A0A5K4F9P4_SCHMA Loading...

Glucose-6-phosphate 1-dehydrogenase

Catalyzes the rate-limiting step of the oxidative pentose-phosphate pathway, which represents a route for the dissimilation of carbohydrates besides glycolysis.

AlphaFold DB , UniProt , Accession A0A5K4F9P4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 513 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
1M39.8Very low39.6Very low215 Ų215116.9 Ų116.9100%1.05961%0.613SS**  0-5.70-72.7-174.7-158.400113.1
2S40.9Very low40.2Very low98 Ų98118.4 Ų118.469%0.68561%0.611SS**  trans-82.1-32.6172.644.40000113.7
3E32.4Very low41.3Very low164 Ų164112.8 Ų112.877%0.76658%0.582SS**Hα-helixtrans-75.2-26.2-176.1-71.9175.4161.200114.5N5E3-N5 VanDerWaalsContact C-N 3.34Å
4V35.7Very low42.2Very low97 Ų97110.4 Ų110.459%0.58857%0.571SS**Hα-helixtrans-74.2-27.8-178.6-176.70000111.7
5N40Very low43.1Very low77 Ų77110.4 Ų110.441%0.41257%0.571SS.*Hα-helixtrans-85.5-25.7-176.5-77.4-17.7000114E3 C7 A430E3-N5 VanDerWaalsContact C-N 3.34Å; N5-C7 VanDerWaalsContact C-N 3.31Å; N5-A430 HydrophobicContact CB-CB 3.78Å; N5-A430 WeakPolarHBondContact ND2-CB 3.42Å
6E36.4Very low44Very low146 Ų146104.8 Ų104.868%0.68254%0.543SS*.Hα-helixtrans-68.2-36.7170.4-81.9179.4160.300110.7C9 E10E6-C9 PolarHBondContact O-N 2.97Å; E6-E10 WeakPolarHBondContact O-CB 3.42Å; E6-E10 WeakPolarHBondContact O-CG 3.41Å; E6-E10 PolarHBondContact O-N 2.91Å
7C37.1Very low44.8Very low74 Ų74103.1 Ų103.150%0.553%0.53SS..Hα-helixtrans-63.3-44.2-178.5-158.80000113N5 E10 E11N5-C7 VanDerWaalsContact C-N 3.31Å; C7-E10 PolarHBondContact O-N 2.94Å; C7-E11 WeakPolarHBondContact O-CB 3.28Å; C7-E11 PolarHBondContact O-N 3.25Å
8E37.5Very low45.3Very low117 Ų117103.1 Ų103.155%0.54753%0.531SS..Hα-helixtrans-69.1-36.5-179.3-72.9-175.4167.800113.1E11 F12E8-E11 PolarHBondContact O-N 3.32Å; E8-F12 PolarHBondContact O-N 3.2Å
9C42.3Very low45.8Very low54 Ų54101.2 Ų101.237%0.36553%0.528SS..Hα-helixtrans-67.5-40.2173.6-102.50000111.3E6 E11 L13E6-C9 PolarHBondContact O-N 2.97Å; C9-E11 VanDerWaalsContact C-N 3.32Å; C9-L13 WeakPolarHBondContact O-CB 3.44Å; C9-L13 VanDerWaalsContact O-CG 3.23Å; C9-L13 WeakPolarHBondContact O-CG 3.19Å; C9-L13 PolarHBondContact O-N 2.86Å; C9-L13 VanDerWaalsContact O-N 3.14Å
10E46.4Very low46.4Very low120 Ų12096.9 Ų96.956%0.56151%0.505SS*.Hα-helixtrans-63.5-37.2173.8-80.8-170.9148.900112.2E6 C7 L13 N14E6-E10 WeakPolarHBondContact O-CB 3.42Å; E6-E10 WeakPolarHBondContact O-CG 3.41Å; E6-E10 PolarHBondContact O-N 2.91Å; C7-E10 PolarHBondContact O-N 2.94Å; E10-L13 PolarHBondContact O-N 3.33Å; E10-N14 VanDerWaalsContact O-CB 3.27Å; E10-N14 WeakPolarHBondContact O-CB 3.44Å; E10-N14 PolarHBondContact O-N 2.99Å; E10-N14 PolarHBondContact O-ND2 2.89Å
11E46.9Very low46.7Very low124 Ų12496.7 Ų96.758%0.57950%0.502SS*.Hα-helixtrans-67.1-43.2-178.1-149.2171.3-163.800112.2C7 E8 C9 N14 I15C7-E11 WeakPolarHBondContact O-CB 3.28Å; C7-E11 PolarHBondContact O-N 3.25Å; E8-E11 PolarHBondContact O-N 3.32Å; C9-E11 VanDerWaalsContact C-N 3.32Å; E11-N14 PolarHBondContact O-N 2.85Å; E11-I15 PolarHBondContact O-N 3.47Å; E11-I15 VanDerWaalsContact O-N 3.07Å
12F46.9Very low47.2Very low135 Ų13595 Ų9559%0.59249%0.491SS*.Hα-helixtrans-65.4-43.7173.3-175.6-95.7000112.1E8 N14 I15 V16E8-F12 PolarHBondContact O-N 3.2Å; F12-N14 PolarHBondContact O-N 3.5Å; F12-I15 PolarHBondContact O-N 2.87Å; F12-V16 HydrophobicContact CD1-CG2 4.37Å; F12-V16 HydrophobicContact CE1-CG2 3.96Å; F12-V16 HydrophobicContact CZ-CG2 4.29Å; F12-V16 PolarHBondContact O-N 3.09Å; F12-V16 VanDerWaalsContact O-N 3.13Å
13L55.1Low48Very low45 Ų4591.8 Ų91.824%0.23647%0.467CS..Hα-helixtrans-59.8-36.5174.3-72.8171.7000111.2C9 E10 V16 K17 L56C9-L13 WeakPolarHBondContact O-CB 3.44Å; C9-L13 VanDerWaalsContact O-CG 3.23Å; C9-L13 WeakPolarHBondContact O-CG 3.19Å; C9-L13 PolarHBondContact O-N 2.86Å; C9-L13 VanDerWaalsContact O-N 3.14Å; E10-L13 PolarHBondContact O-N 3.33Å; L13-V16 PolarHBondContact O-N 3.16Å; L13-K17 WeakPolarHBondContact O-CB 3.39Å; L13-K17 WeakPolarHBondContact O-CD 3.27Å; L13-K17 WeakPolarHBondContact O-CG 3.29Å; L13-K17 PolarHBondContact O-N 2.85Å; L13-L56 HydrophobicContact CD2-CD1 3.9Å; L13-L56 HydrophobicContact CD2-CD2 3.42Å; L13-L56 VanDerWaalsContact CD2-CD2 3.42Å; L13-L56 HydrophobicContact CD2-CG 3.81Å
14N53.3Low49.4Very low79 Ų7989.1 Ų89.142%0.42245%0.452SS..Hα-helixtrans-68.4-37.6177.8-75.4-21000112.4E10 E11 F12 K17 L18E10-N14 VanDerWaalsContact O-CB 3.27Å; E10-N14 WeakPolarHBondContact O-CB 3.44Å; E10-N14 PolarHBondContact O-N 2.99Å; E10-N14 PolarHBondContact O-ND2 2.89Å; E11-N14 PolarHBondContact O-N 2.85Å; F12-N14 PolarHBondContact O-N 3.5Å; N14-K17 PolarHBondContact O-N 3.31Å; N14-L18 WeakPolarHBondContact O-CB 3.3Å; N14-L18 VanDerWaalsContact O-CG 3.28Å; N14-L18 WeakPolarHBondContact O-CG 3.33Å; N14-L18 PolarHBondContact O-N 2.87Å
15I55.5Low51Low111 Ų11188.2 Ų88.257%0.56945%0.45SS*.Hα-helixtrans-64.5-44.3174.4-67.3169.5000111.2E11 F12 K17 L18 S19E11-I15 PolarHBondContact O-N 3.47Å; E11-I15 VanDerWaalsContact O-N 3.07Å; F12-I15 PolarHBondContact O-N 2.87Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-L18 WeakPolarHBondContact O-CB 3.45Å; I15-L18 PolarHBondContact O-N 3.44Å; I15-S19 PolarHBondContact O-N 2.71Å
16V57.8Low53Low20 Ų2086.8 Ų86.812%0.12144%0.441CS..Hα-helixtrans-62.5-44.6174.7176.20000110.3F12 L13 L18 S19 L20 L56 L442F12-V16 HydrophobicContact CD1-CG2 4.37Å; F12-V16 HydrophobicContact CE1-CG2 3.96Å; F12-V16 HydrophobicContact CZ-CG2 4.29Å; F12-V16 PolarHBondContact O-N 3.09Å; F12-V16 VanDerWaalsContact O-N 3.13Å; L13-V16 PolarHBondContact O-N 3.16Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 3.49Å; V16-S19 PolarHBondContact O-N 3.35Å; V16-S19 VanDerWaalsContact O-N 3.17Å; V16-S19 PolarHBondContact O-OG 3.4Å; V16-L20 HydrophobicContact CG1-CD1 4.28Å; V16-L20 PolarHBondContact O-N 3.48Å; V16-L56 HydrophobicContact CB-CD2 4.19Å; V16-L56 HydrophobicContact CG1-CD2 3.78Å; V16-L442 HydrophobicContact CG1-CD1 4.3Å; V16-L442 HydrophobicContact CG1-CD2 3.98Å
17K57.6Low55.7Low76 Ų7680 Ų8033%0.3341%0.409SS..Hα-helixtrans-59-41.1176.4-75.6167.4-174.3172.80112.2L13 N14 I15 S19 L20 E21 G55L13-K17 WeakPolarHBondContact O-CB 3.39Å; L13-K17 WeakPolarHBondContact O-CD 3.27Å; L13-K17 WeakPolarHBondContact O-CG 3.29Å; L13-K17 PolarHBondContact O-N 2.85Å; N14-K17 PolarHBondContact O-N 3.31Å; I15-K17 VanDerWaalsContact C-N 3.34Å; K17-S19 VanDerWaalsContact C-N 3.32Å; K17-S19 PolarHBondContact O-N 3.28Å; K17-L20 CarbonylContact O-C 3.55Å; K17-L20 WeakPolarHBondContact O-CA 3.43Å; K17-L20 WeakPolarHBondContact O-CB 3.39Å; K17-L20 PolarHBondContact O-N 2.84Å; K17-E21 VanDerWaalsContact O-CG 3.24Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 3.39Å; K17-G55 WeakPolarHBondContact CE-O 3.46Å
18L54.2Low58.5Low104 Ų10476.5 Ų76.555%0.54539%0.386SS..Hα-helixtrans-57.8-41.7175.9-77.8163.8000112.1N14 I15 V16 L20 E21N14-L18 WeakPolarHBondContact O-CB 3.3Å; N14-L18 VanDerWaalsContact O-CG 3.28Å; N14-L18 WeakPolarHBondContact O-CG 3.33Å; N14-L18 PolarHBondContact O-N 2.87Å; I15-L18 WeakPolarHBondContact O-CB 3.45Å; I15-L18 PolarHBondContact O-N 3.44Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 3.49Å; L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 PolarHBondContact O-N 3.38Å; L18-E21 WeakPolarHBondContact O-CB 3.01Å; L18-E21 PolarHBondContact O-N 3.28Å; L18-E21 VanDerWaalsContact O-N 3.09Å
19S54.4Low61.4Low67 Ų6771 Ų7147%0.46936%0.36SS..Hα-helixtrans-66.8-28.4174.669.20000113.4I15 V16 K17 E21I15-S19 PolarHBondContact O-N 2.71Å; V16-S19 PolarHBondContact O-N 3.35Å; V16-S19 VanDerWaalsContact O-N 3.17Å; V16-S19 PolarHBondContact O-OG 3.4Å; K17-S19 VanDerWaalsContact C-N 3.32Å; K17-S19 PolarHBondContact O-N 3.28Å; S19-E21 VanDerWaalsContact C-N 3.34Å
20L58.3Low64.1Low14 Ų1468.4 Ų68.47%0.07334%0.342CS..Hα-helixtrans-81-14.4173.1-62.2168.1000112.5V16 K17 L18 E22 D23 L56 P58V16-L20 HydrophobicContact CG1-CD1 4.28Å; V16-L20 PolarHBondContact O-N 3.48Å; K17-L20 CarbonylContact O-C 3.55Å; K17-L20 WeakPolarHBondContact O-CA 3.43Å; K17-L20 WeakPolarHBondContact O-CB 3.39Å; K17-L20 PolarHBondContact O-N 2.84Å; L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 PolarHBondContact O-N 3.38Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.11Å; L20-D23 PolarHBondContact O-N 3.23Å; L20-L56 VanDerWaalsContact CD1-O 3.23Å; L20-L56 WeakPolarHBondContact CD1-O 3.22Å; L20-P58 HydrophobicContact CD2-CG 4.12Å
21E51.7Low66.5Low93 Ų9362.7 Ų62.744%0.43532%0.316SS..Hα-helixtrans-69.7-28.9-179.4-66.1-156.9135.800113K17 L18 S19 D23 K24K17-E21 VanDerWaalsContact O-CG 3.24Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 3.39Å; L18-E21 WeakPolarHBondContact O-CB 3.01Å; L18-E21 PolarHBondContact O-N 3.28Å; L18-E21 VanDerWaalsContact O-N 3.09Å; S19-E21 VanDerWaalsContact C-N 3.34Å; E21-D23 PolarHBondContact O-N 3.29Å; E21-K24 HydrophobicContact CB-CD 4.39Å; E21-K24 WeakPolarHBondContact O-CG 3.17Å; E21-K24 PolarHBondContact O-N 3.42Å; E21-K24 IonicContact OE1-NZ 3.49Å; E21-K24 PolarHBondContact OE1-NZ 3.01Å; E21-K24 IonicContact OE2-NZ 3.28Å
22E50.7Low69Low180 Ų18056.8 Ų56.884%0.84129%0.288SS*.THydrogen-bonded Turntrans-63.7-23.9173.8-74.3-171.8159.300112.4L20L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.11Å
23D58.2Low71.4Confident31 Ų3150.3 Ų50.317%0.16626%0.26CS..THydrogen-bonded Turntrans-103.114.8-176.4-146.40.2000113.5L20 E21 S25 H26 H28 N130L20-D23 PolarHBondContact O-N 3.23Å; E21-D23 PolarHBondContact O-N 3.29Å; D23-S25 PolarHBondContact O-N 3.11Å; D23-S25 VanDerWaalsContact O-N 3.11Å; D23-H26 PolarHBondContact O-N 3.48Å; D23-H26 WeakPolarHBondContact OD1-CB 3.34Å; D23-H26 IonicContact OD1-CE1 4Å; D23-H26 IonicContact OD1-CG 2.84Å; D23-H26 IonicContact OD1-ND1 3.94Å; D23-H26 PolarHBondContact OD1-ND1 3.03Å; D23-H28 IonicContact OD1-CE1 2.65Å; D23-H28 IonicContact OD1-NE2 3.98Å; D23-H28 IonicContact OD2-CD2 2.96Å; D23-H28 IonicContact OD2-CE1 3.27Å; D23-H28 PolarHBondContact OD2-CE1 2.65Å; D23-H28 VanDerWaalsContact OD2-CE1 3.27Å; D23-H28 IonicContact OD2-NE2 3.84Å; D23-H28 PolarHBondContact OD2-NE2 3.32Å; D23-N130 PolarHBondContact OD1-ND2 2.81Å; D23-N130 PolarHBondContact OD2-ND2 3.45Å
24K60.5Low73.4Confident108 Ų10848.4 Ų48.447%0.4725%0.251SS..THydrogen-bonded Turntrans-59.7-21.1178.3-82.1176.1-179.5169.10113.7E21E21-K24 HydrophobicContact CB-CD 4.39Å; E21-K24 WeakPolarHBondContact O-CG 3.17Å; E21-K24 PolarHBondContact O-N 3.42Å; E21-K24 IonicContact OE1-NZ 3.49Å; E21-K24 PolarHBondContact OE1-NZ 3.01Å; E21-K24 IonicContact OE2-NZ 3.28Å
25S69.3Low75.5Confident77 Ų7744.6 Ų44.654%0.53823%0.231SC..THydrogen-bonded Turntrans-76.1-31.6-178.854.80000113.3D23 R60D23-S25 PolarHBondContact O-N 3.11Å; D23-S25 VanDerWaalsContact O-N 3.11Å; S25-R60 PolarHBondContact O-NH1 3.07Å; S25-R60 VanDerWaalsContact O-NH1 3.11Å
26H82.6Confident77.4Confident48 Ų4840.6 Ų40.622%0.22221%0.213CC..SBendtrans-92.8152.3-171.9-58.3105.7000112.5D23 N130D23-H26 PolarHBondContact O-N 3.48Å; D23-H26 WeakPolarHBondContact OD1-CB 3.34Å; D23-H26 IonicContact OD1-CE1 4Å; D23-H26 IonicContact OD1-CG 2.84Å; D23-H26 IonicContact OD1-ND1 3.94Å; D23-H26 PolarHBondContact OD1-ND1 3.03Å; H26-N130 WeakPolarHBondContact CB-ND2 3.26Å
27V93.8Very high79.1Confident3 Ų341 Ų412%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-88.4138.3168.3177.40000107.7V29 R60 Y62 W125 V129 N130V27-V29 HydrophobicContact CG1-CG2 4.26Å; V27-R60 HydrophobicContact CG2-CB 4.43Å; V27-Y62 HydrophobicContact CG1-CD2 3.76Å; V27-Y62 HydrophobicContact CG1-CE2 3.86Å; V27-W125 HydrophobicContact CB-CB 4.42Å; V27-W125 HydrophobicContact CG1-CB 3.73Å; V27-W125 HydrophobicContact CG1-CG 3.78Å; V27-W125 HydrophobicContact CG2-CB 4.47Å; V27-V129 HydrophobicContact CB-CG1 4.29Å; V27-V129 HydrophobicContact CB-CG2 4.17Å; V27-V129 HydrophobicContact CG1-CG1 4.1Å; V27-V129 HydrophobicContact CG1-CG2 4.34Å; V27-V129 CarbonylContact O-C 3.53Å; V27-V129 WeakPolarHBondContact O-CA 3.4Å; V27-V129 WeakPolarHBondContact O-CG1 3.41Å; V27-N130 PolarHBondContact O-N 2.69Å
28H96.2Very high80.8Confident1 Ų141.4 Ų41.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-111.8130174-5771.8000109.6D23 P58 R60 T61 Y62 N130 W161 F445D23-H28 IonicContact OD1-CE1 2.65Å; D23-H28 IonicContact OD1-NE2 3.98Å; D23-H28 IonicContact OD2-CD2 2.96Å; D23-H28 IonicContact OD2-CE1 3.27Å; D23-H28 PolarHBondContact OD2-CE1 2.65Å; D23-H28 VanDerWaalsContact OD2-CE1 3.27Å; D23-H28 IonicContact OD2-NE2 3.84Å; D23-H28 PolarHBondContact OD2-NE2 3.32Å; H28-P58 WeakPolarHBondContact ND1-CB 3.12Å; H28-R60 PolarHBondContact N-O 3.3Å; H28-T61 HydrophobicContact CB-CG2 4.48Å; H28-T61 CarbonylContact O-C 3.53Å; H28-T61 WeakPolarHBondContact O-CA 3.23Å; H28-Y62 PolarHBondContact O-N 2.78Å; H28-N130 CarbonylContact C-O 3.38Å; H28-N130 WeakPolarHBondContact CA-O 3.29Å; H28-N130 PolarHBondContact NE2-ND2 3.41Å; H28-W161 AromaticContact CD2-CZ2 3.69Å; H28-F445 HydrophobicContact CB-CD1 4.44Å; H28-F445 HydrophobicContact CB-CE1 3.89Å
29V97.6Very high82.6Confident0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-121.4117.9174.2175.20000109V27 V31 Y62 V64 I121 W125 V129 N130 R131 I132V27-V29 HydrophobicContact CG1-CG2 4.26Å; V29-V31 HydrophobicContact CG1-CG2 4.04Å; V29-Y62 WeakPolarHBondContact CA-O 3.37Å; V29-V64 HydrophobicContact CG1-CG2 3.9Å; V29-I121 HydrophobicContact CG1-CD1 4.21Å; V29-I121 HydrophobicContact CG1-CG1 4.25Å; V29-I121 HydrophobicContact CG2-CG2 4.37Å; V29-W125 HydrophobicContact CG1-CZ3 4.18Å; V29-W125 HydrophobicContact CG2-CD2 3.89Å; V29-W125 HydrophobicContact CG2-CE3 3.46Å; V29-W125 VanDerWaalsContact CG2-CE3 3.46Å; V29-W125 HydrophobicContact CG2-CH2 4.39Å; V29-W125 HydrophobicContact CG2-CZ3 3.75Å; V29-V129 HydrophobicContact CB-CG1 3.86Å; V29-V129 HydrophobicContact CG2-CG1 3.46Å; V29-V129 VanDerWaalsContact CG2-CG1 3.46Å; V29-N130 PolarHBondContact N-O 2.99Å; V29-R131 WeakPolarHBondContact O-CA 3.36Å; V29-I132 PolarHBondContact O-N 3.41Å
30L98.3Very high84.5Confident0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-101.6113.4172.7-171.4160.4000109.2I32 L48 Y62 F63 V64 I132 I441 F445L30-I32 HydrophobicContact CD2-CD1 3.51Å; L30-I32 HydrophobicContact CD2-CG1 3.54Å; L30-L48 HydrophobicContact CD1-CD2 3.83Å; L30-L48 HydrophobicContact CD2-CD1 4.14Å; L30-Y62 PolarHBondContact N-O 3.31Å; L30-F63 HydrophobicContact CB-CD1 4.02Å; L30-F63 HydrophobicContact CB-CE1 4.4Å; L30-F63 WeakPolarHBondContact O-CA 3.46Å; L30-V64 PolarHBondContact O-N 2.96Å; L30-I132 CarbonylContact C-O 3.46Å; L30-I132 WeakPolarHBondContact CA-O 3.37Å; L30-I132 HydrophobicContact CB-CB 4.22Å; L30-I132 HydrophobicContact CD1-CB 4.35Å; L30-I132 HydrophobicContact CD1-CD1 4.25Å; L30-I132 HydrophobicContact CD1-CG2 4.12Å; L30-I132 HydrophobicContact CG-CB 3.95Å; L30-I132 HydrophobicContact CG-CG2 3.94Å; L30-I441 HydrophobicContact CD1-CG2 4.35Å; L30-F445 HydrophobicContact CB-CZ 4.41Å; L30-F445 HydrophobicContact CD1-CE2 3.82Å; L30-F445 HydrophobicContact CD1-CZ 3.95Å
31V98.4Very high86.3Confident0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-93.5116.5177.3-174.20000109.3V29 I33 V64 F66 L117 I121 I132 F133 Y134V29-V31 HydrophobicContact CG1-CG2 4.04Å; V31-I33 HydrophobicContact CG1-CG1 4.1Å; V31-I33 PolarHBondContact O-N 3.01Å; V31-V64 CarbonylContact C-O 3.54Å; V31-V64 VanDerWaalsContact CA-O 3.26Å; V31-V64 WeakPolarHBondContact CA-O 3.42Å; V31-V64 HydrophobicContact CG2-CB 4.32Å; V31-F66 HydrophobicContact CG1-CB 4.08Å; V31-L117 HydrophobicContact CG1-CD1 4.47Å; V31-L117 HydrophobicContact CG1-CD2 4.06Å; V31-I121 HydrophobicContact CG2-CD1 4Å; V31-I132 PolarHBondContact N-O 3.16Å; V31-F133 HydrophobicContact CB-CD1 3.64Å; V31-F133 HydrophobicContact CB-CE1 3.92Å; V31-F133 HydrophobicContact CB-CG 4.49Å; V31-F133 HydrophobicContact CG1-CD1 4.07Å; V31-F133 HydrophobicContact CG1-CE1 4.29Å; V31-F133 HydrophobicContact CG2-CD1 3.91Å; V31-F133 HydrophobicContact CG2-CE1 3.67Å; V31-F133 HydrophobicContact CG2-CZ 4.38Å; V31-Y134 PolarHBondContact O-N 2.83Å
32I98.6Very high88.3Confident0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-91.296.2175.7-54.185.8000108.3L30 A35 A40 T44 Y45 L48 F63 V64 F66 A136L30-I32 HydrophobicContact CD2-CD1 3.51Å; L30-I32 HydrophobicContact CD2-CG1 3.54Å; I32-A35 HydrophobicContact CB-CB 4.21Å; I32-A35 HydrophobicContact CG2-CB 4.14Å; I32-A35 WeakPolarHBondContact O-CB 3.4Å; I32-A35 PolarHBondContact O-N 3.5Å; I32-A40 HydrophobicContact CG2-CB 4.08Å; I32-T44 HydrophobicContact CG1-CG2 4.27Å; I32-T44 HydrophobicContact CG2-CG2 4.4Å; I32-Y45 HydrophobicContact CD1-CE1 4.1Å; I32-L48 HydrophobicContact CD1-CD1 4.11Å; I32-L48 HydrophobicContact CG1-CD1 4.27Å; I32-F63 HydrophobicContact CD1-CB 4.11Å; I32-V64 PolarHBondContact N-O 3.4Å; I32-F66 PolarHBondContact O-N 2.66Å; I32-A136 HydrophobicContact CG2-CB 4.41Å
33I98.2Very high90.3Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-77.8125174.9-51.8-177.3000107.4V31 F66 Y108 F133 Y134 Y135 A136 I137 V145 I149V31-I33 HydrophobicContact CG1-CG1 4.1Å; V31-I33 PolarHBondContact O-N 3.01Å; I33-F66 CarbonylContact C-O 3.6Å; I33-F66 WeakPolarHBondContact CA-O 3.46Å; I33-F66 HydrophobicContact CG2-CD1 4.15Å; I33-Y108 HydrophobicContact CG2-CD1 4.04Å; I33-Y108 HydrophobicContact CG2-CE1 3.69Å; I33-F133 HydrophobicContact CD1-CB 4.33Å; I33-F133 HydrophobicContact CD1-CD1 4.14Å; I33-Y134 PolarHBondContact N-O 3.11Å; I33-Y135 HydrophobicContact CD1-CD1 3.96Å; I33-Y135 HydrophobicContact CD1-CE1 3.78Å; I33-A136 CarbonylContact O-C 3.57Å; I33-A136 WeakPolarHBondContact O-CA 3.4Å; I33-A136 WeakPolarHBondContact O-CB 3.41Å; I33-A136 PolarHBondContact O-N 2.79Å; I33-I137 HydrophobicContact CB-CD1 4.42Å; I33-I137 HydrophobicContact CB-CG2 4.42Å; I33-I137 HydrophobicContact CG2-CD1 3.7Å; I33-I137 HydrophobicContact CG2-CG2 3.75Å; I33-I137 WeakPolarHBondContact O-CG2 3.4Å; I33-V145 HydrophobicContact CD1-CG1 3.48Å; I33-V145 VanDerWaalsContact CD1-CG1 3.48Å; I33-V145 HydrophobicContact CG2-CG1 4.36Å; I33-I149 HydrophobicContact CD1-CD1 3.65Å
34G97Very high92.1Very high4 Ų430.1 Ų30.14%0.04116%0.16CC..THydrogen-bonded Turntrans87.423.6-168.600000114.2S36 G37 F66 Y108G34-S36 PolarHBondContact O-N 2.93Å; G34-G37 PolarHBondContact O-N 3.32Å; G34-F66 PolarHBondContact N-O 3.41Å; G34-Y108 VanDerWaalsContact CA-OH 3.25Å; G34-Y108 WeakPolarHBondContact CA-OH 3.15Å; G34-Y108 PolarHBondContact N-OH 2.9Å
35A97.5Very high93.8Very high0 Ų025 Ų250%014%0.138CC..THydrogen-bonded Turntrans-55.3-24.9-177.300000115.6I32 G37 A40 Y45 I76 Y103I32-A35 HydrophobicContact CB-CB 4.21Å; I32-A35 HydrophobicContact CG2-CB 4.14Å; I32-A35 WeakPolarHBondContact O-CB 3.4Å; I32-A35 PolarHBondContact O-N 3.5Å; A35-G37 VanDerWaalsContact C-N 3.28Å; A35-G37 PolarHBondContact O-N 2.94Å; A35-A40 WeakPolarHBondContact O-CB 3.45Å; A35-Y45 HydrophobicContact CB-CE2 4.1Å; A35-Y45 WeakPolarHBondContact CB-OH 3.29Å; A35-I76 HydrophobicContact CB-CD1 3.98Å; A35-Y103 HydrophobicContact CB-CE2 4.41Å
36S95.2Very high95.1Very high27 Ų2721.4 Ų21.419%0.18911%0.113CC..THydrogen-bonded Turntrans-78.4-11.5176.7650000114G34 K41 A67 S69G34-S36 PolarHBondContact O-N 2.93Å; S36-K41 VanDerWaalsContact O-CE 3.26Å; S36-K41 WeakPolarHBondContact O-CE 3.4Å; S36-K41 PolarHBondContact O-NZ 2.94Å; S36-A67 WeakPolarHBondContact OG-CB 3.28Å; S36-S69 WeakPolarHBondContact CB-OG 3.18Å; S36-S69 PolarHBondContact OG-OG 2.85Å
37G94.1Very high95.7Very high28 Ų2819.1 Ų19.129%0.28910%0.102SC..SBendtrans-78.4168.4-173.600000115.2G34 A35 A40 K41G34-G37 PolarHBondContact O-N 3.32Å; A35-G37 VanDerWaalsContact C-N 3.28Å; A35-G37 PolarHBondContact O-N 2.94Å; G37-A40 PolarHBondContact O-N 3.24Å; G37-K41 PolarHBondContact O-N 3.43Å; G37-K41 VanDerWaalsContact O-N 3.16Å
38D91.7Very high95.9Very high85 Ų8519 Ų1946%0.45510%0.101SC..Hα-helixtrans-63.9-43.1-176.5-114.711.3000112.6A40 K41 K42 R243D38-A40 VanDerWaalsContact C-N 3.34Å; D38-A40 PolarHBondContact O-N 3.35Å; D38-K41 PolarHBondContact O-N 3.41Å; D38-K42 HydrophobicContact CB-CD 4.42Å; D38-K42 WeakPolarHBondContact O-CB 3.29Å; D38-K42 WeakPolarHBondContact O-CG 3.46Å; D38-K42 PolarHBondContact O-N 2.96Å; D38-K42 VanDerWaalsContact OD1-CE 3.29Å; D38-K42 WeakPolarHBondContact OD1-CE 3.3Å; D38-K42 IonicContact OD1-NZ 2.8Å; D38-K42 PolarHBondContact OD1-NZ 2.71Å; D38-K42 IonicContact OD2-NZ 3.28Å; D38-K42 PolarHBondContact OD2-NZ 3.02Å; D38-R243 IonicContact OD2-NH2 2.69Å; D38-R243 PolarHBondContact OD2-NH2 2.82Å
39L92.6Very high95.9Very high54 Ų5419.1 Ų19.128%0.28310%0.102SC..Hα-helixtrans-60.8-45.3178.3-179.265.5000110.9K43 T44 Y134 A136 E167L39-K43 HydrophobicContact CD1-CB 4.11Å; L39-K43 WeakPolarHBondContact O-CA 3.39Å; L39-K43 WeakPolarHBondContact O-CB 3.5Å; L39-K43 PolarHBondContact O-N 3.05Å; L39-T44 PolarHBondContact O-N 3.31Å; L39-T44 VanDerWaalsContact O-N 3.09Å; L39-Y134 HydrophobicContact CD2-CE1 4.44Å; L39-A136 HydrophobicContact CD2-CB 4.13Å; L39-E167 HydrophobicContact CD2-CG 3.98Å
40A95.1Very high95.7Very high0 Ų020 Ų200%011%0.105CC..Iπ-helixtrans-59.9-52.1179.400000111.6I32 A35 G37 D38 T44 Y45 A136I32-A40 HydrophobicContact CG2-CB 4.08Å; A35-A40 WeakPolarHBondContact O-CB 3.45Å; G37-A40 PolarHBondContact O-N 3.24Å; D38-A40 VanDerWaalsContact C-N 3.34Å; D38-A40 PolarHBondContact O-N 3.35Å; A40-T44 PolarHBondContact O-N 2.94Å; A40-Y45 HydrophobicContact CB-CD2 4.18Å; A40-Y45 HydrophobicContact CB-CE2 4.17Å; A40-Y45 WeakPolarHBondContact O-CD2 3.44Å; A40-Y45 PolarHBondContact O-N 2.88Å; A40-A136 HydrophobicContact CB-CB 4.46Å
41K94.8Very high95.6Very high49 Ų4920.1 Ų20.121%0.21311%0.106CC..Iπ-helixtrans-69.6-38.7-176.9-68.6172.6177.5168.60113.6S36 G37 D38 P46 S80 F83S36-K41 VanDerWaalsContact O-CE 3.26Å; S36-K41 WeakPolarHBondContact O-CE 3.4Å; S36-K41 PolarHBondContact O-NZ 2.94Å; G37-K41 PolarHBondContact O-N 3.43Å; G37-K41 VanDerWaalsContact O-N 3.16Å; D38-K41 PolarHBondContact O-N 3.41Å; K41-P46 WeakPolarHBondContact O-CD 3.32Å; K41-P46 WeakPolarHBondContact O-CG 3.46Å; K41-S80 WeakPolarHBondContact CA-OG 3.3Å; K41-F83 WeakPolarHBondContact O-CD2 3.27Å
42K94.2Very high95.4Very high80 Ų8022.3 Ų22.335%0.34812%0.116SC..Iπ-helixtrans-85.7-26.5-174-63178.7175.7171.20113.4D38 F83D38-K42 HydrophobicContact CB-CD 4.42Å; D38-K42 WeakPolarHBondContact O-CB 3.29Å; D38-K42 WeakPolarHBondContact O-CG 3.46Å; D38-K42 PolarHBondContact O-N 2.96Å; D38-K42 VanDerWaalsContact OD1-CE 3.29Å; D38-K42 WeakPolarHBondContact OD1-CE 3.3Å; D38-K42 IonicContact OD1-NZ 2.8Å; D38-K42 PolarHBondContact OD1-NZ 2.71Å; D38-K42 IonicContact OD2-NZ 3.28Å; D38-K42 PolarHBondContact OD2-NZ 3.02Å; K42-F83 HydrophobicContact CB-CD2 4.45Å; K42-F83 HydrophobicContact CB-CE1 4.5Å; K42-F83 HydrophobicContact CB-CE2 4.32Å; K42-F83 HydrophobicContact CB-CZ 4.35Å; K42-F83 HydrophobicContact CD-CZ 4.23Å; K42-F83 HydrophobicContact CG-CD2 4.22Å; K42-F83 HydrophobicContact CG-CE1 4.12Å; K42-F83 HydrophobicContact CG-CE2 3.63Å; K42-F83 HydrophobicContact CG-CZ 3.57Å
43K92.9Very high95.1Very high68 Ų6825.6 Ų25.630%0.29613%0.128SC..Iπ-helixtrans-132.3-56.1-171.7-78.8-66.9-161.5167.70113.3L39 T47 D435 Y437L39-K43 HydrophobicContact CD1-CB 4.11Å; L39-K43 WeakPolarHBondContact O-CA 3.39Å; L39-K43 WeakPolarHBondContact O-CB 3.5Å; L39-K43 PolarHBondContact O-N 3.05Å; K43-T47 VanDerWaalsContact O-CB 3.24Å; K43-T47 WeakPolarHBondContact O-CB 3.38Å; K43-T47 PolarHBondContact O-N 2.74Å; K43-T47 PolarHBondContact O-OG1 3.4Å; K43-D435 VanDerWaalsContact NZ-CG 3.33Å; K43-D435 IonicContact NZ-OD1 3.96Å; K43-D435 PolarHBondContact NZ-OD1 2.71Å; K43-D435 IonicContact NZ-OD2 2.76Å; K43-D435 PolarHBondContact NZ-OD2 3.09Å; K43-Y437 HydrophobicContact CD-CD2 4.35Å
44T95.7Very high94.8Very high0 Ų027.9 Ų27.90%014%0.14CC..Iπ-helixtrans-63.9-57.9-171.6-44.10000112.6I32 L39 A40 T47 L48 Y134I32-T44 HydrophobicContact CG1-CG2 4.27Å; I32-T44 HydrophobicContact CG2-CG2 4.4Å; L39-T44 PolarHBondContact O-N 3.31Å; L39-T44 VanDerWaalsContact O-N 3.09Å; A40-T44 PolarHBondContact O-N 2.94Å; T44-T47 WeakPolarHBondContact O-CB 3.23Å; T44-T47 PolarHBondContact O-N 3.48Å; T44-T47 VanDerWaalsContact O-N 3.14Å; T44-L48 HydrophobicContact CG2-CD1 4.18Å; T44-L48 WeakPolarHBondContact O-CG 3.43Å; T44-L48 PolarHBondContact O-N 3.1Å; T44-Y134 HydrophobicContact CG2-CD2 4.01Å; T44-Y134 HydrophobicContact CG2-CE2 4.02Å; T44-Y134 HydrophobicContact CG2-CG 4.3Å
45Y97.2Very high94.5Very high2 Ų229.4 Ų29.41%0.00816%0.155CC..Hα-helixtrans-61-44.9179.2-78.3-72.6000113.3I32 A35 A40 T47 L48 W49 G65 I76 F97 W98 N101I32-Y45 HydrophobicContact CD1-CE1 4.1Å; A35-Y45 HydrophobicContact CB-CE2 4.1Å; A35-Y45 WeakPolarHBondContact CB-OH 3.29Å; A40-Y45 HydrophobicContact CB-CD2 4.18Å; A40-Y45 HydrophobicContact CB-CE2 4.17Å; A40-Y45 WeakPolarHBondContact O-CD2 3.44Å; A40-Y45 PolarHBondContact O-N 2.88Å; Y45-T47 VanDerWaalsContact C-N 3.27Å; Y45-T47 PolarHBondContact O-N 3.35Å; Y45-L48 PolarHBondContact O-N 2.86Å; Y45-W49 WeakPolarHBondContact O-CB 3.37Å; Y45-W49 PolarHBondContact O-N 3.01Å; Y45-G65 WeakPolarHBondContact OH-CA 3.4Å; Y45-I76 HydrophobicContact CD1-CG2 4.49Å; Y45-I76 HydrophobicContact CD2-CG2 3.63Å; Y45-I76 HydrophobicContact CE1-CG2 4.21Å; Y45-I76 HydrophobicContact CE2-CG2 3.28Å; Y45-I76 HydrophobicContact CG-CG2 4.23Å; Y45-F97 HydrophobicContact CD1-CZ 4.49Å; Y45-W98 AromaticContact CD1-CH2 3.94Å; Y45-W98 HydrophobicContact CD1-CH2 3.94Å; Y45-W98 HydrophobicContact CD1-CZ3 4.3Å; Y45-W98 HydrophobicContact CE1-CH2 4.42Å; Y45-W98 HydrophobicContact CE1-CZ3 4.37Å; Y45-W98 HydrophobicContact CG-CH2 4.26Å; Y45-N101 VanDerWaalsContact CE1-OD1 3.3Å; Y45-N101 WeakPolarHBondContact CE1-OD1 3.39Å
46P95.9Very high94.3Very high1 Ų130.3 Ų30.31%0.00616%0.16CC..Hα-helixtrans-55.9-40.9172.1-29.136.6000113.4K41 W49 W50 F83K41-P46 WeakPolarHBondContact O-CD 3.32Å; K41-P46 WeakPolarHBondContact O-CG 3.46Å; P46-W49 WeakPolarHBondContact O-CB 3.43Å; P46-W49 PolarHBondContact O-N 3.32Å; P46-W50 HydrophobicContact CB-CH2 4.02Å; P46-W50 HydrophobicContact CB-CZ2 3.83Å; P46-W50 PolarHBondContact O-N 3.17Å; P46-F83 HydrophobicContact CB-CB 4.26Å; P46-F83 HydrophobicContact CG-CB 3.53Å
47T95.9Very high94.2Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-65-46.3177.8-590000111.7K43 T44 Y45 W49 W50 L51 Y437 E438 I441K43-T47 VanDerWaalsContact O-CB 3.24Å; K43-T47 WeakPolarHBondContact O-CB 3.38Å; K43-T47 PolarHBondContact O-N 2.74Å; K43-T47 PolarHBondContact O-OG1 3.4Å; T44-T47 WeakPolarHBondContact O-CB 3.23Å; T44-T47 PolarHBondContact O-N 3.48Å; T44-T47 VanDerWaalsContact O-N 3.14Å; Y45-T47 VanDerWaalsContact C-N 3.27Å; Y45-T47 PolarHBondContact O-N 3.35Å; T47-W49 VanDerWaalsContact C-N 3.28Å; T47-W49 PolarHBondContact O-N 3.13Å; T47-W50 PolarHBondContact O-N 3.34Å; T47-W50 VanDerWaalsContact O-N 3.14Å; T47-L51 HydrophobicContact CG2-CD1 4.36Å; T47-L51 WeakPolarHBondContact O-CG 3.48Å; T47-L51 PolarHBondContact O-N 2.51Å; T47-Y437 VanDerWaalsContact CG2-C 3.43Å; T47-E438 VanDerWaalsContact CG2-CA 3.44Å; T47-E438 HydrophobicContact CG2-CB 4.2Å; T47-E438 HydrophobicContact CG2-CG 3.8Å; T47-E438 VanDerWaalsContact CG2-N 3.34Å; T47-I441 HydrophobicContact CG2-CD1 3.77Å
48L97Very high94Very high0 Ų028.5 Ų28.50%014%0.142CC..Hα-helixtrans-61.9-39.1177.2-65174.9000111.6L30 I32 T44 Y45 L51 F52 F63 F97 I441L30-L48 HydrophobicContact CD1-CD2 3.83Å; L30-L48 HydrophobicContact CD2-CD1 4.14Å; I32-L48 HydrophobicContact CD1-CD1 4.11Å; I32-L48 HydrophobicContact CG1-CD1 4.27Å; T44-L48 HydrophobicContact CG2-CD1 4.18Å; T44-L48 WeakPolarHBondContact O-CG 3.43Å; T44-L48 PolarHBondContact O-N 3.1Å; Y45-L48 PolarHBondContact O-N 2.86Å; L48-L51 PolarHBondContact O-N 2.95Å; L48-F52 VanDerWaalsContact O-CB 3.3Å; L48-F52 WeakPolarHBondContact O-CB 3.49Å; L48-F52 PolarHBondContact O-N 3.47Å; L48-F63 HydrophobicContact CB-CE1 4.14Å; L48-F63 HydrophobicContact CB-CZ 4.33Å; L48-F63 HydrophobicContact CD1-CD1 3.73Å; L48-F63 HydrophobicContact CD1-CE1 3.89Å; L48-F63 HydrophobicContact CD2-CD1 4.48Å; L48-F63 HydrophobicContact CD2-CE1 3.86Å; L48-F63 HydrophobicContact CG-CD1 4.5Å; L48-F63 HydrophobicContact CG-CE1 4.17Å; L48-F97 HydrophobicContact CB-CE2 4.04Å; L48-F97 HydrophobicContact CB-CZ 4.09Å; L48-I441 HydrophobicContact CD2-CD1 4.17Å; L48-I441 HydrophobicContact CD2-CG2 3.84Å
49W95.7Very high93.9Very high4 Ų429.5 Ų29.52%0.01515%0.153CC..Hα-helixtrans-59.9-47.1171.9161-118.7000111.8Y45 P46 T47 L51 F52 R53 L86 K93 Y94 F97Y45-W49 WeakPolarHBondContact O-CB 3.37Å; Y45-W49 PolarHBondContact O-N 3.01Å; P46-W49 WeakPolarHBondContact O-CB 3.43Å; P46-W49 PolarHBondContact O-N 3.32Å; T47-W49 VanDerWaalsContact C-N 3.28Å; T47-W49 PolarHBondContact O-N 3.13Å; W49-L51 PolarHBondContact O-N 2.89Å; W49-F52 HydrophobicContact CE3-CD1 4.36Å; W49-F52 HydrophobicContact CZ3-CD1 4.11Å; W49-F52 PolarHBondContact O-N 3.07Å; W49-R53 HydrophobicContact CD2-CB 4.33Å; W49-R53 HydrophobicContact CE3-CB 4.27Å; W49-R53 HydrophobicContact CH2-CB 3.95Å; W49-R53 HydrophobicContact CH2-CG 4.09Å; W49-R53 HydrophobicContact CZ2-CB 4.02Å; W49-R53 HydrophobicContact CZ2-CG 4.01Å; W49-R53 HydrophobicContact CZ3-CB 4.06Å; W49-R53 VanDerWaalsContact O-CB 3.27Å; W49-R53 WeakPolarHBondContact O-CB 3.24Å; W49-R53 PolarHBondContact O-N 2.92Å; W49-L86 HydrophobicContact CZ2-CD2 3.61Å; W49-K93 HydrophobicContact CH2-CB 3.79Å; W49-K93 VanDerWaalsContact CZ3-C 3.47Å; W49-K93 HydrophobicContact CZ3-CB 4.1Å; W49-K93 VanDerWaalsContact CZ3-O 3.29Å; W49-K93 WeakPolarHBondContact CZ3-O 3.24Å; W49-Y94 AromaticContact CD2-CD2 3.59Å; W49-Y94 HydrophobicContact CD2-CD2 3.59Å; W49-Y94 HydrophobicContact CD2-CE2 4.11Å; W49-Y94 AromaticContact CE2-CD2 3.64Å; W49-Y94 AromaticContact CE3-CD2 3.77Å; W49-Y94 HydrophobicContact CE3-CD2 3.77Å; W49-Y94 HydrophobicContact CG-CD2 4.14Å; W49-Y94 HydrophobicContact CG-CE2 4.18Å; W49-Y94 VanDerWaalsContact CH2-CA 3.43Å; W49-Y94 HydrophobicContact CH2-CD2 4.04Å; W49-Y94 HydrophobicContact CH2-CG 4.37Å; W49-Y94 VanDerWaalsContact CH2-N 3.29Å; W49-Y94 AromaticContact CZ2-CD2 3.86Å; W49-Y94 HydrophobicContact CZ2-CD2 3.86Å; W49-Y94 HydrophobicContact CZ2-CG 4.37Å; W49-Y94 HydrophobicContact CZ3-CD2 4.02Å; W49-F97 HydrophobicContact CB-CD1 4.26Å; W49-F97 HydrophobicContact CB-CE1 4.03Å; W49-F97 HydrophobicContact CB-CE2 4.49Å; W49-F97 HydrophobicContact CB-CZ 4.14Å; W49-F97 HydrophobicContact CE3-CB 3.67Å; W49-F97 HydrophobicContact CE3-CD1 4.12Å; W49-F97 HydrophobicContact CE3-CD2 4.41Å; W49-F97 AromaticContact CE3-CG 3.81Å; W49-F97 HydrophobicContact CE3-CG 3.81Å; W49-F97 HydrophobicContact CZ3-CB 3.86Å
50W94.9Very high93.9Very high18 Ų1832.2 Ų32.27%0.06816%0.159CC..Hα-helixtrans-61.8-44.3179.9-58.7-31.2000111.9P46 T47 F52 R53 D54 F83 A84 K85 D435 E438P46-W50 HydrophobicContact CB-CH2 4.02Å; P46-W50 HydrophobicContact CB-CZ2 3.83Å; P46-W50 PolarHBondContact O-N 3.17Å; T47-W50 PolarHBondContact O-N 3.34Å; T47-W50 VanDerWaalsContact O-N 3.14Å; W50-F52 PolarHBondContact O-N 3.02Å; W50-R53 PolarHBondContact O-N 2.68Å; W50-D54 WeakPolarHBondContact O-CB 3.41Å; W50-D54 PolarHBondContact O-N 3.28Å; W50-F83 WeakPolarHBondContact CZ2-O 3.28Å; W50-A84 PolarHBondContact NE1-O 2.77Å; W50-K85 HydrophobicContact CZ2-CD 4.3Å; W50-D435 HydrophobicContact CZ3-CB 4.28Å; W50-E438 HydrophobicContact CB-CG 4.33Å; W50-E438 VanDerWaalsContact CB-OE2 3.26Å; W50-E438 WeakPolarHBondContact CB-OE2 3.45Å; W50-E438 VanDerWaalsContact CE3-CD 3.47Å; W50-E438 HydrophobicContact CE3-CG 3.63Å; W50-E438 HydrophobicContact CZ3-CG 4.38Å
51L94.8Very high93.9Very high2 Ų232.4 Ų32.41%0.0116%0.161CC..Hα-helixtrans-62.1-42.3175.1-66.9174.8000112.2T47 L48 W49 G55 L56 L57 E438 I441 L442T47-L51 HydrophobicContact CG2-CD1 4.36Å; T47-L51 WeakPolarHBondContact O-CG 3.48Å; T47-L51 PolarHBondContact O-N 2.51Å; L48-L51 PolarHBondContact O-N 2.95Å; W49-L51 PolarHBondContact O-N 2.89Å; L51-G55 PolarHBondContact O-N 3.17Å; L51-L56 HydrophobicContact CB-CB 4.47Å; L51-L56 HydrophobicContact CD2-CB 4.05Å; L51-L56 HydrophobicContact CD2-CD1 3.96Å; L51-L56 PolarHBondContact O-N 3.27Å; L51-L57 HydrophobicContact CB-CD1 4.13Å; L51-L57 HydrophobicContact CB-CD2 3.83Å; L51-L57 HydrophobicContact CB-CG 3.8Å; L51-L57 HydrophobicContact CD1-CD2 4.08Å; L51-E438 HydrophobicContact CD2-CB 4.21Å; L51-I441 HydrophobicContact CD1-CB 3.97Å; L51-I441 HydrophobicContact CD1-CG2 3.78Å; L51-L442 HydrophobicContact CD2-CB 4.26Å
52F94.8Very high94.1Very high47 Ų4733 Ų3321%0.20616%0.162CC..Hα-helixtrans-64-48.4176.5-175.5-86.9000111.9L48 W49 W50 D54 G55 L57 E96 F97L48-F52 VanDerWaalsContact O-CB 3.3Å; L48-F52 WeakPolarHBondContact O-CB 3.49Å; L48-F52 PolarHBondContact O-N 3.47Å; W49-F52 HydrophobicContact CE3-CD1 4.36Å; W49-F52 HydrophobicContact CZ3-CD1 4.11Å; W49-F52 PolarHBondContact O-N 3.07Å; W50-F52 PolarHBondContact O-N 3.02Å; F52-D54 VanDerWaalsContact C-N 3.25Å; F52-D54 PolarHBondContact O-N 2.9Å; F52-G55 PolarHBondContact O-N 3.33Å; F52-L57 HydrophobicContact CB-CD1 4.04Å; F52-L57 HydrophobicContact CD2-CD1 4.49Å; F52-E96 HydrophobicContact CE1-CB 4.24Å; F52-E96 HydrophobicContact CZ-CB 4.29Å; F52-F97 HydrophobicContact CB-CD2 3.77Å; F52-F97 HydrophobicContact CB-CE2 4.38Å; F52-F97 HydrophobicContact CD1-CB 3.71Å; F52-F97 HydrophobicContact CD1-CD2 4.2Å; F52-F97 HydrophobicContact CD1-CG 4.41Å; F52-F97 HydrophobicContact CD2-CD2 4.12Å; F52-F97 HydrophobicContact CE1-CB 3.88Å; F52-F97 HydrophobicContact CG-CB 4.17Å; F52-F97 AromaticContact CG-CD2 3.77Å; F52-F97 HydrophobicContact CG-CD2 3.77Å; F52-F97 HydrophobicContact CG-CG 4.43Å; F52-F97 HydrophobicContact CZ-CB 4.46Å
53R92.9Very high94.3Very high69 Ų6929.2 Ų29.226%0.2615%0.146SC..Hα-helixtrans-55.3-43.4179.1-179.5-16268.1-160.6-5.7111.5W49 W50 G55 K93W49-R53 HydrophobicContact CD2-CB 4.33Å; W49-R53 HydrophobicContact CE3-CB 4.27Å; W49-R53 HydrophobicContact CH2-CB 3.95Å; W49-R53 HydrophobicContact CH2-CG 4.09Å; W49-R53 HydrophobicContact CZ2-CB 4.02Å; W49-R53 HydrophobicContact CZ2-CG 4.01Å; W49-R53 HydrophobicContact CZ3-CB 4.06Å; W49-R53 VanDerWaalsContact O-CB 3.27Å; W49-R53 WeakPolarHBondContact O-CB 3.24Å; W49-R53 PolarHBondContact O-N 2.92Å; W50-R53 PolarHBondContact O-N 2.68Å; R53-G55 VanDerWaalsContact C-N 3.25Å; R53-G55 PolarHBondContact O-N 2.7Å; R53-K93 PolarHBondContact O-NZ 2.87Å
54D90.8Very high94.6Very high48 Ų4826 Ų2626%0.25713%0.132SC..THydrogen-bonded Turntrans-83.1-1.1-176.1-61-18.2000112.4W50 F52 L56W50-D54 WeakPolarHBondContact O-CB 3.41Å; W50-D54 PolarHBondContact O-N 3.28Å; F52-D54 VanDerWaalsContact C-N 3.25Å; F52-D54 PolarHBondContact O-N 2.9Å; D54-L56 VanDerWaalsContact C-N 3.3Å; D54-L56 HydrophobicContact CB-CD1 4.12Å; D54-L56 HydrophobicContact CB-CG 4.17Å; D54-L56 PolarHBondContact O-N 2.85Å
55G91.9Very high94.7Very high35 Ų3526 Ų2636%0.36113%0.132SC..THydrogen-bonded Turntrans66.932.7177.700000112.9K17 L51 F52 R53K17-G55 WeakPolarHBondContact CE-O 3.46Å; L51-G55 PolarHBondContact O-N 3.17Å; F52-G55 PolarHBondContact O-N 3.33Å; R53-G55 VanDerWaalsContact C-N 3.25Å; R53-G55 PolarHBondContact O-N 2.7Å
56L91.8Very high94.7Very high19 Ų1925.9 Ų25.910%0.09913%0.131CC..  trans-96.82.2-178.1-73178.2000113.3L13 V16 L20 L51 D54 L442L13-L56 HydrophobicContact CD2-CD1 3.9Å; L13-L56 HydrophobicContact CD2-CD2 3.42Å; L13-L56 VanDerWaalsContact CD2-CD2 3.42Å; L13-L56 HydrophobicContact CD2-CG 3.81Å; V16-L56 HydrophobicContact CB-CD2 4.19Å; V16-L56 HydrophobicContact CG1-CD2 3.78Å; L20-L56 VanDerWaalsContact CD1-O 3.23Å; L20-L56 WeakPolarHBondContact CD1-O 3.22Å; L51-L56 HydrophobicContact CB-CB 4.47Å; L51-L56 HydrophobicContact CD2-CB 4.05Å; L51-L56 HydrophobicContact CD2-CD1 3.96Å; L51-L56 PolarHBondContact O-N 3.27Å; D54-L56 VanDerWaalsContact C-N 3.3Å; D54-L56 HydrophobicContact CB-CD1 4.12Å; D54-L56 HydrophobicContact CB-CG 4.17Å; D54-L56 PolarHBondContact O-N 2.85Å; L56-L442 HydrophobicContact CB-CD1 4.39Å; L56-L442 WeakPolarHBondContact O-CD1 3.33Å
57L92.9Very high94.8Very high13 Ų1325.9 Ų25.97%0.06813%0.131CC..SBendtrans-104.8151.1174.7-60.4178.6000109.9L51 F52 T61 F63 F445L51-L57 HydrophobicContact CB-CD1 4.13Å; L51-L57 HydrophobicContact CB-CD2 3.83Å; L51-L57 HydrophobicContact CB-CG 3.8Å; L51-L57 HydrophobicContact CD1-CD2 4.08Å; F52-L57 HydrophobicContact CB-CD1 4.04Å; F52-L57 HydrophobicContact CD2-CD1 4.49Å; L57-T61 HydrophobicContact CD1-CG2 4.33Å; L57-F63 HydrophobicContact CD1-CE1 4.33Å; L57-F63 HydrophobicContact CD1-CZ 3.65Å; L57-F445 HydrophobicContact CD2-CD2 3.95Å; L57-F445 HydrophobicContact CD2-CE2 3.72Å; L57-F445 HydrophobicContact CD2-CG 4.47Å; L57-F445 HydrophobicContact CD2-CZ 4.03Å
58P91.4Very high94.8Very high4 Ų433.4 Ų33.43%0.02616%0.16CC..  trans-51140168.3-25.533.4000111L20 H28 R60 T61 F445L20-P58 HydrophobicContact CD2-CG 4.12Å; H28-P58 WeakPolarHBondContact ND1-CB 3.12Å; P58-R60 PolarHBondContact O-N 2.81Å; P58-T61 WeakPolarHBondContact O-CB 3.31Å; P58-T61 PolarHBondContact O-N 2.93Å; P58-T61 PolarHBondContact O-OG1 3.25Å; P58-F445 HydrophobicContact CG-CD1 3.95Å
59P88.1Confident94.7Very high106 Ų10635.7 Ų35.769%0.68818%0.175SC*.THydrogen-bonded Turntrans-57-28.3-174.1-27.934.5000114.9
60R93.1Very high94.7Very high111 Ų11141.6 Ų41.642%0.41921%0.207SC..THydrogen-bonded Turntrans-102.650.1-179.1-61177.971.8-164.12.4111.6S25 V27 H28 P58 Y62S25-R60 PolarHBondContact O-NH1 3.07Å; S25-R60 VanDerWaalsContact O-NH1 3.11Å; V27-R60 HydrophobicContact CG2-CB 4.43Å; H28-R60 PolarHBondContact N-O 3.3Å; P58-R60 PolarHBondContact O-N 2.81Å; R60-Y62 HydrophobicContact CB-CE2 4.49Å
61T96.2Very high94.7Very high5 Ų543 Ų433%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-99.2130.8178.4-59.50000111.6H28 L57 P58 F63 F445H28-T61 HydrophobicContact CB-CG2 4.48Å; H28-T61 CarbonylContact O-C 3.53Å; H28-T61 WeakPolarHBondContact O-CA 3.23Å; L57-T61 HydrophobicContact CD1-CG2 4.33Å; P58-T61 WeakPolarHBondContact O-CB 3.31Å; P58-T61 PolarHBondContact O-N 2.93Å; P58-T61 PolarHBondContact O-OG1 3.25Å; T61-F63 HydrophobicContact CG2-CE1 3.81Å; T61-F63 HydrophobicContact CG2-CE2 4.42Å; T61-F63 HydrophobicContact CG2-CZ 3.73Å; T61-F445 HydrophobicContact CG2-CE1 3.91Å; T61-F445 HydrophobicContact CG2-CZ 3.88Å
62Y98Very high94.6Very high62 Ų6244.3 Ų44.324%0.24323%0.23CC..EExtended strand (participates in β ladder)trans-128.4154.2177-56.1-87.9000111.3V27 H28 V29 L30 R60 C100 F102 W125V27-Y62 HydrophobicContact CG1-CD2 3.76Å; V27-Y62 HydrophobicContact CG1-CE2 3.86Å; H28-Y62 PolarHBondContact O-N 2.78Å; V29-Y62 WeakPolarHBondContact CA-O 3.37Å; L30-Y62 PolarHBondContact N-O 3.31Å; R60-Y62 HydrophobicContact CB-CE2 4.49Å; Y62-C100 HydrophobicContact CD1-CB 4.12Å; Y62-F102 HydrophobicContact CD1-CE2 4.23Å; Y62-W125 AromaticContact CD1-CE2 3.92Å; Y62-W125 AromaticContact CD1-CZ2 3.79Å; Y62-W125 HydrophobicContact CD1-CZ2 3.79Å; Y62-W125 AromaticContact CD1-NE1 3.57Å; Y62-W125 AromaticContact CD2-CD1 3.67Å; Y62-W125 HydrophobicContact CD2-CD2 4.28Å; Y62-W125 AromaticContact CD2-CE2 3.61Å; Y62-W125 HydrophobicContact CD2-CG 4.31Å; Y62-W125 HydrophobicContact CD2-CZ2 4.1Å; Y62-W125 AromaticContact CD2-NE1 3.17Å; Y62-W125 AromaticContact CE1-NE1 3.63Å; Y62-W125 AromaticContact CE2-CD1 3.5Å; Y62-W125 VanDerWaalsContact CE2-CD1 3.5Å; Y62-W125 HydrophobicContact CE2-CG 4.46Å; Y62-W125 AromaticContact CE2-NE1 3.23Å; Y62-W125 HydrophobicContact CG-CD2 4.47Å; Y62-W125 AromaticContact CG-CE2 3.47Å; Y62-W125 VanDerWaalsContact CG-CE2 3.47Å; Y62-W125 HydrophobicContact CG-CH2 4.48Å; Y62-W125 AromaticContact CG-CZ2 3.48Å; Y62-W125 HydrophobicContact CG-CZ2 3.48Å; Y62-W125 VanDerWaalsContact CG-CZ2 3.48Å; Y62-W125 AromaticContact CG-NE1 3.34Å; Y62-W125 VanDerWaalsContact CG-NE1 3.34Å; Y62-W125 AromaticContact CZ-CD1 3.98Å; Y62-W125 AromaticContact CZ-NE1 3.46Å
63F98.4Very high94.7Very high0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-122.1133.8-175.2-50.9-76.4000110.7L30 I32 L48 L57 T61 F97 C100 N101 F102L30-F63 HydrophobicContact CB-CD1 4.02Å; L30-F63 HydrophobicContact CB-CE1 4.4Å; L30-F63 WeakPolarHBondContact O-CA 3.46Å; I32-F63 HydrophobicContact CD1-CB 4.11Å; L48-F63 HydrophobicContact CB-CE1 4.14Å; L48-F63 HydrophobicContact CB-CZ 4.33Å; L48-F63 HydrophobicContact CD1-CD1 3.73Å; L48-F63 HydrophobicContact CD1-CE1 3.89Å; L48-F63 HydrophobicContact CD2-CD1 4.48Å; L48-F63 HydrophobicContact CD2-CE1 3.86Å; L48-F63 HydrophobicContact CG-CD1 4.5Å; L48-F63 HydrophobicContact CG-CE1 4.17Å; L57-F63 HydrophobicContact CD1-CE1 4.33Å; L57-F63 HydrophobicContact CD1-CZ 3.65Å; T61-F63 HydrophobicContact CG2-CE1 3.81Å; T61-F63 HydrophobicContact CG2-CE2 4.42Å; T61-F63 HydrophobicContact CG2-CZ 3.73Å; F63-F97 HydrophobicContact CD2-CD2 4.42Å; F63-F97 AromaticContact CD2-CE2 3.89Å; F63-F97 HydrophobicContact CD2-CE2 3.89Å; F63-F97 AromaticContact CE2-CD2 3.82Å; F63-F97 HydrophobicContact CE2-CD2 3.82Å; F63-F97 AromaticContact CE2-CE2 3.43Å; F63-F97 HydrophobicContact CE2-CE2 3.43Å; F63-F97 VanDerWaalsContact CE2-CE2 3.43Å; F63-F97 HydrophobicContact CE2-CZ 4.44Å; F63-F97 AromaticContact CZ-CE2 3.93Å; F63-F97 HydrophobicContact CZ-CE2 3.93Å; F63-C100 HydrophobicContact CD2-CB 4.45Å; F63-C100 PolarHBondContact N-O 3.09Å; F63-N101 VanDerWaalsContact CB-OD1 3.28Å; F63-N101 WeakPolarHBondContact CB-OD1 3.46Å; F63-N101 WeakPolarHBondContact CD2-ND2 3.36Å; F63-N101 CarbonylContact O-C 3.47Å; F63-N101 WeakPolarHBondContact O-CA 3.47Å; F63-F102 PolarHBondContact O-N 2.66Å
64V98.4Very high94.9Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-122.9107.3176.4-174.90000109.1V29 L30 V31 I32 F102 L117 F120 W125V29-V64 HydrophobicContact CG1-CG2 3.9Å; L30-V64 PolarHBondContact O-N 2.96Å; V31-V64 CarbonylContact C-O 3.54Å; V31-V64 VanDerWaalsContact CA-O 3.26Å; V31-V64 WeakPolarHBondContact CA-O 3.42Å; V31-V64 HydrophobicContact CG2-CB 4.32Å; I32-V64 PolarHBondContact N-O 3.4Å; V64-F102 CarbonylContact C-O 3.56Å; V64-F102 WeakPolarHBondContact CA-O 3.41Å; V64-L117 HydrophobicContact CG1-CD1 3.93Å; V64-F120 HydrophobicContact CG1-CD1 4.44Å; V64-F120 HydrophobicContact CG1-CE1 4.28Å; V64-F120 HydrophobicContact CG2-CD1 4.44Å; V64-F120 HydrophobicContact CG2-CE1 4Å; V64-W125 HydrophobicContact CG2-CH2 3.92Å; V64-W125 HydrophobicContact CG2-CZ3 4.07Å
65G98.4Very high95.1Very high0 Ų047.9 Ų47.90%025%0.252CS..EExtended strand (participates in β ladder)trans-72.1130.1168.800000110.5Y45 F102 Y103 M104Y45-G65 WeakPolarHBondContact OH-CA 3.4Å; G65-F102 PolarHBondContact N-O 3.01Å; G65-Y103 CarbonylContact O-C 3.53Å; G65-Y103 WeakPolarHBondContact O-CA 3.38Å; G65-Y103 VanDerWaalsContact O-CD2 3.31Å; G65-Y103 WeakPolarHBondContact O-CD2 3.13Å; G65-M104 PolarHBondContact O-N 3.2Å
66F98.2Very high95.3Very high0 Ų046.2 Ų46.20%024%0.235CC..EExtended strand (participates in β ladder)trans-130.6116.7179.8-176.6-102000110.8V31 I32 I33 G34 M104 Y108 F114 L117V31-F66 HydrophobicContact CG1-CB 4.08Å; I32-F66 PolarHBondContact O-N 2.66Å; I33-F66 CarbonylContact C-O 3.6Å; I33-F66 WeakPolarHBondContact CA-O 3.46Å; I33-F66 HydrophobicContact CG2-CD1 4.15Å; G34-F66 PolarHBondContact N-O 3.41Å; F66-M104 WeakPolarHBondContact CA-O 3.46Å; F66-M104 HydrophobicContact CD2-CB 4.28Å; F66-M104 HydrophobicContact CD2-CE 3.65Å; F66-M104 WeakPolarHBondContact CD2-O 3.35Å; F66-M104 HydrophobicContact CE2-CE 3.36Å; F66-Y108 HydrophobicContact CD1-CD1 4.19Å; F66-Y108 AromaticContact CD1-CE1 3.92Å; F66-Y108 HydrophobicContact CD1-CE1 3.92Å; F66-Y108 AromaticContact CE1-CD1 3.82Å; F66-Y108 HydrophobicContact CE1-CD1 3.82Å; F66-Y108 HydrophobicContact CE1-CE1 4Å; F66-F114 HydrophobicContact CE1-CE1 4.17Å; F66-F114 HydrophobicContact CE1-CE2 4.3Å; F66-F114 AromaticContact CE1-CZ 3.86Å; F66-F114 HydrophobicContact CE1-CZ 3.86Å; F66-F114 HydrophobicContact CZ-CE2 4.45Å; F66-F114 HydrophobicContact CZ-CZ 4.38Å; F66-L117 HydrophobicContact CD2-CD1 4.48Å; F66-L117 HydrophobicContact CD2-CD2 4.43Å
67A97.4Very high95.5Very high0 Ų047.3 Ų47.30%024%0.238CC..EExtended strand (participates in β ladder)trans-156.2169.2178.100000113.3S36 S69 Y103 M104 R105 G106 Y108S36-A67 WeakPolarHBondContact OG-CB 3.28Å; A67-S69 VanDerWaalsContact C-N 3.3Å; A67-S69 PolarHBondContact O-N 3.17Å; A67-Y103 HydrophobicContact CB-CE2 4.22Å; A67-Y103 PolarHBondContact O-OH 3.21Å; A67-M104 PolarHBondContact N-O 3.18Å; A67-R105 CarbonylContact O-C 3.53Å; A67-R105 WeakPolarHBondContact O-CA 3.29Å; A67-G106 CarbonylContact C-O 3.57Å; A67-G106 VanDerWaalsContact C-O 3.3Å; A67-G106 PolarHBondContact O-N 3.03Å; A67-Y108 WeakPolarHBondContact CA-OH 3.39Å
68R95.9Very high95.6Very high159 Ų15949.8 Ų49.860%0.626%0.261SS*.SBendtrans-70.6-24.7177.7-66.9-177.8-64.81751.3113.8G106 D107 Y108R68-G106 WeakPolarHBondContact CA-O 3.38Å; R68-G106 PolarHBondContact N-O 3.4Å; R68-D107 WeakPolarHBondContact CD-OD2 3.35Å; R68-Y108 HydrophobicContact CG-CE2 4.4Å
69S95.4Very high95.7Very high47 Ų4750.7 Ų50.733%0.32927%0.271SS..SBendtrans-66140.6-173.2-57.90000111.4S36 A67 I71 Y103S36-S69 WeakPolarHBondContact CB-OG 3.18Å; S36-S69 PolarHBondContact OG-OG 2.85Å; A67-S69 VanDerWaalsContact C-N 3.3Å; A67-S69 PolarHBondContact O-N 3.17Å; S69-I71 VanDerWaalsContact C-N 3.33Å; S69-I71 PolarHBondContact O-N 3.37Å; S69-I71 VanDerWaalsContact O-N 3.16Å; S69-Y103 PolarHBondContact O-OH 2.91Å
70D94.7Very high96.1Very high128 Ų12845.8 Ų45.868%0.68424%0.239SC*.  trans-88.376.1174.8-155.233.6000109.5R105D70-R105 VanDerWaalsContact OD1-CD 3.3Å; D70-R105 WeakPolarHBondContact OD1-CD 3.44Å; D70-R105 IonicContact OD1-CZ 3.64Å; D70-R105 IonicContact OD1-NE 2.77Å; D70-R105 IonicContact OD1-NH1 2.72Å; D70-R105 PolarHBondContact OD1-NH1 2.77Å; D70-R105 IonicContact OD2-NH1 3.47Å; D70-R105 PolarHBondContact OD2-NH1 2.87Å
71I95.2Very high96.1Very high47 Ų4743.8 Ų43.824%0.24123%0.234CC..  trans-132162.5-17863.2173.7000110S69 D75 I76 Y103S69-I71 VanDerWaalsContact C-N 3.33Å; S69-I71 PolarHBondContact O-N 3.37Å; S69-I71 VanDerWaalsContact O-N 3.16Å; I71-D75 HydrophobicContact CB-CB 4Å; I71-D75 HydrophobicContact CG2-CB 4.48Å; I71-I76 HydrophobicContact CD1-CD1 4.21Å; I71-I76 HydrophobicContact CD1-CG1 3.75Å; I71-Y103 HydrophobicContact CD1-CE2 4.48Å; I71-Y103 HydrophobicContact CG1-CE1 4.01Å; I71-Y103 HydrophobicContact CG1-CE2 4.16Å; I71-Y103 WeakPolarHBondContact O-CD1 3.32Å; I71-Y103 WeakPolarHBondContact O-CE1 3.36Å
72G93.6Very high95.8Very high31 Ų3151.4 Ų51.432%0.3227%0.267SS..  trans-96.5173.7171.600000112.8E74 D75G72-E74 PolarHBondContact O-N 2.74Å; G72-D75 PolarHBondContact N-OD2 3.07Å; G72-D75 PolarHBondContact O-N 3.36Å
73I96.1Very high95.6Very high33 Ų3351.3 Ų51.317%0.16927%0.268CS..Hα-helixtrans-64.2-30.4173.2-166.760.4000112D75 I76 R77 W98 N101I73-D75 VanDerWaalsContact C-N 3.32Å; I73-D75 PolarHBondContact O-N 3.12Å; I73-I76 HydrophobicContact CD1-CB 4.32Å; I73-I76 HydrophobicContact CD1-CD1 4.27Å; I73-I76 WeakPolarHBondContact O-CB 3.39Å; I73-I76 PolarHBondContact O-N 3.36Å; I73-I76 VanDerWaalsContact O-N 3.15Å; I73-R77 PolarHBondContact O-N 3.48Å; I73-W98 HydrophobicContact CD1-CE3 4.23Å; I73-W98 HydrophobicContact CD1-CZ3 3.86Å; I73-W98 HydrophobicContact CG1-CE3 3.98Å; I73-W98 HydrophobicContact CG1-CZ3 4.08Å; I73-N101 HydrophobicContact CD1-CB 3.86Å; I73-N101 HydrophobicContact CG1-CB 3.89Å
74E96.3Very high95.2Very high117 Ų11751.4 Ų51.455%0.54727%0.268SS..Hα-helixtrans-63-35.3176.4-60.6-53.8149.100112.8G72 I76 R77 A78G72-E74 PolarHBondContact O-N 2.74Å; E74-I76 VanDerWaalsContact C-N 3.33Å; E74-I76 PolarHBondContact O-N 2.71Å; E74-R77 WeakPolarHBondContact O-CB 3.31Å; E74-R77 PolarHBondContact O-N 2.9Å; E74-R77 WeakPolarHBondContact OE2-CD 3.46Å; E74-A78 WeakPolarHBondContact O-CB 3.35Å; E74-A78 PolarHBondContact O-N 3.43Å
75D95.9Very high94.7Very high89 Ų8959.1 Ų59.148%0.47630%0.302SS..Hα-helixtrans-67.5-36.9175.4-61.8-62.4000111.6I71 G72 I73 G79I71-D75 HydrophobicContact CB-CB 4Å; I71-D75 HydrophobicContact CG2-CB 4.48Å; G72-D75 PolarHBondContact N-OD2 3.07Å; G72-D75 PolarHBondContact O-N 3.36Å; I73-D75 VanDerWaalsContact C-N 3.32Å; I73-D75 PolarHBondContact O-N 3.12Å; D75-G79 PolarHBondContact O-N 3.41Å
76I96.1Very high94Very high0 Ų060.6 Ų60.60%031%0.31CS..Hα-helixtrans-68.3-42.9175.6-64.9177.6000110A35 Y45 I71 I73 E74 G79 S80 W98 Y103A35-I76 HydrophobicContact CB-CD1 3.98Å; Y45-I76 HydrophobicContact CD1-CG2 4.49Å; Y45-I76 HydrophobicContact CD2-CG2 3.63Å; Y45-I76 HydrophobicContact CE1-CG2 4.21Å; Y45-I76 HydrophobicContact CE2-CG2 3.28Å; Y45-I76 HydrophobicContact CG-CG2 4.23Å; I71-I76 HydrophobicContact CD1-CD1 4.21Å; I71-I76 HydrophobicContact CD1-CG1 3.75Å; I73-I76 HydrophobicContact CD1-CB 4.32Å; I73-I76 HydrophobicContact CD1-CD1 4.27Å; I73-I76 WeakPolarHBondContact O-CB 3.39Å; I73-I76 PolarHBondContact O-N 3.36Å; I73-I76 VanDerWaalsContact O-N 3.15Å; E74-I76 VanDerWaalsContact C-N 3.33Å; E74-I76 PolarHBondContact O-N 2.71Å; I76-G79 PolarHBondContact O-N 2.88Å; I76-S80 WeakPolarHBondContact O-CB 3.34Å; I76-S80 PolarHBondContact O-N 3.36Å; I76-S80 PolarHBondContact O-OG 3.3Å; I76-W98 HydrophobicContact CG2-CH2 4.08Å; I76-W98 HydrophobicContact CG2-CZ3 4.21Å; I76-Y103 HydrophobicContact CD1-CD2 3.35Å; I76-Y103 HydrophobicContact CD1-CE2 3.74Å; I76-Y103 HydrophobicContact CD1-CG 4.23Å
77R96.2Very high93.1Very high41 Ų4166.4 Ų66.416%0.15535%0.35CS..Hα-helixtrans-56.3-56.1175173.1177.8175.6162.86.2111.5I73 E74 G79 S80 E81 E95 W98I73-R77 PolarHBondContact O-N 3.48Å; E74-R77 WeakPolarHBondContact O-CB 3.31Å; E74-R77 PolarHBondContact O-N 2.9Å; E74-R77 WeakPolarHBondContact OE2-CD 3.46Å; R77-G79 VanDerWaalsContact C-N 3.25Å; R77-G79 PolarHBondContact O-N 2.79Å; R77-S80 PolarHBondContact O-N 3.09Å; R77-E81 PolarHBondContact O-N 2.78Å; R77-E95 IonicContact CZ-OE1 3.12Å; R77-E95 IonicContact CZ-OE2 2.67Å; R77-E95 VanDerWaalsContact CZ-OE2 3.27Å; R77-E95 IonicContact NH1-OE1 3.67Å; R77-E95 IonicContact NH1-OE2 3.59Å; R77-E95 PolarHBondContact NH1-OE2 3.43Å; R77-E95 IonicContact NH2-OE1 3.21Å; R77-E95 PolarHBondContact NH2-OE1 2.98Å; R77-E95 IonicContact NH2-OE2 3.27Å; R77-E95 PolarHBondContact NH2-OE2 3.21Å; R77-W98 VanDerWaalsContact CA-CH2 3.44Å; R77-W98 VanDerWaalsContact CA-CZ2 3.49Å; R77-W98 HydrophobicContact CB-CD2 3.8Å; R77-W98 HydrophobicContact CB-CE3 3.85Å; R77-W98 HydrophobicContact CB-CH2 3.93Å; R77-W98 HydrophobicContact CB-CZ2 3.85Å; R77-W98 HydrophobicContact CB-CZ3 3.91Å; R77-W98 HydrophobicContact CG-CD2 3.83Å; R77-W98 HydrophobicContact CG-CE3 4.4Å; R77-W98 HydrophobicContact CG-CG 4.12Å; R77-W98 HydrophobicContact CG-CZ2 4.04Å
78A94.8Very high92.1Very high66 Ų6669.5 Ų69.555%0.54537%0.372SS..Hα-helixtrans-58.4-38.7178.300000112E74 S80E74-A78 WeakPolarHBondContact O-CB 3.35Å; E74-A78 PolarHBondContact O-N 3.43Å; A78-S80 VanDerWaalsContact C-N 3.29Å; A78-S80 PolarHBondContact O-N 3.04Å
79G94.1Very high91Very high23 Ų2367.8 Ų67.824%0.23737%0.37CS..Hα-helixtrans-67.7-25.1177.300000114.9D75 I76 R77D75-G79 PolarHBondContact O-N 3.41Å; I76-G79 PolarHBondContact O-N 2.88Å; R77-G79 VanDerWaalsContact C-N 3.25Å; R77-G79 PolarHBondContact O-N 2.79Å
80S95Very high90Very high2 Ų271.3 Ų71.31%0.01439%0.392CS..Hα-helixtrans-101.4-23.2-173.6-51.50000113.3K41 I76 R77 A78 K82 F83 A84K41-S80 WeakPolarHBondContact CA-OG 3.3Å; I76-S80 WeakPolarHBondContact O-CB 3.34Å; I76-S80 PolarHBondContact O-N 3.36Å; I76-S80 PolarHBondContact O-OG 3.3Å; R77-S80 PolarHBondContact O-N 3.09Å; A78-S80 VanDerWaalsContact C-N 3.29Å; A78-S80 PolarHBondContact O-N 3.04Å; S80-K82 PolarHBondContact O-N 3.07Å; S80-F83 WeakPolarHBondContact O-CB 3.39Å; S80-F83 PolarHBondContact O-N 3.25Å; S80-A84 PolarHBondContact O-N 2.76Å
81E93.1Very high89.6Confident69 Ų6966.6 Ų66.632%0.32237%0.369SS..Hα-helixtrans-54.6-44.2-172.4-176.4170.3-147.700113.8R77 F83 A84 L86 H89 Y94R77-E81 PolarHBondContact O-N 2.78Å; E81-F83 PolarHBondContact O-N 3.09Å; E81-A84 WeakPolarHBondContact O-CB 3.38Å; E81-A84 PolarHBondContact O-N 3.31Å; E81-L86 HydrophobicContact CG-CD1 4.17Å; E81-H89 IonicContact OE1-CD2 2.68Å; E81-H89 IonicContact OE1-NE2 3.8Å; E81-H89 PolarHBondContact OE1-NE2 3.5Å; E81-Y94 WeakPolarHBondContact CA-OH 3.4Å; E81-Y94 HydrophobicContact CG-CE1 4.5Å
82K91.6Very high89.4Confident165 Ų16571.3 Ų71.372%0.71739%0.39SS*.THydrogen-bonded Turntrans-61.6-19.4178.267.1-176.2175.1-174.70114.3S80S80-K82 PolarHBondContact O-N 3.07Å
83F93.5Very high89.4Confident61 Ų6174.9 Ų74.927%0.26840%0.396SS..THydrogen-bonded Turntrans-98.4-13.2177.7-55.3-70.7000112.6K41 K42 P46 W50 S80 E81 K85K41-F83 WeakPolarHBondContact O-CD2 3.27Å; K42-F83 HydrophobicContact CB-CD2 4.45Å; K42-F83 HydrophobicContact CB-CE1 4.5Å; K42-F83 HydrophobicContact CB-CE2 4.32Å; K42-F83 HydrophobicContact CB-CZ 4.35Å; K42-F83 HydrophobicContact CD-CZ 4.23Å; K42-F83 HydrophobicContact CG-CD2 4.22Å; K42-F83 HydrophobicContact CG-CE1 4.12Å; K42-F83 HydrophobicContact CG-CE2 3.63Å; K42-F83 HydrophobicContact CG-CZ 3.57Å; P46-F83 HydrophobicContact CB-CB 4.26Å; P46-F83 HydrophobicContact CG-CB 3.53Å; W50-F83 WeakPolarHBondContact CZ2-O 3.28Å; S80-F83 WeakPolarHBondContact O-CB 3.39Å; S80-F83 PolarHBondContact O-N 3.25Å; E81-F83 PolarHBondContact O-N 3.09Å; F83-K85 PolarHBondContact O-N 3.11Å
84A90Very high89.3Confident1 Ų173.4 Ų73.41%0.00839%0.389CS..SBendtrans-70.3-15.6-178.100000113.6W50 S80 E81 L86 Y94W50-A84 PolarHBondContact NE1-O 2.77Å; S80-A84 PolarHBondContact O-N 2.76Å; E81-A84 WeakPolarHBondContact O-CB 3.38Å; E81-A84 PolarHBondContact O-N 3.31Å; A84-L86 HydrophobicContact CB-CG 4.12Å; A84-L86 PolarHBondContact O-N 2.72Å; A84-Y94 HydrophobicContact CB-CE2 4.05Å
85K87.8Confident89.2Confident163 Ų16371.1 Ų71.171%0.70938%0.378SS*.  trans52.150.7-179.6-60.2179-179.6177.60112.3W50 F83 S87W50-K85 HydrophobicContact CZ2-CD 4.3Å; F83-K85 PolarHBondContact O-N 3.11Å; K85-S87 PolarHBondContact O-N 2.89Å
86L83.9Confident89.2Confident31 Ų3170.6 Ų70.616%0.16237%0.373CS..  trans-65.4131.3178.6-66168.2000110.5W49 E81 A84 H89 C91 Y94W49-L86 HydrophobicContact CZ2-CD2 3.61Å; E81-L86 HydrophobicContact CG-CD1 4.17Å; A84-L86 HydrophobicContact CB-CG 4.12Å; A84-L86 PolarHBondContact O-N 2.72Å; L86-H89 WeakPolarHBondContact CD1-NE2 3.33Å; L86-C91 HydrophobicContact CD2-CB 4.43Å; L86-Y94 HydrophobicContact CD1-CD1 3.86Å; L86-Y94 HydrophobicContact CD1-CD2 4.34Å; L86-Y94 HydrophobicContact CD1-CE1 3.72Å; L86-Y94 HydrophobicContact CD1-CE2 4.21Å; L86-Y94 HydrophobicContact CD1-CG 4.16Å; L86-Y94 HydrophobicContact CD2-CD1 4.41Å; L86-Y94 HydrophobicContact CD2-CD2 3.74Å; L86-Y94 HydrophobicContact CD2-CE2 4.15Å; L86-Y94 HydrophobicContact CD2-CG 3.86Å
87S79.3Confident89.2Confident121 Ų12170.6 Ų70.685%0.84637%0.373SS*.SBendtrans-76-25.8178.851.60000113K85K85-S87 PolarHBondContact O-N 2.89Å
88S75Confident89.3Confident65 Ų6569.2 Ų69.246%0.45537%0.368SS..SBendtrans-157.6154.4-17652.30000111.1
89H72.8Confident89.4Confident124 Ų12471.9 Ų71.957%0.57437%0.372SS*.SBendtrans-128.1134.3172-6781.1000109.5E81 L86E81-H89 IonicContact OE1-CD2 2.68Å; E81-H89 IonicContact OE1-NE2 3.8Å; E81-H89 PolarHBondContact OE1-NE2 3.5Å; L86-H89 WeakPolarHBondContact CD1-NE2 3.33Å
90P74.4Confident89.5Confident121 Ų12172 Ų7279%0.78637%0.369SS*.SBendcis-75.2150.9-430.1-32.9000112.8
91C86.1Confident89.6Confident28 Ų2872.1 Ų72.119%0.18937%0.37CS..  trans-115.6106.9175.2-178.80000109.2L86 K93 Y94 E95L86-C91 HydrophobicContact CD2-CB 4.43Å; C91-K93 PolarHBondContact O-N 3.47Å; C91-Y94 WeakPolarHBondContact O-CA 3.38Å; C91-Y94 VanDerWaalsContact O-CB 3.25Å; C91-Y94 WeakPolarHBondContact O-CB 3.45Å; C91-Y94 PolarHBondContact O-N 2.67Å; C91-E95 PolarHBondContact O-N 3.44Å
92Q91.8Very high89.9Confident146 Ų14671.2 Ų71.268%0.68237%0.365SS*.Hα-helixtrans-58.3-45.2-175.9-176-175.3-21.500112.7Y94 E95 E96Q92-Y94 PolarHBondContact O-N 3.42Å; Q92-E95 WeakPolarHBondContact O-CB 3.32Å; Q92-E95 PolarHBondContact O-N 2.88Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.31Å; Q92-E96 PolarHBondContact NE2-OE1 3.23Å; Q92-E96 WeakPolarHBondContact O-CG 3.34Å; Q92-E96 PolarHBondContact O-N 2.94Å
93K92.8Very high90.2Very high106 Ų10665.2 Ų65.246%0.46134%0.338SS..Hα-helixtrans-56.8-32.6175.2-80.7-171.6170.9-174.50112.4W49 R53 C91 E96 F97W49-K93 HydrophobicContact CH2-CB 3.79Å; W49-K93 VanDerWaalsContact CZ3-C 3.47Å; W49-K93 HydrophobicContact CZ3-CB 4.1Å; W49-K93 VanDerWaalsContact CZ3-O 3.29Å; W49-K93 WeakPolarHBondContact CZ3-O 3.24Å; R53-K93 PolarHBondContact O-NZ 2.87Å; C91-K93 PolarHBondContact O-N 3.47Å; K93-E96 PolarHBondContact O-N 3.05Å; K93-F97 WeakPolarHBondContact O-CB 3.34Å; K93-F97 PolarHBondContact O-N 3.02Å
94Y94.9Very high90.4Very high3 Ų363.7 Ų63.71%0.01233%0.332CS..Hα-helixtrans-69.4-39.3178.2-170.1-116.5000111.3W49 E81 A84 L86 C91 Q92 F97 W98W49-Y94 AromaticContact CD2-CD2 3.59Å; W49-Y94 HydrophobicContact CD2-CD2 3.59Å; W49-Y94 HydrophobicContact CD2-CE2 4.11Å; W49-Y94 AromaticContact CE2-CD2 3.64Å; W49-Y94 AromaticContact CE3-CD2 3.77Å; W49-Y94 HydrophobicContact CE3-CD2 3.77Å; W49-Y94 HydrophobicContact CG-CD2 4.14Å; W49-Y94 HydrophobicContact CG-CE2 4.18Å; W49-Y94 VanDerWaalsContact CH2-CA 3.43Å; W49-Y94 HydrophobicContact CH2-CD2 4.04Å; W49-Y94 HydrophobicContact CH2-CG 4.37Å; W49-Y94 VanDerWaalsContact CH2-N 3.29Å; W49-Y94 AromaticContact CZ2-CD2 3.86Å; W49-Y94 HydrophobicContact CZ2-CD2 3.86Å; W49-Y94 HydrophobicContact CZ2-CG 4.37Å; W49-Y94 HydrophobicContact CZ3-CD2 4.02Å; E81-Y94 WeakPolarHBondContact CA-OH 3.4Å; E81-Y94 HydrophobicContact CG-CE1 4.5Å; A84-Y94 HydrophobicContact CB-CE2 4.05Å; L86-Y94 HydrophobicContact CD1-CD1 3.86Å; L86-Y94 HydrophobicContact CD1-CD2 4.34Å; L86-Y94 HydrophobicContact CD1-CE1 3.72Å; L86-Y94 HydrophobicContact CD1-CE2 4.21Å; L86-Y94 HydrophobicContact CD1-CG 4.16Å; L86-Y94 HydrophobicContact CD2-CD1 4.41Å; L86-Y94 HydrophobicContact CD2-CD2 3.74Å; L86-Y94 HydrophobicContact CD2-CE2 4.15Å; L86-Y94 HydrophobicContact CD2-CG 3.86Å; C91-Y94 WeakPolarHBondContact O-CA 3.38Å; C91-Y94 VanDerWaalsContact O-CB 3.25Å; C91-Y94 WeakPolarHBondContact O-CB 3.45Å; C91-Y94 PolarHBondContact O-N 2.67Å; Q92-Y94 PolarHBondContact O-N 3.42Å; Y94-F97 WeakPolarHBondContact O-CB 3.41Å; Y94-F97 PolarHBondContact O-N 3.02Å; Y94-W98 AromaticContact CD1-CD1 3.94Å; Y94-W98 AromaticContact CD2-NE1 3.86Å; Y94-W98 AromaticContact CE1-CD1 3.74Å; Y94-W98 AromaticContact CE1-NE1 3.43Å; Y94-W98 AromaticContact CE2-CD1 3.95Å; Y94-W98 AromaticContact CE2-NE1 3.24Å; Y94-W98 AromaticContact CZ-CD1 3.76Å; Y94-W98 AromaticContact CZ-NE1 3Å; Y94-W98 PolarHBondContact O-N 3.29Å; Y94-W98 VanDerWaalsContact O-N 3.1Å; Y94-W98 PolarHBondContact OH-NE1 3.36Å; Y94-W98 VanDerWaalsContact OH-NE1 3.15Å
95E95Very high90.7Very high69 Ų6970.7 Ų70.732%0.32236%0.358SS..Hα-helixtrans-63.5-43.7170.7-55.9-55148.100111.6R77 C91 Q92 F97 W98 N99R77-E95 IonicContact CZ-OE1 3.12Å; R77-E95 IonicContact CZ-OE2 2.67Å; R77-E95 VanDerWaalsContact CZ-OE2 3.27Å; R77-E95 IonicContact NH1-OE1 3.67Å; R77-E95 IonicContact NH1-OE2 3.59Å; R77-E95 PolarHBondContact NH1-OE2 3.43Å; R77-E95 IonicContact NH2-OE1 3.21Å; R77-E95 PolarHBondContact NH2-OE1 2.98Å; R77-E95 IonicContact NH2-OE2 3.27Å; R77-E95 PolarHBondContact NH2-OE2 3.21Å; C91-E95 PolarHBondContact O-N 3.44Å; Q92-E95 WeakPolarHBondContact O-CB 3.32Å; Q92-E95 PolarHBondContact O-N 2.88Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.13Å; E95-W98 PolarHBondContact O-N 3.5Å; E95-N99 VanDerWaalsContact O-CG 3.23Å; E95-N99 PolarHBondContact O-N 2.77Å; E95-N99 PolarHBondContact O-ND2 3.26Å
96E95.4Very high91.1Very high77 Ų7763.2 Ų63.236%0.3633%0.328SS..Hα-helixtrans-59.5-41176.2-69.4167.7-172.200112.1F52 Q92 K93 N99 C100F52-E96 HydrophobicContact CE1-CB 4.24Å; F52-E96 HydrophobicContact CZ-CB 4.29Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.31Å; Q92-E96 PolarHBondContact NE2-OE1 3.23Å; Q92-E96 WeakPolarHBondContact O-CG 3.34Å; Q92-E96 PolarHBondContact O-N 2.94Å; K93-E96 PolarHBondContact O-N 3.05Å; E96-N99 PolarHBondContact O-N 3.34Å; E96-C100 PolarHBondContact O-N 2.76Å; E96-C100 PolarHBondContact O-SG 3.29Å
97F96.8Very high91.6Very high0 Ų064.3 Ų64.30%033%0.334CS..Hα-helixtrans-58.5-52.2173.3169.9-106.1000110.9Y45 L48 W49 F52 F63 K93 Y94 E95 N99 C100 N101Y45-F97 HydrophobicContact CD1-CZ 4.49Å; L48-F97 HydrophobicContact CB-CE2 4.04Å; L48-F97 HydrophobicContact CB-CZ 4.09Å; W49-F97 HydrophobicContact CB-CD1 4.26Å; W49-F97 HydrophobicContact CB-CE1 4.03Å; W49-F97 HydrophobicContact CB-CE2 4.49Å; W49-F97 HydrophobicContact CB-CZ 4.14Å; W49-F97 HydrophobicContact CE3-CB 3.67Å; W49-F97 HydrophobicContact CE3-CD1 4.12Å; W49-F97 HydrophobicContact CE3-CD2 4.41Å; W49-F97 AromaticContact CE3-CG 3.81Å; W49-F97 HydrophobicContact CE3-CG 3.81Å; W49-F97 HydrophobicContact CZ3-CB 3.86Å; F52-F97 HydrophobicContact CB-CD2 3.77Å; F52-F97 HydrophobicContact CB-CE2 4.38Å; F52-F97 HydrophobicContact CD1-CB 3.71Å; F52-F97 HydrophobicContact CD1-CD2 4.2Å; F52-F97 HydrophobicContact CD1-CG 4.41Å; F52-F97 HydrophobicContact CD2-CD2 4.12Å; F52-F97 HydrophobicContact CE1-CB 3.88Å; F52-F97 HydrophobicContact CG-CB 4.17Å; F52-F97 AromaticContact CG-CD2 3.77Å; F52-F97 HydrophobicContact CG-CD2 3.77Å; F52-F97 HydrophobicContact CG-CG 4.43Å; F52-F97 HydrophobicContact CZ-CB 4.46Å; F63-F97 HydrophobicContact CD2-CD2 4.42Å; F63-F97 AromaticContact CD2-CE2 3.89Å; F63-F97 HydrophobicContact CD2-CE2 3.89Å; F63-F97 AromaticContact CE2-CD2 3.82Å; F63-F97 HydrophobicContact CE2-CD2 3.82Å; F63-F97 AromaticContact CE2-CE2 3.43Å; F63-F97 HydrophobicContact CE2-CE2 3.43Å; F63-F97 VanDerWaalsContact CE2-CE2 3.43Å; F63-F97 HydrophobicContact CE2-CZ 4.44Å; F63-F97 AromaticContact CZ-CE2 3.93Å; F63-F97 HydrophobicContact CZ-CE2 3.93Å; K93-F97 WeakPolarHBondContact O-CB 3.34Å; K93-F97 PolarHBondContact O-N 3.02Å; Y94-F97 WeakPolarHBondContact O-CB 3.41Å; Y94-F97 PolarHBondContact O-N 3.02Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.13Å; F97-N99 VanDerWaalsContact C-N 3.29Å; F97-N99 PolarHBondContact O-N 3.1Å; F97-C100 WeakPolarHBondContact O-CB 3.46Å; F97-C100 PolarHBondContact O-N 3.46Å; F97-N101 PolarHBondContact O-ND2 3.12Å
98W96.9Very high92.4Very high13 Ų1359.2 Ų59.25%0.04930%0.296CS..Hα-helixtrans-67.3-27.2-179.1-74.2108.4000113.5Y45 I73 I76 R77 Y94 E95 C100 N101Y45-W98 AromaticContact CD1-CH2 3.94Å; Y45-W98 HydrophobicContact CD1-CH2 3.94Å; Y45-W98 HydrophobicContact CD1-CZ3 4.3Å; Y45-W98 HydrophobicContact CE1-CH2 4.42Å; Y45-W98 HydrophobicContact CE1-CZ3 4.37Å; Y45-W98 HydrophobicContact CG-CH2 4.26Å; I73-W98 HydrophobicContact CD1-CE3 4.23Å; I73-W98 HydrophobicContact CD1-CZ3 3.86Å; I73-W98 HydrophobicContact CG1-CE3 3.98Å; I73-W98 HydrophobicContact CG1-CZ3 4.08Å; I76-W98 HydrophobicContact CG2-CH2 4.08Å; I76-W98 HydrophobicContact CG2-CZ3 4.21Å; R77-W98 VanDerWaalsContact CA-CH2 3.44Å; R77-W98 VanDerWaalsContact CA-CZ2 3.49Å; R77-W98 HydrophobicContact CB-CD2 3.8Å; R77-W98 HydrophobicContact CB-CE3 3.85Å; R77-W98 HydrophobicContact CB-CH2 3.93Å; R77-W98 HydrophobicContact CB-CZ2 3.85Å; R77-W98 HydrophobicContact CB-CZ3 3.91Å; R77-W98 HydrophobicContact CG-CD2 3.83Å; R77-W98 HydrophobicContact CG-CE3 4.4Å; R77-W98 HydrophobicContact CG-CG 4.12Å; R77-W98 HydrophobicContact CG-CZ2 4.04Å; Y94-W98 AromaticContact CD1-CD1 3.94Å; Y94-W98 AromaticContact CD2-NE1 3.86Å; Y94-W98 AromaticContact CE1-CD1 3.74Å; Y94-W98 AromaticContact CE1-NE1 3.43Å; Y94-W98 AromaticContact CE2-CD1 3.95Å; Y94-W98 AromaticContact CE2-NE1 3.24Å; Y94-W98 AromaticContact CZ-CD1 3.76Å; Y94-W98 AromaticContact CZ-NE1 3Å; Y94-W98 PolarHBondContact O-N 3.29Å; Y94-W98 VanDerWaalsContact O-N 3.1Å; Y94-W98 PolarHBondContact OH-NE1 3.36Å; Y94-W98 VanDerWaalsContact OH-NE1 3.15Å; E95-W98 PolarHBondContact O-N 3.5Å; W98-C100 PolarHBondContact O-N 3.13Å; W98-N101 HydrophobicContact CE3-CB 3.8Å; W98-N101 HydrophobicContact CZ3-CB 4.23Å; W98-N101 WeakPolarHBondContact O-CB 3.42Å; W98-N101 PolarHBondContact O-N 2.89Å
99N96.4Very high93.2Very high121 Ų12160.7 Ų60.765%0.64730%0.302SS*.Hα-helixtrans-64.5-22170.6-71.2-27.2000113.2E95 E96 F97 N101E95-N99 VanDerWaalsContact O-CG 3.23Å; E95-N99 PolarHBondContact O-N 2.77Å; E95-N99 PolarHBondContact O-ND2 3.26Å; E96-N99 PolarHBondContact O-N 3.34Å; F97-N99 VanDerWaalsContact C-N 3.29Å; F97-N99 PolarHBondContact O-N 3.1Å; N99-N101 VanDerWaalsContact C-N 3.34Å
100C96.9Very high94.3Very high25 Ų2558.5 Ų58.517%0.16930%0.295CS..THydrogen-bonded Turntrans-88.8-1.1173.9-57.50000112.9Y62 F63 E96 F97 W98Y62-C100 HydrophobicContact CD1-CB 4.12Å; F63-C100 HydrophobicContact CD2-CB 4.45Å; F63-C100 PolarHBondContact N-O 3.09Å; E96-C100 PolarHBondContact O-N 2.76Å; E96-C100 PolarHBondContact O-SG 3.29Å; F97-C100 WeakPolarHBondContact O-CB 3.46Å; F97-C100 PolarHBondContact O-N 3.46Å; W98-C100 PolarHBondContact O-N 3.13Å
101N98.2Very high95.2Very high6 Ų655.4 Ų55.43%0.03228%0.275CS..EExtended strand (participates in β ladder)trans-102.8133.7-177.5-79.5-98.5000111.5Y45 F63 I73 F97 W98 N99Y45-N101 VanDerWaalsContact CE1-OD1 3.3Å; Y45-N101 WeakPolarHBondContact CE1-OD1 3.39Å; F63-N101 VanDerWaalsContact CB-OD1 3.28Å; F63-N101 WeakPolarHBondContact CB-OD1 3.46Å; F63-N101 WeakPolarHBondContact CD2-ND2 3.36Å; F63-N101 CarbonylContact O-C 3.47Å; F63-N101 WeakPolarHBondContact O-CA 3.47Å; I73-N101 HydrophobicContact CD1-CB 3.86Å; I73-N101 HydrophobicContact CG1-CB 3.89Å; F97-N101 PolarHBondContact O-ND2 3.12Å; W98-N101 HydrophobicContact CE3-CB 3.8Å; W98-N101 HydrophobicContact CZ3-CB 4.23Å; W98-N101 WeakPolarHBondContact O-CB 3.42Å; W98-N101 PolarHBondContact O-N 2.89Å; N99-N101 VanDerWaalsContact C-N 3.34Å
102F98.2Very high95.7Very high50 Ų5058.8 Ų58.822%0.21929%0.286CS..EExtended strand (participates in β ladder)trans-126160.2176.5-58.2-89.4000109.6Y62 F63 V64 G65 F120 W125Y62-F102 HydrophobicContact CD1-CE2 4.23Å; F63-F102 PolarHBondContact O-N 2.66Å; V64-F102 CarbonylContact C-O 3.56Å; V64-F102 WeakPolarHBondContact CA-O 3.41Å; G65-F102 PolarHBondContact N-O 3.01Å; F102-F120 HydrophobicContact CB-CE1 3.99Å; F102-F120 HydrophobicContact CB-CZ 3.77Å; F102-F120 AromaticContact CD1-CZ 3.93Å; F102-F120 HydrophobicContact CD1-CZ 3.93Å; F102-F120 HydrophobicContact CG-CE1 4.28Å; F102-F120 AromaticContact CG-CZ 3.88Å; F102-F120 HydrophobicContact CG-CZ 3.88Å; F102-W125 AromaticContact CD2-CH2 3.86Å; F102-W125 HydrophobicContact CD2-CH2 3.86Å; F102-W125 AromaticContact CD2-CZ2 3.86Å; F102-W125 HydrophobicContact CD2-CZ2 3.86Å; F102-W125 HydrophobicContact CE2-CH2 4.07Å; F102-W125 AromaticContact CE2-CZ2 3.58Å; F102-W125 HydrophobicContact CE2-CZ2 3.58Å; F102-W125 HydrophobicContact CZ-CZ2 4.36Å
103Y98.1Very high95.9Very high38 Ų3852.6 Ų52.615%0.14926%0.258CS..EExtended strand (participates in β ladder)trans-130.3139.7173.6-178.2-98.6000110.4A35 G65 A67 S69 I71 I76 R105A35-Y103 HydrophobicContact CB-CE2 4.41Å; G65-Y103 CarbonylContact O-C 3.53Å; G65-Y103 WeakPolarHBondContact O-CA 3.38Å; G65-Y103 VanDerWaalsContact O-CD2 3.31Å; G65-Y103 WeakPolarHBondContact O-CD2 3.13Å; A67-Y103 HydrophobicContact CB-CE2 4.22Å; A67-Y103 PolarHBondContact O-OH 3.21Å; S69-Y103 PolarHBondContact O-OH 2.91Å; I71-Y103 HydrophobicContact CD1-CE2 4.48Å; I71-Y103 HydrophobicContact CG1-CE1 4.01Å; I71-Y103 HydrophobicContact CG1-CE2 4.16Å; I71-Y103 WeakPolarHBondContact O-CD1 3.32Å; I71-Y103 WeakPolarHBondContact O-CE1 3.36Å; I76-Y103 HydrophobicContact CD1-CD2 3.35Å; I76-Y103 HydrophobicContact CD1-CE2 3.74Å; I76-Y103 HydrophobicContact CD1-CG 4.23Å; Y103-R105 HydrophobicContact CE1-CB 4.24Å
104M97.3Very high96.1Very high30 Ų3047.5 Ų47.515%0.14824%0.236CC..EExtended strand (participates in β ladder)trans-132.3127.4173.1-158.3-177.98200110G65 F66 A67 T113 L116 L117 F120G65-M104 PolarHBondContact O-N 3.2Å; F66-M104 WeakPolarHBondContact CA-O 3.46Å; F66-M104 HydrophobicContact CD2-CB 4.28Å; F66-M104 HydrophobicContact CD2-CE 3.65Å; F66-M104 WeakPolarHBondContact CD2-O 3.35Å; F66-M104 HydrophobicContact CE2-CE 3.36Å; A67-M104 PolarHBondContact N-O 3.18Å; M104-T113 WeakPolarHBondContact CE-O 3.44Å; M104-L116 HydrophobicContact CE-CB 4.46Å; M104-L117 VanDerWaalsContact CE-CA 3.41Å; M104-L117 HydrophobicContact CE-CB 3.46Å; M104-L117 VanDerWaalsContact CE-CB 3.46Å; M104-L117 HydrophobicContact CE-CD1 3.91Å; M104-L117 HydrophobicContact CE-CG 4.23Å; M104-L117 HydrophobicContact SD-CB 4.4Å; M104-L117 HydrophobicContact SD-CD1 4.3Å; M104-F120 HydrophobicContact SD-CB 4.09Å; M104-F120 HydrophobicContact SD-CG 4.44Å
105R97Very high96.2Very high147 Ų14750.5 Ų50.556%0.55525%0.25SS*.EExtended strand (participates in β ladder)trans-77.2135173.2-179.3177.9170-166.3-6.4109.8A67 D70 Y103A67-R105 CarbonylContact O-C 3.53Å; A67-R105 WeakPolarHBondContact O-CA 3.29Å; D70-R105 VanDerWaalsContact OD1-CD 3.3Å; D70-R105 WeakPolarHBondContact OD1-CD 3.44Å; D70-R105 IonicContact OD1-CZ 3.64Å; D70-R105 IonicContact OD1-NE 2.77Å; D70-R105 IonicContact OD1-NH1 2.72Å; D70-R105 PolarHBondContact OD1-NH1 2.77Å; D70-R105 IonicContact OD2-NH1 3.47Å; D70-R105 PolarHBondContact OD2-NH1 2.87Å; Y103-R105 HydrophobicContact CE1-CB 4.24Å
106G95.8Very high96.3Very high6 Ų651 Ų516%0.06226%0.255CS..  trans-167.2149.1175.400000113.5A67 R68A67-G106 CarbonylContact C-O 3.57Å; A67-G106 VanDerWaalsContact C-O 3.3Å; A67-G106 PolarHBondContact O-N 3.03Å; R68-G106 WeakPolarHBondContact CA-O 3.38Å; R68-G106 PolarHBondContact N-O 3.4Å
107D94.9Very high96.4Very high55 Ų5547.4 Ų47.429%0.29424%0.238SC..  trans-86134.7172.2-172.3-91.4000111.4R68 T109 N110 T113R68-D107 WeakPolarHBondContact CD-OD2 3.35Å; D107-T109 VanDerWaalsContact C-N 3.25Å; D107-T109 PolarHBondContact O-N 3.43Å; D107-T109 WeakPolarHBondContact OD1-CA 3.39Å; D107-T109 WeakPolarHBondContact OD1-CB 3.23Å; D107-T109 PolarHBondContact OD1-N 2.99Å; D107-T109 PolarHBondContact OD1-OG1 3.22Å; D107-N110 HydrophobicContact CB-CB 4.15Å; D107-N110 PolarHBondContact OD1-N 3.43Å; D107-T113 PolarHBondContact O-OG1 2.88Å
108Y95.4Very high96.4Very high14 Ų1448.6 Ų48.66%0.05524%0.244CC..THydrogen-bonded Turntrans-71.2-17.4-176-56-34.3000114.2I33 G34 F66 A67 R68 I137 V141 V145I33-Y108 HydrophobicContact CG2-CD1 4.04Å; I33-Y108 HydrophobicContact CG2-CE1 3.69Å; G34-Y108 VanDerWaalsContact CA-OH 3.25Å; G34-Y108 WeakPolarHBondContact CA-OH 3.15Å; G34-Y108 PolarHBondContact N-OH 2.9Å; F66-Y108 HydrophobicContact CD1-CD1 4.19Å; F66-Y108 AromaticContact CD1-CE1 3.92Å; F66-Y108 HydrophobicContact CD1-CE1 3.92Å; F66-Y108 AromaticContact CE1-CD1 3.82Å; F66-Y108 HydrophobicContact CE1-CD1 3.82Å; F66-Y108 HydrophobicContact CE1-CE1 4Å; A67-Y108 WeakPolarHBondContact CA-OH 3.39Å; R68-Y108 HydrophobicContact CG-CE2 4.4Å; Y108-I137 HydrophobicContact CE2-CG2 3.86Å; Y108-V141 HydrophobicContact CD2-CB 4.41Å; Y108-V141 HydrophobicContact CD2-CG1 4.29Å; Y108-V141 HydrophobicContact CD2-CG2 4.18Å; Y108-V145 HydrophobicContact CD1-CG2 4.45Å; Y108-V145 HydrophobicContact CG-CG2 4.2Å
109T92.7Very high96.4Very high95 Ų9552.4 Ų52.458%0.58326%0.263SS*.THydrogen-bonded Turntrans-106-5.7-176.666.70000113.1D107 P111 P144D107-T109 VanDerWaalsContact C-N 3.25Å; D107-T109 PolarHBondContact O-N 3.43Å; D107-T109 WeakPolarHBondContact OD1-CA 3.39Å; D107-T109 WeakPolarHBondContact OD1-CB 3.23Å; D107-T109 PolarHBondContact OD1-N 2.99Å; D107-T109 PolarHBondContact OD1-OG1 3.22Å; T109-P111 WeakPolarHBondContact O-CD 3.42Å; T109-P144 HydrophobicContact CG2-CG 4.45Å
110N94.8Very high96.4Very high79 Ų7948.8 Ų48.842%0.42224%0.242SC..  trans-100.8108.3177.1-178.5-3.4000110.7D107 K112 T113D107-N110 HydrophobicContact CB-CB 4.15Å; D107-N110 PolarHBondContact OD1-N 3.43Å; N110-K112 PolarHBondContact O-N 3.18Å; N110-K112 VanDerWaalsContact O-N 3.09Å; N110-K112 WeakPolarHBondContact OD1-CB 3.33Å; N110-K112 PolarHBondContact OD1-N 2.77Å; N110-K112 VanDerWaalsContact OD1-N 3.11Å; N110-T113 HydrophobicContact CB-CG2 4.08Å; N110-T113 PolarHBondContact O-N 3.22Å; N110-T113 VanDerWaalsContact O-N 3.11Å; N110-T113 PolarHBondContact O-OG1 3.27Å
111P93.9Very high96.4Very high56 Ų5647.6 Ų47.636%0.36423%0.234SC..Hα-helixtrans-52-34179.6-3037.2000114.7T109 T113 F114 E115 Y152T109-P111 WeakPolarHBondContact O-CD 3.42Å; P111-T113 PolarHBondContact O-N 3.11Å; P111-T113 VanDerWaalsContact O-N 3.13Å; P111-F114 PolarHBondContact O-N 3.34Å; P111-E115 PolarHBondContact O-N 3.15Å; P111-Y152 HydrophobicContact CB-CE2 3.72Å
112K95.9Very high96.2Very high98 Ų9850.2 Ų50.243%0.42625%0.245SC..Hα-helixtrans-61.1-27.8-177.2-17263.5-168.2174.80112.8N110 F114 E115 L116N110-K112 PolarHBondContact O-N 3.18Å; N110-K112 VanDerWaalsContact O-N 3.09Å; N110-K112 WeakPolarHBondContact OD1-CB 3.33Å; N110-K112 PolarHBondContact OD1-N 2.77Å; N110-K112 VanDerWaalsContact OD1-N 3.11Å; K112-F114 VanDerWaalsContact C-N 3.31Å; K112-E115 WeakPolarHBondContact CD-OE2 3.27Å; K112-E115 WeakPolarHBondContact CE-OE2 3.33Å; K112-E115 IonicContact NZ-OE1 3.24Å; K112-E115 PolarHBondContact NZ-OE1 3.26Å; K112-E115 IonicContact NZ-OE2 3.97Å; K112-E115 PolarHBondContact NZ-OE2 2.97Å; K112-E115 PolarHBondContact O-N 3.47Å; K112-L116 WeakPolarHBondContact O-CG 3Å; K112-L116 PolarHBondContact O-N 2.92Å; K112-L116 VanDerWaalsContact O-N 3.1Å
113T96.8Very high96.1Very high16 Ų1652.3 Ų52.310%0.09827%0.267CS..Hα-helixtrans-72.3-28.2179.467.50000112M104 D107 N110 P111 L117M104-T113 WeakPolarHBondContact CE-O 3.44Å; D107-T113 PolarHBondContact O-OG1 2.88Å; N110-T113 HydrophobicContact CB-CG2 4.08Å; N110-T113 PolarHBondContact O-N 3.22Å; N110-T113 VanDerWaalsContact O-N 3.11Å; N110-T113 PolarHBondContact O-OG1 3.27Å; P111-T113 PolarHBondContact O-N 3.11Å; P111-T113 VanDerWaalsContact O-N 3.13Å; T113-L117 PolarHBondContact O-N 2.89Å
114F97.5Very high95.9Very high0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-78.6-33.3174.4-71.3-91.5000111.9F66 P111 K112 L117 N118 V145 I149 Y152 C153F66-F114 HydrophobicContact CE1-CE1 4.17Å; F66-F114 HydrophobicContact CE1-CE2 4.3Å; F66-F114 AromaticContact CE1-CZ 3.86Å; F66-F114 HydrophobicContact CE1-CZ 3.86Å; F66-F114 HydrophobicContact CZ-CE2 4.45Å; F66-F114 HydrophobicContact CZ-CZ 4.38Å; P111-F114 PolarHBondContact O-N 3.34Å; K112-F114 VanDerWaalsContact C-N 3.31Å; F114-L117 HydrophobicContact CD1-CD2 4.35Å; F114-L117 WeakPolarHBondContact O-CB 3.13Å; F114-L117 PolarHBondContact O-N 3.01Å; F114-N118 PolarHBondContact O-N 3.18Å; F114-V145 HydrophobicContact CE1-CG1 4.14Å; F114-V145 HydrophobicContact CZ-CB 4.26Å; F114-V145 HydrophobicContact CZ-CG1 4.04Å; F114-V145 HydrophobicContact CZ-CG2 4.05Å; F114-I149 HydrophobicContact CD1-CG1 3.91Å; F114-I149 HydrophobicContact CE1-CD1 4.31Å; F114-I149 HydrophobicContact CE1-CG1 3.8Å; F114-Y152 HydrophobicContact CB-CD2 4.23Å; F114-C153 PolarHBondContact O-SG 3.16Å
115E96.6Very high95.8Very high65 Ų6556.1 Ų56.130%0.30428%0.282SS..Hα-helixtrans-59.6-48168.9-166.6-175.9166.900111P111 K112 L117 N118 E119 Y152P111-E115 PolarHBondContact O-N 3.15Å; K112-E115 WeakPolarHBondContact CD-OE2 3.27Å; K112-E115 WeakPolarHBondContact CE-OE2 3.33Å; K112-E115 IonicContact NZ-OE1 3.24Å; K112-E115 PolarHBondContact NZ-OE1 3.26Å; K112-E115 IonicContact NZ-OE2 3.97Å; K112-E115 PolarHBondContact NZ-OE2 2.97Å; K112-E115 PolarHBondContact O-N 3.47Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 2.98Å; E115-N118 WeakPolarHBondContact O-CB 3.47Å; E115-N118 PolarHBondContact O-N 3.27Å; E115-N118 VanDerWaalsContact O-N 3.13Å; E115-E119 WeakPolarHBondContact O-CG 3.47Å; E115-E119 PolarHBondContact O-N 3.29Å; E115-Y152 HydrophobicContact CB-CD1 3.91Å; E115-Y152 HydrophobicContact CB-CE1 4.39Å; E115-Y152 HydrophobicContact CB-CG 4.31Å; E115-Y152 HydrophobicContact CG-CD1 4.12Å
116L97.3Very high95.5Very high81 Ų8150.6 Ų50.642%0.42427%0.271SS..Hα-helixtrans-61.6-34.6174.3-68.2172.2000112.5M104 K112 E119 F120M104-L116 HydrophobicContact CE-CB 4.46Å; K112-L116 WeakPolarHBondContact O-CG 3Å; K112-L116 PolarHBondContact O-N 2.92Å; K112-L116 VanDerWaalsContact O-N 3.1Å; L116-E119 PolarHBondContact O-N 3.23Å; L116-F120 WeakPolarHBondContact O-CB 3.38Å; L116-F120 PolarHBondContact O-N 2.86Å
117L97.5Very high95.1Very high0 Ų056.2 Ų56.20%030%0.295CS..Hα-helixtrans-64.7-43.2175.3179.659.7000110.7V31 V64 F66 M104 T113 F114 E115 F120 I121 F133V31-L117 HydrophobicContact CG1-CD1 4.47Å; V31-L117 HydrophobicContact CG1-CD2 4.06Å; V64-L117 HydrophobicContact CG1-CD1 3.93Å; F66-L117 HydrophobicContact CD2-CD1 4.48Å; F66-L117 HydrophobicContact CD2-CD2 4.43Å; M104-L117 VanDerWaalsContact CE-CA 3.41Å; M104-L117 HydrophobicContact CE-CB 3.46Å; M104-L117 VanDerWaalsContact CE-CB 3.46Å; M104-L117 HydrophobicContact CE-CD1 3.91Å; M104-L117 HydrophobicContact CE-CG 4.23Å; M104-L117 HydrophobicContact SD-CB 4.4Å; M104-L117 HydrophobicContact SD-CD1 4.3Å; T113-L117 PolarHBondContact O-N 2.89Å; F114-L117 HydrophobicContact CD1-CD2 4.35Å; F114-L117 WeakPolarHBondContact O-CB 3.13Å; F114-L117 PolarHBondContact O-N 3.01Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 2.98Å; L117-F120 PolarHBondContact O-N 2.68Å; L117-I121 HydrophobicContact CD1-CD1 4.17Å; L117-I121 HydrophobicContact CD1-CG1 4.47Å; L117-I121 HydrophobicContact CG-CD1 4.14Å; L117-I121 VanDerWaalsContact O-CG1 3.31Å; L117-I121 WeakPolarHBondContact O-CG1 3.37Å; L117-I121 PolarHBondContact O-N 3.05Å; L117-F133 HydrophobicContact CD2-CE1 4.24Å
118N96.5Very high94.8Very high25 Ų2555.8 Ų55.813%0.13430%0.3CS..Hα-helixtrans-63.1-48.3175.9-176.265.8000111.5F114 E115 F120 I121 E122 R131 Y152F114-N118 PolarHBondContact O-N 3.18Å; E115-N118 WeakPolarHBondContact O-CB 3.47Å; E115-N118 PolarHBondContact O-N 3.27Å; E115-N118 VanDerWaalsContact O-N 3.13Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 3.13Å; N118-I121 PolarHBondContact O-N 3.48Å; N118-E122 PolarHBondContact ND2-OE1 3.12Å; N118-E122 WeakPolarHBondContact O-CG 3.39Å; N118-E122 PolarHBondContact O-N 2.87Å; N118-E122 PolarHBondContact OD1-OE1 3.27Å; N118-R131 PolarHBondContact OD1-NH1 2.82Å; N118-R131 PolarHBondContact OD1-NH2 3.32Å; N118-R131 VanDerWaalsContact OD1-NH2 3.1Å; N118-Y152 VanDerWaalsContact CB-O 3.23Å; N118-Y152 WeakPolarHBondContact CB-O 3.21Å; N118-Y152 PolarHBondContact OD1-O 3.42Å
119E96.5Very high94.7Very high94 Ų9455.1 Ų55.144%0.43930%0.297SS..Hα-helixtrans-56.9-42.2176.1-71.1174.5-170.600111.6E115 L116 E122 S123E115-E119 WeakPolarHBondContact O-CG 3.47Å; E115-E119 PolarHBondContact O-N 3.29Å; L116-E119 PolarHBondContact O-N 3.23Å; E119-E122 PolarHBondContact O-N 3.21Å; E119-S123 VanDerWaalsContact O-CB 3.23Å; E119-S123 WeakPolarHBondContact O-CB 3.38Å; E119-S123 PolarHBondContact O-N 3.27Å; E119-S123 PolarHBondContact O-OG 2.95Å
120F97Very high94.8Very high45 Ų4550.6 Ų50.620%0.19727%0.269CS..Hα-helixtrans-60.2-49.1175.9178.9-97.8000111.7V64 F102 M104 L116 L117 N118 S123 K124 W125V64-F120 HydrophobicContact CG1-CD1 4.44Å; V64-F120 HydrophobicContact CG1-CE1 4.28Å; V64-F120 HydrophobicContact CG2-CD1 4.44Å; V64-F120 HydrophobicContact CG2-CE1 4Å; F102-F120 HydrophobicContact CB-CE1 3.99Å; F102-F120 HydrophobicContact CB-CZ 3.77Å; F102-F120 AromaticContact CD1-CZ 3.93Å; F102-F120 HydrophobicContact CD1-CZ 3.93Å; F102-F120 HydrophobicContact CG-CE1 4.28Å; F102-F120 AromaticContact CG-CZ 3.88Å; F102-F120 HydrophobicContact CG-CZ 3.88Å; M104-F120 HydrophobicContact SD-CB 4.09Å; M104-F120 HydrophobicContact SD-CG 4.44Å; L116-F120 WeakPolarHBondContact O-CB 3.38Å; L116-F120 PolarHBondContact O-N 2.86Å; L117-F120 PolarHBondContact O-N 2.68Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 3.13Å; F120-S123 PolarHBondContact O-N 3.38Å; F120-S123 PolarHBondContact O-OG 3.07Å; F120-K124 HydrophobicContact CE2-CG 4.35Å; F120-K124 HydrophobicContact CZ-CG 4.24Å; F120-K124 WeakPolarHBondContact O-CG 3.42Å; F120-K124 PolarHBondContact O-N 3.34Å; F120-W125 HydrophobicContact CE1-CH2 4.13Å; F120-W125 HydrophobicContact CE1-CZ3 4.25Å
121I96.1Very high95Very high0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-62.2-47.7179.3-67.5169.2000110.7V29 V31 L117 N118 K124 W125 V129V29-I121 HydrophobicContact CG1-CD1 4.21Å; V29-I121 HydrophobicContact CG1-CG1 4.25Å; V29-I121 HydrophobicContact CG2-CG2 4.37Å; V31-I121 HydrophobicContact CG2-CD1 4Å; L117-I121 HydrophobicContact CD1-CD1 4.17Å; L117-I121 HydrophobicContact CD1-CG1 4.47Å; L117-I121 HydrophobicContact CG-CD1 4.14Å; L117-I121 VanDerWaalsContact O-CG1 3.31Å; L117-I121 WeakPolarHBondContact O-CG1 3.37Å; L117-I121 PolarHBondContact O-N 3.05Å; N118-I121 PolarHBondContact O-N 3.48Å; I121-K124 PolarHBondContact O-N 3.25Å; I121-W125 HydrophobicContact CB-CE3 4.35Å; I121-W125 HydrophobicContact CB-CZ3 4.42Å; I121-W125 HydrophobicContact CG1-CZ3 4.22Å; I121-W125 HydrophobicContact CG2-CE3 4.04Å; I121-W125 HydrophobicContact CG2-CZ3 4.47Å; I121-W125 PolarHBondContact O-N 2.8Å; I121-V129 HydrophobicContact CG2-CG1 4.45Å
122E94.2Very high95.2Very high60 Ų6044.3 Ų44.328%0.2823%0.232SC..Hα-helixtrans-66.2-39.4-178.7-71.9-172.6-163.300112.5N118 E119 K124 G126 Q127 R131N118-E122 PolarHBondContact ND2-OE1 3.12Å; N118-E122 WeakPolarHBondContact O-CG 3.39Å; N118-E122 PolarHBondContact O-N 2.87Å; N118-E122 PolarHBondContact OD1-OE1 3.27Å; E119-E122 PolarHBondContact O-N 3.21Å; E122-K124 PolarHBondContact O-N 2.96Å; E122-G126 WeakPolarHBondContact O-CA 3.5Å; E122-G126 PolarHBondContact O-N 3.08Å; E122-Q127 HydrophobicContact CG-CG 3.95Å; E122-Q127 WeakPolarHBondContact OE2-CG 3.38Å; E122-Q127 PolarHBondContact OE2-NE2 3.4Å; E122-R131 IonicContact OE1-NH2 3.33Å
123S95.9Very high95.3Very high95 Ų9539.6 Ų39.666%0.66421%0.212SC*.Hα-helixtrans-64.3-29.7178.371.30000113E119 F120E119-S123 VanDerWaalsContact O-CB 3.23Å; E119-S123 WeakPolarHBondContact O-CB 3.38Å; E119-S123 PolarHBondContact O-N 3.27Å; E119-S123 PolarHBondContact O-OG 2.95Å; F120-S123 PolarHBondContact O-N 3.38Å; F120-S123 PolarHBondContact O-OG 3.07Å
124K95.3Very high95.4Very high112 Ų11238.9 Ų38.949%0.48721%0.207SC..Hα-helixtrans-88-41.5-178-73-72.4-172.5176.10113.1F120 I121 E122F120-K124 HydrophobicContact CE2-CG 4.35Å; F120-K124 HydrophobicContact CZ-CG 4.24Å; F120-K124 WeakPolarHBondContact O-CG 3.42Å; F120-K124 PolarHBondContact O-N 3.34Å; I121-K124 PolarHBondContact O-N 3.25Å; E122-K124 PolarHBondContact O-N 2.96Å
125W94.1Very high95.4Very high35 Ų3538.9 Ų38.913%0.13321%0.207CC..Hα-helixtrans-131.22.2-167.3-54.3-68.4000114.3V27 V29 Y62 V64 F102 F120 I121 V129V27-W125 HydrophobicContact CB-CB 4.42Å; V27-W125 HydrophobicContact CG1-CB 3.73Å; V27-W125 HydrophobicContact CG1-CG 3.78Å; V27-W125 HydrophobicContact CG2-CB 4.47Å; V29-W125 HydrophobicContact CG1-CZ3 4.18Å; V29-W125 HydrophobicContact CG2-CD2 3.89Å; V29-W125 HydrophobicContact CG2-CE3 3.46Å; V29-W125 VanDerWaalsContact CG2-CE3 3.46Å; V29-W125 HydrophobicContact CG2-CH2 4.39Å; V29-W125 HydrophobicContact CG2-CZ3 3.75Å; Y62-W125 AromaticContact CD1-CE2 3.92Å; Y62-W125 AromaticContact CD1-CZ2 3.79Å; Y62-W125 HydrophobicContact CD1-CZ2 3.79Å; Y62-W125 AromaticContact CD1-NE1 3.57Å; Y62-W125 AromaticContact CD2-CD1 3.67Å; Y62-W125 HydrophobicContact CD2-CD2 4.28Å; Y62-W125 AromaticContact CD2-CE2 3.61Å; Y62-W125 HydrophobicContact CD2-CG 4.31Å; Y62-W125 HydrophobicContact CD2-CZ2 4.1Å; Y62-W125 AromaticContact CD2-NE1 3.17Å; Y62-W125 AromaticContact CE1-NE1 3.63Å; Y62-W125 AromaticContact CE2-CD1 3.5Å; Y62-W125 VanDerWaalsContact CE2-CD1 3.5Å; Y62-W125 HydrophobicContact CE2-CG 4.46Å; Y62-W125 AromaticContact CE2-NE1 3.23Å; Y62-W125 HydrophobicContact CG-CD2 4.47Å; Y62-W125 AromaticContact CG-CE2 3.47Å; Y62-W125 VanDerWaalsContact CG-CE2 3.47Å; Y62-W125 HydrophobicContact CG-CH2 4.48Å; Y62-W125 AromaticContact CG-CZ2 3.48Å; Y62-W125 HydrophobicContact CG-CZ2 3.48Å; Y62-W125 VanDerWaalsContact CG-CZ2 3.48Å; Y62-W125 AromaticContact CG-NE1 3.34Å; Y62-W125 VanDerWaalsContact CG-NE1 3.34Å; Y62-W125 AromaticContact CZ-CD1 3.98Å; Y62-W125 AromaticContact CZ-NE1 3.46Å; V64-W125 HydrophobicContact CG2-CH2 3.92Å; V64-W125 HydrophobicContact CG2-CZ3 4.07Å; F102-W125 AromaticContact CD2-CH2 3.86Å; F102-W125 HydrophobicContact CD2-CH2 3.86Å; F102-W125 AromaticContact CD2-CZ2 3.86Å; F102-W125 HydrophobicContact CD2-CZ2 3.86Å; F102-W125 HydrophobicContact CE2-CH2 4.07Å; F102-W125 AromaticContact CE2-CZ2 3.58Å; F102-W125 HydrophobicContact CE2-CZ2 3.58Å; F102-W125 HydrophobicContact CZ-CZ2 4.36Å; F120-W125 HydrophobicContact CE1-CH2 4.13Å; F120-W125 HydrophobicContact CE1-CZ3 4.25Å; I121-W125 HydrophobicContact CB-CE3 4.35Å; I121-W125 HydrophobicContact CB-CZ3 4.42Å; I121-W125 HydrophobicContact CG1-CZ3 4.22Å; I121-W125 HydrophobicContact CG2-CE3 4.04Å; I121-W125 HydrophobicContact CG2-CZ3 4.47Å; I121-W125 PolarHBondContact O-N 2.8Å; W125-V129 HydrophobicContact CB-CG2 3.76Å
126G91Very high95.3Very high31 Ų3136.5 Ų36.532%0.3220%0.199SC..  trans77.9-168.6-178.100000113.4E122 V129E122-G126 WeakPolarHBondContact O-CA 3.5Å; E122-G126 PolarHBondContact O-N 3.08Å; G126-V129 VanDerWaalsContact O-CG2 3.27Å; G126-V129 WeakPolarHBondContact O-CG2 3.28Å
127Q87.1Confident95.2Very high124 Ų12433.3 Ų33.358%0.57918%0.182SC*.SBendtrans-90.9-17.9-175.5-70.7177.1-3.600113.3E122 V129 N155E122-Q127 HydrophobicContact CG-CG 3.95Å; E122-Q127 WeakPolarHBondContact OE2-CG 3.38Å; E122-Q127 PolarHBondContact OE2-NE2 3.4Å; Q127-V129 VanDerWaalsContact C-N 3.35Å; Q127-V129 PolarHBondContact O-N 2.87Å; Q127-V129 VanDerWaalsContact O-N 3.16Å; Q127-N155 PolarHBondContact O-ND2 2.72Å; Q127-N155 PolarHBondContact O-OD1 2.88Å; Q127-N155 VanDerWaalsContact O-OD1 3.09Å
128A89.1Confident94.9Very high46 Ų4636.8 Ų36.838%0.3821%0.205SC..  trans-91.267.2179.800000111.3T160A128-T160 HydrophobicContact CB-CG2 4.37Å
129V93.2Very high94.5Very high0 Ų037.7 Ų37.70%021%0.212CC..EExtended strand (participates in β ladder)trans-125.2128.4-175.5-177.60000110.5V27 V29 I121 W125 G126 Q127 R131 N155V27-V129 HydrophobicContact CB-CG1 4.29Å; V27-V129 HydrophobicContact CB-CG2 4.17Å; V27-V129 HydrophobicContact CG1-CG1 4.1Å; V27-V129 HydrophobicContact CG1-CG2 4.34Å; V27-V129 CarbonylContact O-C 3.53Å; V27-V129 WeakPolarHBondContact O-CA 3.4Å; V27-V129 WeakPolarHBondContact O-CG1 3.41Å; V29-V129 HydrophobicContact CB-CG1 3.86Å; V29-V129 HydrophobicContact CG2-CG1 3.46Å; V29-V129 VanDerWaalsContact CG2-CG1 3.46Å; I121-V129 HydrophobicContact CG2-CG1 4.45Å; W125-V129 HydrophobicContact CB-CG2 3.76Å; G126-V129 VanDerWaalsContact O-CG2 3.27Å; G126-V129 WeakPolarHBondContact O-CG2 3.28Å; Q127-V129 VanDerWaalsContact C-N 3.35Å; Q127-V129 PolarHBondContact O-N 2.87Å; Q127-V129 VanDerWaalsContact O-N 3.16Å; V129-R131 HydrophobicContact CG1-CG 4.21Å; V129-N155 PolarHBondContact N-ND2 2.82Å; V129-N155 PolarHBondContact O-ND2 2.82Å
130N95.4Very high94.2Very high1 Ų138 Ų381%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-73.2127.8167.1-72.5-30.8000109.5D23 H26 V27 H28 V29 T160 W161D23-N130 PolarHBondContact OD1-ND2 2.81Å; D23-N130 PolarHBondContact OD2-ND2 3.45Å; H26-N130 WeakPolarHBondContact CB-ND2 3.26Å; V27-N130 PolarHBondContact O-N 2.69Å; H28-N130 CarbonylContact C-O 3.38Å; H28-N130 WeakPolarHBondContact CA-O 3.29Å; H28-N130 PolarHBondContact NE2-ND2 3.41Å; V29-N130 PolarHBondContact N-O 2.99Å; N130-T160 VanDerWaalsContact OD1-CA 3.29Å; N130-T160 WeakPolarHBondContact OD1-CA 3.26Å; N130-W161 HydrophobicContact CB-CD2 3.94Å; N130-W161 HydrophobicContact CB-CE3 4.23Å; N130-W161 HydrophobicContact CB-CH2 3.99Å; N130-W161 HydrophobicContact CB-CZ2 3.67Å; N130-W161 HydrophobicContact CB-CZ3 4.24Å; N130-W161 VanDerWaalsContact CG-CE2 3.46Å; N130-W161 VanDerWaalsContact CG-NE1 3.3Å; N130-W161 PolarHBondContact ND2-NE1 3.42Å; N130-W161 VanDerWaalsContact OD1-CD1 3.3Å; N130-W161 PolarHBondContact OD1-N 2.91Å; N130-W161 PolarHBondContact OD1-NE1 2.96Å
131R97.2Very high94.1Very high1 Ų136.9 Ų36.90%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-118.9124.6-171.8-62.4177.7-175.5-172.3-3111.3V29 N118 E122 V129 F133 C153 W161 T162 R163V29-R131 WeakPolarHBondContact O-CA 3.36Å; N118-R131 PolarHBondContact OD1-NH1 2.82Å; N118-R131 PolarHBondContact OD1-NH2 3.32Å; N118-R131 VanDerWaalsContact OD1-NH2 3.1Å; E122-R131 IonicContact OE1-NH2 3.33Å; V129-R131 HydrophobicContact CG1-CG 4.21Å; R131-F133 HydrophobicContact CB-CE2 3.82Å; R131-F133 HydrophobicContact CB-CZ 4.3Å; R131-C153 WeakPolarHBondContact CD-O 3.29Å; R131-C153 VanDerWaalsContact NH1-C 3.35Å; R131-C153 PolarHBondContact NH1-O 2.92Å; R131-W161 PolarHBondContact N-O 3.5Å; R131-T162 CarbonylContact O-C 3.58Å; R131-T162 VanDerWaalsContact O-CA 3.3Å; R131-T162 WeakPolarHBondContact O-CA 3.36Å; R131-R163 PolarHBondContact O-N 3.42Å
132I98.2Very high94Very high1 Ų137 Ų371%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-108.2129.3168.5-60172.5000108V29 L30 V31 W161 R163 I165 V444 F445V29-I132 PolarHBondContact O-N 3.41Å; L30-I132 CarbonylContact C-O 3.46Å; L30-I132 WeakPolarHBondContact CA-O 3.37Å; L30-I132 HydrophobicContact CB-CB 4.22Å; L30-I132 HydrophobicContact CD1-CB 4.35Å; L30-I132 HydrophobicContact CD1-CD1 4.25Å; L30-I132 HydrophobicContact CD1-CG2 4.12Å; L30-I132 HydrophobicContact CG-CB 3.95Å; L30-I132 HydrophobicContact CG-CG2 3.94Å; V31-I132 PolarHBondContact N-O 3.16Å; I132-W161 HydrophobicContact CD1-CH2 3.88Å; I132-W161 HydrophobicContact CD1-CZ3 4.23Å; I132-W161 HydrophobicContact CG1-CH2 3.59Å; I132-W161 HydrophobicContact CG1-CZ3 3.43Å; I132-W161 VanDerWaalsContact CG1-CZ3 3.43Å; I132-R163 CarbonylContact C-O 3.57Å; I132-R163 WeakPolarHBondContact CA-O 3.31Å; I132-I165 HydrophobicContact CG2-CD1 3.64Å; I132-I165 HydrophobicContact CG2-CG1 3.94Å; I132-V444 HydrophobicContact CD1-CG1 3.99Å; I132-V444 HydrophobicContact CG1-CG1 4.21Å; I132-V444 HydrophobicContact CG2-CG1 4.19Å; I132-F445 HydrophobicContact CD1-CD1 3.94Å; I132-F445 HydrophobicContact CD1-CD2 3.8Å; I132-F445 HydrophobicContact CD1-CE1 3.83Å; I132-F445 HydrophobicContact CD1-CE2 3.66Å; I132-F445 HydrophobicContact CD1-CG 3.93Å; I132-F445 HydrophobicContact CD1-CZ 3.68Å
133F98.4Very high93.9Very high0 Ų039.2 Ų39.20%023%0.231CC..EExtended strand (participates in β ladder)trans-110.7112.7169.7-62.4-90.1000109.8V31 I33 L117 R131 Y135 I149 C153 T162 R163 L164 I165V31-F133 HydrophobicContact CB-CD1 3.64Å; V31-F133 HydrophobicContact CB-CE1 3.92Å; V31-F133 HydrophobicContact CB-CG 4.49Å; V31-F133 HydrophobicContact CG1-CD1 4.07Å; V31-F133 HydrophobicContact CG1-CE1 4.29Å; V31-F133 HydrophobicContact CG2-CD1 3.91Å; V31-F133 HydrophobicContact CG2-CE1 3.67Å; V31-F133 HydrophobicContact CG2-CZ 4.38Å; I33-F133 HydrophobicContact CD1-CB 4.33Å; I33-F133 HydrophobicContact CD1-CD1 4.14Å; L117-F133 HydrophobicContact CD2-CE1 4.24Å; R131-F133 HydrophobicContact CB-CE2 3.82Å; R131-F133 HydrophobicContact CB-CZ 4.3Å; F133-Y135 HydrophobicContact CB-CD1 4.39Å; F133-Y135 HydrophobicContact CB-CE1 3.92Å; F133-I149 HydrophobicContact CB-CD1 4.07Å; F133-I149 HydrophobicContact CD1-CD1 3.77Å; F133-I149 HydrophobicContact CD1-CG1 4.1Å; F133-I149 HydrophobicContact CD2-CD1 4.45Å; F133-I149 HydrophobicContact CD2-CG2 3.82Å; F133-I149 HydrophobicContact CE1-CD1 4.35Å; F133-I149 HydrophobicContact CE1-CG1 4.19Å; F133-I149 HydrophobicContact CE1-CG2 4.43Å; F133-I149 HydrophobicContact CE2-CG2 3.7Å; F133-I149 HydrophobicContact CG-CD1 3.84Å; F133-I149 HydrophobicContact CG-CG1 4.42Å; F133-I149 HydrophobicContact CG-CG2 4.26Å; F133-I149 HydrophobicContact CZ-CG2 4.05Å; F133-C153 HydrophobicContact CE1-CB 4.17Å; F133-C153 HydrophobicContact CE2-CB 4.43Å; F133-C153 HydrophobicContact CZ-CB 3.62Å; F133-T162 HydrophobicContact CD2-CG2 3.97Å; F133-T162 HydrophobicContact CE2-CG2 3.78Å; F133-R163 PolarHBondContact N-O 3.28Å; F133-L164 HydrophobicContact CB-CD2 3.75Å; F133-L164 HydrophobicContact CD2-CD2 3.93Å; F133-L164 HydrophobicContact CG-CD2 4.2Å; F133-L164 WeakPolarHBondContact O-CA 3.46Å; F133-I165 PolarHBondContact O-N 3.49Å
134Y98.5Very high93.9Very high0 Ų036.4 Ų36.40%021%0.21CC..EExtended strand (participates in β ladder)trans-93.3119.2177.4-163.9-57.3000110.2V31 I33 L39 T44 A136 I165 E167 Y437 I441V31-Y134 PolarHBondContact O-N 2.83Å; I33-Y134 PolarHBondContact N-O 3.11Å; L39-Y134 HydrophobicContact CD2-CE1 4.44Å; T44-Y134 HydrophobicContact CG2-CD2 4.01Å; T44-Y134 HydrophobicContact CG2-CE2 4.02Å; T44-Y134 HydrophobicContact CG2-CG 4.3Å; Y134-A136 HydrophobicContact CD1-CB 4.14Å; Y134-A136 HydrophobicContact CE1-CB 4.31Å; Y134-A136 PolarHBondContact O-N 3.29Å; Y134-I165 HydrophobicContact CD2-CB 4.03Å; Y134-I165 HydrophobicContact CD2-CD1 3.69Å; Y134-I165 HydrophobicContact CD2-CG1 4.46Å; Y134-I165 HydrophobicContact CD2-CG2 3.91Å; Y134-I165 HydrophobicContact CE1-CG2 4.47Å; Y134-I165 HydrophobicContact CE2-CB 4.44Å; Y134-I165 HydrophobicContact CE2-CD1 4.2Å; Y134-I165 HydrophobicContact CE2-CG2 3.8Å; Y134-I165 HydrophobicContact CG-CB 4.2Å; Y134-I165 HydrophobicContact CG-CD1 4.49Å; Y134-I165 HydrophobicContact CG-CG2 4.3Å; Y134-E167 HydrophobicContact CE1-CG 4.09Å; Y134-E167 PolarHBondContact OH-OE1 2.82Å; Y134-Y437 WeakPolarHBondContact OH-CD1 3.36Å; Y134-Y437 WeakPolarHBondContact OH-CE1 3.3Å; Y134-I441 HydrophobicContact CD2-CD1 4.42Å; Y134-I441 HydrophobicContact CE2-CD1 3.89Å; Y134-I441 HydrophobicContact CE2-CG1 4.09Å
135Y97.4Very high94Very high0 Ų031.1 Ų31.10%019%0.187CC..EExtended strand (participates in β ladder)trans-9178.6-177.8-73.722.6000111.2I33 F133 I137 Y142 V145 S146 I149 L164 I165 I166I33-Y135 HydrophobicContact CD1-CD1 3.96Å; I33-Y135 HydrophobicContact CD1-CE1 3.78Å; F133-Y135 HydrophobicContact CB-CD1 4.39Å; F133-Y135 HydrophobicContact CB-CE1 3.92Å; Y135-I137 HydrophobicContact CD2-CD1 4.2Å; Y135-I137 HydrophobicContact CG-CD1 4.15Å; Y135-I137 HydrophobicContact CG-CG1 4.43Å; Y135-I137 PolarHBondContact O-N 3.34Å; Y135-Y142 AromaticContact CD2-CD1 3.68Å; Y135-Y142 HydrophobicContact CD2-CD1 3.68Å; Y135-Y142 HydrophobicContact CD2-CD2 4.4Å; Y135-Y142 AromaticContact CD2-CE1 3.82Å; Y135-Y142 HydrophobicContact CD2-CE1 3.82Å; Y135-Y142 AromaticContact CD2-CG 3.98Å; Y135-Y142 HydrophobicContact CD2-CG 3.98Å; Y135-Y142 HydrophobicContact CE2-CD1 4.39Å; Y135-Y142 HydrophobicContact CE2-CG 4.39Å; Y135-Y142 HydrophobicContact CG-CE1 4.39Å; Y135-V145 HydrophobicContact CE1-CG1 3.93Å; Y135-V145 HydrophobicContact CE2-CG1 4.15Å; Y135-S146 WeakPolarHBondContact CE2-OG 3.48Å; Y135-S146 VanDerWaalsContact OH-CA 3.31Å; Y135-S146 WeakPolarHBondContact OH-CA 3.43Å; Y135-S146 PolarHBondContact OH-OG 3.22Å; Y135-I149 HydrophobicContact CE1-CD1 3.72Å; Y135-I149 WeakPolarHBondContact OH-CD1 3.35Å; Y135-L164 HydrophobicContact CE1-CD2 4.23Å; Y135-I165 WeakPolarHBondContact CB-O 3.47Å; Y135-I165 PolarHBondContact N-O 2.93Å; Y135-I166 HydrophobicContact CD2-CG2 3.63Å; Y135-I166 HydrophobicContact CE2-CG2 4.06Å; Y135-I166 HydrophobicContact CG-CG2 3.95Å
136A96.3Very high94.1Very high16 Ų1629.4 Ų29.413%0.13218%0.181CC..  trans-83.845.317000000111.3I32 I33 L39 A40 Y134I32-A136 HydrophobicContact CG2-CB 4.41Å; I33-A136 CarbonylContact O-C 3.57Å; I33-A136 WeakPolarHBondContact O-CA 3.4Å; I33-A136 WeakPolarHBondContact O-CB 3.41Å; I33-A136 PolarHBondContact O-N 2.79Å; L39-A136 HydrophobicContact CD2-CB 4.13Å; A40-A136 HydrophobicContact CB-CB 4.46Å; Y134-A136 HydrophobicContact CD1-CB 4.14Å; Y134-A136 HydrophobicContact CE1-CB 4.31Å; Y134-A136 PolarHBondContact O-N 3.29Å
137I94.9Very high94.3Very high14 Ų1430 Ų307%0.07218%0.18CC..SBendtrans-130.4159.9-173.460.9-169000110.9I33 Y108 Y135 V141 Y142 V145I33-I137 HydrophobicContact CB-CD1 4.42Å; I33-I137 HydrophobicContact CB-CG2 4.42Å; I33-I137 HydrophobicContact CG2-CD1 3.7Å; I33-I137 HydrophobicContact CG2-CG2 3.75Å; I33-I137 WeakPolarHBondContact O-CG2 3.4Å; Y108-I137 HydrophobicContact CE2-CG2 3.86Å; Y135-I137 HydrophobicContact CD2-CD1 4.2Å; Y135-I137 HydrophobicContact CG-CD1 4.15Å; Y135-I137 HydrophobicContact CG-CG1 4.43Å; Y135-I137 PolarHBondContact O-N 3.34Å; I137-V141 HydrophobicContact CB-CG2 3.69Å; I137-V141 HydrophobicContact CD1-CG2 3.59Å; I137-V141 HydrophobicContact CG1-CG2 3.67Å; I137-V141 HydrophobicContact CG2-CG2 4.5Å; I137-Y142 HydrophobicContact CD1-CD1 4.21Å; I137-Y142 HydrophobicContact CD1-CE1 4.39Å; I137-Y142 HydrophobicContact CG1-CD1 3.87Å; I137-Y142 HydrophobicContact CG1-CE1 3.63Å; I137-Y142 WeakPolarHBondContact O-CE1 3.47Å; I137-V145 HydrophobicContact CD1-CB 4.27Å; I137-V145 HydrophobicContact CD1-CG1 4.19Å; I137-V145 HydrophobicContact CD1-CG2 3.86Å
138P91Very high94.8Very high72 Ų7224.5 Ų24.547%0.46816%0.155SC..  trans-66.6152.4175.326.2-34.2000112.3S140 V141 Y142P138-S140 PolarHBondContact O-N 2.82Å; P138-S140 VanDerWaalsContact O-N 3.1Å; P138-V141 HydrophobicContact CG-CG2 4.21Å; P138-V141 WeakPolarHBondContact O-CG2 3.43Å; P138-V141 PolarHBondContact O-N 3.26Å; P138-Y142 WeakPolarHBondContact O-CD1 3.45Å
139P88.4Confident95.2Very high44 Ų4422.3 Ų22.329%0.28614%0.137SC..G310 helixtrans-57.6-27.7-179.2-23.529.8000114.7V141 Y142 P169P139-V141 PolarHBondContact O-N 3.27Å; P139-V141 VanDerWaalsContact O-N 3.07Å; P139-Y142 WeakPolarHBondContact O-CB 3.23Å; P139-Y142 PolarHBondContact O-N 3.35Å; P139-P169 HydrophobicContact CG-CG 3.7Å
140S89.8Confident95.3Very high101 Ų10126.3 Ų26.371%0.70616%0.155SC*.G310 helixtrans-59.8-20.6-179.655.70000113.9P138P138-S140 PolarHBondContact O-N 2.82Å; P138-S140 VanDerWaalsContact O-N 3.1Å
141V93.8Very high95.3Very high22 Ų2232.6 Ų32.613%0.13318%0.184CC..G310 helixtrans-105.51.8177.2-63.30000113.4Y108 I137 P138 P139 K143 P144 V145Y108-V141 HydrophobicContact CD2-CB 4.41Å; Y108-V141 HydrophobicContact CD2-CG1 4.29Å; Y108-V141 HydrophobicContact CD2-CG2 4.18Å; I137-V141 HydrophobicContact CB-CG2 3.69Å; I137-V141 HydrophobicContact CD1-CG2 3.59Å; I137-V141 HydrophobicContact CG1-CG2 3.67Å; I137-V141 HydrophobicContact CG2-CG2 4.5Å; P138-V141 HydrophobicContact CG-CG2 4.21Å; P138-V141 WeakPolarHBondContact O-CG2 3.43Å; P138-V141 PolarHBondContact O-N 3.26Å; P139-V141 PolarHBondContact O-N 3.27Å; P139-V141 VanDerWaalsContact O-N 3.07Å; V141-K143 PolarHBondContact O-N 3.12Å; V141-P144 HydrophobicContact CB-CG 4.4Å; V141-P144 VanDerWaalsContact O-CD 3.29Å; V141-P144 WeakPolarHBondContact O-CD 3.38Å; V141-P144 WeakPolarHBondContact O-CG 3.39Å; V141-V145 HydrophobicContact CB-CG2 4.33Å; V141-V145 VanDerWaalsContact O-CB 3.28Å; V141-V145 WeakPolarHBondContact O-CB 3.36Å; V141-V145 WeakPolarHBondContact O-CG2 3.4Å; V141-V145 PolarHBondContact O-N 3.45Å; V141-V145 VanDerWaalsContact O-N 3.16Å
142Y94.4Very high95.3Very high1 Ų135.6 Ų35.60%0.00420%0.196CC..Hα-helixtrans-59.4-48.1-179.4-77.813.5000111.2Y135 I137 P138 P139 V145 S146 I166 E167 L180Y135-Y142 AromaticContact CD2-CD1 3.68Å; Y135-Y142 HydrophobicContact CD2-CD1 3.68Å; Y135-Y142 HydrophobicContact CD2-CD2 4.4Å; Y135-Y142 AromaticContact CD2-CE1 3.82Å; Y135-Y142 HydrophobicContact CD2-CE1 3.82Å; Y135-Y142 AromaticContact CD2-CG 3.98Å; Y135-Y142 HydrophobicContact CD2-CG 3.98Å; Y135-Y142 HydrophobicContact CE2-CD1 4.39Å; Y135-Y142 HydrophobicContact CE2-CG 4.39Å; Y135-Y142 HydrophobicContact CG-CE1 4.39Å; I137-Y142 HydrophobicContact CD1-CD1 4.21Å; I137-Y142 HydrophobicContact CD1-CE1 4.39Å; I137-Y142 HydrophobicContact CG1-CD1 3.87Å; I137-Y142 HydrophobicContact CG1-CE1 3.63Å; I137-Y142 WeakPolarHBondContact O-CE1 3.47Å; P138-Y142 WeakPolarHBondContact O-CD1 3.45Å; P139-Y142 WeakPolarHBondContact O-CB 3.23Å; P139-Y142 PolarHBondContact O-N 3.35Å; Y142-V145 PolarHBondContact O-N 3.33Å; Y142-S146 VanDerWaalsContact O-CB 3.26Å; Y142-S146 WeakPolarHBondContact O-CB 3.41Å; Y142-S146 PolarHBondContact O-N 3.45Å; Y142-S146 PolarHBondContact O-OG 2.86Å; Y142-I166 HydrophobicContact CE2-CB 4.05Å; Y142-I166 HydrophobicContact CE2-CG2 4.43Å; Y142-E167 PolarHBondContact OH-N 2.9Å; Y142-E167 VanDerWaalsContact OH-N 3.11Å; Y142-E167 PolarHBondContact OH-O 2.93Å; Y142-L180 HydrophobicContact CD2-CD1 4.2Å
143K92.9Very high95.1Very high107 Ų10735.5 Ų35.547%0.46520%0.195SC..Hα-helixtrans-56.9-57.2179.7174.8171.4172.9156.20114.3V141 V145 S146 S147 E183V141-K143 PolarHBondContact O-N 3.12Å; K143-V145 VanDerWaalsContact C-N 3.31Å; K143-V145 PolarHBondContact O-N 3.18Å; K143-S146 PolarHBondContact O-N 3.43Å; K143-S147 WeakPolarHBondContact O-CB 3.45Å; K143-S147 PolarHBondContact O-N 2.8Å; K143-S147 PolarHBondContact O-OG 3.1Å; K143-E183 HydrophobicContact CD-CG 4.19Å; K143-E183 WeakPolarHBondContact CD-OE2 3.49Å; K143-E183 WeakPolarHBondContact CE-OE2 3.49Å; K143-E183 IonicContact NZ-OE2 3.18Å; K143-E183 PolarHBondContact NZ-OE2 3.4Å
144P95.1Very high94.8Very high37 Ų3737 Ų3724%0.2420%0.204CC..Hα-helixtrans-63.8-36.3-179.422.9-33.2000112.6T109 V141 S148T109-P144 HydrophobicContact CG2-CG 4.45Å; V141-P144 HydrophobicContact CB-CG 4.4Å; V141-P144 VanDerWaalsContact O-CD 3.29Å; V141-P144 WeakPolarHBondContact O-CD 3.38Å; V141-P144 WeakPolarHBondContact O-CG 3.39Å; P144-S148 WeakPolarHBondContact O-CB 3.36Å; P144-S148 PolarHBondContact O-N 2.76Å; P144-S148 PolarHBondContact O-OG 3.44Å
145V97.1Very high93.9Very high0 Ų038.2 Ų38.20%021%0.211CC..Hα-helixtrans-66.5-49.2177.4171.80000111.3I33 Y108 F114 Y135 I137 V141 Y142 K143 S147 S148 I149I33-V145 HydrophobicContact CD1-CG1 3.48Å; I33-V145 VanDerWaalsContact CD1-CG1 3.48Å; I33-V145 HydrophobicContact CG2-CG1 4.36Å; Y108-V145 HydrophobicContact CD1-CG2 4.45Å; Y108-V145 HydrophobicContact CG-CG2 4.2Å; F114-V145 HydrophobicContact CE1-CG1 4.14Å; F114-V145 HydrophobicContact CZ-CB 4.26Å; F114-V145 HydrophobicContact CZ-CG1 4.04Å; F114-V145 HydrophobicContact CZ-CG2 4.05Å; Y135-V145 HydrophobicContact CE1-CG1 3.93Å; Y135-V145 HydrophobicContact CE2-CG1 4.15Å; I137-V145 HydrophobicContact CD1-CB 4.27Å; I137-V145 HydrophobicContact CD1-CG1 4.19Å; I137-V145 HydrophobicContact CD1-CG2 3.86Å; V141-V145 HydrophobicContact CB-CG2 4.33Å; V141-V145 VanDerWaalsContact O-CB 3.28Å; V141-V145 WeakPolarHBondContact O-CB 3.36Å; V141-V145 WeakPolarHBondContact O-CG2 3.4Å; V141-V145 PolarHBondContact O-N 3.45Å; V141-V145 VanDerWaalsContact O-N 3.16Å; Y142-V145 PolarHBondContact O-N 3.33Å; K143-V145 VanDerWaalsContact C-N 3.31Å; K143-V145 PolarHBondContact O-N 3.18Å; V145-S147 VanDerWaalsContact C-N 3.33Å; V145-S147 PolarHBondContact O-N 2.8Å; V145-S148 PolarHBondContact O-N 2.89Å; V145-I149 HydrophobicContact CG1-CD1 3.62Å; V145-I149 HydrophobicContact CG1-CG1 4.46Å; V145-I149 VanDerWaalsContact O-CG1 3.3Å; V145-I149 WeakPolarHBondContact O-CG1 3.38Å; V145-I149 PolarHBondContact O-N 3.12Å
146S96.7Very high93.1Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-61.8-40.8178.2-64.40000112.1Y135 Y142 K143 I149 K150 L184 F188Y135-S146 WeakPolarHBondContact CE2-OG 3.48Å; Y135-S146 VanDerWaalsContact OH-CA 3.31Å; Y135-S146 WeakPolarHBondContact OH-CA 3.43Å; Y135-S146 PolarHBondContact OH-OG 3.22Å; Y142-S146 VanDerWaalsContact O-CB 3.26Å; Y142-S146 WeakPolarHBondContact O-CB 3.41Å; Y142-S146 PolarHBondContact O-N 3.45Å; Y142-S146 PolarHBondContact O-OG 2.86Å; K143-S146 PolarHBondContact O-N 3.43Å; S146-I149 PolarHBondContact O-N 3.05Å; S146-K150 WeakPolarHBondContact O-CB 3.46Å; S146-K150 PolarHBondContact O-N 2.77Å; S146-L184 VanDerWaalsContact OG-CD2 3.23Å; S146-L184 WeakPolarHBondContact OG-CD2 3.42Å; S146-F188 WeakPolarHBondContact O-CE2 3.24Å
147S96.3Very high92.5Very high44 Ų4449.5 Ų49.531%0.30826%0.259SS..Hα-helixtrans-61.9-47.5177-55.60000110.8K143 V145 I149 K150 E151K143-S147 WeakPolarHBondContact O-CB 3.45Å; K143-S147 PolarHBondContact O-N 2.8Å; K143-S147 PolarHBondContact O-OG 3.1Å; V145-S147 VanDerWaalsContact C-N 3.33Å; V145-S147 PolarHBondContact O-N 2.8Å; S147-I149 PolarHBondContact O-N 2.77Å; S147-K150 PolarHBondContact O-N 2.92Å; S147-E151 PolarHBondContact O-N 3.28Å; S147-E151 VanDerWaalsContact O-N 3.07Å
148S96.9Very high91.9Very high8 Ų854.6 Ų54.66%0.05629%0.293CS..Hα-helixtrans-66.7-38.9179.9-52.80000112.2P144 V145 K150 E151 Y152P144-S148 WeakPolarHBondContact O-CB 3.36Å; P144-S148 PolarHBondContact O-N 2.76Å; P144-S148 PolarHBondContact O-OG 3.44Å; V145-S148 PolarHBondContact O-N 2.89Å; S148-K150 VanDerWaalsContact C-N 3.34Å; S148-K150 PolarHBondContact O-N 2.85Å; S148-E151 PolarHBondContact O-N 2.85Å; S148-Y152 VanDerWaalsContact O-CD2 3.3Å; S148-Y152 WeakPolarHBondContact O-CD2 3.43Å; S148-Y152 PolarHBondContact O-N 2.9Å
149I96.9Very high91.6Very high0 Ų056.8 Ų56.80%030%0.301CS..Iπ-helixtrans-64-41.7174.4-70.9162.8000111I33 F114 F133 Y135 V145 S146 S147 E151 C153 T154 L164 F188I33-I149 HydrophobicContact CD1-CD1 3.65Å; F114-I149 HydrophobicContact CD1-CG1 3.91Å; F114-I149 HydrophobicContact CE1-CD1 4.31Å; F114-I149 HydrophobicContact CE1-CG1 3.8Å; F133-I149 HydrophobicContact CB-CD1 4.07Å; F133-I149 HydrophobicContact CD1-CD1 3.77Å; F133-I149 HydrophobicContact CD1-CG1 4.1Å; F133-I149 HydrophobicContact CD2-CD1 4.45Å; F133-I149 HydrophobicContact CD2-CG2 3.82Å; F133-I149 HydrophobicContact CE1-CD1 4.35Å; F133-I149 HydrophobicContact CE1-CG1 4.19Å; F133-I149 HydrophobicContact CE1-CG2 4.43Å; F133-I149 HydrophobicContact CE2-CG2 3.7Å; F133-I149 HydrophobicContact CG-CD1 3.84Å; F133-I149 HydrophobicContact CG-CG1 4.42Å; F133-I149 HydrophobicContact CG-CG2 4.26Å; F133-I149 HydrophobicContact CZ-CG2 4.05Å; Y135-I149 HydrophobicContact CE1-CD1 3.72Å; Y135-I149 WeakPolarHBondContact OH-CD1 3.35Å; V145-I149 HydrophobicContact CG1-CD1 3.62Å; V145-I149 HydrophobicContact CG1-CG1 4.46Å; V145-I149 VanDerWaalsContact O-CG1 3.3Å; V145-I149 WeakPolarHBondContact O-CG1 3.38Å; V145-I149 PolarHBondContact O-N 3.12Å; S146-I149 PolarHBondContact O-N 3.05Å; S147-I149 PolarHBondContact O-N 2.77Å; I149-E151 VanDerWaalsContact C-N 3.3Å; I149-E151 PolarHBondContact O-N 3.22Å; I149-C153 HydrophobicContact CB-CB 4.47Å; I149-C153 HydrophobicContact CG2-CB 4.21Å; I149-C153 CarbonylContact O-C 3.55Å; I149-C153 WeakPolarHBondContact O-CA 3.46Å; I149-C153 PolarHBondContact O-N 3.42Å; I149-T154 PolarHBondContact O-N 2.93Å; I149-T154 PolarHBondContact O-OG1 2.69Å; I149-L164 HydrophobicContact CG2-CD2 4.36Å; I149-F188 HydrophobicContact CB-CZ 4.31Å; I149-F188 HydrophobicContact CG2-CE1 4.31Å; I149-F188 HydrophobicContact CG2-CZ 3.88Å
150K96.4Very high91.8Very high84 Ų8455.5 Ų55.537%0.36529%0.292SS..Iπ-helixtrans-61-42.8179.2-177.156.6174.9-160.90111.5S146 S147 S148 T154 L187 F188S146-K150 WeakPolarHBondContact O-CB 3.46Å; S146-K150 PolarHBondContact O-N 2.77Å; S147-K150 PolarHBondContact O-N 2.92Å; S148-K150 VanDerWaalsContact C-N 3.34Å; S148-K150 PolarHBondContact O-N 2.85Å; K150-T154 WeakPolarHBondContact CA-OG1 3.34Å; K150-T154 PolarHBondContact O-OG1 3.06Å; K150-L187 HydrophobicContact CB-CB 4.2Å; K150-L187 HydrophobicContact CB-CD2 4.05Å; K150-L187 WeakPolarHBondContact CD-O 3.48Å; K150-L187 WeakPolarHBondContact CE-O 3.28Å; K150-L187 HydrophobicContact CG-CB 4.17Å; K150-L187 HydrophobicContact CG-CD2 3.95Å; K150-L187 PolarHBondContact NZ-O 3.01Å; K150-F188 HydrophobicContact CB-CE2 4.16Å; K150-F188 HydrophobicContact CB-CZ 3.85Å; K150-F188 HydrophobicContact CD-CE1 4.29Å; K150-F188 HydrophobicContact CD-CZ 4.35Å
151E95.7Very high91.9Very high132 Ų13253 Ų5362%0.61727%0.268SS*.Iπ-helixtrans-76.2-45.6-176.3-169.8174.2161.600113.1S147 S148 I149S147-E151 PolarHBondContact O-N 3.28Å; S147-E151 VanDerWaalsContact O-N 3.07Å; S148-E151 PolarHBondContact O-N 2.85Å; I149-E151 VanDerWaalsContact C-N 3.3Å; I149-E151 PolarHBondContact O-N 3.22Å
152Y95.6Very high92Very high64 Ų6452.2 Ų52.225%0.25126%0.263SS..Iπ-helixtrans-108.3-29.2-169.1-58.6-75.8000114.5P111 F114 E115 N118 S148P111-Y152 HydrophobicContact CB-CE2 3.72Å; F114-Y152 HydrophobicContact CB-CD2 4.23Å; E115-Y152 HydrophobicContact CB-CD1 3.91Å; E115-Y152 HydrophobicContact CB-CE1 4.39Å; E115-Y152 HydrophobicContact CB-CG 4.31Å; E115-Y152 HydrophobicContact CG-CD1 4.12Å; N118-Y152 VanDerWaalsContact CB-O 3.23Å; N118-Y152 WeakPolarHBondContact CB-O 3.21Å; N118-Y152 PolarHBondContact OD1-O 3.42Å; S148-Y152 VanDerWaalsContact O-CD2 3.3Å; S148-Y152 WeakPolarHBondContact O-CD2 3.43Å; S148-Y152 PolarHBondContact O-N 2.9Å
153C95.4Very high92.2Very high0 Ų053.9 Ų53.90%027%0.269CS..Iπ-helixtrans-115.20.5-167.1-56.10000114.6F114 R131 F133 I149F114-C153 PolarHBondContact O-SG 3.16Å; R131-C153 WeakPolarHBondContact CD-O 3.29Å; R131-C153 VanDerWaalsContact NH1-C 3.35Å; R131-C153 PolarHBondContact NH1-O 2.92Å; F133-C153 HydrophobicContact CE1-CB 4.17Å; F133-C153 HydrophobicContact CE2-CB 4.43Å; F133-C153 HydrophobicContact CZ-CB 3.62Å; I149-C153 HydrophobicContact CB-CB 4.47Å; I149-C153 HydrophobicContact CG2-CB 4.21Å; I149-C153 CarbonylContact O-C 3.55Å; I149-C153 WeakPolarHBondContact O-CA 3.46Å; I149-C153 PolarHBondContact O-N 3.42Å
154T90.9Very high92.4Very high31 Ų3148.8 Ų48.819%0.1925%0.247CC..SBendtrans-78.8134.3175.9-57.40000109.4I149 K150I149-T154 PolarHBondContact O-N 2.93Å; I149-T154 PolarHBondContact O-OG1 2.69Å; K150-T154 WeakPolarHBondContact CA-OG1 3.34Å; K150-T154 PolarHBondContact O-OG1 3.06Å
155N81Confident92.5Very high26 Ų2647 Ų4714%0.13924%0.236CC..  trans-67138.5-179.8-150.9-36.2000111.1Q127 V129 N157 T160 T162Q127-N155 PolarHBondContact O-ND2 2.72Å; Q127-N155 PolarHBondContact O-OD1 2.88Å; Q127-N155 VanDerWaalsContact O-OD1 3.09Å; V129-N155 PolarHBondContact N-ND2 2.82Å; V129-N155 PolarHBondContact O-ND2 2.82Å; N155-N157 WeakPolarHBondContact OD1-CB 3.32Å; N155-N157 PolarHBondContact OD1-N 2.82Å; N155-T160 VanDerWaalsContact CB-OG1 3.28Å; N155-T160 WeakPolarHBondContact CB-OG1 3.48Å; N155-T160 PolarHBondContact ND2-OG1 2.99Å; N155-T160 PolarHBondContact OD1-OG1 3.28Å; N155-T162 PolarHBondContact N-OG1 2.91Å
156K80.2Confident92.5Very high204 Ų20447.1 Ų47.189%0.88724%0.236SC*.  trans-89.3-14.4173.6-64.1-178.2-177.3174.30112.1
157N83.4Confident92.4Very high49 Ų4947.8 Ų47.826%0.26224%0.239SC..  trans-78.4120.9178.6-174.5-16000110.4N155 D159 T160N155-N157 WeakPolarHBondContact OD1-CB 3.32Å; N155-N157 PolarHBondContact OD1-N 2.82Å; N157-D159 PolarHBondContact O-N 3.31Å; N157-D159 WeakPolarHBondContact OD1-CB 3.26Å; N157-D159 PolarHBondContact OD1-N 2.81Å; N157-T160 HydrophobicContact CB-CG2 4.4Å; N157-T160 PolarHBondContact O-N 2.8Å; N157-T160 PolarHBondContact O-OG1 3.44Å
158P83.1Confident92.1Very high121 Ų12148.5 Ų48.579%0.78624%0.237SC*.THydrogen-bonded Turntrans-63.9-20.7178.727.8-36.6000114.2T160P158-T160 PolarHBondContact O-N 2.97Å
159D84.4Confident91.8Very high118 Ų11849.2 Ų49.263%0.63124%0.241SC*.THydrogen-bonded Turntrans-79.5-0.7179.1-58.8-33.5000112.8N157N157-D159 PolarHBondContact O-N 3.31Å; N157-D159 WeakPolarHBondContact OD1-CB 3.26Å; N157-D159 PolarHBondContact OD1-N 2.81Å
160T91.2Very high91.6Very high16 Ų1649.5 Ų49.510%0.09824%0.242CC..SBendtrans-127.2150.1-177.361.20000111.2A128 N130 N155 N157 P158A128-T160 HydrophobicContact CB-CG2 4.37Å; N130-T160 VanDerWaalsContact OD1-CA 3.29Å; N130-T160 WeakPolarHBondContact OD1-CA 3.26Å; N155-T160 VanDerWaalsContact CB-OG1 3.28Å; N155-T160 WeakPolarHBondContact CB-OG1 3.48Å; N155-T160 PolarHBondContact ND2-OG1 2.99Å; N155-T160 PolarHBondContact OD1-OG1 3.28Å; N157-T160 HydrophobicContact CB-CG2 4.4Å; N157-T160 PolarHBondContact O-N 2.8Å; N157-T160 PolarHBondContact O-OG1 3.44Å; P158-T160 PolarHBondContact O-N 2.97Å
161W93.2Very high91.4Very high50 Ų5046.1 Ų46.119%0.18923%0.231CC..  trans-112.6157.1-178.651.5-101.6000112.3H28 N130 R131 I132 R163H28-W161 AromaticContact CD2-CZ2 3.69Å; N130-W161 HydrophobicContact CB-CD2 3.94Å; N130-W161 HydrophobicContact CB-CE3 4.23Å; N130-W161 HydrophobicContact CB-CH2 3.99Å; N130-W161 HydrophobicContact CB-CZ2 3.67Å; N130-W161 HydrophobicContact CB-CZ3 4.24Å; N130-W161 VanDerWaalsContact CG-CE2 3.46Å; N130-W161 VanDerWaalsContact CG-NE1 3.3Å; N130-W161 PolarHBondContact ND2-NE1 3.42Å; N130-W161 VanDerWaalsContact OD1-CD1 3.3Å; N130-W161 PolarHBondContact OD1-N 2.91Å; N130-W161 PolarHBondContact OD1-NE1 2.96Å; R131-W161 PolarHBondContact N-O 3.5Å; I132-W161 HydrophobicContact CD1-CH2 3.88Å; I132-W161 HydrophobicContact CD1-CZ3 4.23Å; I132-W161 HydrophobicContact CG1-CH2 3.59Å; I132-W161 HydrophobicContact CG1-CZ3 3.43Å; I132-W161 VanDerWaalsContact CG1-CZ3 3.43Å; W161-R163 HydrophobicContact CD2-CG 4.28Å; W161-R163 HydrophobicContact CE3-CB 4.05Å; W161-R163 HydrophobicContact CE3-CG 3.48Å; W161-R163 VanDerWaalsContact CE3-CG 3.48Å; W161-R163 HydrophobicContact CZ3-CB 3.95Å; W161-R163 HydrophobicContact CZ3-CG 3.77Å
162T95.8Very high91.3Very high5 Ų545 Ų453%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-123.7123169.7-62.30000108.7R131 F133 N155 Q192R131-T162 CarbonylContact O-C 3.58Å; R131-T162 VanDerWaalsContact O-CA 3.3Å; R131-T162 WeakPolarHBondContact O-CA 3.36Å; F133-T162 HydrophobicContact CD2-CG2 3.97Å; F133-T162 HydrophobicContact CE2-CG2 3.78Å; N155-T162 PolarHBondContact N-OG1 2.91Å; T162-Q192 WeakPolarHBondContact O-CB 3.42Å; T162-Q192 VanDerWaalsContact O-CG 3.29Å; T162-Q192 WeakPolarHBondContact O-CG 3.4Å; T162-Q192 PolarHBondContact O-NE2 3.07Å
163R97.4Very high91.4Very high36 Ų3643.4 Ų43.414%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-122.7144.5-179.4-67.4173.2-175.8153.32.7110.5R131 I132 F133 W161 Q192 Y194 V444 F445 G447R131-R163 PolarHBondContact O-N 3.42Å; I132-R163 CarbonylContact C-O 3.57Å; I132-R163 WeakPolarHBondContact CA-O 3.31Å; F133-R163 PolarHBondContact N-O 3.28Å; W161-R163 HydrophobicContact CD2-CG 4.28Å; W161-R163 HydrophobicContact CE3-CB 4.05Å; W161-R163 HydrophobicContact CE3-CG 3.48Å; W161-R163 VanDerWaalsContact CE3-CG 3.48Å; W161-R163 HydrophobicContact CZ3-CB 3.95Å; W161-R163 HydrophobicContact CZ3-CG 3.77Å; R163-Q192 CarbonylContact C-O 3.56Å; R163-Q192 WeakPolarHBondContact CA-O 3.48Å; R163-Y194 HydrophobicContact CB-CD2 4.14Å; R163-Y194 HydrophobicContact CB-CE2 3.97Å; R163-Y194 HydrophobicContact CG-CD2 4.36Å; R163-Y194 HydrophobicContact CG-CE2 3.68Å; R163-V444 HydrophobicContact CB-CG1 4.13Å; R163-V444 WeakPolarHBondContact CD-O 3.37Å; R163-V444 PolarHBondContact NH1-O 3.21Å; R163-F445 PolarHBondContact NH1-O 3.41Å; R163-G447 VanDerWaalsContact NH2-CA 3.33Å
164L97.9Very high91.5Very high0 Ų045.3 Ų45.30%023%0.227CC..EExtended strand (participates in β ladder)trans-115.4125.4178.4-55-175.1000109.5F133 Y135 I149 I166 F188 Q192 Y194F133-L164 HydrophobicContact CB-CD2 3.75Å; F133-L164 HydrophobicContact CD2-CD2 3.93Å; F133-L164 HydrophobicContact CG-CD2 4.2Å; F133-L164 WeakPolarHBondContact O-CA 3.46Å; Y135-L164 HydrophobicContact CE1-CD2 4.23Å; I149-L164 HydrophobicContact CG2-CD2 4.36Å; L164-I166 HydrophobicContact CB-CG2 4.48Å; L164-F188 HydrophobicContact CD1-CB 4.45Å; L164-F188 HydrophobicContact CD1-CD1 3.99Å; L164-F188 HydrophobicContact CD1-CD2 3.46Å; L164-F188 VanDerWaalsContact CD1-CD2 3.46Å; L164-F188 HydrophobicContact CD1-CE1 4.08Å; L164-F188 HydrophobicContact CD1-CE2 3.59Å; L164-F188 HydrophobicContact CD1-CG 3.68Å; L164-F188 HydrophobicContact CD1-CZ 3.9Å; L164-F188 HydrophobicContact CD2-CE1 4.36Å; L164-F188 HydrophobicContact CD2-CZ 4.4Å; L164-F188 HydrophobicContact CG-CD1 4.32Å; L164-F188 HydrophobicContact CG-CE1 4.37Å; L164-F188 HydrophobicContact CG-CG 4.43Å; L164-Q192 PolarHBondContact N-O 3.45Å; L164-Y194 WeakPolarHBondContact O-CA 3.28Å; L164-Y194 WeakPolarHBondContact O-CB 3.33Å; L164-Y194 PolarHBondContact O-N 2.8Å
165I98.1Very high91.8Very high0 Ų050.3 Ų50.30%025%0.249CC..EExtended strand (participates in β ladder)trans-99.2118.3169-57.4173.1000107.4I132 F133 Y134 Y135 Y194 I196 V444I132-I165 HydrophobicContact CG2-CD1 3.64Å; I132-I165 HydrophobicContact CG2-CG1 3.94Å; F133-I165 PolarHBondContact O-N 3.49Å; Y134-I165 HydrophobicContact CD2-CB 4.03Å; Y134-I165 HydrophobicContact CD2-CD1 3.69Å; Y134-I165 HydrophobicContact CD2-CG1 4.46Å; Y134-I165 HydrophobicContact CD2-CG2 3.91Å; Y134-I165 HydrophobicContact CE1-CG2 4.47Å; Y134-I165 HydrophobicContact CE2-CB 4.44Å; Y134-I165 HydrophobicContact CE2-CD1 4.2Å; Y134-I165 HydrophobicContact CE2-CG2 3.8Å; Y134-I165 HydrophobicContact CG-CB 4.2Å; Y134-I165 HydrophobicContact CG-CD1 4.49Å; Y134-I165 HydrophobicContact CG-CG2 4.3Å; Y135-I165 WeakPolarHBondContact CB-O 3.47Å; Y135-I165 PolarHBondContact N-O 2.93Å; I165-Y194 WeakPolarHBondContact CA-O 3.36Å; I165-I196 HydrophobicContact CG2-CD1 3.68Å; I165-I196 HydrophobicContact CG2-CG1 3.48Å; I165-I196 VanDerWaalsContact CG2-CG1 3.48Å; I165-V444 HydrophobicContact CD1-CB 4.01Å; I165-V444 HydrophobicContact CD1-CG1 3.9Å; I165-V444 HydrophobicContact CD1-CG2 3.68Å; I165-V444 HydrophobicContact CG1-CB 4.3Å; I165-V444 HydrophobicContact CG1-CG1 3.86Å; I165-V444 HydrophobicContact CG1-CG2 3.75Å
166I96.5Very high92.5Very high1 Ų150.8 Ų50.81%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-120.2143.1-179.763.5167000111.9Y135 Y142 L164 F170 L184 I193 Y194 R195 I196Y135-I166 HydrophobicContact CD2-CG2 3.63Å; Y135-I166 HydrophobicContact CE2-CG2 4.06Å; Y135-I166 HydrophobicContact CG-CG2 3.95Å; Y142-I166 HydrophobicContact CE2-CB 4.05Å; Y142-I166 HydrophobicContact CE2-CG2 4.43Å; L164-I166 HydrophobicContact CB-CG2 4.48Å; I166-F170 HydrophobicContact CB-CE1 4.38Å; I166-F170 HydrophobicContact CD1-CD1 4.19Å; I166-F170 HydrophobicContact CD1-CE1 3.85Å; I166-F170 HydrophobicContact CG1-CE1 3.78Å; I166-L184 HydrophobicContact CD1-CD1 3.77Å; I166-I193 HydrophobicContact CD1-CG2 3.89Å; I166-I193 HydrophobicContact CG1-CG2 4.14Å; I166-Y194 PolarHBondContact N-O 2.98Å; I166-R195 HydrophobicContact CD1-CG 3.84Å; I166-R195 HydrophobicContact CG1-CB 4.24Å; I166-R195 HydrophobicContact CG1-CG 3.84Å; I166-I196 PolarHBondContact O-N 3.17Å
167E93.9Very high93.2Very high15 Ų1541.2 Ų41.27%0.0721%0.212CC..PPolyproline II helixtrans-103.4158.9-174.4-71.4-76.8-171.300111.5L39 Y134 Y142 F170 I196 Y437L39-E167 HydrophobicContact CD2-CG 3.98Å; Y134-E167 HydrophobicContact CE1-CG 4.09Å; Y134-E167 PolarHBondContact OH-OE1 2.82Å; Y142-E167 PolarHBondContact OH-N 2.9Å; Y142-E167 VanDerWaalsContact OH-N 3.11Å; Y142-E167 PolarHBondContact OH-O 2.93Å; E167-F170 VanDerWaalsContact C-CE1 3.45Å; E167-F170 VanDerWaalsContact C-CZ 3.49Å; E167-F170 WeakPolarHBondContact O-CE1 3.28Å; E167-I196 WeakPolarHBondContact OE2-CG2 3.36Å; E167-Y437 VanDerWaalsContact OE1-CE1 3.29Å; E167-Y437 WeakPolarHBondContact OE1-CE1 3.48Å; E167-Y437 PolarHBondContact OE1-OH 2.99Å
168K90.6Very high93.8Very high59 Ų5941.7 Ų41.726%0.25722%0.215SC..SBendtrans-66.6151.9169.471.4173.2-172.8170.30110.5F170 D255 N259 H260K168-F170 HydrophobicContact CB-CD2 4.3Å; K168-F170 HydrophobicContact CB-CE2 4.01Å; K168-F170 HydrophobicContact CB-CZ 4.4Å; K168-D255 PolarHBondContact NZ-O 3.2Å; K168-D255 IonicContact NZ-OD1 2.74Å; K168-D255 PolarHBondContact NZ-OD1 3.35Å; K168-N259 WeakPolarHBondContact CD-ND2 3.4Å; K168-H260 PolarHBondContact NZ-NE2 3.28Å
169P90.8Very high94.4Very high23 Ų2342.3 Ų42.315%0.14921%0.207CC..PPolyproline II helixcis-87.8137.88.832.3-33.2000114.5P139 G171 F250P139-P169 HydrophobicContact CG-CG 3.7Å; P169-G171 PolarHBondContact O-N 3.27Å; P169-F250 HydrophobicContact CB-CD1 4.46Å; P169-F250 HydrophobicContact CB-CE1 3.93Å; P169-F250 HydrophobicContact CG-CE1 3.71Å; P169-F250 HydrophobicContact CG-CZ 3.88Å
170F92.2Very high94.9Very high6 Ų638 Ų383%0.02618%0.184CC..  trans-92.968.8175.6-52.1-62.4000110.5I166 E167 K168 F177 R195 L458 W462I166-F170 HydrophobicContact CB-CE1 4.38Å; I166-F170 HydrophobicContact CD1-CD1 4.19Å; I166-F170 HydrophobicContact CD1-CE1 3.85Å; I166-F170 HydrophobicContact CG1-CE1 3.78Å; E167-F170 VanDerWaalsContact C-CE1 3.45Å; E167-F170 VanDerWaalsContact C-CZ 3.49Å; E167-F170 WeakPolarHBondContact O-CE1 3.28Å; K168-F170 HydrophobicContact CB-CD2 4.3Å; K168-F170 HydrophobicContact CB-CE2 4.01Å; K168-F170 HydrophobicContact CB-CZ 4.4Å; F170-F177 HydrophobicContact CB-CD2 4.12Å; F170-F177 HydrophobicContact CB-CE2 4.45Å; F170-F177 WeakPolarHBondContact O-CD2 3.33Å; F170-R195 HydrophobicContact CE1-CB 4.06Å; F170-R195 HydrophobicContact CE1-CG 4.45Å; F170-R195 HydrophobicContact CE2-CB 4.21Å; F170-R195 HydrophobicContact CZ-CB 3.73Å; F170-L458 HydrophobicContact CB-CD1 3.9Å; F170-L458 HydrophobicContact CB-CD2 4.41Å; F170-L458 HydrophobicContact CD1-CD1 4.48Å; F170-L458 HydrophobicContact CD2-CD1 3.77Å; F170-L458 HydrophobicContact CD2-CD2 3.85Å; F170-L458 HydrophobicContact CD2-CG 4.5Å; F170-L458 HydrophobicContact CE2-CD1 4.45Å; F170-L458 HydrophobicContact CG-CD1 3.79Å; F170-L458 HydrophobicContact CG-CD2 4.46Å; F170-W462 PolarHBondContact O-NE1 3.37Å
171G92.3Very high95.1Very high13 Ų1338.4 Ų38.413%0.13419%0.186CC..  trans81.4179.1-169.500000113.1P169 W462P169-G171 PolarHBondContact O-N 3.27Å; G171-W462 WeakPolarHBondContact O-CZ2 2.92Å
172R93.9Very high95.2Very high107 Ų10738.8 Ų38.840%0.40420%0.195SC..SBendtrans-117.1-10.3176.2-66.2175.876.4-159.8-2.4112.2S176 Q249 F250 R254 W462R172-S176 PolarHBondContact N-OG 2.93Å; R172-Q249 VanDerWaalsContact CZ-O 3.3Å; R172-Q249 PolarHBondContact NE-O 2.91Å; R172-Q249 PolarHBondContact NH2-O 3.49Å; R172-F250 HydrophobicContact CG-CD1 4.09Å; R172-F250 HydrophobicContact CG-CE1 3.69Å; R172-R254 PolarHBondContact O-NE 3.15Å; R172-R254 PolarHBondContact O-NH2 3.37Å; R172-W462 VanDerWaalsContact C-CZ3 3.49Å; R172-W462 WeakPolarHBondContact O-CH2 3.21Å; R172-W462 VanDerWaalsContact O-CZ3 3.23Å; R172-W462 WeakPolarHBondContact O-CZ3 2.87Å
173D96.3Very high95.1Very high32 Ų3240.5 Ų40.517%0.17120%0.203CC..SBendtrans-161.7179.1178.253.628.2000108.8E175 S176 F177 T466D173-E175 VanDerWaalsContact C-N 3.26Å; D173-E175 PolarHBondContact O-N 3Å; D173-E175 PolarHBondContact OD1-N 3.38Å; D173-S176 PolarHBondContact N-OG 2.74Å; D173-S176 VanDerWaalsContact N-OG 3.09Å; D173-S176 PolarHBondContact O-OG 2.99Å; D173-S176 VanDerWaalsContact OD1-CB 3.31Å; D173-S176 WeakPolarHBondContact OD1-CB 3.33Å; D173-S176 PolarHBondContact OD1-N 3.36Å; D173-S176 PolarHBondContact OD1-OG 3.26Å; D173-F177 VanDerWaalsContact O-CB 3.23Å; D173-F177 WeakPolarHBondContact O-CB 3.3Å; D173-F177 PolarHBondContact O-N 3.48Å; D173-T466 HydrophobicContact CB-CG2 3.9Å
174L97.5Very high94.9Very high40 Ų4038.9 Ų38.921%0.20920%0.197CC..Hα-helixtrans-57.7-37.1179-176.360.3000113.2N178 W462 R463 T466L174-N178 WeakPolarHBondContact O-CB 3.3Å; L174-N178 PolarHBondContact O-N 2.81Å; L174-N178 PolarHBondContact O-ND2 3.3Å; L174-N178 VanDerWaalsContact O-ND2 3.08Å; L174-W462 HydrophobicContact CB-CB 4.01Å; L174-W462 HydrophobicContact CD1-CB 3.86Å; L174-R463 HydrophobicContact CD2-CB 4.42Å; L174-T466 HydrophobicContact CB-CG2 4.22Å; L174-T466 WeakPolarHBondContact CB-OG1 3.47Å; L174-T466 PolarHBondContact N-OG1 3.15Å
175E97.3Very high94.8Very high136 Ų13641.9 Ų41.964%0.63622%0.215SC*.Hα-helixtrans-71.5-54.4-175.8-176.4172.7-177.900111.2D173 F177 N178 E179D173-E175 VanDerWaalsContact C-N 3.26Å; D173-E175 PolarHBondContact O-N 3Å; D173-E175 PolarHBondContact OD1-N 3.38Å; E175-F177 VanDerWaalsContact C-N 3.27Å; E175-F177 PolarHBondContact O-N 3.22Å; E175-N178 PolarHBondContact O-N 3.4Å; E175-N178 VanDerWaalsContact O-N 3.12Å; E175-E179 PolarHBondContact O-N 3.26Å
176S95.6Very high94.7Very high35 Ų3548.3 Ų48.325%0.24524%0.243CC..Hα-helixtrans-63.7-31.6176.857.30000112.7R172 D173 L180R172-S176 PolarHBondContact N-OG 2.93Å; D173-S176 PolarHBondContact N-OG 2.74Å; D173-S176 VanDerWaalsContact N-OG 3.09Å; D173-S176 PolarHBondContact O-OG 2.99Å; D173-S176 VanDerWaalsContact OD1-CB 3.31Å; D173-S176 WeakPolarHBondContact OD1-CB 3.33Å; D173-S176 PolarHBondContact OD1-N 3.36Å; D173-S176 PolarHBondContact OD1-OG 3.26Å; S176-L180 WeakPolarHBondContact O-CB 3.22Å; S176-L180 PolarHBondContact O-N 3.4Å; S176-L180 VanDerWaalsContact O-N 3.12Å
177F96.2Very high94.7Very high3 Ų350.1 Ų50.11%0.01325%0.253CS..Hα-helixtrans-65.4-48.3170.2168.7-105.6000111.9F170 D173 E175 E179 L180 N181 S455 L458 H459 W462F170-F177 HydrophobicContact CB-CD2 4.12Å; F170-F177 HydrophobicContact CB-CE2 4.45Å; F170-F177 WeakPolarHBondContact O-CD2 3.33Å; D173-F177 VanDerWaalsContact O-CB 3.23Å; D173-F177 WeakPolarHBondContact O-CB 3.3Å; D173-F177 PolarHBondContact O-N 3.48Å; E175-F177 VanDerWaalsContact C-N 3.27Å; E175-F177 PolarHBondContact O-N 3.22Å; F177-E179 VanDerWaalsContact C-N 3.29Å; F177-E179 PolarHBondContact O-N 3.49Å; F177-L180 PolarHBondContact O-N 3.38Å; F177-N181 HydrophobicContact CE1-CB 4.31Å; F177-N181 HydrophobicContact CE2-CB 4.06Å; F177-N181 HydrophobicContact CZ-CB 3.9Å; F177-N181 VanDerWaalsContact O-CB 3.28Å; F177-N181 WeakPolarHBondContact O-CB 3.49Å; F177-N181 PolarHBondContact O-N 3.38Å; F177-S455 WeakPolarHBondContact CZ-O 3.46Å; F177-L458 HydrophobicContact CD2-CB 4.18Å; F177-L458 HydrophobicContact CD2-CD1 4.37Å; F177-L458 HydrophobicContact CE1-CB 3.96Å; F177-L458 HydrophobicContact CE2-CB 3.43Å; F177-L458 VanDerWaalsContact CE2-CB 3.43Å; F177-L458 HydrophobicContact CE2-CD1 3.54Å; F177-L458 HydrophobicContact CE2-CG 4.1Å; F177-L458 HydrophobicContact CZ-CB 3.3Å; F177-L458 HydrophobicContact CZ-CD1 4.13Å; F177-L458 HydrophobicContact CZ-CG 4.36Å; F177-H459 HydrophobicContact CE1-CB 3.88Å; F177-W462 HydrophobicContact CB-CG 4.17Å; F177-W462 AromaticContact CD1-CD1 3.8Å; F177-W462 AromaticContact CD2-CD1 3.95Å; F177-W462 AromaticContact CD2-NE1 3.96Å; F177-W462 AromaticContact CG-CD1 3.39Å; F177-W462 HydrophobicContact CG-CG 4.45Å; F177-W462 AromaticContact CG-NE1 3.73Å
178N96.5Very high94.8Very high59 Ų5949.6 Ų49.632%0.31625%0.25SS..Hα-helixtrans-62.6-37.6-179.8-74.1-26000111.4L174 E175 C182 H459L174-N178 WeakPolarHBondContact O-CB 3.3Å; L174-N178 PolarHBondContact O-N 2.81Å; L174-N178 PolarHBondContact O-ND2 3.3Å; L174-N178 VanDerWaalsContact O-ND2 3.08Å; E175-N178 PolarHBondContact O-N 3.4Å; E175-N178 VanDerWaalsContact O-N 3.12Å; N178-C182 WeakPolarHBondContact O-CB 3.29Å; N178-C182 PolarHBondContact O-N 3.06Å; N178-H459 PolarHBondContact OD1-ND1 2.87Å
179E95.5Very high95.1Very high134 Ų13450.6 Ų50.663%0.62626%0.261SS*.Hα-helixtrans-60.4-54.1173.1-172.4-178-177.800111.1E175 F177 N181 C182 E183E175-E179 PolarHBondContact O-N 3.26Å; F177-E179 VanDerWaalsContact C-N 3.29Å; F177-E179 PolarHBondContact O-N 3.49Å; E179-N181 VanDerWaalsContact C-N 3.33Å; E179-N181 PolarHBondContact O-N 2.9Å; E179-C182 PolarHBondContact O-N 3.4Å; E179-E183 WeakPolarHBondContact O-CG 3.42Å; E179-E183 PolarHBondContact O-N 3.27Å; E179-E183 VanDerWaalsContact O-N 3.07Å
180L94.4Very high95.3Very high29 Ų2951.4 Ų51.415%0.15226%0.263CS..Hα-helixtrans-57.7-45.7178.1176.263.2000111.9Y142 S176 F177 E183 L184Y142-L180 HydrophobicContact CD2-CD1 4.2Å; S176-L180 WeakPolarHBondContact O-CB 3.22Å; S176-L180 PolarHBondContact O-N 3.4Å; S176-L180 VanDerWaalsContact O-N 3.12Å; F177-L180 PolarHBondContact O-N 3.38Å; L180-E183 PolarHBondContact O-N 3.14Å; L180-L184 HydrophobicContact CD1-CD1 4.19Å; L180-L184 HydrophobicContact CD1-CG 4.4Å; L180-L184 HydrophobicContact CG-CD1 4.18Å; L180-L184 WeakPolarHBondContact O-CG 3.4Å; L180-L184 PolarHBondContact O-N 3.46Å; L180-L184 VanDerWaalsContact O-N 3.09Å
181N94.9Very high95.5Very high24 Ų2457.9 Ų57.913%0.12829%0.293CS..Hα-helixtrans-66.7-39-178.6-17166.3000111.7F177 E179 E183 L184 T185 R195 S455F177-N181 HydrophobicContact CE1-CB 4.31Å; F177-N181 HydrophobicContact CE2-CB 4.06Å; F177-N181 HydrophobicContact CZ-CB 3.9Å; F177-N181 VanDerWaalsContact O-CB 3.28Å; F177-N181 WeakPolarHBondContact O-CB 3.49Å; F177-N181 PolarHBondContact O-N 3.38Å; E179-N181 VanDerWaalsContact C-N 3.33Å; E179-N181 PolarHBondContact O-N 2.9Å; N181-E183 VanDerWaalsContact C-N 3.35Å; N181-L184 PolarHBondContact O-N 2.89Å; N181-T185 WeakPolarHBondContact O-CB 3.5Å; N181-T185 VanDerWaalsContact O-CG2 3.31Å; N181-T185 WeakPolarHBondContact O-CG2 3.45Å; N181-T185 PolarHBondContact O-N 2.92Å; N181-T185 PolarHBondContact O-OG1 3.4Å; N181-R195 PolarHBondContact OD1-NH2 3.2Å; N181-S455 WeakPolarHBondContact OD1-CB 3.47Å
182C95.2Very high95.7Very high58 Ų5859 Ų5939%0.39230%0.295SS..Hα-helixtrans-61.4-43.7175.5-174.30000111.2N178 E179 L184 T185 K186N178-C182 WeakPolarHBondContact O-CB 3.29Å; N178-C182 PolarHBondContact O-N 3.06Å; E179-C182 PolarHBondContact O-N 3.4Å; C182-L184 PolarHBondContact O-N 3.1Å; C182-T185 PolarHBondContact O-OG1 2.96Å; C182-K186 VanDerWaalsContact O-CG 3.22Å; C182-K186 WeakPolarHBondContact O-CG 3.23Å; C182-K186 PolarHBondContact O-N 3.29Å; C182-K186 VanDerWaalsContact O-N 3.12Å; C182-K186 WeakPolarHBondContact SG-CE 3.44Å
183E93.4Very high95.8Very high40 Ų4054 Ų5419%0.18728%0.276CS..Hα-helixtrans-65.2-38.7177.9-65.3-64.1112.400112.5K143 E179 L180 N181 K186 L187K143-E183 HydrophobicContact CD-CG 4.19Å; K143-E183 WeakPolarHBondContact CD-OE2 3.49Å; K143-E183 WeakPolarHBondContact CE-OE2 3.49Å; K143-E183 IonicContact NZ-OE2 3.18Å; K143-E183 PolarHBondContact NZ-OE2 3.4Å; E179-E183 WeakPolarHBondContact O-CG 3.42Å; E179-E183 PolarHBondContact O-N 3.27Å; E179-E183 VanDerWaalsContact O-N 3.07Å; L180-E183 PolarHBondContact O-N 3.14Å; N181-E183 VanDerWaalsContact C-N 3.35Å; E183-K186 IonicContact OE1-NZ 2.65Å; E183-K186 PolarHBondContact OE1-NZ 3.47Å; E183-L187 WeakPolarHBondContact O-CG 3.47Å
184L94.9Very high95.9Very high3 Ų352.6 Ų52.62%0.01627%0.269CS..Hα-helixtrans-71.3-44.5177.3-69173.8000112.6S146 I166 L180 N181 C182 K186 L187 F188 I193S146-L184 VanDerWaalsContact OG-CD2 3.23Å; S146-L184 WeakPolarHBondContact OG-CD2 3.42Å; I166-L184 HydrophobicContact CD1-CD1 3.77Å; L180-L184 HydrophobicContact CD1-CD1 4.19Å; L180-L184 HydrophobicContact CD1-CG 4.4Å; L180-L184 HydrophobicContact CG-CD1 4.18Å; L180-L184 WeakPolarHBondContact O-CG 3.4Å; L180-L184 PolarHBondContact O-N 3.46Å; L180-L184 VanDerWaalsContact O-N 3.09Å; N181-L184 PolarHBondContact O-N 2.89Å; C182-L184 PolarHBondContact O-N 3.1Å; L184-K186 VanDerWaalsContact C-N 3.3Å; L184-K186 PolarHBondContact O-N 2.94Å; L184-L187 PolarHBondContact O-N 3.33Å; L184-F188 PolarHBondContact O-N 2.96Å; L184-I193 HydrophobicContact CB-CD1 4.12Å
185T95.1Very high95.9Very high62 Ų6250.9 Ų50.938%0.3826%0.259SS..Hα-helixtrans-73-19.8-176.552.20000113.6N181 C182 L187 F188N181-T185 WeakPolarHBondContact O-CB 3.5Å; N181-T185 VanDerWaalsContact O-CG2 3.31Å; N181-T185 WeakPolarHBondContact O-CG2 3.45Å; N181-T185 PolarHBondContact O-N 2.92Å; N181-T185 PolarHBondContact O-OG1 3.4Å; C182-T185 PolarHBondContact O-OG1 2.96Å; T185-L187 PolarHBondContact O-N 3.18Å; T185-F188 WeakPolarHBondContact CA-O 3.49Å
186K96Very high95.9Very high136 Ų13644.5 Ų44.559%0.59123%0.23SC*.THydrogen-bonded Turntrans-64.3-26.5165.7-76.6168.8-170.5168.50112.9C182 E183 L184C182-K186 VanDerWaalsContact O-CG 3.22Å; C182-K186 WeakPolarHBondContact O-CG 3.23Å; C182-K186 PolarHBondContact O-N 3.29Å; C182-K186 VanDerWaalsContact O-N 3.12Å; C182-K186 WeakPolarHBondContact SG-CE 3.44Å; E183-K186 IonicContact OE1-NZ 2.65Å; E183-K186 PolarHBondContact OE1-NZ 3.47Å; L184-K186 VanDerWaalsContact C-N 3.3Å; L184-K186 PolarHBondContact O-N 2.94Å
187L96.5Very high95.9Very high39 Ų3943 Ų4320%0.20422%0.219CC..THydrogen-bonded Turntrans-105.7-39.9-171.1-60.3173.3000112.1K150 E183 L184 T185K150-L187 HydrophobicContact CB-CB 4.2Å; K150-L187 HydrophobicContact CB-CD2 4.05Å; K150-L187 WeakPolarHBondContact CD-O 3.48Å; K150-L187 WeakPolarHBondContact CE-O 3.28Å; K150-L187 HydrophobicContact CG-CB 4.17Å; K150-L187 HydrophobicContact CG-CD2 3.95Å; K150-L187 PolarHBondContact NZ-O 3.01Å; E183-L187 WeakPolarHBondContact O-CG 3.47Å; L184-L187 PolarHBondContact O-N 3.33Å; T185-L187 PolarHBondContact O-N 3.18Å
188F96.4Very high95.7Very high4 Ų445 Ų452%0.01823%0.228CC..SBendtrans-129.7147.2-173.8-59.5-85.5000111S146 I149 K150 L164 L184 T185 Q192 I193S146-F188 WeakPolarHBondContact O-CE2 3.24Å; I149-F188 HydrophobicContact CB-CZ 4.31Å; I149-F188 HydrophobicContact CG2-CE1 4.31Å; I149-F188 HydrophobicContact CG2-CZ 3.88Å; K150-F188 HydrophobicContact CB-CE2 4.16Å; K150-F188 HydrophobicContact CB-CZ 3.85Å; K150-F188 HydrophobicContact CD-CE1 4.29Å; K150-F188 HydrophobicContact CD-CZ 4.35Å; L164-F188 HydrophobicContact CD1-CB 4.45Å; L164-F188 HydrophobicContact CD1-CD1 3.99Å; L164-F188 HydrophobicContact CD1-CD2 3.46Å; L164-F188 VanDerWaalsContact CD1-CD2 3.46Å; L164-F188 HydrophobicContact CD1-CE1 4.08Å; L164-F188 HydrophobicContact CD1-CE2 3.59Å; L164-F188 HydrophobicContact CD1-CG 3.68Å; L164-F188 HydrophobicContact CD1-CZ 3.9Å; L164-F188 HydrophobicContact CD2-CE1 4.36Å; L164-F188 HydrophobicContact CD2-CZ 4.4Å; L164-F188 HydrophobicContact CG-CD1 4.32Å; L164-F188 HydrophobicContact CG-CE1 4.37Å; L164-F188 HydrophobicContact CG-CG 4.43Å; L184-F188 PolarHBondContact O-N 2.96Å; T185-F188 WeakPolarHBondContact CA-O 3.49Å; F188-Q192 HydrophobicContact CB-CB 4.25Å; F188-I193 HydrophobicContact CB-CD1 4.1Å; F188-I193 HydrophobicContact CB-CG1 3.98Å
189T96Very high95.6Very high80 Ų8042.4 Ų42.449%0.49121%0.214SC..  trans-75.2161172.762.60000110.7E191 Q192T189-E191 PolarHBondContact O-N 2.98Å; T189-Q192 WeakPolarHBondContact O-CB 3.41Å; T189-Q192 PolarHBondContact O-N 3.12Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.38Å; T189-Q192 PolarHBondContact OG1-OE1 3.25Å; T189-Q192 VanDerWaalsContact OG1-OE1 3.07Å
190E96.3Very high95.6Very high40 Ų4036.1 Ų36.119%0.18719%0.185CC..G310 helixtrans-61.9-32.5-179.2-170.865.2-163.200112.3Q192 I193 R195 Q449 R454 S455E190-Q192 PolarHBondContact O-N 3.03Å; E190-I193 PolarHBondContact O-N 2.82Å; E190-R195 IonicContact OE1-CZ 2.66Å; E190-R195 IonicContact OE1-NH1 3.72Å; E190-R195 PolarHBondContact OE1-NH1 3.31Å; E190-R195 IonicContact OE1-NH2 3.61Å; E190-R195 IonicContact OE2-CZ 2.8Å; E190-R195 IonicContact OE2-NH1 2.7Å; E190-R195 PolarHBondContact OE2-NH1 2.96Å; E190-R195 IonicContact OE2-NH2 3.66Å; E190-R195 PolarHBondContact OE2-NH2 2.82Å; E190-Q449 PolarHBondContact O-NE2 2.88Å; E190-R454 HydrophobicContact CG-CG 3.9Å; E190-R454 WeakPolarHBondContact OE1-CA 3.12Å; E190-R454 WeakPolarHBondContact OE1-CG 3.37Å; E190-S455 VanDerWaalsContact CD-OG 3.27Å; E190-S455 PolarHBondContact OE1-N 3.35Å; E190-S455 PolarHBondContact OE1-OG 3.15Å; E190-S455 WeakPolarHBondContact OE2-CB 3.28Å; E190-S455 PolarHBondContact OE2-OG 2.95Å
191E95.1Very high95.5Very high141 Ų14134.8 Ų34.866%0.65918%0.178SC*.G310 helixtrans-64.5-21.4175.3-66176.9-169.500113.3T189 Y194 Q449T189-E191 PolarHBondContact O-N 2.98Å; E191-Y194 VanDerWaalsContact O-CE2 3.29Å; E191-Y194 WeakPolarHBondContact O-CE2 3.4Å; E191-Q449 PolarHBondContact O-NE2 2.85Å
192Q96.3Very high95.5Very high36 Ų3635.2 Ų35.217%0.16818%0.179CC..G310 helixtrans-90.3-14.2178.6-63.3178.6-78.900112.8T162 R163 L164 F188 T189 E190T162-Q192 WeakPolarHBondContact O-CB 3.42Å; T162-Q192 VanDerWaalsContact O-CG 3.29Å; T162-Q192 WeakPolarHBondContact O-CG 3.4Å; T162-Q192 PolarHBondContact O-NE2 3.07Å; R163-Q192 CarbonylContact C-O 3.56Å; R163-Q192 WeakPolarHBondContact CA-O 3.48Å; L164-Q192 PolarHBondContact N-O 3.45Å; F188-Q192 HydrophobicContact CB-CB 4.25Å; T189-Q192 WeakPolarHBondContact O-CB 3.41Å; T189-Q192 PolarHBondContact O-N 3.12Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.38Å; T189-Q192 PolarHBondContact OG1-OE1 3.25Å; T189-Q192 VanDerWaalsContact OG1-OE1 3.07Å; E190-Q192 PolarHBondContact O-N 3.03Å
193I97.4Very high95.5Very high2 Ų234.7 Ų34.71%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-105.9119.9-173.1-56.6170.8000110.3I166 L184 F188 E190 R195 Q449I166-I193 HydrophobicContact CD1-CG2 3.89Å; I166-I193 HydrophobicContact CG1-CG2 4.14Å; L184-I193 HydrophobicContact CB-CD1 4.12Å; F188-I193 HydrophobicContact CB-CD1 4.1Å; F188-I193 HydrophobicContact CB-CG1 3.98Å; E190-I193 PolarHBondContact O-N 2.82Å; I193-R195 HydrophobicContact CG2-CG 3.85Å; I193-Q449 PolarHBondContact O-NE2 2.94Å
194Y98Very high95.6Very high4 Ų432.9 Ų32.92%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-112.994.9-179-71.1-108000108.8R163 L164 I165 I166 E191 V444 G447 Q449 F452R163-Y194 HydrophobicContact CB-CD2 4.14Å; R163-Y194 HydrophobicContact CB-CE2 3.97Å; R163-Y194 HydrophobicContact CG-CD2 4.36Å; R163-Y194 HydrophobicContact CG-CE2 3.68Å; L164-Y194 WeakPolarHBondContact O-CA 3.28Å; L164-Y194 WeakPolarHBondContact O-CB 3.33Å; L164-Y194 PolarHBondContact O-N 2.8Å; I165-Y194 WeakPolarHBondContact CA-O 3.36Å; I166-Y194 PolarHBondContact N-O 2.98Å; E191-Y194 VanDerWaalsContact O-CE2 3.29Å; E191-Y194 WeakPolarHBondContact O-CE2 3.4Å; Y194-V444 HydrophobicContact CD1-CB 4.1Å; Y194-V444 HydrophobicContact CD1-CG1 4.16Å; Y194-V444 HydrophobicContact CD1-CG2 3.42Å; Y194-V444 VanDerWaalsContact CD1-CG2 3.42Å; Y194-V444 HydrophobicContact CD2-CG1 4.28Å; Y194-V444 HydrophobicContact CE1-CB 4.28Å; Y194-V444 HydrophobicContact CE1-CG1 4.32Å; Y194-V444 HydrophobicContact CE1-CG2 4.05Å; Y194-V444 HydrophobicContact CE2-CG1 4.49Å; Y194-V444 HydrophobicContact CG-CG1 4.15Å; Y194-V444 HydrophobicContact CG-CG2 3.83Å; Y194-G447 WeakPolarHBondContact OH-CA 3.45Å; Y194-Q449 HydrophobicContact CD1-CG 4.41Å; Y194-Q449 HydrophobicContact CE1-CG 3.71Å; Y194-Q449 HydrophobicContact CE2-CG 4.38Å; Y194-F452 AromaticContact CD1-CD1 3.95Å; Y194-F452 HydrophobicContact CD1-CD1 3.95Å; Y194-F452 AromaticContact CD1-CD2 3.64Å; Y194-F452 HydrophobicContact CD1-CD2 3.64Å; Y194-F452 AromaticContact CD1-CE1 3.91Å; Y194-F452 HydrophobicContact CD1-CE1 3.91Å; Y194-F452 AromaticContact CD1-CE2 3.59Å; Y194-F452 HydrophobicContact CD1-CE2 3.59Å; Y194-F452 AromaticContact CD1-CG 3.81Å; Y194-F452 HydrophobicContact CD1-CG 3.81Å; Y194-F452 AromaticContact CD1-CZ 3.73Å; Y194-F452 HydrophobicContact CD1-CZ 3.73Å; Y194-F452 HydrophobicContact CE1-CD2 4.23Å; Y194-F452 HydrophobicContact CE1-CE2 4.16Å; Y194-F452 HydrophobicContact CG-CD1 4.26Å; Y194-F452 HydrophobicContact CG-CE1 4.33Å; Y194-F452 HydrophobicContact CG-CG 4.4Å
195R97.2Very high95.7Very high3 Ų332.8 Ų32.81%0.01116%0.161CC..EExtended strand (participates in β ladder)trans-86.1112.8-179.2-48.8-167.6-177.967.9-1.9110.3I166 F170 N181 E190 I193 D197 V453I166-R195 HydrophobicContact CD1-CG 3.84Å; I166-R195 HydrophobicContact CG1-CB 4.24Å; I166-R195 HydrophobicContact CG1-CG 3.84Å; F170-R195 HydrophobicContact CE1-CB 4.06Å; F170-R195 HydrophobicContact CE1-CG 4.45Å; F170-R195 HydrophobicContact CE2-CB 4.21Å; F170-R195 HydrophobicContact CZ-CB 3.73Å; N181-R195 PolarHBondContact OD1-NH2 3.2Å; E190-R195 IonicContact OE1-CZ 2.66Å; E190-R195 IonicContact OE1-NH1 3.72Å; E190-R195 PolarHBondContact OE1-NH1 3.31Å; E190-R195 IonicContact OE1-NH2 3.61Å; E190-R195 IonicContact OE2-CZ 2.8Å; E190-R195 IonicContact OE2-NH1 2.7Å; E190-R195 PolarHBondContact OE2-NH1 2.96Å; E190-R195 IonicContact OE2-NH2 3.66Å; E190-R195 PolarHBondContact OE2-NH2 2.82Å; I193-R195 HydrophobicContact CG2-CG 3.85Å; R195-D197 PolarHBondContact O-N 2.71Å; R195-V453 HydrophobicContact CB-CB 4.26Å; R195-V453 WeakPolarHBondContact CB-O 3.47Å; R195-V453 WeakPolarHBondContact CD-O 3.47Å; R195-V453 WeakPolarHBondContact CG-O 3.37Å; R195-V453 PolarHBondContact NH1-O 2.98Å; R195-V453 PolarHBondContact O-N 2.87Å; R195-V453 VanDerWaalsContact O-N 3.12Å
196I96.1Very high95.6Very high2 Ų231.8 Ų31.81%0.0115%0.152CC..BIsolated β-bridgetrans-72.6119.6-176.9-64.2-102.5000109.5I165 I166 E167 H198 Y437 L440 F452I165-I196 HydrophobicContact CG2-CD1 3.68Å; I165-I196 HydrophobicContact CG2-CG1 3.48Å; I165-I196 VanDerWaalsContact CG2-CG1 3.48Å; I166-I196 PolarHBondContact O-N 3.17Å; E167-I196 WeakPolarHBondContact OE2-CG2 3.36Å; I196-H198 HydrophobicContact CG2-CB 4.29Å; I196-Y437 HydrophobicContact CD1-CE1 4.35Å; I196-Y437 HydrophobicContact CG2-CE1 4.19Å; I196-L440 HydrophobicContact CD1-CB 4.11Å; I196-L440 HydrophobicContact CD1-CD1 4.07Å; I196-L440 HydrophobicContact CG2-CD1 4.28Å; I196-F452 HydrophobicContact CD1-CE1 4.16Å; I196-F452 HydrophobicContact CG1-CE1 4.45Å
197D95.6Very high95.6Very high3 Ų326.4 Ų26.42%0.01613%0.13CC..  trans-114.9104.9146.4-174.7-29.4000107.6R195 Y199 L200 N259 H260 Q263 V453R195-D197 PolarHBondContact O-N 2.71Å; D197-Y199 PolarHBondContact O-N 3.34Å; D197-Y199 WeakPolarHBondContact OD1-CB 3.33Å; D197-Y199 PolarHBondContact OD1-N 2.84Å; D197-L200 HydrophobicContact CB-CD1 4.11Å; D197-L200 HydrophobicContact CB-CG 4.21Å; D197-L200 WeakPolarHBondContact O-CB 3.47Å; D197-L200 PolarHBondContact O-N 2.97Å; D197-N259 WeakPolarHBondContact OD2-CB 3.39Å; D197-H260 VanDerWaalsContact CG-ND1 3.27Å; D197-H260 IonicContact OD1-CE1 2.77Å; D197-H260 PolarHBondContact OD1-CE1 3.39Å; D197-H260 VanDerWaalsContact OD1-CE1 3.26Å; D197-H260 IonicContact OD1-CG 2.69Å; D197-H260 IonicContact OD1-ND1 2.89Å; D197-H260 PolarHBondContact OD1-ND1 3.14Å; D197-H260 WeakPolarHBondContact OD2-CA 3.31Å; D197-H260 IonicContact OD2-CE1 3.2Å; D197-H260 PolarHBondContact OD2-N 2.96Å; D197-H260 IonicContact OD2-ND1 3.97Å; D197-H260 PolarHBondContact OD2-ND1 3.41Å; D197-H260 VanDerWaalsContact OD2-ND1 3.16Å; D197-Q263 HydrophobicContact CB-CG 4.39Å; D197-Q263 VanDerWaalsContact OD2-CG 3.32Å; D197-Q263 WeakPolarHBondContact OD2-CG 3.42Å; D197-V453 HydrophobicContact CB-CG2 3.66Å
198H93.5Very high95.5Very high46 Ų4624.6 Ų24.621%0.21312%0.121CC..THydrogen-bonded Turntrans-62.7-12.4-176.478.4-79.9000114.1I196 L200 G201 H260 A436 Y437I196-H198 HydrophobicContact CG2-CB 4.29Å; H198-L200 VanDerWaalsContact C-N 3.35Å; H198-G201 PolarHBondContact O-N 3.49Å; H198-H260 AromaticContact CE1-CE1 3.45Å; H198-H260 PolarHBondContact CE1-CE1 2.91Å; H198-H260 VanDerWaalsContact CE1-CE1 3.45Å; H198-H260 AromaticContact CE1-NE2 3.31Å; H198-H260 PolarHBondContact CE1-NE2 3.35Å; H198-H260 VanDerWaalsContact CE1-NE2 3.31Å; H198-H260 AromaticContact ND1-CE1 3.5Å; H198-H260 AromaticContact ND1-NE2 3.82Å; H198-A436 HydrophobicContact CB-CB 4.3Å; H198-A436 WeakPolarHBondContact O-CB 3.14Å; H198-Y437 HydrophobicContact CB-CE2 4.01Å
199Y94.3Very high95.4Very high4 Ų425.9 Ų25.92%0.01613%0.128CC..THydrogen-bonded Turntrans-71.4-30.3171.1-92.4-107.4000112.6D197 G201 K202 V205 F234 H260 I264 A365 V394 Q395D197-Y199 PolarHBondContact O-N 3.34Å; D197-Y199 WeakPolarHBondContact OD1-CB 3.33Å; D197-Y199 PolarHBondContact OD1-N 2.84Å; Y199-G201 PolarHBondContact O-N 3.44Å; Y199-K202 HydrophobicContact CD1-CD 3.87Å; Y199-K202 HydrophobicContact CE1-CD 4.04Å; Y199-K202 HydrophobicContact CG-CD 4.17Å; Y199-K202 WeakPolarHBondContact O-CB 3.45Å; Y199-K202 PolarHBondContact O-N 3.08Å; Y199-K202 VanDerWaalsContact O-N 3.08Å; Y199-V205 WeakPolarHBondContact O-CB 3.23Å; Y199-V205 WeakPolarHBondContact O-CG2 3.3Å; Y199-F234 HydrophobicContact CE1-CD2 4.21Å; Y199-F234 HydrophobicContact CE1-CE2 4.49Å; Y199-F234 HydrophobicContact CE2-CD2 4.31Å; Y199-F234 AromaticContact CE2-CE2 3.84Å; Y199-F234 HydrophobicContact CE2-CE2 3.84Å; Y199-F234 AromaticContact CZ-CD2 3.64Å; Y199-F234 AromaticContact CZ-CE2 3.5Å; Y199-F234 VanDerWaalsContact CZ-CE2 3.5Å; Y199-F234 WeakPolarHBondContact OH-CD2 3.5Å; Y199-F234 WeakPolarHBondContact OH-CE2 3.26Å; Y199-H260 HydrophobicContact CD1-CB 4.2Å; Y199-H260 HydrophobicContact CD2-CB 3.77Å; Y199-H260 AromaticContact CD2-CD2 3.55Å; Y199-H260 AromaticContact CD2-CE1 3.81Å; Y199-H260 AromaticContact CD2-CG 3.3Å; Y199-H260 AromaticContact CD2-ND1 3.49Å; Y199-H260 WeakPolarHBondContact CD2-ND1 3.23Å; Y199-H260 AromaticContact CD2-NE2 3.87Å; Y199-H260 HydrophobicContact CE2-CB 4.28Å; Y199-H260 AromaticContact CE2-CD2 3.66Å; Y199-H260 AromaticContact CE2-CG 3.84Å; Y199-H260 HydrophobicContact CG-CB 3.74Å; Y199-H260 AromaticContact CG-CG 3.77Å; Y199-H260 AromaticContact CG-ND1 3.97Å; Y199-I264 HydrophobicContact CD1-CD1 3.97Å; Y199-A365 HydrophobicContact CE1-CB 3.9Å; Y199-V394 HydrophobicContact CE1-CG1 4.48Å; Y199-Q395 PolarHBondContact OH-NE2 3.32Å
200L94.5Very high95.4Very high3 Ų326.5 Ų26.52%0.01613%0.127CC..THydrogen-bonded Turntrans-67.4-21.3175.4-64.5176.7000112.8D197 H198 K202 V205 Q206 Q263 L267 N451 V453D197-L200 HydrophobicContact CB-CD1 4.11Å; D197-L200 HydrophobicContact CB-CG 4.21Å; D197-L200 WeakPolarHBondContact O-CB 3.47Å; D197-L200 PolarHBondContact O-N 2.97Å; H198-L200 VanDerWaalsContact C-N 3.35Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-V205 HydrophobicContact CD2-CG1 4.33Å; L200-Q206 WeakPolarHBondContact O-CG 3.19Å; L200-Q206 PolarHBondContact O-NE2 3.19Å; L200-Q206 VanDerWaalsContact O-NE2 3.13Å; L200-Q263 HydrophobicContact CD1-CG 4.42Å; L200-Q263 HydrophobicContact CD2-CB 4.01Å; L200-Q263 HydrophobicContact CD2-CG 4.49Å; L200-Q263 HydrophobicContact CG-CB 4.42Å; L200-Q263 HydrophobicContact CG-CG 4.48Å; L200-L267 HydrophobicContact CD2-CD1 3.88Å; L200-N451 HydrophobicContact CB-CB 4.14Å; L200-N451 WeakPolarHBondContact CB-O 3.27Å; L200-N451 VanDerWaalsContact CD1-O 3.29Å; L200-N451 WeakPolarHBondContact CD1-O 3.35Å; L200-V453 HydrophobicContact CD1-CG2 4.09Å
201G93.6Very high95.3Very high1 Ų125.6 Ų25.61%0.0112%0.124CC..THydrogen-bonded Turntrans-81.4-4.5172.900000114.4H198 Y199 A436H198-G201 PolarHBondContact O-N 3.49Å; Y199-G201 PolarHBondContact O-N 3.44Å; G201-A436 WeakPolarHBondContact O-CA 3.13Å
202K94.7Very high95.3Very high32 Ų3219.2 Ų19.214%0.1399%0.093CC..SBendtrans-80.9137.7-178.1-67.6-177.3176-70.90111.6Y199 L200 M204 V205 Q206 V394 A436Y199-K202 HydrophobicContact CD1-CD 3.87Å; Y199-K202 HydrophobicContact CE1-CD 4.04Å; Y199-K202 HydrophobicContact CG-CD 4.17Å; Y199-K202 WeakPolarHBondContact O-CB 3.45Å; Y199-K202 PolarHBondContact O-N 3.08Å; Y199-K202 VanDerWaalsContact O-N 3.08Å; L200-K202 VanDerWaalsContact C-N 3.31Å; K202-M204 PolarHBondContact O-N 3.39Å; K202-V205 HydrophobicContact CB-CB 4.31Å; K202-V205 HydrophobicContact CB-CG2 4.02Å; K202-V205 WeakPolarHBondContact O-CB 3.01Å; K202-V205 PolarHBondContact O-N 3Å; K202-Q206 PolarHBondContact O-N 3Å; K202-Q206 VanDerWaalsContact O-N 3.1Å; K202-V394 HydrophobicContact CB-CG1 4.13Å; K202-V394 HydrophobicContact CD-CG1 3.54Å; K202-V394 HydrophobicContact CG-CG1 4.48Å; K202-A436 HydrophobicContact CG-CB 4.33Å
203E94.3Very high95.2Very high48 Ų4820.3 Ų20.322%0.22410%0.098CC..Hα-helixtrans-47.6-54.6-177.6-170.362.8-139.700113V205 Q206 N207 Y424 L433 R439E203-V205 VanDerWaalsContact C-N 3.28Å; E203-V205 PolarHBondContact O-N 3.38Å; E203-Q206 PolarHBondContact O-N 3.07Å; E203-N207 PolarHBondContact O-N 2.61Å; E203-Y424 HydrophobicContact CG-CD2 4.45Å; E203-Y424 HydrophobicContact CG-CE2 3.87Å; E203-L433 HydrophobicContact CB-CD1 4.42Å; E203-L433 HydrophobicContact CB-CD2 4.49Å; E203-L433 HydrophobicContact CG-CD1 4.42Å; E203-L433 HydrophobicContact CG-CD2 3.9Å; E203-R439 IonicContact OE1-NH1 3.6Å; E203-R439 IonicContact OE2-CZ 3.74Å; E203-R439 IonicContact OE2-NH1 2.67Å; E203-R439 PolarHBondContact OE2-NH1 3.23Å; E203-R439 IonicContact OE2-NH2 3.05Å; E203-R439 PolarHBondContact OE2-NH2 3.2Å
204M95.6Very high95.1Very high1 Ų124.4 Ų24.41%0.00513%0.126CC..Hα-helixtrans-72.1-21.9-175.5-60.2-48.4-59.300113.8K202 I392 R393 V394 E398 V400 Y424K202-M204 PolarHBondContact O-N 3.39Å; M204-I392 HydrophobicContact CB-CG2 4.06Å; M204-I392 HydrophobicContact CE-CG2 3.86Å; M204-R393 WeakPolarHBondContact CG-O 3.37Å; M204-V394 HydrophobicContact CB-CB 4.34Å; M204-V394 HydrophobicContact CB-CG2 4.11Å; M204-E398 HydrophobicContact CG-CB 3.62Å; M204-E398 HydrophobicContact CG-CG 3.61Å; M204-E398 HydrophobicContact SD-CB 3.86Å; M204-E398 HydrophobicContact SD-CG 4.36Å; M204-V400 HydrophobicContact CE-CG2 3.27Å; M204-Y424 HydrophobicContact CE-CE1 4.08Å; M204-Y424 HydrophobicContact SD-CD1 4.37Å; M204-Y424 HydrophobicContact SD-CD2 4.16Å; M204-Y424 HydrophobicContact SD-CE1 3.86Å; M204-Y424 HydrophobicContact SD-CE2 3.62Å
205V96.4Very high95Very high1 Ų127.2 Ų27.21%0.00614%0.141CC..Hα-helixtrans-73.4-42.4173.5176.30000109.4Y199 L200 K202 E203 N207 L208 I264 L267 V394Y199-V205 WeakPolarHBondContact O-CB 3.23Å; Y199-V205 WeakPolarHBondContact O-CG2 3.3Å; L200-V205 HydrophobicContact CD2-CG1 4.33Å; K202-V205 HydrophobicContact CB-CB 4.31Å; K202-V205 HydrophobicContact CB-CG2 4.02Å; K202-V205 WeakPolarHBondContact O-CB 3.01Å; K202-V205 PolarHBondContact O-N 3Å; E203-V205 VanDerWaalsContact C-N 3.28Å; E203-V205 PolarHBondContact O-N 3.38Å; V205-N207 VanDerWaalsContact C-N 3.3Å; V205-N207 PolarHBondContact O-N 2.91Å; V205-L208 VanDerWaalsContact O-CB 3.31Å; V205-L208 WeakPolarHBondContact O-CB 2.98Å; V205-L208 WeakPolarHBondContact O-CG 3.45Å; V205-L208 PolarHBondContact O-N 3.22Å; V205-I264 HydrophobicContact CG1-CG1 4.36Å; V205-I264 HydrophobicContact CG2-CD1 4.28Å; V205-I264 HydrophobicContact CG2-CG1 4.21Å; V205-L267 HydrophobicContact CG1-CD1 3.51Å; V205-V394 HydrophobicContact CG2-CG1 3.78Å; V205-V394 HydrophobicContact CG2-CG2 3.96Å
206Q93.5Very high94.8Very high41 Ų4135.7 Ų35.719%0.19218%0.18CC..Hα-helixtrans-65.4-36.8174.1-61.9-163.7-9.200112.2L200 K202 E203 L208 L209 R439 N451L200-Q206 WeakPolarHBondContact O-CG 3.19Å; L200-Q206 PolarHBondContact O-NE2 3.19Å; L200-Q206 VanDerWaalsContact O-NE2 3.13Å; K202-Q206 PolarHBondContact O-N 3Å; K202-Q206 VanDerWaalsContact O-N 3.1Å; E203-Q206 PolarHBondContact O-N 3.07Å; Q206-L208 PolarHBondContact O-N 3.33Å; Q206-L208 VanDerWaalsContact O-N 3.11Å; Q206-L209 PolarHBondContact O-N 2.89Å; Q206-R439 VanDerWaalsContact CD-CD 3.5Å; Q206-R439 VanDerWaalsContact OE1-CD 3.27Å; Q206-N451 PolarHBondContact NE2-ND2 2.85Å; Q206-N451 PolarHBondContact NE2-OD1 3.33Å
207N95.4Very high94.8Very high23 Ų2340.6 Ų40.612%0.12321%0.21CC..Hα-helixtrans-64.3-16.1178.2-160.725.2000113.3E203 V205 L209 I210 L211 Y424E203-N207 PolarHBondContact O-N 2.61Å; V205-N207 VanDerWaalsContact C-N 3.3Å; V205-N207 PolarHBondContact O-N 2.91Å; N207-L209 VanDerWaalsContact C-N 3.27Å; N207-L209 PolarHBondContact O-N 3.22Å; N207-I210 PolarHBondContact O-N 3.02Å; N207-L211 VanDerWaalsContact O-CB 3.3Å; N207-L211 WeakPolarHBondContact O-CB 3.32Å; N207-L211 VanDerWaalsContact O-CG 3.26Å; N207-L211 WeakPolarHBondContact O-CG 3.32Å; N207-L211 PolarHBondContact O-N 3.11Å; N207-Y424 PolarHBondContact ND2-OH 2.89Å
208L95.5Very high94.7Very high1 Ų141.6 Ų41.61%0.00521%0.214CC..Hα-helixtrans-57.1-40.3174.5-71.7169.8000112.1V205 Q206 R212 I264 L267 V268 I392V205-L208 VanDerWaalsContact O-CB 3.31Å; V205-L208 WeakPolarHBondContact O-CB 2.98Å; V205-L208 WeakPolarHBondContact O-CG 3.45Å; V205-L208 PolarHBondContact O-N 3.22Å; Q206-L208 PolarHBondContact O-N 3.33Å; Q206-L208 VanDerWaalsContact O-N 3.11Å; L208-R212 WeakPolarHBondContact O-CB 3.49Å; L208-R212 WeakPolarHBondContact O-CG 3.25Å; L208-R212 PolarHBondContact O-N 2.92Å; L208-R212 VanDerWaalsContact O-N 3.1Å; L208-I264 HydrophobicContact CD1-CG2 4.15Å; L208-L267 HydrophobicContact CD1-CB 4.08Å; L208-L267 HydrophobicContact CD1-CD1 4.47Å; L208-V268 HydrophobicContact CD1-CG2 4.06Å; L208-V268 HydrophobicContact CD2-CG2 4.21Å; L208-I392 HydrophobicContact CD2-CB 4.46Å; L208-I392 HydrophobicContact CD2-CD1 3.88Å; L208-I392 HydrophobicContact CD2-CG1 4.15Å; L208-I392 HydrophobicContact CD2-CG2 4.41Å
209L94Very high94.6Very high31 Ų3142.8 Ų42.816%0.16223%0.228CC..Hα-helixtrans-65.5-46.8178.8-66.9176.5000111.1Q206 N207 R212 F213 L267 M270 I281Q206-L209 PolarHBondContact O-N 2.89Å; N207-L209 VanDerWaalsContact C-N 3.27Å; N207-L209 PolarHBondContact O-N 3.22Å; L209-R212 PolarHBondContact O-N 3.36Å; L209-F213 HydrophobicContact CD2-CD2 4.27Å; L209-F213 HydrophobicContact CD2-CE2 3.89Å; L209-F213 WeakPolarHBondContact O-CB 3.45Å; L209-F213 WeakPolarHBondContact O-CD2 3.47Å; L209-F213 PolarHBondContact O-N 3.2Å; L209-L267 HydrophobicContact CD1-CD2 4.43Å; L209-L267 HydrophobicContact CD2-CD2 4.01Å; L209-L267 HydrophobicContact CG-CD2 4.22Å; L209-M270 HydrophobicContact CD2-CE 4.34Å; L209-M270 HydrophobicContact CD2-SD 3.52Å; L209-M270 VanDerWaalsContact CD2-SD 3.52Å; L209-I281 HydrophobicContact CD1-CD1 4.18Å; L209-I281 HydrophobicContact CD1-CG2 4.3Å
210I95.3Very high94.7Very high93 Ų9346.2 Ų46.248%0.47725%0.251SS..Hα-helixtrans-65.8-47.3-179.1-55.7-57.7000110.5N207 R212 C214 N215N207-I210 PolarHBondContact O-N 3.02Å; I210-R212 VanDerWaalsContact C-N 3.31Å; I210-R212 PolarHBondContact O-N 3.18Å; I210-C214 HydrophobicContact CG2-CB 4.22Å; I210-C214 VanDerWaalsContact O-CB 3.22Å; I210-C214 WeakPolarHBondContact O-CB 3.36Å; I210-C214 PolarHBondContact O-N 2.85Å; I210-N215 PolarHBondContact O-ND2 3Å
211L94.9Very high94.7Very high22 Ų2248.9 Ų48.912%0.11527%0.265CS..Hα-helixtrans-55.5-47177.3-75.8170.3000111.3N207 N215 F218 I392 V400N207-L211 VanDerWaalsContact O-CB 3.3Å; N207-L211 WeakPolarHBondContact O-CB 3.32Å; N207-L211 VanDerWaalsContact O-CG 3.26Å; N207-L211 WeakPolarHBondContact O-CG 3.32Å; N207-L211 PolarHBondContact O-N 3.11Å; L211-N215 WeakPolarHBondContact CA-ND2 3.23Å; L211-N215 WeakPolarHBondContact O-CB 3.33Å; L211-N215 PolarHBondContact O-ND2 3.35Å; L211-F218 HydrophobicContact CD2-CE2 4.29Å; L211-F218 WeakPolarHBondContact O-CD2 3.44Å; L211-I392 HydrophobicContact CD1-CG1 3.94Å; L211-V400 HydrophobicContact CD1-CG1 4.33Å; L211-V400 HydrophobicContact CD1-CG2 3.94Å; L211-V400 HydrophobicContact CD2-CG1 4.44Å
212R95Very high94.9Very high7 Ų749.1 Ų49.13%0.02627%0.265CS..Hα-helixtrans-73.2-45.3-176-69.2177.868.6-142.3-8.7113.3L208 L209 I210 W222 L267 V268 M270L208-R212 WeakPolarHBondContact O-CB 3.49Å; L208-R212 WeakPolarHBondContact O-CG 3.25Å; L208-R212 PolarHBondContact O-N 2.92Å; L208-R212 VanDerWaalsContact O-N 3.1Å; L209-R212 PolarHBondContact O-N 3.36Å; I210-R212 VanDerWaalsContact C-N 3.31Å; I210-R212 PolarHBondContact O-N 3.18Å; R212-W222 HydrophobicContact CG-CD2 4.11Å; R212-W222 HydrophobicContact CG-CE3 4.33Å; R212-W222 HydrophobicContact CG-CH2 3.97Å; R212-W222 HydrophobicContact CG-CZ2 3.74Å; R212-W222 HydrophobicContact CG-CZ3 4.25Å; R212-W222 VanDerWaalsContact NE-CE2 3.32Å; R212-L267 PolarHBondContact NH1-O 3.09Å; R212-V268 PolarHBondContact NE-O 2.88Å; R212-V268 PolarHBondContact NH1-O 3.36Å; R212-V268 PolarHBondContact NH2-O 2.83Å; R212-M270 VanDerWaalsContact CZ-O 3.27Å; R212-M270 VanDerWaalsContact NH1-CG 3.31Å; R212-M270 PolarHBondContact NH1-O 3.29Å; R212-M270 PolarHBondContact NH2-O 3.1Å
213F94.6Very high95.1Very high58 Ų5849.1 Ų49.125%0.25427%0.267SS..Hα-helixtrans-102.4-15.7-165.2-58.3-54.1000114.7L209 M270 E271 K272L209-F213 HydrophobicContact CD2-CD2 4.27Å; L209-F213 HydrophobicContact CD2-CE2 3.89Å; L209-F213 WeakPolarHBondContact O-CB 3.45Å; L209-F213 WeakPolarHBondContact O-CD2 3.47Å; L209-F213 PolarHBondContact O-N 3.2Å; F213-M270 HydrophobicContact CE2-CG 4.5Å; F213-M270 HydrophobicContact CZ-CG 4.37Å; F213-E271 WeakPolarHBondContact CZ-O 3.4Å; F213-K272 HydrophobicContact CD1-CB 3.85Å; F213-K272 HydrophobicContact CD1-CG 3.92Å; F213-K272 VanDerWaalsContact CE1-CA 3.44Å; F213-K272 HydrophobicContact CE1-CB 3.69Å; F213-K272 HydrophobicContact CE1-CG 4.23Å; F213-K272 HydrophobicContact CG-CG 4.33Å; F213-K272 HydrophobicContact CZ-CB 4.36Å
214C95Very high95.2Very high89 Ų8950.9 Ų50.960%0.60127%0.271SS*.SBendtrans-96-7.3175.8-59.10000113.5I210I210-C214 HydrophobicContact CG2-CB 4.22Å; I210-C214 VanDerWaalsContact O-CB 3.22Å; I210-C214 WeakPolarHBondContact O-CB 3.36Å; I210-C214 PolarHBondContact O-N 2.85Å
215N95.7Very high95.3Very high62 Ų6256.7 Ų56.733%0.33230%0.299SS..  trans-116.7113.4-173.6-61.8-78.4000112I210 L211 V217 F218 S219I210-N215 PolarHBondContact O-ND2 3Å; L211-N215 WeakPolarHBondContact CA-ND2 3.23Å; L211-N215 WeakPolarHBondContact O-CB 3.33Å; L211-N215 PolarHBondContact O-ND2 3.35Å; N215-V217 PolarHBondContact O-N 2.91Å; N215-F218 HydrophobicContact CB-CD2 3.73Å; N215-F218 HydrophobicContact CB-CE2 4.41Å; N215-F218 PolarHBondContact O-N 3.49Å; N215-S219 PolarHBondContact O-N 2.93Å
216Q94.1Very high95.3Very high181 Ų18159.3 Ų59.385%0.84631%0.313SS*.THydrogen-bonded Turntrans-62.9-22.6175.1-73.7-167.8-11.700113.4P220Q216-P220 WeakPolarHBondContact O-CD 3.4Å
217V94.5Very high95.5Very high105 Ų10557.3 Ų57.364%0.63630%0.303SS*.THydrogen-bonded Turntrans-67.1-39176.7-178.60000111.2N215 L221N215-V217 PolarHBondContact O-N 2.91Å; V217-L221 WeakPolarHBondContact O-CD1 3.3Å; V217-L221 WeakPolarHBondContact O-CG 3.45Å
218F94.7Very high95.6Very high24 Ų2457.9 Ų57.911%0.10531%0.306CS..THydrogen-bonded Turntrans-90-32.2-176.4-62.6-51.5000113.6L211 N215 L221 W222 L390 I402L211-F218 HydrophobicContact CD2-CE2 4.29Å; L211-F218 WeakPolarHBondContact O-CD2 3.44Å; N215-F218 HydrophobicContact CB-CD2 3.73Å; N215-F218 HydrophobicContact CB-CE2 4.41Å; N215-F218 PolarHBondContact O-N 3.49Å; F218-L221 PolarHBondContact O-N 3.44Å; F218-W222 HydrophobicContact CB-CE3 4.22Å; F218-W222 HydrophobicContact CB-CZ3 4.47Å; F218-W222 PolarHBondContact O-N 2.8Å; F218-W222 VanDerWaalsContact O-N 3.11Å; F218-L390 HydrophobicContact CD1-CD2 4.26Å; F218-L390 HydrophobicContact CE1-CD1 4.23Å; F218-L390 HydrophobicContact CE1-CD2 4.06Å; F218-L390 HydrophobicContact CZ-CD1 4.19Å; F218-L390 HydrophobicContact CZ-CD2 4.46Å; F218-I402 HydrophobicContact CE1-CD1 3.72Å; F218-I402 HydrophobicContact CZ-CD1 3.84Å
219S91.2Very high95.7Very high71 Ų7157.8 Ų57.850%0.49731%0.306SS..G310 helixtrans-49.2-51.4-177.9-178.40000114.9N215 L221 W222N215-S219 PolarHBondContact O-N 2.93Å; S219-L221 VanDerWaalsContact C-N 3.3Å; S219-L221 PolarHBondContact O-N 2.82Å; S219-W222 PolarHBondContact O-N 2.88Å
220P95.2Very high96Very high77 Ų7756.3 Ų56.350%0.530%0.298SS..G310 helixtrans-73.4-21.1179.829.9-35.1000113.4Q216 N223 N226Q216-P220 WeakPolarHBondContact O-CD 3.4Å; P220-N223 PolarHBondContact O-ND2 2.89Å; P220-N226 PolarHBondContact O-ND2 3.41Å
221L96.4Very high96.1Very high58 Ų5852 Ų5230%0.30428%0.276SS..G310 helixtrans-84.4-14.7179.8-57.7179.3000112.5V217 F218 S219 N223 N226 F371V217-L221 WeakPolarHBondContact O-CD1 3.3Å; V217-L221 WeakPolarHBondContact O-CG 3.45Å; F218-L221 PolarHBondContact O-N 3.44Å; S219-L221 VanDerWaalsContact C-N 3.3Å; S219-L221 PolarHBondContact O-N 2.82Å; L221-N223 VanDerWaalsContact C-N 3.27Å; L221-N223 PolarHBondContact O-N 3.06Å; L221-N226 HydrophobicContact CD2-CB 4.48Å; L221-N226 WeakPolarHBondContact O-CB 2.99Å; L221-F371 HydrophobicContact CB-CE1 3.97Å
222W97.6Very high96.3Very high6 Ų651 Ų512%0.02327%0.271CS..SBendtrans-8454.9-170.1-145-85.6000114.3R212 F218 S219 I227 V268 R346 W347 V369 L390R212-W222 HydrophobicContact CG-CD2 4.11Å; R212-W222 HydrophobicContact CG-CE3 4.33Å; R212-W222 HydrophobicContact CG-CH2 3.97Å; R212-W222 HydrophobicContact CG-CZ2 3.74Å; R212-W222 HydrophobicContact CG-CZ3 4.25Å; R212-W222 VanDerWaalsContact NE-CE2 3.32Å; F218-W222 HydrophobicContact CB-CE3 4.22Å; F218-W222 HydrophobicContact CB-CZ3 4.47Å; F218-W222 PolarHBondContact O-N 2.8Å; F218-W222 VanDerWaalsContact O-N 3.11Å; S219-W222 PolarHBondContact O-N 2.88Å; W222-I227 HydrophobicContact CD2-CD1 4.48Å; W222-I227 HydrophobicContact CG-CD1 4.45Å; W222-V268 HydrophobicContact CZ2-CG1 4.17Å; W222-V268 PolarHBondContact NE1-O 3.34Å; W222-R346 WeakPolarHBondContact O-CD 3.29Å; W222-R346 PolarHBondContact O-NH1 3.29Å; W222-W347 AromaticContact CD1-CH2 3.53Å; W222-W347 AromaticContact CD1-CZ2 3.57Å; W222-W347 HydrophobicContact CG-CH2 4.48Å; W222-W347 AromaticContact NE1-CH2 3.6Å; W222-W347 AromaticContact NE1-CZ2 3.69Å; W222-V369 HydrophobicContact CH2-CG2 3.93Å; W222-V369 HydrophobicContact CZ2-CG2 4.13Å; W222-L390 HydrophobicContact CH2-CD2 3.79Å; W222-L390 HydrophobicContact CZ3-CD2 3.47Å; W222-L390 VanDerWaalsContact CZ3-CD2 3.47Å
223N97.7Very high96.4Very high32 Ų3251.2 Ų51.217%0.17127%0.274CS..SBendtrans-156.5169.9-177.455.854.4000112.1P220 L221 E225 N226 I227 R346P220-N223 PolarHBondContact O-ND2 2.89Å; L221-N223 VanDerWaalsContact C-N 3.27Å; L221-N223 PolarHBondContact O-N 3.06Å; N223-E225 PolarHBondContact O-N 3.31Å; N223-E225 VanDerWaalsContact O-N 3.1Å; N223-E225 WeakPolarHBondContact OD1-CB 3.46Å; N223-E225 PolarHBondContact OD1-N 2.64Å; N223-N226 PolarHBondContact O-N 3.16Å; N223-N226 VanDerWaalsContact O-N 3.11Å; N223-N226 PolarHBondContact OD1-N 2.84Å; N223-N226 PolarHBondContact OD1-ND2 3.28Å; N223-I227 WeakPolarHBondContact O-CB 3.17Å; N223-I227 PolarHBondContact O-N 3.19Å; N223-R346 HydrophobicContact CB-CG 4.06Å
224R97.3Very high96.6Very high85 Ų8549 Ų4932%0.32126%0.264SS..THydrogen-bonded Turntrans-57.6-16176.866.2-178.7-70.9-136.6-11116N226 D345 R346 K348 V350 K372R224-N226 VanDerWaalsContact C-N 3.32Å; R224-D345 WeakPolarHBondContact CD-O 3.44Å; R224-R346 VanDerWaalsContact CB-O 3.23Å; R224-R346 WeakPolarHBondContact CB-O 3.45Å; R224-R346 WeakPolarHBondContact CG-O 3.32Å; R224-R346 PolarHBondContact N-O 3.18Å; R224-K348 PolarHBondContact NE-O 2.99Å; R224-V350 HydrophobicContact CB-CG2 3.52Å; R224-K372 WeakPolarHBondContact O-CE 3.17Å; R224-K372 PolarHBondContact O-NZ 2.81Å
225E96.7Very high96.7Very high123 Ų12345.5 Ų45.558%0.57524%0.238SC*.THydrogen-bonded Turntrans-73.5-32.5176.8-60.8-53.5139.400110.6N223 K372N223-E225 PolarHBondContact O-N 3.31Å; N223-E225 VanDerWaalsContact O-N 3.1Å; N223-E225 WeakPolarHBondContact OD1-CB 3.46Å; N223-E225 PolarHBondContact OD1-N 2.64Å; E225-K372 WeakPolarHBondContact O-CD 3.38Å; E225-K372 WeakPolarHBondContact O-CE 3.48Å; E225-K372 PolarHBondContact O-NZ 3.47Å
226N97.1Very high96.7Very high56 Ų5643.9 Ų43.930%0.29923%0.229SC..THydrogen-bonded Turntrans-110.9-34.1-174.6-58.2-82.7000113.3P220 L221 N223 R224 F371 K372P220-N226 PolarHBondContact O-ND2 3.41Å; L221-N226 HydrophobicContact CD2-CB 4.48Å; L221-N226 WeakPolarHBondContact O-CB 2.99Å; N223-N226 PolarHBondContact O-N 3.16Å; N223-N226 VanDerWaalsContact O-N 3.11Å; N223-N226 PolarHBondContact OD1-N 2.84Å; N223-N226 PolarHBondContact OD1-ND2 3.28Å; R224-N226 VanDerWaalsContact C-N 3.32Å; N226-F371 HydrophobicContact CB-CD1 4.28Å; N226-F371 CarbonylContact O-C 3.48Å; N226-F371 WeakPolarHBondContact O-CA 3.02Å; N226-K372 PolarHBondContact O-N 3.13Å
227I98Very high96.8Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-88.4130.5-178.3-62.7173000109.4W222 N223 I230 W347 V350 V369 F371W222-I227 HydrophobicContact CD2-CD1 4.48Å; W222-I227 HydrophobicContact CG-CD1 4.45Å; N223-I227 WeakPolarHBondContact O-CB 3.17Å; N223-I227 PolarHBondContact O-N 3.19Å; I227-I230 HydrophobicContact CG2-CD1 4.32Å; I227-I230 HydrophobicContact CG2-CG1 3.84Å; I227-W347 HydrophobicContact CD1-CH2 3.85Å; I227-W347 HydrophobicContact CD1-CZ3 3.81Å; I227-W347 HydrophobicContact CG2-CZ3 4.41Å; I227-V350 HydrophobicContact CG2-CG1 3.97Å; I227-V369 HydrophobicContact CB-CG1 4.45Å; I227-V369 HydrophobicContact CD1-CG1 3.56Å; I227-V369 HydrophobicContact CG1-CG1 3.65Å; I227-V369 HydrophobicContact CG2-CG1 3.99Å; I227-F371 HydrophobicContact CG1-CD1 4.15Å; I227-F371 HydrophobicContact CG1-CE1 4.04Å
228D97.7Very high96.8Very high34 Ų3436.1 Ų36.118%0.18219%0.189CC..EExtended strand (participates in β ladder)trans-87.6-50.4173.4-175.4-90000110.8P351 Q370 K372 R387D228-P351 VanDerWaalsContact O-CD 3.3Å; D228-P351 WeakPolarHBondContact O-CD 3.37Å; D228-Q370 PolarHBondContact N-O 3.38Å; D228-K372 HydrophobicContact CB-CG 3.95Å; D228-R387 VanDerWaalsContact CG-CZ 3.46Å; D228-R387 IonicContact OD1-CZ 2.75Å; D228-R387 IonicContact OD1-NH1 3.61Å; D228-R387 PolarHBondContact OD1-NH1 2.77Å; D228-R387 IonicContact OD1-NH2 3.29Å; D228-R387 IonicContact OD2-CZ 3.81Å; D228-R387 VanDerWaalsContact OD2-CZ 3.27Å; D228-R387 IonicContact OD2-NH1 2.89Å; D228-R387 PolarHBondContact OD2-NH1 2.78Å; D228-R387 IonicContact OD2-NH2 2.76Å; D228-R387 PolarHBondContact OD2-NH2 2.83Å
229N98.4Very high96.7Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-153161.217964.585.1000111.7P351 Q370 G501N229-P351 HydrophobicContact CB-CG 3.86Å; N229-Q370 PolarHBondContact N-O 3.48Å; N229-Q370 PolarHBondContact ND2-OE1 3.33Å; N229-Q370 PolarHBondContact O-N 2.83Å; N229-G501 PolarHBondContact ND2-O 3.43Å
230I98.6Very high96.7Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-123126.5174.6-63.1-174.9000108.3I227 I232 V268 W347 P351 F352 I353 V367 R368 V369I227-I230 HydrophobicContact CG2-CD1 4.32Å; I227-I230 HydrophobicContact CG2-CG1 3.84Å; I230-I232 HydrophobicContact CG2-CG1 4.26Å; I230-V268 HydrophobicContact CD1-CG1 3.66Å; I230-V268 HydrophobicContact CG2-CG1 4.02Å; I230-W347 HydrophobicContact CD1-CE3 4.41Å; I230-W347 HydrophobicContact CD1-CH2 3.54Å; I230-W347 HydrophobicContact CD1-CZ2 4.47Å; I230-W347 HydrophobicContact CD1-CZ3 3.5Å; I230-W347 HydrophobicContact CG1-CZ3 4.5Å; I230-P351 PolarHBondContact N-O 3.28Å; I230-F352 HydrophobicContact CB-CD1 3.94Å; I230-F352 HydrophobicContact CB-CE1 4.07Å; I230-F352 HydrophobicContact CB-CG 4.46Å; I230-F352 HydrophobicContact CD1-CD1 4.38Å; I230-F352 HydrophobicContact CD1-CE1 3.62Å; I230-F352 HydrophobicContact CD1-CZ 3.75Å; I230-F352 HydrophobicContact CG1-CE1 4.33Å; I230-F352 HydrophobicContact CG2-CD1 3.98Å; I230-F352 HydrophobicContact CG2-CE1 4.11Å; I230-F352 CarbonylContact O-C 3.58Å; I230-F352 WeakPolarHBondContact O-CA 3.16Å; I230-I353 PolarHBondContact O-N 2.94Å; I230-V367 HydrophobicContact CG2-CG1 4.44Å; I230-R368 CarbonylContact C-O 3.59Å; I230-R368 WeakPolarHBondContact CA-O 3.31Å; I230-V369 HydrophobicContact CG1-CG2 4.43Å
231T98.3Very high96.3Very high3 Ų334.1 Ų34.12%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-113.6124.6175.7-59.60000110.1I353 R368T231-I353 CarbonylContact C-O 3.54Å; T231-I353 WeakPolarHBondContact CA-O 3.41Å; T231-I353 HydrophobicContact CG2-CB 4.35Å; T231-I353 HydrophobicContact CG2-CG2 4.3Å; T231-R368 PolarHBondContact N-O 3.27Å; T231-R368 PolarHBondContact O-N 2.91Å
232I98.3Very high95.6Very high1 Ų134 Ų341%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-113.4117.7173.8-50.9172.3000107.3I230 L261 I264 L265 I353 L354 R355 E366 V367I230-I232 HydrophobicContact CG2-CG1 4.26Å; I232-L261 HydrophobicContact CG2-CD2 3.82Å; I232-I264 HydrophobicContact CD1-CB 4.42Å; I232-I264 HydrophobicContact CD1-CG2 3.95Å; I232-I264 HydrophobicContact CG1-CG2 4.38Å; I232-I264 HydrophobicContact CG2-CB 4.19Å; I232-I264 HydrophobicContact CG2-CD1 4.34Å; I232-I264 HydrophobicContact CG2-CG2 3.82Å; I232-L265 HydrophobicContact CD1-CB 3.78Å; I232-L265 HydrophobicContact CD1-CG 4.5Å; I232-I353 PolarHBondContact N-O 3.06Å; I232-L354 HydrophobicContact CB-CD2 3.84Å; I232-L354 HydrophobicContact CD1-CD2 3.76Å; I232-L354 HydrophobicContact CG1-CD2 4.1Å; I232-R355 PolarHBondContact O-N 3.26Å; I232-E366 WeakPolarHBondContact CA-O 3.25Å; I232-V367 HydrophobicContact CG1-CG2 4.47Å; I232-V367 HydrophobicContact CG2-CG2 4.38Å
233S97.4Very high95.1Very high11 Ų1141.3 Ų41.38%0.07721%0.207CC..EExtended strand (participates in β ladder)trans-116.4140.4-174-66.30000111.8R355 A365 E366S233-R355 CarbonylContact C-O 3.53Å; S233-R355 WeakPolarHBondContact CA-O 3.21Å; S233-A365 CarbonylContact O-C 3.58Å; S233-A365 WeakPolarHBondContact O-CA 3.49Å; S233-E366 PolarHBondContact N-O 2.88Å; S233-E366 PolarHBondContact O-N 3.48Å
234F98Very high94.7Very high10 Ų1039.8 Ų39.84%0.04420%0.199CC..EExtended strand (participates in β ladder)trans-131.3123.7167.6177.3-72.1000108.8Y199 E236 V256 L261 R355 A356 G357 K364Y199-F234 HydrophobicContact CE1-CD2 4.21Å; Y199-F234 HydrophobicContact CE1-CE2 4.49Å; Y199-F234 HydrophobicContact CE2-CD2 4.31Å; Y199-F234 AromaticContact CE2-CE2 3.84Å; Y199-F234 HydrophobicContact CE2-CE2 3.84Å; Y199-F234 AromaticContact CZ-CD2 3.64Å; Y199-F234 AromaticContact CZ-CE2 3.5Å; Y199-F234 VanDerWaalsContact CZ-CE2 3.5Å; Y199-F234 WeakPolarHBondContact OH-CD2 3.5Å; Y199-F234 WeakPolarHBondContact OH-CE2 3.26Å; F234-E236 HydrophobicContact CD1-CG 4.42Å; F234-E236 VanDerWaalsContact CE1-CD 3.42Å; F234-E236 HydrophobicContact CE1-CG 3.51Å; F234-E236 HydrophobicContact CZ-CG 3.91Å; F234-V256 HydrophobicContact CB-CG1 3.85Å; F234-V256 HydrophobicContact CD1-CG1 3.75Å; F234-V256 HydrophobicContact CD1-CG2 4.22Å; F234-V256 HydrophobicContact CD2-CG1 3.63Å; F234-V256 HydrophobicContact CE1-CG1 4.16Å; F234-V256 HydrophobicContact CE1-CG2 3.86Å; F234-V256 HydrophobicContact CE2-CG1 4.01Å; F234-V256 HydrophobicContact CE2-CG2 4.3Å; F234-V256 HydrophobicContact CG-CG1 3.5Å; F234-V256 VanDerWaalsContact CG-CG1 3.5Å; F234-V256 HydrophobicContact CZ-CG1 4.31Å; F234-V256 HydrophobicContact CZ-CG2 3.93Å; F234-L261 HydrophobicContact CB-CD2 3.95Å; F234-R355 PolarHBondContact N-O 3.39Å; F234-A356 HydrophobicContact CB-CB 4.33Å; F234-A356 CarbonylContact O-C 3.54Å; F234-A356 VanDerWaalsContact O-CA 3.24Å; F234-A356 WeakPolarHBondContact O-CA 3.43Å; F234-G357 PolarHBondContact O-N 2.81Å; F234-K364 CarbonylContact C-O 3.54Å; F234-K364 WeakPolarHBondContact CA-O 3.42Å
235K97.6Very high94.4Very high16 Ų1636.7 Ų36.77%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-135134.2-175.8-56.5176.963.1179.30109.5L360 N361 E362 R363 K364 R487K235-L360 HydrophobicContact CB-CB 4.42Å; K235-L360 HydrophobicContact CB-CD1 3.9Å; K235-L360 HydrophobicContact CD-CD1 4.4Å; K235-L360 HydrophobicContact CG-CD1 3.73Å; K235-N361 VanDerWaalsContact CE-OD1 3.23Å; K235-N361 WeakPolarHBondContact CE-OD1 3.41Å; K235-N361 PolarHBondContact NZ-OD1 3.27Å; K235-E362 CarbonylContact C-O 3.53Å; K235-E362 WeakPolarHBondContact CB-O 3.31Å; K235-E362 HydrophobicContact CD-CG 4.37Å; K235-E362 IonicContact NZ-OE1 3.68Å; K235-E362 PolarHBondContact NZ-OE1 3.32Å; K235-R363 CarbonylContact O-C 3.56Å; K235-R363 VanDerWaalsContact O-CA 3.32Å; K235-R363 WeakPolarHBondContact O-CA 3.32Å; K235-K364 HydrophobicContact CB-CB 4.42Å; K235-K364 PolarHBondContact N-O 2.88Å; K235-K364 PolarHBondContact O-N 3.37Å; K235-R487 WeakPolarHBondContact CE-O 3.45Å; K235-R487 PolarHBondContact NZ-O 2.95Å
236E96.5Very high94Very high28 Ų2837.6 Ų37.613%0.13119%0.193CC..  trans-122.9135.2171.9-72.8176.8142.100110F234 F238 G357 K358 A359 L360F234-E236 HydrophobicContact CD1-CG 4.42Å; F234-E236 VanDerWaalsContact CE1-CD 3.42Å; F234-E236 HydrophobicContact CE1-CG 3.51Å; F234-E236 HydrophobicContact CZ-CG 3.91Å; E236-F238 VanDerWaalsContact C-N 3.26Å; E236-F238 HydrophobicContact CB-CD2 4.37Å; E236-F238 HydrophobicContact CB-CE1 4.27Å; E236-F238 HydrophobicContact CB-CE2 4.03Å; E236-F238 HydrophobicContact CB-CZ 3.98Å; E236-F238 HydrophobicContact CG-CE1 4.34Å; E236-F238 HydrophobicContact CG-CE2 4.09Å; E236-F238 HydrophobicContact CG-CZ 3.78Å; E236-F238 PolarHBondContact O-N 3.46Å; E236-F238 WeakPolarHBondContact OE1-CZ 3.45Å; E236-G357 PolarHBondContact N-O 2.94Å; E236-K358 CarbonylContact O-C 3.47Å; E236-K358 IonicContact OE2-NZ 3.73Å; E236-K358 PolarHBondContact OE2-NZ 3.48Å; E236-A359 PolarHBondContact O-N 2.75Å; E236-L360 PolarHBondContact O-N 3.25Å
237P95.5Very high93.9Very high47 Ų4735.6 Ų35.631%0.30518%0.182SC..SBendtrans-85.6-1.8-178.835.8-34.3000113.3L360 R363 Y484P237-L360 VanDerWaalsContact CA-O 3.27Å; P237-L360 WeakPolarHBondContact CA-O 3.36Å; P237-R363 HydrophobicContact CG-CB 4.06Å; P237-Y484 WeakPolarHBondContact O-CE1 3.32Å; P237-Y484 PolarHBondContact O-OH 3.49Å
238F94.6Very high93.7Very high77 Ų7737.1 Ų37.134%0.33819%0.19SC..SBendtrans-109.8152.9178.349.4-97.3000110.9E236 E241 A359 Y484E236-F238 VanDerWaalsContact C-N 3.26Å; E236-F238 HydrophobicContact CB-CD2 4.37Å; E236-F238 HydrophobicContact CB-CE1 4.27Å; E236-F238 HydrophobicContact CB-CE2 4.03Å; E236-F238 HydrophobicContact CB-CZ 3.98Å; E236-F238 HydrophobicContact CG-CE1 4.34Å; E236-F238 HydrophobicContact CG-CE2 4.09Å; E236-F238 HydrophobicContact CG-CZ 3.78Å; E236-F238 PolarHBondContact O-N 3.46Å; E236-F238 WeakPolarHBondContact OE1-CZ 3.45Å; F238-E241 HydrophobicContact CB-CG 4.19Å; F238-E241 HydrophobicContact CD2-CG 4.47Å; F238-A359 PolarHBondContact O-N 3.27Å; F238-Y484 VanDerWaalsContact CA-OH 3.25Å; F238-Y484 WeakPolarHBondContact CA-OH 3.32Å
239G93.1Very high93.4Very high4 Ų440.5 Ų40.54%0.04121%0.205CC..  trans-79.1-140.517500000112.1Y484G239-Y484 PolarHBondContact N-OH 3.34Å
240T90.3Very high93Very high11 Ų1141.9 Ų41.97%0.06721%0.211CC..  trans-89.3-4.3176500000115.1G242 R243 G244 F247 Y305 Y320 D323 K358T240-G242 VanDerWaalsContact C-N 3.29Å; T240-G242 PolarHBondContact O-N 2.57Å; T240-G242 VanDerWaalsContact O-N 3.16Å; T240-R243 WeakPolarHBondContact O-CA 2.93Å; T240-R243 WeakPolarHBondContact O-CB 3.36Å; T240-R243 PolarHBondContact O-N 3.44Å; T240-G244 WeakPolarHBondContact OG1-CA 3.49Å; T240-F247 HydrophobicContact CG2-CB 3.88Å; T240-F247 HydrophobicContact CG2-CD1 3.82Å; T240-F247 HydrophobicContact CG2-CG 3.83Å; T240-Y305 PolarHBondContact N-OH 2.95Å; T240-Y305 PolarHBondContact OG1-OH 3.01Å; T240-Y320 HydrophobicContact CG2-CD2 4.06Å; T240-Y320 HydrophobicContact CG2-CE2 3.61Å; T240-D323 PolarHBondContact OG1-OD2 2.87Å; T240-K358 HydrophobicContact CG2-CD 4.26Å
241E86.8Confident92.9Very high114 Ų11442 Ų4253%0.53321%0.212SC..THydrogen-bonded Turntrans47.446.4171.7-59-60.5132.100113.6F238 R243F238-E241 HydrophobicContact CB-CG 4.19Å; F238-E241 HydrophobicContact CD2-CG 4.47Å; E241-R243 PolarHBondContact O-N 3.33Å
242G82.8Confident92.8Very high56 Ų5641.8 Ų41.858%0.57721%0.211SC*.THydrogen-bonded Turntrans75.84.3-179.900000115.2T240 D323T240-G242 VanDerWaalsContact C-N 3.29Å; T240-G242 PolarHBondContact O-N 2.57Å; T240-G242 VanDerWaalsContact O-N 3.16Å; G242-D323 WeakPolarHBondContact CA-OD2 3.48Å
243R87.2Confident92.8Very high159 Ų15942 Ų4260%0.621%0.212SC*.  trans-101.620.5172.3-59-179.3174.4-164.7-9.2111.9D38 T240 E241 G245 Y246 F247D38-R243 IonicContact OD2-NH2 2.69Å; D38-R243 PolarHBondContact OD2-NH2 2.82Å; T240-R243 WeakPolarHBondContact O-CA 2.93Å; T240-R243 WeakPolarHBondContact O-CB 3.36Å; T240-R243 PolarHBondContact O-N 3.44Å; E241-R243 PolarHBondContact O-N 3.33Å; R243-G245 VanDerWaalsContact C-N 3.31Å; R243-G245 PolarHBondContact O-N 3.41Å; R243-Y246 PolarHBondContact O-N 3.23Å; R243-F247 PolarHBondContact O-N 3.33Å; R243-F247 VanDerWaalsContact O-N 3.08Å
244G89.1Confident92.7Very high0 Ų042.5 Ų42.50%021%0.212CC..Hα-helixtrans-55.2-44-176.600000112.7T240 Y246 F247 D248 Y320 D323 S325 V326T240-G244 WeakPolarHBondContact OG1-CA 3.49Å; G244-Y246 VanDerWaalsContact C-N 3.34Å; G244-Y246 PolarHBondContact O-N 3.1Å; G244-F247 CarbonylContact O-C 3.5Å; G244-F247 PolarHBondContact O-N 3.26Å; G244-D248 WeakPolarHBondContact O-CB 3.26Å; G244-D248 PolarHBondContact O-N 3.24Å; G244-Y320 PolarHBondContact O-OH 3.44Å; G244-D323 VanDerWaalsContact CA-OD2 3.3Å; G244-D323 WeakPolarHBondContact CA-OD2 3.4Å; G244-D323 PolarHBondContact N-OD2 3.44Å; G244-S325 PolarHBondContact N-OG 3.11Å; G244-V326 VanDerWaalsContact C-CG2 3.41Å; G244-V326 VanDerWaalsContact CA-CG2 3.43Å
245G90.6Very high92.5Very high21 Ų2144 Ų4422%0.21622%0.22CC..Hα-helixtrans-65.7-30-179.500000114.9R243 S325R243-G245 VanDerWaalsContact C-N 3.31Å; R243-G245 PolarHBondContact O-N 3.41Å; G245-S325 WeakPolarHBondContact CA-O 3.37Å; G245-S325 PolarHBondContact N-OG 3.04Å
246Y88.3Confident92.4Very high141 Ų14143.3 Ų43.355%0.55322%0.218SC*.Hα-helixtrans-73.6-46.5170.8176.9-94.5000110.4R243 G244 D248 Q249 F250R243-Y246 PolarHBondContact O-N 3.23Å; G244-Y246 VanDerWaalsContact C-N 3.34Å; G244-Y246 PolarHBondContact O-N 3.1Å; Y246-D248 PolarHBondContact O-N 3.11Å; Y246-Q249 PolarHBondContact O-N 3.13Å; Y246-F250 HydrophobicContact CD2-CE2 4.27Å; Y246-F250 HydrophobicContact CE1-CD2 4.18Å; Y246-F250 HydrophobicContact CE1-CE2 4.15Å; Y246-F250 HydrophobicContact CE2-CD2 4.49Å; Y246-F250 AromaticContact CE2-CE2 3.72Å; Y246-F250 HydrophobicContact CE2-CE2 3.72Å; Y246-F250 AromaticContact CZ-CE2 3.65Å; Y246-F250 WeakPolarHBondContact O-CD2 3.44Å
247F94Very high92.4Very high14 Ų1442.1 Ų42.16%0.06121%0.212CC..Hα-helixtrans-61.1-34.4178.8-175.6-96.3000112.3T240 R243 G244 Q249 F250 G251 I252 D255 Y320 T332 T334 K358T240-F247 HydrophobicContact CG2-CB 3.88Å; T240-F247 HydrophobicContact CG2-CD1 3.82Å; T240-F247 HydrophobicContact CG2-CG 3.83Å; R243-F247 PolarHBondContact O-N 3.33Å; R243-F247 VanDerWaalsContact O-N 3.08Å; G244-F247 CarbonylContact O-C 3.5Å; G244-F247 PolarHBondContact O-N 3.26Å; F247-Q249 PolarHBondContact O-N 3.31Å; F247-Q249 VanDerWaalsContact O-N 3.17Å; F247-F250 PolarHBondContact O-N 3.47Å; F247-G251 PolarHBondContact O-N 3.47Å; F247-I252 HydrophobicContact CE2-CD1 4.49Å; F247-I252 HydrophobicContact CZ-CB 4.02Å; F247-I252 HydrophobicContact CZ-CD1 4.29Å; F247-D255 HydrophobicContact CE2-CB 4.02Å; F247-Y320 HydrophobicContact CD1-CE2 4.02Å; F247-T332 HydrophobicContact CD1-CG2 4.42Å; F247-T332 HydrophobicContact CE1-CG2 4.27Å; F247-T334 HydrophobicContact CE1-CG2 3.98Å; F247-K358 HydrophobicContact CD2-CD 4.46Å; F247-K358 HydrophobicContact CE2-CD 4.01Å; F247-K358 HydrophobicContact CZ-CD 4.11Å
248D94.9Very high92.4Very high33 Ų3340.1 Ų40.118%0.17620%0.199CC..Hα-helixtrans-58.8-28.8-179.6-162.356.3000112.6G244 Y246 F250 Y320 P327 S330 T332G244-D248 WeakPolarHBondContact O-CB 3.26Å; G244-D248 PolarHBondContact O-N 3.24Å; Y246-D248 PolarHBondContact O-N 3.11Å; D248-F250 VanDerWaalsContact C-N 3.33Å; D248-F250 PolarHBondContact O-N 2.99Å; D248-Y320 VanDerWaalsContact CA-OH 3.26Å; D248-Y320 WeakPolarHBondContact CA-OH 3.41Å; D248-Y320 WeakPolarHBondContact CB-OH 3.3Å; D248-Y320 PolarHBondContact N-OH 3.46Å; D248-Y320 PolarHBondContact OD1-OH 3.22Å; D248-P327 VanDerWaalsContact OD2-CD 3.29Å; D248-P327 WeakPolarHBondContact OD2-CD 3.3Å; D248-S330 WeakPolarHBondContact OD1-CB 3.4Å; D248-S330 PolarHBondContact OD1-OG 3.14Å; D248-T332 PolarHBondContact O-OG1 3.1Å; D248-T332 VanDerWaalsContact OD1-CB 3.24Å; D248-T332 WeakPolarHBondContact OD1-CB 3.3Å; D248-T332 PolarHBondContact OD1-OG1 2.74Å
249Q90.5Very high92.4Very high104 Ų10436.9 Ų36.949%0.48619%0.185SC..THydrogen-bonded Turntrans-76.9-18.4177.8-60.2-176.56.300113.1R172 Y246 F247R172-Q249 VanDerWaalsContact CZ-O 3.3Å; R172-Q249 PolarHBondContact NE-O 2.91Å; R172-Q249 PolarHBondContact NH2-O 3.49Å; Y246-Q249 PolarHBondContact O-N 3.13Å; F247-Q249 PolarHBondContact O-N 3.31Å; F247-Q249 VanDerWaalsContact O-N 3.17Å
250F91.3Very high92.5Very high29 Ų2936.8 Ų36.813%0.12718%0.184CC..THydrogen-bonded Turntrans-117.6-44.6-173.9-62.6-83.3000112.1P169 R172 Y246 F247 D248 R254P169-F250 HydrophobicContact CB-CD1 4.46Å; P169-F250 HydrophobicContact CB-CE1 3.93Å; P169-F250 HydrophobicContact CG-CE1 3.71Å; P169-F250 HydrophobicContact CG-CZ 3.88Å; R172-F250 HydrophobicContact CG-CD1 4.09Å; R172-F250 HydrophobicContact CG-CE1 3.69Å; Y246-F250 HydrophobicContact CD2-CE2 4.27Å; Y246-F250 HydrophobicContact CE1-CD2 4.18Å; Y246-F250 HydrophobicContact CE1-CE2 4.15Å; Y246-F250 HydrophobicContact CE2-CD2 4.49Å; Y246-F250 AromaticContact CE2-CE2 3.72Å; Y246-F250 HydrophobicContact CE2-CE2 3.72Å; Y246-F250 AromaticContact CZ-CE2 3.65Å; Y246-F250 WeakPolarHBondContact O-CD2 3.44Å; F247-F250 PolarHBondContact O-N 3.47Å; D248-F250 VanDerWaalsContact C-N 3.33Å; D248-F250 PolarHBondContact O-N 2.99Å; F250-R254 HydrophobicContact CB-CB 4.08Å; F250-R254 WeakPolarHBondContact O-CB 3.39Å; F250-R254 VanDerWaalsContact O-CD 3.32Å; F250-R254 WeakPolarHBondContact O-CD 3.38Å; F250-R254 WeakPolarHBondContact O-CG 3.26Å; F250-R254 PolarHBondContact O-NH1 3.4Å
251G95.2Very high92.8Very high2 Ų236.4 Ų36.42%0.02118%0.181CC..Hα-helixtrans68.4170.6-172.600000113.2F247 I253 R254 D255 T332F247-G251 PolarHBondContact O-N 3.47Å; G251-I253 PolarHBondContact O-N 2.87Å; G251-R254 PolarHBondContact O-N 3.14Å; G251-D255 WeakPolarHBondContact O-CB 3.27Å; G251-D255 PolarHBondContact O-N 3.17Å; G251-T332 VanDerWaalsContact CA-CG2 3.48Å
252I97.1Very high93.3Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-62.6-30.5-172.3-164.962.9000113.5F247 D255 V256 V257 P333 V336 A356 K358F247-I252 HydrophobicContact CE2-CD1 4.49Å; F247-I252 HydrophobicContact CZ-CB 4.02Å; F247-I252 HydrophobicContact CZ-CD1 4.29Å; I252-D255 PolarHBondContact O-N 3.21Å; I252-V256 HydrophobicContact CD1-CB 4.27Å; I252-V256 HydrophobicContact CD1-CG2 3.88Å; I252-V256 PolarHBondContact O-N 3.41Å; I252-V257 PolarHBondContact O-N 3.44Å; I252-P333 WeakPolarHBondContact CB-O 3.47Å; I252-P333 HydrophobicContact CG2-CB 4.18Å; I252-P333 HydrophobicContact CG2-CG 4.41Å; I252-P333 WeakPolarHBondContact CG2-O 3.49Å; I252-P333 PolarHBondContact N-O 3.14Å; I252-V336 HydrophobicContact CG1-CG1 4.33Å; I252-V336 HydrophobicContact CG2-CB 3.84Å; I252-V336 HydrophobicContact CG2-CG1 3.6Å; I252-A356 HydrophobicContact CD1-CB 4.34Å; I252-A356 HydrophobicContact CG1-CB 3.85Å; I252-K358 HydrophobicContact CD1-CG 4.34Å
253I97.5Very high94Very high4 Ų428.5 Ų28.52%0.02113%0.129CC..Iπ-helixtrans-66.6-46.7-177.1-59.5173.3000109.9G251 V257 Q258 I300 I302 V336 L465 L469 L472G251-I253 PolarHBondContact O-N 2.87Å; I253-V257 HydrophobicContact CG2-CB 4.36Å; I253-V257 WeakPolarHBondContact O-CA 3.47Å; I253-V257 WeakPolarHBondContact O-CB 3Å; I253-V257 PolarHBondContact O-N 2.93Å; I253-V257 VanDerWaalsContact O-N 3.11Å; I253-Q258 PolarHBondContact O-N 3.19Å; I253-I300 HydrophobicContact CD1-CD1 3.88Å; I253-I302 HydrophobicContact CD1-CG2 4.34Å; I253-V336 HydrophobicContact CD1-CG2 4.36Å; I253-V336 HydrophobicContact CG1-CB 4.15Å; I253-V336 HydrophobicContact CG1-CG1 4.22Å; I253-V336 HydrophobicContact CG1-CG2 4.07Å; I253-L465 HydrophobicContact CG2-CD1 4.22Å; I253-L469 HydrophobicContact CB-CD2 3.9Å; I253-L469 HydrophobicContact CD1-CD2 4.07Å; I253-L469 HydrophobicContact CG2-CD1 4.46Å; I253-L469 HydrophobicContact CG2-CD2 3.74Å; I253-L469 HydrophobicContact CG2-CG 4.23Å; I253-L472 HydrophobicContact CD1-CD1 3.76Å
254R95.9Very high94.5Very high23 Ų2321.1 Ų21.19%0.08710%0.101CC..Iπ-helixtrans-75.6-34.9177.3-61.4-177.4176.4101.2-6.3112.1R172 F250 G251 N259 W462 L469 E473R172-R254 PolarHBondContact O-NE 3.15Å; R172-R254 PolarHBondContact O-NH2 3.37Å; F250-R254 HydrophobicContact CB-CB 4.08Å; F250-R254 WeakPolarHBondContact O-CB 3.39Å; F250-R254 VanDerWaalsContact O-CD 3.32Å; F250-R254 WeakPolarHBondContact O-CD 3.38Å; F250-R254 WeakPolarHBondContact O-CG 3.26Å; F250-R254 PolarHBondContact O-NH1 3.4Å; G251-R254 PolarHBondContact O-N 3.14Å; R254-N259 PolarHBondContact O-ND2 2.89Å; R254-W462 HydrophobicContact CB-CH2 4.45Å; R254-W462 HydrophobicContact CG-CH2 4.05Å; R254-W462 HydrophobicContact CG-CZ3 4.25Å; R254-L469 HydrophobicContact CG-CD1 4.07Å; R254-L469 HydrophobicContact CG-CD2 4.26Å; R254-E473 IonicContact CZ-OE1 3.45Å; R254-E473 IonicContact NH1-OE1 3.49Å; R254-E473 PolarHBondContact NH1-OE1 3.34Å; R254-E473 IonicContact NH2-OE1 2.66Å; R254-E473 PolarHBondContact NH2-OE1 3.28Å; R254-E473 IonicContact NH2-OE2 3.5Å
255D94.1Very high95Very high41 Ų4121.1 Ų21.122%0.21910%0.101CC..Iπ-helixtrans-68.3-42.4-177.4-172.730.1000112.2K168 F247 G251 I252 N259 K358K168-D255 PolarHBondContact NZ-O 3.2Å; K168-D255 IonicContact NZ-OD1 2.74Å; K168-D255 PolarHBondContact NZ-OD1 3.35Å; F247-D255 HydrophobicContact CE2-CB 4.02Å; G251-D255 WeakPolarHBondContact O-CB 3.27Å; G251-D255 PolarHBondContact O-N 3.17Å; I252-D255 PolarHBondContact O-N 3.21Å; D255-N259 PolarHBondContact O-ND2 3.28Å; D255-N259 PolarHBondContact O-OD1 3.36Å; D255-K358 IonicContact OD2-NZ 2.77Å
256V95.8Very high95.3Very high2 Ų220.1 Ų20.11%0.0129%0.091CC..Iπ-helixtrans-127.7-39.1-167.9177.10000114F234 I252 N259 H260 L261 A356F234-V256 HydrophobicContact CB-CG1 3.85Å; F234-V256 HydrophobicContact CD1-CG1 3.75Å; F234-V256 HydrophobicContact CD1-CG2 4.22Å; F234-V256 HydrophobicContact CD2-CG1 3.63Å; F234-V256 HydrophobicContact CE1-CG1 4.16Å; F234-V256 HydrophobicContact CE1-CG2 3.86Å; F234-V256 HydrophobicContact CE2-CG1 4.01Å; F234-V256 HydrophobicContact CE2-CG2 4.3Å; F234-V256 HydrophobicContact CG-CG1 3.5Å; F234-V256 VanDerWaalsContact CG-CG1 3.5Å; F234-V256 HydrophobicContact CZ-CG1 4.31Å; F234-V256 HydrophobicContact CZ-CG2 3.93Å; I252-V256 HydrophobicContact CD1-CB 4.27Å; I252-V256 HydrophobicContact CD1-CG2 3.88Å; I252-V256 PolarHBondContact O-N 3.41Å; V256-N259 VanDerWaalsContact C-OD1 3.31Å; V256-N259 VanDerWaalsContact CA-OD1 3.3Å; V256-N259 WeakPolarHBondContact CA-OD1 3.17Å; V256-N259 PolarHBondContact O-OD1 2.9Å; V256-N259 VanDerWaalsContact O-OD1 3.1Å; V256-H260 WeakPolarHBondContact O-CB 3.25Å; V256-H260 PolarHBondContact O-N 3.01Å; V256-H260 VanDerWaalsContact O-N 3.14Å; V256-L261 HydrophobicContact CG1-CD2 4.48Å; V256-L261 HydrophobicContact CG1-CG 4.17Å; V256-L261 PolarHBondContact O-N 2.98Å; V256-L261 VanDerWaalsContact O-N 3.14Å; V256-A356 HydrophobicContact CB-CB 4.21Å; V256-A356 HydrophobicContact CG1-CB 3.81Å
257V96.8Very high95.7Very high2 Ų213.9 Ų13.91%0.0127%0.067CC..Iπ-helixtrans-74.9-49.1-173.5-177.10000111.2I252 I253 N259 L261 I262 V336 L354 A356 L465I252-V257 PolarHBondContact O-N 3.44Å; I253-V257 HydrophobicContact CG2-CB 4.36Å; I253-V257 WeakPolarHBondContact O-CA 3.47Å; I253-V257 WeakPolarHBondContact O-CB 3Å; I253-V257 PolarHBondContact O-N 2.93Å; I253-V257 VanDerWaalsContact O-N 3.11Å; V257-N259 PolarHBondContact O-N 2.94Å; V257-L261 HydrophobicContact CG2-CD1 4.27Å; V257-I262 WeakPolarHBondContact O-CG1 3.23Å; V257-I262 PolarHBondContact O-N 2.82Å; V257-I262 VanDerWaalsContact O-N 3.1Å; V257-V336 HydrophobicContact CG2-CG1 3.41Å; V257-V336 VanDerWaalsContact CG2-CG1 3.41Å; V257-L354 HydrophobicContact CG1-CD1 3.96Å; V257-A356 HydrophobicContact CG2-CB 4Å; V257-L465 HydrophobicContact CG1-CD1 4.25Å; V257-L465 HydrophobicContact CG1-CD2 4.43Å
258Q95.7Very high95.9Very high5 Ų513.2 Ų13.22%0.0236%0.064CC..Iπ-helixtrans-60.2-30.2-175.1-175-83-26.700113.5I253 W462 L465I253-Q258 PolarHBondContact O-N 3.19Å; Q258-W462 HydrophobicContact CB-CH2 4.5Å; Q258-W462 HydrophobicContact CG-CD2 3.86Å; Q258-W462 HydrophobicContact CG-CE3 3.8Å; Q258-W462 HydrophobicContact CG-CH2 3.78Å; Q258-W462 HydrophobicContact CG-CZ2 3.85Å; Q258-W462 HydrophobicContact CG-CZ3 3.76Å; Q258-W462 VanDerWaalsContact NE2-CE2 3.34Å; Q258-L465 HydrophobicContact CB-CD1 3.54Å; Q258-L465 HydrophobicContact CG-CD1 3.95Å
259N93Very high96Very high9 Ų911.7 Ų11.75%0.0486%0.056CC..Iπ-helixtrans-104-87.1178.745.842.9000109.5K168 D197 R254 D255 V256 V257 L261 I262 Q263K168-N259 WeakPolarHBondContact CD-ND2 3.4Å; D197-N259 WeakPolarHBondContact OD2-CB 3.39Å; R254-N259 PolarHBondContact O-ND2 2.89Å; D255-N259 PolarHBondContact O-ND2 3.28Å; D255-N259 PolarHBondContact O-OD1 3.36Å; V256-N259 VanDerWaalsContact C-OD1 3.31Å; V256-N259 VanDerWaalsContact CA-OD1 3.3Å; V256-N259 WeakPolarHBondContact CA-OD1 3.17Å; V256-N259 PolarHBondContact O-OD1 2.9Å; V256-N259 VanDerWaalsContact O-OD1 3.1Å; V257-N259 PolarHBondContact O-N 2.94Å; N259-L261 PolarHBondContact O-N 2.65Å; N259-I262 PolarHBondContact O-N 3.47Å; N259-Q263 WeakPolarHBondContact O-CB 3.36Å; N259-Q263 VanDerWaalsContact O-CG 3.23Å; N259-Q263 WeakPolarHBondContact O-CG 3.45Å; N259-Q263 PolarHBondContact O-N 3.06Å
260H95.2Very high96.4Very high3 Ų36.7 Ų6.71%0.0143%0.033CC..Iπ-helixtrans-56.1-48.3-164.7-52.3-28.6000113K168 D197 H198 Y199 V256 I264K168-H260 PolarHBondContact NZ-NE2 3.28Å; D197-H260 VanDerWaalsContact CG-ND1 3.27Å; D197-H260 IonicContact OD1-CE1 2.77Å; D197-H260 PolarHBondContact OD1-CE1 3.39Å; D197-H260 VanDerWaalsContact OD1-CE1 3.26Å; D197-H260 IonicContact OD1-CG 2.69Å; D197-H260 IonicContact OD1-ND1 2.89Å; D197-H260 PolarHBondContact OD1-ND1 3.14Å; D197-H260 WeakPolarHBondContact OD2-CA 3.31Å; D197-H260 IonicContact OD2-CE1 3.2Å; D197-H260 PolarHBondContact OD2-N 2.96Å; D197-H260 IonicContact OD2-ND1 3.97Å; D197-H260 PolarHBondContact OD2-ND1 3.41Å; D197-H260 VanDerWaalsContact OD2-ND1 3.16Å; H198-H260 AromaticContact CE1-CE1 3.45Å; H198-H260 PolarHBondContact CE1-CE1 2.91Å; H198-H260 VanDerWaalsContact CE1-CE1 3.45Å; H198-H260 AromaticContact CE1-NE2 3.31Å; H198-H260 PolarHBondContact CE1-NE2 3.35Å; H198-H260 VanDerWaalsContact CE1-NE2 3.31Å; H198-H260 AromaticContact ND1-CE1 3.5Å; H198-H260 AromaticContact ND1-NE2 3.82Å; Y199-H260 HydrophobicContact CD1-CB 4.2Å; Y199-H260 HydrophobicContact CD2-CB 3.77Å; Y199-H260 AromaticContact CD2-CD2 3.55Å; Y199-H260 AromaticContact CD2-CE1 3.81Å; Y199-H260 AromaticContact CD2-CG 3.3Å; Y199-H260 AromaticContact CD2-ND1 3.49Å; Y199-H260 WeakPolarHBondContact CD2-ND1 3.23Å; Y199-H260 AromaticContact CD2-NE2 3.87Å; Y199-H260 HydrophobicContact CE2-CB 4.28Å; Y199-H260 AromaticContact CE2-CD2 3.66Å; Y199-H260 AromaticContact CE2-CG 3.84Å; Y199-H260 HydrophobicContact CG-CB 3.74Å; Y199-H260 AromaticContact CG-CG 3.77Å; Y199-H260 AromaticContact CG-ND1 3.97Å; V256-H260 WeakPolarHBondContact O-CB 3.25Å; V256-H260 PolarHBondContact O-N 3.01Å; V256-H260 VanDerWaalsContact O-N 3.14Å; H260-I264 VanDerWaalsContact O-CG1 3.32Å; H260-I264 WeakPolarHBondContact O-CG1 3.4Å; H260-I264 PolarHBondContact O-N 3.24Å
261L97.8Very high96.7Very high2 Ų27.9 Ų7.91%0.014%0.039CC..Iπ-helixtrans-74.3-40.1-176.3-60.2-161.4000112.8I232 F234 V256 V257 N259 Q263 I264 L265 L354 A356I232-L261 HydrophobicContact CG2-CD2 3.82Å; F234-L261 HydrophobicContact CB-CD2 3.95Å; V256-L261 HydrophobicContact CG1-CD2 4.48Å; V256-L261 HydrophobicContact CG1-CG 4.17Å; V256-L261 PolarHBondContact O-N 2.98Å; V256-L261 VanDerWaalsContact O-N 3.14Å; V257-L261 HydrophobicContact CG2-CD1 4.27Å; N259-L261 PolarHBondContact O-N 2.65Å; L261-Q263 VanDerWaalsContact C-N 3.3Å; L261-Q263 PolarHBondContact O-N 3.15Å; L261-I264 PolarHBondContact O-N 3.24Å; L261-L265 WeakPolarHBondContact O-CB 3.47Å; L261-L265 PolarHBondContact O-N 3.05Å; L261-L354 HydrophobicContact CB-CD1 4.26Å; L261-L354 HydrophobicContact CB-CD2 4.29Å; L261-L354 HydrophobicContact CD1-CB 4.01Å; L261-A356 HydrophobicContact CD1-CB 4.03Å
262I97.5Very high96.7Very high2 Ų214.9 Ų14.91%0.017%0.069CC..Hα-helixtrans-64.4-37.7175.2-80.1-175.3000111.1V257 N259 L265 S266 L289 L354 A461 L465V257-I262 WeakPolarHBondContact O-CG1 3.23Å; V257-I262 PolarHBondContact O-N 2.82Å; V257-I262 VanDerWaalsContact O-N 3.1Å; N259-I262 PolarHBondContact O-N 3.47Å; I262-L265 WeakPolarHBondContact O-CB 3.46Å; I262-L265 PolarHBondContact O-N 2.74Å; I262-S266 PolarHBondContact O-N 2.76Å; I262-L289 HydrophobicContact CG2-CD1 4.31Å; I262-L289 HydrophobicContact CG2-CD2 3.62Å; I262-L354 HydrophobicContact CG1-CD1 4.46Å; I262-A461 HydrophobicContact CD1-CB 4.21Å; I262-A461 HydrophobicContact CG2-CB 3.86Å; I262-L465 HydrophobicContact CD1-CD1 3.57Å; I262-L465 HydrophobicContact CD1-CD2 4.41Å; I262-L465 HydrophobicContact CD1-CG 3.87Å
263Q96.9Very high96.7Very high2 Ų215.8 Ų15.81%0.0098%0.075CC..Hα-helixtrans-63.6-43.7174.8-72.8-52.2-6100112.4D197 L200 N259 L261 L265 S266 L267 V453 E457D197-Q263 HydrophobicContact CB-CG 4.39Å; D197-Q263 VanDerWaalsContact OD2-CG 3.32Å; D197-Q263 WeakPolarHBondContact OD2-CG 3.42Å; L200-Q263 HydrophobicContact CD1-CG 4.42Å; L200-Q263 HydrophobicContact CD2-CB 4.01Å; L200-Q263 HydrophobicContact CD2-CG 4.49Å; L200-Q263 HydrophobicContact CG-CB 4.42Å; L200-Q263 HydrophobicContact CG-CG 4.48Å; N259-Q263 WeakPolarHBondContact O-CB 3.36Å; N259-Q263 VanDerWaalsContact O-CG 3.23Å; N259-Q263 WeakPolarHBondContact O-CG 3.45Å; N259-Q263 PolarHBondContact O-N 3.06Å; L261-Q263 VanDerWaalsContact C-N 3.3Å; L261-Q263 PolarHBondContact O-N 3.15Å; Q263-L265 VanDerWaalsContact C-N 3.34Å; Q263-S266 PolarHBondContact O-N 2.6Å; Q263-S266 PolarHBondContact O-OG 2.94Å; Q263-L267 PolarHBondContact O-N 2.62Å; Q263-V453 HydrophobicContact CG-CG2 4.49Å; Q263-E457 PolarHBondContact NE2-OE1 3.33Å; Q263-E457 VanDerWaalsContact OE1-CD 3.31Å; Q263-E457 PolarHBondContact OE1-OE1 3.37Å
264I97.8Very high96.6Very high4 Ų421.8 Ų21.82%0.02111%0.111CC..Hα-helixtrans-66.1-40.6174.4-67.2168.2000110.5Y199 V205 L208 I232 H260 L261 S266 L267 V268 V367Y199-I264 HydrophobicContact CD1-CD1 3.97Å; V205-I264 HydrophobicContact CG1-CG1 4.36Å; V205-I264 HydrophobicContact CG2-CD1 4.28Å; V205-I264 HydrophobicContact CG2-CG1 4.21Å; L208-I264 HydrophobicContact CD1-CG2 4.15Å; I232-I264 HydrophobicContact CD1-CB 4.42Å; I232-I264 HydrophobicContact CD1-CG2 3.95Å; I232-I264 HydrophobicContact CG1-CG2 4.38Å; I232-I264 HydrophobicContact CG2-CB 4.19Å; I232-I264 HydrophobicContact CG2-CD1 4.34Å; I232-I264 HydrophobicContact CG2-CG2 3.82Å; H260-I264 VanDerWaalsContact O-CG1 3.32Å; H260-I264 WeakPolarHBondContact O-CG1 3.4Å; H260-I264 PolarHBondContact O-N 3.24Å; L261-I264 PolarHBondContact O-N 3.24Å; I264-S266 VanDerWaalsContact C-N 3.32Å; I264-S266 PolarHBondContact O-N 2.68Å; I264-L267 PolarHBondContact O-N 3.24Å; I264-V268 HydrophobicContact CG2-CG2 4.14Å; I264-V268 VanDerWaalsContact O-CG2 3.27Å; I264-V268 WeakPolarHBondContact O-CG2 3.4Å; I264-V268 PolarHBondContact O-N 2.87Å; I264-V367 HydrophobicContact CG2-CG2 3.3Å
265L98.3Very high96.5Very high0 Ų022.5 Ų22.50%012%0.12CC..Hα-helixtrans-56.8-47176.6-177.7156.8000110.8I232 L261 I262 Q263 L267 V268 A269 V288 I292 L340 V342 F352 L354I232-L265 HydrophobicContact CD1-CB 3.78Å; I232-L265 HydrophobicContact CD1-CG 4.5Å; L261-L265 WeakPolarHBondContact O-CB 3.47Å; L261-L265 PolarHBondContact O-N 3.05Å; I262-L265 WeakPolarHBondContact O-CB 3.46Å; I262-L265 PolarHBondContact O-N 2.74Å; Q263-L265 VanDerWaalsContact C-N 3.34Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-L267 PolarHBondContact O-N 2.96Å; L265-V268 PolarHBondContact O-N 2.97Å; L265-A269 HydrophobicContact CD2-CB 4.45Å; L265-A269 VanDerWaalsContact O-CB 3.3Å; L265-A269 WeakPolarHBondContact O-CB 3.48Å; L265-A269 PolarHBondContact O-N 3.37Å; L265-V288 HydrophobicContact CD2-CG1 3.95Å; L265-I292 HydrophobicContact CD1-CD1 4.46Å; L265-I292 HydrophobicContact CD2-CD1 3.49Å; L265-I292 VanDerWaalsContact CD2-CD1 3.49Å; L265-L340 HydrophobicContact CD1-CD1 3.96Å; L265-V342 HydrophobicContact CD2-CG2 4.37Å; L265-F352 HydrophobicContact CD1-CB 3.84Å; L265-F352 HydrophobicContact CD1-CD1 3.99Å; L265-F352 HydrophobicContact CD1-CG 4.12Å; L265-F352 HydrophobicContact CG-CD1 3.82Å; L265-F352 HydrophobicContact CG-CE1 4.33Å; L265-F352 HydrophobicContact CG-CG 4.39Å; L265-L354 HydrophobicContact CD1-CD1 4.27Å; L265-L354 HydrophobicContact CD1-CD2 4.09Å; L265-L354 HydrophobicContact CD1-CG 4.47Å
266S97.7Very high96.3Very high0 Ų026.7 Ų26.70%015%0.146CC..Hα-helixtrans-61.7-42.3-179.470.10000111.5I262 Q263 I264 V268 A269 M270 K285 E457I262-S266 PolarHBondContact O-N 2.76Å; Q263-S266 PolarHBondContact O-N 2.6Å; Q263-S266 PolarHBondContact O-OG 2.94Å; I264-S266 VanDerWaalsContact C-N 3.32Å; I264-S266 PolarHBondContact O-N 2.68Å; S266-V268 PolarHBondContact O-N 3.41Å; S266-A269 PolarHBondContact O-N 3.27Å; S266-M270 WeakPolarHBondContact O-CB 3.49Å; S266-M270 WeakPolarHBondContact O-CG 3.4Å; S266-M270 PolarHBondContact O-N 3.39Å; S266-K285 WeakPolarHBondContact OG-CE 3.36Å; S266-E457 PolarHBondContact OG-OE1 2.83Å
267L97.2Very high96.2Very high10 Ų1031.6 Ų31.65%0.05217%0.173CC..Hα-helixtrans-65.9-34.6175.6-69.6172000113.7L200 V205 L208 L209 R212 Q263 I264 L265 M270 K285L200-L267 HydrophobicContact CD2-CD1 3.88Å; V205-L267 HydrophobicContact CG1-CD1 3.51Å; L208-L267 HydrophobicContact CD1-CB 4.08Å; L208-L267 HydrophobicContact CD1-CD1 4.47Å; L209-L267 HydrophobicContact CD1-CD2 4.43Å; L209-L267 HydrophobicContact CD2-CD2 4.01Å; L209-L267 HydrophobicContact CG-CD2 4.22Å; R212-L267 PolarHBondContact NH1-O 3.09Å; Q263-L267 PolarHBondContact O-N 2.62Å; I264-L267 PolarHBondContact O-N 3.24Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-L267 PolarHBondContact O-N 2.96Å; L267-M270 HydrophobicContact CD2-SD 4.02Å; L267-K285 HydrophobicContact CD2-CD 4.08Å; L267-K285 HydrophobicContact CD2-CG 4.37Å
268V97.7Very high96Very high0 Ų032.5 Ų32.50%018%0.18CC..Hα-helixtrans-73.4-36.7177.5171.10000111.5L208 R212 W222 I230 I264 L265 S266 F352 V367L208-V268 HydrophobicContact CD1-CG2 4.06Å; L208-V268 HydrophobicContact CD2-CG2 4.21Å; R212-V268 PolarHBondContact NE-O 2.88Å; R212-V268 PolarHBondContact NH1-O 3.36Å; R212-V268 PolarHBondContact NH2-O 2.83Å; W222-V268 HydrophobicContact CZ2-CG1 4.17Å; W222-V268 PolarHBondContact NE1-O 3.34Å; I230-V268 HydrophobicContact CD1-CG1 3.66Å; I230-V268 HydrophobicContact CG2-CG1 4.02Å; I264-V268 HydrophobicContact CG2-CG2 4.14Å; I264-V268 VanDerWaalsContact O-CG2 3.27Å; I264-V268 WeakPolarHBondContact O-CG2 3.4Å; I264-V268 PolarHBondContact O-N 2.87Å; L265-V268 PolarHBondContact O-N 2.97Å; S266-V268 PolarHBondContact O-N 3.41Å; V268-F352 HydrophobicContact CG1-CE1 4.15Å; V268-V367 HydrophobicContact CG2-CG1 3.78Å; V268-V367 HydrophobicContact CG2-CG2 4.22Å
269A98Very high95.9Very high1 Ų135.4 Ų35.41%0.00820%0.196CC..Hα-helixtrans-95-21.1-171.800000114.7L265 S266 V288 V342 W347 F352L265-A269 HydrophobicContact CD2-CB 4.45Å; L265-A269 VanDerWaalsContact O-CB 3.3Å; L265-A269 WeakPolarHBondContact O-CB 3.48Å; L265-A269 PolarHBondContact O-N 3.37Å; S266-A269 PolarHBondContact O-N 3.27Å; A269-V288 HydrophobicContact CB-CG1 3.66Å; A269-V288 HydrophobicContact CB-CG2 4.05Å; A269-V342 HydrophobicContact CB-CG2 4.23Å; A269-W347 HydrophobicContact CB-CZ2 4.48Å; A269-W347 PolarHBondContact O-NE1 3.18Å; A269-F352 HydrophobicContact CB-CE1 3.93Å; A269-F352 HydrophobicContact CB-CZ 3.78Å
270M97.4Very high96.1Very high0 Ų036.9 Ų36.90%020%0.204CC..PPolyproline II helixtrans-57.2150-174.764.2-178.8-59.400113.2L209 R212 F213 S266 L267 P273 I281 E284 K285 V288L209-M270 HydrophobicContact CD2-CE 4.34Å; L209-M270 HydrophobicContact CD2-SD 3.52Å; L209-M270 VanDerWaalsContact CD2-SD 3.52Å; R212-M270 VanDerWaalsContact CZ-O 3.27Å; R212-M270 VanDerWaalsContact NH1-CG 3.31Å; R212-M270 PolarHBondContact NH1-O 3.29Å; R212-M270 PolarHBondContact NH2-O 3.1Å; F213-M270 HydrophobicContact CE2-CG 4.5Å; F213-M270 HydrophobicContact CZ-CG 4.37Å; S266-M270 WeakPolarHBondContact O-CB 3.49Å; S266-M270 WeakPolarHBondContact O-CG 3.4Å; S266-M270 PolarHBondContact O-N 3.39Å; L267-M270 HydrophobicContact CD2-SD 4.02Å; M270-P273 HydrophobicContact CE-CB 4.4Å; M270-P273 HydrophobicContact CE-CG 4.39Å; M270-I281 HydrophobicContact CE-CG2 4.05Å; M270-I281 WeakPolarHBondContact CE-O 3.32Å; M270-E284 HydrophobicContact CB-CB 4.1Å; M270-E284 HydrophobicContact CE-CB 3.5Å; M270-E284 VanDerWaalsContact CE-CB 3.5Å; M270-K285 HydrophobicContact CE-CG 4.44Å; M270-K285 HydrophobicContact SD-CG 4.13Å; M270-V288 HydrophobicContact CB-CG2 4.13Å
271E97.2Very high96.2Very high53 Ų5337.2 Ų37.225%0.24821%0.206CC..PPolyproline II helixtrans-70.9171.9169-64.2-61145.900110.8F213 P273 E284 R346F213-E271 WeakPolarHBondContact CZ-O 3.4Å; E271-P273 WeakPolarHBondContact O-CD 3.36Å; E271-E284 WeakPolarHBondContact CB-OE2 3.42Å; E271-R346 VanDerWaalsContact CD-NE 3.28Å; E271-R346 WeakPolarHBondContact OE1-CD 3.38Å; E271-R346 IonicContact OE1-CZ 3.16Å; E271-R346 IonicContact OE1-NE 3.87Å; E271-R346 PolarHBondContact OE1-NE 3.03Å; E271-R346 IonicContact OE1-NH2 2.78Å; E271-R346 IonicContact OE2-CZ 2.76Å; E271-R346 VanDerWaalsContact OE2-CZ 3.28Å; E271-R346 IonicContact OE2-NE 3.77Å; E271-R346 PolarHBondContact OE2-NE 2.89Å; E271-R346 IonicContact OE2-NH2 2.74Å; E271-R346 PolarHBondContact OE2-NH2 2.83Å
272K96.1Very high96.1Very high149 Ų14937.3 Ų37.365%0.64821%0.206SC*.PPolyproline II helixtrans-64.5120.9173.1-175.8-179.7175.6-179.70108.5F213F213-K272 HydrophobicContact CD1-CB 3.85Å; F213-K272 HydrophobicContact CD1-CG 3.92Å; F213-K272 VanDerWaalsContact CE1-CA 3.44Å; F213-K272 HydrophobicContact CE1-CB 3.69Å; F213-K272 HydrophobicContact CE1-CG 4.23Å; F213-K272 HydrophobicContact CG-CG 4.33Å; F213-K272 HydrophobicContact CZ-CB 4.36Å
273P96.1Very high96.1Very high19 Ų1940.8 Ų40.812%0.12323%0.225CC..PPolyproline II helixtrans-67.3159.2178.531.1-36.6000110.8M270 E271 S275 D280 I281 E284M270-P273 HydrophobicContact CE-CB 4.4Å; M270-P273 HydrophobicContact CE-CG 4.39Å; E271-P273 WeakPolarHBondContact O-CD 3.36Å; P273-S275 VanDerWaalsContact C-N 3.27Å; P273-S275 WeakPolarHBondContact CB-O 3.41Å; P273-S275 WeakPolarHBondContact CG-O 3.39Å; P273-S275 PolarHBondContact O-N 3.2Å; P273-D280 HydrophobicContact CB-CB 4.37Å; P273-I281 HydrophobicContact CB-CG1 4.16Å; P273-I281 HydrophobicContact CG-CG1 4.05Å; P273-E284 HydrophobicContact CB-CG 4.35Å
274V95.5Very high96.2Very high130 Ų13041.9 Ų41.979%0.78823%0.23SC*.SBendtrans-63.2-37.3179.5-179.60000111D280V274-D280 HydrophobicContact CB-CB 4.45Å
275S94.5Very high96.2Very high38 Ų3841.8 Ų41.827%0.26623%0.229SC..SBendtrans-149.4-17317483.60000111.3P273 N277 D280P273-S275 VanDerWaalsContact C-N 3.27Å; P273-S275 WeakPolarHBondContact CB-O 3.41Å; P273-S275 WeakPolarHBondContact CG-O 3.39Å; P273-S275 PolarHBondContact O-N 3.2Å; S275-N277 VanDerWaalsContact C-N 3.29Å; S275-N277 VanDerWaalsContact OG-CB 3.27Å; S275-N277 WeakPolarHBondContact OG-CB 3.33Å; S275-N277 PolarHBondContact OG-N 2.91Å; S275-N277 PolarHBondContact OG-ND2 3.21Å; S275-N277 VanDerWaalsContact OG-ND2 3.07Å; S275-D280 VanDerWaalsContact CB-OD2 3.32Å; S275-D280 WeakPolarHBondContact CB-OD2 3.27Å; S275-D280 PolarHBondContact N-OD2 2.89Å; S275-D280 PolarHBondContact OG-OD2 3.24Å
276V91Very high96.2Very high129 Ų12941.9 Ų41.978%0.78223%0.23SC*.SBendtrans-88.35.6172.8-62.60000113.1
277N92.8Very high96.2Very high105 Ų10548.8 Ų48.856%0.56126%0.256SS*.SBendtrans-59.5143.9172.7-69.5-29.3000110.4S275 D279 D280 I281S275-N277 VanDerWaalsContact C-N 3.29Å; S275-N277 VanDerWaalsContact OG-CB 3.27Å; S275-N277 WeakPolarHBondContact OG-CB 3.33Å; S275-N277 PolarHBondContact OG-N 2.91Å; S275-N277 PolarHBondContact OG-ND2 3.21Å; S275-N277 VanDerWaalsContact OG-ND2 3.07Å; N277-D279 VanDerWaalsContact C-N 3.3Å; N277-D279 PolarHBondContact O-N 2.91Å; N277-D280 HydrophobicContact CB-CB 4.48Å; N277-D280 PolarHBondContact O-N 3.5Å; N277-I281 PolarHBondContact O-N 3.23Å
278A92.8Very high96.2Very high21 Ų2148.7 Ų48.717%0.17426%0.256CS..Hα-helixtrans-54.4-45.6-175.800000112.2I281 R282 Q449 T450A278-I281 PolarHBondContact O-N 3.26Å; A278-R282 VanDerWaalsContact O-CG 3.24Å; A278-R282 WeakPolarHBondContact O-CG 3.36Å; A278-R282 PolarHBondContact O-N 3.45Å; A278-Q449 HydrophobicContact CB-CB 4.3Å; A278-T450 WeakPolarHBondContact CA-OG1 3.08Å; A278-T450 WeakPolarHBondContact CB-OG1 3.46Å
279D94.3Very high96.3Very high66 Ų6648.7 Ų48.735%0.35326%0.256SS..Hα-helixtrans-70.8-37-179.2-80.6-49000114.3N277 I281 R282 D283 R454N277-D279 VanDerWaalsContact C-N 3.3Å; N277-D279 PolarHBondContact O-N 2.91Å; D279-I281 PolarHBondContact O-N 3.43Å; D279-R282 VanDerWaalsContact CG-NH2 3.29Å; D279-R282 PolarHBondContact O-N 3.3Å; D279-R282 VanDerWaalsContact O-N 3.13Å; D279-R282 IonicContact OD1-CZ 3.4Å; D279-R282 IonicContact OD1-NE 3.27Å; D279-R282 PolarHBondContact OD1-NE 3.16Å; D279-R282 VanDerWaalsContact OD1-NE 3.12Å; D279-R282 IonicContact OD1-NH2 3.27Å; D279-R282 PolarHBondContact OD1-NH2 2.86Å; D279-R282 IonicContact OD2-NH2 2.74Å; D279-R282 PolarHBondContact OD2-NH2 3.36Å; D279-D283 VanDerWaalsContact O-CB 3.32Å; D279-D283 WeakPolarHBondContact O-CB 3.47Å; D279-D283 PolarHBondContact O-N 2.7Å; D279-R454 IonicContact OD1-CZ 2.7Å; D279-R454 IonicContact OD1-NH1 3.91Å; D279-R454 PolarHBondContact OD1-NH1 2.6Å
280D96.3Very high96.3Very high41 Ų4156 Ų5622%0.21928%0.283CS..Hα-helixtrans-62-35.3176.3-67.2-24.2000111.4P273 V274 S275 N277P273-D280 HydrophobicContact CB-CB 4.37Å; V274-D280 HydrophobicContact CB-CB 4.45Å; S275-D280 VanDerWaalsContact CB-OD2 3.32Å; S275-D280 WeakPolarHBondContact CB-OD2 3.27Å; S275-D280 PolarHBondContact N-OD2 2.89Å; S275-D280 PolarHBondContact OG-OD2 3.24Å; N277-D280 HydrophobicContact CB-CB 4.48Å; N277-D280 PolarHBondContact O-N 3.5Å
281I96.4Very high96.3Very high10 Ų1057.7 Ų57.75%0.05130%0.295CS..Hα-helixtrans-70.7-46.7173.8-66.3168.9000110.5L209 M270 P273 N277 A278 D279 D283 E284 K285 T450L209-I281 HydrophobicContact CD1-CD1 4.18Å; L209-I281 HydrophobicContact CD1-CG2 4.3Å; M270-I281 HydrophobicContact CE-CG2 4.05Å; M270-I281 WeakPolarHBondContact CE-O 3.32Å; P273-I281 HydrophobicContact CB-CG1 4.16Å; P273-I281 HydrophobicContact CG-CG1 4.05Å; N277-I281 PolarHBondContact O-N 3.23Å; A278-I281 PolarHBondContact O-N 3.26Å; D279-I281 PolarHBondContact O-N 3.43Å; I281-D283 VanDerWaalsContact C-N 3.33Å; I281-D283 PolarHBondContact O-N 3.22Å; I281-E284 PolarHBondContact O-N 2.97Å; I281-K285 HydrophobicContact CG2-CD 4.26Å; I281-K285 WeakPolarHBondContact O-CG 3.43Å; I281-K285 PolarHBondContact O-N 3.11Å; I281-K285 VanDerWaalsContact O-N 3.1Å; I281-T450 HydrophobicContact CB-CG2 4.38Å; I281-T450 HydrophobicContact CD1-CG2 3.58Å; I281-T450 HydrophobicContact CG2-CG2 4.17Å
282R96.6Very high96.4Very high3 Ų355.3 Ų55.31%0.01128%0.284CS..Hα-helixtrans-65.2-35.5-179-69-175.7-52.5179.1-7112.2A278 D279 E284 K285 V286A278-R282 VanDerWaalsContact O-CG 3.24Å; A278-R282 WeakPolarHBondContact O-CG 3.36Å; A278-R282 PolarHBondContact O-N 3.45Å; D279-R282 VanDerWaalsContact CG-NH2 3.29Å; D279-R282 PolarHBondContact O-N 3.3Å; D279-R282 VanDerWaalsContact O-N 3.13Å; D279-R282 IonicContact OD1-CZ 3.4Å; D279-R282 IonicContact OD1-NE 3.27Å; D279-R282 PolarHBondContact OD1-NE 3.16Å; D279-R282 VanDerWaalsContact OD1-NE 3.12Å; D279-R282 IonicContact OD1-NH2 3.27Å; D279-R282 PolarHBondContact OD1-NH2 2.86Å; D279-R282 IonicContact OD2-NH2 2.74Å; D279-R282 PolarHBondContact OD2-NH2 3.36Å; R282-E284 PolarHBondContact O-N 3.48Å; R282-K285 WeakPolarHBondContact O-CB 3.43Å; R282-K285 PolarHBondContact O-N 2.93Å; R282-V286 VanDerWaalsContact O-CG2 3.3Å; R282-V286 WeakPolarHBondContact O-CG2 3.34Å; R282-V286 PolarHBondContact O-N 3.1Å
283D98Very high96.4Very high76 Ų7653.6 Ų53.641%0.40628%0.278SS..Hα-helixtrans-60.9-45.4176-77.8-4.8000111.5D279 I281 V286 R287 R454D279-D283 VanDerWaalsContact O-CB 3.32Å; D279-D283 WeakPolarHBondContact O-CB 3.47Å; D279-D283 PolarHBondContact O-N 2.7Å; I281-D283 VanDerWaalsContact C-N 3.33Å; I281-D283 PolarHBondContact O-N 3.22Å; D283-V286 PolarHBondContact O-N 3.14Å; D283-R287 WeakPolarHBondContact O-CB 3.48Å; D283-R287 PolarHBondContact O-N 2.93Å; D283-R454 IonicContact OD1-CZ 2.67Å; D283-R454 IonicContact OD1-NH1 3.87Å; D283-R454 PolarHBondContact OD1-NH1 2.99Å; D283-R454 IonicContact OD1-NH2 2.71Å; D283-R454 PolarHBondContact OD1-NH2 3.46Å
284E97.8Very high96.5Very high25 Ų2555.2 Ų55.212%0.11729%0.289CS..Hα-helixtrans-70.9-32177.9-73.4-57.715300112.6M270 E271 P273 I281 R282 R287 V288M270-E284 HydrophobicContact CB-CB 4.1Å; M270-E284 HydrophobicContact CE-CB 3.5Å; M270-E284 VanDerWaalsContact CE-CB 3.5Å; E271-E284 WeakPolarHBondContact CB-OE2 3.42Å; P273-E284 HydrophobicContact CB-CG 4.35Å; I281-E284 PolarHBondContact O-N 2.97Å; R282-E284 PolarHBondContact O-N 3.48Å; E284-R287 IonicContact OE1-NH1 3.31Å; E284-R287 PolarHBondContact OE1-NH1 2.87Å; E284-R287 WeakPolarHBondContact OE2-CD 3.34Å; E284-R287 IonicContact OE2-NH1 3.05Å; E284-V288 PolarHBondContact O-N 3.47Å
285K97.9Very high96.6Very high1 Ų149.4 Ų49.40%0.00425%0.253CS..Hα-helixtrans-61.4-49.7169.2-67.9171.174.3-1530111S266 L267 M270 I281 R282 R287 V288 L289 E457S266-K285 WeakPolarHBondContact OG-CE 3.36Å; L267-K285 HydrophobicContact CD2-CD 4.08Å; L267-K285 HydrophobicContact CD2-CG 4.37Å; M270-K285 HydrophobicContact CE-CG 4.44Å; M270-K285 HydrophobicContact SD-CG 4.13Å; I281-K285 HydrophobicContact CG2-CD 4.26Å; I281-K285 WeakPolarHBondContact O-CG 3.43Å; I281-K285 PolarHBondContact O-N 3.11Å; I281-K285 VanDerWaalsContact O-N 3.1Å; R282-K285 WeakPolarHBondContact O-CB 3.43Å; R282-K285 PolarHBondContact O-N 2.93Å; K285-R287 VanDerWaalsContact C-N 3.34Å; K285-R287 PolarHBondContact O-N 2.95Å; K285-V288 WeakPolarHBondContact O-CB 3.26Å; K285-V288 PolarHBondContact O-N 3.39Å; K285-L289 WeakPolarHBondContact O-CG 3.36Å; K285-L289 PolarHBondContact O-N 3.16Å; K285-E457 WeakPolarHBondContact CE-OE1 3.37Å; K285-E457 IonicContact NZ-OE1 3.93Å; K285-E457 PolarHBondContact NZ-OE1 3.06Å; K285-E457 IonicContact NZ-OE2 3.66Å; K285-E457 PolarHBondContact NZ-OE2 2.85Å
286V98.2Very high96.7Very high2 Ų250.9 Ų50.91%0.01226%0.261CS..Hα-helixtrans-64.3-38.9-179.9172.10000111.3R282 D283 V288 L289 R290 D456 E457R282-V286 VanDerWaalsContact O-CG2 3.3Å; R282-V286 WeakPolarHBondContact O-CG2 3.34Å; R282-V286 PolarHBondContact O-N 3.1Å; D283-V286 PolarHBondContact O-N 3.14Å; V286-V288 VanDerWaalsContact C-N 3.29Å; V286-V288 PolarHBondContact O-N 3.09Å; V286-L289 PolarHBondContact O-N 2.69Å; V286-L289 VanDerWaalsContact O-N 3.12Å; V286-R290 HydrophobicContact CG1-CG 4.25Å; V286-R290 WeakPolarHBondContact O-CG 3.24Å; V286-R290 PolarHBondContact O-N 2.88Å; V286-D456 HydrophobicContact CG1-CB 4.43Å; V286-E457 HydrophobicContact CG2-CB 3.83Å
287R98.2Very high96.9Very high145 Ų14547.2 Ų47.255%0.54724%0.236SC..Hα-helixtrans-57.1-41.8176.2-173.6-176.4-178.2175-0.6112.2D283 E284 K285 S291D283-R287 WeakPolarHBondContact O-CB 3.48Å; D283-R287 PolarHBondContact O-N 2.93Å; E284-R287 IonicContact OE1-NH1 3.31Å; E284-R287 PolarHBondContact OE1-NH1 2.87Å; E284-R287 WeakPolarHBondContact OE2-CD 3.34Å; E284-R287 IonicContact OE2-NH1 3.05Å; K285-R287 VanDerWaalsContact C-N 3.34Å; K285-R287 PolarHBondContact O-N 2.95Å; R287-S291 PolarHBondContact O-N 3.06Å; R287-S291 PolarHBondContact O-OG 3.03Å
288V98.2Very high97.1Very high9 Ų948.2 Ų48.26%0.05524%0.241CC..Hα-helixtrans-61.7-51173167.90000110.9L265 A269 M270 E284 K285 V286 R290 S291 I292 V342L265-V288 HydrophobicContact CD2-CG1 3.95Å; A269-V288 HydrophobicContact CB-CG1 3.66Å; A269-V288 HydrophobicContact CB-CG2 4.05Å; M270-V288 HydrophobicContact CB-CG2 4.13Å; E284-V288 PolarHBondContact O-N 3.47Å; K285-V288 WeakPolarHBondContact O-CB 3.26Å; K285-V288 PolarHBondContact O-N 3.39Å; V286-V288 VanDerWaalsContact C-N 3.29Å; V286-V288 PolarHBondContact O-N 3.09Å; V288-R290 VanDerWaalsContact C-N 3.31Å; V288-R290 PolarHBondContact O-N 2.94Å; V288-S291 CarbonylContact O-C 3.49Å; V288-S291 WeakPolarHBondContact O-CA 3.5Å; V288-S291 VanDerWaalsContact O-CB 3.28Å; V288-S291 WeakPolarHBondContact O-CB 3.37Å; V288-S291 PolarHBondContact O-N 3.48Å; V288-I292 HydrophobicContact CG1-CD1 4.22Å; V288-I292 PolarHBondContact O-N 3.02Å; V288-V342 HydrophobicContact CG1-CG1 4.12Å; V288-V342 HydrophobicContact CG1-CG2 4.14Å
289L98.4Very high97.3Very high0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-62.8-38.7-174.9-61.4177.5000112.1I262 K285 V286 S291 I292 E457 E460 R463 I464I262-L289 HydrophobicContact CG2-CD1 4.31Å; I262-L289 HydrophobicContact CG2-CD2 3.62Å; K285-L289 WeakPolarHBondContact O-CG 3.36Å; K285-L289 PolarHBondContact O-N 3.16Å; V286-L289 PolarHBondContact O-N 2.69Å; V286-L289 VanDerWaalsContact O-N 3.12Å; L289-S291 PolarHBondContact O-N 2.89Å; L289-I292 HydrophobicContact CD2-CD1 4.11Å; L289-I292 PolarHBondContact O-N 3.33Å; L289-I292 VanDerWaalsContact O-N 3.07Å; L289-E457 HydrophobicContact CD1-CG 3.7Å; L289-E460 HydrophobicContact CB-CB 3.58Å; L289-E460 HydrophobicContact CB-CG 4.31Å; L289-E460 HydrophobicContact CD1-CB 4.33Å; L289-R463 PolarHBondContact O-NH2 2.81Å; L289-I464 HydrophobicContact CB-CD1 4.31Å; L289-I464 HydrophobicContact CD2-CD1 4.19Å
290R98.3Very high97.5Very high154 Ų15446.7 Ų46.758%0.58123%0.23SC*.Hα-helixtrans-59.2-27.3171-74-179.8177.7166.96.5113.4V286 V288 I292 E460V286-R290 HydrophobicContact CG1-CG 4.25Å; V286-R290 WeakPolarHBondContact O-CG 3.24Å; V286-R290 PolarHBondContact O-N 2.88Å; V288-R290 VanDerWaalsContact C-N 3.31Å; V288-R290 PolarHBondContact O-N 2.94Å; R290-I292 VanDerWaalsContact C-N 3.29Å; R290-E460 WeakPolarHBondContact CA-OE2 3.01Å; R290-E460 VanDerWaalsContact CG-CD 3.49Å; R290-E460 HydrophobicContact CG-CG 3.79Å
291S98Very high97.6Very high35 Ų3545.5 Ų45.525%0.24522%0.224CC..THydrogen-bonded Turntrans-86.32179.6-53.10000113.2R287 V288 L289 K343R287-S291 PolarHBondContact O-N 3.06Å; R287-S291 PolarHBondContact O-OG 3.03Å; V288-S291 CarbonylContact O-C 3.49Å; V288-S291 WeakPolarHBondContact O-CA 3.5Å; V288-S291 VanDerWaalsContact O-CB 3.28Å; V288-S291 WeakPolarHBondContact O-CB 3.37Å; V288-S291 PolarHBondContact O-N 3.48Å; L289-S291 PolarHBondContact O-N 2.89Å; S291-K343 VanDerWaalsContact O-CB 3.28Å; S291-K343 WeakPolarHBondContact O-CB 3.49Å; S291-K343 PolarHBondContact O-N 3.04Å
292I98.3Very high97.7Very high3 Ų345.4 Ų45.42%0.01522%0.224CC..BIsolated β-bridgetrans-101.6127.1177.8-60.7168.7000109.2L265 V288 L289 R290 L340 V342 R463 I464L265-I292 HydrophobicContact CD1-CD1 4.46Å; L265-I292 HydrophobicContact CD2-CD1 3.49Å; L265-I292 VanDerWaalsContact CD2-CD1 3.49Å; V288-I292 HydrophobicContact CG1-CD1 4.22Å; V288-I292 PolarHBondContact O-N 3.02Å; L289-I292 HydrophobicContact CD2-CD1 4.11Å; L289-I292 PolarHBondContact O-N 3.33Å; L289-I292 VanDerWaalsContact O-N 3.07Å; R290-I292 VanDerWaalsContact C-N 3.29Å; I292-L340 HydrophobicContact CG2-CB 4.34Å; I292-L340 HydrophobicContact CG2-CD1 4.45Å; I292-L340 HydrophobicContact CG2-CD2 4.04Å; I292-V342 HydrophobicContact CD1-CG2 4.09Å; I292-V342 HydrophobicContact CG1-CB 4.48Å; I292-V342 HydrophobicContact CG1-CG2 3.89Å; I292-R463 PolarHBondContact O-NH1 3.25Å; I292-R463 PolarHBondContact O-NH2 3.08Å; I292-I464 HydrophobicContact CB-CD1 3.77Å; I292-I464 HydrophobicContact CB-CG1 4.1Å; I292-I464 HydrophobicContact CD1-CD1 4.11Å; I292-I464 HydrophobicContact CG2-CD1 3.89Å; I292-I464 HydrophobicContact CG2-CG1 3.96Å; I292-I464 HydrophobicContact CG2-CG2 3.95Å
293E96.8Very high97.8Very high113 Ų11345.3 Ų45.353%0.52822%0.224SC..PPolyproline II helixtrans-72.8155.2172.6-77.5-171146.800111.8L295 K343E293-L295 PolarHBondContact O-N 2.8Å; E293-K343 HydrophobicContact CG-CD 4.21Å; E293-K343 IonicContact OE1-NZ 3.29Å; E293-K343 PolarHBondContact OE1-NZ 2.81Å; E293-K343 WeakPolarHBondContact OE2-CE 3.37Å; E293-K343 IonicContact OE2-NZ 3.71Å; E293-K343 PolarHBondContact OE2-NZ 2.83Å
294P98Very high97.8Very high54 Ų5442.9 Ų42.935%0.35121%0.21SC..PPolyproline II helixtrans-54.4137.2173.2-23.534.4000112.4I464 P467P294-I464 WeakPolarHBondContact CA-O 3.38Å; P294-P467 HydrophobicContact CB-CB 4.4Å; P294-P467 HydrophobicContact CB-CG 3.89Å
295L97.6Very high97.8Very high8 Ų842.2 Ų42.24%0.04221%0.206CC..PPolyproline II helixtrans-65.5134.4177.1-177.859.2000109.8E293 D299 I300 A338 L340 I464 L465 V468E293-L295 PolarHBondContact O-N 2.8Å; L295-D299 HydrophobicContact CD1-CB 3.98Å; L295-I300 HydrophobicContact CD2-CB 4.45Å; L295-I300 HydrophobicContact CD2-CD1 3.97Å; L295-I300 HydrophobicContact CD2-CG1 4.4Å; L295-A338 HydrophobicContact CD1-CB 4.24Å; L295-A338 HydrophobicContact CD2-CB 3.63Å; L295-L340 HydrophobicContact CB-CD2 4.01Å; L295-L340 HydrophobicContact CD1-CD2 3.88Å; L295-L340 HydrophobicContact CG-CD2 4.38Å; L295-I464 PolarHBondContact N-O 2.66Å; L295-L465 HydrophobicContact CB-CD2 4.48Å; L295-L465 HydrophobicContact CD2-CD2 3.98Å; L295-V468 HydrophobicContact CB-CB 4.48Å; L295-V468 HydrophobicContact CB-CG1 4.2Å; L295-V468 HydrophobicContact CD2-CG1 3.98Å; L295-V468 HydrophobicContact CG-CB 4.45Å; L295-V468 HydrophobicContact CG-CG1 4.18Å
296T96Very high97.7Very high68 Ų6844.5 Ų44.542%0.41722%0.22SC..  trans-107.5161179.347.60000111.4D298 D299T296-D298 PolarHBondContact O-N 2.95Å; T296-D299 PolarHBondContact O-N 2.74Å; T296-D299 PolarHBondContact OG1-OD2 2.64Å
297I96.8Very high97.6Very high52 Ų5245.7 Ų45.727%0.26723%0.231SC..G310 helixtrans-62.5-27.3-179.1-166.764.3000113.1D299 I300 Y471 L472I297-D299 VanDerWaalsContact C-N 3.26Å; I297-D299 PolarHBondContact O-N 3.21Å; I297-I300 HydrophobicContact CD1-CG2 3.88Å; I297-I300 WeakPolarHBondContact O-CG2 3.37Å; I297-Y471 HydrophobicContact CB-CD1 4.07Å; I297-Y471 HydrophobicContact CB-CE1 3.94Å; I297-Y471 HydrophobicContact CD1-CD1 3.82Å; I297-Y471 HydrophobicContact CD1-CE1 3.9Å; I297-Y471 HydrophobicContact CG1-CD1 3.93Å; I297-Y471 HydrophobicContact CG1-CE1 3.59Å; I297-Y471 HydrophobicContact CG2-CE1 4.21Å; I297-L472 HydrophobicContact CD1-CD2 3.69Å
298D96.2Very high97.5Very high126 Ų12640.8 Ų40.867%0.67422%0.215SC*.G310 helixtrans-72.4-18.7-179.7-63.9-39.3000113.8T296T296-D298 PolarHBondContact O-N 2.95Å
299D97.2Very high97.2Very high41 Ų4145.5 Ų45.522%0.21925%0.246CC..G310 helixtrans-110.117.3-176.3-67.5-53.5000112.1L295 T296 I297 A338 V339L295-D299 HydrophobicContact CD1-CB 3.98Å; T296-D299 PolarHBondContact O-N 2.74Å; T296-D299 PolarHBondContact OG1-OD2 2.64Å; I297-D299 VanDerWaalsContact C-N 3.26Å; I297-D299 PolarHBondContact O-N 3.21Å; D299-A338 CarbonylContact O-C 3.42Å; D299-A338 WeakPolarHBondContact O-CA 3.44Å; D299-V339 HydrophobicContact CB-CB 4.4Å; D299-V339 PolarHBondContact O-N 3.35Å
300I97.9Very high97Very high14 Ų1452 Ų527%0.07228%0.28CS..EExtended strand (participates in β ladder)trans-132.6138.9178-160.8177.9000111.6I253 L295 I297 I302 V336 C337 A338 V468I253-I300 HydrophobicContact CD1-CD1 3.88Å; L295-I300 HydrophobicContact CD2-CB 4.45Å; L295-I300 HydrophobicContact CD2-CD1 3.97Å; L295-I300 HydrophobicContact CD2-CG1 4.4Å; I297-I300 HydrophobicContact CD1-CG2 3.88Å; I297-I300 WeakPolarHBondContact O-CG2 3.37Å; I300-I302 HydrophobicContact CD1-CG2 4.04Å; I300-I302 HydrophobicContact CG1-CG2 4.23Å; I300-V336 HydrophobicContact CD1-CG2 3.67Å; I300-V336 HydrophobicContact CG1-CG2 3.65Å; I300-C337 CarbonylContact C-O 3.5Å; I300-C337 WeakPolarHBondContact CA-O 3.48Å; I300-A338 HydrophobicContact CG1-CB 4.23Å; I300-V468 HydrophobicContact CD1-CG1 4.46Å; I300-V468 HydrophobicContact CD1-CG2 4.1Å; I300-V468 HydrophobicContact CG2-CG2 3.95Å
301V98.4Very high96.5Very high16 Ų1645.9 Ų45.910%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-119.7126.4165.3170.40000107.7V336 C337 Y480 P490 E492 A493 L496V301-V336 CarbonylContact O-C 3.45Å; V301-V336 WeakPolarHBondContact O-CA 3.41Å; V301-C337 HydrophobicContact CB-CB 4.43Å; V301-C337 PolarHBondContact N-O 3.29Å; V301-C337 PolarHBondContact O-N 2.96Å; V301-Y480 HydrophobicContact CG1-CD2 4.05Å; V301-Y480 HydrophobicContact CG1-CE2 4.48Å; V301-P490 HydrophobicContact CG1-CG 3.92Å; V301-E492 HydrophobicContact CG1-CB 3.79Å; V301-E492 HydrophobicContact CG2-CB 4.11Å; V301-A493 HydrophobicContact CG1-CB 4.2Å; V301-L496 HydrophobicContact CB-CD2 4.32Å; V301-L496 HydrophobicContact CG2-CB 4.04Å; V301-L496 HydrophobicContact CG2-CD2 3.84Å
302I98.5Very high95.9Very high9 Ų951 Ų515%0.04629%0.293CS..EExtended strand (participates in β ladder)trans-111145.9175.553.9159.6000111.1I253 I300 P333 Y335 V336 L472 V477 P479 Y480I253-I302 HydrophobicContact CD1-CG2 4.34Å; I300-I302 HydrophobicContact CD1-CG2 4.04Å; I300-I302 HydrophobicContact CG1-CG2 4.23Å; I302-P333 HydrophobicContact CB-CB 3.91Å; I302-P333 HydrophobicContact CG2-CB 4.07Å; I302-Y335 WeakPolarHBondContact CA-O 3.46Å; I302-V336 HydrophobicContact CG2-CG2 4.3Å; I302-L472 HydrophobicContact CD1-CD1 4.48Å; I302-L472 HydrophobicContact CD1-CD2 3.73Å; I302-L472 HydrophobicContact CG1-CD2 4.46Å; I302-L472 HydrophobicContact CG2-CD1 4.25Å; I302-V477 HydrophobicContact CD1-CG1 4.2Å; I302-P479 HydrophobicContact CD1-CB 4.16Å; I302-P479 HydrophobicContact CG1-CB 4.34Å; I302-Y480 WeakPolarHBondContact O-CD2 3.48Å; I302-Y480 PolarHBondContact O-N 3Å
303G98.3Very high95.4Very high0 Ų054.6 Ų54.60%031%0.312CS..EExtended strand (participates in β ladder)trans-137.6160.2179.400000113.5P333 T334 Y335 Y480G303-P333 CarbonylContact O-C 3.56Å; G303-P333 WeakPolarHBondContact O-CA 3.44Å; G303-T334 PolarHBondContact O-N 3.03Å; G303-Y335 PolarHBondContact N-O 2.99Å; G303-Y335 PolarHBondContact O-N 3.5Å; G303-Y480 CarbonylContact C-O 3.56Å; G303-Y480 WeakPolarHBondContact CA-O 3.24Å
304Q98.4Very high94.9Very high26 Ų2653.9 Ų53.912%0.12132%0.318CS..EExtended strand (participates in β ladder)trans-133.3130.5174.7-170.6-178.587.400109.8Y320 S330 T332 T334 P479 Y480 P481 Y482Q304-Y320 HydrophobicContact CG-CD1 3.84Å; Q304-Y320 HydrophobicContact CG-CG 4.15Å; Q304-S330 PolarHBondContact NE2-O 2.92Å; Q304-T332 PolarHBondContact NE2-O 2.93Å; Q304-T334 VanDerWaalsContact CA-OG1 3.29Å; Q304-T334 WeakPolarHBondContact CA-OG1 3.45Å; Q304-T334 HydrophobicContact CG-CG2 4.24Å; Q304-P479 HydrophobicContact CB-CB 3.87Å; Q304-P479 HydrophobicContact CB-CG 3.56Å; Q304-P479 HydrophobicContact CG-CG 4.48Å; Q304-Y480 PolarHBondContact N-O 2.96Å; Q304-P481 WeakPolarHBondContact O-CA 3.44Å; Q304-Y482 WeakPolarHBondContact O-CD1 3.35Å; Q304-Y482 PolarHBondContact O-N 3.03Å; Q304-Y482 VanDerWaalsContact O-N 3.11Å
305Y97.7Very high94.5Very high10 Ų1053.8 Ų53.84%0.03932%0.317CS..EExtended strand (participates in β ladder)trans-73.8141.8-176.270-97.2000112T240 Y320 T334 A359 Y482 Y484T240-Y305 PolarHBondContact N-OH 2.95Å; T240-Y305 PolarHBondContact OG1-OH 3.01Å; Y305-Y320 AromaticContact CE1-CD2 3.78Å; Y305-Y320 HydrophobicContact CE1-CD2 3.78Å; Y305-Y320 HydrophobicContact CE1-CG 4.18Å; Y305-Y320 AromaticContact CZ-CD2 3.89Å; Y305-Y320 PolarHBondContact O-N 2.8Å; Y305-Y320 VanDerWaalsContact O-N 3.11Å; Y305-T334 HydrophobicContact CD1-CG2 3.75Å; Y305-T334 WeakPolarHBondContact CD1-OG1 2.89Å; Y305-T334 HydrophobicContact CE1-CG2 3.79Å; Y305-T334 PolarHBondContact N-OG1 2.9Å; Y305-A359 HydrophobicContact CD1-CB 3.71Å; Y305-A359 HydrophobicContact CD2-CB 4.01Å; Y305-A359 HydrophobicContact CE1-CB 4.25Å; Y305-A359 HydrophobicContact CG-CB 3.59Å; Y305-Y482 CarbonylContact C-O 3.52Å; Y305-Y482 VanDerWaalsContact CA-O 3.24Å; Y305-Y482 WeakPolarHBondContact CA-O 3.21Å; Y305-Y482 VanDerWaalsContact N-CE1 3.3Å; Y305-Y484 AromaticContact CD2-CD2 3.94Å; Y305-Y484 HydrophobicContact CD2-CD2 3.94Å; Y305-Y484 HydrophobicContact CE2-CD2 4.17Å
306V97.2Very high94.2Very high49 Ų4953.6 Ų53.630%0.29732%0.316SS..EExtended strand (participates in β ladder)trans-117.9156.6173.2-60.90000110.2D308 P481 Y482 I483 Y484V306-D308 PolarHBondContact O-N 2.98Å; V306-P481 HydrophobicContact CG1-CB 3.99Å; V306-Y482 WeakPolarHBondContact CG2-O 3.34Å; V306-Y482 PolarHBondContact N-O 2.91Å; V306-I483 HydrophobicContact CG2-CG1 4.4Å; V306-Y484 PolarHBondContact O-N 3.01Å
307A96.1Very high94Very high28 Ų2853.2 Ų53.223%0.23132%0.317CS..  trans-51138.7177.100000111.9P309 S317 S319A307-P309 WeakPolarHBondContact O-CD 3.48Å; A307-S317 WeakPolarHBondContact CB-O 3.26Å; A307-S319 PolarHBondContact N-OG 2.67Å
308D95.8Very high93.9Very high42 Ų4255 Ų5523%0.22533%0.326CS..  trans-79.9114.8165.9173.313.8000109V306 N310 A311 A316 I483V306-D308 PolarHBondContact O-N 2.98Å; D308-N310 PolarHBondContact O-N 2.92Å; D308-N310 VanDerWaalsContact O-N 3.09Å; D308-N310 PolarHBondContact OD1-N 3.44Å; D308-A311 HydrophobicContact CB-CB 4.05Å; D308-A311 VanDerWaalsContact O-CB 3.28Å; D308-A311 WeakPolarHBondContact O-CB 3.44Å; D308-A311 PolarHBondContact O-N 2.81Å; D308-A316 PolarHBondContact N-O 3.05Å; D308-I483 HydrophobicContact CB-CG2 3.6Å
309P91.5Very high93.9Very high107 Ų10750 Ų5070%0.69530%0.301SS*.THydrogen-bonded Turntrans-63.7-15.9-179.127.4-35.6000113.2A307A307-P309 WeakPolarHBondContact O-CD 3.48Å
310N93.1Very high93.9Very high136 Ų13648 Ų4873%0.72729%0.291SS*.THydrogen-bonded Turntrans-104.28.1178-54.1-61.7000112.8D308 T312D308-N310 PolarHBondContact O-N 2.92Å; D308-N310 VanDerWaalsContact O-N 3.09Å; D308-N310 PolarHBondContact OD1-N 3.44Å; N310-T312 PolarHBondContact O-N 2.66Å
311A88.5Confident93.8Very high26 Ų2648.9 Ų48.922%0.21530%0.296CS..  trans-61.9130.3-17800000111.8D308 A316D308-A311 HydrophobicContact CB-CB 4.05Å; D308-A311 VanDerWaalsContact O-CB 3.28Å; D308-A311 WeakPolarHBondContact O-CB 3.44Å; D308-A311 PolarHBondContact O-N 2.81Å; A311-A316 HydrophobicContact CB-CB 3.59Å
312T86.3Confident93.6Very high144 Ų14451.2 Ų51.288%0.88331%0.308SS*.  trans-94.3-17.9169.454.40000112.5N310N310-T312 PolarHBondContact O-N 2.66Å
313N87.1Confident93.3Very high77 Ų7751.5 Ų51.541%0.41231%0.31SS..SBendtrans-99.3141.8177.670.473.3000111.3P315 A316 S317N313-P315 WeakPolarHBondContact OD1-CD 3.39Å; N313-A316 PolarHBondContact O-N 3.01Å; N313-A316 WeakPolarHBondContact OD1-CB 3.36Å; N313-A316 PolarHBondContact OD1-N 3.48Å; N313-S317 PolarHBondContact O-N 2.97Å
314P87.2Confident93.1Very high99 Ų9957.7 Ų57.764%0.64335%0.35SS*.THydrogen-bonded Turntrans-60.3-39-174.8-22.231000115.9A316 S317P314-A316 VanDerWaalsContact C-N 3.33Å; P314-A316 PolarHBondContact O-N 3.18Å; P314-S317 PolarHBondContact O-N 3.48Å; P314-S317 PolarHBondContact O-OG 2.98Å
315P89.2Confident92.9Very high51 Ų5159 Ų5933%0.33136%0.362SS..G310 helixtrans-62.6-38.2178.5-25.935.8000113.3N313 S317 L318N313-P315 WeakPolarHBondContact OD1-CD 3.39Å; P315-S317 VanDerWaalsContact C-N 3.3Å; P315-S317 PolarHBondContact O-N 3.26Å; P315-L318 PolarHBondContact O-N 3.09Å
316A91.3Very high92.8Very high4 Ų458.9 Ų58.93%0.03336%0.363CS..G310 helixtrans-75.4-16.3-178.100000113.7D308 A311 N313 P314 L318 Y484D308-A316 PolarHBondContact N-O 3.05Å; A311-A316 HydrophobicContact CB-CB 3.59Å; N313-A316 PolarHBondContact O-N 3.01Å; N313-A316 WeakPolarHBondContact OD1-CB 3.36Å; N313-A316 PolarHBondContact OD1-N 3.48Å; P314-A316 VanDerWaalsContact C-N 3.33Å; P314-A316 PolarHBondContact O-N 3.18Å; A316-L318 PolarHBondContact O-N 3.42Å; A316-Y484 HydrophobicContact CB-CD1 3.46Å; A316-Y484 VanDerWaalsContact CB-CD1 3.46Å; A316-Y484 HydrophobicContact CB-CD2 4.44Å; A316-Y484 HydrophobicContact CB-CE1 3.8Å; A316-Y484 HydrophobicContact CB-CG 3.86Å
317S92.4Very high92.7Very high60 Ų6059.4 Ų59.442%0.4237%0.367SS..G310 helixtrans-83.64.8175.468.20000113.7A307 N313 P314 P315A307-S317 WeakPolarHBondContact CB-O 3.26Å; N313-S317 PolarHBondContact O-N 2.97Å; P314-S317 PolarHBondContact O-N 3.48Å; P314-S317 PolarHBondContact O-OG 2.98Å; P315-S317 VanDerWaalsContact C-N 3.3Å; P315-S317 PolarHBondContact O-N 3.26Å
318L93.6Very high92.7Very high89 Ų8964.8 Ų64.847%0.46639%0.385SS..  trans-116.4134.4179.5-62174000111.1P315 A316 D322P315-L318 PolarHBondContact O-N 3.09Å; A316-L318 PolarHBondContact O-N 3.42Å; L318-D322 HydrophobicContact CB-CB 4.19Å; L318-D322 HydrophobicContact CD2-CB 4.01Å
319S95.8Very high92.6Very high22 Ų2269.2 Ų69.215%0.15441%0.409CS..  trans-77.1166168.5-45.20000110.5A307 T321 D322A307-S319 PolarHBondContact N-OG 2.67Å; S319-T321 VanDerWaalsContact C-N 3.28Å; S319-T321 PolarHBondContact O-N 2.71Å; S319-D322 WeakPolarHBondContact CA-OD2 3.42Å; S319-D322 WeakPolarHBondContact CB-OD2 3.37Å; S319-D322 PolarHBondContact N-OD2 3.27Å; S319-D322 WeakPolarHBondContact O-CB 3.32Å; S319-D322 PolarHBondContact O-N 3.35Å; S319-D322 PolarHBondContact OG-OD2 2.8Å
320Y97Very high92.8Very high0 Ų064.7 Ų64.70%038%0.38CS..G310 helixtrans-57.3-43.4175.6178.9-115.4000112.5T240 G244 F247 D248 Q304 Y305 D322 D323 V326 T334T240-Y320 HydrophobicContact CG2-CD2 4.06Å; T240-Y320 HydrophobicContact CG2-CE2 3.61Å; G244-Y320 PolarHBondContact O-OH 3.44Å; F247-Y320 HydrophobicContact CD1-CE2 4.02Å; D248-Y320 VanDerWaalsContact CA-OH 3.26Å; D248-Y320 WeakPolarHBondContact CA-OH 3.41Å; D248-Y320 WeakPolarHBondContact CB-OH 3.3Å; D248-Y320 PolarHBondContact N-OH 3.46Å; D248-Y320 PolarHBondContact OD1-OH 3.22Å; Q304-Y320 HydrophobicContact CG-CD1 3.84Å; Q304-Y320 HydrophobicContact CG-CG 4.15Å; Y305-Y320 AromaticContact CE1-CD2 3.78Å; Y305-Y320 HydrophobicContact CE1-CD2 3.78Å; Y305-Y320 HydrophobicContact CE1-CG 4.18Å; Y305-Y320 AromaticContact CZ-CD2 3.89Å; Y305-Y320 PolarHBondContact O-N 2.8Å; Y305-Y320 VanDerWaalsContact O-N 3.11Å; Y320-D322 PolarHBondContact O-N 3.4Å; Y320-D323 WeakPolarHBondContact O-CB 3.35Å; Y320-D323 PolarHBondContact O-N 2.62Å; Y320-V326 HydrophobicContact CD1-CG1 4.01Å; Y320-V326 HydrophobicContact CE1-CG1 3.59Å; Y320-V326 HydrophobicContact CE1-CG2 4.37Å; Y320-V326 HydrophobicContact CE2-CG2 3.89Å; Y320-T334 HydrophobicContact CD1-CG2 4.09Å; Y320-T334 HydrophobicContact CD2-CG2 3.7Å; Y320-T334 HydrophobicContact CE1-CG2 4.41Å; Y320-T334 HydrophobicContact CE2-CG2 4.1Å; Y320-T334 HydrophobicContact CG-CG2 3.7Å
321T96.1Very high93Very high31 Ų3161.1 Ų61.119%0.1936%0.36CS..G310 helixtrans-74.3-5.1177.654.50000114.1S319 K328S319-T321 VanDerWaalsContact C-N 3.28Å; S319-T321 PolarHBondContact O-N 2.71Å; T321-K328 WeakPolarHBondContact O-CD 2.96Å; T321-K328 PolarHBondContact O-NZ 3.11Å
322D94.3Very high93.4Very high65 Ų6560.8 Ų60.835%0.34836%0.355SS..G310 helixtrans-82.8-17.6174.2-64.5-35.9000112L318 S319 Y320L318-D322 HydrophobicContact CB-CB 4.19Å; L318-D322 HydrophobicContact CD2-CB 4.01Å; S319-D322 WeakPolarHBondContact CA-OD2 3.42Å; S319-D322 WeakPolarHBondContact CB-OD2 3.37Å; S319-D322 PolarHBondContact N-OD2 3.27Å; S319-D322 WeakPolarHBondContact O-CB 3.32Å; S319-D322 PolarHBondContact O-N 3.35Å; S319-D322 PolarHBondContact OG-OD2 2.8Å; Y320-D322 PolarHBondContact O-N 3.4Å
323D92.6Very high94Very high15 Ų1554.8 Ų54.88%0.0832%0.319CS..SBendtrans-60.9121.5169.3-175.1-31.1000109.3T240 G242 G244 Y320 S325 V326T240-D323 PolarHBondContact OG1-OD2 2.87Å; G242-D323 WeakPolarHBondContact CA-OD2 3.48Å; G244-D323 VanDerWaalsContact CA-OD2 3.3Å; G244-D323 WeakPolarHBondContact CA-OD2 3.4Å; G244-D323 PolarHBondContact N-OD2 3.44Å; Y320-D323 WeakPolarHBondContact O-CB 3.35Å; Y320-D323 PolarHBondContact O-N 2.62Å; D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 PolarHBondContact O-N 2.85Å; D323-S325 VanDerWaalsContact O-N 3.1Å; D323-S325 WeakPolarHBondContact OD1-CB 3.37Å; D323-S325 PolarHBondContact OD1-N 3.1Å; D323-S325 PolarHBondContact OD1-OG 3.49Å; D323-S325 PolarHBondContact OD2-OG 3.01Å; D323-V326 HydrophobicContact CB-CB 4.32Å; D323-V326 HydrophobicContact CB-CG2 3.78Å; D323-V326 PolarHBondContact O-N 3.27Å
324P93.1Very high94.5Very high130 Ų13051.1 Ų51.184%0.84430%0.299SS*.THydrogen-bonded Turntrans-65.1-16-176.226.9-35.4000113.5V326P324-V326 VanDerWaalsContact C-N 3.34Å
325S94.3Very high95Very high54 Ų5446.6 Ų46.638%0.37827%0.27SS..THydrogen-bonded Turntrans-84.1-7.1174.769.30000113.8G244 G245 D323G244-S325 PolarHBondContact N-OG 3.11Å; G245-S325 WeakPolarHBondContact CA-O 3.37Å; G245-S325 PolarHBondContact N-OG 3.04Å; D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 PolarHBondContact O-N 2.85Å; D323-S325 VanDerWaalsContact O-N 3.1Å; D323-S325 WeakPolarHBondContact OD1-CB 3.37Å; D323-S325 PolarHBondContact OD1-N 3.1Å; D323-S325 PolarHBondContact OD1-OG 3.49Å; D323-S325 PolarHBondContact OD2-OG 3.01Å
326V96.2Very high95.5Very high8 Ų844.2 Ų44.25%0.04825%0.254CS..SBendtrans-102.1133.3-178179.20000110.1G244 Y320 D323 P324 K328G244-V326 VanDerWaalsContact C-CG2 3.41Å; G244-V326 VanDerWaalsContact CA-CG2 3.43Å; Y320-V326 HydrophobicContact CD1-CG1 4.01Å; Y320-V326 HydrophobicContact CE1-CG1 3.59Å; Y320-V326 HydrophobicContact CE1-CG2 4.37Å; Y320-V326 HydrophobicContact CE2-CG2 3.89Å; D323-V326 HydrophobicContact CB-CB 4.32Å; D323-V326 HydrophobicContact CB-CG2 3.78Å; D323-V326 PolarHBondContact O-N 3.27Å; P324-V326 VanDerWaalsContact C-N 3.34Å; V326-K328 PolarHBondContact O-N 3.34Å
327P95.6Very high95.8Very high59 Ų5944 Ų4438%0.38325%0.253SS..  trans-56.4137171.1-23.834.1000111.9D248 D329 S330D248-P327 VanDerWaalsContact OD2-CD 3.29Å; D248-P327 WeakPolarHBondContact OD2-CD 3.3Å; P327-D329 PolarHBondContact O-N 3.02Å; P327-S330 WeakPolarHBondContact O-CB 3.41Å; P327-S330 PolarHBondContact O-N 2.75Å
328K95.1Very high96.1Very high142 Ų14241.3 Ų41.362%0.61723%0.233SC*.THydrogen-bonded Turntrans-64.6-22.1-176.4-68.2-64.2178.4-170.50113.9T321 V326T321-K328 WeakPolarHBondContact O-CD 2.96Å; T321-K328 PolarHBondContact O-NZ 3.11Å; V326-K328 PolarHBondContact O-N 3.34Å
329D94.4Very high96.3Very high135 Ų13537.2 Ų37.272%0.72221%0.212SC*.THydrogen-bonded Turntrans-100.313.317665-32.5000113P327 I331P327-D329 PolarHBondContact O-N 3.02Å; D329-I331 PolarHBondContact O-N 3.1Å
330S96.6Very high96.5Very high12 Ų1236.4 Ų36.48%0.08421%0.206CC..  trans-59127.8179.3173.70000111.8D248 Q304 P327 T332D248-S330 WeakPolarHBondContact OD1-CB 3.4Å; D248-S330 PolarHBondContact OD1-OG 3.14Å; Q304-S330 PolarHBondContact NE2-O 2.92Å; P327-S330 WeakPolarHBondContact O-CB 3.41Å; P327-S330 PolarHBondContact O-N 2.75Å; S330-T332 WeakPolarHBondContact OG-CB 3.32Å; S330-T332 PolarHBondContact OG-N 3.31Å; S330-T332 VanDerWaalsContact OG-N 3.13Å; S330-T332 PolarHBondContact OG-OG1 3.4Å
331I96.4Very high96.5Very high60 Ų6041 Ų4131%0.30822%0.224SC..  trans-103.915.3172.457.4169.6000111.7D329 K476 P479D329-I331 PolarHBondContact O-N 3.1Å; I331-K476 VanDerWaalsContact CD1-C 3.5Å; I331-K476 HydrophobicContact CD1-CB 3.68Å; I331-K476 HydrophobicContact CD1-CG 4.18Å; I331-P479 WeakPolarHBondContact O-CD 3.46Å
332T97.3Very high96.6Very high19 Ų1939.7 Ų39.712%0.11722%0.216CC..  trans-63.6127.9-177.1-62.70000110.6F247 D248 G251 Q304 S330 T334F247-T332 HydrophobicContact CD1-CG2 4.42Å; F247-T332 HydrophobicContact CE1-CG2 4.27Å; D248-T332 PolarHBondContact O-OG1 3.1Å; D248-T332 VanDerWaalsContact OD1-CB 3.24Å; D248-T332 WeakPolarHBondContact OD1-CB 3.3Å; D248-T332 PolarHBondContact OD1-OG1 2.74Å; G251-T332 VanDerWaalsContact CA-CG2 3.48Å; Q304-T332 PolarHBondContact NE2-O 2.93Å; S330-T332 WeakPolarHBondContact OG-CB 3.32Å; S330-T332 PolarHBondContact OG-N 3.31Å; S330-T332 VanDerWaalsContact OG-N 3.13Å; S330-T332 PolarHBondContact OG-OG1 3.4Å; T332-T334 PolarHBondContact O-N 2.99Å
333P97.8Very high96.7Very high19 Ų1942.3 Ų42.312%0.12322%0.224CC..  trans-73.9127.6178.829.6-34.7000111.3I252 I302 G303I252-P333 WeakPolarHBondContact CB-O 3.47Å; I252-P333 HydrophobicContact CG2-CB 4.18Å; I252-P333 HydrophobicContact CG2-CG 4.41Å; I252-P333 WeakPolarHBondContact CG2-O 3.49Å; I252-P333 PolarHBondContact N-O 3.14Å; I302-P333 HydrophobicContact CB-CB 3.91Å; I302-P333 HydrophobicContact CG2-CB 4.07Å; G303-P333 CarbonylContact O-C 3.56Å; G303-P333 WeakPolarHBondContact O-CA 3.44Å
334T98.1Very high96.9Very high0 Ų043.2 Ų43.20%023%0.232CC..SBendtrans-99.2-7170.566.10000112.2F247 G303 Q304 Y305 Y320 T332 G357 K358 Y482F247-T334 HydrophobicContact CE1-CG2 3.98Å; G303-T334 PolarHBondContact O-N 3.03Å; Q304-T334 VanDerWaalsContact CA-OG1 3.29Å; Q304-T334 WeakPolarHBondContact CA-OG1 3.45Å; Q304-T334 HydrophobicContact CG-CG2 4.24Å; Y305-T334 HydrophobicContact CD1-CG2 3.75Å; Y305-T334 WeakPolarHBondContact CD1-OG1 2.89Å; Y305-T334 HydrophobicContact CE1-CG2 3.79Å; Y305-T334 PolarHBondContact N-OG1 2.9Å; Y320-T334 HydrophobicContact CD1-CG2 4.09Å; Y320-T334 HydrophobicContact CD2-CG2 3.7Å; Y320-T334 HydrophobicContact CE1-CG2 4.41Å; Y320-T334 HydrophobicContact CE2-CG2 4.1Å; Y320-T334 HydrophobicContact CG-CG2 3.7Å; T332-T334 PolarHBondContact O-N 2.99Å; T334-G357 VanDerWaalsContact O-CA 3.28Å; T334-G357 WeakPolarHBondContact O-CA 3.45Å; T334-K358 PolarHBondContact O-N 3.2Å; T334-Y482 PolarHBondContact O-OH 2.82Å; T334-Y482 WeakPolarHBondContact OG1-CE1 3.35Å; T334-Y482 PolarHBondContact OG1-OH 3.33Å
335Y98.5Very high97Very high4 Ų444 Ų442%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-138.2146174.5178.5-79.7000110.6I302 G303 C337 A356 L360 Y482 N488 P490 A493I302-Y335 WeakPolarHBondContact CA-O 3.46Å; G303-Y335 PolarHBondContact N-O 2.99Å; G303-Y335 PolarHBondContact O-N 3.5Å; Y335-C337 HydrophobicContact CE1-CB 3.84Å; Y335-A356 CarbonylContact C-O 3.52Å; Y335-A356 VanDerWaalsContact CA-O 3.31Å; Y335-A356 WeakPolarHBondContact CA-O 3.14Å; Y335-L360 HydrophobicContact CD2-CD1 4.22Å; Y335-L360 HydrophobicContact CD2-CD2 4.09Å; Y335-L360 HydrophobicContact CE2-CD1 4.28Å; Y335-L360 HydrophobicContact CE2-CD2 4.37Å; Y335-Y482 HydrophobicContact CG-CE1 4.26Å; Y335-N488 WeakPolarHBondContact CE2-O 3.18Å; Y335-N488 PolarHBondContact OH-O 2.81Å; Y335-P490 VanDerWaalsContact CD1-CD 3.44Å; Y335-P490 HydrophobicContact CD1-CG 3.88Å; Y335-P490 HydrophobicContact CE1-CG 4.05Å; Y335-A493 HydrophobicContact CE1-CB 3.66Å; Y335-A493 VanDerWaalsContact OH-CB 3.27Å; Y335-A493 WeakPolarHBondContact OH-CB 3.48Å
336V98.5Very high97.2Very high1 Ų144.6 Ų44.61%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-144.6139.7171.2600000110.8I252 I253 V257 I300 V301 I302 A338 R355 A356I252-V336 HydrophobicContact CG1-CG1 4.33Å; I252-V336 HydrophobicContact CG2-CB 3.84Å; I252-V336 HydrophobicContact CG2-CG1 3.6Å; I253-V336 HydrophobicContact CD1-CG2 4.36Å; I253-V336 HydrophobicContact CG1-CB 4.15Å; I253-V336 HydrophobicContact CG1-CG1 4.22Å; I253-V336 HydrophobicContact CG1-CG2 4.07Å; V257-V336 HydrophobicContact CG2-CG1 3.41Å; V257-V336 VanDerWaalsContact CG2-CG1 3.41Å; I300-V336 HydrophobicContact CD1-CG2 3.67Å; I300-V336 HydrophobicContact CG1-CG2 3.65Å; V301-V336 CarbonylContact O-C 3.45Å; V301-V336 WeakPolarHBondContact O-CA 3.41Å; I302-V336 HydrophobicContact CG2-CG2 4.3Å; V336-A338 HydrophobicContact CG2-CB 4.45Å; V336-R355 WeakPolarHBondContact O-CA 3.35Å; V336-A356 HydrophobicContact CG1-CB 3.96Å; V336-A356 PolarHBondContact N-O 2.78Å; V336-A356 PolarHBondContact O-N 2.9Å
337C98.4Very high97.3Very high0 Ų044.3 Ų44.30%022%0.221CC..EExtended strand (participates in β ladder)trans-123.1117.1162.6176.30000107.6I300 V301 Y335 L354 R355 A493 C497I300-C337 CarbonylContact C-O 3.5Å; I300-C337 WeakPolarHBondContact CA-O 3.48Å; V301-C337 HydrophobicContact CB-CB 4.43Å; V301-C337 PolarHBondContact N-O 3.29Å; V301-C337 PolarHBondContact O-N 2.96Å; Y335-C337 HydrophobicContact CE1-CB 3.84Å; C337-L354 CarbonylContact C-O 3.55Å; C337-L354 WeakPolarHBondContact CA-O 3.17Å; C337-R355 HydrophobicContact CB-CG 4.29Å; C337-A493 HydrophobicContact CB-CB 3.73Å; C337-C497 PolarHBondContact SG-SG 2.92Å
338A98.3Very high97.3Very high2 Ų247.8 Ų47.82%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-121.3146.3179.400000110.5L295 D299 I300 V336 I353 L354L295-A338 HydrophobicContact CD1-CB 4.24Å; L295-A338 HydrophobicContact CD2-CB 3.63Å; D299-A338 CarbonylContact O-C 3.42Å; D299-A338 WeakPolarHBondContact O-CA 3.44Å; I300-A338 HydrophobicContact CG1-CB 4.23Å; V336-A338 HydrophobicContact CG2-CB 4.45Å; A338-I353 CarbonylContact O-C 3.58Å; A338-I353 WeakPolarHBondContact O-CA 3.29Å; A338-L354 HydrophobicContact CB-CB 4.46Å; A338-L354 PolarHBondContact N-O 3.47Å; A338-L354 PolarHBondContact O-N 3.27Å
339V98.4Very high97.4Very high3 Ų344 Ų442%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-115.5123.1174.2-175.50000108.8D299 Y341 P351 F352 I353 L496 A500D299-V339 HydrophobicContact CB-CB 4.4Å; D299-V339 PolarHBondContact O-N 3.35Å; V339-Y341 HydrophobicContact CG1-CE2 3.85Å; V339-P351 HydrophobicContact CG1-CB 3.66Å; V339-F352 WeakPolarHBondContact CA-O 3.41Å; V339-I353 HydrophobicContact CG2-CG1 4.4Å; V339-L496 HydrophobicContact CG2-CD1 4Å; V339-L496 HydrophobicContact CG2-CD2 4.06Å; V339-L496 HydrophobicContact CG2-CG 3.82Å; V339-A500 HydrophobicContact CG1-CB 4.05Å; V339-A500 HydrophobicContact CG2-CB 3.96Å
340L98.4Very high97.6Very high5 Ų537.8 Ų37.83%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-117.6156.5177.3-65.2173.7000110.3L265 I292 L295 F352 L354 I464L265-L340 HydrophobicContact CD1-CD1 3.96Å; I292-L340 HydrophobicContact CG2-CB 4.34Å; I292-L340 HydrophobicContact CG2-CD1 4.45Å; I292-L340 HydrophobicContact CG2-CD2 4.04Å; L295-L340 HydrophobicContact CB-CD2 4.01Å; L295-L340 HydrophobicContact CD1-CD2 3.88Å; L295-L340 HydrophobicContact CG-CD2 4.38Å; L340-F352 HydrophobicContact CB-CB 4.37Å; L340-F352 PolarHBondContact N-O 2.89Å; L340-F352 PolarHBondContact O-N 2.92Å; L340-L354 HydrophobicContact CD1-CD1 3.65Å; L340-L354 HydrophobicContact CD1-CG 4.37Å; L340-I464 HydrophobicContact CD1-CG2 4.39Å; L340-I464 HydrophobicContact CD2-CG2 3.98Å
341Y98.1Very high97.7Very high97 Ų9737.5 Ų37.538%0.3820%0.196SC..EExtended strand (participates in β ladder)trans-128.3133.2174.2-64.4-89.3000110V339 P351V339-Y341 HydrophobicContact CG1-CE2 3.85Å; Y341-P351 HydrophobicContact CD1-CB 4.41Å; Y341-P351 HydrophobicContact CE1-CB 3.69Å; Y341-P351 HydrophobicContact CE1-CG 4.38Å
342V98.2Very high97.8Very high3 Ų334.7 Ų34.72%0.01818%0.182CC..BIsolated β-bridgetrans-93.8112.7174.3-177.40000108.5L265 A269 V288 I292 S344 W347 F352L265-V342 HydrophobicContact CD2-CG2 4.37Å; A269-V342 HydrophobicContact CB-CG2 4.23Å; V288-V342 HydrophobicContact CG1-CG1 4.12Å; V288-V342 HydrophobicContact CG1-CG2 4.14Å; I292-V342 HydrophobicContact CD1-CG2 4.09Å; I292-V342 HydrophobicContact CG1-CB 4.48Å; I292-V342 HydrophobicContact CG1-CG2 3.89Å; V342-S344 VanDerWaalsContact C-N 3.32Å; V342-S344 PolarHBondContact O-N 2.87Å; V342-W347 HydrophobicContact CB-CB 3.85Å; V342-W347 HydrophobicContact CB-CG 4.15Å; V342-W347 HydrophobicContact CG1-CB 4.34Å; V342-W347 HydrophobicContact CG1-CG 4.39Å; V342-W347 WeakPolarHBondContact O-CB 3.27Å; V342-F352 HydrophobicContact CB-CE2 4.29Å; V342-F352 HydrophobicContact CG2-CD2 3.98Å; V342-F352 HydrophobicContact CG2-CE2 3.72Å; V342-F352 HydrophobicContact CG2-CZ 4.16Å
343K96.8Very high97.8Very high121 Ų12133.8 Ų33.853%0.52618%0.176SC..  trans-75.581.1178.8-65.9-170.2171.2-171.90111.4S291 E293S291-K343 VanDerWaalsContact O-CB 3.28Å; S291-K343 WeakPolarHBondContact O-CB 3.49Å; S291-K343 PolarHBondContact O-N 3.04Å; E293-K343 HydrophobicContact CG-CD 4.21Å; E293-K343 IonicContact OE1-NZ 3.29Å; E293-K343 PolarHBondContact OE1-NZ 2.81Å; E293-K343 WeakPolarHBondContact OE2-CE 3.37Å; E293-K343 IonicContact OE2-NZ 3.71Å; E293-K343 PolarHBondContact OE2-NZ 2.83Å
344S96.1Very high97.8Very high33 Ų3333 Ų3323%0.23117%0.171CC..SBendtrans-143.3162.4174.465.10000110.6V342 R346 W347 K348V342-S344 VanDerWaalsContact C-N 3.32Å; V342-S344 PolarHBondContact O-N 2.87Å; S344-R346 PolarHBondContact O-N 3.45Å; S344-W347 PolarHBondContact O-N 3.22Å; S344-W347 WeakPolarHBondContact OG-CB 3.28Å; S344-W347 VanDerWaalsContact OG-CD1 3.28Å; S344-W347 PolarHBondContact OG-N 2.98Å; S344-K348 WeakPolarHBondContact O-CB 3.38Å; S344-K348 PolarHBondContact O-N 2.77Å
345D96.1Very high97.8Very high148 Ų14834 Ų3479%0.79118%0.175SC*.THydrogen-bonded Turntrans-60.8-35.2175-68.8-34.7000112R224R224-D345 WeakPolarHBondContact CD-O 3.44Å
346R97.4Very high97.8Very high66 Ų6633.8 Ų33.825%0.24917%0.174CC..THydrogen-bonded Turntrans-64.3-39.2176.9-178.5177.9-63.7-81-1.5112.7W222 N223 R224 E271 S344W222-R346 WeakPolarHBondContact O-CD 3.29Å; W222-R346 PolarHBondContact O-NH1 3.29Å; N223-R346 HydrophobicContact CB-CG 4.06Å; R224-R346 VanDerWaalsContact CB-O 3.23Å; R224-R346 WeakPolarHBondContact CB-O 3.45Å; R224-R346 WeakPolarHBondContact CG-O 3.32Å; R224-R346 PolarHBondContact N-O 3.18Å; E271-R346 VanDerWaalsContact CD-NE 3.28Å; E271-R346 WeakPolarHBondContact OE1-CD 3.38Å; E271-R346 IonicContact OE1-CZ 3.16Å; E271-R346 IonicContact OE1-NE 3.87Å; E271-R346 PolarHBondContact OE1-NE 3.03Å; E271-R346 IonicContact OE1-NH2 2.78Å; E271-R346 IonicContact OE2-CZ 2.76Å; E271-R346 VanDerWaalsContact OE2-CZ 3.28Å; E271-R346 IonicContact OE2-NE 3.77Å; E271-R346 PolarHBondContact OE2-NE 2.89Å; E271-R346 IonicContact OE2-NH2 2.74Å; E271-R346 PolarHBondContact OE2-NH2 2.83Å; S344-R346 PolarHBondContact O-N 3.45Å
347W98.1Very high97.8Very high2 Ų233.8 Ų33.81%0.00817%0.174CC..THydrogen-bonded Turntrans-114.53.8-167.3-61.8116.8000114.9W222 I227 I230 A269 V342 S344 G349 V350 F352W222-W347 AromaticContact CD1-CH2 3.53Å; W222-W347 AromaticContact CD1-CZ2 3.57Å; W222-W347 HydrophobicContact CG-CH2 4.48Å; W222-W347 AromaticContact NE1-CH2 3.6Å; W222-W347 AromaticContact NE1-CZ2 3.69Å; I227-W347 HydrophobicContact CD1-CH2 3.85Å; I227-W347 HydrophobicContact CD1-CZ3 3.81Å; I227-W347 HydrophobicContact CG2-CZ3 4.41Å; I230-W347 HydrophobicContact CD1-CE3 4.41Å; I230-W347 HydrophobicContact CD1-CH2 3.54Å; I230-W347 HydrophobicContact CD1-CZ2 4.47Å; I230-W347 HydrophobicContact CD1-CZ3 3.5Å; I230-W347 HydrophobicContact CG1-CZ3 4.5Å; A269-W347 HydrophobicContact CB-CZ2 4.48Å; A269-W347 PolarHBondContact O-NE1 3.18Å; V342-W347 HydrophobicContact CB-CB 3.85Å; V342-W347 HydrophobicContact CB-CG 4.15Å; V342-W347 HydrophobicContact CG1-CB 4.34Å; V342-W347 HydrophobicContact CG1-CG 4.39Å; V342-W347 WeakPolarHBondContact O-CB 3.27Å; S344-W347 PolarHBondContact O-N 3.22Å; S344-W347 WeakPolarHBondContact OG-CB 3.28Å; S344-W347 VanDerWaalsContact OG-CD1 3.28Å; S344-W347 PolarHBondContact OG-N 2.98Å; W347-G349 PolarHBondContact O-N 3.27Å; W347-V350 HydrophobicContact CE3-CB 4.12Å; W347-V350 HydrophobicContact CE3-CG1 4.02Å; W347-V350 HydrophobicContact CE3-CG2 4.3Å; W347-V350 HydrophobicContact CZ3-CG1 4.32Å; W347-V350 WeakPolarHBondContact O-CB 3.48Å; W347-V350 PolarHBondContact O-N 2.83Å; W347-F352 HydrophobicContact CB-CE2 4.3Å; W347-F352 AromaticContact CD2-CE2 3.92Å; W347-F352 HydrophobicContact CD2-CE2 3.92Å; W347-F352 AromaticContact CD2-CZ 3.72Å; W347-F352 HydrophobicContact CD2-CZ 3.72Å; W347-F352 AromaticContact CE2-CZ 3.95Å; W347-F352 AromaticContact CE3-CE2 3.91Å; W347-F352 HydrophobicContact CE3-CE2 3.91Å; W347-F352 AromaticContact CE3-CZ 3.79Å; W347-F352 HydrophobicContact CE3-CZ 3.79Å; W347-F352 HydrophobicContact CG-CE2 4.1Å; W347-F352 HydrophobicContact CG-CZ 4.22Å; W347-F352 HydrophobicContact CH2-CZ 4.31Å; W347-F352 HydrophobicContact CZ2-CZ 4.24Å; W347-F352 HydrophobicContact CZ3-CZ 4.1Å
348K96.7Very high97.7Very high132 Ų13234.6 Ų34.657%0.57418%0.177SC*.THydrogen-bonded Turntrans-52.3116.5-179.1179.7173.9-179.7177.20111.8R224 S344 V350R224-K348 PolarHBondContact NE-O 2.99Å; S344-K348 WeakPolarHBondContact O-CB 3.38Å; S344-K348 PolarHBondContact O-N 2.77Å; K348-V350 VanDerWaalsContact C-N 3.34Å
349G96.4Very high97.7Very high63 Ų6334.5 Ų34.565%0.64918%0.176SC*.THydrogen-bonded Turntrans83-0.5178.800000115.4W347 P351W347-G349 PolarHBondContact O-N 3.27Å; G349-P351 WeakPolarHBondContact O-CD 3.37Å
350V98.4Very high97.6Very high4 Ų434.6 Ų34.62%0.02418%0.177CC..  trans-89.7116.7176.7-178.60000109.2R224 I227 W347 K348R224-V350 HydrophobicContact CB-CG2 3.52Å; I227-V350 HydrophobicContact CG2-CG1 3.97Å; W347-V350 HydrophobicContact CE3-CB 4.12Å; W347-V350 HydrophobicContact CE3-CG1 4.02Å; W347-V350 HydrophobicContact CE3-CG2 4.3Å; W347-V350 HydrophobicContact CZ3-CG1 4.32Å; W347-V350 WeakPolarHBondContact O-CB 3.48Å; W347-V350 PolarHBondContact O-N 2.83Å; K348-V350 VanDerWaalsContact C-N 3.34Å
351P98.3Very high97.4Very high6 Ų637.5 Ų37.54%0.03919%0.192CC..EExtended strand (participates in β ladder)trans-77.5138.1175.825.8-24.3000111.9D228 N229 I230 V339 Y341 G349 A500D228-P351 VanDerWaalsContact O-CD 3.3Å; D228-P351 WeakPolarHBondContact O-CD 3.37Å; N229-P351 HydrophobicContact CB-CG 3.86Å; I230-P351 PolarHBondContact N-O 3.28Å; V339-P351 HydrophobicContact CG1-CB 3.66Å; Y341-P351 HydrophobicContact CD1-CB 4.41Å; Y341-P351 HydrophobicContact CE1-CB 3.69Å; Y341-P351 HydrophobicContact CE1-CG 4.38Å; G349-P351 WeakPolarHBondContact O-CD 3.37Å; P351-A500 HydrophobicContact CB-CB 4.08Å; P351-A500 HydrophobicContact CG-CB 4.16Å; P351-A500 WeakPolarHBondContact CG-O 3.46Å
352F98.6Very high97.3Very high1 Ų135.6 Ų35.60%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-103.3106.5168.8-74.9-104.4000108.8I230 L265 V268 A269 V339 L340 V342 W347I230-F352 HydrophobicContact CB-CD1 3.94Å; I230-F352 HydrophobicContact CB-CE1 4.07Å; I230-F352 HydrophobicContact CB-CG 4.46Å; I230-F352 HydrophobicContact CD1-CD1 4.38Å; I230-F352 HydrophobicContact CD1-CE1 3.62Å; I230-F352 HydrophobicContact CD1-CZ 3.75Å; I230-F352 HydrophobicContact CG1-CE1 4.33Å; I230-F352 HydrophobicContact CG2-CD1 3.98Å; I230-F352 HydrophobicContact CG2-CE1 4.11Å; I230-F352 CarbonylContact O-C 3.58Å; I230-F352 WeakPolarHBondContact O-CA 3.16Å; L265-F352 HydrophobicContact CD1-CB 3.84Å; L265-F352 HydrophobicContact CD1-CD1 3.99Å; L265-F352 HydrophobicContact CD1-CG 4.12Å; L265-F352 HydrophobicContact CG-CD1 3.82Å; L265-F352 HydrophobicContact CG-CE1 4.33Å; L265-F352 HydrophobicContact CG-CG 4.39Å; V268-F352 HydrophobicContact CG1-CE1 4.15Å; A269-F352 HydrophobicContact CB-CE1 3.93Å; A269-F352 HydrophobicContact CB-CZ 3.78Å; V339-F352 WeakPolarHBondContact CA-O 3.41Å; L340-F352 HydrophobicContact CB-CB 4.37Å; L340-F352 PolarHBondContact N-O 2.89Å; L340-F352 PolarHBondContact O-N 2.92Å; V342-F352 HydrophobicContact CB-CE2 4.29Å; V342-F352 HydrophobicContact CG2-CD2 3.98Å; V342-F352 HydrophobicContact CG2-CE2 3.72Å; V342-F352 HydrophobicContact CG2-CZ 4.16Å; W347-F352 HydrophobicContact CB-CE2 4.3Å; W347-F352 AromaticContact CD2-CE2 3.92Å; W347-F352 HydrophobicContact CD2-CE2 3.92Å; W347-F352 AromaticContact CD2-CZ 3.72Å; W347-F352 HydrophobicContact CD2-CZ 3.72Å; W347-F352 AromaticContact CE2-CZ 3.95Å; W347-F352 AromaticContact CE3-CE2 3.91Å; W347-F352 HydrophobicContact CE3-CE2 3.91Å; W347-F352 AromaticContact CE3-CZ 3.79Å; W347-F352 HydrophobicContact CE3-CZ 3.79Å; W347-F352 HydrophobicContact CG-CE2 4.1Å; W347-F352 HydrophobicContact CG-CZ 4.22Å; W347-F352 HydrophobicContact CH2-CZ 4.31Å; W347-F352 HydrophobicContact CZ2-CZ 4.24Å; W347-F352 HydrophobicContact CZ3-CZ 4.1Å
353I98.5Very high97.2Very high0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-91.6114.9-178.4-56172000108.4I230 T231 I232 A338 V339 R355 C497 A500 F502I230-I353 PolarHBondContact O-N 2.94Å; T231-I353 CarbonylContact C-O 3.54Å; T231-I353 WeakPolarHBondContact CA-O 3.41Å; T231-I353 HydrophobicContact CG2-CB 4.35Å; T231-I353 HydrophobicContact CG2-CG2 4.3Å; I232-I353 PolarHBondContact N-O 3.06Å; A338-I353 CarbonylContact O-C 3.58Å; A338-I353 WeakPolarHBondContact O-CA 3.29Å; V339-I353 HydrophobicContact CG2-CG1 4.4Å; I353-R355 HydrophobicContact CG2-CG 4.02Å; I353-C497 HydrophobicContact CD1-CB 4.25Å; I353-C497 WeakPolarHBondContact CG2-SG 3.21Å; I353-A500 HydrophobicContact CD1-CB 4.03Å; I353-A500 HydrophobicContact CG1-CB 4.2Å; I353-F502 HydrophobicContact CD1-CB 3.75Å
354L98.4Very high97.2Very high1 Ų136.8 Ų36.81%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-103117.5175.5-56.7-170.4000109.5I232 V257 L261 I262 L265 C337 A338 L340I232-L354 HydrophobicContact CB-CD2 3.84Å; I232-L354 HydrophobicContact CD1-CD2 3.76Å; I232-L354 HydrophobicContact CG1-CD2 4.1Å; V257-L354 HydrophobicContact CG1-CD1 3.96Å; L261-L354 HydrophobicContact CB-CD1 4.26Å; L261-L354 HydrophobicContact CB-CD2 4.29Å; L261-L354 HydrophobicContact CD1-CB 4.01Å; I262-L354 HydrophobicContact CG1-CD1 4.46Å; L265-L354 HydrophobicContact CD1-CD1 4.27Å; L265-L354 HydrophobicContact CD1-CD2 4.09Å; L265-L354 HydrophobicContact CD1-CG 4.47Å; C337-L354 CarbonylContact C-O 3.55Å; C337-L354 WeakPolarHBondContact CA-O 3.17Å; A338-L354 HydrophobicContact CB-CB 4.46Å; A338-L354 PolarHBondContact N-O 3.47Å; A338-L354 PolarHBondContact O-N 3.27Å; L340-L354 HydrophobicContact CD1-CD1 3.65Å; L340-L354 HydrophobicContact CD1-CG 4.37Å
355R97.8Very high97.3Very high22 Ų2235.3 Ų35.38%0.08318%0.179CC..EExtended strand (participates in β ladder)trans-118.5124.8177.2-64.3179.8176.4-165.3-7.2110.1I232 S233 F234 V336 C337 I353 D494 C497I232-R355 PolarHBondContact O-N 3.26Å; S233-R355 CarbonylContact C-O 3.53Å; S233-R355 WeakPolarHBondContact CA-O 3.21Å; F234-R355 PolarHBondContact N-O 3.39Å; V336-R355 WeakPolarHBondContact O-CA 3.35Å; C337-R355 HydrophobicContact CB-CG 4.29Å; I353-R355 HydrophobicContact CG2-CG 4.02Å; R355-D494 IonicContact NH1-OD1 3.88Å; R355-D494 IonicContact NH2-OD1 3.84Å; R355-D494 PolarHBondContact NH2-OD1 2.96Å; R355-C497 PolarHBondContact NE-SG 2.76Å; R355-C497 PolarHBondContact NH2-SG 2.84Å
356A98.1Very high97.3Very high0 Ų028.7 Ų28.70%014%0.143CC..EExtended strand (participates in β ladder)trans-136.1137.2173.300000110.6F234 I252 V256 V257 L261 Y335 V336F234-A356 HydrophobicContact CB-CB 4.33Å; F234-A356 CarbonylContact O-C 3.54Å; F234-A356 VanDerWaalsContact O-CA 3.24Å; F234-A356 WeakPolarHBondContact O-CA 3.43Å; I252-A356 HydrophobicContact CD1-CB 4.34Å; I252-A356 HydrophobicContact CG1-CB 3.85Å; V256-A356 HydrophobicContact CB-CB 4.21Å; V256-A356 HydrophobicContact CG1-CB 3.81Å; V257-A356 HydrophobicContact CG2-CB 4Å; L261-A356 HydrophobicContact CD1-CB 4.03Å; Y335-A356 CarbonylContact C-O 3.52Å; Y335-A356 VanDerWaalsContact CA-O 3.31Å; Y335-A356 WeakPolarHBondContact CA-O 3.14Å; V336-A356 HydrophobicContact CG1-CB 3.96Å; V336-A356 PolarHBondContact N-O 2.78Å; V336-A356 PolarHBondContact O-N 2.9Å
357G97.7Very high97.3Very high0 Ų025.6 Ų25.60%013%0.131CC..EExtended strand (participates in β ladder)trans-166.9154.7171.700000115.9F234 E236 T334F234-G357 PolarHBondContact O-N 2.81Å; E236-G357 PolarHBondContact N-O 2.94Å; T334-G357 VanDerWaalsContact O-CA 3.28Å; T334-G357 WeakPolarHBondContact O-CA 3.45Å
358K97.4Very high97.3Very high18 Ų1826.9 Ų26.98%0.07814%0.136CC..SBendtrans-97.4163.9171.6-64.7-173.8-173.4-67.90111.1E236 T240 F247 I252 D255 T334 L360 Y482E236-K358 CarbonylContact O-C 3.47Å; E236-K358 IonicContact OE2-NZ 3.73Å; E236-K358 PolarHBondContact OE2-NZ 3.48Å; T240-K358 HydrophobicContact CG2-CD 4.26Å; F247-K358 HydrophobicContact CD2-CD 4.46Å; F247-K358 HydrophobicContact CE2-CD 4.01Å; F247-K358 HydrophobicContact CZ-CD 4.11Å; I252-K358 HydrophobicContact CD1-CG 4.34Å; D255-K358 IonicContact OD2-NZ 2.77Å; T334-K358 PolarHBondContact O-N 3.2Å; K358-L360 PolarHBondContact O-N 2.89Å; K358-Y482 WeakPolarHBondContact O-CE2 3.48Å; K358-Y482 PolarHBondContact O-OH 2.66Å
359A96.9Very high97.4Very high0 Ų020.6 Ų20.60%011%0.109CC..SBendtrans53.340.9-179.700000113.1E236 F238 Y305 Y484 G485E236-A359 PolarHBondContact O-N 2.75Å; F238-A359 PolarHBondContact O-N 3.27Å; Y305-A359 HydrophobicContact CD1-CB 3.71Å; Y305-A359 HydrophobicContact CD2-CB 4.01Å; Y305-A359 HydrophobicContact CE1-CB 4.25Å; Y305-A359 HydrophobicContact CG-CB 3.59Å; A359-Y484 HydrophobicContact CB-CD1 4.27Å; A359-Y484 HydrophobicContact CB-CD2 3.39Å; A359-Y484 HydrophobicContact CB-CE1 4.29Å; A359-Y484 HydrophobicContact CB-CE2 3.46Å; A359-Y484 VanDerWaalsContact CB-CE2 3.46Å; A359-Y484 HydrophobicContact CB-CG 3.81Å; A359-G485 PolarHBondContact O-N 2.99Å
360L97.1Very high97.5Very high5 Ų517.7 Ų17.73%0.0268%0.078CC..BIsolated β-bridgetrans-95.8-178.2175-63179.5000110.9K235 E236 P237 Y335 K358 E362 Y482 S486K235-L360 HydrophobicContact CB-CB 4.42Å; K235-L360 HydrophobicContact CB-CD1 3.9Å; K235-L360 HydrophobicContact CD-CD1 4.4Å; K235-L360 HydrophobicContact CG-CD1 3.73Å; E236-L360 PolarHBondContact O-N 3.25Å; P237-L360 VanDerWaalsContact CA-O 3.27Å; P237-L360 WeakPolarHBondContact CA-O 3.36Å; Y335-L360 HydrophobicContact CD2-CD1 4.22Å; Y335-L360 HydrophobicContact CD2-CD2 4.09Å; Y335-L360 HydrophobicContact CE2-CD1 4.28Å; Y335-L360 HydrophobicContact CE2-CD2 4.37Å; K358-L360 PolarHBondContact O-N 2.89Å; L360-E362 VanDerWaalsContact C-N 3.3Å; L360-E362 PolarHBondContact O-N 3.13Å; L360-Y482 HydrophobicContact CD2-CD2 4.28Å; L360-Y482 HydrophobicContact CD2-CE2 3.82Å; L360-S486 CarbonylContact C-O 3.55Å; L360-S486 VanDerWaalsContact CA-O 3.32Å; L360-S486 WeakPolarHBondContact CA-O 3.47Å; L360-S486 WeakPolarHBondContact CD2-O 3.32Å
361N95.1Very high97.4Very high66 Ų6618.6 Ų18.635%0.3538%0.082SC..SBendtrans-70.6-19.4-175.773.7-63000115.1K235 G485 S486 R487K235-N361 VanDerWaalsContact CE-OD1 3.23Å; K235-N361 WeakPolarHBondContact CE-OD1 3.41Å; K235-N361 PolarHBondContact NZ-OD1 3.27Å; N361-G485 WeakPolarHBondContact CA-O 3.27Å; N361-G485 WeakPolarHBondContact CB-O 3.25Å; N361-G485 PolarHBondContact N-O 3.42Å; N361-S486 PolarHBondContact N-O 2.8Å; N361-R487 HydrophobicContact CB-CB 4.47Å; N361-R487 VanDerWaalsContact OD1-CA 3.32Å; N361-R487 WeakPolarHBondContact OD1-CA 3.42Å; N361-R487 PolarHBondContact OD1-O 2.95Å
362E95.7Very high97.2Very high57 Ų5722 Ų2227%0.26610%0.096SC..SBendtrans-156.1159-170.669.8-168.2157.500112K235 L360 K364K235-E362 CarbonylContact C-O 3.53Å; K235-E362 WeakPolarHBondContact CB-O 3.31Å; K235-E362 HydrophobicContact CD-CG 4.37Å; K235-E362 IonicContact NZ-OE1 3.68Å; K235-E362 PolarHBondContact NZ-OE1 3.32Å; L360-E362 VanDerWaalsContact C-N 3.3Å; L360-E362 PolarHBondContact O-N 3.13Å; E362-K364 HydrophobicContact CG-CB 4.07Å; E362-K364 WeakPolarHBondContact OE1-CE 3.47Å; E362-K364 IonicContact OE1-NZ 2.84Å; E362-K364 PolarHBondContact OE1-NZ 3.01Å; E362-K364 IonicContact OE2-NZ 3.19Å
363R96.3Very high96.7Very high115 Ų11525.6 Ų25.643%0.43411%0.113SC..  trans-84.3119.1164.3-172.1173.6-179.8-113.3-0.8108K235 P237 P396K235-R363 CarbonylContact O-C 3.56Å; K235-R363 VanDerWaalsContact O-CA 3.32Å; K235-R363 WeakPolarHBondContact O-CA 3.32Å; P237-R363 HydrophobicContact CG-CB 4.06Å; R363-P396 WeakPolarHBondContact O-CD 3.45Å
364K96.4Very high95.8Very high34 Ų3427.4 Ų27.415%0.14812%0.124CC..EExtended strand (participates in β ladder)trans-157.1134.1176.5-165.8163.970.9-168.50112.1F234 K235 E362 E366 Q395F234-K364 CarbonylContact C-O 3.54Å; F234-K364 WeakPolarHBondContact CA-O 3.42Å; K235-K364 HydrophobicContact CB-CB 4.42Å; K235-K364 PolarHBondContact N-O 2.88Å; K235-K364 PolarHBondContact O-N 3.37Å; E362-K364 HydrophobicContact CG-CB 4.07Å; E362-K364 WeakPolarHBondContact OE1-CE 3.47Å; E362-K364 IonicContact OE1-NZ 2.84Å; E362-K364 PolarHBondContact OE1-NZ 3.01Å; E362-K364 IonicContact OE2-NZ 3.19Å; K364-E366 VanDerWaalsContact CD-OE2 3.29Å; K364-E366 WeakPolarHBondContact CD-OE2 3.41Å; K364-E366 WeakPolarHBondContact CE-OE2 3.38Å; K364-E366 HydrophobicContact CG-CG 4.46Å; K364-E366 IonicContact NZ-OE2 3.86Å; K364-Q395 CarbonylContact C-O 3.59Å; K364-Q395 VanDerWaalsContact CA-O 3.28Å; K364-Q395 WeakPolarHBondContact CA-O 3.42Å
365A97.1Very high94.6Very high2 Ų236.1 Ų36.12%0.01717%0.165CC..EExtended strand (participates in β ladder)trans-122.6130159.800000109.1Y199 S233 V394 Q395Y199-A365 HydrophobicContact CE1-CB 3.9Å; S233-A365 CarbonylContact O-C 3.58Å; S233-A365 WeakPolarHBondContact O-CA 3.49Å; A365-V394 HydrophobicContact CB-CB 4.12Å; A365-V394 HydrophobicContact CB-CG1 4.45Å; A365-V394 WeakPolarHBondContact O-CA 3.32Å; A365-V394 WeakPolarHBondContact O-CB 3.33Å; A365-V394 PolarHBondContact O-N 3.26Å; A365-Q395 HydrophobicContact CB-CG 3.85Å; A365-Q395 PolarHBondContact N-O 3.2Å; A365-Q395 PolarHBondContact O-N 3.16Å
366E97Very high93.2Very high9 Ų938.7 Ų38.74%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-151.7152.8-17865.9176-14500112.4I232 S233 K364 R368 V391 I392I232-E366 WeakPolarHBondContact CA-O 3.25Å; S233-E366 PolarHBondContact N-O 2.88Å; S233-E366 PolarHBondContact O-N 3.48Å; K364-E366 VanDerWaalsContact CD-OE2 3.29Å; K364-E366 WeakPolarHBondContact CD-OE2 3.41Å; K364-E366 WeakPolarHBondContact CE-OE2 3.38Å; K364-E366 HydrophobicContact CG-CG 4.46Å; K364-E366 IonicContact NZ-OE2 3.86Å; E366-R368 IonicContact OE1-CZ 3.06Å; E366-R368 IonicContact OE1-NE 2.71Å; E366-R368 PolarHBondContact OE1-NE 3.01Å; E366-R368 IonicContact OE1-NH2 2.8Å; E366-R368 PolarHBondContact OE1-NH2 3.36Å; E366-R368 IonicContact OE2-NH2 3.18Å; E366-R368 PolarHBondContact OE2-NH2 3.22Å; E366-V391 HydrophobicContact CB-CG1 4.38Å; E366-I392 CarbonylContact C-O 3.59Å; E366-I392 VanDerWaalsContact CA-O 3.28Å; E366-I392 WeakPolarHBondContact CA-O 3.34Å
367V98.3Very high91.7Very high0 Ų047.7 Ų47.70%022%0.221CC..EExtended strand (participates in β ladder)trans-107127.1163.5-179.40000107.5I230 I232 I264 V268 V369 V391 I392I230-V367 HydrophobicContact CG2-CG1 4.44Å; I232-V367 HydrophobicContact CG1-CG2 4.47Å; I232-V367 HydrophobicContact CG2-CG2 4.38Å; I264-V367 HydrophobicContact CG2-CG2 3.3Å; V268-V367 HydrophobicContact CG2-CG1 3.78Å; V268-V367 HydrophobicContact CG2-CG2 4.22Å; V367-V369 HydrophobicContact CG1-CG2 4.43Å; V367-V391 CarbonylContact O-C 3.6Å; V367-V391 WeakPolarHBondContact O-CA 3.35Å; V367-I392 HydrophobicContact CB-CB 4.32Å; V367-I392 HydrophobicContact CB-CD1 4.21Å; V367-I392 HydrophobicContact CG1-CD1 4.28Å; V367-I392 PolarHBondContact N-O 3.35Å; V367-I392 PolarHBondContact O-N 3.07Å
368R98.1Very high90.4Very high30 Ų3054.8 Ų54.811%0.11326%0.258CS..EExtended strand (participates in β ladder)trans-120.5119175.7179.7177.8-55.9-80.5-12.8109I230 T231 E366 E389 L390 V391I230-R368 CarbonylContact C-O 3.59Å; I230-R368 WeakPolarHBondContact CA-O 3.31Å; T231-R368 PolarHBondContact N-O 3.27Å; T231-R368 PolarHBondContact O-N 2.91Å; E366-R368 IonicContact OE1-CZ 3.06Å; E366-R368 IonicContact OE1-NE 2.71Å; E366-R368 PolarHBondContact OE1-NE 3.01Å; E366-R368 IonicContact OE1-NH2 2.8Å; E366-R368 PolarHBondContact OE1-NH2 3.36Å; E366-R368 IonicContact OE2-NH2 3.18Å; E366-R368 PolarHBondContact OE2-NH2 3.22Å; R368-E389 IonicContact CZ-OE2 2.87Å; R368-E389 IonicContact NH1-OE2 2.75Å; R368-E389 PolarHBondContact NH1-OE2 3.21Å; R368-L390 WeakPolarHBondContact CA-O 3.48Å; R368-V391 HydrophobicContact CG-CG2 4.27Å; R368-V391 VanDerWaalsContact NH1-CG2 3.27Å
369V98.2Very high88.9Confident0 Ų058.4 Ų58.40%027%0.274CS..EExtended strand (participates in β ladder)trans-101.4109.9172.7-179.90000107.1W222 I227 I230 V367 F371 E389 L390W222-V369 HydrophobicContact CH2-CG2 3.93Å; W222-V369 HydrophobicContact CZ2-CG2 4.13Å; I227-V369 HydrophobicContact CB-CG1 4.45Å; I227-V369 HydrophobicContact CD1-CG1 3.56Å; I227-V369 HydrophobicContact CG1-CG1 3.65Å; I227-V369 HydrophobicContact CG2-CG1 3.99Å; I230-V369 HydrophobicContact CG1-CG2 4.43Å; V367-V369 HydrophobicContact CG1-CG2 4.43Å; V369-F371 HydrophobicContact CG1-CE1 4.35Å; V369-F371 HydrophobicContact CG1-CE2 4.48Å; V369-F371 HydrophobicContact CG1-CZ 4.17Å; V369-E389 CarbonylContact O-C 3.56Å; V369-E389 VanDerWaalsContact O-CA 3.27Å; V369-E389 WeakPolarHBondContact O-CA 3.4Å; V369-L390 HydrophobicContact CB-CB 4.26Å; V369-L390 PolarHBondContact N-O 3.47Å; V369-L390 PolarHBondContact O-N 2.86Å
370Q97.9Very high86.9Confident2 Ų261.3 Ų61.31%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-96.4120177.3-174.5173.69000109.2D228 N229 R387 E389 Q503D228-Q370 PolarHBondContact N-O 3.38Å; N229-Q370 PolarHBondContact N-O 3.48Å; N229-Q370 PolarHBondContact ND2-OE1 3.33Å; N229-Q370 PolarHBondContact O-N 2.83Å; Q370-R387 HydrophobicContact CG-CB 3.94Å; Q370-R387 VanDerWaalsContact OE1-NH1 3.12Å; Q370-E389 HydrophobicContact CB-CG 4.38Å; Q370-E389 HydrophobicContact CG-CG 4.16Å; Q370-E389 PolarHBondContact NE2-OE1 3.25Å; Q370-Q503 PolarHBondContact NE2-O 3.37Å
371F97.1Very high85Confident22 Ų2263.9 Ų63.910%0.09632%0.323CS..EExtended strand (participates in β ladder)trans-78.3161.6178.3-64-80.3000111L221 N226 I227 V369 R387 N388 L390L221-F371 HydrophobicContact CB-CE1 3.97Å; N226-F371 HydrophobicContact CB-CD1 4.28Å; N226-F371 CarbonylContact O-C 3.48Å; N226-F371 WeakPolarHBondContact O-CA 3.02Å; I227-F371 HydrophobicContact CG1-CD1 4.15Å; I227-F371 HydrophobicContact CG1-CE1 4.04Å; V369-F371 HydrophobicContact CG1-CE1 4.35Å; V369-F371 HydrophobicContact CG1-CE2 4.48Å; V369-F371 HydrophobicContact CG1-CZ 4.17Å; F371-R387 WeakPolarHBondContact O-CB 3.48Å; F371-R387 WeakPolarHBondContact O-CD 3.32Å; F371-R387 WeakPolarHBondContact O-CG 3.42Å; F371-N388 HydrophobicContact CB-CB 4.23Å; F371-N388 HydrophobicContact CD2-CB 3.82Å; F371-N388 WeakPolarHBondContact CD2-O 3.45Å; F371-N388 HydrophobicContact CG-CB 4.38Å; F371-N388 PolarHBondContact N-O 2.92Å; F371-L390 HydrophobicContact CE2-CB 3.99Å; F371-L390 HydrophobicContact CZ-CB 4.39Å
372K94.5Very high83.2Confident78 Ų7871.5 Ų71.534%0.33935%0.353SS..PPolyproline II helixtrans-63.9157.9173.5-68.5-176.2-171.6166.20111.3R224 E225 N226 D228R224-K372 WeakPolarHBondContact O-CE 3.17Å; R224-K372 PolarHBondContact O-NZ 2.81Å; E225-K372 WeakPolarHBondContact O-CD 3.38Å; E225-K372 WeakPolarHBondContact O-CE 3.48Å; E225-K372 PolarHBondContact O-NZ 3.47Å; N226-K372 PolarHBondContact O-N 3.13Å; D228-K372 HydrophobicContact CB-CG 3.95Å
373E88.2Confident81.8Confident77 Ų7777.8 Ų77.836%0.3638%0.382SS..PPolyproline II helixtrans-62.7133.8175.1-172.3178.5174.300110.5H375 G384 R387E373-H375 PolarHBondContact O-N 2.78Å; E373-G384 VanDerWaalsContact OE1-CA 3.28Å; E373-G384 WeakPolarHBondContact OE1-CA 3.45Å; E373-R387 HydrophobicContact CB-CG 4.35Å
374P79.5Confident80.7Confident37 Ų3773.4 Ų73.424%0.2437%0.373CS..PPolyproline II helixtrans-64.4127.6174.5-14.126.4000110.6I376 L385P374-I376 HydrophobicContact CB-CD1 4.37Å; P374-I376 HydrophobicContact CB-CG1 4.33Å; P374-I376 PolarHBondContact O-N 2.87Å; P374-L385 HydrophobicContact CG-CB 4.39Å
375H72.3Confident80Confident185 Ų18572.7 Ų72.786%0.85637%0.37SS*.  trans-74.564173.2-65.2-66.6000111.5E373E373-H375 PolarHBondContact O-N 2.78Å
376I69Low79.5Confident75 Ų7574.2 Ų74.239%0.38538%0.38SS..  trans-131.6105.5-178.5-53.6176.3000110.6P374 L378 F379P374-I376 HydrophobicContact CB-CD1 4.37Å; P374-I376 HydrophobicContact CB-CG1 4.33Å; P374-I376 PolarHBondContact O-N 2.87Å; I376-L378 VanDerWaalsContact C-N 3.3Å; I376-L378 HydrophobicContact CG2-CB 3.8Å; I376-L378 HydrophobicContact CG2-CD1 4.37Å; I376-L378 HydrophobicContact CG2-CG 4.27Å; I376-F379 HydrophobicContact CG2-CD2 3.48Å; I376-F379 VanDerWaalsContact CG2-CD2 3.48Å; I376-F379 HydrophobicContact CG2-CE2 3.77Å
377H65.7Low79.3Confident189 Ų18975.3 Ų75.388%0.87538%0.384SS*.  trans-78.5-13.3173.5-60.2-60.2000113.6F379H377-F379 VanDerWaalsContact C-N 3.32Å; H377-F379 PolarHBondContact O-N 3.21Å
378L70.3Confident79.2Confident150 Ų15077.8 Ų77.879%0.78540%0.397SS*.THydrogen-bonded Turntrans-67.9-28.2-172.4-66.1169.9000113.8I376I376-L378 VanDerWaalsContact C-N 3.3Å; I376-L378 HydrophobicContact CG2-CB 3.8Å; I376-L378 HydrophobicContact CG2-CD1 4.37Å; I376-L378 HydrophobicContact CG2-CG 4.27Å
379F67Low79.1Confident93 Ų9376.9 Ų76.941%0.40839%0.394SS..THydrogen-bonded Turntrans-108.312.7-172.8-54.5-63.9000113.9I376 H377 L385 F413 T415I376-F379 HydrophobicContact CG2-CD2 3.48Å; I376-F379 VanDerWaalsContact CG2-CD2 3.48Å; I376-F379 HydrophobicContact CG2-CE2 3.77Å; H377-F379 VanDerWaalsContact C-N 3.32Å; H377-F379 PolarHBondContact O-N 3.21Å; F379-L385 HydrophobicContact CB-CD1 4.42Å; F379-F413 HydrophobicContact CD1-CE1 4.35Å; F379-F413 HydrophobicContact CE1-CE1 4.27Å; F379-T415 HydrophobicContact CB-CG2 4.08Å
380G54.8Low79.1Confident61 Ų6177 Ų7763%0.62939%0.394SS*.  trans34.494.8153.400000118.5
381S55.9Low79.1Confident60 Ų6076.9 Ų76.942%0.4239%0.394SS..  trans-112.7150.1130.4100.40000106.9E383 G384S381-E383 PolarHBondContact O-N 2.82Å; S381-E383 PolarHBondContact OG-N 3.48Å; S381-G384 PolarHBondContact O-N 2.97Å; S381-G384 PolarHBondContact OG-N 3.2Å; S381-G384 VanDerWaalsContact OG-N 3.13Å; S381-G384 PolarHBondContact OG-O 3.26Å
382K58.8Low79.1Confident226 Ų22675.9 Ų75.998%0.98339%0.39SS*.THydrogen-bonded Turntrans-60-15172.8-79.5-173.7176.9-179.40112.4
383E65.3Low79.3Confident189 Ų18974.3 Ų74.388%0.88338%0.382SS*.THydrogen-bonded Turntrans-105.75.1-172.9-59.5-177.1166.600113S381S381-E383 PolarHBondContact O-N 2.82Å; S381-E383 PolarHBondContact OG-N 3.48Å
384G73.5Confident79.6Confident23 Ų2370.8 Ų70.824%0.23737%0.365CS..  trans88.6177.3-176.200000113.5E373 S381E373-G384 VanDerWaalsContact OE1-CA 3.28Å; E373-G384 WeakPolarHBondContact OE1-CA 3.45Å; S381-G384 PolarHBondContact O-N 2.97Å; S381-G384 PolarHBondContact OG-N 3.2Å; S381-G384 VanDerWaalsContact OG-N 3.13Å; S381-G384 PolarHBondContact OG-O 3.26Å
385L81.7Confident80.3Confident19 Ų1969.6 Ų69.610%0.09936%0.356CS..PPolyproline II helixtrans-94.6141.1173.5-74.6172.1000109.7P374 F379 R387 T415P374-L385 HydrophobicContact CG-CB 4.39Å; F379-L385 HydrophobicContact CB-CD1 4.42Å; L385-R387 PolarHBondContact O-N 3.17Å; L385-T415 HydrophobicContact CD2-CG2 4.22Å
386P87.2Confident81.2Confident34 Ų3463 Ų6322%0.22133%0.33CS..PPolyproline II helixtrans-53.3136.6171.6-2533.6000111.4N405P386-N405 PolarHBondContact O-ND2 2.88Å
387R93.1Very high82.3Confident31 Ų3164 Ų6412%0.11734%0.336CS..PPolyproline II helixtrans-64.2142.5176.3-71.7174.1173.1-161.7-12.6110.4D228 Q370 F371 E373 L385 G501D228-R387 VanDerWaalsContact CG-CZ 3.46Å; D228-R387 IonicContact OD1-CZ 2.75Å; D228-R387 IonicContact OD1-NH1 3.61Å; D228-R387 PolarHBondContact OD1-NH1 2.77Å; D228-R387 IonicContact OD1-NH2 3.29Å; D228-R387 IonicContact OD2-CZ 3.81Å; D228-R387 VanDerWaalsContact OD2-CZ 3.27Å; D228-R387 IonicContact OD2-NH1 2.89Å; D228-R387 PolarHBondContact OD2-NH1 2.78Å; D228-R387 IonicContact OD2-NH2 2.76Å; D228-R387 PolarHBondContact OD2-NH2 2.83Å; Q370-R387 HydrophobicContact CG-CB 3.94Å; Q370-R387 VanDerWaalsContact OE1-NH1 3.12Å; F371-R387 WeakPolarHBondContact O-CB 3.48Å; F371-R387 WeakPolarHBondContact O-CD 3.32Å; F371-R387 WeakPolarHBondContact O-CG 3.42Å; E373-R387 HydrophobicContact CB-CG 4.35Å; L385-R387 PolarHBondContact O-N 3.17Å; R387-G501 PolarHBondContact NH1-O 3.49Å
388N95.3Very high83.7Confident53 Ų5357.7 Ų57.728%0.28331%0.307SS..PPolyproline II helixtrans-69.9150.8171.7-60.9164.1000109.7F371 K403F371-N388 HydrophobicContact CB-CB 4.23Å; F371-N388 HydrophobicContact CD2-CB 3.82Å; F371-N388 WeakPolarHBondContact CD2-O 3.45Å; F371-N388 HydrophobicContact CG-CB 4.38Å; F371-N388 PolarHBondContact N-O 2.92Å; N388-K403 VanDerWaalsContact CA-O 3.27Å; N388-K403 WeakPolarHBondContact CA-O 3.37Å; N388-K403 WeakPolarHBondContact CB-O 3.37Å
389E97.1Very high84.9Confident11 Ų1150.6 Ų50.65%0.05127%0.27CS..EExtended strand (participates in β ladder)trans-138.1127.3177.6-58.5-177.1149.100110.4R368 V369 Q370 V391 I402 K403R368-E389 IonicContact CZ-OE2 2.87Å; R368-E389 IonicContact NH1-OE2 2.75Å; R368-E389 PolarHBondContact NH1-OE2 3.21Å; V369-E389 CarbonylContact O-C 3.56Å; V369-E389 VanDerWaalsContact O-CA 3.27Å; V369-E389 WeakPolarHBondContact O-CA 3.4Å; Q370-E389 HydrophobicContact CB-CG 4.38Å; Q370-E389 HydrophobicContact CG-CG 4.16Å; Q370-E389 PolarHBondContact NE2-OE1 3.25Å; E389-V391 HydrophobicContact CB-CG2 4.43Å; E389-I402 CarbonylContact O-C 3.57Å; E389-I402 WeakPolarHBondContact O-CA 3.32Å; E389-K403 HydrophobicContact CB-CB 4.2Å; E389-K403 HydrophobicContact CB-CD 4.22Å; E389-K403 PolarHBondContact N-O 3.37Å; E389-K403 VanDerWaalsContact N-O 3.13Å; E389-K403 PolarHBondContact O-N 2.76Å; E389-K403 WeakPolarHBondContact OE2-CD 3.39Å; E389-K403 IonicContact OE2-NZ 3.4Å; E389-K403 PolarHBondContact OE2-NZ 2.99Å
390L97.4Very high86.4Confident1 Ų146.7 Ų46.71%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-93.9125.9163.7168.969.7000108.2F218 W222 R368 V369 F371 I392 V400 I402F218-L390 HydrophobicContact CD1-CD2 4.26Å; F218-L390 HydrophobicContact CE1-CD1 4.23Å; F218-L390 HydrophobicContact CE1-CD2 4.06Å; F218-L390 HydrophobicContact CZ-CD1 4.19Å; F218-L390 HydrophobicContact CZ-CD2 4.46Å; W222-L390 HydrophobicContact CH2-CD2 3.79Å; W222-L390 HydrophobicContact CZ3-CD2 3.47Å; W222-L390 VanDerWaalsContact CZ3-CD2 3.47Å; R368-L390 WeakPolarHBondContact CA-O 3.48Å; V369-L390 HydrophobicContact CB-CB 4.26Å; V369-L390 PolarHBondContact N-O 3.47Å; V369-L390 PolarHBondContact O-N 2.86Å; F371-L390 HydrophobicContact CE2-CB 3.99Å; F371-L390 HydrophobicContact CZ-CB 4.39Å; L390-I392 HydrophobicContact CD2-CD1 4.25Å; L390-I392 HydrophobicContact CG-CD1 4.18Å; L390-V400 HydrophobicContact CD1-CG1 3.88Å; L390-I402 HydrophobicContact CD1-CD1 4.43Å; L390-I402 HydrophobicContact CD1-CG1 3.65Å
391V97.5Very high88.4Confident0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-120.3125.4179.2-170.20000110.2E366 V367 R368 E389 V400 Y401E366-V391 HydrophobicContact CB-CG1 4.38Å; V367-V391 CarbonylContact O-C 3.6Å; V367-V391 WeakPolarHBondContact O-CA 3.35Å; R368-V391 HydrophobicContact CG-CG2 4.27Å; R368-V391 VanDerWaalsContact NH1-CG2 3.27Å; E389-V391 HydrophobicContact CB-CG2 4.43Å; V391-V400 WeakPolarHBondContact O-CA 3.43Å; V391-Y401 HydrophobicContact CB-CD1 4.17Å; V391-Y401 HydrophobicContact CB-CD2 4.02Å; V391-Y401 HydrophobicContact CB-CE1 3.71Å; V391-Y401 HydrophobicContact CB-CE2 3.56Å; V391-Y401 HydrophobicContact CB-CG 4.31Å; V391-Y401 HydrophobicContact CG1-CE1 3.75Å; V391-Y401 HydrophobicContact CG1-CE2 4.19Å; V391-Y401 WeakPolarHBondContact CG1-OH 3.2Å; V391-Y401 HydrophobicContact CG2-CD2 4.09Å; V391-Y401 HydrophobicContact CG2-CE1 4.48Å; V391-Y401 HydrophobicContact CG2-CE2 3.44Å; V391-Y401 VanDerWaalsContact CG2-CE2 3.44Å; V391-Y401 PolarHBondContact N-O 3.09Å; V391-Y401 PolarHBondContact O-N 3.02Å
392I97.9Very high90.3Very high1 Ų144.1 Ų44.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-107.2101.6168.2-55.6102.2000107.2M204 L208 L211 E366 V367 L390 V394M204-I392 HydrophobicContact CB-CG2 4.06Å; M204-I392 HydrophobicContact CE-CG2 3.86Å; L208-I392 HydrophobicContact CD2-CB 4.46Å; L208-I392 HydrophobicContact CD2-CD1 3.88Å; L208-I392 HydrophobicContact CD2-CG1 4.15Å; L208-I392 HydrophobicContact CD2-CG2 4.41Å; L211-I392 HydrophobicContact CD1-CG1 3.94Å; E366-I392 CarbonylContact C-O 3.59Å; E366-I392 VanDerWaalsContact CA-O 3.28Å; E366-I392 WeakPolarHBondContact CA-O 3.34Å; V367-I392 HydrophobicContact CB-CB 4.32Å; V367-I392 HydrophobicContact CB-CD1 4.21Å; V367-I392 HydrophobicContact CG1-CD1 4.28Å; V367-I392 PolarHBondContact N-O 3.35Å; V367-I392 PolarHBondContact O-N 3.07Å; L390-I392 HydrophobicContact CD2-CD1 4.25Å; L390-I392 HydrophobicContact CG-CD1 4.18Å; I392-V394 PolarHBondContact O-N 2.78Å
393R97.4Very high92.1Very high46 Ų4633.9 Ų33.917%0.17417%0.174CC..EExtended strand (participates in β ladder)trans-84.3111.4175.8-174.1168.264.7-138.2-3.5108.8M204 P396 D397 A399M204-R393 WeakPolarHBondContact CG-O 3.37Å; R393-P396 VanDerWaalsContact CD-O 3.3Å; R393-P396 WeakPolarHBondContact CD-O 3.24Å; R393-P396 WeakPolarHBondContact CG-O 3.37Å; R393-P396 PolarHBondContact NE-O 3.17Å; R393-P396 VanDerWaalsContact NE-O 3.09Å; R393-D397 PolarHBondContact NE-O 3.08Å; R393-D397 PolarHBondContact NH2-O 3.37Å; R393-A399 HydrophobicContact CB-CB 4.41Å; R393-A399 PolarHBondContact N-O 3.42Å; R393-A399 PolarHBondContact O-N 3.33Å
394V96Very high93.4Very high2 Ų226.8 Ų26.81%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-78.1-37.7-177.5174.30000112Y199 K202 M204 V205 A365 I392Y199-V394 HydrophobicContact CE1-CG1 4.48Å; K202-V394 HydrophobicContact CB-CG1 4.13Å; K202-V394 HydrophobicContact CD-CG1 3.54Å; K202-V394 HydrophobicContact CG-CG1 4.48Å; M204-V394 HydrophobicContact CB-CB 4.34Å; M204-V394 HydrophobicContact CB-CG2 4.11Å; V205-V394 HydrophobicContact CG2-CG1 3.78Å; V205-V394 HydrophobicContact CG2-CG2 3.96Å; A365-V394 HydrophobicContact CB-CB 4.12Å; A365-V394 HydrophobicContact CB-CG1 4.45Å; A365-V394 WeakPolarHBondContact O-CA 3.32Å; A365-V394 WeakPolarHBondContact O-CB 3.33Å; A365-V394 PolarHBondContact O-N 3.26Å; I392-V394 PolarHBondContact O-N 2.78Å
395Q93.2Very high94.2Very high12 Ų1227.5 Ų27.56%0.05614%0.141CC..EExtended strand (participates in β ladder)trans-166.8160.7172.364.6-176.92000110.5Y199 K364 A365Y199-Q395 PolarHBondContact OH-NE2 3.32Å; K364-Q395 CarbonylContact C-O 3.59Å; K364-Q395 VanDerWaalsContact CA-O 3.28Å; K364-Q395 WeakPolarHBondContact CA-O 3.42Å; A365-Q395 HydrophobicContact CB-CG 3.85Å; A365-Q395 PolarHBondContact N-O 3.2Å; A365-Q395 PolarHBondContact O-N 3.16Å
396P92.3Very high94.6Very high48 Ų4829.1 Ų29.131%0.31215%0.151SC..SBendcis-67.1177.7-24.734.1-37.2000110.7R363 R393R363-P396 WeakPolarHBondContact O-CD 3.45Å; R393-P396 VanDerWaalsContact CD-O 3.3Å; R393-P396 WeakPolarHBondContact CD-O 3.24Å; R393-P396 WeakPolarHBondContact CG-O 3.37Å; R393-P396 PolarHBondContact NE-O 3.17Å; R393-P396 VanDerWaalsContact NE-O 3.09Å
397D91.5Very high94.8Very high95 Ų9532 Ų3251%0.50816%0.16SC..SBendtrans51.567.8175.7-55-45.5000111.7R393 A399R393-D397 PolarHBondContact NE-O 3.08Å; R393-D397 PolarHBondContact NH2-O 3.37Å; D397-A399 PolarHBondContact O-N 3.16Å
398E95.1Very high94.5Very high57 Ų5731.2 Ų31.227%0.26616%0.16SC..  trans-43.8122.1-177.8-71.181.2179.800111.2M204 Y424 L433M204-E398 HydrophobicContact CG-CB 3.62Å; M204-E398 HydrophobicContact CG-CG 3.61Å; M204-E398 HydrophobicContact SD-CB 3.86Å; M204-E398 HydrophobicContact SD-CG 4.36Å; E398-Y424 HydrophobicContact CB-CD2 4.25Å; E398-Y424 HydrophobicContact CB-CG 4.16Å; E398-Y424 WeakPolarHBondContact O-CB 3.46Å; E398-Y424 PolarHBondContact O-N 2.91Å; E398-L433 HydrophobicContact CB-CD1 4.16Å; E398-L433 HydrophobicContact CG-CD1 3.85Å
399A96.2Very high94.2Very high0 Ų034.1 Ų34.10%018%0.182CC..EExtended strand (participates in β ladder)trans-153.5153.3-174.800000113.1R393 D397 Y401 L422R393-A399 HydrophobicContact CB-CB 4.41Å; R393-A399 PolarHBondContact N-O 3.42Å; R393-A399 PolarHBondContact O-N 3.33Å; D397-A399 PolarHBondContact O-N 3.16Å; A399-Y401 HydrophobicContact CB-CD1 4.43Å; A399-L422 CarbonylContact C-O 3.3Å; A399-L422 WeakPolarHBondContact CA-O 3.35Å
400V97.3Very high93.8Very high12 Ų1236.4 Ų36.47%0.07321%0.208CC..EExtended strand (participates in β ladder)trans-124.4126.1166.5-173.20000107.7M204 L211 L390 V391 L422M204-V400 HydrophobicContact CE-CG2 3.27Å; L211-V400 HydrophobicContact CD1-CG1 4.33Å; L211-V400 HydrophobicContact CD1-CG2 3.94Å; L211-V400 HydrophobicContact CD2-CG1 4.44Å; L390-V400 HydrophobicContact CD1-CG1 3.88Å; V391-V400 WeakPolarHBondContact O-CA 3.43Å; V400-L422 PolarHBondContact N-O 3.36Å; V400-L422 PolarHBondContact O-N 2.81Å
401Y96.7Very high93.2Very high24 Ų2445.9 Ų45.99%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-143.6149.8175.359.2-88000112.2V391 A399 K403 L420V391-Y401 HydrophobicContact CB-CD1 4.17Å; V391-Y401 HydrophobicContact CB-CD2 4.02Å; V391-Y401 HydrophobicContact CB-CE1 3.71Å; V391-Y401 HydrophobicContact CB-CE2 3.56Å; V391-Y401 HydrophobicContact CB-CG 4.31Å; V391-Y401 HydrophobicContact CG1-CE1 3.75Å; V391-Y401 HydrophobicContact CG1-CE2 4.19Å; V391-Y401 WeakPolarHBondContact CG1-OH 3.2Å; V391-Y401 HydrophobicContact CG2-CD2 4.09Å; V391-Y401 HydrophobicContact CG2-CE1 4.48Å; V391-Y401 HydrophobicContact CG2-CE2 3.44Å; V391-Y401 VanDerWaalsContact CG2-CE2 3.44Å; V391-Y401 PolarHBondContact N-O 3.09Å; V391-Y401 PolarHBondContact O-N 3.02Å; A399-Y401 HydrophobicContact CB-CD1 4.43Å; Y401-K403 HydrophobicContact CD2-CG 4.1Å; Y401-K403 HydrophobicContact CE2-CD 4.15Å; Y401-K403 HydrophobicContact CE2-CG 4.16Å; Y401-L420 CarbonylContact C-O 3.49Å; Y401-L420 WeakPolarHBondContact CA-O 3.27Å; Y401-L420 WeakPolarHBondContact CB-O 3.29Å
402I96.5Very high92.5Very high42 Ų4252.7 Ų52.722%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-114.5120.6176.3-58.1170.9000108.2F218 E389 L390 L404 E419 L420F218-I402 HydrophobicContact CE1-CD1 3.72Å; F218-I402 HydrophobicContact CZ-CD1 3.84Å; E389-I402 CarbonylContact O-C 3.57Å; E389-I402 WeakPolarHBondContact O-CA 3.32Å; L390-I402 HydrophobicContact CD1-CD1 4.43Å; L390-I402 HydrophobicContact CD1-CG1 3.65Å; I402-L404 HydrophobicContact CG2-CD2 4.32Å; I402-E419 CarbonylContact O-C 3.57Å; I402-E419 WeakPolarHBondContact O-CA 3.42Å; I402-L420 PolarHBondContact N-O 3.24Å; I402-L420 PolarHBondContact O-N 3.5Å
403K95.7Very high91.7Very high11 Ų1160.5 Ų60.55%0.04832%0.319CS..EExtended strand (participates in β ladder)trans-84.6126.4170.9-62.717266.8-1380109.6N388 E389 Y401 E417 T418 Y508N388-K403 VanDerWaalsContact CA-O 3.27Å; N388-K403 WeakPolarHBondContact CA-O 3.37Å; N388-K403 WeakPolarHBondContact CB-O 3.37Å; E389-K403 HydrophobicContact CB-CB 4.2Å; E389-K403 HydrophobicContact CB-CD 4.22Å; E389-K403 PolarHBondContact N-O 3.37Å; E389-K403 VanDerWaalsContact N-O 3.13Å; E389-K403 PolarHBondContact O-N 2.76Å; E389-K403 WeakPolarHBondContact OE2-CD 3.39Å; E389-K403 IonicContact OE2-NZ 3.4Å; E389-K403 PolarHBondContact OE2-NZ 2.99Å; Y401-K403 HydrophobicContact CD2-CG 4.1Å; Y401-K403 HydrophobicContact CE2-CD 4.15Å; Y401-K403 HydrophobicContact CE2-CG 4.16Å; K403-E417 WeakPolarHBondContact CE-OE1 3.28Å; K403-E417 IonicContact NZ-OE1 2.64Å; K403-E417 PolarHBondContact NZ-OE1 2.74Å; K403-T418 CarbonylContact C-O 3.51Å; K403-T418 VanDerWaalsContact CA-O 3.29Å; K403-T418 WeakPolarHBondContact CA-O 3.36Å; K403-Y508 HydrophobicContact CD-CD1 4.28Å; K403-Y508 HydrophobicContact CD-CE1 4.25Å; K403-Y508 HydrophobicContact CD-CG 4.45Å; K403-Y508 VanDerWaalsContact CE-CD1 3.46Å; K403-Y508 HydrophobicContact CG-CE2 4.45Å
404L93.5Very high91.1Very high41 Ų4164.1 Ų64.122%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-144.9166.3-177.964.5117.5000111.9I402 V406 E417 T418 L420I402-L404 HydrophobicContact CG2-CD2 4.32Å; L404-V406 HydrophobicContact CD1-CG1 3.36Å; L404-V406 HydrophobicContact CG-CG1 4.41Å; L404-E417 WeakPolarHBondContact O-CA 3.36Å; L404-T418 PolarHBondContact N-O 2.96Å; L404-T418 PolarHBondContact O-N 2.81Å; L404-L420 HydrophobicContact CD2-CD1 3.94Å; L404-L420 HydrophobicContact CD2-CG 3.81Å
405N90.3Very high90.6Very high37 Ų3766.8 Ų66.820%0.19835%0.354CS..EExtended strand (participates in β ladder)trans-96.1124.6179.4-57.4-64.1000109.9P386 E416P386-N405 PolarHBondContact O-ND2 2.88Å; N405-E416 WeakPolarHBondContact CA-O 3.16Å
406V90.3Very high90.3Very high53 Ų5371.1 Ų71.132%0.32137%0.374SS..EExtended strand (participates in β ladder)trans-123.6169.7175-60.40000111L404 S408 T415 E416 T418L404-V406 HydrophobicContact CD1-CG1 3.36Å; L404-V406 HydrophobicContact CG-CG1 4.41Å; V406-S408 PolarHBondContact O-N 2.91Å; V406-T415 CarbonylContact O-C 3.57Å; V406-T415 VanDerWaalsContact O-CA 3.3Å; V406-T415 WeakPolarHBondContact O-CA 3.29Å; V406-E416 PolarHBondContact N-O 2.81Å; V406-E416 PolarHBondContact O-N 2.82Å; V406-T418 HydrophobicContact CB-CG2 4.08Å; V406-T418 HydrophobicContact CG1-CG2 3.54Å; V406-T418 HydrophobicContact CG2-CG2 3.38Å
407K89.9Confident90.2Very high94 Ų9469.8 Ų69.841%0.40936%0.364SS..EExtended strand (participates in β ladder)trans-68.5127.4168.1-167.7-161.988.565.70109.6G410 K412 F413K407-G410 PolarHBondContact NZ-O 2.78Å; K407-K412 PolarHBondContact NZ-O 2.76Å; K407-F413 HydrophobicContact CD-CD2 3.91Å; K407-F413 HydrophobicContact CD-CE2 4.24Å; K407-F413 HydrophobicContact CG-CD2 4.23Å
408S88Confident90.2Very high15 Ų1567.5 Ų67.511%0.10535%0.353CS..PPolyproline II helixtrans-50.5132.2172.863.90000110.5V406 K412 Q414V406-S408 PolarHBondContact O-N 2.91Å; S408-K412 PolarHBondContact OG-O 3.19Å; S408-Q414 PolarHBondContact N-O 2.67Å; S408-Q414 PolarHBondContact OG-O 3Å
409P88.2Confident90.2Very high115 Ų11567.1 Ų67.175%0.74735%0.351SS*.SBendtrans-54142.3175.6-26.635000112.3
410G89.9Confident90.2Very high59 Ų5972.8 Ų72.861%0.60838%0.381SS*.SBendtrans101.2-156.7179.800000114.6K407K407-G410 PolarHBondContact NZ-O 2.78Å
411M85Confident90.1Very high200 Ų20075.8 Ų75.899%0.98540%0.397SS*.SBendtrans-85.5-12.9-168.8-62.3-1737900114.8
412K81.3Confident90Very high142 Ų14277.3 Ų77.362%0.61741%0.406SS*.  trans-79144178.5-63.2-177.5-177.7177.70110.4K407 S408 Q414K407-K412 PolarHBondContact NZ-O 2.76Å; S408-K412 PolarHBondContact OG-O 3.19Å; K412-Q414 HydrophobicContact CB-CG 4.47Å
413F82Confident89.9Confident166 Ų16675.8 Ų75.873%0.72840%0.399SS*.  trans-10257.7173-160.4-98.2000109.4F379 K407F379-F413 HydrophobicContact CD1-CE1 4.35Å; F379-F413 HydrophobicContact CE1-CE1 4.27Å; K407-F413 HydrophobicContact CD-CD2 3.91Å; K407-F413 HydrophobicContact CD-CE2 4.24Å; K407-F413 HydrophobicContact CG-CD2 4.23Å
414Q83.9Confident89.8Confident121 Ų12176.5 Ų76.557%0.56540%0.402SS*.  trans-109.9148176.2-71.1177.7-24.400108.7S408 K412S408-Q414 PolarHBondContact N-O 2.67Å; S408-Q414 PolarHBondContact OG-O 3Å; K412-Q414 HydrophobicContact CB-CG 4.47Å
415T85.7Confident89.6Confident59 Ų5977 Ų7736%0.36241%0.412SS..EExtended strand (participates in β ladder)trans-83.1140.7174.451.60000110.6F379 L385 V406F379-T415 HydrophobicContact CB-CG2 4.08Å; L385-T415 HydrophobicContact CD2-CG2 4.22Å; V406-T415 CarbonylContact O-C 3.57Å; V406-T415 VanDerWaalsContact O-CA 3.3Å; V406-T415 WeakPolarHBondContact O-CA 3.29Å
416E87Confident89.7Confident102 Ų10281.2 Ų81.248%0.47743%0.43SS..EExtended strand (participates in β ladder)trans-134.4145.3175.4-176.8174.8-177.600109.4N405 V406N405-E416 WeakPolarHBondContact CA-O 3.16Å; V406-E416 PolarHBondContact N-O 2.81Å; V406-E416 PolarHBondContact O-N 2.82Å
417E89.9Confident89.8Confident20 Ų2086.2 Ų86.29%0.09344%0.443CS..EExtended strand (participates in β ladder)trans-83124.4177.1-167.8178.6171.500109.8K403 L404 S505 T507 Y508K403-E417 WeakPolarHBondContact CE-OE1 3.28Å; K403-E417 IonicContact NZ-OE1 2.64Å; K403-E417 PolarHBondContact NZ-OE1 2.74Å; L404-E417 WeakPolarHBondContact O-CA 3.36Å; E417-S505 PolarHBondContact OE2-OG 3.36Å; E417-T507 PolarHBondContact OE2-OG1 3Å; E417-Y508 HydrophobicContact CG-CD2 4.03Å
418T92.2Very high89.9Confident48 Ų4885.9 Ų85.929%0.29444%0.44SS..EExtended strand (participates in β ladder)trans-138.8-174.7178-164.10000110.5K403 L404 V406K403-T418 CarbonylContact C-O 3.51Å; K403-T418 VanDerWaalsContact CA-O 3.29Å; K403-T418 WeakPolarHBondContact CA-O 3.36Å; L404-T418 PolarHBondContact N-O 2.96Å; L404-T418 PolarHBondContact O-N 2.81Å; V406-T418 HydrophobicContact CB-CG2 4.08Å; V406-T418 HydrophobicContact CG1-CG2 3.54Å; V406-T418 HydrophobicContact CG2-CG2 3.38Å
419E94.5Very high89.7Confident48 Ų4893.5 Ų93.522%0.22447%0.471CS..EExtended strand (participates in β ladder)trans-132.6151-177.769-77.117800114.4I402 D421 Y508 W510I402-E419 CarbonylContact O-C 3.57Å; I402-E419 WeakPolarHBondContact O-CA 3.42Å; E419-D421 HydrophobicContact CG-CB 4.2Å; E419-Y508 WeakPolarHBondContact OE2-CE2 3.28Å; E419-Y508 VanDerWaalsContact OE2-CZ 3.31Å; E419-Y508 PolarHBondContact OE2-OH 2.94Å; E419-W510 VanDerWaalsContact OE1-CD1 3.25Å
420L95.8Very high89.5Confident120 Ų12090.7 Ų90.763%0.62846%0.458SS*.EExtended strand (participates in β ladder)trans-99.2117.4155-64.2172.2000107.3Y401 I402 L404Y401-L420 CarbonylContact C-O 3.49Å; Y401-L420 WeakPolarHBondContact CA-O 3.27Å; Y401-L420 WeakPolarHBondContact CB-O 3.29Å; I402-L420 PolarHBondContact N-O 3.24Å; I402-L420 PolarHBondContact O-N 3.5Å; L404-L420 HydrophobicContact CD2-CD1 3.94Å; L404-L420 HydrophobicContact CD2-CG 3.81Å
421D95.6Very high89.2Confident74 Ų7491.7 Ų91.740%0.39645%0.448SS..EExtended strand (participates in β ladder)trans-114.8138.4-170.1-178.3-101.2000113.3E419 T423E419-D421 HydrophobicContact CG-CB 4.2Å; D421-T423 WeakPolarHBondContact OD1-CB 3.3Å; D421-T423 PolarHBondContact OD1-N 2.8Å; D421-T423 PolarHBondContact OD1-OG1 3.29Å; D421-T423 PolarHBondContact OD2-OG1 2.74Å
422L95.5Very high89.2Confident56 Ų5687.6 Ų87.629%0.29343%0.425SS..EExtended strand (participates in β ladder)trans-125.990.2163.6174.462000108.7A399 V400 Y424 R427 Y428A399-L422 CarbonylContact C-O 3.3Å; A399-L422 WeakPolarHBondContact CA-O 3.35Å; V400-L422 PolarHBondContact N-O 3.36Å; V400-L422 PolarHBondContact O-N 2.81Å; L422-Y424 HydrophobicContact CD2-CE1 3.95Å; L422-Y424 HydrophobicContact CG-CD1 4.18Å; L422-Y424 HydrophobicContact CG-CE1 4.05Å; L422-R427 HydrophobicContact CD1-CB 3.74Å; L422-R427 HydrophobicContact CD1-CG 3.66Å; L422-Y428 HydrophobicContact CD1-CE2 4.19Å
423T94Very high89.4Confident11 Ų1183.2 Ų83.27%0.06741%0.408CS..EExtended strand (participates in β ladder)trans-89.5120.4168.9-63.70000110.9D421 A425 H426 R427D421-T423 WeakPolarHBondContact OD1-CB 3.3Å; D421-T423 PolarHBondContact OD1-N 2.8Å; D421-T423 PolarHBondContact OD1-OG1 3.29Å; D421-T423 PolarHBondContact OD2-OG1 2.74Å; T423-A425 HydrophobicContact CG2-CB 4.45Å; T423-A425 PolarHBondContact O-N 2.68Å; T423-H426 PolarHBondContact O-N 3.49Å; T423-H426 VanDerWaalsContact O-N 3.13Å; T423-R427 PolarHBondContact O-N 2.75Å
424Y93.7Very high89.7Confident25 Ų2577.4 Ų77.410%0.09839%0.387CS..Hα-helixtrans-64.4-42.5-171-81.932.7000112E203 M204 N207 E398 L422 H426 R427 Y428 L433E203-Y424 HydrophobicContact CG-CD2 4.45Å; E203-Y424 HydrophobicContact CG-CE2 3.87Å; M204-Y424 HydrophobicContact CE-CE1 4.08Å; M204-Y424 HydrophobicContact SD-CD1 4.37Å; M204-Y424 HydrophobicContact SD-CD2 4.16Å; M204-Y424 HydrophobicContact SD-CE1 3.86Å; M204-Y424 HydrophobicContact SD-CE2 3.62Å; N207-Y424 PolarHBondContact ND2-OH 2.89Å; E398-Y424 HydrophobicContact CB-CD2 4.25Å; E398-Y424 HydrophobicContact CB-CG 4.16Å; E398-Y424 WeakPolarHBondContact O-CB 3.46Å; E398-Y424 PolarHBondContact O-N 2.91Å; L422-Y424 HydrophobicContact CD2-CE1 3.95Å; L422-Y424 HydrophobicContact CG-CD1 4.18Å; L422-Y424 HydrophobicContact CG-CE1 4.05Å; Y424-H426 PolarHBondContact O-N 2.81Å; Y424-H426 VanDerWaalsContact O-N 3.16Å; Y424-R427 PolarHBondContact O-N 2.83Å; Y424-Y428 HydrophobicContact CD1-CD2 4.26Å; Y424-Y428 HydrophobicContact CD1-CE2 4.15Å; Y424-Y428 HydrophobicContact CD2-CD2 4.2Å; Y424-Y428 HydrophobicContact CE1-CE2 4.24Å; Y424-Y428 AromaticContact CG-CD2 3.97Å; Y424-Y428 HydrophobicContact CG-CD2 3.97Å; Y424-Y428 HydrophobicContact CG-CE2 4.27Å; Y424-Y428 WeakPolarHBondContact O-CA 3.46Å; Y424-Y428 WeakPolarHBondContact O-CB 3.16Å; Y424-Y428 PolarHBondContact O-N 3.13Å; Y424-L433 HydrophobicContact CD2-CD1 4.13Å; Y424-L433 HydrophobicContact CD2-CD2 4.31Å
425A89.8Confident90Very high53 Ų5373.8 Ų73.844%0.43837%0.372SS..Hα-helixtrans-59.1-29.1177.800000113T423 K429T423-A425 HydrophobicContact CG2-CB 4.45Å; T423-A425 PolarHBondContact O-N 2.68Å; A425-K429 WeakPolarHBondContact O-CG 3.45Å
426H91.1Very high90.3Very high124 Ų12471.2 Ų71.257%0.57436%0.356SS*.Hα-helixtrans-86.6-41.3177.4-67.7171.9000112.5T423 Y424 K429T423-H426 PolarHBondContact O-N 3.49Å; T423-H426 VanDerWaalsContact O-N 3.13Å; Y424-H426 PolarHBondContact O-N 2.81Å; Y424-H426 VanDerWaalsContact O-N 3.16Å; H426-K429 WeakPolarHBondContact O-CE 3.36Å
427R92.6Very high90.6Very high159 Ų15967.4 Ų67.460%0.634%0.337SS*.Hα-helixtrans-81.8-32-174.5-177.858.8-176.477.40.9113.7L422 T423 Y424L422-R427 HydrophobicContact CD1-CB 3.74Å; L422-R427 HydrophobicContact CD1-CG 3.66Å; T423-R427 PolarHBondContact O-N 2.75Å; Y424-R427 PolarHBondContact O-N 2.83Å
428Y92.1Very high90.8Very high87 Ų8767 Ų6734%0.34134%0.335SS..  trans-123.748.2-173.1-53.9-62.4000111.6L422 Y424 A430 I431L422-Y428 HydrophobicContact CD1-CE2 4.19Å; Y424-Y428 HydrophobicContact CD1-CD2 4.26Å; Y424-Y428 HydrophobicContact CD1-CE2 4.15Å; Y424-Y428 HydrophobicContact CD2-CD2 4.2Å; Y424-Y428 HydrophobicContact CE1-CE2 4.24Å; Y424-Y428 AromaticContact CG-CD2 3.97Å; Y424-Y428 HydrophobicContact CG-CD2 3.97Å; Y424-Y428 HydrophobicContact CG-CE2 4.27Å; Y424-Y428 WeakPolarHBondContact O-CA 3.46Å; Y424-Y428 WeakPolarHBondContact O-CB 3.16Å; Y424-Y428 PolarHBondContact O-N 3.13Å; Y428-A430 PolarHBondContact O-N 2.76Å; Y428-I431 HydrophobicContact CD1-CD1 4.2Å; Y428-I431 HydrophobicContact CG-CD1 4.37Å; Y428-I431 PolarHBondContact O-N 2.82Å
429K84.5Confident90.9Very high174 Ų17466.8 Ų66.876%0.75733%0.329SS*.THydrogen-bonded Turntrans-52.8-28.5-174.1-72178.9-178.9-174.60115.4A425 H426A425-K429 WeakPolarHBondContact O-CG 3.45Å; H426-K429 WeakPolarHBondContact O-CE 3.36Å
430A84Confident90.9Very high57 Ų5764.5 Ų64.547%0.47132%0.319SS..THydrogen-bonded Turntrans-90.7-9.4-177.700000113.7N5 Y428N5-A430 HydrophobicContact CB-CB 3.78Å; N5-A430 WeakPolarHBondContact ND2-CB 3.42Å; Y428-A430 PolarHBondContact O-N 2.76Å
431I83.8Confident90.9Very high79 Ų7958.8 Ų58.841%0.40529%0.289SS..PPolyproline II helixtrans-94.2123.1-175.3-59.6-176.8000109.4Y428 L433Y428-I431 HydrophobicContact CD1-CD1 4.2Å; Y428-I431 HydrophobicContact CG-CD1 4.37Å; Y428-I431 PolarHBondContact O-N 2.82Å; I431-L433 HydrophobicContact CG2-CD2 4.48Å
432K83.6Confident90.9Very high115 Ų11556.2 Ų56.250%0.528%0.275SS..PPolyproline II helixtrans-82.6116.2167.7-178.7-165.8169.4-142.50108.4E438K432-E438 IonicContact NZ-OE1 3.19Å; K432-E438 IonicContact NZ-OE2 2.76Å; K432-E438 PolarHBondContact NZ-OE2 2.78Å
433L86.9Confident90.9Very high50 Ų5054.6 Ų54.626%0.26227%0.267SS..PPolyproline II helixtrans-70.2127.5168.6-60.9-178.4000109.4E203 E398 Y424 I431E203-L433 HydrophobicContact CB-CD1 4.42Å; E203-L433 HydrophobicContact CB-CD2 4.49Å; E203-L433 HydrophobicContact CG-CD1 4.42Å; E203-L433 HydrophobicContact CG-CD2 3.9Å; E398-L433 HydrophobicContact CB-CD1 4.16Å; E398-L433 HydrophobicContact CG-CD1 3.85Å; Y424-L433 HydrophobicContact CD2-CD1 4.13Å; Y424-L433 HydrophobicContact CD2-CD2 4.31Å; I431-L433 HydrophobicContact CG2-CD2 4.48Å
434P88Confident91Very high43 Ų4354.1 Ų54.128%0.27926%0.264SS..PPolyproline II helixtrans-68.6148.4177.428.3-33.4000110.9E438P434-E438 HydrophobicContact CB-CB 4.02Å
435D89.6Confident91Very high46 Ų4653.2 Ų53.225%0.24626%0.26CS..PPolyproline II helixtrans-62.1151.8167.6-169.657.3000109.6K43 W50 Y437 E438 R439K43-D435 VanDerWaalsContact NZ-CG 3.33Å; K43-D435 IonicContact NZ-OD1 3.96Å; K43-D435 PolarHBondContact NZ-OD1 2.71Å; K43-D435 IonicContact NZ-OD2 2.76Å; K43-D435 PolarHBondContact NZ-OD2 3.09Å; W50-D435 HydrophobicContact CZ3-CB 4.28Å; D435-Y437 PolarHBondContact O-N 2.86Å; D435-Y437 VanDerWaalsContact O-N 3.14Å; D435-E438 HydrophobicContact CB-CG 4.29Å; D435-E438 WeakPolarHBondContact CB-OE1 3.43Å; D435-E438 PolarHBondContact N-OE1 2.72Å; D435-E438 WeakPolarHBondContact O-CB 3.42Å; D435-E438 PolarHBondContact O-N 3.24Å; D435-R439 PolarHBondContact O-N 3.13Å
436A91.9Very high91.1Very high4 Ų453 Ų533%0.03326%0.255CS..Hα-helixtrans-55.9-36.7-178.800000113H198 G201 K202 R439 L440H198-A436 HydrophobicContact CB-CB 4.3Å; H198-A436 WeakPolarHBondContact O-CB 3.14Å; G201-A436 WeakPolarHBondContact O-CA 3.13Å; K202-A436 HydrophobicContact CG-CB 4.33Å; A436-R439 PolarHBondContact O-N 2.87Å; A436-L440 VanDerWaalsContact O-CG 3.26Å; A436-L440 WeakPolarHBondContact O-CG 3.24Å; A436-L440 PolarHBondContact O-N 2.81Å
437Y93.9Very high91.2Very high22 Ų2248.3 Ų48.39%0.08624%0.241CC..Hα-helixtrans-68.7-33.3177.1-76.1-83.6000113.1K43 T47 Y134 E167 I196 H198 D435 R439 L440 I441K43-Y437 HydrophobicContact CD-CD2 4.35Å; T47-Y437 VanDerWaalsContact CG2-C 3.43Å; Y134-Y437 WeakPolarHBondContact OH-CD1 3.36Å; Y134-Y437 WeakPolarHBondContact OH-CE1 3.3Å; E167-Y437 VanDerWaalsContact OE1-CE1 3.29Å; E167-Y437 WeakPolarHBondContact OE1-CE1 3.48Å; E167-Y437 PolarHBondContact OE1-OH 2.99Å; I196-Y437 HydrophobicContact CD1-CE1 4.35Å; I196-Y437 HydrophobicContact CG2-CE1 4.19Å; H198-Y437 HydrophobicContact CB-CE2 4.01Å; D435-Y437 PolarHBondContact O-N 2.86Å; D435-Y437 VanDerWaalsContact O-N 3.14Å; Y437-R439 VanDerWaalsContact C-N 3.28Å; Y437-R439 PolarHBondContact O-N 2.97Å; Y437-L440 PolarHBondContact O-N 2.97Å; Y437-I441 WeakPolarHBondContact O-CB 3.41Å; Y437-I441 VanDerWaalsContact O-CG1 3.31Å; Y437-I441 WeakPolarHBondContact O-CG1 3.26Å; Y437-I441 PolarHBondContact O-N 3.47Å
438E93.8Very high91.2Very high11 Ų1143.5 Ų43.55%0.05123%0.229CC..Hα-helixtrans-58.3-47.6175.4-69.4174.7-93.500109T47 W50 L51 K432 P434 D435 L442T47-E438 VanDerWaalsContact CG2-CA 3.44Å; T47-E438 HydrophobicContact CG2-CB 4.2Å; T47-E438 HydrophobicContact CG2-CG 3.8Å; T47-E438 VanDerWaalsContact CG2-N 3.34Å; W50-E438 HydrophobicContact CB-CG 4.33Å; W50-E438 VanDerWaalsContact CB-OE2 3.26Å; W50-E438 WeakPolarHBondContact CB-OE2 3.45Å; W50-E438 VanDerWaalsContact CE3-CD 3.47Å; W50-E438 HydrophobicContact CE3-CG 3.63Å; W50-E438 HydrophobicContact CZ3-CG 4.38Å; L51-E438 HydrophobicContact CD2-CB 4.21Å; K432-E438 IonicContact NZ-OE1 3.19Å; K432-E438 IonicContact NZ-OE2 2.76Å; K432-E438 PolarHBondContact NZ-OE2 2.78Å; P434-E438 HydrophobicContact CB-CB 4.02Å; D435-E438 HydrophobicContact CB-CG 4.29Å; D435-E438 WeakPolarHBondContact CB-OE1 3.43Å; D435-E438 PolarHBondContact N-OE1 2.72Å; D435-E438 WeakPolarHBondContact O-CB 3.42Å; D435-E438 PolarHBondContact O-N 3.24Å; E438-L442 WeakPolarHBondContact O-CB 3.29Å; E438-L442 PolarHBondContact O-N 3.25Å
439R93.6Very high91.3Very high44 Ų4439.9 Ų39.917%0.16622%0.215CC..Hα-helixtrans-66.2-49.6179.1-168.1163.5-61.4-1625.5112.7E203 Q206 D435 A436 Y437 I441 L442 D443E203-R439 IonicContact OE1-NH1 3.6Å; E203-R439 IonicContact OE2-CZ 3.74Å; E203-R439 IonicContact OE2-NH1 2.67Å; E203-R439 PolarHBondContact OE2-NH1 3.23Å; E203-R439 IonicContact OE2-NH2 3.05Å; E203-R439 PolarHBondContact OE2-NH2 3.2Å; Q206-R439 VanDerWaalsContact CD-CD 3.5Å; Q206-R439 VanDerWaalsContact OE1-CD 3.27Å; D435-R439 PolarHBondContact O-N 3.13Å; A436-R439 PolarHBondContact O-N 2.87Å; Y437-R439 VanDerWaalsContact C-N 3.28Å; Y437-R439 PolarHBondContact O-N 2.97Å; R439-I441 PolarHBondContact O-N 3.13Å; R439-L442 WeakPolarHBondContact O-CB 3.45Å; R439-L442 PolarHBondContact O-N 2.65Å; R439-D443 PolarHBondContact O-N 2.92Å
440L95.6Very high91.7Very high0 Ų032.7 Ų32.70%019%0.185CC..Hα-helixtrans-65.7-42.5-176.1-67.6173.6000111.9I196 A436 Y437 L442 D443 V444 N451 F452I196-L440 HydrophobicContact CD1-CB 4.11Å; I196-L440 HydrophobicContact CD1-CD1 4.07Å; I196-L440 HydrophobicContact CG2-CD1 4.28Å; A436-L440 VanDerWaalsContact O-CG 3.26Å; A436-L440 WeakPolarHBondContact O-CG 3.24Å; A436-L440 PolarHBondContact O-N 2.81Å; Y437-L440 PolarHBondContact O-N 2.97Å; L440-L442 VanDerWaalsContact C-N 3.3Å; L440-L442 PolarHBondContact O-N 2.54Å; L440-D443 PolarHBondContact O-N 3.14Å; L440-V444 VanDerWaalsContact O-CG2 3.26Å; L440-V444 WeakPolarHBondContact O-CG2 3.44Å; L440-V444 PolarHBondContact O-N 3.31Å; L440-V444 VanDerWaalsContact O-N 3.16Å; L440-N451 HydrophobicContact CD2-CB 3.6Å; L440-N451 WeakPolarHBondContact CD2-O 3.31Å; L440-F452 HydrophobicContact CB-CE1 4.33Å; L440-F452 HydrophobicContact CB-CZ 3.96Å; L440-F452 HydrophobicContact CD2-CE1 4.24Å; L440-F452 HydrophobicContact CD2-CE2 4.16Å; L440-F452 HydrophobicContact CD2-CZ 3.87Å; L440-F452 VanDerWaalsContact O-CZ 3.32Å; L440-F452 WeakPolarHBondContact O-CZ 3.3Å
441I96.4Very high92.2Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-63.2-41.9177.6-67.4179.2000110.3L30 T47 L48 L51 Y134 Y437 R439 D443 V444 F445L30-I441 HydrophobicContact CD1-CG2 4.35Å; T47-I441 HydrophobicContact CG2-CD1 3.77Å; L48-I441 HydrophobicContact CD2-CD1 4.17Å; L48-I441 HydrophobicContact CD2-CG2 3.84Å; L51-I441 HydrophobicContact CD1-CB 3.97Å; L51-I441 HydrophobicContact CD1-CG2 3.78Å; Y134-I441 HydrophobicContact CD2-CD1 4.42Å; Y134-I441 HydrophobicContact CE2-CD1 3.89Å; Y134-I441 HydrophobicContact CE2-CG1 4.09Å; Y437-I441 WeakPolarHBondContact O-CB 3.41Å; Y437-I441 VanDerWaalsContact O-CG1 3.31Å; Y437-I441 WeakPolarHBondContact O-CG1 3.26Å; Y437-I441 PolarHBondContact O-N 3.47Å; R439-I441 PolarHBondContact O-N 3.13Å; I441-D443 PolarHBondContact O-N 3.48Å; I441-V444 WeakPolarHBondContact O-CB 3.17Å; I441-V444 PolarHBondContact O-N 2.93Å; I441-V444 VanDerWaalsContact O-N 3.15Å; I441-F445 HydrophobicContact CG2-CD2 4.15Å; I441-F445 HydrophobicContact CG2-CE2 3.88Å; I441-F445 WeakPolarHBondContact O-CD2 3.45Å; I441-F445 PolarHBondContact O-N 3.33Å
442L94.7Very high92.8Very high21 Ų2127.3 Ų27.311%0.1115%0.15CC..Hα-helixtrans-60-45.3175.617962.4000112.1V16 L51 L56 E438 R439 L440 V444 F445 C446V16-L442 HydrophobicContact CG1-CD1 4.3Å; V16-L442 HydrophobicContact CG1-CD2 3.98Å; L51-L442 HydrophobicContact CD2-CB 4.26Å; L56-L442 HydrophobicContact CB-CD1 4.39Å; L56-L442 WeakPolarHBondContact O-CD1 3.33Å; E438-L442 WeakPolarHBondContact O-CB 3.29Å; E438-L442 PolarHBondContact O-N 3.25Å; R439-L442 WeakPolarHBondContact O-CB 3.45Å; R439-L442 PolarHBondContact O-N 2.65Å; L440-L442 VanDerWaalsContact C-N 3.3Å; L440-L442 PolarHBondContact O-N 2.54Å; L442-V444 PolarHBondContact O-N 3.48Å; L442-F445 WeakPolarHBondContact O-CB 3.34Å; L442-F445 PolarHBondContact O-N 3.21Å; L442-C446 PolarHBondContact O-N 3.01Å; L442-C446 PolarHBondContact O-SG 3.25Å
443D94.6Very high93.4Very high22 Ų2222 Ų2212%0.11813%0.127CC..Hα-helixtrans-56.2-34.6176.3-74-10.7000111.5R439 L440 I441 C446 G447 V448 N451 F452R439-D443 PolarHBondContact O-N 2.92Å; L440-D443 PolarHBondContact O-N 3.14Å; I441-D443 PolarHBondContact O-N 3.48Å; D443-C446 CarbonylContact O-C 3.32Å; D443-C446 PolarHBondContact O-N 3.48Å; D443-G447 PolarHBondContact O-N 2.93Å; D443-V448 HydrophobicContact CB-CB 4.29Å; D443-V448 PolarHBondContact O-N 3.27Å; D443-N451 PolarHBondContact OD2-ND2 3.27Å; D443-F452 HydrophobicContact CB-CE2 3.75Å; D443-F452 HydrophobicContact CB-CZ 4.3Å
444V96.3Very high93.8Very high0 Ų020.7 Ų20.70%012%0.118CC..Hα-helixtrans-70.1-34.4176.5-176.40000112.1I132 R163 I165 Y194 L440 I441 L442 F452I132-V444 HydrophobicContact CD1-CG1 3.99Å; I132-V444 HydrophobicContact CG1-CG1 4.21Å; I132-V444 HydrophobicContact CG2-CG1 4.19Å; R163-V444 HydrophobicContact CB-CG1 4.13Å; R163-V444 WeakPolarHBondContact CD-O 3.37Å; R163-V444 PolarHBondContact NH1-O 3.21Å; I165-V444 HydrophobicContact CD1-CB 4.01Å; I165-V444 HydrophobicContact CD1-CG1 3.9Å; I165-V444 HydrophobicContact CD1-CG2 3.68Å; I165-V444 HydrophobicContact CG1-CB 4.3Å; I165-V444 HydrophobicContact CG1-CG1 3.86Å; I165-V444 HydrophobicContact CG1-CG2 3.75Å; Y194-V444 HydrophobicContact CD1-CB 4.1Å; Y194-V444 HydrophobicContact CD1-CG1 4.16Å; Y194-V444 HydrophobicContact CD1-CG2 3.42Å; Y194-V444 VanDerWaalsContact CD1-CG2 3.42Å; Y194-V444 HydrophobicContact CD2-CG1 4.28Å; Y194-V444 HydrophobicContact CE1-CB 4.28Å; Y194-V444 HydrophobicContact CE1-CG1 4.32Å; Y194-V444 HydrophobicContact CE1-CG2 4.05Å; Y194-V444 HydrophobicContact CE2-CG1 4.49Å; Y194-V444 HydrophobicContact CG-CG1 4.15Å; Y194-V444 HydrophobicContact CG-CG2 3.83Å; L440-V444 VanDerWaalsContact O-CG2 3.26Å; L440-V444 WeakPolarHBondContact O-CG2 3.44Å; L440-V444 PolarHBondContact O-N 3.31Å; L440-V444 VanDerWaalsContact O-N 3.16Å; I441-V444 WeakPolarHBondContact O-CB 3.17Å; I441-V444 PolarHBondContact O-N 2.93Å; I441-V444 VanDerWaalsContact O-N 3.15Å; L442-V444 PolarHBondContact O-N 3.48Å; V444-F452 HydrophobicContact CG2-CE1 3.94Å; V444-F452 HydrophobicContact CG2-CE2 4.24Å; V444-F452 HydrophobicContact CG2-CZ 3.48Å; V444-F452 VanDerWaalsContact CG2-CZ 3.48Å
445F94.2Very high94.2Very high6 Ų619.9 Ų19.93%0.02611%0.113CC..Hα-helixtrans-66.6-43.4171.8-81.5-89.9000110.6H28 L30 L57 P58 T61 I132 R163 I441 L442 G447H28-F445 HydrophobicContact CB-CD1 4.44Å; H28-F445 HydrophobicContact CB-CE1 3.89Å; L30-F445 HydrophobicContact CB-CZ 4.41Å; L30-F445 HydrophobicContact CD1-CE2 3.82Å; L30-F445 HydrophobicContact CD1-CZ 3.95Å; L57-F445 HydrophobicContact CD2-CD2 3.95Å; L57-F445 HydrophobicContact CD2-CE2 3.72Å; L57-F445 HydrophobicContact CD2-CG 4.47Å; L57-F445 HydrophobicContact CD2-CZ 4.03Å; P58-F445 HydrophobicContact CG-CD1 3.95Å; T61-F445 HydrophobicContact CG2-CE1 3.91Å; T61-F445 HydrophobicContact CG2-CZ 3.88Å; I132-F445 HydrophobicContact CD1-CD1 3.94Å; I132-F445 HydrophobicContact CD1-CD2 3.8Å; I132-F445 HydrophobicContact CD1-CE1 3.83Å; I132-F445 HydrophobicContact CD1-CE2 3.66Å; I132-F445 HydrophobicContact CD1-CG 3.93Å; I132-F445 HydrophobicContact CD1-CZ 3.68Å; R163-F445 PolarHBondContact NH1-O 3.41Å; I441-F445 HydrophobicContact CG2-CD2 4.15Å; I441-F445 HydrophobicContact CG2-CE2 3.88Å; I441-F445 WeakPolarHBondContact O-CD2 3.45Å; I441-F445 PolarHBondContact O-N 3.33Å; L442-F445 WeakPolarHBondContact O-CB 3.34Å; L442-F445 PolarHBondContact O-N 3.21Å; F445-G447 VanDerWaalsContact C-N 3.25Å; F445-G447 PolarHBondContact O-N 3.45Å
446C92Very high94.6Very high48 Ų4819.4 Ų19.432%0.32411%0.111SC..Hα-helixtrans-73.5-12.2179.2-60.10000114.1L442 D443 V448L442-C446 PolarHBondContact O-N 3.01Å; L442-C446 PolarHBondContact O-SG 3.25Å; D443-C446 CarbonylContact O-C 3.32Å; D443-C446 PolarHBondContact O-N 3.48Å; C446-V448 VanDerWaalsContact C-N 3.35Å; C446-V448 HydrophobicContact CB-CG2 4.02Å
447G93Very high94.8Very high27 Ų2719.2 Ų19.228%0.27811%0.11SC..THydrogen-bonded Turntrans76.421.1-178.100000114.3R163 Y194 D443 F445R163-G447 VanDerWaalsContact NH2-CA 3.33Å; Y194-G447 WeakPolarHBondContact OH-CA 3.45Å; D443-G447 PolarHBondContact O-N 2.93Å; F445-G447 VanDerWaalsContact C-N 3.25Å; F445-G447 PolarHBondContact O-N 3.45Å
448V92.8Very high95Very high57 Ų5718.4 Ų18.435%0.34511%0.106SC..  trans-92119.4-178178.20000109.5D443 C446 F452D443-V448 HydrophobicContact CB-CB 4.29Å; D443-V448 PolarHBondContact O-N 3.27Å; C446-V448 VanDerWaalsContact C-N 3.35Å; C446-V448 HydrophobicContact CB-CG2 4.02Å; V448-F452 WeakPolarHBondContact O-CE2 3.32Å
449Q94.1Very high95.2Very high11 Ų1120.8 Ų20.85%0.05112%0.117CC..  trans-1003.5-178.2-65.2-163.1-53.400114.9E190 E191 I193 Y194 A278 N451 F452E190-Q449 PolarHBondContact O-NE2 2.88Å; E191-Q449 PolarHBondContact O-NE2 2.85Å; I193-Q449 PolarHBondContact O-NE2 2.94Å; Y194-Q449 HydrophobicContact CD1-CG 4.41Å; Y194-Q449 HydrophobicContact CE1-CG 3.71Å; Y194-Q449 HydrophobicContact CE2-CG 4.38Å; A278-Q449 HydrophobicContact CB-CB 4.3Å; Q449-N451 PolarHBondContact O-N 2.82Å; Q449-F452 PolarHBondContact O-N 2.81Å; Q449-F452 VanDerWaalsContact O-N 3.11Å
450T92.8Very high95.4Very high23 Ų2319.7 Ų19.714%0.14111%0.114CC..THydrogen-bonded Turntrans-55.6-38.3-174.2-51.30000113.1A278 I281A278-T450 WeakPolarHBondContact CA-OG1 3.08Å; A278-T450 WeakPolarHBondContact CB-OG1 3.46Å; I281-T450 HydrophobicContact CB-CG2 4.38Å; I281-T450 HydrophobicContact CD1-CG2 3.58Å; I281-T450 HydrophobicContact CG2-CG2 4.17Å
451N93.8Very high95.5Very high22 Ų2219.7 Ų19.712%0.11811%0.114CC..THydrogen-bonded Turntrans-97.518.5-175.5-57.4-49.9000113.3L200 Q206 L440 D443 Q449L200-N451 HydrophobicContact CB-CB 4.14Å; L200-N451 WeakPolarHBondContact CB-O 3.27Å; L200-N451 VanDerWaalsContact CD1-O 3.29Å; L200-N451 WeakPolarHBondContact CD1-O 3.35Å; Q206-N451 PolarHBondContact NE2-ND2 2.85Å; Q206-N451 PolarHBondContact NE2-OD1 3.33Å; L440-N451 HydrophobicContact CD2-CB 3.6Å; L440-N451 WeakPolarHBondContact CD2-O 3.31Å; D443-N451 PolarHBondContact OD2-ND2 3.27Å; Q449-N451 PolarHBondContact O-N 2.82Å
452F96.3Very high95.6Very high1 Ų119.9 Ų19.90%0.00412%0.115CC..BIsolated β-bridgetrans-118.7146.3179.6-64.7-88.5000110.9Y194 I196 L440 D443 V444 V448 Q449 R454Y194-F452 AromaticContact CD1-CD1 3.95Å; Y194-F452 HydrophobicContact CD1-CD1 3.95Å; Y194-F452 AromaticContact CD1-CD2 3.64Å; Y194-F452 HydrophobicContact CD1-CD2 3.64Å; Y194-F452 AromaticContact CD1-CE1 3.91Å; Y194-F452 HydrophobicContact CD1-CE1 3.91Å; Y194-F452 AromaticContact CD1-CE2 3.59Å; Y194-F452 HydrophobicContact CD1-CE2 3.59Å; Y194-F452 AromaticContact CD1-CG 3.81Å; Y194-F452 HydrophobicContact CD1-CG 3.81Å; Y194-F452 AromaticContact CD1-CZ 3.73Å; Y194-F452 HydrophobicContact CD1-CZ 3.73Å; Y194-F452 HydrophobicContact CE1-CD2 4.23Å; Y194-F452 HydrophobicContact CE1-CE2 4.16Å; Y194-F452 HydrophobicContact CG-CD1 4.26Å; Y194-F452 HydrophobicContact CG-CE1 4.33Å; Y194-F452 HydrophobicContact CG-CG 4.4Å; I196-F452 HydrophobicContact CD1-CE1 4.16Å; I196-F452 HydrophobicContact CG1-CE1 4.45Å; L440-F452 HydrophobicContact CB-CE1 4.33Å; L440-F452 HydrophobicContact CB-CZ 3.96Å; L440-F452 HydrophobicContact CD2-CE1 4.24Å; L440-F452 HydrophobicContact CD2-CE2 4.16Å; L440-F452 HydrophobicContact CD2-CZ 3.87Å; L440-F452 VanDerWaalsContact O-CZ 3.32Å; L440-F452 WeakPolarHBondContact O-CZ 3.3Å; D443-F452 HydrophobicContact CB-CE2 3.75Å; D443-F452 HydrophobicContact CB-CZ 4.3Å; V444-F452 HydrophobicContact CG2-CE1 3.94Å; V444-F452 HydrophobicContact CG2-CE2 4.24Å; V444-F452 HydrophobicContact CG2-CZ 3.48Å; V444-F452 VanDerWaalsContact CG2-CZ 3.48Å; V448-F452 WeakPolarHBondContact O-CE2 3.32Å; Q449-F452 PolarHBondContact O-N 2.81Å; Q449-F452 VanDerWaalsContact O-N 3.11Å; F452-R454 PolarHBondContact O-N 3.06Å
453V96.3Very high95.8Very high3 Ų321.7 Ų21.72%0.01812%0.121CC..  trans-81.6120.6-175.4-157.70000110.2R195 D197 L200 Q263 E457 L458R195-V453 HydrophobicContact CB-CB 4.26Å; R195-V453 WeakPolarHBondContact CB-O 3.47Å; R195-V453 WeakPolarHBondContact CD-O 3.47Å; R195-V453 WeakPolarHBondContact CG-O 3.37Å; R195-V453 PolarHBondContact NH1-O 2.98Å; R195-V453 PolarHBondContact O-N 2.87Å; R195-V453 VanDerWaalsContact O-N 3.12Å; D197-V453 HydrophobicContact CB-CG2 3.66Å; L200-V453 HydrophobicContact CD1-CG2 4.09Å; Q263-V453 HydrophobicContact CG-CG2 4.49Å; V453-E457 HydrophobicContact CG1-CB 3.98Å; V453-E457 HydrophobicContact CG1-CG 3.59Å; V453-L458 HydrophobicContact CB-CD2 4.49Å; V453-L458 HydrophobicContact CB-CG 4.19Å; V453-L458 HydrophobicContact CG1-CD1 4.4Å; V453-L458 HydrophobicContact CG1-CD2 3.87Å; V453-L458 HydrophobicContact CG1-CG 3.59Å
454R96.4Very high95.9Very high24 Ų2420.7 Ų20.79%0.09112%0.115CC..  trans-75.6156.6178-154.7166.565.6-172.82.2111E190 D279 D283 F452 D456 E457 L458E190-R454 HydrophobicContact CG-CG 3.9Å; E190-R454 WeakPolarHBondContact OE1-CA 3.12Å; E190-R454 WeakPolarHBondContact OE1-CG 3.37Å; D279-R454 IonicContact OD1-CZ 2.7Å; D279-R454 IonicContact OD1-NH1 3.91Å; D279-R454 PolarHBondContact OD1-NH1 2.6Å; D283-R454 IonicContact OD1-CZ 2.67Å; D283-R454 IonicContact OD1-NH1 3.87Å; D283-R454 PolarHBondContact OD1-NH1 2.99Å; D283-R454 IonicContact OD1-NH2 2.71Å; D283-R454 PolarHBondContact OD1-NH2 3.46Å; F452-R454 PolarHBondContact O-N 3.06Å; R454-D456 VanDerWaalsContact CB-OD1 3.29Å; R454-D456 WeakPolarHBondContact CB-OD1 3.47Å; R454-D456 VanDerWaalsContact CG-OD1 3.28Å; R454-D456 WeakPolarHBondContact CG-OD1 3.28Å; R454-D456 IonicContact CZ-OD1 3.16Å; R454-D456 IonicContact CZ-OD2 2.6Å; R454-D456 IonicContact NE-OD1 3.26Å; R454-D456 PolarHBondContact NE-OD1 3.4Å; R454-D456 IonicContact NE-OD2 2.76Å; R454-D456 PolarHBondContact NE-OD2 2.72Å; R454-D456 IonicContact NH2-OD1 4Å; R454-D456 IonicContact NH2-OD2 3.94Å; R454-D456 PolarHBondContact NH2-OD2 3.04Å; R454-D456 PolarHBondContact O-N 3.19Å; R454-E457 HydrophobicContact CB-CB 4.31Å; R454-E457 WeakPolarHBondContact O-CB 3.22Å; R454-E457 PolarHBondContact O-N 2.98Å; R454-L458 PolarHBondContact O-N 3.42Å
455S96.7Very high96Very high25 Ų2520.7 Ų20.718%0.17512%0.115CC..Hα-helixtrans-58.6-43.2-178.443.30000113.6F177 N181 E190 L458 H459F177-S455 WeakPolarHBondContact CZ-O 3.46Å; N181-S455 WeakPolarHBondContact OD1-CB 3.47Å; E190-S455 VanDerWaalsContact CD-OG 3.27Å; E190-S455 PolarHBondContact OE1-N 3.35Å; E190-S455 PolarHBondContact OE1-OG 3.15Å; E190-S455 WeakPolarHBondContact OE2-CB 3.28Å; E190-S455 PolarHBondContact OE2-OG 2.95Å; S455-L458 PolarHBondContact O-N 2.95Å; S455-H459 PolarHBondContact O-N 3.16Å
456D97.5Very high96.2Very high37 Ų3721 Ų2120%0.19812%0.117CC..Hα-helixtrans-68.9-32.3175.859-16.6000112.7V286 R454 H459 E460V286-D456 HydrophobicContact CG1-CB 4.43Å; R454-D456 VanDerWaalsContact CB-OD1 3.29Å; R454-D456 WeakPolarHBondContact CB-OD1 3.47Å; R454-D456 VanDerWaalsContact CG-OD1 3.28Å; R454-D456 WeakPolarHBondContact CG-OD1 3.28Å; R454-D456 IonicContact CZ-OD1 3.16Å; R454-D456 IonicContact CZ-OD2 2.6Å; R454-D456 IonicContact NE-OD1 3.26Å; R454-D456 PolarHBondContact NE-OD1 3.4Å; R454-D456 IonicContact NE-OD2 2.76Å; R454-D456 PolarHBondContact NE-OD2 2.72Å; R454-D456 IonicContact NH2-OD1 4Å; R454-D456 IonicContact NH2-OD2 3.94Å; R454-D456 PolarHBondContact NH2-OD2 3.04Å; R454-D456 PolarHBondContact O-N 3.19Å; D456-H459 WeakPolarHBondContact O-CB 3.47Å; D456-H459 PolarHBondContact O-N 3.39Å; D456-E460 WeakPolarHBondContact O-CG 3.34Å; D456-E460 PolarHBondContact O-N 2.87Å; D456-E460 VanDerWaalsContact O-N 3.08Å
457E97.1Very high96.5Very high0 Ų021.6 Ų21.60%012%0.121CC..Hα-helixtrans-63.3-46.5172.3177.2162.3-150.700112.2Q263 S266 K285 V286 L289 V453 R454 H459 E460 A461Q263-E457 PolarHBondContact NE2-OE1 3.33Å; Q263-E457 VanDerWaalsContact OE1-CD 3.31Å; Q263-E457 PolarHBondContact OE1-OE1 3.37Å; S266-E457 PolarHBondContact OG-OE1 2.83Å; K285-E457 WeakPolarHBondContact CE-OE1 3.37Å; K285-E457 IonicContact NZ-OE1 3.93Å; K285-E457 PolarHBondContact NZ-OE1 3.06Å; K285-E457 IonicContact NZ-OE2 3.66Å; K285-E457 PolarHBondContact NZ-OE2 2.85Å; V286-E457 HydrophobicContact CG2-CB 3.83Å; L289-E457 HydrophobicContact CD1-CG 3.7Å; V453-E457 HydrophobicContact CG1-CB 3.98Å; V453-E457 HydrophobicContact CG1-CG 3.59Å; R454-E457 HydrophobicContact CB-CB 4.31Å; R454-E457 WeakPolarHBondContact O-CB 3.22Å; R454-E457 PolarHBondContact O-N 2.98Å; E457-H459 VanDerWaalsContact C-N 3.34Å; E457-E460 PolarHBondContact O-N 2.64Å; E457-A461 WeakPolarHBondContact O-CB 3.28Å; E457-A461 PolarHBondContact O-N 2.88Å
458L96.9Very high96.7Very high4 Ų420.4 Ų20.42%0.02111%0.108CC..Hα-helixtrans-65.2-37.8174.8-79.2172.8000112.4F170 F177 V453 R454 S455 E460 A461 W462F170-L458 HydrophobicContact CB-CD1 3.9Å; F170-L458 HydrophobicContact CB-CD2 4.41Å; F170-L458 HydrophobicContact CD1-CD1 4.48Å; F170-L458 HydrophobicContact CD2-CD1 3.77Å; F170-L458 HydrophobicContact CD2-CD2 3.85Å; F170-L458 HydrophobicContact CD2-CG 4.5Å; F170-L458 HydrophobicContact CE2-CD1 4.45Å; F170-L458 HydrophobicContact CG-CD1 3.79Å; F170-L458 HydrophobicContact CG-CD2 4.46Å; F177-L458 HydrophobicContact CD2-CB 4.18Å; F177-L458 HydrophobicContact CD2-CD1 4.37Å; F177-L458 HydrophobicContact CE1-CB 3.96Å; F177-L458 HydrophobicContact CE2-CB 3.43Å; F177-L458 VanDerWaalsContact CE2-CB 3.43Å; F177-L458 HydrophobicContact CE2-CD1 3.54Å; F177-L458 HydrophobicContact CE2-CG 4.1Å; F177-L458 HydrophobicContact CZ-CB 3.3Å; F177-L458 HydrophobicContact CZ-CD1 4.13Å; F177-L458 HydrophobicContact CZ-CG 4.36Å; V453-L458 HydrophobicContact CB-CD2 4.49Å; V453-L458 HydrophobicContact CB-CG 4.19Å; V453-L458 HydrophobicContact CG1-CD1 4.4Å; V453-L458 HydrophobicContact CG1-CD2 3.87Å; V453-L458 HydrophobicContact CG1-CG 3.59Å; R454-L458 PolarHBondContact O-N 3.42Å; S455-L458 PolarHBondContact O-N 2.95Å; L458-E460 PolarHBondContact O-N 3.01Å; L458-A461 PolarHBondContact O-N 3.29Å; L458-W462 VanDerWaalsContact O-CD1 3.24Å; L458-W462 PolarHBondContact O-N 3.38Å
459H97.7Very high96.9Very high61 Ų6118 Ų1828%0.2829%0.093SC..Hα-helixtrans-57.5-49.7176.3-175.594.7000110.9F177 N178 S455 D456 E457 W462 R463F177-H459 HydrophobicContact CE1-CB 3.88Å; N178-H459 PolarHBondContact OD1-ND1 2.87Å; S455-H459 PolarHBondContact O-N 3.16Å; D456-H459 WeakPolarHBondContact O-CB 3.47Å; D456-H459 PolarHBondContact O-N 3.39Å; E457-H459 VanDerWaalsContact C-N 3.34Å; H459-W462 PolarHBondContact O-N 2.75Å; H459-R463 WeakPolarHBondContact O-CB 3.3Å; H459-R463 PolarHBondContact O-N 2.93Å
460E98.2Very high97.1Very high22 Ų2221.3 Ų21.310%0.10311%0.107CC..Hα-helixtrans-67-40.5179.4-66.1-60.6140.200112.3L289 R290 D456 E457 L458 W462 R463 I464L289-E460 HydrophobicContact CB-CB 3.58Å; L289-E460 HydrophobicContact CB-CG 4.31Å; L289-E460 HydrophobicContact CD1-CB 4.33Å; R290-E460 WeakPolarHBondContact CA-OE2 3.01Å; R290-E460 VanDerWaalsContact CG-CD 3.49Å; R290-E460 HydrophobicContact CG-CG 3.79Å; D456-E460 WeakPolarHBondContact O-CG 3.34Å; D456-E460 PolarHBondContact O-N 2.87Å; D456-E460 VanDerWaalsContact O-N 3.08Å; E457-E460 PolarHBondContact O-N 2.64Å; L458-E460 PolarHBondContact O-N 3.01Å; E460-W462 VanDerWaalsContact C-N 3.27Å; E460-W462 PolarHBondContact O-N 2.86Å; E460-R463 PolarHBondContact O-N 3.04Å; E460-R463 VanDerWaalsContact O-N 3.17Å; E460-R463 IonicContact OE1-NE 3.48Å; E460-R463 IonicContact OE2-CZ 3.31Å; E460-R463 IonicContact OE2-NE 3.63Å; E460-R463 PolarHBondContact OE2-NE 2.64Å; E460-R463 IonicContact OE2-NH2 3.43Å; E460-R463 PolarHBondContact OE2-NH2 3.45Å; E460-I464 WeakPolarHBondContact O-CD1 3.21Å; E460-I464 VanDerWaalsContact O-CG1 3.24Å; E460-I464 WeakPolarHBondContact O-CG1 3.23Å; E460-I464 PolarHBondContact O-N 3.48Å
461A97.9Very high97.3Very high0 Ų025.2 Ų25.20%012%0.12CC..Hα-helixtrans-56.6-43174.300000111.8I262 E457 L458 L465I262-A461 HydrophobicContact CD1-CB 4.21Å; I262-A461 HydrophobicContact CG2-CB 3.86Å; E457-A461 WeakPolarHBondContact O-CB 3.28Å; E457-A461 PolarHBondContact O-N 2.88Å; L458-A461 PolarHBondContact O-N 3.29Å; A461-L465 PolarHBondContact O-N 2.81Å
462W98.2Very high97.4Very high3 Ų324.9 Ų24.91%0.01112%0.119CC..Hα-helixtrans-71.9-37.5175.1-78.5122.9000113.3F170 G171 R172 L174 F177 R254 Q258 L458 H459 E460 I464 L465 T466 L469F170-W462 PolarHBondContact O-NE1 3.37Å; G171-W462 WeakPolarHBondContact O-CZ2 2.92Å; R172-W462 VanDerWaalsContact C-CZ3 3.49Å; R172-W462 WeakPolarHBondContact O-CH2 3.21Å; R172-W462 VanDerWaalsContact O-CZ3 3.23Å; R172-W462 WeakPolarHBondContact O-CZ3 2.87Å; L174-W462 HydrophobicContact CB-CB 4.01Å; L174-W462 HydrophobicContact CD1-CB 3.86Å; F177-W462 HydrophobicContact CB-CG 4.17Å; F177-W462 AromaticContact CD1-CD1 3.8Å; F177-W462 AromaticContact CD2-CD1 3.95Å; F177-W462 AromaticContact CD2-NE1 3.96Å; F177-W462 AromaticContact CG-CD1 3.39Å; F177-W462 HydrophobicContact CG-CG 4.45Å; F177-W462 AromaticContact CG-NE1 3.73Å; R254-W462 HydrophobicContact CB-CH2 4.45Å; R254-W462 HydrophobicContact CG-CH2 4.05Å; R254-W462 HydrophobicContact CG-CZ3 4.25Å; Q258-W462 HydrophobicContact CB-CH2 4.5Å; Q258-W462 HydrophobicContact CG-CD2 3.86Å; Q258-W462 HydrophobicContact CG-CE3 3.8Å; Q258-W462 HydrophobicContact CG-CH2 3.78Å; Q258-W462 HydrophobicContact CG-CZ2 3.85Å; Q258-W462 HydrophobicContact CG-CZ3 3.76Å; Q258-W462 VanDerWaalsContact NE2-CE2 3.34Å; L458-W462 VanDerWaalsContact O-CD1 3.24Å; L458-W462 PolarHBondContact O-N 3.38Å; H459-W462 PolarHBondContact O-N 2.75Å; E460-W462 VanDerWaalsContact C-N 3.27Å; E460-W462 PolarHBondContact O-N 2.86Å; W462-I464 PolarHBondContact O-N 2.86Å; W462-L465 PolarHBondContact O-N 3.09Å; W462-T466 WeakPolarHBondContact O-CB 3.44Å; W462-T466 PolarHBondContact O-N 2.7Å; W462-T466 PolarHBondContact O-OG1 3.3Å; W462-L469 HydrophobicContact CE3-CD1 4.43Å; W462-L469 HydrophobicContact CZ3-CD1 3.81Å
463R98.3Very high97.4Very high60 Ų6029.1 Ų29.123%0.22614%0.138CC..Hα-helixtrans-57.9-40.2174.9-175.4-170.460.568.93.3111.2L174 L289 I292 H459 E460 P467L174-R463 HydrophobicContact CD2-CB 4.42Å; L289-R463 PolarHBondContact O-NH2 2.81Å; I292-R463 PolarHBondContact O-NH1 3.25Å; I292-R463 PolarHBondContact O-NH2 3.08Å; H459-R463 WeakPolarHBondContact O-CB 3.3Å; H459-R463 PolarHBondContact O-N 2.93Å; E460-R463 PolarHBondContact O-N 3.04Å; E460-R463 VanDerWaalsContact O-N 3.17Å; E460-R463 IonicContact OE1-NE 3.48Å; E460-R463 IonicContact OE2-CZ 3.31Å; E460-R463 IonicContact OE2-NE 3.63Å; E460-R463 PolarHBondContact OE2-NE 2.64Å; E460-R463 IonicContact OE2-NH2 3.43Å; E460-R463 PolarHBondContact OE2-NH2 3.45Å; R463-P467 WeakPolarHBondContact O-CD 3.12Å
464I98.4Very high97.4Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-65.9-41.9179.5-66.1160000111.4L289 I292 P294 L295 L340 E460 W462L289-I464 HydrophobicContact CB-CD1 4.31Å; L289-I464 HydrophobicContact CD2-CD1 4.19Å; I292-I464 HydrophobicContact CB-CD1 3.77Å; I292-I464 HydrophobicContact CB-CG1 4.1Å; I292-I464 HydrophobicContact CD1-CD1 4.11Å; I292-I464 HydrophobicContact CG2-CD1 3.89Å; I292-I464 HydrophobicContact CG2-CG1 3.96Å; I292-I464 HydrophobicContact CG2-CG2 3.95Å; P294-I464 WeakPolarHBondContact CA-O 3.38Å; L295-I464 PolarHBondContact N-O 2.66Å; L340-I464 HydrophobicContact CD1-CG2 4.39Å; L340-I464 HydrophobicContact CD2-CG2 3.98Å; E460-I464 WeakPolarHBondContact O-CD1 3.21Å; E460-I464 VanDerWaalsContact O-CG1 3.24Å; E460-I464 WeakPolarHBondContact O-CG1 3.23Å; E460-I464 PolarHBondContact O-N 3.48Å; W462-I464 PolarHBondContact O-N 2.86Å
465L98.2Very high97.4Very high1 Ų138.4 Ų38.41%0.00519%0.19CC..Hα-helixtrans-101.4-23.2-168.9-63.5177.6000115.3I253 V257 Q258 I262 L295 A461 W462 V468 L469I253-L465 HydrophobicContact CG2-CD1 4.22Å; V257-L465 HydrophobicContact CG1-CD1 4.25Å; V257-L465 HydrophobicContact CG1-CD2 4.43Å; Q258-L465 HydrophobicContact CB-CD1 3.54Å; Q258-L465 HydrophobicContact CG-CD1 3.95Å; I262-L465 HydrophobicContact CD1-CD1 3.57Å; I262-L465 HydrophobicContact CD1-CD2 4.41Å; I262-L465 HydrophobicContact CD1-CG 3.87Å; L295-L465 HydrophobicContact CB-CD2 4.48Å; L295-L465 HydrophobicContact CD2-CD2 3.98Å; A461-L465 PolarHBondContact O-N 2.81Å; W462-L465 PolarHBondContact O-N 3.09Å; L465-V468 VanDerWaalsContact O-CG1 3.26Å; L465-V468 WeakPolarHBondContact O-CG1 3.47Å; L465-V468 PolarHBondContact O-N 2.98Å; L465-L469 HydrophobicContact CB-CD1 4.29Å; L465-L469 WeakPolarHBondContact O-CG 3.21Å; L465-L469 PolarHBondContact O-N 3.49Å; L465-L469 VanDerWaalsContact O-N 3.09Å
466T97.9Very high97.3Very high11 Ų1144.6 Ų44.67%0.06721%0.213CC..Hα-helixtrans-58.1-42.7-175.1-65.10000113D173 L174 W462 V468 L469 K470D173-T466 HydrophobicContact CB-CG2 3.9Å; L174-T466 HydrophobicContact CB-CG2 4.22Å; L174-T466 WeakPolarHBondContact CB-OG1 3.47Å; L174-T466 PolarHBondContact N-OG1 3.15Å; W462-T466 WeakPolarHBondContact O-CB 3.44Å; W462-T466 PolarHBondContact O-N 2.7Å; W462-T466 PolarHBondContact O-OG1 3.3Å; T466-V468 PolarHBondContact O-N 3.17Å; T466-L469 PolarHBondContact O-N 2.96Å; T466-K470 HydrophobicContact CG2-CD 4.06Å; T466-K470 HydrophobicContact CG2-CG 4.25Å; T466-K470 PolarHBondContact O-N 2.98Å
467P98.1Very high97.3Very high61 Ų6144.9 Ų44.940%0.39622%0.216SC..Hα-helixtrans-60.8-43.2-179.4-3041.4000113.6P294 R463 Y471P294-P467 HydrophobicContact CB-CB 4.4Å; P294-P467 HydrophobicContact CB-CG 3.89Å; R463-P467 WeakPolarHBondContact O-CD 3.12Å; P467-Y471 WeakPolarHBondContact O-CB 3.5Å; P467-Y471 PolarHBondContact O-N 3.22Å
468V97.7Very high97.3Very high2 Ų253.1 Ų53.11%0.01225%0.252CS..Hα-helixtrans-69.4-37.8177.3750000111.7L295 I300 L465 T466 K470 Y471 L472L295-V468 HydrophobicContact CB-CB 4.48Å; L295-V468 HydrophobicContact CB-CG1 4.2Å; L295-V468 HydrophobicContact CD2-CG1 3.98Å; L295-V468 HydrophobicContact CG-CB 4.45Å; L295-V468 HydrophobicContact CG-CG1 4.18Å; I300-V468 HydrophobicContact CD1-CG1 4.46Å; I300-V468 HydrophobicContact CD1-CG2 4.1Å; I300-V468 HydrophobicContact CG2-CG2 3.95Å; L465-V468 VanDerWaalsContact O-CG1 3.26Å; L465-V468 WeakPolarHBondContact O-CG1 3.47Å; L465-V468 PolarHBondContact O-N 2.98Å; T466-V468 PolarHBondContact O-N 3.17Å; V468-K470 PolarHBondContact O-N 3.29Å; V468-Y471 PolarHBondContact O-N 3.11Å; V468-L472 HydrophobicContact CG2-CD1 4.47Å; V468-L472 HydrophobicContact CG2-CG 4.41Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.06Å; V468-L472 PolarHBondContact O-N 3.02Å
469L97.3Very high97.3Very high6 Ų653.4 Ų53.43%0.03125%0.254CS..Hα-helixtrans-59.9-47.7176.9-74169.3000111.3I253 R254 W462 L465 T466 L472 E473I253-L469 HydrophobicContact CB-CD2 3.9Å; I253-L469 HydrophobicContact CD1-CD2 4.07Å; I253-L469 HydrophobicContact CG2-CD1 4.46Å; I253-L469 HydrophobicContact CG2-CD2 3.74Å; I253-L469 HydrophobicContact CG2-CG 4.23Å; R254-L469 HydrophobicContact CG-CD1 4.07Å; R254-L469 HydrophobicContact CG-CD2 4.26Å; W462-L469 HydrophobicContact CE3-CD1 4.43Å; W462-L469 HydrophobicContact CZ3-CD1 3.81Å; L465-L469 HydrophobicContact CB-CD1 4.29Å; L465-L469 WeakPolarHBondContact O-CG 3.21Å; L465-L469 PolarHBondContact O-N 3.49Å; L465-L469 VanDerWaalsContact O-N 3.09Å; T466-L469 PolarHBondContact O-N 2.96Å; L469-L472 PolarHBondContact O-N 2.76Å; L469-E473 WeakPolarHBondContact O-CG 3.4Å; L469-E473 PolarHBondContact O-N 2.99Å; L469-E473 VanDerWaalsContact O-N 3.13Å
470K96.9Very high97.3Very high82 Ų8255.7 Ų55.736%0.35726%0.261SS..Hα-helixtrans-61.4-45175.6-71-173.4174.3-170.30111.4T466 V468 L472 E473 D474T466-K470 HydrophobicContact CG2-CD 4.06Å; T466-K470 HydrophobicContact CG2-CG 4.25Å; T466-K470 PolarHBondContact O-N 2.98Å; V468-K470 PolarHBondContact O-N 3.29Å; K470-L472 VanDerWaalsContact C-N 3.33Å; K470-L472 PolarHBondContact O-N 3.22Å; K470-E473 PolarHBondContact O-N 3.29Å; K470-D474 WeakPolarHBondContact O-CB 3.29Å; K470-D474 VanDerWaalsContact O-CG 3.24Å; K470-D474 PolarHBondContact O-N 3.06Å
471Y97.4Very high97.3Very high104 Ų10459 Ų5941%0.40828%0.284SS..Hα-helixtrans-58.1-43.9177.4-173.9-82000112.6I297 P467 V468 N475 V477I297-Y471 HydrophobicContact CB-CD1 4.07Å; I297-Y471 HydrophobicContact CB-CE1 3.94Å; I297-Y471 HydrophobicContact CD1-CD1 3.82Å; I297-Y471 HydrophobicContact CD1-CE1 3.9Å; I297-Y471 HydrophobicContact CG1-CD1 3.93Å; I297-Y471 HydrophobicContact CG1-CE1 3.59Å; I297-Y471 HydrophobicContact CG2-CE1 4.21Å; P467-Y471 WeakPolarHBondContact O-CB 3.5Å; P467-Y471 PolarHBondContact O-N 3.22Å; V468-Y471 PolarHBondContact O-N 3.11Å; Y471-N475 WeakPolarHBondContact CD2-ND2 3.44Å; Y471-N475 HydrophobicContact CE1-CB 4.3Å; Y471-N475 WeakPolarHBondContact O-CB 3.47Å; Y471-N475 PolarHBondContact O-N 2.9Å; Y471-N475 VanDerWaalsContact O-N 3.07Å; Y471-N475 PolarHBondContact O-ND2 3.38Å; Y471-V477 HydrophobicContact CD1-CG2 4.19Å; Y471-V477 HydrophobicContact CE1-CG2 3.97Å
472L96.8Very high97.3Very high16 Ų1659.2 Ų59.28%0.08429%0.285CS..Hα-helixtrans-63-41.7178.7-69.2174.9000111.9I253 I297 I302 V468 L469 K470 K476 V477I253-L472 HydrophobicContact CD1-CD1 3.76Å; I297-L472 HydrophobicContact CD1-CD2 3.69Å; I302-L472 HydrophobicContact CD1-CD1 4.48Å; I302-L472 HydrophobicContact CD1-CD2 3.73Å; I302-L472 HydrophobicContact CG1-CD2 4.46Å; I302-L472 HydrophobicContact CG2-CD1 4.25Å; V468-L472 HydrophobicContact CG2-CD1 4.47Å; V468-L472 HydrophobicContact CG2-CG 4.41Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.06Å; V468-L472 PolarHBondContact O-N 3.02Å; L469-L472 PolarHBondContact O-N 2.76Å; K470-L472 VanDerWaalsContact C-N 3.33Å; K470-L472 PolarHBondContact O-N 3.22Å; L472-K476 WeakPolarHBondContact O-CA 3.39Å; L472-K476 PolarHBondContact O-N 3.1Å; L472-K476 VanDerWaalsContact O-N 3.13Å; L472-V477 HydrophobicContact CD2-CB 3.7Å; L472-V477 HydrophobicContact CD2-CG1 4.05Å; L472-V477 HydrophobicContact CD2-CG2 3.93Å; L472-V477 PolarHBondContact O-N 3.03Å
473E94.4Very high97.3Very high90 Ų9063.2 Ų63.242%0.42131%0.306SS..Hα-helixtrans-69.9-49.4179.7-72.2169.1-179.500111.9R254 L469 K470 N475 K476R254-E473 IonicContact CZ-OE1 3.45Å; R254-E473 IonicContact NH1-OE1 3.49Å; R254-E473 PolarHBondContact NH1-OE1 3.34Å; R254-E473 IonicContact NH2-OE1 2.66Å; R254-E473 PolarHBondContact NH2-OE1 3.28Å; R254-E473 IonicContact NH2-OE2 3.5Å; L469-E473 WeakPolarHBondContact O-CG 3.4Å; L469-E473 PolarHBondContact O-N 2.99Å; L469-E473 VanDerWaalsContact O-N 3.13Å; K470-E473 PolarHBondContact O-N 3.29Å; E473-N475 PolarHBondContact O-N 3.11Å; E473-K476 PolarHBondContact O-N 3.34Å
474D96.5Very high97.2Very high130 Ų13061.4 Ų61.470%0.69530%0.299SS*.Hα-helixtrans-66-40.2-176.8-68.6-21.9000112.1K470K470-D474 WeakPolarHBondContact O-CB 3.29Å; K470-D474 VanDerWaalsContact O-CG 3.24Å; K470-D474 PolarHBondContact O-N 3.06Å
475N97.1Very high97.1Very high91 Ų9163 Ų6349%0.48732%0.316SS..THydrogen-bonded Turntrans-92.8-0.4-177.6-63.1-83.7000113.3Y471 E473 V477Y471-N475 WeakPolarHBondContact CD2-ND2 3.44Å; Y471-N475 HydrophobicContact CE1-CB 4.3Å; Y471-N475 WeakPolarHBondContact O-CB 3.47Å; Y471-N475 PolarHBondContact O-N 2.9Å; Y471-N475 VanDerWaalsContact O-N 3.07Å; Y471-N475 PolarHBondContact O-ND2 3.38Å; E473-N475 PolarHBondContact O-N 3.11Å; N475-V477 HydrophobicContact CB-CG2 3.98Å; N475-V477 PolarHBondContact O-N 3.28Å
476K95Very high96.9Very high156 Ų15664.4 Ų64.468%0.67833%0.325SS*.THydrogen-bonded Turntrans47.347.5-177.5-62.3-171.1178.6-170.20112.9I331 L472 E473 K478I331-K476 VanDerWaalsContact CD1-C 3.5Å; I331-K476 HydrophobicContact CD1-CB 3.68Å; I331-K476 HydrophobicContact CD1-CG 4.18Å; L472-K476 WeakPolarHBondContact O-CA 3.39Å; L472-K476 PolarHBondContact O-N 3.1Å; L472-K476 VanDerWaalsContact O-N 3.13Å; E473-K476 PolarHBondContact O-N 3.34Å; K476-K478 PolarHBondContact O-N 2.89Å; K476-K478 VanDerWaalsContact O-N 3.15Å
477V96.4Very high96.7Very high42 Ų4269.8 Ų69.826%0.25534%0.344SS..PPolyproline II helixtrans-62.3118.7-175-178.90000109.5I302 Y471 L472 N475I302-V477 HydrophobicContact CD1-CG1 4.2Å; Y471-V477 HydrophobicContact CD1-CG2 4.19Å; Y471-V477 HydrophobicContact CE1-CG2 3.97Å; L472-V477 HydrophobicContact CD2-CB 3.7Å; L472-V477 HydrophobicContact CD2-CG1 4.05Å; L472-V477 HydrophobicContact CD2-CG2 3.93Å; L472-V477 PolarHBondContact O-N 3.03Å; N475-V477 HydrophobicContact CB-CG2 3.98Å; N475-V477 PolarHBondContact O-N 3.28Å
478K97Very high96.2Very high173 Ų17369 Ų6975%0.75234%0.337SS*.PPolyproline II helixtrans-74.1125.5-177.6-169.4175.1-177.9176.80110.5K476K476-K478 PolarHBondContact O-N 2.89Å; K476-K478 VanDerWaalsContact O-N 3.15Å
479P98.1Very high96.1Very high11 Ų1169.6 Ų69.67%0.07134%0.343CS..PPolyproline II helixtrans-68.7148177.227-34000111.9I302 Q304 I331I302-P479 HydrophobicContact CD1-CB 4.16Å; I302-P479 HydrophobicContact CG1-CB 4.34Å; Q304-P479 HydrophobicContact CB-CB 3.87Å; Q304-P479 HydrophobicContact CB-CG 3.56Å; Q304-P479 HydrophobicContact CG-CG 4.48Å; I331-P479 WeakPolarHBondContact O-CD 3.46Å
480Y98.4Very high96.1Very high109 Ų10969.4 Ų69.443%0.42734%0.342SS..EExtended strand (participates in β ladder)trans-68.1135.1173.4-70.3-80.3000110.9V301 I302 G303 Q304 P490 E492V301-Y480 HydrophobicContact CG1-CD2 4.05Å; V301-Y480 HydrophobicContact CG1-CE2 4.48Å; I302-Y480 WeakPolarHBondContact O-CD2 3.48Å; I302-Y480 PolarHBondContact O-N 3Å; G303-Y480 CarbonylContact C-O 3.56Å; G303-Y480 WeakPolarHBondContact CA-O 3.24Å; Q304-Y480 PolarHBondContact N-O 2.96Å; Y480-P490 HydrophobicContact CG-CB 4.47Å; Y480-E492 HydrophobicContact CD1-CG 3.91Å; Y480-E492 WeakPolarHBondContact CD1-OE1 3.42Å; Y480-E492 HydrophobicContact CD2-CB 4.23Å; Y480-E492 HydrophobicContact CD2-CG 4.18Å; Y480-E492 HydrophobicContact CE1-CG 3.68Å; Y480-E492 WeakPolarHBondContact CE1-OE1 3.43Å; Y480-E492 HydrophobicContact CE2-CB 4.17Å; Y480-E492 HydrophobicContact CE2-CG 3.95Å; Y480-E492 HydrophobicContact CG-CG 4.16Å
481P97.9Very high96.1Very high90 Ų9073.6 Ų73.658%0.58436%0.361SS*.EExtended strand (participates in β ladder)trans-71.3141.6176.630.3-33.9000110.5Q304 V306Q304-P481 WeakPolarHBondContact O-CA 3.44Å; V306-P481 HydrophobicContact CG1-CB 3.99Å
482Y98.1Very high96.1Very high6 Ų671.7 Ų71.72%0.02436%0.356CS..EExtended strand (participates in β ladder)trans-138.2142.8167.967.3-87.8000111Q304 Y305 V306 T334 Y335 K358 L360 S486 G489Q304-Y482 WeakPolarHBondContact O-CD1 3.35Å; Q304-Y482 PolarHBondContact O-N 3.03Å; Q304-Y482 VanDerWaalsContact O-N 3.11Å; Y305-Y482 CarbonylContact C-O 3.52Å; Y305-Y482 VanDerWaalsContact CA-O 3.24Å; Y305-Y482 WeakPolarHBondContact CA-O 3.21Å; Y305-Y482 VanDerWaalsContact N-CE1 3.3Å; V306-Y482 WeakPolarHBondContact CG2-O 3.34Å; V306-Y482 PolarHBondContact N-O 2.91Å; T334-Y482 PolarHBondContact O-OH 2.82Å; T334-Y482 WeakPolarHBondContact OG1-CE1 3.35Å; T334-Y482 PolarHBondContact OG1-OH 3.33Å; Y335-Y482 HydrophobicContact CG-CE1 4.26Å; K358-Y482 WeakPolarHBondContact O-CE2 3.48Å; K358-Y482 PolarHBondContact O-OH 2.66Å; L360-Y482 HydrophobicContact CD2-CD2 4.28Å; L360-Y482 HydrophobicContact CD2-CE2 3.82Å; Y482-S486 WeakPolarHBondContact CD2-OG 3.23Å; Y482-G489 VanDerWaalsContact CB-C 3.49Å
483I97.3Very high96.1Very high87 Ų8771 Ų7145%0.44635%0.352SS..EExtended strand (participates in β ladder)trans-69.4137.8-177.6-64.2171.1000109.5V306 D308 G485 S486V306-I483 HydrophobicContact CG2-CG1 4.4Å; D308-I483 HydrophobicContact CB-CG2 3.6Å; I483-G485 PolarHBondContact O-N 3.3Å; I483-S486 WeakPolarHBondContact O-CB 3.44Å; I483-S486 PolarHBondContact O-N 3.37Å; I483-S486 PolarHBondContact O-OG 3.34Å
484Y96.9Very high96.1Very high22 Ų2269.7 Ų69.79%0.08635%0.348CS..THydrogen-bonded Turntrans-50.8129.6170.8-166.4-64.8000110.1P237 F238 G239 Y305 V306 A316 A359 S486P237-Y484 WeakPolarHBondContact O-CE1 3.32Å; P237-Y484 PolarHBondContact O-OH 3.49Å; F238-Y484 VanDerWaalsContact CA-OH 3.25Å; F238-Y484 WeakPolarHBondContact CA-OH 3.32Å; G239-Y484 PolarHBondContact N-OH 3.34Å; Y305-Y484 AromaticContact CD2-CD2 3.94Å; Y305-Y484 HydrophobicContact CD2-CD2 3.94Å; Y305-Y484 HydrophobicContact CE2-CD2 4.17Å; V306-Y484 PolarHBondContact O-N 3.01Å; A316-Y484 HydrophobicContact CB-CD1 3.46Å; A316-Y484 VanDerWaalsContact CB-CD1 3.46Å; A316-Y484 HydrophobicContact CB-CD2 4.44Å; A316-Y484 HydrophobicContact CB-CE1 3.8Å; A316-Y484 HydrophobicContact CB-CG 3.86Å; A359-Y484 HydrophobicContact CB-CD1 4.27Å; A359-Y484 HydrophobicContact CB-CD2 3.39Å; A359-Y484 HydrophobicContact CB-CE1 4.29Å; A359-Y484 HydrophobicContact CB-CE2 3.46Å; A359-Y484 VanDerWaalsContact CB-CE2 3.46Å; A359-Y484 HydrophobicContact CB-CG 3.81Å; Y484-S486 VanDerWaalsContact C-N 3.31Å
485G95.4Very high96.1Very high33 Ų3369.1 Ų69.134%0.3434%0.344SS..THydrogen-bonded Turntrans84.52.1-178.700000114A359 N361 I483A359-G485 PolarHBondContact O-N 2.99Å; N361-G485 WeakPolarHBondContact CA-O 3.27Å; N361-G485 WeakPolarHBondContact CB-O 3.25Å; N361-G485 PolarHBondContact N-O 3.42Å; I483-G485 PolarHBondContact O-N 3.3Å
486S94.8Very high96.1Very high30 Ų3065.5 Ų65.521%0.2132%0.324CS..BIsolated β-bridgetrans-61.5148.8172.165.40000111.9L360 N361 Y482 I483 Y484L360-S486 CarbonylContact C-O 3.55Å; L360-S486 VanDerWaalsContact CA-O 3.32Å; L360-S486 WeakPolarHBondContact CA-O 3.47Å; L360-S486 WeakPolarHBondContact CD2-O 3.32Å; N361-S486 PolarHBondContact N-O 2.8Å; Y482-S486 WeakPolarHBondContact CD2-OG 3.23Å; I483-S486 WeakPolarHBondContact O-CB 3.44Å; I483-S486 PolarHBondContact O-N 3.37Å; I483-S486 PolarHBondContact O-OG 3.34Å; Y484-S486 VanDerWaalsContact C-N 3.31Å
487R92.5Very high96.1Very high124 Ų12458.1 Ų58.147%0.46829%0.292SS..SBendtrans-72.1-43.9-174.1-173.9-178.9172.4-178.2-3.2113.7K235 N361 Y504K235-R487 WeakPolarHBondContact CE-O 3.45Å; K235-R487 PolarHBondContact NZ-O 2.95Å; N361-R487 HydrophobicContact CB-CB 4.47Å; N361-R487 VanDerWaalsContact OD1-CA 3.32Å; N361-R487 WeakPolarHBondContact OD1-CA 3.42Å; N361-R487 PolarHBondContact OD1-O 2.95Å; R487-Y504 PolarHBondContact NH1-OH 3.43Å; R487-Y504 PolarHBondContact NH2-OH 2.97Å
488N88.5Confident96.1Very high46 Ų4664 Ų6425%0.24631%0.314CS..SBendtrans-119.57.5-170.3-67.2-17.9000113.1Y335 D494Y335-N488 WeakPolarHBondContact CE2-O 3.18Å; Y335-N488 PolarHBondContact OH-O 2.81Å; N488-D494 PolarHBondContact ND2-OD1 2.65Å; N488-D494 PolarHBondContact ND2-OD2 3Å
489G95.3Very high96Very high13 Ų1363.4 Ų63.413%0.13431%0.312CS..SBendtrans71.9-140.6-172.700000112Y482Y482-G489 VanDerWaalsContact CB-C 3.49Å
490P97.4Very high95.9Very high3 Ų363.3 Ų63.32%0.01931%0.312CS..SBendtrans-68.2148.5-177.828.8-33.7000111.9V301 Y335 Y480 E492 A493V301-P490 HydrophobicContact CG1-CG 3.92Å; Y335-P490 VanDerWaalsContact CD1-CD 3.44Å; Y335-P490 HydrophobicContact CD1-CG 3.88Å; Y335-P490 HydrophobicContact CE1-CG 4.05Å; Y480-P490 HydrophobicContact CG-CB 4.47Å; P490-E492 PolarHBondContact O-N 3.13Å; P490-A493 HydrophobicContact CG-CB 4.32Å; P490-A493 WeakPolarHBondContact O-CB 3.1Å; P490-A493 PolarHBondContact O-N 3.06Å
491K96.3Very high95.7Very high170 Ų17059.3 Ų59.374%0.73930%0.303SS*.Hα-helixtrans-63.2-29.6-176.7-63.4-178.8-178.6176.60112.1A493 D494 I495K491-A493 PolarHBondContact O-N 3.04Å; K491-D494 PolarHBondContact O-N 3.29Å; K491-D494 VanDerWaalsContact O-N 3.11Å; K491-I495 PolarHBondContact O-N 3.38Å
492E97.5Very high95.5Very high64 Ų6456.3 Ų56.330%0.29928%0.281SS..Hα-helixtrans-59.8-30.8176.8-66.779.3-173.700111.7V301 Y480 P490 I495 L496V301-E492 HydrophobicContact CG1-CB 3.79Å; V301-E492 HydrophobicContact CG2-CB 4.11Å; Y480-E492 HydrophobicContact CD1-CG 3.91Å; Y480-E492 WeakPolarHBondContact CD1-OE1 3.42Å; Y480-E492 HydrophobicContact CD2-CB 4.23Å; Y480-E492 HydrophobicContact CD2-CG 4.18Å; Y480-E492 HydrophobicContact CE1-CG 3.68Å; Y480-E492 WeakPolarHBondContact CE1-OE1 3.43Å; Y480-E492 HydrophobicContact CE2-CB 4.17Å; Y480-E492 HydrophobicContact CE2-CG 3.95Å; Y480-E492 HydrophobicContact CG-CG 4.16Å; P490-E492 PolarHBondContact O-N 3.13Å; E492-I495 WeakPolarHBondContact O-CB 3.44Å; E492-I495 PolarHBondContact O-N 3.05Å; E492-L496 PolarHBondContact O-N 3.41Å
493A97.1Very high95.2Very high0 Ų060.6 Ų60.60%030%0.301CS..Hα-helixtrans-67.4-37.2176.100000112.1V301 Y335 C337 P490 K491 I495 L496 C497V301-A493 HydrophobicContact CG1-CB 4.2Å; Y335-A493 HydrophobicContact CE1-CB 3.66Å; Y335-A493 VanDerWaalsContact OH-CB 3.27Å; Y335-A493 WeakPolarHBondContact OH-CB 3.48Å; C337-A493 HydrophobicContact CB-CB 3.73Å; P490-A493 HydrophobicContact CG-CB 4.32Å; P490-A493 WeakPolarHBondContact O-CB 3.1Å; P490-A493 PolarHBondContact O-N 3.06Å; K491-A493 PolarHBondContact O-N 3.04Å; A493-I495 VanDerWaalsContact C-N 3.35Å; A493-L496 PolarHBondContact O-N 3.28Å; A493-C497 WeakPolarHBondContact O-CB 3.42Å; A493-C497 PolarHBondContact O-N 3.49Å; A493-C497 PolarHBondContact O-SG 3.11Å
494D94.8Very high94.7Very high64 Ų6463.3 Ų63.334%0.34231%0.307SS..Hα-helixtrans-69.2-35.2174.9-75.8-29.2000111.4R355 N488 K491 C497 K498R355-D494 IonicContact NH1-OD1 3.88Å; R355-D494 IonicContact NH2-OD1 3.84Å; R355-D494 PolarHBondContact NH2-OD1 2.96Å; N488-D494 PolarHBondContact ND2-OD1 2.65Å; N488-D494 PolarHBondContact ND2-OD2 3Å; K491-D494 PolarHBondContact O-N 3.29Å; K491-D494 VanDerWaalsContact O-N 3.11Å; D494-C497 PolarHBondContact O-N 2.91Å; D494-K498 WeakPolarHBondContact O-CB 3.16Å; D494-K498 PolarHBondContact O-N 2.93Å
495I96.4Very high93.9Very high118 Ų11865 Ų6561%0.60532%0.322SS*.Hα-helixtrans-63.3-48.6173.1-62.4172000110.6K491 E492 A493 C497 K498 K499K491-I495 PolarHBondContact O-N 3.38Å; E492-I495 WeakPolarHBondContact O-CB 3.44Å; E492-I495 PolarHBondContact O-N 3.05Å; A493-I495 VanDerWaalsContact C-N 3.35Å; I495-C497 VanDerWaalsContact C-N 3.31Å; I495-C497 PolarHBondContact O-N 3.47Å; I495-K498 PolarHBondContact O-N 2.93Å; I495-K499 WeakPolarHBondContact O-CB 3.22Å; I495-K499 PolarHBondContact O-N 2.77Å
496L96.9Very high93.2Very high14 Ų1465.6 Ų65.67%0.07333%0.328CS..Hα-helixtrans-59.6-42.8178.417859.2000111.3V301 V339 E492 A493 K499 A500V301-L496 HydrophobicContact CB-CD2 4.32Å; V301-L496 HydrophobicContact CG2-CB 4.04Å; V301-L496 HydrophobicContact CG2-CD2 3.84Å; V339-L496 HydrophobicContact CG2-CD1 4Å; V339-L496 HydrophobicContact CG2-CD2 4.06Å; V339-L496 HydrophobicContact CG2-CG 3.82Å; E492-L496 PolarHBondContact O-N 3.41Å; A493-L496 PolarHBondContact O-N 3.28Å; L496-K499 WeakPolarHBondContact O-CB 3.34Å; L496-K499 PolarHBondContact O-N 3.05Å; L496-A500 WeakPolarHBondContact O-CB 3.47Å; L496-A500 PolarHBondContact O-N 3.34Å
497C95.5Very high92.4Very high1 Ų168.3 Ų68.31%0.00734%0.343CS..Hα-helixtrans-69.4-39.3179.8-67.90000112.9C337 I353 R355 A493 D494 I495 K499 A500 G501 F502C337-C497 PolarHBondContact SG-SG 2.92Å; I353-C497 HydrophobicContact CD1-CB 4.25Å; I353-C497 WeakPolarHBondContact CG2-SG 3.21Å; R355-C497 PolarHBondContact NE-SG 2.76Å; R355-C497 PolarHBondContact NH2-SG 2.84Å; A493-C497 WeakPolarHBondContact O-CB 3.42Å; A493-C497 PolarHBondContact O-N 3.49Å; A493-C497 PolarHBondContact O-SG 3.11Å; D494-C497 PolarHBondContact O-N 2.91Å; I495-C497 VanDerWaalsContact C-N 3.31Å; I495-C497 PolarHBondContact O-N 3.47Å; C497-K499 VanDerWaalsContact C-N 3.3Å; C497-K499 PolarHBondContact O-N 3.03Å; C497-A500 CarbonylContact O-C 3.55Å; C497-A500 VanDerWaalsContact O-C 3.32Å; C497-A500 WeakPolarHBondContact O-CA 3.13Å; C497-A500 PolarHBondContact O-N 2.91Å; C497-A500 VanDerWaalsContact O-N 3.14Å; C497-G501 PolarHBondContact O-N 3.43Å; C497-F502 HydrophobicContact CB-CB 4.14Å; C497-F502 HydrophobicContact CB-CD1 4.44Å; C497-F502 WeakPolarHBondContact O-CB 3.4Å; C497-F502 PolarHBondContact O-N 3.32Å
498K95.3Very high92Very high165 Ų16564.9 Ų64.972%0.71733%0.331SS*.Hα-helixtrans-63.1-39.6173.8-172.3175.6-178.6177.60111.3D494 I495 A500 G501D494-K498 WeakPolarHBondContact O-CB 3.16Å; D494-K498 PolarHBondContact O-N 2.93Å; I495-K498 PolarHBondContact O-N 2.93Å; K498-A500 VanDerWaalsContact C-N 3.29Å; K498-A500 PolarHBondContact O-N 3.48Å; K498-G501 PolarHBondContact O-N 3.4Å; K498-G501 VanDerWaalsContact O-N 3.09Å
499K95.9Very high91.4Very high162 Ų16267.7 Ų67.770%0.70435%0.349SS*.Hα-helixtrans-62-37.8172.8-176.4-172.7173.9-165.20111.4I495 L496 C497 G501I495-K499 WeakPolarHBondContact O-CB 3.22Å; I495-K499 PolarHBondContact O-N 2.77Å; L496-K499 WeakPolarHBondContact O-CB 3.34Å; L496-K499 PolarHBondContact O-N 3.05Å; C497-K499 VanDerWaalsContact C-N 3.3Å; C497-K499 PolarHBondContact O-N 3.03Å; K499-G501 PolarHBondContact O-N 2.98Å
500A95.6Very high90.4Very high9 Ų973.2 Ų73.27%0.07437%0.366CS..THydrogen-bonded Turntrans-78.615.6173.300000113.8V339 P351 I353 L496 C497 K498 F502V339-A500 HydrophobicContact CG1-CB 4.05Å; V339-A500 HydrophobicContact CG2-CB 3.96Å; P351-A500 HydrophobicContact CB-CB 4.08Å; P351-A500 HydrophobicContact CG-CB 4.16Å; P351-A500 WeakPolarHBondContact CG-O 3.46Å; I353-A500 HydrophobicContact CD1-CB 4.03Å; I353-A500 HydrophobicContact CG1-CB 4.2Å; L496-A500 WeakPolarHBondContact O-CB 3.47Å; L496-A500 PolarHBondContact O-N 3.34Å; C497-A500 CarbonylContact O-C 3.55Å; C497-A500 VanDerWaalsContact O-C 3.32Å; C497-A500 WeakPolarHBondContact O-CA 3.13Å; C497-A500 PolarHBondContact O-N 2.91Å; C497-A500 VanDerWaalsContact O-N 3.14Å; K498-A500 VanDerWaalsContact C-N 3.29Å; K498-A500 PolarHBondContact O-N 3.48Å; A500-F502 VanDerWaalsContact C-N 3.34Å; A500-F502 PolarHBondContact O-N 3.01Å
501G94Very high89.1Confident24 Ų2481.2 Ų81.225%0.24740%0.4CS..THydrogen-bonded Turntrans84.9-6172.700000115.9N229 R387 C497 K498 K499 Q503N229-G501 PolarHBondContact ND2-O 3.43Å; R387-G501 PolarHBondContact NH1-O 3.49Å; C497-G501 PolarHBondContact O-N 3.43Å; K498-G501 PolarHBondContact O-N 3.4Å; K498-G501 VanDerWaalsContact O-N 3.09Å; K499-G501 PolarHBondContact O-N 2.98Å; G501-Q503 PolarHBondContact O-N 3.36Å; G501-Q503 VanDerWaalsContact O-N 3.16Å
502F94.4Very high87.6Confident28 Ų2877.4 Ų77.412%0.12340%0.396CS..  trans-64.6118.6176-179.5-103.3000110.9I353 C497 A500I353-F502 HydrophobicContact CD1-CB 3.75Å; C497-F502 HydrophobicContact CB-CB 4.14Å; C497-F502 HydrophobicContact CB-CD1 4.44Å; C497-F502 WeakPolarHBondContact O-CB 3.4Å; C497-F502 PolarHBondContact O-N 3.32Å; A500-F502 VanDerWaalsContact C-N 3.34Å; A500-F502 PolarHBondContact O-N 3.01Å
503Q91.4Very high85.5Confident95 Ų9581.1 Ų81.144%0.44445%0.451SS..  trans-103.7123.3175.6-69.4-173.6-600110.5Q370 G501Q370-Q503 PolarHBondContact NE2-O 3.37Å; G501-Q503 PolarHBondContact O-N 3.36Å; G501-Q503 VanDerWaalsContact O-N 3.16Å
504Y87.7Confident85Confident145 Ų14585.2 Ų85.257%0.56947%0.473SS*.  trans-100.9109.7170.5-179-105.4000109.2R487R487-Y504 PolarHBondContact NH1-OH 3.43Å; R487-Y504 PolarHBondContact NH2-OH 2.97Å
505S78.6Confident84.5Confident58 Ų5886.3 Ų86.341%0.40648%0.48SS..  trans-73.3-35.9-179.861.40000112.5E417 T507E417-S505 PolarHBondContact OE2-OG 3.36Å; S505-T507 VanDerWaalsContact CB-OG1 3.23Å; S505-T507 WeakPolarHBondContact CB-OG1 3.39Å; S505-T507 PolarHBondContact O-N 2.87Å; S505-T507 PolarHBondContact OG-OG1 2.93Å
506G81.3Confident83.8Confident44 Ų4484.5 Ų84.545%0.45447%0.473SS..  trans64.61.6-172.800000114.7
507T78.9Confident83Confident87 Ų8788.6 Ų88.653%0.53450%0.497SS..  trans-84-24.6-178.448.30000113E417 S505 V509E417-T507 PolarHBondContact OE2-OG1 3Å; S505-T507 VanDerWaalsContact CB-OG1 3.23Å; S505-T507 WeakPolarHBondContact CB-OG1 3.39Å; S505-T507 PolarHBondContact O-N 2.87Å; S505-T507 PolarHBondContact OG-OG1 2.93Å; T507-V509 PolarHBondContact O-N 3.03Å
508Y82.6Confident82.2Confident53 Ų5394.1 Ų94.121%0.20853%0.527CS..  trans-70.6122.9-178.4-179.3-116.7000112.1K403 E417 E419 W510K403-Y508 HydrophobicContact CD-CD1 4.28Å; K403-Y508 HydrophobicContact CD-CE1 4.25Å; K403-Y508 HydrophobicContact CD-CG 4.45Å; K403-Y508 VanDerWaalsContact CE-CD1 3.46Å; K403-Y508 HydrophobicContact CG-CE2 4.45Å; E417-Y508 HydrophobicContact CG-CD2 4.03Å; E419-Y508 WeakPolarHBondContact OE2-CE2 3.28Å; E419-Y508 VanDerWaalsContact OE2-CZ 3.31Å; E419-Y508 PolarHBondContact OE2-OH 2.94Å; Y508-W510 HydrophobicContact CE1-CB 3.79Å; Y508-W510 VanDerWaalsContact OH-CD1 3.28Å
509V76.8Confident81.4Confident105 Ų10589.4 Ų89.464%0.63651%0.514SS*.  trans-120103.6174.6-177.80000108.7T507 K511T507-V509 PolarHBondContact O-N 3.03Å; V509-K511 HydrophobicContact CG1-CG 4.4Å
510W74.8Confident80.3Confident129 Ų12984.2 Ų84.249%0.48950%0.501SS..  trans-78.6130.9169.6-173.671.8000110.2E419 Y508 S512E419-W510 VanDerWaalsContact OE1-CD1 3.25Å; Y508-W510 HydrophobicContact CE1-CB 3.79Å; Y508-W510 VanDerWaalsContact OH-CD1 3.28Å; W510-S512 VanDerWaalsContact CH2-CB 3.48Å
511K70Confident79.2Confident170 Ų17090 Ų9074%0.73953%0.534SS*.  trans-115.5121.2170.3-67-178.8-178174.30107.6V509 G513V509-K511 HydrophobicContact CG1-CG 4.4Å; K511-G513 PolarHBondContact O-N 3.09Å; K511-G513 VanDerWaalsContact O-N 3.09Å
512S64Low77.9Confident91 Ų9195.5 Ų95.564%0.63656%0.558SS**  trans-61.4114.2169.558.20000108.4W510W510-S512 VanDerWaalsContact CH2-CB 3.48Å
513G54.6Low76.4Confident141 Ų141101.6 Ų101.6100%1.45460%0.597SS**  trans-73.80176.100000113.8K511K511-G513 PolarHBondContact O-N 3.09Å; K511-G513 VanDerWaalsContact O-N 3.09Å

Retrieved 513 of 513 residues in 310.8 ms (Link to these results)

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