-176.4-64.5164.80.5112.3T277 T281 Q282 G283T277-R279 PolarHBondContact O-N 3.2Å; R279-T281 VanDerWaalsContact C-N 3.34Å; R279-Q282 PolarHBondContact O-N 3.41Å; R279-G283 PolarHBondContact O-N 2.97Å
280L96.4Very high94.3Very high42 Ų4276.4 Ų76.422%0.2238%0.38CS..Hα-helixtrans-66.5-38.4176.5-17763.6000111.1P225 E226 I229 G275 T277 Y278 G283 V284P225-L280 HydrophobicContact CB-CD2 3.72Å; P225-L280 HydrophobicContact CG-CD2 3.66Å; E226-L280 HydrophobicContact CG-CD1 4.18Å; I229-L280 HydrophobicContact CD1-CB 4.34Å; I229-L280 HydrophobicContact CD1-CD2 4.01Å; I229-L280 HydrophobicContact CD1-CG 3.77Å; G275-L280 WeakPolarHBondContact O-CD2 3.36Å; T277-L280 PolarHBondContact O-N 3.33Å; T277-L280 WeakPolarHBondContact OG1-CB 3.4Å; T277-L280 PolarHBondContact OG1-N 3.37Å; T277-L280 VanDerWaalsContact OG1-N 3.17Å; Y278-L280 PolarHBondContact O-N 3.33Å; L280-G283 WeakPolarHBondContact O-CA 3.49Å; L280-G283 PolarHBondContact O-N 2.75Å; L280-G283 VanDerWaalsContact O-N 3.16Å; L280-V284 HydrophobicContact CD1-CG2 4.25Å; L280-V284 HydrophobicContact CG-CG2 4.39Å; L280-V284 WeakPolarHBondContact O-CG2 3.37Å; L280-V284 PolarHBondContact O-N 3.32Å
281T96.9Very high94Very high0 Ų071 Ų710%036%0.359CS..Hα-helixtrans-58.2-49.2174.6-59.40000111.4I229 I257 I260 T277 Y278 R279 G283 V284 V285I229-T281 HydrophobicContact CG2-CG2 4.15Å; I257-T281 HydrophobicContact CG2-CG2 4.19Å; I260-T281 HydrophobicContact CB-CG2 4.03Å; I260-T281 HydrophobicContact CG2-CG2 3.56Å; T277-T281 PolarHBondContact O-N 3Å; T277-T281 PolarHBondContact O-OG1 3.37Å; Y278-T281 WeakPolarHBondContact O-CB 3.27Å; Y278-T281 PolarHBondContact O-N 2.97Å; R279-T281 VanDerWaalsContact C-N 3.34Å; T281-G283 VanDerWaalsContact C-N 3.31Å; T281-G283 PolarHBondContact O-N 2.8Å; T281-V284 PolarHBondContact O-N 3.28Å; T281-V285 HydrophobicContact CG2-CG2 4.18Å; T281-V285 WeakPolarHBondContact O-CB 3.46Å; T281-V285 VanDerWaalsContact O-CG2 3.24Å; T281-V285 WeakPolarHBondContact O-CG2 3.45Å; T281-V285 PolarHBondContact O-N 3.03Å
282Q93.3Very high94Very high64 Ų6469.3 Ų69.330%0.29936%0.355SS..Hα-helixtrans-57.9-44.8173.6-69.2-178.2-62.700111.8I257 Y278 R279 V284 V285 K286 I288I257-Q282 HydrophobicContact CG2-CG 3.62Å; Y278-Q282 HydrophobicContact CD1-CG 4.21Å; Y278-Q282 HydrophobicContact CE1-CG 3.9Å; Y278-Q282 PolarHBondContact O-N 2.94Å; R279-Q282 PolarHBondContact O-N 3.41Å; Q282-V284 PolarHBondContact O-N 3.4Å; Q282-V285 PolarHBondContact O-N 3.48Å; Q282-K286 WeakPolarHBondContact O-CB 3.49Å; Q282-K286 PolarHBondContact O-N 2.85Å; Q282-I288 HydrophobicContact CB-CD1 4.09Å
283G93.1Very high93.9Very high24 Ų2464.3 Ų64.325%0.24733%0.334CS..Hα-helixtrans-56.1-47.8178.300000113.3R279 L280 T281 R287 I288R279-G283 PolarHBondContact O-N 2.97Å; L280-G283 WeakPolarHBondContact O-CA 3.49Å; L280-G283 PolarHBondContact O-N 2.75Å; L280-G283 VanDerWaalsContact O-N 3.16Å; T281-G283 VanDerWaalsContact C-N 3.31Å; T281-G283 PolarHBondContact O-N 2.8Å; G283-R287 CarbonylContact O-C 3.48Å; G283-R287 WeakPolarHBondContact O-CA 3.32Å; G283-R287 PolarHBondContact O-N 2.79Å; G283-I288 PolarHBondContact O-N 3.05Å
284V93.7Very high94Very high18 Ų1866 Ų6611%0.10935%0.348CS..Hα-helixtrans-72.7-46-179.8175.20000111.3E226 I229 L280 T281 Q282 R287E226-V284 HydrophobicContact CB-CG2 4.06Å; E226-V284 HydrophobicContact CG-CG2 3.75Å; I229-V284 HydrophobicContact CB-CB 4.3Å; I229-V284 HydrophobicContact CB-CG1 4.12Å; I229-V284 HydrophobicContact CD1-CG2 4.12Å; I229-V284 HydrophobicContact CG2-CB 3.77Å; I229-V284 HydrophobicContact CG2-CG1 3.71Å; I229-V284 HydrophobicContact CG2-CG2 4.49Å; L280-V284 HydrophobicContact CD1-CG2 4.25Å; L280-V284 HydrophobicContact CG-CG2 4.39Å; L280-V284 WeakPolarHBondContact O-CG2 3.37Å; L280-V284 PolarHBondContact O-N 3.32Å; T281-V284 PolarHBondContact O-N 3.28Å; Q282-V284 PolarHBondContact O-N 3.4Å; V284-R287 PolarHBondContact O-N 2.62Å
285V93.8Very high94Very high13 Ų1357 Ų578%0.07931%0.309CS..Hα-helixtrans-64.2-47.9-176.5172.70000111.5I229 L249 I257 I260 T281 Q282I229-V285 HydrophobicContact CG2-CG2 4.19Å; L249-V285 HydrophobicContact CD2-CG1 4.06Å; L249-V285 HydrophobicContact CG-CG1 4.49Å; I257-V285 HydrophobicContact CD1-CB 3.87Å; I257-V285 HydrophobicContact CD1-CG1 3.64Å; I257-V285 HydrophobicContact CD1-CG2 4.11Å; I260-V285 HydrophobicContact CD1-CG1 4.48Å; I260-V285 HydrophobicContact CD1-CG2 3.77Å; I260-V285 HydrophobicContact CG2-CG2 4.08Å; T281-V285 HydrophobicContact CG2-CG2 4.18Å; T281-V285 WeakPolarHBondContact O-CB 3.46Å; T281-V285 VanDerWaalsContact O-CG2 3.24Å; T281-V285 WeakPolarHBondContact O-CG2 3.45Å; T281-V285 PolarHBondContact O-N 3.03Å; Q282-V285 PolarHBondContact O-N 3.48Å
286K90.4Very high94.2Very high77 Ų7755.1 Ų55.134%0.33529%0.288SS..THydrogen-bonded Turntrans-87.8-2.7-178.9-59.418064.8162.20113.5G251 D252 Q282 I288G251-K286 WeakPolarHBondContact O-CD 3.37Å; D252-K286 VanDerWaalsContact OD1-CE 3.24Å; D252-K286 WeakPolarHBondContact OD1-CE 3.36Å; D252-K286 IonicContact OD1-NZ 2.85Å; D252-K286 PolarHBondContact OD1-NZ 3.21Å; Q282-K286 WeakPolarHBondContact O-CB 3.49Å; Q282-K286 PolarHBondContact O-N 2.85Å; K286-I288 VanDerWaalsContact C-N 3.28Å; K286-I288 HydrophobicContact CB-CD1 4.37Å; K286-I288 HydrophobicContact CB-CG1 3.72Å; K286-I288 HydrophobicContact CD-CD1 4.34Å; K286-I288 HydrophobicContact CD-CG1 4.5Å; K286-I288 PolarHBondContact O-N 3.12Å
287R89.3Confident94.2Very high120 Ų12056 Ų5645%0.45330%0.296SS..THydrogen-bonded Turntrans48.748.9-171.4-61.7-175.2170.9-131.1-3.6112G283 V284 I289G283-R287 CarbonylContact O-C 3.48Å; G283-R287 WeakPolarHBondContact O-CA 3.32Å; G283-R287 PolarHBondContact O-N 2.79Å; V284-R287 PolarHBondContact O-N 2.62Å; R287-I289 PolarHBondContact O-N 3.27Å
288I87.5Confident94.2Very high90 Ų9055.2 Ų55.246%0.46229%0.292SS..PPolyproline II helixtrans-62124.1-171.8-58.4-179.3000110.8Q282 G283 K286Q282-I288 HydrophobicContact CB-CD1 4.09Å; G283-I288 PolarHBondContact O-N 3.05Å; K286-I288 VanDerWaalsContact C-N 3.28Å; K286-I288 HydrophobicContact CB-CD1 4.37Å; K286-I288 HydrophobicContact CB-CG1 3.72Å; K286-I288 HydrophobicContact CD-CD1 4.34Å; K286-I288 HydrophobicContact CD-CG1 4.5Å; K286-I288 PolarHBondContact O-N 3.12Å
289I87.6Confident94.3Very high79 Ų7952 Ų5241%0.40528%0.279SS..PPolyproline II helixtrans-89.5122.8167.4-59.9176.5000108.2E183 R287 A291E183-I289 HydrophobicContact CB-CG2 3.91Å; E183-I289 HydrophobicContact CG-CG2 3.8Å; R287-I289 PolarHBondContact O-N 3.27Å; I289-A291 PolarHBondContact O-N 3.41Å
290P89.5Confident94.5Very high92 Ų9242 Ų4260%0.59724%0.242SC*.PPolyproline II helixtrans-55.9136.9173.1-25.134.7000111.2G184G184-P290 VanDerWaalsContact CA-O 3.3Å; G184-P290 WeakPolarHBondContact CA-O 3.35Å; G184-P290 PolarHBondContact N-O 2.78Å
291A92.2Very high94.6Very high25 Ų2542 Ų4221%0.20725%0.248CC..BIsolated β-bridgetrans-148.4135.3-176.400000112.4N89 I289N89-A291 PolarHBondContact ND2-O 2.83Å; I289-A291 PolarHBondContact O-N 3.41Å
292V94.9Very high94.7Very high46 Ų4643.6 Ų43.628%0.27926%0.257SS..  trans-129.4154.6179.3-66.30000111F185 S294 T295 N296F185-V292 HydrophobicContact CD1-CG2 4.16Å; F185-V292 HydrophobicContact CE1-CG2 4Å; V292-S294 VanDerWaalsContact C-N 3.33Å; V292-S294 WeakPolarHBondContact CG2-OG 3.39Å; V292-S294 PolarHBondContact O-N 3.45Å; V292-T295 WeakPolarHBondContact CG2-OG1 3.26Å; V292-N296 PolarHBondContact O-ND2 3.45Å
293A97.2Very high95Very high42 Ų4240.6 Ų40.635%0.34724%0.243SC..Hα-helixtrans-63.5-37.2-178.200000112.8R90 T295 N296 A297R90-A293 HydrophobicContact CB-CB 4.16Å; A293-T295 PolarHBondContact O-N 2.87Å; A293-N296 PolarHBondContact O-N 3.26Å; A293-A297 WeakPolarHBondContact O-CB 3.39Å; A293-A297 PolarHBondContact O-N 2.97Å
294S98.1Very high95.3Very high60 Ų6039.6 Ų39.642%0.4223%0.233SC..Hα-helixtrans-56.8-53.7-176.750.10000112.6V292 N296 A297 V298V292-S294 VanDerWaalsContact C-N 3.33Å; V292-S294 WeakPolarHBondContact CG2-OG 3.39Å; V292-S294 PolarHBondContact O-N 3.45Å; S294-N296 VanDerWaalsContact C-N 3.33Å; S294-N296 PolarHBondContact O-N 3.21Å; S294-A297 WeakPolarHBondContact O-CB 3.25Å; S294-A297 PolarHBondContact O-N 2.7Å; S294-A297 VanDerWaalsContact O-N 3.14Å; S294-V298 WeakPolarHBondContact O-CG2 3.36Å; S294-V298 PolarHBondContact O-N 2.85Å
295T98.1Very high95.5Very high1 Ų142 Ų421%0.00625%0.248CC..Hα-helixtrans-65.3-37.2-178.6-46.70000111.9T182 G184 K186 V292 A293 V298 I299 F324T182-T295 HydrophobicContact CG2-CG2 4.07Å; G184-T295 WeakPolarHBondContact O-CB 3.19Å; G184-T295 PolarHBondContact O-OG1 3.37Å; G184-T295 VanDerWaalsContact O-OG1 3.07Å; K186-T295 WeakPolarHBondContact O-CG2 3.2Å; V292-T295 WeakPolarHBondContact CG2-OG1 3.26Å; A293-T295 PolarHBondContact O-N 2.87Å; T295-V298 PolarHBondContact O-N 2.93Å; T295-I299 PolarHBondContact O-N 2.74Å; T295-I299 VanDerWaalsContact O-N 3.13Å; T295-F324 HydrophobicContact CG2-CD1 4.13Å; T295-F324 HydrophobicContact CG2-CE1 4.13Å
296N98.2Very high95.8Very high7 Ų741.9 Ų41.94%0.03725%0.246CC..Hα-helixtrans-61.6-44.3172.2-75.9-80000111.5L59 T182 V292 A293 S294 A300L59-N296 HydrophobicContact CD2-CB 4.37Å; L59-N296 WeakPolarHBondContact CD2-O 3.47Å; L59-N296 WeakPolarHBondContact CG-OD1 3.44Å; L59-N296 PolarHBondContact N-OD1 3.05Å; T182-N296 PolarHBondContact OG1-OD1 3.34Å; V292-N296 PolarHBondContact O-ND2 3.45Å; A293-N296 PolarHBondContact O-N 3.26Å; S294-N296 VanDerWaalsContact C-N 3.33Å; S294-N296 PolarHBondContact O-N 3.21Å; N296-A300 WeakPolarHBondContact O-CB 3.29Å; N296-A300 PolarHBondContact O-N 3.12Å
297A98.6Very high96.2Very high31 Ų3138.2 Ų38.226%0.25623%0.23SC..Hα-helixtrans-63.8-42.1178.400000112.2E62 A293 S294 A301E62-A297 HydrophobicContact CG-CB 4.28Å; A293-A297 WeakPolarHBondContact O-CB 3.39Å; A293-A297 PolarHBondContact O-N 2.97Å; S294-A297 WeakPolarHBondContact O-CB 3.25Å; S294-A297 PolarHBondContact O-N 2.7Å; S294-A297 VanDerWaalsContact O-N 3.14Å; A297-A301 WeakPolarHBondContact O-CB 3.4Å; A297-A301 PolarHBondContact O-N 2.8Å
298V98.8Very high96.6Very high52 Ų5233.6 Ų33.632%0.31521%0.213SC..Hα-helixtrans-59.2-54.4177.1172.60000110.9S294 T295 A301 V302 F324S294-V298 WeakPolarHBondContact O-CG2 3.36Å; S294-V298 PolarHBondContact O-N 2.85Å; T295-V298 PolarHBondContact O-N 2.93Å; V298-A301 PolarHBondContact O-N 3.39Å; V298-V302 PolarHBondContact O-N 3.25Å; V298-V302 VanDerWaalsContact O-N 3.16Å; V298-F324 HydrophobicContact CB-CE1 4.43Å; V298-F324 HydrophobicContact CB-CZ 4.43Å; V298-F324 HydrophobicContact CG1-CD1 4.18Å; V298-F324 HydrophobicContact CG1-CD2 3.84Å; V298-F324 HydrophobicContact CG1-CE1 4.27Å; V298-F324 HydrophobicContact CG1-CE2 3.93Å; V298-F324 HydrophobicContact CG1-CG 3.94Å; V298-F324 HydrophobicContact CG1-CZ 4.13Å; V298-F324 HydrophobicContact CG2-CE1 4.38Å; V298-F324 HydrophobicContact CG2-CE2 4.42Å; V298-F324 HydrophobicContact CG2-CZ 4.03Å
299I98.8Very high97.2Very high0 Ų031.2 Ų31.20%020%0.199CC..Hα-helixtrans-68.6-43.2-175.9-64.6-53000111.5L59 T182 N188 A189 T295 A301 V302 C303 F324L59-I299 HydrophobicContact CD2-CB 3.82Å; L59-I299 HydrophobicContact CD2-CG2 3.75Å; T182-I299 HydrophobicContact CG2-CB 3.99Å; T182-I299 HydrophobicContact CG2-CG1 3.81Å; T182-I299 HydrophobicContact CG2-CG2 4.39Å; N188-I299 VanDerWaalsContact O-CG2 3.27Å; N188-I299 WeakPolarHBondContact O-CG2 3.44Å; A189-I299 HydrophobicContact CB-CG2 4.4Å; T295-I299 PolarHBondContact O-N 2.74Å; T295-I299 VanDerWaalsContact O-N 3.13Å; I299-A301 VanDerWaalsContact C-N 3.25Å; I299-A301 PolarHBondContact O-N 3.46Å; I299-V302 PolarHBondContact O-N 3.18Å; I299-C303 PolarHBondContact O-N 3.3Å; I299-C303 PolarHBondContact O-SG 2.79Å; I299-C303 VanDerWaalsContact O-SG 3.34Å; I299-F324 HydrophobicContact CD1-CB 3.94Å
300A98.8Very high97.7Very high0 Ų029 Ų290%019%0.189CC..Hα-helixtrans-64-30.5176.700000112.8L59 E62 L63 N66 N296 A304L59-A300 HydrophobicContact CD2-CB 4.06Å; E62-A300 HydrophobicContact CB-CB 3.3Å; E62-A300 HydrophobicContact CG-CB 4.34Å; L63-A300 HydrophobicContact CD2-CB 4.15Å; L63-A300 HydrophobicContact CG-CB 4.01Å; N66-A300 PolarHBondContact ND2-O 3.26Å; N296-A300 WeakPolarHBondContact O-CB 3.29Å; N296-A300 PolarHBondContact O-N 3.12Å; A300-A304 VanDerWaalsContact O-CB 3.27Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 2.92Å
301A98.9Very high98.1Very high42 Ų4225.5 Ų25.535%0.34717%0.167SC..Hα-helixtrans-67.6-43.8173.800000111.6N66 A297 V298 I299 T305N66-A301 PolarHBondContact ND2-N 3.17Å; A297-A301 WeakPolarHBondContact O-CB 3.4Å; A297-A301 PolarHBondContact O-N 2.8Å; V298-A301 PolarHBondContact O-N 3.39Å; I299-A301 VanDerWaalsContact C-N 3.25Å; I299-A301 PolarHBondContact O-N 3.46Å; A301-T305 WeakPolarHBondContact O-CB 2.85Å; A301-T305 PolarHBondContact O-N 3.14Å; A301-T305 PolarHBondContact O-OG1 3.33Å
302V98.9Very high98.4Very high32 Ų3225 Ų2519%0.19416%0.161CC..Hα-helixtrans-59.9-52.7173.6177.40000109.8A189 V298 I299 A304 T305 E306 L322A189-V302 HydrophobicContact CB-CB 4.02Å; A189-V302 HydrophobicContact CB-CG1 3.58Å; V298-V302 PolarHBondContact O-N 3.25Å; V298-V302 VanDerWaalsContact O-N 3.16Å; I299-V302 PolarHBondContact O-N 3.18Å; V302-A304 PolarHBondContact O-N 3.13Å; V302-T305 WeakPolarHBondContact O-CB 3.36Å; V302-T305 PolarHBondContact O-N 2.88Å; V302-T305 VanDerWaalsContact O-N 3.13Å; V302-E306 WeakPolarHBondContact O-CG 3.44Å; V302-E306 PolarHBondContact O-N 2.92Å; V302-L322 HydrophobicContact CG1-CD1 4.37Å
303C98.9Very high98.6Very high2 Ų224.5 Ų24.51%0.01416%0.16CC..Hα-helixtrans-56.7-48.6-179.8-68.20000112.8L63 V142 I178 I299 T305 E306 V307L63-C303 HydrophobicContact CD2-CB 3.69Å; V142-C303 HydrophobicContact CG1-CB 4.27Å; I178-C303 HydrophobicContact CG2-CB 3.55Å; I299-C303 PolarHBondContact O-N 3.3Å; I299-C303 PolarHBondContact O-SG 2.79Å; I299-C303 VanDerWaalsContact O-SG 3.34Å; C303-T305 VanDerWaalsContact C-N 3.29Å; C303-T305 PolarHBondContact O-N 3.38Å; C303-E306 PolarHBondContact O-N 3.19Å; C303-V307 VanDerWaalsContact O-CG2 3.29Å; C303-V307 WeakPolarHBondContact O-CG2 3.19Å; C303-V307 PolarHBondContact O-N 3.16Å
304A98.9Very high98.6Very high3 Ų322.6 Ų22.63%0.02514%0.144CC..Hα-helixtrans-66.3-31.4179.200000112.9L63 N66 L67 A300 V302 E306 V307 F308L63-A304 HydrophobicContact CD2-CB 4.34Å; N66-A304 HydrophobicContact CB-CB 3.37Å; L67-A304 HydrophobicContact CD2-CB 4.22Å; A300-A304 VanDerWaalsContact O-CB 3.27Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 2.92Å; V302-A304 PolarHBondContact O-N 3.13Å; A304-E306 VanDerWaalsContact C-N 3.35Å; A304-V307 PolarHBondContact O-N 2.96Å; A304-F308 PolarHBondContact O-N 3.35Å
305T98.9Very high98.7Very high69 Ų6923.9 Ų23.942%0.42314%0.14SC..Hα-helixtrans-63.2-43.1172.8-60.10000110.7A301 V302 C303 F308 K309A301-T305 WeakPolarHBondContact O-CB 2.85Å; A301-T305 PolarHBondContact O-N 3.14Å; A301-T305 PolarHBondContact O-OG1 3.33Å; V302-T305 WeakPolarHBondContact O-CB 3.36Å; V302-T305 PolarHBondContact O-N 2.88Å; V302-T305 VanDerWaalsContact O-N 3.13Å; C303-T305 VanDerWaalsContact C-N 3.29Å; C303-T305 PolarHBondContact O-N 3.38Å; T305-F308 WeakPolarHBondContact O-CB 3.27Å; T305-F308 PolarHBondContact O-N 2.89Å; T305-K309 WeakPolarHBondContact O-CG 3.47Å; T305-K309 PolarHBondContact O-N 2.79Å
306E98.9Very high98.7Very high10 Ų1029 Ų295%0.04717%0.167CC..Hα-helixtrans-68.2-35.8178.1-60.8-45.6126.200112.6I178 V191 V302 C303 A304 F308 K309 I310 P317 L318I178-E306 HydrophobicContact CG1-CB 4.31Å; V191-E306 HydrophobicContact CG2-CB 3.69Å; V191-E306 HydrophobicContact CG2-CG 3.73Å; V302-E306 WeakPolarHBondContact O-CG 3.44Å; V302-E306 PolarHBondContact O-N 2.92Å; C303-E306 PolarHBondContact O-N 3.19Å; A304-E306 VanDerWaalsContact C-N 3.35Å; E306-F308 VanDerWaalsContact C-N 3.33Å; E306-F308 PolarHBondContact O-N 3.16Å; E306-K309 PolarHBondContact O-N 3.44Å; E306-K309 IonicContact OE1-NZ 3.94Å; E306-K309 PolarHBondContact OE1-NZ 3.2Å; E306-K309 WeakPolarHBondContact OE2-CD 3.47Å; E306-K309 IonicContact OE2-NZ 2.73Å; E306-I310 WeakPolarHBondContact O-CB 3.32Å; E306-I310 WeakPolarHBondContact O-CD1 3.41Å; E306-I310 VanDerWaalsContact O-CG1 3.26Å; E306-I310 WeakPolarHBondContact O-CG1 3.13Å; E306-I310 PolarHBondContact O-N 2.97Å; E306-P317 WeakPolarHBondContact OE2-CA 3.45Å; E306-L318 VanDerWaalsContact CD-CB 3.49Å; E306-L318 HydrophobicContact CG-CB 3.9Å; E306-L318 WeakPolarHBondContact OE2-CB 3.14Å; E306-L318 PolarHBondContact OE2-N 3.32Å
307V98.9Very high98.7Very high0 Ų030.5 Ų30.50%018%0.177CC..Hα-helixtrans-60.6-44.7172176.60000111.1V51 L67 F72 I140 V142 I178 C303 A304 I310 A311V51-V307 HydrophobicContact CG1-CG1 4.36Å; V51-V307 HydrophobicContact CG2-CG1 4.32Å; L67-V307 HydrophobicContact CD2-CB 3.83Å; L67-V307 HydrophobicContact CD2-CG1 3.52Å; L67-V307 HydrophobicContact CD2-CG2 4.29Å; F72-V307 HydrophobicContact CE1-CG1 4.15Å; F72-V307 HydrophobicContact CE2-CG1 4.22Å; F72-V307 HydrophobicContact CZ-CG1 3.75Å; I140-V307 HydrophobicContact CD1-CG1 4.03Å; I140-V307 HydrophobicContact CG2-CG1 4.13Å; I140-V307 HydrophobicContact CG2-CG2 4.18Å; V142-V307 HydrophobicContact CB-CG2 4.46Å; V142-V307 HydrophobicContact CG1-CG2 4.37Å; V142-V307 HydrophobicContact CG2-CG2 3.27Å; I178-V307 HydrophobicContact CB-CG2 4.3Å; I178-V307 HydrophobicContact CD1-CG2 3.83Å; I178-V307 HydrophobicContact CG1-CG2 3.93Å; C303-V307 VanDerWaalsContact O-CG2 3.29Å; C303-V307 WeakPolarHBondContact O-CG2 3.19Å; C303-V307 PolarHBondContact O-N 3.16Å; A304-V307 PolarHBondContact O-N 2.96Å; V307-I310 PolarHBondContact O-N 2.94Å; V307-A311 VanDerWaalsContact O-CB 3.29Å; V307-A311 WeakPolarHBondContact O-CB 3.3Å; V307-A311 PolarHBondContact O-N 2.78Å
308F98.9Very high98.7Very high22 Ų2230.2 Ų30.210%0.09617%0.171CC..Hα-helixtrans-60.4-47.6176.1-178.3-96.8000111.4V20 F23 L24 L45 F72 A304 T305 E306 I310 A311 T312 A314V20-F308 HydrophobicContact CG1-CE2 3.76Å; V20-F308 HydrophobicContact CG1-CZ 4.01Å; F23-F308 HydrophobicContact CB-CE1 4.22Å; F23-F308 HydrophobicContact CB-CZ 4.37Å; L24-F308 HydrophobicContact CD1-CZ 4.46Å; L24-F308 HydrophobicContact CD2-CE1 4.43Å; L24-F308 HydrophobicContact CD2-CE2 4.47Å; L24-F308 HydrophobicContact CD2-CZ 3.77Å; L24-F308 HydrophobicContact CG-CZ 4.16Å; L45-F308 HydrophobicContact CD1-CD2 4.16Å; L45-F308 HydrophobicContact CD1-CE2 3.69Å; F72-F308 HydrophobicContact CE2-CB 4.4Å; F72-F308 HydrophobicContact CE2-CD2 4.27Å; A304-F308 PolarHBondContact O-N 3.35Å; T305-F308 WeakPolarHBondContact O-CB 3.27Å; T305-F308 PolarHBondContact O-N 2.89Å; E306-F308 VanDerWaalsContact C-N 3.33Å; E306-F308 PolarHBondContact O-N 3.16Å; F308-I310 PolarHBondContact O-N 2.96Å; F308-A311 PolarHBondContact O-N 2.98Å; F308-T312 HydrophobicContact CD2-CG2 4.31Å; F308-T312 HydrophobicContact CE2-CG2 4.09Å; F308-T312 HydrophobicContact CZ-CG2 4.28Å; F308-T312 WeakPolarHBondContact O-CG2 3.11Å; F308-T312 PolarHBondContact O-N 2.85Å; F308-T312 PolarHBondContact O-OG1 3.39Å; F308-T312 VanDerWaalsContact O-OG1 3.06Å; F308-A314 HydrophobicContact CE1-CB 4.15Å
309K98.8Very high98.5Very high40 Ų4031.5 Ų31.517%0.17418%0.176CC..Hα-helixtrans-59.8-45.5178.4-69.5175.6-177.7168.20112.6T305 E306 T312 S313T305-K309 WeakPolarHBondContact O-CG 3.47Å; T305-K309 PolarHBondContact O-N 2.79Å; E306-K309 PolarHBondContact O-N 3.44Å; E306-K309 IonicContact OE1-NZ 3.94Å; E306-K309 PolarHBondContact OE1-NZ 3.2Å; E306-K309 WeakPolarHBondContact OE2-CD 3.47Å; E306-K309 IonicContact OE2-NZ 2.73Å; K309-T312 PolarHBondContact O-N 2.92Å; K309-S313 VanDerWaalsContact O-CA 3.29Å; K309-S313 WeakPolarHBondContact O-CA 3.39Å; K309-S313 PolarHBondContact O-N 3.49Å
310I98.6Very high98.1Very high34 Ų3431.8 Ų31.817%0.17418%0.177CC..Hα-helixtrans-66-41.3-179.8-69.3164.5000110.8I140 P176 I178 V191 E306 V307 F308 T312 P317I140-I310 HydrophobicContact CD1-CB 4.07Å; I140-I310 HydrophobicContact CD1-CG2 3.73Å; I140-I310 HydrophobicContact CG1-CG2 4.13Å; P176-I310 HydrophobicContact CB-CD1 4.26Å; P176-I310 HydrophobicContact CB-CG2 3.98Å; P176-I310 HydrophobicContact CG-CG2 3.82Å; I178-I310 HydrophobicContact CD1-CD1 3.79Å; I178-I310 HydrophobicContact CG1-CD1 4.2Å; V191-I310 HydrophobicContact CG1-CD1 3.8Å; E306-I310 WeakPolarHBondContact O-CB 3.32Å; E306-I310 WeakPolarHBondContact O-CD1 3.41Å; E306-I310 VanDerWaalsContact O-CG1 3.26Å; E306-I310 WeakPolarHBondContact O-CG1 3.13Å; E306-I310 PolarHBondContact O-N 2.97Å; V307-I310 PolarHBondContact O-N 2.94Å; F308-I310 PolarHBondContact O-N 2.96Å; I310-T312 VanDerWaalsContact C-N 3.27Å; I310-T312 PolarHBondContact O-N 3.31Å; I310-P317 HydrophobicContact CG1-CB 4.04Å; I310-P317 HydrophobicContact CG1-CG 3.72Å
311A98.5Very high98.1Very high18 Ų1832.7 Ų32.715%0.14918%0.181CC..Hα-helixtrans-69.1-24.5-178.200000113.7L45 F72 I140 V307 F308L45-A311 HydrophobicContact CD2-CB 3.7Å; F72-A311 HydrophobicContact CE1-CB 3.75Å; F72-A311 HydrophobicContact CZ-CB 3.7Å; I140-A311 HydrophobicContact CD1-CB 3.74Å; V307-A311 VanDerWaalsContact O-CB 3.29Å; V307-A311 WeakPolarHBondContact O-CB 3.3Å; V307-A311 PolarHBondContact O-N 2.78Å; F308-A311 PolarHBondContact O-N 2.98Å
312T98.4Very high98.1Very high13 Ų1331.7 Ų31.78%0.0817%0.169CC..Hα-helixtrans-123.6-7.5-169.574.10000114.4L24 L45 F308 K309 I310 A314L24-T312 HydrophobicContact CD2-CG2 3.74Å; L45-T312 HydrophobicContact CD1-CG2 3.68Å; L45-T312 HydrophobicContact CD2-CG2 3.72Å; L45-T312 HydrophobicContact CG-CG2 3.88Å; F308-T312 HydrophobicContact CD2-CG2 4.31Å; F308-T312 HydrophobicContact CE2-CG2 4.09Å; F308-T312 HydrophobicContact CZ-CG2 4.28Å; F308-T312 WeakPolarHBondContact O-CG2 3.11Å; F308-T312 PolarHBondContact O-N 2.85Å; F308-T312 PolarHBondContact O-OG1 3.39Å; F308-T312 VanDerWaalsContact O-OG1 3.06Å; K309-T312 PolarHBondContact O-N 2.92Å; I310-T312 VanDerWaalsContact C-N 3.27Å; I310-T312 PolarHBondContact O-N 3.31Å; T312-A314 PolarHBondContact O-N 2.93Å; T312-A314 WeakPolarHBondContact OG1-CB 3.41Å; T312-A314 PolarHBondContact OG1-N 3.1Å; T312-A314 VanDerWaalsContact OG1-N 3.14Å
313S98.6Very high98Very high37 Ų3732.6 Ų32.626%0.25918%0.175SC..  trans55.618.8-170.2-58.30000113.5H32 F35 K309 Y315H32-S313 WeakPolarHBondContact CB-O 3.29Å; H32-S313 PolarHBondContact N-O 3.28Å; F35-S313 WeakPolarHBondContact CB-O 3.28Å; F35-S313 WeakPolarHBondContact CD2-O 3.47Å; K309-S313 VanDerWaalsContact O-CA 3.29Å; K309-S313 WeakPolarHBondContact O-CA 3.39Å; K309-S313 PolarHBondContact O-N 3.49Å; S313-Y315 PolarHBondContact O-N 3.05Å; S313-Y315 VanDerWaalsContact O-N 3.16Å
314A98Very high98Very high1 Ų133 Ų331%0.00818%0.177CC..SBendtrans-61.9-31.2-174.100000112.6L24 T31 F35 F308 T312L24-A314 HydrophobicContact CD2-CB 4.5Å; T31-A314 WeakPolarHBondContact CA-O 3.33Å; F35-A314 HydrophobicContact CE2-CB 4.29Å; F308-A314 HydrophobicContact CE1-CB 4.15Å; T312-A314 PolarHBondContact O-N 2.93Å; T312-A314 WeakPolarHBondContact OG1-CB 3.41Å; T312-A314 PolarHBondContact OG1-N 3.1Å; T312-A314 VanDerWaalsContact OG1-N 3.14Å
315Y98.7Very high98Very high88 Ų8835.1 Ų35.135%0.34519%0.187SC..SBendtrans-145.6163174-66.6-90.6000109.7F23 F30 S313F23-Y315 AromaticContact CD1-CE2 3.72Å; F23-Y315 HydrophobicContact CD1-CE2 3.72Å; F23-Y315 HydrophobicContact CE1-CE2 4.16Å; F30-Y315 HydrophobicContact CB-CD1 4.14Å; F30-Y315 HydrophobicContact CB-CE1 4.1Å; F30-Y315 VanDerWaalsContact O-CD1 3.31Å; F30-Y315 WeakPolarHBondContact O-CD1 3.2Å; S313-Y315 PolarHBondContact O-N 3.05Å; S313-Y315 VanDerWaalsContact O-N 3.16Å
316I98.3Very high97.8Very high109 Ų10933.8 Ų33.856%0.55918%0.178SC*.PPolyproline II helixtrans-61.8128.6169.6-54.2171.8000108.9
317P98.3Very high97.7Very high38 Ų3838.1 Ų38.125%0.24721%0.205CC..PPolyproline II helixtrans-61.3159.7175.4-2334.1000112.6E306 I310 N319E306-P317 WeakPolarHBondContact OE2-CA 3.45Å; I310-P317 HydrophobicContact CG1-CB 4.04Å; I310-P317 HydrophobicContact CG1-CG 3.72Å; P317-N319 PolarHBondContact O-N 3.32Å
318L98.1Very high97.5Very high25 Ų2545.4 Ų45.413%0.13124%0.244CC..PPolyproline II helixtrans-51.6129.417017564.4000109.3V191 E306 N320 L322 T334V191-L318 HydrophobicContact CG2-CB 3.94Å; V191-L318 HydrophobicContact CG2-CD2 4.46Å; E306-L318 VanDerWaalsContact CD-CB 3.49Å; E306-L318 HydrophobicContact CG-CB 3.9Å; E306-L318 WeakPolarHBondContact OE2-CB 3.14Å; E306-L318 PolarHBondContact OE2-N 3.32Å; L318-N320 PolarHBondContact O-N 2.67Å; L318-L322 HydrophobicContact CD2-CB 3.96Å; L318-T334 HydrophobicContact CD1-CG2 3.44Å; L318-T334 VanDerWaalsContact CD1-CG2 3.44Å
319N95.6Very high97.3Very high79 Ų7946.9 Ų46.942%0.42227%0.265SS..  trans-77.675.8175.8-159-3.6000110.5P317 Y321 F335 E336P317-N319 PolarHBondContact O-N 3.32Å; N319-Y321 PolarHBondContact O-N 2.85Å; N319-Y321 VanDerWaalsContact O-N 3.09Å; N319-F335 VanDerWaalsContact O-O 3.05Å; N319-E336 PolarHBondContact ND2-OE2 3.47Å; N319-E336 WeakPolarHBondContact OD1-CG 3.38Å
320N90.5Very high97.2Very high6 Ų652 Ų523%0.03229%0.294CS..SBendtrans65.7-44.1172.983.143.1000120.9R190 V191 L318 F335 E336 A337R190-N320 CarbonylContact C-O 3.57Å; R190-N320 WeakPolarHBondContact CA-O 3.41Å; R190-N320 WeakPolarHBondContact CB-O 3.4Å; V191-N320 PolarHBondContact N-O 3.01Å; V191-N320 WeakPolarHBondContact O-CA 3.43Å; L318-N320 PolarHBondContact O-N 2.67Å; N320-F335 PolarHBondContact OD1-O 3.48Å; N320-F335 VanDerWaalsContact OD1-O 3.06Å; N320-E336 WeakPolarHBondContact ND2-CA 3.42Å; N320-E336 WeakPolarHBondContact ND2-CG 3.45Å; N320-E336 WeakPolarHBondContact OD1-CA 3.26Å; N320-A337 PolarHBondContact ND2-N 2.77Å; N320-A337 PolarHBondContact ND2-O 3.05Å; N320-A337 WeakPolarHBondContact OD1-CB 3.04Å; N320-A337 PolarHBondContact OD1-N 2.96Å
321Y98.1Very high97.2Very high19 Ų1956.4 Ų56.48%0.07531%0.309CS..EExtended strand (participates in β ladder)trans-139.7134.9-170.4-142.8-76.4000114.1N188 R190 L206 N319 V323 T334 F335N188-Y321 HydrophobicContact CB-CE1 3.75Å; N188-Y321 PolarHBondContact ND2-OH 3.42Å; R190-Y321 HydrophobicContact CB-CD2 4.06Å; R190-Y321 HydrophobicContact CB-CE2 4.4Å; L206-Y321 HydrophobicContact CD1-CE2 4.07Å; N319-Y321 PolarHBondContact O-N 2.85Å; N319-Y321 VanDerWaalsContact O-N 3.09Å; Y321-V323 HydrophobicContact CD1-CG2 3.97Å; Y321-V323 HydrophobicContact CE1-CG2 3.73Å; Y321-T334 WeakPolarHBondContact O-CA 3.29Å; Y321-F335 WeakPolarHBondContact CB-O 3.36Å; Y321-F335 AromaticContact CD1-CE1 3.6Å; Y321-F335 HydrophobicContact CD1-CE1 3.6Å; Y321-F335 AromaticContact CD1-CZ 3.74Å; Y321-F335 HydrophobicContact CD1-CZ 3.74Å; Y321-F335 HydrophobicContact CD2-CZ 4.38Å; Y321-F335 HydrophobicContact CE1-CE1 4.41Å; Y321-F335 HydrophobicContact CE1-CZ 4.41Å; Y321-F335 AromaticContact CG-CE1 3.94Å; Y321-F335 HydrophobicContact CG-CE1 3.94Å; Y321-F335 HydrophobicContact CG-CE2 4.42Å; Y321-F335 AromaticContact CG-CZ 3.73Å; Y321-F335 HydrophobicContact CG-CZ 3.73Å; Y321-F335 PolarHBondContact N-O 2.97Å; Y321-F335 PolarHBondContact O-N 3.13Å
322L98.6Very high97.2Very high20 Ų2059.5 Ų59.511%0.10533%0.326CS..EExtended strand (participates in β ladder)trans-131.9134171.1-179150.8000110N188 A189 V302 L318 F324 Y333N188-L322 CarbonylContact C-O 3.56Å; N188-L322 WeakPolarHBondContact CA-O 3.32Å; N188-L322 VanDerWaalsContact CB-O 3.3Å; N188-L322 WeakPolarHBondContact CB-O 3.45Å; A189-L322 PolarHBondContact N-O 3.14Å; A189-L322 PolarHBondContact O-N 3.34Å; V302-L322 HydrophobicContact CG1-CD1 4.37Å; L318-L322 HydrophobicContact CD2-CB 3.96Å; L322-F324 HydrophobicContact CD2-CB 4.42Å; L322-Y333 CarbonylContact C-O 3.57Å; L322-Y333 WeakPolarHBondContact CA-O 3.41Å
323V98.1Very high97.2Very high51 Ų5164.8 Ų64.831%0.30935%0.345SS..EExtended strand (participates in β ladder)trans-109.9143.9170.1178.70000109.3Y321 T332 Y333 F335Y321-V323 HydrophobicContact CD1-CG2 3.97Å; Y321-V323 HydrophobicContact CE1-CG2 3.73Å; V323-T332 CarbonylContact O-C 3.55Å; V323-T332 WeakPolarHBondContact O-CA 3.48Å; V323-Y333 PolarHBondContact N-O 2.93Å; V323-Y333 PolarHBondContact O-N 2.73Å; V323-F335 HydrophobicContact CG2-CE1 4.32Å
324F98.4Very high97.2Very high11 Ų1166.4 Ų66.45%0.04835%0.354CS..EExtended strand (participates in β ladder)trans-128.6141.8176.3171.9-101.2000110.9K186 G187 T295 V298 I299 L322 D326 L330 Y331 T332K186-F324 WeakPolarHBondContact CA-O 3.15Å; G187-F324 PolarHBondContact N-O 2.94Å; G187-F324 PolarHBondContact O-N 2.93Å; T295-F324 HydrophobicContact CG2-CD1 4.13Å; T295-F324 HydrophobicContact CG2-CE1 4.13Å; V298-F324 HydrophobicContact CB-CE1 4.43Å; V298-F324 HydrophobicContact CB-CZ 4.43Å; V298-F324 HydrophobicContact CG1-CD1 4.18Å; V298-F324 HydrophobicContact CG1-CD2 3.84Å; V298-F324 HydrophobicContact CG1-CE1 4.27Å; V298-F324 HydrophobicContact CG1-CE2 3.93Å; V298-F324 HydrophobicContact CG1-CG 3.94Å; V298-F324 HydrophobicContact CG1-CZ 4.13Å; V298-F324 HydrophobicContact CG2-CE1 4.38Å; V298-F324 HydrophobicContact CG2-CE2 4.42Å; V298-F324 HydrophobicContact CG2-CZ 4.03Å; I299-F324 HydrophobicContact CD1-CB 3.94Å; L322-F324 HydrophobicContact CD2-CB 4.42Å; F324-D326 HydrophobicContact CE1-CB 4.12Å; F324-D326 HydrophobicContact CZ-CB 3.72Å; F324-L330 HydrophobicContact CE2-CD2 4.12Å; F324-L330 HydrophobicContact CZ-CD2 4.17Å; F324-Y331 WeakPolarHBondContact CA-O 3.37Å; F324-T332 HydrophobicContact CB-CG2 4.47Å; F324-T332 HydrophobicContact CD2-CG2 3.87Å
325N98.1Very high97.1Very high47 Ų4769 Ų6925%0.25137%0.365SS..EExtended strand (participates in β ladder)trans-149.3129174.1-173.5-4.2000110.2F185 K186 V327 Y331F185-N325 WeakPolarHBondContact O-CA 3.3Å; K186-N325 HydrophobicContact CG-CB 4.4Å; N325-V327 WeakPolarHBondContact OD1-CB 3.48Å; N325-V327 VanDerWaalsContact OD1-CG2 3.32Å; N325-V327 WeakPolarHBondContact OD1-CG2 3.45Å; N325-V327 PolarHBondContact OD1-N 3.27Å; N325-Y331 PolarHBondContact N-O 3.32Å; N325-Y331 PolarHBondContact O-N 3.31Å
326D96.4Very high97.1Very high42 Ų4270.8 Ų70.823%0.22538%0.377CS..  trans-112.98.2175.285.726.5000116F185 F324 D328 G329 L330F185-D326 WeakPolarHBondContact CB-OD1 3.47Å; F185-D326 WeakPolarHBondContact CD1-OD1 3.39Å; F185-D326 WeakPolarHBondContact CG-OD1 3.44Å; F185-D326 PolarHBondContact O-N 2.55Å; F324-D326 HydrophobicContact CE1-CB 4.12Å; F324-D326 HydrophobicContact CZ-CB 3.72Å; D326-D328 VanDerWaalsContact C-N 3.27Å; D326-D328 PolarHBondContact O-N 3.3Å; D326-G329 CarbonylContact C-O 3.38Å; D326-G329 VanDerWaalsContact CA-O 3.29Å; D326-G329 WeakPolarHBondContact CA-O 3.46Å; D326-L330 HydrophobicContact CB-CD2 3.64Å
327V95.4Very high97Very high101 Ų10166.1 Ų66.161%0.61235%0.354SS*.SBendtrans-62.6-36.1-177.4176.40000112.3F185 N325F185-V327 HydrophobicContact CB-CG2 3.76Å; F185-V327 HydrophobicContact CD2-CG2 4.38Å; N325-V327 WeakPolarHBondContact OD1-CB 3.48Å; N325-V327 VanDerWaalsContact OD1-CG2 3.32Å; N325-V327 WeakPolarHBondContact OD1-CG2 3.45Å; N325-V327 PolarHBondContact OD1-N 3.27Å
328D94.7Very high96.9Very high153 Ų15372.6 Ų72.682%0.81838%0.381SS*.SBendtrans-134.1100.4176.8-171.24.2000109.3D326D326-D328 VanDerWaalsContact C-N 3.27Å; D326-D328 PolarHBondContact O-N 3.3Å
329G95.7Very high96.8Very high53 Ų5375.7 Ų75.755%0.54639%0.391SS..SBendtrans65-147.7-170.300000112.4D326D326-G329 CarbonylContact C-O 3.38Å; D326-G329 VanDerWaalsContact CA-O 3.29Å; D326-G329 WeakPolarHBondContact CA-O 3.46Å
330L96.8Very high96.7Very high147 Ų14774.7 Ų74.777%0.7738%0.383SS*.  trans-123.7120.6172.2-66.3175.1000108.5F324 D326F324-L330 HydrophobicContact CE2-CD2 4.12Å; F324-L330 HydrophobicContact CZ-CD2 4.17Å; D326-L330 HydrophobicContact CB-CD2 3.64Å
331Y97.8Very high96.7Very high127 Ų12783.1 Ų83.150%0.49842%0.422SS..EExtended strand (participates in β ladder)trans-126.4131.8-179.6176.8-103.3000110.9F324 N325 Y333F324-Y331 WeakPolarHBondContact CA-O 3.37Å; N325-Y331 PolarHBondContact N-O 3.32Å; N325-Y331 PolarHBondContact O-N 3.31Å; Y331-Y333 WeakPolarHBondContact OH-CB 3.48Å
332T98.4Very high96.2Very high83 Ų8387.1 Ų87.151%0.50945%0.445SS..EExtended strand (participates in β ladder)trans-128.9143.4167.356.10000110.6V323 F324V323-T332 CarbonylContact O-C 3.55Å; V323-T332 WeakPolarHBondContact O-CA 3.48Å; F324-T332 HydrophobicContact CB-CG2 4.47Å; F324-T332 HydrophobicContact CD2-CG2 3.87Å
333Y98.1Very high95.9Very high123 Ų12386.2 Ų86.248%0.48244%0.44SS..EExtended strand (participates in β ladder)trans-130.7127.2171.7-177-117.4000109.7L322 V323 Y331 F335L322-Y333 CarbonylContact C-O 3.57Å; L322-Y333 WeakPolarHBondContact CA-O 3.41Å; V323-Y333 PolarHBondContact N-O 2.93Å; V323-Y333 PolarHBondContact O-N 2.73Å; Y331-Y333 WeakPolarHBondContact OH-CB 3.48Å; Y333-F335 HydrophobicContact CD1-CB 4.45Å; Y333-F335 AromaticContact CD1-CD1 3.51Å; Y333-F335 HydrophobicContact CD1-CD1 3.51Å; Y333-F335 HydrophobicContact CD1-CE1 4.17Å; Y333-F335 HydrophobicContact CD1-CG 4.32Å; Y333-F335 HydrophobicContact CE1-CB 3.73Å; Y333-F335 AromaticContact CE1-CD1 3.42Å; Y333-F335 HydrophobicContact CE1-CD1 3.42Å; Y333-F335 VanDerWaalsContact CE1-CD1 3.42Å; Y333-F335 HydrophobicContact CE1-CE1 4.27Å; Y333-F335 AromaticContact CE1-CG 3.79Å; Y333-F335 HydrophobicContact CE1-CG 3.79Å
334T98.4Very high95.4Very high71 Ų7184.7 Ų84.744%0.43643%0.432SS..EExtended strand (participates in β ladder)trans-114.9131178.4-59.90000108.7L318 Y321L318-T334 HydrophobicContact CD1-CG2 3.44Å; L318-T334 VanDerWaalsContact CD1-CG2 3.44Å; Y321-T334 WeakPolarHBondContact O-CA 3.29Å
335F97.3Very high95Very high56 Ų5684.7 Ų84.725%0.24643%0.434CS..EExtended strand (participates in β ladder)trans-150.5156.8178.367.2-81.5000110.3L206 N319 N320 Y321 V323 Y333 A337L206-F335 HydrophobicContact CD1-CZ 4.37Å; N319-F335 VanDerWaalsContact O-O 3.05Å; N320-F335 PolarHBondContact OD1-O 3.48Å; N320-F335 VanDerWaalsContact OD1-O 3.06Å; Y321-F335 WeakPolarHBondContact CB-O 3.36Å; Y321-F335 AromaticContact CD1-CE1 3.6Å; Y321-F335 HydrophobicContact CD1-CE1 3.6Å; Y321-F335 AromaticContact CD1-CZ 3.74Å; Y321-F335 HydrophobicContact CD1-CZ 3.74Å; Y321-F335 HydrophobicContact CD2-CZ 4.38Å; Y321-F335 HydrophobicContact CE1-CE1 4.41Å; Y321-F335 HydrophobicContact CE1-CZ 4.41Å; Y321-F335 AromaticContact CG-CE1 3.94Å; Y321-F335 HydrophobicContact CG-CE1 3.94Å; Y321-F335 HydrophobicContact CG-CE2 4.42Å; Y321-F335 AromaticContact CG-CZ 3.73Å; Y321-F335 HydrophobicContact CG-CZ 3.73Å; Y321-F335 PolarHBondContact N-O 2.97Å; Y321-F335 PolarHBondContact O-N 3.13Å; V323-F335 HydrophobicContact CG2-CE1 4.32Å; Y333-F335 HydrophobicContact CD1-CB 4.45Å; Y333-F335 AromaticContact CD1-CD1 3.51Å; Y333-F335 HydrophobicContact CD1-CD1 3.51Å; Y333-F335 HydrophobicContact CD1-CE1 4.17Å; Y333-F335 HydrophobicContact CD1-CG 4.32Å; Y333-F335 HydrophobicContact CE1-CB 3.73Å; Y333-F335 AromaticContact CE1-CD1 3.42Å; Y333-F335 HydrophobicContact CE1-CD1 3.42Å; Y333-F335 VanDerWaalsContact CE1-CD1 3.42Å; Y333-F335 HydrophobicContact CE1-CE1 4.27Å; Y333-F335 AromaticContact CE1-CG 3.79Å; Y333-F335 HydrophobicContact CE1-CG 3.79Å; F335-A337 HydrophobicContact CD2-CB 4.45Å; F335-A337 HydrophobicContact CE2-CB 3.92Å
336E97.9Very high94.6Very high126 Ų12682.6 Ų82.659%0.58942%0.422SS*.  trans-89.4102.2172-174.8178.6171.600109.2N319 N320N319-E336 PolarHBondContact ND2-OE2 3.47Å; N319-E336 WeakPolarHBondContact OD1-CG 3.38Å; N320-E336 WeakPolarHBondContact ND2-CA 3.42Å; N320-E336 WeakPolarHBondContact ND2-CG 3.45Å; N320-E336 WeakPolarHBondContact OD1-CA 3.26Å
337A96.3Very high94.2Very high11 Ų1181.5 Ų81.59%0.09142%0.418CS..PPolyproline II helixtrans-61128.9166.100000111.3A198 T203 N320 F335A198-A337 HydrophobicContact CB-CB 4.09Å; A198-A337 WeakPolarHBondContact CB-O 3.18Å; T203-A337 HydrophobicContact CG2-CB 3.84Å; N320-A337 PolarHBondContact ND2-N 2.77Å; N320-A337 PolarHBondContact ND2-O 3.05Å; N320-A337 WeakPolarHBondContact OD1-CB 3.04Å; N320-A337 PolarHBondContact OD1-N 2.96Å; F335-A337 HydrophobicContact CD2-CB 4.45Å; F335-A337 HydrophobicContact CE2-CB 3.92Å
338E96.5Very high93.4Very high173 Ų17382.4 Ų82.481%0.80842%0.415SS*.PPolyproline II helixtrans-73.4139.9179.7-65.1-176173.900111.7K340E338-K340 PolarHBondContact O-N 3.39Å
339R96.1Very high92.5Very high91 Ų9181.3 Ų81.334%0.34341%0.409SS..PPolyproline II helixtrans-75.6117.2171.4-178.9-177.1171.3-161.63108.8G195 E341 C346G195-R339 VanDerWaalsContact O-CZ 3.28Å; G195-R339 PolarHBondContact O-NH1 2.99Å; G195-R339 PolarHBondContact O-NH2 3.48Å; R339-E341 PolarHBondContact O-N 3.27Å; R339-C346 PolarHBondContact NH2-O 2.77Å
340K93.6Very high91.6Very high57 Ų5781 Ų8125%0.24840%0.397CS..PPolyproline II helixtrans-61.8122.9173.3-66.9-176175.4176.40109.9C202 E205 E338 N342 C343C202-K340 HydrophobicContact CB-CG 4.42Å; C202-K340 WeakPolarHBondContact O-CE 3.17Å; C202-K340 PolarHBondContact SG-N 3.42Å; E205-K340 IonicContact OE1-NZ 3.12Å; E205-K340 PolarHBondContact OE1-NZ 2.93Å; E205-K340 IonicContact OE2-NZ 3.21Å; E205-K340 PolarHBondContact OE2-NZ 3.17Å; E338-K340 PolarHBondContact O-N 3.39Å; K340-N342 VanDerWaalsContact C-N 3.27Å; K340-N342 PolarHBondContact O-N 3.04Å; K340-C343 HydrophobicContact CB-CB 4.02Å; K340-C343 WeakPolarHBondContact O-CB 3.37Å; K340-C343 PolarHBondContact O-N 3.39Å
341E89.3Confident91Very high183 Ų18375.1 Ų75.186%0.85537%0.366SS*.THydrogen-bonded Turntrans-62.2-37.3179.2-65.3-173.7166.400112R339 C343 S347R339-E341 PolarHBondContact O-N 3.27Å; E341-C343 VanDerWaalsContact C-N 3.32Å; E341-S347 WeakPolarHBondContact O-CB 3.27Å
342N89.2Confident90.6Very high104 Ų10473.3 Ų73.356%0.55637%0.365SS*.THydrogen-bonded Turntrans-94.630.5173.966.8-15.8000112.1K340 Q351K340-N342 VanDerWaalsContact C-N 3.27Å; K340-N342 PolarHBondContact O-N 3.04Å; N342-Q351 VanDerWaalsContact C-NE2 3.28Å; N342-Q351 VanDerWaalsContact O-CD 3.29Å; N342-Q351 PolarHBondContact O-NE2 2.77Å; N342-Q351 PolarHBondContact O-OE1 3.47Å
343C91.6Very high90.1Very high0 Ų069.6 Ų69.60%034%0.342CS..  trans-63.7125176.9179.20000110.7C199 K340 E341 A345 C346 S347C199-C343 PolarHBondContact SG-SG 2.88Å; K340-C343 HydrophobicContact CB-CB 4.02Å; K340-C343 WeakPolarHBondContact O-CB 3.37Å; K340-C343 PolarHBondContact O-N 3.39Å; E341-C343 VanDerWaalsContact C-N 3.32Å; C343-A345 PolarHBondContact O-N 3.49Å; C343-C346 WeakPolarHBondContact CB-SG 3.44Å; C343-C346 PolarHBondContact O-N 2.89Å; C343-S347 WeakPolarHBondContact O-CB 3.38Å; C343-S347 PolarHBondContact O-N 2.88Å; C343-S347 PolarHBondContact O-OG 3.48Å
344P87.4Confident89.8Confident20 Ų2071 Ų7113%0.1335%0.353CS..THydrogen-bonded Turntrans-75.7-7.5-168.941.2-46.5000112.5Q351 L374 M434P344-Q351 HydrophobicContact CB-CG 3.83Å; P344-L374 HydrophobicContact CB-CD2 3.74Å; P344-L374 HydrophobicContact CG-CD2 3.78Å; P344-M434 HydrophobicContact CB-CE 3.27Å; P344-M434 HydrophobicContact CG-CE 3.78Å; P344-M434 WeakPolarHBondContact O-CE 3.35Å
345A89.7Confident89.5Confident11 Ų1168.6 Ų68.69%0.09134%0.337CS..THydrogen-bonded Turntrans-105.2-43.3174.300000114E201 C343E201-A345 HydrophobicContact CB-CB 3.92Å; E201-A345 HydrophobicContact CG-CB 3.74Å; C343-A345 PolarHBondContact O-N 3.49Å
346C90.8Very high89.2Confident2 Ų268 Ų681%0.01434%0.34CS..THydrogen-bonded Turntrans-106-1.3-175.275.50000114.6M159 C199 R339 C343M159-C346 HydrophobicContact CE-CB 4.19Å; M159-C346 HydrophobicContact CG-CB 4.45Å; M159-C346 HydrophobicContact SD-CB 3.56Å; M159-C346 VanDerWaalsContact SD-CB 3.56Å; C199-C346 HydrophobicContact CB-CB 4.23Å; C199-C346 VanDerWaalsContact SG-SG 3.68Å; R339-C346 PolarHBondContact NH2-O 2.77Å; C343-C346 WeakPolarHBondContact CB-SG 3.44Å; C343-C346 PolarHBondContact O-N 2.89Å
347S86.5Confident88.8Confident19 Ų1963.9 Ų63.913%0.13332%0.324CS..  trans-81.8139170.278.80000110.1E341 C343 L349 Q351E341-S347 WeakPolarHBondContact O-CB 3.27Å; C343-S347 WeakPolarHBondContact O-CB 3.38Å; C343-S347 PolarHBondContact O-N 2.88Å; C343-S347 PolarHBondContact O-OG 3.48Å; S347-L349 PolarHBondContact O-N 3.5Å; S347-L349 PolarHBondContact OG-O 2.9Å; S347-L349 VanDerWaalsContact OG-O 3.13Å; S347-Q351 PolarHBondContact OG-NE2 3.13Å
348Q78.6Confident88.6Confident120 Ų12067.1 Ų67.156%0.56135%0.346SS*.SBendtrans-78.2-4.4173.9-63.9-58.7-51.900113Y164Y164-Q348 HydrophobicContact CD1-CG 4.48Å; Y164-Q348 HydrophobicContact CE1-CG 4.08Å; Y164-Q348 HydrophobicContact CE2-CG 4.14Å; Y164-Q348 VanDerWaalsContact CZ-NE2 3.33Å; Y164-Q348 PolarHBondContact OH-NE2 2.79Å
349L75.7Confident88.5Confident131 Ų13159.1 Ų59.169%0.68631%0.309SS*.SBendtrans-98.3136.8-176.5-60.9178.6000110.7S347S347-L349 PolarHBondContact O-N 3.5Å; S347-L349 PolarHBondContact OG-O 2.9Å; S347-L349 VanDerWaalsContact OG-O 3.13Å
350P78.1Confident88.5Confident45 Ų4559.5 Ų59.529%0.29231%0.313SS..PPolyproline II helixtrans-56.1143.9168.3-24.133.8000111.4L435 K437P350-L435 WeakPolarHBondContact CA-O 3.46Å; P350-L435 HydrophobicContact CB-CB 4.19Å; P350-L435 HydrophobicContact CG-CB 4.38Å; P350-K437 HydrophobicContact CB-CB 4.36Å
351Q84.6Confident88.6Confident24 Ų2456.8 Ų56.811%0.11230%0.301CS..EExtended strand (participates in β ladder)trans-80.4133.2177.8-67.5-64.7-51.300110.7N342 P344 S347 L435 F436 K437N342-Q351 VanDerWaalsContact C-NE2 3.28Å; N342-Q351 VanDerWaalsContact O-CD 3.29Å; N342-Q351 PolarHBondContact O-NE2 2.77Å; N342-Q351 PolarHBondContact O-OE1 3.47Å; P344-Q351 HydrophobicContact CB-CG 3.83Å; S347-Q351 PolarHBondContact OG-NE2 3.13Å; Q351-L435 PolarHBondContact N-O 3.42Å; Q351-F436 HydrophobicContact CB-CD1 3.43Å; Q351-F436 VanDerWaalsContact CB-CD1 3.43Å; Q351-F436 HydrophobicContact CB-CE1 3.58Å; Q351-F436 HydrophobicContact CB-CG 4.23Å; Q351-F436 HydrophobicContact CB-CZ 4.47Å; Q351-F436 HydrophobicContact CG-CD1 4.38Å; Q351-F436 HydrophobicContact CG-CE1 4.11Å; Q351-F436 CarbonylContact O-C 3.57Å; Q351-F436 WeakPolarHBondContact O-CA 3.48Å; Q351-K437 PolarHBondContact O-N 3.45Å
352N87.9Confident88.9Confident90 Ų9051 Ų5148%0.48128%0.275SS..EExtended strand (participates in β ladder)trans-82.3131.8178.8-68.1-26.2000111.1K437 H439N352-K437 WeakPolarHBondContact CA-O 3.38Å; N352-H439 PolarHBondContact OD1-NE2 2.69Å
353I89.6Confident89.1Confident4 Ų450.5 Ų50.52%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-111.1110.4170-60.6-180000108.2I355 I364 Y367 F436 K437 L438 H439I353-I355 HydrophobicContact CG2-CB 4.21Å; I353-I355 HydrophobicContact CG2-CG2 4.15Å; I353-I364 HydrophobicContact CD1-CG2 4.34Å; I353-Y367 HydrophobicContact CD1-CD1 4.45Å; I353-Y367 HydrophobicContact CD1-CE1 4.32Å; I353-Y367 HydrophobicContact CG1-CE1 4.09Å; I353-F436 HydrophobicContact CD1-CB 3.65Å; I353-F436 HydrophobicContact CD1-CD1 3.57Å; I353-F436 HydrophobicContact CD1-CE1 4.44Å; I353-F436 HydrophobicContact CD1-CG 3.78Å; I353-F436 HydrophobicContact CG1-CB 4.03Å; I353-F436 HydrophobicContact CG1-CD1 3.65Å; I353-F436 HydrophobicContact CG1-CG 4.22Å; I353-K437 PolarHBondContact N-O 2.95Å; I353-L438 HydrophobicContact CB-CD2 4.42Å; I353-L438 HydrophobicContact CG2-CD2 4.38Å; I353-H439 PolarHBondContact O-N 3.38Å
354E91.3Very high89.2Confident154 Ų15450.5 Ų50.572%0.7227%0.269SS*.EExtended strand (participates in β ladder)trans-86.8116.3171.6-68.8-178.5-173.200109.8H439 T441E354-H439 WeakPolarHBondContact CA-O 3.46Å; E354-H439 HydrophobicContact CG-CB 4.29Å; E354-T441 HydrophobicContact CB-CG2 3.84Å; E354-T441 HydrophobicContact CG-CG2 4.44Å
355I92Very high89.5Confident20 Ų2049.9 Ų49.910%0.10326%0.264CS..EExtended strand (participates in β ladder)trans-152.9148.3-176.3-166164.9000111.6I353 A359 E363 I364 L412 L438 H439 F440 T441I353-I355 HydrophobicContact CG2-CB 4.21Å; I353-I355 HydrophobicContact CG2-CG2 4.15Å; I355-A359 HydrophobicContact CD1-CB 3.59Å; I355-A359 HydrophobicContact CG1-CB 3.45Å; I355-A359 VanDerWaalsContact CG1-CB 3.45Å; I355-E363 HydrophobicContact CD1-CB 4.21Å; I355-I364 HydrophobicContact CD1-CD1 4.41Å; I355-I364 HydrophobicContact CD1-CG1 3.57Å; I355-L412 HydrophobicContact CD1-CD1 4.24Å; I355-L412 HydrophobicContact CG1-CD1 4.34Å; I355-L412 HydrophobicContact CG2-CD1 3.5Å; I355-L412 VanDerWaalsContact CG2-CD1 3.5Å; I355-L438 HydrophobicContact CG2-CD2 3.8Å; I355-H439 PolarHBondContact N-O 3.19Å; I355-F440 HydrophobicContact CG2-CD1 4.31Å; I355-F440 HydrophobicContact CG2-CE1 4.39Å; I355-F440 VanDerWaalsContact O-CA 3.3Å; I355-F440 WeakPolarHBondContact O-CA 3.37Å; I355-T441 PolarHBondContact O-N 3.03Å
356S91.3Very high89.7Confident43 Ų4352.5 Ų52.530%0.30128%0.277SS..  trans-67.1142.2176.6-173.20000111.3S358 A359 T441S356-S358 PolarHBondContact O-N 3.39Å; S356-S358 VanDerWaalsContact O-N 3.14Å; S356-S358 PolarHBondContact OG-OG 3Å; S356-S358 VanDerWaalsContact OG-OG 3.04Å; S356-A359 WeakPolarHBondContact O-CB 3.19Å; S356-A359 PolarHBondContact O-N 3.36Å; S356-T441 PolarHBondContact N-OG1 3.18Å
357P88.8Confident89.8Confident39 Ų3956.4 Ų56.425%0.25329%0.292SS..THydrogen-bonded Turntrans-63.5-19.7176.525.2-35000113.6K413 F440 T441P357-K413 PolarHBondContact O-N 3.31Å; P357-F440 HydrophobicContact CB-CB 4.48Å; P357-F440 HydrophobicContact CB-CD1 4.36Å; P357-F440 HydrophobicContact CB-CD2 3.82Å; P357-F440 HydrophobicContact CB-CE2 4.08Å; P357-F440 HydrophobicContact CB-CG 3.98Å; P357-F440 HydrophobicContact CB-CZ 4.47Å; P357-T441 WeakPolarHBondContact CD-O 3.34Å
358S92.1Very high90.2Very high80 Ų8055.5 Ų55.556%0.55929%0.286SS*.THydrogen-bonded Turntrans-87.7-5.3175.158.90000113.5S356 T411S356-S358 PolarHBondContact O-N 3.39Å; S356-S358 VanDerWaalsContact O-N 3.14Å; S356-S358 PolarHBondContact OG-OG 3Å; S356-S358 VanDerWaalsContact OG-OG 3.04Å; S358-T411 VanDerWaalsContact O-CG2 3.25Å; S358-T411 WeakPolarHBondContact O-CG2 3.44Å
359A93.6Very high90.8Very high4 Ų452.2 Ų52.23%0.03327%0.274CS..  trans-63.2153.1175.700000110.9I355 S356 E363 T411 L412I355-A359 HydrophobicContact CD1-CB 3.59Å; I355-A359 HydrophobicContact CG1-CB 3.45Å; I355-A359 VanDerWaalsContact CG1-CB 3.45Å; S356-A359 WeakPolarHBondContact O-CB 3.19Å; S356-A359 PolarHBondContact O-N 3.36Å; A359-E363 WeakPolarHBondContact CA-OE1 2.94Å; A359-T411 CarbonylContact O-C 3.59Å; A359-T411 WeakPolarHBondContact O-CA 3.25Å; A359-L412 HydrophobicContact CB-CD1 4.48Å; A359-L412 WeakPolarHBondContact O-CG 3.37Å; A359-L412 PolarHBondContact O-N 3Å
360K96.4Very high91.4Very high99 Ų9951.8 Ų51.843%0.4327%0.272SS..BIsolated β-bridgetrans-85.6155.6176.1-67.6177.5179.7175.40111.4Q362 E363 K410K360-Q362 HydrophobicContact CB-CB 4.42Å; K360-Q362 PolarHBondContact O-N 3.28Å; K360-E363 HydrophobicContact CB-CG 4.48Å; K360-E363 PolarHBondContact N-OE1 3.49Å; K360-E363 WeakPolarHBondContact O-CB 2.97Å; K360-E363 PolarHBondContact O-N 3.37Å; K360-K410 WeakPolarHBondContact CA-O 3.38Å
361L95.3Very high91.9Very high0 Ų051.7 Ų51.70%027%0.269CS..Hα-helixtrans-58.6-30.7172-178.266000112.2E363 I364 L365 I381 L392 N407 L408 K410 L415L361-E363 PolarHBondContact O-N 3.39Å; L361-I364 PolarHBondContact O-N 3.32Å; L361-L365 PolarHBondContact O-N 3.07Å; L361-I381 HydrophobicContact CD1-CD1 4Å; L361-L392 HydrophobicContact CD1-CB 4.35Å; L361-L392 HydrophobicContact CD1-CD1 4.3Å; L361-L392 HydrophobicContact CD2-CB 3.85Å; L361-N407 HydrophobicContact CD2-CB 3.97Å; L361-L408 HydrophobicContact CD2-CD2 4.34Å; L361-L408 HydrophobicContact CG-CD2 4.33Å; L361-K410 PolarHBondContact N-O 3.04Å; L361-K410 VanDerWaalsContact N-O 3.1Å; L361-L415 HydrophobicContact CB-CD1 3.71Å; L361-L415 HydrophobicContact CD1-CD1 4.39Å; L361-L415 HydrophobicContact CD2-CD1 3.94Å; L361-L415 HydrophobicContact CG-CD1 4.23Å
362Q95.6Very high91.9Very high63 Ų6353.1 Ų53.129%0.29429%0.285SS..Hα-helixtrans-55.3-36.8172.2-17464.75400112.6K360 I364 L365 D366 L408K360-Q362 HydrophobicContact CB-CB 4.42Å; K360-Q362 PolarHBondContact O-N 3.28Å; Q362-I364 PolarHBondContact O-N 2.85Å; Q362-L365 WeakPolarHBondContact O-CB 3.37Å; Q362-L365 PolarHBondContact O-N 3.08Å; Q362-D366 PolarHBondContact NE2-OD1 3.16Å; Q362-D366 WeakPolarHBondContact O-CB 3.47Å; Q362-D366 PolarHBondContact O-N 2.61Å; Q362-L408 HydrophobicContact CB-CB 4.43Å; Q362-L408 WeakPolarHBondContact CB-O 3.47Å; Q362-L408 PolarHBondContact N-O 3.08Å
363E94.2Very high91.7Very high92 Ų9250.6 Ų50.643%0.4328%0.275SS..Hα-helixtrans-69.5-35-178.7-64.2170.9-122.300111.6I355 A359 K360 L361 Y367I355-E363 HydrophobicContact CD1-CB 4.21Å; A359-E363 WeakPolarHBondContact CA-OE1 2.94Å; K360-E363 HydrophobicContact CB-CG 4.48Å; K360-E363 PolarHBondContact N-OE1 3.49Å; K360-E363 WeakPolarHBondContact O-CB 2.97Å; K360-E363 PolarHBondContact O-N 3.37Å; L361-E363 PolarHBondContact O-N 3.39Å; E363-Y367 WeakPolarHBondContact O-CB 3.49Å; E363-Y367 PolarHBondContact O-N 2.71Å
364I93.7Very high91.7Very high0 Ų050.5 Ų50.50%027%0.274CS..Hα-helixtrans-64.8-45170.4-62.1-177000110I353 I355 L361 Q362 D366 Y367 L368 I381 L412 L423 L438I353-I364 HydrophobicContact CD1-CG2 4.34Å; I355-I364 HydrophobicContact CD1-CD1 4.41Å; I355-I364 HydrophobicContact CD1-CG1 3.57Å; L361-I364 PolarHBondContact O-N 3.32Å; Q362-I364 PolarHBondContact O-N 2.85Å; I364-D366 VanDerWaalsContact C-N 3.31Å; I364-D366 PolarHBondContact O-N 2.84Å; I364-Y367 WeakPolarHBondContact O-CB 3.37Å; I364-Y367 PolarHBondContact O-N 3Å; I364-L368 HydrophobicContact CG2-CD1 4.03Å; I364-L368 HydrophobicContact CG2-CG 4.3Å; I364-L368 VanDerWaalsContact O-CG 3.3Å; I364-L368 WeakPolarHBondContact O-CG 3.48Å; I364-L368 PolarHBondContact O-N 3.22Å; I364-I381 HydrophobicContact CG2-CD1 3.95Å; I364-L412 HydrophobicContact CD1-CD1 3.91Å; I364-L412 HydrophobicContact CD1-CD2 3.43Å; I364-L412 VanDerWaalsContact CD1-CD2 3.43Å; I364-L412 HydrophobicContact CD1-CG 4.33Å; I364-L412 HydrophobicContact CG1-CD2 4.19Å; I364-L423 HydrophobicContact CD1-CD1 4.07Å; I364-L423 HydrophobicContact CG2-CD1 4.45Å; I364-L438 HydrophobicContact CD1-CD2 3.94Å
365L94.4Very high91.5Very high7 Ų747.3 Ų47.34%0.03726%0.259CS..Hα-helixtrans-60-43.6179-172.171.7000111.6L361 Q362 L368 T369 P379 I381 Y393 L408L361-L365 PolarHBondContact O-N 3.07Å; Q362-L365 WeakPolarHBondContact O-CB 3.37Å; Q362-L365 PolarHBondContact O-N 3.08Å; L365-L368 PolarHBondContact O-N 2.89Å; L365-T369 WeakPolarHBondContact O-CB 3.44Å; L365-T369 PolarHBondContact O-N 3.25Å; L365-T369 VanDerWaalsContact O-N 3.08Å; L365-T369 PolarHBondContact O-OG1 2.97Å; L365-P379 HydrophobicContact CD1-CG 3.73Å; L365-I381 HydrophobicContact CD1-CD1 4.27Å; L365-Y393 HydrophobicContact CD1-CD1 3.87Å; L365-Y393 HydrophobicContact CD1-CE1 4.04Å; L365-Y393 HydrophobicContact CD2-CD1 3.9Å; L365-Y393 HydrophobicContact CD2-CE1 3.49Å; L365-Y393 VanDerWaalsContact CD2-CE1 3.49Å; L365-Y393 HydrophobicContact CG-CE1 4.45Å; L365-L408 HydrophobicContact CD2-CD2 3.91Å
366D93.6Very high91.5Very high67 Ų6746.5 Ų46.536%0.35826%0.255SS..Hα-helixtrans-65.6-39.2177.3-65.8-18.5000111.1Q362 I364 T369 N370Q362-D366 PolarHBondContact NE2-OD1 3.16Å; Q362-D366 WeakPolarHBondContact O-CB 3.47Å; Q362-D366 PolarHBondContact O-N 2.61Å; I364-D366 VanDerWaalsContact C-N 3.31Å; I364-D366 PolarHBondContact O-N 2.84Å; D366-T369 PolarHBondContact O-N 3.07Å; D366-N370 WeakPolarHBondContact O-CB 3.15Å; D366-N370 PolarHBondContact O-N 2.8Å; D366-N370 PolarHBondContact O-ND2 2.63Å
367Y93.1Very high91.3Very high83 Ų8351 Ų5133%0.32527%0.269SS..Hα-helixtrans-60.6-51.1173.4170.1-94.8000111.6I353 E363 I364 T369 N370 N371 L374I353-Y367 HydrophobicContact CD1-CD1 4.45Å; I353-Y367 HydrophobicContact CD1-CE1 4.32Å; I353-Y367 HydrophobicContact CG1-CE1 4.09Å; E363-Y367 WeakPolarHBondContact O-CB 3.49Å; E363-Y367 PolarHBondContact O-N 2.71Å; I364-Y367 WeakPolarHBondContact O-CB 3.37Å; I364-Y367 PolarHBondContact O-N 3Å; Y367-T369 PolarHBondContact O-N 2.92Å; Y367-N370 PolarHBondContact O-N 3.16Å; Y367-N371 HydrophobicContact CD2-CB 4.38Å; Y367-N371 HydrophobicContact CE2-CB 4.33Å; Y367-N371 WeakPolarHBondContact CE2-ND2 3.3Å; Y367-N371 WeakPolarHBondContact O-CB 3.29Å; Y367-N371 PolarHBondContact O-N 2.88Å; Y367-N371 PolarHBondContact OH-ND2 3.42Å; Y367-L374 HydrophobicContact CD1-CD1 4.21Å; Y367-L374 HydrophobicContact CE1-CD1 3.64Å
368L93.4Very high91.4Very high0 Ų050.2 Ų50.20%027%0.265CS..Hα-helixtrans-60.4-34.4-179.5-66.7172.8000112.4I364 L365 L374 M376 P379 I381 V425 F436I364-L368 HydrophobicContact CG2-CD1 4.03Å; I364-L368 HydrophobicContact CG2-CG 4.3Å; I364-L368 VanDerWaalsContact O-CG 3.3Å; I364-L368 WeakPolarHBondContact O-CG 3.48Å; I364-L368 PolarHBondContact O-N 3.22Å; L365-L368 PolarHBondContact O-N 2.89Å; L368-L374 HydrophobicContact CD2-CD1 3.8Å; L368-M376 HydrophobicContact CB-SD 3.93Å; L368-M376 HydrophobicContact CD1-SD 4.5Å; L368-M376 HydrophobicContact CD2-CE 4.39Å; L368-M376 HydrophobicContact CD2-SD 4.08Å; L368-M376 HydrophobicContact CG-SD 4.38Å; L368-M376 WeakPolarHBondContact O-CB 3.43Å; L368-M376 PolarHBondContact O-N 3.27Å; L368-M376 VanDerWaalsContact O-N 3.09Å; L368-P379 HydrophobicContact CB-CB 4.48Å; L368-P379 HydrophobicContact CB-CG 4.01Å; L368-P379 HydrophobicContact CD1-CB 4.23Å; L368-P379 HydrophobicContact CD1-CG 4.35Å; L368-I381 HydrophobicContact CD1-CD1 3.92Å; L368-I381 HydrophobicContact CD1-CG1 4.03Å; L368-V425 HydrophobicContact CD1-CG1 3.97Å; L368-V425 HydrophobicContact CD1-CG2 4.06Å; L368-F436 HydrophobicContact CD2-CD1 4.42Å; L368-F436 HydrophobicContact CD2-CE1 3.89Å; L368-F436 HydrophobicContact CD2-CE2 3.99Å; L368-F436 HydrophobicContact CD2-CZ 3.65Å
369T91.6Very high91.5Very high51 Ų5146.4 Ų46.431%0.31324%0.238SC..Hα-helixtrans-82.6-43.5-177.2-520000112.4L365 D366 Y367L365-T369 WeakPolarHBondContact O-CB 3.44Å; L365-T369 PolarHBondContact O-N 3.25Å; L365-T369 VanDerWaalsContact O-N 3.08Å; L365-T369 PolarHBondContact O-OG1 2.97Å; D366-T369 PolarHBondContact O-N 3.07Å; Y367-T369 PolarHBondContact O-N 2.92Å
370N89.6Confident91.5Very high122 Ų12246.6 Ų46.665%0.65224%0.24SC*.Hα-helixtrans-96.9-16.3-170-60.2-48000113.8D366 Y367 A372D366-N370 WeakPolarHBondContact O-CB 3.15Å; D366-N370 PolarHBondContact O-N 2.8Å; D366-N370 PolarHBondContact O-ND2 2.63Å; Y367-N370 PolarHBondContact O-N 3.16Å; N370-A372 PolarHBondContact O-N 3.02Å
371N88.3Confident91.5Very high44 Ų4441.9 Ų41.924%0.23522%0.219CC..  trans-65.1126.6178.5-174.2-48.9000110.3Y367 S373 L374 Q375Y367-N371 HydrophobicContact CD2-CB 4.38Å; Y367-N371 HydrophobicContact CE2-CB 4.33Å; Y367-N371 WeakPolarHBondContact CE2-ND2 3.3Å; Y367-N371 WeakPolarHBondContact O-CB 3.29Å; Y367-N371 PolarHBondContact O-N 2.88Å; Y367-N371 PolarHBondContact OH-ND2 3.42Å; N371-S373 PolarHBondContact O-N 3.35Å; N371-S373 VanDerWaalsContact O-N 3.14Å; N371-S373 WeakPolarHBondContact OD1-CB 3.36Å; N371-S373 PolarHBondContact OD1-N 3.22Å; N371-S373 PolarHBondContact OD1-OG 3.35Å; N371-L374 HydrophobicContact CB-CB 4.41Å; N371-L374 HydrophobicContact CB-CD1 4.34Å; N371-L374 HydrophobicContact CB-CG 4.38Å; N371-L374 PolarHBondContact O-N 3.18Å; N371-Q375 WeakPolarHBondContact O-CG 2.91Å; N371-Q375 PolarHBondContact O-N 3.03Å
372A84.6Confident91.5Very high54 Ų5443.7 Ų43.745%0.44623%0.23SC..THydrogen-bonded Turntrans-59.2-26.8-17700000113.9N370 Q375N370-A372 PolarHBondContact O-N 3.02Å; A372-Q375 WeakPolarHBondContact O-CG 3.48Å; A372-Q375 PolarHBondContact O-NE2 2.88Å
373S84.3Confident91.3Very high37 Ų3740.8 Ų40.826%0.25922%0.217SC..THydrogen-bonded Turntrans-82.1-18.2178.3680000114N371N371-S373 PolarHBondContact O-N 3.35Å; N371-S373 VanDerWaalsContact O-N 3.14Å; N371-S373 WeakPolarHBondContact OD1-CB 3.36Å; N371-S373 PolarHBondContact OD1-N 3.22Å; N371-S373 PolarHBondContact OD1-OG 3.35Å
374L87.5Confident91.1Very high2 Ų240.6 Ų40.61%0.0122%0.222CC..THydrogen-bonded Turntrans-111.4-52-175.2-59.7178.9000112.4R152 P344 Y367 L368 N371 M376 M434 F436R152-L374 PolarHBondContact NH1-O 3.04Å; R152-L374 PolarHBondContact NH2-O 3.15Å; P344-L374 HydrophobicContact CB-CD2 3.74Å; P344-L374 HydrophobicContact CG-CD2 3.78Å; Y367-L374 HydrophobicContact CD1-CD1 4.21Å; Y367-L374 HydrophobicContact CE1-CD1 3.64Å; L368-L374 HydrophobicContact CD2-CD1 3.8Å; N371-L374 HydrophobicContact CB-CB 4.41Å; N371-L374 HydrophobicContact CB-CD1 4.34Å; N371-L374 HydrophobicContact CB-CG 4.38Å; N371-L374 PolarHBondContact O-N 3.18Å; L374-M376 HydrophobicContact CB-CG 4.43Å; L374-M376 PolarHBondContact O-N 3.14Å; L374-M376 VanDerWaalsContact O-N 3.11Å; L374-M434 HydrophobicContact CD2-CE 4.47Å; L374-F436 HydrophobicContact CD1-CE1 3.93Å; L374-F436 HydrophobicContact CD1-CZ 4.09Å; L374-F436 HydrophobicContact CD2-CE1 4.26Å; L374-F436 HydrophobicContact CD2-CZ 4.1Å
375Q87.6Confident90.6Very high87 Ų8741.4 Ų41.441%0.40723%0.226SC..  trans40.449-179.7-54.3-177.426.700113.1R152 L204 N371 A372R152-Q375 PolarHBondContact NH1-O 2.68Å; L204-Q375 HydrophobicContact CD2-CB 4.24Å; L204-Q375 HydrophobicContact CD2-CG 4.34Å; N371-Q375 WeakPolarHBondContact O-CG 2.91Å; N371-Q375 PolarHBondContact O-N 3.03Å; A372-Q375 WeakPolarHBondContact O-CG 3.48Å; A372-Q375 PolarHBondContact O-NE2 2.88Å
376M91.6Very high89.7Confident3 Ų351.2 Ų51.22%0.01526%0.264CS..  trans-68.7150.4179.9-67-177.717400110.6L368 L374 P379 V425 D427 M434 F436L368-M376 HydrophobicContact CB-SD 3.93Å; L368-M376 HydrophobicContact CD1-SD 4.5Å; L368-M376 HydrophobicContact CD2-CE 4.39Å; L368-M376 HydrophobicContact CD2-SD 4.08Å; L368-M376 HydrophobicContact CG-SD 4.38Å; L368-M376 WeakPolarHBondContact O-CB 3.43Å; L368-M376 PolarHBondContact O-N 3.27Å; L368-M376 VanDerWaalsContact O-N 3.09Å; L374-M376 HydrophobicContact CB-CG 4.43Å; L374-M376 PolarHBondContact O-N 3.14Å; L374-M376 VanDerWaalsContact O-N 3.11Å; M376-P379 HydrophobicContact CB-CB 4.05Å; M376-P379 HydrophobicContact CB-CG 3.95Å; M376-P379 HydrophobicContact SD-CB 3.72Å; M376-P379 HydrophobicContact SD-CG 4.34Å; M376-V425 HydrophobicContact CE-CG1 4.05Å; M376-V425 HydrophobicContact SD-CG1 3.68Å; M376-D427 HydrophobicContact CB-CB 4.35Å; M376-D427 HydrophobicContact CG-CB 4.32Å; M376-D427 HydrophobicContact SD-CB 4.33Å; M376-M434 HydrophobicContact CE-CE 3.78Å; M376-M434 HydrophobicContact CE-SD 3.34Å; M376-M434 WeakPolarHBondContact CE-SD 3Å; M376-F436 HydrophobicContact CE-CE2 3.97Å; M376-F436 HydrophobicContact CE-CZ 3.85Å
377K88.8Confident88.9Confident136 Ų13652 Ų5259%0.59129%0.288SS*.SBendtrans-91.5-44.3-172.2-171.265.3178.3179.60113.2D427 V428 T429K377-D427 PolarHBondContact N-OD1 3.04Å; K377-D427 PolarHBondContact N-OD2 3.22Å; K377-D427 VanDerWaalsContact N-OD2 3.09Å; K377-V428 HydrophobicContact CB-CG2 3.65Å; K377-V428 HydrophobicContact CG-CG2 4.04Å; K377-T429 HydrophobicContact CB-CG2 4.07Å
378S89.2Confident88.5Confident24 Ų2449.7 Ų49.717%0.16829%0.29CS..SBendtrans-155.765.9-177.9580000109.4Q395 D427S378-Q395 VanDerWaalsContact CB-OE1 3.24Å; S378-D427 WeakPolarHBondContact CA-OD1 3.31Å; S378-D427 PolarHBondContact N-OD1 3.36Å
379P94.2Very high88.2Confident0 Ų056.3 Ų56.30%033%0.325CS..  trans-70.2137.7-169.425.3-31.7000111.9L365 L368 M376 V425 D427L365-P379 HydrophobicContact CD1-CG 3.73Å; L368-P379 HydrophobicContact CB-CB 4.48Å; L368-P379 HydrophobicContact CB-CG 4.01Å; L368-P379 HydrophobicContact CD1-CB 4.23Å; L368-P379 HydrophobicContact CD1-CG 4.35Å; M376-P379 HydrophobicContact CB-CB 4.05Å; M376-P379 HydrophobicContact CB-CG 3.95Å; M376-P379 HydrophobicContact SD-CB 3.72Å; M376-P379 HydrophobicContact SD-CG 4.34Å; P379-V425 HydrophobicContact CB-CG1 3.85Å; P379-D427 WeakPolarHBondContact CA-OD1 3.26Å; P379-D427 HydrophobicContact CB-CB 4.46Å; P379-D427 VanDerWaalsContact N-OD1 3.09Å
380A94.7Very high88.3Confident7 Ų758 Ų586%0.05833%0.328CS..EExtended strand (participates in β ladder)trans-102.6127171.800000109.7Y393 L394 V425 A426A380-Y393 CarbonylContact C-O 3.3Å; A380-Y393 WeakPolarHBondContact CA-O 3.47Å; A380-L394 HydrophobicContact CB-CB 4.09Å; A380-L394 HydrophobicContact CB-CD1 3.73Å; A380-L394 HydrophobicContact CB-CG 3.99Å; A380-V425 VanDerWaalsContact O-CA 3.27Å; A380-V425 WeakPolarHBondContact O-CA 3.36Å; A380-A426 PolarHBondContact N-O 3.05Å; A380-A426 PolarHBondContact O-N 3.36Å
381I95.9Very high88.5Confident0 Ų054.9 Ų54.90%031%0.313CS..EExtended strand (participates in β ladder)trans-110.2125.8-174-48.8172.8000108.9L361 I364 L365 L368 L392 Y393 L423 V425L361-I381 HydrophobicContact CD1-CD1 4Å; I364-I381 HydrophobicContact CG2-CD1 3.95Å; L365-I381 HydrophobicContact CD1-CD1 4.27Å; L368-I381 HydrophobicContact CD1-CD1 3.92Å; L368-I381 HydrophobicContact CD1-CG1 4.03Å; I381-L392 HydrophobicContact CB-CB 4.42Å; I381-L392 HydrophobicContact CG2-CB 4.43Å; I381-L392 HydrophobicContact CG2-CD1 3.96Å; I381-L392 WeakPolarHBondContact O-CB 3.18Å; I381-L392 PolarHBondContact O-N 3.38Å; I381-Y393 PolarHBondContact N-O 3.42Å; I381-Y393 PolarHBondContact O-N 3.26Å; I381-L423 HydrophobicContact CG2-CB 4.45Å; I381-L423 HydrophobicContact CG2-CD1 4.28Å; I381-L423 HydrophobicContact CG2-CD2 4.45Å; I381-V425 HydrophobicContact CG2-CG2 4.48Å
382T94.7Very high88.8Confident38 Ų3852.8 Ų52.823%0.23330%0.302CS..EExtended strand (participates in β ladder)trans-130.9153.3176.667.30000110.4K390 T391 A424T382-K390 WeakPolarHBondContact CA-O 3.29Å; T382-T391 HydrophobicContact CG2-CG2 4.36Å; T382-A424 PolarHBondContact N-O 3.45Å; T382-A424 PolarHBondContact O-N 3.04Å; T382-A424 VanDerWaalsContact OG1-CB 3.3Å; T382-A424 WeakPolarHBondContact OG1-CB 3.25Å; T382-A424 PolarHBondContact OG1-O 2.85Å
383A93.2Very high89.3Confident2 Ų250.7 Ų50.72%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-146.9149.2177.700000111M385 K390 L392 L417 L423A383-M385 HydrophobicContact CB-CG 4.33Å; A383-M385 PolarHBondContact O-N 3.28Å; A383-K390 PolarHBondContact N-O 3Å; A383-K390 PolarHBondContact O-N 3.02Å; A383-L392 HydrophobicContact CB-CD1 4.01Å; A383-L392 HydrophobicContact CB-CG 4.37Å; A383-L417 HydrophobicContact CB-CD2 3.96Å; A383-L423 HydrophobicContact CB-CD2 3.78Å
384T89.1Confident89.7Confident88 Ų8850.3 Ų50.354%0.5428%0.278SS..EExtended strand (participates in β ladder)trans-77.8117.2173.2-50.20000109.4N389 Q421T384-N389 PolarHBondContact OG1-OD1 2.87Å; T384-Q421 PolarHBondContact O-NE2 3.47Å
385M83.6Confident89.7Confident17 Ų1753.7 Ų53.78%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-135.1133.9-178.3-54.8-165.67600110.7A383 G387 G388 K390 L392 L415 G416A383-M385 HydrophobicContact CB-CG 4.33Å; A383-M385 PolarHBondContact O-N 3.28Å; M385-G387 PolarHBondContact O-N 2.96Å; M385-G387 VanDerWaalsContact O-N 3.12Å; M385-G388 PolarHBondContact N-O 3.45Å; M385-G388 PolarHBondContact O-N 3.35Å; M385-K390 HydrophobicContact CB-CB 4.37Å; M385-K390 HydrophobicContact CG-CB 4.25Å; M385-K390 HydrophobicContact CG-CD 4.47Å; M385-K390 HydrophobicContact SD-CB 4.34Å; M385-K390 HydrophobicContact SD-CD 3.67Å; M385-L392 HydrophobicContact SD-CD2 4.18Å; M385-L415 WeakPolarHBondContact CE-O 3.3Å; M385-G416 WeakPolarHBondContact CE-O 3.35Å
386Y75.8Confident89.7Confident213 Ų21353.8 Ų53.884%0.83530%0.3SS*.THydrogen-bonded Turntrans50.237.1175.6-51.6-74.9000114.6
387G76.8Confident89.6Confident84 Ų8456.7 Ų56.787%0.86632%0.318SS*.THydrogen-bonded Turntrans82.88.1178.800000115.7M385M385-G387 PolarHBondContact O-N 2.96Å; M385-G387 VanDerWaalsContact O-N 3.12Å
388G83.3Confident89.6Confident35 Ų3553.5 Ų53.536%0.36132%0.317SS..EExtended strand (participates in β ladder)trans-141.6161174.300000113.6M385M385-G388 PolarHBondContact N-O 3.45Å; M385-G388 PolarHBondContact O-N 3.35Å
389N89.1Confident89.8Confident138 Ų13855.2 Ų55.274%0.73833%0.329SS*.EExtended strand (participates in β ladder)trans-77.9126.5174.4-77.4-21.8000110.4T384T384-N389 PolarHBondContact OG1-OD1 2.87Å
390K91.8Very high89.6Confident88 Ų8858 Ų5838%0.38334%0.343SS..EExtended strand (participates in β ladder)trans-115.9126.9178.6-168.4-179.9-179.2-175.50110.1T382 A383 M385 L392T382-K390 WeakPolarHBondContact CA-O 3.29Å; A383-K390 PolarHBondContact N-O 3Å; A383-K390 PolarHBondContact O-N 3.02Å; M385-K390 HydrophobicContact CB-CB 4.37Å; M385-K390 HydrophobicContact CG-CB 4.25Å; M385-K390 HydrophobicContact CG-CD 4.47Å; M385-K390 HydrophobicContact SD-CB 4.34Å; M385-K390 HydrophobicContact SD-CD 3.67Å; K390-L392 PolarHBondContact O-N 3.49Å
391T94.3Very high89.6Confident55 Ų5558.5 Ų58.534%0.33734%0.344SS..EExtended strand (participates in β ladder)trans-74.5117.7170.1-50.90000109.5T382 L394 I400 T404T382-T391 HydrophobicContact CG2-CG2 4.36Å; T391-L394 HydrophobicContact CG2-CB 3.77Å; T391-I400 HydrophobicContact CG2-CG2 4.21Å; T391-T404 HydrophobicContact CG2-CG2 4.2Å
392L94.3Very high89.4Confident0 Ų065.1 Ų65.10%038%0.375CS..EExtended strand (participates in β ladder)trans-83.2-46177.1-57.3-178000110.2L361 I381 A383 M385 K390 T404 N407 L417 L423L361-L392 HydrophobicContact CD1-CB 4.35Å; L361-L392 HydrophobicContact CD1-CD1 4.3Å; L361-L392 HydrophobicContact CD2-CB 3.85Å; I381-L392 HydrophobicContact CB-CB 4.42Å; I381-L392 HydrophobicContact CG2-CB 4.43Å; I381-L392 HydrophobicContact CG2-CD1 3.96Å; I381-L392 WeakPolarHBondContact O-CB 3.18Å; I381-L392 PolarHBondContact O-N 3.38Å; A383-L392 HydrophobicContact CB-CD1 4.01Å; A383-L392 HydrophobicContact CB-CG 4.37Å; M385-L392 HydrophobicContact SD-CD2 4.18Å; K390-L392 PolarHBondContact O-N 3.49Å; L392-T404 WeakPolarHBondContact O-CB 3.41Å; L392-N407 WeakPolarHBondContact O-CB 3.36Å; L392-N407 PolarHBondContact O-ND2 2.87Å; L392-L417 HydrophobicContact CD1-CD1 4.1Å; L392-L417 HydrophobicContact CD1-CD2 4.11Å; L392-L423 HydrophobicContact CD1-CD2 4.08Å
393Y95.8Very high89.4Confident10 Ų1073 Ų734%0.03940%0.401CS..EExtended strand (participates in β ladder)trans-155.9139.1175.7-175.4-116.5000111.6L365 A380 I381 Q395 E401 L408L365-Y393 HydrophobicContact CD1-CD1 3.87Å; L365-Y393 HydrophobicContact CD1-CE1 4.04Å; L365-Y393 HydrophobicContact CD2-CD1 3.9Å; L365-Y393 HydrophobicContact CD2-CE1 3.49Å; L365-Y393 VanDerWaalsContact CD2-CE1 3.49Å; L365-Y393 HydrophobicContact CG-CE1 4.45Å; A380-Y393 CarbonylContact C-O 3.3Å; A380-Y393 WeakPolarHBondContact CA-O 3.47Å; I381-Y393 PolarHBondContact N-O 3.42Å; I381-Y393 PolarHBondContact O-N 3.26Å; Y393-Q395 HydrophobicContact CD1-CG 4.27Å; Y393-Q395 HydrophobicContact CE1-CG 3.31Å; Y393-Q395 VanDerWaalsContact CZ-CG 3.45Å; Y393-Q395 VanDerWaalsContact OH-CG 3.24Å; Y393-Q395 WeakPolarHBondContact OH-CG 3.45Å; Y393-Q395 PolarHBondContact OH-NE2 2.79Å; Y393-E401 HydrophobicContact CE2-CG 4.29Å; Y393-E401 PolarHBondContact OH-OE1 3.06Å; Y393-E401 VanDerWaalsContact OH-OE1 3.13Å; Y393-L408 HydrophobicContact CD1-CD2 3.9Å; Y393-L408 HydrophobicContact CD2-CD1 4.01Å; Y393-L408 HydrophobicContact CD2-CD2 3.86Å; Y393-L408 HydrophobicContact CD2-CG 3.85Å; Y393-L408 HydrophobicContact CE1-CD1 4.3Å; Y393-L408 HydrophobicContact CE1-CD2 4.14Å; Y393-L408 HydrophobicContact CE2-CD1 3.54Å; Y393-L408 HydrophobicContact CE2-CD2 4.18Å; Y393-L408 HydrophobicContact CE2-CG 3.94Å; Y393-L408 HydrophobicContact CG-CD2 3.72Å; Y393-L408 HydrophobicContact CG-CG 4.24Å
394L92.8Very high89.4Confident30 Ų3073.3 Ų73.316%0.15740%0.403CS..  trans-150.3122.7177.6177.3134.5000110.6A380 T391 T396 V397 I400 E401 T404A380-L394 HydrophobicContact CB-CB 4.09Å; A380-L394 HydrophobicContact CB-CD1 3.73Å; A380-L394 HydrophobicContact CB-CG 3.99Å; T391-L394 HydrophobicContact CG2-CB 3.77Å; L394-T396 WeakPolarHBondContact CD2-OG1 3.28Å; L394-V397 HydrophobicContact CD2-CB 3.76Å; L394-V397 HydrophobicContact CD2-CG2 3.97Å; L394-I400 HydrophobicContact CB-CG2 4.04Å; L394-I400 HydrophobicContact CD2-CB 3.82Å; L394-I400 HydrophobicContact CD2-CD1 4.05Å; L394-I400 HydrophobicContact CD2-CG1 4.49Å; L394-I400 HydrophobicContact CD2-CG2 3.87Å; L394-E401 WeakPolarHBondContact O-CA 3.44Å; L394-E401 VanDerWaalsContact O-CB 3.27Å; L394-E401 WeakPolarHBondContact O-CB 3.38Å; L394-E401 PolarHBondContact O-N 2.8Å; L394-T404 PolarHBondContact N-OG1 2.85Å
395Q88.5Confident89.7Confident73 Ų7375.9 Ų75.934%0.34140%0.402SS..SBendtrans-90.1-24.3-174.9-71.5-177.1-19.300114.7S378 Y393 V397S378-Q395 VanDerWaalsContact CB-OE1 3.24Å; Y393-Q395 HydrophobicContact CD1-CG 4.27Å; Y393-Q395 HydrophobicContact CE1-CG 3.31Å; Y393-Q395 VanDerWaalsContact CZ-CG 3.45Å; Y393-Q395 VanDerWaalsContact OH-CG 3.24Å; Y393-Q395 WeakPolarHBondContact OH-CG 3.45Å; Y393-Q395 PolarHBondContact OH-NE2 2.79Å; Q395-V397 VanDerWaalsContact C-N 3.34Å; Q395-V397 PolarHBondContact O-N 2.98Å
396T85.8Confident90.3Very high89 Ų8978.4 Ų78.455%0.54642%0.42SS..SBendtrans-72.6-25.9-166.851.20000113.7L394 V428L394-T396 WeakPolarHBondContact CD2-OG1 3.28Å; T396-V428 HydrophobicContact CG2-CG1 4.49Å
397V90Very high91.2Very high64 Ų6469 Ų6939%0.38838%0.384SS..SBendtrans-116.5109.3-179.9-178.40000108.9L394 Q395 S399 I400 E401L394-V397 HydrophobicContact CD2-CB 3.76Å; L394-V397 HydrophobicContact CD2-CG2 3.97Å; Q395-V397 VanDerWaalsContact C-N 3.34Å; Q395-V397 PolarHBondContact O-N 2.98Å; V397-S399 VanDerWaalsContact C-N 3.27Å; V397-S399 PolarHBondContact O-N 3.31Å; V397-S399 VanDerWaalsContact O-N 3.14Å; V397-I400 HydrophobicContact CB-CB 4.27Å; V397-I400 HydrophobicContact CB-CD1 4.02Å; V397-I400 HydrophobicContact CB-CG1 4.14Å; V397-I400 HydrophobicContact CG1-CB 4.48Å; V397-I400 HydrophobicContact CG1-CD1 4.05Å; V397-I400 HydrophobicContact CG1-CG1 3.96Å; V397-I400 HydrophobicContact CG2-CD1 4.42Å; V397-I400 PolarHBondContact O-N 2.69Å; V397-E401 PolarHBondContact O-N 2.73Å
398A88.9Confident92.1Very high68 Ų6865.9 Ų65.956%0.56235%0.347SS*.Hα-helixtrans-50.6-43.4-173.700000113.4I400 E401 E402A398-I400 VanDerWaalsContact C-N 3.29Å; A398-I400 PolarHBondContact O-N 3.04Å; A398-E401 WeakPolarHBondContact O-CB 3.48Å; A398-E401 PolarHBondContact O-N 3.13Å; A398-E402 WeakPolarHBondContact O-CG 3.38Å; A398-E402 PolarHBondContact O-N 3.43Å
399S92.6Very high92.7Very high60 Ų6067.9 Ų67.942%0.4236%0.356SS..Hα-helixtrans-65.7-28.6179.3630000114.1V397 R403V397-S399 VanDerWaalsContact C-N 3.27Å; V397-S399 PolarHBondContact O-N 3.31Å; V397-S399 VanDerWaalsContact O-N 3.14Å; S399-R403 VanDerWaalsContact O-CD 3.32Å; S399-R403 WeakPolarHBondContact O-CD 3.48Å; S399-R403 VanDerWaalsContact O-CG 3.25Å; S399-R403 WeakPolarHBondContact O-CG 3.26Å; S399-R403 PolarHBondContact O-NE 3Å
400I91.5Very high93Very high60 Ų6065.2 Ų65.231%0.30834%0.338SS..Hα-helixtrans-85.1-37.8176.6-58.3176.9000109.5T391 L394 V397 A398 E402 R403 T404T391-I400 HydrophobicContact CG2-CG2 4.21Å; L394-I400 HydrophobicContact CB-CG2 4.04Å; L394-I400 HydrophobicContact CD2-CB 3.82Å; L394-I400 HydrophobicContact CD2-CD1 4.05Å; L394-I400 HydrophobicContact CD2-CG1 4.49Å; L394-I400 HydrophobicContact CD2-CG2 3.87Å; V397-I400 HydrophobicContact CB-CB 4.27Å; V397-I400 HydrophobicContact CB-CD1 4.02Å; V397-I400 HydrophobicContact CB-CG1 4.14Å; V397-I400 HydrophobicContact CG1-CB 4.48Å; V397-I400 HydrophobicContact CG1-CD1 4.05Å; V397-I400 HydrophobicContact CG1-CG1 3.96Å; V397-I400 HydrophobicContact CG2-CD1 4.42Å; V397-I400 PolarHBondContact O-N 2.69Å; A398-I400 VanDerWaalsContact C-N 3.29Å; A398-I400 PolarHBondContact O-N 3.04Å; I400-E402 PolarHBondContact O-N 2.92Å; I400-R403 PolarHBondContact O-N 3.07Å; I400-T404 HydrophobicContact CG2-CG2 4.01Å; I400-T404 WeakPolarHBondContact O-CB 3.46Å; I400-T404 WeakPolarHBondContact O-CG2 3.24Å; I400-T404 PolarHBondContact O-N 2.74Å; I400-T404 PolarHBondContact O-OG1 3.41Å
401E94Very high93.1Very high16 Ų1662.4 Ų62.48%0.07533%0.328CS..Hα-helixtrans-55.8-52.2175.4-163.4-72.7153.400110.3Y393 L394 V397 A398 R403 T404 R405Y393-E401 HydrophobicContact CE2-CG 4.29Å; Y393-E401 PolarHBondContact OH-OE1 3.06Å; Y393-E401 VanDerWaalsContact OH-OE1 3.13Å; L394-E401 WeakPolarHBondContact O-CA 3.44Å; L394-E401 VanDerWaalsContact O-CB 3.27Å; L394-E401 WeakPolarHBondContact O-CB 3.38Å; L394-E401 PolarHBondContact O-N 2.8Å; V397-E401 PolarHBondContact O-N 2.73Å; A398-E401 WeakPolarHBondContact O-CB 3.48Å; A398-E401 PolarHBondContact O-N 3.13Å; E401-R403 VanDerWaalsContact C-N 3.27Å; E401-R403 PolarHBondContact O-N 3.1Å; E401-T404 PolarHBondContact O-N 3.33Å; E401-T404 VanDerWaalsContact O-N 3.09Å; E401-T404 PolarHBondContact O-OG1 3.09Å; E401-R405 VanDerWaalsContact O-CB 3.25Å; E401-R405 WeakPolarHBondContact O-CB 3.4Å; E401-R405 PolarHBondContact O-N 3.3Å; E401-R405 IonicContact OE1-CZ 2.8Å; E401-R405 IonicContact OE1-NE 2.79Å; E401-R405 PolarHBondContact OE1-NE 2.73Å; E401-R405 IonicContact OE1-NH1 2.7Å; E401-R405 IonicContact OE1-NH2 2.98Å; E401-R405 PolarHBondContact OE1-NH2 3.32Å; E401-R405 IonicContact OE2-CZ 3.7Å; E401-R405 VanDerWaalsContact OE2-CZ 3.23Å; E401-R405 IonicContact OE2-NE 3.19Å; E401-R405 PolarHBondContact OE2-NE 2.82Å; E401-R405 IonicContact OE2-NH2 2.69Å; E401-R405 PolarHBondContact OE2-NH2 3.39Å
402E92Very high93Very high139 Ų13959.8 Ų59.865%0.6531%0.312SS*.Hα-helixtrans-58.3-39.2179.5-73.1175.5-178.900112.5A398 I400 P406A398-E402 WeakPolarHBondContact O-CG 3.38Å; A398-E402 PolarHBondContact O-N 3.43Å; I400-E402 PolarHBondContact O-N 2.92Å; E402-P406 WeakPolarHBondContact O-CD 3.44Å
403R93.6Very high92.8Very high203 Ų20367.5 Ų67.577%0.76635%0.346SS*.Hα-helixtrans-73.7-29.1179.7-68.9175.1-171-174.53.2113.1S399 I400 E401S399-R403 VanDerWaalsContact O-CD 3.32Å; S399-R403 WeakPolarHBondContact O-CD 3.48Å; S399-R403 VanDerWaalsContact O-CG 3.25Å; S399-R403 WeakPolarHBondContact O-CG 3.26Å; S399-R403 PolarHBondContact O-NE 3Å; I400-R403 PolarHBondContact O-N 3.07Å; E401-R403 VanDerWaalsContact C-N 3.27Å; E401-R403 PolarHBondContact O-N 3.1Å
404T95.1Very high92.6Very high10 Ų1073.4 Ų73.46%0.06137%0.374CS..Hα-helixtrans-101.1-18.7-17557.60000113.2T391 L392 L394 I400 E401 P406 N407T391-T404 HydrophobicContact CG2-CG2 4.2Å; L392-T404 WeakPolarHBondContact O-CB 3.41Å; L394-T404 PolarHBondContact N-OG1 2.85Å; I400-T404 HydrophobicContact CG2-CG2 4.01Å; I400-T404 WeakPolarHBondContact O-CB 3.46Å; I400-T404 WeakPolarHBondContact O-CG2 3.24Å; I400-T404 PolarHBondContact O-N 2.74Å; I400-T404 PolarHBondContact O-OG1 3.41Å; E401-T404 PolarHBondContact O-N 3.33Å; E401-T404 VanDerWaalsContact O-N 3.09Å; E401-T404 PolarHBondContact O-OG1 3.09Å; T404-P406 VanDerWaalsContact C-N 3.32Å; T404-N407 WeakPolarHBondContact O-CB 3.35Å; T404-N407 PolarHBondContact O-N 3.18Å
405R94.6Very high92.6Very high142 Ų14272.3 Ų72.354%0.53637%0.368SS..G310 helixtrans-50.1-40.5174.7-177.3-172.7-65.4-110.79.1113.7E401 N407 L408E401-R405 VanDerWaalsContact O-CB 3.25Å; E401-R405 WeakPolarHBondContact O-CB 3.4Å; E401-R405 PolarHBondContact O-N 3.3Å; E401-R405 IonicContact OE1-CZ 2.8Å; E401-R405 IonicContact OE1-NE 2.79Å; E401-R405 PolarHBondContact OE1-NE 2.73Å; E401-R405 IonicContact OE1-NH1 2.7Å; E401-R405 IonicContact OE1-NH2 2.98Å; E401-R405 PolarHBondContact OE1-NH2 3.32Å; E401-R405 IonicContact OE2-CZ 3.7Å; E401-R405 VanDerWaalsContact OE2-CZ 3.23Å; E401-R405 IonicContact OE2-NE 3.19Å; E401-R405 PolarHBondContact OE2-NE 2.82Å; E401-R405 IonicContact OE2-NH2 2.69Å; E401-R405 PolarHBondContact OE2-NH2 3.39Å; R405-N407 PolarHBondContact O-N 3.31Å; R405-N407 VanDerWaalsContact O-N 3.12Å; R405-L408 HydrophobicContact CG-CD1 4.41Å; R405-L408 WeakPolarHBondContact O-CB 3.38Å; R405-L408 PolarHBondContact O-N 3.19Å
406P96.4Very high92.7Very high69 Ų6970 Ų7045%0.44836%0.364SS..G310 helixtrans-61.9-19.3175.6-24.135.4000114.4E402 T404 L408 S409E402-P406 WeakPolarHBondContact O-CD 3.44Å; T404-P406 VanDerWaalsContact C-N 3.32Å; P406-L408 VanDerWaalsContact C-N 3.31Å; P406-S409 PolarHBondContact O-OG 2.9Å
407N95.4Very high93Very high17 Ų1766.1 Ų66.19%0.09134%0.34CS..G310 helixtrans-73-24176.1-62-28.9000112.3L361 L392 T404 R405 S409 K410 L415L361-N407 HydrophobicContact CD2-CB 3.97Å; L392-N407 WeakPolarHBondContact O-CB 3.36Å; L392-N407 PolarHBondContact O-ND2 2.87Å; T404-N407 WeakPolarHBondContact O-CB 3.35Å; T404-N407 PolarHBondContact O-N 3.18Å; R405-N407 PolarHBondContact O-N 3.31Å; R405-N407 VanDerWaalsContact O-N 3.12Å; N407-S409 PolarHBondContact O-N 3.48Å; N407-K410 WeakPolarHBondContact O-CB 3.32Å; N407-K410 PolarHBondContact O-N 2.89Å; N407-K410 PolarHBondContact OD1-NZ 3.48Å; N407-L415 HydrophobicContact CB-CD2 3.82Å
408L94.4Very high93Very high17 Ų1767.2 Ų67.29%0.08935%0.346CS..THydrogen-bonded Turntrans-60.1-34.1178.8-66.9175000112.6L361 Q362 L365 Y393 R405 P406L361-L408 HydrophobicContact CD2-CD2 4.34Å; L361-L408 HydrophobicContact CG-CD2 4.33Å; Q362-L408 HydrophobicContact CB-CB 4.43Å; Q362-L408 WeakPolarHBondContact CB-O 3.47Å; Q362-L408 PolarHBondContact N-O 3.08Å; L365-L408 HydrophobicContact CD2-CD2 3.91Å; Y393-L408 HydrophobicContact CD1-CD2 3.9Å; Y393-L408 HydrophobicContact CD2-CD1 4.01Å; Y393-L408 HydrophobicContact CD2-CD2 3.86Å; Y393-L408 HydrophobicContact CD2-CG 3.85Å; Y393-L408 HydrophobicContact CE1-CD1 4.3Å; Y393-L408 HydrophobicContact CE1-CD2 4.14Å; Y393-L408 HydrophobicContact CE2-CD1 3.54Å; Y393-L408 HydrophobicContact CE2-CD2 4.18Å; Y393-L408 HydrophobicContact CE2-CG 3.94Å; Y393-L408 HydrophobicContact CG-CD2 3.72Å; Y393-L408 HydrophobicContact CG-CG 4.24Å; R405-L408 HydrophobicContact CG-CD1 4.41Å; R405-L408 WeakPolarHBondContact O-CB 3.38Å; R405-L408 PolarHBondContact O-N 3.19Å; P406-L408 VanDerWaalsContact C-N 3.31Å
409S95.3Very high93.1Very high78 Ų7868.4 Ų68.455%0.54534%0.343SS..THydrogen-bonded Turntrans-82-12.3177.448.60000114.5P406 N407P406-S409 PolarHBondContact O-OG 2.9Å; N407-S409 PolarHBondContact O-N 3.48Å
410K95.4Very high92.9Very high81 Ų8167 Ų6735%0.35234%0.338SS..SBendtrans-83.9148.2-179.8-64.7177.5-170.6163.70110.6K360 L361 N407 E414 L415K360-K410 WeakPolarHBondContact CA-O 3.38Å; L361-K410 PolarHBondContact N-O 3.04Å; L361-K410 VanDerWaalsContact N-O 3.1Å; N407-K410 WeakPolarHBondContact O-CB 3.32Å; N407-K410 PolarHBondContact O-N 2.89Å; N407-K410 PolarHBondContact OD1-NZ 3.48Å; K410-E414 WeakPolarHBondContact CA-OE2 3.39Å; K410-E414 HydrophobicContact CB-CB 4.26Å; K410-L415 HydrophobicContact CB-CD1 4.43Å; K410-L415 HydrophobicContact CB-CD2 3.94Å; K410-L415 HydrophobicContact CB-CG 3.9Å; K410-L415 HydrophobicContact CD-CD2 3.73Å; K410-L415 HydrophobicContact CG-CD2 4.47Å
411T94.9Very high92.8Very high30 Ų3065.3 Ų65.318%0.18433%0.329CS..BIsolated β-bridgetrans-73.4157174650000111.4S358 A359 K413 E414 L415S358-T411 VanDerWaalsContact O-CG2 3.25Å; S358-T411 WeakPolarHBondContact O-CG2 3.44Å; A359-T411 CarbonylContact O-C 3.59Å; A359-T411 WeakPolarHBondContact O-CA 3.25Å; T411-K413 PolarHBondContact O-N 3.38Å; T411-E414 PolarHBondContact N-OE2 3.15Å; T411-E414 PolarHBondContact O-N 3.26Å; T411-E414 VanDerWaalsContact O-N 3.11Å; T411-E414 WeakPolarHBondContact OG1-CB 3.33Å; T411-E414 WeakPolarHBondContact OG1-CG 3.41Å; T411-E414 PolarHBondContact OG1-N 3.06Å; T411-E414 PolarHBondContact OG1-OE2 3.44Å; T411-L415 WeakPolarHBondContact O-CG 3.28Å; T411-L415 PolarHBondContact O-N 2.91Å
412L92Very high92.7Very high0 Ų069 Ų690%035%0.346CS..Hα-helixtrans-57.2-38.7177.3-54.3-176.4000111.3I355 A359 I364 L415 G416 L417 L438 F440I355-L412 HydrophobicContact CD1-CD1 4.24Å; I355-L412 HydrophobicContact CG1-CD1 4.34Å; I355-L412 HydrophobicContact CG2-CD1 3.5Å; I355-L412 VanDerWaalsContact CG2-CD1 3.5Å; A359-L412 HydrophobicContact CB-CD1 4.48Å; A359-L412 WeakPolarHBondContact O-CG 3.37Å; A359-L412 PolarHBondContact O-N 3Å; I364-L412 HydrophobicContact CD1-CD1 3.91Å; I364-L412 HydrophobicContact CD1-CD2 3.43Å; I364-L412 VanDerWaalsContact CD1-CD2 3.43Å; I364-L412 HydrophobicContact CD1-CG 4.33Å; I364-L412 HydrophobicContact CG1-CD2 4.19Å; L412-L415 PolarHBondContact O-N 3.1Å; L412-G416 PolarHBondContact O-N 3.43Å; L412-L417 HydrophobicContact CB-CB 4.31Å; L412-L417 HydrophobicContact CB-CD1 4.14Å; L412-L417 HydrophobicContact CD2-CD1 3.83Å; L412-L417 HydrophobicContact CG-CD1 4.49Å; L412-L417 WeakPolarHBondContact O-CB 3.19Å; L412-L417 PolarHBondContact O-N 3.06Å; L412-L438 HydrophobicContact CD1-CD2 4.39Å; L412-F440 HydrophobicContact CB-CE1 4.17Å; L412-F440 HydrophobicContact CB-CZ 4.03Å; L412-F440 HydrophobicContact CD1-CE1 3.65Å; L412-F440 HydrophobicContact CD1-CZ 4.35Å
413K89.8Confident92.7Very high161 Ų16162.4 Ų62.470%0.732%0.315SS*.Hα-helixtrans-65.5-41.7175.4-168.3173-176.31750113.3P357 T411 L415 G416P357-K413 PolarHBondContact O-N 3.31Å; T411-K413 PolarHBondContact O-N 3.38Å; K413-L415 VanDerWaalsContact C-N 3.27Å; K413-L415 PolarHBondContact O-N 3.15Å; K413-G416 PolarHBondContact O-N 2.97Å
414E92.1Very high92.7Very high134 Ų13453.9 Ų53.963%0.62629%0.288SS*.Hα-helixtrans-66.1-31.1175.1-75.7168.2154.300112.6K410 T411 G416K410-E414 WeakPolarHBondContact CA-OE2 3.39Å; K410-E414 HydrophobicContact CB-CB 4.26Å; T411-E414 PolarHBondContact N-OE2 3.15Å; T411-E414 PolarHBondContact O-N 3.26Å; T411-E414 VanDerWaalsContact O-N 3.11Å; T411-E414 WeakPolarHBondContact OG1-CB 3.33Å; T411-E414 WeakPolarHBondContact OG1-CG 3.41Å; T411-E414 PolarHBondContact OG1-N 3.06Å; T411-E414 PolarHBondContact OG1-OE2 3.44Å; E414-G416 PolarHBondContact O-N 3.11Å
415L91.3Very high92.6Very high8 Ų853.5 Ų53.54%0.04229%0.286CS..Hα-helixtrans-73.3-13.4173.8-68.5173.7000112.7L361 M385 N407 K410 T411 L412 K413 L417L361-L415 HydrophobicContact CB-CD1 3.71Å; L361-L415 HydrophobicContact CD1-CD1 4.39Å; L361-L415 HydrophobicContact CD2-CD1 3.94Å; L361-L415 HydrophobicContact CG-CD1 4.23Å; M385-L415 WeakPolarHBondContact CE-O 3.3Å; N407-L415 HydrophobicContact CB-CD2 3.82Å; K410-L415 HydrophobicContact CB-CD1 4.43Å; K410-L415 HydrophobicContact CB-CD2 3.94Å; K410-L415 HydrophobicContact CB-CG 3.9Å; K410-L415 HydrophobicContact CD-CD2 3.73Å; K410-L415 HydrophobicContact CG-CD2 4.47Å; T411-L415 WeakPolarHBondContact O-CG 3.28Å; T411-L415 PolarHBondContact O-N 2.91Å; L412-L415 PolarHBondContact O-N 3.1Å; K413-L415 VanDerWaalsContact C-N 3.27Å; K413-L415 PolarHBondContact O-N 3.15Å; L415-L417 HydrophobicContact CB-CG 4.38Å
416G90.8Very high92.5Very high25 Ų2548.8 Ų48.826%0.25828%0.277SS..THydrogen-bonded Turntrans8519-179.900000113.5M385 L412 K413 E414M385-G416 WeakPolarHBondContact CE-O 3.35Å; L412-G416 PolarHBondContact O-N 3.43Å; K413-G416 PolarHBondContact O-N 2.97Å; E414-G416 PolarHBondContact O-N 3.11Å
417L92.2Very high92.3Very high7 Ų746.1 Ų46.14%0.03726%0.259CS..  trans-74.9141.8177.1-63.8171.8000110.4A383 L392 L412 L415 Q421 L423 L438 F440A383-L417 HydrophobicContact CB-CD2 3.96Å; L392-L417 HydrophobicContact CD1-CD1 4.1Å; L392-L417 HydrophobicContact CD1-CD2 4.11Å; L412-L417 HydrophobicContact CB-CB 4.31Å; L412-L417 HydrophobicContact CB-CD1 4.14Å; L412-L417 HydrophobicContact CD2-CD1 3.83Å; L412-L417 HydrophobicContact CG-CD1 4.49Å; L412-L417 WeakPolarHBondContact O-CB 3.19Å; L412-L417 PolarHBondContact O-N 3.06Å; L415-L417 HydrophobicContact CB-CG 4.38Å; L417-Q421 VanDerWaalsContact CA-OE1 3.26Å; L417-L423 HydrophobicContact CD1-CD2 4.48Å; L417-L423 HydrophobicContact CD2-CD2 4.06Å; L417-L438 HydrophobicContact CB-CD1 4.22Å; L417-L438 HydrophobicContact CD1-CD1 4.07Å; L417-L438 HydrophobicContact CD2-CD1 4.46Å; L417-L438 HydrophobicContact CG-CD1 4.49Å; L417-F440 HydrophobicContact CB-CZ 4.34Å
418V91.2Very high92Very high86 Ų8648.6 Ų48.652%0.52128%0.275SS..  trans-116.7156.9-179.3-60.10000111.4Q421V418-Q421 HydrophobicContact CG2-CB 3.91Å; V418-Q421 WeakPolarHBondContact O-CB 3.37Å; V418-Q421 PolarHBondContact O-N 3.14Å
419D91.2Very high91.7Very high94 Ų9447.9 Ų47.950%0.50327%0.271SS..THydrogen-bonded Turntrans-60.8139.2174.4-173.740.8000110.9Q421 H439 F440D419-Q421 VanDerWaalsContact C-N 3.25Å; D419-Q421 PolarHBondContact O-N 3.19Å; D419-H439 VanDerWaalsContact OD1-CA 3.29Å; D419-H439 WeakPolarHBondContact OD1-CA 3.19Å; D419-F440 HydrophobicContact CB-CB 4.23Å; D419-F440 HydrophobicContact CB-CD2 3.86Å; D419-F440 HydrophobicContact CB-CG 4.22Å; D419-F440 PolarHBondContact OD1-N 3.13Å
420G87.2Confident91.3Very high29 Ų2944.6 Ų44.630%0.29925%0.248SC..THydrogen-bonded Turntrans76.11.8-175.700000115.5K437 L438G420-K437 WeakPolarHBondContact O-CE 3.31Å; G420-L438 WeakPolarHBondContact CA-O 3.44Å; G420-L438 PolarHBondContact N-O 3.44Å
421Q90.4Very high90.8Very high26 Ų2643.2 Ų43.212%0.12125%0.247CC..  trans-72.1142.6178.9-172.3171.75.400112T384 L417 V418 D419 L438T384-Q421 PolarHBondContact O-NE2 3.47Å; L417-Q421 VanDerWaalsContact CA-OE1 3.26Å; V418-Q421 HydrophobicContact CG2-CB 3.91Å; V418-Q421 WeakPolarHBondContact O-CB 3.37Å; V418-Q421 PolarHBondContact O-N 3.14Å; D419-Q421 VanDerWaalsContact C-N 3.25Å; D419-Q421 PolarHBondContact O-N 3.19Å; Q421-L438 PolarHBondContact O-N 3Å
422E91.3Very high90.4Very high94 Ų9444 Ų4444%0.43925%0.249SC..EExtended strand (participates in β ladder)trans-86.3133.7174.4-66.5-178.4176.400111.9F436E422-F436 CarbonylContact C-O 3.48Å; E422-F436 VanDerWaalsContact CA-O 3.3Å; E422-F436 WeakPolarHBondContact CA-O 3.29Å
423L92.9Very high90.2Very high0 Ų048 Ų480%027%0.273CS..EExtended strand (participates in β ladder)trans-104.3127.6168.9-58.8-178.3000108.7I364 I381 A383 L392 L417 L435 F436 L438I364-L423 HydrophobicContact CD1-CD1 4.07Å; I364-L423 HydrophobicContact CG2-CD1 4.45Å; I381-L423 HydrophobicContact CG2-CB 4.45Å; I381-L423 HydrophobicContact CG2-CD1 4.28Å; I381-L423 HydrophobicContact CG2-CD2 4.45Å; A383-L423 HydrophobicContact CB-CD2 3.78Å; L392-L423 HydrophobicContact CD1-CD2 4.08Å; L417-L423 HydrophobicContact CD1-CD2 4.48Å; L417-L423 HydrophobicContact CD2-CD2 4.06Å; L423-L435 WeakPolarHBondContact O-CA 3.31Å; L423-F436 HydrophobicContact CB-CB 4.31Å; L423-F436 PolarHBondContact N-O 2.87Å; L423-F436 PolarHBondContact O-N 3.22Å; L423-L438 HydrophobicContact CD1-CD1 3.83Å; L423-L438 HydrophobicContact CD1-CD2 4Å; L423-L438 HydrophobicContact CD1-CG 3.83Å; L423-L438 HydrophobicContact CD2-CD1 3.82Å; L423-L438 HydrophobicContact CG-CD1 3.77Å; L423-L438 HydrophobicContact CG-CG 3.97Å
424A92.9Very high90.1Very high24 Ų2441 Ų4120%0.19824%0.243CC..EExtended strand (participates in β ladder)trans-95.1114.7171.900000108.7T382 T433 L435T382-A424 PolarHBondContact N-O 3.45Å; T382-A424 PolarHBondContact O-N 3.04Å; T382-A424 VanDerWaalsContact OG1-CB 3.3Å; T382-A424 WeakPolarHBondContact OG1-CB 3.25Å; T382-A424 PolarHBondContact OG1-O 2.85Å; A424-T433 HydrophobicContact CB-CG2 3.69Å; A424-L435 HydrophobicContact CB-CD2 4.15Å
425V93.3Very high90Very high1 Ų138.3 Ų38.31%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-113.1120.1-176.7-177.70000109.8L368 M376 P379 A380 I381 M434 F436L368-V425 HydrophobicContact CD1-CG1 3.97Å; L368-V425 HydrophobicContact CD1-CG2 4.06Å; M376-V425 HydrophobicContact CE-CG1 4.05Å; M376-V425 HydrophobicContact SD-CG1 3.68Å; P379-V425 HydrophobicContact CB-CG1 3.85Å; A380-V425 VanDerWaalsContact O-CA 3.27Å; A380-V425 WeakPolarHBondContact O-CA 3.36Å; I381-V425 HydrophobicContact CG2-CG2 4.48Å; V425-M434 PolarHBondContact N-O 3.1Å; V425-M434 PolarHBondContact O-N 3.36Å; V425-F436 HydrophobicContact CB-CD2 3.98Å; V425-F436 HydrophobicContact CB-CE2 3.86Å; V425-F436 HydrophobicContact CG1-CE2 4.43Å; V425-F436 HydrophobicContact CG2-CD2 3.55Å; V425-F436 HydrophobicContact CG2-CE2 3.85Å
426A92.4Very high90Very high44 Ų4438 Ų3836%0.36423%0.231SC..EExtended strand (participates in β ladder)trans-109.1140.8172.500000109.4A380A380-A426 PolarHBondContact N-O 3.05Å; A380-A426 PolarHBondContact O-N 3.36Å
427D92.3Very high90Very high13 Ų1340.5 Ų40.57%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-144.3153.6-179.9-174.663.9000110.8M376 K377 S378 P379 T429 T430M376-D427 HydrophobicContact CB-CB 4.35Å; M376-D427 HydrophobicContact CG-CB 4.32Å; M376-D427 HydrophobicContact SD-CB 4.33Å; K377-D427 PolarHBondContact N-OD1 3.04Å; K377-D427 PolarHBondContact N-OD2 3.22Å; K377-D427 VanDerWaalsContact N-OD2 3.09Å; S378-D427 WeakPolarHBondContact CA-OD1 3.31Å; S378-D427 PolarHBondContact N-OD1 3.36Å; P379-D427 WeakPolarHBondContact CA-OD1 3.26Å; P379-D427 HydrophobicContact CB-CB 4.46Å; P379-D427 VanDerWaalsContact N-OD1 3.09Å; D427-T429 PolarHBondContact O-N 3.45Å; D427-T429 VanDerWaalsContact O-N 3.07Å; D427-T429 WeakPolarHBondContact OD2-CB 3.28Å; D427-T429 WeakPolarHBondContact OD2-CG2 3.36Å; D427-T429 PolarHBondContact OD2-N 2.93Å; D427-T429 PolarHBondContact OD2-OG1 2.84Å; D427-T430 PolarHBondContact O-N 3.12Å
428V88.9Confident90Very high68 Ų6840.1 Ų40.141%0.41223%0.233SC..THydrogen-bonded Turntrans-64.2-13.4177.4-62.50000113.7K377 T396 T430K377-V428 HydrophobicContact CB-CG2 3.65Å; K377-V428 HydrophobicContact CG-CG2 4.04Å; T396-V428 HydrophobicContact CG2-CG1 4.49Å; V428-T430 VanDerWaalsContact C-N 3.35Å
429T87.3Confident90Very high2 Ų239 Ų391%0.01222%0.222CC..THydrogen-bonded Turntrans-75.9-17.3176.856.80000114.2R152 W153 K377 D427R152-T429 CarbonylContact C-O 3.56Å; R152-T429 VanDerWaalsContact CB-O 3.25Å; R152-T429 WeakPolarHBondContact CB-O 3.34Å; R152-T429 PolarHBondContact NH2-OG1 3.39Å; W153-T429 WeakPolarHBondContact CA-O 3.29Å; W153-T429 PolarHBondContact N-O 2.71Å; W153-T429 VanDerWaalsContact N-O 3.1Å; K377-T429 HydrophobicContact CB-CG2 4.07Å; D427-T429 PolarHBondContact O-N 3.45Å; D427-T429 VanDerWaalsContact O-N 3.07Å; D427-T429 WeakPolarHBondContact OD2-CB 3.28Å; D427-T429 WeakPolarHBondContact OD2-CG2 3.36Å; D427-T429 PolarHBondContact OD2-N 2.93Å; D427-T429 PolarHBondContact OD2-OG1 2.84Å
430T87.6Confident90Very high10 Ų1036.7 Ų36.76%0.06121%0.207CC..EExtended strand (participates in β ladder)trans-147.9140.8-179.6176.60000111.2D427 V428 Q432 M434D427-T430 PolarHBondContact O-N 3.12Å; V428-T430 VanDerWaalsContact C-N 3.35Å; T430-Q432 WeakPolarHBondContact CG2-O 3.47Å; T430-Q432 PolarHBondContact O-N 3.17Å; T430-Q432 PolarHBondContact OG1-N 3.04Å; T430-M434 HydrophobicContact CG2-CG 4.34Å; T430-M434 HydrophobicContact CG2-SD 3.82Å
431P85.1Confident89.9Confident52 Ų5238.1 Ų38.134%0.33821%0.21SC..EExtended strand (participates in β ladder)trans-71.5-15.5172.330-34.6000112.8W153 M157W153-P431 HydrophobicContact CD2-CG 4.44Å; W153-P431 HydrophobicContact CZ2-CB 4.17Å; W153-P431 HydrophobicContact CZ2-CG 4.45Å; W153-P431 WeakPolarHBondContact O-CD 3.27Å; M157-P431 HydrophobicContact CB-CG 3.95Å; M157-P431 HydrophobicContact CE-CB 4.26Å; M157-P431 HydrophobicContact CE-CG 4.28Å; M157-P431 VanDerWaalsContact N-CG 3.27Å
432Q86.4Confident88.7Confident46 Ų4646.7 Ų46.722%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-84.2144.2-180-68.9-175.2-42.800112.2G156 M159 T430G156-Q432 VanDerWaalsContact O-CD 3.3Å; G156-Q432 WeakPolarHBondContact O-CG 3.44Å; M159-Q432 PolarHBondContact O-NE2 3.16Å; T430-Q432 WeakPolarHBondContact CG2-O 3.47Å; T430-Q432 PolarHBondContact O-N 3.17Å; T430-Q432 PolarHBondContact OG1-N 3.04Å
433T87.8Confident88.6Confident85 Ų8544.3 Ų44.352%0.52126%0.256SS..EExtended strand (participates in β ladder)trans-80.5123.3165.3-59.80000109A424A424-T433 HydrophobicContact CB-CG2 3.69Å
434M88.8Confident88.4Confident12 Ų1246.6 Ų46.66%0.05927%0.269CS..EExtended strand (participates in β ladder)trans-92136.2179.3-63166.67800109.6P344 L374 M376 V425 T430 F436P344-M434 HydrophobicContact CB-CE 3.27Å; P344-M434 HydrophobicContact CG-CE 3.78Å; P344-M434 WeakPolarHBondContact O-CE 3.35Å; L374-M434 HydrophobicContact CD2-CE 4.47Å; M376-M434 HydrophobicContact CE-CE 3.78Å; M376-M434 HydrophobicContact CE-SD 3.34Å; M376-M434 WeakPolarHBondContact CE-SD 3Å; V425-M434 PolarHBondContact N-O 3.1Å; V425-M434 PolarHBondContact O-N 3.36Å; T430-M434 HydrophobicContact CG2-CG 4.34Å; T430-M434 HydrophobicContact CG2-SD 3.82Å; M434-F436 HydrophobicContact CB-CD2 4.46Å; M434-F436 HydrophobicContact CB-CE2 3.77Å; M434-F436 HydrophobicContact CE-CZ 4.42Å
435L89.6Confident88.1Confident79 Ų7947.9 Ų47.941%0.41427%0.273SS..EExtended strand (participates in β ladder)trans-100.4129-179.3-60.7178.8000110.3P350 Q351 L423 A424P350-L435 WeakPolarHBondContact CA-O 3.46Å; P350-L435 HydrophobicContact CB-CB 4.19Å; P350-L435 HydrophobicContact CG-CB 4.38Å; Q351-L435 PolarHBondContact N-O 3.42Å; L423-L435 WeakPolarHBondContact O-CA 3.31Å; A424-L435 HydrophobicContact CB-CD2 4.15Å
436F91Very high87.8Confident0 Ų050.6 Ų50.60%029%0.289CS..EExtended strand (participates in β ladder)trans-121.2132.4176.1-67.7-96.7000110.1Q351 I353 L368 L374 M376 E422 L423 V425 M434Q351-F436 HydrophobicContact CB-CD1 3.43Å; Q351-F436 VanDerWaalsContact CB-CD1 3.43Å; Q351-F436 HydrophobicContact CB-CE1 3.58Å; Q351-F436 HydrophobicContact CB-CG 4.23Å; Q351-F436 HydrophobicContact CB-CZ 4.47Å; Q351-F436 HydrophobicContact CG-CD1 4.38Å; Q351-F436 HydrophobicContact CG-CE1 4.11Å; Q351-F436 CarbonylContact O-C 3.57Å; Q351-F436 WeakPolarHBondContact O-CA 3.48Å; I353-F436 HydrophobicContact CD1-CB 3.65Å; I353-F436 HydrophobicContact CD1-CD1 3.57Å; I353-F436 HydrophobicContact CD1-CE1 4.44Å; I353-F436 HydrophobicContact CD1-CG 3.78Å; I353-F436 HydrophobicContact CG1-CB 4.03Å; I353-F436 HydrophobicContact CG1-CD1 3.65Å; I353-F436 HydrophobicContact CG1-CG 4.22Å; L368-F436 HydrophobicContact CD2-CD1 4.42Å; L368-F436 HydrophobicContact CD2-CE1 3.89Å; L368-F436 HydrophobicContact CD2-CE2 3.99Å; L368-F436 HydrophobicContact CD2-CZ 3.65Å; L374-F436 HydrophobicContact CD1-CE1 3.93Å; L374-F436 HydrophobicContact CD1-CZ 4.09Å; L374-F436 HydrophobicContact CD2-CE1 4.26Å; L374-F436 HydrophobicContact CD2-CZ 4.1Å; M376-F436 HydrophobicContact CE-CE2 3.97Å; M376-F436 HydrophobicContact CE-CZ 3.85Å; E422-F436 CarbonylContact C-O 3.48Å; E422-F436 VanDerWaalsContact CA-O 3.3Å; E422-F436 WeakPolarHBondContact CA-O 3.29Å; L423-F436 HydrophobicContact CB-CB 4.31Å; L423-F436 PolarHBondContact N-O 2.87Å; L423-F436 PolarHBondContact O-N 3.22Å; V425-F436 HydrophobicContact CB-CD2 3.98Å; V425-F436 HydrophobicContact CB-CE2 3.86Å; V425-F436 HydrophobicContact CG1-CE2 4.43Å; V425-F436 HydrophobicContact CG2-CD2 3.55Å; V425-F436 HydrophobicContact CG2-CE2 3.85Å; M434-F436 HydrophobicContact CB-CD2 4.46Å; M434-F436 HydrophobicContact CB-CE2 3.77Å; M434-F436 HydrophobicContact CE-CZ 4.42Å
437K91.4Very high87.5Confident78 Ų7851.1 Ų51.134%0.33928%0.284SS..EExtended strand (participates in β ladder)trans-98.1121.6175.1-166.5171-173.8171.10110.1P350 Q351 N352 I353 G420P350-K437 HydrophobicContact CB-CB 4.36Å; Q351-K437 PolarHBondContact O-N 3.45Å; N352-K437 WeakPolarHBondContact CA-O 3.38Å; I353-K437 PolarHBondContact N-O 2.95Å; G420-K437 WeakPolarHBondContact O-CE 3.31Å
438L91.4Very high87.2Confident0 Ų053.6 Ų53.60%030%0.299CS..EExtended strand (participates in β ladder)trans-73.3132.4176.4-78.6164.7000110.7I353 I355 I364 L412 L417 G420 Q421 L423 F440I353-L438 HydrophobicContact CB-CD2 4.42Å; I353-L438 HydrophobicContact CG2-CD2 4.38Å; I355-L438 HydrophobicContact CG2-CD2 3.8Å; I364-L438 HydrophobicContact CD1-CD2 3.94Å; L412-L438 HydrophobicContact CD1-CD2 4.39Å; L417-L438 HydrophobicContact CB-CD1 4.22Å; L417-L438 HydrophobicContact CD1-CD1 4.07Å; L417-L438 HydrophobicContact CD2-CD1 4.46Å; L417-L438 HydrophobicContact CG-CD1 4.49Å; G420-L438 WeakPolarHBondContact CA-O 3.44Å; G420-L438 PolarHBondContact N-O 3.44Å; Q421-L438 PolarHBondContact O-N 3Å; L423-L438 HydrophobicContact CD1-CD1 3.83Å; L423-L438 HydrophobicContact CD1-CD2 4Å; L423-L438 HydrophobicContact CD1-CG 3.83Å; L423-L438 HydrophobicContact CD2-CD1 3.82Å; L423-L438 HydrophobicContact CG-CD1 3.77Å; L423-L438 HydrophobicContact CG-CG 3.97Å; L438-F440 HydrophobicContact CD2-CE1 4.49Å
439H91.6Very high87.1Confident63 Ų6352.6 Ų52.629%0.29229%0.291SS..EExtended strand (participates in β ladder)trans-124.7112.4170.8-79.4-65.1000109.5N352 I353 E354 I355 D419 T441N352-H439 PolarHBondContact OD1-NE2 2.69Å; I353-H439 PolarHBondContact O-N 3.38Å; E354-H439 WeakPolarHBondContact CA-O 3.46Å; E354-H439 HydrophobicContact CG-CB 4.29Å; I355-H439 PolarHBondContact N-O 3.19Å; D419-H439 VanDerWaalsContact OD1-CA 3.29Å; D419-H439 WeakPolarHBondContact OD1-CA 3.19Å; H439-T441 PolarHBondContact O-N 3.24Å
440F90.7Very high87.1Confident44 Ų4456.5 Ų56.519%0.19331%0.312CS..EExtended strand (participates in β ladder)trans-79.2110.7179.2-71.6-17.2000111I355 P357 L412 L417 D419 L438I355-F440 HydrophobicContact CG2-CD1 4.31Å; I355-F440 HydrophobicContact CG2-CE1 4.39Å; I355-F440 VanDerWaalsContact O-CA 3.3Å; I355-F440 WeakPolarHBondContact O-CA 3.37Å; P357-F440 HydrophobicContact CB-CB 4.48Å; P357-F440 HydrophobicContact CB-CD1 4.36Å; P357-F440 HydrophobicContact CB-CD2 3.82Å; P357-F440 HydrophobicContact CB-CE2 4.08Å; P357-F440 HydrophobicContact CB-CG 3.98Å; P357-F440 HydrophobicContact CB-CZ 4.47Å; L412-F440 HydrophobicContact CB-CE1 4.17Å; L412-F440 HydrophobicContact CB-CZ 4.03Å; L412-F440 HydrophobicContact CD1-CE1 3.65Å; L412-F440 HydrophobicContact CD1-CZ 4.35Å; L417-F440 HydrophobicContact CB-CZ 4.34Å; D419-F440 HydrophobicContact CB-CB 4.23Å; D419-F440 HydrophobicContact CB-CD2 3.86Å; D419-F440 HydrophobicContact CB-CG 4.22Å; D419-F440 PolarHBondContact OD1-N 3.13Å; L438-F440 HydrophobicContact CD2-CE1 4.49Å
441T85.8Confident87.1Confident59 Ų5960.3 Ų60.336%0.36233%0.333SS..  trans-74.1128.7172.658.10000109E354 I355 S356 P357 H439E354-T441 HydrophobicContact CB-CG2 3.84Å; E354-T441 HydrophobicContact CG-CG2 4.44Å; I355-T441 PolarHBondContact O-N 3.03Å; S356-T441 PolarHBondContact N-OG1 3.18Å; P357-T441 WeakPolarHBondContact CD-O 3.34Å; H439-T441 PolarHBondContact O-N 3.24Å
442T65.1Low87.2Confident206 Ų20661.1 Ų61.1100%1.26433%0.333SS*.  trans-59.80-179.747.50000113.7

Retrieved 442 of 442 residues in 182.9 ms (Link to these results)

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