A0A076JSK8_KRYMA Loading...

Cryptochrome-1

AlphaFold DB , UniProt , Accession A0A076JSK8, Species KRYMA (Kryptolebias marmoratus, Mangrove killifish), Gene Cry1, Length 627 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
1M73.1Confident94.8Very high219 Ų21941.3 Ų41.3100%1.07921%0.21SC*.  0136.60-166.8172.9-16100106.1I3M1-I3 PolarHBondContact O-N 2.94Å
2V91.4Very high95Very high95 Ų9538.1 Ų38.158%0.57620%0.195SC*.  trans-74.5123.6179.1-178.30000108.5D29V2-D29 VanDerWaalsContact CA-OD2 3.29Å; V2-D29 WeakPolarHBondContact CA-OD2 3.34Å; V2-D29 HydrophobicContact CG1-CB 3.85Å
3I96.1Very high95.3Very high49 Ų4935.2 Ų35.225%0.25118%0.18SC..  trans-100.4107.9-176.9-65.1175.7000108.6M1 G27 A28 D29 T30 R95M1-I3 PolarHBondContact O-N 2.94Å; I3-G27 WeakPolarHBondContact CD1-O 3.35Å; I3-A28 HydrophobicContact CG2-CB 4.42Å; I3-D29 PolarHBondContact N-OD2 2.9Å; I3-D29 PolarHBondContact O-N 3.23Å; I3-T30 PolarHBondContact O-N 3.23Å; I3-T30 VanDerWaalsContact O-N 3.11Å; I3-R95 HydrophobicContact CG2-CG 4.41Å
4N97.9Very high95.5Very high23 Ų2332.9 Ų32.912%0.12317%0.168CC..EExtended strand (participates in β ladder)trans-106.2123177.8-55.3-53.3000108.9T30 K92 I93 S94 R95N4-T30 WeakPolarHBondContact CB-OG1 3.47Å; N4-T30 PolarHBondContact OD1-OG1 3.36Å; N4-K92 WeakPolarHBondContact CB-O 3.24Å; N4-K92 PolarHBondContact ND2-O 2.98Å; N4-I93 HydrophobicContact CB-CD1 4.07Å; N4-S94 PolarHBondContact N-OG 3.43Å; N4-S94 PolarHBondContact O-N 2.87Å; N4-S94 PolarHBondContact O-OG 3.34Å; N4-R95 PolarHBondContact O-N 3.31Å
5T98.3Very high95.8Very high0 Ų031.5 Ų31.50%016%0.161CC..EExtended strand (participates in β ladder)trans-116.7144.8-178.7-163.10000113.4S24 A28 T30 V31 R32 R95T5-S24 WeakPolarHBondContact CG2-O 3.49Å; T5-A28 HydrophobicContact CG2-CB 4.04Å; T5-T30 WeakPolarHBondContact CG2-O 3.33Å; T5-T30 PolarHBondContact N-O 3.44Å; T5-V31 HydrophobicContact CG2-CB 3.83Å; T5-V31 HydrophobicContact CG2-CG2 3.86Å; T5-V31 CarbonylContact O-C 3.22Å; T5-V31 WeakPolarHBondContact O-CA 3.28Å; T5-R32 PolarHBondContact O-N 3.08Å; T5-R95 CarbonylContact C-O 3.46Å; T5-R95 WeakPolarHBondContact CA-O 3.47Å; T5-R95 PolarHBondContact OG1-O 3.15Å
6I98.7Very high95.9Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-104.3133.9161.2-67.3175.6000108.4W8 R32 V34 F84 L87 W91 I93 R95 L96 S97I6-W8 HydrophobicContact CG2-CB 4.44Å; I6-R32 WeakPolarHBondContact CA-O 3.41Å; I6-V34 HydrophobicContact CG1-CG2 4.49Å; I6-V34 HydrophobicContact CG2-CB 3.92Å; I6-V34 HydrophobicContact CG2-CG2 3.71Å; I6-F84 HydrophobicContact CD1-CE1 4.4Å; I6-F84 HydrophobicContact CG2-CE1 4.35Å; I6-L87 HydrophobicContact CD1-CB 4.08Å; I6-L87 HydrophobicContact CD1-CD1 4.15Å; I6-W91 HydrophobicContact CD1-CE3 3.89Å; I6-W91 HydrophobicContact CD1-CZ3 4.04Å; I6-W91 HydrophobicContact CG1-CE3 4.24Å; I6-W91 HydrophobicContact CG1-CZ3 4.38Å; I6-I93 HydrophobicContact CD1-CD1 4.07Å; I6-I93 HydrophobicContact CD1-CG1 3.78Å; I6-I93 HydrophobicContact CG1-CD1 3.73Å; I6-I93 HydrophobicContact CG1-CG1 3.95Å; I6-I93 HydrophobicContact CG1-CG2 4.35Å; I6-R95 PolarHBondContact N-O 3.46Å; I6-L96 HydrophobicContact CB-CD1 3.96Å; I6-L96 HydrophobicContact CG2-CD1 3.75Å; I6-L96 CarbonylContact O-C 3.58Å; I6-L96 WeakPolarHBondContact O-CA 3.17Å; I6-S97 PolarHBondContact O-N 3.43Å
7H98.8Very high96.1Very high2 Ų228.3 Ų28.31%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-103.7123.7157.7-178.265.2000109.1F9 N18 L21 R32 V34 S97H7-F9 AromaticContact CD2-CD2 3.88Å; H7-F9 AromaticContact CD2-CE1 3.81Å; H7-F9 AromaticContact CD2-CE2 3.51Å; H7-F9 AromaticContact CD2-CZ 3.47Å; H7-F9 VanDerWaalsContact CD2-CZ 3.47Å; H7-F9 WeakPolarHBondContact CD2-CZ 3.32Å; H7-F9 AromaticContact NE2-CD1 3.9Å; H7-F9 AromaticContact NE2-CE1 3.59Å; H7-F9 AromaticContact NE2-CZ 3.75Å; H7-N18 PolarHBondContact CE1-OD1 3.37Å; H7-N18 PolarHBondContact NE2-ND2 3.49Å; H7-L21 HydrophobicContact CB-CD1 3.67Å; H7-R32 PolarHBondContact N-O 2.9Å; H7-V34 PolarHBondContact O-N 3.44Å; H7-S97 CarbonylContact C-O 3.55Å; H7-S97 WeakPolarHBondContact CA-O 3.11Å; H7-S97 PolarHBondContact ND1-O 2.8Å; H7-S97 PolarHBondContact ND1-OG 2.84Å
8W98.8Very high96.2Very high5 Ų526.9 Ų26.92%0.01914%0.137CC..EExtended strand (participates in β ladder)trans-105109.5-175.4175.930.6000111.7I6 R10 V34 P80 F84 L96 S97 Y98 R109 I113I6-W8 HydrophobicContact CG2-CB 4.44Å; W8-R10 HydrophobicContact CD2-CG 4.13Å; W8-R10 HydrophobicContact CH2-CG 4.47Å; W8-R10 HydrophobicContact CZ2-CG 3.72Å; W8-V34 WeakPolarHBondContact CA-O 3.3Å; W8-P80 HydrophobicContact CH2-CB 3.96Å; W8-P80 HydrophobicContact CH2-CG 4.19Å; W8-P80 HydrophobicContact CZ2-CB 3.92Å; W8-P80 HydrophobicContact CZ2-CG 3.77Å; W8-F84 HydrophobicContact CB-CZ 3.99Å; W8-F84 AromaticContact CD2-CE2 3.61Å; W8-F84 HydrophobicContact CD2-CE2 3.61Å; W8-F84 AromaticContact CD2-CZ 3.44Å; W8-F84 HydrophobicContact CD2-CZ 3.44Å; W8-F84 VanDerWaalsContact CD2-CZ 3.44Å; W8-F84 AromaticContact CE2-CE2 3.86Å; W8-F84 AromaticContact CE3-CE2 3.52Å; W8-F84 HydrophobicContact CE3-CE2 3.52Å; W8-F84 AromaticContact CE3-CZ 3.58Å; W8-F84 HydrophobicContact CE3-CZ 3.58Å; W8-F84 HydrophobicContact CG-CE2 4.28Å; W8-F84 AromaticContact CG-CZ 3.64Å; W8-F84 HydrophobicContact CG-CZ 3.64Å; W8-F84 AromaticContact CH2-CE2 3.94Å; W8-F84 HydrophobicContact CH2-CE2 3.94Å; W8-F84 HydrophobicContact CZ2-CE2 4.05Å; W8-F84 AromaticContact CZ3-CE2 3.67Å; W8-F84 HydrophobicContact CZ3-CE2 3.67Å; W8-F84 HydrophobicContact CZ3-CZ 4.23Å; W8-L96 HydrophobicContact CB-CD1 3.98Å; W8-S97 PolarHBondContact N-O 2.89Å; W8-Y98 AromaticContact CE3-CD1 3.99Å; W8-Y98 HydrophobicContact CE3-CD1 3.99Å; W8-Y98 HydrophobicContact CE3-CE1 4.43Å; W8-Y98 HydrophobicContact CE3-CG 4.24Å; W8-Y98 WeakPolarHBondContact O-CB 3.43Å; W8-R109 HydrophobicContact CH2-CG 4.32Å; W8-I113 HydrophobicContact CH2-CG1 4.13Å; W8-I113 HydrophobicContact CZ3-CB 4.37Å; W8-I113 HydrophobicContact CZ3-CG1 4Å; W8-I113 HydrophobicContact CZ3-CG2 4.2Å
9F98.8Very high96.3Very high3 Ų326.6 Ų26.61%0.01314%0.138CC..EExtended strand (participates in β ladder)trans-78.8139.1172.4-71.4-74.9000111.4H7 G12 L13 L15 L21 C33 V34 Y35 L62 L73H7-F9 AromaticContact CD2-CD2 3.88Å; H7-F9 AromaticContact CD2-CE1 3.81Å; H7-F9 AromaticContact CD2-CE2 3.51Å; H7-F9 AromaticContact CD2-CZ 3.47Å; H7-F9 VanDerWaalsContact CD2-CZ 3.47Å; H7-F9 WeakPolarHBondContact CD2-CZ 3.32Å; H7-F9 AromaticContact NE2-CD1 3.9Å; H7-F9 AromaticContact NE2-CE1 3.59Å; H7-F9 AromaticContact NE2-CZ 3.75Å; F9-G12 VanDerWaalsContact CD1-O 3.29Å; F9-G12 WeakPolarHBondContact CD1-O 3.45Å; F9-G12 VanDerWaalsContact CE1-O 3.26Å; F9-G12 WeakPolarHBondContact CE1-O 3.5Å; F9-L13 HydrophobicContact CB-CD2 3.83Å; F9-L13 HydrophobicContact CD1-CD2 4.25Å; F9-L13 HydrophobicContact CG-CD2 4.36Å; F9-L15 HydrophobicContact CZ-CD2 4.34Å; F9-L21 HydrophobicContact CZ-CD2 4.31Å; F9-C33 HydrophobicContact CD2-CB 4.38Å; F9-C33 HydrophobicContact CE2-CB 3.84Å; F9-V34 PolarHBondContact N-O 3.41Å; F9-Y35 HydrophobicContact CB-CD2 3.99Å; F9-Y35 WeakPolarHBondContact O-CD2 3.31Å; F9-L62 HydrophobicContact CD1-CD2 4.04Å; F9-L62 HydrophobicContact CD2-CD2 3.77Å; F9-L62 HydrophobicContact CE1-CD1 4.3Å; F9-L62 HydrophobicContact CE1-CD2 4.03Å; F9-L62 HydrophobicContact CE2-CD1 4.35Å; F9-L62 HydrophobicContact CE2-CD2 3.75Å; F9-L62 HydrophobicContact CE2-CG 4.38Å; F9-L62 HydrophobicContact CG-CD2 3.91Å; F9-L62 HydrophobicContact CZ-CD1 3.9Å; F9-L62 HydrophobicContact CZ-CD2 3.88Å; F9-L62 HydrophobicContact CZ-CG 4.39Å; F9-L73 HydrophobicContact CD2-CD1 4.23Å
10R95.8Very high96.4Very high29 Ų2925.3 Ų25.311%0.10913%0.131CC..SBendtrans-139.9-67.8169.3-49.888.266.596.2-4.4109.1W8 E99 R109 D110W8-R10 HydrophobicContact CD2-CG 4.13Å; W8-R10 HydrophobicContact CH2-CG 4.47Å; W8-R10 HydrophobicContact CZ2-CG 3.72Å; R10-E99 PolarHBondContact NH2-O 3.37Å; R10-R109 VanDerWaalsContact CZ-NH2 3.31Å; R10-D110 IonicContact CZ-OD1 3.31Å; R10-D110 IonicContact CZ-OD2 2.85Å; R10-D110 IonicContact NH1-OD1 3.21Å; R10-D110 PolarHBondContact NH1-OD1 3.08Å; R10-D110 IonicContact NH1-OD2 3.42Å; R10-D110 PolarHBondContact NH1-OD2 3.08Å; R10-D110 IonicContact NH2-OD1 3.43Å; R10-D110 PolarHBondContact NH2-OD1 3.31Å; R10-D110 IonicContact NH2-OD2 3.91Å; R10-D110 PolarHBondContact NH2-OD2 2.88Å
11K94.8Very high96.5Very high29 Ų2924.2 Ų24.213%0.12613%0.125CC..SBendtrans-90.5-163.5152.4-66.2164176.1168.70106.9L13 D101 E103 F257K11-L13 VanDerWaalsContact C-N 3.27Å; K11-L13 PolarHBondContact O-N 3.05Å; K11-D101 IonicContact NZ-OD1 2.72Å; K11-D101 PolarHBondContact NZ-OD1 3.23Å; K11-E103 IonicContact NZ-OE2 3.2Å; K11-E103 PolarHBondContact NZ-OE2 2.92Å; K11-F257 CarbonylContact C-O 3.55Å
12G97.9Very high97.6Very high3 Ų318.2 Ų18.23%0.0319%0.09CC..  trans62.532.1171.900000114.3F9 R14 E99 F257F9-G12 VanDerWaalsContact CD1-O 3.29Å; F9-G12 WeakPolarHBondContact CD1-O 3.45Å; F9-G12 VanDerWaalsContact CE1-O 3.26Å; F9-G12 WeakPolarHBondContact CE1-O 3.5Å; G12-R14 PolarHBondContact O-N 2.89Å; G12-E99 WeakPolarHBondContact CA-OE2 3.47Å; G12-E99 PolarHBondContact N-OE2 3.15Å; G12-E99 VanDerWaalsContact N-OE2 3.11Å; G12-F257 PolarHBondContact N-O 3.36Å
13L98.8Very high97.9Very high1 Ų116.5 Ų16.51%0.0058%0.076CC..  trans-7263.8-175.6-55.8-176000112.1F9 K11 Y35 L55 L59 F257 C259F9-L13 HydrophobicContact CB-CD2 3.83Å; F9-L13 HydrophobicContact CD1-CD2 4.25Å; F9-L13 HydrophobicContact CG-CD2 4.36Å; K11-L13 VanDerWaalsContact C-N 3.27Å; K11-L13 PolarHBondContact O-N 3.05Å; L13-Y35 HydrophobicContact CD2-CD2 4.06Å; L13-Y35 HydrophobicContact CD2-CE2 4.05Å; L13-L55 HydrophobicContact CD1-CD1 3.76Å; L13-L59 HydrophobicContact CD1-CD2 4.27Å; L13-L59 HydrophobicContact CD2-CD2 4.1Å; L13-F257 HydrophobicContact CD1-CB 4.44Å; L13-F257 HydrophobicContact CD1-CD1 4.29Å; L13-F257 PolarHBondContact N-O 3.41Å; L13-C259 WeakPolarHBondContact O-CA 3.46Å
14R98.8Very high97.8Very high2 Ų214.2 Ų14.21%0.0087%0.065CC..  trans-156.8157.4-174.563.2176.1-171.3-77.8-11.6112.5G12 H16 D17 N18 E99 S129 E214 G258G12-R14 PolarHBondContact O-N 2.89Å; R14-H16 WeakPolarHBondContact CD-O 3.4Å; R14-H16 VanDerWaalsContact CG-O 3.29Å; R14-H16 WeakPolarHBondContact CG-O 3.5Å; R14-H16 PolarHBondContact NE-O 2.97Å; R14-D17 PolarHBondContact NE-O 3.27Å; R14-D17 VanDerWaalsContact NE-O 3.15Å; R14-D17 PolarHBondContact NH2-O 3.1Å; R14-N18 PolarHBondContact O-ND2 3.35Å; R14-N18 VanDerWaalsContact O-ND2 3.14Å; R14-E99 IonicContact CZ-OE1 2.69Å; R14-E99 IonicContact NH1-OE1 3.76Å; R14-E99 IonicContact NH2-OE1 3.44Å; R14-E99 PolarHBondContact NH2-OE1 3.05Å; R14-S129 PolarHBondContact NH2-OG 3.15Å; R14-E214 VanDerWaalsContact CA-OE2 3.28Å; R14-E214 WeakPolarHBondContact CA-OE2 3.49Å; R14-E214 HydrophobicContact CB-CB 4.35Å; R14-E214 HydrophobicContact CB-CG 4.14Å; R14-G258 WeakPolarHBondContact CD-O 3.47Å; R14-G258 WeakPolarHBondContact CG-O 3.35Å; R14-G258 PolarHBondContact NH1-O 3.48Å
15L98.6Very high97.7Very high12 Ų1213.5 Ų13.56%0.0636%0.061CC..SBendtrans-100.8-22.4171-56.5-176000112.9F9 L21 L62 L66 L69 S169 I170 E214F9-L15 HydrophobicContact CZ-CD2 4.34Å; L15-L21 HydrophobicContact CD2-CD2 3.82Å; L15-L62 HydrophobicContact CD2-CD1 3.83Å; L15-L62 HydrophobicContact CG-CD1 4.09Å; L15-L66 HydrophobicContact CD1-CD2 4.46Å; L15-L66 HydrophobicContact CD2-CD2 4.09Å; L15-L69 HydrophobicContact CD1-CD1 4.01Å; L15-S169 WeakPolarHBondContact O-CA 3.45Å; L15-I170 PolarHBondContact O-N 3.47Å; L15-E214 VanDerWaalsContact N-CD 3.29Å; L15-E214 PolarHBondContact N-OE1 3.42Å; L15-E214 VanDerWaalsContact N-OE1 3.14Å; L15-E214 PolarHBondContact N-OE2 2.82Å
16H98.6Very high97.4Very high7 Ų718.8 Ų18.83%0.0329%0.089CC..THydrogen-bonded Turntrans-74.7144.5168.376.8-93.7000112.1R14 N18 S169 E214 C259 S261 L264R14-H16 WeakPolarHBondContact CD-O 3.4Å; R14-H16 VanDerWaalsContact CG-O 3.29Å; R14-H16 WeakPolarHBondContact CG-O 3.5Å; R14-H16 PolarHBondContact NE-O 2.97Å; H16-N18 VanDerWaalsContact C-N 3.27Å; H16-N18 PolarHBondContact O-N 3.04Å; H16-S169 WeakPolarHBondContact CA-OG 2.89Å; H16-S169 VanDerWaalsContact CB-OG 3.27Å; H16-S169 WeakPolarHBondContact CB-OG 3.44Å; H16-E214 IonicContact CE1-OE1 3.18Å; H16-E214 IonicContact CG-OE1 2.7Å; H16-E214 PolarHBondContact N-OE1 3.06Å; H16-E214 IonicContact ND1-OE1 2.8Å; H16-E214 PolarHBondContact ND1-OE1 3.4Å; H16-C259 PolarHBondContact CE1-O 3.06Å; H16-C259 VanDerWaalsContact CE1-O 3.3Å; H16-S261 WeakPolarHBondContact NE2-CB 3.07Å; H16-S261 PolarHBondContact NE2-N 2.84Å; H16-L264 VanDerWaalsContact CD2-CD2 3.42Å; H16-L264 WeakPolarHBondContact CD2-CD2 2.94Å
17D98.6Very high97.1Very high2 Ų221.7 Ų21.71%0.01112%0.118CC..THydrogen-bonded Turntrans44.352.3178.5-173.335.7000113.4R14 P19 P166 A167 S261R14-D17 PolarHBondContact NE-O 3.27Å; R14-D17 VanDerWaalsContact NE-O 3.15Å; R14-D17 PolarHBondContact NH2-O 3.1Å; D17-P19 VanDerWaalsContact C-CD 3.43Å; D17-P19 WeakPolarHBondContact O-CD 3.4Å; D17-P166 HydrophobicContact CB-CB 3.83Å; D17-P166 VanDerWaalsContact OD1-CA 3.31Å; D17-P166 WeakPolarHBondContact OD1-CA 3.48Å; D17-A167 VanDerWaalsContact CA-O 3.31Å; D17-A167 WeakPolarHBondContact CA-O 3.43Å; D17-A167 PolarHBondContact N-O 3.08Å; D17-A167 PolarHBondContact OD1-N 3.19Å; D17-S261 VanDerWaalsContact OD2-CB 3.27Å; D17-S261 WeakPolarHBondContact OD2-CB 3.33Å; D17-S261 PolarHBondContact OD2-OG 3.3Å
18N98.6Very high97Very high3 Ų322 Ų222%0.01612%0.121CC..  trans-11678.3174.9-169.8-23.2000109.1H7 R14 H16 A20 L21 R22H7-N18 PolarHBondContact CE1-OD1 3.37Å; H7-N18 PolarHBondContact NE2-ND2 3.49Å; R14-N18 PolarHBondContact O-ND2 3.35Å; R14-N18 VanDerWaalsContact O-ND2 3.14Å; H16-N18 VanDerWaalsContact C-N 3.27Å; H16-N18 PolarHBondContact O-N 3.04Å; N18-A20 VanDerWaalsContact C-N 3.28Å; N18-A20 PolarHBondContact O-N 3.34Å; N18-L21 HydrophobicContact CB-CB 4.1Å; N18-L21 VanDerWaalsContact CG-CB 3.4Å; N18-L21 PolarHBondContact O-N 2.54Å; N18-L21 VanDerWaalsContact OD1-CB 3.29Å; N18-L21 WeakPolarHBondContact OD1-CB 3.37Å; N18-L21 PolarHBondContact OD1-N 3.4Å; N18-R22 WeakPolarHBondContact O-CB 3.39Å; N18-R22 PolarHBondContact O-N 3.36Å
19P98.4Very high96.9Very high22 Ų2225.2 Ų25.214%0.14314%0.139CC..Hα-helixtrans-62.9-32-176.823.5-33.5000113D17 E23 R127 A167D17-P19 VanDerWaalsContact C-CD 3.43Å; D17-P19 WeakPolarHBondContact O-CD 3.4Å; P19-E23 WeakPolarHBondContact O-CB 3.29Å; P19-E23 PolarHBondContact O-N 2.72Å; P19-R127 HydrophobicContact CB-CB 4.07Å; P19-R127 HydrophobicContact CB-CG 4.18Å; P19-R127 HydrophobicContact CG-CB 3.83Å; P19-R127 HydrophobicContact CG-CG 4.48Å; P19-A167 HydrophobicContact CB-CB 4.19Å
20A98.2Very high96.8Very high0 Ų025.8 Ų25.80%014%0.142CC..Hα-helixtrans-65.7-44.4176.900000112N18 S24 S97 Y98 R127N18-A20 VanDerWaalsContact C-N 3.28Å; N18-A20 PolarHBondContact O-N 3.34Å; A20-S24 WeakPolarHBondContact O-CB 3.18Å; A20-S24 PolarHBondContact O-N 3.22Å; A20-S24 VanDerWaalsContact O-N 3.14Å; A20-S24 PolarHBondContact O-OG 3.46Å; A20-S97 WeakPolarHBondContact O-CB 3.19Å; A20-S97 PolarHBondContact O-OG 3.43Å; A20-Y98 WeakPolarHBondContact CB-O 3.41Å; A20-R127 HydrophobicContact CB-CB 4.11Å; A20-R127 HydrophobicContact CB-CG 4.38Å
21L97.9Very high96.9Very high3 Ų324.5 Ų24.52%0.01614%0.137CC..Hα-helixtrans-63.8-51.2173.5178.952.6000110.8H7 F9 L15 N18 E23 S24 L25 V31 I170H7-L21 HydrophobicContact CB-CD1 3.67Å; F9-L21 HydrophobicContact CZ-CD2 4.31Å; L15-L21 HydrophobicContact CD2-CD2 3.82Å; N18-L21 HydrophobicContact CB-CB 4.1Å; N18-L21 VanDerWaalsContact CG-CB 3.4Å; N18-L21 PolarHBondContact O-N 2.54Å; N18-L21 VanDerWaalsContact OD1-CB 3.29Å; N18-L21 WeakPolarHBondContact OD1-CB 3.37Å; N18-L21 PolarHBondContact OD1-N 3.4Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.46Å; L21-S24 WeakPolarHBondContact CA-OG 3.25Å; L21-S24 PolarHBondContact O-N 2.99Å; L21-S24 PolarHBondContact O-OG 3.28Å; L21-L25 HydrophobicContact CD1-CD1 4.33Å; L21-L25 HydrophobicContact CD1-CG 4.27Å; L21-L25 HydrophobicContact CG-CD1 4.4Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.87Å; L21-L25 VanDerWaalsContact O-N 3.15Å; L21-V31 HydrophobicContact CD1-CG2 4.47Å; L21-I170 HydrophobicContact CD2-CD1 4.43Å; L21-I170 HydrophobicContact CD2-CG1 3.7Å; L21-I170 HydrophobicContact CG-CD1 4.11Å; L21-I170 HydrophobicContact CG-CG1 3.91Å
22R96.9Very high97.1Very high92 Ų9224.4 Ų24.435%0.34714%0.136SC..Hα-helixtrans-54.4-45.1-179-174.4174.8177.1-91.28112.4N18 E168 I170N18-R22 WeakPolarHBondContact O-CB 3.39Å; N18-R22 PolarHBondContact O-N 3.36Å; R22-E168 IonicContact CZ-OE2 2.59Å; R22-E168 IonicContact NE-OE2 2.77Å; R22-E168 PolarHBondContact NE-OE2 2.79Å; R22-E168 IonicContact NH2-OE2 3.65Å; R22-E168 PolarHBondContact NH2-OE2 3.23Å; R22-I170 HydrophobicContact CB-CD1 3.77Å; R22-I170 HydrophobicContact CG-CD1 4.36Å
23E96.1Very high97.1Very high60 Ų6024.4 Ų24.428%0.2814%0.136SC..Hα-helixtrans-67-41.8176.9-176.9168.6-14600112.4P19 L21 L25 L26 T125 R127P19-E23 WeakPolarHBondContact O-CB 3.29Å; P19-E23 PolarHBondContact O-N 2.72Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.46Å; E23-L25 PolarHBondContact O-N 3.28Å; E23-L26 WeakPolarHBondContact O-CB 3.29Å; E23-L26 PolarHBondContact O-N 2.97Å; E23-T125 HydrophobicContact CB-CG2 4.26Å; E23-T125 VanDerWaalsContact CD-CG2 3.45Å; E23-T125 HydrophobicContact CG-CG2 3.9Å; E23-T125 WeakPolarHBondContact OE2-CG2 3.32Å; E23-R127 IonicContact OE1-CZ 3.52Å; E23-R127 IonicContact OE1-NE 2.68Å; E23-R127 IonicContact OE1-NH2 3.41Å; E23-R127 PolarHBondContact OE1-NH2 3.47Å; E23-R127 IonicContact OE2-CZ 3.87Å; E23-R127 VanDerWaalsContact OE2-CZ 3.23Å; E23-R127 IonicContact OE2-NE 2.78Å; E23-R127 PolarHBondContact OE2-NE 3.1Å; E23-R127 IonicContact OE2-NH2 3.59Å; E23-R127 PolarHBondContact OE2-NH2 3.2Å
24S94.9Very high97.1Very high1 Ų124.3 Ų24.31%0.00714%0.136CC..Hα-helixtrans-66.1-21-179.766.10000114.7T5 A20 L21 R95 S97T5-S24 WeakPolarHBondContact CG2-O 3.49Å; A20-S24 WeakPolarHBondContact O-CB 3.18Å; A20-S24 PolarHBondContact O-N 3.22Å; A20-S24 VanDerWaalsContact O-N 3.14Å; A20-S24 PolarHBondContact O-OG 3.46Å; L21-S24 WeakPolarHBondContact CA-OG 3.25Å; L21-S24 PolarHBondContact O-N 2.99Å; L21-S24 PolarHBondContact O-OG 3.28Å; S24-R95 PolarHBondContact O-NH2 3.07Å; S24-S97 WeakPolarHBondContact CB-OG 3.42Å; S24-S97 PolarHBondContact OG-OG 3.45Å
25L95.4Very high97.1Very high8 Ų825.7 Ų25.74%0.04214%0.141CC..Hα-helixtrans-76.1-22.5172.8-66.2172.2000112.9L21 E23 G27 A28 V31 I170 I174 M175 C178L21-L25 HydrophobicContact CD1-CD1 4.33Å; L21-L25 HydrophobicContact CD1-CG 4.27Å; L21-L25 HydrophobicContact CG-CD1 4.4Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.87Å; L21-L25 VanDerWaalsContact O-N 3.15Å; E23-L25 PolarHBondContact O-N 3.28Å; L25-G27 PolarHBondContact O-N 3.27Å; L25-A28 PolarHBondContact O-N 2.78Å; L25-V31 HydrophobicContact CD2-CB 3.82Å; L25-V31 HydrophobicContact CD2-CG1 3.79Å; L25-V31 HydrophobicContact CD2-CG2 3.92Å; L25-I170 HydrophobicContact CD1-CD1 4.14Å; L25-I170 HydrophobicContact CD1-CG2 3.77Å; L25-I174 HydrophobicContact CD1-CG2 3.94Å; L25-M175 HydrophobicContact CD1-SD 3.79Å; L25-M175 HydrophobicContact CD2-SD 3.77Å; L25-M175 HydrophobicContact CG-SD 4.46Å; L25-C178 HydrophobicContact CD2-CB 4.4Å
26L92.8Very high97.1Very high111 Ų11125.9 Ų25.958%0.58114%0.142SC*.THydrogen-bonded Turntrans-64109.3-177-62.5177.1000110.9E23 A28 R95E23-L26 WeakPolarHBondContact O-CB 3.29Å; E23-L26 PolarHBondContact O-N 2.97Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 3.11Å; L26-R95 PolarHBondContact O-NH1 2.75Å; L26-R95 PolarHBondContact O-NH2 3.03Å
27G91.8Very high96.7Very high60 Ų6025.8 Ų25.862%0.61914%0.141SC*.THydrogen-bonded Turntrans70.717.7-176.500000115I3 L25I3-G27 WeakPolarHBondContact CD1-O 3.35Å; L25-G27 PolarHBondContact O-N 3.27Å
28A96Very high95.9Very high8 Ų827 Ų277%0.06615%0.148CC..  trans-79.3138.6171.100000111.4I3 T5 L25 L26 C178I3-A28 HydrophobicContact CG2-CB 4.42Å; T5-A28 HydrophobicContact CG2-CB 4.04Å; L25-A28 PolarHBondContact O-N 2.78Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 3.11Å; A28-C178 HydrophobicContact CB-CB 4.4Å; A28-C178 VanDerWaalsContact CB-SG 3.52Å; A28-C178 WeakPolarHBondContact O-CB 3.25Å
29D96.9Very high94.2Very high74 Ų7429 Ų2940%0.39616%0.161SC..SBendtrans-86.6-37.2167.6-62.5-74.2000110.8V2 I3 C178 T179V2-D29 VanDerWaalsContact CA-OD2 3.29Å; V2-D29 WeakPolarHBondContact CA-OD2 3.34Å; V2-D29 HydrophobicContact CG1-CB 3.85Å; I3-D29 PolarHBondContact N-OD2 2.9Å; I3-D29 PolarHBondContact O-N 3.23Å; D29-C178 WeakPolarHBondContact O-CA 3.01Å; D29-T179 PolarHBondContact O-N 2.7Å; D29-T179 PolarHBondContact O-OG1 2.96Å
30T97.9Very high92.5Very high15 Ų1537.5 Ų37.59%0.09219%0.191CC..EExtended strand (participates in β ladder)trans-134.1146.3173.178.20000114.3I3 N4 T5 T179 P181I3-T30 PolarHBondContact O-N 3.23Å; I3-T30 VanDerWaalsContact O-N 3.11Å; N4-T30 WeakPolarHBondContact CB-OG1 3.47Å; N4-T30 PolarHBondContact OD1-OG1 3.36Å; T5-T30 WeakPolarHBondContact CG2-O 3.33Å; T5-T30 PolarHBondContact N-O 3.44Å; T30-T179 CarbonylContact C-O 3.53Å; T30-T179 WeakPolarHBondContact CA-O 3.29Å; T30-T179 WeakPolarHBondContact CB-O 3.47Å; T30-P181 HydrophobicContact CG2-CG 3.86Å
31V98Very high90.7Very high1 Ų142.7 Ų42.71%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-128.2138.6174.159.80000111.1T5 L21 L25 M175 C178 T179 T180T5-V31 HydrophobicContact CG2-CB 3.83Å; T5-V31 HydrophobicContact CG2-CG2 3.86Å; T5-V31 CarbonylContact O-C 3.22Å; T5-V31 WeakPolarHBondContact O-CA 3.28Å; L21-V31 HydrophobicContact CD1-CG2 4.47Å; L25-V31 HydrophobicContact CD2-CB 3.82Å; L25-V31 HydrophobicContact CD2-CG1 3.79Å; L25-V31 HydrophobicContact CD2-CG2 3.92Å; V31-M175 HydrophobicContact CG1-CE 3.68Å; V31-M175 HydrophobicContact CG1-SD 4.36Å; V31-C178 VanDerWaalsContact CG1-SG 3.54Å; V31-C178 PolarHBondContact N-SG 2.93Å; V31-C178 VanDerWaalsContact N-SG 3.43Å; V31-T179 PolarHBondContact N-O 3.1Å; V31-T180 WeakPolarHBondContact O-CB 3.44Å; V31-T180 WeakPolarHBondContact O-CG2 3.49Å; V31-T180 PolarHBondContact O-OG1 3.31Å
32R98.5Very high88.7Confident27 Ų2742.9 Ų42.910%0.10222%0.215CC..EExtended strand (participates in β ladder)trans-124.6120.6164.4-68.4-178.5-178.281.8-7.9110.4T5 I6 H7 V34 F74 W91T5-R32 PolarHBondContact O-N 3.08Å; I6-R32 WeakPolarHBondContact CA-O 3.41Å; H7-R32 PolarHBondContact N-O 2.9Å; R32-V34 HydrophobicContact CB-CG2 4.44Å; R32-F74 HydrophobicContact CB-CD2 4.03Å; R32-F74 HydrophobicContact CB-CE2 4.01Å; R32-F74 HydrophobicContact CG-CD2 4.24Å; R32-F74 HydrophobicContact CG-CE2 3.76Å; R32-F74 HydrophobicContact CG-CZ 3.91Å; R32-W91 HydrophobicContact CB-CZ3 4.21Å; R32-W91 VanDerWaalsContact CD-CZ3 3.44Å; R32-W91 HydrophobicContact CG-CZ3 4.48Å
33C98.6Very high86.2Confident3 Ų341.8 Ų41.82%0.0223%0.232CC..EExtended strand (participates in β ladder)trans-82.7115.2171.7-75.30000108.9F9 L66 L73 F74F9-C33 HydrophobicContact CD2-CB 4.38Å; F9-C33 HydrophobicContact CE2-CB 3.84Å; C33-L66 HydrophobicContact CB-CD1 3.55Å; C33-L66 HydrophobicContact CB-CD2 4.34Å; C33-L73 HydrophobicContact CB-CD1 4.45Å; C33-F74 PolarHBondContact O-N 2.77Å
34V98.8Very high83.7Confident0 Ų043.8 Ų43.80%025%0.253CS..EExtended strand (participates in β ladder)trans-115.6135.2-172.7172.30000110.7I6 H7 W8 F9 R32 I36 F74 I76 W91I6-V34 HydrophobicContact CG1-CG2 4.49Å; I6-V34 HydrophobicContact CG2-CB 3.92Å; I6-V34 HydrophobicContact CG2-CG2 3.71Å; H7-V34 PolarHBondContact O-N 3.44Å; W8-V34 WeakPolarHBondContact CA-O 3.3Å; F9-V34 PolarHBondContact N-O 3.41Å; R32-V34 HydrophobicContact CB-CG2 4.44Å; V34-I36 HydrophobicContact CG1-CD1 4.49Å; V34-I36 HydrophobicContact CG1-CG1 3.79Å; V34-F74 WeakPolarHBondContact CA-O 3.43Å; V34-F74 HydrophobicContact CG2-CB 4.11Å; V34-I76 HydrophobicContact CB-CD1 4.49Å; V34-I76 HydrophobicContact CG1-CD1 3.58Å; V34-I76 HydrophobicContact CG1-CG1 4.17Å; V34-I76 HydrophobicContact CG2-CD1 4.08Å; V34-W91 HydrophobicContact CG2-CH2 4.37Å; V34-W91 HydrophobicContact CG2-CZ3 3.91Å
35Y98.6Very high82Confident30 Ų3045 Ų4512%0.11826%0.262CS..EExtended strand (participates in β ladder)trans-114.8134.6158.6-169.6-88.8000108.7F9 L13 I37 L55 L59 F74 V75 I76F9-Y35 HydrophobicContact CB-CD2 3.99Å; F9-Y35 WeakPolarHBondContact O-CD2 3.31Å; L13-Y35 HydrophobicContact CD2-CD2 4.06Å; L13-Y35 HydrophobicContact CD2-CE2 4.05Å; Y35-I37 HydrophobicContact CD1-CB 4.24Å; Y35-I37 HydrophobicContact CE1-CB 4.16Å; Y35-L55 HydrophobicContact CE1-CD2 4.37Å; Y35-L55 HydrophobicContact CE2-CD1 4.16Å; Y35-L55 WeakPolarHBondContact OH-CD2 3.34Å; Y35-L59 HydrophobicContact CD1-CD1 3.72Å; Y35-L59 HydrophobicContact CD1-CD2 4.27Å; Y35-L59 HydrophobicContact CD2-CD1 4.5Å; Y35-L59 HydrophobicContact CD2-CD2 3.57Å; Y35-L59 HydrophobicContact CE1-CD1 4.05Å; Y35-L59 HydrophobicContact CE2-CD2 4.05Å; Y35-L59 HydrophobicContact CG-CD1 3.98Å; Y35-L59 HydrophobicContact CG-CD2 3.7Å; Y35-F74 PolarHBondContact N-O 2.83Å; Y35-V75 WeakPolarHBondContact O-CA 3.37Å; Y35-I76 PolarHBondContact O-N 3.25Å
36I96.8Very high80.8Confident17 Ų1750 Ų509%0.08729%0.288CS..EExtended strand (participates in β ladder)trans-105.7114.4176.9-57.3-179.1000107.8V34 I76 G78 P80 V83 F84V34-I36 HydrophobicContact CG1-CD1 4.49Å; V34-I36 HydrophobicContact CG1-CG1 3.79Å; I36-I76 WeakPolarHBondContact CA-O 3.49Å; I36-G78 WeakPolarHBondContact CG2-O 3.36Å; I36-P80 HydrophobicContact CB-CG 4.49Å; I36-P80 HydrophobicContact CD1-CB 4.15Å; I36-P80 HydrophobicContact CD1-CG 4.33Å; I36-P80 HydrophobicContact CG2-CG 4.12Å; I36-V83 HydrophobicContact CD1-CB 4.22Å; I36-V83 HydrophobicContact CD1-CG1 3.81Å; I36-V83 HydrophobicContact CG1-CG1 4.35Å; I36-V83 HydrophobicContact CG2-CG2 4.45Å; I36-F84 HydrophobicContact CD1-CD2 4.02Å; I36-F84 HydrophobicContact CD1-CE1 4.39Å; I36-F84 HydrophobicContact CD1-CE2 3.48Å; I36-F84 VanDerWaalsContact CD1-CE2 3.48Å; I36-F84 HydrophobicContact CD1-CZ 3.68Å
37I91.6Very high80.4Confident4 Ų445.5 Ų45.52%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-104.4128.1177-170.5172.2000108.6Y35 P39 W52 V75 I76 R77 G78 P193 L198Y35-I37 HydrophobicContact CD1-CB 4.24Å; Y35-I37 HydrophobicContact CE1-CB 4.16Å; I37-P39 VanDerWaalsContact O-CD 3.29Å; I37-P39 WeakPolarHBondContact O-CD 3.42Å; I37-W52 HydrophobicContact CD1-CZ3 3.78Å; I37-W52 HydrophobicContact CG1-CH2 4.36Å; I37-W52 HydrophobicContact CG1-CZ3 4.03Å; I37-V75 HydrophobicContact CB-CG1 4.28Å; I37-V75 HydrophobicContact CG2-CG1 3.61Å; I37-I76 PolarHBondContact N-O 3.28Å; I37-R77 HydrophobicContact CG2-CG 3.98Å; I37-R77 CarbonylContact O-C 3.55Å; I37-R77 VanDerWaalsContact O-CA 3.28Å; I37-R77 WeakPolarHBondContact O-CA 3.3Å; I37-G78 PolarHBondContact O-N 2.94Å; I37-P193 HydrophobicContact CD1-CG 4.06Å; I37-L198 HydrophobicContact CD1-CD1 4.11Å; I37-L198 HydrophobicContact CD1-CD2 4.08Å
38D81Confident80.3Confident27 Ų2743.3 Ų43.314%0.14424%0.243CC..  trans-90.3108.7168.5-179.614.2000109.3W40 F41 Q79D38-W40 VanDerWaalsContact C-N 3.25Å; D38-W40 PolarHBondContact O-N 3.47Å; D38-W40 WeakPolarHBondContact OD1-CB 3.36Å; D38-W40 PolarHBondContact OD1-N 2.97Å; D38-W40 VanDerWaalsContact OD1-N 3.08Å; D38-F41 HydrophobicContact CB-CB 4.04Å; D38-F41 VanDerWaalsContact O-CB 3.24Å; D38-F41 WeakPolarHBondContact O-CB 3.47Å; D38-F41 PolarHBondContact O-N 3Å; D38-F41 VanDerWaalsContact O-N 3.15Å; D38-Q79 PolarHBondContact OD2-NE2 2.6Å
39P62.5Low80.2Confident46 Ų4645 Ų4530%0.29925%0.251SS..Hα-helixtrans-66.8-26.5179.829.3-36.2000112.5I37 F41 A42 R77I37-P39 VanDerWaalsContact O-CD 3.29Å; I37-P39 WeakPolarHBondContact O-CD 3.42Å; P39-F41 PolarHBondContact O-N 3.09Å; P39-A42 PolarHBondContact O-N 2.87Å; P39-R77 HydrophobicContact CG-CB 4.29Å
40W64.1Low80.1Confident201 Ų20142.4 Ų42.476%0.76124%0.237SC*.Hα-helixtrans-66.8-27.6175.5-59.5102.2000111.4D38 S44D38-W40 VanDerWaalsContact C-N 3.25Å; D38-W40 PolarHBondContact O-N 3.47Å; D38-W40 WeakPolarHBondContact OD1-CB 3.36Å; D38-W40 PolarHBondContact OD1-N 2.97Å; D38-W40 VanDerWaalsContact OD1-N 3.08Å; W40-S44 VanDerWaalsContact O-CB 3.22Å; W40-S44 WeakPolarHBondContact O-CB 3.48Å; W40-S44 PolarHBondContact O-N 3.25Å; W40-S44 VanDerWaalsContact O-N 3.16Å; W40-S44 PolarHBondContact O-OG 2.98Å
41F60.5Low80Confident109 Ų10943.2 Ų43.248%0.47824%0.238SC..Hα-helixtrans-67.2-33.9174.4-145-98.2000112.2D38 P39 G43 S45 V47 W52D38-F41 HydrophobicContact CB-CB 4.04Å; D38-F41 VanDerWaalsContact O-CB 3.24Å; D38-F41 WeakPolarHBondContact O-CB 3.47Å; D38-F41 PolarHBondContact O-N 3Å; D38-F41 VanDerWaalsContact O-N 3.15Å; P39-F41 PolarHBondContact O-N 3.09Å; F41-G43 PolarHBondContact O-N 2.77Å; F41-S45 VanDerWaalsContact CD1-CB 3.46Å; F41-S45 VanDerWaalsContact CD1-OG 3.3Å; F41-S45 WeakPolarHBondContact CD1-OG 3.46Å; F41-S45 VanDerWaalsContact CE1-CB 3.42Å; F41-S45 WeakPolarHBondContact O-CB 3.43Å; F41-S45 PolarHBondContact O-N 3.39Å; F41-S45 PolarHBondContact O-OG 3.33Å; F41-V47 HydrophobicContact CE1-CG2 4.12Å; F41-W52 HydrophobicContact CD1-CZ2 4.25Å
42A55.3Low79.8Confident6 Ų644 Ų445%0.0524%0.241CC..Hα-helixtrans-64-42.8-178.500000112.8P39 W52 L198 F200P39-A42 PolarHBondContact O-N 2.87Å; A42-W52 VanDerWaalsContact CA-CZ2 3.47Å; A42-W52 HydrophobicContact CB-CH2 4.15Å; A42-W52 HydrophobicContact CB-CZ2 3.79Å; A42-L198 HydrophobicContact CB-CB 4.09Å; A42-L198 HydrophobicContact CB-CD1 4.41Å; A42-L198 HydrophobicContact CB-CD2 4.4Å; A42-F200 HydrophobicContact CB-CE2 4.21Å; A42-F200 HydrophobicContact CB-CZ 4.43Å
43G43.5Very low79.8Confident69 Ų6944 Ų4471%0.71124%0.241SC*.Hα-helixtrans-90.6-10.4179.600000115.9F41F41-G43 PolarHBondContact O-N 2.77Å
44S44.6Very low79.7Confident103 Ų10343.9 Ų43.972%0.7224%0.24SC*.Hα-helixtrans-124.6-0-174.2-54.60000115.4W40W40-S44 VanDerWaalsContact O-CB 3.22Å; W40-S44 WeakPolarHBondContact O-CB 3.48Å; W40-S44 PolarHBondContact O-N 3.25Å; W40-S44 VanDerWaalsContact O-N 3.16Å; W40-S44 PolarHBondContact O-OG 2.98Å
45S58.9Low79.7Confident27 Ų2744.5 Ų44.519%0.18924%0.243CC..SBendtrans-103.1155178.472.10000113F41 V47F41-S45 VanDerWaalsContact CD1-CB 3.46Å; F41-S45 VanDerWaalsContact CD1-OG 3.3Å; F41-S45 WeakPolarHBondContact CD1-OG 3.46Å; F41-S45 VanDerWaalsContact CE1-CB 3.42Å; F41-S45 WeakPolarHBondContact O-CB 3.43Å; F41-S45 PolarHBondContact O-N 3.39Å; F41-S45 PolarHBondContact O-OG 3.33Å; S45-V47 PolarHBondContact O-N 3.47Å; S45-V47 WeakPolarHBondContact OG-CB 3.44Å; S45-V47 WeakPolarHBondContact OG-CG2 3.46Å
46N69.6Low79.6Confident111 Ų11143.4 Ų43.459%0.59424%0.239SC*.SBendtrans-74.453.8170.1-62.3-10.7000111E383N46-E383 WeakPolarHBondContact O-CA 3.22Å; N46-E383 WeakPolarHBondContact O-CB 3.49Å
47V85.7Confident79.7Confident18 Ų1845 Ų4511%0.10925%0.246CC..  trans-122.5111.4-179.7-179.50000109.9F41 S45 R51 W52F41-V47 HydrophobicContact CE1-CG2 4.12Å; S45-V47 PolarHBondContact O-N 3.47Å; S45-V47 WeakPolarHBondContact OG-CB 3.44Å; S45-V47 WeakPolarHBondContact OG-CG2 3.46Å; V47-R51 HydrophobicContact CG1-CB 3.67Å; V47-R51 HydrophobicContact CG1-CG 4.46Å; V47-W52 HydrophobicContact CG1-CG 4.46Å
48G89.8Confident80.1Confident14 Ų1444.8 Ų44.814%0.14425%0.245CC..  trans-69.7154.2-176.600000113.9N50 R51 W52 E383G48-N50 PolarHBondContact O-N 2.9Å; G48-R51 PolarHBondContact O-N 3.27Å; G48-W52 PolarHBondContact O-N 2.8Å; G48-E383 WeakPolarHBondContact CA-O 3.23Å; G48-E383 PolarHBondContact N-O 3.14Å
49I93.3Very high80.9Confident44 Ų4443.5 Ų43.523%0.22624%0.239CC..Hα-helixtrans-50.9-33.2-176.5-166.8171.6000114R51 W52 R53 L195 F200 D201 L205I49-R51 PolarHBondContact O-N 3.21Å; I49-W52 PolarHBondContact O-N 2.92Å; I49-R53 VanDerWaalsContact O-CB 3.28Å; I49-R53 WeakPolarHBondContact O-CB 3.39Å; I49-R53 PolarHBondContact O-N 3.15Å; I49-L195 HydrophobicContact CD1-CD1 4.47Å; I49-L195 HydrophobicContact CG1-CD1 4.32Å; I49-L195 HydrophobicContact CG1-CD2 4.22Å; I49-F200 HydrophobicContact CB-CD1 4.19Å; I49-F200 HydrophobicContact CD1-CB 3.94Å; I49-F200 HydrophobicContact CD1-CD1 4.36Å; I49-F200 HydrophobicContact CD1-CG 4.31Å; I49-F200 HydrophobicContact CG1-CB 4.3Å; I49-F200 HydrophobicContact CG1-CD1 4.11Å; I49-F200 HydrophobicContact CG1-CG 4.16Å; I49-D201 WeakPolarHBondContact CD1-O 3.19Å; I49-L205 HydrophobicContact CD1-CD1 4.38Å; I49-L205 HydrophobicContact CD1-CD2 3.87Å; I49-L205 HydrophobicContact CG1-CD2 4.47Å
50N95.5Very high82.6Confident18 Ų1846.2 Ų46.210%0.09625%0.247CC..Hα-helixtrans-62.9-40.4177.7-86.7-35.8000112.7G48 R53 F54 R348 Q349 L386G48-N50 PolarHBondContact O-N 2.9Å; N50-R53 PolarHBondContact OD1-NH2 3.37Å; N50-F54 WeakPolarHBondContact O-CB 3.29Å; N50-F54 PolarHBondContact O-N 3.18Å; N50-R348 PolarHBondContact ND2-O 3.41Å; N50-R348 VanDerWaalsContact ND2-O 3.14Å; N50-Q349 PolarHBondContact ND2-O 3.29Å; N50-L386 HydrophobicContact CB-CD2 4.35Å; N50-L386 WeakPolarHBondContact O-CD2 3.24Å
51R95Very high84.3Confident33 Ų3337.8 Ų37.813%0.12522%0.217CC..Hα-helixtrans-67.6-42.1176.1-79.8-174.855-177.3-10.9111.6V47 G48 I49 L55 R256 E382 L386V47-R51 HydrophobicContact CG1-CB 3.67Å; V47-R51 HydrophobicContact CG1-CG 4.46Å; G48-R51 PolarHBondContact O-N 3.27Å; I49-R51 PolarHBondContact O-N 3.21Å; R51-L55 WeakPolarHBondContact O-CB 3.36Å; R51-L55 PolarHBondContact O-N 3.27Å; R51-R256 VanDerWaalsContact NH2-NH2 3.2Å; R51-E382 WeakPolarHBondContact CD-O 3.39Å; R51-E382 VanDerWaalsContact NH1-CG 3.33Å; R51-E382 PolarHBondContact NH1-O 2.9Å; R51-L386 HydrophobicContact CG-CD2 4.16Å
52W94.8Very high86.1Confident18 Ų1832.7 Ų32.77%0.06820%0.195CC..Hα-helixtrans-63.2-47.5175.6-79.6110000111.9I37 F41 A42 V47 G48 I49 F54 L55 L56 L195 L198 F200I37-W52 HydrophobicContact CD1-CZ3 3.78Å; I37-W52 HydrophobicContact CG1-CH2 4.36Å; I37-W52 HydrophobicContact CG1-CZ3 4.03Å; F41-W52 HydrophobicContact CD1-CZ2 4.25Å; A42-W52 VanDerWaalsContact CA-CZ2 3.47Å; A42-W52 HydrophobicContact CB-CH2 4.15Å; A42-W52 HydrophobicContact CB-CZ2 3.79Å; V47-W52 HydrophobicContact CG1-CG 4.46Å; G48-W52 PolarHBondContact O-N 2.8Å; I49-W52 PolarHBondContact O-N 2.92Å; W52-F54 PolarHBondContact O-N 3.27Å; W52-L55 HydrophobicContact CE3-CD2 4.05Å; W52-L55 HydrophobicContact CZ3-CD2 3.91Å; W52-L55 WeakPolarHBondContact O-CB 3.28Å; W52-L55 PolarHBondContact O-N 3.34Å; W52-L55 VanDerWaalsContact O-N 3.15Å; W52-L56 WeakPolarHBondContact O-CG 3.4Å; W52-L56 PolarHBondContact O-N 3.38Å; W52-L195 HydrophobicContact CB-CD2 4.06Å; W52-L198 HydrophobicContact CD2-CD1 4.43Å; W52-L198 HydrophobicContact CE3-CD1 3.84Å; W52-L198 HydrophobicContact CZ3-CD1 4.17Å; W52-F200 HydrophobicContact CB-CE2 3.98Å; W52-F200 HydrophobicContact CB-CZ 4.3Å; W52-F200 AromaticContact CD1-CE2 3.67Å; W52-F200 AromaticContact CD1-CZ 3.22Å; W52-F200 HydrophobicContact CD2-CE2 4.24Å; W52-F200 HydrophobicContact CD2-CZ 4.43Å; W52-F200 AromaticContact CG-CE2 3.69Å; W52-F200 HydrophobicContact CG-CE2 3.69Å; W52-F200 AromaticContact CG-CZ 3.75Å; W52-F200 HydrophobicContact CG-CZ 3.75Å; W52-F200 AromaticContact NE1-CZ 3.62Å
53R96.4Very high88.2Confident25 Ų2533 Ų339%0.09420%0.196CC..Hα-helixtrans-57.5-45.6176.2-178.3164.759.9165-1.3112.6I49 N50 L55 L56 Q57 L195 S206I49-R53 VanDerWaalsContact O-CB 3.28Å; I49-R53 WeakPolarHBondContact O-CB 3.39Å; I49-R53 PolarHBondContact O-N 3.15Å; N50-R53 PolarHBondContact OD1-NH2 3.37Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.16Å; R53-L56 PolarHBondContact O-N 2.88Å; R53-Q57 WeakPolarHBondContact O-CB 3.48Å; R53-Q57 VanDerWaalsContact O-CG 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.2Å; R53-Q57 PolarHBondContact O-N 2.85Å; R53-L195 HydrophobicContact CB-CD1 4.04Å; R53-L195 HydrophobicContact CB-CD2 4.35Å; R53-L195 HydrophobicContact CG-CD1 4.2Å; R53-S206 PolarHBondContact NH1-O 3.44Å
54F98.3Very high90.8Very high2 Ų232.2 Ų32.21%0.00918%0.179CC..Hα-helixtrans-62.8-40.8177-169.8-78.5000111.7N50 W52 S58 W210 P211 P253 Y254 F257 L386N50-F54 WeakPolarHBondContact O-CB 3.29Å; N50-F54 PolarHBondContact O-N 3.18Å; W52-F54 PolarHBondContact O-N 3.27Å; F54-S58 WeakPolarHBondContact O-CB 3.42Å; F54-S58 PolarHBondContact O-N 2.92Å; F54-S58 VanDerWaalsContact O-N 3.07Å; F54-S58 PolarHBondContact O-OG 3.08Å; F54-W210 HydrophobicContact CD2-CB 4.24Å; F54-W210 WeakPolarHBondContact CD2-O 3.4Å; F54-W210 HydrophobicContact CE2-CB 4.26Å; F54-P211 WeakPolarHBondContact CE2-O 3.47Å; F54-P253 HydrophobicContact CD2-CB 4.4Å; F54-P253 HydrophobicContact CE1-CB 4.39Å; F54-P253 HydrophobicContact CE2-CB 3.68Å; F54-P253 HydrophobicContact CZ-CB 3.68Å; F54-Y254 HydrophobicContact CE2-CD1 4.34Å; F54-Y254 AromaticContact CE2-CE1 3.9Å; F54-Y254 HydrophobicContact CE2-CE1 3.9Å; F54-Y254 AromaticContact CZ-CD1 3.68Å; F54-Y254 HydrophobicContact CZ-CD1 3.68Å; F54-Y254 AromaticContact CZ-CE1 3.69Å; F54-Y254 HydrophobicContact CZ-CE1 3.69Å; F54-Y254 HydrophobicContact CZ-CG 4.27Å; F54-F257 HydrophobicContact CB-CE2 4.43Å; F54-F257 HydrophobicContact CD1-CD1 4.3Å; F54-F257 AromaticContact CD1-CD2 3.3Å; F54-F257 HydrophobicContact CD1-CD2 3.3Å; F54-F257 HydrophobicContact CD1-CE1 4.35Å; F54-F257 AromaticContact CD1-CE2 3.36Å; F54-F257 HydrophobicContact CD1-CE2 3.36Å; F54-F257 AromaticContact CD1-CG 3.8Å; F54-F257 HydrophobicContact CD1-CG 3.8Å; F54-F257 AromaticContact CD1-CZ 3.9Å; F54-F257 HydrophobicContact CD1-CZ 3.9Å; F54-F257 HydrophobicContact CE1-CB 3.99Å; F54-F257 AromaticContact CE1-CD2 3.32Å; F54-F257 HydrophobicContact CE1-CD2 3.32Å; F54-F257 AromaticContact CE1-CE2 3.88Å; F54-F257 HydrophobicContact CE1-CE2 3.88Å; F54-F257 AromaticContact CE1-CG 3.74Å; F54-F257 HydrophobicContact CE1-CG 3.74Å; F54-F257 HydrophobicContact CG-CD2 4.35Å; F54-F257 HydrophobicContact CG-CE2 4.06Å; F54-F257 HydrophobicContact CZ-CD2 4.36Å; F54-L386 HydrophobicContact CB-CD2 3.76Å; F54-L386 HydrophobicContact CD2-CD1 4.25Å; F54-L386 HydrophobicContact CD2-CD2 4.38Å; F54-L386 HydrophobicContact CG-CD2 4.2Å
55L97.6Very high93.3Very high13 Ų1328 Ų287%0.06815%0.149CC..Hα-helixtrans-61.4-54.1175.417559.9000111.2L13 Y35 R51 W52 R53 Q57 S58 L59 F257L13-L55 HydrophobicContact CD1-CD1 3.76Å; Y35-L55 HydrophobicContact CE1-CD2 4.37Å; Y35-L55 HydrophobicContact CE2-CD1 4.16Å; Y35-L55 WeakPolarHBondContact OH-CD2 3.34Å; R51-L55 WeakPolarHBondContact O-CB 3.36Å; R51-L55 PolarHBondContact O-N 3.27Å; W52-L55 HydrophobicContact CE3-CD2 4.05Å; W52-L55 HydrophobicContact CZ3-CD2 3.91Å; W52-L55 WeakPolarHBondContact O-CB 3.28Å; W52-L55 PolarHBondContact O-N 3.34Å; W52-L55 VanDerWaalsContact O-N 3.15Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.16Å; L55-Q57 PolarHBondContact O-N 2.94Å; L55-S58 CarbonylContact O-C 3.55Å; L55-S58 WeakPolarHBondContact O-CA 3.12Å; L55-S58 WeakPolarHBondContact O-CB 3.5Å; L55-S58 PolarHBondContact O-N 2.8Å; L55-L59 HydrophobicContact CD1-CD1 4.32Å; L55-L59 HydrophobicContact CD1-CD2 4.29Å; L55-L59 HydrophobicContact CD1-CG 4.15Å; L55-L59 HydrophobicContact CG-CD1 4.33Å; L55-L59 HydrophobicContact CG-CG 4.48Å; L55-L59 WeakPolarHBondContact O-CG 3.13Å; L55-L59 PolarHBondContact O-N 3.31Å; L55-F257 HydrophobicContact CB-CE1 3.99Å; L55-F257 HydrophobicContact CD1-CD1 4.36Å; L55-F257 HydrophobicContact CD1-CE1 4.25Å
56L97.6Very high95.2Very high6 Ų626.8 Ų26.83%0.03114%0.141CC..Hα-helixtrans-59-46.7-177.4-64.8176.6000111.8W52 R53 S58 L59 E60 V192 P193 L195 L198W52-L56 WeakPolarHBondContact O-CG 3.4Å; W52-L56 PolarHBondContact O-N 3.38Å; R53-L56 PolarHBondContact O-N 2.88Å; L56-S58 PolarHBondContact O-N 2.93Å; L56-L59 CarbonylContact O-C 3.56Å; L56-L59 WeakPolarHBondContact O-CA 3.4Å; L56-L59 WeakPolarHBondContact O-CB 3.43Å; L56-L59 PolarHBondContact O-N 3.44Å; L56-E60 WeakPolarHBondContact O-CG 3.33Å; L56-E60 PolarHBondContact O-N 2.75Å; L56-V192 HydrophobicContact CB-CG1 4.33Å; L56-V192 HydrophobicContact CD2-CG1 3.91Å; L56-P193 WeakPolarHBondContact CD1-O 3.32Å; L56-P193 HydrophobicContact CD2-CG 3.96Å; L56-P193 WeakPolarHBondContact CD2-O 3.31Å; L56-L195 HydrophobicContact CD1-CD2 3.79Å; L56-L195 HydrophobicContact CD1-CG 4.01Å; L56-L198 HydrophobicContact CD1-CD1 4.03Å; L56-L198 HydrophobicContact CD2-CD1 4.27Å
57Q98.6Very high96.5Very high51 Ų5127.2 Ų27.224%0.23813%0.134CC..Hα-helixtrans-59.1-32.4173.5-71.4174.1-12.300112.9R53 L55 D61R53-Q57 WeakPolarHBondContact O-CB 3.48Å; R53-Q57 VanDerWaalsContact O-CG 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.2Å; R53-Q57 PolarHBondContact O-N 2.85Å; L55-Q57 PolarHBondContact O-N 2.94Å; Q57-D61 WeakPolarHBondContact O-CB 3.47Å; Q57-D61 PolarHBondContact O-N 2.93Å
58S98.8Very high97Very high0 Ų032.9 Ų32.90%016%0.157CC..Hα-helixtrans-74-30174.9-54.80000112.9F54 L55 L56 L62 G212 G213F54-S58 WeakPolarHBondContact O-CB 3.42Å; F54-S58 PolarHBondContact O-N 2.92Å; F54-S58 VanDerWaalsContact O-N 3.07Å; F54-S58 PolarHBondContact O-OG 3.08Å; L55-S58 CarbonylContact O-C 3.55Å; L55-S58 WeakPolarHBondContact O-CA 3.12Å; L55-S58 WeakPolarHBondContact O-CB 3.5Å; L55-S58 PolarHBondContact O-N 2.8Å; L56-S58 PolarHBondContact O-N 2.93Å; S58-L62 VanDerWaalsContact O-CB 3.31Å; S58-L62 WeakPolarHBondContact O-CB 3.32Å; S58-L62 PolarHBondContact O-N 2.79Å; S58-G212 WeakPolarHBondContact OG-CA 3.06Å; S58-G213 PolarHBondContact OG-N 3.43Å
59L98.7Very high97.3Very high0 Ų033.4 Ų33.40%016%0.157CC..Hα-helixtrans-76.1-36.5172.8-60.3-177000111.6L13 Y35 L55 L56 L62 D63 L73 V75 V192L13-L59 HydrophobicContact CD1-CD2 4.27Å; L13-L59 HydrophobicContact CD2-CD2 4.1Å; Y35-L59 HydrophobicContact CD1-CD1 3.72Å; Y35-L59 HydrophobicContact CD1-CD2 4.27Å; Y35-L59 HydrophobicContact CD2-CD1 4.5Å; Y35-L59 HydrophobicContact CD2-CD2 3.57Å; Y35-L59 HydrophobicContact CE1-CD1 4.05Å; Y35-L59 HydrophobicContact CE2-CD2 4.05Å; Y35-L59 HydrophobicContact CG-CD1 3.98Å; Y35-L59 HydrophobicContact CG-CD2 3.7Å; L55-L59 HydrophobicContact CD1-CD1 4.32Å; L55-L59 HydrophobicContact CD1-CD2 4.29Å; L55-L59 HydrophobicContact CD1-CG 4.15Å; L55-L59 HydrophobicContact CG-CD1 4.33Å; L55-L59 HydrophobicContact CG-CG 4.48Å; L55-L59 WeakPolarHBondContact O-CG 3.13Å; L55-L59 PolarHBondContact O-N 3.31Å; L56-L59 CarbonylContact O-C 3.56Å; L56-L59 WeakPolarHBondContact O-CA 3.4Å; L56-L59 WeakPolarHBondContact O-CB 3.43Å; L56-L59 PolarHBondContact O-N 3.44Å; L59-L62 PolarHBondContact O-N 2.98Å; L59-D63 PolarHBondContact O-N 2.96Å; L59-L73 HydrophobicContact CB-CD2 3.74Å; L59-L73 HydrophobicContact CD2-CD2 4.05Å; L59-L73 HydrophobicContact CG-CD2 4.37Å; L59-L73 WeakPolarHBondContact O-CD2 3.38Å; L59-V75 HydrophobicContact CD1-CG2 4.37Å; L59-V192 HydrophobicContact CB-CG1 3.89Å; L59-V192 HydrophobicContact CB-CG2 3.9Å
60E98.6Very high97.4Very high102 Ų10238.2 Ų38.248%0.47718%0.183SC..Hα-helixtrans-62-46.9172.6-72.6168.8-170.300111.8L56 L62 D63 S64 V192L56-E60 WeakPolarHBondContact O-CG 3.33Å; L56-E60 PolarHBondContact O-N 2.75Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 2.98Å; E60-D63 PolarHBondContact O-N 3.36Å; E60-S64 VanDerWaalsContact O-CB 3.28Å; E60-S64 WeakPolarHBondContact O-CB 3.47Å; E60-S64 PolarHBondContact O-N 3.45Å; E60-V192 HydrophobicContact CG-CB 4.26Å; E60-V192 HydrophobicContact CG-CG1 4.12Å; E60-V192 HydrophobicContact CG-CG2 4.43Å
61D98.8Very high97.4Very high25 Ų2537.4 Ų37.413%0.13418%0.179CC..Hα-helixtrans-64.6-35176.7-177.257.5000112.3Q57 S65 G213 E214 T215Q57-D61 WeakPolarHBondContact O-CB 3.47Å; Q57-D61 PolarHBondContact O-N 2.93Å; D61-S65 WeakPolarHBondContact O-CB 3.2Å; D61-S65 PolarHBondContact O-N 2.93Å; D61-S65 PolarHBondContact O-OG 2.84Å; D61-G213 WeakPolarHBondContact OD2-CA 3.31Å; D61-E214 WeakPolarHBondContact OD2-CA 3.4Å; D61-E214 PolarHBondContact OD2-N 2.81Å; D61-T215 VanDerWaalsContact OD1-CB 3.22Å; D61-T215 WeakPolarHBondContact OD1-CB 3.37Å; D61-T215 PolarHBondContact OD1-OG1 2.85Å; D61-T215 PolarHBondContact OD2-N 3.01Å; D61-T215 PolarHBondContact OD2-OG1 2.73Å
62L98.7Very high97.6Very high2 Ų236.8 Ų36.81%0.0118%0.177CC..Hα-helixtrans-69.3-43174.7-173.261.5000111.8F9 L15 S58 L59 E60 S65 L66 L73F9-L62 HydrophobicContact CD1-CD2 4.04Å; F9-L62 HydrophobicContact CD2-CD2 3.77Å; F9-L62 HydrophobicContact CE1-CD1 4.3Å; F9-L62 HydrophobicContact CE1-CD2 4.03Å; F9-L62 HydrophobicContact CE2-CD1 4.35Å; F9-L62 HydrophobicContact CE2-CD2 3.75Å; F9-L62 HydrophobicContact CE2-CG 4.38Å; F9-L62 HydrophobicContact CG-CD2 3.91Å; F9-L62 HydrophobicContact CZ-CD1 3.9Å; F9-L62 HydrophobicContact CZ-CD2 3.88Å; F9-L62 HydrophobicContact CZ-CG 4.39Å; L15-L62 HydrophobicContact CD2-CD1 3.83Å; L15-L62 HydrophobicContact CG-CD1 4.09Å; S58-L62 VanDerWaalsContact O-CB 3.31Å; S58-L62 WeakPolarHBondContact O-CB 3.32Å; S58-L62 PolarHBondContact O-N 2.79Å; L59-L62 PolarHBondContact O-N 2.98Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 2.98Å; L62-S65 PolarHBondContact O-N 2.93Å; L62-L66 HydrophobicContact CG-CD1 4.23Å; L62-L66 WeakPolarHBondContact O-CB 3.42Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.44Å; L62-L73 HydrophobicContact CD2-CD1 4.03Å; L62-L73 HydrophobicContact CD2-CD2 4.45Å
63D98.6Very high97.7Very high12 Ų1236 Ų366%0.06417%0.174CC..Hα-helixtrans-62.7-44.9172.4-171.755.7000111.5L59 E60 S65 L66 R67 R72 L73L59-D63 PolarHBondContact O-N 2.96Å; E60-D63 PolarHBondContact O-N 3.36Å; D63-S65 VanDerWaalsContact C-N 3.27Å; D63-S65 PolarHBondContact O-N 3.35Å; D63-L66 PolarHBondContact O-N 2.86Å; D63-R67 VanDerWaalsContact O-CG 3.3Å; D63-R67 WeakPolarHBondContact O-CG 3.4Å; D63-R67 PolarHBondContact O-N 3.09Å; D63-R67 IonicContact OD2-CZ 3.14Å; D63-R67 IonicContact OD2-NE 3.36Å; D63-R67 PolarHBondContact OD2-NE 3.22Å; D63-R67 IonicContact OD2-NH2 2.7Å; D63-R67 PolarHBondContact OD2-NH2 3.01Å; D63-R72 WeakPolarHBondContact OD1-CA 3.43Å; D63-R72 IonicContact OD1-CZ 2.77Å; D63-R72 IonicContact OD1-NE 3.72Å; D63-R72 PolarHBondContact OD1-NE 2.71Å; D63-R72 IonicContact OD1-NH2 3.58Å; D63-R72 PolarHBondContact OD1-NH2 3.31Å; D63-R72 IonicContact OD2-CZ 3.46Å; D63-R72 IonicContact OD2-NE 2.71Å; D63-R72 PolarHBondContact OD2-NE 2.85Å; D63-R72 VanDerWaalsContact OD2-NE 3.14Å; D63-R72 IonicContact OD2-NH2 3.9Å; D63-R72 PolarHBondContact OD2-NH2 3.21Å; D63-L73 HydrophobicContact CB-CB 3.83Å; D63-L73 PolarHBondContact OD1-N 3.14Å
64S98.5Very high97.9Very high52 Ų5235 Ų3536%0.36417%0.17SC..Hα-helixtrans-57-39.9174.6179.20000112E60 K68E60-S64 VanDerWaalsContact O-CB 3.28Å; E60-S64 WeakPolarHBondContact O-CB 3.47Å; E60-S64 PolarHBondContact O-N 3.45Å; S64-K68 WeakPolarHBondContact O-CE 3.49Å; S64-K68 WeakPolarHBondContact O-CG 3.42Å; S64-K68 PolarHBondContact O-N 2.98Å
65S98.1Very high97.8Very high14 Ų1435 Ų3510%0.09817%0.17CC..Hα-helixtrans-76.7-33.4178-63.60000113.1D61 L62 D63 K68D61-S65 WeakPolarHBondContact O-CB 3.2Å; D61-S65 PolarHBondContact O-N 2.93Å; D61-S65 PolarHBondContact O-OG 2.84Å; L62-S65 PolarHBondContact O-N 2.93Å; D63-S65 VanDerWaalsContact C-N 3.27Å; D63-S65 PolarHBondContact O-N 3.35Å; S65-K68 PolarHBondContact O-N 3.02Å; S65-K68 PolarHBondContact OG-NZ 3.33Å
66L97.8Very high97.8Very high3 Ų334.7 Ų34.72%0.01617%0.169CC..Hα-helixtrans-69-35.4171.3-71.6166.8000112.5L15 C33 L62 D63 K68 L69 N70 S71 L73L15-L66 HydrophobicContact CD1-CD2 4.46Å; L15-L66 HydrophobicContact CD2-CD2 4.09Å; C33-L66 HydrophobicContact CB-CD1 3.55Å; C33-L66 HydrophobicContact CB-CD2 4.34Å; L62-L66 HydrophobicContact CG-CD1 4.23Å; L62-L66 WeakPolarHBondContact O-CB 3.42Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.44Å; D63-L66 PolarHBondContact O-N 2.86Å; L66-K68 VanDerWaalsContact C-N 3.27Å; L66-K68 PolarHBondContact O-N 3.28Å; L66-L69 CarbonylContact O-C 3.42Å; L66-L69 WeakPolarHBondContact O-CA 3.29Å; L66-L69 WeakPolarHBondContact O-CB 3.44Å; L66-L69 PolarHBondContact O-N 3.15Å; L66-N70 PolarHBondContact O-N 3.35Å; L66-S71 CarbonylContact C-O 3.59Å; L66-S71 VanDerWaalsContact C-O 3.22Å; L66-S71 CarbonylContact O-C 3.45Å; L66-S71 WeakPolarHBondContact O-CA 3.45Å; L66-S71 PolarHBondContact O-N 3.16Å; L66-S71 VanDerWaalsContact O-O 3.14Å; L66-L73 HydrophobicContact CD1-CB 4.08Å; L66-L73 HydrophobicContact CD1-CD1 4.45Å
67R97Very high97.6Very high120 Ų12039.4 Ų39.445%0.45319%0.186SC..Hα-helixtrans-57.1-38.7173.4-76.5174-171.6-111.513.9112D63 L69 N70 S71 R72 D187D63-R67 VanDerWaalsContact O-CG 3.3Å; D63-R67 WeakPolarHBondContact O-CG 3.4Å; D63-R67 PolarHBondContact O-N 3.09Å; D63-R67 IonicContact OD2-CZ 3.14Å; D63-R67 IonicContact OD2-NE 3.36Å; D63-R67 PolarHBondContact OD2-NE 3.22Å; D63-R67 IonicContact OD2-NH2 2.7Å; D63-R67 PolarHBondContact OD2-NH2 3.01Å; R67-L69 PolarHBondContact O-N 3.24Å; R67-N70 PolarHBondContact O-N 2.91Å; R67-N70 VanDerWaalsContact O-N 3.12Å; R67-S71 VanDerWaalsContact CA-O 3.29Å; R67-S71 WeakPolarHBondContact CA-O 3.14Å; R67-S71 PolarHBondContact N-O 3.22Å; R67-R72 VanDerWaalsContact CG-CD 3.49Å; R67-D187 IonicContact NH2-OD1 2.94Å; R67-D187 IonicContact NH2-OD2 2.77Å
68K96.8Very high97.3Very high136 Ų13637.9 Ų37.959%0.59118%0.184SC*.THydrogen-bonded Turntrans-64.1-17174.8-59.7162.1-158.7155.90113.2S64 S65 L66S64-K68 WeakPolarHBondContact O-CE 3.49Å; S64-K68 WeakPolarHBondContact O-CG 3.42Å; S64-K68 PolarHBondContact O-N 2.98Å; S65-K68 PolarHBondContact O-N 3.02Å; S65-K68 PolarHBondContact OG-NZ 3.33Å; L66-K68 VanDerWaalsContact C-N 3.27Å; L66-K68 PolarHBondContact O-N 3.28Å
69L96Very high96.9Very high26 Ų2641.8 Ų41.814%0.13620%0.202CC..THydrogen-bonded Turntrans-106.617.3178-58.8179000112.6L15 L66 R67 S71 I170 A172 M175L15-L69 HydrophobicContact CD1-CD1 4.01Å; L66-L69 CarbonylContact O-C 3.42Å; L66-L69 WeakPolarHBondContact O-CA 3.29Å; L66-L69 WeakPolarHBondContact O-CB 3.44Å; L66-L69 PolarHBondContact O-N 3.15Å; R67-L69 PolarHBondContact O-N 3.24Å; L69-S71 PolarHBondContact O-N 3.48Å; L69-I170 HydrophobicContact CD1-CG2 4.06Å; L69-A172 HydrophobicContact CD2-CB 4.34Å; L69-M175 HydrophobicContact CB-CG 4.46Å; L69-M175 HydrophobicContact CD1-CG 4.42Å
70N95.1Very high96.8Very high144 Ų14442.5 Ų42.577%0.7721%0.207SC*.THydrogen-bonded Turntrans55.633-173.7-57.2-51000113.5L66 R67L66-N70 PolarHBondContact O-N 3.35Å; R67-N70 PolarHBondContact O-N 2.91Å; R67-N70 VanDerWaalsContact O-N 3.12Å
71S96.5Very high96.6Very high2 Ų240.5 Ų40.51%0.01420%0.201CC..  trans-125.5-179.2177.3-168.40000110.4L66 R67 L69 T180L66-S71 CarbonylContact C-O 3.59Å; L66-S71 VanDerWaalsContact C-O 3.22Å; L66-S71 CarbonylContact O-C 3.45Å; L66-S71 WeakPolarHBondContact O-CA 3.45Å; L66-S71 PolarHBondContact O-N 3.16Å; L66-S71 VanDerWaalsContact O-O 3.14Å; R67-S71 VanDerWaalsContact CA-O 3.29Å; R67-S71 WeakPolarHBondContact CA-O 3.14Å; R67-S71 PolarHBondContact N-O 3.22Å; L69-S71 PolarHBondContact O-N 3.48Å; S71-T180 WeakPolarHBondContact CB-OG1 3.11Å; S71-T180 WeakPolarHBondContact OG-CB 3.44Å; S71-T180 PolarHBondContact OG-OG1 2.7Å
72R97.7Very high96.3Very high20 Ų2044.8 Ų44.88%0.07523%0.225CC..  trans-145.7155.1177.3-65.8-61.5-53.7-75.6-9.9110.3D63 R67 L182 H186 D187D63-R72 WeakPolarHBondContact OD1-CA 3.43Å; D63-R72 IonicContact OD1-CZ 2.77Å; D63-R72 IonicContact OD1-NE 3.72Å; D63-R72 PolarHBondContact OD1-NE 2.71Å; D63-R72 IonicContact OD1-NH2 3.58Å; D63-R72 PolarHBondContact OD1-NH2 3.31Å; D63-R72 IonicContact OD2-CZ 3.46Å; D63-R72 IonicContact OD2-NE 2.71Å; D63-R72 PolarHBondContact OD2-NE 2.85Å; D63-R72 VanDerWaalsContact OD2-NE 3.14Å; D63-R72 IonicContact OD2-NH2 3.9Å; D63-R72 PolarHBondContact OD2-NH2 3.21Å; R67-R72 VanDerWaalsContact CG-CD 3.49Å; R72-L182 HydrophobicContact CB-CD2 3.7Å; R72-L182 HydrophobicContact CG-CD1 3.64Å; R72-L182 HydrophobicContact CG-CD2 3.43Å; R72-L182 VanDerWaalsContact CG-CD2 3.43Å; R72-L182 HydrophobicContact CG-CG 4.19Å; R72-H186 VanDerWaalsContact CB-CE1 3.48Å; R72-H186 WeakPolarHBondContact CB-CE1 3.44Å; R72-H186 VanDerWaalsContact CZ-CD2 3.43Å; R72-H186 PolarHBondContact NH1-CD2 2.99Å; R72-H186 VanDerWaalsContact NH1-CD2 3.27Å; R72-H186 PolarHBondContact NH2-CD2 3.19Å; R72-D187 IonicContact CZ-OD1 2.71Å; R72-D187 IonicContact NH1-OD1 2.7Å; R72-D187 PolarHBondContact NH1-OD1 3.24Å; R72-D187 IonicContact NH1-OD2 2.8Å; R72-D187 IonicContact NH2-OD1 2.69Å; R72-D187 PolarHBondContact NH2-OD1 3.32Å
73L98.6Very high96.2Very high1 Ų144.9 Ų44.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-77.4139.4163-174.364.5000109.5F9 C33 L59 L62 D63 L66 V75 H186 V192F9-L73 HydrophobicContact CD2-CD1 4.23Å; C33-L73 HydrophobicContact CB-CD1 4.45Å; L59-L73 HydrophobicContact CB-CD2 3.74Å; L59-L73 HydrophobicContact CD2-CD2 4.05Å; L59-L73 HydrophobicContact CG-CD2 4.37Å; L59-L73 WeakPolarHBondContact O-CD2 3.38Å; L62-L73 HydrophobicContact CD2-CD1 4.03Å; L62-L73 HydrophobicContact CD2-CD2 4.45Å; D63-L73 HydrophobicContact CB-CB 3.83Å; D63-L73 PolarHBondContact OD1-N 3.14Å; L66-L73 HydrophobicContact CD1-CB 4.08Å; L66-L73 HydrophobicContact CD1-CD1 4.45Å; L73-V75 HydrophobicContact CD2-CG2 3.73Å; L73-V75 HydrophobicContact CG-CG2 3.98Å; L73-H186 PolarHBondContact O-CE1 3.45Å; L73-H186 PolarHBondContact O-NE2 3.47Å; L73-V192 HydrophobicContact CD2-CG2 4.28Å
74F98.7Very high96.2Very high4 Ų444.3 Ų44.32%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-108.399.2171.9-67.9-104.4000108.8R32 C33 V34 Y35 I76 W91 T180 L182 H186 F190R32-F74 HydrophobicContact CB-CD2 4.03Å; R32-F74 HydrophobicContact CB-CE2 4.01Å; R32-F74 HydrophobicContact CG-CD2 4.24Å; R32-F74 HydrophobicContact CG-CE2 3.76Å; R32-F74 HydrophobicContact CG-CZ 3.91Å; C33-F74 PolarHBondContact O-N 2.77Å; V34-F74 WeakPolarHBondContact CA-O 3.43Å; V34-F74 HydrophobicContact CG2-CB 4.11Å; Y35-F74 PolarHBondContact N-O 2.83Å; F74-I76 HydrophobicContact CB-CG1 4.46Å; F74-W91 HydrophobicContact CB-CH2 4.49Å; F74-W91 AromaticContact CD1-CH2 3.97Å; F74-W91 HydrophobicContact CD1-CH2 3.97Å; F74-W91 HydrophobicContact CD1-CZ2 4.26Å; F74-W91 HydrophobicContact CG-CH2 4.37Å; F74-T180 HydrophobicContact CE2-CG2 3.6Å; F74-T180 HydrophobicContact CZ-CG2 3.94Å; F74-L182 HydrophobicContact CE2-CD2 4.33Å; F74-L182 HydrophobicContact CZ-CD2 3.91Å; F74-H186 AromaticContact CD1-CE1 3.72Å; F74-H186 AromaticContact CE1-CE1 3.59Å; F74-H186 AromaticContact CE1-ND1 3.72Å; F74-H186 AromaticContact CE2-CE1 3.92Å; F74-H186 AromaticContact CG-CE1 3.95Å; F74-H186 AromaticContact CZ-CE1 3.7Å; F74-H186 AromaticContact CZ-ND1 3.9Å; F74-F190 HydrophobicContact CB-CB 4.4Å; F74-F190 HydrophobicContact CD1-CB 4.13Å; F74-F190 HydrophobicContact CD1-CD1 4.15Å; F74-F190 AromaticContact CD1-CD2 3.67Å; F74-F190 HydrophobicContact CD1-CD2 3.67Å; F74-F190 HydrophobicContact CD1-CE1 4.47Å; F74-F190 HydrophobicContact CD1-CE2 4.03Å; F74-F190 AromaticContact CD1-CG 3.74Å; F74-F190 HydrophobicContact CD1-CG 3.74Å; F74-F190 HydrophobicContact CD1-CZ 4.41Å; F74-F190 AromaticContact CE1-CD2 3.97Å; F74-F190 HydrophobicContact CE1-CD2 3.97Å; F74-F190 HydrophobicContact CE1-CE2 4.15Å; F74-F190 HydrophobicContact CE1-CG 4.48Å
75V98.1Very high96.2Very high1 Ų144.4 Ų44.41%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-86.6117174.3-1760000109Y35 I37 L59 L73 F190 V192Y35-V75 WeakPolarHBondContact O-CA 3.37Å; I37-V75 HydrophobicContact CB-CG1 4.28Å; I37-V75 HydrophobicContact CG2-CG1 3.61Å; L59-V75 HydrophobicContact CD1-CG2 4.37Å; L73-V75 HydrophobicContact CD2-CG2 3.73Å; L73-V75 HydrophobicContact CG-CG2 3.98Å; V75-F190 PolarHBondContact N-O 2.79Å; V75-F190 WeakPolarHBondContact O-CA 3.32Å; V75-V192 HydrophobicContact CG2-CB 4.48Å; V75-V192 HydrophobicContact CG2-CG2 3.93Å
76I96.9Very high96.2Very high8 Ų850.3 Ų50.34%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-116.6122.7-171.2-53.8177.3000109.3V34 Y35 I36 I37 F74 V83 L87 W91 F190V34-I76 HydrophobicContact CB-CD1 4.49Å; V34-I76 HydrophobicContact CG1-CD1 3.58Å; V34-I76 HydrophobicContact CG1-CG1 4.17Å; V34-I76 HydrophobicContact CG2-CD1 4.08Å; Y35-I76 PolarHBondContact O-N 3.25Å; I36-I76 WeakPolarHBondContact CA-O 3.49Å; I37-I76 PolarHBondContact N-O 3.28Å; F74-I76 HydrophobicContact CB-CG1 4.46Å; I76-V83 HydrophobicContact CB-CG1 4.48Å; I76-V83 HydrophobicContact CG2-CG1 3.7Å; I76-V83 HydrophobicContact CG2-CG2 4.18Å; I76-L87 HydrophobicContact CD1-CD1 3.45Å; I76-L87 VanDerWaalsContact CD1-CD1 3.45Å; I76-L87 HydrophobicContact CD1-CD2 4.04Å; I76-L87 HydrophobicContact CD1-CG 4.35Å; I76-W91 HydrophobicContact CD1-CH2 3.76Å; I76-W91 HydrophobicContact CD1-CZ3 4.32Å; I76-F190 HydrophobicContact CG1-CD1 4.16Å; I76-F190 HydrophobicContact CG1-CE1 4.41Å
77R92.9Very high96.2Very high104 Ų10450.3 Ų50.339%0.39224%0.242SC..EExtended strand (participates in β ladder)trans-79.1126.1179.8-64175.7178.498.3-11110.6I37 P39 E197I37-R77 HydrophobicContact CG2-CG 3.98Å; I37-R77 CarbonylContact O-C 3.55Å; I37-R77 VanDerWaalsContact O-CA 3.28Å; I37-R77 WeakPolarHBondContact O-CA 3.3Å; P39-R77 HydrophobicContact CG-CB 4.29Å; R77-E197 IonicContact NH2-OE2 3.87Å; R77-E197 PolarHBondContact NH2-OE2 3.43Å
78G92.5Very high96.3Very high19 Ų1945.1 Ų45.120%0.19622%0.222CC..SBendtrans136.7-172.1173.300000114.7I36 I37I36-G78 WeakPolarHBondContact CG2-O 3.36Å; I37-G78 PolarHBondContact O-N 2.94Å
79Q91.5Very high96.3Very high83 Ų8347.1 Ų47.139%0.38823%0.231SC..  trans-88.9139.6178.1-77.6-69.4-18.300111.9D38 T81 D82 V83D38-Q79 PolarHBondContact OD2-NE2 2.6Å; Q79-T81 VanDerWaalsContact C-N 3.28Å; Q79-T81 PolarHBondContact O-N 3.03Å; Q79-D82 PolarHBondContact O-N 3.48Å; Q79-D82 VanDerWaalsContact O-N 3.1Å; Q79-V83 WeakPolarHBondContact O-CB 3.47Å; Q79-V83 VanDerWaalsContact O-CG2 3.29Å; Q79-V83 WeakPolarHBondContact O-CG2 3.36Å; Q79-V83 PolarHBondContact O-N 2.81Å
80P94.6Very high96.3Very high15 Ų1550.6 Ų50.610%0.09725%0.247CC..Hα-helixtrans-55.1-37.9-177.1-29.436.8000114.7W8 I36 D82 V83 F84 I113W8-P80 HydrophobicContact CH2-CB 3.96Å; W8-P80 HydrophobicContact CH2-CG 4.19Å; W8-P80 HydrophobicContact CZ2-CB 3.92Å; W8-P80 HydrophobicContact CZ2-CG 3.77Å; I36-P80 HydrophobicContact CB-CG 4.49Å; I36-P80 HydrophobicContact CD1-CB 4.15Å; I36-P80 HydrophobicContact CD1-CG 4.33Å; I36-P80 HydrophobicContact CG2-CG 4.12Å; P80-D82 VanDerWaalsContact C-N 3.27Å; P80-D82 PolarHBondContact O-N 2.8Å; P80-V83 PolarHBondContact O-N 2.69Å; P80-F84 HydrophobicContact CB-CD2 4.08Å; P80-F84 HydrophobicContact CB-CE2 4.11Å; P80-F84 WeakPolarHBondContact O-CB 3.21Å; P80-F84 VanDerWaalsContact O-CD2 3.25Å; P80-F84 WeakPolarHBondContact O-CD2 3.43Å; P80-F84 PolarHBondContact O-N 2.85Å; P80-I113 HydrophobicContact CB-CD1 3.98Å; P80-I113 HydrophobicContact CB-CG1 4.33Å
81T94.8Very high96.5Very high59 Ų5944.9 Ų44.936%0.36221%0.214SC..Hα-helixtrans-63.1-31.3179.9470000113.3Q79 P85 I113 L116Q79-T81 VanDerWaalsContact C-N 3.28Å; Q79-T81 PolarHBondContact O-N 3.03Å; T81-P85 WeakPolarHBondContact O-CD 3.44Å; T81-P85 VanDerWaalsContact O-CG 3.32Å; T81-P85 WeakPolarHBondContact O-CG 3.47Å; T81-I113 HydrophobicContact CG2-CD1 4.07Å; T81-L116 HydrophobicContact CG2-CD1 4.48Å
82D94.1Very high96.5Very high116 Ų11652.5 Ų52.562%0.6225%0.247SC*.Hα-helixtrans-92.7-35-178.3-49.7-26.3000110.7Q79 P80Q79-D82 PolarHBondContact O-N 3.48Å; Q79-D82 VanDerWaalsContact O-N 3.1Å; P80-D82 VanDerWaalsContact C-N 3.27Å; P80-D82 PolarHBondContact O-N 2.8Å
83V96.7Very high96.6Very high3 Ų352.1 Ų52.12%0.01825%0.247CC..Hα-helixtrans-70.2-50.3-178.9168.20000111.4I36 I76 Q79 P80 R86 L87I36-V83 HydrophobicContact CD1-CB 4.22Å; I36-V83 HydrophobicContact CD1-CG1 3.81Å; I36-V83 HydrophobicContact CG1-CG1 4.35Å; I36-V83 HydrophobicContact CG2-CG2 4.45Å; I76-V83 HydrophobicContact CB-CG1 4.48Å; I76-V83 HydrophobicContact CG2-CG1 3.7Å; I76-V83 HydrophobicContact CG2-CG2 4.18Å; Q79-V83 WeakPolarHBondContact O-CB 3.47Å; Q79-V83 VanDerWaalsContact O-CG2 3.29Å; Q79-V83 WeakPolarHBondContact O-CG2 3.36Å; Q79-V83 PolarHBondContact O-N 2.81Å; P80-V83 PolarHBondContact O-N 2.69Å; V83-R86 WeakPolarHBondContact O-CB 3.47Å; V83-R86 PolarHBondContact O-N 2.89Å; V83-L87 HydrophobicContact CG1-CD1 3.53Å; V83-L87 HydrophobicContact CG1-CG 3.9Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.07Å; V83-L87 VanDerWaalsContact O-N 3.08Å
84F98.2Very high96.5Very high0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-60.7-46.6-171.5-85.9-60.3000114.9I6 W8 I36 P80 R86 L87 F88 L96 I113I6-F84 HydrophobicContact CD1-CE1 4.4Å; I6-F84 HydrophobicContact CG2-CE1 4.35Å; W8-F84 HydrophobicContact CB-CZ 3.99Å; W8-F84 AromaticContact CD2-CE2 3.61Å; W8-F84 HydrophobicContact CD2-CE2 3.61Å; W8-F84 AromaticContact CD2-CZ 3.44Å; W8-F84 HydrophobicContact CD2-CZ 3.44Å; W8-F84 VanDerWaalsContact CD2-CZ 3.44Å; W8-F84 AromaticContact CE2-CE2 3.86Å; W8-F84 AromaticContact CE3-CE2 3.52Å; W8-F84 HydrophobicContact CE3-CE2 3.52Å; W8-F84 AromaticContact CE3-CZ 3.58Å; W8-F84 HydrophobicContact CE3-CZ 3.58Å; W8-F84 HydrophobicContact CG-CE2 4.28Å; W8-F84 AromaticContact CG-CZ 3.64Å; W8-F84 HydrophobicContact CG-CZ 3.64Å; W8-F84 AromaticContact CH2-CE2 3.94Å; W8-F84 HydrophobicContact CH2-CE2 3.94Å; W8-F84 HydrophobicContact CZ2-CE2 4.05Å; W8-F84 AromaticContact CZ3-CE2 3.67Å; W8-F84 HydrophobicContact CZ3-CE2 3.67Å; W8-F84 HydrophobicContact CZ3-CZ 4.23Å; I36-F84 HydrophobicContact CD1-CD2 4.02Å; I36-F84 HydrophobicContact CD1-CE1 4.39Å; I36-F84 HydrophobicContact CD1-CE2 3.48Å; I36-F84 VanDerWaalsContact CD1-CE2 3.48Å; I36-F84 HydrophobicContact CD1-CZ 3.68Å; P80-F84 HydrophobicContact CB-CD2 4.08Å; P80-F84 HydrophobicContact CB-CE2 4.11Å; P80-F84 WeakPolarHBondContact O-CB 3.21Å; P80-F84 VanDerWaalsContact O-CD2 3.25Å; P80-F84 WeakPolarHBondContact O-CD2 3.43Å; P80-F84 PolarHBondContact O-N 2.85Å; F84-R86 PolarHBondContact O-N 3.29Å; F84-L87 PolarHBondContact O-N 2.85Å; F84-L87 VanDerWaalsContact O-N 3.08Å; F84-F88 HydrophobicContact CB-CD2 4.5Å; F84-F88 HydrophobicContact CB-CE1 4.29Å; F84-F88 HydrophobicContact CB-CE2 3.88Å; F84-F88 HydrophobicContact CB-CZ 3.77Å; F84-F88 HydrophobicContact CD1-CD1 4.41Å; F84-F88 AromaticContact CD1-CE1 3.59Å; F84-F88 HydrophobicContact CD1-CE1 3.59Å; F84-F88 AromaticContact CD1-CZ 3.71Å; F84-F88 HydrophobicContact CD1-CZ 3.71Å; F84-F88 HydrophobicContact CE1-CE1 4.36Å; F84-F88 HydrophobicContact CG-CE1 4.29Å; F84-F88 AromaticContact CG-CZ 3.97Å; F84-F88 HydrophobicContact CG-CZ 3.97Å; F84-F88 WeakPolarHBondContact O-CD2 3.23Å; F84-F88 WeakPolarHBondContact O-CG 3.36Å; F84-F88 PolarHBondContact O-N 2.82Å; F84-L96 HydrophobicContact CD1-CD2 4.44Å; F84-L96 HydrophobicContact CE1-CD1 3.78Å; F84-L96 HydrophobicContact CE1-CD2 4.16Å; F84-L96 HydrophobicContact CZ-CD1 4.09Å; F84-L96 HydrophobicContact CZ-CD2 4.35Å; F84-I113 HydrophobicContact CD2-CD1 3.85Å; F84-I113 HydrophobicContact CD2-CG1 4.1Å; F84-I113 HydrophobicContact CD2-CG2 3.75Å; F84-I113 HydrophobicContact CE2-CG1 4.42Å; F84-I113 HydrophobicContact CE2-CG2 4.03Å; F84-I113 HydrophobicContact CG-CG2 4.27Å
85P97.9Very high96.5Very high54 Ų5455 Ų5535%0.35126%0.262SS..Hα-helixtrans-57.2-36.4177.6-27.136.5000113.3T81 K89 L116T81-P85 WeakPolarHBondContact O-CD 3.44Å; T81-P85 VanDerWaalsContact O-CG 3.32Å; T81-P85 WeakPolarHBondContact O-CG 3.47Å; P85-K89 PolarHBondContact O-N 3.03Å; P85-L116 HydrophobicContact CG-CD1 4.07Å; P85-L116 HydrophobicContact CG-CD2 4.19Å
86R97.6Very high96.5Very high138 Ų13855 Ų5552%0.52126%0.262SS..Hα-helixtrans-65.8-49.9173.5179.2179.462.1-173.1-2.6111.3V83 F84 F88 K89 E90V83-R86 WeakPolarHBondContact O-CB 3.47Å; V83-R86 PolarHBondContact O-N 2.89Å; F84-R86 PolarHBondContact O-N 3.29Å; R86-F88 PolarHBondContact O-N 3.01Å; R86-K89 PolarHBondContact O-N 3.41Å; R86-E90 WeakPolarHBondContact O-CB 3.33Å; R86-E90 PolarHBondContact O-N 3.15Å
87L98.1Very high96.6Very high4 Ų454.6 Ų54.62%0.02126%0.26CS..Hα-helixtrans-64.1-40.8-177.9-61.9-177.6000112.8I6 I76 V83 F84 K89 E90 W91I6-L87 HydrophobicContact CD1-CB 4.08Å; I6-L87 HydrophobicContact CD1-CD1 4.15Å; I76-L87 HydrophobicContact CD1-CD1 3.45Å; I76-L87 VanDerWaalsContact CD1-CD1 3.45Å; I76-L87 HydrophobicContact CD1-CD2 4.04Å; I76-L87 HydrophobicContact CD1-CG 4.35Å; V83-L87 HydrophobicContact CG1-CD1 3.53Å; V83-L87 HydrophobicContact CG1-CG 3.9Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.07Å; V83-L87 VanDerWaalsContact O-N 3.08Å; F84-L87 PolarHBondContact O-N 2.85Å; F84-L87 VanDerWaalsContact O-N 3.08Å; L87-K89 VanDerWaalsContact C-N 3.26Å; L87-K89 PolarHBondContact O-N 2.71Å; L87-E90 PolarHBondContact O-N 3.38Å; L87-W91 HydrophobicContact CB-CE3 4.14Å; L87-W91 HydrophobicContact CB-CZ3 4.44Å; L87-W91 HydrophobicContact CD1-CE3 4.48Å; L87-W91 HydrophobicContact CD1-CH2 4.34Å; L87-W91 HydrophobicContact CD1-CZ3 3.97Å; L87-W91 HydrophobicContact CD2-CD2 4.17Å; L87-W91 HydrophobicContact CD2-CE3 4.1Å; L87-W91 HydrophobicContact CD2-CH2 3.75Å; L87-W91 HydrophobicContact CD2-CZ2 3.76Å; L87-W91 HydrophobicContact CD2-CZ3 3.9Å; L87-W91 HydrophobicContact CG-CE3 4.46Å; L87-W91 HydrophobicContact CG-CZ3 4.31Å; L87-W91 WeakPolarHBondContact O-CB 3.26Å; L87-W91 PolarHBondContact O-N 3.21Å
88F98.4Very high96.9Very high10 Ų1049.7 Ų49.74%0.04424%0.241CC..Hα-helixtrans-57.5-42.9177.7-61.8-26.9000111.3F84 R86 K92 I93 L96 A117 A120 V122F84-F88 HydrophobicContact CB-CD2 4.5Å; F84-F88 HydrophobicContact CB-CE1 4.29Å; F84-F88 HydrophobicContact CB-CE2 3.88Å; F84-F88 HydrophobicContact CB-CZ 3.77Å; F84-F88 HydrophobicContact CD1-CD1 4.41Å; F84-F88 AromaticContact CD1-CE1 3.59Å; F84-F88 HydrophobicContact CD1-CE1 3.59Å; F84-F88 AromaticContact CD1-CZ 3.71Å; F84-F88 HydrophobicContact CD1-CZ 3.71Å; F84-F88 HydrophobicContact CE1-CE1 4.36Å; F84-F88 HydrophobicContact CG-CE1 4.29Å; F84-F88 AromaticContact CG-CZ 3.97Å; F84-F88 HydrophobicContact CG-CZ 3.97Å; F84-F88 WeakPolarHBondContact O-CD2 3.23Å; F84-F88 WeakPolarHBondContact O-CG 3.36Å; F84-F88 PolarHBondContact O-N 2.82Å; R86-F88 PolarHBondContact O-N 3.01Å; F88-K92 VanDerWaalsContact O-CA 3.28Å; F88-K92 WeakPolarHBondContact O-CA 3.27Å; F88-K92 PolarHBondContact O-N 2.87Å; F88-K92 VanDerWaalsContact O-N 3.15Å; F88-I93 HydrophobicContact CD1-CB 3.99Å; F88-I93 HydrophobicContact CD1-CG1 4.31Å; F88-I93 HydrophobicContact CD1-CG2 4.09Å; F88-I93 HydrophobicContact CE1-CG2 4.49Å; F88-I93 PolarHBondContact O-N 3.2Å; F88-L96 HydrophobicContact CE1-CB 4.46Å; F88-L96 HydrophobicContact CE1-CD2 4.27Å; F88-L96 HydrophobicContact CZ-CD2 3.99Å; F88-A117 HydrophobicContact CE2-CB 4.03Å; F88-A117 HydrophobicContact CZ-CB 4.02Å; F88-A120 HydrophobicContact CB-CB 4.18Å; F88-A120 HydrophobicContact CD2-CB 3.73Å; F88-A120 HydrophobicContact CG-CB 4.32Å; F88-V122 HydrophobicContact CB-CG2 4.19Å; F88-V122 HydrophobicContact CD1-CG2 3.97Å; F88-V122 HydrophobicContact CD2-CG2 4.15Å; F88-V122 HydrophobicContact CE1-CG1 4.18Å; F88-V122 HydrophobicContact CE1-CG2 4.35Å; F88-V122 HydrophobicContact CG-CG2 3.86Å; F88-V122 HydrophobicContact CZ-CG1 4.46Å
89K97.6Very high97.2Very high179 Ų17949.3 Ų49.378%0.77824%0.235SC*.Hα-helixtrans-73.2-49.1177.3-175.2177.3179.1179.70113.2P85 R86 L87P85-K89 PolarHBondContact O-N 3.03Å; R86-K89 PolarHBondContact O-N 3.41Å; L87-K89 VanDerWaalsContact C-N 3.26Å; L87-K89 PolarHBondContact O-N 2.71Å
90E96.9Very high97.5Very high99 Ų9947.6 Ų47.646%0.46323%0.225SC..Hα-helixtrans-65.1-44.9-175.3-170.3-174.6137.300111.7R86 L87 R189R86-E90 WeakPolarHBondContact O-CB 3.33Å; R86-E90 PolarHBondContact O-N 3.15Å; L87-E90 PolarHBondContact O-N 3.38Å; E90-R189 IonicContact OE1-NH2 3.8Å
91W97.5Very high97.7Very high23 Ų2347.4 Ų47.49%0.08722%0.223CC..THydrogen-bonded Turntrans-97.33.7-175.9-57.5-16000113.6I6 R32 V34 F74 I76 L87 I93 F190I6-W91 HydrophobicContact CD1-CE3 3.89Å; I6-W91 HydrophobicContact CD1-CZ3 4.04Å; I6-W91 HydrophobicContact CG1-CE3 4.24Å; I6-W91 HydrophobicContact CG1-CZ3 4.38Å; R32-W91 HydrophobicContact CB-CZ3 4.21Å; R32-W91 VanDerWaalsContact CD-CZ3 3.44Å; R32-W91 HydrophobicContact CG-CZ3 4.48Å; V34-W91 HydrophobicContact CG2-CH2 4.37Å; V34-W91 HydrophobicContact CG2-CZ3 3.91Å; F74-W91 HydrophobicContact CB-CH2 4.49Å; F74-W91 AromaticContact CD1-CH2 3.97Å; F74-W91 HydrophobicContact CD1-CH2 3.97Å; F74-W91 HydrophobicContact CD1-CZ2 4.26Å; F74-W91 HydrophobicContact CG-CH2 4.37Å; I76-W91 HydrophobicContact CD1-CH2 3.76Å; I76-W91 HydrophobicContact CD1-CZ3 4.32Å; L87-W91 HydrophobicContact CB-CE3 4.14Å; L87-W91 HydrophobicContact CB-CZ3 4.44Å; L87-W91 HydrophobicContact CD1-CE3 4.48Å; L87-W91 HydrophobicContact CD1-CH2 4.34Å; L87-W91 HydrophobicContact CD1-CZ3 3.97Å; L87-W91 HydrophobicContact CD2-CD2 4.17Å; L87-W91 HydrophobicContact CD2-CE3 4.1Å; L87-W91 HydrophobicContact CD2-CH2 3.75Å; L87-W91 HydrophobicContact CD2-CZ2 3.76Å; L87-W91 HydrophobicContact CD2-CZ3 3.9Å; L87-W91 HydrophobicContact CG-CE3 4.46Å; L87-W91 HydrophobicContact CG-CZ3 4.31Å; L87-W91 WeakPolarHBondContact O-CB 3.26Å; L87-W91 PolarHBondContact O-N 3.21Å; W91-I93 VanDerWaalsContact C-N 3.3Å; W91-I93 HydrophobicContact CB-CD1 3.59Å; W91-I93 HydrophobicContact CB-CG1 3.96Å; W91-I93 HydrophobicContact CE3-CD1 4.41Å; W91-I93 PolarHBondContact O-N 3.14Å; W91-F190 HydrophobicContact CZ2-CE1 4.18Å; W91-F190 AromaticContact CZ2-CZ 3.95Å; W91-F190 HydrophobicContact CZ2-CZ 3.95Å
92K97.8Very high97.8Very high163 Ų16344.8 Ų44.871%0.70921%0.207SC*.THydrogen-bonded Turntrans50.550.2-179.7-57.2176.6-176.5174.90111.6N4 F88N4-K92 WeakPolarHBondContact CB-O 3.24Å; N4-K92 PolarHBondContact ND2-O 2.98Å; F88-K92 VanDerWaalsContact O-CA 3.28Å; F88-K92 WeakPolarHBondContact O-CA 3.27Å; F88-K92 PolarHBondContact O-N 2.87Å; F88-K92 VanDerWaalsContact O-N 3.15Å
93I98.4Very high97.9Very high12 Ų1240.3 Ų40.36%0.06218%0.183CC..  trans-68.9139.1-175.9-57.5-55.2000109.7N4 I6 F88 W91 R95 V122N4-I93 HydrophobicContact CB-CD1 4.07Å; I6-I93 HydrophobicContact CD1-CD1 4.07Å; I6-I93 HydrophobicContact CD1-CG1 3.78Å; I6-I93 HydrophobicContact CG1-CD1 3.73Å; I6-I93 HydrophobicContact CG1-CG1 3.95Å; I6-I93 HydrophobicContact CG1-CG2 4.35Å; F88-I93 HydrophobicContact CD1-CB 3.99Å; F88-I93 HydrophobicContact CD1-CG1 4.31Å; F88-I93 HydrophobicContact CD1-CG2 4.09Å; F88-I93 HydrophobicContact CE1-CG2 4.49Å; F88-I93 PolarHBondContact O-N 3.2Å; W91-I93 VanDerWaalsContact C-N 3.3Å; W91-I93 HydrophobicContact CB-CD1 3.59Å; W91-I93 HydrophobicContact CB-CG1 3.96Å; W91-I93 HydrophobicContact CE3-CD1 4.41Å; W91-I93 PolarHBondContact O-N 3.14Å; I93-R95 VanDerWaalsContact CG2-O 3.25Å; I93-R95 WeakPolarHBondContact CG2-O 2.98Å; I93-V122 HydrophobicContact CG2-CG1 4.07Å; I93-V122 HydrophobicContact CG2-CG2 4.43Å; I93-V122 WeakPolarHBondContact O-CG2 3.49Å
94S97.6Very high97.8Very high33 Ų3341 Ų4123%0.23119%0.188CC..  trans-113.7-21.5172.861.20000112.6N4 E123N4-S94 PolarHBondContact N-OG 3.43Å; N4-S94 PolarHBondContact O-N 2.87Å; N4-S94 PolarHBondContact O-OG 3.34Å; S94-E123 PolarHBondContact O-N 3.22Å
95R98.6Very high97.4Very high33 Ų3348.3 Ų48.313%0.12522%0.219CC..EExtended strand (participates in β ladder)trans-138138.9179.2-55.1-164.2-65.5-157.5-2113.2I3 N4 T5 I6 S24 L26 I93 E123I3-R95 HydrophobicContact CG2-CG 4.41Å; N4-R95 PolarHBondContact O-N 3.31Å; T5-R95 CarbonylContact C-O 3.46Å; T5-R95 WeakPolarHBondContact CA-O 3.47Å; T5-R95 PolarHBondContact OG1-O 3.15Å; I6-R95 PolarHBondContact N-O 3.46Å; S24-R95 PolarHBondContact O-NH2 3.07Å; L26-R95 PolarHBondContact O-NH1 2.75Å; L26-R95 PolarHBondContact O-NH2 3.03Å; I93-R95 VanDerWaalsContact CG2-O 3.25Å; I93-R95 WeakPolarHBondContact CG2-O 2.98Å; R95-E123 CarbonylContact C-O 3.55Å; R95-E123 WeakPolarHBondContact CA-O 3.49Å; R95-E123 WeakPolarHBondContact CD-OE2 3.39Å; R95-E123 HydrophobicContact CG-CB 4.15Å
96L98.8Very high97.2Very high0 Ų045.8 Ų45.80%020%0.204CC..EExtended strand (participates in β ladder)trans-121130171171.262.9000109.4I6 W8 F84 F88 Y98 I113 V122 E123 V124 T125I6-L96 HydrophobicContact CB-CD1 3.96Å; I6-L96 HydrophobicContact CG2-CD1 3.75Å; I6-L96 CarbonylContact O-C 3.58Å; I6-L96 WeakPolarHBondContact O-CA 3.17Å; W8-L96 HydrophobicContact CB-CD1 3.98Å; F84-L96 HydrophobicContact CD1-CD2 4.44Å; F84-L96 HydrophobicContact CE1-CD1 3.78Å; F84-L96 HydrophobicContact CE1-CD2 4.16Å; F84-L96 HydrophobicContact CZ-CD1 4.09Å; F84-L96 HydrophobicContact CZ-CD2 4.35Å; F88-L96 HydrophobicContact CE1-CB 4.46Å; F88-L96 HydrophobicContact CE1-CD2 4.27Å; F88-L96 HydrophobicContact CZ-CD2 3.99Å; L96-Y98 HydrophobicContact CD1-CD1 4.43Å; L96-Y98 HydrophobicContact CD2-CD1 4.27Å; L96-Y98 HydrophobicContact CD2-CE1 4.03Å; L96-Y98 HydrophobicContact CG-CD1 4.01Å; L96-Y98 HydrophobicContact CG-CE1 4.15Å; L96-I113 HydrophobicContact CD2-CG2 3.74Å; L96-V122 HydrophobicContact CB-CG1 3.89Å; L96-E123 PolarHBondContact N-O 3.3Å; L96-V124 CarbonylContact O-C 3.58Å; L96-V124 WeakPolarHBondContact O-CA 3.31Å; L96-T125 PolarHBondContact O-N 3.32Å
97S98.8Very high97.1Very high0 Ų041.6 Ų41.60%019%0.189CC..EExtended strand (participates in β ladder)trans-123.5147.9173.373.20000113.3I6 H7 W8 A20 S24 T125I6-S97 PolarHBondContact O-N 3.43Å; H7-S97 CarbonylContact C-O 3.55Å; H7-S97 WeakPolarHBondContact CA-O 3.11Å; H7-S97 PolarHBondContact ND1-O 2.8Å; H7-S97 PolarHBondContact ND1-OG 2.84Å; W8-S97 PolarHBondContact N-O 2.89Å; A20-S97 WeakPolarHBondContact O-CB 3.19Å; A20-S97 PolarHBondContact O-OG 3.43Å; S24-S97 WeakPolarHBondContact CB-OG 3.42Å; S24-S97 PolarHBondContact OG-OG 3.45Å; S97-T125 VanDerWaalsContact CA-O 3.23Å; S97-T125 WeakPolarHBondContact CA-O 3.37Å
98Y98.8Very high97Very high0 Ų048.4 Ų48.40%022%0.221CC..EExtended strand (participates in β ladder)trans-160.2161.7173.150.8-91.7000112.7W8 A20 L96 D110 K114 V124 T125 V126 R127W8-Y98 AromaticContact CE3-CD1 3.99Å; W8-Y98 HydrophobicContact CE3-CD1 3.99Å; W8-Y98 HydrophobicContact CE3-CE1 4.43Å; W8-Y98 HydrophobicContact CE3-CG 4.24Å; W8-Y98 WeakPolarHBondContact O-CB 3.43Å; A20-Y98 WeakPolarHBondContact CB-O 3.41Å; L96-Y98 HydrophobicContact CD1-CD1 4.43Å; L96-Y98 HydrophobicContact CD2-CD1 4.27Å; L96-Y98 HydrophobicContact CD2-CE1 4.03Å; L96-Y98 HydrophobicContact CG-CD1 4.01Å; L96-Y98 HydrophobicContact CG-CE1 4.15Å; Y98-D110 HydrophobicContact CE2-CB 4.22Å; Y98-D110 VanDerWaalsContact CE2-OD2 3.24Å; Y98-D110 WeakPolarHBondContact CE2-OD2 3.26Å; Y98-K114 WeakPolarHBondContact OH-CE 3.39Å; Y98-K114 WeakPolarHBondContact OH-CG 3.3Å; Y98-V124 HydrophobicContact CD1-CG1 4.46Å; Y98-V124 HydrophobicContact CE1-CG1 3.52Å; Y98-T125 PolarHBondContact N-O 2.72Å; Y98-T125 VanDerWaalsContact N-O 3.15Å; Y98-V126 HydrophobicContact CD2-CG1 4.15Å; Y98-V126 HydrophobicContact CD2-CG2 4.14Å; Y98-V126 HydrophobicContact CE1-CG2 4.19Å; Y98-V126 HydrophobicContact CE2-CB 4.43Å; Y98-V126 HydrophobicContact CE2-CG1 4Å; Y98-V126 HydrophobicContact CE2-CG2 3.56Å; Y98-V126 WeakPolarHBondContact O-CA 3.46Å; Y98-R127 PolarHBondContact O-N 3.37Å
99E98.6Very high96.8Very high11 Ų1150.2 Ų50.25%0.05123%0.227CC..EExtended strand (participates in β ladder)trans-73.1135.3172-175.3171.4-113.300110.8R10 G12 R14 D101 R127 S129 H130R10-E99 PolarHBondContact NH2-O 3.37Å; G12-E99 WeakPolarHBondContact CA-OE2 3.47Å; G12-E99 PolarHBondContact N-OE2 3.15Å; G12-E99 VanDerWaalsContact N-OE2 3.11Å; R14-E99 IonicContact CZ-OE1 2.69Å; R14-E99 IonicContact NH1-OE1 3.76Å; R14-E99 IonicContact NH2-OE1 3.44Å; R14-E99 PolarHBondContact NH2-OE1 3.05Å; E99-D101 PolarHBondContact O-N 2.73Å; E99-R127 WeakPolarHBondContact CA-O 3.3Å; E99-S129 WeakPolarHBondContact CG-OG 3.43Å; E99-S129 VanDerWaalsContact OE1-CB 3.32Å; E99-S129 WeakPolarHBondContact OE1-CB 3.48Å; E99-S129 PolarHBondContact OE1-OG 3.39Å; E99-H130 HydrophobicContact CG-CB 4.14Å; E99-H130 PolarHBondContact OE1-N 3.01Å; E99-H130 IonicContact OE2-ND1 3.52Å
100Y98.5Very high96.8Very high48 Ų4842 Ų4219%0.18819%0.192CC..  trans-59.9132.1176.8-178.5-128000111K107 V126 R127 I128 D136Y100-K107 WeakPolarHBondContact OH-CE 3.39Å; Y100-V126 HydrophobicContact CD2-CG1 4.27Å; Y100-R127 PolarHBondContact N-O 3.35Å; Y100-I128 HydrophobicContact CD1-CD1 4.18Å; Y100-I128 HydrophobicContact CD1-CG1 3.88Å; Y100-I128 HydrophobicContact CG-CG1 4.27Å; Y100-D136 PolarHBondContact OH-OD2 2.67Å
101D97.8Very high96.8Very high10 Ų1040.1 Ų40.15%0.05319%0.193CC..  trans-114.5107.5177.6-1687.4000108.5K11 E99 E103 R109K11-D101 IonicContact NZ-OD1 2.72Å; K11-D101 PolarHBondContact NZ-OD1 3.23Å; E99-D101 PolarHBondContact O-N 2.73Å; D101-E103 VanDerWaalsContact C-N 3.29Å; D101-E103 PolarHBondContact O-N 3.25Å; D101-R109 IonicContact OD2-CZ 3.36Å; D101-R109 IonicContact OD2-NH1 3.48Å; D101-R109 IonicContact OD2-NH2 3.14Å; D101-R109 PolarHBondContact OD2-NH2 2.94Å
102S97.3Very high96.8Very high5 Ų540.9 Ų40.94%0.03520%0.204CC..  trans-80.4-6.5-174.454.60000113.9K107 L135 Y297 T301S102-K107 VanDerWaalsContact O-CE 3.29Å; S102-K107 WeakPolarHBondContact O-CE 3.44Å; S102-L135 WeakPolarHBondContact OG-CD1 3.44Å; S102-Y297 WeakPolarHBondContact OG-CD1 3.38Å; S102-T301 VanDerWaalsContact O-CA 3.3Å; S102-T301 WeakPolarHBondContact O-CA 3.46Å; S102-T301 WeakPolarHBondContact O-CB 3.28Å; S102-T301 PolarHBondContact O-OG1 3.02Å
103E96Very high96.8Very high21 Ų2133.1 Ų33.110%0.09817%0.171CC..SBendtrans-75.4139.9-179.6-53.1-163.6118.400109.9K11 D101 F105 G106 K107 Y297 W390 S391K11-E103 IonicContact NZ-OE2 3.2Å; K11-E103 PolarHBondContact NZ-OE2 2.92Å; D101-E103 VanDerWaalsContact C-N 3.29Å; D101-E103 PolarHBondContact O-N 3.25Å; E103-F105 PolarHBondContact O-N 2.91Å; E103-G106 CarbonylContact O-C 3.45Å; E103-G106 VanDerWaalsContact O-CA 3.27Å; E103-G106 WeakPolarHBondContact O-CA 3.46Å; E103-G106 PolarHBondContact O-N 2.61Å; E103-K107 PolarHBondContact O-N 3.12Å; E103-Y297 HydrophobicContact CG-CD1 4.26Å; E103-Y297 HydrophobicContact CG-CE1 3.77Å; E103-W390 HydrophobicContact CB-CE3 4.29Å; E103-W390 PolarHBondContact OE1-N 3.35Å; E103-S391 WeakPolarHBondContact CG-OG 3.39Å; E103-S391 WeakPolarHBondContact OE1-CB 3.34Å; E103-S391 PolarHBondContact OE1-N 3.5Å; E103-S391 PolarHBondContact OE1-OG 3.36Å
104P94.6Very high96.8Very high19 Ų1937 Ų3712%0.12319%0.187CC..Hα-helixtrans-54.4-44.7-168.9-30.137.4000114.9G106 K107 E108 A300 P304 W390P104-G106 VanDerWaalsContact C-N 3.3Å; P104-G106 PolarHBondContact O-N 2.8Å; P104-K107 WeakPolarHBondContact O-CB 3.48Å; P104-K107 PolarHBondContact O-N 3.19Å; P104-E108 PolarHBondContact O-N 3.45Å; P104-A300 WeakPolarHBondContact CG-O 3.32Å; P104-P304 HydrophobicContact CB-CB 4.3Å; P104-P304 HydrophobicContact CB-CG 4.37Å; P104-W390 HydrophobicContact CG-CH2 3.76Å; P104-W390 HydrophobicContact CG-CZ3 3.88Å
105F90.9Very high96.9Very high152 Ų15241.9 Ų41.967%0.66720%0.204SC*.Hα-helixtrans-62.5-36.7173.9177.9-102000112.5E103 E108 R109E103-F105 PolarHBondContact O-N 2.91Å; F105-E108 PolarHBondContact O-N 2.66Å; F105-R109 WeakPolarHBondContact O-CB 3.4Å; F105-R109 PolarHBondContact O-N 3.15Å
106G92.9Very high96.8Very high2 Ų242.4 Ų42.42%0.02121%0.209CC..Hα-helixtrans-63.3-44.5174.200000112.2E103 P104 R109 D110E103-G106 CarbonylContact O-C 3.45Å; E103-G106 VanDerWaalsContact O-CA 3.27Å; E103-G106 WeakPolarHBondContact O-CA 3.46Å; E103-G106 PolarHBondContact O-N 2.61Å; P104-G106 VanDerWaalsContact C-N 3.3Å; P104-G106 PolarHBondContact O-N 2.8Å; G106-R109 PolarHBondContact O-NH2 3.23Å; G106-D110 VanDerWaalsContact O-CB 3.26Å; G106-D110 WeakPolarHBondContact O-CB 3.39Å; G106-D110 PolarHBondContact O-N 2.85Å; G106-D110 VanDerWaalsContact O-OD1 3.06Å
107K95.1Very high96.8Very high50 Ų5042.4 Ų42.422%0.21721%0.209CC..Hα-helixtrans-60.4-45174.4-65.2-174.8-179.9-177.50112.4Y100 S102 E103 P104 D110 A111 T301 N302Y100-K107 WeakPolarHBondContact OH-CE 3.39Å; S102-K107 VanDerWaalsContact O-CE 3.29Å; S102-K107 WeakPolarHBondContact O-CE 3.44Å; E103-K107 PolarHBondContact O-N 3.12Å; P104-K107 WeakPolarHBondContact O-CB 3.48Å; P104-K107 PolarHBondContact O-N 3.19Å; K107-D110 PolarHBondContact O-N 3.34Å; K107-A111 WeakPolarHBondContact O-CB 3.32Å; K107-A111 PolarHBondContact O-N 2.9Å; K107-T301 WeakPolarHBondContact CE-O 3.49Å; K107-T301 WeakPolarHBondContact CE-OG1 3.31Å; K107-T301 PolarHBondContact NZ-O 3.07Å; K107-T301 PolarHBondContact NZ-OG1 3.35Å; K107-N302 PolarHBondContact NZ-OD1 3.32Å
108E95.4Very high96.8Very high147 Ų14746.8 Ų46.869%0.68724%0.24SC*.Hα-helixtrans-64.2-50.5-179.2-175.7175.5-173.500111.7P104 F105 D110 A111 A112P104-E108 PolarHBondContact O-N 3.45Å; F105-E108 PolarHBondContact O-N 2.66Å; E108-D110 VanDerWaalsContact C-N 3.29Å; E108-D110 PolarHBondContact O-N 2.87Å; E108-A111 PolarHBondContact O-N 3.4Å; E108-A112 PolarHBondContact O-N 3.44Å; E108-A112 VanDerWaalsContact O-N 3.09Å
109R95.3Very high96.7Very high47 Ų4752.9 Ų52.918%0.17727%0.269CS..Hα-helixtrans-52.7-48.3171.9177.1-161.465.1-142-16.7111.1W8 R10 D101 F105 G106 A111 A112 I113W8-R109 HydrophobicContact CH2-CG 4.32Å; R10-R109 VanDerWaalsContact CZ-NH2 3.31Å; D101-R109 IonicContact OD2-CZ 3.36Å; D101-R109 IonicContact OD2-NH1 3.48Å; D101-R109 IonicContact OD2-NH2 3.14Å; D101-R109 PolarHBondContact OD2-NH2 2.94Å; F105-R109 WeakPolarHBondContact O-CB 3.4Å; F105-R109 PolarHBondContact O-N 3.15Å; G106-R109 PolarHBondContact O-NH2 3.23Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 2.84Å; R109-A112 WeakPolarHBondContact O-CB 3.29Å; R109-A112 PolarHBondContact O-N 2.98Å; R109-I113 WeakPolarHBondContact O-CG1 3.43Å; R109-I113 PolarHBondContact O-N 2.83Å
110D96.8Very high96.7Very high6 Ų654.9 Ų54.93%0.03229%0.287CS..Hα-helixtrans-68.5-32.7-176.3-71.210.1000112.6R10 Y98 G106 K107 E108 I113 K114R10-D110 IonicContact CZ-OD1 3.31Å; R10-D110 IonicContact CZ-OD2 2.85Å; R10-D110 IonicContact NH1-OD1 3.21Å; R10-D110 PolarHBondContact NH1-OD1 3.08Å; R10-D110 IonicContact NH1-OD2 3.42Å; R10-D110 PolarHBondContact NH1-OD2 3.08Å; R10-D110 IonicContact NH2-OD1 3.43Å; R10-D110 PolarHBondContact NH2-OD1 3.31Å; R10-D110 IonicContact NH2-OD2 3.91Å; R10-D110 PolarHBondContact NH2-OD2 2.88Å; Y98-D110 HydrophobicContact CE2-CB 4.22Å; Y98-D110 VanDerWaalsContact CE2-OD2 3.24Å; Y98-D110 WeakPolarHBondContact CE2-OD2 3.26Å; G106-D110 VanDerWaalsContact O-CB 3.26Å; G106-D110 WeakPolarHBondContact O-CB 3.39Å; G106-D110 PolarHBondContact O-N 2.85Å; G106-D110 VanDerWaalsContact O-OD1 3.06Å; K107-D110 PolarHBondContact O-N 3.34Å; E108-D110 VanDerWaalsContact C-N 3.29Å; E108-D110 PolarHBondContact O-N 2.87Å; D110-I113 PolarHBondContact O-N 3.21Å; D110-K114 WeakPolarHBondContact O-CB 3.14Å; D110-K114 VanDerWaalsContact O-CG 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.48Å; D110-K114 PolarHBondContact O-N 3.43Å
111A97.8Very high96.6Very high60 Ų6055.8 Ų55.850%0.49631%0.311SS..Hα-helixtrans-65-41.7172.200000111.5K107 E108 R109 K114 K115K107-A111 WeakPolarHBondContact O-CB 3.32Å; K107-A111 PolarHBondContact O-N 2.9Å; E108-A111 PolarHBondContact O-N 3.4Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 2.84Å; A111-K114 PolarHBondContact O-N 2.91Å; A111-K115 PolarHBondContact O-N 3.33Å; A111-K115 VanDerWaalsContact O-N 3.09Å
112A97.8Very high96.7Very high39 Ų3955.7 Ų55.732%0.32231%0.31SS..Hα-helixtrans-62.8-44.9173.700000112E108 R109 K115 L116E108-A112 PolarHBondContact O-N 3.44Å; E108-A112 VanDerWaalsContact O-N 3.09Å; R109-A112 WeakPolarHBondContact O-CB 3.29Å; R109-A112 PolarHBondContact O-N 2.98Å; A112-K115 WeakPolarHBondContact O-CB 3.29Å; A112-K115 PolarHBondContact O-N 3.38Å; A112-L116 WeakPolarHBondContact O-CG 3.49Å; A112-L116 PolarHBondContact O-N 3.26Å; A112-L116 VanDerWaalsContact O-N 3.08Å
113I98.1Very high96.7Very high0 Ų060.9 Ų60.90%033%0.334CS..Hα-helixtrans-66.2-38.4177.3-59.9-43.8000112W8 P80 T81 F84 L96 R109 D110 K115 L116 A117W8-I113 HydrophobicContact CH2-CG1 4.13Å; W8-I113 HydrophobicContact CZ3-CB 4.37Å; W8-I113 HydrophobicContact CZ3-CG1 4Å; W8-I113 HydrophobicContact CZ3-CG2 4.2Å; P80-I113 HydrophobicContact CB-CD1 3.98Å; P80-I113 HydrophobicContact CB-CG1 4.33Å; T81-I113 HydrophobicContact CG2-CD1 4.07Å; F84-I113 HydrophobicContact CD2-CD1 3.85Å; F84-I113 HydrophobicContact CD2-CG1 4.1Å; F84-I113 HydrophobicContact CD2-CG2 3.75Å; F84-I113 HydrophobicContact CE2-CG1 4.42Å; F84-I113 HydrophobicContact CE2-CG2 4.03Å; F84-I113 HydrophobicContact CG-CG2 4.27Å; L96-I113 HydrophobicContact CD2-CG2 3.74Å; R109-I113 WeakPolarHBondContact O-CG1 3.43Å; R109-I113 PolarHBondContact O-N 2.83Å; D110-I113 PolarHBondContact O-N 3.21Å; I113-K115 VanDerWaalsContact C-N 3.3Å; I113-K115 PolarHBondContact O-N 3.43Å; I113-L116 HydrophobicContact CD1-CD1 4.04Å; I113-L116 PolarHBondContact O-N 3.35Å; I113-A117 WeakPolarHBondContact O-CB 3.49Å; I113-A117 PolarHBondContact O-N 3.33Å
114K98.1Very high96.8Very high93 Ų9361.9 Ų61.940%0.40434%0.342SS..Hα-helixtrans-59.2-40172.9-80.7172.6177-179.90112.5Y98 D110 A111 S118 V124Y98-K114 WeakPolarHBondContact OH-CE 3.39Å; Y98-K114 WeakPolarHBondContact OH-CG 3.3Å; D110-K114 WeakPolarHBondContact O-CB 3.14Å; D110-K114 VanDerWaalsContact O-CG 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.48Å; D110-K114 PolarHBondContact O-N 3.43Å; A111-K114 PolarHBondContact O-N 2.91Å; K114-S118 WeakPolarHBondContact O-CB 3.47Å; K114-S118 PolarHBondContact O-N 3.26Å; K114-V124 HydrophobicContact CG-CB 4.48Å; K114-V124 HydrophobicContact CG-CG1 4.09Å
115K98.3Very high97Very high137 Ų13761.8 Ų61.860%0.59634%0.34SS*.Hα-helixtrans-63.1-51175.3-178.5-179.5168.1-176.20111.3A111 A112 I113 A117 S118 E119A111-K115 PolarHBondContact O-N 3.33Å; A111-K115 VanDerWaalsContact O-N 3.09Å; A112-K115 WeakPolarHBondContact O-CB 3.29Å; A112-K115 PolarHBondContact O-N 3.38Å; I113-K115 VanDerWaalsContact C-N 3.3Å; I113-K115 PolarHBondContact O-N 3.43Å; K115-A117 VanDerWaalsContact C-N 3.3Å; K115-A117 PolarHBondContact O-N 3.5Å; K115-S118 WeakPolarHBondContact O-CB 3.5Å; K115-S118 PolarHBondContact O-N 2.88Å; K115-E119 WeakPolarHBondContact CE-OE1 3.48Å; K115-E119 IonicContact NZ-OE1 3.94Å; K115-E119 WeakPolarHBondContact O-CG 3.4Å; K115-E119 PolarHBondContact O-N 3.07Å
116L98.3Very high97.4Very high43 Ų4356.4 Ų56.423%0.22532%0.32CS..Hα-helixtrans-60.9-36.8178.1-66.6171.2000112.8T81 P85 A112 I113 A120T81-L116 HydrophobicContact CG2-CD1 4.48Å; P85-L116 HydrophobicContact CG-CD1 4.07Å; P85-L116 HydrophobicContact CG-CD2 4.19Å; A112-L116 WeakPolarHBondContact O-CG 3.49Å; A112-L116 PolarHBondContact O-N 3.26Å; A112-L116 VanDerWaalsContact O-N 3.08Å; I113-L116 HydrophobicContact CD1-CD1 4.04Å; I113-L116 PolarHBondContact O-N 3.35Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 2.77Å; L116-A120 VanDerWaalsContact O-N 3.15Å
117A98.3Very high97.6Very high0 Ų061.7 Ų61.70%034%0.34CS..Hα-helixtrans-65.6-45.9174.600000111.7F88 I113 K115 E119 A120 G121 V122 V124F88-A117 HydrophobicContact CE2-CB 4.03Å; F88-A117 HydrophobicContact CZ-CB 4.02Å; I113-A117 WeakPolarHBondContact O-CB 3.49Å; I113-A117 PolarHBondContact O-N 3.33Å; K115-A117 VanDerWaalsContact C-N 3.3Å; K115-A117 PolarHBondContact O-N 3.5Å; A117-E119 PolarHBondContact O-N 3.14Å; A117-A120 CarbonylContact O-C 3.48Å; A117-A120 PolarHBondContact O-N 2.71Å; A117-A120 VanDerWaalsContact O-N 3.1Å; A117-G121 PolarHBondContact O-N 2.97Å; A117-G121 VanDerWaalsContact O-N 3.08Å; A117-V122 HydrophobicContact CB-CB 4.01Å; A117-V122 HydrophobicContact CB-CG1 4.29Å; A117-V122 WeakPolarHBondContact O-CB 3.34Å; A117-V122 PolarHBondContact O-N 3.15Å; A117-V124 HydrophobicContact CB-CG2 3.36Å
118S97.9Very high97.8Very high93 Ų9361.1 Ų61.165%0.6534%0.339SS*.Hα-helixtrans-59.2-44.9175.6-171.50000112.2K114 K115 A120 G121K114-S118 WeakPolarHBondContact O-CB 3.47Å; K114-S118 PolarHBondContact O-N 3.26Å; K115-S118 WeakPolarHBondContact O-CB 3.5Å; K115-S118 PolarHBondContact O-N 2.88Å; S118-A120 PolarHBondContact O-N 2.99Å; S118-G121 PolarHBondContact O-N 2.76Å
119E97.6Very high97.9Very high128 Ų12854.1 Ų54.160%0.59831%0.306SS*.Hα-helixtrans-61.3-28.8175.5-71.6170.2179.800112.9K115 A117K115-E119 WeakPolarHBondContact CE-OE1 3.48Å; K115-E119 IonicContact NZ-OE1 3.94Å; K115-E119 WeakPolarHBondContact O-CG 3.4Å; K115-E119 PolarHBondContact O-N 3.07Å; A117-E119 PolarHBondContact O-N 3.14Å
120A97.6Very high98.1Very high53 Ų5352.1 Ų52.144%0.43830%0.298SS..THydrogen-bonded Turntrans-90.4-1.4175.500000114.3F88 L116 A117 S118 V122F88-A120 HydrophobicContact CB-CB 4.18Å; F88-A120 HydrophobicContact CD2-CB 3.73Å; F88-A120 HydrophobicContact CG-CB 4.32Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 2.77Å; L116-A120 VanDerWaalsContact O-N 3.15Å; A117-A120 CarbonylContact O-C 3.48Å; A117-A120 PolarHBondContact O-N 2.71Å; A117-A120 VanDerWaalsContact O-N 3.1Å; S118-A120 PolarHBondContact O-N 2.99Å; A120-V122 VanDerWaalsContact C-N 3.34Å; A120-V122 HydrophobicContact CB-CG2 4.02Å
121G97.6Very high98.2Very high66 Ų6652 Ų5268%0.6830%0.298SS*.THydrogen-bonded Turntrans71.624.5-175.300000114.5A117 S118A117-G121 PolarHBondContact O-N 2.97Å; A117-G121 VanDerWaalsContact O-N 3.08Å; S118-G121 PolarHBondContact O-N 2.76Å
122V98.5Very high98.2Very high8 Ų849.2 Ų49.25%0.04828%0.275CS..  trans-94.6122.2-179.6177.60000110.2F88 I93 L96 A117 A120F88-V122 HydrophobicContact CB-CG2 4.19Å; F88-V122 HydrophobicContact CD1-CG2 3.97Å; F88-V122 HydrophobicContact CD2-CG2 4.15Å; F88-V122 HydrophobicContact CE1-CG1 4.18Å; F88-V122 HydrophobicContact CE1-CG2 4.35Å; F88-V122 HydrophobicContact CG-CG2 3.86Å; F88-V122 HydrophobicContact CZ-CG1 4.46Å; I93-V122 HydrophobicContact CG2-CG1 4.07Å; I93-V122 HydrophobicContact CG2-CG2 4.43Å; I93-V122 WeakPolarHBondContact O-CG2 3.49Å; L96-V122 HydrophobicContact CB-CG1 3.89Å; A117-V122 HydrophobicContact CB-CB 4.01Å; A117-V122 HydrophobicContact CB-CG1 4.29Å; A117-V122 WeakPolarHBondContact O-CB 3.34Å; A117-V122 PolarHBondContact O-N 3.15Å; A120-V122 VanDerWaalsContact C-N 3.34Å; A120-V122 HydrophobicContact CB-CG2 4.02Å
123E98.2Very high98.2Very high115 Ų11548.4 Ų48.454%0.53726%0.263SS..EExtended strand (participates in β ladder)trans-67.3136.8172-174.8-170.6177.900110.3S94 R95 L96S94-E123 PolarHBondContact O-N 3.22Å; R95-E123 CarbonylContact C-O 3.55Å; R95-E123 WeakPolarHBondContact CA-O 3.49Å; R95-E123 WeakPolarHBondContact CD-OE2 3.39Å; R95-E123 HydrophobicContact CG-CB 4.15Å; L96-E123 PolarHBondContact N-O 3.3Å
124V98.6Very high98.2Very high42 Ų4250.5 Ų50.526%0.25528%0.275SS..EExtended strand (participates in β ladder)trans-116.6116.2-179.4-173.70000111.8L96 Y98 K114 A117 V126L96-V124 CarbonylContact O-C 3.58Å; L96-V124 WeakPolarHBondContact O-CA 3.31Å; Y98-V124 HydrophobicContact CD1-CG1 4.46Å; Y98-V124 HydrophobicContact CE1-CG1 3.52Å; K114-V124 HydrophobicContact CG-CB 4.48Å; K114-V124 HydrophobicContact CG-CG1 4.09Å; A117-V124 HydrophobicContact CB-CG2 3.36Å; V124-V126 HydrophobicContact CG1-CG2 3.93Å
125T98.4Very high98.2Very high16 Ų1646.1 Ų46.110%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-101.1119.7177.6-51.80000110.4E23 L96 S97 Y98E23-T125 HydrophobicContact CB-CG2 4.26Å; E23-T125 VanDerWaalsContact CD-CG2 3.45Å; E23-T125 HydrophobicContact CG-CG2 3.9Å; E23-T125 WeakPolarHBondContact OE2-CG2 3.32Å; L96-T125 PolarHBondContact O-N 3.32Å; S97-T125 VanDerWaalsContact CA-O 3.23Å; S97-T125 WeakPolarHBondContact CA-O 3.37Å; Y98-T125 PolarHBondContact N-O 2.72Å; Y98-T125 VanDerWaalsContact N-O 3.15Å
126V98.4Very high98.1Very high40 Ų4041.8 Ų41.824%0.24224%0.239CC..EExtended strand (participates in β ladder)trans-124.2131.2178-170.90000109.8Y98 Y100 V124Y98-V126 HydrophobicContact CD2-CG1 4.15Å; Y98-V126 HydrophobicContact CD2-CG2 4.14Å; Y98-V126 HydrophobicContact CE1-CG2 4.19Å; Y98-V126 HydrophobicContact CE2-CB 4.43Å; Y98-V126 HydrophobicContact CE2-CG1 4Å; Y98-V126 HydrophobicContact CE2-CG2 3.56Å; Y98-V126 WeakPolarHBondContact O-CA 3.46Å; Y100-V126 HydrophobicContact CD2-CG1 4.27Å; V124-V126 HydrophobicContact CG1-CG2 3.93Å
127R98.4Very high98Very high113 Ų11344.5 Ų44.543%0.42625%0.249SC..EExtended strand (participates in β ladder)trans-129.3145.5178.4-65.8-66.4-172.3146.7-2.3111.7P19 A20 E23 Y98 E99 Y100P19-R127 HydrophobicContact CB-CB 4.07Å; P19-R127 HydrophobicContact CB-CG 4.18Å; P19-R127 HydrophobicContact CG-CB 3.83Å; P19-R127 HydrophobicContact CG-CG 4.48Å; A20-R127 HydrophobicContact CB-CB 4.11Å; A20-R127 HydrophobicContact CB-CG 4.38Å; E23-R127 IonicContact OE1-CZ 3.52Å; E23-R127 IonicContact OE1-NE 2.68Å; E23-R127 IonicContact OE1-NH2 3.41Å; E23-R127 PolarHBondContact OE1-NH2 3.47Å; E23-R127 IonicContact OE2-CZ 3.87Å; E23-R127 VanDerWaalsContact OE2-CZ 3.23Å; E23-R127 IonicContact OE2-NE 2.78Å; E23-R127 PolarHBondContact OE2-NE 3.1Å; E23-R127 IonicContact OE2-NH2 3.59Å; E23-R127 PolarHBondContact OE2-NH2 3.2Å; Y98-R127 PolarHBondContact O-N 3.37Å; E99-R127 WeakPolarHBondContact CA-O 3.3Å; Y100-R127 PolarHBondContact N-O 3.35Å
128I98.5Very high98Very high38 Ų3844.5 Ų44.520%0.19525%0.249CC..  trans-85.5120.8175.4-53.8-178.1000108.2Y100 T131 D134 R263Y100-I128 HydrophobicContact CD1-CD1 4.18Å; Y100-I128 HydrophobicContact CD1-CG1 3.88Å; Y100-I128 HydrophobicContact CG-CG1 4.27Å; I128-T131 WeakPolarHBondContact CG2-OG1 3.48Å; I128-D134 HydrophobicContact CD1-CB 3.84Å; I128-R263 VanDerWaalsContact O-CZ 3.22Å; I128-R263 PolarHBondContact O-NH1 3.26Å; I128-R263 PolarHBondContact O-NH2 3.39Å; I128-R263 VanDerWaalsContact O-NH2 3.1Å
129S98.3Very high98Very high0 Ų040.4 Ų40.40%022%0.22CC..  trans-151.2-9.1171.446.30000114.1R14 E99 T131R14-S129 PolarHBondContact NH2-OG 3.15Å; E99-S129 WeakPolarHBondContact CG-OG 3.43Å; E99-S129 VanDerWaalsContact OE1-CB 3.32Å; E99-S129 WeakPolarHBondContact OE1-CB 3.48Å; E99-S129 PolarHBondContact OE1-OG 3.39Å; S129-T131 PolarHBondContact O-N 2.85Å
130H98.6Very high97.9Very high5 Ų541 Ų412%0.02322%0.223CC..SBendtrans-71.4-22.5172.1-162.756.5000112.2E99 R256 C262 R293 Y297E99-H130 HydrophobicContact CG-CB 4.14Å; E99-H130 PolarHBondContact OE1-N 3.01Å; E99-H130 IonicContact OE2-ND1 3.52Å; H130-R256 PolarHBondContact CE1-O 2.85Å; H130-R256 VanDerWaalsContact CE1-O 3.26Å; H130-C262 PolarHBondContact O-SG 2.99Å; H130-R293 PolarHBondContact CD2-NH2 2.98Å; H130-R293 PolarHBondContact CE1-NH2 2.69Å; H130-R293 PolarHBondContact ND1-NH2 2.87Å; H130-R293 PolarHBondContact NE2-NH2 2.7Å; H130-R293 VanDerWaalsContact O-CZ 3.25Å; H130-R293 PolarHBondContact O-NH1 2.94Å; H130-R293 PolarHBondContact O-NH2 3.28Å; H130-Y297 AromaticContact CD2-CZ 3.82Å; H130-Y297 PolarHBondContact CD2-OH 3.34Å; H130-Y297 AromaticContact NE2-CZ 3.73Å; H130-Y297 PolarHBondContact NE2-OH 3.46Å
131T98.6Very high97.9Very high3 Ų343.1 Ų43.12%0.01823%0.226CC..SBendtrans-119.6155.4177.651.60000111.7I128 S129 Y133 L135 R263 E294 Y297I128-T131 WeakPolarHBondContact CG2-OG1 3.48Å; S129-T131 PolarHBondContact O-N 2.85Å; T131-Y133 VanDerWaalsContact C-N 3.31Å; T131-Y133 WeakPolarHBondContact CB-O 3.18Å; T131-Y133 PolarHBondContact OG1-O 3.14Å; T131-L135 HydrophobicContact CG2-CD1 4.27Å; T131-L135 HydrophobicContact CG2-CD2 4.13Å; T131-L135 HydrophobicContact CG2-CG 4.43Å; T131-R263 PolarHBondContact O-NE 3.3Å; T131-E294 VanDerWaalsContact CA-OE1 3.23Å; T131-E294 WeakPolarHBondContact CA-OE1 3.29Å; T131-E294 WeakPolarHBondContact CB-OE1 3.36Å; T131-E294 WeakPolarHBondContact CB-OE2 3.45Å; T131-Y297 HydrophobicContact CG2-CD2 4.26Å; T131-Y297 HydrophobicContact CG2-CG 4.37Å
132L98.3Very high97.8Very high2 Ų241.6 Ų41.61%0.0120%0.202CC..SBendtrans-65.2-40.6175.3-65179000110.7V163 C262 R263 Y266 L290 L291 E294L132-V163 HydrophobicContact CB-CG1 4.31Å; L132-V163 HydrophobicContact CB-CG2 4.35Å; L132-V163 HydrophobicContact CD2-CG1 4.13Å; L132-C262 HydrophobicContact CD2-CB 4.08Å; L132-C262 WeakPolarHBondContact CD2-O 2.98Å; L132-R263 HydrophobicContact CD2-CG 4.2Å; L132-Y266 HydrophobicContact CD1-CD2 4.03Å; L132-Y266 HydrophobicContact CD2-CD2 4.45Å; L132-Y266 HydrophobicContact CD2-CG 4.17Å; L132-L290 HydrophobicContact CD1-CB 4.1Å; L132-L290 HydrophobicContact CD1-CD1 4.42Å; L132-L291 HydrophobicContact CD1-CD2 4.36Å; L132-E294 HydrophobicContact CB-CG 4.29Å; L132-E294 HydrophobicContact CD1-CG 4.16Å; L132-E294 HydrophobicContact CG-CG 4.27Å; L132-E294 VanDerWaalsContact N-CD 3.28Å; L132-E294 PolarHBondContact N-OE1 3.14Å; L132-E294 PolarHBondContact N-OE2 2.92Å; L132-E294 VanDerWaalsContact N-OE2 3.12Å
133Y97.6Very high97.7Very high22 Ų2244.4 Ų44.49%0.08623%0.233CC..SBendtrans-118.5161.8-174.9-60.6-79.8000112.1T131 L135 I157 M160 V163 E294T131-Y133 VanDerWaalsContact C-N 3.31Å; T131-Y133 WeakPolarHBondContact CB-O 3.18Å; T131-Y133 PolarHBondContact OG1-O 3.14Å; Y133-L135 PolarHBondContact O-N 3.11Å; Y133-I157 HydrophobicContact CD2-CG2 4.41Å; Y133-I157 HydrophobicContact CE2-CB 4.34Å; Y133-I157 HydrophobicContact CE2-CG2 4.25Å; Y133-M160 HydrophobicContact CD1-CE 3.99Å; Y133-M160 HydrophobicContact CD1-SD 4.17Å; Y133-M160 HydrophobicContact CE1-CB 4.46Å; Y133-M160 HydrophobicContact CG-CE 4.38Å; Y133-M160 HydrophobicContact CG-SD 4.49Å; Y133-V163 HydrophobicContact CE1-CG2 3.86Å; Y133-V163 HydrophobicContact CE2-CG2 4.21Å; Y133-E294 PolarHBondContact N-OE2 3.35Å
134D97.6Very high97.6Very high44 Ų4441 Ų4124%0.23523%0.228CC..  trans-71.8113.9159.5-177.2-17.6000108.8I128 D136 K137I128-D134 HydrophobicContact CD1-CB 3.84Å; D134-D136 VanDerWaalsContact C-N 3.35Å; D134-D136 PolarHBondContact OD1-N 3.08Å; D134-D136 VanDerWaalsContact OD1-N 3.12Å; D134-K137 HydrophobicContact CB-CB 4.33Å; D134-K137 HydrophobicContact CB-CD 3.95Å; D134-K137 HydrophobicContact CB-CG 4.11Å; D134-K137 WeakPolarHBondContact OD2-CE 3.34Å; D134-K137 IonicContact OD2-NZ 3.58Å
135L97.9Very high97.3Very high1 Ų145.6 Ų45.61%0.00525%0.247CC..Hα-helixtrans-72.1-31.4-173.4-52.3-176.8000112.2S102 T131 Y133 K137 I138 I139S102-L135 WeakPolarHBondContact OG-CD1 3.44Å; T131-L135 HydrophobicContact CG2-CD1 4.27Å; T131-L135 HydrophobicContact CG2-CD2 4.13Å; T131-L135 HydrophobicContact CG2-CG 4.43Å; Y133-L135 PolarHBondContact O-N 3.11Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-I138 HydrophobicContact CD2-CD1 4.22Å; L135-I138 WeakPolarHBondContact O-CB 3.22Å; L135-I138 PolarHBondContact O-N 3.04Å; L135-I138 VanDerWaalsContact O-N 3.11Å; L135-I139 WeakPolarHBondContact O-CG1 3.28Å; L135-I139 PolarHBondContact O-N 3.18Å
136D96.6Very high97.2Very high45 Ų4545.7 Ų45.724%0.24125%0.249CC..Hα-helixtrans-70.7-35-176.8-63.7-46.8000109.1Y100 D134 I138 I139 E140Y100-D136 PolarHBondContact OH-OD2 2.67Å; D134-D136 VanDerWaalsContact C-N 3.35Å; D134-D136 PolarHBondContact OD1-N 3.08Å; D134-D136 VanDerWaalsContact OD1-N 3.12Å; D136-I138 PolarHBondContact O-N 2.99Å; D136-I139 WeakPolarHBondContact O-CB 3.45Å; D136-I139 PolarHBondContact O-N 3.15Å; D136-I139 VanDerWaalsContact O-N 3.14Å; D136-E140 WeakPolarHBondContact O-CG 3.34Å; D136-E140 PolarHBondContact O-N 3.4Å
137K96.8Very high97Very high100 Ų10043.9 Ų43.944%0.43524%0.237SC..Hα-helixtrans-61.5-34.8167.8-66.7-177.8-171.9170.70114.1D134 L135 I139 L141 M160D134-K137 HydrophobicContact CB-CB 4.33Å; D134-K137 HydrophobicContact CB-CD 3.95Å; D134-K137 HydrophobicContact CB-CG 4.11Å; D134-K137 WeakPolarHBondContact OD2-CE 3.34Å; D134-K137 IonicContact OD2-NZ 3.58Å; L135-K137 VanDerWaalsContact C-N 3.31Å; K137-I139 VanDerWaalsContact C-N 3.28Å; K137-I139 PolarHBondContact O-N 3.04Å; K137-L141 WeakPolarHBondContact O-CB 3.28Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.28Å; K137-L141 PolarHBondContact O-N 2.97Å; K137-M160 HydrophobicContact CB-CE 4.15Å
138I97.7Very high96.8Very high0 Ų042.2 Ų42.20%024%0.237CC..Hα-helixtrans-64.7-38.7175.3-56.8176.2000110.2L135 D136 N142 P147 F153 L156 I157 M160 T298L135-I138 HydrophobicContact CD2-CD1 4.22Å; L135-I138 WeakPolarHBondContact O-CB 3.22Å; L135-I138 PolarHBondContact O-N 3.04Å; L135-I138 VanDerWaalsContact O-N 3.11Å; D136-I138 PolarHBondContact O-N 2.99Å; I138-N142 WeakPolarHBondContact O-CB 3.42Å; I138-N142 PolarHBondContact O-N 3.46Å; I138-P147 HydrophobicContact CG2-CG 4.26Å; I138-F153 HydrophobicContact CD1-CE2 3.86Å; I138-F153 HydrophobicContact CG2-CD2 4.29Å; I138-F153 HydrophobicContact CG2-CE2 4.37Å; I138-L156 HydrophobicContact CG2-CB 4.45Å; I138-L156 HydrophobicContact CG2-CD1 4.22Å; I138-I157 HydrophobicContact CD1-CG2 4.31Å; I138-M160 HydrophobicContact CD1-SD 4.37Å; I138-M160 HydrophobicContact CG1-CE 3.78Å; I138-M160 HydrophobicContact CG1-SD 3.62Å; I138-T298 HydrophobicContact CB-CG2 3.97Å; I138-T298 HydrophobicContact CD1-CG2 4.46Å; I138-T298 HydrophobicContact CG2-CG2 3.83Å
139I97.6Very high96.6Very high8 Ų844 Ų444%0.04125%0.249CC..Hα-helixtrans-71.2-44.2-179.8-65.8167.3000110.3L135 D136 K137 N142 G143 G144 Q145 T298 T301L135-I139 WeakPolarHBondContact O-CG1 3.28Å; L135-I139 PolarHBondContact O-N 3.18Å; D136-I139 WeakPolarHBondContact O-CB 3.45Å; D136-I139 PolarHBondContact O-N 3.15Å; D136-I139 VanDerWaalsContact O-N 3.14Å; K137-I139 VanDerWaalsContact C-N 3.28Å; K137-I139 PolarHBondContact O-N 3.04Å; I139-N142 CarbonylContact O-C 3.52Å; I139-N142 WeakPolarHBondContact O-CA 3.42Å; I139-N142 PolarHBondContact O-N 2.95Å; I139-N142 VanDerWaalsContact O-N 3.09Å; I139-G143 PolarHBondContact O-N 2.82Å; I139-G144 VanDerWaalsContact CG2-C 3.45Å; I139-G144 WeakPolarHBondContact O-CA 3.22Å; I139-G144 PolarHBondContact O-N 3.35Å; I139-Q145 PolarHBondContact O-N 3.08Å; I139-T298 HydrophobicContact CD1-CG2 4.33Å; I139-T298 HydrophobicContact CG1-CG2 3.9Å; I139-T301 HydrophobicContact CD1-CG2 3.43Å; I139-T301 VanDerWaalsContact CD1-CG2 3.43Å
140E96.8Very high96.3Very high141 Ų14145.6 Ų45.666%0.65926%0.255SS*.Hα-helixtrans-56.2-51.3172.7-72.9172.9176.300111.9D136 N142 G143D136-E140 WeakPolarHBondContact O-CG 3.34Å; D136-E140 PolarHBondContact O-N 3.4Å; E140-N142 PolarHBondContact O-N 3.08Å; E140-G143 PolarHBondContact O-N 3.23Å
141L96.3Very high96Very high97 Ų9753.1 Ų53.151%0.50829%0.288SS..THydrogen-bonded Turntrans-61.6-16.6176.6-72.7173.1000113.8K137 L156 M160K137-L141 WeakPolarHBondContact O-CB 3.28Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.28Å; K137-L141 PolarHBondContact O-N 2.97Å; L141-L156 HydrophobicContact CB-CD2 4.2Å; L141-M160 HydrophobicContact CD1-CG 3.6Å; L141-M160 HydrophobicContact CD1-SD 4.34Å
142N97.1Very high95.9Very high33 Ų3358.1 Ų58.118%0.17631%0.307CS..THydrogen-bonded Turntrans-103.114.6175-162.754.9000113.5I138 I139 E140 Q145 R152 L156I138-N142 WeakPolarHBondContact O-CB 3.42Å; I138-N142 PolarHBondContact O-N 3.46Å; I139-N142 CarbonylContact O-C 3.52Å; I139-N142 WeakPolarHBondContact O-CA 3.42Å; I139-N142 PolarHBondContact O-N 2.95Å; I139-N142 VanDerWaalsContact O-N 3.09Å; E140-N142 PolarHBondContact O-N 3.08Å; N142-Q145 WeakPolarHBondContact CB-O 3.34Å; N142-Q145 PolarHBondContact ND2-O 3.03Å; N142-R152 VanDerWaalsContact OD1-CZ 3.28Å; N142-R152 PolarHBondContact OD1-NE 2.9Å; N142-R152 PolarHBondContact OD1-NH2 2.79Å; N142-L156 HydrophobicContact CB-CD1 3.7Å; N142-L156 HydrophobicContact CB-CD2 4.06Å
143G95.9Very high95.8Very high68 Ų6858 Ų5870%0.70131%0.306SS*.THydrogen-bonded Turntrans83.832.1176.300000114.1I139 E140 Q145I139-G143 PolarHBondContact O-N 2.82Å; E140-G143 PolarHBondContact O-N 3.23Å; G143-Q145 VanDerWaalsContact C-N 3.35Å
144G95.1Very high95.6Very high42 Ų4259.4 Ų59.443%0.43331%0.313SS..SBendtrans77.317.5179.400000114.3I139I139-G144 VanDerWaalsContact CG2-C 3.45Å; I139-G144 WeakPolarHBondContact O-CA 3.22Å; I139-G144 PolarHBondContact O-N 3.35Å
145Q94.1Very high95.5Very high139 Ų13959.7 Ų59.765%0.6532%0.317SS*.SBendtrans-133.7138.9-178.9-68-63.8-55.900111.1I139 N142 G143I139-Q145 PolarHBondContact O-N 3.08Å; N142-Q145 WeakPolarHBondContact CB-O 3.34Å; N142-Q145 PolarHBondContact ND2-O 3.03Å; G143-Q145 VanDerWaalsContact C-N 3.35Å
146S95.1Very high95.4Very high19 Ų1960 Ų6013%0.13332%0.318CS..  trans-64.9139.4178.1-58.50000112L148 T298S146-L148 PolarHBondContact O-N 2.84Å; S146-T298 VanDerWaalsContact CB-O 3.24Å; S146-T298 WeakPolarHBondContact CB-O 3.47Å; S146-T298 PolarHBondContact OG-O 3.28Å
147P95.1Very high95.3Very high1 Ų158.1 Ų58.11%0.00631%0.308CS..  trans-69.5120.317827.2-32.9000110.9I138 R152 F153 L156 F295 T298I138-P147 HydrophobicContact CG2-CG 4.26Å; P147-R152 HydrophobicContact CB-CB 4.44Å; P147-R152 HydrophobicContact CB-CG 4.07Å; P147-F153 HydrophobicContact CB-CB 4.18Å; P147-F153 HydrophobicContact CG-CB 3.98Å; P147-F153 HydrophobicContact CG-CD2 3.9Å; P147-F153 HydrophobicContact CG-CG 4.46Å; P147-L156 HydrophobicContact CB-CD1 3.8Å; P147-L156 HydrophobicContact CG-CD1 3.95Å; P147-F295 WeakPolarHBondContact O-CE2 3.48Å; P147-T298 HydrophobicContact CG-CG2 4.28Å
148L93.9Very high95Very high79 Ų7957.1 Ų57.141%0.41431%0.314SS..  trans-92.710.8-178.4-54.5-177000114.5S146 I314 F405S146-L148 PolarHBondContact O-N 2.84Å; L148-I314 HydrophobicContact CD1-CG2 3.76Å; L148-I314 HydrophobicContact CD2-CB 4.5Å; L148-I314 HydrophobicContact CD2-CG2 3.73Å; L148-I314 HydrophobicContact CG-CG2 4.42Å; L148-F405 HydrophobicContact CD2-CE1 4.23Å
149T94.1Very high94.7Very high74 Ų7466.1 Ų66.145%0.45435%0.348SS..SBendtrans-137.1139.3169.366.30000110.5K151 R152 F153 F295T149-K151 VanDerWaalsContact C-N 3.26Å; T149-K151 PolarHBondContact O-N 3.35Å; T149-R152 PolarHBondContact O-N 3.46Å; T149-R152 VanDerWaalsContact OG1-CB 3.23Å; T149-R152 WeakPolarHBondContact OG1-CB 3.35Å; T149-R152 PolarHBondContact OG1-N 3.42Å; T149-F153 PolarHBondContact O-N 3.05Å; T149-F295 VanDerWaalsContact C-CE2 3.5Å
150Y92.8Very high94.5Very high34 Ų3467.4 Ų67.413%0.13335%0.354CS..Hα-helixtrans-60.1-35.5-178.8-174.4-114.2000112.6F153 Q154 L291 W292 F295Y150-F153 HydrophobicContact CD2-CD1 4.22Å; Y150-F153 HydrophobicContact CE2-CD1 4.2Å; Y150-F153 WeakPolarHBondContact O-CB 3.44Å; Y150-F153 PolarHBondContact O-N 3.04Å; Y150-Q154 HydrophobicContact CD1-CG 4.33Å; Y150-Q154 VanDerWaalsContact CE1-CD 3.46Å; Y150-Q154 HydrophobicContact CE1-CG 4.04Å; Y150-Q154 VanDerWaalsContact CE1-NE2 3.35Å; Y150-Q154 HydrophobicContact CE2-CG 4.41Å; Y150-Q154 WeakPolarHBondContact O-CB 3.43Å; Y150-Q154 WeakPolarHBondContact O-CG 3.28Å; Y150-Q154 PolarHBondContact O-N 3.4Å; Y150-L291 HydrophobicContact CE2-CB 4.13Å; Y150-L291 WeakPolarHBondContact OH-CB 3.38Å; Y150-W292 AromaticContact CD1-CE2 3.81Å; Y150-W292 HydrophobicContact CD1-CH2 4.16Å; Y150-W292 AromaticContact CD1-CZ2 3.62Å; Y150-W292 HydrophobicContact CD1-CZ2 3.62Å; Y150-W292 AromaticContact CD2-CD2 3.77Å; Y150-W292 HydrophobicContact CD2-CD2 3.77Å; Y150-W292 AromaticContact CD2-CE2 3.92Å; Y150-W292 AromaticContact CD2-CE3 3.8Å; Y150-W292 HydrophobicContact CD2-CE3 3.8Å; Y150-W292 HydrophobicContact CD2-CG 4.4Å; Y150-W292 HydrophobicContact CD2-CH2 4.17Å; Y150-W292 HydrophobicContact CD2-CZ2 4.13Å; Y150-W292 HydrophobicContact CD2-CZ3 4.01Å; Y150-W292 HydrophobicContact CE1-CD2 4.49Å; Y150-W292 AromaticContact CE1-CE2 3.85Å; Y150-W292 HydrophobicContact CE1-CZ2 4.11Å; Y150-W292 AromaticContact CE1-NE1 3.75Å; Y150-W292 AromaticContact CE2-CD2 3.79Å; Y150-W292 HydrophobicContact CE2-CD2 3.79Å; Y150-W292 AromaticContact CE2-CE2 3.99Å; Y150-W292 HydrophobicContact CE2-CE3 4.23Å; Y150-W292 AromaticContact CE2-CG 3.93Å; Y150-W292 HydrophobicContact CE2-CG 3.93Å; Y150-W292 HydrophobicContact CG-CD2 4.16Å; Y150-W292 AromaticContact CG-CE2 3.84Å; Y150-W292 HydrophobicContact CG-CE3 4.21Å; Y150-W292 AromaticContact CG-CH2 3.71Å; Y150-W292 HydrophobicContact CG-CH2 3.71Å; Y150-W292 AromaticContact CG-CZ2 3.62Å; Y150-W292 HydrophobicContact CG-CZ2 3.62Å; Y150-W292 AromaticContact CG-CZ3 4Å; Y150-W292 HydrophobicContact CG-CZ3 4Å; Y150-W292 AromaticContact CZ-CD1 3.91Å; Y150-W292 AromaticContact CZ-CE2 3.94Å; Y150-W292 AromaticContact CZ-NE1 3.75Å; Y150-F295 HydrophobicContact CD2-CB 4.04Å; Y150-F295 HydrophobicContact CD2-CD1 4.5Å; Y150-F295 HydrophobicContact CD2-CD2 4.37Å; Y150-F295 HydrophobicContact CD2-CG 4.05Å; Y150-F295 HydrophobicContact CE2-CB 4.41Å
151K92.3Very high94.3Very high164 Ų16467 Ų6771%0.71336%0.357SS*.Hα-helixtrans-64.2-39.7174.3-174.5177179.2-179.70112.7T149 T155T149-K151 VanDerWaalsContact C-N 3.26Å; T149-K151 PolarHBondContact O-N 3.35Å; K151-T155 PolarHBondContact O-N 3.49Å; K151-T155 VanDerWaalsContact O-N 3.09Å; K151-T155 PolarHBondContact O-OG1 3.07Å
152R94.5Very high94.1Very high107 Ų10768 Ų6840%0.40437%0.369SS..Hα-helixtrans-66.2-45.2175.1178.158.8177.2-170.60.2110.5N142 P147 T149 Q154 T155 L156N142-R152 VanDerWaalsContact OD1-CZ 3.28Å; N142-R152 PolarHBondContact OD1-NE 2.9Å; N142-R152 PolarHBondContact OD1-NH2 2.79Å; P147-R152 HydrophobicContact CB-CB 4.44Å; P147-R152 HydrophobicContact CB-CG 4.07Å; T149-R152 PolarHBondContact O-N 3.46Å; T149-R152 VanDerWaalsContact OG1-CB 3.23Å; T149-R152 WeakPolarHBondContact OG1-CB 3.35Å; T149-R152 PolarHBondContact OG1-N 3.42Å; R152-Q154 PolarHBondContact O-N 2.86Å; R152-T155 WeakPolarHBondContact O-CB 3.39Å; R152-T155 PolarHBondContact O-N 2.96Å; R152-T155 VanDerWaalsContact O-N 3.09Å; R152-L156 HydrophobicContact CG-CD1 4.21Å; R152-L156 WeakPolarHBondContact O-CG 3.35Å; R152-L156 PolarHBondContact O-N 3.06Å
153F96.6Very high94Very high0 Ų066.8 Ų66.80%036%0.363CS..Hα-helixtrans-54.9-50173.5173.4-94.7000112.1I138 P147 T149 Y150 T155 L156 I157 L291 E294 F295I138-F153 HydrophobicContact CD1-CE2 3.86Å; I138-F153 HydrophobicContact CG2-CD2 4.29Å; I138-F153 HydrophobicContact CG2-CE2 4.37Å; P147-F153 HydrophobicContact CB-CB 4.18Å; P147-F153 HydrophobicContact CG-CB 3.98Å; P147-F153 HydrophobicContact CG-CD2 3.9Å; P147-F153 HydrophobicContact CG-CG 4.46Å; T149-F153 PolarHBondContact O-N 3.05Å; Y150-F153 HydrophobicContact CD2-CD1 4.22Å; Y150-F153 HydrophobicContact CE2-CD1 4.2Å; Y150-F153 WeakPolarHBondContact O-CB 3.44Å; Y150-F153 PolarHBondContact O-N 3.04Å; F153-T155 PolarHBondContact O-N 3.22Å; F153-L156 WeakPolarHBondContact O-CB 3.43Å; F153-L156 PolarHBondContact O-N 2.98Å; F153-I157 HydrophobicContact CD1-CD1 4.35Å; F153-I157 HydrophobicContact CD2-CG2 4.48Å; F153-I157 HydrophobicContact CE1-CD1 3.87Å; F153-I157 HydrophobicContact CE1-CG2 4.1Å; F153-I157 HydrophobicContact CE2-CG2 3.99Å; F153-I157 HydrophobicContact CZ-CD1 4.45Å; F153-I157 HydrophobicContact CZ-CG2 3.74Å; F153-I157 PolarHBondContact O-N 2.92Å; F153-L291 HydrophobicContact CE1-CB 4.25Å; F153-L291 HydrophobicContact CE1-CD2 4.45Å; F153-L291 WeakPolarHBondContact CE1-O 3.4Å; F153-E294 HydrophobicContact CE1-CB 4.33Å; F153-E294 HydrophobicContact CE2-CB 4.31Å; F153-E294 HydrophobicContact CZ-CB 3.55Å; F153-F295 HydrophobicContact CB-CD2 3.62Å; F153-F295 HydrophobicContact CB-CE2 4.21Å; F153-F295 HydrophobicContact CD1-CB 4.03Å; F153-F295 HydrophobicContact CD1-CD2 4.37Å; F153-F295 HydrophobicContact CD2-CB 4.35Å; F153-F295 HydrophobicContact CD2-CD2 4.17Å; F153-F295 HydrophobicContact CE1-CB 4.2Å; F153-F295 HydrophobicContact CE2-CB 4.49Å; F153-F295 HydrophobicContact CG-CB 4.13Å; F153-F295 AromaticContact CG-CD2 3.8Å; F153-F295 HydrophobicContact CG-CD2 3.8Å; F153-F295 HydrophobicContact CG-CG 4.46Å; F153-F295 HydrophobicContact CZ-CB 4.45Å
154Q94.4Very high93.9Very high51 Ų5169.2 Ų69.224%0.23836%0.356CS..Hα-helixtrans-57.4-34.8175-74.7-176.8-46.800113.5Y150 R152 I157 S158 L284Y150-Q154 HydrophobicContact CD1-CG 4.33Å; Y150-Q154 VanDerWaalsContact CE1-CD 3.46Å; Y150-Q154 HydrophobicContact CE1-CG 4.04Å; Y150-Q154 VanDerWaalsContact CE1-NE2 3.35Å; Y150-Q154 HydrophobicContact CE2-CG 4.41Å; Y150-Q154 WeakPolarHBondContact O-CB 3.43Å; Y150-Q154 WeakPolarHBondContact O-CG 3.28Å; Y150-Q154 PolarHBondContact O-N 3.4Å; R152-Q154 PolarHBondContact O-N 2.86Å; Q154-I157 WeakPolarHBondContact O-CG1 3.16Å; Q154-S158 WeakPolarHBondContact O-CB 3.39Å; Q154-S158 PolarHBondContact O-N 2.84Å; Q154-S158 PolarHBondContact O-OG 2.71Å; Q154-L284 HydrophobicContact CB-CD1 4.08Å; Q154-L284 HydrophobicContact CG-CD1 4.26Å
155T95.2Very high94Very high50 Ų5073.6 Ų73.631%0.30737%0.367SS..Hα-helixtrans-73.1-29.1177.6-52.90000112.6K151 R152 F153 S158 R159K151-T155 PolarHBondContact O-N 3.49Å; K151-T155 VanDerWaalsContact O-N 3.09Å; K151-T155 PolarHBondContact O-OG1 3.07Å; R152-T155 WeakPolarHBondContact O-CB 3.39Å; R152-T155 PolarHBondContact O-N 2.96Å; R152-T155 VanDerWaalsContact O-N 3.09Å; F153-T155 PolarHBondContact O-N 3.22Å; T155-S158 PolarHBondContact O-OG 2.63Å; T155-S158 VanDerWaalsContact O-OG 3.07Å; T155-R159 WeakPolarHBondContact O-CG 3.39Å
156L95.9Very high94.2Very high8 Ų868.4 Ų68.44%0.04235%0.345CS..Hα-helixtrans-75.5-53.6177.2-67.5161.1000110.3I138 L141 N142 P147 R152 F153 S158 R159I138-L156 HydrophobicContact CG2-CB 4.45Å; I138-L156 HydrophobicContact CG2-CD1 4.22Å; L141-L156 HydrophobicContact CB-CD2 4.2Å; N142-L156 HydrophobicContact CB-CD1 3.7Å; N142-L156 HydrophobicContact CB-CD2 4.06Å; P147-L156 HydrophobicContact CB-CD1 3.8Å; P147-L156 HydrophobicContact CG-CD1 3.95Å; R152-L156 HydrophobicContact CG-CD1 4.21Å; R152-L156 WeakPolarHBondContact O-CG 3.35Å; R152-L156 PolarHBondContact O-N 3.06Å; F153-L156 WeakPolarHBondContact O-CB 3.43Å; F153-L156 PolarHBondContact O-N 2.98Å; L156-S158 PolarHBondContact O-N 3.43Å; L156-R159 WeakPolarHBondContact O-CB 3.45Å; L156-R159 PolarHBondContact O-N 2.95Å
157I94.7Very high94.3Very high5 Ų568.7 Ų68.73%0.02635%0.348CS..Hα-helixtrans-61.3-28-179.566.3177.3000112.8Y133 I138 F153 Q154 R159 M160 L284 L291Y133-I157 HydrophobicContact CD2-CG2 4.41Å; Y133-I157 HydrophobicContact CE2-CB 4.34Å; Y133-I157 HydrophobicContact CE2-CG2 4.25Å; I138-I157 HydrophobicContact CD1-CG2 4.31Å; F153-I157 HydrophobicContact CD1-CD1 4.35Å; F153-I157 HydrophobicContact CD2-CG2 4.48Å; F153-I157 HydrophobicContact CE1-CD1 3.87Å; F153-I157 HydrophobicContact CE1-CG2 4.1Å; F153-I157 HydrophobicContact CE2-CG2 3.99Å; F153-I157 HydrophobicContact CZ-CD1 4.45Å; F153-I157 HydrophobicContact CZ-CG2 3.74Å; F153-I157 PolarHBondContact O-N 2.92Å; Q154-I157 WeakPolarHBondContact O-CG1 3.16Å; I157-R159 PolarHBondContact O-N 3.25Å; I157-M160 HydrophobicContact CB-SD 4.46Å; I157-M160 HydrophobicContact CG2-SD 4.15Å; I157-M160 PolarHBondContact O-N 2.94Å; I157-L284 HydrophobicContact CD1-CD2 4.42Å; I157-L291 HydrophobicContact CD1-CD1 3.88Å; I157-L291 HydrophobicContact CD1-CD2 3.58Å; I157-L291 HydrophobicContact CD1-CG 4.28Å
158S91.1Very high94.3Very high80 Ų8074.3 Ų74.356%0.55937%0.374SS*.THydrogen-bonded Turntrans-70.9-5.2175.872.60000113.9Q154 T155 L156Q154-S158 WeakPolarHBondContact O-CB 3.39Å; Q154-S158 PolarHBondContact O-N 2.84Å; Q154-S158 PolarHBondContact O-OG 2.71Å; T155-S158 PolarHBondContact O-OG 2.63Å; T155-S158 VanDerWaalsContact O-OG 3.07Å; L156-S158 PolarHBondContact O-N 3.43Å
159R90.8Very high94.3Very high189 Ų18973.4 Ų73.471%0.71338%0.375SS*.THydrogen-bonded Turntrans-114.2-1.4177.1-59173.8-178.8-160.2-4.2112.6T155 L156 I157T155-R159 WeakPolarHBondContact O-CG 3.39Å; L156-R159 WeakPolarHBondContact O-CB 3.45Å; L156-R159 PolarHBondContact O-N 2.95Å; I157-R159 PolarHBondContact O-N 3.25Å
160M93.7Very high94.4Very high35 Ų3570.5 Ų70.517%0.17236%0.356CS..SBendtrans-84.8164.9178-67.5179.977.500111.1Y133 K137 I138 L141 I157Y133-M160 HydrophobicContact CD1-CE 3.99Å; Y133-M160 HydrophobicContact CD1-SD 4.17Å; Y133-M160 HydrophobicContact CE1-CB 4.46Å; Y133-M160 HydrophobicContact CG-CE 4.38Å; Y133-M160 HydrophobicContact CG-SD 4.49Å; K137-M160 HydrophobicContact CB-CE 4.15Å; I138-M160 HydrophobicContact CD1-SD 4.37Å; I138-M160 HydrophobicContact CG1-CE 3.78Å; I138-M160 HydrophobicContact CG1-SD 3.62Å; L141-M160 HydrophobicContact CD1-CG 3.6Å; L141-M160 HydrophobicContact CD1-SD 4.34Å; I157-M160 HydrophobicContact CB-SD 4.46Å; I157-M160 HydrophobicContact CG2-SD 4.15Å; I157-M160 PolarHBondContact O-N 2.94Å
161D92.4Very high94.5Very high132 Ų13271.6 Ų71.671%0.70637%0.366SS*.PPolyproline II helixtrans-56.6154.3167.7-62.5-49.1000111.5
162P91.1Very high94.5Very high118 Ų11867 Ų6777%0.76636%0.36SS*.PPolyproline II helixtrans-54.3147.2172.7-24.834.8000112.3E164P162-E164 PolarHBondContact O-N 3.04Å
163V94.7Very high94.3Very high7 Ų770.4 Ų70.44%0.04238%0.38CS..PPolyproline II helixtrans-51.4134172-178.80000109.6L132 Y133 M165 R263 Y266 F267L132-V163 HydrophobicContact CB-CG1 4.31Å; L132-V163 HydrophobicContact CB-CG2 4.35Å; L132-V163 HydrophobicContact CD2-CG1 4.13Å; Y133-V163 HydrophobicContact CE1-CG2 3.86Å; Y133-V163 HydrophobicContact CE2-CG2 4.21Å; V163-M165 PolarHBondContact O-N 2.68Å; V163-R263 HydrophobicContact CG1-CG 4.19Å; V163-Y266 HydrophobicContact CB-CD1 4.12Å; V163-Y266 HydrophobicContact CB-CE1 3.93Å; V163-Y266 HydrophobicContact CG1-CD1 4.25Å; V163-Y266 HydrophobicContact CG2-CD1 4.08Å; V163-Y266 HydrophobicContact CG2-CE1 3.72Å; V163-Y266 HydrophobicContact CG2-CE2 4.24Å; V163-Y266 HydrophobicContact CG2-CG 4.5Å; V163-F267 HydrophobicContact CB-CE2 4.14Å; V163-F267 HydrophobicContact CB-CZ 4.4Å; V163-F267 HydrophobicContact CG1-CE2 3.97Å; V163-F267 WeakPolarHBondContact O-CZ 3.39Å
164E95.1Very high94Very high119 Ų11972.7 Ų72.756%0.55639%0.392SS*.PPolyproline II helixtrans-59.2134.7176.3-67.8179.2164.600110.8P162 R263 F267P162-E164 PolarHBondContact O-N 3.04Å; E164-R263 IonicContact OE2-CZ 3.47Å; E164-R263 IonicContact OE2-NH1 3.41Å; E164-R263 PolarHBondContact OE2-NH1 2.89Å; E164-R263 IonicContact OE2-NH2 2.71Å; E164-R263 PolarHBondContact OE2-NH2 3.48Å; E164-F267 WeakPolarHBondContact O-CE2 3.45Å
165M96.8Very high93.8Very high135 Ų13571.1 Ų71.167%0.66539%0.385SS*.PPolyproline II helixtrans-55.9141.3174-75.2-65.1-6300110.3V163 A167 F267V163-M165 PolarHBondContact O-N 2.68Å; M165-A167 PolarHBondContact O-N 2.98Å; M165-F267 HydrophobicContact CG-CZ 4.37Å; M165-F267 HydrophobicContact SD-CD1 3.77Å; M165-F267 HydrophobicContact SD-CD2 4.47Å; M165-F267 HydrophobicContact SD-CE1 3.33Å; M165-F267 WeakPolarHBondContact SD-CE1 3.29Å; M165-F267 HydrophobicContact SD-CE2 4.11Å; M165-F267 HydrophobicContact SD-CG 4.32Å; M165-F267 HydrophobicContact SD-CZ 3.52Å; M165-F267 VanDerWaalsContact SD-CZ 3.52Å
166P97.6Very high93.5Very high30 Ų3071.4 Ų71.420%0.19540%0.398CS..PPolyproline II helixtrans-61.9136178-15.529.7000109.7D17 R263 L264 F267D17-P166 HydrophobicContact CB-CB 3.83Å; D17-P166 VanDerWaalsContact OD1-CA 3.31Å; D17-P166 WeakPolarHBondContact OD1-CA 3.48Å; P166-R263 HydrophobicContact CB-CB 4.47Å; P166-R263 HydrophobicContact CG-CB 4.15Å; P166-L264 HydrophobicContact CB-CB 4.5Å; P166-L264 HydrophobicContact CG-CB 4.38Å; P166-F267 HydrophobicContact CG-CD2 3.9Å; P166-F267 HydrophobicContact CG-CG 4.49Å
167A96.9Very high93Very high24 Ų2480.4 Ų80.420%0.19844%0.436CS..PPolyproline II helixtrans-63.8146.7176.600000110.9D17 P19 M165 S169D17-A167 VanDerWaalsContact CA-O 3.31Å; D17-A167 WeakPolarHBondContact CA-O 3.43Å; D17-A167 PolarHBondContact N-O 3.08Å; D17-A167 PolarHBondContact OD1-N 3.19Å; P19-A167 HydrophobicContact CB-CB 4.19Å; M165-A167 PolarHBondContact O-N 2.98Å; A167-S169 PolarHBondContact O-N 3.27Å
168E94.9Very high92.9Very high119 Ų11980.7 Ų80.756%0.55644%0.438SS*.PPolyproline II helixtrans-55.2135.8174.9-64.7165.5153.400110.6R22 I174R22-E168 IonicContact CZ-OE2 2.59Å; R22-E168 IonicContact NE-OE2 2.77Å; R22-E168 PolarHBondContact NE-OE2 2.79Å; R22-E168 IonicContact NH2-OE2 3.65Å; R22-E168 PolarHBondContact NH2-OE2 3.23Å; E168-I174 HydrophobicContact CB-CD1 4.45Å
169S95.7Very high93.1Very high61 Ų6180.8 Ų80.843%0.42744%0.436SS..PPolyproline II helixtrans-60.9144.7175.5-51.70000111.2L15 H16 A167 T171 I174L15-S169 WeakPolarHBondContact O-CA 3.45Å; H16-S169 WeakPolarHBondContact CA-OG 2.89Å; H16-S169 VanDerWaalsContact CB-OG 3.27Å; H16-S169 WeakPolarHBondContact CB-OG 3.44Å; A167-S169 PolarHBondContact O-N 3.27Å; S169-T171 PolarHBondContact O-N 3.46Å; S169-I174 WeakPolarHBondContact O-CD1 3.4Å
170I95.8Very high93.4Very high13 Ų1372.5 Ų72.57%0.06741%0.406CS..PPolyproline II helixtrans-64.9124.1177.1-50.3-51.8000110.2L15 L21 R22 L25 L69 I174 M175L15-I170 PolarHBondContact O-N 3.47Å; L21-I170 HydrophobicContact CD2-CD1 4.43Å; L21-I170 HydrophobicContact CD2-CG1 3.7Å; L21-I170 HydrophobicContact CG-CD1 4.11Å; L21-I170 HydrophobicContact CG-CG1 3.91Å; R22-I170 HydrophobicContact CB-CD1 3.77Å; R22-I170 HydrophobicContact CG-CD1 4.36Å; L25-I170 HydrophobicContact CD1-CD1 4.14Å; L25-I170 HydrophobicContact CD1-CG2 3.77Å; L69-I170 HydrophobicContact CD1-CG2 4.06Å; I170-I174 HydrophobicContact CD1-CG2 4.24Å; I170-I174 HydrophobicContact CG2-CG2 4.4Å; I170-M175 HydrophobicContact CG2-CG 3.97Å; I170-M175 HydrophobicContact CG2-SD 4.03Å
171T94Very high93.4Very high56 Ų5673.5 Ų73.534%0.34442%0.415SS..  trans-115.8168.7176.265.80000110.8S169 E173 I174 M175S169-T171 PolarHBondContact O-N 3.46Å; T171-E173 PolarHBondContact O-N 3.44Å; T171-E173 PolarHBondContact OG1-N 3.14Å; T171-I174 PolarHBondContact O-N 3.37Å; T171-I174 VanDerWaalsContact O-N 3.15Å; T171-I174 PolarHBondContact OG1-N 3.46Å; T171-M175 WeakPolarHBondContact O-CG 3.12Å; T171-M175 PolarHBondContact O-N 2.91Å
172A92.3Very high93.6Very high69 Ų6971.3 Ų71.357%0.5740%0.403SS*.Hα-helixtrans-59.1-29171.300000112.6L69 G176L69-A172 HydrophobicContact CD2-CB 4.34Å; A172-G176 PolarHBondContact O-N 3.49Å
173E91.3Very high93.7Very high177 Ų17768.2 Ų68.283%0.82739%0.385SS*.Hα-helixtrans-70-40175.5-59.1176.1169.300112T171 G176T171-E173 PolarHBondContact O-N 3.44Å; T171-E173 PolarHBondContact OG1-N 3.14Å; E173-G176 WeakPolarHBondContact O-CA 3.18Å; E173-G176 PolarHBondContact O-N 3.13Å
174I90.3Very high93.5Very high49 Ų4977.9 Ų77.925%0.25143%0.429SS..Hα-helixtrans-70.9-36.7176.2-68.2167.5000111.2L25 E168 S169 I170 T171 G176L25-I174 HydrophobicContact CD1-CG2 3.94Å; E168-I174 HydrophobicContact CB-CD1 4.45Å; S169-I174 WeakPolarHBondContact O-CD1 3.4Å; I170-I174 HydrophobicContact CD1-CG2 4.24Å; I170-I174 HydrophobicContact CG2-CG2 4.4Å; T171-I174 PolarHBondContact O-N 3.37Å; T171-I174 VanDerWaalsContact O-N 3.15Å; T171-I174 PolarHBondContact OG1-N 3.46Å; I174-G176 VanDerWaalsContact C-N 3.34Å
175M90.2Very high93.5Very high18 Ų1875.1 Ų75.19%0.08942%0.418CS..Hα-helixtrans-61.8-44.4169-67.3-72.8-69.100110.4L25 V31 L69 I170 T171 K177 C178L25-M175 HydrophobicContact CD1-SD 3.79Å; L25-M175 HydrophobicContact CD2-SD 3.77Å; L25-M175 HydrophobicContact CG-SD 4.46Å; V31-M175 HydrophobicContact CG1-CE 3.68Å; V31-M175 HydrophobicContact CG1-SD 4.36Å; L69-M175 HydrophobicContact CB-CG 4.46Å; L69-M175 HydrophobicContact CD1-CG 4.42Å; I170-M175 HydrophobicContact CG2-CG 3.97Å; I170-M175 HydrophobicContact CG2-SD 4.03Å; T171-M175 WeakPolarHBondContact O-CG 3.12Å; T171-M175 PolarHBondContact O-N 2.91Å; M175-K177 PolarHBondContact O-N 2.92Å; M175-K177 VanDerWaalsContact O-N 3.07Å; M175-C178 WeakPolarHBondContact O-CB 3.42Å; M175-C178 PolarHBondContact O-N 3.47Å
176G88Confident93.5Very high56 Ų5668.9 Ų68.958%0.57739%0.387SS*.THydrogen-bonded Turntrans60.8-109168.500000113.1A172 E173 I174A172-G176 PolarHBondContact O-N 3.49Å; E173-G176 WeakPolarHBondContact O-CA 3.18Å; E173-G176 PolarHBondContact O-N 3.13Å; I174-G176 VanDerWaalsContact C-N 3.34Å
177K86.2Confident93.3Very high197 Ų19771.4 Ų71.486%0.85740%0.399SS*.THydrogen-bonded Turntrans-95.2-8.4175.6-65.2-176.2-179.2179.30113.5M175 T179M175-K177 PolarHBondContact O-N 2.92Å; M175-K177 VanDerWaalsContact O-N 3.07Å; K177-T179 PolarHBondContact O-N 2.9Å
178C92.8Very high93.1Very high10 Ų1077 Ų777%0.06843%0.426CS..  trans-71.2125.4-179.6-168.40000109.5L25 A28 D29 V31 M175L25-C178 HydrophobicContact CD2-CB 4.4Å; A28-C178 HydrophobicContact CB-CB 4.4Å; A28-C178 VanDerWaalsContact CB-SG 3.52Å; A28-C178 WeakPolarHBondContact O-CB 3.25Å; D29-C178 WeakPolarHBondContact O-CA 3.01Å; V31-C178 VanDerWaalsContact CG1-SG 3.54Å; V31-C178 PolarHBondContact N-SG 2.93Å; V31-C178 VanDerWaalsContact N-SG 3.43Å; M175-C178 WeakPolarHBondContact O-CB 3.42Å; M175-C178 PolarHBondContact O-N 3.47Å
179T94.3Very high93Very high83 Ų8376.6 Ų76.651%0.50942%0.419SS..BIsolated β-bridgetrans-111.6160.7-177.757.20000111.7D29 T30 V31 K177D29-T179 PolarHBondContact O-N 2.7Å; D29-T179 PolarHBondContact O-OG1 2.96Å; T30-T179 CarbonylContact C-O 3.53Å; T30-T179 WeakPolarHBondContact CA-O 3.29Å; T30-T179 WeakPolarHBondContact CB-O 3.47Å; V31-T179 PolarHBondContact N-O 3.1Å; K177-T179 PolarHBondContact O-N 2.9Å
180T96.9Very high93.1Very high14 Ų1474.8 Ų74.89%0.08640%0.404CS..  trans-112113.5169.1-64.30000108.1V31 S71 F74 L182V31-T180 WeakPolarHBondContact O-CB 3.44Å; V31-T180 WeakPolarHBondContact O-CG2 3.49Å; V31-T180 PolarHBondContact O-OG1 3.31Å; S71-T180 WeakPolarHBondContact CB-OG1 3.11Å; S71-T180 WeakPolarHBondContact OG-CB 3.44Å; S71-T180 PolarHBondContact OG-OG1 2.7Å; F74-T180 HydrophobicContact CE2-CG2 3.6Å; F74-T180 HydrophobicContact CZ-CG2 3.94Å; T180-L182 HydrophobicContact CG2-CD2 3.71Å; T180-L182 HydrophobicContact CG2-CG 4.25Å; T180-L182 PolarHBondContact O-N 3.43Å
181P95.3Very high93.1Very high56 Ų5674.8 Ų74.836%0.36441%0.407SS..  trans-70118.5175.2-18.131.5000109.8T30T30-P181 HydrophobicContact CG2-CG 3.86Å
182L94.6Very high93.3Very high86 Ų8673.7 Ų73.745%0.4540%0.4SS..  trans-115.6156.7-179.6-59.1176000110.5R72 F74 T180R72-L182 HydrophobicContact CB-CD2 3.7Å; R72-L182 HydrophobicContact CG-CD1 3.64Å; R72-L182 HydrophobicContact CG-CD2 3.43Å; R72-L182 VanDerWaalsContact CG-CD2 3.43Å; R72-L182 HydrophobicContact CG-CG 4.19Å; F74-L182 HydrophobicContact CE2-CD2 4.33Å; F74-L182 HydrophobicContact CZ-CD2 3.91Å; T180-L182 HydrophobicContact CG2-CD2 3.71Å; T180-L182 HydrophobicContact CG2-CG 4.25Å; T180-L182 PolarHBondContact O-N 3.43Å
183S93.8Very high93.4Very high54 Ų5470.5 Ų70.538%0.37837%0.373SS..  trans-126.6161.1172.551.90000110D185 H186S183-D185 WeakPolarHBondContact CB-OD1 3.36Å; S183-D185 PolarHBondContact O-N 3.01Å; S183-D185 PolarHBondContact OG-OD1 3.39Å; S183-H186 WeakPolarHBondContact O-CB 3.36Å; S183-H186 PolarHBondContact O-N 2.88Å
184E91.8Very high93.5Very high209 Ų20964 Ų6498%0.97735%0.347SS*.THydrogen-bonded Turntrans-65.6-28.6-178.4-62-173.615500112.2H186E184-H186 VanDerWaalsContact C-N 3.25Å; E184-H186 PolarHBondContact O-N 2.93Å
185D95Very high93.6Very high61 Ų6162.5 Ų62.533%0.32634%0.34SS..THydrogen-bonded Turntrans-83.217.4175.569.4-22.4000114S183 D187 D188 R189S183-D185 WeakPolarHBondContact CB-OD1 3.36Å; S183-D185 PolarHBondContact O-N 3.01Å; S183-D185 PolarHBondContact OG-OD1 3.39Å; D185-D187 PolarHBondContact O-N 3.33Å; D185-D188 PolarHBondContact O-N 3.21Å; D185-R189 PolarHBondContact O-N 3.41Å; D185-R189 WeakPolarHBondContact OD2-CD 3.11Å; D185-R189 IonicContact OD2-NH1 2.73Å; D185-R189 PolarHBondContact OD2-NH1 3.38Å
186H96.2Very high93.7Very high5 Ų566.7 Ų66.72%0.02336%0.359CS..Hα-helixtrans-58.8-45-176.4-178.3100.9000112.3R72 L73 F74 S183 E184 R189 F190 G191R72-H186 VanDerWaalsContact CB-CE1 3.48Å; R72-H186 WeakPolarHBondContact CB-CE1 3.44Å; R72-H186 VanDerWaalsContact CZ-CD2 3.43Å; R72-H186 PolarHBondContact NH1-CD2 2.99Å; R72-H186 VanDerWaalsContact NH1-CD2 3.27Å; R72-H186 PolarHBondContact NH2-CD2 3.19Å; L73-H186 PolarHBondContact O-CE1 3.45Å; L73-H186 PolarHBondContact O-NE2 3.47Å; F74-H186 AromaticContact CD1-CE1 3.72Å; F74-H186 AromaticContact CE1-CE1 3.59Å; F74-H186 AromaticContact CE1-ND1 3.72Å; F74-H186 AromaticContact CE2-CE1 3.92Å; F74-H186 AromaticContact CG-CE1 3.95Å; F74-H186 AromaticContact CZ-CE1 3.7Å; F74-H186 AromaticContact CZ-ND1 3.9Å; S183-H186 WeakPolarHBondContact O-CB 3.36Å; S183-H186 PolarHBondContact O-N 2.88Å; E184-H186 VanDerWaalsContact C-N 3.25Å; E184-H186 PolarHBondContact O-N 2.93Å; H186-R189 PolarHBondContact O-N 3.14Å; H186-F190 WeakPolarHBondContact O-CA 3.47Å; H186-F190 WeakPolarHBondContact O-CB 3.33Å; H186-F190 PolarHBondContact O-N 3.2Å; H186-G191 PolarHBondContact O-N 3.28Å
187D92.9Very high93.8Very high83 Ų8369.8 Ų69.844%0.44436%0.359SS..Hα-helixtrans-69.5-38.6-174.2-71.2-9.8000111.1R67 R72 D185 R189 G191R67-D187 IonicContact NH2-OD1 2.94Å; R67-D187 IonicContact NH2-OD2 2.77Å; R72-D187 IonicContact CZ-OD1 2.71Å; R72-D187 IonicContact NH1-OD1 2.7Å; R72-D187 PolarHBondContact NH1-OD1 3.24Å; R72-D187 IonicContact NH1-OD2 2.8Å; R72-D187 IonicContact NH2-OD1 2.69Å; R72-D187 PolarHBondContact NH2-OD1 3.32Å; D185-D187 PolarHBondContact O-N 3.33Å; D187-R189 VanDerWaalsContact C-N 3.31Å; D187-R189 PolarHBondContact O-N 2.9Å; D187-G191 VanDerWaalsContact O-CA 3.31Å; D187-G191 WeakPolarHBondContact O-CA 3.47Å; D187-G191 PolarHBondContact O-N 3.29Å
188D92.8Very high94Very high141 Ų14161.3 Ų61.375%0.75432%0.323SS*.Hα-helixtrans-62.6-35.6175-61.8-33.2000112.9D185D185-D188 PolarHBondContact O-N 3.21Å
189R93.8Very high93.8Very high111 Ų11164 Ų6442%0.41935%0.352SS..Hα-helixtrans-93.5-36-174.3-71.4179.561.3-175.20.1114.4E90 D185 H186 D187E90-R189 IonicContact OE1-NH2 3.8Å; D185-R189 PolarHBondContact O-N 3.41Å; D185-R189 WeakPolarHBondContact OD2-CD 3.11Å; D185-R189 IonicContact OD2-NH1 2.73Å; D185-R189 PolarHBondContact OD2-NH1 3.38Å; H186-R189 PolarHBondContact O-N 3.14Å; D187-R189 VanDerWaalsContact C-N 3.31Å; D187-R189 PolarHBondContact O-N 2.9Å
190F97Very high93.5Very high22 Ų2262 Ų6210%0.09634%0.337CS..Hα-helixtrans-138.55.5-164.8-53.3-63.4000114F74 V75 I76 W91 H186F74-F190 HydrophobicContact CB-CB 4.4Å; F74-F190 HydrophobicContact CD1-CB 4.13Å; F74-F190 HydrophobicContact CD1-CD1 4.15Å; F74-F190 AromaticContact CD1-CD2 3.67Å; F74-F190 HydrophobicContact CD1-CD2 3.67Å; F74-F190 HydrophobicContact CD1-CE1 4.47Å; F74-F190 HydrophobicContact CD1-CE2 4.03Å; F74-F190 AromaticContact CD1-CG 3.74Å; F74-F190 HydrophobicContact CD1-CG 3.74Å; F74-F190 HydrophobicContact CD1-CZ 4.41Å; F74-F190 AromaticContact CE1-CD2 3.97Å; F74-F190 HydrophobicContact CE1-CD2 3.97Å; F74-F190 HydrophobicContact CE1-CE2 4.15Å; F74-F190 HydrophobicContact CE1-CG 4.48Å; V75-F190 PolarHBondContact N-O 2.79Å; V75-F190 WeakPolarHBondContact O-CA 3.32Å; I76-F190 HydrophobicContact CG1-CD1 4.16Å; I76-F190 HydrophobicContact CG1-CE1 4.41Å; W91-F190 HydrophobicContact CZ2-CE1 4.18Å; W91-F190 AromaticContact CZ2-CZ 3.95Å; W91-F190 HydrophobicContact CZ2-CZ 3.95Å; H186-F190 WeakPolarHBondContact O-CA 3.47Å; H186-F190 WeakPolarHBondContact O-CB 3.33Å; H186-F190 PolarHBondContact O-N 3.2Å
191G96.5Very high93.1Very high13 Ų1367.2 Ų67.213%0.13436%0.364CS..SBendtrans-61.1158173.700000112.7H186 D187H186-G191 PolarHBondContact O-N 3.28Å; D187-G191 VanDerWaalsContact O-CA 3.31Å; D187-G191 WeakPolarHBondContact O-CA 3.47Å; D187-G191 PolarHBondContact O-N 3.29Å
192V97Very high92.9Very high34 Ų3466.4 Ų66.421%0.20636%0.358CS..PPolyproline II helixtrans-69.8123.3172.5-1730000107.9L56 L59 E60 L73 V75L56-V192 HydrophobicContact CB-CG1 4.33Å; L56-V192 HydrophobicContact CD2-CG1 3.91Å; L59-V192 HydrophobicContact CB-CG1 3.89Å; L59-V192 HydrophobicContact CB-CG2 3.9Å; E60-V192 HydrophobicContact CG-CB 4.26Å; E60-V192 HydrophobicContact CG-CG1 4.12Å; E60-V192 HydrophobicContact CG-CG2 4.43Å; L73-V192 HydrophobicContact CD2-CG2 4.28Å; V75-V192 HydrophobicContact CG2-CB 4.48Å; V75-V192 HydrophobicContact CG2-CG2 3.93Å
193P94.8Very high92.8Very high1 Ų170.8 Ų70.81%0.00638%0.376CS..PPolyproline II helixtrans-70150.7179.528.8-34.3000111I37 L56 E197 L198I37-P193 HydrophobicContact CD1-CG 4.06Å; L56-P193 WeakPolarHBondContact CD1-O 3.32Å; L56-P193 HydrophobicContact CD2-CG 3.96Å; L56-P193 WeakPolarHBondContact CD2-O 3.31Å; P193-E197 WeakPolarHBondContact CA-OE2 3.38Å; P193-E197 HydrophobicContact CB-CB 4.06Å; P193-E197 VanDerWaalsContact CB-OE2 3.3Å; P193-E197 WeakPolarHBondContact CB-OE2 3.38Å; P193-L198 HydrophobicContact CB-CD2 4.24Å; P193-L198 HydrophobicContact CB-CG 4.38Å; P193-L198 HydrophobicContact CG-CD2 4.08Å; P193-L198 HydrophobicContact CG-CG 4.33Å
194S93.8Very high92.4Very high40 Ų4072 Ų7228%0.2840%0.397SS..PPolyproline II helixtrans-74.6172.6169.290.90000112.1E196 E197 L198S194-E196 VanDerWaalsContact C-N 3.32Å; S194-E196 WeakPolarHBondContact CB-OE2 3.33Å; S194-E196 PolarHBondContact OG-N 3.26Å; S194-E196 PolarHBondContact OG-OE2 3.08Å; S194-E197 PolarHBondContact O-N 2.9Å; S194-E197 PolarHBondContact OG-N 3.09Å; S194-E197 VanDerWaalsContact OG-N 3.16Å; S194-L198 PolarHBondContact O-N 3.11Å
195L92.8Very high92.3Very high18 Ų1864.9 Ų64.99%0.09437%0.366CS..THydrogen-bonded Turntrans-65.8-38.1173.3-76.2171.6000111.6I49 W52 R53 L56 L198 G199 F200 T202 L205I49-L195 HydrophobicContact CD1-CD1 4.47Å; I49-L195 HydrophobicContact CG1-CD1 4.32Å; I49-L195 HydrophobicContact CG1-CD2 4.22Å; W52-L195 HydrophobicContact CB-CD2 4.06Å; R53-L195 HydrophobicContact CB-CD1 4.04Å; R53-L195 HydrophobicContact CB-CD2 4.35Å; R53-L195 HydrophobicContact CG-CD1 4.2Å; L56-L195 HydrophobicContact CD1-CD2 3.79Å; L56-L195 HydrophobicContact CD1-CG 4.01Å; L195-L198 CarbonylContact O-C 3.51Å; L195-L198 PolarHBondContact O-N 2.78Å; L195-L198 VanDerWaalsContact O-N 3.15Å; L195-G199 PolarHBondContact O-N 2.59Å; L195-F200 HydrophobicContact CB-CB 4.22Å; L195-F200 HydrophobicContact CD2-CD2 3.89Å; L195-F200 HydrophobicContact CD2-CG 4.43Å; L195-F200 WeakPolarHBondContact O-CB 3.41Å; L195-F200 PolarHBondContact O-N 2.82Å; L195-T202 HydrophobicContact CB-CG2 3.63Å; L195-T202 HydrophobicContact CD1-CG2 3.98Å; L195-T202 HydrophobicContact CG-CG2 4.47Å; L195-L205 HydrophobicContact CD1-CD2 3.93Å
196E92.3Very high92.2Very high106 Ų10666.1 Ų66.150%0.49538%0.379SS..THydrogen-bonded Turntrans-65.6-39.1177.5-55.976.9-170.600111.2S194 L198 G199 T202S194-E196 VanDerWaalsContact C-N 3.32Å; S194-E196 WeakPolarHBondContact CB-OE2 3.33Å; S194-E196 PolarHBondContact OG-N 3.26Å; S194-E196 PolarHBondContact OG-OE2 3.08Å; E196-L198 PolarHBondContact O-N 3.03Å; E196-G199 PolarHBondContact O-N 3.37Å; E196-T202 HydrophobicContact CG-CG2 4.25Å; E196-T202 WeakPolarHBondContact OE1-CB 3.48Å; E196-T202 WeakPolarHBondContact OE1-CG2 3.37Å; E196-T202 PolarHBondContact OE1-OG1 2.68Å
197E90.4Very high92Very high122 Ų12271.3 Ų71.357%0.5742%0.416SS*.THydrogen-bonded Turntrans-62.4-28.4172-77.2-173.2-150.600113.4R77 P193 S194 G199R77-E197 IonicContact NH2-OE2 3.87Å; R77-E197 PolarHBondContact NH2-OE2 3.43Å; P193-E197 WeakPolarHBondContact CA-OE2 3.38Å; P193-E197 HydrophobicContact CB-CB 4.06Å; P193-E197 VanDerWaalsContact CB-OE2 3.3Å; P193-E197 WeakPolarHBondContact CB-OE2 3.38Å; S194-E197 PolarHBondContact O-N 2.9Å; S194-E197 PolarHBondContact OG-N 3.09Å; S194-E197 VanDerWaalsContact OG-N 3.16Å; E197-G199 VanDerWaalsContact C-N 3.28Å
198L88.6Confident92.1Very high19 Ų1968.1 Ų68.110%0.09940%0.401CS..THydrogen-bonded Turntrans-85.51.1173.7-63.2-175.6000113.1I37 A42 W52 L56 P193 S194 L195 E196 F200I37-L198 HydrophobicContact CD1-CD1 4.11Å; I37-L198 HydrophobicContact CD1-CD2 4.08Å; A42-L198 HydrophobicContact CB-CB 4.09Å; A42-L198 HydrophobicContact CB-CD1 4.41Å; A42-L198 HydrophobicContact CB-CD2 4.4Å; W52-L198 HydrophobicContact CD2-CD1 4.43Å; W52-L198 HydrophobicContact CE3-CD1 3.84Å; W52-L198 HydrophobicContact CZ3-CD1 4.17Å; L56-L198 HydrophobicContact CD1-CD1 4.03Å; L56-L198 HydrophobicContact CD2-CD1 4.27Å; P193-L198 HydrophobicContact CB-CD2 4.24Å; P193-L198 HydrophobicContact CB-CG 4.38Å; P193-L198 HydrophobicContact CG-CD2 4.08Å; P193-L198 HydrophobicContact CG-CG 4.33Å; S194-L198 PolarHBondContact O-N 3.11Å; L195-L198 CarbonylContact O-C 3.51Å; L195-L198 PolarHBondContact O-N 2.78Å; L195-L198 VanDerWaalsContact O-N 3.15Å; E196-L198 PolarHBondContact O-N 3.03Å; L198-F200 HydrophobicContact CB-CD2 3.87Å; L198-F200 HydrophobicContact CB-CE2 3.91Å; L198-F200 HydrophobicContact CD1-CE2 4.41Å
199G88.6Confident92.3Very high67 Ų6764.3 Ų64.369%0.69138%0.382SS*.THydrogen-bonded Turntrans83.414.7177.900000115.1L195 E196 E197L195-G199 PolarHBondContact O-N 2.59Å; E196-G199 PolarHBondContact O-N 3.37Å; E197-G199 VanDerWaalsContact C-N 3.28Å
200F88.8Confident92.5Very high40 Ų4059.3 Ų59.318%0.17536%0.364CS..  trans-80.3136.5172.3-67.1-73.8000111.4A42 I49 W52 L195 L198A42-F200 HydrophobicContact CB-CE2 4.21Å; A42-F200 HydrophobicContact CB-CZ 4.43Å; I49-F200 HydrophobicContact CB-CD1 4.19Å; I49-F200 HydrophobicContact CD1-CB 3.94Å; I49-F200 HydrophobicContact CD1-CD1 4.36Å; I49-F200 HydrophobicContact CD1-CG 4.31Å; I49-F200 HydrophobicContact CG1-CB 4.3Å; I49-F200 HydrophobicContact CG1-CD1 4.11Å; I49-F200 HydrophobicContact CG1-CG 4.16Å; W52-F200 HydrophobicContact CB-CE2 3.98Å; W52-F200 HydrophobicContact CB-CZ 4.3Å; W52-F200 AromaticContact CD1-CE2 3.67Å; W52-F200 AromaticContact CD1-CZ 3.22Å; W52-F200 HydrophobicContact CD2-CE2 4.24Å; W52-F200 HydrophobicContact CD2-CZ 4.43Å; W52-F200 AromaticContact CG-CE2 3.69Å; W52-F200 HydrophobicContact CG-CE2 3.69Å; W52-F200 AromaticContact CG-CZ 3.75Å; W52-F200 HydrophobicContact CG-CZ 3.75Å; W52-F200 AromaticContact NE1-CZ 3.62Å; L195-F200 HydrophobicContact CB-CB 4.22Å; L195-F200 HydrophobicContact CD2-CD2 3.89Å; L195-F200 HydrophobicContact CD2-CG 4.43Å; L195-F200 WeakPolarHBondContact O-CB 3.41Å; L195-F200 PolarHBondContact O-N 2.82Å; L198-F200 HydrophobicContact CB-CD2 3.87Å; L198-F200 HydrophobicContact CB-CE2 3.91Å; L198-F200 HydrophobicContact CD1-CE2 4.41Å
201D88.6Confident92.5Very high123 Ų12360.4 Ų60.466%0.65837%0.373SS*.  trans-72.1125.8162.9-173.93.3000109.6I49 E203I49-D201 WeakPolarHBondContact CD1-O 3.19Å; D201-E203 WeakPolarHBondContact OD1-CB 3.49Å; D201-E203 PolarHBondContact OD1-N 3.15Å
202T91.7Very high92.6Very high39 Ų3960.2 Ų60.224%0.23937%0.371CS..  trans-111.42.8178.6590000112.8L195 E196 G204 L205L195-T202 HydrophobicContact CB-CG2 3.63Å; L195-T202 HydrophobicContact CD1-CG2 3.98Å; L195-T202 HydrophobicContact CG-CG2 4.47Å; E196-T202 HydrophobicContact CG-CG2 4.25Å; E196-T202 WeakPolarHBondContact OE1-CB 3.48Å; E196-T202 WeakPolarHBondContact OE1-CG2 3.37Å; E196-T202 PolarHBondContact OE1-OG1 2.68Å; T202-G204 PolarHBondContact O-N 3.28Å; T202-L205 HydrophobicContact CG2-CD2 4.26Å; T202-L205 WeakPolarHBondContact O-CB 3.36Å; T202-L205 PolarHBondContact O-N 3.2Å; T202-L205 VanDerWaalsContact O-N 3.08Å
203E91Very high92.7Very high178 Ų17858.6 Ų58.683%0.83236%0.361SS*.THydrogen-bonded Turntrans-62.2129.8175.5-166.1173.4178.500110.5D201 L205D201-E203 WeakPolarHBondContact OD1-CB 3.49Å; D201-E203 PolarHBondContact OD1-N 3.15Å; E203-L205 PolarHBondContact O-N 3.36Å
204G85.4Confident92.9Very high79 Ų7959.3 Ų59.381%0.81436%0.364SS*.THydrogen-bonded Turntrans72.31.8-175.800000115.8T202 S206T202-G204 PolarHBondContact O-N 3.28Å; G204-S206 PolarHBondContact O-N 3.16Å; G204-S206 VanDerWaalsContact O-N 3.12Å
205L91.1Very high93.1Very high61 Ų6160.6 Ų60.632%0.31937%0.371SS..  trans-69.8108.2178.6-172.565.5000111.2I49 L195 T202 E203I49-L205 HydrophobicContact CD1-CD1 4.38Å; I49-L205 HydrophobicContact CD1-CD2 3.87Å; I49-L205 HydrophobicContact CG1-CD2 4.47Å; L195-L205 HydrophobicContact CD1-CD2 3.93Å; T202-L205 HydrophobicContact CG2-CD2 4.26Å; T202-L205 WeakPolarHBondContact O-CB 3.36Å; T202-L205 PolarHBondContact O-N 3.2Å; T202-L205 VanDerWaalsContact O-N 3.08Å; E203-L205 PolarHBondContact O-N 3.36Å
206S91.3Very high93.4Very high86 Ų8661.7 Ų61.760%0.60138%0.375SS*.PPolyproline II helixtrans-69.6160.4178.465.60000112.7R53 G204R53-S206 PolarHBondContact NH1-O 3.44Å; G204-S206 PolarHBondContact O-N 3.16Å; G204-S206 VanDerWaalsContact O-N 3.12Å
207S93.3Very high93.7Very high114 Ų11456.7 Ų56.780%0.79735%0.352SS*.PPolyproline II helixtrans-52.4142.6176.9-173.20000112.7V209S207-V209 PolarHBondContact O-N 3.25Å
208A94.6Very high94.1Very high16 Ų1653.5 Ų53.513%0.13234%0.338CS..PPolyproline II helixtrans-68.9121-174.800000111.9W210A208-W210 PolarHBondContact O-N 3.27Å
209V96.9Very high94.6Very high61 Ų6154.7 Ų54.737%0.3735%0.347SS..SBendtrans-64-28172.71790000111.7S207 R220 A246 E350S207-V209 PolarHBondContact O-N 3.25Å; V209-R220 PolarHBondContact O-NH2 2.81Å; V209-A246 HydrophobicContact CG1-CB 3.37Å; V209-E350 HydrophobicContact CB-CB 4.48Å; V209-E350 HydrophobicContact CG2-CB 4.49Å; V209-E350 HydrophobicContact CG2-CG 4.06Å
210W97.9Very high95Very high7 Ų752.2 Ų52.23%0.02732%0.316CS..SBendtrans-122.890.8174.4-57.990.9000108.8F54 A208 A246 P253 Y254 E350 W352 L386F54-W210 HydrophobicContact CD2-CB 4.24Å; F54-W210 WeakPolarHBondContact CD2-O 3.4Å; F54-W210 HydrophobicContact CE2-CB 4.26Å; A208-W210 PolarHBondContact O-N 3.27Å; W210-A246 HydrophobicContact CZ2-CB 3.57Å; W210-P253 HydrophobicContact CD2-CG 4.2Å; W210-P253 HydrophobicContact CE3-CG 3.87Å; W210-P253 HydrophobicContact CZ3-CG 4.29Å; W210-Y254 HydrophobicContact CE3-CE2 4.01Å; W210-Y254 HydrophobicContact CZ3-CE2 4.31Å; W210-E350 VanDerWaalsContact CD1-O 3.22Å; W210-W352 AromaticContact CE2-CG 3.98Å; W210-W352 HydrophobicContact CH2-CD2 4.33Å; W210-W352 HydrophobicContact CH2-CG 4.39Å; W210-W352 HydrophobicContact CZ2-CB 3.92Å; W210-W352 AromaticContact CZ2-CD2 3.63Å; W210-W352 HydrophobicContact CZ2-CD2 3.63Å; W210-W352 AromaticContact CZ2-CE3 3.93Å; W210-W352 HydrophobicContact CZ2-CE3 3.93Å; W210-W352 AromaticContact CZ2-CG 3.64Å; W210-W352 HydrophobicContact CZ2-CG 3.64Å; W210-L386 HydrophobicContact CB-CD1 3.65Å; W210-L386 HydrophobicContact CG-CD1 3.82Å
211P98.3Very high95.5Very high45 Ų4550.5 Ų50.529%0.29231%0.309SS..  trans-63.1141.7169.6-18.933000110.4F54 E216 R220 Y254F54-P211 WeakPolarHBondContact CE2-O 3.47Å; P211-E216 HydrophobicContact CB-CG 4.26Å; P211-R220 VanDerWaalsContact CD-NH2 3.34Å; P211-Y254 WeakPolarHBondContact O-CE1 3.08Å; P211-Y254 PolarHBondContact O-OH 2.66Å
212G98.4Very high95.9Very high9 Ų950.8 Ų50.89%0.09331%0.306CS..  trans-70.8173.9171.400000113.5S58S58-G212 WeakPolarHBondContact OG-CA 3.06Å
213G98.6Very high96.1Very high0 Ų054.3 Ų54.30%032%0.315CS..SBendtrans108.6154.9169.800000116.6S58 D61 A217S58-G213 PolarHBondContact OG-N 3.43Å; D61-G213 WeakPolarHBondContact OD2-CA 3.31Å; G213-A217 WeakPolarHBondContact O-CB 3.31Å; G213-A217 PolarHBondContact O-N 3.36Å; G213-A217 VanDerWaalsContact O-N 3.16Å
214E98.8Very high96.2Very high16 Ų1647.3 Ų47.38%0.07528%0.283CS..Hα-helixtrans-66.7-39.9170.8172.4176.4-156.700111.3R14 L15 H16 D61 E216 A217 L218R14-E214 VanDerWaalsContact CA-OE2 3.28Å; R14-E214 WeakPolarHBondContact CA-OE2 3.49Å; R14-E214 HydrophobicContact CB-CB 4.35Å; R14-E214 HydrophobicContact CB-CG 4.14Å; L15-E214 VanDerWaalsContact N-CD 3.29Å; L15-E214 PolarHBondContact N-OE1 3.42Å; L15-E214 VanDerWaalsContact N-OE1 3.14Å; L15-E214 PolarHBondContact N-OE2 2.82Å; H16-E214 IonicContact CE1-OE1 3.18Å; H16-E214 IonicContact CG-OE1 2.7Å; H16-E214 PolarHBondContact N-OE1 3.06Å; H16-E214 IonicContact ND1-OE1 2.8Å; H16-E214 PolarHBondContact ND1-OE1 3.4Å; D61-E214 WeakPolarHBondContact OD2-CA 3.4Å; D61-E214 PolarHBondContact OD2-N 2.81Å; E214-E216 PolarHBondContact O-N 3.41Å; E214-A217 WeakPolarHBondContact O-CB 3.43Å; E214-A217 PolarHBondContact O-N 2.85Å; E214-L218 HydrophobicContact CG-CD1 3.93Å; E214-L218 HydrophobicContact CG-CG 4.34Å; E214-L218 WeakPolarHBondContact O-CG 3.31Å; E214-L218 PolarHBondContact O-N 3.49Å
215T98.7Very high96.6Very high67 Ų6744.8 Ų44.841%0.41125%0.251SS..Hα-helixtrans-60.1-47.2179.5-590000111.5D61 T219D61-T215 VanDerWaalsContact OD1-CB 3.22Å; D61-T215 WeakPolarHBondContact OD1-CB 3.37Å; D61-T215 PolarHBondContact OD1-OG1 2.85Å; D61-T215 PolarHBondContact OD2-N 3.01Å; D61-T215 PolarHBondContact OD2-OG1 2.73Å; T215-T219 WeakPolarHBondContact O-CB 3.43Å; T215-T219 PolarHBondContact O-N 3.17Å; T215-T219 PolarHBondContact O-OG1 2.79Å
216E98.6Very high96.5Very high41 Ų4148.1 Ų48.119%0.19226%0.264CS..Hα-helixtrans-68.3-38174.9177.467.917000111P211 E214 L218 T219 R220 Y254P211-E216 HydrophobicContact CB-CG 4.26Å; E214-E216 PolarHBondContact O-N 3.41Å; E216-L218 PolarHBondContact O-N 3.37Å; E216-T219 PolarHBondContact O-N 2.64Å; E216-R220 HydrophobicContact CG-CG 4.34Å; E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 WeakPolarHBondContact O-CG 3.4Å; E216-R220 PolarHBondContact O-N 2.83Å; E216-R220 IonicContact OE1-CZ 2.7Å; E216-R220 IonicContact OE1-NE 3.18Å; E216-R220 PolarHBondContact OE1-NE 3.45Å; E216-R220 IonicContact OE1-NH2 2.8Å; E216-R220 PolarHBondContact OE1-NH2 3.43Å; E216-Y254 HydrophobicContact CB-CE1 4.19Å; E216-Y254 HydrophobicContact CG-CE1 3.88Å; E216-Y254 WeakPolarHBondContact CG-OH 3.32Å
217A98.6Very high96.3Very high0 Ų050.8 Ų50.80%026%0.261CS..Hα-helixtrans-58-46.6176.900000113.2G213 E214 R220 L221 Y254 C259 L260G213-A217 WeakPolarHBondContact O-CB 3.31Å; G213-A217 PolarHBondContact O-N 3.36Å; G213-A217 VanDerWaalsContact O-N 3.16Å; E214-A217 WeakPolarHBondContact O-CB 3.43Å; E214-A217 PolarHBondContact O-N 2.85Å; A217-R220 PolarHBondContact O-N 3.26Å; A217-L221 WeakPolarHBondContact O-CB 3.5Å; A217-L221 PolarHBondContact O-N 3.44Å; A217-Y254 HydrophobicContact CB-CD1 3.5Å; A217-Y254 VanDerWaalsContact CB-CD1 3.5Å; A217-Y254 HydrophobicContact CB-CE1 4.37Å; A217-Y254 HydrophobicContact CB-CG 3.71Å; A217-C259 HydrophobicContact CB-CB 4.05Å; A217-C259 WeakPolarHBondContact CB-O 3.35Å; A217-L260 HydrophobicContact CB-CB 4.11Å
218L98.6Very high95.8Very high55 Ų5548.6 Ų48.629%0.28824%0.237SC..Hα-helixtrans-68.6-42.1177.2-67.7173.9000111.1E214 E216 R220 L221 E222 L264E214-L218 HydrophobicContact CG-CD1 3.93Å; E214-L218 HydrophobicContact CG-CG 4.34Å; E214-L218 WeakPolarHBondContact O-CG 3.31Å; E214-L218 PolarHBondContact O-N 3.49Å; E216-L218 PolarHBondContact O-N 3.37Å; L218-R220 VanDerWaalsContact C-N 3.32Å; L218-R220 PolarHBondContact O-N 3.02Å; L218-L221 HydrophobicContact CD2-CD2 4.37Å; L218-L221 WeakPolarHBondContact O-CB 3.2Å; L218-L221 PolarHBondContact O-N 2.72Å; L218-L221 VanDerWaalsContact O-N 3.13Å; L218-E222 PolarHBondContact O-N 3.1Å; L218-E222 VanDerWaalsContact O-N 3.07Å; L218-L264 HydrophobicContact CD2-CD2 3.78Å
219T98.4Very high95.2Very high45 Ų4549.1 Ų49.128%0.27624%0.241SC..Hα-helixtrans-57.8-43.1174-57.60000111.9T215 E216 R223T215-T219 WeakPolarHBondContact O-CB 3.43Å; T215-T219 PolarHBondContact O-N 3.17Å; T215-T219 PolarHBondContact O-OG1 2.79Å; E216-T219 PolarHBondContact O-N 2.64Å; T219-R223 WeakPolarHBondContact O-CG 3.42Å; T219-R223 PolarHBondContact O-N 2.83Å
220R98.2Very high94.3Very high14 Ų1452.7 Ų52.75%0.05325%0.248CC..Hα-helixtrans-71.7-32.6176.2-68.6-165.2-176.2-148.60.3112.8V209 P211 E216 A217 L218 H224 S247 P248 G250 L251 Y254V209-R220 PolarHBondContact O-NH2 2.81Å; P211-R220 VanDerWaalsContact CD-NH2 3.34Å; E216-R220 HydrophobicContact CG-CG 4.34Å; E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 WeakPolarHBondContact O-CG 3.4Å; E216-R220 PolarHBondContact O-N 2.83Å; E216-R220 IonicContact OE1-CZ 2.7Å; E216-R220 IonicContact OE1-NE 3.18Å; E216-R220 PolarHBondContact OE1-NE 3.45Å; E216-R220 IonicContact OE1-NH2 2.8Å; E216-R220 PolarHBondContact OE1-NH2 3.43Å; A217-R220 PolarHBondContact O-N 3.26Å; L218-R220 VanDerWaalsContact C-N 3.32Å; L218-R220 PolarHBondContact O-N 3.02Å; R220-H224 VanDerWaalsContact O-CB 3.24Å; R220-H224 WeakPolarHBondContact O-CB 3.24Å; R220-H224 PolarHBondContact O-N 3.44Å; R220-S247 PolarHBondContact NH1-O 3.35Å; R220-P248 WeakPolarHBondContact CG-O 3.38Å; R220-G250 WeakPolarHBondContact CD-O 3.21Å; R220-L251 HydrophobicContact CB-CD2 3.69Å; R220-Y254 VanDerWaalsContact CZ-OH 3.3Å; R220-Y254 PolarHBondContact NE-OH 3.26Å; R220-Y254 VanDerWaalsContact NE-OH 3.12Å
221L98.1Very high93.2Very high5 Ų553.6 Ų53.63%0.02626%0.255CS..Hα-helixtrans-61.2-45.7175.1172.667.9000110.9A217 L218 H224 L225 L251 L260 L264 F265 K268A217-L221 WeakPolarHBondContact O-CB 3.5Å; A217-L221 PolarHBondContact O-N 3.44Å; L218-L221 HydrophobicContact CD2-CD2 4.37Å; L218-L221 WeakPolarHBondContact O-CB 3.2Å; L218-L221 PolarHBondContact O-N 2.72Å; L218-L221 VanDerWaalsContact O-N 3.13Å; L221-H224 WeakPolarHBondContact O-CB 3.38Å; L221-H224 PolarHBondContact O-N 3.07Å; L221-L225 HydrophobicContact CD1-CD1 4.02Å; L221-L225 HydrophobicContact CD1-CG 4.27Å; L221-L225 HydrophobicContact CG-CD1 3.98Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 2.85Å; L221-L251 HydrophobicContact CB-CD2 4.44Å; L221-L251 HydrophobicContact CD1-CD1 4.18Å; L221-L260 HydrophobicContact CD1-CD2 4.47Å; L221-L260 HydrophobicContact CD2-CD1 3.91Å; L221-L264 HydrophobicContact CD2-CD2 4.09Å; L221-L264 HydrophobicContact CD2-CG 4.23Å; L221-F265 HydrophobicContact CD1-CB 4.45Å; L221-F265 HydrophobicContact CD1-CD2 3.48Å; L221-F265 VanDerWaalsContact CD1-CD2 3.48Å; L221-F265 HydrophobicContact CD1-CE2 4.1Å; L221-F265 HydrophobicContact CD1-CG 4.28Å; L221-K268 HydrophobicContact CD2-CG 4.41Å
222E96.8Very high91.9Very high128 Ų12853.7 Ų53.760%0.59826%0.259SS*.Hα-helixtrans-60.5-53.2177.9-68.8-178.4163.300111.1L218 H224 L225 E226L218-E222 PolarHBondContact O-N 3.1Å; L218-E222 VanDerWaalsContact O-N 3.07Å; E222-H224 PolarHBondContact O-N 3.06Å; E222-L225 PolarHBondContact O-N 3.42Å; E222-E226 WeakPolarHBondContact O-CG 3.18Å; E222-E226 PolarHBondContact O-N 2.94Å
223R95.7Very high90.2Very high113 Ų11357.8 Ų57.843%0.42628%0.279SS..Hα-helixtrans-57-34.7175.2-64.5172.5178.5162.62.5113T219 R227 T249T219-R223 WeakPolarHBondContact O-CG 3.42Å; T219-R223 PolarHBondContact O-N 2.83Å; R223-R227 WeakPolarHBondContact O-CB 3.38Å; R223-R227 PolarHBondContact O-N 3.36Å; R223-T249 HydrophobicContact CB-CG2 3.98Å
224H94.3Very high88.2Confident32 Ų3265 Ų6515%0.14831%0.31CS..Hα-helixtrans-66.6-41.8175.2-174.7109000112.3R220 L221 E222 K228 T249 L251 F265R220-H224 VanDerWaalsContact O-CB 3.24Å; R220-H224 WeakPolarHBondContact O-CB 3.24Å; R220-H224 PolarHBondContact O-N 3.44Å; L221-H224 WeakPolarHBondContact O-CB 3.38Å; L221-H224 PolarHBondContact O-N 3.07Å; E222-H224 PolarHBondContact O-N 3.06Å; H224-K228 VanDerWaalsContact NE2-CE 3.25Å; H224-K228 WeakPolarHBondContact NE2-CE 3.22Å; H224-K228 WeakPolarHBondContact O-CB 3.41Å; H224-K228 PolarHBondContact O-N 2.87Å; H224-T249 PolarHBondContact ND1-O 2.69Å; H224-L251 HydrophobicContact CB-CD1 4.03Å; H224-L251 HydrophobicContact CB-CG 4.46Å; H224-F265 AromaticContact CD2-CE2 3.9Å; H224-F265 AromaticContact NE2-CE2 3.9Å; H224-F265 AromaticContact NE2-CZ 3.73Å
225L92.9Very high85.9Confident26 Ų2669.5 Ų69.514%0.13633%0.332CS..Hα-helixtrans-70.2-41.8178.6-65.9164.5000111L221 E222 K228 A229 K268 L269 L272L221-L225 HydrophobicContact CD1-CD1 4.02Å; L221-L225 HydrophobicContact CD1-CG 4.27Å; L221-L225 HydrophobicContact CG-CD1 3.98Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 2.85Å; E222-L225 PolarHBondContact O-N 3.42Å; L225-K228 PolarHBondContact O-N 3.4Å; L225-A229 WeakPolarHBondContact O-CB 3.29Å; L225-A229 PolarHBondContact O-N 2.71Å; L225-K268 HydrophobicContact CD1-CB 3.74Å; L225-K268 HydrophobicContact CD1-CD 4.31Å; L225-K268 HydrophobicContact CD1-CG 4.28Å; L225-K268 HydrophobicContact CD2-CB 4.11Å; L225-L269 HydrophobicContact CD2-CD2 4.14Å; L225-L272 HydrophobicContact CB-CD2 4.25Å; L225-L272 HydrophobicContact CD2-CB 4.42Å; L225-L272 HydrophobicContact CD2-CD2 3.88Å; L225-L272 WeakPolarHBondContact O-CD2 3.42Å
226E90.6Very high83.9Confident131 Ų13175.6 Ų75.661%0.61235%0.347SS*.Hα-helixtrans-56.6-52.3172.3-69.9174.8160.300111.5E222 K228 A229 W230E222-E226 WeakPolarHBondContact O-CG 3.18Å; E222-E226 PolarHBondContact O-N 2.94Å; E226-K228 VanDerWaalsContact C-N 3.33Å; E226-K228 PolarHBondContact O-N 3.11Å; E226-A229 WeakPolarHBondContact O-CB 3.37Å; E226-A229 PolarHBondContact O-N 2.9Å; E226-W230 PolarHBondContact O-N 3.4Å
227R86.4Confident82.1Confident142 Ų14278.6 Ų78.654%0.53637%0.37SS..Hα-helixtrans-58.5-43.2176.1177.4-176.6151.5125.7-0.6111.6R223 W230 V231 T249R223-R227 WeakPolarHBondContact O-CB 3.38Å; R223-R227 PolarHBondContact O-N 3.36Å; R227-W230 PolarHBondContact O-N 3.12Å; R227-V231 WeakPolarHBondContact O-CG2 3.34Å; R227-V231 PolarHBondContact O-N 3.18Å; R227-T249 HydrophobicContact CB-CG2 4.35Å
228K82.8Confident80.4Confident68 Ų6888.8 Ų88.830%0.29641%0.409SS..Hα-helixtrans-66.1-37.9176.8-90-168.5171.6179.10112.5H224 L225 E226 W230 A232 L269 L272H224-K228 VanDerWaalsContact NE2-CE 3.25Å; H224-K228 WeakPolarHBondContact NE2-CE 3.22Å; H224-K228 WeakPolarHBondContact O-CB 3.41Å; H224-K228 PolarHBondContact O-N 2.87Å; L225-K228 PolarHBondContact O-N 3.4Å; E226-K228 VanDerWaalsContact C-N 3.33Å; E226-K228 PolarHBondContact O-N 3.11Å; K228-W230 VanDerWaalsContact C-N 3.35Å; K228-A232 WeakPolarHBondContact O-CB 3.41Å; K228-A232 PolarHBondContact O-N 2.8Å; K228-L269 HydrophobicContact CD-CD2 3.64Å; K228-L269 VanDerWaalsContact NZ-CD2 3.27Å; K228-L272 HydrophobicContact CB-CD2 3.8Å
229A80.7Confident79.1Confident26 Ų2689.1 Ų89.122%0.21541%0.409CS..Hα-helixtrans-62-44.9175.200000110.8L225 E226 N233 L272L225-A229 WeakPolarHBondContact O-CB 3.29Å; L225-A229 PolarHBondContact O-N 2.71Å; E226-A229 WeakPolarHBondContact O-CB 3.37Å; E226-A229 PolarHBondContact O-N 2.9Å; A229-N233 PolarHBondContact O-N 3.48Å; A229-N233 PolarHBondContact O-ND2 3.14Å; A229-N233 VanDerWaalsContact O-ND2 3.15Å; A229-L272 HydrophobicContact CB-CD1 3.7Å; A229-L272 HydrophobicContact CB-CD2 4.5Å
230W78.5Confident77.8Confident136 Ų13690.6 Ų90.652%0.51542%0.416SS..Hα-helixtrans-62-53.5175.9-175.389.6000111.6E226 R227 K228 A232 N233 F234 E235E226-W230 PolarHBondContact O-N 3.4Å; R227-W230 PolarHBondContact O-N 3.12Å; K228-W230 VanDerWaalsContact C-N 3.35Å; W230-A232 VanDerWaalsContact C-N 3.34Å; W230-A232 PolarHBondContact O-N 3.02Å; W230-N233 PolarHBondContact O-N 3.48Å; W230-N233 VanDerWaalsContact O-N 3.13Å; W230-F234 AromaticContact CD1-CD2 3.55Å; W230-F234 HydrophobicContact CD2-CB 4.38Å; W230-F234 HydrophobicContact CD2-CD2 4.37Å; W230-F234 AromaticContact CG-CD2 3.97Å; W230-F234 HydrophobicContact CG-CD2 3.97Å; W230-F234 HydrophobicContact CZ2-CB 4.2Å; W230-F234 AromaticContact NE1-CD2 3.7Å; W230-F234 WeakPolarHBondContact O-CB 3.39Å; W230-F234 VanDerWaalsContact O-CD2 3.28Å; W230-F234 WeakPolarHBondContact O-CD2 3.35Å; W230-F234 PolarHBondContact O-N 2.92Å; W230-E235 HydrophobicContact CH2-CB 4.19Å; W230-E235 HydrophobicContact CZ3-CB 3.88Å; W230-E235 WeakPolarHBondContact CZ3-OE2 3.46Å
231V76.3Confident76.7Confident27 Ų2791.2 Ų91.216%0.16442%0.424CS..Hα-helixtrans-56.7-47.6178.4172.30000110.9R227 N233 F234 E235 P237R227-V231 WeakPolarHBondContact O-CG2 3.34Å; R227-V231 PolarHBondContact O-N 3.18Å; V231-N233 PolarHBondContact O-N 2.86Å; V231-F234 PolarHBondContact O-N 3.29Å; V231-E235 WeakPolarHBondContact CG1-O 3.4Å; V231-E235 PolarHBondContact O-N 3.07Å; V231-P237 HydrophobicContact CG1-CB 4.27Å; V231-P237 HydrophobicContact CG1-CG 4.17Å
232A70.7Confident76Confident46 Ų4696.9 Ų96.938%0.3845%0.454SS..Hα-helixtrans-63.4-16.8-176.800000114.9K228 W230 V276K228-A232 WeakPolarHBondContact O-CB 3.41Å; K228-A232 PolarHBondContact O-N 2.8Å; W230-A232 VanDerWaalsContact C-N 3.34Å; W230-A232 PolarHBondContact O-N 3.02Å; A232-V276 HydrophobicContact CB-CG1 3.89Å
233N62.5Low75.5Confident96 Ų9692.4 Ų92.451%0.51344%0.437SS..Hα-helixtrans-102-33.1176-71-28.8000113.5A229 W230 V231A229-N233 PolarHBondContact O-N 3.48Å; A229-N233 PolarHBondContact O-ND2 3.14Å; A229-N233 VanDerWaalsContact O-ND2 3.15Å; W230-N233 PolarHBondContact O-N 3.48Å; W230-N233 VanDerWaalsContact O-N 3.13Å; V231-N233 PolarHBondContact O-N 2.86Å
234F55.2Low75.2Confident150 Ų15087 Ų8766%0.65842%0.416SS*.Hα-helixtrans-124-17.6-164.6-59.8-68.5000116W230 V231W230-F234 AromaticContact CD1-CD2 3.55Å; W230-F234 HydrophobicContact CD2-CB 4.38Å; W230-F234 HydrophobicContact CD2-CD2 4.37Å; W230-F234 AromaticContact CG-CD2 3.97Å; W230-F234 HydrophobicContact CG-CD2 3.97Å; W230-F234 HydrophobicContact CZ2-CB 4.2Å; W230-F234 AromaticContact NE1-CD2 3.7Å; W230-F234 WeakPolarHBondContact O-CB 3.39Å; W230-F234 VanDerWaalsContact O-CD2 3.28Å; W230-F234 WeakPolarHBondContact O-CD2 3.35Å; W230-F234 PolarHBondContact O-N 2.92Å; V231-F234 PolarHBondContact O-N 3.29Å
235E52.4Low75.1Confident111 Ų11187.5 Ų87.552%0.51942%0.42SS..  trans-146151.6-174.2-152.5-175.1-166.500114.1W230 V231W230-E235 HydrophobicContact CH2-CB 4.19Å; W230-E235 HydrophobicContact CZ3-CB 3.88Å; W230-E235 WeakPolarHBondContact CZ3-OE2 3.46Å; V231-E235 WeakPolarHBondContact CG1-O 3.4Å; V231-E235 PolarHBondContact O-N 3.07Å
236R56.5Low75Confident195 Ų19587.4 Ų87.474%0.73642%0.423SS*.  trans-93119.3162.5-69.8-172.4-178.8-167.51.2108.5R238R236-R238 PolarHBondContact O-N 3.09Å
237P59.8Low75.1Confident105 Ų10582.7 Ų82.768%0.68240%0.404SS*.  trans-62.6125.6-17725.6-32.7000110.5V231V231-P237 HydrophobicContact CG1-CB 4.27Å; V231-P237 HydrophobicContact CG1-CG 4.17Å
238R64Low75.2Confident214 Ų21479.7 Ų79.781%0.80840%0.403SS*.  trans-122.3143.6172.2-71.1-178.2173.3-177.9-1.8109.3R236R236-R238 PolarHBondContact O-N 3.09Å
239M69.4Low75.6Confident61 Ų6177.3 Ų77.330%0.339%0.394SS..  trans-68.2141.6173.3-167.8-166.3-172.600110.3L244 L356 T422M239-L244 HydrophobicContact CE-CD2 3.77Å; M239-L356 HydrophobicContact CE-CB 4.16Å; M239-L356 HydrophobicContact CE-CD1 3.77Å; M239-L356 HydrophobicContact SD-CD1 3.45Å; M239-L356 WeakPolarHBondContact SD-CD1 3.46Å; M239-T422 HydrophobicContact CE-CG2 3.51Å; M239-T422 HydrophobicContact SD-CG2 4.04Å
240N72.6Confident76.3Confident77 Ų7776.7 Ų76.741%0.41239%0.391SS..  trans-148.6174.2173.257.423.2000109.9N242 S243N240-N242 VanDerWaalsContact C-N 3.26Å; N240-N242 PolarHBondContact O-N 3.14Å; N240-N242 PolarHBondContact OD1-N 2.79Å; N240-S243 PolarHBondContact N-OG 2.84Å; N240-S243 WeakPolarHBondContact O-CB 3.49Å; N240-S243 PolarHBondContact O-N 2.98Å; N240-S243 PolarHBondContact O-OG 3.12Å; N240-S243 PolarHBondContact OD1-N 3.47Å; N240-S243 VanDerWaalsContact OD1-N 3.14Å; N240-S243 PolarHBondContact OD1-OG 2.7Å
241A74.9Confident77.2Confident26 Ų2670.7 Ų70.722%0.21537%0.369CS..G310 helixtrans-51.4-41.7177.800000113.4S243 L244 T422 D423A241-S243 PolarHBondContact O-N 2.91Å; A241-S243 VanDerWaalsContact O-N 3.1Å; A241-L244 WeakPolarHBondContact O-CB 3.24Å; A241-L244 PolarHBondContact O-N 3.35Å; A241-T422 PolarHBondContact N-O 3.11Å; A241-D423 HydrophobicContact CB-CB 3.73Å
242N82.1Confident78.3Confident125 Ų12571.3 Ų71.367%0.66837%0.374SS*.G310 helixtrans-61.5-20.2177.6-69.3-15.1000113.7N240 L244 L245N240-N242 VanDerWaalsContact C-N 3.26Å; N240-N242 PolarHBondContact O-N 3.14Å; N240-N242 PolarHBondContact OD1-N 2.79Å; N242-L244 VanDerWaalsContact C-N 3.25Å; N242-L244 PolarHBondContact O-N 2.87Å; N242-L245 PolarHBondContact O-N 2.93Å
243S86.1Confident79.6Confident33 Ų3369.1 Ų69.123%0.23136%0.356CS..G310 helixtrans-74.3-14.2176.3-53.20000113.3N240 A241 H354N240-S243 PolarHBondContact N-OG 2.84Å; N240-S243 WeakPolarHBondContact O-CB 3.49Å; N240-S243 PolarHBondContact O-N 2.98Å; N240-S243 PolarHBondContact O-OG 3.12Å; N240-S243 PolarHBondContact OD1-N 3.47Å; N240-S243 VanDerWaalsContact OD1-N 3.14Å; N240-S243 PolarHBondContact OD1-OG 2.7Å; A241-S243 PolarHBondContact O-N 2.91Å; A241-S243 VanDerWaalsContact O-N 3.1Å; S243-H354 PolarHBondContact O-CD2 3.18Å
244L89.9Confident81.3Confident0 Ų064.5 Ų64.50%033%0.332CS..SBendtrans-80.3-25.9175.3-59172.8000112.7M239 A241 N242 W339 Q346 H354 T422 Y428M239-L244 HydrophobicContact CE-CD2 3.77Å; A241-L244 WeakPolarHBondContact O-CB 3.24Å; A241-L244 PolarHBondContact O-N 3.35Å; N242-L244 VanDerWaalsContact C-N 3.25Å; N242-L244 PolarHBondContact O-N 2.87Å; L244-W339 HydrophobicContact CD1-CH2 3.59Å; L244-W339 HydrophobicContact CD1-CZ3 3.68Å; L244-W339 HydrophobicContact CD2-CH2 3.89Å; L244-W339 HydrophobicContact CG-CH2 4.4Å; L244-Q346 PolarHBondContact O-NE2 2.98Å; L244-Q346 VanDerWaalsContact O-NE2 3.1Å; L244-Q346 PolarHBondContact O-OE1 3.25Å; L244-H354 HydrophobicContact CD2-CB 4.38Å; L244-T422 HydrophobicContact CD1-CG2 3.86Å; L244-T422 HydrophobicContact CD2-CG2 4.13Å; L244-T422 HydrophobicContact CG-CG2 4.1Å; L244-Y428 HydrophobicContact CB-CD2 3.73Å; L244-Y428 HydrophobicContact CB-CE2 3.66Å; L244-Y428 HydrophobicContact CD1-CD1 4.24Å; L244-Y428 HydrophobicContact CD1-CD2 3.82Å; L244-Y428 HydrophobicContact CD1-CE2 4.23Å; L244-Y428 HydrophobicContact CD1-CG 3.83Å; L244-Y428 HydrophobicContact CG-CD2 4.45Å
245L93Very high83.4Confident43 Ų4358.2 Ų58.223%0.22531%0.305CS..SBendtrans-77.9152-178.4-55.9-178000111.1N242 S247 Y428 Y432N242-L245 PolarHBondContact O-N 2.93Å; L245-S247 PolarHBondContact O-N 2.84Å; L245-Y428 HydrophobicContact CD2-CD2 4.09Å; L245-Y428 HydrophobicContact CD2-CE2 4.42Å; L245-Y432 HydrophobicContact CD2-CE2 3.9Å
246A91.4Very high85.6Confident24 Ų2454.3 Ų54.320%0.19829%0.285CS..PPolyproline II helixtrans-56.2122173.100000111V209 W210V209-A246 HydrophobicContact CG1-CB 3.37Å; W210-A246 HydrophobicContact CZ2-CB 3.57Å
247S91.1Very high87.6Confident32 Ų3245.9 Ų45.922%0.22425%0.254CS..PPolyproline II helixtrans-90.4136.5-178.3-1760000111.6R220 L245 T249 G250R220-S247 PolarHBondContact NH1-O 3.35Å; L245-S247 PolarHBondContact O-N 2.84Å; S247-T249 PolarHBondContact O-N 3.16Å; S247-T249 PolarHBondContact OG-N 3.17Å; S247-T249 PolarHBondContact OG-OG1 2.89Å; S247-T249 VanDerWaalsContact OG-OG1 3.1Å; S247-G250 PolarHBondContact O-N 2.89Å
248P89.3Confident89.4Confident78 Ų7840.9 Ų40.951%0.50622%0.222SC..THydrogen-bonded Turntrans-66.2-2.5169.830.3-36.6000113.3R220R220-P248 WeakPolarHBondContact CG-O 3.38Å
249T91.5Very high91.1Very high18 Ų1830.7 Ų30.711%0.1118%0.183CC..THydrogen-bonded Turntrans-111.213.8171.775.60000112.9R223 H224 R227 S247R223-T249 HydrophobicContact CB-CG2 3.98Å; H224-T249 PolarHBondContact ND1-O 2.69Å; R227-T249 HydrophobicContact CB-CG2 4.35Å; S247-T249 PolarHBondContact O-N 3.16Å; S247-T249 PolarHBondContact OG-N 3.17Å; S247-T249 PolarHBondContact OG-OG1 2.89Å; S247-T249 VanDerWaalsContact OG-OG1 3.1Å
250G94.9Very high92.5Very high14 Ų1427.9 Ų27.914%0.14417%0.169CC..  trans-77.5138.7177.400000111.7R220 S247R220-G250 WeakPolarHBondContact CD-O 3.21Å; S247-G250 PolarHBondContact O-N 2.89Å
251L98Very high93.7Very high9 Ų924.2 Ų24.25%0.04715%0.15CC..  trans-123.1-7.5-171.2-58.6178.2000114.4R220 L221 H224 Y254 L255 L260 F265R220-L251 HydrophobicContact CB-CD2 3.69Å; L221-L251 HydrophobicContact CB-CD2 4.44Å; L221-L251 HydrophobicContact CD1-CD1 4.18Å; H224-L251 HydrophobicContact CB-CD1 4.03Å; H224-L251 HydrophobicContact CB-CG 4.46Å; L251-Y254 PolarHBondContact O-N 3.08Å; L251-L255 HydrophobicContact CB-CD1 4.29Å; L251-L255 WeakPolarHBondContact O-CG 3.37Å; L251-L255 PolarHBondContact O-N 3.03Å; L251-L260 HydrophobicContact CB-CD2 4.13Å; L251-L260 HydrophobicContact CD1-CD2 4.02Å; L251-L260 HydrophobicContact CD2-CD2 4.11Å; L251-L260 HydrophobicContact CG-CD2 4.31Å; L251-F265 HydrophobicContact CD1-CD1 4.42Å; L251-F265 HydrophobicContact CD1-CD2 4.03Å; L251-F265 HydrophobicContact CD1-CE1 4.04Å; L251-F265 HydrophobicContact CD1-CE2 3.58Å; L251-F265 HydrophobicContact CD1-CG 4.43Å; L251-F265 HydrophobicContact CD1-CZ 3.59Å
252S98Very high94.8Very high40 Ų4023.1 Ų23.128%0.2814%0.14SC..Hα-helixtrans-67.6-38.3-168.750.10000115.3Y254 L255 R256 W352 D387S252-Y254 VanDerWaalsContact C-N 3.32Å; S252-Y254 PolarHBondContact O-N 3.49Å; S252-L255 PolarHBondContact O-N 3.14Å; S252-R256 WeakPolarHBondContact O-CB 3.48Å; S252-R256 PolarHBondContact O-N 2.59Å; S252-W352 PolarHBondContact OG-NE1 3.47Å; S252-D387 WeakPolarHBondContact CB-OD2 3.31Å; S252-D387 PolarHBondContact OG-OD2 3.06Å
253P98.6Very high95.6Very high0 Ų017.6 Ų17.60%011%0.11CC..Hα-helixtrans-60-41.7172-27.338.2000112.6F54 W210 L255 R256 F257 L386F54-P253 HydrophobicContact CD2-CB 4.4Å; F54-P253 HydrophobicContact CE1-CB 4.39Å; F54-P253 HydrophobicContact CE2-CB 3.68Å; F54-P253 HydrophobicContact CZ-CB 3.68Å; W210-P253 HydrophobicContact CD2-CG 4.2Å; W210-P253 HydrophobicContact CE3-CG 3.87Å; W210-P253 HydrophobicContact CZ3-CG 4.29Å; P253-L255 PolarHBondContact O-N 3.01Å; P253-R256 WeakPolarHBondContact O-CB 3.34Å; P253-R256 PolarHBondContact O-N 3.35Å; P253-R256 VanDerWaalsContact O-N 3.14Å; P253-F257 WeakPolarHBondContact O-CD2 3.46Å; P253-F257 PolarHBondContact O-N 3.35Å; P253-L386 HydrophobicContact CB-CB 4Å; P253-L386 HydrophobicContact CG-CB 3.95Å; P253-L386 HydrophobicContact CG-CD1 4.36Å
254Y98.8Very high96.2Very high0 Ų017.4 Ų17.40%011%0.106CC..Hα-helixtrans-69.4-34.9-178.1-48.3-85.3000112.5F54 W210 P211 E216 A217 R220 L251 S252 R256 G258 C259 L260F54-Y254 HydrophobicContact CE2-CD1 4.34Å; F54-Y254 AromaticContact CE2-CE1 3.9Å; F54-Y254 HydrophobicContact CE2-CE1 3.9Å; F54-Y254 AromaticContact CZ-CD1 3.68Å; F54-Y254 HydrophobicContact CZ-CD1 3.68Å; F54-Y254 AromaticContact CZ-CE1 3.69Å; F54-Y254 HydrophobicContact CZ-CE1 3.69Å; F54-Y254 HydrophobicContact CZ-CG 4.27Å; W210-Y254 HydrophobicContact CE3-CE2 4.01Å; W210-Y254 HydrophobicContact CZ3-CE2 4.31Å; P211-Y254 WeakPolarHBondContact O-CE1 3.08Å; P211-Y254 PolarHBondContact O-OH 2.66Å; E216-Y254 HydrophobicContact CB-CE1 4.19Å; E216-Y254 HydrophobicContact CG-CE1 3.88Å; E216-Y254 WeakPolarHBondContact CG-OH 3.32Å; A217-Y254 HydrophobicContact CB-CD1 3.5Å; A217-Y254 VanDerWaalsContact CB-CD1 3.5Å; A217-Y254 HydrophobicContact CB-CE1 4.37Å; A217-Y254 HydrophobicContact CB-CG 3.71Å; R220-Y254 VanDerWaalsContact CZ-OH 3.3Å; R220-Y254 PolarHBondContact NE-OH 3.26Å; R220-Y254 VanDerWaalsContact NE-OH 3.12Å; L251-Y254 PolarHBondContact O-N 3.08Å; S252-Y254 VanDerWaalsContact C-N 3.32Å; S252-Y254 PolarHBondContact O-N 3.49Å; Y254-R256 VanDerWaalsContact C-N 3.32Å; Y254-G258 CarbonylContact O-C 3.58Å; Y254-G258 WeakPolarHBondContact O-CA 3.42Å; Y254-G258 PolarHBondContact O-N 3.28Å; Y254-C259 HydrophobicContact CD1-CB 4.19Å; Y254-C259 PolarHBondContact O-N 3.39Å; Y254-L260 PolarHBondContact O-N 3.26Å
255L98.6Very high96.6Very high18 Ų1818 Ų189%0.09411%0.109CC..Hα-helixtrans-70.5-26.5171.7-70.2167.8000113L251 S252 P253 L260 C262 F265 L290 R293L251-L255 HydrophobicContact CB-CD1 4.29Å; L251-L255 WeakPolarHBondContact O-CG 3.37Å; L251-L255 PolarHBondContact O-N 3.03Å; S252-L255 PolarHBondContact O-N 3.14Å; P253-L255 PolarHBondContact O-N 3.01Å; L255-L260 HydrophobicContact CD2-CB 4.21Å; L255-L260 HydrophobicContact CD2-CD2 3.97Å; L255-L260 HydrophobicContact CD2-CG 3.91Å; L255-L260 HydrophobicContact CG-CD2 4.18Å; L255-L260 HydrophobicContact CG-CG 4.48Å; L255-C262 HydrophobicContact CD2-CB 4.25Å; L255-F265 HydrophobicContact CD1-CD1 4.04Å; L255-F265 HydrophobicContact CD1-CE1 4.23Å; L255-F265 HydrophobicContact CD2-CD1 4.35Å; L255-L290 HydrophobicContact CD1-CD2 4.21Å; L255-L290 HydrophobicContact CD2-CD2 4.32Å; L255-R293 PolarHBondContact O-NH2 3.15Å
256R98.3Very high96.8Very high28 Ų2817.8 Ų17.811%0.10611%0.106CC..Hα-helixtrans-73.5-54.9175.3-179.8-81.6170.1109.33.7111.1R51 H130 S252 P253 Y254 G258 L386 D387 A388 D389R51-R256 VanDerWaalsContact NH2-NH2 3.2Å; H130-R256 PolarHBondContact CE1-O 2.85Å; H130-R256 VanDerWaalsContact CE1-O 3.26Å; S252-R256 WeakPolarHBondContact O-CB 3.48Å; S252-R256 PolarHBondContact O-N 2.59Å; P253-R256 WeakPolarHBondContact O-CB 3.34Å; P253-R256 PolarHBondContact O-N 3.35Å; P253-R256 VanDerWaalsContact O-N 3.14Å; Y254-R256 VanDerWaalsContact C-N 3.32Å; R256-G258 PolarHBondContact O-N 3.14Å; R256-L386 WeakPolarHBondContact CD-O 3.34Å; R256-L386 PolarHBondContact NH1-O 3.27Å; R256-L386 VanDerWaalsContact NH1-O 3.1Å; R256-D387 HydrophobicContact CB-CB 4.37Å; R256-A388 PolarHBondContact NH2-O 2.85Å; R256-D389 WeakPolarHBondContact CG-OD1 3.21Å; R256-D389 WeakPolarHBondContact CG-OD2 3.33Å; R256-D389 IonicContact NE-OD1 3.6Å; R256-D389 PolarHBondContact NE-OD1 2.98Å
257F98.5Very high97.1Very high18 Ų1818.2 Ų18.28%0.07910%0.103CC..Hα-helixtrans-75.5-10.6-179.5-77.5-89.2000112.7K11 G12 L13 F54 L55 P253 C259 L386K11-F257 CarbonylContact C-O 3.55Å; G12-F257 PolarHBondContact N-O 3.36Å; L13-F257 HydrophobicContact CD1-CB 4.44Å; L13-F257 HydrophobicContact CD1-CD1 4.29Å; L13-F257 PolarHBondContact N-O 3.41Å; F54-F257 HydrophobicContact CB-CE2 4.43Å; F54-F257 HydrophobicContact CD1-CD1 4.3Å; F54-F257 AromaticContact CD1-CD2 3.3Å; F54-F257 HydrophobicContact CD1-CD2 3.3Å; F54-F257 HydrophobicContact CD1-CE1 4.35Å; F54-F257 AromaticContact CD1-CE2 3.36Å; F54-F257 HydrophobicContact CD1-CE2 3.36Å; F54-F257 AromaticContact CD1-CG 3.8Å; F54-F257 HydrophobicContact CD1-CG 3.8Å; F54-F257 AromaticContact CD1-CZ 3.9Å; F54-F257 HydrophobicContact CD1-CZ 3.9Å; F54-F257 HydrophobicContact CE1-CB 3.99Å; F54-F257 AromaticContact CE1-CD2 3.32Å; F54-F257 HydrophobicContact CE1-CD2 3.32Å; F54-F257 AromaticContact CE1-CE2 3.88Å; F54-F257 HydrophobicContact CE1-CE2 3.88Å; F54-F257 AromaticContact CE1-CG 3.74Å; F54-F257 HydrophobicContact CE1-CG 3.74Å; F54-F257 HydrophobicContact CG-CD2 4.35Å; F54-F257 HydrophobicContact CG-CE2 4.06Å; F54-F257 HydrophobicContact CZ-CD2 4.36Å; L55-F257 HydrophobicContact CB-CE1 3.99Å; L55-F257 HydrophobicContact CD1-CD1 4.36Å; L55-F257 HydrophobicContact CD1-CE1 4.25Å; P253-F257 WeakPolarHBondContact O-CD2 3.46Å; P253-F257 PolarHBondContact O-N 3.35Å; F257-C259 VanDerWaalsContact C-N 3.29Å; F257-L386 WeakPolarHBondContact CE2-O 3.39Å
258G98.5Very high97.4Very high1 Ų121.4 Ų21.41%0.0111%0.113CC..THydrogen-bonded Turntrans77.513.1-177.600000113.7R14 Y254 R256 L260R14-G258 WeakPolarHBondContact CD-O 3.47Å; R14-G258 WeakPolarHBondContact CG-O 3.35Å; R14-G258 PolarHBondContact NH1-O 3.48Å; Y254-G258 CarbonylContact O-C 3.58Å; Y254-G258 WeakPolarHBondContact O-CA 3.42Å; Y254-G258 PolarHBondContact O-N 3.28Å; R256-G258 PolarHBondContact O-N 3.14Å; G258-L260 PolarHBondContact O-N 3.07Å
259C98.8Very high97.6Very high0 Ų018 Ų180%09%0.09CC..SBendtrans-62.4-24.5168.2-53.30000112.4L13 H16 A217 Y254 F257L13-C259 WeakPolarHBondContact O-CA 3.46Å; H16-C259 PolarHBondContact CE1-O 3.06Å; H16-C259 VanDerWaalsContact CE1-O 3.3Å; A217-C259 HydrophobicContact CB-CB 4.05Å; A217-C259 WeakPolarHBondContact CB-O 3.35Å; Y254-C259 HydrophobicContact CD1-CB 4.19Å; Y254-C259 PolarHBondContact O-N 3.39Å; F257-C259 VanDerWaalsContact C-N 3.29Å
260L98.8Very high97.7Very high1 Ų117.3 Ų17.31%0.0059%0.086CC..SBendtrans-117.1128167178.556.8000109.9A217 L221 L251 Y254 L255 G258 C262 L264 F265A217-L260 HydrophobicContact CB-CB 4.11Å; L221-L260 HydrophobicContact CD1-CD2 4.47Å; L221-L260 HydrophobicContact CD2-CD1 3.91Å; L251-L260 HydrophobicContact CB-CD2 4.13Å; L251-L260 HydrophobicContact CD1-CD2 4.02Å; L251-L260 HydrophobicContact CD2-CD2 4.11Å; L251-L260 HydrophobicContact CG-CD2 4.31Å; Y254-L260 PolarHBondContact O-N 3.26Å; L255-L260 HydrophobicContact CD2-CB 4.21Å; L255-L260 HydrophobicContact CD2-CD2 3.97Å; L255-L260 HydrophobicContact CD2-CG 3.91Å; L255-L260 HydrophobicContact CG-CD2 4.18Å; L255-L260 HydrophobicContact CG-CG 4.48Å; G258-L260 PolarHBondContact O-N 3.07Å; L260-C262 PolarHBondContact O-N 3.35Å; L260-L264 HydrophobicContact CD1-CD2 4.34Å; L260-F265 HydrophobicContact CD2-CB 4.28Å; L260-F265 HydrophobicContact CD2-CG 4.48Å
261S98.8Very high97.7Very high0 Ų019.7 Ų19.70%010%0.096CC..  trans-65130.5167.4160.70000111.8H16 D17 R263 L264 F265H16-S261 WeakPolarHBondContact NE2-CB 3.07Å; H16-S261 PolarHBondContact NE2-N 2.84Å; D17-S261 VanDerWaalsContact OD2-CB 3.27Å; D17-S261 WeakPolarHBondContact OD2-CB 3.33Å; D17-S261 PolarHBondContact OD2-OG 3.3Å; S261-R263 VanDerWaalsContact C-N 3.3Å; S261-R263 PolarHBondContact O-N 3Å; S261-R263 PolarHBondContact OG-N 3Å; S261-L264 PolarHBondContact OG-N 3.04Å; S261-F265 PolarHBondContact O-N 3.47Å; S261-F265 VanDerWaalsContact O-N 3.1Å
262C98.4Very high97.4Very high3 Ų320.9 Ų20.92%0.0210%0.102CC..Hα-helixtrans-63.2-36.3170.664.60000112H130 L132 L255 L260 F265 Y266 L290H130-C262 PolarHBondContact O-SG 2.99Å; L132-C262 HydrophobicContact CD2-CB 4.08Å; L132-C262 WeakPolarHBondContact CD2-O 2.98Å; L255-C262 HydrophobicContact CD2-CB 4.25Å; L260-C262 PolarHBondContact O-N 3.35Å; C262-F265 PolarHBondContact O-N 3.03Å; C262-Y266 WeakPolarHBondContact O-CB 3.48Å; C262-Y266 PolarHBondContact O-N 2.94Å; C262-L290 HydrophobicContact CB-CD2 4.03Å
263R98.6Very high97Very high9 Ų921.7 Ų21.73%0.03410%0.099CC..Hα-helixtrans-68.1-47.1178.1-58.9170.4172.9-153.4-14.2110.5I128 T131 L132 V163 E164 P166 S261 F265 Y266 F267I128-R263 VanDerWaalsContact O-CZ 3.22Å; I128-R263 PolarHBondContact O-NH1 3.26Å; I128-R263 PolarHBondContact O-NH2 3.39Å; I128-R263 VanDerWaalsContact O-NH2 3.1Å; T131-R263 PolarHBondContact O-NE 3.3Å; L132-R263 HydrophobicContact CD2-CG 4.2Å; V163-R263 HydrophobicContact CG1-CG 4.19Å; E164-R263 IonicContact OE2-CZ 3.47Å; E164-R263 IonicContact OE2-NH1 3.41Å; E164-R263 PolarHBondContact OE2-NH1 2.89Å; E164-R263 IonicContact OE2-NH2 2.71Å; E164-R263 PolarHBondContact OE2-NH2 3.48Å; P166-R263 HydrophobicContact CB-CB 4.47Å; P166-R263 HydrophobicContact CG-CB 4.15Å; S261-R263 VanDerWaalsContact C-N 3.3Å; S261-R263 PolarHBondContact O-N 3Å; S261-R263 PolarHBondContact OG-N 3Å; R263-F265 VanDerWaalsContact C-N 3.31Å; R263-F265 PolarHBondContact O-N 2.93Å; R263-Y266 WeakPolarHBondContact O-CB 3.42Å; R263-Y266 PolarHBondContact O-N 3.2Å; R263-F267 WeakPolarHBondContact O-CD2 3.41Å; R263-F267 PolarHBondContact O-N 2.84Å
264L98.6Very high96.6Very high29 Ų2926.4 Ų26.415%0.15212%0.117CC..Hα-helixtrans-56.8-46.2175179.762.4000110.9H16 P166 L218 L221 L260 S261 F267 K268H16-L264 VanDerWaalsContact CD2-CD2 3.42Å; H16-L264 WeakPolarHBondContact CD2-CD2 2.94Å; P166-L264 HydrophobicContact CB-CB 4.5Å; P166-L264 HydrophobicContact CG-CB 4.38Å; L218-L264 HydrophobicContact CD2-CD2 3.78Å; L221-L264 HydrophobicContact CD2-CD2 4.09Å; L221-L264 HydrophobicContact CD2-CG 4.23Å; L260-L264 HydrophobicContact CD1-CD2 4.34Å; S261-L264 PolarHBondContact OG-N 3.04Å; L264-F267 PolarHBondContact O-N 2.92Å; L264-K268 HydrophobicContact CD1-CG 3.98Å; L264-K268 HydrophobicContact CG-CG 4.32Å; L264-K268 WeakPolarHBondContact O-CB 3.44Å; L264-K268 WeakPolarHBondContact O-CG 3.35Å; L264-K268 PolarHBondContact O-N 3.03Å
265F98.5Very high96.1Very high14 Ų1434.6 Ų34.66%0.06115%0.153CC..Hα-helixtrans-63.4-43.7177.5-176.8-147.6000112.2L221 H224 L251 L255 L260 S261 C262 R263 F267 K268 L269 L290L221-F265 HydrophobicContact CD1-CB 4.45Å; L221-F265 HydrophobicContact CD1-CD2 3.48Å; L221-F265 VanDerWaalsContact CD1-CD2 3.48Å; L221-F265 HydrophobicContact CD1-CE2 4.1Å; L221-F265 HydrophobicContact CD1-CG 4.28Å; H224-F265 AromaticContact CD2-CE2 3.9Å; H224-F265 AromaticContact NE2-CE2 3.9Å; H224-F265 AromaticContact NE2-CZ 3.73Å; L251-F265 HydrophobicContact CD1-CD1 4.42Å; L251-F265 HydrophobicContact CD1-CD2 4.03Å; L251-F265 HydrophobicContact CD1-CE1 4.04Å; L251-F265 HydrophobicContact CD1-CE2 3.58Å; L251-F265 HydrophobicContact CD1-CG 4.43Å; L251-F265 HydrophobicContact CD1-CZ 3.59Å; L255-F265 HydrophobicContact CD1-CD1 4.04Å; L255-F265 HydrophobicContact CD1-CE1 4.23Å; L255-F265 HydrophobicContact CD2-CD1 4.35Å; L260-F265 HydrophobicContact CD2-CB 4.28Å; L260-F265 HydrophobicContact CD2-CG 4.48Å; S261-F265 PolarHBondContact O-N 3.47Å; S261-F265 VanDerWaalsContact O-N 3.1Å; C262-F265 PolarHBondContact O-N 3.03Å; R263-F265 VanDerWaalsContact C-N 3.31Å; R263-F265 PolarHBondContact O-N 2.93Å; F265-F267 PolarHBondContact O-N 2.51Å; F265-K268 PolarHBondContact O-N 2.78Å; F265-L269 HydrophobicContact CD1-CD1 4.45Å; F265-L269 HydrophobicContact CD2-CD1 3.96Å; F265-L269 HydrophobicContact CD2-CD2 4.43Å; F265-L269 HydrophobicContact CD2-CG 3.8Å; F265-L269 HydrophobicContact CE1-CD1 4.12Å; F265-L269 HydrophobicContact CE2-CD1 3.6Å; F265-L269 HydrophobicContact CE2-CD2 3.76Å; F265-L269 HydrophobicContact CE2-CG 3.55Å; F265-L269 HydrophobicContact CG-CD1 4.38Å; F265-L269 HydrophobicContact CZ-CD1 3.68Å; F265-L269 HydrophobicContact CZ-CD2 4.33Å; F265-L269 HydrophobicContact CZ-CG 4.15Å; F265-L269 WeakPolarHBondContact O-CB 3.47Å; F265-L269 VanDerWaalsContact O-CG 3.31Å; F265-L269 WeakPolarHBondContact O-CG 3.27Å; F265-L269 PolarHBondContact O-N 3.42Å; F265-L290 HydrophobicContact CD1-CD1 3.9Å; F265-L290 HydrophobicContact CD1-CD2 4.06Å; F265-L290 HydrophobicContact CD1-CG 4.13Å; F265-L290 HydrophobicContact CE1-CD1 4.45Å; F265-L290 HydrophobicContact CE1-CG 4.43Å
266Y97.6Very high95.6Very high38 Ų3835.4 Ų35.415%0.14916%0.158CC..Hα-helixtrans-56.2-50.5174.8176.6-89.6000111.9L132 V163 C262 R263 L269 T270 Y287L132-Y266 HydrophobicContact CD1-CD2 4.03Å; L132-Y266 HydrophobicContact CD2-CD2 4.45Å; L132-Y266 HydrophobicContact CD2-CG 4.17Å; V163-Y266 HydrophobicContact CB-CD1 4.12Å; V163-Y266 HydrophobicContact CB-CE1 3.93Å; V163-Y266 HydrophobicContact CG1-CD1 4.25Å; V163-Y266 HydrophobicContact CG2-CD1 4.08Å; V163-Y266 HydrophobicContact CG2-CE1 3.72Å; V163-Y266 HydrophobicContact CG2-CE2 4.24Å; V163-Y266 HydrophobicContact CG2-CG 4.5Å; C262-Y266 WeakPolarHBondContact O-CB 3.48Å; C262-Y266 PolarHBondContact O-N 2.94Å; R263-Y266 WeakPolarHBondContact O-CB 3.42Å; R263-Y266 PolarHBondContact O-N 3.2Å; Y266-L269 PolarHBondContact O-N 3.2Å; Y266-T270 WeakPolarHBondContact O-CB 3.31Å; Y266-T270 PolarHBondContact O-N 2.97Å; Y266-T270 PolarHBondContact O-OG1 2.68Å; Y266-Y287 AromaticContact CD2-CD1 3.37Å; Y266-Y287 HydrophobicContact CD2-CD1 3.37Å; Y266-Y287 HydrophobicContact CD2-CD2 4.31Å; Y266-Y287 AromaticContact CD2-CE1 3.53Å; Y266-Y287 HydrophobicContact CD2-CE1 3.53Å; Y266-Y287 HydrophobicContact CD2-CE2 4.47Å; Y266-Y287 AromaticContact CD2-CG 3.78Å; Y266-Y287 HydrophobicContact CD2-CG 3.78Å; Y266-Y287 AromaticContact CE2-CD1 3.59Å; Y266-Y287 HydrophobicContact CE2-CD1 3.59Å; Y266-Y287 AromaticContact CE2-CD2 3.71Å; Y266-Y287 HydrophobicContact CE2-CD2 3.71Å; Y266-Y287 AromaticContact CE2-CE1 3.54Å; Y266-Y287 HydrophobicContact CE2-CE1 3.54Å; Y266-Y287 AromaticContact CE2-CE2 3.69Å; Y266-Y287 HydrophobicContact CE2-CE2 3.69Å; Y266-Y287 AromaticContact CE2-CG 3.66Å; Y266-Y287 HydrophobicContact CE2-CG 3.66Å; Y266-Y287 AromaticContact CE2-CZ 3.58Å; Y266-Y287 HydrophobicContact CG-CD1 4.27Å; Y266-Y287 HydrophobicContact CG-CE1 4.15Å; Y266-Y287 AromaticContact CZ-CZ 3.92Å
267F97.6Very high95Very high32 Ų3238.3 Ų38.314%0.1417%0.171CC..Hα-helixtrans-66.6-43.7180-83.7-77.8000112.7V163 E164 M165 P166 R263 L264 F265 L269 T270 D271V163-F267 HydrophobicContact CB-CE2 4.14Å; V163-F267 HydrophobicContact CB-CZ 4.4Å; V163-F267 HydrophobicContact CG1-CE2 3.97Å; V163-F267 WeakPolarHBondContact O-CZ 3.39Å; E164-F267 WeakPolarHBondContact O-CE2 3.45Å; M165-F267 HydrophobicContact CG-CZ 4.37Å; M165-F267 HydrophobicContact SD-CD1 3.77Å; M165-F267 HydrophobicContact SD-CD2 4.47Å; M165-F267 HydrophobicContact SD-CE1 3.33Å; M165-F267 WeakPolarHBondContact SD-CE1 3.29Å; M165-F267 HydrophobicContact SD-CE2 4.11Å; M165-F267 HydrophobicContact SD-CG 4.32Å; M165-F267 HydrophobicContact SD-CZ 3.52Å; M165-F267 VanDerWaalsContact SD-CZ 3.52Å; P166-F267 HydrophobicContact CG-CD2 3.9Å; P166-F267 HydrophobicContact CG-CG 4.49Å; R263-F267 WeakPolarHBondContact O-CD2 3.41Å; R263-F267 PolarHBondContact O-N 2.84Å; L264-F267 PolarHBondContact O-N 2.92Å; F265-F267 PolarHBondContact O-N 2.51Å; F267-L269 VanDerWaalsContact C-N 3.32Å; F267-L269 PolarHBondContact O-N 3.43Å; F267-T270 WeakPolarHBondContact O-CA 3.27Å; F267-T270 VanDerWaalsContact O-CB 3.3Å; F267-T270 WeakPolarHBondContact O-CB 3.2Å; F267-T270 PolarHBondContact O-N 3.37Å; F267-T270 VanDerWaalsContact O-N 3.07Å; F267-D271 PolarHBondContact O-N 2.92Å
268K96.7Very high94.3Very high100 Ų10046.6 Ų46.644%0.43521%0.207SC..Hα-helixtrans-61.9-37.6176.3-66.7-79.7-173.6172.70112.6L221 L225 L264 F265 L272L221-K268 HydrophobicContact CD2-CG 4.41Å; L225-K268 HydrophobicContact CD1-CB 3.74Å; L225-K268 HydrophobicContact CD1-CD 4.31Å; L225-K268 HydrophobicContact CD1-CG 4.28Å; L225-K268 HydrophobicContact CD2-CB 4.11Å; L264-K268 HydrophobicContact CD1-CG 3.98Å; L264-K268 HydrophobicContact CG-CG 4.32Å; L264-K268 WeakPolarHBondContact O-CB 3.44Å; L264-K268 WeakPolarHBondContact O-CG 3.35Å; L264-K268 PolarHBondContact O-N 3.03Å; F265-K268 PolarHBondContact O-N 2.78Å; K268-L272 WeakPolarHBondContact O-CB 3.46Å; K268-L272 PolarHBondContact O-N 3.3Å
269L94.1Very high93.3Very high5 Ų553 Ų533%0.02624%0.242CC..Hα-helixtrans-64.6-42.9171.3-75.9178.2000112.2L225 K228 F265 Y266 F267 L272 Y273 Y287L225-L269 HydrophobicContact CD2-CD2 4.14Å; K228-L269 HydrophobicContact CD-CD2 3.64Å; K228-L269 VanDerWaalsContact NZ-CD2 3.27Å; F265-L269 HydrophobicContact CD1-CD1 4.45Å; F265-L269 HydrophobicContact CD2-CD1 3.96Å; F265-L269 HydrophobicContact CD2-CD2 4.43Å; F265-L269 HydrophobicContact CD2-CG 3.8Å; F265-L269 HydrophobicContact CE1-CD1 4.12Å; F265-L269 HydrophobicContact CE2-CD1 3.6Å; F265-L269 HydrophobicContact CE2-CD2 3.76Å; F265-L269 HydrophobicContact CE2-CG 3.55Å; F265-L269 HydrophobicContact CG-CD1 4.38Å; F265-L269 HydrophobicContact CZ-CD1 3.68Å; F265-L269 HydrophobicContact CZ-CD2 4.33Å; F265-L269 HydrophobicContact CZ-CG 4.15Å; F265-L269 WeakPolarHBondContact O-CB 3.47Å; F265-L269 VanDerWaalsContact O-CG 3.31Å; F265-L269 WeakPolarHBondContact O-CG 3.27Å; F265-L269 PolarHBondContact O-N 3.42Å; Y266-L269 PolarHBondContact O-N 3.2Å; F267-L269 VanDerWaalsContact C-N 3.32Å; F267-L269 PolarHBondContact O-N 3.43Å; L269-L272 PolarHBondContact O-N 3.47Å; L269-Y273 WeakPolarHBondContact O-CB 3.29Å; L269-Y273 PolarHBondContact O-N 3.46Å; L269-Y287 HydrophobicContact CB-CD1 4.44Å; L269-Y287 HydrophobicContact CB-CE1 4.08Å; L269-Y287 HydrophobicContact CD1-CD1 4.25Å
270T93.5Very high92.6Very high4 Ų456 Ų563%0.02526%0.262CS..Hα-helixtrans-59.3-48.8178.4-55.20000110.8Y266 F267 Y273 R274 P282 Y287Y266-T270 WeakPolarHBondContact O-CB 3.31Å; Y266-T270 PolarHBondContact O-N 2.97Å; Y266-T270 PolarHBondContact O-OG1 2.68Å; F267-T270 WeakPolarHBondContact O-CA 3.27Å; F267-T270 VanDerWaalsContact O-CB 3.3Å; F267-T270 WeakPolarHBondContact O-CB 3.2Å; F267-T270 PolarHBondContact O-N 3.37Å; F267-T270 VanDerWaalsContact O-N 3.07Å; T270-Y273 PolarHBondContact O-N 2.83Å; T270-R274 WeakPolarHBondContact O-CG 3.31Å; T270-R274 PolarHBondContact O-N 2.83Å; T270-P282 HydrophobicContact CG2-CG 4.28Å; T270-Y287 WeakPolarHBondContact CB-OH 3.41Å; T270-Y287 PolarHBondContact OG1-OH 3.09Å
271D93.6Very high91.8Very high64 Ų6461.1 Ų61.134%0.34230%0.298SS..Hα-helixtrans-70.2-38.5-178-68.5-19.8000112.4F267 Y273 R274 K275F267-D271 PolarHBondContact O-N 2.92Å; D271-Y273 VanDerWaalsContact C-N 3.33Å; D271-R274 PolarHBondContact O-N 2.82Å; D271-R274 IonicContact OD1-CZ 2.7Å; D271-R274 IonicContact OD1-NH1 3.37Å; D271-R274 PolarHBondContact OD1-NH1 2.77Å; D271-K275 WeakPolarHBondContact O-CB 3.23Å; D271-K275 VanDerWaalsContact O-CG 3.24Å; D271-K275 WeakPolarHBondContact O-CG 3.4Å; D271-K275 PolarHBondContact O-N 2.77Å
272L92.1Very high91.3Very high35 Ų3562.4 Ų62.418%0.18331%0.307CS..Hα-helixtrans-60.1-44.8171.3175.359.7000111.1L225 K228 A229 K268 L269 K275 V276L225-L272 HydrophobicContact CB-CD2 4.25Å; L225-L272 HydrophobicContact CD2-CB 4.42Å; L225-L272 HydrophobicContact CD2-CD2 3.88Å; L225-L272 WeakPolarHBondContact O-CD2 3.42Å; K228-L272 HydrophobicContact CB-CD2 3.8Å; A229-L272 HydrophobicContact CB-CD1 3.7Å; A229-L272 HydrophobicContact CB-CD2 4.5Å; K268-L272 WeakPolarHBondContact O-CB 3.46Å; K268-L272 PolarHBondContact O-N 3.3Å; L269-L272 PolarHBondContact O-N 3.47Å; L272-K275 PolarHBondContact O-N 3.25Å; L272-V276 HydrophobicContact CD1-CG2 3.91Å; L272-V276 WeakPolarHBondContact O-CG2 3.32Å; L272-V276 PolarHBondContact O-N 2.95Å
273Y89.4Confident90.8Very high57 Ų5765 Ų6522%0.22432%0.323CS..Hα-helixtrans-63.3-46.7178-175.5-85.9000112L269 T270 D271 K275 V276 K277 S281 P282 P283 L286L269-Y273 WeakPolarHBondContact O-CB 3.29Å; L269-Y273 PolarHBondContact O-N 3.46Å; T270-Y273 PolarHBondContact O-N 2.83Å; D271-Y273 VanDerWaalsContact C-N 3.33Å; Y273-K275 VanDerWaalsContact C-N 3.33Å; Y273-K275 PolarHBondContact O-N 2.77Å; Y273-V276 PolarHBondContact O-N 3.46Å; Y273-K277 HydrophobicContact CD1-CB 4.28Å; Y273-K277 HydrophobicContact CD1-CG 4.4Å; Y273-K277 HydrophobicContact CD2-CG 4.14Å; Y273-K277 HydrophobicContact CE1-CB 3.9Å; Y273-K277 HydrophobicContact CE1-CG 4.04Å; Y273-K277 HydrophobicContact CE2-CG 3.77Å; Y273-K277 HydrophobicContact CG-CG 4.45Å; Y273-K277 WeakPolarHBondContact O-CB 3.44Å; Y273-K277 PolarHBondContact O-N 3.09Å; Y273-S281 WeakPolarHBondContact CE1-O 3.27Å; Y273-P282 HydrophobicContact CD1-CB 3.72Å; Y273-P282 VanDerWaalsContact CE1-CA 3.48Å; Y273-P282 HydrophobicContact CE1-CB 4.04Å; Y273-P282 HydrophobicContact CG-CB 4.1Å; Y273-P283 WeakPolarHBondContact OH-CD 3.45Å; Y273-L286 HydrophobicContact CD2-CD1 4.34Å; Y273-L286 HydrophobicContact CD2-CD2 3.88Å; Y273-L286 HydrophobicContact CG-CD2 3.82Å
274R90.4Very high90.3Very high99 Ų9967.4 Ų67.437%0.37434%0.337SS..Hα-helixtrans-56.7-45.9175.5-72.3171.3-177.6145.7-6111.4T270 D271 K278 N279T270-R274 WeakPolarHBondContact O-CG 3.31Å; T270-R274 PolarHBondContact O-N 2.83Å; D271-R274 PolarHBondContact O-N 2.82Å; D271-R274 IonicContact OD1-CZ 2.7Å; D271-R274 IonicContact OD1-NH1 3.37Å; D271-R274 PolarHBondContact OD1-NH1 2.77Å; R274-K278 PolarHBondContact O-N 3.4Å; R274-N279 PolarHBondContact O-N 2.96Å
275K89.4Confident89.6Confident172 Ų17269.7 Ų69.775%0.74836%0.355SS*.Hα-helixtrans-60.3-48.9177.3-73.6171.1-178.4-178.60112.1D271 L272 Y273D271-K275 WeakPolarHBondContact O-CB 3.23Å; D271-K275 VanDerWaalsContact O-CG 3.24Å; D271-K275 WeakPolarHBondContact O-CG 3.4Å; D271-K275 PolarHBondContact O-N 2.77Å; L272-K275 PolarHBondContact O-N 3.25Å; Y273-K275 VanDerWaalsContact C-N 3.33Å; Y273-K275 PolarHBondContact O-N 2.77Å
276V87.8Confident89.1Confident34 Ų3470.9 Ų70.921%0.20636%0.362CS..Hα-helixtrans-74.2-35.4-177.2174.50000112.7A232 L272 Y273A232-V276 HydrophobicContact CB-CG1 3.89Å; L272-V276 HydrophobicContact CD1-CG2 3.91Å; L272-V276 WeakPolarHBondContact O-CG2 3.32Å; L272-V276 PolarHBondContact O-N 2.95Å; Y273-V276 PolarHBondContact O-N 3.46Å
277K84.5Confident88.9Confident89 Ų8969.3 Ų69.339%0.38736%0.356SS..THydrogen-bonded Turntrans-104.828.2-177.1-57.5-56.4-176.2-164.30113.3Y273 N279 S280Y273-K277 HydrophobicContact CD1-CB 4.28Å; Y273-K277 HydrophobicContact CD1-CG 4.4Å; Y273-K277 HydrophobicContact CD2-CG 4.14Å; Y273-K277 HydrophobicContact CE1-CB 3.9Å; Y273-K277 HydrophobicContact CE1-CG 4.04Å; Y273-K277 HydrophobicContact CE2-CG 3.77Å; Y273-K277 HydrophobicContact CG-CG 4.45Å; Y273-K277 WeakPolarHBondContact O-CB 3.44Å; Y273-K277 PolarHBondContact O-N 3.09Å; K277-N279 PolarHBondContact O-N 3.2Å; K277-S280 VanDerWaalsContact O-CB 3.29Å; K277-S280 WeakPolarHBondContact O-CB 3.41Å; K277-S280 PolarHBondContact O-N 3.44Å; K277-S280 PolarHBondContact O-OG 3.3Å
278K84.9Confident88.5Confident192 Ų19268.5 Ų68.584%0.83536%0.356SS*.THydrogen-bonded Turntrans49.154.3170.9-57.1-176.6179.7-176.50113.2R274 S280R274-K278 PolarHBondContact O-N 3.4Å; K278-S280 PolarHBondContact O-N 2.88Å
279N77.4Confident88.2Confident137 Ų13770.6 Ų70.673%0.73337%0.367SS*.THydrogen-bonded Turntrans62.518.4-179.8-59.3-26.1000116.1R274 K277R274-N279 PolarHBondContact O-N 2.96Å; K277-N279 PolarHBondContact O-N 3.2Å
280S82.9Confident88.3Confident62 Ų6270.6 Ų70.643%0.43437%0.367SS..PPolyproline II helixtrans-60.4146.7167.7-58.50000111.7K277 K278K277-S280 VanDerWaalsContact O-CB 3.29Å; K277-S280 WeakPolarHBondContact O-CB 3.41Å; K277-S280 PolarHBondContact O-N 3.44Å; K277-S280 PolarHBondContact O-OG 3.3Å; K278-S280 PolarHBondContact O-N 2.88Å
281S83.8Confident88.5Confident108 Ų10870.4 Ų70.476%0.75537%0.366SS*.PPolyproline II helixtrans-64.8134.6171.8-1670000111Y273Y273-S281 WeakPolarHBondContact CE1-O 3.27Å
282P87.3Confident88.6Confident28 Ų2870.2 Ų70.218%0.18236%0.361CS..PPolyproline II helixtrans-75.7134.818029.2-33.4000112.1T270 Y273 L286 Y287T270-P282 HydrophobicContact CG2-CG 4.28Å; Y273-P282 HydrophobicContact CD1-CB 3.72Å; Y273-P282 VanDerWaalsContact CE1-CA 3.48Å; Y273-P282 HydrophobicContact CE1-CB 4.04Å; Y273-P282 HydrophobicContact CG-CB 4.1Å; P282-L286 HydrophobicContact CB-CD2 3.72Å; P282-Y287 HydrophobicContact CB-CE2 4.1Å; P282-Y287 WeakPolarHBondContact CB-OH 3.47Å; P282-Y287 HydrophobicContact CG-CE2 4.18Å; P282-Y287 WeakPolarHBondContact CG-OH 3.4Å
283P88.8Confident88.8Confident56 Ų5669.6 Ų69.636%0.36436%0.356SS..PPolyproline II helixtrans-73.6149.3172.331.8-35.3000110.8Y273 S285 L286Y273-P283 WeakPolarHBondContact OH-CD 3.45Å; P283-S285 PolarHBondContact O-N 3.05Å; P283-L286 VanDerWaalsContact O-CB 3.26Å; P283-L286 WeakPolarHBondContact O-CB 3.31Å; P283-L286 PolarHBondContact O-N 3.3Å
284L86.8Confident89.3Confident61 Ų6166.9 Ų66.932%0.31935%0.346SS..G310 helixtrans-55.3-25.1177.6-65.9178.8000113.6Q154 I157 L286 Y287 G288 L291Q154-L284 HydrophobicContact CB-CD1 4.08Å; Q154-L284 HydrophobicContact CG-CD1 4.26Å; I157-L284 HydrophobicContact CD1-CD2 4.42Å; L284-L286 PolarHBondContact O-N 3.41Å; L284-Y287 PolarHBondContact O-N 3.16Å; L284-Y287 VanDerWaalsContact O-N 3.11Å; L284-G288 PolarHBondContact O-N 2.91Å; L284-L291 HydrophobicContact CB-CD1 4.02Å; L284-L291 HydrophobicContact CD2-CD1 4.08Å
285S85.1Confident89.6Confident77 Ų7762.2 Ų62.254%0.53833%0.328SS..G310 helixtrans-61.6-25175.254.60000113.8P283 Y287 G288P283-S285 PolarHBondContact O-N 3.05Å; S285-Y287 PolarHBondContact O-N 3.38Å; S285-G288 PolarHBondContact O-N 2.69Å
286L88Confident90Very high39 Ų3954.4 Ų54.420%0.20429%0.294CS..G310 helixtrans-59-35173.3179.162000112.1Y273 P282 P283 L284Y273-L286 HydrophobicContact CD2-CD1 4.34Å; Y273-L286 HydrophobicContact CD2-CD2 3.88Å; Y273-L286 HydrophobicContact CG-CD2 3.82Å; P282-L286 HydrophobicContact CB-CD2 3.72Å; P283-L286 VanDerWaalsContact O-CB 3.26Å; P283-L286 WeakPolarHBondContact O-CB 3.31Å; P283-L286 PolarHBondContact O-N 3.3Å; L284-L286 PolarHBondContact O-N 3.41Å
287Y92.6Very high90.6Very high5 Ų552.8 Ų52.82%0.0228%0.284CS..G310 helixtrans-102.68.8-176.2-45-69.7000112.8Y266 L269 T270 P282 L284 S285 Q289 L290 L291Y266-Y287 AromaticContact CD2-CD1 3.37Å; Y266-Y287 HydrophobicContact CD2-CD1 3.37Å; Y266-Y287 HydrophobicContact CD2-CD2 4.31Å; Y266-Y287 AromaticContact CD2-CE1 3.53Å; Y266-Y287 HydrophobicContact CD2-CE1 3.53Å; Y266-Y287 HydrophobicContact CD2-CE2 4.47Å; Y266-Y287 AromaticContact CD2-CG 3.78Å; Y266-Y287 HydrophobicContact CD2-CG 3.78Å; Y266-Y287 AromaticContact CE2-CD1 3.59Å; Y266-Y287 HydrophobicContact CE2-CD1 3.59Å; Y266-Y287 AromaticContact CE2-CD2 3.71Å; Y266-Y287 HydrophobicContact CE2-CD2 3.71Å; Y266-Y287 AromaticContact CE2-CE1 3.54Å; Y266-Y287 HydrophobicContact CE2-CE1 3.54Å; Y266-Y287 AromaticContact CE2-CE2 3.69Å; Y266-Y287 HydrophobicContact CE2-CE2 3.69Å; Y266-Y287 AromaticContact CE2-CG 3.66Å; Y266-Y287 HydrophobicContact CE2-CG 3.66Å; Y266-Y287 AromaticContact CE2-CZ 3.58Å; Y266-Y287 HydrophobicContact CG-CD1 4.27Å; Y266-Y287 HydrophobicContact CG-CE1 4.15Å; Y266-Y287 AromaticContact CZ-CZ 3.92Å; L269-Y287 HydrophobicContact CB-CD1 4.44Å; L269-Y287 HydrophobicContact CB-CE1 4.08Å; L269-Y287 HydrophobicContact CD1-CD1 4.25Å; T270-Y287 WeakPolarHBondContact CB-OH 3.41Å; T270-Y287 PolarHBondContact OG1-OH 3.09Å; P282-Y287 HydrophobicContact CB-CE2 4.1Å; P282-Y287 WeakPolarHBondContact CB-OH 3.47Å; P282-Y287 HydrophobicContact CG-CE2 4.18Å; P282-Y287 WeakPolarHBondContact CG-OH 3.4Å; L284-Y287 PolarHBondContact O-N 3.16Å; L284-Y287 VanDerWaalsContact O-N 3.11Å; S285-Y287 PolarHBondContact O-N 3.38Å; Y287-Q289 PolarHBondContact O-N 3.24Å; Y287-L290 WeakPolarHBondContact O-CA 3.48Å; Y287-L290 WeakPolarHBondContact O-CB 3.46Å; Y287-L290 PolarHBondContact O-N 3.12Å; Y287-L291 PolarHBondContact O-N 3.45Å
288G88.9Confident91.2Very high14 Ų1448.5 Ų48.514%0.14427%0.266CS..Hα-helixtrans-51.1-37.8-166.400000115L284 S285 L291 W292L284-G288 PolarHBondContact O-N 2.91Å; S285-G288 PolarHBondContact O-N 2.69Å; G288-L291 PolarHBondContact O-N 3.19Å; G288-W292 WeakPolarHBondContact O-CB 3.28Å; G288-W292 PolarHBondContact O-N 3.48Å
289Q91.3Very high91.8Very high144 Ų14439.6 Ų39.667%0.67323%0.228SC*.Hα-helixtrans-68-39176.6-64.5-65-38.200113.1Y287 R293Y287-Q289 PolarHBondContact O-N 3.24Å; Q289-R293 PolarHBondContact O-N 2.81Å
290L96.2Very high92.8Very high5 Ų533.1 Ų33.13%0.02619%0.193CC..Hα-helixtrans-66.4-44.7172.5-71.4172.9000110.5L132 L255 C262 F265 Y287 W292 R293 E294L132-L290 HydrophobicContact CD1-CB 4.1Å; L132-L290 HydrophobicContact CD1-CD1 4.42Å; L255-L290 HydrophobicContact CD1-CD2 4.21Å; L255-L290 HydrophobicContact CD2-CD2 4.32Å; C262-L290 HydrophobicContact CB-CD2 4.03Å; F265-L290 HydrophobicContact CD1-CD1 3.9Å; F265-L290 HydrophobicContact CD1-CD2 4.06Å; F265-L290 HydrophobicContact CD1-CG 4.13Å; F265-L290 HydrophobicContact CE1-CD1 4.45Å; F265-L290 HydrophobicContact CE1-CG 4.43Å; Y287-L290 WeakPolarHBondContact O-CA 3.48Å; Y287-L290 WeakPolarHBondContact O-CB 3.46Å; Y287-L290 PolarHBondContact O-N 3.12Å; L290-W292 PolarHBondContact O-N 2.94Å; L290-R293 WeakPolarHBondContact O-CB 3.43Å; L290-R293 PolarHBondContact O-N 2.68Å; L290-R293 VanDerWaalsContact O-N 3.14Å; L290-E294 WeakPolarHBondContact O-CG 3.33Å; L290-E294 PolarHBondContact O-N 3.37Å
291L96.3Very high93.5Very high1 Ų130.2 Ų30.21%0.00517%0.173CC..Hα-helixtrans-68.3-32.5-177.8-64-178.3000113.2L132 Y150 F153 I157 L284 Y287 G288 F295L132-L291 HydrophobicContact CD1-CD2 4.36Å; Y150-L291 HydrophobicContact CE2-CB 4.13Å; Y150-L291 WeakPolarHBondContact OH-CB 3.38Å; F153-L291 HydrophobicContact CE1-CB 4.25Å; F153-L291 HydrophobicContact CE1-CD2 4.45Å; F153-L291 WeakPolarHBondContact CE1-O 3.4Å; I157-L291 HydrophobicContact CD1-CD1 3.88Å; I157-L291 HydrophobicContact CD1-CD2 3.58Å; I157-L291 HydrophobicContact CD1-CG 4.28Å; L284-L291 HydrophobicContact CB-CD1 4.02Å; L284-L291 HydrophobicContact CD2-CD1 4.08Å; Y287-L291 PolarHBondContact O-N 3.45Å; G288-L291 PolarHBondContact O-N 3.19Å; L291-F295 VanDerWaalsContact O-CB 3.31Å; L291-F295 WeakPolarHBondContact O-CB 3.41Å; L291-F295 PolarHBondContact O-N 2.88Å
292W95.9Very high94.1Very high59 Ų5929.5 Ų29.522%0.22316%0.16CC..Hα-helixtrans-65.7-37.8170-86.5114.2000112.4Y150 G288 L290 F295 F296Y150-W292 AromaticContact CD1-CE2 3.81Å; Y150-W292 HydrophobicContact CD1-CH2 4.16Å; Y150-W292 AromaticContact CD1-CZ2 3.62Å; Y150-W292 HydrophobicContact CD1-CZ2 3.62Å; Y150-W292 AromaticContact CD2-CD2 3.77Å; Y150-W292 HydrophobicContact CD2-CD2 3.77Å; Y150-W292 AromaticContact CD2-CE2 3.92Å; Y150-W292 AromaticContact CD2-CE3 3.8Å; Y150-W292 HydrophobicContact CD2-CE3 3.8Å; Y150-W292 HydrophobicContact CD2-CG 4.4Å; Y150-W292 HydrophobicContact CD2-CH2 4.17Å; Y150-W292 HydrophobicContact CD2-CZ2 4.13Å; Y150-W292 HydrophobicContact CD2-CZ3 4.01Å; Y150-W292 HydrophobicContact CE1-CD2 4.49Å; Y150-W292 AromaticContact CE1-CE2 3.85Å; Y150-W292 HydrophobicContact CE1-CZ2 4.11Å; Y150-W292 AromaticContact CE1-NE1 3.75Å; Y150-W292 AromaticContact CE2-CD2 3.79Å; Y150-W292 HydrophobicContact CE2-CD2 3.79Å; Y150-W292 AromaticContact CE2-CE2 3.99Å; Y150-W292 HydrophobicContact CE2-CE3 4.23Å; Y150-W292 AromaticContact CE2-CG 3.93Å; Y150-W292 HydrophobicContact CE2-CG 3.93Å; Y150-W292 HydrophobicContact CG-CD2 4.16Å; Y150-W292 AromaticContact CG-CE2 3.84Å; Y150-W292 HydrophobicContact CG-CE3 4.21Å; Y150-W292 AromaticContact CG-CH2 3.71Å; Y150-W292 HydrophobicContact CG-CH2 3.71Å; Y150-W292 AromaticContact CG-CZ2 3.62Å; Y150-W292 HydrophobicContact CG-CZ2 3.62Å; Y150-W292 AromaticContact CG-CZ3 4Å; Y150-W292 HydrophobicContact CG-CZ3 4Å; Y150-W292 AromaticContact CZ-CD1 3.91Å; Y150-W292 AromaticContact CZ-CE2 3.94Å; Y150-W292 AromaticContact CZ-NE1 3.75Å; G288-W292 WeakPolarHBondContact O-CB 3.28Å; G288-W292 PolarHBondContact O-N 3.48Å; L290-W292 PolarHBondContact O-N 2.94Å; W292-F295 AromaticContact CE3-CD1 3.76Å; W292-F295 HydrophobicContact CE3-CD1 3.76Å; W292-F295 HydrophobicContact CE3-CE1 4.34Å; W292-F295 HydrophobicContact CE3-CG 4.47Å; W292-F295 AromaticContact CZ3-CD1 3.76Å; W292-F295 HydrophobicContact CZ3-CD1 3.76Å; W292-F295 AromaticContact CZ3-CE1 3.87Å; W292-F295 HydrophobicContact CZ3-CE1 3.87Å; W292-F295 WeakPolarHBondContact O-CB 3.23Å; W292-F295 PolarHBondContact O-N 2.8Å; W292-F296 HydrophobicContact CE3-CE2 4.01Å; W292-F296 HydrophobicContact CE3-CZ 4.02Å; W292-F296 HydrophobicContact CZ3-CZ 4.16Å; W292-F296 WeakPolarHBondContact O-CD2 3.49Å; W292-F296 PolarHBondContact O-N 2.98Å; W292-F296 VanDerWaalsContact O-N 3.16Å
293R97.9Very high94.6Very high23 Ų2328.9 Ų28.99%0.08716%0.156CC..Hα-helixtrans-63.2-50172.6173.8-179.5177-81.513.9111.2H130 L255 Q289 L290 F295 F296 Y297 V392H130-R293 PolarHBondContact CD2-NH2 2.98Å; H130-R293 PolarHBondContact CE1-NH2 2.69Å; H130-R293 PolarHBondContact ND1-NH2 2.87Å; H130-R293 PolarHBondContact NE2-NH2 2.7Å; H130-R293 VanDerWaalsContact O-CZ 3.25Å; H130-R293 PolarHBondContact O-NH1 2.94Å; H130-R293 PolarHBondContact O-NH2 3.28Å; L255-R293 PolarHBondContact O-NH2 3.15Å; Q289-R293 PolarHBondContact O-N 2.81Å; L290-R293 WeakPolarHBondContact O-CB 3.43Å; L290-R293 PolarHBondContact O-N 2.68Å; L290-R293 VanDerWaalsContact O-N 3.14Å; R293-F295 VanDerWaalsContact C-N 3.3Å; R293-F295 PolarHBondContact O-N 3.13Å; R293-F296 PolarHBondContact O-N 3.15Å; R293-Y297 HydrophobicContact CG-CD2 3.77Å; R293-Y297 HydrophobicContact CG-CE2 3.68Å; R293-Y297 VanDerWaalsContact O-CD2 3.31Å; R293-Y297 WeakPolarHBondContact O-CD2 3.34Å; R293-Y297 PolarHBondContact O-N 3.33Å; R293-V392 HydrophobicContact CG-CG2 4.1Å
294E98.1Very high94.9Very high0 Ų030.7 Ų30.70%017%0.167CC..Hα-helixtrans-57.5-41.8175.3-63-68.8120.400112T131 L132 Y133 F153 L290 Y297 T298T131-E294 VanDerWaalsContact CA-OE1 3.23Å; T131-E294 WeakPolarHBondContact CA-OE1 3.29Å; T131-E294 WeakPolarHBondContact CB-OE1 3.36Å; T131-E294 WeakPolarHBondContact CB-OE2 3.45Å; L132-E294 HydrophobicContact CB-CG 4.29Å; L132-E294 HydrophobicContact CD1-CG 4.16Å; L132-E294 HydrophobicContact CG-CG 4.27Å; L132-E294 VanDerWaalsContact N-CD 3.28Å; L132-E294 PolarHBondContact N-OE1 3.14Å; L132-E294 PolarHBondContact N-OE2 2.92Å; L132-E294 VanDerWaalsContact N-OE2 3.12Å; Y133-E294 PolarHBondContact N-OE2 3.35Å; F153-E294 HydrophobicContact CE1-CB 4.33Å; F153-E294 HydrophobicContact CE2-CB 4.31Å; F153-E294 HydrophobicContact CZ-CB 3.55Å; L290-E294 WeakPolarHBondContact O-CG 3.33Å; L290-E294 PolarHBondContact O-N 3.37Å; E294-Y297 PolarHBondContact O-N 2.69Å; E294-T298 WeakPolarHBondContact O-CB 3.34Å; E294-T298 PolarHBondContact O-N 3.46Å; E294-T298 PolarHBondContact O-OG1 3.26Å
295F98.1Very high95.4Very high1 Ų129.5 Ų29.50%0.00416%0.164CC..Hα-helixtrans-57.4-49.8177170.9-105.3000112.1P147 T149 Y150 F153 L291 W292 R293 T298 A299 F405P147-F295 WeakPolarHBondContact O-CE2 3.48Å; T149-F295 VanDerWaalsContact C-CE2 3.5Å; Y150-F295 HydrophobicContact CD2-CB 4.04Å; Y150-F295 HydrophobicContact CD2-CD1 4.5Å; Y150-F295 HydrophobicContact CD2-CD2 4.37Å; Y150-F295 HydrophobicContact CD2-CG 4.05Å; Y150-F295 HydrophobicContact CE2-CB 4.41Å; F153-F295 HydrophobicContact CB-CD2 3.62Å; F153-F295 HydrophobicContact CB-CE2 4.21Å; F153-F295 HydrophobicContact CD1-CB 4.03Å; F153-F295 HydrophobicContact CD1-CD2 4.37Å; F153-F295 HydrophobicContact CD2-CB 4.35Å; F153-F295 HydrophobicContact CD2-CD2 4.17Å; F153-F295 HydrophobicContact CE1-CB 4.2Å; F153-F295 HydrophobicContact CE2-CB 4.49Å; F153-F295 HydrophobicContact CG-CB 4.13Å; F153-F295 AromaticContact CG-CD2 3.8Å; F153-F295 HydrophobicContact CG-CD2 3.8Å; F153-F295 HydrophobicContact CG-CG 4.46Å; F153-F295 HydrophobicContact CZ-CB 4.45Å; L291-F295 VanDerWaalsContact O-CB 3.31Å; L291-F295 WeakPolarHBondContact O-CB 3.41Å; L291-F295 PolarHBondContact O-N 2.88Å; W292-F295 AromaticContact CE3-CD1 3.76Å; W292-F295 HydrophobicContact CE3-CD1 3.76Å; W292-F295 HydrophobicContact CE3-CE1 4.34Å; W292-F295 HydrophobicContact CE3-CG 4.47Å; W292-F295 AromaticContact CZ3-CD1 3.76Å; W292-F295 HydrophobicContact CZ3-CD1 3.76Å; W292-F295 AromaticContact CZ3-CE1 3.87Å; W292-F295 HydrophobicContact CZ3-CE1 3.87Å; W292-F295 WeakPolarHBondContact O-CB 3.23Å; W292-F295 PolarHBondContact O-N 2.8Å; R293-F295 VanDerWaalsContact C-N 3.3Å; R293-F295 PolarHBondContact O-N 3.13Å; F295-T298 PolarHBondContact O-N 2.81Å; F295-A299 WeakPolarHBondContact O-CB 3.38Å; F295-A299 PolarHBondContact O-N 2.8Å; F295-F405 AromaticContact CE1-CD1 3.89Å; F295-F405 HydrophobicContact CE1-CD1 3.89Å; F295-F405 HydrophobicContact CE1-CE1 4.09Å; F295-F405 HydrophobicContact CE1-CG 4.2Å; F295-F405 AromaticContact CZ-CD1 3.57Å; F295-F405 HydrophobicContact CZ-CD1 3.57Å; F295-F405 AromaticContact CZ-CE1 3.83Å; F295-F405 HydrophobicContact CZ-CE1 3.83Å; F295-F405 HydrophobicContact CZ-CG 4.26Å
296F98.4Very high96Very high7 Ų725.8 Ų25.83%0.03114%0.138CC..Hα-helixtrans-68.2-39.7179.5-69.2-51.7000112.7W292 R293 T298 A299 A300 V392 G395 F405W292-F296 HydrophobicContact CE3-CE2 4.01Å; W292-F296 HydrophobicContact CE3-CZ 4.02Å; W292-F296 HydrophobicContact CZ3-CZ 4.16Å; W292-F296 WeakPolarHBondContact O-CD2 3.49Å; W292-F296 PolarHBondContact O-N 2.98Å; W292-F296 VanDerWaalsContact O-N 3.16Å; R293-F296 PolarHBondContact O-N 3.15Å; F296-T298 VanDerWaalsContact C-N 3.33Å; F296-T298 PolarHBondContact O-N 3.45Å; F296-A299 PolarHBondContact O-N 3.42Å; F296-A300 VanDerWaalsContact O-CB 3.31Å; F296-A300 WeakPolarHBondContact O-CB 3.43Å; F296-A300 PolarHBondContact O-N 3.46Å; F296-V392 HydrophobicContact CB-CG2 4.46Å; F296-V392 HydrophobicContact CD2-CG1 4.34Å; F296-G395 WeakPolarHBondContact CE1-O 3.49Å; F296-F405 HydrophobicContact CD1-CE2 4.32Å; F296-F405 HydrophobicContact CE1-CD2 4.08Å; F296-F405 HydrophobicContact CE1-CE2 4.03Å
297Y98.6Very high96.4Very high0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-58.6-43.5171.2-85.8-64000112.3S102 E103 H130 T131 R293 E294 A299 A300 T301 D389 S391 V392S102-Y297 WeakPolarHBondContact OG-CD1 3.38Å; E103-Y297 HydrophobicContact CG-CD1 4.26Å; E103-Y297 HydrophobicContact CG-CE1 3.77Å; H130-Y297 AromaticContact CD2-CZ 3.82Å; H130-Y297 PolarHBondContact CD2-OH 3.34Å; H130-Y297 AromaticContact NE2-CZ 3.73Å; H130-Y297 PolarHBondContact NE2-OH 3.46Å; T131-Y297 HydrophobicContact CG2-CD2 4.26Å; T131-Y297 HydrophobicContact CG2-CG 4.37Å; R293-Y297 HydrophobicContact CG-CD2 3.77Å; R293-Y297 HydrophobicContact CG-CE2 3.68Å; R293-Y297 VanDerWaalsContact O-CD2 3.31Å; R293-Y297 WeakPolarHBondContact O-CD2 3.34Å; R293-Y297 PolarHBondContact O-N 3.33Å; E294-Y297 PolarHBondContact O-N 2.69Å; Y297-A299 VanDerWaalsContact C-N 3.32Å; Y297-A299 PolarHBondContact O-N 2.97Å; Y297-A300 PolarHBondContact O-N 3.37Å; Y297-T301 VanDerWaalsContact O-CB 3.31Å; Y297-T301 WeakPolarHBondContact O-CB 3.34Å; Y297-T301 PolarHBondContact O-N 2.75Å; Y297-D389 WeakPolarHBondContact OH-CB 3.41Å; Y297-D389 PolarHBondContact OH-OD1 3.13Å; Y297-D389 PolarHBondContact OH-OD2 3.06Å; Y297-S391 WeakPolarHBondContact CD1-OG 3.12Å; Y297-V392 HydrophobicContact CE2-CG2 4.23Å
298T98.5Very high96.6Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-65-35.4176.9-46.60000111.9I138 I139 S146 P147 E294 F295 F296 T301I138-T298 HydrophobicContact CB-CG2 3.97Å; I138-T298 HydrophobicContact CD1-CG2 4.46Å; I138-T298 HydrophobicContact CG2-CG2 3.83Å; I139-T298 HydrophobicContact CD1-CG2 4.33Å; I139-T298 HydrophobicContact CG1-CG2 3.9Å; S146-T298 VanDerWaalsContact CB-O 3.24Å; S146-T298 WeakPolarHBondContact CB-O 3.47Å; S146-T298 PolarHBondContact OG-O 3.28Å; P147-T298 HydrophobicContact CG-CG2 4.28Å; E294-T298 WeakPolarHBondContact O-CB 3.34Å; E294-T298 PolarHBondContact O-N 3.46Å; E294-T298 PolarHBondContact O-OG1 3.26Å; F295-T298 PolarHBondContact O-N 2.81Å; F296-T298 VanDerWaalsContact C-N 3.33Å; F296-T298 PolarHBondContact O-N 3.45Å; T298-T301 WeakPolarHBondContact O-CG2 3.38Å
299A97.6Very high97Very high5 Ų530.4 Ų30.44%0.04115%0.154CC..Hα-helixtrans-73.4-31.1178.200000113.1F295 F296 Y297 F306 F405F295-A299 WeakPolarHBondContact O-CB 3.38Å; F295-A299 PolarHBondContact O-N 2.8Å; F296-A299 PolarHBondContact O-N 3.42Å; Y297-A299 VanDerWaalsContact C-N 3.32Å; Y297-A299 PolarHBondContact O-N 2.97Å; A299-F306 HydrophobicContact CB-CE2 3.66Å; A299-F306 HydrophobicContact CB-CZ 3.84Å; A299-F306 WeakPolarHBondContact O-CE2 3.44Å; A299-F405 HydrophobicContact CB-CE1 4.15Å; A299-F405 HydrophobicContact CB-CZ 3.97Å
300A98Very high97.2Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-92.7-29.8-173.800000114.3P104 F296 Y297 N302 N303 F306 W390P104-A300 WeakPolarHBondContact CG-O 3.32Å; F296-A300 VanDerWaalsContact O-CB 3.31Å; F296-A300 WeakPolarHBondContact O-CB 3.43Å; F296-A300 PolarHBondContact O-N 3.46Å; Y297-A300 PolarHBondContact O-N 3.37Å; A300-N302 PolarHBondContact O-N 3.33Å; A300-N303 PolarHBondContact O-N 2.7Å; A300-F306 HydrophobicContact CB-CB 4.25Å; A300-F306 HydrophobicContact CB-CD1 3.52Å; A300-F306 HydrophobicContact CB-CD2 3.98Å; A300-F306 HydrophobicContact CB-CE1 3.69Å; A300-F306 HydrophobicContact CB-CE2 4.12Å; A300-F306 HydrophobicContact CB-CG 3.68Å; A300-F306 HydrophobicContact CB-CZ 3.99Å; A300-W390 HydrophobicContact CB-CE3 4.39Å; A300-W390 HydrophobicContact CB-CZ3 3.74Å
301T97.9Very high97.1Very high2 Ų233.5 Ų33.51%0.01218%0.184CC..THydrogen-bonded Turntrans-50.8-30.7-171.7-173.50000115.8S102 K107 I139 Y297 T298S102-T301 VanDerWaalsContact O-CA 3.3Å; S102-T301 WeakPolarHBondContact O-CA 3.46Å; S102-T301 WeakPolarHBondContact O-CB 3.28Å; S102-T301 PolarHBondContact O-OG1 3.02Å; K107-T301 WeakPolarHBondContact CE-O 3.49Å; K107-T301 WeakPolarHBondContact CE-OG1 3.31Å; K107-T301 PolarHBondContact NZ-O 3.07Å; K107-T301 PolarHBondContact NZ-OG1 3.35Å; I139-T301 HydrophobicContact CD1-CG2 3.43Å; I139-T301 VanDerWaalsContact CD1-CG2 3.43Å; Y297-T301 VanDerWaalsContact O-CB 3.31Å; Y297-T301 WeakPolarHBondContact O-CB 3.34Å; Y297-T301 PolarHBondContact O-N 2.75Å; T298-T301 WeakPolarHBondContact O-CG2 3.38Å
302N96.6Very high97.1Very high92 Ų9233.6 Ų33.649%0.49219%0.185SC..THydrogen-bonded Turntrans-116.816.9-179.2-68.4-14.3000113.4K107 A300K107-N302 PolarHBondContact NZ-OD1 3.32Å; A300-N302 PolarHBondContact O-N 3.33Å
303N96.8Very high97.1Very high16 Ų1636.1 Ų36.19%0.08621%0.209CC..  trans-126.194.4178.5-179.30000110.8A300 C305 F306 N312A300-N303 PolarHBondContact O-N 2.7Å; N303-C305 PolarHBondContact O-N 2.79Å; N303-C305 VanDerWaalsContact O-N 3.08Å; N303-C305 PolarHBondContact OD1-N 3.47Å; N303-C305 VanDerWaalsContact OD1-N 3.08Å; N303-F306 HydrophobicContact CB-CB 4.14Å; N303-F306 HydrophobicContact CB-CD2 4.25Å; N303-F306 WeakPolarHBondContact O-CB 3.44Å; N303-F306 PolarHBondContact O-N 3.28Å; N303-F306 VanDerWaalsContact O-N 3.14Å; N303-F306 PolarHBondContact OD1-N 2.99Å; N303-N312 PolarHBondContact ND2-OD1 2.89Å
304P95.7Very high96.9Very high93 Ų9336.5 Ų36.560%0.60421%0.212SC*.THydrogen-bonded Turntrans-64.2-9.3178.8-22.834.5000115.6P104P104-P304 HydrophobicContact CB-CB 4.3Å; P104-P304 HydrophobicContact CB-CG 4.37Å
305C96.6Very high96.8Very high36 Ų3637 Ų3724%0.24322%0.216CC..THydrogen-bonded Turntrans-111.817.5177.5-62.10000112.3N303 D307 K308 N312N303-C305 PolarHBondContact O-N 2.79Å; N303-C305 VanDerWaalsContact O-N 3.08Å; N303-C305 PolarHBondContact OD1-N 3.47Å; N303-C305 VanDerWaalsContact OD1-N 3.08Å; C305-D307 PolarHBondContact O-N 3.34Å; C305-D307 VanDerWaalsContact O-N 3.11Å; C305-K308 PolarHBondContact O-N 2.79Å; C305-N312 HydrophobicContact CB-CB 4.39Å; C305-N312 VanDerWaalsContact O-CB 3.31Å; C305-N312 WeakPolarHBondContact O-CB 3.14Å; C305-N312 VanDerWaalsContact O-CG 3.3Å; C305-N312 PolarHBondContact O-ND2 3.27Å
306F97.8Very high96.6Very high0 Ų038.2 Ų38.20%022%0.223CC..THydrogen-bonded Turntrans-59.6-24.3-175.8-168-98.6000113.7A299 A300 N303 N312 I314 W390 S391 A394 M398 F405A299-F306 HydrophobicContact CB-CE2 3.66Å; A299-F306 HydrophobicContact CB-CZ 3.84Å; A299-F306 WeakPolarHBondContact O-CE2 3.44Å; A300-F306 HydrophobicContact CB-CB 4.25Å; A300-F306 HydrophobicContact CB-CD1 3.52Å; A300-F306 HydrophobicContact CB-CD2 3.98Å; A300-F306 HydrophobicContact CB-CE1 3.69Å; A300-F306 HydrophobicContact CB-CE2 4.12Å; A300-F306 HydrophobicContact CB-CG 3.68Å; A300-F306 HydrophobicContact CB-CZ 3.99Å; N303-F306 HydrophobicContact CB-CB 4.14Å; N303-F306 HydrophobicContact CB-CD2 4.25Å; N303-F306 WeakPolarHBondContact O-CB 3.44Å; N303-F306 PolarHBondContact O-N 3.28Å; N303-F306 VanDerWaalsContact O-N 3.14Å; N303-F306 PolarHBondContact OD1-N 2.99Å; F306-N312 PolarHBondContact O-ND2 3.46Å; F306-I314 HydrophobicContact CD2-CD1 3.85Å; F306-I314 HydrophobicContact CE2-CD1 3.45Å; F306-I314 VanDerWaalsContact CE2-CD1 3.45Å; F306-I314 HydrophobicContact CZ-CD1 4.39Å; F306-W390 HydrophobicContact CB-CH2 3.59Å; F306-W390 HydrophobicContact CB-CZ2 4.18Å; F306-W390 HydrophobicContact CB-CZ3 4.16Å; F306-S391 WeakPolarHBondContact CE1-O 3.47Å; F306-A394 HydrophobicContact CD1-CB 3.69Å; F306-A394 HydrophobicContact CE1-CB 4.04Å; F306-M398 HydrophobicContact CD1-CE 3.75Å; F306-M398 HydrophobicContact CD2-CE 3.98Å; F306-M398 HydrophobicContact CE1-CE 3.59Å; F306-M398 HydrophobicContact CE2-CE 3.84Å; F306-M398 HydrophobicContact CG-CE 3.94Å; F306-M398 HydrophobicContact CZ-CE 3.64Å; F306-M398 WeakPolarHBondContact O-CE 3.41Å; F306-F405 AromaticContact CE2-CZ 3.91Å; F306-F405 HydrophobicContact CE2-CZ 3.91Å; F306-F405 HydrophobicContact CZ-CE2 4.13Å; F306-F405 AromaticContact CZ-CZ 3.83Å; F306-F405 HydrophobicContact CZ-CZ 3.83Å
307D97Very high96.5Very high31 Ų3142.4 Ų42.417%0.16624%0.243CC..THydrogen-bonded Turntrans-90.92.6179.465.6-24.1000114.6C305 M378 W390 A394C305-D307 PolarHBondContact O-N 3.34Å; C305-D307 VanDerWaalsContact O-N 3.11Å; D307-M378 HydrophobicContact CB-CE 3.89Å; D307-M378 HydrophobicContact CB-SD 3.86Å; D307-M378 WeakPolarHBondContact O-CE 3.29Å; D307-W390 HydrophobicContact CB-CZ2 3.79Å; D307-W390 VanDerWaalsContact CB-NE1 3.27Å; D307-W390 PolarHBondContact OD2-NE1 3Å; D307-A394 HydrophobicContact CB-CB 4.17Å
308K97Very high96.3Very high100 Ų10042.5 Ų42.544%0.43524%0.243SC..  trans-121158.1-179.7-66.6164.9-167.7169.50110.7C305 N312 W374 E375C305-K308 PolarHBondContact O-N 2.79Å; K308-N312 WeakPolarHBondContact O-CB 3.37Å; K308-N312 PolarHBondContact O-ND2 3.44Å; K308-W374 WeakPolarHBondContact O-CH2 3.34Å; K308-W374 WeakPolarHBondContact O-CZ2 3.32Å; K308-E375 WeakPolarHBondContact CA-OE1 3.46Å
309M97.3Very high96.3Very high23 Ų2347 Ų4711%0.11327%0.272CS..SBendtrans-82.1-52.2167.8-176.2175.270.900110.5N312 Q317 I318 W374 E375M309-N312 PolarHBondContact O-N 3.23Å; M309-Q317 PolarHBondContact O-NE2 3.12Å; M309-Q317 PolarHBondContact O-OE1 3.48Å; M309-I318 WeakPolarHBondContact CE-O 3.3Å; M309-I318 HydrophobicContact SD-CB 4.45Å; M309-I318 PolarHBondContact SD-N 2.89Å; M309-I318 VanDerWaalsContact SD-N 3.36Å; M309-I318 VanDerWaalsContact SD-O 3.33Å; M309-W374 HydrophobicContact CB-CZ2 4.22Å; M309-E375 PolarHBondContact N-OE1 2.56Å
310D95.7Very high96.3Very high107 Ų10748 Ų4857%0.57228%0.275SS*.THydrogen-bonded Turntrans-64.2139.2-179.4-69.9-13.7000111.1N312D310-N312 PolarHBondContact O-N 2.91Å
311S93.9Very high96.3Very high108 Ų10851.4 Ų51.476%0.75529%0.293SS*.THydrogen-bonded Turntrans592.2-177.8-59.80000116.7P313S311-P313 WeakPolarHBondContact O-CD 3.19Å
312N96.6Very high96.3Very high3 Ų363 Ų632%0.01634%0.337CS..  trans-82.3110.2176.2-176.4-8.8000110.8N303 C305 F306 K308 M309 D310 I314 C315 M398N303-N312 PolarHBondContact ND2-OD1 2.89Å; C305-N312 HydrophobicContact CB-CB 4.39Å; C305-N312 VanDerWaalsContact O-CB 3.31Å; C305-N312 WeakPolarHBondContact O-CB 3.14Å; C305-N312 VanDerWaalsContact O-CG 3.3Å; C305-N312 PolarHBondContact O-ND2 3.27Å; F306-N312 PolarHBondContact O-ND2 3.46Å; K308-N312 WeakPolarHBondContact O-CB 3.37Å; K308-N312 PolarHBondContact O-ND2 3.44Å; M309-N312 PolarHBondContact O-N 3.23Å; D310-N312 PolarHBondContact O-N 2.91Å; N312-I314 PolarHBondContact O-N 3.42Å; N312-I314 WeakPolarHBondContact OD1-CG1 3.28Å; N312-I314 PolarHBondContact OD1-N 3.47Å; N312-C315 HydrophobicContact CB-CB 3.8Å; N312-C315 PolarHBondContact O-N 3.28Å; N312-C315 VanDerWaalsContact O-N 3.07Å; N312-M398 PolarHBondContact ND2-SD 3Å
313P94.1Very high96.3Very high112 Ų11262 Ų6273%0.72733%0.331SS*.THydrogen-bonded Turntrans-67.6-14.6-169.427.9-36.7000114.3S311S311-P313 WeakPolarHBondContact O-CD 3.19Å
314I94.8Very high96.4Very high31 Ų3166 Ų6616%0.15936%0.358CS..THydrogen-bonded Turntrans-102.6-5.9178.567.5155.1000113.2L148 F306 N312 M398 S404 F405L148-I314 HydrophobicContact CD1-CG2 3.76Å; L148-I314 HydrophobicContact CD2-CB 4.5Å; L148-I314 HydrophobicContact CD2-CG2 3.73Å; L148-I314 HydrophobicContact CG-CG2 4.42Å; F306-I314 HydrophobicContact CD2-CD1 3.85Å; F306-I314 HydrophobicContact CE2-CD1 3.45Å; F306-I314 VanDerWaalsContact CE2-CD1 3.45Å; F306-I314 HydrophobicContact CZ-CD1 4.39Å; N312-I314 PolarHBondContact O-N 3.42Å; N312-I314 WeakPolarHBondContact OD1-CG1 3.28Å; N312-I314 PolarHBondContact OD1-N 3.47Å; I314-M398 HydrophobicContact CD1-CE 4.22Å; I314-M398 HydrophobicContact CD1-SD 4.38Å; I314-M398 HydrophobicContact CG1-SD 4.5Å; I314-S404 VanDerWaalsContact O-CB 3.27Å; I314-S404 WeakPolarHBondContact O-CB 3.4Å; I314-S404 PolarHBondContact O-OG 2.96Å; I314-F405 HydrophobicContact CD1-CE1 3.99Å; I314-F405 HydrophobicContact CD1-CE2 4.13Å; I314-F405 HydrophobicContact CD1-CZ 3.45Å; I314-F405 VanDerWaalsContact CD1-CZ 3.45Å
315C96.1Very high96.5Very high11 Ų1167.5 Ų67.57%0.07436%0.357CS..SBendtrans-95.3129.7-177.2-169.50000111.3N312 Q317 M398N312-C315 HydrophobicContact CB-CB 3.8Å; N312-C315 PolarHBondContact O-N 3.28Å; N312-C315 VanDerWaalsContact O-N 3.07Å; C315-Q317 PolarHBondContact O-N 3.33Å; C315-Q317 PolarHBondContact O-NE2 3.38Å; C315-M398 HydrophobicContact CB-SD 4.17Å
316V94.4Very high96.5Very high26 Ų2666 Ų6616%0.15835%0.347CS..  trans-66.9130.2167.6179.90000109.1I318 S403 I487 L491V316-I318 HydrophobicContact CB-CG1 4.36Å; V316-I318 HydrophobicContact CG1-CD1 4.38Å; V316-I318 HydrophobicContact CG1-CG1 3.83Å; V316-I318 PolarHBondContact O-N 2.85Å; V316-S403 WeakPolarHBondContact CG2-O 3.26Å; V316-S403 PolarHBondContact N-O 2.88Å; V316-I487 HydrophobicContact CG1-CG2 4.17Å; V316-L491 HydrophobicContact CG1-CD1 3.42Å; V316-L491 VanDerWaalsContact CG1-CD1 3.42Å; V316-L491 HydrophobicContact CG2-CD1 4.29Å
317Q95.5Very high96.6Very high94 Ų9467.5 Ų67.544%0.43936%0.355SS..  trans-8096.2177.6-53.2-56.8-60.600108.7M309 C315M309-Q317 PolarHBondContact O-NE2 3.12Å; M309-Q317 PolarHBondContact O-OE1 3.48Å; C315-Q317 PolarHBondContact O-N 3.33Å; C315-Q317 PolarHBondContact O-NE2 3.38Å
318I95.2Very high96.6Very high2 Ų267.8 Ų67.81%0.0136%0.362CS..  trans-101.8129.2-178.4-65.4172.8000108.3M309 V316 W320 W371 M484 I487M309-I318 WeakPolarHBondContact CE-O 3.3Å; M309-I318 HydrophobicContact SD-CB 4.45Å; M309-I318 PolarHBondContact SD-N 2.89Å; M309-I318 VanDerWaalsContact SD-N 3.36Å; M309-I318 VanDerWaalsContact SD-O 3.33Å; V316-I318 HydrophobicContact CB-CG1 4.36Å; V316-I318 HydrophobicContact CG1-CD1 4.38Å; V316-I318 HydrophobicContact CG1-CG1 3.83Å; V316-I318 PolarHBondContact O-N 2.85Å; I318-W320 HydrophobicContact CB-CD2 4.11Å; I318-W320 HydrophobicContact CB-CG 4.46Å; I318-W320 HydrophobicContact CB-CZ2 3.91Å; I318-W320 HydrophobicContact CD1-CH2 3.93Å; I318-W320 HydrophobicContact CD1-CZ2 3.48Å; I318-W320 VanDerWaalsContact CD1-CZ2 3.48Å; I318-W320 HydrophobicContact CG1-CZ2 4.27Å; I318-W320 HydrophobicContact CG2-CD2 3.48Å; I318-W320 VanDerWaalsContact CG2-CD2 3.48Å; I318-W320 VanDerWaalsContact CG2-CE2 3.45Å; I318-W320 HydrophobicContact CG2-CE3 3.68Å; I318-W320 HydrophobicContact CG2-CG 4.08Å; I318-W320 HydrophobicContact CG2-CH2 3.86Å; I318-W320 HydrophobicContact CG2-CZ2 3.67Å; I318-W320 HydrophobicContact CG2-CZ3 3.86Å; I318-W320 PolarHBondContact O-N 3.3Å; I318-W371 HydrophobicContact CG2-CH2 4.43Å; I318-W371 HydrophobicContact CG2-CZ2 3.8Å; I318-M484 HydrophobicContact CD1-CE 3.84Å; I318-M484 HydrophobicContact CD1-SD 3.92Å; I318-I487 HydrophobicContact CG1-CD1 4.45Å; I318-I487 HydrophobicContact CG1-CG2 4.42Å; I318-I487 HydrophobicContact CG2-CD1 3.9Å
319P96.8Very high96.7Very high94 Ų9466.2 Ų66.261%0.6136%0.355SS*.  trans-73.679.5174.631.2-35.1000110W371 I487P319-W371 PolarHBondContact O-NE1 2.6Å; P319-I487 HydrophobicContact CG-CD1 4.46Å
320W98.3Very high96.8Very high27 Ų2765.1 Ų65.110%0.10235%0.35CS..  trans-71147174.6-60118.8000111.6I318 R367 W371 S373 W374I318-W320 HydrophobicContact CB-CD2 4.11Å; I318-W320 HydrophobicContact CB-CG 4.46Å; I318-W320 HydrophobicContact CB-CZ2 3.91Å; I318-W320 HydrophobicContact CD1-CH2 3.93Å; I318-W320 HydrophobicContact CD1-CZ2 3.48Å; I318-W320 VanDerWaalsContact CD1-CZ2 3.48Å; I318-W320 HydrophobicContact CG1-CZ2 4.27Å; I318-W320 HydrophobicContact CG2-CD2 3.48Å; I318-W320 VanDerWaalsContact CG2-CD2 3.48Å; I318-W320 VanDerWaalsContact CG2-CE2 3.45Å; I318-W320 HydrophobicContact CG2-CE3 3.68Å; I318-W320 HydrophobicContact CG2-CG 4.08Å; I318-W320 HydrophobicContact CG2-CH2 3.86Å; I318-W320 HydrophobicContact CG2-CZ2 3.67Å; I318-W320 HydrophobicContact CG2-CZ3 3.86Å; I318-W320 PolarHBondContact O-N 3.3Å; W320-R367 HydrophobicContact CH2-CB 4.43Å; W320-W371 AromaticContact CE3-CD2 3.86Å; W320-W371 HydrophobicContact CE3-CD2 3.86Å; W320-W371 AromaticContact CE3-CE2 3.85Å; W320-W371 HydrophobicContact CE3-CE3 4.36Å; W320-W371 HydrophobicContact CE3-CG 4.04Å; W320-W371 HydrophobicContact CE3-CZ2 4.37Å; W320-W371 AromaticContact CE3-NE1 3.99Å; W320-W371 AromaticContact CZ3-CD2 3.82Å; W320-W371 HydrophobicContact CZ3-CD2 3.82Å; W320-W371 AromaticContact CZ3-CE2 3.99Å; W320-W371 AromaticContact CZ3-CE3 3.85Å; W320-W371 HydrophobicContact CZ3-CE3 3.85Å; W320-W371 HydrophobicContact CZ3-CG 4.39Å; W320-W371 HydrophobicContact CZ3-CH2 4.27Å; W320-W371 HydrophobicContact CZ3-CZ2 4.22Å; W320-W371 HydrophobicContact CZ3-CZ3 4.08Å; W320-S373 VanDerWaalsContact CG-CA 3.49Å; W320-W374 AromaticContact NE1-CD1 3.63Å
321D97.9Very high96.9Very high71 Ų7160.6 Ų60.638%0.3833%0.327SS..  trans-79.1135.3179.7-73.2-36.9000110.5N323 W371 R483D321-N323 PolarHBondContact O-N 3.13Å; D321-W371 PolarHBondContact N-O 3.28Å; D321-R483 IonicContact OD2-CZ 3.75Å; D321-R483 IonicContact OD2-NH1 3.76Å; D321-R483 PolarHBondContact OD2-NH1 3.07Å; D321-R483 IonicContact OD2-NH2 2.86Å
322R97.6Very high97.1Very high247 Ų24760.6 Ų60.693%0.93232%0.315SS*.  trans-86.391.3172.6-70.9-174.6177.9-177.5-0.2109.7
323N97.6Very high97.2Very high70 Ų7060.8 Ų60.837%0.37432%0.318SS..  trans-12585.9-179.1-168.1-21.6000112.1D321 E325 A326 L327 V372D321-N323 PolarHBondContact O-N 3.13Å; N323-E325 VanDerWaalsContact C-N 3.31Å; N323-E325 PolarHBondContact O-N 3.31Å; N323-E325 PolarHBondContact OD1-N 2.57Å; N323-A326 HydrophobicContact CB-CB 4.01Å; N323-A326 PolarHBondContact O-N 3.31Å; N323-A326 WeakPolarHBondContact OD1-CB 3.47Å; N323-A326 PolarHBondContact OD1-N 3.15Å; N323-L327 PolarHBondContact O-N 3.44Å; N323-V372 HydrophobicContact CB-CG2 4.37Å
324P97.7Very high97.4Very high99 Ų9959.9 Ų59.964%0.64330%0.304SS*.Hα-helixtrans-61.8-34.2-178.9-23.834.6000113.9L327 A328P324-L327 PolarHBondContact O-N 2.95Å; P324-A328 WeakPolarHBondContact O-CB 3.49Å; P324-A328 PolarHBondContact O-N 2.83Å
325E98.1Very high97.6Very high125 Ų12558.4 Ų58.458%0.58430%0.296SS*.Hα-helixtrans-68.3-42.4179.3-169.6-168.5156.900111.3N323 A328 K329N323-E325 VanDerWaalsContact C-N 3.31Å; N323-E325 PolarHBondContact O-N 3.31Å; N323-E325 PolarHBondContact OD1-N 2.57Å; E325-A328 PolarHBondContact O-N 2.86Å; E325-K329 WeakPolarHBondContact O-CG 3.36Å; E325-K329 PolarHBondContact O-N 2.7Å; E325-K329 VanDerWaalsContact O-N 3.08Å; E325-K329 WeakPolarHBondContact OE1-CE 3.37Å; E325-K329 IonicContact OE1-NZ 2.83Å; E325-K329 PolarHBondContact OE1-NZ 3.06Å
326A98.1Very high97.7Very high5 Ų557.9 Ų57.94%0.04129%0.293CS..Hα-helixtrans-67.1-39.5175.700000112N323 W330 L370 M470N323-A326 HydrophobicContact CB-CB 4.01Å; N323-A326 PolarHBondContact O-N 3.31Å; N323-A326 WeakPolarHBondContact OD1-CB 3.47Å; N323-A326 PolarHBondContact OD1-N 3.15Å; A326-W330 WeakPolarHBondContact O-CB 3.25Å; A326-W330 PolarHBondContact O-N 3.02Å; A326-L370 HydrophobicContact CB-CD1 4.31Å; A326-M470 HydrophobicContact CB-CE 3.59Å
327L98.6Very high97.9Very high31 Ų3156.9 Ų56.916%0.16229%0.287CS..Hα-helixtrans-61.6-46.5174.5176.662.8000111.7N323 P324 W330 A331 L365 V372 E376N323-L327 PolarHBondContact O-N 3.44Å; P324-L327 PolarHBondContact O-N 2.95Å; L327-W330 HydrophobicContact CD1-CE3 4.21Å; L327-W330 PolarHBondContact O-N 3.45Å; L327-A331 WeakPolarHBondContact O-CB 3.46Å; L327-A331 PolarHBondContact O-N 2.88Å; L327-L365 HydrophobicContact CD1-CD1 4.11Å; L327-L365 HydrophobicContact CD1-CD2 4.49Å; L327-V372 HydrophobicContact CD1-CG1 4.41Å; L327-E376 HydrophobicContact CD1-CB 3.75Å; L327-E376 HydrophobicContact CD2-CB 3.73Å; L327-E376 HydrophobicContact CD2-CG 3.97Å; L327-E376 HydrophobicContact CG-CB 4.4Å
328A98.4Very high98Very high38 Ų3852.4 Ų52.431%0.31427%0.266SS..Hα-helixtrans-60.2-49.7177.700000111.5P324 E325 W330 A331 E332P324-A328 WeakPolarHBondContact O-CB 3.49Å; P324-A328 PolarHBondContact O-N 2.83Å; E325-A328 PolarHBondContact O-N 2.86Å; A328-W330 VanDerWaalsContact C-N 3.26Å; A328-W330 PolarHBondContact O-N 3.03Å; A328-A331 PolarHBondContact O-N 3.46Å; A328-A331 VanDerWaalsContact O-N 3.15Å; A328-E332 WeakPolarHBondContact O-CB 3.41Å; A328-E332 WeakPolarHBondContact O-CG 3.45Å; A328-E332 PolarHBondContact O-N 3.46Å
329K98.6Very high98.2Very high67 Ų6752.4 Ų52.429%0.29127%0.266SS..Hα-helixtrans-58.2-36.9176.2-72.6175-172169.40112.8E325 G333 Q334 T335 M470E325-K329 WeakPolarHBondContact O-CG 3.36Å; E325-K329 PolarHBondContact O-N 2.7Å; E325-K329 VanDerWaalsContact O-N 3.08Å; E325-K329 WeakPolarHBondContact OE1-CE 3.37Å; E325-K329 IonicContact OE1-NZ 2.83Å; E325-K329 PolarHBondContact OE1-NZ 3.06Å; K329-G333 PolarHBondContact O-N 3.1Å; K329-Q334 CarbonylContact O-C 3.54Å; K329-Q334 PolarHBondContact O-N 3.37Å; K329-T335 PolarHBondContact O-N 3.02Å; K329-M470 HydrophobicContact CB-CE 4.17Å; K329-M470 HydrophobicContact CB-SD 4.27Å; K329-M470 HydrophobicContact CD-CE 4.28Å
330W98.8Very high98.3Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-69.5-48.417417686.2000112.2A326 L327 A328 E332 G333 T335 M344 V361 F364 L365 L370 V380 F381 W397A326-W330 WeakPolarHBondContact O-CB 3.25Å; A326-W330 PolarHBondContact O-N 3.02Å; L327-W330 HydrophobicContact CD1-CE3 4.21Å; L327-W330 PolarHBondContact O-N 3.45Å; A328-W330 VanDerWaalsContact C-N 3.26Å; A328-W330 PolarHBondContact O-N 3.03Å; W330-E332 VanDerWaalsContact C-N 3.29Å; W330-E332 PolarHBondContact O-N 2.9Å; W330-G333 PolarHBondContact O-N 3.46Å; W330-T335 HydrophobicContact CB-CG2 4.23Å; W330-M344 HydrophobicContact CD2-CE 3.96Å; W330-M344 HydrophobicContact CE3-CE 3.87Å; W330-M344 HydrophobicContact CH2-CE 3.57Å; W330-M344 HydrophobicContact CH2-SD 4.23Å; W330-M344 HydrophobicContact CZ2-CE 3.66Å; W330-M344 HydrophobicContact CZ2-SD 3.76Å; W330-M344 HydrophobicContact CZ3-CE 3.68Å; W330-M344 WeakPolarHBondContact O-CG 3.5Å; W330-V361 HydrophobicContact CZ2-CB 4.02Å; W330-V361 HydrophobicContact CZ2-CG2 4.05Å; W330-V361 PolarHBondContact NE1-O 3.24Å; W330-F364 AromaticContact CD1-CD1 3.85Å; W330-L365 HydrophobicContact CB-CD1 4.23Å; W330-L365 HydrophobicContact CD2-CB 4.2Å; W330-L365 HydrophobicContact CD2-CD1 3.89Å; W330-L365 HydrophobicContact CD2-CD2 4.08Å; W330-L365 HydrophobicContact CD2-CG 4.28Å; W330-L365 HydrophobicContact CE3-CD1 4.08Å; W330-L365 HydrophobicContact CE3-CD2 3.9Å; W330-L365 HydrophobicContact CE3-CG 4.5Å; W330-L365 HydrophobicContact CG-CB 4.42Å; W330-L365 HydrophobicContact CG-CD1 3.94Å; W330-L365 HydrophobicContact CH2-CD2 3.87Å; W330-L365 HydrophobicContact CZ2-CB 4.27Å; W330-L365 HydrophobicContact CZ2-CD2 4.03Å; W330-L365 HydrophobicContact CZ3-CD2 3.79Å; W330-L370 HydrophobicContact CB-CD1 4.01Å; W330-V380 HydrophobicContact CH2-CB 4.38Å; W330-V380 HydrophobicContact CH2-CG1 4.35Å; W330-V380 HydrophobicContact CZ3-CB 3.77Å; W330-V380 HydrophobicContact CZ3-CG1 3.8Å; W330-V380 HydrophobicContact CZ3-CG2 3.96Å; W330-F381 HydrophobicContact CH2-CD1 4.19Å; W330-F381 AromaticContact CH2-CE1 3.95Å; W330-F381 HydrophobicContact CH2-CE1 3.95Å; W330-F381 HydrophobicContact CZ2-CE1 4.22Å; W330-W397 AromaticContact CH2-CH2 3.75Å; W330-W397 HydrophobicContact CH2-CH2 3.75Å; W330-W397 AromaticContact CH2-CZ2 3.96Å; W330-W397 HydrophobicContact CH2-CZ2 3.96Å; W330-W397 AromaticContact CZ2-CH2 3.8Å; W330-W397 HydrophobicContact CZ2-CH2 3.8Å; W330-W397 HydrophobicContact CZ2-CZ2 4.3Å
331A98.3Very high98.3Very high11 Ų1146.7 Ų46.79%0.09123%0.232CC..Hα-helixtrans-64.8-31.2-178.300000113.3L327 A328 R348 V380L327-A331 WeakPolarHBondContact O-CB 3.46Å; L327-A331 PolarHBondContact O-N 2.88Å; A328-A331 PolarHBondContact O-N 3.46Å; A328-A331 VanDerWaalsContact O-N 3.15Å; A331-R348 PolarHBondContact O-NH2 3.47Å; A331-V380 HydrophobicContact CB-CG1 4.08Å; A331-V380 HydrophobicContact CB-CG2 3.91Å
332E98.1Very high98.4Very high108 Ų10843.3 Ų43.351%0.50521%0.214SC..THydrogen-bonded Turntrans-91.3-6.4179.8-67.3176-153.700113.8A328 W330 Q334A328-E332 WeakPolarHBondContact O-CB 3.41Å; A328-E332 WeakPolarHBondContact O-CG 3.45Å; A328-E332 PolarHBondContact O-N 3.46Å; W330-E332 VanDerWaalsContact C-N 3.29Å; W330-E332 PolarHBondContact O-N 2.9Å; E332-Q334 HydrophobicContact CB-CG 4.18Å; E332-Q334 PolarHBondContact OE2-NE2 3.42Å; E332-Q334 VanDerWaalsContact OE2-NE2 3.11Å
333G98.3Very high98.4Very high8 Ų831.6 Ų31.68%0.08217%0.169CC..THydrogen-bonded Turntrans69.743.1-177.100000113.5K329 W330 D341K329-G333 PolarHBondContact O-N 3.1Å; W330-G333 PolarHBondContact O-N 3.46Å; G333-D341 VanDerWaalsContact O-CB 3.23Å; G333-D341 WeakPolarHBondContact O-CB 3.37Å
334Q98.4Very high98.5Very high92 Ų9228.3 Ų28.343%0.4315%0.152SC..  trans-123.630-179.8-58-178.420.400112.3K329 E332 G336 D341 P467K329-Q334 CarbonylContact O-C 3.54Å; K329-Q334 PolarHBondContact O-N 3.37Å; E332-Q334 HydrophobicContact CB-CG 4.18Å; E332-Q334 PolarHBondContact OE2-NE2 3.42Å; E332-Q334 VanDerWaalsContact OE2-NE2 3.11Å; Q334-G336 PolarHBondContact O-N 2.94Å; Q334-D341 PolarHBondContact N-OD1 3.49Å; Q334-P467 HydrophobicContact CB-CG 4.33Å
335T98.6Very high98.5Very high0 Ų024.8 Ų24.80%013%0.129CC..SBendtrans-70.4-18.3179.568.60000113.1K329 W330 F337 I340 D341 F364 M470K329-T335 PolarHBondContact O-N 3.02Å; W330-T335 HydrophobicContact CB-CG2 4.23Å; T335-F337 PolarHBondContact O-N 3.12Å; T335-F337 PolarHBondContact OG1-N 3.1Å; T335-F337 VanDerWaalsContact OG1-N 3.14Å; T335-I340 HydrophobicContact CG2-CG2 3.88Å; T335-D341 VanDerWaalsContact CB-OD1 3.29Å; T335-D341 WeakPolarHBondContact CB-OD1 3.4Å; T335-D341 WeakPolarHBondContact CG2-OD1 3.25Å; T335-D341 PolarHBondContact N-OD1 3Å; T335-D341 PolarHBondContact N-OD2 3.3Å; T335-D341 PolarHBondContact OG1-OD1 3.31Å; T335-F364 HydrophobicContact CG2-CE1 3.73Å; T335-F364 HydrophobicContact CG2-CZ 4.35Å; T335-M470 VanDerWaalsContact CA-SD 3.58Å; T335-M470 VanDerWaalsContact CB-SD 3.54Å; T335-M470 HydrophobicContact CG2-SD 3.72Å; T335-M470 WeakPolarHBondContact O-CB 3.34Å; T335-M470 WeakPolarHBondContact O-CG 3.25Å; T335-M470 PolarHBondContact O-N 3.08Å
336G98.3Very high98.5Very high0 Ų018.9 Ų18.90%010%0.101CC..SBendtrans79.14.9-171.900000113.3Q334 D341 W448 Y466Q334-G336 PolarHBondContact O-N 2.94Å; G336-D341 PolarHBondContact N-OD2 3.14Å; G336-W448 WeakPolarHBondContact O-CZ3 3.41Å; G336-Y466 WeakPolarHBondContact CA-OH 3.44Å; G336-Y466 PolarHBondContact O-OH 2.7Å
337F98.8Very high98.5Very high6 Ų618.6 Ų18.63%0.02610%0.099CC..  trans-104.2103.4169.7-70.8-92000109.8T335 W339 I340 D341 F364 P415 V416 W448 Y466 P469 V471 H473T335-F337 PolarHBondContact O-N 3.12Å; T335-F337 PolarHBondContact OG1-N 3.1Å; T335-F337 VanDerWaalsContact OG1-N 3.14Å; F337-W339 PolarHBondContact O-N 3.32Å; F337-I340 HydrophobicContact CB-CB 4.23Å; F337-I340 HydrophobicContact CB-CG1 4.06Å; F337-I340 PolarHBondContact O-N 3.32Å; F337-D341 PolarHBondContact O-N 2.96Å; F337-F364 AromaticContact CD2-CE2 3.71Å; F337-F364 HydrophobicContact CD2-CE2 3.71Å; F337-F364 AromaticContact CD2-CZ 3.6Å; F337-F364 HydrophobicContact CD2-CZ 3.6Å; F337-F364 AromaticContact CE2-CE2 3.9Å; F337-F364 HydrophobicContact CE2-CE2 3.9Å; F337-F364 AromaticContact CE2-CZ 3.88Å; F337-F364 HydrophobicContact CE2-CZ 3.88Å; F337-F364 HydrophobicContact CG-CE2 4.12Å; F337-F364 HydrophobicContact CG-CZ 4.35Å; F337-F364 HydrophobicContact CZ-CE2 4.45Å; F337-P415 HydrophobicContact CB-CB 4.42Å; F337-P415 HydrophobicContact CD1-CB 3.91Å; F337-P415 HydrophobicContact CD1-CG 3.68Å; F337-P415 HydrophobicContact CE1-CG 3.8Å; F337-P415 HydrophobicContact CG-CB 4.31Å; F337-P415 HydrophobicContact CG-CG 4.37Å; F337-V416 HydrophobicContact CD1-CG2 4.14Å; F337-V416 HydrophobicContact CE1-CG2 4.28Å; F337-W448 AromaticContact CD1-CH2 3.62Å; F337-W448 HydrophobicContact CD1-CH2 3.62Å; F337-W448 HydrophobicContact CD1-CZ2 4.48Å; F337-W448 HydrophobicContact CD1-CZ3 4.23Å; F337-W448 AromaticContact CE1-CH2 3.75Å; F337-W448 HydrophobicContact CE1-CH2 3.75Å; F337-W448 HydrophobicContact CE1-CZ2 4.19Å; F337-W448 HydrophobicContact CG-CH2 4.43Å; F337-Y466 VanDerWaalsContact C-OH 3.23Å; F337-Y466 PolarHBondContact N-OH 2.88Å; F337-P469 HydrophobicContact CD2-CB 4.17Å; F337-P469 HydrophobicContact CE1-CB 4.32Å; F337-P469 HydrophobicContact CE2-CB 3.6Å; F337-P469 HydrophobicContact CZ-CB 3.69Å; F337-V471 HydrophobicContact CE2-CG2 3.95Å; F337-V471 HydrophobicContact CZ-CG2 4.29Å; F337-V471 WeakPolarHBondContact CZ-O 3.32Å; F337-H473 HydrophobicContact CE1-CB 4.32Å; F337-H473 HydrophobicContact CZ-CB 4.31Å
338P98.7Very high98.5Very high0 Ų021.6 Ų21.60%011%0.108CC..Hα-helixtrans-57.4-28.8-168.7-33.138.5000115.6A342 I429 L433 L436 I444 P447 Y466P338-A342 WeakPolarHBondContact O-CB 3.48Å; P338-A342 PolarHBondContact O-N 3.45Å; P338-I429 HydrophobicContact CB-CD1 3.79Å; P338-I429 HydrophobicContact CB-CG1 4.24Å; P338-I429 HydrophobicContact CB-CG2 3.94Å; P338-L433 HydrophobicContact CB-CD1 4.19Å; P338-L433 WeakPolarHBondContact O-CD1 3.4Å; P338-L436 HydrophobicContact CB-CD1 3.6Å; P338-L436 HydrophobicContact CG-CD1 3.56Å; P338-I444 WeakPolarHBondContact CB-O 3.32Å; P338-I444 WeakPolarHBondContact CG-O 3.33Å; P338-P447 HydrophobicContact CG-CG 3.71Å; P338-Y466 VanDerWaalsContact CA-OH 3.32Å; P338-Y466 WeakPolarHBondContact CA-OH 3.24Å; P338-Y466 VanDerWaalsContact CD-OH 3.32Å; P338-Y466 WeakPolarHBondContact CD-OH 3.29Å; P338-Y466 HydrophobicContact CG-CE1 3.9Å; P338-Y466 WeakPolarHBondContact CG-OH 3.38Å
339W98.6Very high98.4Very high2 Ų225 Ų251%0.00812%0.118CC..Hα-helixtrans-67.2-46.8175175.2-114.5000112.8L244 F337 I343 P415 F418 G419 T422 Y428 Y445L244-W339 HydrophobicContact CD1-CH2 3.59Å; L244-W339 HydrophobicContact CD1-CZ3 3.68Å; L244-W339 HydrophobicContact CD2-CH2 3.89Å; L244-W339 HydrophobicContact CG-CH2 4.4Å; F337-W339 PolarHBondContact O-N 3.32Å; W339-I343 HydrophobicContact CD2-CD1 3.95Å; W339-I343 HydrophobicContact CG-CD1 4.35Å; W339-I343 HydrophobicContact CH2-CD1 4.37Å; W339-I343 HydrophobicContact CZ2-CD1 3.77Å; W339-I343 WeakPolarHBondContact O-CD1 3.44Å; W339-I343 VanDerWaalsContact O-CG1 3.23Å; W339-I343 WeakPolarHBondContact O-CG1 3.37Å; W339-I343 PolarHBondContact O-N 2.85Å; W339-P415 WeakPolarHBondContact CB-O 3.39Å; W339-F418 AromaticContact CE2-CD1 3.97Å; W339-F418 AromaticContact CZ2-CD1 3.79Å; W339-F418 HydrophobicContact CZ2-CD1 3.79Å; W339-F418 AromaticContact CZ2-CE1 3.98Å; W339-F418 HydrophobicContact CZ2-CE1 3.98Å; W339-F418 AromaticContact NE1-CD1 3.73Å; W339-G419 VanDerWaalsContact CD2-CA 3.48Å; W339-T422 HydrophobicContact CH2-CG2 4.44Å; W339-Y428 HydrophobicContact CE3-CD1 4.12Å; W339-Y428 HydrophobicContact CE3-CE1 4.31Å; W339-Y428 AromaticContact CZ3-CD1 3.77Å; W339-Y428 HydrophobicContact CZ3-CD1 3.77Å; W339-Y428 HydrophobicContact CZ3-CE1 4Å; W339-Y445 HydrophobicContact CB-CD1 4.2Å; W339-Y445 HydrophobicContact CB-CE1 4.22Å; W339-Y445 HydrophobicContact CE3-CE1 4.06Å
340I98.8Very high98.3Very high1 Ų122.5 Ų22.51%0.00511%0.107CC..Hα-helixtrans-67.3-46.7178.5-59.2-59.2000109.3T335 F337 A342 I343 M344 A360 V361 F364 P415T335-I340 HydrophobicContact CG2-CG2 3.88Å; F337-I340 HydrophobicContact CB-CB 4.23Å; F337-I340 HydrophobicContact CB-CG1 4.06Å; F337-I340 PolarHBondContact O-N 3.32Å; I340-A342 PolarHBondContact O-N 2.93Å; I340-I343 PolarHBondContact O-N 2.91Å; I340-M344 WeakPolarHBondContact O-CG 3.31Å; I340-M344 PolarHBondContact O-N 3.19Å; I340-A360 HydrophobicContact CD1-CB 4.47Å; I340-V361 HydrophobicContact CD1-CG1 4.16Å; I340-V361 HydrophobicContact CG2-CG1 4.19Å; I340-F364 HydrophobicContact CD1-CB 3.94Å; I340-F364 HydrophobicContact CD1-CD2 4.27Å; I340-F364 HydrophobicContact CD1-CG 4.12Å; I340-F364 HydrophobicContact CG1-CB 4.42Å; I340-F364 HydrophobicContact CG1-CD2 3.98Å; I340-F364 HydrophobicContact CG1-CE2 4.36Å; I340-F364 HydrophobicContact CG1-CG 4.05Å; I340-F364 HydrophobicContact CG2-CD1 4.13Å; I340-F364 HydrophobicContact CG2-CE1 4.43Å; I340-F364 HydrophobicContact CG2-CG 4.43Å; I340-P415 HydrophobicContact CD1-CB 4.09Å; I340-P415 HydrophobicContact CG1-CB 3.82Å
341D98.8Very high98.2Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-63.1-40.8-179-68.4-8.5000111.9G333 Q334 T335 G336 F337 M344 T345 L433 Y466G333-D341 VanDerWaalsContact O-CB 3.23Å; G333-D341 WeakPolarHBondContact O-CB 3.37Å; Q334-D341 PolarHBondContact N-OD1 3.49Å; T335-D341 VanDerWaalsContact CB-OD1 3.29Å; T335-D341 WeakPolarHBondContact CB-OD1 3.4Å; T335-D341 WeakPolarHBondContact CG2-OD1 3.25Å; T335-D341 PolarHBondContact N-OD1 3Å; T335-D341 PolarHBondContact N-OD2 3.3Å; T335-D341 PolarHBondContact OG1-OD1 3.31Å; G336-D341 PolarHBondContact N-OD2 3.14Å; F337-D341 PolarHBondContact O-N 2.96Å; D341-M344 PolarHBondContact O-N 2.91Å; D341-T345 VanDerWaalsContact O-CB 3.28Å; D341-T345 WeakPolarHBondContact O-CB 3.48Å; D341-T345 PolarHBondContact O-N 3.36Å; D341-T345 PolarHBondContact O-OG1 3.02Å; D341-L433 HydrophobicContact CB-CD1 3.76Å; D341-L433 HydrophobicContact CB-CD2 4.33Å; D341-Y466 PolarHBondContact OD2-OH 3.4Å
342A98.7Very high98.2Very high0 Ų023.3 Ų23.30%011%0.108CC..Hα-helixtrans-64.9-38174.700000112.8P338 I340 Q346 Y428 I429 L433P338-A342 WeakPolarHBondContact O-CB 3.48Å; P338-A342 PolarHBondContact O-N 3.45Å; I340-A342 PolarHBondContact O-N 2.93Å; A342-Q346 PolarHBondContact O-N 3.17Å; A342-Y428 HydrophobicContact CB-CD1 3.96Å; A342-Y428 HydrophobicContact CB-CE1 3.67Å; A342-I429 HydrophobicContact CB-CG1 4.23Å; A342-L433 HydrophobicContact CB-CD1 4.14Å; A342-L433 HydrophobicContact CB-CG 4.13Å
343I98.7Very high98.2Very high0 Ų018.1 Ų18.10%08%0.083CC..Hα-helixtrans-66.5-47.8176.2-66.7164.4000110.9W339 I340 T345 Q346 L347 I353 A357 A360 V361 Y428W339-I343 HydrophobicContact CD2-CD1 3.95Å; W339-I343 HydrophobicContact CG-CD1 4.35Å; W339-I343 HydrophobicContact CH2-CD1 4.37Å; W339-I343 HydrophobicContact CZ2-CD1 3.77Å; W339-I343 WeakPolarHBondContact O-CD1 3.44Å; W339-I343 VanDerWaalsContact O-CG1 3.23Å; W339-I343 WeakPolarHBondContact O-CG1 3.37Å; W339-I343 PolarHBondContact O-N 2.85Å; I340-I343 PolarHBondContact O-N 2.91Å; I343-T345 VanDerWaalsContact C-N 3.27Å; I343-T345 PolarHBondContact O-N 3.28Å; I343-Q346 PolarHBondContact O-N 2.99Å; I343-L347 WeakPolarHBondContact O-CB 3.45Å; I343-L347 PolarHBondContact O-N 2.85Å; I343-I353 HydrophobicContact CG2-CB 4.28Å; I343-I353 HydrophobicContact CG2-CD1 3.49Å; I343-I353 VanDerWaalsContact CG2-CD1 3.49Å; I343-I353 HydrophobicContact CG2-CG1 4.48Å; I343-I353 HydrophobicContact CG2-CG2 4.02Å; I343-I353 WeakPolarHBondContact O-CG2 3.18Å; I343-A357 HydrophobicContact CD1-CB 3.74Å; I343-A357 HydrophobicContact CG1-CB 3.87Å; I343-A357 HydrophobicContact CG2-CB 3.79Å; I343-A360 HydrophobicContact CD1-CB 4.25Å; I343-V361 HydrophobicContact CB-CG1 3.73Å; I343-V361 HydrophobicContact CD1-CG1 3.99Å; I343-V361 HydrophobicContact CG1-CG1 4.48Å; I343-V361 HydrophobicContact CG2-CG1 3.46Å; I343-V361 VanDerWaalsContact CG2-CG1 3.46Å; I343-V361 HydrophobicContact CG2-CG2 4.37Å; I343-Y428 WeakPolarHBondContact CA-OH 3.45Å; I343-Y428 HydrophobicContact CG1-CE1 3.98Å
344M98.8Very high98.1Very high1 Ų119 Ų191%0.0059%0.085CC..Hα-helixtrans-66.4-33.3179.6-63.6-56.9-69.200111.4W330 I340 D341 L347 R348 V361 V380W330-M344 HydrophobicContact CD2-CE 3.96Å; W330-M344 HydrophobicContact CE3-CE 3.87Å; W330-M344 HydrophobicContact CH2-CE 3.57Å; W330-M344 HydrophobicContact CH2-SD 4.23Å; W330-M344 HydrophobicContact CZ2-CE 3.66Å; W330-M344 HydrophobicContact CZ2-SD 3.76Å; W330-M344 HydrophobicContact CZ3-CE 3.68Å; W330-M344 WeakPolarHBondContact O-CG 3.5Å; I340-M344 WeakPolarHBondContact O-CG 3.31Å; I340-M344 PolarHBondContact O-N 3.19Å; D341-M344 PolarHBondContact O-N 2.91Å; M344-L347 HydrophobicContact CE-CD2 4.26Å; M344-L347 PolarHBondContact O-N 2.9Å; M344-L347 HydrophobicContact SD-CD2 4.27Å; M344-R348 WeakPolarHBondContact O-CB 3.36Å; M344-R348 PolarHBondContact O-N 3.29Å; M344-V361 HydrophobicContact CG-CG1 4.16Å; M344-V361 HydrophobicContact SD-CB 3.93Å; M344-V361 HydrophobicContact SD-CG1 3.97Å; M344-V361 HydrophobicContact SD-CG2 3.94Å; M344-V380 HydrophobicContact CE-CG1 4.01Å
345T98.4Very high97.8Very high26 Ų2618.5 Ų18.516%0.168%0.083CC..Hα-helixtrans-64.9-46.4170.9-56.40000112.1D341 I343 L347 R348 Q349 Y432D341-T345 VanDerWaalsContact O-CB 3.28Å; D341-T345 WeakPolarHBondContact O-CB 3.48Å; D341-T345 PolarHBondContact O-N 3.36Å; D341-T345 PolarHBondContact O-OG1 3.02Å; I343-T345 VanDerWaalsContact C-N 3.27Å; I343-T345 PolarHBondContact O-N 3.28Å; T345-L347 VanDerWaalsContact C-N 3.33Å; T345-L347 PolarHBondContact O-N 3.49Å; T345-R348 PolarHBondContact O-N 3.18Å; T345-Q349 HydrophobicContact CG2-CG 4.32Å; T345-Q349 VanDerWaalsContact CG2-NE2 3.32Å; T345-Q349 WeakPolarHBondContact O-CB 3.36Å; T345-Q349 WeakPolarHBondContact O-CG 3.15Å; T345-Q349 PolarHBondContact O-N 3.47Å; T345-Y432 WeakPolarHBondContact CG2-O 3.34Å
346Q98.4Very high97.4Very high0 Ų020.3 Ų20.30%09%0.092CC..Hα-helixtrans-59.7-44.4174.5-176.6-176.117.400111.2L244 A342 I343 R348 Q349 E350 I353 Y428 Y432L244-Q346 PolarHBondContact O-NE2 2.98Å; L244-Q346 VanDerWaalsContact O-NE2 3.1Å; L244-Q346 PolarHBondContact O-OE1 3.25Å; A342-Q346 PolarHBondContact O-N 3.17Å; I343-Q346 PolarHBondContact O-N 2.99Å; Q346-R348 PolarHBondContact O-N 2.92Å; Q346-Q349 PolarHBondContact O-N 3.41Å; Q346-E350 HydrophobicContact CG-CB 4.38Å; Q346-E350 HydrophobicContact CG-CG 4.18Å; Q346-E350 WeakPolarHBondContact CG-OE2 3.38Å; Q346-E350 PolarHBondContact NE2-OE2 2.84Å; Q346-E350 WeakPolarHBondContact O-CB 3.47Å; Q346-E350 PolarHBondContact O-N 3.08Å; Q346-I353 HydrophobicContact CB-CG2 3.99Å; Q346-I353 HydrophobicContact CG-CG2 4Å; Q346-Y428 PolarHBondContact OE1-OH 3.02Å; Q346-Y432 HydrophobicContact CB-CD1 3.85Å; Q346-Y432 HydrophobicContact CB-CD2 4.25Å; Q346-Y432 HydrophobicContact CB-CE1 3.74Å; Q346-Y432 HydrophobicContact CB-CE2 4.16Å; Q346-Y432 HydrophobicContact CB-CG 4.12Å; Q346-Y432 HydrophobicContact CG-CD1 4.34Å; Q346-Y432 HydrophobicContact CG-CE1 3.7Å; Q346-Y432 HydrophobicContact CG-CE2 4.15Å; Q346-Y432 PolarHBondContact NE2-OH 3.27Å
347L98.4Very high97.3Very high0 Ų020.3 Ų20.30%09%0.093CC..Hα-helixtrans-58.3-47.4178.2175.755.8000111.3I343 M344 T345 G351 I353 F381 L384 L385I343-L347 WeakPolarHBondContact O-CB 3.45Å; I343-L347 PolarHBondContact O-N 2.85Å; M344-L347 HydrophobicContact CE-CD2 4.26Å; M344-L347 PolarHBondContact O-N 2.9Å; M344-L347 HydrophobicContact SD-CD2 4.27Å; T345-L347 VanDerWaalsContact C-N 3.33Å; T345-L347 PolarHBondContact O-N 3.49Å; L347-G351 WeakPolarHBondContact O-CA 3.37Å; L347-G351 PolarHBondContact O-N 3.47Å; L347-I353 HydrophobicContact CB-CD1 4.35Å; L347-I353 HydrophobicContact CB-CG1 4.49Å; L347-I353 HydrophobicContact CB-CG2 3.79Å; L347-I353 HydrophobicContact CD1-CG1 4.37Å; L347-I353 HydrophobicContact CD2-CD1 4.22Å; L347-F381 HydrophobicContact CD2-CD1 3.66Å; L347-F381 HydrophobicContact CD2-CE1 3.48Å; L347-F381 VanDerWaalsContact CD2-CE1 3.48Å; L347-F381 HydrophobicContact CD2-CZ 4.25Å; L347-L384 HydrophobicContact CD1-CB 3.88Å; L347-L384 HydrophobicContact CD2-CB 4.31Å; L347-L384 HydrophobicContact CD2-CD1 4.24Å; L347-L384 HydrophobicContact CG-CB 3.73Å; L347-L384 HydrophobicContact CG-CD1 3.98Å; L347-L385 HydrophobicContact CD1-CB 4Å; L347-L385 HydrophobicContact CD1-CD1 3.51Å; L347-L385 HydrophobicContact CD1-CG 4.36Å
348R97.1Very high97.3Very high93 Ų9322.1 Ų22.135%0.35110%0.099SC..Hα-helixtrans-66.4-41.1179.7-168.7169.9-68.1-77.5-0.3112.5N50 A331 M344 T345 Q346 E383 L384N50-R348 PolarHBondContact ND2-O 3.41Å; N50-R348 VanDerWaalsContact ND2-O 3.14Å; A331-R348 PolarHBondContact O-NH2 3.47Å; M344-R348 WeakPolarHBondContact O-CB 3.36Å; M344-R348 PolarHBondContact O-N 3.29Å; T345-R348 PolarHBondContact O-N 3.18Å; Q346-R348 PolarHBondContact O-N 2.92Å; R348-E383 IonicContact CZ-OE1 3.85Å; R348-E383 IonicContact NH1-OE1 2.85Å; R348-E383 PolarHBondContact NH1-OE1 2.92Å; R348-L384 HydrophobicContact CB-CD1 4.09Å; R348-L384 HydrophobicContact CB-CD2 4.46Å; R348-L384 HydrophobicContact CG-CD1 4.41Å; R348-L384 HydrophobicContact CG-CD2 4.12Å
349Q96.3Very high97.1Very high110 Ų11023.4 Ų23.451%0.51411%0.105SC..Hα-helixtrans-76.1-47.8-178.1-70.5176.6-0.900113.6N50 T345 Q346N50-Q349 PolarHBondContact ND2-O 3.29Å; T345-Q349 HydrophobicContact CG2-CG 4.32Å; T345-Q349 VanDerWaalsContact CG2-NE2 3.32Å; T345-Q349 WeakPolarHBondContact O-CB 3.36Å; T345-Q349 WeakPolarHBondContact O-CG 3.15Å; T345-Q349 PolarHBondContact O-N 3.47Å; Q346-Q349 PolarHBondContact O-N 3.41Å
350E97.4Very high97Very high15 Ų1523.5 Ų23.57%0.0711%0.106CC..Hα-helixtrans-103.4-14.8-169.7-54.9-174170.300113.4V209 W210 Q346 W352 R431 Y432V209-E350 HydrophobicContact CB-CB 4.48Å; V209-E350 HydrophobicContact CG2-CB 4.49Å; V209-E350 HydrophobicContact CG2-CG 4.06Å; W210-E350 VanDerWaalsContact CD1-O 3.22Å; Q346-E350 HydrophobicContact CG-CB 4.38Å; Q346-E350 HydrophobicContact CG-CG 4.18Å; Q346-E350 WeakPolarHBondContact CG-OE2 3.38Å; Q346-E350 PolarHBondContact NE2-OE2 2.84Å; Q346-E350 WeakPolarHBondContact O-CB 3.47Å; Q346-E350 PolarHBondContact O-N 3.08Å; E350-W352 PolarHBondContact O-N 2.87Å; E350-R431 IonicContact OE1-NH2 2.72Å; E350-Y432 HydrophobicContact CG-CE1 4.42Å; E350-Y432 WeakPolarHBondContact OE1-CE1 3.33Å; E350-Y432 PolarHBondContact OE1-OH 2.94Å; E350-Y432 PolarHBondContact OE2-OH 3.15Å
351G97.3Very high97Very high0 Ų023.4 Ų23.40%011%0.106CC..SBendtrans70.410.3-177.400000114.8L347 L384 L386L347-G351 WeakPolarHBondContact O-CA 3.37Å; L347-G351 PolarHBondContact O-N 3.47Å; G351-L384 VanDerWaalsContact CA-O 3.24Å; G351-L384 WeakPolarHBondContact CA-O 3.23Å; G351-L386 WeakPolarHBondContact O-CB 3.15Å; G351-L386 WeakPolarHBondContact O-CG 3.5Å; G351-L386 PolarHBondContact O-N 2.75Å
352W98.3Very high97Very high27 Ų2723.4 Ų23.410%0.10211%0.106CC..  trans-147.2138.6177.4-177.491.5000111.5W210 S252 E350 H354 D387W210-W352 AromaticContact CE2-CG 3.98Å; W210-W352 HydrophobicContact CH2-CD2 4.33Å; W210-W352 HydrophobicContact CH2-CG 4.39Å; W210-W352 HydrophobicContact CZ2-CB 3.92Å; W210-W352 AromaticContact CZ2-CD2 3.63Å; W210-W352 HydrophobicContact CZ2-CD2 3.63Å; W210-W352 AromaticContact CZ2-CE3 3.93Å; W210-W352 HydrophobicContact CZ2-CE3 3.93Å; W210-W352 AromaticContact CZ2-CG 3.64Å; W210-W352 HydrophobicContact CZ2-CG 3.64Å; S252-W352 PolarHBondContact OG-NE1 3.47Å; E350-W352 PolarHBondContact O-N 2.87Å; W352-H354 HydrophobicContact CH2-CB 3.88Å; W352-H354 HydrophobicContact CZ3-CB 4.25Å; W352-D387 VanDerWaalsContact CD1-OD2 3.23Å; W352-D387 PolarHBondContact NE1-OD2 3.39Å
353I98.1Very high96.9Very high0 Ų023.5 Ų23.50%011%0.106CC..  trans-135.1148.416953.5169.3000110.7I343 Q346 L347 A357 R358 V361 F381 L385I343-I353 HydrophobicContact CG2-CB 4.28Å; I343-I353 HydrophobicContact CG2-CD1 3.49Å; I343-I353 VanDerWaalsContact CG2-CD1 3.49Å; I343-I353 HydrophobicContact CG2-CG1 4.48Å; I343-I353 HydrophobicContact CG2-CG2 4.02Å; I343-I353 WeakPolarHBondContact O-CG2 3.18Å; Q346-I353 HydrophobicContact CB-CG2 3.99Å; Q346-I353 HydrophobicContact CG-CG2 4Å; L347-I353 HydrophobicContact CB-CD1 4.35Å; L347-I353 HydrophobicContact CB-CG1 4.49Å; L347-I353 HydrophobicContact CB-CG2 3.79Å; L347-I353 HydrophobicContact CD1-CG1 4.37Å; L347-I353 HydrophobicContact CD2-CD1 4.22Å; I353-A357 HydrophobicContact CB-CB 4.28Å; I353-R358 HydrophobicContact CD1-CB 4.49Å; I353-R358 HydrophobicContact CD1-CG 3.73Å; I353-R358 HydrophobicContact CG1-CG 3.7Å; I353-R358 PolarHBondContact O-NE 3.25Å; I353-R358 PolarHBondContact O-NH2 3.34Å; I353-V361 HydrophobicContact CD1-CG2 4.34Å; I353-F381 HydrophobicContact CD1-CZ 3.93Å; I353-L385 HydrophobicContact CG1-CD1 4.39Å
354H95.8Very high96.9Very high26 Ų2623.6 Ų23.612%0.1211%0.107CC..  trans-58.4145.8178.4-176.6-96000111.8S243 L244 W352 L356 A357 R358S243-H354 PolarHBondContact O-CD2 3.18Å; L244-H354 HydrophobicContact CD2-CB 4.38Å; W352-H354 HydrophobicContact CH2-CB 3.88Å; W352-H354 HydrophobicContact CZ3-CB 4.25Å; H354-L356 VanDerWaalsContact C-N 3.31Å; H354-L356 PolarHBondContact ND1-N 2.95Å; H354-L356 PolarHBondContact O-N 3.41Å; H354-A357 HydrophobicContact CB-CB 4.44Å; H354-A357 WeakPolarHBondContact O-CA 3.23Å; H354-A357 VanDerWaalsContact O-CB 3.23Å; H354-A357 WeakPolarHBondContact O-CB 3.39Å; H354-A357 PolarHBondContact O-N 3.28Å; H354-R358 PolarHBondContact O-N 3.38Å
355H91.4Very high96.9Very high82 Ų8223.6 Ų23.638%0.3811%0.107SC..Hα-helixtrans-55.2-40.9-175.165.9-80.6000113.6A357 R358 H359H355-A357 VanDerWaalsContact C-N 3.28Å; H355-A357 PolarHBondContact O-N 3.46Å; H355-R358 WeakPolarHBondContact O-CA 3.4Å; H355-R358 VanDerWaalsContact O-CB 3.3Å; H355-R358 WeakPolarHBondContact O-CB 3.49Å; H355-R358 PolarHBondContact O-N 2.96Å; H355-R358 VanDerWaalsContact O-N 3.13Å; H355-H359 PolarHBondContact O-CD2 3Å; H355-H359 PolarHBondContact O-N 3.35Å
356L91.4Very high96.9Very high37 Ų3722.3 Ų22.319%0.19410%0.099CC..Hα-helixtrans-67.9-23.6174.5-67.9174.6000114.2M239 H354 A360 F418M239-L356 HydrophobicContact CE-CB 4.16Å; M239-L356 HydrophobicContact CE-CD1 3.77Å; M239-L356 HydrophobicContact SD-CD1 3.45Å; M239-L356 WeakPolarHBondContact SD-CD1 3.46Å; H354-L356 VanDerWaalsContact C-N 3.31Å; H354-L356 PolarHBondContact ND1-N 2.95Å; H354-L356 PolarHBondContact O-N 3.41Å; L356-A360 PolarHBondContact O-N 3Å; L356-F418 HydrophobicContact CB-CE1 4.35Å; L356-F418 HydrophobicContact CB-CZ 4.07Å
357A96.1Very high96.8Very high1 Ų123 Ų231%0.00810%0.102CC..Hα-helixtrans-72.6-40.1170.400000110.5I343 I353 H354 H355 H359 A360 V361I343-A357 HydrophobicContact CD1-CB 3.74Å; I343-A357 HydrophobicContact CG1-CB 3.87Å; I343-A357 HydrophobicContact CG2-CB 3.79Å; I353-A357 HydrophobicContact CB-CB 4.28Å; H354-A357 HydrophobicContact CB-CB 4.44Å; H354-A357 WeakPolarHBondContact O-CA 3.23Å; H354-A357 VanDerWaalsContact O-CB 3.23Å; H354-A357 WeakPolarHBondContact O-CB 3.39Å; H354-A357 PolarHBondContact O-N 3.28Å; H355-A357 VanDerWaalsContact C-N 3.28Å; H355-A357 PolarHBondContact O-N 3.46Å; A357-H359 VanDerWaalsContact C-N 3.33Å; A357-H359 PolarHBondContact O-N 3.06Å; A357-A360 PolarHBondContact O-N 3.09Å; A357-A360 VanDerWaalsContact O-N 3.15Å; A357-V361 PolarHBondContact O-N 3.04Å
358R97.2Very high96.7Very high44 Ų4423 Ų2317%0.16610%0.102CC..Hα-helixtrans-56.2-46170.1-55.5178.3-160.9-157.8-0.3111.3I353 H354 H355 A360 V361 A362 F381 D387I353-R358 HydrophobicContact CD1-CB 4.49Å; I353-R358 HydrophobicContact CD1-CG 3.73Å; I353-R358 HydrophobicContact CG1-CG 3.7Å; I353-R358 PolarHBondContact O-NE 3.25Å; I353-R358 PolarHBondContact O-NH2 3.34Å; H354-R358 PolarHBondContact O-N 3.38Å; H355-R358 WeakPolarHBondContact O-CA 3.4Å; H355-R358 VanDerWaalsContact O-CB 3.3Å; H355-R358 WeakPolarHBondContact O-CB 3.49Å; H355-R358 PolarHBondContact O-N 2.96Å; H355-R358 VanDerWaalsContact O-N 3.13Å; R358-A360 VanDerWaalsContact C-N 3.32Å; R358-A360 PolarHBondContact O-N 3.05Å; R358-V361 PolarHBondContact O-N 3.07Å; R358-A362 WeakPolarHBondContact O-CB 3.47Å; R358-A362 PolarHBondContact O-N 3.18Å; R358-F381 HydrophobicContact CB-CE2 3.97Å; R358-F381 HydrophobicContact CB-CZ 4.27Å; R358-F381 HydrophobicContact CG-CE2 3.84Å; R358-F381 HydrophobicContact CG-CZ 4.24Å; R358-D387 IonicContact CZ-OD1 2.83Å; R358-D387 IonicContact CZ-OD2 2.72Å; R358-D387 IonicContact NH1-OD1 3.98Å; R358-D387 PolarHBondContact NH1-OD1 3.5Å; R358-D387 IonicContact NH1-OD2 3.55Å; R358-D387 VanDerWaalsContact NH2-CG 3.26Å; R358-D387 IonicContact NH2-OD1 3.78Å; R358-D387 PolarHBondContact NH2-OD1 3.43Å; R358-D387 IonicContact NH2-OD2 3.75Å; R358-D387 PolarHBondContact NH2-OD2 3.15Å
359H95Very high96.8Very high27 Ų2719 Ų1913%0.1259%0.087CC..Hα-helixtrans-57.9-43.4176.2-71.3-150.5000112H355 A357 C363 W399 L400 Y413H355-H359 PolarHBondContact O-CD2 3Å; H355-H359 PolarHBondContact O-N 3.35Å; A357-H359 VanDerWaalsContact C-N 3.33Å; A357-H359 PolarHBondContact O-N 3.06Å; H359-C363 WeakPolarHBondContact O-CB 3.46Å; H359-C363 PolarHBondContact O-N 3.27Å; H359-W399 AromaticContact CE1-CH2 3.85Å; H359-W399 AromaticContact CE1-CZ3 3.73Å; H359-W399 AromaticContact NE2-CZ3 3.62Å; H359-L400 HydrophobicContact CB-CD2 4.24Å; H359-Y413 HydrophobicContact CB-CD2 4.41Å; H359-Y413 HydrophobicContact CB-CE2 3.8Å; H359-Y413 AromaticContact ND1-CZ 3.94Å; H359-Y413 PolarHBondContact ND1-OH 3.27Å; H359-Y413 VanDerWaalsContact ND1-OH 3.16Å
360A97Very high96.9Very high3 Ų314.4 Ų14.43%0.0257%0.066CC..Hα-helixtrans-64.4-49.9-18000000112I340 I343 L356 A357 R358 C363 F364 F418I340-A360 HydrophobicContact CD1-CB 4.47Å; I343-A360 HydrophobicContact CD1-CB 4.25Å; L356-A360 PolarHBondContact O-N 3Å; A357-A360 PolarHBondContact O-N 3.09Å; A357-A360 VanDerWaalsContact O-N 3.15Å; R358-A360 VanDerWaalsContact C-N 3.32Å; R358-A360 PolarHBondContact O-N 3.05Å; A360-C363 PolarHBondContact O-N 3.06Å; A360-F364 WeakPolarHBondContact O-CB 3.42Å; A360-F364 PolarHBondContact O-N 3.41Å; A360-F418 HydrophobicContact CB-CD1 4.18Å; A360-F418 HydrophobicContact CB-CE1 4.41Å
361V98.6Very high96.9Very high0 Ų014 Ų140%06%0.064CC..Hα-helixtrans-72.6-34.5-177.8-57.50000113W330 I340 I343 M344 I353 A357 R358 F364 L365 F381W330-V361 HydrophobicContact CZ2-CB 4.02Å; W330-V361 HydrophobicContact CZ2-CG2 4.05Å; W330-V361 PolarHBondContact NE1-O 3.24Å; I340-V361 HydrophobicContact CD1-CG1 4.16Å; I340-V361 HydrophobicContact CG2-CG1 4.19Å; I343-V361 HydrophobicContact CB-CG1 3.73Å; I343-V361 HydrophobicContact CD1-CG1 3.99Å; I343-V361 HydrophobicContact CG1-CG1 4.48Å; I343-V361 HydrophobicContact CG2-CG1 3.46Å; I343-V361 VanDerWaalsContact CG2-CG1 3.46Å; I343-V361 HydrophobicContact CG2-CG2 4.37Å; M344-V361 HydrophobicContact CG-CG1 4.16Å; M344-V361 HydrophobicContact SD-CB 3.93Å; M344-V361 HydrophobicContact SD-CG1 3.97Å; M344-V361 HydrophobicContact SD-CG2 3.94Å; I353-V361 HydrophobicContact CD1-CG2 4.34Å; A357-V361 PolarHBondContact O-N 3.04Å; R358-V361 PolarHBondContact O-N 3.07Å; V361-F364 PolarHBondContact O-N 2.94Å; V361-L365 PolarHBondContact O-N 2.95Å; V361-F381 HydrophobicContact CG2-CE1 4.07Å; V361-F381 HydrophobicContact CG2-CZ 3.73Å
362A98.3Very high97Very high0 Ų014.2 Ų14.20%07%0.065CC..Hα-helixtrans-70-39174.900000112.1R358 T366 W397 L400R358-A362 WeakPolarHBondContact O-CB 3.47Å; R358-A362 PolarHBondContact O-N 3.18Å; A362-T366 WeakPolarHBondContact O-CB 3.46Å; A362-T366 WeakPolarHBondContact O-CG2 3.37Å; A362-T366 PolarHBondContact O-N 3.49Å; A362-T366 VanDerWaalsContact O-N 3.1Å; A362-T366 PolarHBondContact O-OG1 3.43Å; A362-W397 HydrophobicContact CB-CE3 3.91Å; A362-W397 HydrophobicContact CB-CH2 3.61Å; A362-W397 HydrophobicContact CB-CZ2 4.22Å; A362-W397 HydrophobicContact CB-CZ3 3.43Å; A362-W397 VanDerWaalsContact CB-CZ3 3.43Å; A362-L400 HydrophobicContact CB-CB 4.15Å; A362-L400 HydrophobicContact CB-CD1 3.92Å
363C97.4Very high97Very high2 Ų213.4 Ų13.41%0.0146%0.064CC..Hα-helixtrans-61.3-49172-173.80000110.4H359 A360 L365 T366 G368 Y413H359-C363 WeakPolarHBondContact O-CB 3.46Å; H359-C363 PolarHBondContact O-N 3.27Å; A360-C363 PolarHBondContact O-N 3.06Å; C363-L365 PolarHBondContact O-N 2.96Å; C363-T366 PolarHBondContact O-N 2.84Å; C363-G368 WeakPolarHBondContact O-CA 3.45Å; C363-G368 PolarHBondContact O-N 3.05Å; C363-Y413 HydrophobicContact CB-CD2 3.98Å; C363-Y413 PolarHBondContact SG-N 2.69Å; C363-Y413 VanDerWaalsContact SG-N 3.41Å
364F98.6Very high97Very high2 Ų213.4 Ų13.41%0.0096%0.064CC..Iπ-helixtrans-57.8-47.7179.4-172.1-91.4000112W330 T335 F337 I340 A360 V361 T366 D369 L370 P415 M470 V471W330-F364 AromaticContact CD1-CD1 3.85Å; T335-F364 HydrophobicContact CG2-CE1 3.73Å; T335-F364 HydrophobicContact CG2-CZ 4.35Å; F337-F364 AromaticContact CD2-CE2 3.71Å; F337-F364 HydrophobicContact CD2-CE2 3.71Å; F337-F364 AromaticContact CD2-CZ 3.6Å; F337-F364 HydrophobicContact CD2-CZ 3.6Å; F337-F364 AromaticContact CE2-CE2 3.9Å; F337-F364 HydrophobicContact CE2-CE2 3.9Å; F337-F364 AromaticContact CE2-CZ 3.88Å; F337-F364 HydrophobicContact CE2-CZ 3.88Å; F337-F364 HydrophobicContact CG-CE2 4.12Å; F337-F364 HydrophobicContact CG-CZ 4.35Å; F337-F364 HydrophobicContact CZ-CE2 4.45Å; I340-F364 HydrophobicContact CD1-CB 3.94Å; I340-F364 HydrophobicContact CD1-CD2 4.27Å; I340-F364 HydrophobicContact CD1-CG 4.12Å; I340-F364 HydrophobicContact CG1-CB 4.42Å; I340-F364 HydrophobicContact CG1-CD2 3.98Å; I340-F364 HydrophobicContact CG1-CE2 4.36Å; I340-F364 HydrophobicContact CG1-CG 4.05Å; I340-F364 HydrophobicContact CG2-CD1 4.13Å; I340-F364 HydrophobicContact CG2-CE1 4.43Å; I340-F364 HydrophobicContact CG2-CG 4.43Å; A360-F364 WeakPolarHBondContact O-CB 3.42Å; A360-F364 PolarHBondContact O-N 3.41Å; V361-F364 PolarHBondContact O-N 2.94Å; F364-T366 PolarHBondContact O-N 3.32Å; F364-D369 HydrophobicContact CD1-CB 4.49Å; F364-D369 HydrophobicContact CD2-CB 3.65Å; F364-D369 VanDerWaalsContact CD2-OD2 3.28Å; F364-D369 WeakPolarHBondContact CD2-OD2 3.33Å; F364-D369 HydrophobicContact CE2-CB 3.78Å; F364-D369 HydrophobicContact CG-CB 4.05Å; F364-D369 HydrophobicContact CZ-CB 4.27Å; F364-D369 WeakPolarHBondContact O-CB 3.48Å; F364-D369 PolarHBondContact O-N 2.95Å; F364-D369 VanDerWaalsContact O-N 3.15Å; F364-L370 HydrophobicContact CD1-CD1 3.95Å; F364-L370 HydrophobicContact CD1-CG 3.97Å; F364-L370 HydrophobicContact CE1-CD1 3.74Å; F364-L370 HydrophobicContact CE1-CD2 3.94Å; F364-L370 HydrophobicContact CE1-CG 3.77Å; F364-L370 HydrophobicContact CZ-CD2 4.32Å; F364-L370 PolarHBondContact O-N 3.09Å; F364-P415 HydrophobicContact CD2-CB 3.99Å; F364-P415 HydrophobicContact CD2-CG 4.05Å; F364-P415 HydrophobicContact CE2-CB 4.22Å; F364-P415 HydrophobicContact CE2-CG 4.07Å; F364-M470 HydrophobicContact CE1-SD 4.08Å; F364-M470 HydrophobicContact CZ-CG 4.4Å; F364-M470 HydrophobicContact CZ-SD 4.3Å; F364-V471 HydrophobicContact CZ-CG2 4.34Å
365L98.8Very high97.1Very high0 Ų014 Ų140%07%0.066CC..Iπ-helixtrans-63.2-40.7178.9-176.266.1000113.4L327 W330 V361 C363 L370 W371 V372 W397L327-L365 HydrophobicContact CD1-CD1 4.11Å; L327-L365 HydrophobicContact CD1-CD2 4.49Å; W330-L365 HydrophobicContact CB-CD1 4.23Å; W330-L365 HydrophobicContact CD2-CB 4.2Å; W330-L365 HydrophobicContact CD2-CD1 3.89Å; W330-L365 HydrophobicContact CD2-CD2 4.08Å; W330-L365 HydrophobicContact CD2-CG 4.28Å; W330-L365 HydrophobicContact CE3-CD1 4.08Å; W330-L365 HydrophobicContact CE3-CD2 3.9Å; W330-L365 HydrophobicContact CE3-CG 4.5Å; W330-L365 HydrophobicContact CG-CB 4.42Å; W330-L365 HydrophobicContact CG-CD1 3.94Å; W330-L365 HydrophobicContact CH2-CD2 3.87Å; W330-L365 HydrophobicContact CZ2-CB 4.27Å; W330-L365 HydrophobicContact CZ2-CD2 4.03Å; W330-L365 HydrophobicContact CZ3-CD2 3.79Å; V361-L365 PolarHBondContact O-N 2.95Å; C363-L365 PolarHBondContact O-N 2.96Å; L365-L370 HydrophobicContact CD1-CD1 4.12Å; L365-L370 WeakPolarHBondContact O-CB 3.39Å; L365-W371 PolarHBondContact O-N 3.18Å; L365-V372 HydrophobicContact CD1-CB 3.74Å; L365-V372 HydrophobicContact CD1-CG1 4.02Å; L365-V372 HydrophobicContact CD1-CG2 4.2Å; L365-V372 HydrophobicContact CG-CB 4.1Å; L365-V372 HydrophobicContact CG-CG1 4.43Å; L365-V372 PolarHBondContact O-N 3.45Å; L365-W397 HydrophobicContact CD2-CH2 3.86Å; L365-W397 HydrophobicContact CD2-CZ3 3.94Å
366T98.4Very high97.5Very high0 Ų012.9 Ų12.90%06%0.061CC..Iπ-helixtrans-98.4-115.6-170.664.50000111.5A362 C363 F364 G368 W371 W374 W397A362-T366 WeakPolarHBondContact O-CB 3.46Å; A362-T366 WeakPolarHBondContact O-CG2 3.37Å; A362-T366 PolarHBondContact O-N 3.49Å; A362-T366 VanDerWaalsContact O-N 3.1Å; A362-T366 PolarHBondContact O-OG1 3.43Å; C363-T366 PolarHBondContact O-N 2.84Å; F364-T366 PolarHBondContact O-N 3.32Å; T366-G368 PolarHBondContact O-N 3.16Å; T366-G368 VanDerWaalsContact O-N 3.12Å; T366-W371 VanDerWaalsContact O-CA 3.28Å; T366-W371 WeakPolarHBondContact O-CA 3.35Å; T366-W371 PolarHBondContact O-N 3.44Å; T366-W374 HydrophobicContact CG2-CB 3.96Å; T366-W397 HydrophobicContact CG2-CE3 4.28Å; T366-W397 HydrophobicContact CG2-CZ3 3.99Å
367R96.1Very high97.8Very high15 Ų1511.1 Ų11.16%0.0575%0.052CC..Iπ-helixtrans-67.5-7.7-173.765.8175.2-179.285.42.6115.8W320 W371 L400 F409 H411 C412 N480 M484W320-R367 HydrophobicContact CH2-CB 4.43Å; R367-W371 HydrophobicContact CB-CZ3 4.46Å; R367-L400 PolarHBondContact NE-O 3.38Å; R367-F409 PolarHBondContact NH1-O 2.97Å; R367-H411 PolarHBondContact NH1-O 2.89Å; R367-H411 PolarHBondContact NH2-O 3.15Å; R367-C412 PolarHBondContact NH1-SG 3.27Å; R367-N480 WeakPolarHBondContact O-CB 3.43Å; R367-M484 HydrophobicContact CB-CG 4.1Å; R367-M484 HydrophobicContact CB-SD 4.49Å
368G96.3Very high97.8Very high0 Ų011.6 Ų11.60%05%0.054CC..Iπ-helixtrans-83.8-66.3-179.400000111.5C363 T366 S477 N480C363-G368 WeakPolarHBondContact O-CA 3.45Å; C363-G368 PolarHBondContact O-N 3.05Å; T366-G368 PolarHBondContact O-N 3.16Å; T366-G368 VanDerWaalsContact O-N 3.12Å; G368-S477 WeakPolarHBondContact O-CA 3.18Å; G368-S477 WeakPolarHBondContact O-CB 3.37Å; G368-N480 PolarHBondContact O-ND2 3.21Å
369D98.3Very high97.8Very high7 Ų713.2 Ų13.24%0.0376%0.063CC..THydrogen-bonded Turntrans-127.7-55.3-164.3-63.9-97.4000113F364 V471 H473 N480F364-D369 HydrophobicContact CD1-CB 4.49Å; F364-D369 HydrophobicContact CD2-CB 3.65Å; F364-D369 VanDerWaalsContact CD2-OD2 3.28Å; F364-D369 WeakPolarHBondContact CD2-OD2 3.33Å; F364-D369 HydrophobicContact CE2-CB 3.78Å; F364-D369 HydrophobicContact CG-CB 4.05Å; F364-D369 HydrophobicContact CZ-CB 4.27Å; F364-D369 WeakPolarHBondContact O-CB 3.48Å; F364-D369 PolarHBondContact O-N 2.95Å; F364-D369 VanDerWaalsContact O-N 3.15Å; D369-V471 HydrophobicContact CB-CG2 4.26Å; D369-H473 IonicContact OD1-CE1 2.67Å; D369-H473 IonicContact OD1-CG 3.63Å; D369-H473 IonicContact OD1-ND1 2.76Å; D369-H473 PolarHBondContact OD1-ND1 2.8Å; D369-H473 IonicContact OD2-ND1 3.23Å; D369-N480 PolarHBondContact O-ND2 2.77Å
370L98.5Very high98Very high15 Ų1512.6 Ų12.68%0.0796%0.061CC..THydrogen-bonded Turntrans-91.3-15.5-168.4-53.6-176000115.5A326 W330 F364 L365 V372 M470 V471A326-L370 HydrophobicContact CB-CD1 4.31Å; W330-L370 HydrophobicContact CB-CD1 4.01Å; F364-L370 HydrophobicContact CD1-CD1 3.95Å; F364-L370 HydrophobicContact CD1-CG 3.97Å; F364-L370 HydrophobicContact CE1-CD1 3.74Å; F364-L370 HydrophobicContact CE1-CD2 3.94Å; F364-L370 HydrophobicContact CE1-CG 3.77Å; F364-L370 HydrophobicContact CZ-CD2 4.32Å; F364-L370 PolarHBondContact O-N 3.09Å; L365-L370 HydrophobicContact CD1-CD1 4.12Å; L365-L370 WeakPolarHBondContact O-CB 3.39Å; L370-V372 HydrophobicContact CB-CG2 4.14Å; L370-V372 PolarHBondContact O-N 2.91Å; L370-M470 HydrophobicContact CD1-CE 3.92Å; L370-M470 HydrophobicContact CD1-SD 4.16Å; L370-M470 HydrophobicContact CD2-CE 3.52Å; L370-M470 HydrophobicContact CD2-CG 4.25Å; L370-M470 HydrophobicContact CD2-SD 3.84Å; L370-M470 HydrophobicContact CG-CE 4.39Å; L370-V471 HydrophobicContact CD2-CG1 3.94Å; L370-V471 HydrophobicContact CD2-CG2 4.42Å
371W98.4Very high98Very high6 Ų612.8 Ų12.82%0.0236%0.061CC..  trans56.426.8-179.2-156.7-101.2000115.4I318 P319 W320 D321 L365 T366 R367 N480 R483 M484 I487I318-W371 HydrophobicContact CG2-CH2 4.43Å; I318-W371 HydrophobicContact CG2-CZ2 3.8Å; P319-W371 PolarHBondContact O-NE1 2.6Å; W320-W371 AromaticContact CE3-CD2 3.86Å; W320-W371 HydrophobicContact CE3-CD2 3.86Å; W320-W371 AromaticContact CE3-CE2 3.85Å; W320-W371 HydrophobicContact CE3-CE3 4.36Å; W320-W371 HydrophobicContact CE3-CG 4.04Å; W320-W371 HydrophobicContact CE3-CZ2 4.37Å; W320-W371 AromaticContact CE3-NE1 3.99Å; W320-W371 AromaticContact CZ3-CD2 3.82Å; W320-W371 HydrophobicContact CZ3-CD2 3.82Å; W320-W371 AromaticContact CZ3-CE2 3.99Å; W320-W371 AromaticContact CZ3-CE3 3.85Å; W320-W371 HydrophobicContact CZ3-CE3 3.85Å; W320-W371 HydrophobicContact CZ3-CG 4.39Å; W320-W371 HydrophobicContact CZ3-CH2 4.27Å; W320-W371 HydrophobicContact CZ3-CZ2 4.22Å; W320-W371 HydrophobicContact CZ3-CZ3 4.08Å; D321-W371 PolarHBondContact N-O 3.28Å; L365-W371 PolarHBondContact O-N 3.18Å; T366-W371 VanDerWaalsContact O-CA 3.28Å; T366-W371 WeakPolarHBondContact O-CA 3.35Å; T366-W371 PolarHBondContact O-N 3.44Å; R367-W371 HydrophobicContact CB-CZ3 4.46Å; W371-N480 HydrophobicContact CE3-CB 3.72Å; W371-N480 HydrophobicContact CZ3-CB 3.86Å; W371-N480 WeakPolarHBondContact CZ3-O 3.14Å; W371-R483 HydrophobicContact CH2-CB 3.42Å; W371-R483 VanDerWaalsContact CH2-CB 3.42Å; W371-R483 HydrophobicContact CH2-CG 4.46Å; W371-R483 HydrophobicContact CZ2-CB 3.7Å; W371-R483 HydrophobicContact CZ2-CG 4.42Å; W371-R483 HydrophobicContact CZ3-CB 3.94Å; W371-M484 HydrophobicContact CH2-CB 4.5Å; W371-M484 HydrophobicContact CH2-CG 3.66Å; W371-M484 HydrophobicContact CH2-SD 3.44Å; W371-M484 WeakPolarHBondContact CH2-SD 3.42Å; W371-M484 HydrophobicContact CZ2-SD 4.38Å; W371-M484 HydrophobicContact CZ3-CG 3.77Å; W371-M484 HydrophobicContact CZ3-SD 3.97Å; W371-I487 HydrophobicContact CH2-CD1 4.06Å; W371-I487 HydrophobicContact CZ2-CD1 3.79Å
372V98.6Very high97.8Very high4 Ų416 Ų162%0.0248%0.076CC..  trans-85.9151.9176.8177.40000110.2N323 L327 L365 L370 E376N323-V372 HydrophobicContact CB-CG2 4.37Å; L327-V372 HydrophobicContact CD1-CG1 4.41Å; L365-V372 HydrophobicContact CD1-CB 3.74Å; L365-V372 HydrophobicContact CD1-CG1 4.02Å; L365-V372 HydrophobicContact CD1-CG2 4.2Å; L365-V372 HydrophobicContact CG-CB 4.1Å; L365-V372 HydrophobicContact CG-CG1 4.43Å; L365-V372 PolarHBondContact O-N 3.45Å; L370-V372 HydrophobicContact CB-CG2 4.14Å; L370-V372 PolarHBondContact O-N 2.91Å; V372-E376 HydrophobicContact CG1-CB 4.1Å; V372-E376 HydrophobicContact CG1-CG 4.14Å
373S98.6Very high97.7Very high11 Ų1118.6 Ų18.68%0.0779%0.088CC..  trans-60.2141.4179.6-173.70000112.4W320 E375 E376W320-S373 VanDerWaalsContact CG-CA 3.49Å; S373-E375 PolarHBondContact O-N 3.22Å; S373-E375 PolarHBondContact OG-N 3.44Å; S373-E375 PolarHBondContact OG-OE2 3.23Å; S373-E376 PolarHBondContact O-N 2.96Å; S373-E376 VanDerWaalsContact O-N 3.16Å
374W98.4Very high97.7Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-61.1-24.4172.864-97.4000112.4K308 M309 W320 T366 E376 G377 M378 W397 M398 S403K308-W374 WeakPolarHBondContact O-CH2 3.34Å; K308-W374 WeakPolarHBondContact O-CZ2 3.32Å; M309-W374 HydrophobicContact CB-CZ2 4.22Å; W320-W374 AromaticContact NE1-CD1 3.63Å; T366-W374 HydrophobicContact CG2-CB 3.96Å; W374-E376 VanDerWaalsContact C-N 3.3Å; W374-E376 PolarHBondContact O-N 2.59Å; W374-G377 PolarHBondContact O-N 2.95Å; W374-M378 HydrophobicContact CZ3-SD 4.08Å; W374-M378 WeakPolarHBondContact O-CB 3.49Å; W374-M378 PolarHBondContact O-N 3.44Å; W374-W397 HydrophobicContact CB-CB 4.23Å; W374-W397 HydrophobicContact CB-CE3 4.03Å; W374-W397 HydrophobicContact CE3-CB 3.86Å; W374-M398 HydrophobicContact CD2-CG 4.08Å; W374-M398 HydrophobicContact CE3-CG 4.13Å; W374-M398 HydrophobicContact CH2-CG 3.55Å; W374-M398 HydrophobicContact CH2-SD 4.05Å; W374-M398 HydrophobicContact CZ2-CG 3.49Å; W374-M398 VanDerWaalsContact CZ2-CG 3.49Å; W374-M398 HydrophobicContact CZ2-SD 4.08Å; W374-M398 HydrophobicContact CZ3-CG 3.89Å; W374-S403 PolarHBondContact NE1-OG 2.83Å
375E98.4Very high97.6Very high37 Ų3719 Ų1917%0.1739%0.09CC..Hα-helixtrans-62.1-36.3175.3-62.8161113.500111.8K308 M309 S373 M378 K379K308-E375 WeakPolarHBondContact CA-OE1 3.46Å; M309-E375 PolarHBondContact N-OE1 2.56Å; S373-E375 PolarHBondContact O-N 3.22Å; S373-E375 PolarHBondContact OG-N 3.44Å; S373-E375 PolarHBondContact OG-OE2 3.23Å; E375-M378 WeakPolarHBondContact O-CB 3.32Å; E375-M378 PolarHBondContact O-N 2.63Å; E375-K379 WeakPolarHBondContact O-CG 3.42Å; E375-K379 PolarHBondContact O-N 3.33Å; E375-K379 VanDerWaalsContact O-N 3.14Å
376E98.4Very high97.6Very high60 Ų6019.1 Ų19.128%0.289%0.091SC..Hα-helixtrans-73.8-39.4178.3-57.8-54.1149.300111.5L327 V372 S373 W374 M378 K379 V380L327-E376 HydrophobicContact CD1-CB 3.75Å; L327-E376 HydrophobicContact CD2-CB 3.73Å; L327-E376 HydrophobicContact CD2-CG 3.97Å; L327-E376 HydrophobicContact CG-CB 4.4Å; V372-E376 HydrophobicContact CG1-CB 4.1Å; V372-E376 HydrophobicContact CG1-CG 4.14Å; S373-E376 PolarHBondContact O-N 2.96Å; S373-E376 VanDerWaalsContact O-N 3.16Å; W374-E376 VanDerWaalsContact C-N 3.3Å; W374-E376 PolarHBondContact O-N 2.59Å; E376-M378 VanDerWaalsContact C-N 3.3Å; E376-M378 PolarHBondContact O-N 2.99Å; E376-K379 PolarHBondContact O-N 2.95Å; E376-K379 IonicContact OE1-NZ 3.66Å; E376-K379 PolarHBondContact OE1-NZ 3.21Å; E376-K379 WeakPolarHBondContact OE2-CD 3.42Å; E376-K379 WeakPolarHBondContact OE2-CE 3.24Å; E376-K379 IonicContact OE2-NZ 2.77Å; E376-K379 PolarHBondContact OE2-NZ 3.22Å; E376-V380 PolarHBondContact O-N 3Å
377G98.1Very high97.5Very high0 Ų019.8 Ų19.80%09%0.094CC..Hα-helixtrans-62.6-38.7171.900000112.6W374 V380 F381 W397W374-G377 PolarHBondContact O-N 2.95Å; G377-V380 PolarHBondContact O-N 3.34Å; G377-F381 PolarHBondContact O-N 2.88Å; G377-W397 VanDerWaalsContact CA-CH2 3.48Å; G377-W397 VanDerWaalsContact O-CZ2 3.29Å; G377-W397 WeakPolarHBondContact O-CZ2 3.33Å
378M97.5Very high97.3Very high10 Ų1019.3 Ų19.35%0.0499%0.094CC..Hα-helixtrans-60.3-44.8174.6-176.4-16373.800111.7D307 W374 E375 E376 F381 E382 N393 A394 W397D307-M378 HydrophobicContact CB-CE 3.89Å; D307-M378 HydrophobicContact CB-SD 3.86Å; D307-M378 WeakPolarHBondContact O-CE 3.29Å; W374-M378 HydrophobicContact CZ3-SD 4.08Å; W374-M378 WeakPolarHBondContact O-CB 3.49Å; W374-M378 PolarHBondContact O-N 3.44Å; E375-M378 WeakPolarHBondContact O-CB 3.32Å; E375-M378 PolarHBondContact O-N 2.63Å; E376-M378 VanDerWaalsContact C-N 3.3Å; E376-M378 PolarHBondContact O-N 2.99Å; M378-F381 CarbonylContact O-C 3.38Å; M378-F381 PolarHBondContact O-N 3.24Å; M378-E382 WeakPolarHBondContact O-CB 3.44Å; M378-E382 PolarHBondContact O-N 3.17Å; M378-N393 HydrophobicContact CG-CB 4.42Å; M378-N393 VanDerWaalsContact CG-ND2 3.33Å; M378-N393 WeakPolarHBondContact CG-ND2 3.3Å; M378-N393 PolarHBondContact O-ND2 3.21Å; M378-A394 HydrophobicContact SD-CB 3.7Å; M378-W397 HydrophobicContact CB-CB 4.43Å; M378-W397 HydrophobicContact CB-CG 4.03Å
379K96.8Very high97.2Very high79 Ų7919.5 Ų19.534%0.34310%0.095SC..Hα-helixtrans-60.2-45.8176.5-67.5167.6-156.8169.60112.4E375 E376 F381 E382 E383E375-K379 WeakPolarHBondContact O-CG 3.42Å; E375-K379 PolarHBondContact O-N 3.33Å; E375-K379 VanDerWaalsContact O-N 3.14Å; E376-K379 PolarHBondContact O-N 2.95Å; E376-K379 IonicContact OE1-NZ 3.66Å; E376-K379 PolarHBondContact OE1-NZ 3.21Å; E376-K379 WeakPolarHBondContact OE2-CD 3.42Å; E376-K379 WeakPolarHBondContact OE2-CE 3.24Å; E376-K379 IonicContact OE2-NZ 2.77Å; E376-K379 PolarHBondContact OE2-NZ 3.22Å; K379-F381 VanDerWaalsContact C-N 3.31Å; K379-F381 PolarHBondContact O-N 3.1Å; K379-E382 WeakPolarHBondContact O-CB 3.09Å; K379-E382 PolarHBondContact O-N 2.96Å; K379-E382 VanDerWaalsContact O-N 3.14Å; K379-E383 PolarHBondContact O-N 3.03Å
380V97.9Very high97.1Very high14 Ų1421.6 Ų21.69%0.08510%0.102CC..Hα-helixtrans-65.3-36.3177.7175.60000111.4W330 A331 M344 E376 G377 E383 L384W330-V380 HydrophobicContact CH2-CB 4.38Å; W330-V380 HydrophobicContact CH2-CG1 4.35Å; W330-V380 HydrophobicContact CZ3-CB 3.77Å; W330-V380 HydrophobicContact CZ3-CG1 3.8Å; W330-V380 HydrophobicContact CZ3-CG2 3.96Å; A331-V380 HydrophobicContact CB-CG1 4.08Å; A331-V380 HydrophobicContact CB-CG2 3.91Å; M344-V380 HydrophobicContact CE-CG1 4.01Å; E376-V380 PolarHBondContact O-N 3Å; G377-V380 PolarHBondContact O-N 3.34Å; V380-E383 PolarHBondContact O-N 3.48Å; V380-L384 HydrophobicContact CG1-CD1 4.03Å; V380-L384 WeakPolarHBondContact O-CG 3.42Å; V380-L384 PolarHBondContact O-N 2.86Å; V380-L384 VanDerWaalsContact O-N 3.13Å
381F97.9Very high97Very high6 Ų620.9 Ų20.93%0.02610%0.098CC..Hα-helixtrans-69.9-35172.6-88.434.6000111.8W330 L347 I353 R358 V361 G377 M378 K379 L384 L385 N393 W397W330-F381 HydrophobicContact CH2-CD1 4.19Å; W330-F381 AromaticContact CH2-CE1 3.95Å; W330-F381 HydrophobicContact CH2-CE1 3.95Å; W330-F381 HydrophobicContact CZ2-CE1 4.22Å; L347-F381 HydrophobicContact CD2-CD1 3.66Å; L347-F381 HydrophobicContact CD2-CE1 3.48Å; L347-F381 VanDerWaalsContact CD2-CE1 3.48Å; L347-F381 HydrophobicContact CD2-CZ 4.25Å; I353-F381 HydrophobicContact CD1-CZ 3.93Å; R358-F381 HydrophobicContact CB-CE2 3.97Å; R358-F381 HydrophobicContact CB-CZ 4.27Å; R358-F381 HydrophobicContact CG-CE2 3.84Å; R358-F381 HydrophobicContact CG-CZ 4.24Å; V361-F381 HydrophobicContact CG2-CE1 4.07Å; V361-F381 HydrophobicContact CG2-CZ 3.73Å; G377-F381 PolarHBondContact O-N 2.88Å; M378-F381 CarbonylContact O-C 3.38Å; M378-F381 PolarHBondContact O-N 3.24Å; K379-F381 VanDerWaalsContact C-N 3.31Å; K379-F381 PolarHBondContact O-N 3.1Å; F381-L384 PolarHBondContact O-N 2.99Å; F381-L385 HydrophobicContact CD2-CD2 3.78Å; F381-L385 HydrophobicContact CE2-CD2 4.37Å; F381-L385 HydrophobicContact CG-CD2 4.38Å; F381-L385 WeakPolarHBondContact O-CA 3.26Å; F381-L385 WeakPolarHBondContact O-CB 3.28Å; F381-L385 PolarHBondContact O-N 3.48Å; F381-N393 WeakPolarHBondContact CB-OD1 3.44Å; F381-W397 AromaticContact CD1-CZ2 3.75Å; F381-W397 HydrophobicContact CD1-CZ2 3.75Å; F381-W397 AromaticContact CD2-CE2 3.99Å; F381-W397 HydrophobicContact CD2-CZ2 4.03Å; F381-W397 AromaticContact CD2-NE1 3.41Å; F381-W397 AromaticContact CE1-CZ2 3.76Å; F381-W397 HydrophobicContact CE1-CZ2 3.76Å; F381-W397 HydrophobicContact CE2-CZ2 4.03Å; F381-W397 AromaticContact CG-CZ2 3.89Å; F381-W397 HydrophobicContact CG-CZ2 3.89Å; F381-W397 AromaticContact CG-NE1 3.56Å; F381-W397 AromaticContact CZ-CZ2 3.9Å; F381-W397 HydrophobicContact CZ-CZ2 3.9Å
382E95.3Very high97Very high68 Ų6821.9 Ų21.932%0.31811%0.105SC..Hα-helixtrans-63.8-42.5173.3-175169.9-158.200111.2R51 M378 K379R51-E382 WeakPolarHBondContact CD-O 3.39Å; R51-E382 VanDerWaalsContact NH1-CG 3.33Å; R51-E382 PolarHBondContact NH1-O 2.9Å; M378-E382 WeakPolarHBondContact O-CB 3.44Å; M378-E382 PolarHBondContact O-N 3.17Å; K379-E382 WeakPolarHBondContact O-CB 3.09Å; K379-E382 PolarHBondContact O-N 2.96Å; K379-E382 VanDerWaalsContact O-N 3.14Å
383E95Very high96.9Very high55 Ų5522.1 Ų22.126%0.25711%0.106SC..Hα-helixtrans-57.3-51.3175-176-163.1134.500111.9N46 G48 R348 K379 V380N46-E383 WeakPolarHBondContact O-CA 3.22Å; N46-E383 WeakPolarHBondContact O-CB 3.49Å; G48-E383 WeakPolarHBondContact CA-O 3.23Å; G48-E383 PolarHBondContact N-O 3.14Å; R348-E383 IonicContact CZ-OE1 3.85Å; R348-E383 IonicContact NH1-OE1 2.85Å; R348-E383 PolarHBondContact NH1-OE1 2.92Å; K379-E383 PolarHBondContact O-N 3.03Å; V380-E383 PolarHBondContact O-N 3.48Å
384L96.8Very high96.9Very high10 Ų1021.6 Ų21.65%0.05210%0.102CC..Hα-helixtrans-99.5-32.4-164.1-58.9178.3000114.7L347 R348 G351 V380 F381L347-L384 HydrophobicContact CD1-CB 3.88Å; L347-L384 HydrophobicContact CD2-CB 4.31Å; L347-L384 HydrophobicContact CD2-CD1 4.24Å; L347-L384 HydrophobicContact CG-CB 3.73Å; L347-L384 HydrophobicContact CG-CD1 3.98Å; R348-L384 HydrophobicContact CB-CD1 4.09Å; R348-L384 HydrophobicContact CB-CD2 4.46Å; R348-L384 HydrophobicContact CG-CD1 4.41Å; R348-L384 HydrophobicContact CG-CD2 4.12Å; G351-L384 VanDerWaalsContact CA-O 3.24Å; G351-L384 WeakPolarHBondContact CA-O 3.23Å; V380-L384 HydrophobicContact CG1-CD1 4.03Å; V380-L384 WeakPolarHBondContact O-CG 3.42Å; V380-L384 PolarHBondContact O-N 2.86Å; V380-L384 VanDerWaalsContact O-N 3.13Å; F381-L384 PolarHBondContact O-N 2.99Å
385L97.8Very high96.8Very high2 Ų221.6 Ų21.61%0.0110%0.102CC..  trans-88.2121-164.4-166.368.4000112L347 I353 F381 D387 A388L347-L385 HydrophobicContact CD1-CB 4Å; L347-L385 HydrophobicContact CD1-CD1 3.51Å; L347-L385 HydrophobicContact CD1-CG 4.36Å; I353-L385 HydrophobicContact CG1-CD1 4.39Å; F381-L385 HydrophobicContact CD2-CD2 3.78Å; F381-L385 HydrophobicContact CE2-CD2 4.37Å; F381-L385 HydrophobicContact CG-CD2 4.38Å; F381-L385 WeakPolarHBondContact O-CA 3.26Å; F381-L385 WeakPolarHBondContact O-CB 3.28Å; F381-L385 PolarHBondContact O-N 3.48Å; L385-D387 VanDerWaalsContact C-N 3.31Å; L385-D387 WeakPolarHBondContact CD2-OD1 3.37Å; L385-D387 WeakPolarHBondContact CG-OD1 3.43Å; L385-D387 PolarHBondContact O-N 3Å; L385-A388 HydrophobicContact CB-CB 3.91Å; L385-A388 HydrophobicContact CD2-CB 3.97Å; L385-A388 HydrophobicContact CG-CB 4.24Å; L385-A388 PolarHBondContact O-N 2.72Å
386L98Very high96.7Very high3 Ų321.4 Ų21.42%0.01611%0.105CC..THydrogen-bonded Turntrans-63.4-34.5-178.5-66.9174000113.2N50 R51 F54 W210 P253 R256 F257 G351N50-L386 HydrophobicContact CB-CD2 4.35Å; N50-L386 WeakPolarHBondContact O-CD2 3.24Å; R51-L386 HydrophobicContact CG-CD2 4.16Å; F54-L386 HydrophobicContact CB-CD2 3.76Å; F54-L386 HydrophobicContact CD2-CD1 4.25Å; F54-L386 HydrophobicContact CD2-CD2 4.38Å; F54-L386 HydrophobicContact CG-CD2 4.2Å; W210-L386 HydrophobicContact CB-CD1 3.65Å; W210-L386 HydrophobicContact CG-CD1 3.82Å; P253-L386 HydrophobicContact CB-CB 4Å; P253-L386 HydrophobicContact CG-CB 3.95Å; P253-L386 HydrophobicContact CG-CD1 4.36Å; R256-L386 WeakPolarHBondContact CD-O 3.34Å; R256-L386 PolarHBondContact NH1-O 3.27Å; R256-L386 VanDerWaalsContact NH1-O 3.1Å; F257-L386 WeakPolarHBondContact CE2-O 3.39Å; G351-L386 WeakPolarHBondContact O-CB 3.15Å; G351-L386 WeakPolarHBondContact O-CG 3.5Å; G351-L386 PolarHBondContact O-N 2.75Å
387D96.8Very high96.7Very high14 Ų1418.7 Ų18.78%0.0759%0.093CC..THydrogen-bonded Turntrans-100.315.7-177.867.717.3000114.5S252 R256 W352 R358 L385 D389S252-D387 WeakPolarHBondContact CB-OD2 3.31Å; S252-D387 PolarHBondContact OG-OD2 3.06Å; R256-D387 HydrophobicContact CB-CB 4.37Å; W352-D387 VanDerWaalsContact CD1-OD2 3.23Å; W352-D387 PolarHBondContact NE1-OD2 3.39Å; R358-D387 IonicContact CZ-OD1 2.83Å; R358-D387 IonicContact CZ-OD2 2.72Å; R358-D387 IonicContact NH1-OD1 3.98Å; R358-D387 PolarHBondContact NH1-OD1 3.5Å; R358-D387 IonicContact NH1-OD2 3.55Å; R358-D387 VanDerWaalsContact NH2-CG 3.26Å; R358-D387 IonicContact NH2-OD1 3.78Å; R358-D387 PolarHBondContact NH2-OD1 3.43Å; R358-D387 IonicContact NH2-OD2 3.75Å; R358-D387 PolarHBondContact NH2-OD2 3.15Å; L385-D387 VanDerWaalsContact C-N 3.31Å; L385-D387 WeakPolarHBondContact CD2-OD1 3.37Å; L385-D387 WeakPolarHBondContact CG-OD1 3.43Å; L385-D387 PolarHBondContact O-N 3Å; D387-D389 PolarHBondContact O-N 3.19Å
388A92.6Very high96.7Very high5 Ų518.7 Ų18.74%0.0419%0.093CC..  trans-80.296.3168.800000111.4R256 L385 N393R256-A388 PolarHBondContact NH2-O 2.85Å; L385-A388 HydrophobicContact CB-CB 3.91Å; L385-A388 HydrophobicContact CD2-CB 3.97Å; L385-A388 HydrophobicContact CG-CB 4.24Å; L385-A388 PolarHBondContact O-N 2.72Å; A388-N393 HydrophobicContact CB-CB 4.06Å
389D92.1Very high96.6Very high4 Ų421.1 Ų21.12%0.02110%0.101CC..  trans-76.2149.2153-75-54.6000110R256 Y297 D387 S391 V392 N393R256-D389 WeakPolarHBondContact CG-OD1 3.21Å; R256-D389 WeakPolarHBondContact CG-OD2 3.33Å; R256-D389 IonicContact NE-OD1 3.6Å; R256-D389 PolarHBondContact NE-OD1 2.98Å; Y297-D389 WeakPolarHBondContact OH-CB 3.41Å; Y297-D389 PolarHBondContact OH-OD1 3.13Å; Y297-D389 PolarHBondContact OH-OD2 3.06Å; D387-D389 PolarHBondContact O-N 3.19Å; D389-S391 VanDerWaalsContact C-N 3.34Å; D389-S391 PolarHBondContact O-N 2.95Å; D389-V392 HydrophobicContact CB-CB 4.26Å; D389-V392 HydrophobicContact CB-CG2 4.11Å; D389-V392 PolarHBondContact O-N 3.43Å; D389-N393 WeakPolarHBondContact O-CB 3.34Å; D389-N393 PolarHBondContact O-N 2.98Å
390W96.3Very high96.5Very high50 Ų5018.3 Ų18.319%0.1899%0.09CC..Hα-helixtrans-54.2-49.7-179.3175.191.1000111.4E103 P104 A300 F306 D307 V392 N393 A394E103-W390 HydrophobicContact CB-CE3 4.29Å; E103-W390 PolarHBondContact OE1-N 3.35Å; P104-W390 HydrophobicContact CG-CH2 3.76Å; P104-W390 HydrophobicContact CG-CZ3 3.88Å; A300-W390 HydrophobicContact CB-CE3 4.39Å; A300-W390 HydrophobicContact CB-CZ3 3.74Å; F306-W390 HydrophobicContact CB-CH2 3.59Å; F306-W390 HydrophobicContact CB-CZ2 4.18Å; F306-W390 HydrophobicContact CB-CZ3 4.16Å; D307-W390 HydrophobicContact CB-CZ2 3.79Å; D307-W390 VanDerWaalsContact CB-NE1 3.27Å; D307-W390 PolarHBondContact OD2-NE1 3Å; W390-V392 PolarHBondContact O-N 2.84Å; W390-N393 PolarHBondContact O-N 3.19Å; W390-A394 WeakPolarHBondContact O-CB 3.45Å; W390-A394 PolarHBondContact O-N 3.27Å
391S97.6Very high96.4Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-59.8-45.3178-520000112.6E103 Y297 F306 D389 G395E103-S391 WeakPolarHBondContact CG-OG 3.39Å; E103-S391 WeakPolarHBondContact OE1-CB 3.34Å; E103-S391 PolarHBondContact OE1-N 3.5Å; E103-S391 PolarHBondContact OE1-OG 3.36Å; Y297-S391 WeakPolarHBondContact CD1-OG 3.12Å; F306-S391 WeakPolarHBondContact CE1-O 3.47Å; D389-S391 VanDerWaalsContact C-N 3.34Å; D389-S391 PolarHBondContact O-N 2.95Å; S391-G395 PolarHBondContact O-N 3.46Å; S391-G395 VanDerWaalsContact O-N 3.09Å
392V97.4Very high96.2Very high27 Ų2717.4 Ų17.416%0.1649%0.085CC..Hα-helixtrans-75.4-38-174.3-179.80000110.9R293 F296 Y297 D389 W390 S396R293-V392 HydrophobicContact CG-CG2 4.1Å; F296-V392 HydrophobicContact CB-CG2 4.46Å; F296-V392 HydrophobicContact CD2-CG1 4.34Å; Y297-V392 HydrophobicContact CE2-CG2 4.23Å; D389-V392 HydrophobicContact CB-CB 4.26Å; D389-V392 HydrophobicContact CB-CG2 4.11Å; D389-V392 PolarHBondContact O-N 3.43Å; W390-V392 PolarHBondContact O-N 2.84Å; V392-S396 WeakPolarHBondContact O-CB 3.08Å; V392-S396 PolarHBondContact O-N 3.04Å; V392-S396 PolarHBondContact O-OG 3.4Å
393N97.7Very high96.1Very high9 Ų914.1 Ų14.15%0.0487%0.07CC..Hα-helixtrans-66.7-57.2179.4-166.427.8000110.3M378 F381 A388 D389 W390 G395 S396 W397M378-N393 HydrophobicContact CG-CB 4.42Å; M378-N393 VanDerWaalsContact CG-ND2 3.33Å; M378-N393 WeakPolarHBondContact CG-ND2 3.3Å; M378-N393 PolarHBondContact O-ND2 3.21Å; F381-N393 WeakPolarHBondContact CB-OD1 3.44Å; A388-N393 HydrophobicContact CB-CB 4.06Å; D389-N393 WeakPolarHBondContact O-CB 3.34Å; D389-N393 PolarHBondContact O-N 2.98Å; W390-N393 PolarHBondContact O-N 3.19Å; N393-G395 VanDerWaalsContact C-N 3.34Å; N393-G395 PolarHBondContact O-N 3.06Å; N393-S396 PolarHBondContact O-N 3.48Å; N393-W397 VanDerWaalsContact O-CD1 3.27Å; N393-W397 PolarHBondContact O-N 3.31Å; N393-W397 PolarHBondContact OD1-NE1 2.79Å
394A97.9Very high95.9Very high0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-56.5-46.3177.400000112.2F306 D307 M378 W390 S396 W397 M398F306-A394 HydrophobicContact CD1-CB 3.69Å; F306-A394 HydrophobicContact CE1-CB 4.04Å; D307-A394 HydrophobicContact CB-CB 4.17Å; M378-A394 HydrophobicContact SD-CB 3.7Å; W390-A394 WeakPolarHBondContact O-CB 3.45Å; W390-A394 PolarHBondContact O-N 3.27Å; A394-S396 PolarHBondContact O-N 2.97Å; A394-W397 PolarHBondContact O-N 3.29Å; A394-M398 PolarHBondContact O-N 3.41Å
395G97.3Very high95.4Very high0 Ų013.5 Ų13.50%07%0.067CC..Hα-helixtrans-62.1-40.8178.800000113.3F296 S391 N393 W399F296-G395 WeakPolarHBondContact CE1-O 3.49Å; S391-G395 PolarHBondContact O-N 3.46Å; S391-G395 VanDerWaalsContact O-N 3.09Å; N393-G395 VanDerWaalsContact C-N 3.34Å; N393-G395 PolarHBondContact O-N 3.06Å; G395-W399 VanDerWaalsContact O-CB 3.29Å; G395-W399 WeakPolarHBondContact O-CB 3.41Å; G395-W399 PolarHBondContact O-N 3.19Å; G395-W399 VanDerWaalsContact O-N 3.09Å
396S96.5Very high94.3Very high34 Ų3416.1 Ų16.124%0.2388%0.079CC..Hα-helixtrans-68.4-41.4176.1-610000112.1V392 N393 A394 W399 L400V392-S396 WeakPolarHBondContact O-CB 3.08Å; V392-S396 PolarHBondContact O-N 3.04Å; V392-S396 PolarHBondContact O-OG 3.4Å; N393-S396 PolarHBondContact O-N 3.48Å; A394-S396 PolarHBondContact O-N 2.97Å; S396-W399 PolarHBondContact O-N 3.44Å; S396-L400 WeakPolarHBondContact O-CB 3.14Å; S396-L400 VanDerWaalsContact O-CG 3.25Å; S396-L400 WeakPolarHBondContact O-CG 3.36Å; S396-L400 PolarHBondContact O-N 2.88Å
397W98.2Very high92.6Very high3 Ų322 Ų221%0.01111%0.106CC..Hα-helixtrans-65.5-49178.8-87.4101.6000112W330 A362 L365 T366 W374 G377 M378 F381 N393 A394 W399 L400 S401W330-W397 AromaticContact CH2-CH2 3.75Å; W330-W397 HydrophobicContact CH2-CH2 3.75Å; W330-W397 AromaticContact CH2-CZ2 3.96Å; W330-W397 HydrophobicContact CH2-CZ2 3.96Å; W330-W397 AromaticContact CZ2-CH2 3.8Å; W330-W397 HydrophobicContact CZ2-CH2 3.8Å; W330-W397 HydrophobicContact CZ2-CZ2 4.3Å; A362-W397 HydrophobicContact CB-CE3 3.91Å; A362-W397 HydrophobicContact CB-CH2 3.61Å; A362-W397 HydrophobicContact CB-CZ2 4.22Å; A362-W397 HydrophobicContact CB-CZ3 3.43Å; A362-W397 VanDerWaalsContact CB-CZ3 3.43Å; L365-W397 HydrophobicContact CD2-CH2 3.86Å; L365-W397 HydrophobicContact CD2-CZ3 3.94Å; T366-W397 HydrophobicContact CG2-CE3 4.28Å; T366-W397 HydrophobicContact CG2-CZ3 3.99Å; W374-W397 HydrophobicContact CB-CB 4.23Å; W374-W397 HydrophobicContact CB-CE3 4.03Å; W374-W397 HydrophobicContact CE3-CB 3.86Å; G377-W397 VanDerWaalsContact CA-CH2 3.48Å; G377-W397 VanDerWaalsContact O-CZ2 3.29Å; G377-W397 WeakPolarHBondContact O-CZ2 3.33Å; M378-W397 HydrophobicContact CB-CB 4.43Å; M378-W397 HydrophobicContact CB-CG 4.03Å; F381-W397 AromaticContact CD1-CZ2 3.75Å; F381-W397 HydrophobicContact CD1-CZ2 3.75Å; F381-W397 AromaticContact CD2-CE2 3.99Å; F381-W397 HydrophobicContact CD2-CZ2 4.03Å; F381-W397 AromaticContact CD2-NE1 3.41Å; F381-W397 AromaticContact CE1-CZ2 3.76Å; F381-W397 HydrophobicContact CE1-CZ2 3.76Å; F381-W397 HydrophobicContact CE2-CZ2 4.03Å; F381-W397 AromaticContact CG-CZ2 3.89Å; F381-W397 HydrophobicContact CG-CZ2 3.89Å; F381-W397 AromaticContact CG-NE1 3.56Å; F381-W397 AromaticContact CZ-CZ2 3.9Å; F381-W397 HydrophobicContact CZ-CZ2 3.9Å; N393-W397 VanDerWaalsContact O-CD1 3.27Å; N393-W397 PolarHBondContact O-N 3.31Å; N393-W397 PolarHBondContact OD1-NE1 2.79Å; A394-W397 PolarHBondContact O-N 3.29Å; W397-W399 PolarHBondContact O-N 3.01Å; W397-L400 PolarHBondContact O-N 3.28Å; W397-S401 WeakPolarHBondContact O-CB 3.47Å; W397-S401 PolarHBondContact O-N 2.96Å; W397-S401 PolarHBondContact O-OG 3.31Å
398M97.3Very high91.3Very high0 Ų026.2 Ų26.20%013%0.125CC..Hα-helixtrans-56.9-36.8172.5-77-171.6-76.400112.9F306 N312 I314 C315 W374 A394 S401 C402 S403 S404 F405F306-M398 HydrophobicContact CD1-CE 3.75Å; F306-M398 HydrophobicContact CD2-CE 3.98Å; F306-M398 HydrophobicContact CE1-CE 3.59Å; F306-M398 HydrophobicContact CE2-CE 3.84Å; F306-M398 HydrophobicContact CG-CE 3.94Å; F306-M398 HydrophobicContact CZ-CE 3.64Å; F306-M398 WeakPolarHBondContact O-CE 3.41Å; N312-M398 PolarHBondContact ND2-SD 3Å; I314-M398 HydrophobicContact CD1-CE 4.22Å; I314-M398 HydrophobicContact CD1-SD 4.38Å; I314-M398 HydrophobicContact CG1-SD 4.5Å; C315-M398 HydrophobicContact CB-SD 4.17Å; W374-M398 HydrophobicContact CD2-CG 4.08Å; W374-M398 HydrophobicContact CE3-CG 4.13Å; W374-M398 HydrophobicContact CH2-CG 3.55Å; W374-M398 HydrophobicContact CH2-SD 4.05Å; W374-M398 HydrophobicContact CZ2-CG 3.49Å; W374-M398 VanDerWaalsContact CZ2-CG 3.49Å; W374-M398 HydrophobicContact CZ2-SD 4.08Å; W374-M398 HydrophobicContact CZ3-CG 3.89Å; A394-M398 PolarHBondContact O-N 3.41Å; M398-S401 PolarHBondContact O-OG 3.11Å; M398-C402 PolarHBondContact O-N 2.68Å; M398-S403 PolarHBondContact O-N 2.96Å; M398-S404 PolarHBondContact O-N 3.16Å; M398-F405 HydrophobicContact CE-CE2 4.23Å
399W95Very high90.3Very high60 Ų6026.5 Ų26.523%0.22713%0.126CC..Hα-helixtrans-68.4-46.6178179.455.1000112.3H359 G395 S396 W397 C402 S404 F405 F406H359-W399 AromaticContact CE1-CH2 3.85Å; H359-W399 AromaticContact CE1-CZ3 3.73Å; H359-W399 AromaticContact NE2-CZ3 3.62Å; G395-W399 VanDerWaalsContact O-CB 3.29Å; G395-W399 WeakPolarHBondContact O-CB 3.41Å; G395-W399 PolarHBondContact O-N 3.19Å; G395-W399 VanDerWaalsContact O-N 3.09Å; S396-W399 PolarHBondContact O-N 3.44Å; W397-W399 PolarHBondContact O-N 3.01Å; W399-C402 PolarHBondContact O-N 3.07Å; W399-S404 WeakPolarHBondContact CA-O 3.42Å; W399-F405 HydrophobicContact CB-CD2 4.37Å; W399-F406 AromaticContact NE1-CG 3.75Å
400L94.7Very high89.2Confident21 Ų2132.1 Ų32.111%0.1115%0.15CC..Hα-helixtrans-73.4-34.5-175.6-67.8171.3000113.1H359 A362 R367 S396 W397 C402H359-L400 HydrophobicContact CB-CD2 4.24Å; A362-L400 HydrophobicContact CB-CB 4.15Å; A362-L400 HydrophobicContact CB-CD1 3.92Å; R367-L400 PolarHBondContact NE-O 3.38Å; S396-L400 WeakPolarHBondContact O-CB 3.14Å; S396-L400 VanDerWaalsContact O-CG 3.25Å; S396-L400 WeakPolarHBondContact O-CG 3.36Å; S396-L400 PolarHBondContact O-N 2.88Å; W397-L400 PolarHBondContact O-N 3.28Å; L400-C402 PolarHBondContact O-N 2.94Å
401S95.4Very high88.3Confident0 Ų035.9 Ų35.90%017%0.17CC..THydrogen-bonded Turntrans-72-10.4173.366.30000113.8W397 M398 S403W397-S401 WeakPolarHBondContact O-CB 3.47Å; W397-S401 PolarHBondContact O-N 2.96Å; W397-S401 PolarHBondContact O-OG 3.31Å; M398-S401 PolarHBondContact O-OG 3.11Å; S401-S403 VanDerWaalsContact C-N 3.25Å; S401-S403 VanDerWaalsContact OG-CB 3.25Å; S401-S403 WeakPolarHBondContact OG-CB 3.4Å; S401-S403 PolarHBondContact OG-N 2.67Å; S401-S403 VanDerWaalsContact OG-N 3.17Å; S401-S403 PolarHBondContact OG-OG 2.88Å
402C94.1Very high87.7Confident0 Ų037.7 Ų37.70%018%0.182CC..THydrogen-bonded Turntrans58.934.4-165.7-58.90000112.9M398 W399 L400 F409 Y488M398-C402 PolarHBondContact O-N 2.68Å; W399-C402 PolarHBondContact O-N 3.07Å; L400-C402 PolarHBondContact O-N 2.94Å; C402-F409 HydrophobicContact CB-CB 4.18Å; C402-Y488 PolarHBondContact O-OH 3.07Å
403S93.4Very high87.3Confident0 Ų039.6 Ų39.60%019%0.187CC..SBendtrans-87.2-23.2170.1-57.50000112.6V316 W374 M398 S401V316-S403 WeakPolarHBondContact CG2-O 3.26Å; V316-S403 PolarHBondContact N-O 2.88Å; W374-S403 PolarHBondContact NE1-OG 2.83Å; M398-S403 PolarHBondContact O-N 2.96Å; S401-S403 VanDerWaalsContact C-N 3.25Å; S401-S403 VanDerWaalsContact OG-CB 3.25Å; S401-S403 WeakPolarHBondContact OG-CB 3.4Å; S401-S403 PolarHBondContact OG-N 2.67Å; S401-S403 VanDerWaalsContact OG-N 3.17Å; S401-S403 PolarHBondContact OG-OG 2.88Å
404S91.7Very high87.2Confident14 Ų1441 Ų4110%0.09820%0.197CC..SBendtrans-155.2174170-155.80000112.7I314 M398 W399 F406I314-S404 VanDerWaalsContact O-CB 3.27Å; I314-S404 WeakPolarHBondContact O-CB 3.4Å; I314-S404 PolarHBondContact O-OG 2.96Å; M398-S404 PolarHBondContact O-N 3.16Å; W399-S404 WeakPolarHBondContact CA-O 3.42Å; S404-F406 PolarHBondContact O-N 3.25Å
405F86.6Confident87.1Confident37 Ų3741.2 Ų41.216%0.16220%0.198CC..SBendtrans59.1-17.4176-48.2-66.1000117.9L148 F295 F296 A299 F306 I314 M398 W399L148-F405 HydrophobicContact CD2-CE1 4.23Å; F295-F405 AromaticContact CE1-CD1 3.89Å; F295-F405 HydrophobicContact CE1-CD1 3.89Å; F295-F405 HydrophobicContact CE1-CE1 4.09Å; F295-F405 HydrophobicContact CE1-CG 4.2Å; F295-F405 AromaticContact CZ-CD1 3.57Å; F295-F405 HydrophobicContact CZ-CD1 3.57Å; F295-F405 AromaticContact CZ-CE1 3.83Å; F295-F405 HydrophobicContact CZ-CE1 3.83Å; F295-F405 HydrophobicContact CZ-CG 4.26Å; F296-F405 HydrophobicContact CD1-CE2 4.32Å; F296-F405 HydrophobicContact CE1-CD2 4.08Å; F296-F405 HydrophobicContact CE1-CE2 4.03Å; A299-F405 HydrophobicContact CB-CE1 4.15Å; A299-F405 HydrophobicContact CB-CZ 3.97Å; F306-F405 AromaticContact CE2-CZ 3.91Å; F306-F405 HydrophobicContact CE2-CZ 3.91Å; F306-F405 HydrophobicContact CZ-CE2 4.13Å; F306-F405 AromaticContact CZ-CZ 3.83Å; F306-F405 HydrophobicContact CZ-CZ 3.83Å; I314-F405 HydrophobicContact CD1-CE1 3.99Å; I314-F405 HydrophobicContact CD1-CE2 4.13Å; I314-F405 HydrophobicContact CD1-CZ 3.45Å; I314-F405 VanDerWaalsContact CD1-CZ 3.45Å; M398-F405 HydrophobicContact CE-CE2 4.23Å; W399-F405 HydrophobicContact CB-CD2 4.37Å
406F73.9Confident87.1Confident58 Ų5842.1 Ų42.125%0.25420%0.204SC..  trans-153.4149.3-175.1-171.9-107.6000111W399 S404 Q408 Y488 M552W399-F406 AromaticContact NE1-CG 3.75Å; S404-F406 PolarHBondContact O-N 3.25Å; F406-Q408 HydrophobicContact CD1-CB 4.48Å; F406-Q408 HydrophobicContact CE1-CB 3.65Å; F406-Q408 HydrophobicContact CE1-CG 4.37Å; F406-Q408 HydrophobicContact CE2-CB 4.25Å; F406-Q408 HydrophobicContact CE2-CG 4.1Å; F406-Q408 HydrophobicContact CZ-CB 3.52Å; F406-Q408 HydrophobicContact CZ-CG 3.86Å; F406-Y488 PolarHBondContact O-OH 2.83Å; F406-M552 HydrophobicContact CZ-CE 4.37Å
407Q61.6Low87Confident127 Ų12741.2 Ų41.259%0.59320%0.2SC*.  trans-134.44.2-169.2-62179.9-1600113.6F409 Y488Q407-F409 VanDerWaalsContact C-N 3.35Å; Q407-F409 VanDerWaalsContact O-CD1 3.26Å; Q407-F409 WeakPolarHBondContact O-CD1 3.34Å; Q407-F409 PolarHBondContact O-N 2.96Å; Q407-F409 VanDerWaalsContact O-N 3.16Å; Q407-Y488 HydrophobicContact CB-CE1 4.35Å; Q407-Y488 HydrophobicContact CG-CE1 4.01Å
408Q70.4Confident86.8Confident102 Ų10242.3 Ų42.348%0.47721%0.205SC..  trans-90.868179.8-52-179.6-3400111.2F406 F410F406-Q408 HydrophobicContact CD1-CB 4.48Å; F406-Q408 HydrophobicContact CE1-CB 3.65Å; F406-Q408 HydrophobicContact CE1-CG 4.37Å; F406-Q408 HydrophobicContact CE2-CB 4.25Å; F406-Q408 HydrophobicContact CE2-CG 4.1Å; F406-Q408 HydrophobicContact CZ-CB 3.52Å; F406-Q408 HydrophobicContact CZ-CG 3.86Å; Q408-F410 PolarHBondContact O-N 3.32Å
409F71.6Confident86.6Confident10 Ų1042.3 Ų42.34%0.04421%0.205CC..THydrogen-bonded Turntrans-68.3-10.6-176.357.3-93.1000114.9R367 C402 Q407 H411 M484 K485 Y488R367-F409 PolarHBondContact NH1-O 2.97Å; C402-F409 HydrophobicContact CB-CB 4.18Å; Q407-F409 VanDerWaalsContact C-N 3.35Å; Q407-F409 VanDerWaalsContact O-CD1 3.26Å; Q407-F409 WeakPolarHBondContact O-CD1 3.34Å; Q407-F409 PolarHBondContact O-N 2.96Å; Q407-F409 VanDerWaalsContact O-N 3.16Å; F409-H411 VanDerWaalsContact C-N 3.27Å; F409-H411 PolarHBondContact O-N 3.42Å; F409-M484 HydrophobicContact CB-CB 4.18Å; F409-M484 HydrophobicContact CB-CG 4.27Å; F409-M484 HydrophobicContact CD1-CB 4.41Å; F409-M484 HydrophobicContact CD2-CB 3.44Å; F409-M484 VanDerWaalsContact CD2-CB 3.44Å; F409-M484 HydrophobicContact CD2-CG 4.35Å; F409-M484 HydrophobicContact CE2-CB 3.87Å; F409-M484 HydrophobicContact CG-CB 3.75Å; F409-M484 HydrophobicContact CG-CG 4.38Å; F409-K485 HydrophobicContact CE2-CB 3.91Å; F409-K485 HydrophobicContact CZ-CB 3.99Å; F409-Y488 AromaticContact CD1-CD2 3.36Å; F409-Y488 HydrophobicContact CD1-CD2 3.36Å; F409-Y488 AromaticContact CD1-CE2 3.49Å; F409-Y488 HydrophobicContact CD1-CE2 3.49Å; F409-Y488 VanDerWaalsContact CD1-CE2 3.49Å; F409-Y488 HydrophobicContact CD1-CG 4.36Å; F409-Y488 AromaticContact CE1-CD2 3.33Å; F409-Y488 HydrophobicContact CE1-CD2 3.33Å; F409-Y488 AromaticContact CE1-CE2 3.95Å; F409-Y488 HydrophobicContact CE1-CE2 3.95Å; F409-Y488 AromaticContact CE1-CG 3.97Å; F409-Y488 HydrophobicContact CE1-CG 3.97Å; F409-Y488 HydrophobicContact CG-CD2 4.37Å; F409-Y488 HydrophobicContact CG-CE2 4.4Å; F409-Y488 HydrophobicContact CZ-CD2 4.3Å
410F69.4Low86.6Confident123 Ų12343.7 Ų43.754%0.53921%0.21SC..THydrogen-bonded Turntrans-65.3-23.4-175.4-46.1-76.1000114.7Q408 C412Q408-F410 PolarHBondContact O-N 3.32Å; F410-C412 PolarHBondContact O-N 2.86Å
411H77.6Confident86.6Confident129 Ų12951.2 Ų51.260%0.59724%0.237SC*.  trans-93.291.2-178.3-63.795.5000110.3R367 F409R367-H411 PolarHBondContact NH1-O 2.89Å; R367-H411 PolarHBondContact NH2-O 3.15Å; F409-H411 VanDerWaalsContact C-N 3.27Å; F409-H411 PolarHBondContact O-N 3.42Å
412C84.7Confident86.4Confident38 Ų3852 Ų5226%0.25724%0.241SC..  trans-89.3140.7171.1-66.20000110.9R367 F410 C414R367-C412 PolarHBondContact NH1-SG 3.27Å; F410-C412 PolarHBondContact O-N 2.86Å; C412-C414 PolarHBondContact O-N 2.94Å
413Y89.2Confident86.4Confident67 Ų6752.2 Ų52.226%0.26324%0.242SC..  trans-81.5115.3176.9-72.6-90.7000110H359 C363 P415 F418H359-Y413 HydrophobicContact CB-CD2 4.41Å; H359-Y413 HydrophobicContact CB-CE2 3.8Å; H359-Y413 AromaticContact ND1-CZ 3.94Å; H359-Y413 PolarHBondContact ND1-OH 3.27Å; H359-Y413 VanDerWaalsContact ND1-OH 3.16Å; C363-Y413 HydrophobicContact CB-CD2 3.98Å; C363-Y413 PolarHBondContact SG-N 2.69Å; C363-Y413 VanDerWaalsContact SG-N 3.41Å; Y413-P415 WeakPolarHBondContact O-CD 3.42Å; Y413-F418 HydrophobicContact CD1-CD1 4.18Å; Y413-F418 AromaticContact CD1-CD2 3.79Å; Y413-F418 HydrophobicContact CD1-CD2 3.79Å; Y413-F418 HydrophobicContact CD1-CE1 4.26Å; Y413-F418 AromaticContact CD1-CE2 3.89Å; Y413-F418 HydrophobicContact CD1-CE2 3.89Å; Y413-F418 AromaticContact CD1-CG 3.96Å; Y413-F418 HydrophobicContact CD1-CG 3.96Å; Y413-F418 HydrophobicContact CD1-CZ 4.12Å; Y413-F418 HydrophobicContact CE1-CD2 4.19Å; Y413-F418 HydrophobicContact CE1-CE1 4.46Å; Y413-F418 AromaticContact CE1-CE2 3.82Å; Y413-F418 HydrophobicContact CE1-CE2 3.82Å; Y413-F418 AromaticContact CE1-CZ 3.97Å; Y413-F418 HydrophobicContact CE1-CZ 3.97Å
414C94.7Very high86.5Confident39 Ų3956.2 Ų56.226%0.26427%0.268SS..  trans-65.4119.2174.3-178.80000110.9C412 V416 G417 F418 H473C412-C414 PolarHBondContact O-N 2.94Å; C414-V416 PolarHBondContact O-N 3.22Å; C414-G417 PolarHBondContact O-N 2.93Å; C414-G417 PolarHBondContact SG-N 2.95Å; C414-G417 VanDerWaalsContact SG-N 3.39Å; C414-F418 WeakPolarHBondContact O-CB 3.24Å; C414-F418 PolarHBondContact O-N 3.27Å; C414-H473 WeakPolarHBondContact CA-NE2 3.49Å
415P95.8Very high86.7Confident4 Ų459.9 Ų59.93%0.02629%0.287CS..THydrogen-bonded Turntrans-67.2-19.5-174.427.4-34.7000113.1F337 W339 I340 F364 Y413 H473F337-P415 HydrophobicContact CB-CB 4.42Å; F337-P415 HydrophobicContact CD1-CB 3.91Å; F337-P415 HydrophobicContact CD1-CG 3.68Å; F337-P415 HydrophobicContact CE1-CG 3.8Å; F337-P415 HydrophobicContact CG-CB 4.31Å; F337-P415 HydrophobicContact CG-CG 4.37Å; W339-P415 WeakPolarHBondContact CB-O 3.39Å; I340-P415 HydrophobicContact CD1-CB 4.09Å; I340-P415 HydrophobicContact CG1-CB 3.82Å; F364-P415 HydrophobicContact CD2-CB 3.99Å; F364-P415 HydrophobicContact CD2-CG 4.05Å; F364-P415 HydrophobicContact CE2-CB 4.22Å; F364-P415 HydrophobicContact CE2-CG 4.07Å; Y413-P415 WeakPolarHBondContact O-CD 3.42Å; P415-H473 WeakPolarHBondContact CD-CE1 3.49Å; P415-H473 VanDerWaalsContact CD-ND1 3.31Å; P415-H473 WeakPolarHBondContact CD-ND1 3.47Å; P415-H473 HydrophobicContact CG-CB 4.34Å
416V97Very high87.2Confident19 Ų1958.1 Ų58.112%0.11528%0.279CS..THydrogen-bonded Turntrans-91.2-55.4173.1-179.50000110.7F337 C414 F418 R420 E446 W448F337-V416 HydrophobicContact CD1-CG2 4.14Å; F337-V416 HydrophobicContact CE1-CG2 4.28Å; C414-V416 PolarHBondContact O-N 3.22Å; V416-F418 PolarHBondContact O-N 3Å; V416-R420 PolarHBondContact O-N 2.79Å; V416-E446 HydrophobicContact CG1-CB 4.22Å; V416-W448 HydrophobicContact CG2-CH2 3.73Å; V416-W448 HydrophobicContact CG2-CZ2 3.89Å
417G94.7Very high88.3Confident15 Ų1559.2 Ų59.216%0.15529%0.288CS..Hα-helixtrans-71.8-27.4-170.200000114.5C414 R421C414-G417 PolarHBondContact O-N 2.93Å; C414-G417 PolarHBondContact SG-N 2.95Å; C414-G417 VanDerWaalsContact SG-N 3.39Å; G417-R421 WeakPolarHBondContact O-CG 3.44Å; G417-R421 VanDerWaalsContact O-CZ 3.24Å; G417-R421 PolarHBondContact O-N 3.42Å; G417-R421 PolarHBondContact O-NE 3.16Å; G417-R421 PolarHBondContact O-NH1 3.36Å
418F93.8Very high90Very high26 Ų2653.4 Ų53.411%0.11426%0.26CS..Hα-helixtrans-70-54.2177.5-173.2-115.8000111.1W339 L356 A360 Y413 C414 V416 R420 R421 T422W339-F418 AromaticContact CE2-CD1 3.97Å; W339-F418 AromaticContact CZ2-CD1 3.79Å; W339-F418 HydrophobicContact CZ2-CD1 3.79Å; W339-F418 AromaticContact CZ2-CE1 3.98Å; W339-F418 HydrophobicContact CZ2-CE1 3.98Å; W339-F418 AromaticContact NE1-CD1 3.73Å; L356-F418 HydrophobicContact CB-CE1 4.35Å; L356-F418 HydrophobicContact CB-CZ 4.07Å; A360-F418 HydrophobicContact CB-CD1 4.18Å; A360-F418 HydrophobicContact CB-CE1 4.41Å; Y413-F418 HydrophobicContact CD1-CD1 4.18Å; Y413-F418 AromaticContact CD1-CD2 3.79Å; Y413-F418 HydrophobicContact CD1-CD2 3.79Å; Y413-F418 HydrophobicContact CD1-CE1 4.26Å; Y413-F418 AromaticContact CD1-CE2 3.89Å; Y413-F418 HydrophobicContact CD1-CE2 3.89Å; Y413-F418 AromaticContact CD1-CG 3.96Å; Y413-F418 HydrophobicContact CD1-CG 3.96Å; Y413-F418 HydrophobicContact CD1-CZ 4.12Å; Y413-F418 HydrophobicContact CE1-CD2 4.19Å; Y413-F418 HydrophobicContact CE1-CE1 4.46Å; Y413-F418 AromaticContact CE1-CE2 3.82Å; Y413-F418 HydrophobicContact CE1-CE2 3.82Å; Y413-F418 AromaticContact CE1-CZ 3.97Å; Y413-F418 HydrophobicContact CE1-CZ 3.97Å; C414-F418 WeakPolarHBondContact O-CB 3.24Å; C414-F418 PolarHBondContact O-N 3.27Å; V416-F418 PolarHBondContact O-N 3Å; F418-R420 VanDerWaalsContact C-N 3.35Å; F418-R420 PolarHBondContact O-N 3.09Å; F418-R421 PolarHBondContact O-N 2.76Å; F418-T422 PolarHBondContact O-N 3.06Å; F418-T422 VanDerWaalsContact O-N 3.16Å; F418-T422 PolarHBondContact O-OG1 2.95Å
419G93.3Very high91.3Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-54.8-47.2177.100000112.7W339 R421 T422 D423 Y445W339-G419 VanDerWaalsContact CD2-CA 3.48Å; G419-R421 PolarHBondContact O-N 2.9Å; G419-T422 PolarHBondContact O-N 3.32Å; G419-D423 PolarHBondContact O-N 3.25Å; G419-Y445 VanDerWaalsContact C-CZ 3.43Å; G419-Y445 VanDerWaalsContact CA-CE1 3.48Å; G419-Y445 PolarHBondContact O-OH 3.28Å
420R95.3Very high92.5Very high88 Ų8850.5 Ų50.533%0.33225%0.245SC..Hα-helixtrans-57-32.8176.6-178.8178.2-63.1157.49.7113.9V416 F418 P424 Y445 E446V416-R420 PolarHBondContact O-N 2.79Å; F418-R420 VanDerWaalsContact C-N 3.35Å; F418-R420 PolarHBondContact O-N 3.09Å; R420-P424 WeakPolarHBondContact O-CA 3.38Å; R420-Y445 HydrophobicContact CB-CD2 4.04Å; R420-Y445 HydrophobicContact CB-CE2 4.32Å; R420-Y445 HydrophobicContact CB-CG 4.24Å; R420-E446 IonicContact CZ-OE1 3.36Å; R420-E446 IonicContact NH1-OE1 3.12Å; R420-E446 PolarHBondContact NH1-OE1 3.37Å; R420-E446 VanDerWaalsContact NH1-OE1 3.12Å; R420-E446 IonicContact NH2-OE1 2.67Å; R420-E446 PolarHBondContact NH2-OE1 2.9Å
421R93.8Very high93.8Very high180 Ų18051 Ų5168%0.67924%0.243SC*.Hα-helixtrans-78.7-28.7176.8-73.7-174.1-61.2-98.16.1112.7G417 F418 G419G417-R421 WeakPolarHBondContact O-CG 3.44Å; G417-R421 VanDerWaalsContact O-CZ 3.24Å; G417-R421 PolarHBondContact O-N 3.42Å; G417-R421 PolarHBondContact O-NE 3.16Å; G417-R421 PolarHBondContact O-NH1 3.36Å; F418-R421 PolarHBondContact O-N 2.76Å; G419-R421 PolarHBondContact O-N 2.9Å
422T92.1Very high94.8Very high16 Ų1645.2 Ų45.210%0.09822%0.216CC..Hα-helixtrans-81.5-38.2178.7-58.70000112.5M239 A241 L244 W339 F418 G419M239-T422 HydrophobicContact CE-CG2 3.51Å; M239-T422 HydrophobicContact SD-CG2 4.04Å; A241-T422 PolarHBondContact N-O 3.11Å; L244-T422 HydrophobicContact CD1-CG2 3.86Å; L244-T422 HydrophobicContact CD2-CG2 4.13Å; L244-T422 HydrophobicContact CG-CG2 4.1Å; W339-T422 HydrophobicContact CH2-CG2 4.44Å; F418-T422 PolarHBondContact O-N 3.06Å; F418-T422 VanDerWaalsContact O-N 3.16Å; F418-T422 PolarHBondContact O-OG1 2.95Å; G419-T422 PolarHBondContact O-N 3.32Å
423D94.9Very high95.5Very high4 Ų444.1 Ų44.12%0.02121%0.208CC..  trans-141.489.8179.3174.35000109.8A241 G419 N425 G426 D427 Y428 Y445A241-D423 HydrophobicContact CB-CB 3.73Å; G419-D423 PolarHBondContact O-N 3.25Å; D423-N425 PolarHBondContact O-N 3.46Å; D423-N425 PolarHBondContact OD1-N 3.05Å; D423-G426 PolarHBondContact O-N 2.97Å; D423-G426 PolarHBondContact OD1-N 3.32Å; D423-D427 PolarHBondContact OD1-N 3.2Å; D423-D427 PolarHBondContact OD2-N 3.35Å; D423-Y428 VanDerWaalsContact OD2-CB 3.31Å; D423-Y428 WeakPolarHBondContact OD2-CB 3.39Å; D423-Y428 PolarHBondContact OD2-N 2.97Å; D423-Y445 VanDerWaalsContact O-CE2 3.22Å; D423-Y445 WeakPolarHBondContact O-CE2 3.49Å; D423-Y445 PolarHBondContact O-OH 2.94Å
424P95.3Very high95.9Very high84 Ų8444.5 Ų44.555%0.54522%0.218SC..THydrogen-bonded Turntrans-62.4-22.5-177.6-26.535.9000115.3R420R420-P424 WeakPolarHBondContact O-CA 3.38Å
425N95.5Very high96Very high91 Ų9146.2 Ų46.249%0.48722%0.224SC..THydrogen-bonded Turntrans-85.5-24.8-179.4-68.5-14.2000112.7D423 D427 R430D423-N425 PolarHBondContact O-N 3.46Å; D423-N425 PolarHBondContact OD1-N 3.05Å; N425-D427 VanDerWaalsContact CB-OD2 3.25Å; N425-D427 WeakPolarHBondContact CB-OD2 3.11Å; N425-D427 PolarHBondContact ND2-OD2 3.08Å; N425-R430 PolarHBondContact O-NH2 3.03Å
426G96.2Very high96.1Very high0 Ų046 Ų460%022%0.223CC..  trans72.927.3-172.300000113.3D423 Y428 I429 R430 I444D423-G426 PolarHBondContact O-N 2.97Å; D423-G426 PolarHBondContact OD1-N 3.32Å; G426-Y428 PolarHBondContact O-N 3.09Å; G426-I429 WeakPolarHBondContact O-CA 3.49Å; G426-I429 WeakPolarHBondContact O-CB 3.49Å; G426-I429 PolarHBondContact O-N 3.45Å; G426-R430 WeakPolarHBondContact O-CG 3.36Å; G426-R430 PolarHBondContact O-N 3.1Å; G426-I444 WeakPolarHBondContact O-CD1 3.42Å
427D96.6Very high96.1Very high81 Ų8152 Ų5243%0.43324%0.243SC..Hα-helixtrans-61.8-32.4-179.4-64.1-34.1000111.7D423 N425 R430 R431D423-D427 PolarHBondContact OD1-N 3.2Å; D423-D427 PolarHBondContact OD2-N 3.35Å; N425-D427 VanDerWaalsContact CB-OD2 3.25Å; N425-D427 WeakPolarHBondContact CB-OD2 3.11Å; N425-D427 PolarHBondContact ND2-OD2 3.08Å; D427-R430 PolarHBondContact O-N 3.2Å; D427-R430 IonicContact OD1-NE 3.71Å; D427-R431 PolarHBondContact O-N 2.93Å; D427-R431 VanDerWaalsContact O-N 3.08Å
428Y97.4Very high96.2Very high6 Ų653.4 Ų53.42%0.02426%0.258CS..Hα-helixtrans-59.5-44.1168.6-179.1-98.6000112.3L244 L245 W339 A342 I343 Q346 D423 G426 R431 Y432L244-Y428 HydrophobicContact CB-CD2 3.73Å; L244-Y428 HydrophobicContact CB-CE2 3.66Å; L244-Y428 HydrophobicContact CD1-CD1 4.24Å; L244-Y428 HydrophobicContact CD1-CD2 3.82Å; L244-Y428 HydrophobicContact CD1-CE2 4.23Å; L244-Y428 HydrophobicContact CD1-CG 3.83Å; L244-Y428 HydrophobicContact CG-CD2 4.45Å; L245-Y428 HydrophobicContact CD2-CD2 4.09Å; L245-Y428 HydrophobicContact CD2-CE2 4.42Å; W339-Y428 HydrophobicContact CE3-CD1 4.12Å; W339-Y428 HydrophobicContact CE3-CE1 4.31Å; W339-Y428 AromaticContact CZ3-CD1 3.77Å; W339-Y428 HydrophobicContact CZ3-CD1 3.77Å; W339-Y428 HydrophobicContact CZ3-CE1 4Å; A342-Y428 HydrophobicContact CB-CD1 3.96Å; A342-Y428 HydrophobicContact CB-CE1 3.67Å; I343-Y428 WeakPolarHBondContact CA-OH 3.45Å; I343-Y428 HydrophobicContact CG1-CE1 3.98Å; Q346-Y428 PolarHBondContact OE1-OH 3.02Å; D423-Y428 VanDerWaalsContact OD2-CB 3.31Å; D423-Y428 WeakPolarHBondContact OD2-CB 3.39Å; D423-Y428 PolarHBondContact OD2-N 2.97Å; G426-Y428 PolarHBondContact O-N 3.09Å; Y428-R431 WeakPolarHBondContact O-CB 3.37Å; Y428-R431 PolarHBondContact O-N 3Å; Y428-Y432 AromaticContact CD2-CD2 3.87Å; Y428-Y432 HydrophobicContact CD2-CD2 3.87Å; Y428-Y432 AromaticContact CD2-CE2 3.7Å; Y428-Y432 HydrophobicContact CD2-CE2 3.7Å; Y428-Y432 HydrophobicContact CE1-CD2 4.34Å; Y428-Y432 AromaticContact CE2-CD2 3.64Å; Y428-Y432 HydrophobicContact CE2-CD2 3.64Å; Y428-Y432 AromaticContact CE2-CE2 3.4Å; Y428-Y432 HydrophobicContact CE2-CE2 3.4Å; Y428-Y432 HydrophobicContact CG-CD2 4.31Å; Y428-Y432 AromaticContact CZ-CD2 3.9Å; Y428-Y432 WeakPolarHBondContact O-CD2 3.31Å; Y428-Y432 PolarHBondContact O-N 3.12Å
429I98.1Very high96.5Very high0 Ų052.2 Ų52.20%025%0.253CS..Hα-helixtrans-65.6-43.4175.3-67.9165.5000110.4P338 A342 G426 R431 Y432 L433 L436 I444 Y445P338-I429 HydrophobicContact CB-CD1 3.79Å; P338-I429 HydrophobicContact CB-CG1 4.24Å; P338-I429 HydrophobicContact CB-CG2 3.94Å; A342-I429 HydrophobicContact CB-CG1 4.23Å; G426-I429 WeakPolarHBondContact O-CA 3.49Å; G426-I429 WeakPolarHBondContact O-CB 3.49Å; G426-I429 PolarHBondContact O-N 3.45Å; I429-R431 PolarHBondContact O-N 3.48Å; I429-Y432 PolarHBondContact O-N 2.81Å; I429-L433 HydrophobicContact CG2-CB 4.28Å; I429-L433 HydrophobicContact CG2-CD1 4.28Å; I429-L433 CarbonylContact O-C 3.51Å; I429-L433 WeakPolarHBondContact O-CA 3.33Å; I429-L433 WeakPolarHBondContact O-CB 3.44Å; I429-L433 PolarHBondContact O-N 3.39Å; I429-L436 HydrophobicContact CG2-CB 4.19Å; I429-L436 HydrophobicContact CG2-CD1 3.94Å; I429-I444 HydrophobicContact CB-CD1 4.02Å; I429-I444 HydrophobicContact CB-CG1 4.03Å; I429-I444 HydrophobicContact CD1-CG1 4.24Å; I429-I444 HydrophobicContact CG2-CD1 3.9Å; I429-I444 HydrophobicContact CG2-CG1 3.66Å; I429-Y445 HydrophobicContact CD1-CD1 3.56Å; I429-Y445 HydrophobicContact CD1-CD2 4.35Å; I429-Y445 HydrophobicContact CD1-CE1 3.28Å; I429-Y445 HydrophobicContact CD1-CE2 4.13Å; I429-Y445 HydrophobicContact CD1-CG 4.06Å; I429-Y445 HydrophobicContact CG1-CE1 4.35Å
430R98Very high96.7Very high51 Ų5155.2 Ų55.219%0.19227%0.272CS..Hα-helixtrans-62-26.3178.6-61.1178.5-161-67.5-17.1113.6N425 G426 D427 R437 F439 I444N425-R430 PolarHBondContact O-NH2 3.03Å; G426-R430 WeakPolarHBondContact O-CG 3.36Å; G426-R430 PolarHBondContact O-N 3.1Å; D427-R430 PolarHBondContact O-N 3.2Å; D427-R430 IonicContact OD1-NE 3.71Å; R430-R437 HydrophobicContact CB-CG 4.32Å; R430-R437 PolarHBondContact NH1-O 3.19Å; R430-R437 PolarHBondContact O-NE 2.94Å; R430-F439 PolarHBondContact NH1-O 3.25Å; R430-F439 PolarHBondContact NH2-O 2.97Å; R430-I444 HydrophobicContact CG-CD1 3.54Å; R430-I444 VanDerWaalsContact CZ-CD1 3.49Å
431R96.9Very high96.8Very high134 Ų13452.8 Ų52.851%0.50627%0.271SS..Hα-helixtrans-75.9-57.7177-180177.2173.2119.20.2111.2E350 D427 Y428 I429E350-R431 IonicContact OE1-NH2 2.72Å; D427-R431 PolarHBondContact O-N 2.93Å; D427-R431 VanDerWaalsContact O-N 3.08Å; Y428-R431 WeakPolarHBondContact O-CB 3.37Å; Y428-R431 PolarHBondContact O-N 3Å; I429-R431 PolarHBondContact O-N 3.48Å
432Y98.1Very high97Very high7 Ų751.1 Ų51.13%0.02727%0.268CS..Hα-helixtrans-86.7-23.2-173.2-64.9-72.3000114.2L245 T345 Q346 E350 Y428 I429 P434L245-Y432 HydrophobicContact CD2-CE2 3.9Å; T345-Y432 WeakPolarHBondContact CG2-O 3.34Å; Q346-Y432 HydrophobicContact CB-CD1 3.85Å; Q346-Y432 HydrophobicContact CB-CD2 4.25Å; Q346-Y432 HydrophobicContact CB-CE1 3.74Å; Q346-Y432 HydrophobicContact CB-CE2 4.16Å; Q346-Y432 HydrophobicContact CB-CG 4.12Å; Q346-Y432 HydrophobicContact CG-CD1 4.34Å; Q346-Y432 HydrophobicContact CG-CE1 3.7Å; Q346-Y432 HydrophobicContact CG-CE2 4.15Å; Q346-Y432 PolarHBondContact NE2-OH 3.27Å; E350-Y432 HydrophobicContact CG-CE1 4.42Å; E350-Y432 WeakPolarHBondContact OE1-CE1 3.33Å; E350-Y432 PolarHBondContact OE1-OH 2.94Å; E350-Y432 PolarHBondContact OE2-OH 3.15Å; Y428-Y432 AromaticContact CD2-CD2 3.87Å; Y428-Y432 HydrophobicContact CD2-CD2 3.87Å; Y428-Y432 AromaticContact CD2-CE2 3.7Å; Y428-Y432 HydrophobicContact CD2-CE2 3.7Å; Y428-Y432 HydrophobicContact CE1-CD2 4.34Å; Y428-Y432 AromaticContact CE2-CD2 3.64Å; Y428-Y432 HydrophobicContact CE2-CD2 3.64Å; Y428-Y432 AromaticContact CE2-CE2 3.4Å; Y428-Y432 HydrophobicContact CE2-CE2 3.4Å; Y428-Y432 HydrophobicContact CG-CD2 4.31Å; Y428-Y432 AromaticContact CZ-CD2 3.9Å; Y428-Y432 WeakPolarHBondContact O-CD2 3.31Å; Y428-Y432 PolarHBondContact O-N 3.12Å; I429-Y432 PolarHBondContact O-N 2.81Å; Y432-P434 VanDerWaalsContact C-CD 3.45Å; Y432-P434 WeakPolarHBondContact O-CD 3.16Å
433L98.2Very high97.2Very high15 Ų1552.1 Ų52.18%0.07927%0.271CS..  trans-118.674.9173-57.8177.9000110.9P338 D341 A342 I429 I435 L436 Y466P338-L433 HydrophobicContact CB-CD1 4.19Å; P338-L433 WeakPolarHBondContact O-CD1 3.4Å; D341-L433 HydrophobicContact CB-CD1 3.76Å; D341-L433 HydrophobicContact CB-CD2 4.33Å; A342-L433 HydrophobicContact CB-CD1 4.14Å; A342-L433 HydrophobicContact CB-CG 4.13Å; I429-L433 HydrophobicContact CG2-CB 4.28Å; I429-L433 HydrophobicContact CG2-CD1 4.28Å; I429-L433 CarbonylContact O-C 3.51Å; I429-L433 WeakPolarHBondContact O-CA 3.33Å; I429-L433 WeakPolarHBondContact O-CB 3.44Å; I429-L433 PolarHBondContact O-N 3.39Å; L433-I435 PolarHBondContact O-N 2.81Å; L433-L436 HydrophobicContact CB-CD1 4.22Å; L433-L436 HydrophobicContact CB-CG 4.39Å; L433-L436 HydrophobicContact CD1-CD1 3.89Å; L433-L436 PolarHBondContact O-N 3.22Å; L433-Y466 HydrophobicContact CD1-CE2 4.23Å
434P97.6Very high97.4Very high75 Ų7551.9 Ų51.949%0.48727%0.27SS..G310 helixtrans-54.5-28.3-178.6-28.436.1000114.9Y432 L436 R437Y432-P434 VanDerWaalsContact C-CD 3.45Å; Y432-P434 WeakPolarHBondContact O-CD 3.16Å; P434-L436 PolarHBondContact O-N 2.9Å; P434-R437 WeakPolarHBondContact O-CB 3.38Å; P434-R437 PolarHBondContact O-N 3.25Å
435I97.9Very high97.6Very high75 Ų7548 Ų4839%0.38524%0.244SC..G310 helixtrans-61.6-25.6176.7-166.259.9000112.9L433 C460 H465 Y466L433-I435 PolarHBondContact O-N 2.81Å; I435-C460 HydrophobicContact CG1-CB 4.41Å; I435-C460 WeakPolarHBondContact O-CB 3.26Å; I435-H465 HydrophobicContact CD1-CB 4.33Å; I435-H465 HydrophobicContact CG1-CB 4.29Å; I435-Y466 HydrophobicContact CG2-CD2 4.36Å
436L98.1Very high97.7Very high0 Ų045.7 Ų45.70%023%0.23CC..G310 helixtrans-92.81.3176.8-61.3-179.9000113.5P338 I429 L433 P434 G438 F439 Y466P338-L436 HydrophobicContact CB-CD1 3.6Å; P338-L436 HydrophobicContact CG-CD1 3.56Å; I429-L436 HydrophobicContact CG2-CB 4.19Å; I429-L436 HydrophobicContact CG2-CD1 3.94Å; L433-L436 HydrophobicContact CB-CD1 4.22Å; L433-L436 HydrophobicContact CB-CG 4.39Å; L433-L436 HydrophobicContact CD1-CD1 3.89Å; L433-L436 PolarHBondContact O-N 3.22Å; P434-L436 PolarHBondContact O-N 2.9Å; L436-G438 PolarHBondContact O-N 3.43Å; L436-F439 HydrophobicContact CB-CD2 4.24Å; L436-F439 HydrophobicContact CD2-CD2 3.79Å; L436-F439 HydrophobicContact CD2-CE2 3.58Å; L436-F439 PolarHBondContact O-N 3.5Å; L436-Y466 HydrophobicContact CD1-CD1 4.43Å; L436-Y466 HydrophobicContact CD1-CD2 4.18Å; L436-Y466 HydrophobicContact CD1-CE1 4.23Å; L436-Y466 HydrophobicContact CD1-CE2 4.03Å; L436-Y466 HydrophobicContact CD1-CG 4.4Å; L436-Y466 HydrophobicContact CD2-CD1 3.97Å; L436-Y466 HydrophobicContact CD2-CD2 4.23Å; L436-Y466 HydrophobicContact CD2-CG 3.8Å; L436-Y466 HydrophobicContact CG-CD2 4.29Å; L436-Y466 HydrophobicContact CG-CG 4.36Å
437R97.2Very high97.8Very high144 Ų14445.7 Ų45.754%0.54323%0.23SC..THydrogen-bonded Turntrans-58.1-27.3-173.7-172.9178.6-63.6163.71.9113.8R430 P434R430-R437 HydrophobicContact CB-CG 4.32Å; R430-R437 PolarHBondContact NH1-O 3.19Å; R430-R437 PolarHBondContact O-NE 2.94Å; P434-R437 WeakPolarHBondContact O-CB 3.38Å; P434-R437 PolarHBondContact O-N 3.25Å
438G97.1Very high97.8Very high45 Ų4545.1 Ų45.146%0.46422%0.222SC..THydrogen-bonded Turntrans-77.4-13.1177.400000115.8L436L436-G438 PolarHBondContact O-N 3.43Å
439F98.3Very high97.9Very high1 Ų149 Ų490%0.00424%0.243CC..SBendtrans-74.1135.3-176.4-82.3-92.3000112.5R430 L436 I444 P447 A450 Q455 A458 C460 V462R430-F439 PolarHBondContact NH1-O 3.25Å; R430-F439 PolarHBondContact NH2-O 2.97Å; L436-F439 HydrophobicContact CB-CD2 4.24Å; L436-F439 HydrophobicContact CD2-CD2 3.79Å; L436-F439 HydrophobicContact CD2-CE2 3.58Å; L436-F439 PolarHBondContact O-N 3.5Å; F439-I444 HydrophobicContact CB-CB 4.3Å; F439-I444 HydrophobicContact CB-CG1 4.49Å; F439-P447 HydrophobicContact CD1-CB 4.03Å; F439-P447 HydrophobicContact CE1-CB 3.62Å; F439-P447 HydrophobicContact CE2-CB 4.26Å; F439-P447 HydrophobicContact CZ-CB 3.76Å; F439-A450 HydrophobicContact CD1-CB 4.17Å; F439-A450 HydrophobicContact CE1-CB 3.71Å; F439-Q455 HydrophobicContact CE1-CG 4.11Å; F439-Q455 HydrophobicContact CZ-CG 4.18Å; F439-A458 HydrophobicContact CD2-CB 3.95Å; F439-A458 HydrophobicContact CE2-CB 4.09Å; F439-A458 HydrophobicContact CG-CB 4.19Å; F439-A458 HydrophobicContact CZ-CB 4.43Å; F439-C460 HydrophobicContact CE2-CB 3.78Å; F439-C460 HydrophobicContact CZ-CB 4.48Å; F439-C460 WeakPolarHBondContact CZ-O 3.26Å; F439-V462 HydrophobicContact CZ-CG2 4.21Å
440P97.9Very high97.8Very high62 Ų6249.3 Ų49.340%0.40325%0.245SC..  trans-58.2147.5169-2333.6000111.7K442 Y443 I444 V454P440-K442 PolarHBondContact O-N 3.45Å; P440-Y443 HydrophobicContact CB-CD2 4.4Å; P440-Y443 HydrophobicContact CG-CD2 4.43Å; P440-Y443 PolarHBondContact O-N 2.66Å; P440-I444 PolarHBondContact O-N 3.41Å; P440-V454 HydrophobicContact CG-CG1 3.95Å
441A97.4Very high97.9Very high37 Ų3750 Ų5031%0.30626%0.257SS..THydrogen-bonded Turntrans-53.4-31.3-18000000113.8Y443 I444A441-Y443 PolarHBondContact O-N 3.46Å; A441-I444 WeakPolarHBondContact O-CG2 3.37Å
442K97.4Very high97.8Very high145 Ų14549.7 Ų49.763%0.6326%0.261SS*.THydrogen-bonded Turntrans-54-36.8172.3-177-179.3176.4-166.40113.4P440P440-K442 PolarHBondContact O-N 3.45Å
443Y98.3Very high97.8Very high37 Ų3752.9 Ų52.915%0.14529%0.289CS..THydrogen-bonded Turntrans-111.4-12.6-171.8-64.1-69000114.1P440 A441 Y445 E446 P447 N449 A450 V454P440-Y443 HydrophobicContact CB-CD2 4.4Å; P440-Y443 HydrophobicContact CG-CD2 4.43Å; P440-Y443 PolarHBondContact O-N 2.66Å; A441-Y443 PolarHBondContact O-N 3.46Å; Y443-Y445 PolarHBondContact O-N 2.91Å; Y443-Y445 VanDerWaalsContact O-N 3.08Å; Y443-E446 CarbonylContact O-C 3.09Å; Y443-E446 PolarHBondContact O-N 3.2Å; Y443-P447 VanDerWaalsContact O-CA 3.31Å; Y443-P447 WeakPolarHBondContact O-CA 3.32Å; Y443-P447 WeakPolarHBondContact O-CD 3.31Å; Y443-N449 VanDerWaalsContact CE1-O 3.25Å; Y443-N449 WeakPolarHBondContact CE1-O 3.41Å; Y443-A450 HydrophobicContact CD1-CB 3.92Å; Y443-A450 HydrophobicContact CD2-CB 4.36Å; Y443-A450 HydrophobicContact CE1-CB 4.5Å; Y443-A450 HydrophobicContact CG-CB 3.84Å; Y443-V454 HydrophobicContact CD2-CG1 4.2Å
444I98.4Very high97.8Very high0 Ų053.8 Ų53.80%030%0.295CS..THydrogen-bonded Turntrans-61.3-24.3-172.4-165.7160.9000114.6P338 G426 I429 R430 F439 P440 A441P338-I444 WeakPolarHBondContact CB-O 3.32Å; P338-I444 WeakPolarHBondContact CG-O 3.33Å; G426-I444 WeakPolarHBondContact O-CD1 3.42Å; I429-I444 HydrophobicContact CB-CD1 4.02Å; I429-I444 HydrophobicContact CB-CG1 4.03Å; I429-I444 HydrophobicContact CD1-CG1 4.24Å; I429-I444 HydrophobicContact CG2-CD1 3.9Å; I429-I444 HydrophobicContact CG2-CG1 3.66Å; R430-I444 HydrophobicContact CG-CD1 3.54Å; R430-I444 VanDerWaalsContact CZ-CD1 3.49Å; F439-I444 HydrophobicContact CB-CB 4.3Å; F439-I444 HydrophobicContact CB-CG1 4.49Å; P440-I444 PolarHBondContact O-N 3.41Å; A441-I444 WeakPolarHBondContact O-CG2 3.37Å
445Y98.4Very high97.9Very high2 Ų251.3 Ų51.31%0.00828%0.277CS..THydrogen-bonded Turntrans-90.6-13.9174.7-73.8-81.6000114.4W339 G419 R420 D423 I429 Y443W339-Y445 HydrophobicContact CB-CD1 4.2Å; W339-Y445 HydrophobicContact CB-CE1 4.22Å; W339-Y445 HydrophobicContact CE3-CE1 4.06Å; G419-Y445 VanDerWaalsContact C-CZ 3.43Å; G419-Y445 VanDerWaalsContact CA-CE1 3.48Å; G419-Y445 PolarHBondContact O-OH 3.28Å; R420-Y445 HydrophobicContact CB-CD2 4.04Å; R420-Y445 HydrophobicContact CB-CE2 4.32Å; R420-Y445 HydrophobicContact CB-CG 4.24Å; D423-Y445 VanDerWaalsContact O-CE2 3.22Å; D423-Y445 WeakPolarHBondContact O-CE2 3.49Å; D423-Y445 PolarHBondContact O-OH 2.94Å; I429-Y445 HydrophobicContact CD1-CD1 3.56Å; I429-Y445 HydrophobicContact CD1-CD2 4.35Å; I429-Y445 HydrophobicContact CD1-CE1 3.28Å; I429-Y445 HydrophobicContact CD1-CE2 4.13Å; I429-Y445 HydrophobicContact CD1-CG 4.06Å; I429-Y445 HydrophobicContact CG1-CE1 4.35Å; Y443-Y445 PolarHBondContact O-N 2.91Å; Y443-Y445 VanDerWaalsContact O-N 3.08Å
446E97.9Very high97.8Very high42 Ų4253.9 Ų53.920%0.19629%0.285CS..  trans-144.757.4-17752.8178.79600110.6V416 R420 Y443 W448 N449V416-E446 HydrophobicContact CG1-CB 4.22Å; R420-E446 IonicContact CZ-OE1 3.36Å; R420-E446 IonicContact NH1-OE1 3.12Å; R420-E446 PolarHBondContact NH1-OE1 3.37Å; R420-E446 VanDerWaalsContact NH1-OE1 3.12Å; R420-E446 IonicContact NH2-OE1 2.67Å; R420-E446 PolarHBondContact NH2-OE1 2.9Å; Y443-E446 CarbonylContact O-C 3.09Å; Y443-E446 PolarHBondContact O-N 3.2Å; E446-W448 HydrophobicContact CB-CD2 4.44Å; E446-W448 HydrophobicContact CB-CH2 4.09Å; E446-W448 HydrophobicContact CB-CZ2 3.7Å; E446-W448 PolarHBondContact O-N 3.19Å; E446-W448 VanDerWaalsContact O-N 3.09Å; E446-N449 HydrophobicContact CG-CB 4.43Å; E446-N449 WeakPolarHBondContact O-CB 3.31Å; E446-N449 PolarHBondContact O-N 2.67Å; E446-N449 PolarHBondContact OE2-ND2 3.31Å
447P98.1Very high97.8Very high0 Ų057.8 Ų57.80%032%0.318CS..G310 helixtrans-64.5-21.6-168.525.5-36.3000113P338 F439 Y443 N449 A450 V462 Y466P338-P447 HydrophobicContact CG-CG 3.71Å; F439-P447 HydrophobicContact CD1-CB 4.03Å; F439-P447 HydrophobicContact CE1-CB 3.62Å; F439-P447 HydrophobicContact CE2-CB 4.26Å; F439-P447 HydrophobicContact CZ-CB 3.76Å; Y443-P447 VanDerWaalsContact O-CA 3.31Å; Y443-P447 WeakPolarHBondContact O-CA 3.32Å; Y443-P447 WeakPolarHBondContact O-CD 3.31Å; P447-N449 PolarHBondContact O-N 2.94Å; P447-A450 WeakPolarHBondContact O-CB 3.19Å; P447-A450 PolarHBondContact O-N 3.01Å; P447-A450 VanDerWaalsContact O-N 3.08Å; P447-V462 HydrophobicContact CB-CG2 3.93Å; P447-V462 HydrophobicContact CG-CG2 4.44Å; P447-Y466 HydrophobicContact CG-CD1 4.18Å; P447-Y466 HydrophobicContact CG-CE1 3.98Å
448W98.3Very high97.8Very high69 Ų6951.5 Ų51.526%0.26130%0.296SS..G310 helixtrans-63.5-23.1172.158.986.5000113.6G336 F337 V416 E446 A450 V462 P469G336-W448 WeakPolarHBondContact O-CZ3 3.41Å; F337-W448 AromaticContact CD1-CH2 3.62Å; F337-W448 HydrophobicContact CD1-CH2 3.62Å; F337-W448 HydrophobicContact CD1-CZ2 4.48Å; F337-W448 HydrophobicContact CD1-CZ3 4.23Å; F337-W448 AromaticContact CE1-CH2 3.75Å; F337-W448 HydrophobicContact CE1-CH2 3.75Å; F337-W448 HydrophobicContact CE1-CZ2 4.19Å; F337-W448 HydrophobicContact CG-CH2 4.43Å; V416-W448 HydrophobicContact CG2-CH2 3.73Å; V416-W448 HydrophobicContact CG2-CZ2 3.89Å; E446-W448 HydrophobicContact CB-CD2 4.44Å; E446-W448 HydrophobicContact CB-CH2 4.09Å; E446-W448 HydrophobicContact CB-CZ2 3.7Å; E446-W448 PolarHBondContact O-N 3.19Å; E446-W448 VanDerWaalsContact O-N 3.09Å; W448-A450 VanDerWaalsContact C-N 3.34Å; W448-V462 HydrophobicContact CB-CG1 4.28Å; W448-P469 HydrophobicContact CB-CG 4.39Å; W448-P469 HydrophobicContact CD2-CB 4.34Å; W448-P469 HydrophobicContact CD2-CG 3.69Å; W448-P469 HydrophobicContact CE3-CB 4.13Å; W448-P469 HydrophobicContact CE3-CG 3.88Å; W448-P469 HydrophobicContact CG-CG 3.92Å; W448-P469 HydrophobicContact CH2-CB 4.5Å; W448-P469 HydrophobicContact CZ3-CB 4.23Å; W448-P469 HydrophobicContact CZ3-CG 4.44Å
449N97.9Very high97.9Very high89 Ų8957.8 Ų57.848%0.47631%0.311SS..G310 helixtrans-87.50.4174-73-14.1000113.2Y443 E446 P447Y443-N449 VanDerWaalsContact CE1-O 3.25Å; Y443-N449 WeakPolarHBondContact CE1-O 3.41Å; E446-N449 HydrophobicContact CG-CB 4.43Å; E446-N449 WeakPolarHBondContact O-CB 3.31Å; E446-N449 PolarHBondContact O-N 2.67Å; E446-N449 PolarHBondContact OE2-ND2 3.31Å; P447-N449 PolarHBondContact O-N 2.94Å
450A97.6Very high97.9Very high5 Ų557.7 Ų57.74%0.04131%0.311CS..SBendtrans-77.6130.2175.500000110.9F439 Y443 P447 W448 V454 Q455F439-A450 HydrophobicContact CD1-CB 4.17Å; F439-A450 HydrophobicContact CE1-CB 3.71Å; Y443-A450 HydrophobicContact CD1-CB 3.92Å; Y443-A450 HydrophobicContact CD2-CB 4.36Å; Y443-A450 HydrophobicContact CE1-CB 4.5Å; Y443-A450 HydrophobicContact CG-CB 3.84Å; P447-A450 WeakPolarHBondContact O-CB 3.19Å; P447-A450 PolarHBondContact O-N 3.01Å; P447-A450 VanDerWaalsContact O-N 3.08Å; W448-A450 VanDerWaalsContact C-N 3.34Å; A450-V454 HydrophobicContact CB-CB 4.27Å; A450-V454 HydrophobicContact CB-CG1 4.17Å; A450-Q455 HydrophobicContact CB-CG 3.98Å; A450-Q455 PolarHBondContact O-NE2 2.7Å
451P98.3Very high97.9Very high67 Ų6757.2 Ų57.244%0.43530%0.304SS..  trans-57.1151.5172.6-24.333.7000112.3A453 V454 Q455P451-A453 PolarHBondContact O-N 3.35Å; P451-A453 VanDerWaalsContact O-N 3.09Å; P451-V454 HydrophobicContact CB-CG2 4.47Å; P451-V454 HydrophobicContact CG-CG2 4.43Å; P451-V454 WeakPolarHBondContact O-CA 3.49Å; P451-V454 WeakPolarHBondContact O-CB 3.45Å; P451-V454 PolarHBondContact O-N 2.99Å; P451-Q455 PolarHBondContact O-N 3.49Å; P451-Q455 VanDerWaalsContact O-N 3.11Å
452E96.6Very high97.9Very high127 Ų12756.2 Ų56.259%0.59329%0.294SS*.Hα-helixtrans-51.9-38.2-179-73.1-167.9-163.300113.8V454 Q455 K456E452-V454 VanDerWaalsContact C-N 3.26Å; E452-V454 PolarHBondContact O-N 3.11Å; E452-Q455 PolarHBondContact O-N 3.12Å; E452-K456 WeakPolarHBondContact O-CB 3.25Å; E452-K456 VanDerWaalsContact O-CG 3.29Å; E452-K456 WeakPolarHBondContact O-CG 3.24Å; E452-K456 PolarHBondContact O-N 2.83Å; E452-K456 IonicContact OE2-NZ 2.67Å; E452-K456 PolarHBondContact OE2-NZ 3.23Å
453A97.9Very high97.9Very high73 Ų7351.3 Ų51.360%0.60328%0.284SS*.Hα-helixtrans-60.5-36.9177.500000112.2P451 A457P451-A453 PolarHBondContact O-N 3.35Å; P451-A453 VanDerWaalsContact O-N 3.09Å; A453-A457 VanDerWaalsContact O-CB 3.29Å; A453-A457 WeakPolarHBondContact O-CB 3.41Å; A453-A457 PolarHBondContact O-N 3.36Å
454V98.3Very high97.8Very high35 Ų3554.9 Ų54.921%0.21231%0.31CS..Hα-helixtrans-71.9-42.3175.7-179.70000110.6P440 Y443 A450 P451 E452 A457 A458P440-V454 HydrophobicContact CG-CG1 3.95Å; Y443-V454 HydrophobicContact CD2-CG1 4.2Å; A450-V454 HydrophobicContact CB-CB 4.27Å; A450-V454 HydrophobicContact CB-CG1 4.17Å; P451-V454 HydrophobicContact CB-CG2 4.47Å; P451-V454 HydrophobicContact CG-CG2 4.43Å; P451-V454 WeakPolarHBondContact O-CA 3.49Å; P451-V454 WeakPolarHBondContact O-CB 3.45Å; P451-V454 PolarHBondContact O-N 2.99Å; E452-V454 VanDerWaalsContact C-N 3.26Å; E452-V454 PolarHBondContact O-N 3.11Å; V454-A457 PolarHBondContact O-N 2.85Å; V454-A458 VanDerWaalsContact O-CB 3.25Å; V454-A458 WeakPolarHBondContact O-CB 3.26Å; V454-A458 PolarHBondContact O-N 3.11Å
455Q98.2Very high97.8Very high22 Ų2259.8 Ų59.810%0.10333%0.333CS..Hα-helixtrans-63-42.9176.6-63.2-170.935.700112.1F439 A450 P451 E452 A458 K459 C460 I461F439-Q455 HydrophobicContact CE1-CG 4.11Å; F439-Q455 HydrophobicContact CZ-CG 4.18Å; A450-Q455 HydrophobicContact CB-CG 3.98Å; A450-Q455 PolarHBondContact O-NE2 2.7Å; P451-Q455 PolarHBondContact O-N 3.49Å; P451-Q455 VanDerWaalsContact O-N 3.11Å; E452-Q455 PolarHBondContact O-N 3.12Å; Q455-A458 PolarHBondContact O-N 3.01Å; Q455-K459 PolarHBondContact O-N 3.06Å; Q455-K459 VanDerWaalsContact O-N 3.12Å; Q455-C460 WeakPolarHBondContact CB-O 3.38Å; Q455-C460 PolarHBondContact O-N 2.86Å; Q455-I461 HydrophobicContact CB-CD1 3.83Å
456K97.4Very high97.8Very high129 Ų12960.2 Ų60.256%0.56133%0.334SS*.Hα-helixtrans-62.8-45.3174.4-73.5164.9176.6161.10111.2E452 A458 K459 I461E452-K456 WeakPolarHBondContact O-CB 3.25Å; E452-K456 VanDerWaalsContact O-CG 3.29Å; E452-K456 WeakPolarHBondContact O-CG 3.24Å; E452-K456 PolarHBondContact O-N 2.83Å; E452-K456 IonicContact OE2-NZ 2.67Å; E452-K456 PolarHBondContact OE2-NZ 3.23Å; K456-A458 PolarHBondContact O-N 3.37Å; K456-K459 PolarHBondContact O-N 2.84Å; K456-K459 VanDerWaalsContact O-N 3.11Å; K456-I461 HydrophobicContact CG-CD1 3.82Å
457A97.8Very high97.8Very high83 Ų8360.4 Ų60.469%0.68634%0.339SS*.Hα-helixtrans-64.4-37.5175.600000113A453 V454 K459A453-A457 VanDerWaalsContact O-CB 3.29Å; A453-A457 WeakPolarHBondContact O-CB 3.41Å; A453-A457 PolarHBondContact O-N 3.36Å; V454-A457 PolarHBondContact O-N 2.85Å; A457-K459 PolarHBondContact O-N 2.75Å
458A97.3Very high97.8Very high11 Ų1167.2 Ų67.29%0.09137%0.369CS..THydrogen-bonded Turntrans-72.6-6.7174.300000113.8F439 V454 Q455 K456 C460F439-A458 HydrophobicContact CD2-CB 3.95Å; F439-A458 HydrophobicContact CE2-CB 4.09Å; F439-A458 HydrophobicContact CG-CB 4.19Å; F439-A458 HydrophobicContact CZ-CB 4.43Å; V454-A458 VanDerWaalsContact O-CB 3.25Å; V454-A458 WeakPolarHBondContact O-CB 3.26Å; V454-A458 PolarHBondContact O-N 3.11Å; Q455-A458 PolarHBondContact O-N 3.01Å; K456-A458 PolarHBondContact O-N 3.37Å; A458-C460 PolarHBondContact O-N 3.08Å
459K98.1Very high97.8Very high177 Ų17765.7 Ų65.777%0.7737%0.368SS*.THydrogen-bonded Turntrans5630.8-173.8-55.4-175.4-174.9-176.80114Q455 K456 A457Q455-K459 PolarHBondContact O-N 3.06Å; Q455-K459 VanDerWaalsContact O-N 3.12Å; K456-K459 PolarHBondContact O-N 2.84Å; K456-K459 VanDerWaalsContact O-N 3.11Å; A457-K459 PolarHBondContact O-N 2.75Å
460C98Very high97.8Very high0 Ų063.7 Ų63.70%036%0.356CS..  trans-144.9108.3179.7173.20000110.2I435 F439 Q455 A458I435-C460 HydrophobicContact CG1-CB 4.41Å; I435-C460 WeakPolarHBondContact O-CB 3.26Å; F439-C460 HydrophobicContact CE2-CB 3.78Å; F439-C460 HydrophobicContact CZ-CB 4.48Å; F439-C460 WeakPolarHBondContact CZ-O 3.26Å; Q455-C460 WeakPolarHBondContact CB-O 3.38Å; Q455-C460 PolarHBondContact O-N 2.86Å; A458-C460 PolarHBondContact O-N 3.08Å
461I98.1Very high97.8Very high52 Ų5265.4 Ų65.427%0.26737%0.366SS..  trans-90.8124.7175.2-49.6-55.7000109.8Q455 K456 V464 H465Q455-I461 HydrophobicContact CB-CD1 3.83Å; K456-I461 HydrophobicContact CG-CD1 3.82Å; I461-V464 HydrophobicContact CB-CB 4.31Å; I461-V464 HydrophobicContact CB-CG2 4.47Å; I461-V464 HydrophobicContact CG2-CG2 4.2Å; I461-V464 PolarHBondContact O-N 3.33Å; I461-V464 VanDerWaalsContact O-N 3.16Å; I461-H465 PolarHBondContact N-ND1 2.82Å; I461-H465 VanDerWaalsContact N-ND1 3.15Å; I461-H465 PolarHBondContact O-N 3.01Å; I461-H465 PolarHBondContact O-ND1 2.97Å
462V97.9Very high97.8Very high15 Ų1566 Ų669%0.09137%0.366CS..BIsolated β-bridgetrans-73131.8-179.7-177.40000110.3F439 P447 W448 Y466 K468F439-V462 HydrophobicContact CZ-CG2 4.21Å; P447-V462 HydrophobicContact CB-CG2 3.93Å; P447-V462 HydrophobicContact CG-CG2 4.44Å; W448-V462 HydrophobicContact CB-CG1 4.28Å; V462-Y466 CarbonylContact C-O 3.58Å; V462-Y466 WeakPolarHBondContact CA-O 3.37Å; V462-K468 HydrophobicContact CG1-CG 4.06Å
463G96.3Very high97.8Very high42 Ų4261.4 Ų61.443%0.43334%0.344SS..THydrogen-bonded Turntrans86.80.7-168.200000114.6Y466G463-Y466 PolarHBondContact N-O 3.32Å
464V96.9Very high97.7Very high113 Ų11361.1 Ų61.169%0.68534%0.341SS*.THydrogen-bonded Turntrans-127.1-53.5174.4-178.20000111.4I461I461-V464 HydrophobicContact CB-CB 4.31Å; I461-V464 HydrophobicContact CB-CG2 4.47Å; I461-V464 HydrophobicContact CG2-CG2 4.2Å; I461-V464 PolarHBondContact O-N 3.33Å; I461-V464 VanDerWaalsContact O-N 3.16Å
465H97.8Very high97.6Very high102 Ų10265.2 Ų65.247%0.47236%0.358SS..THydrogen-bonded Turntrans-101.2-25.3-176.1-54.779.5000112.6I435 I461I435-H465 HydrophobicContact CD1-CB 4.33Å; I435-H465 HydrophobicContact CG1-CB 4.29Å; I461-H465 PolarHBondContact N-ND1 2.82Å; I461-H465 VanDerWaalsContact N-ND1 3.15Å; I461-H465 PolarHBondContact O-N 3.01Å; I461-H465 PolarHBondContact O-ND1 2.97Å
466Y98.4Very high97.6Very high11 Ų1165 Ų654%0.04336%0.36CS..BIsolated β-bridgetrans-141.3136.1175.7177.9-101000107.7G336 F337 P338 D341 L433 I435 L436 P447 V462 G463G336-Y466 WeakPolarHBondContact CA-OH 3.44Å; G336-Y466 PolarHBondContact O-OH 2.7Å; F337-Y466 VanDerWaalsContact C-OH 3.23Å; F337-Y466 PolarHBondContact N-OH 2.88Å; P338-Y466 VanDerWaalsContact CA-OH 3.32Å; P338-Y466 WeakPolarHBondContact CA-OH 3.24Å; P338-Y466 VanDerWaalsContact CD-OH 3.32Å; P338-Y466 WeakPolarHBondContact CD-OH 3.29Å; P338-Y466 HydrophobicContact CG-CE1 3.9Å; P338-Y466 WeakPolarHBondContact CG-OH 3.38Å; D341-Y466 PolarHBondContact OD2-OH 3.4Å; L433-Y466 HydrophobicContact CD1-CE2 4.23Å; I435-Y466 HydrophobicContact CG2-CD2 4.36Å; L436-Y466 HydrophobicContact CD1-CD1 4.43Å; L436-Y466 HydrophobicContact CD1-CD2 4.18Å; L436-Y466 HydrophobicContact CD1-CE1 4.23Å; L436-Y466 HydrophobicContact CD1-CE2 4.03Å; L436-Y466 HydrophobicContact CD1-CG 4.4Å; L436-Y466 HydrophobicContact CD2-CD1 3.97Å; L436-Y466 HydrophobicContact CD2-CD2 4.23Å; L436-Y466 HydrophobicContact CD2-CG 3.8Å; L436-Y466 HydrophobicContact CG-CD2 4.29Å; L436-Y466 HydrophobicContact CG-CG 4.36Å; P447-Y466 HydrophobicContact CG-CD1 4.18Å; P447-Y466 HydrophobicContact CG-CE1 3.98Å; V462-Y466 CarbonylContact C-O 3.58Å; V462-Y466 WeakPolarHBondContact CA-O 3.37Å; G463-Y466 PolarHBondContact N-O 3.32Å
467P98.2Very high97.5Very high46 Ų4659.8 Ų59.830%0.29934%0.34SS..PPolyproline II helixtrans-59.9154.2-17419.2-31000113.9Q334Q334-P467 HydrophobicContact CB-CG 4.33Å
468K98.3Very high97.3Very high144 Ų14460 Ų6063%0.62634%0.336SS*.PPolyproline II helixtrans-69.6151.6163.9-72.3177.6-179.2178.80109V462 M470V462-K468 HydrophobicContact CG1-CG 4.06Å; K468-M470 PolarHBondContact O-N 2.92Å
469P98.4Very high97.3Very high37 Ų3764 Ų6424%0.2436%0.355CS..PPolyproline II helixtrans-55.9125.7175.224.8-35.2000110F337 W448 V471F337-P469 HydrophobicContact CD2-CB 4.17Å; F337-P469 HydrophobicContact CE1-CB 4.32Å; F337-P469 HydrophobicContact CE2-CB 3.6Å; F337-P469 HydrophobicContact CZ-CB 3.69Å; W448-P469 HydrophobicContact CB-CG 4.39Å; W448-P469 HydrophobicContact CD2-CB 4.34Å; W448-P469 HydrophobicContact CD2-CG 3.69Å; W448-P469 HydrophobicContact CE3-CB 4.13Å; W448-P469 HydrophobicContact CE3-CG 3.88Å; W448-P469 HydrophobicContact CG-CG 3.92Å; W448-P469 HydrophobicContact CH2-CB 4.5Å; W448-P469 HydrophobicContact CZ3-CB 4.23Å; W448-P469 HydrophobicContact CZ3-CG 4.44Å; P469-V471 PolarHBondContact O-N 2.92Å
470M98.1Very high97.3Very high47 Ų4755.9 Ų55.923%0.23232%0.319CS..SBendtrans-69.4-15.2-172.865.3-174.9-6500114.5A326 K329 T335 F364 L370 K468A326-M470 HydrophobicContact CB-CE 3.59Å; K329-M470 HydrophobicContact CB-CE 4.17Å; K329-M470 HydrophobicContact CB-SD 4.27Å; K329-M470 HydrophobicContact CD-CE 4.28Å; T335-M470 VanDerWaalsContact CA-SD 3.58Å; T335-M470 VanDerWaalsContact CB-SD 3.54Å; T335-M470 HydrophobicContact CG2-SD 3.72Å; T335-M470 WeakPolarHBondContact O-CB 3.34Å; T335-M470 WeakPolarHBondContact O-CG 3.25Å; T335-M470 PolarHBondContact O-N 3.08Å; F364-M470 HydrophobicContact CE1-SD 4.08Å; F364-M470 HydrophobicContact CZ-CG 4.4Å; F364-M470 HydrophobicContact CZ-SD 4.3Å; L370-M470 HydrophobicContact CD1-CE 3.92Å; L370-M470 HydrophobicContact CD1-SD 4.16Å; L370-M470 HydrophobicContact CD2-CE 3.52Å; L370-M470 HydrophobicContact CD2-CG 4.25Å; L370-M470 HydrophobicContact CD2-SD 3.84Å; L370-M470 HydrophobicContact CG-CE 4.39Å; K468-M470 PolarHBondContact O-N 2.92Å
471V97.9Very high97.1Very high40 Ų4057.6 Ų57.624%0.24233%0.33CS..SBendtrans-145.9157.7178.6-670000110.5F337 F364 D369 L370 P469 H473 A476F337-V471 HydrophobicContact CE2-CG2 3.95Å; F337-V471 HydrophobicContact CZ-CG2 4.29Å; F337-V471 WeakPolarHBondContact CZ-O 3.32Å; F364-V471 HydrophobicContact CZ-CG2 4.34Å; D369-V471 HydrophobicContact CB-CG2 4.26Å; L370-V471 HydrophobicContact CD2-CG1 3.94Å; L370-V471 HydrophobicContact CD2-CG2 4.42Å; P469-V471 PolarHBondContact O-N 2.92Å; V471-H473 PolarHBondContact O-N 2.82Å; V471-A476 HydrophobicContact CB-CB 4.46Å
472N98.1Very high96.9Very high80 Ų8058.6 Ų58.643%0.42833%0.333SS..  trans-83.9106.2162-176.8-11.9000109.3A474 E475 A476N472-A474 VanDerWaalsContact C-N 3.27Å; N472-A474 PolarHBondContact O-N 3.32Å; N472-A474 PolarHBondContact OD1-N 3.23Å; N472-A474 VanDerWaalsContact OD1-N 3.15Å; N472-E475 HydrophobicContact CB-CB 4.25Å; N472-E475 HydrophobicContact CB-CG 4.4Å; N472-E475 WeakPolarHBondContact CB-OE2 3.2Å; N472-E475 PolarHBondContact ND2-OE1 3.21Å; N472-E475 PolarHBondContact ND2-OE2 3.18Å; N472-E475 PolarHBondContact O-N 3Å; N472-A476 WeakPolarHBondContact O-CB 3.49Å; N472-A476 PolarHBondContact O-N 3.24Å
473H96.8Very high96.8Very high31 Ų3161.9 Ų61.914%0.14434%0.344CS..Hα-helixtrans-53.6-39.4-178.3172.261.8000113.7F337 D369 C414 P415 V471 S477F337-H473 HydrophobicContact CE1-CB 4.32Å; F337-H473 HydrophobicContact CZ-CB 4.31Å; D369-H473 IonicContact OD1-CE1 2.67Å; D369-H473 IonicContact OD1-CG 3.63Å; D369-H473 IonicContact OD1-ND1 2.76Å; D369-H473 PolarHBondContact OD1-ND1 2.8Å; D369-H473 IonicContact OD2-ND1 3.23Å; C414-H473 WeakPolarHBondContact CA-NE2 3.49Å; P415-H473 WeakPolarHBondContact CD-CE1 3.49Å; P415-H473 VanDerWaalsContact CD-ND1 3.31Å; P415-H473 WeakPolarHBondContact CD-ND1 3.47Å; P415-H473 HydrophobicContact CG-CB 4.34Å; V471-H473 PolarHBondContact O-N 2.82Å; H473-S477 VanDerWaalsContact O-CB 3.26Å; H473-S477 WeakPolarHBondContact O-CB 3.43Å; H473-S477 PolarHBondContact O-N 2.75Å; H473-S477 PolarHBondContact O-OG 3.36Å
474A95.3Very high96.6Very high66 Ų6660 Ų6055%0.54532%0.324SS..Hα-helixtrans-68.5-39.7-176.200000112N472 C478N472-A474 VanDerWaalsContact C-N 3.27Å; N472-A474 PolarHBondContact O-N 3.32Å; N472-A474 PolarHBondContact OD1-N 3.23Å; N472-A474 VanDerWaalsContact OD1-N 3.15Å; A474-C478 VanDerWaalsContact O-CB 3.26Å; A474-C478 WeakPolarHBondContact O-CB 3.31Å; A474-C478 PolarHBondContact O-N 3.39Å
475E97.3Very high96.4Very high121 Ų12158.1 Ų58.157%0.56531%0.307SS*.Hα-helixtrans-73.9-50.1176.3-69.8162.3-164.100111N472 S477 C478 I479N472-E475 HydrophobicContact CB-CB 4.25Å; N472-E475 HydrophobicContact CB-CG 4.4Å; N472-E475 WeakPolarHBondContact CB-OE2 3.2Å; N472-E475 PolarHBondContact ND2-OE1 3.21Å; N472-E475 PolarHBondContact ND2-OE2 3.18Å; N472-E475 PolarHBondContact O-N 3Å; E475-S477 PolarHBondContact O-N 3.25Å; E475-C478 PolarHBondContact O-N 3.1Å; E475-I479 WeakPolarHBondContact O-CG1 3.22Å; E475-I479 PolarHBondContact O-N 3.34Å
476A97Very high96.1Very high17 Ų1757.9 Ų57.914%0.1431%0.306CS..Hα-helixtrans-59.8-49.2-177.400000112V471 N472 C478 I479 N480V471-A476 HydrophobicContact CB-CB 4.46Å; N472-A476 WeakPolarHBondContact O-CB 3.49Å; N472-A476 PolarHBondContact O-N 3.24Å; A476-C478 VanDerWaalsContact C-N 3.35Å; A476-C478 PolarHBondContact O-N 3.14Å; A476-I479 PolarHBondContact O-N 2.92Å; A476-N480 WeakPolarHBondContact O-CB 3.49Å; A476-N480 PolarHBondContact O-N 2.86Å; A476-N480 PolarHBondContact O-ND2 3.05Å
477S94.9Very high95.8Very high20 Ų2058.1 Ų58.114%0.1431%0.308CS..Hα-helixtrans-67.7-32.6179.564.50000113.4G368 H473 E475 V481G368-S477 WeakPolarHBondContact O-CA 3.18Å; G368-S477 WeakPolarHBondContact O-CB 3.37Å; H473-S477 VanDerWaalsContact O-CB 3.26Å; H473-S477 WeakPolarHBondContact O-CB 3.43Å; H473-S477 PolarHBondContact O-N 2.75Å; H473-S477 PolarHBondContact O-OG 3.36Å; E475-S477 PolarHBondContact O-N 3.25Å; S477-V481 WeakPolarHBondContact O-CB 3.35Å; S477-V481 VanDerWaalsContact O-CG2 3.24Å; S477-V481 WeakPolarHBondContact O-CG2 3.42Å; S477-V481 PolarHBondContact O-N 3.32Å
478C95.4Very high95.3Very high89 Ų8957.5 Ų57.560%0.60130%0.3SS*.Hα-helixtrans-63.4-48.5172.9-175.30000111.3A474 E475 A476 E482A474-C478 VanDerWaalsContact O-CB 3.26Å; A474-C478 WeakPolarHBondContact O-CB 3.31Å; A474-C478 PolarHBondContact O-N 3.39Å; E475-C478 PolarHBondContact O-N 3.1Å; A476-C478 VanDerWaalsContact C-N 3.35Å; A476-C478 PolarHBondContact O-N 3.14Å; C478-E482 PolarHBondContact O-N 3.44Å
479I97.1Very high94.8Very high94 Ų9455.3 Ų55.348%0.48229%0.292SS..Hα-helixtrans-60.9-46.8176.7-67.6165.3000110.8E475 A476 E482 R483E475-I479 WeakPolarHBondContact O-CG1 3.22Å; E475-I479 PolarHBondContact O-N 3.34Å; A476-I479 PolarHBondContact O-N 2.92Å; I479-E482 PolarHBondContact O-N 2.88Å; I479-R483 HydrophobicContact CG2-CG 4.4Å; I479-R483 WeakPolarHBondContact O-CG 3.38Å; I479-R483 PolarHBondContact O-N 3.35Å
480N96.3Very high94.2Very high6 Ų659.5 Ų59.53%0.03231%0.308CS..Hα-helixtrans-68.5-35.3-176.6-68.9-23.3000113R367 G368 D369 W371 A476 R483 M484R367-N480 WeakPolarHBondContact O-CB 3.43Å; G368-N480 PolarHBondContact O-ND2 3.21Å; D369-N480 PolarHBondContact O-ND2 2.77Å; W371-N480 HydrophobicContact CE3-CB 3.72Å; W371-N480 HydrophobicContact CZ3-CB 3.86Å; W371-N480 WeakPolarHBondContact CZ3-O 3.14Å; A476-N480 WeakPolarHBondContact O-CB 3.49Å; A476-N480 PolarHBondContact O-N 2.86Å; A476-N480 PolarHBondContact O-ND2 3.05Å; N480-R483 PolarHBondContact O-N 3.02Å; N480-M484 PolarHBondContact O-N 3.16Å
481V93.9Very high93.4Very high37 Ų3760.1 Ų60.122%0.22431%0.312CS..Hα-helixtrans-65.1-39.9172.7167.70000111.2S477 M484 K485S477-V481 WeakPolarHBondContact O-CB 3.35Å; S477-V481 VanDerWaalsContact O-CG2 3.24Å; S477-V481 WeakPolarHBondContact O-CG2 3.42Å; S477-V481 PolarHBondContact O-N 3.32Å; V481-M484 PolarHBondContact O-N 3.18Å; V481-K485 WeakPolarHBondContact O-CB 3.22Å; V481-K485 PolarHBondContact O-N 3.39Å
482E94.8Very high91.9Very high72 Ų7261.6 Ų61.634%0.33632%0.324SS..Hα-helixtrans-70-39175.5-171.258.9-148.200111.9C478 I479 M484 K485 Q486C478-E482 PolarHBondContact O-N 3.44Å; I479-E482 PolarHBondContact O-N 2.88Å; E482-M484 PolarHBondContact O-N 3.39Å; E482-K485 WeakPolarHBondContact O-CB 3.39Å; E482-K485 PolarHBondContact O-N 3.36Å; E482-K485 IonicContact OE1-NZ 3.6Å; E482-K485 PolarHBondContact OE1-NZ 3.41Å; E482-K485 IonicContact OE2-NZ 3.01Å; E482-K485 PolarHBondContact OE2-NZ 3.46Å; E482-Q486 WeakPolarHBondContact O-CG 3.38Å; E482-Q486 PolarHBondContact O-N 2.94Å
483R95.3Very high90Very high85 Ų8562.1 Ų62.132%0.32133%0.333SS..Hα-helixtrans-54.8-50.5170.4-73.2176.3173.1-165.5-4.9111.2D321 W371 I479 N480 K485 Q486 I487D321-R483 IonicContact OD2-CZ 3.75Å; D321-R483 IonicContact OD2-NH1 3.76Å; D321-R483 PolarHBondContact OD2-NH1 3.07Å; D321-R483 IonicContact OD2-NH2 2.86Å; W371-R483 HydrophobicContact CH2-CB 3.42Å; W371-R483 VanDerWaalsContact CH2-CB 3.42Å; W371-R483 HydrophobicContact CH2-CG 4.46Å; W371-R483 HydrophobicContact CZ2-CB 3.7Å; W371-R483 HydrophobicContact CZ2-CG 4.42Å; W371-R483 HydrophobicContact CZ3-CB 3.94Å; I479-R483 HydrophobicContact CG2-CG 4.4Å; I479-R483 WeakPolarHBondContact O-CG 3.38Å; I479-R483 PolarHBondContact O-N 3.35Å; N480-R483 PolarHBondContact O-N 3.02Å; R483-K485 VanDerWaalsContact C-N 3.33Å; R483-K485 PolarHBondContact O-N 2.93Å; R483-Q486 PolarHBondContact O-N 3.36Å; R483-I487 WeakPolarHBondContact O-CD1 3.45Å; R483-I487 WeakPolarHBondContact O-CG1 3.39Å; R483-I487 PolarHBondContact O-N 3.15Å; R483-I487 VanDerWaalsContact O-N 3.08Å
484M93.4Very high87.9Confident2 Ų269.9 Ų69.91%0.0136%0.363CS..Hα-helixtrans-61.4-39.5177.5-78.5-50.6-47.600112.8I318 R367 W371 F409 N480 V481 E482 I487 Y488I318-M484 HydrophobicContact CD1-CE 3.84Å; I318-M484 HydrophobicContact CD1-SD 3.92Å; R367-M484 HydrophobicContact CB-CG 4.1Å; R367-M484 HydrophobicContact CB-SD 4.49Å; W371-M484 HydrophobicContact CH2-CB 4.5Å; W371-M484 HydrophobicContact CH2-CG 3.66Å; W371-M484 HydrophobicContact CH2-SD 3.44Å; W371-M484 WeakPolarHBondContact CH2-SD 3.42Å; W371-M484 HydrophobicContact CZ2-SD 4.38Å; W371-M484 HydrophobicContact CZ3-CG 3.77Å; W371-M484 HydrophobicContact CZ3-SD 3.97Å; F409-M484 HydrophobicContact CB-CB 4.18Å; F409-M484 HydrophobicContact CB-CG 4.27Å; F409-M484 HydrophobicContact CD1-CB 4.41Å; F409-M484 HydrophobicContact CD2-CB 3.44Å; F409-M484 VanDerWaalsContact CD2-CB 3.44Å; F409-M484 HydrophobicContact CD2-CG 4.35Å; F409-M484 HydrophobicContact CE2-CB 3.87Å; F409-M484 HydrophobicContact CG-CB 3.75Å; F409-M484 HydrophobicContact CG-CG 4.38Å; N480-M484 PolarHBondContact O-N 3.16Å; V481-M484 PolarHBondContact O-N 3.18Å; E482-M484 PolarHBondContact O-N 3.39Å; M484-I487 PolarHBondContact O-N 3.31Å; M484-I487 HydrophobicContact SD-CD1 4.25Å; M484-Y488 HydrophobicContact CE-CD2 3.65Å; M484-Y488 HydrophobicContact CE-CE2 3.36Å; M484-Y488 WeakPolarHBondContact O-CD2 3.39Å; M484-Y488 PolarHBondContact O-N 3.41Å
485K91.8Very high85.8Confident74 Ų7473.9 Ų73.932%0.32236%0.363SS..Hα-helixtrans-61.7-44.5176.7175.9170.3151.4-106.10111.8F409 V481 E482 R483 Y488 Q489F409-K485 HydrophobicContact CE2-CB 3.91Å; F409-K485 HydrophobicContact CZ-CB 3.99Å; V481-K485 WeakPolarHBondContact O-CB 3.22Å; V481-K485 PolarHBondContact O-N 3.39Å; E482-K485 WeakPolarHBondContact O-CB 3.39Å; E482-K485 PolarHBondContact O-N 3.36Å; E482-K485 IonicContact OE1-NZ 3.6Å; E482-K485 PolarHBondContact OE1-NZ 3.41Å; E482-K485 IonicContact OE2-NZ 3.01Å; E482-K485 PolarHBondContact OE2-NZ 3.46Å; R483-K485 VanDerWaalsContact C-N 3.33Å; R483-K485 PolarHBondContact O-N 2.93Å; K485-Y488 PolarHBondContact O-N 2.83Å; K485-Q489 WeakPolarHBondContact O-CB 3.49Å; K485-Q489 VanDerWaalsContact O-CG 3.24Å; K485-Q489 WeakPolarHBondContact O-CG 3.29Å; K485-Q489 PolarHBondContact O-N 3.26Å
486Q92.6Very high83.1Confident96 Ų9671.1 Ų71.145%0.44937%0.367SS..Hα-helixtrans-62.7-43.1176.6-69.9172.29.700111.9E482 R483 Q489 Q490E482-Q486 WeakPolarHBondContact O-CG 3.38Å; E482-Q486 PolarHBondContact O-N 2.94Å; R483-Q486 PolarHBondContact O-N 3.36Å; Q486-Q489 PolarHBondContact O-N 2.93Å; Q486-Q490 WeakPolarHBondContact O-CG 3.29Å; Q486-Q490 PolarHBondContact O-N 2.98Å
487I91.5Very high80.5Confident17 Ų1778.5 Ų78.59%0.08740%0.404CS..Hα-helixtrans-59.6-49.9176.1-68.1159.2000111V316 I318 P319 W371 R483 M484 Q489 Q490 L491V316-I487 HydrophobicContact CG1-CG2 4.17Å; I318-I487 HydrophobicContact CG1-CD1 4.45Å; I318-I487 HydrophobicContact CG1-CG2 4.42Å; I318-I487 HydrophobicContact CG2-CD1 3.9Å; P319-I487 HydrophobicContact CG-CD1 4.46Å; W371-I487 HydrophobicContact CH2-CD1 4.06Å; W371-I487 HydrophobicContact CZ2-CD1 3.79Å; R483-I487 WeakPolarHBondContact O-CD1 3.45Å; R483-I487 WeakPolarHBondContact O-CG1 3.39Å; R483-I487 PolarHBondContact O-N 3.15Å; R483-I487 VanDerWaalsContact O-N 3.08Å; M484-I487 PolarHBondContact O-N 3.31Å; M484-I487 HydrophobicContact SD-CD1 4.25Å; I487-Q489 PolarHBondContact O-N 3.38Å; I487-Q490 PolarHBondContact O-N 3.18Å; I487-L491 HydrophobicContact CG2-CD1 3.85Å; I487-L491 VanDerWaalsContact O-CG 3.31Å; I487-L491 WeakPolarHBondContact O-CG 3.42Å; I487-L491 PolarHBondContact O-N 2.8Å
488Y87.6Confident77.9Confident33 Ų3379.6 Ų79.613%0.12942%0.419CS..Hα-helixtrans-68.9-31.3179.4-85.8-68.8000113.7C402 F406 Q407 F409 M484 K485 L491 S492C402-Y488 PolarHBondContact O-OH 3.07Å; F406-Y488 PolarHBondContact O-OH 2.83Å; Q407-Y488 HydrophobicContact CB-CE1 4.35Å; Q407-Y488 HydrophobicContact CG-CE1 4.01Å; F409-Y488 AromaticContact CD1-CD2 3.36Å; F409-Y488 HydrophobicContact CD1-CD2 3.36Å; F409-Y488 AromaticContact CD1-CE2 3.49Å; F409-Y488 HydrophobicContact CD1-CE2 3.49Å; F409-Y488 VanDerWaalsContact CD1-CE2 3.49Å; F409-Y488 HydrophobicContact CD1-CG 4.36Å; F409-Y488 AromaticContact CE1-CD2 3.33Å; F409-Y488 HydrophobicContact CE1-CD2 3.33Å; F409-Y488 AromaticContact CE1-CE2 3.95Å; F409-Y488 HydrophobicContact CE1-CE2 3.95Å; F409-Y488 AromaticContact CE1-CG 3.97Å; F409-Y488 HydrophobicContact CE1-CG 3.97Å; F409-Y488 HydrophobicContact CG-CD2 4.37Å; F409-Y488 HydrophobicContact CG-CE2 4.4Å; F409-Y488 HydrophobicContact CZ-CD2 4.3Å; M484-Y488 HydrophobicContact CE-CD2 3.65Å; M484-Y488 HydrophobicContact CE-CE2 3.36Å; M484-Y488 WeakPolarHBondContact O-CD2 3.39Å; M484-Y488 PolarHBondContact O-N 3.41Å; K485-Y488 PolarHBondContact O-N 2.83Å; Y488-L491 HydrophobicContact CD1-CD1 4Å; Y488-L491 HydrophobicContact CE1-CD1 4.31Å; Y488-S492 WeakPolarHBondContact O-CB 3.25Å; Y488-S492 PolarHBondContact O-N 3.33Å
489Q88Confident75.2Confident97 Ų9783.6 Ų83.645%0.45343%0.433SS..Hα-helixtrans-61.2-50.5169.6-77.6173.4-18.700110.8K485 Q486 I487 L491 S492 C493K485-Q489 WeakPolarHBondContact O-CB 3.49Å; K485-Q489 VanDerWaalsContact O-CG 3.24Å; K485-Q489 WeakPolarHBondContact O-CG 3.29Å; K485-Q489 PolarHBondContact O-N 3.26Å; Q486-Q489 PolarHBondContact O-N 2.93Å; I487-Q489 PolarHBondContact O-N 3.38Å; Q489-L491 PolarHBondContact O-N 3.06Å; Q489-S492 PolarHBondContact O-N 3.25Å; Q489-S492 VanDerWaalsContact O-N 3.09Å; Q489-S492 PolarHBondContact O-OG 3.24Å; Q489-C493 PolarHBondContact O-N 3.05Å; Q489-C493 PolarHBondContact O-SG 3.01Å
490Q84.4Confident72.2Confident125 Ų12585.1 Ų85.158%0.58444%0.442SS*.Hα-helixtrans-58.2-45.7176.8-70.6173.12.300111.9Q486 I487 S492 C493 Y494Q486-Q490 WeakPolarHBondContact O-CG 3.29Å; Q486-Q490 PolarHBondContact O-N 2.98Å; I487-Q490 PolarHBondContact O-N 3.18Å; Q490-S492 VanDerWaalsContact C-N 3.29Å; Q490-S492 PolarHBondContact O-N 2.86Å; Q490-C493 WeakPolarHBondContact O-CB 3.25Å; Q490-C493 PolarHBondContact O-N 3.09Å; Q490-C493 VanDerWaalsContact O-N 3.14Å; Q490-Y494 WeakPolarHBondContact O-CD2 3.48Å; Q490-Y494 PolarHBondContact O-N 2.86Å
491L81.1Confident69.3Low60 Ų6089.2 Ų89.231%0.31448%0.476SS..Hα-helixtrans-59.8-37.7175.4-69.2163.6000112.7V316 I487 Y488 Q489 Y494 R495V316-L491 HydrophobicContact CG1-CD1 3.42Å; V316-L491 VanDerWaalsContact CG1-CD1 3.42Å; V316-L491 HydrophobicContact CG2-CD1 4.29Å; I487-L491 HydrophobicContact CG2-CD1 3.85Å; I487-L491 VanDerWaalsContact O-CG 3.31Å; I487-L491 WeakPolarHBondContact O-CG 3.42Å; I487-L491 PolarHBondContact O-N 2.8Å; Y488-L491 HydrophobicContact CD1-CD1 4Å; Y488-L491 HydrophobicContact CE1-CD1 4.31Å; Q489-L491 PolarHBondContact O-N 3.06Å; L491-Y494 PolarHBondContact O-N 3.06Å; L491-R495 WeakPolarHBondContact O-CG 3.34Å; L491-R495 PolarHBondContact O-N 3.18Å
492S68.1Low66.6Low72 Ų7294 Ų9450%0.50351%0.506SS..Hα-helixtrans-68.6-37.3175.578.50000112.2Y488 Q489 Q490 R495 G496Y488-S492 WeakPolarHBondContact O-CB 3.25Å; Y488-S492 PolarHBondContact O-N 3.33Å; Q489-S492 PolarHBondContact O-N 3.25Å; Q489-S492 VanDerWaalsContact O-N 3.09Å; Q489-S492 PolarHBondContact O-OG 3.24Å; Q490-S492 VanDerWaalsContact C-N 3.29Å; Q490-S492 PolarHBondContact O-N 2.86Å; S492-R495 PolarHBondContact O-N 2.98Å; S492-G496 PolarHBondContact O-N 3.13Å
493C58Low63.6Low91 Ų9196.9 Ų96.962%0.61553%0.528SS*.Hα-helixtrans-66.3-41.1173.8-63.90000111.9Q489 Q490 G496Q489-C493 PolarHBondContact O-N 3.05Å; Q489-C493 PolarHBondContact O-SG 3.01Å; Q490-C493 WeakPolarHBondContact O-CB 3.25Å; Q490-C493 PolarHBondContact O-N 3.09Å; Q490-C493 VanDerWaalsContact O-N 3.14Å; C493-G496 WeakPolarHBondContact O-CA 3.28Å; C493-G496 PolarHBondContact O-N 2.67Å; C493-G496 VanDerWaalsContact O-N 3.13Å
494Y52.3Low60.5Low194 Ų19498.4 Ų98.476%0.76155%0.549SS*.Hα-helixtrans-65.7-40.8174.7-90.8-84.6000112.6Q490 L491 G496 L497Q490-Y494 WeakPolarHBondContact O-CD2 3.48Å; Q490-Y494 PolarHBondContact O-N 2.86Å; L491-Y494 PolarHBondContact O-N 3.06Å; Y494-G496 PolarHBondContact O-N 3.12Å; Y494-L497 PolarHBondContact O-N 3.36Å
495R50.5Low57.5Low149 Ų149103.7 Ų103.756%0.56259%0.586SS**Hα-helixtrans-72.7-15.5171.4-67.1-169.7-174.6-156.30.6113.3L491 S492 L497 G498L491-R495 WeakPolarHBondContact O-CG 3.34Å; L491-R495 PolarHBondContact O-N 3.18Å; S492-R495 PolarHBondContact O-N 2.98Å; R495-L497 PolarHBondContact O-N 2.89Å; R495-L497 VanDerWaalsContact O-N 3.15Å; R495-G498 CarbonylContact O-C 3.57Å; R495-G498 PolarHBondContact O-N 3.23Å
496G41Very low54.4Low63 Ų63108.2 Ų108.265%0.64961%0.614SS**THydrogen-bonded Turntrans-64.7-8.3172.200000114.8S492 C493 Y494S492-G496 PolarHBondContact O-N 3.13Å; C493-G496 WeakPolarHBondContact O-CA 3.28Å; C493-G496 PolarHBondContact O-N 2.67Å; C493-G496 VanDerWaalsContact O-N 3.13Å; Y494-G496 PolarHBondContact O-N 3.12Å
497L42.7Very low51.3Low172 Ų172109 Ų10990%0.90163%0.629SS**THydrogen-bonded Turntrans-107.98.6170.3-81.5160.6000113.5Y494 R495Y494-L497 PolarHBondContact O-N 3.36Å; R495-L497 PolarHBondContact O-N 2.89Å; R495-L497 VanDerWaalsContact O-N 3.15Å
498G40Very low48.3Very low44 Ų44116.7 Ų116.745%0.45467%0.671SS.*SBendtrans-162.790.2-178.900000114.4R495R495-G498 CarbonylContact O-C 3.57Å; R495-G498 PolarHBondContact O-N 3.23Å
499L39.7Very low45.4Very low172 Ų172118.4 Ų118.490%0.90170%0.699SS**  trans38.993.4167.9-76.888.6000117.5
500L33.9Very low42.5Very low127 Ų127122.1 Ų122.167%0.66572%0.722SS**  trans-145.191.7148.1-95.8-175.9000112.2
501A34.9Very low39.7Very low92 Ų92119.3 Ų119.376%0.7673%0.727SS**  trans-133.893.5160.500000108.5
502T36.8Very low37.1Very low137 Ų137124.1 Ų124.184%0.8475%0.753SS**  trans-18061.2163.721.30000112.7
503V31.1Very low35.1Very low132 Ų132128.1 Ų128.180%0.877%0.768SS**  trans-139.5119.3149.3-173.70000107.3
504P31.2Very low33.5Very low117 Ų117133 Ų13376%0.7678%0.782SS**  trans-73.5128.7179.3-16.230.6000111.8
505S29.9Very low32.2Very low114 Ų114130.1 Ų130.180%0.79779%0.785SS**  trans-79.9113.1166.6-55.70000109.4S507S505-S507 PolarHBondContact O-N 3.34Å
506N26.5Very low31.2Very low169 Ų169129 Ų12990%0.90480%0.797SS**  trans-7295.7171.4-96.312.2000110.3
507S28.3Very low30.4Very low111 Ų111130.6 Ų130.678%0.77680%0.798SS**  trans-87.998.6167.754.90000110.4S505 G509S505-S507 PolarHBondContact O-N 3.34Å; S507-G509 PolarHBondContact O-N 3.24Å
508N27.7Very low29.6Very low179 Ų179130.1 Ų130.196%0.95780%0.797SS**  trans-75.8102.5164-115.615.9000108.2
509G27Very low28.9Very low70 Ų70131.7 Ų131.772%0.72281%0.813SS**  trans-131116178.500000110.4S507S507-G509 PolarHBondContact O-N 3.24Å
510N26.9Very low28.1Very low174 Ų174133 Ų13393%0.9382%0.817SS**  trans-73.4130.3-177.9-158.634.3000110.3
511G26.1Very low27.7Very low67 Ų67130.7 Ų130.769%0.69182%0.823SS**  trans-156132.6-178.100000111.8
512N26.2Very low27.1Very low160 Ų160136.5 Ų136.586%0.85683%0.832SS**  trans-76.9166.4-169.5-72.6-31000114.3
513N26.1Very low26.5Very low156 Ų156135.4 Ų135.483%0.83483%0.83SS**  trans-36.9139.2165.2-65.3-19.6000114
514E25.6Very low26.2Very low194 Ų194132.7 Ų132.791%0.90782%0.821SS**  -168137112.5-103.6166.3-159.300110.9
515T24.2Very low25.9Very low134 Ų134136 Ų13682%0.82283%0.827SS**  trans-87.6157.1173.745.30000110.7
516P28.8Very low25.7Very low126 Ų126135.5 Ų135.582%0.81883%0.829SS**  -134.1166.5105.933.1-21.3000114.5
517S24Very low25.6Very low96 Ų96131.9 Ų131.967%0.67182%0.817SS**  trans-74.3161.1179.654.60000113.5
518D26.1Very low25.4Very low162 Ų162134 Ų13487%0.86682%0.815SS**  -178.8159.2109-88.4-4.7000111.6
519G24.8Very low25.3Very low77 Ų77133.4 Ų133.479%0.79480%0.803SS**  trans117.763.3162.900000118.7
520M24.7Very low25.1Very low199 Ų199136.6 Ų136.698%0.9881%0.809SS**  trans17.6131.7146.3-64.9179.1173.900121.4
521G24.3Very low24.9Very low78 Ų78132.6 Ų132.680%0.80480%0.8SS**  trans177.786.4160.400000114.8
522F22.6Very low24.7Very low215 Ų215134.3 Ų134.394%0.94381%0.807SS**  trans-68145.5178.8-84.7-101.1000114
523S24.6Very low24.5Very low114 Ų114130.7 Ų130.780%0.79780%0.8SS**  -170140.7114.7-162.90000113.5
524A25.6Very low24.3Very low75 Ų75130.1 Ų130.162%0.6280%0.802SS**  trans4.7130.2164.100000120.1
525E23.6Very low24.1Very low187 Ų187124.6 Ų124.687%0.87479%0.79SS**  56.9131.870.8-63.2-169.2146.100113.2
526A25.8Very low24.1Very low102 Ų102129.1 Ų129.184%0.84379%0.793SS**  cis-145.3178.942.900000115.6
527S23.8Very low23.7Very low93 Ų93132.4 Ų132.465%0.6580%0.797SS**  trans-127.1162.5-158.6-52.30000114.1
528H25.7Very low23.7Very low157 Ų157134.2 Ų134.273%0.72780%0.804SS**  trans70.1161.8150.6-68.3-30.4000118.2
529K24.2Very low23.5Very low166 Ų166132.1 Ų132.172%0.72280%0.799SS**  cis-170.6167.4-4.6-108.5165.2-166.6167.30107.4
530V23.1Very low23.4Very low137 Ų137133.3 Ų133.383%0.8380%0.802SS**  cis-167.1144.4-22.2101.50000109.1
531A22.9Very low23.3Very low90 Ų90134.8 Ų134.874%0.74480%0.797SS**  trans171.4120.3156.400000110.2
532A21.8Very low23.4Very low103 Ų103137.2 Ų137.285%0.85180%0.798SS**  72.9129.769.100000113.1
533A22.1Very low23.4Very low84 Ų84136 Ų13669%0.69480%0.795SS**  cis-158.5176.78.700000113.4
534T21.7Very low23.3Very low143 Ų143133.5 Ų133.588%0.87779%0.788SS**  trans60.5130.3159.548.40000118.3
535A22.6Very low23.2Very low79 Ų79136.8 Ų136.865%0.65380%0.795SS**  cis-170173.537.200000113.3
536Y22.8Very low23.2Very low228 Ų228139.2 Ų139.289%0.89480%0.796SS**  trans64.9113.1164.2-66.9-72.9000120.9
537Q20.6Very low23.1Very low195 Ų195142 Ų14291%0.91179%0.792SS**  trans-95.8133.6159.9-71.4176.3-43.900111
538V23.9Very low23.2Very low134 Ų134144.2 Ų144.281%0.81280%0.796SS**  trans-140.1134.2155.3179.20000106.4A540V538-A540 PolarHBondContact O-N 3.04Å
539P23.2Very low23.4Very low118 Ų118140.1 Ų140.177%0.76680%0.797SS**PPolyproline II helixtrans-77.4128.2-160.428.2-35.5000114.1R541P539-R541 PolarHBondContact O-N 3.28Å
540A21.9Very low23.5Very low103 Ų103136.5 Ų136.585%0.85179%0.789SS**PPolyproline II helixtrans-68.7118.516500000110.2V538V538-A540 PolarHBondContact O-N 3.04Å
541R22.8Very low23.6Very low230 Ų230137 Ų13787%0.86878%0.783SS**PPolyproline II helixtrans-80.5145.5162.8-72.7-175.1174.2-171.6-1.4109.1P539 Q543P539-R541 PolarHBondContact O-N 3.28Å; R541-Q543 PolarHBondContact O-N 3.38Å
542P25.9Very low23.7Very low128 Ų128138.8 Ų138.883%0.83178%0.778SS**PPolyproline II helixtrans-62.1132.4-177.3-1930.5000111.7G544P542-G544 PolarHBondContact O-N 3.05Å
543Q23.6Very low24Very low190 Ų190141.7 Ų141.789%0.88877%0.768SS**PPolyproline II helixtrans-67.1124165-75.6167.5-45.700108.5R541R541-Q543 PolarHBondContact O-N 3.38Å
544G22.7Very low24Very low62 Ų62145.6 Ų145.664%0.63978%0.777SS**PPolyproline II helixtrans-83.3116.2171.700000110.3P542P542-G544 PolarHBondContact O-N 3.05Å
545D23Very low24.3Very low144 Ų144147.1 Ų147.177%0.7777%0.774SS**PPolyproline II helixtrans-64.5133.1177.3-81.1-40.9000112.4Q547D545-Q547 PolarHBondContact O-N 2.71Å
546W23.3Very low24.3Very low238 Ų238149.4 Ų149.490%0.90278%0.784SS**  trans-86.979.8176-75.282.1000110.9
547Q23.8Very low24.3Very low159 Ų159145.4 Ų145.474%0.74378%0.778SS**  trans-77.5135.1174.8-69-170.2-6.400113D545D545-Q547 PolarHBondContact O-N 2.71Å
548N26.8Very low24.5Very low140 Ų140141.6 Ų141.675%0.74977%0.769SS**  trans53101156-61.3-27000119V550N548-V550 PolarHBondContact O-N 3.17Å
549G29.1Very low24.5Very low72 Ų72144.3 Ų144.374%0.74277%0.774SS**SBendtrans-73.953.8169.500000115.5
550V26.6Very low24.6Very low90 Ų90146.5 Ų146.555%0.54578%0.779SS.*SBendtrans-140.3114.5150.1177.40000105.5N548 M552N548-V550 PolarHBondContact O-N 3.17Å; V550-M552 HydrophobicContact CG1-CG 4.46Å; V550-M552 PolarHBondContact O-N 3.48Å
551M24.9Very low24.7Very low146 Ų146145.1 Ų145.172%0.71978%0.775SS**  trans-77.875.6-176.3-158.7174.6-158.400110.5Y553M551-Y553 HydrophobicContact CE-CE1 4.07Å; M551-Y553 HydrophobicContact CG-CE1 4.34Å; M551-Y553 HydrophobicContact CG-CE2 4.4Å; M551-Y553 PolarHBondContact O-N 3.24Å; M551-Y553 HydrophobicContact SD-CE1 3.97Å; M551-Y553 HydrophobicContact SD-CE2 4.43Å
552M24.5Very low24.8Very low128 Ų128139.6 Ų139.663%0.63178%0.778SS**  trans-66108.3162.2-72.5-63.9-170.200107.6F406 V550 L554F406-M552 HydrophobicContact CZ-CE 4.37Å; V550-M552 HydrophobicContact CG1-CG 4.46Å; V550-M552 PolarHBondContact O-N 3.48Å; M552-L554 PolarHBondContact O-N 3.41Å
553Y28.1Very low24.6Very low165 Ų165136.8 Ų136.865%0.64777%0.772SS**  trans-70.5101.1173.3-71.2-81.4000109.1M551 Q555M551-Y553 HydrophobicContact CE-CE1 4.07Å; M551-Y553 HydrophobicContact CG-CE1 4.34Å; M551-Y553 HydrophobicContact CG-CE2 4.4Å; M551-Y553 PolarHBondContact O-N 3.24Å; M551-Y553 HydrophobicContact SD-CE1 3.97Å; M551-Y553 HydrophobicContact SD-CE2 4.43Å; Y553-Q555 PolarHBondContact O-N 3.27Å
554L22.9Very low24.7Very low166 Ų166134.8 Ų134.887%0.86977%0.773SS**PPolyproline II helixtrans-55.5124159.3-78.7159.4000108M552 C556M552-L554 PolarHBondContact O-N 3.41Å; L554-C556 PolarHBondContact O-N 3.16Å
555Q26.6Very low24.6Very low175 Ų175143.8 Ų143.882%0.81879%0.788SS**PPolyproline II helixtrans-65126.4171.4-71.8169.6-101.600108.3Y553 D557Y553-Q555 PolarHBondContact O-N 3.27Å; Q555-D557 PolarHBondContact O-N 3.38Å
556C23.3Very low24.7Very low127 Ų127145.8 Ų145.886%0.85879%0.793SS**PPolyproline II helixtrans-74.1122.3163.1-71.70000108.5L554L554-C556 PolarHBondContact O-N 3.16Å
557D21.9Very low24.7Very low144 Ų144143.1 Ų143.177%0.7779%0.79SS**PPolyproline II helixtrans-59.6145.2162.3-75.2-48.7000110.4Q555 Q559Q555-D557 PolarHBondContact O-N 3.38Å; D557-Q559 PolarHBondContact O-N 3.36Å; D557-Q559 VanDerWaalsContact O-N 3.16Å
558P26.1Very low24.7Very low114 Ų114141.8 Ų141.874%0.7479%0.793SS**  trans-71.1110.3178.128.5-33.1000110.9N560P558-N560 PolarHBondContact O-N 3.46Å
559Q23.8Very low24.6Very low192 Ų192140.9 Ų140.990%0.89779%0.794SS**  trans-68.9114.6165.1-74.4-174.5-18.800109.9D557 G561D557-Q559 PolarHBondContact O-N 3.36Å; D557-Q559 VanDerWaalsContact O-N 3.16Å; Q559-G561 PolarHBondContact O-N 3.48Å
560N25Very low24.2Very low164 Ų164141.8 Ų141.888%0.87779%0.789SS**PPolyproline II helixtrans-67.9125.6172.8-90-23.9000111.4P558P558-N560 PolarHBondContact O-N 3.46Å
561G23.8Very low24.1Very low74 Ų74148.4 Ų148.476%0.76381%0.806SS**PPolyproline II helixtrans-86.3137167.300000111.9Q559Q559-G561 PolarHBondContact O-N 3.48Å
562A24.1Very low24Very low114 Ų114145.9 Ų145.994%0.94281%0.808SS**PPolyproline II helixtrans-53.6150.4-170.200000117.4
563G23.2Very low23.9Very low69 Ų69144.8 Ų144.871%0.71182%0.819SS**  trans-167.485.7172.200000115.4
564T24.4Very low23.7Very low148 Ų148140.6 Ų140.691%0.90883%0.827SS**  trans51.2118.3153.934.50000122.5
565R22.3Very low23.6Very low251 Ų251139.3 Ų139.395%0.94783%0.826SS**  trans-50.9124.2161.5-161.1-173.9-157176.54.1113.8
566Q24.5Very low23.4Very low186 Ų186136.2 Ų136.287%0.86982%0.823SS**  trans-156.1169.8150.7-117.2169.39.600112.5
567Q23.6Very low23.3Very low182 Ų182137.8 Ų137.885%0.8582%0.82SS**  trans-81.1152.5-150.3-70.5152.2-36.800116.3
568V23.1Very low23.3Very low131 Ų131139.4 Ų139.479%0.79483%0.825SS**  trans-80.2146.2166.2179.70000109.5
569P25.3Very low23.2Very low120 Ų120139.1 Ų139.178%0.77983%0.825SS**  -126149.2119.55.215.3000113.8
570S20.5Very low23Very low91 Ų91140.8 Ų140.864%0.63683%0.825SS**  trans-51.6153.3170.8-1790000113.7
571Y24.2Very low22.9Very low230 Ų230139.5 Ų139.590%0.90282%0.823SS**  -167.5137.9120-99.7-64.5000114.4
572A23.5Very low22.9Very low93 Ų93144.4 Ų144.477%0.76983%0.826SS**  trans58.7128.1148.100000121.8
573A22.5Very low22.8Very low104 Ų104147.2 Ų147.286%0.8683%0.825SS**  trans-78150.8166.500000112.1
574G22.9Very low22.9Very low78 Ų78149.4 Ų149.480%0.80483%0.825SS**  trans-140.395.3174.100000111.2
575T21.2Very low22.9Very low138 Ų138150.5 Ų150.585%0.84782%0.82SS**  trans-70.1134.4175.1-36.10000110
576S22.9Very low23Very low110 Ų110147.8 Ų147.877%0.76982%0.818SS**  trans-138.8126.9160.2-164.60000110.9
577M20.7Very low23Very low161 Ų161146.5 Ų146.579%0.79382%0.815SS**  trans-110.4118-173.8-175.6-172.8-61.800106.8
578M22.9Very low23.1Very low177 Ų177147.1 Ų147.187%0.87282%0.818SS**PPolyproline II helixtrans-103.9120.5175-86.1-80.7-17300109.2
579C22.2Very low23.4Very low108 Ų108143.9 Ų143.973%0.7381%0.811SS**PPolyproline II helixtrans-76.1140.9-172.8-59.20000112.4
580Y20.2Very low23.6Very low228 Ų228144.2 Ų144.289%0.89481%0.813SS**PPolyproline II helixtrans-72132.7161.2-79.6-97.8000109.9
581T23Very low23.9Very low137 Ų137146.5 Ų146.584%0.8482%0.823SS**  trans-109.9105.9161.2360000109.4
582Q23.1Very low24.1Very low176 Ų176142.6 Ų142.682%0.82282%0.816SS**  trans-74.1140.8163.1-70175.8-29.700108.9
583N23Very low24.3Very low174 Ų174147.1 Ų147.193%0.9382%0.822SS**  trans-140.9129.7159.9-118-9.4000108.3
584T24.4Very low24.5Very low114 Ų114151.7 Ų151.770%0.69982%0.822SS**  trans-130141.6-166.2-19.90000110.7
585Q24.3Very low24.7Very low172 Ų172151.4 Ų151.480%0.80482%0.819SS**  trans70.8122.7163.6-54-178.5-2.700118.2
586Q25.1Very low25.1Very low194 Ų194151.1 Ų151.191%0.90782%0.819SS**  -157.1160.289.3-100.2-178.95.100112
587I25.3Very low25.3Very low158 Ų158154.2 Ų154.281%0.8182%0.822SS**  trans-110.7140.6-171.5-63.3166000109.2
588Q24.9Very low25.6Very low195 Ų195154 Ų15491%0.91182%0.818SS**  trans-132.7141.3156.6-74.5-169.4-12.300110.5
589G28.5Very low25.9Very low63 Ų63153.1 Ų153.165%0.64981%0.812SS**  trans-90.9179.6-171.300000115
590P29.6Very low26.9Very low128 Ų128153.1 Ų153.183%0.83181%0.81SS**PPolyproline II helixtrans-80.8143.4-170.932.4-35.2000113.3
591V28Very low27.2Very low139 Ų139147.4 Ų147.484%0.84280%0.804SS**PPolyproline II helixtrans-89.6128.8172175.60000110.1
592I27.4Very low27.4Very low147 Ų147147.2 Ų147.275%0.75480%0.802SS**PPolyproline II helixtrans-88.3134.2174.2-62.7167.6000108.9
593Q27.7Very low27.7Very low189 Ų189147.5 Ų147.588%0.88380%0.804SS**  trans-121.5134.4156.6-90.2-172.5-14.100110.9
594K27.9Very low27.9Very low200 Ų200145.5 Ų145.587%0.8780%0.798SS**  trans-83.1144.9179.6-62.8175.1174.9-178.60110
595G26.9Very low28.1Very low71 Ų71145.6 Ų145.673%0.73280%0.803SS**  trans-83.9179.7161.300000112.1
596P28.7Very low28.2Very low133 Ų133140.9 Ų140.986%0.86480%0.801SS**  trans-104.9162.6158.228.4-13.4000112.4
597E27.6Very low28.4Very low174 Ų174141.6 Ų141.681%0.81380%0.802SS**  trans-99.1164.2-163.2-61.7171.2132.600114.2
598H27.4Very low28.5Very low157 Ų157145.3 Ų145.373%0.72781%0.805SS**  trans22.5145.7136.8-67.9-74.6000120.4
599H28.1Very low28.7Very low159 Ų159144.1 Ų144.174%0.73680%0.799SS**  cis-171.9-160.118.3-118.9-37.7000108.2
600P44.3Very low28.7Very low107 Ų107147.7 Ų147.770%0.69580%0.804SS**  -120.8-152.2-8438.1-16.2000113.3
601S26.4Very low28.8Very low108 Ų108149.8 Ų149.876%0.75580%0.802SS**  trans86.7148.2167.989.60000116.4
602T26.6Very low28.9Very low133 Ų133150.3 Ų150.382%0.81680%0.801SS**  cis-152.6164.8-7.2-21.20000110.9
603Q30.5Very low29Very low182 Ų182148.8 Ų148.885%0.8580%0.803SS**  trans-82.3142.6166.3-65.4173.8-28.400112.6
604T26.4Very low29.1Very low132 Ų132143.3 Ų143.381%0.8180%0.797SS**  trans177.2123.4148.133.50000107
605S28.8Very low29.2Very low116 Ų116142.2 Ų142.281%0.81180%0.801SS**  83.2130.65679.90000115.3
606G26.3Very low29.2Very low74 Ų74141.9 Ų141.976%0.76380%0.797SS**  trans117.8106.5177.800000113.2
607K29.7Very low29.4Very low209 Ų209147.8 Ų147.891%0.90980%0.802SS**  63103.762.1-77.8-165.9174.2-176.90116.6
608R27.3Very low29.5Very low235 Ų235143 Ų14389%0.88780%0.8SS**  171.5127.8122.2-93.5169.4-179.2-172.50.1109.7
609H28.6Very low29.8Very low170 Ų170141.8 Ų141.879%0.78781%0.809SS**  52117.499.3-70.7-43.8000114
610N29.7Very low30.1Very low139 Ų139143.9 Ų143.974%0.74382%0.816SS**  cis88.3105.246.6-172.790.1000113
611E29.7Very low29.5Very low171 Ų171145.2 Ų145.280%0.79982%0.822SS**  trans-175.4124.2148.3-102.4164.3-156.400106
612D30.9Very low29.8Very low151 Ų151147.8 Ų147.881%0.80782%0.822SS**  63.8140.497.2-92.3-18.4000114.5
613S30Very low30.1Very low114 Ų114153 Ų15380%0.79783%0.827SS**  cis-164.8167.53.645.80000109.4
614G28.4Very low30.4Very low75 Ų75153.5 Ų153.577%0.77383%0.829SS**  trans172.892.617400000117.4
615N30.4Very low30.7Very low176 Ų176151.9 Ų151.994%0.94182%0.823SS**  trans-53.6150.6160.1-72.8-45.4000110.8
616G28.2Very low31.4Very low64 Ų64152.8 Ų152.866%0.6682%0.819SS**  cis127.3133.211.500000110.4
617R33.1Very low32.1Very low257 Ų257161.3 Ų161.397%0.9784%0.838SS**  trans-177.4128.1161.3-106.9167-171.9-1692.3109
618G29.4Very low32.2Very low75 Ų75158.9 Ų158.977%0.77384%0.835SS**  trans-95.5169.9174.200000112.5
619S32.4Very low32.4Very low130 Ų130154.9 Ų154.991%0.90983%0.832SS**  trans-143.5135.7156.5-840000109.7
620K34.8Very low32.7Very low204 Ų204154.1 Ų154.189%0.88784%0.835SS**  trans-75.8160.7168.3-64.1172.3175.1176.40109.9
621V32.7Very low32.8Very low135 Ų135154.9 Ų154.982%0.81884%0.84SS**  trans152.3141.8146.2152.90000108.1
622Q31.2Very low33Very low162 Ų162153.9 Ų153.976%0.75784%0.842SS**  cis-165.7147-26.8-175.9166.8-1800106.7
623R34.7Very low33.2Very low242 Ų242154.1 Ų154.191%0.91385%0.845SS**  trans-62.8137.3168.2-86.7178166.1173.9-6110.3
624Q34.7Very low33.4Very low193 Ų193157 Ų15790%0.90285%0.848SS**  trans-135.2135.8144.7-91.3-172.3-14.900110.8
625S34.1Very low33.8Very low97 Ų97163.3 Ų163.368%0.67885%0.854SS**  trans-109.5-177.6169.857.10000109.2
626N42.4Very low34.1Very low135 Ų135162.3 Ų162.372%0.72285%0.847SS**  trans92.4134.7179.3-46.42.1000111.7
627H41.2Very low34.6Very low253 Ų253171.2 Ų171.2100%1.17186%0.864SS**  cis-123.5013.2-105.9-64.1000114

Retrieved 627 of 627 residues in 798.3 ms (Link to these results)

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