A0A087XZC1_POEFO Loading...

VPS33B late endosome and lysosome associated

AlphaFold DB , UniProt , Accession A0A087XZC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 613 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
1M32.3Very low54.8Low240 Ų240132.3 Ų132.3100%1.18270%0.703SS**  0134.50-62.4-169-154.100107.5H3M1-H3 PolarHBondContact O-N 2.85Å
2A30.8Very low58Low104 Ų104125.3 Ų125.386%0.8667%0.666SS**  trans-62.9115.4-172.900000110.8S4A2-S4 PolarHBondContact O-N 3.35Å; A2-S4 VanDerWaalsContact O-N 3.09Å
3H32.3Very low60.7Low184 Ų184116.3 Ų116.385%0.85262%0.619SS**  trans-62.6109162-81.9-62.2000107M1 A5M1-H3 PolarHBondContact O-N 2.85Å; H3-A5 PolarHBondContact O-N 3.16Å
4S38.4Very low63.1Low101 Ų101114.5 Ų114.571%0.70661%0.61SS**  trans-53.2135.616453.10000107.8A2 R6A2-S4 PolarHBondContact O-N 3.35Å; A2-S4 VanDerWaalsContact O-N 3.09Å; S4-R6 PolarHBondContact O-N 3.04Å
5A40.9Very low65.1Low96 Ų96107.5 Ų107.579%0.79357%0.572SS**  trans-51.8107.7176.800000108.7H3 R7H3-A5 PolarHBondContact O-N 3.16Å; A5-R7 PolarHBondContact O-N 2.76Å
6R52.1Low66.8Low159 Ų159103.4 Ų103.460%0.656%0.555SS**  trans-57.1114.3173.2-84.6-179.6168.1-179.7-8.9105.8S4 D8 E586S4-R6 PolarHBondContact O-N 3.04Å; R6-D8 PolarHBondContact O-N 2.74Å; R6-E586 IonicContact NH2-OE1 3.31Å; R6-E586 PolarHBondContact NH2-OE1 3.26Å; R6-E586 IonicContact NH2-OE2 3.31Å
7R58Low68.4Low184 Ų184101 Ų10169%0.69454%0.541SS*.PPolyproline II helixtrans-63.4133.1173.5-71.7-178.3176.8-176.4-3.4107.7A5 S9A5-R7 PolarHBondContact O-N 2.76Å; R7-S9 PolarHBondContact O-N 2.87Å
8D70.5Confident70Confident146 Ų14695.7 Ų95.778%0.78151%0.513SS*.PPolyproline II helixtrans-54.6132.7173-64.7-40.2000109.4R6 R562R6-D8 PolarHBondContact O-N 2.74Å; D8-R562 PolarHBondContact O-NH1 3.27Å; D8-R562 PolarHBondContact O-NH2 3.39Å
9S71.4Confident71.3Confident56 Ų5694.1 Ų94.139%0.39250%0.501SS..PPolyproline II helixtrans-65.5143.417859.70000109.8R7 K590R7-S9 PolarHBondContact O-N 2.87Å; S9-K590 VanDerWaalsContact CB-CE 3.46Å; S9-K590 WeakPolarHBondContact OG-CE 3.43Å
10P86.9Confident72.5Confident7 Ų795.6 Ų95.65%0.04550%0.499CS..PPolyproline II helixtrans-61.5159.1178.730.9-39.1000112.1D559 R562 I563 K590P10-D559 HydrophobicContact CB-CB 4Å; P10-R562 HydrophobicContact CG-CB 3.86Å; P10-I563 HydrophobicContact CB-CD1 4.05Å; P10-I563 HydrophobicContact CB-CG1 3.83Å; P10-I563 HydrophobicContact CG-CD1 4.25Å; P10-I563 HydrophobicContact CG-CG1 3.52Å; P10-K590 HydrophobicContact CG-CB 4.16Å; P10-K590 HydrophobicContact CG-CG 3.89Å; P10-K590 VanDerWaalsContact O-CG 3.3Å; P10-K590 WeakPolarHBondContact O-CG 3.42Å
11E89.4Confident73.6Confident178 Ų17894.6 Ų94.683%0.83249%0.494SS*.PPolyproline II helixtrans-78.6143.3169.8-67.6-171.9166.500110.5I563E11-I563 WeakPolarHBondContact O-CD1 3.32Å
12L92.9Very high76.7Confident48 Ų4883.5 Ų83.525%0.25144%0.44SS..PPolyproline II helixtrans-77.6148.4178-72175.1000111.1D151 I563 K590 I592L12-D151 HydrophobicContact CD1-CB 3.85Å; L12-I563 HydrophobicContact CD2-CG2 4.18Å; L12-K590 HydrophobicContact CD2-CB 3.78Å; L12-K590 HydrophobicContact CD2-CG 4.4Å; L12-K590 HydrophobicContact CG-CB 4.49Å; L12-I592 HydrophobicContact CD2-CD1 3.99Å; L12-I592 HydrophobicContact CD2-CG1 3.63Å
13P93.5Very high79.8Confident9 Ų982.8 Ų82.86%0.05842%0.416CS..PPolyproline II helixtrans-61.8152.7172.327.5-35.7000111.9L15 F187 E222 I223 I592P13-L15 HydrophobicContact CG-CD2 4.31Å; P13-L15 PolarHBondContact O-N 3.26Å; P13-F187 HydrophobicContact CB-CD1 3.59Å; P13-F187 HydrophobicContact CB-CE1 3.61Å; P13-F187 HydrophobicContact CB-CG 4.29Å; P13-F187 HydrophobicContact CB-CZ 4.29Å; P13-F187 HydrophobicContact CG-CD1 4.36Å; P13-F187 HydrophobicContact CG-CE1 4.42Å; P13-E222 VanDerWaalsContact CB-OE2 3.32Å; P13-E222 WeakPolarHBondContact CB-OE2 3.46Å; P13-I223 HydrophobicContact CG-CD1 4.37Å; P13-I223 HydrophobicContact CG-CG1 4.35Å; P13-I592 HydrophobicContact CG-CD1 3.75Å
14D93.4Very high82.9Confident91 Ų9177.8 Ų77.849%0.48740%0.395SS..  trans-72.592.9178.7-179.613000111.9S16 L17 R20D14-S16 PolarHBondContact O-N 3.06Å; D14-S16 WeakPolarHBondContact OD1-CA 3.48Å; D14-S16 WeakPolarHBondContact OD1-CB 3.45Å; D14-S16 PolarHBondContact OD1-N 2.85Å; D14-S16 PolarHBondContact OD1-OG 3.15Å; D14-S16 PolarHBondContact OD2-OG 2.93Å; D14-L17 PolarHBondContact O-N 3.28Å; D14-R20 IonicContact OD2-NH2 3.03Å
15L94.3Very high85.7Confident9 Ų976.1 Ų76.15%0.04738%0.376CS..THydrogen-bonded Turntrans-68.5-10.3176.4-57.5-173.1000113.5P13 L17 L18 P147 E150 I153 F187P13-L15 HydrophobicContact CG-CD2 4.31Å; P13-L15 PolarHBondContact O-N 3.26Å; L15-L17 PolarHBondContact O-N 2.85Å; L15-L18 HydrophobicContact CB-CD1 4.49Å; L15-L18 HydrophobicContact CD2-CD1 4.3Å; L15-L18 WeakPolarHBondContact O-CB 3.33Å; L15-L18 PolarHBondContact O-N 3.31Å; L15-L18 VanDerWaalsContact O-N 3.16Å; L15-P147 HydrophobicContact CB-CB 4.22Å; L15-P147 HydrophobicContact CB-CG 4.26Å; L15-P147 WeakPolarHBondContact O-CG 3.47Å; L15-E150 WeakPolarHBondContact CD1-O 3.29Å; L15-I153 HydrophobicContact CD1-CD1 3.85Å; L15-I153 HydrophobicContact CD1-CG1 3.83Å; L15-I153 HydrophobicContact CD2-CD1 3.95Å; L15-F187 HydrophobicContact CD2-CE2 4.05Å; L15-F187 HydrophobicContact CD2-CZ 3.92Å
16S91.9Very high88.4Confident42 Ų4271.7 Ų71.729%0.29434%0.339SS..Hα-helixtrans-64.5-22.5178.582.50000112.6D14 L18 K19 R20D14-S16 PolarHBondContact O-N 3.06Å; D14-S16 WeakPolarHBondContact OD1-CA 3.48Å; D14-S16 WeakPolarHBondContact OD1-CB 3.45Å; D14-S16 PolarHBondContact OD1-N 2.85Å; D14-S16 PolarHBondContact OD1-OG 3.15Å; D14-S16 PolarHBondContact OD2-OG 2.93Å; S16-L18 VanDerWaalsContact C-N 3.26Å; S16-L18 PolarHBondContact O-N 3.46Å; S16-K19 PolarHBondContact O-N 2.95Å; S16-R20 PolarHBondContact O-N 3.46Å; S16-R20 PolarHBondContact OG-NH2 2.89Å
17L94.1Very high90.6Very high63 Ų6365.3 Ų65.333%0.3332%0.317SS..Hα-helixtrans-58.3-37.4174.2-177.861.8000112.4D14 L15 K19 R20 L21 L186D14-L17 PolarHBondContact O-N 3.28Å; L15-L17 PolarHBondContact O-N 2.85Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.4Å; L17-R20 PolarHBondContact O-N 2.8Å; L17-L21 HydrophobicContact CD1-CD1 4.43Å; L17-L21 HydrophobicContact CD1-CG 4.3Å; L17-L21 HydrophobicContact CG-CD1 4Å; L17-L21 HydrophobicContact CG-CG 4.33Å; L17-L21 WeakPolarHBondContact O-CG 3.36Å; L17-L21 PolarHBondContact O-N 2.84Å; L17-L186 HydrophobicContact CD2-CD1 4.33Å; L17-L186 HydrophobicContact CD2-CD2 3.85Å
18L96.4Very high92.5Very high5 Ų563.3 Ų63.33%0.02631%0.31CS..Hα-helixtrans-60.4-42179-67.1168.9000111.6L15 S16 A22 L145 P147 I153 L182 L183 L186L15-L18 HydrophobicContact CB-CD1 4.49Å; L15-L18 HydrophobicContact CD2-CD1 4.3Å; L15-L18 WeakPolarHBondContact O-CB 3.33Å; L15-L18 PolarHBondContact O-N 3.31Å; L15-L18 VanDerWaalsContact O-N 3.16Å; S16-L18 VanDerWaalsContact C-N 3.26Å; S16-L18 PolarHBondContact O-N 3.46Å; L18-A22 WeakPolarHBondContact O-CB 3.37Å; L18-A22 PolarHBondContact O-N 3.43Å; L18-L145 HydrophobicContact CD1-CB 4.22Å; L18-L145 HydrophobicContact CD1-CD1 4.39Å; L18-L145 HydrophobicContact CD2-CB 4.28Å; L18-L145 HydrophobicContact CD2-CD1 3.91Å; L18-P147 HydrophobicContact CB-CG 3.8Å; L18-P147 HydrophobicContact CD1-CG 3.89Å; L18-P147 HydrophobicContact CG-CG 4.47Å; L18-I153 HydrophobicContact CD1-CD1 3.98Å; L18-L182 HydrophobicContact CD2-CD2 4.14Å; L18-L182 HydrophobicContact CD2-CG 4.3Å; L18-L183 HydrophobicContact CD1-CD2 4.22Å; L18-L183 HydrophobicContact CD2-CD2 4.49Å; L18-L186 HydrophobicContact CD2-CD1 3.52Å; L18-L186 HydrophobicContact CG-CD1 4.4Å
19K94.9Very high93.8Very high66 Ų6656.7 Ų56.729%0.28728%0.275SS..Hα-helixtrans-65.4-40.1177.2-65.6-175.2179.1171.10111.8S16 L17 R23 I52 P147S16-K19 PolarHBondContact O-N 2.95Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.4Å; K19-R23 VanDerWaalsContact O-CB 3.29Å; K19-R23 WeakPolarHBondContact O-CB 3.18Å; K19-R23 PolarHBondContact O-N 3.06Å; K19-I52 HydrophobicContact CB-CD1 3.97Å; K19-I52 HydrophobicContact CG-CD1 3.84Å; K19-P147 VanDerWaalsContact CE-O 3.24Å; K19-P147 WeakPolarHBondContact CE-O 3.4Å; K19-P147 HydrophobicContact CG-CG 4.09Å
20R95Very high95Very high124 Ų12454 Ų5447%0.46826%0.256SS..Hα-helixtrans-64.7-49.4178.3-62.4178.9-152.8176.211.6110.7D14 S16 L17 A22 R23 D24D14-R20 IonicContact OD2-NH2 3.03Å; S16-R20 PolarHBondContact O-N 3.46Å; S16-R20 PolarHBondContact OG-NH2 2.89Å; L17-R20 PolarHBondContact O-N 2.8Å; R20-A22 PolarHBondContact O-N 3.26Å; R20-R23 PolarHBondContact O-N 3.36Å; R20-D24 WeakPolarHBondContact O-CB 3.43Å; R20-D24 PolarHBondContact O-N 2.97Å
21L95.8Very high95.4Very high74 Ų7458.7 Ų58.739%0.38728%0.277SS..Hα-helixtrans-57.6-47.7177.6-70.6170.2000112.1L17 R23 D24 Q25 L186L17-L21 HydrophobicContact CD1-CD1 4.43Å; L17-L21 HydrophobicContact CD1-CG 4.3Å; L17-L21 HydrophobicContact CG-CD1 4Å; L17-L21 HydrophobicContact CG-CG 4.33Å; L17-L21 WeakPolarHBondContact O-CG 3.36Å; L17-L21 PolarHBondContact O-N 2.84Å; L21-R23 PolarHBondContact O-N 2.81Å; L21-D24 PolarHBondContact O-N 2.98Å; L21-Q25 WeakPolarHBondContact O-CB 3.39Å; L21-Q25 PolarHBondContact O-N 2.93Å; L21-L186 HydrophobicContact CD1-CD1 3.71Å; L21-L186 HydrophobicContact CD1-CD2 3.82Å; L21-L186 HydrophobicContact CD1-CG 4.38Å
22A96.8Very high95.8Very high7 Ų754 Ų546%0.05826%0.255CS..Hα-helixtrans-60.6-45.3177.400000111.7L18 R20 L26 I52 W141 F143L18-A22 WeakPolarHBondContact O-CB 3.37Å; L18-A22 PolarHBondContact O-N 3.43Å; R20-A22 PolarHBondContact O-N 3.26Å; A22-L26 PolarHBondContact O-N 3.13Å; A22-I52 HydrophobicContact CB-CD1 4.24Å; A22-I52 HydrophobicContact CB-CG2 4.05Å; A22-W141 HydrophobicContact CB-CZ2 4.22Å; A22-W141 PolarHBondContact O-NE1 2.75Å; A22-F143 HydrophobicContact CB-CD2 3.56Å; A22-F143 HydrophobicContact CB-CE2 4.01Å; A22-F143 HydrophobicContact CB-CG 4.4Å
23R97.3Very high95.8Very high90 Ų9052.2 Ų52.234%0.3425%0.246SC..Hα-helixtrans-62.5-48.2178.2-175.7-167.162.9-164.8-4.2111.7K19 R20 L21 Q25 L26 I27 I52 A53K19-R23 VanDerWaalsContact O-CB 3.29Å; K19-R23 WeakPolarHBondContact O-CB 3.18Å; K19-R23 PolarHBondContact O-N 3.06Å; R20-R23 PolarHBondContact O-N 3.36Å; L21-R23 PolarHBondContact O-N 2.81Å; R23-Q25 VanDerWaalsContact C-N 3.33Å; R23-Q25 PolarHBondContact O-N 3.2Å; R23-L26 WeakPolarHBondContact O-CB 3.49Å; R23-L26 PolarHBondContact O-N 3.38Å; R23-I27 HydrophobicContact CG-CD1 3.89Å; R23-I27 WeakPolarHBondContact O-CG1 3.45Å; R23-I27 PolarHBondContact O-N 3.14Å; R23-I52 HydrophobicContact CB-CG2 3.65Å; R23-I52 HydrophobicContact CG-CG2 4.42Å; R23-A53 HydrophobicContact CG-CB 4.41Å
24D97.1Very high95.9Very high79 Ų7955.4 Ų55.442%0.42227%0.267SS..Hα-helixtrans-67.8-36.4-174.8-60-9.7000110.4R20 L21 I27 Y28R20-D24 WeakPolarHBondContact O-CB 3.43Å; R20-D24 PolarHBondContact O-N 2.97Å; L21-D24 PolarHBondContact O-N 2.98Å; D24-I27 PolarHBondContact O-N 2.84Å; D24-Y28 WeakPolarHBondContact O-CB 3.28Å; D24-Y28 PolarHBondContact O-N 3.17Å
25Q97.3Very high95.9Very high65 Ų6552 Ų5230%0.30425%0.253SS..Hα-helixtrans-64.5-42.2170.9-171.6-177900112.2L21 R23 I27 Y28 L29 E140L21-Q25 WeakPolarHBondContact O-CB 3.39Å; L21-Q25 PolarHBondContact O-N 2.93Å; R23-Q25 VanDerWaalsContact C-N 3.33Å; R23-Q25 PolarHBondContact O-N 3.2Å; Q25-I27 VanDerWaalsContact C-N 3.35Å; Q25-Y28 PolarHBondContact O-N 2.92Å; Q25-L29 HydrophobicContact CG-CD1 4.37Å; Q25-L29 VanDerWaalsContact O-CG 3.29Å; Q25-L29 WeakPolarHBondContact O-CG 3.37Å; Q25-L29 PolarHBondContact O-N 3.37Å; Q25-E140 PolarHBondContact NE2-O 3.42Å
26L97.8Very high96Very high3 Ų358.6 Ų58.62%0.01628%0.281CS..Hα-helixtrans-62.1-44.9177179.362.3000111.3A22 R23 Y28 L29 L30 L49 A53 L58 W141A22-L26 PolarHBondContact O-N 3.13Å; R23-L26 WeakPolarHBondContact O-CB 3.49Å; R23-L26 PolarHBondContact O-N 3.38Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 3Å; L26-L29 PolarHBondContact O-N 2.92Å; L26-L30 HydrophobicContact CD1-CD1 4.43Å; L26-L30 HydrophobicContact CD1-CG 4.38Å; L26-L30 HydrophobicContact CG-CD1 4.11Å; L26-L30 HydrophobicContact CG-CG 4.47Å; L26-L30 WeakPolarHBondContact O-CG 3.25Å; L26-L30 PolarHBondContact O-N 3.31Å; L26-L49 HydrophobicContact CD2-CD1 3.38Å; L26-A53 HydrophobicContact CD2-CB 4.09Å; L26-L58 HydrophobicContact CD2-CD2 4.11Å; L26-W141 HydrophobicContact CB-CD2 4.34Å; L26-W141 HydrophobicContact CB-CZ2 3.82Å; L26-W141 HydrophobicContact CD1-CD2 4.14Å; L26-W141 HydrophobicContact CD1-CE3 4.3Å; L26-W141 HydrophobicContact CD2-CH2 4.01Å; L26-W141 HydrophobicContact CD2-CZ2 4.02Å; L26-W141 HydrophobicContact CG-CZ2 4.35Å
27I97.6Very high96.3Very high26 Ų2656.6 Ų56.613%0.13327%0.268CS..Hα-helixtrans-57.2-50.1177-73.6169.4000110R23 D24 Q25 L29 L30 E31 T57 H61R23-I27 HydrophobicContact CG-CD1 3.89Å; R23-I27 WeakPolarHBondContact O-CG1 3.45Å; R23-I27 PolarHBondContact O-N 3.14Å; D24-I27 PolarHBondContact O-N 2.84Å; Q25-I27 VanDerWaalsContact C-N 3.35Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 3.46Å; I27-L30 PolarHBondContact O-N 2.98Å; I27-L30 VanDerWaalsContact O-N 3.09Å; I27-E31 HydrophobicContact CG2-CG 4.33Å; I27-E31 WeakPolarHBondContact O-CG 3.43Å; I27-E31 PolarHBondContact O-N 3.42Å; I27-T57 HydrophobicContact CD1-CG2 4.25Å; I27-H61 WeakPolarHBondContact CD1-NE2 3.4Å; I27-H61 WeakPolarHBondContact CG2-CE1 3.4Å
28Y97.8Very high96.5Very high141 Ų14153.7 Ų53.755%0.55325%0.252SS*.Hα-helixtrans-54.4-45.5177.1172.6-102.3000112.3D24 Q25 L26 L30 E31 Q32D24-Y28 WeakPolarHBondContact O-CB 3.28Å; D24-Y28 PolarHBondContact O-N 3.17Å; Q25-Y28 PolarHBondContact O-N 2.92Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 3Å; Y28-L30 PolarHBondContact O-N 3.46Å; Y28-E31 PolarHBondContact O-N 3.49Å; Y28-Q32 HydrophobicContact CE1-CG 4.3Å; Y28-Q32 VanDerWaalsContact CZ-NE2 3.3Å; Y28-Q32 WeakPolarHBondContact O-CG 3.34Å; Y28-Q32 PolarHBondContact O-N 3.46Å; Y28-Q32 VanDerWaalsContact O-N 3.08Å; Y28-Q32 PolarHBondContact OH-NE2 2.97Å; Y28-Q32 VanDerWaalsContact OH-NE2 3.14Å
29L97.7Very high96.5Very high7 Ų753.6 Ų53.64%0.03725%0.252CS..Hα-helixtrans-65.5-36178.3-68.7172000113.2Q25 L26 I27 K112 I114 D139 E140 W141Q25-L29 HydrophobicContact CG-CD1 4.37Å; Q25-L29 VanDerWaalsContact O-CG 3.29Å; Q25-L29 WeakPolarHBondContact O-CG 3.37Å; Q25-L29 PolarHBondContact O-N 3.37Å; L26-L29 PolarHBondContact O-N 2.92Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 3.46Å; L29-K112 WeakPolarHBondContact O-CE 3.37Å; L29-K112 PolarHBondContact O-NZ 3.09Å; L29-I114 HydrophobicContact CB-CD1 3.94Å; L29-I114 HydrophobicContact CD1-CG2 3.94Å; L29-D139 HydrophobicContact CD2-CB 3.69Å; L29-E140 WeakPolarHBondContact CD1-O 3.45Å; L29-W141 HydrophobicContact CD1-CB 3.61Å; L29-W141 HydrophobicContact CD1-CG 4.13Å
30L97.1Very high96.7Very high1 Ų150.9 Ų50.91%0.00524%0.24CC..Hα-helixtrans-70-35.1175.4-69.4172.5000111.8L26 I27 Y28 L33 K37 L39 L58 V63 I114L26-L30 HydrophobicContact CD1-CD1 4.43Å; L26-L30 HydrophobicContact CD1-CG 4.38Å; L26-L30 HydrophobicContact CG-CD1 4.11Å; L26-L30 HydrophobicContact CG-CG 4.47Å; L26-L30 WeakPolarHBondContact O-CG 3.25Å; L26-L30 PolarHBondContact O-N 3.31Å; I27-L30 PolarHBondContact O-N 2.98Å; I27-L30 VanDerWaalsContact O-N 3.09Å; Y28-L30 PolarHBondContact O-N 3.46Å; L30-L33 PolarHBondContact O-N 3.23Å; L30-K37 HydrophobicContact CD2-CD 4.41Å; L30-K37 PolarHBondContact O-NZ 2.83Å; L30-L39 HydrophobicContact CD2-CD1 4.44Å; L30-L58 HydrophobicContact CD1-CD2 3.82Å; L30-V63 HydrophobicContact CD1-CG2 4.3Å; L30-V63 HydrophobicContact CD2-CG2 4.3Å; L30-I114 HydrophobicContact CD2-CD1 4.35Å
31E96.2Very high96.8Very high105 Ų10545.2 Ų45.249%0.49122%0.219SC..Hα-helixtrans-75.4-25.3179.4-71.8179.2165.600113.2I27 Y28 L33 H61I27-E31 HydrophobicContact CG2-CG 4.33Å; I27-E31 WeakPolarHBondContact O-CG 3.43Å; I27-E31 PolarHBondContact O-N 3.42Å; Y28-E31 PolarHBondContact O-N 3.49Å; E31-L33 PolarHBondContact O-N 3.08Å; E31-L33 VanDerWaalsContact O-N 3.16Å; E31-H61 IonicContact OE1-CE1 3.26Å; E31-H61 PolarHBondContact OE1-CE1 2.68Å; E31-H61 VanDerWaalsContact OE1-CE1 3.26Å; E31-H61 IonicContact OE1-CG 3.56Å; E31-H61 IonicContact OE1-ND1 2.76Å; E31-H61 PolarHBondContact OE1-ND1 3.49Å
32Q96.1Very high96.8Very high79 Ų7942.1 Ų42.137%0.36920%0.202SC..THydrogen-bonded Turntrans-61.8-16.8169.8-75.6177.2-21.400113.7Y28 P34 D139Y28-Q32 HydrophobicContact CE1-CG 4.3Å; Y28-Q32 VanDerWaalsContact CZ-NE2 3.3Å; Y28-Q32 WeakPolarHBondContact O-CG 3.34Å; Y28-Q32 PolarHBondContact O-N 3.46Å; Y28-Q32 VanDerWaalsContact O-N 3.08Å; Y28-Q32 PolarHBondContact OH-NE2 2.97Å; Y28-Q32 VanDerWaalsContact OH-NE2 3.14Å; Q32-P34 VanDerWaalsContact C-CD 3.48Å; Q32-P34 VanDerWaalsContact O-CD 3.23Å; Q32-P34 WeakPolarHBondContact O-CD 3.47Å; Q32-D139 PolarHBondContact OE1-OD2 2.87Å
33L94.6Very high96.7Very high10 Ų1044.3 Ų44.35%0.05222%0.218CC..SBendtrans-10881.8170.9-177.762.6000108.5L30 E31 K37 Q80 C82 R110 K112L30-L33 PolarHBondContact O-N 3.23Å; E31-L33 PolarHBondContact O-N 3.08Å; E31-L33 VanDerWaalsContact O-N 3.16Å; L33-K37 HydrophobicContact CD2-CB 4.43Å; L33-K37 HydrophobicContact CD2-CD 4.2Å; L33-K37 WeakPolarHBondContact O-CE 3.37Å; L33-K37 PolarHBondContact O-NZ 2.73Å; L33-Q80 HydrophobicContact CD2-CB 4.45Å; L33-Q80 VanDerWaalsContact CG-OE1 3.25Å; L33-C82 HydrophobicContact CD2-CB 4.29Å; L33-R110 HydrophobicContact CD1-CB 4.32Å; L33-K112 HydrophobicContact CB-CD 4.04Å; L33-K112 HydrophobicContact CD2-CB 3.87Å; L33-K112 HydrophobicContact CD2-CD 4.31Å
34P93.9Very high96.4Very high76 Ų7641.5 Ų41.549%0.49421%0.209SC..  trans-71.7141.9-171.427.4-35.5000112.7Q32 Q80 R110Q32-P34 VanDerWaalsContact C-CD 3.48Å; Q32-P34 VanDerWaalsContact O-CD 3.23Å; Q32-P34 WeakPolarHBondContact O-CD 3.47Å; P34-Q80 PolarHBondContact O-NE2 3.04Å; P34-Q80 PolarHBondContact O-OE1 3.27Å; P34-R110 PolarHBondContact O-NH2 3.35Å
35G94.6Very high96.3Very high20 Ų2037.9 Ų37.921%0.20619%0.19CC..SBendtrans101.3174.1-177.700000113.3K37 E62G35-K37 WeakPolarHBondContact O-CE 3.44Å; G35-K37 PolarHBondContact O-N 3.2Å; G35-K37 PolarHBondContact O-NZ 2.91Å; G35-E62 WeakPolarHBondContact CA-OE2 3.05Å; G35-E62 PolarHBondContact N-OE2 3.25Å; G35-E62 WeakPolarHBondContact O-CB 3.5Å
36K96.7Very high96.2Very high147 Ų14738.7 Ų38.764%0.63920%0.195SC*.  trans-59.6132.6178.6-67.8-171.9178.4-173.10111.7E62 Q80K36-E62 WeakPolarHBondContact CA-O 2.89Å; K36-Q80 PolarHBondContact O-NE2 2.83Å
37K97.3Very high96Very high1 Ų139.8 Ų39.80%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-138.3150.8179.665.3-160.365.81120112L30 L33 G35 H61 E62 V63 D64 Q80L30-K37 HydrophobicContact CD2-CD 4.41Å; L30-K37 PolarHBondContact O-NZ 2.83Å; L33-K37 HydrophobicContact CD2-CB 4.43Å; L33-K37 HydrophobicContact CD2-CD 4.2Å; L33-K37 WeakPolarHBondContact O-CE 3.37Å; L33-K37 PolarHBondContact O-NZ 2.73Å; G35-K37 WeakPolarHBondContact O-CE 3.44Å; G35-K37 PolarHBondContact O-N 3.2Å; G35-K37 PolarHBondContact O-NZ 2.91Å; K37-H61 PolarHBondContact NZ-O 2.94Å; K37-E62 PolarHBondContact N-O 2.85Å; K37-V63 HydrophobicContact CD-CG2 4.44Å; K37-V63 HydrophobicContact CG-CG2 4.21Å; K37-V63 CarbonylContact O-C 3.57Å; K37-V63 WeakPolarHBondContact O-CA 3.44Å; K37-D64 PolarHBondContact O-N 3.35Å; K37-Q80 WeakPolarHBondContact CA-O 3.46Å; K37-Q80 HydrophobicContact CB-CB 3.86Å
38D97.9Very high95.9Very high2 Ų238.6 Ų38.61%0.01120%0.197CC..EExtended strand (participates in β ladder)trans-95.9134167-75.5-11.9000109.1F40 K65 Y67 S76 S78 Q80 C82D38-F40 HydrophobicContact CB-CE2 4.15Å; D38-K65 WeakPolarHBondContact OD1-CB 3.4Å; D38-K65 PolarHBondContact OD1-N 3.25Å; D38-Y67 HydrophobicContact CB-CD2 4.18Å; D38-Y67 HydrophobicContact CB-CE2 3.85Å; D38-S76 WeakPolarHBondContact OD2-CB 3.48Å; D38-S76 PolarHBondContact OD2-OG 3.48Å; D38-S78 VanDerWaalsContact CG-CB 3.5Å; D38-S78 WeakPolarHBondContact OD2-CB 3.23Å; D38-Q80 PolarHBondContact N-O 2.86Å; D38-C82 PolarHBondContact O-N 3.15Å
39L98Very high95.7Very high2 Ų232.2 Ų32.21%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-108.5118.6-176.9-177.963.8000110.7L30 I41 L58 V63 K65 L66 Y67 C82 L84L30-L39 HydrophobicContact CD2-CD1 4.44Å; L39-I41 HydrophobicContact CD2-CD1 4Å; L39-I41 HydrophobicContact CD2-CG1 4.05Å; L39-I41 HydrophobicContact CG-CD1 4.21Å; L39-I41 HydrophobicContact CG-CG1 3.83Å; L39-L58 HydrophobicContact CD2-CD1 4.36Å; L39-L58 HydrophobicContact CD2-CD2 4.5Å; L39-V63 HydrophobicContact CB-CG1 3.6Å; L39-V63 HydrophobicContact CB-CG2 4.44Å; L39-V63 HydrophobicContact CD2-CG1 4.33Å; L39-V63 HydrophobicContact CD2-CG2 4.4Å; L39-K65 PolarHBondContact N-O 3.09Å; L39-L66 CarbonylContact O-C 3.56Å; L39-L66 WeakPolarHBondContact O-CA 3.21Å; L39-Y67 PolarHBondContact O-N 3.38Å; L39-C82 CarbonylContact C-O 3.55Å; L39-C82 WeakPolarHBondContact CA-O 2.79Å; L39-C82 HydrophobicContact CD1-CB 3.88Å; L39-L84 HydrophobicContact CD1-CB 4.17Å
40F98.1Very high95.5Very high10 Ų1035.7 Ų35.74%0.04419%0.19CC..EExtended strand (participates in β ladder)trans-99.5123.2174.5-73.8-102.1000109.3D38 Y67 V69 I74 I81 C82 F83 L84 W94D38-F40 HydrophobicContact CB-CE2 4.15Å; F40-Y67 CarbonylContact C-O 3.52Å; F40-Y67 WeakPolarHBondContact CA-O 3.47Å; F40-Y67 VanDerWaalsContact CD1-CB 3.43Å; F40-Y67 HydrophobicContact CD1-CG 4.2Å; F40-Y67 HydrophobicContact CD2-CD2 4.2Å; F40-Y67 HydrophobicContact CE1-CD1 4.24Å; F40-Y67 HydrophobicContact CE1-CD2 4.04Å; F40-Y67 AromaticContact CE1-CG 3.63Å; F40-Y67 HydrophobicContact CE1-CG 3.63Å; F40-Y67 AromaticContact CE2-CD2 3.59Å; F40-Y67 HydrophobicContact CE2-CD2 3.59Å; F40-Y67 HydrophobicContact CE2-CE2 4.21Å; F40-Y67 HydrophobicContact CE2-CG 4.07Å; F40-Y67 HydrophobicContact CZ-CD1 4.19Å; F40-Y67 AromaticContact CZ-CD2 3.46Å; F40-Y67 HydrophobicContact CZ-CD2 3.46Å; F40-Y67 VanDerWaalsContact CZ-CD2 3.46Å; F40-Y67 HydrophobicContact CZ-CE2 4.06Å; F40-Y67 AromaticContact CZ-CG 3.53Å; F40-Y67 HydrophobicContact CZ-CG 3.53Å; F40-V69 HydrophobicContact CB-CG2 4.09Å; F40-I74 HydrophobicContact CD1-CD1 4.11Å; F40-I74 HydrophobicContact CE1-CB 4.46Å; F40-I74 HydrophobicContact CE1-CD1 3.79Å; F40-I74 HydrophobicContact CE1-CG1 3.87Å; F40-I74 HydrophobicContact CE1-CG2 3.94Å; F40-I74 HydrophobicContact CE2-CD1 4.24Å; F40-I74 HydrophobicContact CE2-CG2 4.09Å; F40-I74 HydrophobicContact CG-CD1 4.48Å; F40-I74 HydrophobicContact CZ-CB 4.32Å; F40-I74 HydrophobicContact CZ-CD1 3.9Å; F40-I74 HydrophobicContact CZ-CG1 4.12Å; F40-I74 HydrophobicContact CZ-CG2 3.35Å; F40-I81 HydrophobicContact CD2-CG2 3.61Å; F40-I81 HydrophobicContact CE2-CG2 3.79Å; F40-C82 PolarHBondContact N-O 3.35Å; F40-F83 HydrophobicContact CB-CD1 3.55Å; F40-F83 HydrophobicContact CB-CE1 3.92Å; F40-F83 HydrophobicContact CB-CG 4.46Å; F40-F83 HydrophobicContact CD1-CE1 4.47Å; F40-F83 HydrophobicContact CD2-CE1 4.27Å; F40-F83 HydrophobicContact CG-CD1 4.11Å; F40-F83 AromaticContact CG-CE1 3.96Å; F40-F83 HydrophobicContact CG-CE1 3.96Å; F40-F83 CarbonylContact O-C 3.46Å; F40-F83 WeakPolarHBondContact O-CA 3.42Å; F40-L84 PolarHBondContact O-N 2.9Å; F40-W94 HydrophobicContact CD1-CH2 4.38Å
41I97.8Very high95.4Very high4 Ų436.9 Ų36.92%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-119.7132-172.6-53159.6000109.3L39 L45 M46 L49 L66 Y67 K68 V69 L84L39-I41 HydrophobicContact CD2-CD1 4Å; L39-I41 HydrophobicContact CD2-CG1 4.05Å; L39-I41 HydrophobicContact CG-CD1 4.21Å; L39-I41 HydrophobicContact CG-CG1 3.83Å; I41-L45 HydrophobicContact CG2-CB 3.97Å; I41-M46 HydrophobicContact CB-CG 4.32Å; I41-M46 HydrophobicContact CG2-CG 3.94Å; I41-L49 HydrophobicContact CD1-CD2 3.51Å; I41-L49 HydrophobicContact CG1-CD2 4.21Å; I41-L49 HydrophobicContact CG2-CD2 4.32Å; I41-L66 HydrophobicContact CD1-CD2 3.87Å; I41-Y67 PolarHBondContact N-O 2.98Å; I41-K68 WeakPolarHBondContact O-CA 3.37Å; I41-V69 PolarHBondContact O-N 3.03Å; I41-L84 HydrophobicContact CG1-CB 4.46Å; I41-L84 HydrophobicContact CG2-CD2 4.26Å
42E95.9Very high95.3Very high9 Ų932.6 Ų32.64%0.04218%0.175CC..  trans-65143.7172.8-160.2166.8-159.700111.8D44 L45 M46 L84 I85 R86 R88 T91E42-D44 VanDerWaalsContact C-N 3.28Å; E42-D44 WeakPolarHBondContact CG-OD1 3.49Å; E42-D44 PolarHBondContact O-N 3.1Å; E42-L45 HydrophobicContact CB-CD1 4.11Å; E42-L45 HydrophobicContact CB-CG 4.4Å; E42-L45 WeakPolarHBondContact O-CB 3.42Å; E42-L45 PolarHBondContact O-N 3.36Å; E42-M46 PolarHBondContact O-N 3.07Å; E42-L84 PolarHBondContact N-O 2.88Å; E42-I85 HydrophobicContact CB-CG2 4.43Å; E42-R86 WeakPolarHBondContact OE2-CA 3.41Å; E42-R86 VanDerWaalsContact OE2-CB 3.25Å; E42-R86 WeakPolarHBondContact OE2-CB 3.47Å; E42-R86 PolarHBondContact OE2-N 3.01Å; E42-R88 WeakPolarHBondContact OE1-CD 3.46Å; E42-R88 IonicContact OE1-CZ 3.58Å; E42-R88 IonicContact OE1-NE 2.76Å; E42-R88 IonicContact OE1-NH1 2.79Å; E42-R88 PolarHBondContact OE1-NH1 3.46Å; E42-R88 IonicContact OE2-NH1 3.23Å; E42-T91 PolarHBondContact OE1-OG1 3.24Å
43S93.2Very high95.2Very high54 Ų5429 Ų2938%0.37816%0.159SC..THydrogen-bonded Turntrans-61.7-32.1-16670.50000115.1
44D92.2Very high95.1Very high31 Ų3131.8 Ų31.817%0.16617%0.174CC..THydrogen-bonded Turntrans-78.3-24.1177.651.37.2000112.6E42 P48 R88E42-D44 VanDerWaalsContact C-N 3.28Å; E42-D44 WeakPolarHBondContact CG-OD1 3.49Å; E42-D44 PolarHBondContact O-N 3.1Å; D44-P48 WeakPolarHBondContact O-CD 3.49Å; D44-P48 WeakPolarHBondContact O-CG 3.35Å; D44-R88 IonicContact OD2-CZ 3.6Å; D44-R88 IonicContact OD2-NH1 3.57Å; D44-R88 PolarHBondContact OD2-NH1 3.35Å; D44-R88 IonicContact OD2-NH2 3.28Å; D44-R88 PolarHBondContact OD2-NH2 2.97Å
45L95.3Very high95Very high2 Ų231.7 Ų31.71%0.0117%0.172CC..THydrogen-bonded Turntrans-82.3-17.8175-66.4175.9000114.1I41 E42 S47 P48 L49 L84 R86 T116I41-L45 HydrophobicContact CG2-CB 3.97Å; E42-L45 HydrophobicContact CB-CD1 4.11Å; E42-L45 HydrophobicContact CB-CG 4.4Å; E42-L45 WeakPolarHBondContact O-CB 3.42Å; E42-L45 PolarHBondContact O-N 3.36Å; L45-S47 PolarHBondContact O-N 3.38Å; L45-P48 WeakPolarHBondContact O-CD 3.35Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 PolarHBondContact O-N 2.96Å; L45-L84 HydrophobicContact CD1-CG 4.18Å; L45-R86 HydrophobicContact CD1-CG 4.4Å; L45-R86 HydrophobicContact CD2-CG 4.46Å; L45-R86 HydrophobicContact CG-CG 4.39Å; L45-T116 HydrophobicContact CD1-CG2 3.32Å; L45-T116 HydrophobicContact CD2-CG2 3.59Å; L45-T116 HydrophobicContact CG-CG2 4.11Å
46M94.1Very high95Very high82 Ų8233.9 Ų33.940%0.40418%0.184SC..Hα-helixtrans-58.9-44.6-179.2-64.6-175.875.300112.9I41 E42 D50 K68I41-M46 HydrophobicContact CB-CG 4.32Å; I41-M46 HydrophobicContact CG2-CG 3.94Å; E42-M46 PolarHBondContact O-N 3.07Å; M46-D50 PolarHBondContact O-N 3.43Å; M46-D50 VanDerWaalsContact O-N 3.1Å; M46-K68 HydrophobicContact SD-CB 4.25Å; M46-K68 HydrophobicContact SD-CD 4.19Å; M46-K68 HydrophobicContact SD-CG 3.94Å
47S93.7Very high95Very high27 Ų2728.2 Ų28.219%0.18916%0.161CC..Hα-helixtrans-73.1-43.8-178.5-50.60000112.8L45 L49 D50 R51 K256 C257L45-S47 PolarHBondContact O-N 3.38Å; S47-L49 VanDerWaalsContact C-N 3.32Å; S47-L49 PolarHBondContact O-N 3.4Å; S47-D50 PolarHBondContact O-N 3.38Å; S47-R51 WeakPolarHBondContact O-CG 3.49Å; S47-K256 WeakPolarHBondContact OG-CD 3.35Å; S47-K256 VanDerWaalsContact OG-CE 3.24Å; S47-K256 WeakPolarHBondContact OG-CE 3.4Å; S47-K256 PolarHBondContact OG-NZ 3.24Å; S47-C257 WeakPolarHBondContact CB-SG 3.48Å
48P95.1Very high95Very high1 Ų128.4 Ų28.41%0.00616%0.162CC..Hα-helixtrans-58.3-40.6169.2-2634.4000113.1D44 L45 R51 F143 L146 E156 C257D44-P48 WeakPolarHBondContact O-CD 3.49Å; D44-P48 WeakPolarHBondContact O-CG 3.35Å; L45-P48 WeakPolarHBondContact O-CD 3.35Å; P48-R51 WeakPolarHBondContact O-CB 3.46Å; P48-R51 PolarHBondContact O-N 3.38Å; P48-F143 HydrophobicContact CB-CE1 3.73Å; P48-F143 HydrophobicContact CB-CZ 4.22Å; P48-L146 HydrophobicContact CB-CD2 4.2Å; P48-E156 HydrophobicContact CG-CB 4.02Å; P48-E156 HydrophobicContact CG-CG 4.16Å; P48-C257 WeakPolarHBondContact CD-SG 3.28Å
49L95.3Very high94.9Very high7 Ų734.2 Ų34.24%0.03719%0.188CC..Hα-helixtrans-64-43.6179.5179.663.6000112.2L26 I41 L45 S47 R51 I52 A53 L58 L84 W141L26-L49 HydrophobicContact CD2-CD1 3.38Å; I41-L49 HydrophobicContact CD1-CD2 3.51Å; I41-L49 HydrophobicContact CG1-CD2 4.21Å; I41-L49 HydrophobicContact CG2-CD2 4.32Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 PolarHBondContact O-N 2.96Å; S47-L49 VanDerWaalsContact C-N 3.32Å; S47-L49 PolarHBondContact O-N 3.4Å; L49-R51 PolarHBondContact O-N 2.89Å; L49-R51 VanDerWaalsContact O-N 3.11Å; L49-I52 PolarHBondContact O-N 3.19Å; L49-A53 HydrophobicContact CD1-CB 4.21Å; L49-A53 CarbonylContact O-C 3.57Å; L49-A53 PolarHBondContact O-N 3.4Å; L49-L58 HydrophobicContact CD2-CD1 3.98Å; L49-L58 HydrophobicContact CG-CD1 4.45Å; L49-L84 HydrophobicContact CD1-CD2 4.35Å; L49-L84 HydrophobicContact CD2-CD2 4.02Å; L49-W141 HydrophobicContact CD1-CH2 4.08Å; L49-W141 HydrophobicContact CD1-CZ3 4.42Å
50D93.7Very high94.8Very high79 Ų7941 Ų4142%0.42222%0.219SC..Hα-helixtrans-58.5-25.9177.7-169.947.4000112.6M46 S47 I52 K274M46-D50 PolarHBondContact O-N 3.43Å; M46-D50 VanDerWaalsContact O-N 3.1Å; S47-D50 PolarHBondContact O-N 3.38Å; D50-I52 VanDerWaalsContact C-N 3.34Å; D50-K274 IonicContact OD2-NZ 3.34Å; D50-K274 PolarHBondContact OD2-NZ 3.21Å
51R93.8Very high94.8Very high27 Ų2742 Ų4210%0.10222%0.224CC..THydrogen-bonded Turntrans-77.7-17175.5-65.7-79.9-56.9-130.95.9113.9S47 P48 L49 L146 P147 L148 C257 M276S47-R51 WeakPolarHBondContact O-CG 3.49Å; P48-R51 WeakPolarHBondContact O-CB 3.46Å; P48-R51 PolarHBondContact O-N 3.38Å; L49-R51 PolarHBondContact O-N 2.89Å; L49-R51 VanDerWaalsContact O-N 3.11Å; R51-L146 HydrophobicContact CB-CD1 3.64Å; R51-L146 HydrophobicContact CB-CD2 4.38Å; R51-L146 HydrophobicContact CG-CD1 4.31Å; R51-L146 HydrophobicContact CG-CD2 4.28Å; R51-P147 PolarHBondContact NH2-O 3Å; R51-L148 PolarHBondContact NH1-O 3.46Å; R51-L148 PolarHBondContact NH2-O 3.06Å; R51-C257 WeakPolarHBondContact CD-O 3.2Å; R51-C257 HydrophobicContact CG-CB 4.15Å; R51-C257 PolarHBondContact NH1-O 2.95Å; R51-M276 VanDerWaalsContact CZ-CE 3.45Å
52I94.6Very high94.7Very high15 Ų1546.2 Ų46.28%0.07724%0.244CC..THydrogen-bonded Turntrans-112.6-49.4-173.3-59.5-60.3000111.5K19 A22 R23 L49 D50 W141 F143 L146K19-I52 HydrophobicContact CB-CD1 3.97Å; K19-I52 HydrophobicContact CG-CD1 3.84Å; A22-I52 HydrophobicContact CB-CD1 4.24Å; A22-I52 HydrophobicContact CB-CG2 4.05Å; R23-I52 HydrophobicContact CB-CG2 3.65Å; R23-I52 HydrophobicContact CG-CG2 4.42Å; L49-I52 PolarHBondContact O-N 3.19Å; D50-I52 VanDerWaalsContact C-N 3.34Å; I52-W141 HydrophobicContact CG2-CH2 4.49Å; I52-W141 HydrophobicContact CG2-CZ2 4.11Å; I52-F143 HydrophobicContact CD1-CE2 3.77Å; I52-F143 HydrophobicContact CD1-CZ 3.98Å; I52-F143 HydrophobicContact CG1-CE1 4.29Å; I52-F143 HydrophobicContact CG1-CE2 3.76Å; I52-F143 HydrophobicContact CG1-CZ 3.55Å; I52-L146 HydrophobicContact CD1-CD1 3.78Å; I52-L146 HydrophobicContact CG1-CD1 4.23Å
53A94.3Very high94.8Very high2 Ų246 Ų462%0.01724%0.243CC..SBendtrans-142104.4-177.200000109.8R23 L26 L49 T57 L58R23-A53 HydrophobicContact CG-CB 4.41Å; L26-A53 HydrophobicContact CD2-CB 4.09Å; L49-A53 HydrophobicContact CD1-CB 4.21Å; L49-A53 CarbonylContact O-C 3.57Å; L49-A53 PolarHBondContact O-N 3.4Å; A53-T57 HydrophobicContact CB-CG2 4.2Å; A53-L58 HydrophobicContact CB-CD2 4.01Å; A53-L58 HydrophobicContact CB-CG 4.32Å
54N91.1Very high94.9Very high70 Ų7047.2 Ų47.237%0.37425%0.245SC..  trans-69.9168.8175.866.413.7000111.6S56 T57 L58N54-S56 PolarHBondContact ND2-OG 3.42Å; N54-S56 PolarHBondContact O-N 3.3Å; N54-S56 VanDerWaalsContact O-N 3.15Å; N54-S56 PolarHBondContact OD1-N 3.42Å; N54-S56 PolarHBondContact OD1-OG 3.13Å; N54-T57 WeakPolarHBondContact O-CA 3.26Å; N54-T57 WeakPolarHBondContact O-CB 3.35Å; N54-T57 PolarHBondContact O-N 2.87Å; N54-T57 WeakPolarHBondContact OD1-CB 3.43Å; N54-T57 PolarHBondContact OD1-N 2.97Å; N54-T57 PolarHBondContact OD1-OG1 2.83Å; N54-L58 PolarHBondContact O-N 2.86Å
55V93.2Very high95.1Very high73 Ų7349.8 Ų49.844%0.44226%0.255SS..Hα-helixtrans-54.2-38-179.1177.70000112.6T57 L58 K59 L66V55-T57 VanDerWaalsContact C-N 3.34Å; V55-T57 PolarHBondContact O-N 3.42Å; V55-L58 PolarHBondContact O-N 3.28Å; V55-K59 HydrophobicContact CG1-CD 4.16Å; V55-K59 HydrophobicContact CG1-CG 4.33Å; V55-K59 WeakPolarHBondContact O-CB 3.31Å; V55-K59 WeakPolarHBondContact O-CG 3.32Å; V55-K59 PolarHBondContact O-N 2.94Å; V55-L66 HydrophobicContact CG1-CD1 4.04Å; V55-L66 HydrophobicContact CG2-CD2 4.31Å
56S94.6Very high95.1Very high67 Ų6752.5 Ų52.547%0.46927%0.269SS..Hα-helixtrans-63.8-39.1176.743.70000112.6N54 Q60N54-S56 PolarHBondContact ND2-OG 3.42Å; N54-S56 PolarHBondContact O-N 3.3Å; N54-S56 VanDerWaalsContact O-N 3.15Å; N54-S56 PolarHBondContact OD1-N 3.42Å; N54-S56 PolarHBondContact OD1-OG 3.13Å; S56-Q60 WeakPolarHBondContact O-CG 3.3Å; S56-Q60 PolarHBondContact O-N 3.2Å
57T95.6Very high95.2Very high27 Ų2751.5 Ų51.517%0.16626%0.261CS..Hα-helixtrans-64.7-48.1176.1-52.60000109.8I27 A53 N54 V55 K59 Q60 H61I27-T57 HydrophobicContact CD1-CG2 4.25Å; A53-T57 HydrophobicContact CB-CG2 4.2Å; N54-T57 WeakPolarHBondContact O-CA 3.26Å; N54-T57 WeakPolarHBondContact O-CB 3.35Å; N54-T57 PolarHBondContact O-N 2.87Å; N54-T57 WeakPolarHBondContact OD1-CB 3.43Å; N54-T57 PolarHBondContact OD1-N 2.97Å; N54-T57 PolarHBondContact OD1-OG1 2.83Å; V55-T57 VanDerWaalsContact C-N 3.34Å; V55-T57 PolarHBondContact O-N 3.42Å; T57-K59 VanDerWaalsContact C-N 3.33Å; T57-K59 PolarHBondContact O-N 3.49Å; T57-Q60 WeakPolarHBondContact O-CB 3.49Å; T57-Q60 PolarHBondContact O-N 3.36Å; T57-Q60 VanDerWaalsContact O-N 3.1Å; T57-H61 PolarHBondContact O-CD2 3.39Å; T57-H61 VanDerWaalsContact O-CD2 3.25Å
58L96.9Very high95.3Very high5 Ų555.1 Ų55.13%0.02627%0.274CS..Hα-helixtrans-61.1-41.2-179.5-61.8171000112.1L26 L30 L39 L49 A53 N54 V55 Q60 H61 V63 L66L26-L58 HydrophobicContact CD2-CD2 4.11Å; L30-L58 HydrophobicContact CD1-CD2 3.82Å; L39-L58 HydrophobicContact CD2-CD1 4.36Å; L39-L58 HydrophobicContact CD2-CD2 4.5Å; L49-L58 HydrophobicContact CD2-CD1 3.98Å; L49-L58 HydrophobicContact CG-CD1 4.45Å; A53-L58 HydrophobicContact CB-CD2 4.01Å; A53-L58 HydrophobicContact CB-CG 4.32Å; N54-L58 PolarHBondContact O-N 2.86Å; V55-L58 PolarHBondContact O-N 3.28Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.16Å; L58-H61 CarbonylContact O-C 3.56Å; L58-H61 PolarHBondContact O-N 2.93Å; L58-H61 VanDerWaalsContact O-N 3.09Å; L58-V63 HydrophobicContact CB-CB 4.23Å; L58-V63 HydrophobicContact CB-CG2 4.25Å; L58-V63 WeakPolarHBondContact O-CB 3.37Å; L58-V63 WeakPolarHBondContact O-CG2 3.09Å; L58-V63 PolarHBondContact O-N 2.96Å; L58-L66 HydrophobicContact CD1-CD2 3.7Å
59K96.5Very high95.4Very high124 Ų12455.6 Ų55.654%0.53928%0.276SS..Hα-helixtrans-63.8-28.9176.5-75.9-172.9172.6-1670113.7V55 T57 H61 E62 V63V55-K59 HydrophobicContact CG1-CD 4.16Å; V55-K59 HydrophobicContact CG1-CG 4.33Å; V55-K59 WeakPolarHBondContact O-CB 3.31Å; V55-K59 WeakPolarHBondContact O-CG 3.32Å; V55-K59 PolarHBondContact O-N 2.94Å; T57-K59 VanDerWaalsContact C-N 3.33Å; T57-K59 PolarHBondContact O-N 3.49Å; K59-H61 PolarHBondContact O-N 3.17Å; K59-E62 PolarHBondContact O-N 2.66Å; K59-V63 WeakPolarHBondContact CG-O 3.32Å
60Q96.8Very high95.2Very high144 Ų14460 Ų6067%0.67330%0.297SS*.Hα-helixtrans-65.8-25.5174.8-72.1167-0.800112.2S56 T57 L58S56-Q60 WeakPolarHBondContact O-CG 3.3Å; S56-Q60 PolarHBondContact O-N 3.2Å; T57-Q60 WeakPolarHBondContact O-CB 3.49Å; T57-Q60 PolarHBondContact O-N 3.36Å; T57-Q60 VanDerWaalsContact O-N 3.1Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.16Å
61H96.6Very high95.2Very high33 Ų3360.3 Ų60.315%0.15330%0.296CS..THydrogen-bonded Turntrans-104.838.9178.5-56.9-76.8000112.1I27 E31 K37 T57 L58 K59 V63I27-H61 WeakPolarHBondContact CD1-NE2 3.4Å; I27-H61 WeakPolarHBondContact CG2-CE1 3.4Å; E31-H61 IonicContact OE1-CE1 3.26Å; E31-H61 PolarHBondContact OE1-CE1 2.68Å; E31-H61 VanDerWaalsContact OE1-CE1 3.26Å; E31-H61 IonicContact OE1-CG 3.56Å; E31-H61 IonicContact OE1-ND1 2.76Å; E31-H61 PolarHBondContact OE1-ND1 3.49Å; K37-H61 PolarHBondContact NZ-O 2.94Å; T57-H61 PolarHBondContact O-CD2 3.39Å; T57-H61 VanDerWaalsContact O-CD2 3.25Å; L58-H61 CarbonylContact O-C 3.56Å; L58-H61 PolarHBondContact O-N 2.93Å; L58-H61 VanDerWaalsContact O-N 3.09Å; K59-H61 PolarHBondContact O-N 3.17Å; H61-V63 VanDerWaalsContact C-N 3.29Å; H61-V63 PolarHBondContact O-N 3.31Å
62E96.2Very high95.1Very high92 Ų9264.8 Ų64.843%0.4332%0.316SS..THydrogen-bonded Turntrans64.820.9170.7-51.1-176.3117.300115.8G35 K36 K37 K59 D64G35-E62 WeakPolarHBondContact CA-OE2 3.05Å; G35-E62 PolarHBondContact N-OE2 3.25Å; G35-E62 WeakPolarHBondContact O-CB 3.5Å; K36-E62 WeakPolarHBondContact CA-O 2.89Å; K37-E62 PolarHBondContact N-O 2.85Å; K59-E62 PolarHBondContact O-N 2.66Å; E62-D64 PolarHBondContact O-N 3.21Å
63V97.4Very high94.8Very high3 Ų369.9 Ų69.92%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-77.3111.7166.8-179.70000109.1L30 K37 L39 L58 K59 H61 L66L30-V63 HydrophobicContact CD1-CG2 4.3Å; L30-V63 HydrophobicContact CD2-CG2 4.3Å; K37-V63 HydrophobicContact CD-CG2 4.44Å; K37-V63 HydrophobicContact CG-CG2 4.21Å; K37-V63 CarbonylContact O-C 3.57Å; K37-V63 WeakPolarHBondContact O-CA 3.44Å; L39-V63 HydrophobicContact CB-CG1 3.6Å; L39-V63 HydrophobicContact CB-CG2 4.44Å; L39-V63 HydrophobicContact CD2-CG1 4.33Å; L39-V63 HydrophobicContact CD2-CG2 4.4Å; L58-V63 HydrophobicContact CB-CB 4.23Å; L58-V63 HydrophobicContact CB-CG2 4.25Å; L58-V63 WeakPolarHBondContact O-CB 3.37Å; L58-V63 WeakPolarHBondContact O-CG2 3.09Å; L58-V63 PolarHBondContact O-N 2.96Å; K59-V63 WeakPolarHBondContact CG-O 3.32Å; H61-V63 VanDerWaalsContact C-N 3.29Å; H61-V63 PolarHBondContact O-N 3.31Å; V63-L66 HydrophobicContact CG1-CD1 4.09Å; V63-L66 HydrophobicContact CG1-CG 4.16Å
64D96Very high94.6Very high80 Ų8071.1 Ų71.143%0.42836%0.356SS..EExtended strand (participates in β ladder)trans-80-56.1-178.6-170.443.5000111.1K37 E62K37-D64 PolarHBondContact O-N 3.35Å; E62-D64 PolarHBondContact O-N 3.21Å
65K96.5Very high94.3Very high86 Ų8674 Ų7437%0.37438%0.376SS..EExtended strand (participates in β ladder)trans-125.5148.6179.7-60.4179.3-175.9175.80112D38 L39 Y67D38-K65 WeakPolarHBondContact OD1-CB 3.4Å; D38-K65 PolarHBondContact OD1-N 3.25Å; L39-K65 PolarHBondContact N-O 3.09Å; K65-Y67 HydrophobicContact CB-CD2 4.26Å; K65-Y67 HydrophobicContact CB-CE2 3.5Å; K65-Y67 VanDerWaalsContact CB-CE2 3.5Å; K65-Y67 HydrophobicContact CD-CE2 4.3Å; K65-Y67 VanDerWaalsContact CD-OH 3.23Å; K65-Y67 WeakPolarHBondContact CD-OH 3.29Å
66L96.1Very high94.1Very high59 Ų5970.8 Ų70.831%0.30936%0.357SS..EExtended strand (participates in β ladder)trans-112.3132.7175.2-65.486.8000108.7L39 I41 V55 L58 V63L39-L66 CarbonylContact O-C 3.56Å; L39-L66 WeakPolarHBondContact O-CA 3.21Å; I41-L66 HydrophobicContact CD1-CD2 3.87Å; V55-L66 HydrophobicContact CG1-CD1 4.04Å; V55-L66 HydrophobicContact CG2-CD2 4.31Å; L58-L66 HydrophobicContact CD1-CD2 3.7Å; V63-L66 HydrophobicContact CG1-CD1 4.09Å; V63-L66 HydrophobicContact CG1-CG 4.16Å
67Y96Very high93.9Very high61 Ų6174.6 Ų74.624%0.23937%0.37CS..EExtended strand (participates in β ladder)trans-125.7147.9179-64.3-86.1000109.6D38 L39 F40 I41 K65D38-Y67 HydrophobicContact CB-CD2 4.18Å; D38-Y67 HydrophobicContact CB-CE2 3.85Å; L39-Y67 PolarHBondContact O-N 3.38Å; F40-Y67 CarbonylContact C-O 3.52Å; F40-Y67 WeakPolarHBondContact CA-O 3.47Å; F40-Y67 VanDerWaalsContact CD1-CB 3.43Å; F40-Y67 HydrophobicContact CD1-CG 4.2Å; F40-Y67 HydrophobicContact CD2-CD2 4.2Å; F40-Y67 HydrophobicContact CE1-CD1 4.24Å; F40-Y67 HydrophobicContact CE1-CD2 4.04Å; F40-Y67 AromaticContact CE1-CG 3.63Å; F40-Y67 HydrophobicContact CE1-CG 3.63Å; F40-Y67 AromaticContact CE2-CD2 3.59Å; F40-Y67 HydrophobicContact CE2-CD2 3.59Å; F40-Y67 HydrophobicContact CE2-CE2 4.21Å; F40-Y67 HydrophobicContact CE2-CG 4.07Å; F40-Y67 HydrophobicContact CZ-CD1 4.19Å; F40-Y67 AromaticContact CZ-CD2 3.46Å; F40-Y67 HydrophobicContact CZ-CD2 3.46Å; F40-Y67 VanDerWaalsContact CZ-CD2 3.46Å; F40-Y67 HydrophobicContact CZ-CE2 4.06Å; F40-Y67 AromaticContact CZ-CG 3.53Å; F40-Y67 HydrophobicContact CZ-CG 3.53Å; I41-Y67 PolarHBondContact N-O 2.98Å; K65-Y67 HydrophobicContact CB-CD2 4.26Å; K65-Y67 HydrophobicContact CB-CE2 3.5Å; K65-Y67 VanDerWaalsContact CB-CE2 3.5Å; K65-Y67 HydrophobicContact CD-CE2 4.3Å; K65-Y67 VanDerWaalsContact CD-OH 3.23Å; K65-Y67 WeakPolarHBondContact CD-OH 3.29Å
68K96.2Very high93.8Very high103 Ų10374.1 Ų74.145%0.44837%0.368SS..EExtended strand (participates in β ladder)trans-85.2139.3166.9-174.3-177177.2-1700108.5I41 M46 E70I41-K68 WeakPolarHBondContact O-CA 3.37Å; M46-K68 HydrophobicContact SD-CB 4.25Å; M46-K68 HydrophobicContact SD-CD 4.19Å; M46-K68 HydrophobicContact SD-CG 3.94Å; K68-E70 HydrophobicContact CB-CG 4.48Å; K68-E70 HydrophobicContact CG-CG 4.45Å; K68-E70 PolarHBondContact O-N 3.47Å
69V95.4Very high93.7Very high10 Ų1079.3 Ų79.36%0.06140%0.395CS..  trans-69.1122.3168.9174.10000109F40 I41 I85 T91 W94F40-V69 HydrophobicContact CB-CG2 4.09Å; I41-V69 PolarHBondContact O-N 3.03Å; V69-I85 HydrophobicContact CG2-CG2 4.36Å; V69-T91 HydrophobicContact CG1-CG2 4.19Å; V69-W94 HydrophobicContact CG1-CE3 4.05Å; V69-W94 HydrophobicContact CG1-CH2 4.27Å; V69-W94 HydrophobicContact CG1-CZ3 3.76Å; V69-W94 HydrophobicContact CG2-CZ3 4.22Å
70E92.3Very high93.8Very high101 Ų10174.2 Ų74.247%0.47237%0.374SS..  trans-128.510-177.6-62.8-160.7149.800114K68 K72K68-E70 HydrophobicContact CB-CG 4.48Å; K68-E70 HydrophobicContact CG-CG 4.45Å; K68-E70 PolarHBondContact O-N 3.47Å; E70-K72 HydrophobicContact CB-CD 4.23Å; E70-K72 HydrophobicContact CB-CG 4.41Å; E70-K72 PolarHBondContact O-N 2.79Å; E70-K72 VanDerWaalsContact O-N 3.13Å; E70-K72 IonicContact OE2-NZ 3.42Å; E70-K72 PolarHBondContact OE2-NZ 3.03Å
71H93.3Very high93.8Very high85 Ų8567.3 Ų67.339%0.39434%0.342SS..SBendtrans52.831.1-175.8-54.6-79.4000114.5W94H71-W94 VanDerWaalsContact C-NE1 3.29Å; H71-W94 HydrophobicContact CB-CG 4.33Å; H71-W94 AromaticContact ND1-CG 3.83Å
72K91.4Very high93.9Very high121 Ų12165.8 Ų65.853%0.52634%0.335SS..SBendtrans-112.9162176-68.1171.6-166.7159.80110.4E70 I74 W94E70-K72 HydrophobicContact CB-CD 4.23Å; E70-K72 HydrophobicContact CB-CG 4.41Å; E70-K72 PolarHBondContact O-N 2.79Å; E70-K72 VanDerWaalsContact O-N 3.13Å; E70-K72 IonicContact OE2-NZ 3.42Å; E70-K72 PolarHBondContact OE2-NZ 3.03Å; K72-I74 PolarHBondContact O-N 2.95Å; K72-W94 VanDerWaalsContact O-CZ2 3.27Å; K72-W94 WeakPolarHBondContact O-CZ2 3.44Å; K72-W94 PolarHBondContact O-NE1 2.94Å
73P88.9Confident94Very high122 Ų12261.4 Ų61.479%0.79231%0.314SS*.  trans-54.3137.4171.5-25.835.2000112
74I90.3Very high94Very high28 Ų2861.3 Ų61.314%0.14431%0.313CS..  trans-81.8125-176.1-66.6-175.8000111.2F40 K72 I81 F83 W94 V98F40-I74 HydrophobicContact CD1-CD1 4.11Å; F40-I74 HydrophobicContact CE1-CB 4.46Å; F40-I74 HydrophobicContact CE1-CD1 3.79Å; F40-I74 HydrophobicContact CE1-CG1 3.87Å; F40-I74 HydrophobicContact CE1-CG2 3.94Å; F40-I74 HydrophobicContact CE2-CD1 4.24Å; F40-I74 HydrophobicContact CE2-CG2 4.09Å; F40-I74 HydrophobicContact CG-CD1 4.48Å; F40-I74 HydrophobicContact CZ-CB 4.32Å; F40-I74 HydrophobicContact CZ-CD1 3.9Å; F40-I74 HydrophobicContact CZ-CG1 4.12Å; F40-I74 HydrophobicContact CZ-CG2 3.35Å; K72-I74 PolarHBondContact O-N 2.95Å; I74-I81 HydrophobicContact CG2-CD1 4.32Å; I74-F83 HydrophobicContact CD1-CE1 3.68Å; I74-F83 HydrophobicContact CD1-CZ 3.71Å; I74-W94 HydrophobicContact CD1-CH2 3.72Å; I74-W94 HydrophobicContact CD1-CZ2 3.93Å; I74-W94 HydrophobicContact CG1-CH2 3.98Å; I74-W94 HydrophobicContact CG1-CZ2 3.7Å; I74-V98 HydrophobicContact CB-CG1 4.44Å; I74-V98 HydrophobicContact CD1-CB 4.44Å; I74-V98 HydrophobicContact CD1-CG1 3.73Å; I74-V98 HydrophobicContact CD1-CG2 3.94Å; I74-V98 HydrophobicContact CG1-CG1 4.2Å; I74-V98 HydrophobicContact CG1-CG2 3.95Å
75V84.6Confident94.1Very high131 Ų13157.5 Ų57.579%0.79429%0.293SS*.  trans-101.773.4170-168.20000109.5
76S88.6Confident94.1Very high5 Ų553.6 Ų53.64%0.03528%0.276CS..  trans-119.2140.4172.9165.40000109.6D38 S78 K107 R109D38-S76 WeakPolarHBondContact OD2-CB 3.48Å; D38-S76 PolarHBondContact OD2-OG 3.48Å; S76-S78 WeakPolarHBondContact OG-CB 3.41Å; S76-S78 PolarHBondContact OG-N 2.81Å; S76-K107 PolarHBondContact O-NZ 3.41Å; S76-R109 PolarHBondContact O-NH1 2.94Å; S76-R109 PolarHBondContact O-NH2 3.26Å
77I90.3Very high94Very high146 Ų14651 Ų5175%0.74926%0.262SS*.  trans-96.8-4.4171.862.1168.7000112.7
78S93.9Very high93.9Very high17 Ų1751.3 Ų51.312%0.11926%0.263CS..  trans-68.1142.8179.5179.30000111.2D38 S76 Q80 R109D38-S78 VanDerWaalsContact CG-CB 3.5Å; D38-S78 WeakPolarHBondContact OD2-CB 3.23Å; S76-S78 WeakPolarHBondContact OG-CB 3.41Å; S76-S78 PolarHBondContact OG-N 2.81Å; S78-Q80 WeakPolarHBondContact CB-O 3.39Å; S78-Q80 PolarHBondContact O-N 2.94Å; S78-Q80 PolarHBondContact OG-N 2.93Å; S78-Q80 VanDerWaalsContact OG-N 3.07Å; S78-Q80 PolarHBondContact OG-O 3.42Å; S78-R109 WeakPolarHBondContact O-CD 3.12Å; S78-R109 PolarHBondContact O-NH2 3.43Å
79D95.1Very high93.9Very high114 Ų11450.3 Ų50.361%0.6126%0.262SS*.SBendtrans-80.2-4.4171.7-60.4-38.7000112.3R109 R110D79-R109 CarbonylContact O-C 3.57Å; D79-R109 VanDerWaalsContact O-CA 3.31Å; D79-R109 WeakPolarHBondContact O-CA 3.34Å; D79-R109 WeakPolarHBondContact O-CB 3.29Å; D79-R110 PolarHBondContact O-N 3.44Å
80Q97.2Very high93.9Very high17 Ų1754.8 Ų54.88%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-131.6125.3178.9-51.6-174.345.100110.7L33 P34 K36 K37 D38 S78 R110L33-Q80 HydrophobicContact CD2-CB 4.45Å; L33-Q80 VanDerWaalsContact CG-OE1 3.25Å; P34-Q80 PolarHBondContact O-NE2 3.04Å; P34-Q80 PolarHBondContact O-OE1 3.27Å; K36-Q80 PolarHBondContact O-NE2 2.83Å; K37-Q80 WeakPolarHBondContact CA-O 3.46Å; K37-Q80 HydrophobicContact CB-CB 3.86Å; D38-Q80 PolarHBondContact N-O 2.86Å; S78-Q80 WeakPolarHBondContact CB-O 3.39Å; S78-Q80 PolarHBondContact O-N 2.94Å; S78-Q80 PolarHBondContact OG-N 2.93Å; S78-Q80 VanDerWaalsContact OG-N 3.07Å; S78-Q80 PolarHBondContact OG-O 3.42Å; Q80-R110 WeakPolarHBondContact CA-O 3.27Å; Q80-R110 HydrophobicContact CG-CB 4.42Å
81I97.6Very high94.1Very high0 Ų050.1 Ų50.10%026%0.26CS..EExtended strand (participates in β ladder)trans-123.5122.6179.1-56.6-173.3000108.7F40 I74 F83 R110 Y111 K112F40-I81 HydrophobicContact CD2-CG2 3.61Å; F40-I81 HydrophobicContact CE2-CG2 3.79Å; I74-I81 HydrophobicContact CG2-CD1 4.32Å; I81-F83 HydrophobicContact CB-CE2 4.39Å; I81-F83 HydrophobicContact CG2-CD2 4.2Å; I81-F83 HydrophobicContact CG2-CE1 4.01Å; I81-F83 HydrophobicContact CG2-CE2 3.57Å; I81-F83 HydrophobicContact CG2-CZ 3.45Å; I81-F83 VanDerWaalsContact CG2-CZ 3.45Å; I81-R110 PolarHBondContact N-O 3.06Å; I81-Y111 HydrophobicContact CB-CD1 4.12Å; I81-Y111 HydrophobicContact CB-CE1 4.48Å; I81-Y111 HydrophobicContact CD1-CE1 4.14Å; I81-Y111 WeakPolarHBondContact O-CA 3.44Å; I81-K112 PolarHBondContact O-N 2.69Å
82C98.3Very high94.3Very high1 Ų146 Ų461%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-110.7130.5174.7-171.30000109.2L33 D38 L39 F40 K112L33-C82 HydrophobicContact CD2-CB 4.29Å; D38-C82 PolarHBondContact O-N 3.15Å; L39-C82 CarbonylContact C-O 3.55Å; L39-C82 WeakPolarHBondContact CA-O 2.79Å; L39-C82 HydrophobicContact CD1-CB 3.88Å; F40-C82 PolarHBondContact N-O 3.35Å; C82-K112 CarbonylContact C-O 3.57Å; C82-K112 WeakPolarHBondContact CA-O 3.37Å
83F98.5Very high94.6Very high0 Ų045.1 Ų45.10%024%0.238CC..EExtended strand (participates in β ladder)trans-107.2129.6174.7-60.6-83.4000109.1F40 I74 I81 I85 W94 I95 Y111 K112 I113 I114F40-F83 HydrophobicContact CB-CD1 3.55Å; F40-F83 HydrophobicContact CB-CE1 3.92Å; F40-F83 HydrophobicContact CB-CG 4.46Å; F40-F83 HydrophobicContact CD1-CE1 4.47Å; F40-F83 HydrophobicContact CD2-CE1 4.27Å; F40-F83 HydrophobicContact CG-CD1 4.11Å; F40-F83 AromaticContact CG-CE1 3.96Å; F40-F83 HydrophobicContact CG-CE1 3.96Å; F40-F83 CarbonylContact O-C 3.46Å; F40-F83 WeakPolarHBondContact O-CA 3.42Å; I74-F83 HydrophobicContact CD1-CE1 3.68Å; I74-F83 HydrophobicContact CD1-CZ 3.71Å; I81-F83 HydrophobicContact CB-CE2 4.39Å; I81-F83 HydrophobicContact CG2-CD2 4.2Å; I81-F83 HydrophobicContact CG2-CE1 4.01Å; I81-F83 HydrophobicContact CG2-CE2 3.57Å; I81-F83 HydrophobicContact CG2-CZ 3.45Å; I81-F83 VanDerWaalsContact CG2-CZ 3.45Å; F83-I85 HydrophobicContact CB-CG2 4.21Å; F83-W94 HydrophobicContact CD1-CZ3 4.06Å; F83-W94 AromaticContact CE1-CH2 3.83Å; F83-W94 HydrophobicContact CE1-CH2 3.83Å; F83-W94 AromaticContact CE1-CZ3 3.68Å; F83-W94 HydrophobicContact CE1-CZ3 3.68Å; F83-I95 HydrophobicContact CB-CD1 3.9Å; F83-I95 HydrophobicContact CD1-CD1 3.89Å; F83-I95 HydrophobicContact CD1-CG1 3.95Å; F83-I95 HydrophobicContact CD2-CD1 4.03Å; F83-I95 HydrophobicContact CD2-CG1 4.27Å; F83-I95 HydrophobicContact CD2-CG2 4.02Å; F83-I95 HydrophobicContact CE1-CD1 4.43Å; F83-I95 HydrophobicContact CE1-CG1 3.99Å; F83-I95 HydrophobicContact CE2-CG1 4.28Å; F83-I95 HydrophobicContact CE2-CG2 3.71Å; F83-I95 HydrophobicContact CG-CD1 3.67Å; F83-I95 HydrophobicContact CG-CG1 4.1Å; F83-I95 HydrophobicContact CZ-CG1 4.15Å; F83-I95 HydrophobicContact CZ-CG2 4.12Å; F83-Y111 HydrophobicContact CE2-CD1 4.22Å; F83-K112 PolarHBondContact N-O 2.77Å; F83-I113 HydrophobicContact CB-CG1 4.34Å; F83-I113 HydrophobicContact CD2-CG1 4.2Å; F83-I114 PolarHBondContact O-N 3.12Å
84L98.4Very high95.1Very high1 Ų140.4 Ų40.41%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-113104.8171.4177.563.1000108.1L39 F40 I41 E42 L45 L49 I114 T116 W141L39-L84 HydrophobicContact CD1-CB 4.17Å; F40-L84 PolarHBondContact O-N 2.9Å; I41-L84 HydrophobicContact CG1-CB 4.46Å; I41-L84 HydrophobicContact CG2-CD2 4.26Å; E42-L84 PolarHBondContact N-O 2.88Å; L45-L84 HydrophobicContact CD1-CG 4.18Å; L49-L84 HydrophobicContact CD1-CD2 4.35Å; L49-L84 HydrophobicContact CD2-CD2 4.02Å; L84-I114 HydrophobicContact CD1-CB 4.04Å; L84-I114 HydrophobicContact CD1-CG2 3.78Å; L84-T116 HydrophobicContact CD1-CG2 4.13Å; L84-W141 HydrophobicContact CD1-CE3 3.84Å; L84-W141 HydrophobicContact CD1-CZ3 4.32Å; L84-W141 HydrophobicContact CD2-CZ3 4.22Å
85I97.9Very high95.4Very high0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-138.5155.7-167.965.7168.9000112.4E42 V69 F83 T91 V92 I95 I113 I114 F115 T116E42-I85 HydrophobicContact CB-CG2 4.43Å; V69-I85 HydrophobicContact CG2-CG2 4.36Å; F83-I85 HydrophobicContact CB-CG2 4.21Å; I85-T91 HydrophobicContact CB-CG2 4.19Å; I85-T91 HydrophobicContact CD1-CG2 3.95Å; I85-T91 HydrophobicContact CG2-CG2 3.81Å; I85-V92 HydrophobicContact CD1-CG2 4.02Å; I85-I95 HydrophobicContact CD1-CD1 3.78Å; I85-I113 HydrophobicContact CD1-CG2 3.71Å; I85-I113 HydrophobicContact CG1-CG2 3.76Å; I85-I114 PolarHBondContact N-O 3.31Å; I85-I114 VanDerWaalsContact N-O 3.09Å; I85-F115 HydrophobicContact CD1-CD1 4.22Å; I85-F115 HydrophobicContact CD1-CE1 3.82Å; I85-F115 HydrophobicContact CG1-CD1 4.07Å; I85-F115 HydrophobicContact CG1-CE1 4.19Å; I85-F115 CarbonylContact O-C 3.54Å; I85-F115 WeakPolarHBondContact O-CA 3.49Å; I85-T116 PolarHBondContact O-N 2.88Å
86R95.5Very high96.1Very high4 Ų432.8 Ų32.82%0.01516%0.159CC..  trans-69.7153.1158.4-62.9-59.7-163-170.92.7109.1E42 L45 R88 T116 P117 L155 E156E42-R86 WeakPolarHBondContact OE2-CA 3.41Å; E42-R86 VanDerWaalsContact OE2-CB 3.25Å; E42-R86 WeakPolarHBondContact OE2-CB 3.47Å; E42-R86 PolarHBondContact OE2-N 3.01Å; L45-R86 HydrophobicContact CD1-CG 4.4Å; L45-R86 HydrophobicContact CD2-CG 4.46Å; L45-R86 HydrophobicContact CG-CG 4.39Å; R86-R88 HydrophobicContact CB-CG 4.24Å; R86-R88 PolarHBondContact O-N 2.72Å; R86-T116 WeakPolarHBondContact CD-O 3.45Å; R86-T116 PolarHBondContact NH1-O 2.7Å; R86-P117 VanDerWaalsContact NH1-CD 3.33Å; R86-L155 PolarHBondContact NH2-O 3.13Å; R86-E156 PolarHBondContact NH2-O 2.96Å
87P95Very high96.5Very high3 Ų337.1 Ų37.12%0.01918%0.182CC..SBendtrans-74.766179.834-40.3000112.3F115 T116 Q118 F120 W172P87-F115 HydrophobicContact CB-CD1 3.88Å; P87-F115 HydrophobicContact CB-CE1 4.37Å; P87-T116 WeakPolarHBondContact CD-O 3.45Å; P87-Q118 WeakPolarHBondContact CG-O 3.48Å; P87-F120 HydrophobicContact CB-CB 4.21Å; P87-F120 HydrophobicContact CB-CD2 3.47Å; P87-F120 VanDerWaalsContact CB-CD2 3.47Å; P87-F120 HydrophobicContact CB-CE2 4.03Å; P87-F120 HydrophobicContact CB-CG 3.93Å; P87-F120 HydrophobicContact CG-CD2 3.37Å; P87-F120 HydrophobicContact CG-CE2 3.36Å; P87-F120 HydrophobicContact CG-CG 4.06Å; P87-F120 HydrophobicContact CG-CZ 4.1Å; P87-W172 HydrophobicContact CG-CH2 3.96Å
88R94.2Very high96.8Very high69 Ų6930.6 Ų30.626%0.2615%0.149SC..  trans-100.6127.2177.7-64.9-178.7-176.71421.2110.7E42 D44 R86 Q90 T91 V92 E159E42-R88 WeakPolarHBondContact OE1-CD 3.46Å; E42-R88 IonicContact OE1-CZ 3.58Å; E42-R88 IonicContact OE1-NE 2.76Å; E42-R88 IonicContact OE1-NH1 2.79Å; E42-R88 PolarHBondContact OE1-NH1 3.46Å; E42-R88 IonicContact OE2-NH1 3.23Å; D44-R88 IonicContact OD2-CZ 3.6Å; D44-R88 IonicContact OD2-NH1 3.57Å; D44-R88 PolarHBondContact OD2-NH1 3.35Å; D44-R88 IonicContact OD2-NH2 3.28Å; D44-R88 PolarHBondContact OD2-NH2 2.97Å; R86-R88 HydrophobicContact CB-CG 4.24Å; R86-R88 PolarHBondContact O-N 2.72Å; R88-Q90 VanDerWaalsContact C-N 3.29Å; R88-Q90 PolarHBondContact O-N 2.86Å; R88-T91 PolarHBondContact O-N 3.07Å; R88-T91 VanDerWaalsContact O-N 3.17Å; R88-V92 WeakPolarHBondContact O-CG2 3.31Å; R88-V92 PolarHBondContact O-N 2.52Å; R88-V92 VanDerWaalsContact O-N 3.08Å; R88-E159 IonicContact CZ-OE1 2.92Å; R88-E159 IonicContact NE-OE1 3.3Å; R88-E159 IonicContact NH2-OE1 3.96Å; R88-E159 PolarHBondContact NH2-OE1 3.19Å; R88-E159 IonicContact NH2-OE2 2.67Å
89I95.3Very high96.9Very high82 Ų8229.9 Ų29.942%0.42114%0.144SC..Hα-helixtrans-57-42.4-178.9-67.8174.4000111.6T91 V92 K93 A122 V126I89-T91 VanDerWaalsContact C-N 3.34Å; I89-T91 PolarHBondContact O-N 2.84Å; I89-V92 PolarHBondContact O-N 2.76Å; I89-K93 HydrophobicContact CG2-CD 4.14Å; I89-K93 HydrophobicContact CG2-CG 4.31Å; I89-K93 WeakPolarHBondContact O-CG 3.35Å; I89-K93 PolarHBondContact O-N 2.72Å; I89-A122 HydrophobicContact CD1-CB 4.25Å; I89-V126 HydrophobicContact CG2-CG2 4.03Å
90Q95.1Very high97Very high104 Ų10427 Ų2749%0.48613%0.128SC..Hα-helixtrans-60.5-42.7179.7-174.8178.410.200112.3R88 K93 W94R88-Q90 VanDerWaalsContact C-N 3.29Å; R88-Q90 PolarHBondContact O-N 2.86Å; Q90-K93 PolarHBondContact O-N 3.06Å; Q90-W94 PolarHBondContact O-N 3.03Å
91T97.1Very high96.9Very high2 Ų229 Ų291%0.01215%0.148CC..Hα-helixtrans-66.2-42.4177.5-51.50000111.3E42 V69 I85 R88 I89 W94 I95E42-T91 PolarHBondContact OE1-OG1 3.24Å; V69-T91 HydrophobicContact CG1-CG2 4.19Å; I85-T91 HydrophobicContact CB-CG2 4.19Å; I85-T91 HydrophobicContact CD1-CG2 3.95Å; I85-T91 HydrophobicContact CG2-CG2 3.81Å; R88-T91 PolarHBondContact O-N 3.07Å; R88-T91 VanDerWaalsContact O-N 3.17Å; I89-T91 VanDerWaalsContact C-N 3.34Å; I89-T91 PolarHBondContact O-N 2.84Å; T91-W94 PolarHBondContact O-N 3.4Å; T91-I95 HydrophobicContact CG2-CD1 4.43Å; T91-I95 WeakPolarHBondContact O-CG1 3.37Å; T91-I95 PolarHBondContact O-N 3.41Å
92V98.1Very high96.8Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-65.3-41.5177.2177.50000111.6I85 R88 I89 W94 I95 C96 F115 C123 V126 L127I85-V92 HydrophobicContact CD1-CG2 4.02Å; R88-V92 WeakPolarHBondContact O-CG2 3.31Å; R88-V92 PolarHBondContact O-N 2.52Å; R88-V92 VanDerWaalsContact O-N 3.08Å; I89-V92 PolarHBondContact O-N 2.76Å; V92-W94 VanDerWaalsContact C-N 3.35Å; V92-W94 PolarHBondContact O-N 3.09Å; V92-I95 PolarHBondContact O-N 3.1Å; V92-I95 VanDerWaalsContact O-N 3.14Å; V92-C96 PolarHBondContact O-N 3.19Å; V92-C96 PolarHBondContact O-SG 3.48Å; V92-F115 HydrophobicContact CG2-CE1 3.79Å; V92-F115 HydrophobicContact CG2-CZ 4.01Å; V92-C123 HydrophobicContact CG2-CB 3.95Å; V92-V126 HydrophobicContact CB-CG1 4.5Å; V92-V126 HydrophobicContact CG1-CB 4.2Å; V92-V126 HydrophobicContact CG1-CG1 3.88Å; V92-L127 HydrophobicContact CG1-CD2 3.92Å; V92-L127 HydrophobicContact CG1-CG 3.9Å
93K97.7Very high96.6Very high102 Ų10233.5 Ų33.544%0.44317%0.168SC..Hα-helixtrans-58.2-46.1173.7-76.4-176.2175.3-175.70111.8I89 Q90 I95 C96 D97 V126I89-K93 HydrophobicContact CG2-CD 4.14Å; I89-K93 HydrophobicContact CG2-CG 4.31Å; I89-K93 WeakPolarHBondContact O-CG 3.35Å; I89-K93 PolarHBondContact O-N 2.72Å; Q90-K93 PolarHBondContact O-N 3.06Å; K93-I95 VanDerWaalsContact C-N 3.31Å; K93-I95 PolarHBondContact O-N 3.5Å; K93-C96 WeakPolarHBondContact O-CA 3.46Å; K93-C96 VanDerWaalsContact O-CB 3.26Å; K93-C96 WeakPolarHBondContact O-CB 3.38Å; K93-C96 PolarHBondContact O-N 2.93Å; K93-D97 PolarHBondContact O-N 3.31Å; K93-V126 HydrophobicContact CG-CG1 3.68Å
94W97.9Very high96.4Very high22 Ų2237.9 Ų37.98%0.08320%0.204CC..Hα-helixtrans-60.2-39.5175168.373.2000112.5F40 V69 H71 K72 I74 F83 Q90 T91 V92 C96 D97 V98F40-W94 HydrophobicContact CD1-CH2 4.38Å; V69-W94 HydrophobicContact CG1-CE3 4.05Å; V69-W94 HydrophobicContact CG1-CH2 4.27Å; V69-W94 HydrophobicContact CG1-CZ3 3.76Å; V69-W94 HydrophobicContact CG2-CZ3 4.22Å; H71-W94 VanDerWaalsContact C-NE1 3.29Å; H71-W94 HydrophobicContact CB-CG 4.33Å; H71-W94 AromaticContact ND1-CG 3.83Å; K72-W94 VanDerWaalsContact O-CZ2 3.27Å; K72-W94 WeakPolarHBondContact O-CZ2 3.44Å; K72-W94 PolarHBondContact O-NE1 2.94Å; I74-W94 HydrophobicContact CD1-CH2 3.72Å; I74-W94 HydrophobicContact CD1-CZ2 3.93Å; I74-W94 HydrophobicContact CG1-CH2 3.98Å; I74-W94 HydrophobicContact CG1-CZ2 3.7Å; F83-W94 HydrophobicContact CD1-CZ3 4.06Å; F83-W94 AromaticContact CE1-CH2 3.83Å; F83-W94 HydrophobicContact CE1-CH2 3.83Å; F83-W94 AromaticContact CE1-CZ3 3.68Å; F83-W94 HydrophobicContact CE1-CZ3 3.68Å; Q90-W94 PolarHBondContact O-N 3.03Å; T91-W94 PolarHBondContact O-N 3.4Å; V92-W94 VanDerWaalsContact C-N 3.35Å; V92-W94 PolarHBondContact O-N 3.09Å; W94-C96 VanDerWaalsContact C-N 3.31Å; W94-C96 PolarHBondContact O-N 3.07Å; W94-D97 WeakPolarHBondContact O-CB 3.49Å; W94-D97 PolarHBondContact O-N 3.34Å; W94-V98 HydrophobicContact CD2-CG2 4.42Å; W94-V98 HydrophobicContact CZ2-CG2 3.98Å; W94-V98 WeakPolarHBondContact O-CG2 3.47Å; W94-V98 PolarHBondContact O-N 3.41Å
95I98.1Very high96.3Very high0 Ų041.6 Ų41.60%024%0.235CC..Hα-helixtrans-63.2-39.5174-65.6167000110.7F83 I85 T91 V92 K93 D97 V98 V99 I113F83-I95 HydrophobicContact CB-CD1 3.9Å; F83-I95 HydrophobicContact CD1-CD1 3.89Å; F83-I95 HydrophobicContact CD1-CG1 3.95Å; F83-I95 HydrophobicContact CD2-CD1 4.03Å; F83-I95 HydrophobicContact CD2-CG1 4.27Å; F83-I95 HydrophobicContact CD2-CG2 4.02Å; F83-I95 HydrophobicContact CE1-CD1 4.43Å; F83-I95 HydrophobicContact CE1-CG1 3.99Å; F83-I95 HydrophobicContact CE2-CG1 4.28Å; F83-I95 HydrophobicContact CE2-CG2 3.71Å; F83-I95 HydrophobicContact CG-CD1 3.67Å; F83-I95 HydrophobicContact CG-CG1 4.1Å; F83-I95 HydrophobicContact CZ-CG1 4.15Å; F83-I95 HydrophobicContact CZ-CG2 4.12Å; I85-I95 HydrophobicContact CD1-CD1 3.78Å; T91-I95 HydrophobicContact CG2-CD1 4.43Å; T91-I95 WeakPolarHBondContact O-CG1 3.37Å; T91-I95 PolarHBondContact O-N 3.41Å; V92-I95 PolarHBondContact O-N 3.1Å; V92-I95 VanDerWaalsContact O-N 3.14Å; K93-I95 VanDerWaalsContact C-N 3.31Å; K93-I95 PolarHBondContact O-N 3.5Å; I95-D97 VanDerWaalsContact C-N 3.32Å; I95-D97 PolarHBondContact O-N 2.9Å; I95-V98 WeakPolarHBondContact O-CB 3.36Å; I95-V98 PolarHBondContact O-N 3.18Å; I95-V99 HydrophobicContact CG2-CG2 4.43Å; I95-V99 WeakPolarHBondContact O-CG2 3.36Å; I95-V99 PolarHBondContact O-N 3.11Å; I95-I113 HydrophobicContact CD1-CD1 3.94Å; I95-I113 HydrophobicContact CD1-CG1 4.16Å; I95-I113 HydrophobicContact CG2-CD1 4Å; I95-I113 HydrophobicContact CG2-CG1 4.43Å
96C97.9Very high96.1Very high0 Ų044 Ų440%026%0.26CS..Hα-helixtrans-59.6-43.6174.5-58.60000111.4V92 K93 W94 V98 V99 N100 Q130 V132V92-C96 PolarHBondContact O-N 3.19Å; V92-C96 PolarHBondContact O-SG 3.48Å; K93-C96 WeakPolarHBondContact O-CA 3.46Å; K93-C96 VanDerWaalsContact O-CB 3.26Å; K93-C96 WeakPolarHBondContact O-CB 3.38Å; K93-C96 PolarHBondContact O-N 2.93Å; W94-C96 VanDerWaalsContact C-N 3.31Å; W94-C96 PolarHBondContact O-N 3.07Å; C96-V98 VanDerWaalsContact C-N 3.31Å; C96-V98 PolarHBondContact O-N 3.23Å; C96-V99 PolarHBondContact O-N 3.08Å; C96-N100 WeakPolarHBondContact O-CB 3.49Å; C96-N100 PolarHBondContact O-N 2.78Å; C96-N100 PolarHBondContact O-ND2 3.32Å; C96-Q130 HydrophobicContact CB-CB 3.76Å; C96-Q130 HydrophobicContact CB-CG 3.83Å; C96-V132 HydrophobicContact CB-CG2 4.01Å; C96-V132 VanDerWaalsContact SG-CG2 3.58Å
97D97Very high96Very high95 Ų9547.3 Ų47.351%0.50827%0.274SS..Hα-helixtrans-60.8-40.8177-63-31.1000111.7K93 W94 I95 A101K93-D97 PolarHBondContact O-N 3.31Å; W94-D97 WeakPolarHBondContact O-CB 3.49Å; W94-D97 PolarHBondContact O-N 3.34Å; I95-D97 VanDerWaalsContact C-N 3.32Å; I95-D97 PolarHBondContact O-N 2.9Å; D97-A101 VanDerWaalsContact O-CB 3.24Å; D97-A101 WeakPolarHBondContact O-CB 3.23Å; D97-A101 PolarHBondContact O-N 3.26Å
98V96.3Very high95.7Very high10 Ų1055.6 Ų55.66%0.06131%0.31CS..Hα-helixtrans-61.2-49175.2169.30000111.3I74 W94 I95 C96 A101 D102I74-V98 HydrophobicContact CB-CG1 4.44Å; I74-V98 HydrophobicContact CD1-CB 4.44Å; I74-V98 HydrophobicContact CD1-CG1 3.73Å; I74-V98 HydrophobicContact CD1-CG2 3.94Å; I74-V98 HydrophobicContact CG1-CG1 4.2Å; I74-V98 HydrophobicContact CG1-CG2 3.95Å; W94-V98 HydrophobicContact CD2-CG2 4.42Å; W94-V98 HydrophobicContact CZ2-CG2 3.98Å; W94-V98 WeakPolarHBondContact O-CG2 3.47Å; W94-V98 PolarHBondContact O-N 3.41Å; I95-V98 WeakPolarHBondContact O-CB 3.36Å; I95-V98 PolarHBondContact O-N 3.18Å; C96-V98 VanDerWaalsContact C-N 3.31Å; C96-V98 PolarHBondContact O-N 3.23Å; V98-A101 PolarHBondContact O-N 3.26Å; V98-D102 PolarHBondContact O-N 3.36Å
99V96.9Very high95.8Very high1 Ų153.4 Ų53.41%0.00630%0.302CS..Hα-helixtrans-63.1-44.9-179.4174.80000110.5I95 C96 A101 D102 K103 Y111 V132 D135 V136I95-V99 HydrophobicContact CG2-CG2 4.43Å; I95-V99 WeakPolarHBondContact O-CG2 3.36Å; I95-V99 PolarHBondContact O-N 3.11Å; C96-V99 PolarHBondContact O-N 3.08Å; V99-A101 PolarHBondContact O-N 2.92Å; V99-D102 PolarHBondContact O-N 3.38Å; V99-K103 WeakPolarHBondContact O-CG 3.41Å; V99-K103 PolarHBondContact O-N 2.83Å; V99-Y111 HydrophobicContact CB-CE2 4.44Å; V99-Y111 HydrophobicContact CG1-CD2 4.32Å; V99-Y111 HydrophobicContact CG1-CE2 4.07Å; V99-Y111 HydrophobicContact CG2-CD1 3.88Å; V99-Y111 HydrophobicContact CG2-CD2 3.88Å; V99-Y111 HydrophobicContact CG2-CE1 3.97Å; V99-Y111 HydrophobicContact CG2-CE2 3.98Å; V99-Y111 HydrophobicContact CG2-CG 3.83Å; V99-V132 HydrophobicContact CB-CG1 4.1Å; V99-V132 HydrophobicContact CG1-CB 4.09Å; V99-V132 HydrophobicContact CG1-CG1 3.73Å; V99-D135 HydrophobicContact CG1-CB 4.1Å; V99-V136 HydrophobicContact CG2-CG2 3.99Å
100N96.6Very high95.8Very high53 Ų5355.3 Ų55.328%0.28330%0.304SS..Hα-helixtrans-66.7-36.3179.1-77.8-31.9000112.5C96 K103 A104 Q130 V132C96-N100 WeakPolarHBondContact O-CB 3.49Å; C96-N100 PolarHBondContact O-N 2.78Å; C96-N100 PolarHBondContact O-ND2 3.32Å; N100-K103 PolarHBondContact O-N 2.99Å; N100-A104 WeakPolarHBondContact O-CB 3.42Å; N100-A104 PolarHBondContact O-N 2.94Å; N100-Q130 PolarHBondContact ND2-O 2.77Å; N100-V132 VanDerWaalsContact OD1-CG1 3.28Å; N100-V132 WeakPolarHBondContact OD1-CG1 3.39Å
101A95.4Very high96Very high59 Ų5950.9 Ų50.949%0.48828%0.283SS..Hα-helixtrans-64.6-42.8173.600000112D97 V98 V99 A104 A105D97-A101 VanDerWaalsContact O-CB 3.24Å; D97-A101 WeakPolarHBondContact O-CB 3.23Å; D97-A101 PolarHBondContact O-N 3.26Å; V98-A101 PolarHBondContact O-N 3.26Å; V99-A101 PolarHBondContact O-N 2.92Å; A101-A104 PolarHBondContact O-N 3.5Å; A101-A105 WeakPolarHBondContact O-CB 3.31Å; A101-A105 PolarHBondContact O-N 3.09Å
102D95.6Very high96Very high20 Ų2051 Ų5111%0.10728%0.283CS..Hα-helixtrans-63.6-43.9175.6-84.7-18.1000110.8V98 V99 A104 A105 G106 K107 R109 Y111V98-D102 PolarHBondContact O-N 3.36Å; V99-D102 PolarHBondContact O-N 3.38Å; D102-A104 PolarHBondContact O-N 3.3Å; D102-A105 CarbonylContact O-C 3.48Å; D102-A105 PolarHBondContact O-N 3.22Å; D102-A105 VanDerWaalsContact O-N 3.16Å; D102-G106 PolarHBondContact O-N 3.48Å; D102-K107 CarbonylContact C-O 3.57Å; D102-K107 HydrophobicContact CB-CB 4.14Å; D102-K107 WeakPolarHBondContact O-CB 3.38Å; D102-K107 PolarHBondContact O-N 3.12Å; D102-K107 WeakPolarHBondContact OD1-CD 3.42Å; D102-R109 IonicContact OD1-NE 3.55Å; D102-R109 IonicContact OD1-NH1 2.68Å; D102-R109 IonicContact OD2-CZ 3.79Å; D102-R109 IonicContact OD2-NE 3.51Å; D102-R109 PolarHBondContact OD2-NE 2.86Å; D102-R109 IonicContact OD2-NH1 2.72Å; D102-R109 PolarHBondContact OD2-NH1 3.15Å; D102-Y111 WeakPolarHBondContact CB-OH 3.18Å; D102-Y111 VanDerWaalsContact CG-OH 3.23Å; D102-Y111 PolarHBondContact OD2-OH 3.32Å
103K94.1Very high96Very high76 Ų7651 Ų5133%0.3328%0.283SS..Hα-helixtrans-57.6-47.1173-74.8179.7178.4-177.80112.4V99 N100 A105 G106 G131 D135V99-K103 WeakPolarHBondContact O-CG 3.41Å; V99-K103 PolarHBondContact O-N 2.83Å; N100-K103 PolarHBondContact O-N 2.99Å; K103-A105 PolarHBondContact O-N 2.83Å; K103-G106 PolarHBondContact O-N 3.01Å; K103-G131 PolarHBondContact NZ-O 2.68Å; K103-D135 WeakPolarHBondContact CE-OD1 3.06Å; K103-D135 VanDerWaalsContact CE-OD2 3.28Å; K103-D135 WeakPolarHBondContact CE-OD2 3.45Å; K103-D135 IonicContact NZ-OD1 3.61Å; K103-D135 PolarHBondContact NZ-OD1 3.29Å; K103-D135 IonicContact NZ-OD2 2.83Å; K103-D135 PolarHBondContact NZ-OD2 3.19Å
104A95.3Very high96.1Very high92 Ų9246.1 Ų46.176%0.7626%0.262SS*.Hα-helixtrans-62.7-31.5178.500000112.3N100 A101 D102 G106N100-A104 WeakPolarHBondContact O-CB 3.42Å; N100-A104 PolarHBondContact O-N 2.94Å; A101-A104 PolarHBondContact O-N 3.5Å; D102-A104 PolarHBondContact O-N 3.3Å; A104-G106 VanDerWaalsContact C-N 3.29Å
105A94.8Very high96.1Very high80 Ų8045 Ų4566%0.66126%0.258SS*.THydrogen-bonded Turntrans-82.61174.600000113.9A101 D102 K103 K107A101-A105 WeakPolarHBondContact O-CB 3.31Å; A101-A105 PolarHBondContact O-N 3.09Å; D102-A105 CarbonylContact O-C 3.48Å; D102-A105 PolarHBondContact O-N 3.22Å; D102-A105 VanDerWaalsContact O-N 3.16Å; K103-A105 PolarHBondContact O-N 2.83Å; A105-K107 PolarHBondContact O-N 2.94Å
106G94.3Very high96Very high49 Ų4945 Ų4551%0.50526%0.258SS..THydrogen-bonded Turntrans68.721.3-175.800000113.8D102 K103 A104 F108D102-G106 PolarHBondContact O-N 3.48Å; K103-G106 PolarHBondContact O-N 3.01Å; A104-G106 VanDerWaalsContact C-N 3.29Å; G106-F108 WeakPolarHBondContact O-CD2 3.22Å; G106-F108 WeakPolarHBondContact O-CE2 3.08Å
107K92.9Very high95.8Very high74 Ų7445.1 Ų45.132%0.32226%0.258SS..  trans-95122.7179.7-165.9179.4-169.9171.40110.2S76 D102 A105 R109S76-K107 PolarHBondContact O-NZ 3.41Å; D102-K107 CarbonylContact C-O 3.57Å; D102-K107 HydrophobicContact CB-CB 4.14Å; D102-K107 WeakPolarHBondContact O-CB 3.38Å; D102-K107 PolarHBondContact O-N 3.12Å; D102-K107 WeakPolarHBondContact OD1-CD 3.42Å; A105-K107 PolarHBondContact O-N 2.94Å; K107-R109 HydrophobicContact CD-CG 4.46Å; K107-R109 VanDerWaalsContact CE-NE 3.3Å; K107-R109 VanDerWaalsContact CE-NH2 3.35Å; K107-R109 HydrophobicContact CG-CG 4.28Å
108F90.1Very high95.6Very high177 Ų17741.2 Ų41.278%0.77624%0.237SC*.  trans-107.5115.3179.6-60.6-82.1000110.1G106G106-F108 WeakPolarHBondContact O-CD2 3.22Å; G106-F108 WeakPolarHBondContact O-CE2 3.08Å
109R94.5Very high95.5Very high24 Ų2444.3 Ų44.39%0.09125%0.25CC..  trans-126.3164.6174.9-52-170.8-151.3-139.8-143.5110.7S76 S78 D79 D102 K107 Y111S76-R109 PolarHBondContact O-NH1 2.94Å; S76-R109 PolarHBondContact O-NH2 3.26Å; S78-R109 WeakPolarHBondContact O-CD 3.12Å; S78-R109 PolarHBondContact O-NH2 3.43Å; D79-R109 CarbonylContact O-C 3.57Å; D79-R109 VanDerWaalsContact O-CA 3.31Å; D79-R109 WeakPolarHBondContact O-CA 3.34Å; D79-R109 WeakPolarHBondContact O-CB 3.29Å; D102-R109 IonicContact OD1-NE 3.55Å; D102-R109 IonicContact OD1-NH1 2.68Å; D102-R109 IonicContact OD2-CZ 3.79Å; D102-R109 IonicContact OD2-NE 3.51Å; D102-R109 PolarHBondContact OD2-NE 2.86Å; D102-R109 IonicContact OD2-NH1 2.72Å; D102-R109 PolarHBondContact OD2-NH1 3.15Å; K107-R109 HydrophobicContact CD-CG 4.46Å; K107-R109 VanDerWaalsContact CE-NE 3.3Å; K107-R109 VanDerWaalsContact CE-NH2 3.35Å; K107-R109 HydrophobicContact CG-CG 4.28Å; R109-Y111 HydrophobicContact CB-CE1 4.22Å; R109-Y111 HydrophobicContact CB-CE2 3.96Å; R109-Y111 WeakPolarHBondContact O-CE2 3.22Å
110R96.8Very high95.3Very high121 Ų12145.7 Ų45.746%0.45726%0.256SS..EExtended strand (participates in β ladder)trans-92.8125.5167-63.5-168.2-73168.1-3.3109.9L33 P34 D79 Q80 I81L33-R110 HydrophobicContact CD1-CB 4.32Å; P34-R110 PolarHBondContact O-NH2 3.35Å; D79-R110 PolarHBondContact O-N 3.44Å; Q80-R110 WeakPolarHBondContact CA-O 3.27Å; Q80-R110 HydrophobicContact CG-CB 4.42Å; I81-R110 PolarHBondContact N-O 3.06Å
111Y97.9Very high95.2Very high11 Ų1151.3 Ų51.34%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-110.6135.9177.7-55.2-85.1000110.7I81 F83 V99 D102 R109 T137I81-Y111 HydrophobicContact CB-CD1 4.12Å; I81-Y111 HydrophobicContact CB-CE1 4.48Å; I81-Y111 HydrophobicContact CD1-CE1 4.14Å; I81-Y111 WeakPolarHBondContact O-CA 3.44Å; F83-Y111 HydrophobicContact CE2-CD1 4.22Å; V99-Y111 HydrophobicContact CB-CE2 4.44Å; V99-Y111 HydrophobicContact CG1-CD2 4.32Å; V99-Y111 HydrophobicContact CG1-CE2 4.07Å; V99-Y111 HydrophobicContact CG2-CD1 3.88Å; V99-Y111 HydrophobicContact CG2-CD2 3.88Å; V99-Y111 HydrophobicContact CG2-CE1 3.97Å; V99-Y111 HydrophobicContact CG2-CE2 3.98Å; V99-Y111 HydrophobicContact CG2-CG 3.83Å; D102-Y111 WeakPolarHBondContact CB-OH 3.18Å; D102-Y111 VanDerWaalsContact CG-OH 3.23Å; D102-Y111 PolarHBondContact OD2-OH 3.32Å; R109-Y111 HydrophobicContact CB-CE1 4.22Å; R109-Y111 HydrophobicContact CB-CE2 3.96Å; R109-Y111 WeakPolarHBondContact O-CE2 3.22Å; Y111-T137 PolarHBondContact O-N 2.94Å; Y111-T137 PolarHBondContact O-OG1 3.11Å
112K98.3Very high95.2Very high4 Ų450.8 Ų50.82%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-130.3134.2172.1-177.9165.5-179153.70110.3L29 L33 I81 C82 F83 I114 T137 D139L29-K112 WeakPolarHBondContact O-CE 3.37Å; L29-K112 PolarHBondContact O-NZ 3.09Å; L33-K112 HydrophobicContact CB-CD 4.04Å; L33-K112 HydrophobicContact CD2-CB 3.87Å; L33-K112 HydrophobicContact CD2-CD 4.31Å; I81-K112 PolarHBondContact O-N 2.69Å; C82-K112 CarbonylContact C-O 3.57Å; C82-K112 WeakPolarHBondContact CA-O 3.37Å; F83-K112 PolarHBondContact N-O 2.77Å; K112-I114 HydrophobicContact CD-CG1 4.43Å; K112-I114 HydrophobicContact CG-CG1 4.27Å; K112-T137 CarbonylContact C-O 3.5Å; K112-T137 VanDerWaalsContact CA-O 3.27Å; K112-T137 WeakPolarHBondContact CA-O 3.49Å; K112-T137 WeakPolarHBondContact CA-OG1 3.43Å; K112-T137 WeakPolarHBondContact CB-OG1 3.43Å; K112-D139 WeakPolarHBondContact CE-OD2 3.44Å; K112-D139 IonicContact NZ-OD2 3.33Å; K112-D139 PolarHBondContact NZ-OD2 2.8Å
113I98.6Very high95.2Very high0 Ų049.8 Ų49.80%027%0.265CS..EExtended strand (participates in β ladder)trans-112.6121.6169.2-56.5174.9000108.5F83 I85 I95 F115 L127 V136 T137 T138 D139F83-I113 HydrophobicContact CB-CG1 4.34Å; F83-I113 HydrophobicContact CD2-CG1 4.2Å; I85-I113 HydrophobicContact CD1-CG2 3.71Å; I85-I113 HydrophobicContact CG1-CG2 3.76Å; I95-I113 HydrophobicContact CD1-CD1 3.94Å; I95-I113 HydrophobicContact CD1-CG1 4.16Å; I95-I113 HydrophobicContact CG2-CD1 4Å; I95-I113 HydrophobicContact CG2-CG1 4.43Å; I113-F115 HydrophobicContact CB-CE2 4.15Å; I113-F115 HydrophobicContact CB-CZ 4.42Å; I113-F115 HydrophobicContact CD1-CZ 4.44Å; I113-F115 HydrophobicContact CG2-CD1 4.15Å; I113-F115 HydrophobicContact CG2-CD2 3.89Å; I113-F115 HydrophobicContact CG2-CE1 3.88Å; I113-F115 HydrophobicContact CG2-CE2 3.59Å; I113-F115 HydrophobicContact CG2-CG 4.17Å; I113-F115 HydrophobicContact CG2-CZ 3.59Å; I113-L127 HydrophobicContact CD1-CD1 4.43Å; I113-L127 HydrophobicContact CD1-CD2 4.23Å; I113-V136 HydrophobicContact CB-CG1 4.43Å; I113-V136 HydrophobicContact CD1-CG1 3.62Å; I113-V136 HydrophobicContact CG1-CG1 3.58Å; I113-T137 PolarHBondContact N-O 3.19Å; I113-T138 HydrophobicContact CB-CG2 4.35Å; I113-T138 CarbonylContact O-C 3.6Å; I113-T138 VanDerWaalsContact O-CA 3.3Å; I113-T138 WeakPolarHBondContact O-CA 3.23Å; I113-D139 PolarHBondContact O-N 3.1Å
114I98.6Very high95.3Very high0 Ų047.7 Ų47.70%026%0.256CS..EExtended strand (participates in β ladder)trans-101.8105.8169.1-58.8174.5000106.9L29 L30 F83 L84 I85 K112 D139 W141L29-I114 HydrophobicContact CB-CD1 3.94Å; L29-I114 HydrophobicContact CD1-CG2 3.94Å; L30-I114 HydrophobicContact CD2-CD1 4.35Å; F83-I114 PolarHBondContact O-N 3.12Å; L84-I114 HydrophobicContact CD1-CB 4.04Å; L84-I114 HydrophobicContact CD1-CG2 3.78Å; I85-I114 PolarHBondContact N-O 3.31Å; I85-I114 VanDerWaalsContact N-O 3.09Å; K112-I114 HydrophobicContact CD-CG1 4.43Å; K112-I114 HydrophobicContact CG-CG1 4.27Å; I114-D139 WeakPolarHBondContact CA-O 3.29Å; I114-W141 HydrophobicContact CG2-CB 3.56Å
115F98.1Very high95.4Very high0 Ų044.2 Ų44.20%023%0.227CC..EExtended strand (participates in β ladder)trans-79139.2173.7-68.5-77.8000110.3I85 P87 V92 I113 K119 C123 T138 D139 E140 W141I85-F115 HydrophobicContact CD1-CD1 4.22Å; I85-F115 HydrophobicContact CD1-CE1 3.82Å; I85-F115 HydrophobicContact CG1-CD1 4.07Å; I85-F115 HydrophobicContact CG1-CE1 4.19Å; I85-F115 CarbonylContact O-C 3.54Å; I85-F115 WeakPolarHBondContact O-CA 3.49Å; P87-F115 HydrophobicContact CB-CD1 3.88Å; P87-F115 HydrophobicContact CB-CE1 4.37Å; V92-F115 HydrophobicContact CG2-CE1 3.79Å; V92-F115 HydrophobicContact CG2-CZ 4.01Å; I113-F115 HydrophobicContact CB-CE2 4.15Å; I113-F115 HydrophobicContact CB-CZ 4.42Å; I113-F115 HydrophobicContact CD1-CZ 4.44Å; I113-F115 HydrophobicContact CG2-CD1 4.15Å; I113-F115 HydrophobicContact CG2-CD2 3.89Å; I113-F115 HydrophobicContact CG2-CE1 3.88Å; I113-F115 HydrophobicContact CG2-CE2 3.59Å; I113-F115 HydrophobicContact CG2-CG 4.17Å; I113-F115 HydrophobicContact CG2-CZ 3.59Å; F115-K119 HydrophobicContact CB-CB 4Å; F115-K119 HydrophobicContact CD2-CB 3.71Å; F115-K119 HydrophobicContact CE2-CB 4.39Å; F115-K119 HydrophobicContact CG-CB 3.93Å; F115-C123 HydrophobicContact CE1-CB 3.94Å; F115-C123 HydrophobicContact CZ-CB 3.85Å; F115-T138 HydrophobicContact CE2-CG2 3.99Å; F115-D139 PolarHBondContact N-O 3.44Å; F115-E140 WeakPolarHBondContact O-CA 3.35Å; F115-W141 PolarHBondContact O-N 2.57Å
116T95.9Very high95.5Very high0 Ų040.9 Ų40.90%020%0.198CC..SBendtrans-136137.8172.6179.70000111.7L45 L84 I85 R86 P87 Q118 W141L45-T116 HydrophobicContact CD1-CG2 3.32Å; L45-T116 HydrophobicContact CD2-CG2 3.59Å; L45-T116 HydrophobicContact CG-CG2 4.11Å; L84-T116 HydrophobicContact CD1-CG2 4.13Å; I85-T116 PolarHBondContact O-N 2.88Å; R86-T116 WeakPolarHBondContact CD-O 3.45Å; R86-T116 PolarHBondContact NH1-O 2.7Å; P87-T116 WeakPolarHBondContact CD-O 3.45Å; T116-Q118 VanDerWaalsContact C-N 3.34Å; T116-W141 WeakPolarHBondContact CB-O 3.43Å; T116-W141 HydrophobicContact CG2-CE3 4.38Å; T116-W141 PolarHBondContact OG1-O 2.78Å
117P94.1Very high95.7Very high1 Ų138.6 Ų38.61%0.00618%0.175CC..SBendcis-87-4.51.338.5-32.8000113.3R86 W141 A142 Y144 W172 T175R86-P117 VanDerWaalsContact NH1-CD 3.33Å; P117-W141 CarbonylContact C-O 3.57Å; P117-W141 WeakPolarHBondContact CA-O 3.47Å; P117-A142 WeakPolarHBondContact O-CA 3.36Å; P117-Y144 HydrophobicContact CB-CD1 3.49Å; P117-Y144 VanDerWaalsContact CB-CD1 3.49Å; P117-Y144 HydrophobicContact CB-CE1 3.61Å; P117-Y144 HydrophobicContact CB-CG 4.5Å; P117-Y144 HydrophobicContact CG-CD1 4.08Å; P117-Y144 HydrophobicContact CG-CE1 4.2Å; P117-W172 HydrophobicContact CG-CZ3 4.22Å; P117-T175 HydrophobicContact CB-CG2 4.33Å; P117-T175 HydrophobicContact CG-CG2 3.42Å; P117-T175 VanDerWaalsContact CG-CG2 3.42Å
118Q93.3Very high95.9Very high13 Ų1340 Ų406%0.06118%0.183CC..  trans-154.3161.9178.564.7-172.217.300109.5P87 T116 F120 E140 T175P87-Q118 WeakPolarHBondContact CG-O 3.48Å; T116-Q118 VanDerWaalsContact C-N 3.34Å; Q118-F120 HydrophobicContact CG-CD1 4.47Å; Q118-F120 HydrophobicContact CG-CE1 4.05Å; Q118-E140 VanDerWaalsContact CA-OE1 3.29Å; Q118-E140 WeakPolarHBondContact CA-OE1 3.07Å; Q118-E140 WeakPolarHBondContact CB-OE1 3.3Å; Q118-T175 PolarHBondContact NE2-OG1 2.81Å; Q118-T175 PolarHBondContact OE1-OG1 2.74Å
119K93.4Very high96.3Very high76 Ų7638.8 Ų38.833%0.3318%0.179SC..  trans-88.5148.1171.376.6-171.3177.6158.70109.9F115 E124 E140F115-K119 HydrophobicContact CB-CB 4Å; F115-K119 HydrophobicContact CD2-CB 3.71Å; F115-K119 HydrophobicContact CE2-CB 4.39Å; F115-K119 HydrophobicContact CG-CB 3.93Å; K119-E124 WeakPolarHBondContact CE-OE1 3.44Å; K119-E124 IonicContact NZ-OE1 3.18Å; K119-E124 PolarHBondContact NZ-OE1 2.75Å; K119-E124 IonicContact NZ-OE2 2.68Å; K119-E140 HydrophobicContact CB-CG 3.83Å; K119-E140 HydrophobicContact CD-CG 3.96Å; K119-E140 HydrophobicContact CG-CG 3.86Å; K119-E140 WeakPolarHBondContact CG-OE1 3.16Å; K119-E140 PolarHBondContact N-OE1 2.82Å
120F93.8Very high96.4Very high30 Ų3041.2 Ų41.213%0.13219%0.191CC..  trans-109.3138.4171.4-68.8-37.3000110.1P87 Q118 A122 C123 E124 R171 W172P87-F120 HydrophobicContact CB-CB 4.21Å; P87-F120 HydrophobicContact CB-CD2 3.47Å; P87-F120 VanDerWaalsContact CB-CD2 3.47Å; P87-F120 HydrophobicContact CB-CE2 4.03Å; P87-F120 HydrophobicContact CB-CG 3.93Å; P87-F120 HydrophobicContact CG-CD2 3.37Å; P87-F120 HydrophobicContact CG-CE2 3.36Å; P87-F120 HydrophobicContact CG-CG 4.06Å; P87-F120 HydrophobicContact CG-CZ 4.1Å; Q118-F120 HydrophobicContact CG-CD1 4.47Å; Q118-F120 HydrophobicContact CG-CE1 4.05Å; F120-A122 PolarHBondContact O-N 2.9Å; F120-A122 VanDerWaalsContact O-N 3.16Å; F120-C123 VanDerWaalsContact O-CB 3.31Å; F120-C123 WeakPolarHBondContact O-CB 3.49Å; F120-C123 PolarHBondContact O-N 3.12Å; F120-E124 PolarHBondContact O-N 2.76Å; F120-R171 HydrophobicContact CE1-CB 4.11Å; F120-R171 HydrophobicContact CE2-CB 4.48Å; F120-R171 HydrophobicContact CE2-CG 4.14Å; F120-R171 HydrophobicContact CZ-CB 3.86Å; F120-R171 HydrophobicContact CZ-CG 3.76Å; F120-W172 AromaticContact CE2-CH2 3.92Å; F120-W172 HydrophobicContact CE2-CH2 3.92Å; F120-W172 HydrophobicContact CE2-CZ2 4.13Å; F120-W172 HydrophobicContact CE2-CZ3 4.26Å; F120-W172 HydrophobicContact CZ-CD2 4.38Å; F120-W172 HydrophobicContact CZ-CE3 4.04Å; F120-W172 AromaticContact CZ-CH2 3.94Å; F120-W172 HydrophobicContact CZ-CH2 3.94Å; F120-W172 HydrophobicContact CZ-CZ2 4.29Å; F120-W172 AromaticContact CZ-CZ3 3.8Å; F120-W172 HydrophobicContact CZ-CZ3 3.8Å
121Y93.5Very high96.5Very high170 Ų17037.8 Ų37.867%0.66719%0.194SC*.Hα-helixtrans-53.1-36.9176.3176.5-98.7000112.3C123 E124 A125Y121-C123 PolarHBondContact O-N 3.18Å; Y121-E124 PolarHBondContact O-N 2.82Å; Y121-A125 HydrophobicContact CE1-CB 4.46Å; Y121-A125 PolarHBondContact O-N 2.84Å
122A94.9Very high96.4Very high48 Ų4837.3 Ų37.340%0.39719%0.192SC..Hα-helixtrans-59-31.217600000113.4I89 F120 V126I89-A122 HydrophobicContact CD1-CB 4.25Å; F120-A122 PolarHBondContact O-N 2.9Å; F120-A122 VanDerWaalsContact O-N 3.16Å; A122-V126 VanDerWaalsContact O-CG2 3.23Å; A122-V126 WeakPolarHBondContact O-CG2 3.49Å; A122-V126 PolarHBondContact O-N 3.34Å
123C96.8Very high96.3Very high0 Ų041.3 Ų41.30%021%0.21CC..Hα-helixtrans-72.9-37.4174.6-68.90000112V92 F115 F120 Y121 V126 L127V92-C123 HydrophobicContact CG2-CB 3.95Å; F115-C123 HydrophobicContact CE1-CB 3.94Å; F115-C123 HydrophobicContact CZ-CB 3.85Å; F120-C123 VanDerWaalsContact O-CB 3.31Å; F120-C123 WeakPolarHBondContact O-CB 3.49Å; F120-C123 PolarHBondContact O-N 3.12Å; Y121-C123 PolarHBondContact O-N 3.18Å; C123-V126 PolarHBondContact O-N 3.21Å; C123-L127 PolarHBondContact O-N 3.48Å
124E95.6Very high96.1Very high32 Ų3245.1 Ų45.115%0.1525%0.249CC..Hα-helixtrans-66-44.9174.9-69.5179.814200110.8K119 F120 Y121 V126 L127 E128 F133K119-E124 WeakPolarHBondContact CE-OE1 3.44Å; K119-E124 IonicContact NZ-OE1 3.18Å; K119-E124 PolarHBondContact NZ-OE1 2.75Å; K119-E124 IonicContact NZ-OE2 2.68Å; F120-E124 PolarHBondContact O-N 2.76Å; Y121-E124 PolarHBondContact O-N 2.82Å; E124-V126 VanDerWaalsContact C-N 3.26Å; E124-V126 PolarHBondContact O-N 3.37Å; E124-L127 WeakPolarHBondContact O-CB 3.28Å; E124-L127 PolarHBondContact O-N 3.09Å; E124-E128 PolarHBondContact O-N 2.79Å; E124-F133 HydrophobicContact CB-CE2 4.3Å
125A97.3Very high96Very high19 Ų1948.4 Ų48.416%0.15727%0.267CS..Hα-helixtrans-56.5-39175.400000112.4Y121 L127 E128 E129Y121-A125 HydrophobicContact CE1-CB 4.46Å; Y121-A125 PolarHBondContact O-N 2.84Å; A125-L127 PolarHBondContact O-N 2.95Å; A125-E128 PolarHBondContact O-N 2.74Å; A125-E129 WeakPolarHBondContact O-CB 3.41Å; A125-E129 VanDerWaalsContact O-CG 3.29Å; A125-E129 WeakPolarHBondContact O-CG 3.39Å; A125-E129 PolarHBondContact O-N 2.89Å
126V98.1Very high96Very high9 Ų948.9 Ų48.96%0.05527%0.27CS..Hα-helixtrans-63.3-41.7175.1170.30000111.7I89 V92 K93 A122 C123 E124 E128 E129 Q130I89-V126 HydrophobicContact CG2-CG2 4.03Å; V92-V126 HydrophobicContact CB-CG1 4.5Å; V92-V126 HydrophobicContact CG1-CB 4.2Å; V92-V126 HydrophobicContact CG1-CG1 3.88Å; K93-V126 HydrophobicContact CG-CG1 3.68Å; A122-V126 VanDerWaalsContact O-CG2 3.23Å; A122-V126 WeakPolarHBondContact O-CG2 3.49Å; A122-V126 PolarHBondContact O-N 3.34Å; C123-V126 PolarHBondContact O-N 3.21Å; E124-V126 VanDerWaalsContact C-N 3.26Å; E124-V126 PolarHBondContact O-N 3.37Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 3.5Å; V126-E129 PolarHBondContact O-N 2.87Å; V126-Q130 HydrophobicContact CG1-CG 4.32Å; V126-Q130 WeakPolarHBondContact O-CB 3.41Å; V126-Q130 WeakPolarHBondContact O-CG 3.45Å; V126-Q130 PolarHBondContact O-N 3.21Å
127L98Very high96.1Very high1 Ų152.7 Ų52.71%0.00529%0.293CS..Hα-helixtrans-63.7-38.5176.9-67.1167.2000111.4V92 I113 C123 E124 A125 G131 V132 F133 V136 T138V92-L127 HydrophobicContact CG1-CD2 3.92Å; V92-L127 HydrophobicContact CG1-CG 3.9Å; I113-L127 HydrophobicContact CD1-CD1 4.43Å; I113-L127 HydrophobicContact CD1-CD2 4.23Å; C123-L127 PolarHBondContact O-N 3.48Å; E124-L127 WeakPolarHBondContact O-CB 3.28Å; E124-L127 PolarHBondContact O-N 3.09Å; A125-L127 PolarHBondContact O-N 2.95Å; L127-G131 PolarHBondContact O-N 2.64Å; L127-V132 HydrophobicContact CB-CG2 4.38Å; L127-V132 HydrophobicContact CD2-CG2 3.8Å; L127-V132 PolarHBondContact O-N 3.26Å; L127-F133 HydrophobicContact CB-CB 4.22Å; L127-F133 HydrophobicContact CB-CD2 4.06Å; L127-F133 PolarHBondContact O-N 3.34Å; L127-V136 HydrophobicContact CD2-CG2 4.43Å; L127-T138 HydrophobicContact CD1-CG2 3.83Å
128E97.7Very high96.2Very high105 Ų10554.2 Ų54.249%0.49130%0.302SS..Hα-helixtrans-66-51.2175.7-68.7-178.4177.100111.6E124 A125 V126 Q130 G131 F133E124-E128 PolarHBondContact O-N 2.79Å; A125-E128 PolarHBondContact O-N 2.74Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 3.5Å; E128-Q130 VanDerWaalsContact C-N 3.26Å; E128-Q130 PolarHBondContact O-N 2.72Å; E128-G131 PolarHBondContact O-N 2.89Å; E128-F133 HydrophobicContact CB-CB 4.45Å; E128-F133 HydrophobicContact CG-CB 3.83Å; E128-F133 HydrophobicContact CG-CD1 4.35Å; E128-F133 HydrophobicContact CG-CD2 3.54Å; E128-F133 HydrophobicContact CG-CE2 4.15Å; E128-F133 HydrophobicContact CG-CG 3.65Å
129E97.6Very high96.5Very high150 Ų15055.8 Ų55.870%0.70131%0.311SS*.Hα-helixtrans-59.8-35.2179.3-75.3175.3-175.800112.7A125 V126 G131A125-E129 WeakPolarHBondContact O-CB 3.41Å; A125-E129 VanDerWaalsContact O-CG 3.29Å; A125-E129 WeakPolarHBondContact O-CG 3.39Å; A125-E129 PolarHBondContact O-N 2.89Å; V126-E129 PolarHBondContact O-N 2.87Å; E129-G131 VanDerWaalsContact C-N 3.27Å; E129-G131 PolarHBondContact O-N 3.47Å
130Q97.5Very high96.6Very high75 Ų7556 Ų5635%0.3531%0.313SS..THydrogen-bonded Turntrans-83.1-0.2177.2-64-59.3-4900113.4C96 N100 V126 E128 V132C96-Q130 HydrophobicContact CB-CB 3.76Å; C96-Q130 HydrophobicContact CB-CG 3.83Å; N100-Q130 PolarHBondContact ND2-O 2.77Å; V126-Q130 HydrophobicContact CG1-CG 4.32Å; V126-Q130 WeakPolarHBondContact O-CB 3.41Å; V126-Q130 WeakPolarHBondContact O-CG 3.45Å; V126-Q130 PolarHBondContact O-N 3.21Å; E128-Q130 VanDerWaalsContact C-N 3.26Å; E128-Q130 PolarHBondContact O-N 2.72Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 HydrophobicContact CB-CG2 4.22Å; Q130-V132 PolarHBondContact O-N 2.77Å
131G96.9Very high96.8Very high50 Ų5054.6 Ų54.652%0.51531%0.307SS..THydrogen-bonded Turntrans68.724.8176.900000114.4K103 L127 E128 E129K103-G131 PolarHBondContact NZ-O 2.68Å; L127-G131 PolarHBondContact O-N 2.64Å; E128-G131 PolarHBondContact O-N 2.89Å; E129-G131 VanDerWaalsContact C-N 3.27Å; E129-G131 PolarHBondContact O-N 3.47Å
132V97.1Very high96.8Very high0 Ų047.8 Ų47.80%029%0.286CS..  trans-117.10.8-178.2-61.30000113.9C96 V99 N100 L127 Q130 G134 D135 V136C96-V132 HydrophobicContact CB-CG2 4.01Å; C96-V132 VanDerWaalsContact SG-CG2 3.58Å; V99-V132 HydrophobicContact CB-CG1 4.1Å; V99-V132 HydrophobicContact CG1-CB 4.09Å; V99-V132 HydrophobicContact CG1-CG1 3.73Å; N100-V132 VanDerWaalsContact OD1-CG1 3.28Å; N100-V132 WeakPolarHBondContact OD1-CG1 3.39Å; L127-V132 HydrophobicContact CB-CG2 4.38Å; L127-V132 HydrophobicContact CD2-CG2 3.8Å; L127-V132 PolarHBondContact O-N 3.26Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 HydrophobicContact CB-CG2 4.22Å; Q130-V132 PolarHBondContact O-N 2.77Å; V132-G134 PolarHBondContact O-N 3.5Å; V132-D135 WeakPolarHBondContact CA-OD2 3.45Å; V132-D135 PolarHBondContact O-N 2.94Å; V132-V136 PolarHBondContact O-N 3.12Å
133F95.9Very high96.7Very high89 Ų8946 Ų4639%0.3927%0.269SS..THydrogen-bonded Turntrans-54.2-38.1-178.9-174.7-95.5000113.4E124 L127 E128 D135E124-F133 HydrophobicContact CB-CE2 4.3Å; L127-F133 HydrophobicContact CB-CB 4.22Å; L127-F133 HydrophobicContact CB-CD2 4.06Å; L127-F133 PolarHBondContact O-N 3.34Å; E128-F133 HydrophobicContact CB-CB 4.45Å; E128-F133 HydrophobicContact CG-CB 3.83Å; E128-F133 HydrophobicContact CG-CD1 4.35Å; E128-F133 HydrophobicContact CG-CD2 3.54Å; E128-F133 HydrophobicContact CG-CE2 4.15Å; E128-F133 HydrophobicContact CG-CG 3.65Å; F133-D135 VanDerWaalsContact C-N 3.32Å; F133-D135 PolarHBondContact O-N 3.32Å
134G95.3Very high96.4Very high80 Ų8047.8 Ų47.883%0.82528%0.276SS*.THydrogen-bonded Turntrans-76.6-13.7177.500000114.9V132V132-G134 PolarHBondContact O-N 3.5Å
135D96.2Very high96.5Very high69 Ų6946.5 Ų46.537%0.36927%0.27SS..THydrogen-bonded Turntrans-96.9-13.5-176.6-52.2-92.5000112.7V99 K103 V132 F133V99-D135 HydrophobicContact CG1-CB 4.1Å; K103-D135 WeakPolarHBondContact CE-OD1 3.06Å; K103-D135 VanDerWaalsContact CE-OD2 3.28Å; K103-D135 WeakPolarHBondContact CE-OD2 3.45Å; K103-D135 IonicContact NZ-OD1 3.61Å; K103-D135 PolarHBondContact NZ-OD1 3.29Å; K103-D135 IonicContact NZ-OD2 2.83Å; K103-D135 PolarHBondContact NZ-OD2 3.19Å; V132-D135 WeakPolarHBondContact CA-OD2 3.45Å; V132-D135 PolarHBondContact O-N 2.94Å; F133-D135 VanDerWaalsContact C-N 3.32Å; F133-D135 PolarHBondContact O-N 3.32Å
136V97.1Very high96.5Very high10 Ų1045.7 Ų45.76%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-121.3122.8-173.2-1760000109.9V99 I113 L127 V132 T138V99-V136 HydrophobicContact CG2-CG2 3.99Å; I113-V136 HydrophobicContact CB-CG1 4.43Å; I113-V136 HydrophobicContact CD1-CG1 3.62Å; I113-V136 HydrophobicContact CG1-CG1 3.58Å; L127-V136 HydrophobicContact CD2-CG2 4.43Å; V132-V136 PolarHBondContact O-N 3.12Å; V136-T138 HydrophobicContact CG1-CG2 4.35Å
137T97.5Very high96.5Very high79 Ų7945.5 Ų45.549%0.48526%0.262SS..EExtended strand (participates in β ladder)trans-82.9138.9169.654.60000110.2Y111 K112 I113Y111-T137 PolarHBondContact O-N 2.94Å; Y111-T137 PolarHBondContact O-OG1 3.11Å; K112-T137 CarbonylContact C-O 3.5Å; K112-T137 VanDerWaalsContact CA-O 3.27Å; K112-T137 WeakPolarHBondContact CA-O 3.49Å; K112-T137 WeakPolarHBondContact CA-OG1 3.43Å; K112-T137 WeakPolarHBondContact CB-OG1 3.43Å; I113-T137 PolarHBondContact N-O 3.19Å
138T97.8Very high96.4Very high34 Ų3445.8 Ų45.821%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-124.9138.8-179.163.10000111.1I113 F115 L127 V136I113-T138 HydrophobicContact CB-CG2 4.35Å; I113-T138 CarbonylContact O-C 3.6Å; I113-T138 VanDerWaalsContact O-CA 3.3Å; I113-T138 WeakPolarHBondContact O-CA 3.23Å; F115-T138 HydrophobicContact CE2-CG2 3.99Å; L127-T138 HydrophobicContact CD1-CG2 3.83Å; V136-T138 HydrophobicContact CG1-CG2 4.35Å
139D97.7Very high96.3Very high45 Ų4541.5 Ų41.524%0.24124%0.244CC..EExtended strand (participates in β ladder)trans-142165.5176.2-75.8-72.2000110.8L29 Q32 K112 I113 I114 F115L29-D139 HydrophobicContact CD2-CB 3.69Å; Q32-D139 PolarHBondContact OE1-OD2 2.87Å; K112-D139 WeakPolarHBondContact CE-OD2 3.44Å; K112-D139 IonicContact NZ-OD2 3.33Å; K112-D139 PolarHBondContact NZ-OD2 2.8Å; I113-D139 PolarHBondContact O-N 3.1Å; I114-D139 WeakPolarHBondContact CA-O 3.29Å; F115-D139 PolarHBondContact N-O 3.44Å
140E96.9Very high96.1Very high81 Ų8140 Ų4038%0.37924%0.237SC..EExtended strand (participates in β ladder)trans-113.4128176.6-63.7179.6115.800111.1Q25 L29 F115 Q118 K119Q25-E140 PolarHBondContact NE2-O 3.42Å; L29-E140 WeakPolarHBondContact CD1-O 3.45Å; F115-E140 WeakPolarHBondContact O-CA 3.35Å; Q118-E140 VanDerWaalsContact CA-OE1 3.29Å; Q118-E140 WeakPolarHBondContact CA-OE1 3.07Å; Q118-E140 WeakPolarHBondContact CB-OE1 3.3Å; K119-E140 HydrophobicContact CB-CG 3.83Å; K119-E140 HydrophobicContact CD-CG 3.96Å; K119-E140 HydrophobicContact CG-CG 3.86Å; K119-E140 WeakPolarHBondContact CG-OE1 3.16Å; K119-E140 PolarHBondContact N-OE1 2.82Å
141W97.1Very high96.1Very high1 Ų137.3 Ų37.30%0.00423%0.225CC..  trans-100103.6164.9-176.738.4000109.4A22 L26 L29 L49 I52 L84 I114 F115 T116 P117 F143A22-W141 HydrophobicContact CB-CZ2 4.22Å; A22-W141 PolarHBondContact O-NE1 2.75Å; L26-W141 HydrophobicContact CB-CD2 4.34Å; L26-W141 HydrophobicContact CB-CZ2 3.82Å; L26-W141 HydrophobicContact CD1-CD2 4.14Å; L26-W141 HydrophobicContact CD1-CE3 4.3Å; L26-W141 HydrophobicContact CD2-CH2 4.01Å; L26-W141 HydrophobicContact CD2-CZ2 4.02Å; L26-W141 HydrophobicContact CG-CZ2 4.35Å; L29-W141 HydrophobicContact CD1-CB 3.61Å; L29-W141 HydrophobicContact CD1-CG 4.13Å; L49-W141 HydrophobicContact CD1-CH2 4.08Å; L49-W141 HydrophobicContact CD1-CZ3 4.42Å; I52-W141 HydrophobicContact CG2-CH2 4.49Å; I52-W141 HydrophobicContact CG2-CZ2 4.11Å; L84-W141 HydrophobicContact CD1-CE3 3.84Å; L84-W141 HydrophobicContact CD1-CZ3 4.32Å; L84-W141 HydrophobicContact CD2-CZ3 4.22Å; I114-W141 HydrophobicContact CG2-CB 3.56Å; F115-W141 PolarHBondContact O-N 2.57Å; T116-W141 WeakPolarHBondContact CB-O 3.43Å; T116-W141 HydrophobicContact CG2-CE3 4.38Å; T116-W141 PolarHBondContact OG1-O 2.78Å; P117-W141 CarbonylContact C-O 3.57Å; P117-W141 WeakPolarHBondContact CA-O 3.47Å; W141-F143 HydrophobicContact CD2-CB 3.6Å; W141-F143 HydrophobicContact CD2-CG 4.34Å; W141-F143 HydrophobicContact CE3-CB 3.86Å; W141-F143 HydrophobicContact CE3-CD1 4.07Å; W141-F143 HydrophobicContact CE3-CG 4.32Å; W141-F143 HydrophobicContact CG-CB 4.12Å; W141-F143 HydrophobicContact CH2-CB 4.16Å; W141-F143 AromaticContact CH2-CD1 3.48Å; W141-F143 HydrophobicContact CH2-CD1 3.48Å; W141-F143 VanDerWaalsContact CH2-CD1 3.48Å; W141-F143 AromaticContact CH2-CE1 3.96Å; W141-F143 HydrophobicContact CH2-CE1 3.96Å; W141-F143 AromaticContact CH2-CG 3.83Å; W141-F143 HydrophobicContact CH2-CG 3.83Å; W141-F143 HydrophobicContact CZ2-CB 3.88Å; W141-F143 AromaticContact CZ2-CD1 3.97Å; W141-F143 HydrophobicContact CZ2-CD1 3.97Å; W141-F143 HydrophobicContact CZ2-CD2 4.33Å; W141-F143 AromaticContact CZ2-CG 3.8Å; W141-F143 HydrophobicContact CZ2-CG 3.8Å; W141-F143 HydrophobicContact CZ3-CB 4.14Å; W141-F143 AromaticContact CZ3-CD1 3.53Å; W141-F143 HydrophobicContact CZ3-CD1 3.53Å; W141-F143 HydrophobicContact CZ3-CE1 4.25Å; W141-F143 HydrophobicContact CZ3-CG 4.09Å; W141-F143 PolarHBondContact O-N 3.31Å
142A93.4Very high96.1Very high27 Ų2735 Ų3522%0.22320%0.201CC..  trans-71.246.7-176.100000113.2P117 Y144P117-A142 WeakPolarHBondContact O-CA 3.36Å; A142-Y144 HydrophobicContact CB-CD2 4.44Å; A142-Y144 HydrophobicContact CB-CE2 3.61Å; A142-Y144 VanDerWaalsContact O-CD2 3.23Å; A142-Y144 WeakPolarHBondContact O-CD2 3.45Å; A142-Y144 WeakPolarHBondContact O-CE2 3.3Å; A142-Y144 PolarHBondContact O-N 3.16Å; A142-Y144 VanDerWaalsContact O-N 3.12Å
143F94.3Very high96.2Very high9 Ų935 Ų354%0.03920%0.201CC..  trans-8681.1-178.7178.3-136.6000110.5A22 P48 I52 W141 L146A22-F143 HydrophobicContact CB-CD2 3.56Å; A22-F143 HydrophobicContact CB-CE2 4.01Å; A22-F143 HydrophobicContact CB-CG 4.4Å; P48-F143 HydrophobicContact CB-CE1 3.73Å; P48-F143 HydrophobicContact CB-CZ 4.22Å; I52-F143 HydrophobicContact CD1-CE2 3.77Å; I52-F143 HydrophobicContact CD1-CZ 3.98Å; I52-F143 HydrophobicContact CG1-CE1 4.29Å; I52-F143 HydrophobicContact CG1-CE2 3.76Å; I52-F143 HydrophobicContact CG1-CZ 3.55Å; W141-F143 HydrophobicContact CD2-CB 3.6Å; W141-F143 HydrophobicContact CD2-CG 4.34Å; W141-F143 HydrophobicContact CE3-CB 3.86Å; W141-F143 HydrophobicContact CE3-CD1 4.07Å; W141-F143 HydrophobicContact CE3-CG 4.32Å; W141-F143 HydrophobicContact CG-CB 4.12Å; W141-F143 HydrophobicContact CH2-CB 4.16Å; W141-F143 AromaticContact CH2-CD1 3.48Å; W141-F143 HydrophobicContact CH2-CD1 3.48Å; W141-F143 VanDerWaalsContact CH2-CD1 3.48Å; W141-F143 AromaticContact CH2-CE1 3.96Å; W141-F143 HydrophobicContact CH2-CE1 3.96Å; W141-F143 AromaticContact CH2-CG 3.83Å; W141-F143 HydrophobicContact CH2-CG 3.83Å; W141-F143 HydrophobicContact CZ2-CB 3.88Å; W141-F143 AromaticContact CZ2-CD1 3.97Å; W141-F143 HydrophobicContact CZ2-CD1 3.97Å; W141-F143 HydrophobicContact CZ2-CD2 4.33Å; W141-F143 AromaticContact CZ2-CG 3.8Å; W141-F143 HydrophobicContact CZ2-CG 3.8Å; W141-F143 HydrophobicContact CZ3-CB 4.14Å; W141-F143 AromaticContact CZ3-CD1 3.53Å; W141-F143 HydrophobicContact CZ3-CD1 3.53Å; W141-F143 HydrophobicContact CZ3-CE1 4.25Å; W141-F143 HydrophobicContact CZ3-CG 4.09Å; W141-F143 PolarHBondContact O-N 3.31Å; F143-L146 HydrophobicContact CE2-CB 4.12Å; F143-L146 HydrophobicContact CE2-CD1 4.43Å; F143-L146 HydrophobicContact CZ-CB 3.88Å; F143-L146 HydrophobicContact CZ-CD1 4.04Å; F143-L146 HydrophobicContact CZ-CG 4.36Å
144Y90Very high96.3Very high39 Ų3930.8 Ų30.815%0.15318%0.183CC..  trans-88.9-33.9-179.5-49.8-65.1000113.6P117 A142 L155 T175 L182P117-Y144 HydrophobicContact CB-CD1 3.49Å; P117-Y144 VanDerWaalsContact CB-CD1 3.49Å; P117-Y144 HydrophobicContact CB-CE1 3.61Å; P117-Y144 HydrophobicContact CB-CG 4.5Å; P117-Y144 HydrophobicContact CG-CD1 4.08Å; P117-Y144 HydrophobicContact CG-CE1 4.2Å; A142-Y144 HydrophobicContact CB-CD2 4.44Å; A142-Y144 HydrophobicContact CB-CE2 3.61Å; A142-Y144 VanDerWaalsContact O-CD2 3.23Å; A142-Y144 WeakPolarHBondContact O-CD2 3.45Å; A142-Y144 WeakPolarHBondContact O-CE2 3.3Å; A142-Y144 PolarHBondContact O-N 3.16Å; A142-Y144 VanDerWaalsContact O-N 3.12Å; Y144-L155 VanDerWaalsContact O-CA 3.23Å; Y144-L155 WeakPolarHBondContact O-CA 3.49Å; Y144-L155 VanDerWaalsContact O-CG 3.23Å; Y144-L155 WeakPolarHBondContact O-CG 3.43Å; Y144-T175 HydrophobicContact CD1-CG2 3.83Å; Y144-T175 HydrophobicContact CE1-CG2 4.28Å; Y144-L182 HydrophobicContact CD2-CD2 4.33Å
145L96.8Very high96.4Very high4 Ų427.2 Ų27.22%0.02115%0.145CC..  trans-125.3112-164-65.5172.2000110.1L18 P147 I153 L155 A179 L182 L183 V594L18-L145 HydrophobicContact CD1-CB 4.22Å; L18-L145 HydrophobicContact CD1-CD1 4.39Å; L18-L145 HydrophobicContact CD2-CB 4.28Å; L18-L145 HydrophobicContact CD2-CD1 3.91Å; L145-P147 WeakPolarHBondContact O-CD 3.47Å; L145-I153 HydrophobicContact CB-CG2 3.69Å; L145-I153 HydrophobicContact CD2-CG2 3.61Å; L145-I153 HydrophobicContact CG-CG2 4.18Å; L145-L155 HydrophobicContact CD2-CD1 3.96Å; L145-A179 HydrophobicContact CD1-CB 4.48Å; L145-A179 HydrophobicContact CD2-CB 3.66Å; L145-A179 HydrophobicContact CG-CB 4.06Å; L145-L182 HydrophobicContact CD1-CB 4.34Å; L145-L182 HydrophobicContact CD1-CD2 4.03Å; L145-L182 HydrophobicContact CD1-CG 4.3Å; L145-L183 HydrophobicContact CD1-CD1 4.02Å; L145-L183 HydrophobicContact CD1-CD2 3.68Å; L145-L183 HydrophobicContact CD1-CG 3.54Å; L145-L183 HydrophobicContact CD2-CD1 4.46Å; L145-V594 HydrophobicContact CD2-CG1 4.11Å
146L97.4Very high96.5Very high3 Ų325.4 Ų25.42%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-104.6109.6170.7177.662.4000109.7P48 R51 I52 F143 L148 I153 S154 E156 C257P48-L146 HydrophobicContact CB-CD2 4.2Å; R51-L146 HydrophobicContact CB-CD1 3.64Å; R51-L146 HydrophobicContact CB-CD2 4.38Å; R51-L146 HydrophobicContact CG-CD1 4.31Å; R51-L146 HydrophobicContact CG-CD2 4.28Å; I52-L146 HydrophobicContact CD1-CD1 3.78Å; I52-L146 HydrophobicContact CG1-CD1 4.23Å; F143-L146 HydrophobicContact CE2-CB 4.12Å; F143-L146 HydrophobicContact CE2-CD1 4.43Å; F143-L146 HydrophobicContact CZ-CB 3.88Å; F143-L146 HydrophobicContact CZ-CD1 4.04Å; F143-L146 HydrophobicContact CZ-CG 4.36Å; L146-L148 HydrophobicContact CD2-CD2 3.79Å; L146-L148 HydrophobicContact CG-CD2 3.94Å; L146-L148 PolarHBondContact O-N 3.33Å; L146-L148 VanDerWaalsContact O-N 3.14Å; L146-I153 WeakPolarHBondContact O-CA 3.35Å; L146-S154 WeakPolarHBondContact CB-O 3.42Å; L146-S154 PolarHBondContact N-O 3.01Å; L146-S154 PolarHBondContact O-N 3.29Å; L146-E156 HydrophobicContact CD2-CG 3.82Å; L146-C257 HydrophobicContact CD2-CB 4.02Å
147P97.3Very high96.3Very high4 Ų425 Ų253%0.02613%0.131CC..EExtended strand (participates in β ladder)trans-65.6114.9170.2-18.430.9000109.6L15 L18 K19 R51 L145 I152L15-P147 HydrophobicContact CB-CB 4.22Å; L15-P147 HydrophobicContact CB-CG 4.26Å; L15-P147 WeakPolarHBondContact O-CG 3.47Å; L18-P147 HydrophobicContact CB-CG 3.8Å; L18-P147 HydrophobicContact CD1-CG 3.89Å; L18-P147 HydrophobicContact CG-CG 4.47Å; K19-P147 VanDerWaalsContact CE-O 3.24Å; K19-P147 WeakPolarHBondContact CE-O 3.4Å; K19-P147 HydrophobicContact CG-CG 4.09Å; R51-P147 PolarHBondContact NH2-O 3Å; L145-P147 WeakPolarHBondContact O-CD 3.47Å; P147-I152 CarbonylContact C-O 3.56Å
148L96.3Very high96Very high7 Ų725 Ų254%0.03713%0.132CC..SBendtrans-81.6-41176.3-59.8-170.5000110.6R51 L146 I152 I598R51-L148 PolarHBondContact NH1-O 3.46Å; R51-L148 PolarHBondContact NH2-O 3.06Å; L146-L148 HydrophobicContact CD2-CD2 3.79Å; L146-L148 HydrophobicContact CG-CD2 3.94Å; L146-L148 PolarHBondContact O-N 3.33Å; L146-L148 VanDerWaalsContact O-N 3.14Å; L148-I152 HydrophobicContact CB-CB 4.18Å; L148-I152 HydrophobicContact CB-CG2 4.04Å; L148-I152 HydrophobicContact CD1-CG2 4Å; L148-I152 HydrophobicContact CG-CG2 4.31Å; L148-I152 PolarHBondContact N-O 3.31Å; L148-I598 HydrophobicContact CD1-CD1 4.4Å; L148-I598 HydrophobicContact CD1-CG1 3.77Å
149D95.4Very high95.8Very high15 Ų1524.6 Ų24.68%0.0813%0.128CC..SBendtrans-143.8-169.7175.1-153.5-20.1000110D151 I152 N278 S279 R288D149-D151 PolarHBondContact O-N 3.36Å; D149-I152 HydrophobicContact CB-CB 4.43Å; D149-I152 HydrophobicContact CB-CD1 4.46Å; D149-I152 HydrophobicContact CB-CG1 4.43Å; D149-I152 PolarHBondContact N-O 2.69Å; D149-N278 WeakPolarHBondContact OD2-CA 3.27Å; D149-S279 WeakPolarHBondContact OD1-CB 3.35Å; D149-S279 PolarHBondContact OD1-N 2.83Å; D149-S279 VanDerWaalsContact OD1-N 3.16Å; D149-S279 PolarHBondContact OD1-OG 3.49Å; D149-S279 PolarHBondContact OD2-N 3.33Å; D149-S279 VanDerWaalsContact OD2-N 3.16Å; D149-R288 IonicContact OD2-CZ 3.26Å; D149-R288 IonicContact OD2-NH1 3.87Å; D149-R288 PolarHBondContact OD2-NH1 3.17Å; D149-R288 IonicContact OD2-NH2 2.78Å
150E94.6Very high95.7Very high119 Ų11922.5 Ų22.556%0.55612%0.117SC*.SBendtrans-64.1-24.7177.3-67.4-179.7165.400113.7L15 S279L15-E150 WeakPolarHBondContact CD1-O 3.29Å; E150-S279 VanDerWaalsContact CD-OG 3.27Å; E150-S279 WeakPolarHBondContact CG-OG 3.28Å
151D96.8Very high95.7Very high18 Ų1819.1 Ų19.110%0.09610%0.101CC..SBendtrans-129.99.6-174.765.8-23.9000113.7L12 D149 R581 F591 I592 V593L12-D151 HydrophobicContact CD1-CB 3.85Å; D149-D151 PolarHBondContact O-N 3.36Å; D151-R581 IonicContact OD1-CZ 3.96Å; D151-R581 IonicContact OD1-NE 3.9Å; D151-R581 IonicContact OD1-NH2 3.35Å; D151-R581 PolarHBondContact OD1-NH2 3.43Å; D151-R581 IonicContact OD2-CZ 2.71Å; D151-R581 IonicContact OD2-NE 3.78Å; D151-R581 PolarHBondContact OD2-NE 3.17Å; D151-R581 IonicContact OD2-NH2 3.3Å; D151-R581 PolarHBondContact OD2-NH2 3Å; D151-F591 WeakPolarHBondContact CB-O 3.21Å; D151-I592 CarbonylContact O-C 3.51Å; D151-I592 WeakPolarHBondContact O-CA 3.21Å; D151-V593 PolarHBondContact O-N 2.91Å
152I98Very high95.6Very high3 Ų322.5 Ų22.52%0.01511%0.114CC..EExtended strand (participates in β ladder)trans-128126.9179.2-51.2174.8000110P147 L148 D149 F574 V577 V593 I598P147-I152 CarbonylContact C-O 3.56Å; L148-I152 HydrophobicContact CB-CB 4.18Å; L148-I152 HydrophobicContact CB-CG2 4.04Å; L148-I152 HydrophobicContact CD1-CG2 4Å; L148-I152 HydrophobicContact CG-CG2 4.31Å; L148-I152 PolarHBondContact N-O 3.31Å; D149-I152 HydrophobicContact CB-CB 4.43Å; D149-I152 HydrophobicContact CB-CD1 4.46Å; D149-I152 HydrophobicContact CB-CG1 4.43Å; D149-I152 PolarHBondContact N-O 2.69Å; I152-F574 HydrophobicContact CD1-CE1 4.32Å; I152-V577 HydrophobicContact CD1-CG1 3.88Å; I152-V577 HydrophobicContact CD1-CG2 4.37Å; I152-V577 HydrophobicContact CG1-CG1 4.14Å; I152-V593 CarbonylContact C-O 3.55Å; I152-V593 WeakPolarHBondContact CA-O 3.32Å; I152-I598 HydrophobicContact CG2-CD1 4.26Å
153I98.6Very high95.7Very high0 Ų022.3 Ų22.30%011%0.109CC..EExtended strand (participates in β ladder)trans-126.5136.1174.9-49.2173.5000108.7L15 L18 L145 L146 L183 I592 V593 V594 T595L15-I153 HydrophobicContact CD1-CD1 3.85Å; L15-I153 HydrophobicContact CD1-CG1 3.83Å; L15-I153 HydrophobicContact CD2-CD1 3.95Å; L18-I153 HydrophobicContact CD1-CD1 3.98Å; L145-I153 HydrophobicContact CB-CG2 3.69Å; L145-I153 HydrophobicContact CD2-CG2 3.61Å; L145-I153 HydrophobicContact CG-CG2 4.18Å; L146-I153 WeakPolarHBondContact O-CA 3.35Å; I153-L183 HydrophobicContact CD1-CD2 4.21Å; I153-I592 HydrophobicContact CD1-CG2 4.01Å; I153-I592 HydrophobicContact CG1-CG2 4.37Å; I153-V593 PolarHBondContact N-O 3.14Å; I153-V594 HydrophobicContact CB-CG2 4.23Å; I153-V594 HydrophobicContact CD1-CG2 4.25Å; I153-V594 CarbonylContact O-C 3.49Å; I153-V594 VanDerWaalsContact O-CA 3.26Å; I153-V594 WeakPolarHBondContact O-CA 3.43Å; I153-T595 PolarHBondContact O-N 3.42Å
154S98.1Very high95.8Very high0 Ų022.6 Ų22.60%011%0.111CC..EExtended strand (participates in β ladder)trans-127.1145.1178.9179.80000110.8L146 E156 T595L146-S154 WeakPolarHBondContact CB-O 3.42Å; L146-S154 PolarHBondContact N-O 3.01Å; L146-S154 PolarHBondContact O-N 3.29Å; S154-E156 WeakPolarHBondContact CB-OE1 3.02Å; S154-E156 PolarHBondContact OG-N 3.3Å; S154-E156 PolarHBondContact OG-OE1 3.42Å; S154-T595 CarbonylContact C-O 3.54Å; S154-T595 WeakPolarHBondContact CA-O 3.43Å
155L98Very high96.1Very high5 Ų521.9 Ų21.93%0.02611%0.109CC..  trans-79.2-14.1168.4-74.555.7000111.7R86 Y144 L145 L157 T175 A179 M567 V594 T595 T596R86-L155 PolarHBondContact NH2-O 3.13Å; Y144-L155 VanDerWaalsContact O-CA 3.23Å; Y144-L155 WeakPolarHBondContact O-CA 3.49Å; Y144-L155 VanDerWaalsContact O-CG 3.23Å; Y144-L155 WeakPolarHBondContact O-CG 3.43Å; L145-L155 HydrophobicContact CD2-CD1 3.96Å; L155-L157 HydrophobicContact CB-CB 4.39Å; L155-L157 HydrophobicContact CB-CD1 3.96Å; L155-L157 HydrophobicContact CB-CG 4.12Å; L155-L157 HydrophobicContact CD2-CD1 4.15Å; L155-L157 PolarHBondContact O-N 3.46Å; L155-T175 HydrophobicContact CD2-CG2 4.4Å; L155-A179 HydrophobicContact CD1-CB 4.32Å; L155-M567 HydrophobicContact CD1-CE 4.22Å; L155-M567 HydrophobicContact CD2-CE 4.26Å; L155-V594 HydrophobicContact CD1-CG1 3.99Å; L155-T595 WeakPolarHBondContact CD1-O 3.44Å; L155-T595 PolarHBondContact N-O 2.94Å; L155-T596 HydrophobicContact CD2-CG2 4.36Å
156E96.6Very high96Very high30 Ų3022.2 Ų22.214%0.1411%0.111CC..  trans48.447.1-173.3-62.1-66.311700111.6P48 R86 L146 S154 P158 C257 T596P48-E156 HydrophobicContact CG-CB 4.02Å; P48-E156 HydrophobicContact CG-CG 4.16Å; R86-E156 PolarHBondContact NH2-O 2.96Å; L146-E156 HydrophobicContact CD2-CG 3.82Å; S154-E156 WeakPolarHBondContact CB-OE1 3.02Å; S154-E156 PolarHBondContact OG-N 3.3Å; S154-E156 PolarHBondContact OG-OE1 3.42Å; E156-P158 VanDerWaalsContact C-CD 3.44Å; E156-P158 VanDerWaalsContact O-CD 3.31Å; E156-P158 WeakPolarHBondContact O-CD 3.24Å; E156-C257 PolarHBondContact OE2-SG 2.95Å; E156-T596 PolarHBondContact N-O 3.07Å
157L94.6Very high95.9Very high1 Ų125.5 Ų25.51%0.00514%0.138CC..  trans-11574.4177-72.2173.1000110.3L155 E159 F160 W172 T175 T596L155-L157 HydrophobicContact CB-CB 4.39Å; L155-L157 HydrophobicContact CB-CD1 3.96Å; L155-L157 HydrophobicContact CB-CG 4.12Å; L155-L157 HydrophobicContact CD2-CD1 4.15Å; L155-L157 PolarHBondContact O-N 3.46Å; L157-E159 PolarHBondContact O-N 3.19Å; L157-F160 HydrophobicContact CB-CB 4.3Å; L157-F160 VanDerWaalsContact O-CB 3.24Å; L157-F160 WeakPolarHBondContact O-CB 3.49Å; L157-F160 PolarHBondContact O-N 3.07Å; L157-F160 VanDerWaalsContact O-N 3.15Å; L157-W172 HydrophobicContact CD1-CD2 4.48Å; L157-W172 HydrophobicContact CD1-CE3 4.06Å; L157-W172 HydrophobicContact CD1-CZ3 4.36Å; L157-W172 HydrophobicContact CD2-CH2 4.15Å; L157-W172 HydrophobicContact CD2-CZ2 4.46Å; L157-W172 HydrophobicContact CD2-CZ3 4.21Å; L157-T175 HydrophobicContact CD1-CG2 3.87Å; L157-T596 PolarHBondContact N-O 3.16Å
158P91.2Very high95.8Very high79 Ų7927.5 Ų27.551%0.51316%0.159SC..THydrogen-bonded Turntrans-61.5-27.3-18026-35000113.4E156 F160E156-P158 VanDerWaalsContact C-CD 3.44Å; E156-P158 VanDerWaalsContact O-CD 3.31Å; E156-P158 WeakPolarHBondContact O-CD 3.24Å; P158-F160 PolarHBondContact O-N 3.43Å
159E92.3Very high95.6Very high26 Ų2630 Ų3012%0.12117%0.173CC..Hα-helixtrans-68.6-19.2176.962.3-94.9-114.300113.7R88 L157 F161 R162 D163 W172R88-E159 IonicContact CZ-OE1 2.92Å; R88-E159 IonicContact NE-OE1 3.3Å; R88-E159 IonicContact NH2-OE1 3.96Å; R88-E159 PolarHBondContact NH2-OE1 3.19Å; R88-E159 IonicContact NH2-OE2 2.67Å; L157-E159 PolarHBondContact O-N 3.19Å; E159-F161 PolarHBondContact O-N 3.25Å; E159-F161 VanDerWaalsContact O-N 3.16Å; E159-R162 PolarHBondContact O-N 2.92Å; E159-D163 WeakPolarHBondContact O-CB 3.37Å; E159-D163 PolarHBondContact O-N 3.41Å; E159-W172 HydrophobicContact CG-CZ2 4.14Å
160F96.2Very high95.6Very high1 Ų133 Ų330%0.00419%0.186CC..Hα-helixtrans-52.8-43.5-176.2-173.7-74000111.8L157 P158 N164 F165 W172 A176 L569 T596L157-F160 HydrophobicContact CB-CB 4.3Å; L157-F160 VanDerWaalsContact O-CB 3.24Å; L157-F160 WeakPolarHBondContact O-CB 3.49Å; L157-F160 PolarHBondContact O-N 3.07Å; L157-F160 VanDerWaalsContact O-N 3.15Å; P158-F160 PolarHBondContact O-N 3.43Å; F160-N164 HydrophobicContact CD1-CB 4.22Å; F160-N164 HydrophobicContact CE1-CB 3.97Å; F160-N164 VanDerWaalsContact O-CB 3.26Å; F160-N164 WeakPolarHBondContact O-CB 3.48Å; F160-N164 PolarHBondContact O-N 3Å; F160-F165 HydrophobicContact CD1-CE2 4.39Å; F160-F165 HydrophobicContact CE1-CE2 4.11Å; F160-W172 HydrophobicContact CD2-CB 3.38Å; F160-W172 AromaticContact CD2-CG 3.99Å; F160-W172 HydrophobicContact CD2-CG 3.99Å; F160-W172 HydrophobicContact CE2-CB 3.44Å; F160-W172 VanDerWaalsContact CE2-CB 3.44Å; F160-W172 HydrophobicContact CE2-CG 4.49Å; F160-W172 HydrophobicContact CG-CB 4.44Å; F160-A176 HydrophobicContact CE2-CB 4.5Å; F160-L569 HydrophobicContact CE1-CB 4.13Å; F160-L569 HydrophobicContact CZ-CB 4.34Å; F160-L569 HydrophobicContact CZ-CD2 4Å; F160-T596 HydrophobicContact CB-CG2 4.24Å; F160-T596 HydrophobicContact CD1-CG2 3.67Å; F160-T596 HydrophobicContact CD2-CG2 3.52Å; F160-T596 HydrophobicContact CE1-CG2 3.84Å; F160-T596 HydrophobicContact CE2-CG2 3.68Å; F160-T596 HydrophobicContact CG-CG2 3.53Å; F160-T596 HydrophobicContact CZ-CG2 3.84Å
161F96.7Very high95.4Very high10 Ų1031.1 Ų31.14%0.04417%0.174CC..Hα-helixtrans-61.2-52.6-177.5175.1-107.2000111.6E159 F165 R231 F235 L438 L604 A607 L608E159-F161 PolarHBondContact O-N 3.25Å; E159-F161 VanDerWaalsContact O-N 3.16Å; F161-F165 HydrophobicContact CD2-CB 4.37Å; F161-F165 AromaticContact CD2-CD2 3.64Å; F161-F165 HydrophobicContact CD2-CD2 3.64Å; F161-F165 HydrophobicContact CD2-CE2 4.32Å; F161-F165 HydrophobicContact CD2-CG 4.25Å; F161-F165 HydrophobicContact CE2-CB 4.08Å; F161-F165 HydrophobicContact CE2-CD2 4.02Å; F161-F165 HydrophobicContact CE2-CG 4.18Å; F161-F165 WeakPolarHBondContact O-CB 3.18Å; F161-F165 WeakPolarHBondContact O-CD2 3.36Å; F161-F165 PolarHBondContact O-N 2.76Å; F161-R231 HydrophobicContact CD2-CB 4.37Å; F161-R231 HydrophobicContact CD2-CG 4.28Å; F161-R231 HydrophobicContact CE2-CB 4.42Å; F161-R231 HydrophobicContact CE2-CG 4.15Å; F161-F235 AromaticContact CE2-CE1 3.69Å; F161-F235 HydrophobicContact CE2-CE1 3.69Å; F161-F235 HydrophobicContact CE2-CZ 4.31Å; F161-F235 AromaticContact CZ-CE1 3.79Å; F161-F235 HydrophobicContact CZ-CE1 3.79Å; F161-F235 HydrophobicContact CZ-CZ 4.37Å; F161-L438 HydrophobicContact CE1-CD1 4.3Å; F161-L438 HydrophobicContact CZ-CD1 4.02Å; F161-L604 HydrophobicContact CD1-CD1 3.94Å; F161-L604 HydrophobicContact CD2-CD1 4.25Å; F161-L604 HydrophobicContact CE1-CD1 3.44Å; F161-L604 VanDerWaalsContact CE1-CD1 3.44Å; F161-L604 HydrophobicContact CE1-CG 4.36Å; F161-L604 HydrophobicContact CE2-CD1 3.84Å; F161-L604 HydrophobicContact CG-CD1 4.31Å; F161-L604 HydrophobicContact CZ-CD1 3.41Å; F161-L604 VanDerWaalsContact CZ-CD1 3.41Å; F161-L604 HydrophobicContact CZ-CG 4.49Å; F161-A607 HydrophobicContact CD1-CB 4.12Å; F161-L608 HydrophobicContact CE1-CD2 3.88Å; F161-L608 HydrophobicContact CE1-CG 4.29Å
162R95.8Very high95.3Very high73 Ų7330.4 Ų30.428%0.27517%0.17SC..Iπ-helixtrans-63.9-48.1179.8-175.3-172.4174.2124.3-10110.9E159 L166 A167 A607 L609E159-R162 PolarHBondContact O-N 2.92Å; R162-L166 HydrophobicContact CG-CB 4.45Å; R162-L166 HydrophobicContact CG-CD2 4.04Å; R162-L166 WeakPolarHBondContact O-CA 3.35Å; R162-L166 VanDerWaalsContact O-CB 3.28Å; R162-L166 WeakPolarHBondContact O-CB 3.16Å; R162-L166 PolarHBondContact O-N 3.49Å; R162-L166 VanDerWaalsContact O-N 3.08Å; R162-A167 PolarHBondContact O-N 3.17Å; R162-A607 WeakPolarHBondContact CD-O 3.43Å; R162-A607 PolarHBondContact NH1-O 2.98Å; R162-L609 PolarHBondContact NH1-O 2.95Å
163D95.1Very high95.2Very high22 Ų2231 Ų3112%0.11817%0.173CC..Iπ-helixtrans-59.9-54.1-177.8-71.5-5.5000110.7E159 A167 G168 D169 R171 W172E159-D163 WeakPolarHBondContact O-CB 3.37Å; E159-D163 PolarHBondContact O-N 3.41Å; D163-A167 CarbonylContact O-C 3.46Å; D163-A167 WeakPolarHBondContact O-CB 3.44Å; D163-A167 PolarHBondContact O-N 2.79Å; D163-G168 PolarHBondContact O-N 3.08Å; D163-D169 CarbonylContact C-O 3.28Å; D163-D169 HydrophobicContact CB-CB 4.27Å; D163-D169 WeakPolarHBondContact O-CA 3.46Å; D163-D169 PolarHBondContact O-N 2.81Å; D163-R171 IonicContact OD1-NH2 3.43Å; D163-R171 IonicContact OD2-CZ 2.67Å; D163-R171 IonicContact OD2-NE 2.69Å; D163-R171 PolarHBondContact OD2-NE 2.96Å; D163-R171 IonicContact OD2-NH2 3.69Å; D163-R171 PolarHBondContact OD2-NH2 2.95Å; D163-W172 PolarHBondContact OD2-NE1 2.92Å
164N96.1Very high95.1Very high15 Ų1538.8 Ų38.88%0.0820%0.203CC..Iπ-helixtrans-75.2-47.4-173-177.687.2000113.1F160 G168 D169 C199F160-N164 HydrophobicContact CD1-CB 4.22Å; F160-N164 HydrophobicContact CE1-CB 3.97Å; F160-N164 VanDerWaalsContact O-CB 3.26Å; F160-N164 WeakPolarHBondContact O-CB 3.48Å; F160-N164 PolarHBondContact O-N 3Å; N164-G168 WeakPolarHBondContact O-CA 3.1Å; N164-D169 WeakPolarHBondContact CA-O 2.89Å; N164-D169 PolarHBondContact N-O 3.3Å; N164-C199 PolarHBondContact OD1-SG 3.49Å
165F95.8Very high94.9Very high25 Ų2538.8 Ų38.811%0.1120%0.203CC..Iπ-helixtrans-91.6-34.9-170-63.2-82.3000113.1F160 F161 C199 D230 R231 D232 L438 L569F160-F165 HydrophobicContact CD1-CE2 4.39Å; F160-F165 HydrophobicContact CE1-CE2 4.11Å; F161-F165 HydrophobicContact CD2-CB 4.37Å; F161-F165 AromaticContact CD2-CD2 3.64Å; F161-F165 HydrophobicContact CD2-CD2 3.64Å; F161-F165 HydrophobicContact CD2-CE2 4.32Å; F161-F165 HydrophobicContact CD2-CG 4.25Å; F161-F165 HydrophobicContact CE2-CB 4.08Å; F161-F165 HydrophobicContact CE2-CD2 4.02Å; F161-F165 HydrophobicContact CE2-CG 4.18Å; F161-F165 WeakPolarHBondContact O-CB 3.18Å; F161-F165 WeakPolarHBondContact O-CD2 3.36Å; F161-F165 PolarHBondContact O-N 2.76Å; F165-C199 HydrophobicContact CZ-CB 4.35Å; F165-D230 HydrophobicContact CE1-CB 3.88Å; F165-D230 HydrophobicContact CZ-CB 3.9Å; F165-R231 HydrophobicContact CE2-CB 4.48Å; F165-D232 HydrophobicContact CD1-CB 3.81Å; F165-D232 WeakPolarHBondContact CD1-OD2 3.37Å; F165-D232 HydrophobicContact CE1-CB 4.01Å; F165-D232 VanDerWaalsContact CE1-CG 3.44Å; F165-D232 WeakPolarHBondContact CE1-OD1 3.38Å; F165-L438 HydrophobicContact CB-CD2 3.95Å; F165-L438 WeakPolarHBondContact O-CD2 3.5Å; F165-L569 WeakPolarHBondContact CE2-O 3.23Å; F165-L569 VanDerWaalsContact CZ-O 3.29Å; F165-L569 WeakPolarHBondContact CZ-O 3.49Å
166L95.6Very high94.9Very high11 Ų1138.5 Ų38.56%0.05820%0.201CC..Iπ-helixtrans-91.2-54.7178.4179.669.1000111.4R162 G168 N434 Q437 L438 L608R162-L166 HydrophobicContact CG-CB 4.45Å; R162-L166 HydrophobicContact CG-CD2 4.04Å; R162-L166 WeakPolarHBondContact O-CA 3.35Å; R162-L166 VanDerWaalsContact O-CB 3.28Å; R162-L166 WeakPolarHBondContact O-CB 3.16Å; R162-L166 PolarHBondContact O-N 3.49Å; R162-L166 VanDerWaalsContact O-N 3.08Å; L166-G168 VanDerWaalsContact C-N 3.33Å; L166-N434 HydrophobicContact CD1-CB 3.8Å; L166-N434 HydrophobicContact CD2-CB 3.95Å; L166-Q437 HydrophobicContact CD1-CB 4.21Å; L166-Q437 HydrophobicContact CD1-CG 4.29Å; L166-Q437 PolarHBondContact O-NE2 3.06Å; L166-L438 HydrophobicContact CB-CD1 4.39Å; L166-L438 HydrophobicContact CB-CD2 4.35Å; L166-L438 HydrophobicContact CD1-CD1 4.27Å; L166-L438 HydrophobicContact CD1-CG 4.04Å; L166-L608 HydrophobicContact CB-CD2 4.49Å; L166-L608 HydrophobicContact CD2-CD2 3.96Å
167A95Very high95Very high71 Ų7137.1 Ų37.159%0.58720%0.195SC*.Iπ-helixtrans-79.6-16.6-17600000113.3R162 D163 D169R162-A167 PolarHBondContact O-N 3.17Å; D163-A167 CarbonylContact O-C 3.46Å; D163-A167 WeakPolarHBondContact O-CB 3.44Å; D163-A167 PolarHBondContact O-N 2.79Å; A167-D169 HydrophobicContact CB-CB 4.46Å; A167-D169 PolarHBondContact O-N 2.86Å
168G94.3Very high95.1Very high46 Ų4637.8 Ų37.847%0.47420%0.2SC..  trans71.315.1-17400000113.5D163 N164 L166 Q170D163-G168 PolarHBondContact O-N 3.08Å; N164-G168 WeakPolarHBondContact O-CA 3.1Å; L166-G168 VanDerWaalsContact C-N 3.33Å; G168-Q170 PolarHBondContact O-N 3.4Å
169D93.9Very high95.4Very high60 Ų6034 Ų3432%0.32118%0.176SC..  trans-82.2106.8177.4-176.3-5.7000110.6D163 N164 A167 R171D163-D169 CarbonylContact C-O 3.28Å; D163-D169 HydrophobicContact CB-CB 4.27Å; D163-D169 WeakPolarHBondContact O-CA 3.46Å; D163-D169 PolarHBondContact O-N 2.81Å; N164-D169 WeakPolarHBondContact CA-O 2.89Å; N164-D169 PolarHBondContact N-O 3.3Å; A167-D169 HydrophobicContact CB-CB 4.46Å; A167-D169 PolarHBondContact O-N 2.86Å; D169-R171 VanDerWaalsContact C-N 3.34Å; D169-R171 PolarHBondContact O-N 3.16Å; D169-R171 VanDerWaalsContact OD1-CB 3.22Å; D169-R171 WeakPolarHBondContact OD1-CB 3.43Å; D169-R171 WeakPolarHBondContact OD1-CD 3.47Å; D169-R171 WeakPolarHBondContact OD1-CG 3.43Å; D169-R171 PolarHBondContact OD1-N 3.21Å; D169-R171 WeakPolarHBondContact OD2-CD 3.29Å; D169-R171 IonicContact OD2-CZ 3.55Å; D169-R171 IonicContact OD2-NE 3.21Å; D169-R171 PolarHBondContact OD2-NE 3.43Å
170Q94.1Very high95.7Very high77 Ų7732.9 Ų32.936%0.3617%0.17SC..  trans-91.911.8-174.6-64.4168.72.500113.2G168 W172 V173 M202G168-Q170 PolarHBondContact O-N 3.4Å; Q170-W172 PolarHBondContact O-N 3.08Å; Q170-V173 HydrophobicContact CB-CG2 3.99Å; Q170-V173 WeakPolarHBondContact O-CB 3.44Å; Q170-V173 VanDerWaalsContact O-CG2 3.31Å; Q170-V173 WeakPolarHBondContact O-CG2 3.4Å; Q170-V173 PolarHBondContact O-N 3.3Å; Q170-M202 VanDerWaalsContact CD-SD 3.58Å; Q170-M202 HydrophobicContact CG-CE 3.91Å; Q170-M202 HydrophobicContact CG-SD 4.44Å; Q170-M202 PolarHBondContact OE1-SD 3.13Å; Q170-M202 VanDerWaalsContact OE1-SD 3.33Å
171R91.9Very high95.6Very high81 Ų8135.1 Ų35.131%0.30618%0.181SC..THydrogen-bonded Turntrans-53.8-27.4-177.467-173.9-178.9175.1-1.2114.6F120 D163 D169F120-R171 HydrophobicContact CE1-CB 4.11Å; F120-R171 HydrophobicContact CE2-CB 4.48Å; F120-R171 HydrophobicContact CE2-CG 4.14Å; F120-R171 HydrophobicContact CZ-CB 3.86Å; F120-R171 HydrophobicContact CZ-CG 3.76Å; D163-R171 IonicContact OD1-NH2 3.43Å; D163-R171 IonicContact OD2-CZ 2.67Å; D163-R171 IonicContact OD2-NE 2.69Å; D163-R171 PolarHBondContact OD2-NE 2.96Å; D163-R171 IonicContact OD2-NH2 3.69Å; D163-R171 PolarHBondContact OD2-NH2 2.95Å; D169-R171 VanDerWaalsContact C-N 3.34Å; D169-R171 PolarHBondContact O-N 3.16Å; D169-R171 VanDerWaalsContact OD1-CB 3.22Å; D169-R171 WeakPolarHBondContact OD1-CB 3.43Å; D169-R171 WeakPolarHBondContact OD1-CD 3.47Å; D169-R171 WeakPolarHBondContact OD1-CG 3.43Å; D169-R171 PolarHBondContact OD1-N 3.21Å; D169-R171 WeakPolarHBondContact OD2-CD 3.29Å; D169-R171 IonicContact OD2-CZ 3.55Å; D169-R171 IonicContact OD2-NE 3.21Å; D169-R171 PolarHBondContact OD2-NE 3.43Å
172W94.4Very high95.6Very high3 Ų337 Ų371%0.01119%0.19CC..THydrogen-bonded Turntrans-85.4-7.2-178.4-60.9119.2000114.5P87 P117 F120 L157 E159 F160 D163 Q170 R174 T175 A176P87-W172 HydrophobicContact CG-CH2 3.96Å; P117-W172 HydrophobicContact CG-CZ3 4.22Å; F120-W172 AromaticContact CE2-CH2 3.92Å; F120-W172 HydrophobicContact CE2-CH2 3.92Å; F120-W172 HydrophobicContact CE2-CZ2 4.13Å; F120-W172 HydrophobicContact CE2-CZ3 4.26Å; F120-W172 HydrophobicContact CZ-CD2 4.38Å; F120-W172 HydrophobicContact CZ-CE3 4.04Å; F120-W172 AromaticContact CZ-CH2 3.94Å; F120-W172 HydrophobicContact CZ-CH2 3.94Å; F120-W172 HydrophobicContact CZ-CZ2 4.29Å; F120-W172 AromaticContact CZ-CZ3 3.8Å; F120-W172 HydrophobicContact CZ-CZ3 3.8Å; L157-W172 HydrophobicContact CD1-CD2 4.48Å; L157-W172 HydrophobicContact CD1-CE3 4.06Å; L157-W172 HydrophobicContact CD1-CZ3 4.36Å; L157-W172 HydrophobicContact CD2-CH2 4.15Å; L157-W172 HydrophobicContact CD2-CZ2 4.46Å; L157-W172 HydrophobicContact CD2-CZ3 4.21Å; E159-W172 HydrophobicContact CG-CZ2 4.14Å; F160-W172 HydrophobicContact CD2-CB 3.38Å; F160-W172 AromaticContact CD2-CG 3.99Å; F160-W172 HydrophobicContact CD2-CG 3.99Å; F160-W172 HydrophobicContact CE2-CB 3.44Å; F160-W172 VanDerWaalsContact CE2-CB 3.44Å; F160-W172 HydrophobicContact CE2-CG 4.49Å; F160-W172 HydrophobicContact CG-CB 4.44Å; D163-W172 PolarHBondContact OD2-NE1 2.92Å; Q170-W172 PolarHBondContact O-N 3.08Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 2.83Å; W172-T175 HydrophobicContact CE3-CG2 4.34Å; W172-T175 WeakPolarHBondContact O-CA 3.45Å; W172-T175 VanDerWaalsContact O-CB 3.28Å; W172-T175 WeakPolarHBondContact O-CB 3.41Å; W172-T175 PolarHBondContact O-N 3.44Å; W172-A176 PolarHBondContact O-N 3.37Å
173V96Very high95.6Very high14 Ų1433.6 Ų33.69%0.08518%0.178CC..Hα-helixtrans-57-45.6177.6169.60000111Q170 T175 A176 A177 M202Q170-V173 HydrophobicContact CB-CG2 3.99Å; Q170-V173 WeakPolarHBondContact O-CB 3.44Å; Q170-V173 VanDerWaalsContact O-CG2 3.31Å; Q170-V173 WeakPolarHBondContact O-CG2 3.4Å; Q170-V173 PolarHBondContact O-N 3.3Å; V173-T175 VanDerWaalsContact C-N 3.26Å; V173-T175 PolarHBondContact O-N 3.48Å; V173-A176 PolarHBondContact O-N 3.26Å; V173-A177 WeakPolarHBondContact O-CB 3.4Å; V173-A177 PolarHBondContact O-N 2.82Å; V173-M202 HydrophobicContact CG1-CB 3.82Å; V173-M202 HydrophobicContact CG2-CB 4.31Å; V173-M202 HydrophobicContact CG2-CE 4.12Å
174R94.6Very high95.5Very high164 Ų16434.1 Ų34.162%0.61918%0.18SC*.Hα-helixtrans-60.9-37.6176.8-175.8174.2-178.11620.2111.8W172 A177 S178W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 2.83Å; R174-A177 PolarHBondContact O-N 3.46Å; R174-S178 WeakPolarHBondContact O-CB 3.43Å; R174-S178 PolarHBondContact O-N 3.4Å; R174-S178 PolarHBondContact O-OG 3.04Å
175T95.8Very high95.4Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-63.9-45.7177.1-58.50000111.7P117 Q118 Y144 L155 L157 W172 V173 A177 S178 A179P117-T175 HydrophobicContact CB-CG2 4.33Å; P117-T175 HydrophobicContact CG-CG2 3.42Å; P117-T175 VanDerWaalsContact CG-CG2 3.42Å; Q118-T175 PolarHBondContact NE2-OG1 2.81Å; Q118-T175 PolarHBondContact OE1-OG1 2.74Å; Y144-T175 HydrophobicContact CD1-CG2 3.83Å; Y144-T175 HydrophobicContact CE1-CG2 4.28Å; L155-T175 HydrophobicContact CD2-CG2 4.4Å; L157-T175 HydrophobicContact CD1-CG2 3.87Å; W172-T175 HydrophobicContact CE3-CG2 4.34Å; W172-T175 WeakPolarHBondContact O-CA 3.45Å; W172-T175 VanDerWaalsContact O-CB 3.28Å; W172-T175 WeakPolarHBondContact O-CB 3.41Å; W172-T175 PolarHBondContact O-N 3.44Å; V173-T175 VanDerWaalsContact C-N 3.26Å; V173-T175 PolarHBondContact O-N 3.48Å; T175-A177 VanDerWaalsContact C-N 3.33Å; T175-A177 PolarHBondContact O-N 3.35Å; T175-S178 PolarHBondContact O-N 2.87Å; T175-A179 PolarHBondContact O-N 2.85Å
176A97.8Very high95.2Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-61.6-42.6175.100000111.6F160 W172 V173 A179 L180 T203 M567 L569F160-A176 HydrophobicContact CE2-CB 4.5Å; W172-A176 PolarHBondContact O-N 3.37Å; V173-A176 PolarHBondContact O-N 3.26Å; A176-A179 WeakPolarHBondContact O-CB 3.5Å; A176-A179 PolarHBondContact O-N 3.49Å; A176-L180 PolarHBondContact O-N 2.92Å; A176-T203 HydrophobicContact CB-CG2 3.7Å; A176-M567 HydrophobicContact CB-CE 3.62Å; A176-L569 HydrophobicContact CB-CD2 3.76Å
177A97.9Very high95.1Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-63.4-42.2176.200000112.7V173 R174 T175 A179 L180 H181 T203 W207V173-A177 WeakPolarHBondContact O-CB 3.4Å; V173-A177 PolarHBondContact O-N 2.82Å; R174-A177 PolarHBondContact O-N 3.46Å; T175-A177 VanDerWaalsContact C-N 3.33Å; T175-A177 PolarHBondContact O-N 3.35Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 3.49Å; A177-L180 PolarHBondContact O-N 3.21Å; A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 2.81Å; A177-T203 HydrophobicContact CB-CG2 4.4Å; A177-W207 HydrophobicContact CB-CB 4.01Å
178S96.9Very high94.9Very high15 Ų1532.1 Ų32.111%0.10516%0.164CC..Hα-helixtrans-64.8-36.6175.5-63.70000112.3R174 T175 H181 L182 Q210R174-S178 WeakPolarHBondContact O-CB 3.43Å; R174-S178 PolarHBondContact O-N 3.4Å; R174-S178 PolarHBondContact O-OG 3.04Å; T175-S178 PolarHBondContact O-N 2.87Å; S178-H181 PolarHBondContact O-N 3.04Å; S178-L182 WeakPolarHBondContact O-CB 3.43Å; S178-L182 PolarHBondContact O-N 2.99Å; S178-Q210 PolarHBondContact OG-OE1 3.02Å
179A97.7Very high94.8Very high1 Ų132.8 Ų32.81%0.00816%0.16CC..Hα-helixtrans-59.6-47.9171.200000111L145 L155 T175 A176 A177 H181 L182 L183L145-A179 HydrophobicContact CD1-CB 4.48Å; L145-A179 HydrophobicContact CD2-CB 3.66Å; L145-A179 HydrophobicContact CG-CB 4.06Å; L155-A179 HydrophobicContact CD1-CB 4.32Å; T175-A179 PolarHBondContact O-N 2.85Å; A176-A179 WeakPolarHBondContact O-CB 3.5Å; A176-A179 PolarHBondContact O-N 3.49Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 3.49Å; A179-H181 VanDerWaalsContact C-N 3.33Å; A179-H181 PolarHBondContact O-N 3.3Å; A179-L182 PolarHBondContact O-N 3Å; A179-L183 WeakPolarHBondContact O-CG 3.42Å; A179-L183 PolarHBondContact O-N 3.36Å; A179-L183 VanDerWaalsContact O-N 3.12Å
180L97.3Very high94.7Very high1 Ų130.4 Ų30.41%0.00515%0.147CC..Hα-helixtrans-64.8-37.5177.5-171.161.6000112A176 A177 L183 H184 F190 W207 V226 L228 L565A176-L180 PolarHBondContact O-N 2.92Å; A177-L180 PolarHBondContact O-N 3.21Å; L180-L183 PolarHBondContact O-N 2.81Å; L180-H184 WeakPolarHBondContact O-CB 3.34Å; L180-H184 PolarHBondContact O-N 2.83Å; L180-F190 HydrophobicContact CD1-CD2 4.44Å; L180-F190 HydrophobicContact CD1-CE2 3.44Å; L180-F190 VanDerWaalsContact CD1-CE2 3.44Å; L180-F190 HydrophobicContact CD1-CZ 3.7Å; L180-F190 HydrophobicContact CD2-CE2 4.47Å; L180-F190 HydrophobicContact CG-CE2 3.77Å; L180-F190 HydrophobicContact CG-CZ 4.37Å; L180-W207 HydrophobicContact CB-CG 4.2Å; L180-W207 HydrophobicContact CD2-CB 4.03Å; L180-W207 HydrophobicContact CD2-CD2 3.74Å; L180-W207 HydrophobicContact CD2-CE3 4.27Å; L180-W207 HydrophobicContact CD2-CG 3.62Å; L180-W207 HydrophobicContact CG-CD2 4.18Å; L180-W207 HydrophobicContact CG-CG 3.91Å; L180-V226 HydrophobicContact CD1-CG1 4.16Å; L180-L228 HydrophobicContact CD2-CD1 4.38Å; L180-L228 HydrophobicContact CD2-CD2 4.19Å; L180-L565 HydrophobicContact CD1-CD2 4.37Å
181H96Very high94.6Very high49 Ų4927.1 Ų27.123%0.22713%0.132CC..Hα-helixtrans-65.4-39.8175.9-178.475000111.9A177 S178 A179 H184 S185 W207A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 2.81Å; S178-H181 PolarHBondContact O-N 3.04Å; A179-H181 VanDerWaalsContact C-N 3.33Å; A179-H181 PolarHBondContact O-N 3.3Å; H181-H184 PolarHBondContact O-N 3.5Å; H181-S185 VanDerWaalsContact O-CB 3.32Å; H181-S185 WeakPolarHBondContact O-CB 3.28Å; H181-S185 PolarHBondContact O-N 3.3Å; H181-S185 PolarHBondContact O-OG 3.45Å; H181-W207 VanDerWaalsContact N-CD1 3.34Å
182L95.5Very high94.7Very high48 Ų4824.6 Ų24.625%0.25112%0.124SC..Hα-helixtrans-62.3-45174.6-179.156000111.1L18 Y144 L145 S178 A179 S185 L186L18-L182 HydrophobicContact CD2-CD2 4.14Å; L18-L182 HydrophobicContact CD2-CG 4.3Å; Y144-L182 HydrophobicContact CD2-CD2 4.33Å; L145-L182 HydrophobicContact CD1-CB 4.34Å; L145-L182 HydrophobicContact CD1-CD2 4.03Å; L145-L182 HydrophobicContact CD1-CG 4.3Å; S178-L182 WeakPolarHBondContact O-CB 3.43Å; S178-L182 PolarHBondContact O-N 2.99Å; A179-L182 PolarHBondContact O-N 3Å; L182-S185 PolarHBondContact O-N 2.8Å; L182-L186 HydrophobicContact CD1-CD1 3.95Å; L182-L186 HydrophobicContact CD1-CG 4.1Å; L182-L186 HydrophobicContact CG-CD1 4.14Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.32Å; L182-L186 PolarHBondContact O-N 3.26Å
183L96.1Very high94.9Very high3 Ų324.8 Ų24.82%0.01613%0.125CC..Hα-helixtrans-63.5-44.1176.5-67.4171.7000112.1L18 L145 I153 A179 L180 S185 L186 F187 F190 L565 V594L18-L183 HydrophobicContact CD1-CD2 4.22Å; L18-L183 HydrophobicContact CD2-CD2 4.49Å; L145-L183 HydrophobicContact CD1-CD1 4.02Å; L145-L183 HydrophobicContact CD1-CD2 3.68Å; L145-L183 HydrophobicContact CD1-CG 3.54Å; L145-L183 HydrophobicContact CD2-CD1 4.46Å; I153-L183 HydrophobicContact CD1-CD2 4.21Å; A179-L183 WeakPolarHBondContact O-CG 3.42Å; A179-L183 PolarHBondContact O-N 3.36Å; A179-L183 VanDerWaalsContact O-N 3.12Å; L180-L183 PolarHBondContact O-N 2.81Å; L183-S185 VanDerWaalsContact C-N 3.31Å; L183-S185 PolarHBondContact O-N 2.88Å; L183-L186 PolarHBondContact O-N 3.02Å; L183-F187 HydrophobicContact CB-CD2 4.42Å; L183-F187 HydrophobicContact CD2-CD2 3.87Å; L183-F187 HydrophobicContact CD2-CE2 3.61Å; L183-F187 WeakPolarHBondContact O-CB 3.36Å; L183-F187 WeakPolarHBondContact O-CD2 3.4Å; L183-F187 PolarHBondContact O-N 3.01Å; L183-F190 HydrophobicContact CB-CZ 4.36Å; L183-L565 HydrophobicContact CD1-CD1 3.61Å; L183-V594 HydrophobicContact CD1-CG2 4.02Å
184H93.7Very high95Very high33 Ų3324.3 Ų24.315%0.15312%0.122CC..Hα-helixtrans-57.6-44.6173.2179.8109.5000111.7L180 H181 L186 G188 P189 F190 W207L180-H184 WeakPolarHBondContact O-CB 3.34Å; L180-H184 PolarHBondContact O-N 2.83Å; H181-H184 PolarHBondContact O-N 3.5Å; H184-L186 VanDerWaalsContact C-N 3.31Å; H184-L186 PolarHBondContact O-N 3.35Å; H184-G188 CarbonylContact O-C 3.33Å; H184-G188 VanDerWaalsContact O-CA 3.31Å; H184-G188 WeakPolarHBondContact O-CA 3.26Å; H184-G188 PolarHBondContact O-N 3.42Å; H184-G188 VanDerWaalsContact O-O 3.1Å; H184-P189 VanDerWaalsContact CE1-CA 3.49Å; H184-P189 WeakPolarHBondContact CE1-CA 3.33Å; H184-F190 HydrophobicContact CB-CE2 3.92Å; H184-F190 HydrophobicContact CB-CZ 3.86Å; H184-W207 HydrophobicContact CB-CZ2 4.48Å; H184-W207 AromaticContact ND1-CZ2 3.45Å; H184-W207 WeakPolarHBondContact ND1-CZ2 3.35Å
185S92.8Very high95.1Very high48 Ų4816.5 Ų16.534%0.3369%0.092SC..Hα-helixtrans-67.7-31.9-178.8-63.10000112.6H181 L182 L183 R219H181-S185 VanDerWaalsContact O-CB 3.32Å; H181-S185 WeakPolarHBondContact O-CB 3.28Å; H181-S185 PolarHBondContact O-N 3.3Å; H181-S185 PolarHBondContact O-OG 3.45Å; L182-S185 PolarHBondContact O-N 2.8Å; L183-S185 VanDerWaalsContact C-N 3.31Å; L183-S185 PolarHBondContact O-N 2.88Å; S185-R219 VanDerWaalsContact O-CZ 3.28Å; S185-R219 PolarHBondContact O-NH1 3.06Å
186L92.9Very high95.2Very high23 Ų2316.6 Ų16.612%0.129%0.093CC..Hα-helixtrans-82.5-48.5179.4-67.5179.5000112.4L17 L18 L21 L182 L183 H184 R219L17-L186 HydrophobicContact CD2-CD1 4.33Å; L17-L186 HydrophobicContact CD2-CD2 3.85Å; L18-L186 HydrophobicContact CD2-CD1 3.52Å; L18-L186 HydrophobicContact CG-CD1 4.4Å; L21-L186 HydrophobicContact CD1-CD1 3.71Å; L21-L186 HydrophobicContact CD1-CD2 3.82Å; L21-L186 HydrophobicContact CD1-CG 4.38Å; L182-L186 HydrophobicContact CD1-CD1 3.95Å; L182-L186 HydrophobicContact CD1-CG 4.1Å; L182-L186 HydrophobicContact CG-CD1 4.14Å; L182-L186 WeakPolarHBondContact O-CB 3.46Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.32Å; L182-L186 PolarHBondContact O-N 3.26Å; L183-L186 PolarHBondContact O-N 3.02Å; H184-L186 VanDerWaalsContact C-N 3.31Å; H184-L186 PolarHBondContact O-N 3.35Å; L186-R219 VanDerWaalsContact CA-NH1 3.31Å; L186-R219 PolarHBondContact O-NH1 3.27Å
187F92.9Very high95.2Very high7 Ų716.8 Ų16.83%0.03110%0.095CC..Hα-helixtrans-108.710.6-167-55.7-59.7000114P13 L15 L183 E222 I223P13-F187 HydrophobicContact CB-CD1 3.59Å; P13-F187 HydrophobicContact CB-CE1 3.61Å; P13-F187 HydrophobicContact CB-CG 4.29Å; P13-F187 HydrophobicContact CB-CZ 4.29Å; P13-F187 HydrophobicContact CG-CD1 4.36Å; P13-F187 HydrophobicContact CG-CE1 4.42Å; L15-F187 HydrophobicContact CD2-CE2 4.05Å; L15-F187 HydrophobicContact CD2-CZ 3.92Å; L183-F187 HydrophobicContact CB-CD2 4.42Å; L183-F187 HydrophobicContact CD2-CD2 3.87Å; L183-F187 HydrophobicContact CD2-CE2 3.61Å; L183-F187 WeakPolarHBondContact O-CB 3.36Å; L183-F187 WeakPolarHBondContact O-CD2 3.4Å; L183-F187 PolarHBondContact O-N 3.01Å; F187-E222 HydrophobicContact CB-CB 4.25Å; F187-E222 PolarHBondContact O-N 3.17Å; F187-I223 HydrophobicContact CB-CD1 4.01Å; F187-I223 HydrophobicContact CB-CG1 4.37Å; F187-I223 HydrophobicContact CD2-CD1 4.03Å; F187-I223 HydrophobicContact CG-CD1 4.21Å
188G91Very high95.1Very high2 Ų224.2 Ų24.22%0.02112%0.123CC..  trans85.2179.3176.300000114.3H184H184-G188 CarbonylContact O-C 3.33Å; H184-G188 VanDerWaalsContact O-CA 3.31Å; H184-G188 WeakPolarHBondContact O-CA 3.26Å; H184-G188 PolarHBondContact O-N 3.42Å; H184-G188 VanDerWaalsContact O-O 3.1Å
189P91.5Very high95.1Very high59 Ų5923.6 Ų23.638%0.38312%0.118SC..  trans-71.7144.1-173.429.7-35.2000112.6H184 R219 A221H184-P189 VanDerWaalsContact CE1-CA 3.49Å; H184-P189 WeakPolarHBondContact CE1-CA 3.33Å; P189-R219 WeakPolarHBondContact CD-O 3.38Å; P189-A221 WeakPolarHBondContact O-CB 3.46Å
190F92.3Very high95.1Very high10 Ų1023.5 Ų23.54%0.04412%0.118CC..  trans-76.9138.6173.6-50.6-45000110.7L180 L183 H184 V193 W207 I223 V226L180-F190 HydrophobicContact CD1-CD2 4.44Å; L180-F190 HydrophobicContact CD1-CE2 3.44Å; L180-F190 VanDerWaalsContact CD1-CE2 3.44Å; L180-F190 HydrophobicContact CD1-CZ 3.7Å; L180-F190 HydrophobicContact CD2-CE2 4.47Å; L180-F190 HydrophobicContact CG-CE2 3.77Å; L180-F190 HydrophobicContact CG-CZ 4.37Å; L183-F190 HydrophobicContact CB-CZ 4.36Å; H184-F190 HydrophobicContact CB-CE2 3.92Å; H184-F190 HydrophobicContact CB-CZ 3.86Å; F190-V193 HydrophobicContact CB-CG2 4.03Å; F190-V193 HydrophobicContact CD2-CG2 4.29Å; F190-W207 AromaticContact CD2-CH2 3.72Å; F190-W207 HydrophobicContact CD2-CH2 3.72Å; F190-W207 AromaticContact CD2-CZ2 3.35Å; F190-W207 HydrophobicContact CD2-CZ2 3.35Å; F190-W207 AromaticContact CE2-CE2 3.94Å; F190-W207 HydrophobicContact CE2-CH2 4.34Å; F190-W207 AromaticContact CE2-CZ2 3.56Å; F190-W207 HydrophobicContact CE2-CZ2 3.56Å; F190-I223 HydrophobicContact CD1-CB 4.42Å; F190-I223 HydrophobicContact CD1-CG2 4.3Å; F190-I223 HydrophobicContact CE1-CB 4.37Å; F190-I223 HydrophobicContact CE1-CG2 4.32Å; F190-V226 HydrophobicContact CB-CG2 3.91Å; F190-V226 HydrophobicContact CD1-CG2 3.52Å; F190-V226 HydrophobicContact CD2-CG2 3.66Å; F190-V226 HydrophobicContact CE1-CG2 3.91Å; F190-V226 HydrophobicContact CE2-CG2 4.05Å; F190-V226 HydrophobicContact CG-CG2 3.39Å; F190-V226 HydrophobicContact CZ-CG2 4.16Å
191S91.2Very high95.2Very high8 Ų827.8 Ų27.86%0.05614%0.136CC..SBendtrans-82-39.6179.8-56.80000112G224 G551 Q561S191-G224 WeakPolarHBondContact CA-O 3.39Å; S191-G224 WeakPolarHBondContact CB-O 3.36Å; S191-G224 PolarHBondContact N-O 2.85Å; S191-G551 PolarHBondContact O-N 2.83Å; S191-Q561 PolarHBondContact OG-NE2 3.32Å
192K94.5Very high95.3Very high29 Ų2927.1 Ų27.113%0.12613%0.134CC..EExtended strand (participates in β ladder)trans-142.6140173.8-61.7-171.5178-169.20110.7Y194 G224 N225 V226 D530 V549 T550K192-Y194 HydrophobicContact CB-CE2 3.89Å; K192-Y194 WeakPolarHBondContact CD-OH 3.46Å; K192-G224 PolarHBondContact N-O 3.02Å; K192-G224 VanDerWaalsContact N-O 3.08Å; K192-N225 WeakPolarHBondContact O-CA 3.43Å; K192-V226 PolarHBondContact O-N 3.28Å; K192-D530 IonicContact NZ-OD1 3.48Å; K192-D530 PolarHBondContact NZ-OD1 3.29Å; K192-D530 IonicContact NZ-OD2 2.72Å; K192-D530 PolarHBondContact NZ-OD2 3.34Å; K192-V549 WeakPolarHBondContact CA-O 3.34Å; K192-T550 HydrophobicContact CG-CG2 4.44Å
193V97.5Very high95.4Very high6 Ų624.9 Ų24.94%0.03612%0.122CC..EExtended strand (participates in β ladder)trans-122.6119.1174.7-170.40000108.3F190 Y204 W207 V226 F547 A548 V549F190-V193 HydrophobicContact CB-CG2 4.03Å; F190-V193 HydrophobicContact CD2-CG2 4.29Å; V193-Y204 HydrophobicContact CB-CD2 4.32Å; V193-Y204 HydrophobicContact CB-CE2 4.16Å; V193-Y204 HydrophobicContact CG1-CD2 3.84Å; V193-Y204 HydrophobicContact CG1-CE2 4.19Å; V193-Y204 HydrophobicContact CG2-CE2 4.48Å; V193-W207 HydrophobicContact CG2-CH2 4.13Å; V193-W207 HydrophobicContact CG2-CZ3 4.17Å; V193-V226 CarbonylContact C-O 3.58Å; V193-V226 WeakPolarHBondContact CA-O 3.49Å; V193-V226 HydrophobicContact CG1-CB 4.19Å; V193-V226 HydrophobicContact CG1-CG1 4.18Å; V193-V226 HydrophobicContact CG2-CB 4.28Å; V193-F547 HydrophobicContact CG1-CE2 4.15Å; V193-A548 CarbonylContact O-C 3.43Å; V193-A548 WeakPolarHBondContact O-CA 3.45Å; V193-V549 PolarHBondContact N-O 3.37Å; V193-V549 PolarHBondContact O-N 2.71Å
194Y98.2Very high95.5Very high4 Ų425.9 Ų25.92%0.01613%0.126CC..EExtended strand (participates in β ladder)trans-105148.9171.6-52.4-81.1000108.4K192 N225 V226 F227 L228 V526 D530 F547 A548K192-Y194 HydrophobicContact CB-CE2 3.89Å; K192-Y194 WeakPolarHBondContact CD-OH 3.46Å; Y194-N225 HydrophobicContact CE2-CB 4.49Å; Y194-V226 PolarHBondContact N-O 3.47Å; Y194-F227 HydrophobicContact CD2-CD1 4.31Å; Y194-F227 HydrophobicContact CD2-CD2 4.22Å; Y194-F227 AromaticContact CD2-CE1 3.82Å; Y194-F227 HydrophobicContact CD2-CE1 3.82Å; Y194-F227 AromaticContact CD2-CE2 3.7Å; Y194-F227 HydrophobicContact CD2-CE2 3.7Å; Y194-F227 HydrophobicContact CD2-CG 4.49Å; Y194-F227 AromaticContact CD2-CZ 3.48Å; Y194-F227 HydrophobicContact CD2-CZ 3.48Å; Y194-F227 VanDerWaalsContact CD2-CZ 3.48Å; Y194-F227 HydrophobicContact CE2-CE2 4.19Å; Y194-F227 AromaticContact CE2-CZ 3.99Å; Y194-F227 HydrophobicContact CE2-CZ 3.99Å; Y194-F227 HydrophobicContact CG-CD1 4.34Å; Y194-F227 AromaticContact CG-CE1 3.89Å; Y194-F227 HydrophobicContact CG-CE1 3.89Å; Y194-F227 HydrophobicContact CG-CZ 4.01Å; Y194-F227 CarbonylContact O-C 3.58Å; Y194-F227 WeakPolarHBondContact O-CA 3.45Å; Y194-L228 PolarHBondContact O-N 3.19Å; Y194-V526 HydrophobicContact CD1-CG1 3.55Å; Y194-V526 HydrophobicContact CD2-CG1 4.35Å; Y194-V526 HydrophobicContact CE1-CG1 3.8Å; Y194-V526 HydrophobicContact CG-CG1 3.85Å; Y194-D530 PolarHBondContact OH-OD1 3.48Å; Y194-F547 WeakPolarHBondContact CA-O 3.21Å; Y194-A548 HydrophobicContact CD1-CB 3.76Å; Y194-A548 HydrophobicContact CE1-CB 4.03Å
195G98.1Very high95.7Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans-157.8163.7164.800000113.6L228 W532 E546 F547G195-L228 CarbonylContact C-O 3.49Å; G195-L228 WeakPolarHBondContact CA-O 3.45Å; G195-W532 WeakPolarHBondContact O-CZ2 3.47Å; G195-E546 CarbonylContact O-C 3.59Å; G195-E546 VanDerWaalsContact O-CA 3.26Å; G195-E546 WeakPolarHBondContact O-CA 3.23Å; G195-F547 VanDerWaalsContact CA-CE1 3.43Å; G195-F547 PolarHBondContact N-O 2.73Å; G195-F547 PolarHBondContact O-N 3.47Å
196I98.1Very high95.9Very high2 Ų226.6 Ų26.61%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-147.8130.6179.1-172156.7000110S200 L228 I229 D230 V233 W532 T539 I542I196-S200 PolarHBondContact O-OG 2.76Å; I196-L228 PolarHBondContact N-O 3.27Å; I196-I229 HydrophobicContact CG2-CG1 4.22Å; I196-I229 HydrophobicContact CG2-CG2 4.23Å; I196-D230 PolarHBondContact O-N 2.99Å; I196-V233 HydrophobicContact CD1-CG1 4.48Å; I196-V233 HydrophobicContact CG1-CG1 4.48Å; I196-V233 HydrophobicContact CG1-CG2 4.11Å; I196-V233 HydrophobicContact CG2-CG1 4.31Å; I196-V233 HydrophobicContact CG2-CG2 4.26Å; I196-W532 HydrophobicContact CB-CH2 3.69Å; I196-W532 HydrophobicContact CB-CZ2 3.99Å; I196-W532 HydrophobicContact CD1-CH2 3.72Å; I196-W532 HydrophobicContact CD1-CZ3 3.79Å; I196-W532 HydrophobicContact CG1-CH2 4.3Å; I196-W532 HydrophobicContact CG2-CH2 3.93Å; I196-W532 HydrophobicContact CG2-CZ2 4.44Å; I196-T539 HydrophobicContact CD1-CG2 4.17Å; I196-I542 HydrophobicContact CD1-CD1 3.32Å; I196-I542 HydrophobicContact CD1-CG1 3.82Å; I196-I542 HydrophobicContact CG1-CD1 4.44Å
197G96.9Very high96.1Very high5 Ų526.4 Ų26.45%0.05213%0.125CC..SBendtrans107.6156.6-173.600000113.7K201 D230G197-K201 PolarHBondContact O-N 3.34Å; G197-K201 VanDerWaalsContact O-N 3.11Å; G197-D230 VanDerWaalsContact CA-OD2 3.26Å; G197-D230 WeakPolarHBondContact CA-OD2 3.24Å
198R96.1Very high96.2Very high156 Ų15630.4 Ų30.459%0.58914%0.139SC*.Hα-helixtrans-69-44.7-174.4-172.8-175.8-178.2-178.31.8111.9S200 K201 M202 D230R198-S200 VanDerWaalsContact C-N 3.32Å; R198-K201 PolarHBondContact O-N 3.14Å; R198-M202 HydrophobicContact CG-CE 4.16Å; R198-M202 HydrophobicContact CG-SD 4.5Å; R198-M202 WeakPolarHBondContact O-CG 3.03Å; R198-M202 PolarHBondContact O-N 2.7Å; R198-D230 PolarHBondContact N-OD2 3.19Å
199C97.3Very high96.5Very high1 Ų134.8 Ų34.81%0.00716%0.159CC..Hα-helixtrans-64.4-39.6178.1-166.60000111.1N164 F165 K201 M202 T203 D230 L569N164-C199 PolarHBondContact OD1-SG 3.49Å; F165-C199 HydrophobicContact CZ-CB 4.35Å; C199-K201 PolarHBondContact O-N 2.85Å; C199-M202 HydrophobicContact CB-CE 4.34Å; C199-M202 PolarHBondContact O-N 3.4Å; C199-T203 VanDerWaalsContact O-CB 3.28Å; C199-T203 WeakPolarHBondContact O-CB 3.39Å; C199-T203 PolarHBondContact O-N 3.05Å; C199-T203 PolarHBondContact O-OG1 3.33Å; C199-D230 WeakPolarHBondContact CA-OD2 3.23Å; C199-D230 WeakPolarHBondContact CB-OD1 3.27Å; C199-D230 VanDerWaalsContact CB-OD2 3.26Å; C199-D230 WeakPolarHBondContact CB-OD2 3.42Å; C199-D230 PolarHBondContact N-OD2 2.93Å; C199-L569 HydrophobicContact CB-CD1 4.23Å
200S98Very high96.6Very high0 Ų033.6 Ų33.60%015%0.148CC..Hα-helixtrans-58-46.1173.6-72.80000111.7I196 R198 T203 Y204 L228 I229 D230 L569I196-S200 PolarHBondContact O-OG 2.76Å; R198-S200 VanDerWaalsContact C-N 3.32Å; S200-T203 PolarHBondContact O-N 3.21Å; S200-Y204 WeakPolarHBondContact O-CB 3.39Å; S200-Y204 PolarHBondContact O-N 3.47Å; S200-L228 WeakPolarHBondContact O-CD1 3.29Å; S200-L228 PolarHBondContact OG-O 2.93Å; S200-I229 PolarHBondContact OG-N 2.74Å; S200-D230 WeakPolarHBondContact CA-OD1 3.37Å; S200-D230 VanDerWaalsContact CB-OD1 3.28Å; S200-D230 WeakPolarHBondContact CB-OD1 3.31Å; S200-D230 PolarHBondContact N-OD1 2.97Å; S200-D230 PolarHBondContact N-OD2 3.3Å; S200-D230 PolarHBondContact OG-N 2.93Å; S200-D230 PolarHBondContact OG-OD1 2.79Å; S200-L569 VanDerWaalsContact CA-CD1 3.49Å
201K97.8Very high96.6Very high90 Ų9034.1 Ų34.139%0.39115%0.153SC..Hα-helixtrans-63.7-45.9176.4-172.7173.9179177.90112.5G197 R198 C199 T203 Y204 E205 F547G197-K201 PolarHBondContact O-N 3.34Å; G197-K201 VanDerWaalsContact O-N 3.11Å; R198-K201 PolarHBondContact O-N 3.14Å; C199-K201 PolarHBondContact O-N 2.85Å; K201-T203 VanDerWaalsContact C-N 3.33Å; K201-T203 PolarHBondContact O-N 3.25Å; K201-Y204 PolarHBondContact O-N 2.91Å; K201-E205 WeakPolarHBondContact CE-OE1 3.45Å; K201-E205 WeakPolarHBondContact O-CG 3.4Å; K201-E205 PolarHBondContact O-N 3.3Å; K201-F547 HydrophobicContact CB-CD1 4.3Å; K201-F547 HydrophobicContact CB-CE1 4.14Å; K201-F547 HydrophobicContact CG-CD1 4.49Å
202M98Very high96.6Very high36 Ų3640 Ų4018%0.17718%0.179CC..Hα-helixtrans-63.9-39177.6-65.4-178.2-60.700112Q170 V173 R198 C199 E205 S206Q170-M202 VanDerWaalsContact CD-SD 3.58Å; Q170-M202 HydrophobicContact CG-CE 3.91Å; Q170-M202 HydrophobicContact CG-SD 4.44Å; Q170-M202 PolarHBondContact OE1-SD 3.13Å; Q170-M202 VanDerWaalsContact OE1-SD 3.33Å; V173-M202 HydrophobicContact CG1-CB 3.82Å; V173-M202 HydrophobicContact CG2-CB 4.31Å; V173-M202 HydrophobicContact CG2-CE 4.12Å; R198-M202 HydrophobicContact CG-CE 4.16Å; R198-M202 HydrophobicContact CG-SD 4.5Å; R198-M202 WeakPolarHBondContact O-CG 3.03Å; R198-M202 PolarHBondContact O-N 2.7Å; C199-M202 HydrophobicContact CB-CE 4.34Å; C199-M202 PolarHBondContact O-N 3.4Å; M202-E205 PolarHBondContact O-N 2.92Å; M202-S206 WeakPolarHBondContact O-CB 3.49Å; M202-S206 PolarHBondContact O-N 2.62Å
203T98.4Very high96.3Very high0 Ų046.4 Ų46.40%021%0.209CC..Hα-helixtrans-63.4-44.6176.2-61.80000110.8A176 A177 C199 S200 K201 W207 L228 L569A176-T203 HydrophobicContact CB-CG2 3.7Å; A177-T203 HydrophobicContact CB-CG2 4.4Å; C199-T203 VanDerWaalsContact O-CB 3.28Å; C199-T203 WeakPolarHBondContact O-CB 3.39Å; C199-T203 PolarHBondContact O-N 3.05Å; C199-T203 PolarHBondContact O-OG1 3.33Å; S200-T203 PolarHBondContact O-N 3.21Å; K201-T203 VanDerWaalsContact C-N 3.33Å; K201-T203 PolarHBondContact O-N 3.25Å; T203-W207 VanDerWaalsContact O-CB 3.28Å; T203-W207 WeakPolarHBondContact O-CB 3.36Å; T203-W207 PolarHBondContact O-N 3.16Å; T203-L228 HydrophobicContact CG2-CD1 4.28Å; T203-L569 HydrophobicContact CG2-CD1 4.5Å
204Y98.2Very high95.5Very high25 Ų2547.7 Ų47.710%0.09822%0.224CC..Hα-helixtrans-60.9-46.7174.7169.4-96.4000112.3V193 S200 K201 W207 R208 F547 V549V193-Y204 HydrophobicContact CB-CD2 4.32Å; V193-Y204 HydrophobicContact CB-CE2 4.16Å; V193-Y204 HydrophobicContact CG1-CD2 3.84Å; V193-Y204 HydrophobicContact CG1-CE2 4.19Å; V193-Y204 HydrophobicContact CG2-CE2 4.48Å; S200-Y204 WeakPolarHBondContact O-CB 3.39Å; S200-Y204 PolarHBondContact O-N 3.47Å; K201-Y204 PolarHBondContact O-N 2.91Å; Y204-W207 AromaticContact CD2-CE3 3.82Å; Y204-W207 HydrophobicContact CD2-CE3 3.82Å; Y204-W207 AromaticContact CD2-CZ3 3.91Å; Y204-W207 HydrophobicContact CD2-CZ3 3.91Å; Y204-W207 AromaticContact CE2-CE3 3.94Å; Y204-W207 HydrophobicContact CE2-CE3 3.94Å; Y204-W207 AromaticContact CE2-CZ3 3.61Å; Y204-W207 HydrophobicContact CE2-CZ3 3.61Å; Y204-W207 PolarHBondContact O-N 3.16Å; Y204-R208 WeakPolarHBondContact O-CB 3.44Å; Y204-R208 PolarHBondContact O-N 2.66Å; Y204-F547 HydrophobicContact CD1-CD2 4.4Å; Y204-F547 HydrophobicContact CD1-CE2 4.06Å; Y204-F547 AromaticContact CD2-CE2 3.75Å; Y204-F547 HydrophobicContact CD2-CE2 3.75Å; Y204-F547 HydrophobicContact CD2-CZ 4.38Å; Y204-F547 HydrophobicContact CE2-CE2 4.39Å; Y204-F547 HydrophobicContact CG-CD2 4.33Å; Y204-F547 AromaticContact CG-CE2 3.57Å; Y204-F547 HydrophobicContact CG-CE2 3.57Å; Y204-F547 AromaticContact CG-CZ 3.92Å; Y204-F547 HydrophobicContact CG-CZ 3.92Å; Y204-V549 HydrophobicContact CE1-CG2 4Å; Y204-V549 HydrophobicContact CE2-CB 4.29Å; Y204-V549 HydrophobicContact CE2-CG2 4.06Å; Y204-V549 VanDerWaalsContact CZ-CG2 3.5Å; Y204-V549 WeakPolarHBondContact OH-CG1 3.41Å; Y204-V549 WeakPolarHBondContact OH-CG2 3.47Å
205E97.8Very high94.3Very high71 Ų7155.7 Ų55.733%0.33226%0.262SS..Hα-helixtrans-62.1-46.4179.4-73.9171.3176.600111.3K201 M202 W207 R208 E209K201-E205 WeakPolarHBondContact CE-OE1 3.45Å; K201-E205 WeakPolarHBondContact O-CG 3.4Å; K201-E205 PolarHBondContact O-N 3.3Å; M202-E205 PolarHBondContact O-N 2.92Å; E205-W207 VanDerWaalsContact C-N 3.34Å; E205-W207 PolarHBondContact O-N 3.25Å; E205-R208 PolarHBondContact O-N 3.46Å; E205-E209 WeakPolarHBondContact O-CG 3.42Å; E205-E209 PolarHBondContact O-N 3.29Å; E205-E209 VanDerWaalsContact O-N 3.08Å
206S97.6Very high92.9Very high25 Ų2563.4 Ų63.418%0.17530%0.298CS..Hα-helixtrans-63.8-37.9176.2-176.50000112.4M202 Q210M202-S206 WeakPolarHBondContact O-CB 3.49Å; M202-S206 PolarHBondContact O-N 2.62Å; S206-Q210 WeakPolarHBondContact O-CG 3.28Å; S206-Q210 PolarHBondContact O-N 3.04Å
207W97Very high91.6Very high19 Ų1970.4 Ų70.47%0.07233%0.328CS..Hα-helixtrans-66.6-43.6175.5164.975.4000111.9A177 L180 H181 H184 F190 V193 T203 Y204 E205 E209 Q210 V211A177-W207 HydrophobicContact CB-CB 4.01Å; L180-W207 HydrophobicContact CB-CG 4.2Å; L180-W207 HydrophobicContact CD2-CB 4.03Å; L180-W207 HydrophobicContact CD2-CD2 3.74Å; L180-W207 HydrophobicContact CD2-CE3 4.27Å; L180-W207 HydrophobicContact CD2-CG 3.62Å; L180-W207 HydrophobicContact CG-CD2 4.18Å; L180-W207 HydrophobicContact CG-CG 3.91Å; H181-W207 VanDerWaalsContact N-CD1 3.34Å; H184-W207 HydrophobicContact CB-CZ2 4.48Å; H184-W207 AromaticContact ND1-CZ2 3.45Å; H184-W207 WeakPolarHBondContact ND1-CZ2 3.35Å; F190-W207 AromaticContact CD2-CH2 3.72Å; F190-W207 HydrophobicContact CD2-CH2 3.72Å; F190-W207 AromaticContact CD2-CZ2 3.35Å; F190-W207 HydrophobicContact CD2-CZ2 3.35Å; F190-W207 AromaticContact CE2-CE2 3.94Å; F190-W207 HydrophobicContact CE2-CH2 4.34Å; F190-W207 AromaticContact CE2-CZ2 3.56Å; F190-W207 HydrophobicContact CE2-CZ2 3.56Å; V193-W207 HydrophobicContact CG2-CH2 4.13Å; V193-W207 HydrophobicContact CG2-CZ3 4.17Å; T203-W207 VanDerWaalsContact O-CB 3.28Å; T203-W207 WeakPolarHBondContact O-CB 3.36Å; T203-W207 PolarHBondContact O-N 3.16Å; Y204-W207 AromaticContact CD2-CE3 3.82Å; Y204-W207 HydrophobicContact CD2-CE3 3.82Å; Y204-W207 AromaticContact CD2-CZ3 3.91Å; Y204-W207 HydrophobicContact CD2-CZ3 3.91Å; Y204-W207 AromaticContact CE2-CE3 3.94Å; Y204-W207 HydrophobicContact CE2-CE3 3.94Å; Y204-W207 AromaticContact CE2-CZ3 3.61Å; Y204-W207 HydrophobicContact CE2-CZ3 3.61Å; Y204-W207 PolarHBondContact O-N 3.16Å; E205-W207 VanDerWaalsContact C-N 3.34Å; E205-W207 PolarHBondContact O-N 3.25Å; W207-E209 VanDerWaalsContact C-N 3.32Å; W207-E209 PolarHBondContact O-N 3.45Å; W207-Q210 WeakPolarHBondContact O-CB 3.36Å; W207-Q210 PolarHBondContact O-N 3.38Å; W207-Q210 VanDerWaalsContact O-N 3.16Å; W207-V211 HydrophobicContact CD2-CG2 4.33Å; W207-V211 HydrophobicContact CZ2-CG2 4.05Å; W207-V211 WeakPolarHBondContact O-CG2 3.01Å; W207-V211 PolarHBondContact O-N 3.47Å
208R95.8Very high90.3Very high90 Ų9075.6 Ų75.634%0.3437%0.37SS..Hα-helixtrans-57.6-47177.6-175.2-167.970-140.6-10.1110.8Y204 E205 Q210 V211 E212Y204-R208 WeakPolarHBondContact O-CB 3.44Å; Y204-R208 PolarHBondContact O-N 2.66Å; E205-R208 PolarHBondContact O-N 3.46Å; R208-Q210 VanDerWaalsContact C-N 3.32Å; R208-Q210 PolarHBondContact O-N 3Å; R208-V211 PolarHBondContact O-N 3.05Å; R208-V211 VanDerWaalsContact O-N 3.15Å; R208-E212 WeakPolarHBondContact CD-OE1 3.38Å; R208-E212 HydrophobicContact CG-CG 4.46Å; R208-E212 WeakPolarHBondContact CG-OE1 3.49Å; R208-E212 IonicContact NE-OE1 3.39Å; R208-E212 WeakPolarHBondContact O-CG 3.41Å; R208-E212 PolarHBondContact O-N 3.45Å
209E95.8Very high89.5Confident95 Ų9573.6 Ų73.644%0.44436%0.363SS..Hα-helixtrans-59.1-41.7177-72172.9-174.800112.2E205 W207 V211 E212 Q213E205-E209 WeakPolarHBondContact O-CG 3.42Å; E205-E209 PolarHBondContact O-N 3.29Å; E205-E209 VanDerWaalsContact O-N 3.08Å; W207-E209 VanDerWaalsContact C-N 3.32Å; W207-E209 PolarHBondContact O-N 3.45Å; E209-V211 VanDerWaalsContact C-N 3.35Å; E209-V211 PolarHBondContact O-N 2.93Å; E209-E212 PolarHBondContact O-N 3.23Å; E209-Q213 WeakPolarHBondContact O-CB 3.43Å; E209-Q213 VanDerWaalsContact O-CG 3.27Å; E209-Q213 WeakPolarHBondContact O-CG 3.44Å; E209-Q213 PolarHBondContact O-N 3.01Å; E209-Q213 VanDerWaalsContact O-N 3.08Å
210Q94.2Very high88.9Confident33 Ų3381.9 Ų81.915%0.15440%0.401CS..Hα-helixtrans-64.3-37.8175.9-69.7177.740.100112.5S178 S206 W207 R208 G214S178-Q210 PolarHBondContact OG-OE1 3.02Å; S206-Q210 WeakPolarHBondContact O-CG 3.28Å; S206-Q210 PolarHBondContact O-N 3.04Å; W207-Q210 WeakPolarHBondContact O-CB 3.36Å; W207-Q210 PolarHBondContact O-N 3.38Å; W207-Q210 VanDerWaalsContact O-N 3.16Å; R208-Q210 VanDerWaalsContact C-N 3.32Å; R208-Q210 PolarHBondContact O-N 3Å; Q210-G214 PolarHBondContact O-N 2.89Å; Q210-G214 VanDerWaalsContact O-N 3.13Å
211V92.2Very high88.5Confident22 Ų2283.4 Ų83.413%0.13341%0.414CS..Hα-helixtrans-70.3-38.2176.8173.40000111.8W207 R208 E209 Q213 G214W207-V211 HydrophobicContact CD2-CG2 4.33Å; W207-V211 HydrophobicContact CZ2-CG2 4.05Å; W207-V211 WeakPolarHBondContact O-CG2 3.01Å; W207-V211 PolarHBondContact O-N 3.47Å; R208-V211 PolarHBondContact O-N 3.05Å; R208-V211 VanDerWaalsContact O-N 3.15Å; E209-V211 VanDerWaalsContact C-N 3.35Å; E209-V211 PolarHBondContact O-N 2.93Å; V211-Q213 VanDerWaalsContact C-N 3.33Å; V211-G214 PolarHBondContact O-N 3.26Å
212E90.7Very high88.2Confident130 Ų13083.2 Ų83.261%0.60741%0.414SS*.Hα-helixtrans-67.7-32.3177.5-73.9171-179.400112.6R208 E209R208-E212 WeakPolarHBondContact CD-OE1 3.38Å; R208-E212 HydrophobicContact CG-CG 4.46Å; R208-E212 WeakPolarHBondContact CG-OE1 3.49Å; R208-E212 IonicContact NE-OE1 3.39Å; R208-E212 WeakPolarHBondContact O-CG 3.41Å; R208-E212 PolarHBondContact O-N 3.45Å; E209-E212 PolarHBondContact O-N 3.23Å
213Q88.9Confident88Confident164 Ų16481.6 Ų81.677%0.76641%0.406SS*.Hα-helixtrans-84.1-18.8177.6-6817213.900113.5E209 V211E209-Q213 WeakPolarHBondContact O-CB 3.43Å; E209-Q213 VanDerWaalsContact O-CG 3.27Å; E209-Q213 WeakPolarHBondContact O-CG 3.44Å; E209-Q213 PolarHBondContact O-N 3.01Å; E209-Q213 VanDerWaalsContact O-N 3.08Å; V211-Q213 VanDerWaalsContact C-N 3.33Å
214G79.9Confident87.6Confident33 Ų3381.6 Ų81.634%0.3441%0.406SS..SBendtrans-86159.7-175.800000114.3Q210 V211 Q216Q210-G214 PolarHBondContact O-N 2.89Å; Q210-G214 VanDerWaalsContact O-N 3.13Å; V211-G214 PolarHBondContact O-N 3.26Å; G214-Q216 PolarHBondContact O-N 3.42Å
215E74.1Confident87.5Confident173 Ų17381 Ų8181%0.80840%0.404SS*.  trans-69.6117.5170.3-69.8-176.1170.100110.8K217E215-K217 PolarHBondContact O-N 3.4Å; E215-K217 VanDerWaalsContact O-N 3.13Å
216Q67.4Low87.5Confident162 Ų16277.6 Ų77.676%0.75739%0.389SS*.  trans-77.2100.8175-68-173.10.100110.6G214G214-Q216 PolarHBondContact O-N 3.42Å
217K70.8Confident87.5Confident148 Ų14876.5 Ų76.564%0.64338%0.381SS*.  trans-80129.6167.8-66.2-176-177.5176.50109.2E215 R219E215-K217 PolarHBondContact O-N 3.4Å; E215-K217 VanDerWaalsContact O-N 3.13Å; K217-R219 PolarHBondContact O-N 2.6Å
218A69.5Low87.6Confident114 Ų11475.6 Ų75.694%0.94238%0.377SS*.  trans-65.896.1172.700000109.7
219R79.8Confident87.8Confident115 Ų11571.4 Ų71.443%0.43436%0.362SS..  trans-117146.3172-72.4-169.9174.5-171.54.2109.7S185 L186 P189 K217S185-R219 VanDerWaalsContact O-CZ 3.28Å; S185-R219 PolarHBondContact O-NH1 3.06Å; L186-R219 VanDerWaalsContact CA-NH1 3.31Å; L186-R219 PolarHBondContact O-NH1 3.27Å; P189-R219 WeakPolarHBondContact CD-O 3.38Å; K217-R219 PolarHBondContact O-N 2.6Å
220H84.9Confident87.9Confident175 Ų17567 Ų6781%0.8134%0.341SS*.  trans-71.7140170.9-67.7-65.6000109.9E222H220-E222 PolarHBondContact O-N 3.42Å
221A89.1Confident88Confident32 Ų3265.4 Ų65.426%0.26433%0.334SS..  trans-70.9122.8175.800000109.9P189 A560P189-A221 WeakPolarHBondContact O-CB 3.46Å; A221-A560 WeakPolarHBondContact O-CB 2.94Å
222E92.5Very high88.2Confident86 Ų8667.3 Ų67.340%0.40234%0.343SS..SBendtrans-96-28168.6-64.1176.7-126.300110.8P13 F187 H220 A560 I563P13-E222 VanDerWaalsContact CB-OE2 3.32Å; P13-E222 WeakPolarHBondContact CB-OE2 3.46Å; F187-E222 HydrophobicContact CB-CB 4.25Å; F187-E222 PolarHBondContact O-N 3.17Å; H220-E222 PolarHBondContact O-N 3.42Å; E222-A560 WeakPolarHBondContact O-CA 3.27Å; E222-A560 WeakPolarHBondContact O-CB 3.26Å; E222-I563 WeakPolarHBondContact O-CD1 3.09Å
223I93Very high88.4Confident2 Ų261.5 Ų61.51%0.0132%0.316CS..  trans-114.7116.3178.1-60167.8000109P13 F187 F190 V226 I563 L565 I592P13-I223 HydrophobicContact CG-CD1 4.37Å; P13-I223 HydrophobicContact CG-CG1 4.35Å; F187-I223 HydrophobicContact CB-CD1 4.01Å; F187-I223 HydrophobicContact CB-CG1 4.37Å; F187-I223 HydrophobicContact CD2-CD1 4.03Å; F187-I223 HydrophobicContact CG-CD1 4.21Å; F190-I223 HydrophobicContact CD1-CB 4.42Å; F190-I223 HydrophobicContact CD1-CG2 4.3Å; F190-I223 HydrophobicContact CE1-CB 4.37Å; F190-I223 HydrophobicContact CE1-CG2 4.32Å; I223-V226 HydrophobicContact CG2-CG2 4.49Å; I223-I563 HydrophobicContact CG1-CG2 4.12Å; I223-L565 HydrophobicContact CD1-CD1 4.18Å; I223-L565 HydrophobicContact CG2-CB 3.74Å; I223-I592 HydrophobicContact CD1-CD1 4Å; I223-I592 HydrophobicContact CG1-CD1 4.2Å
224G90.9Very high88.8Confident0 Ų053.8 Ų53.80%028%0.28CS..  trans-87.5-56.3-174.500000113.6S191 K192 A560 I563S191-G224 WeakPolarHBondContact CA-O 3.39Å; S191-G224 WeakPolarHBondContact CB-O 3.36Å; S191-G224 PolarHBondContact N-O 2.85Å; K192-G224 PolarHBondContact N-O 3.02Å; K192-G224 VanDerWaalsContact N-O 3.08Å; G224-A560 VanDerWaalsContact CA-O 3.28Å; G224-A560 WeakPolarHBondContact CA-O 3.3Å; G224-A560 PolarHBondContact N-O 2.89Å; G224-I563 PolarHBondContact N-O 3.32Å
225N94.9Very high89.6Confident11 Ų1153.2 Ų53.26%0.05927%0.269CS..EExtended strand (participates in β ladder)trans-106.6135.3-173.2-67.2-74.9000111K192 Y194 Q561 I563 I564 L565K192-N225 WeakPolarHBondContact O-CA 3.43Å; Y194-N225 HydrophobicContact CE2-CB 4.49Å; N225-Q561 PolarHBondContact ND2-O 2.97Å; N225-I563 PolarHBondContact N-O 2.87Å; N225-I564 HydrophobicContact CB-CG1 4.26Å; N225-I564 HydrophobicContact CB-CG2 4.24Å; N225-I564 CarbonylContact O-C 3.54Å; N225-I564 WeakPolarHBondContact O-CA 3.36Å; N225-L565 PolarHBondContact O-N 3.26Å
226V98.1Very high90.8Very high0 Ų045.6 Ų45.60%023%0.233CC..EExtended strand (participates in β ladder)trans-121.5135.7175.9177.90000109.8L180 F190 K192 V193 Y194 I223 L228 L565L180-V226 HydrophobicContact CD1-CG1 4.16Å; F190-V226 HydrophobicContact CB-CG2 3.91Å; F190-V226 HydrophobicContact CD1-CG2 3.52Å; F190-V226 HydrophobicContact CD2-CG2 3.66Å; F190-V226 HydrophobicContact CE1-CG2 3.91Å; F190-V226 HydrophobicContact CE2-CG2 4.05Å; F190-V226 HydrophobicContact CG-CG2 3.39Å; F190-V226 HydrophobicContact CZ-CG2 4.16Å; K192-V226 PolarHBondContact O-N 3.28Å; V193-V226 CarbonylContact C-O 3.58Å; V193-V226 WeakPolarHBondContact CA-O 3.49Å; V193-V226 HydrophobicContact CG1-CB 4.19Å; V193-V226 HydrophobicContact CG1-CG1 4.18Å; V193-V226 HydrophobicContact CG2-CB 4.28Å; Y194-V226 PolarHBondContact N-O 3.47Å; I223-V226 HydrophobicContact CG2-CG2 4.49Å; V226-L228 HydrophobicContact CG1-CD2 3.92Å; V226-L565 CarbonylContact C-O 3.5Å; V226-L565 VanDerWaalsContact CA-O 3.27Å; V226-L565 WeakPolarHBondContact CA-O 3.33Å; V226-L565 HydrophobicContact CG1-CD2 3.81Å; V226-L565 HydrophobicContact CG2-CB 4.25Å; V226-L565 HydrophobicContact CG2-CD2 4.47Å
227F98.8Very high92.2Very high2 Ų237.9 Ų37.91%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-116.1128.7170-75.3-96.7000109.8Y194 I229 I523 V526 L527 I564 L565 V566 M567Y194-F227 HydrophobicContact CD2-CD1 4.31Å; Y194-F227 HydrophobicContact CD2-CD2 4.22Å; Y194-F227 AromaticContact CD2-CE1 3.82Å; Y194-F227 HydrophobicContact CD2-CE1 3.82Å; Y194-F227 AromaticContact CD2-CE2 3.7Å; Y194-F227 HydrophobicContact CD2-CE2 3.7Å; Y194-F227 HydrophobicContact CD2-CG 4.49Å; Y194-F227 AromaticContact CD2-CZ 3.48Å; Y194-F227 HydrophobicContact CD2-CZ 3.48Å; Y194-F227 VanDerWaalsContact CD2-CZ 3.48Å; Y194-F227 HydrophobicContact CE2-CE2 4.19Å; Y194-F227 AromaticContact CE2-CZ 3.99Å; Y194-F227 HydrophobicContact CE2-CZ 3.99Å; Y194-F227 HydrophobicContact CG-CD1 4.34Å; Y194-F227 AromaticContact CG-CE1 3.89Å; Y194-F227 HydrophobicContact CG-CE1 3.89Å; Y194-F227 HydrophobicContact CG-CZ 4.01Å; Y194-F227 CarbonylContact O-C 3.58Å; Y194-F227 WeakPolarHBondContact O-CA 3.45Å; F227-I229 HydrophobicContact CB-CD1 4.48Å; F227-I229 HydrophobicContact CB-CG1 4.43Å; F227-I523 HydrophobicContact CD1-CG1 3.97Å; F227-I523 HydrophobicContact CD2-CG2 4.35Å; F227-I523 HydrophobicContact CE1-CB 4.49Å; F227-I523 HydrophobicContact CE1-CG1 4.34Å; F227-I523 HydrophobicContact CE1-CG2 4.37Å; F227-I523 HydrophobicContact CE2-CG2 4.16Å; F227-I523 HydrophobicContact CG-CG1 4.22Å; F227-I523 HydrophobicContact CZ-CG2 4.17Å; F227-V526 HydrophobicContact CE1-CB 3.81Å; F227-V526 HydrophobicContact CE1-CG1 3.62Å; F227-V526 HydrophobicContact CE1-CG2 4.48Å; F227-V526 HydrophobicContact CZ-CB 4.15Å; F227-V526 HydrophobicContact CZ-CG1 3.84Å; F227-L527 HydrophobicContact CE2-CD2 3.8Å; F227-L527 HydrophobicContact CE2-CG 4.05Å; F227-L527 HydrophobicContact CZ-CD2 3.93Å; F227-L527 HydrophobicContact CZ-CG 3.86Å; F227-I564 HydrophobicContact CD2-CG2 3.65Å; F227-I564 HydrophobicContact CE2-CG2 3.82Å; F227-L565 PolarHBondContact N-O 3.36Å; F227-V566 HydrophobicContact CB-CB 4.47Å; F227-V566 HydrophobicContact CB-CG1 4.18Å; F227-V566 HydrophobicContact CB-CG2 4.28Å; F227-V566 CarbonylContact O-C 3.53Å; F227-M567 PolarHBondContact O-N 3.47Å
228L98.8Very high93.5Very high0 Ų030.9 Ų30.90%017%0.167CC..EExtended strand (participates in β ladder)trans-107.3121.8167-51.8-172.2000108.7L180 Y194 G195 I196 S200 T203 V226 F547 M567L180-L228 HydrophobicContact CD2-CD1 4.38Å; L180-L228 HydrophobicContact CD2-CD2 4.19Å; Y194-L228 PolarHBondContact O-N 3.19Å; G195-L228 CarbonylContact C-O 3.49Å; G195-L228 WeakPolarHBondContact CA-O 3.45Å; I196-L228 PolarHBondContact N-O 3.27Å; S200-L228 WeakPolarHBondContact O-CD1 3.29Å; S200-L228 PolarHBondContact OG-O 2.93Å; T203-L228 HydrophobicContact CG2-CD1 4.28Å; V226-L228 HydrophobicContact CG1-CD2 3.92Å; L228-F547 HydrophobicContact CD1-CZ 4.2Å; L228-M567 HydrophobicContact CD2-CB 3.67Å; L228-M567 HydrophobicContact CD2-CG 4.39Å; L228-M567 HydrophobicContact CD2-SD 4.21Å
229I98.6Very high94.9Very high3 Ų325.5 Ų25.52%0.01512%0.122CC..EExtended strand (participates in β ladder)trans-131.1122.1-175.4-56.4-177.9000109.8I196 S200 F227 I523 V566 M567 F568 L569I196-I229 HydrophobicContact CG2-CG1 4.22Å; I196-I229 HydrophobicContact CG2-CG2 4.23Å; S200-I229 PolarHBondContact OG-N 2.74Å; F227-I229 HydrophobicContact CB-CD1 4.48Å; F227-I229 HydrophobicContact CB-CG1 4.43Å; I229-I523 HydrophobicContact CD1-CD1 3.52Å; I229-I523 HydrophobicContact CD1-CG1 3.56Å; I229-V566 HydrophobicContact CD1-CG1 4.19Å; I229-M567 PolarHBondContact N-O 3.29Å; I229-F568 HydrophobicContact CB-CD1 4.43Å; I229-F568 HydrophobicContact CG2-CD1 4.49Å; I229-F568 WeakPolarHBondContact O-CA 3.24Å; I229-L569 PolarHBondContact O-N 2.95Å
230D98.6Very high95.7Very high1 Ų120.1 Ų20.11%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-75.6144172.3-70.15.1000111.6F165 I196 G197 R198 C199 S200 D232 V233 L569F165-D230 HydrophobicContact CE1-CB 3.88Å; F165-D230 HydrophobicContact CZ-CB 3.9Å; I196-D230 PolarHBondContact O-N 2.99Å; G197-D230 VanDerWaalsContact CA-OD2 3.26Å; G197-D230 WeakPolarHBondContact CA-OD2 3.24Å; R198-D230 PolarHBondContact N-OD2 3.19Å; C199-D230 WeakPolarHBondContact CA-OD2 3.23Å; C199-D230 WeakPolarHBondContact CB-OD1 3.27Å; C199-D230 VanDerWaalsContact CB-OD2 3.26Å; C199-D230 WeakPolarHBondContact CB-OD2 3.42Å; C199-D230 PolarHBondContact N-OD2 2.93Å; S200-D230 WeakPolarHBondContact CA-OD1 3.37Å; S200-D230 VanDerWaalsContact CB-OD1 3.28Å; S200-D230 WeakPolarHBondContact CB-OD1 3.31Å; S200-D230 PolarHBondContact N-OD1 2.97Å; S200-D230 PolarHBondContact N-OD2 3.3Å; S200-D230 PolarHBondContact OG-N 2.93Å; S200-D230 PolarHBondContact OG-OD1 2.79Å; D230-D232 VanDerWaalsContact C-N 3.27Å; D230-D232 WeakPolarHBondContact CB-OD1 3.44Å; D230-D232 PolarHBondContact O-N 3.19Å; D230-V233 HydrophobicContact CB-CG2 4.15Å; D230-V233 VanDerWaalsContact O-CB 3.3Å; D230-V233 WeakPolarHBondContact O-CB 3.48Å; D230-V233 PolarHBondContact O-N 3.27Å; D230-L569 CarbonylContact C-O 3.59Å
231R97.2Very high96.3Very high1 Ų112 Ų120%0.0047%0.065CC..G310 helixtrans-64.1-32.7180-174.967.7-78.7165.5-5.7112.9F161 F165 V233 D234 F235 L569 G571 E576F161-R231 HydrophobicContact CD2-CB 4.37Å; F161-R231 HydrophobicContact CD2-CG 4.28Å; F161-R231 HydrophobicContact CE2-CB 4.42Å; F161-R231 HydrophobicContact CE2-CG 4.15Å; F165-R231 HydrophobicContact CE2-CB 4.48Å; R231-V233 PolarHBondContact O-N 3.37Å; R231-D234 PolarHBondContact NE-O 2.82Å; R231-D234 PolarHBondContact NH2-O 3.03Å; R231-D234 IonicContact NH2-OD2 3.66Å; R231-D234 CarbonylContact O-C 3.3Å; R231-D234 PolarHBondContact O-N 2.89Å; R231-F235 HydrophobicContact CG-CD1 4.4Å; R231-F235 HydrophobicContact CG-CE1 4.26Å; R231-L569 WeakPolarHBondContact CB-O 3.32Å; R231-L569 PolarHBondContact N-O 3.45Å; R231-G571 WeakPolarHBondContact CD-O 3.49Å; R231-G571 PolarHBondContact NH1-O 3.41Å; R231-E576 IonicContact CZ-OE1 3.76Å; R231-E576 VanDerWaalsContact CZ-OE1 3.3Å; R231-E576 IonicContact CZ-OE2 2.97Å; R231-E576 VanDerWaalsContact NH1-CD 3.27Å; R231-E576 IonicContact NH1-OE1 3.25Å; R231-E576 PolarHBondContact NH1-OE1 3.05Å; R231-E576 IonicContact NH1-OE2 3.64Å; R231-E576 PolarHBondContact NH1-OE2 2.78Å; R231-E576 IonicContact NH2-OE1 3.46Å; R231-E576 PolarHBondContact NH2-OE1 3.43Å
232D95.5Very high96.6Very high61 Ų6110.7 Ų10.733%0.3265%0.054SC..G310 helixtrans-71.8-6.9-179.968.9-13.3000114.1F165 D230 D234 F235F165-D232 HydrophobicContact CD1-CB 3.81Å; F165-D232 WeakPolarHBondContact CD1-OD2 3.37Å; F165-D232 HydrophobicContact CE1-CB 4.01Å; F165-D232 VanDerWaalsContact CE1-CG 3.44Å; F165-D232 WeakPolarHBondContact CE1-OD1 3.38Å; D230-D232 VanDerWaalsContact C-N 3.27Å; D230-D232 WeakPolarHBondContact CB-OD1 3.44Å; D230-D232 PolarHBondContact O-N 3.19Å; D232-D234 VanDerWaalsContact C-N 3.3Å; D232-F235 VanDerWaalsContact CA-CZ 3.44Å; D232-F235 HydrophobicContact CB-CE1 4.2Å; D232-F235 HydrophobicContact CB-CE2 3.63Å; D232-F235 HydrophobicContact CB-CZ 3.41Å; D232-F235 VanDerWaalsContact CB-CZ 3.41Å
233V96.1Very high96.7Very high8 Ų86.8 Ų6.85%0.0484%0.036CC..G310 helixtrans-69.9-29.8166.61740000111.4I196 D230 R231 L518 I522 I542I196-V233 HydrophobicContact CD1-CG1 4.48Å; I196-V233 HydrophobicContact CG1-CG1 4.48Å; I196-V233 HydrophobicContact CG1-CG2 4.11Å; I196-V233 HydrophobicContact CG2-CG1 4.31Å; I196-V233 HydrophobicContact CG2-CG2 4.26Å; D230-V233 HydrophobicContact CB-CG2 4.15Å; D230-V233 VanDerWaalsContact O-CB 3.3Å; D230-V233 WeakPolarHBondContact O-CB 3.48Å; D230-V233 PolarHBondContact O-N 3.27Å; R231-V233 PolarHBondContact O-N 3.37Å; V233-L518 WeakPolarHBondContact O-CD2 3.4Å; V233-I522 HydrophobicContact CG1-CD1 4.07Å; V233-I542 HydrophobicContact CG1-CB 4.23Å; V233-I542 HydrophobicContact CG1-CD1 3.89Å; V233-I542 HydrophobicContact CG1-CG1 4.33Å
234D97.4Very high97Very high2 Ų26.7 Ų6.71%0.0114%0.035CC..  trans-148.785.8-177.7178.412.5000111.2R231 D232 I236 T237 P238 Y515 L518 S519R231-D234 PolarHBondContact NE-O 2.82Å; R231-D234 PolarHBondContact NH2-O 3.03Å; R231-D234 IonicContact NH2-OD2 3.66Å; R231-D234 CarbonylContact O-C 3.3Å; R231-D234 PolarHBondContact O-N 2.89Å; D232-D234 VanDerWaalsContact C-N 3.3Å; D234-I236 PolarHBondContact OD1-N 2.85Å; D234-T237 PolarHBondContact OD1-N 3.45Å; D234-T237 PolarHBondContact OD1-OG1 3.38Å; D234-T237 VanDerWaalsContact OD1-OG1 3.12Å; D234-T237 VanDerWaalsContact OD2-CB 3.26Å; D234-T237 WeakPolarHBondContact OD2-CB 3.41Å; D234-T237 PolarHBondContact OD2-OG1 2.92Å; D234-P238 VanDerWaalsContact O-CD 3.29Å; D234-P238 WeakPolarHBondContact O-CD 3.37Å; D234-Y515 PolarHBondContact OD1-OH 2.97Å; D234-L518 HydrophobicContact CB-CB 4.16Å; D234-L518 HydrophobicContact CB-CD2 4.14Å; D234-L518 HydrophobicContact CB-CG 4.27Å; D234-L518 PolarHBondContact OD2-N 2.83Å; D234-S519 PolarHBondContact OD2-N 3.01Å; D234-S519 PolarHBondContact OD2-OG 3.3Å
235F96.8Very high97.3Very high21 Ų216.7 Ų6.79%0.0924%0.035CC..SBendtrans-79.6-17.6170.5-73.5-51.6000114F161 R231 D232 P238 L239 L440F161-F235 AromaticContact CE2-CE1 3.69Å; F161-F235 HydrophobicContact CE2-CE1 3.69Å; F161-F235 HydrophobicContact CE2-CZ 4.31Å; F161-F235 AromaticContact CZ-CE1 3.79Å; F161-F235 HydrophobicContact CZ-CE1 3.79Å; F161-F235 HydrophobicContact CZ-CZ 4.37Å; R231-F235 HydrophobicContact CG-CD1 4.4Å; R231-F235 HydrophobicContact CG-CE1 4.26Å; D232-F235 VanDerWaalsContact CA-CZ 3.44Å; D232-F235 HydrophobicContact CB-CE1 4.2Å; D232-F235 HydrophobicContact CB-CE2 3.63Å; D232-F235 HydrophobicContact CB-CZ 3.41Å; D232-F235 VanDerWaalsContact CB-CZ 3.41Å; F235-P238 VanDerWaalsContact O-CD 3.32Å; F235-P238 WeakPolarHBondContact O-CD 3.42Å; F235-P238 WeakPolarHBondContact O-CG 3.47Å; F235-L239 WeakPolarHBondContact O-CD1 3.31Å; F235-L239 WeakPolarHBondContact O-CG 3.46Å; F235-L239 PolarHBondContact O-N 3.19Å; F235-L440 HydrophobicContact CB-CD2 3.51Å; F235-L440 HydrophobicContact CD1-CD2 3.98Å; F235-L440 HydrophobicContact CD2-CD2 3.68Å; F235-L440 HydrophobicContact CD2-CG 4.21Å; F235-L440 HydrophobicContact CE2-CD2 4.34Å; F235-L440 HydrophobicContact CE2-CG 4.41Å; F235-L440 HydrophobicContact CG-CD2 3.47Å; F235-L440 VanDerWaalsContact CG-CD2 3.47Å; F235-L440 HydrophobicContact CG-CG 4.34Å
236I97.4Very high97.5Very high13 Ų136.4 Ų6.47%0.0673%0.034CC..Hα-helixtrans-69.8-47.9-173-66.2174.7000109.6D234 L239 C240 L369 L400 V403 F482 Y515D234-I236 PolarHBondContact OD1-N 2.85Å; I236-L239 WeakPolarHBondContact O-CA 3.42Å; I236-L239 WeakPolarHBondContact O-CB 3.37Å; I236-L239 PolarHBondContact O-N 2.9Å; I236-C240 PolarHBondContact O-N 3.39Å; I236-C240 VanDerWaalsContact O-N 3.08Å; I236-C240 PolarHBondContact O-SG 2.82Å; I236-C240 VanDerWaalsContact O-SG 3.34Å; I236-L369 HydrophobicContact CG2-CD2 3.58Å; I236-L400 HydrophobicContact CG2-CD1 4.04Å; I236-V403 HydrophobicContact CD1-CG2 4.23Å; I236-V403 HydrophobicContact CG1-CB 4.34Å; I236-V403 HydrophobicContact CG1-CG2 3.65Å; I236-F482 HydrophobicContact CD1-CB 3.97Å; I236-F482 HydrophobicContact CD1-CD1 4.24Å; I236-F482 HydrophobicContact CD1-CD2 3.04Å; I236-F482 HydrophobicContact CD1-CE2 3.42Å; I236-F482 VanDerWaalsContact CD1-CE2 3.42Å; I236-F482 HydrophobicContact CD1-CG 3.48Å; I236-F482 VanDerWaalsContact CD1-CG 3.48Å; I236-F482 HydrophobicContact CD1-CZ 4.16Å; I236-F482 HydrophobicContact CG2-CE2 4.33Å; I236-Y515 HydrophobicContact CG2-CE1 3.97Å; I236-Y515 HydrophobicContact CG2-CE2 4.41Å
237T98.3Very high97.5Very high1 Ų16.4 Ų6.41%0.0063%0.034CC..Hα-helixtrans-53.1-51.1-179.9-62.20000113.9D234 L239 C240 F511 Y515 P517 E576D234-T237 PolarHBondContact OD1-N 3.45Å; D234-T237 PolarHBondContact OD1-OG1 3.38Å; D234-T237 VanDerWaalsContact OD1-OG1 3.12Å; D234-T237 VanDerWaalsContact OD2-CB 3.26Å; D234-T237 WeakPolarHBondContact OD2-CB 3.41Å; D234-T237 PolarHBondContact OD2-OG1 2.92Å; T237-L239 VanDerWaalsContact C-N 3.26Å; T237-L239 PolarHBondContact O-N 2.86Å; T237-C240 PolarHBondContact O-N 3.06Å; T237-F511 HydrophobicContact CG2-CE2 4.11Å; T237-F511 HydrophobicContact CG2-CZ 4.05Å; T237-Y515 WeakPolarHBondContact OG1-CE1 3.29Å; T237-Y515 PolarHBondContact OG1-OH 3.01Å; T237-P517 HydrophobicContact CG2-CB 3.85Å; T237-P517 HydrophobicContact CG2-CG 4.27Å; T237-P517 WeakPolarHBondContact OG1-CA 3.41Å; T237-E576 HydrophobicContact CG2-CG 3.48Å; T237-E576 VanDerWaalsContact CG2-CG 3.48Å
238P97.8Very high97.4Very high1 Ų16.4 Ų6.41%0.0063%0.034CC..Hα-helixtrans-71.5-16176.928.8-37.1000114.1D234 F235 T573 T599 S601 L604D234-P238 VanDerWaalsContact O-CD 3.29Å; D234-P238 WeakPolarHBondContact O-CD 3.37Å; F235-P238 VanDerWaalsContact O-CD 3.32Å; F235-P238 WeakPolarHBondContact O-CD 3.42Å; F235-P238 WeakPolarHBondContact O-CG 3.47Å; P238-T573 HydrophobicContact CB-CG2 3.87Å; P238-T599 HydrophobicContact CB-CG2 4.48Å; P238-S601 WeakPolarHBondContact O-CA 3.19Å; P238-S601 WeakPolarHBondContact O-CB 3.46Å; P238-S601 PolarHBondContact O-N 2.95Å; P238-L604 HydrophobicContact CB-CD2 4.15Å; P238-L604 HydrophobicContact CG-CD2 3.98Å
239L98.2Very high97.3Very high0 Ų06.5 Ų6.50%03%0.034CC..Hα-helixtrans-80.7-21.3172.3-70.7171.2000112.6F235 I236 T237 R396 C399 V403 L440 L604 L605F235-L239 WeakPolarHBondContact O-CD1 3.31Å; F235-L239 WeakPolarHBondContact O-CG 3.46Å; F235-L239 PolarHBondContact O-N 3.19Å; I236-L239 WeakPolarHBondContact O-CA 3.42Å; I236-L239 WeakPolarHBondContact O-CB 3.37Å; I236-L239 PolarHBondContact O-N 2.9Å; T237-L239 VanDerWaalsContact C-N 3.26Å; T237-L239 PolarHBondContact O-N 2.86Å; L239-R396 HydrophobicContact CB-CG 4.4Å; L239-R396 HydrophobicContact CD2-CG 3.98Å; L239-R396 WeakPolarHBondContact O-CD 3.42Å; L239-R396 VanDerWaalsContact O-CG 3.29Å; L239-R396 WeakPolarHBondContact O-CG 3.48Å; L239-R396 PolarHBondContact O-NH1 3.15Å; L239-C399 HydrophobicContact CD1-CB 3.84Å; L239-C399 HydrophobicContact CD2-CB 4.08Å; L239-V403 HydrophobicContact CD1-CG2 4.34Å; L239-L440 HydrophobicContact CD1-CD2 4.11Å; L239-L604 HydrophobicContact CD2-CD2 4.21Å; L239-L604 HydrophobicContact CG-CD2 4.38Å; L239-L605 HydrophobicContact CD2-CD1 4.44Å; L239-L605 HydrophobicContact CD2-CD2 4.28Å; L239-L605 HydrophobicContact CD2-CG 4.47Å
240C97.6Very high97.3Very high2 Ų26.4 Ų6.41%0.0143%0.034CC..SBendtrans-71.3149.4176.9-68.10000112.3I236 T237 Q242 E365 F511I236-C240 PolarHBondContact O-N 3.39Å; I236-C240 VanDerWaalsContact O-N 3.08Å; I236-C240 PolarHBondContact O-SG 2.82Å; I236-C240 VanDerWaalsContact O-SG 3.34Å; T237-C240 PolarHBondContact O-N 3.06Å; C240-Q242 PolarHBondContact O-N 3.01Å; C240-E365 WeakPolarHBondContact CA-OE1 3.33Å; C240-E365 VanDerWaalsContact CB-OE1 3.27Å; C240-E365 WeakPolarHBondContact CB-OE1 3.22Å; C240-F511 HydrophobicContact CB-CD1 3.76Å; C240-F511 HydrophobicContact CB-CE1 3.37Å; C240-F511 HydrophobicContact CB-CE2 4.24Å; C240-F511 HydrophobicContact CB-CG 4.37Å; C240-F511 HydrophobicContact CB-CZ 3.64Å
241S95.9Very high97.1Very high5 Ų58.3 Ų8.34%0.0354%0.044CC..PPolyproline II helixtrans-70.4125.4177.7-57.10000109.3V243 L361 E365 R396 F511S241-V243 PolarHBondContact O-N 3.29Å; S241-L361 WeakPolarHBondContact OG-CD2 3.12Å; S241-E365 WeakPolarHBondContact CB-OE2 3.34Å; S241-E365 VanDerWaalsContact N-CD 3.27Å; S241-E365 PolarHBondContact N-OE1 3.34Å; S241-E365 PolarHBondContact N-OE2 3.43Å; S241-E365 PolarHBondContact OG-OE2 3.17Å; S241-R396 VanDerWaalsContact N-NH1 3.13Å; S241-R396 PolarHBondContact OG-NH1 2.91Å; S241-R396 PolarHBondContact OG-NH2 2.97Å; S241-F511 WeakPolarHBondContact O-CD1 3.33Å; S241-F511 WeakPolarHBondContact O-CE1 3.3Å
242Q95.8Very high97Very high5 Ų59.7 Ų9.72%0.0235%0.051CC..PPolyproline II helixtrans-72.7129.5175.5-57.6-173.790.700109.7C240 L248 D251 S575C240-Q242 PolarHBondContact O-N 3.01Å; Q242-L248 WeakPolarHBondContact O-CD2 3.44Å; Q242-L248 WeakPolarHBondContact O-CG 3.27Å; Q242-D251 PolarHBondContact NE2-OD1 3.24Å; Q242-S575 WeakPolarHBondContact CG-OG 3.47Å; Q242-S575 VanDerWaalsContact OE1-N 3.16Å
243V96.1Very high97Very high4 Ų47.8 Ų7.82%0.0244%0.04CC..  trans-121.76.4178.8-64.40000113.9S241 H291 F292 F358 L362 I510S241-V243 PolarHBondContact O-N 3.29Å; V243-H291 VanDerWaalsContact CG2-CD2 3.5Å; V243-H291 WeakPolarHBondContact CG2-CD2 3.34Å; V243-H291 WeakPolarHBondContact CG2-NE2 3.34Å; V243-F292 VanDerWaalsContact O-CB 3.31Å; V243-F292 WeakPolarHBondContact O-CB 3.38Å; V243-F292 PolarHBondContact O-N 2.87Å; V243-F358 HydrophobicContact CG1-CZ 4.2Å; V243-L362 HydrophobicContact CG1-CD1 4.22Å; V243-L362 HydrophobicContact CG1-CD2 4.16Å; V243-I510 VanDerWaalsContact CG2-C 3.48Å; V243-I510 WeakPolarHBondContact CG2-O 3.44Å
244V97.6Very high96.9Very high0 Ų014.6 Ų14.60%07%0.065CC..BIsolated β-bridgetrans-82.3152.4164.9-64.70000110.6E246 G247 L248 E290 Y509 I510V244-E246 PolarHBondContact O-N 2.85Å; V244-G247 PolarHBondContact O-N 3.38Å; V244-L248 PolarHBondContact O-N 2.93Å; V244-E290 WeakPolarHBondContact CA-O 3.44Å; V244-Y509 HydrophobicContact CG1-CE2 4.05Å; V244-I510 HydrophobicContact CG1-CB 3.98Å; V244-I510 HydrophobicContact CG1-CG2 3.92Å
245Y98.2Very high96.9Very high0 Ų015 Ų150%07%0.067CC..Hα-helixtrans-54.8-50.4-174.6-176.6-106.6000113.7G247 L248 V249 F284 I287 E290 F292 V295 H342 S346 I349Y245-G247 VanDerWaalsContact C-N 3.31Å; Y245-G247 PolarHBondContact O-N 2.94Å; Y245-L248 PolarHBondContact O-N 3Å; Y245-V249 HydrophobicContact CD1-CG2 4.13Å; Y245-V249 HydrophobicContact CD2-CG2 4.47Å; Y245-V249 HydrophobicContact CE1-CG2 3.7Å; Y245-V249 HydrophobicContact CE2-CG2 4.09Å; Y245-V249 WeakPolarHBondContact O-CG2 3.46Å; Y245-V249 PolarHBondContact O-N 3.42Å; Y245-F284 HydrophobicContact CD1-CD2 4.19Å; Y245-F284 HydrophobicContact CD1-CE2 4.03Å; Y245-F284 AromaticContact CE1-CD2 3.95Å; Y245-F284 HydrophobicContact CE1-CD2 3.95Å; Y245-F284 HydrophobicContact CE1-CE2 4.02Å; Y245-I287 WeakPolarHBondContact CB-O 3.42Å; Y245-I287 HydrophobicContact CD1-CD1 3.71Å; Y245-I287 HydrophobicContact CD1-CG1 3.65Å; Y245-I287 HydrophobicContact CD2-CD1 4.46Å; Y245-I287 HydrophobicContact CE1-CD1 3.47Å; Y245-I287 VanDerWaalsContact CE1-CD1 3.47Å; Y245-I287 HydrophobicContact CE1-CG1 3.91Å; Y245-I287 HydrophobicContact CE2-CD1 4.27Å; Y245-I287 HydrophobicContact CG-CD1 4.2Å; Y245-I287 HydrophobicContact CG-CG1 4.15Å; Y245-E290 PolarHBondContact N-O 3.01Å; Y245-E290 VanDerWaalsContact N-O 3.08Å; Y245-F292 HydrophobicContact CD2-CD2 4.08Å; Y245-F292 HydrophobicContact CD2-CE2 4.12Å; Y245-F292 HydrophobicContact CE2-CE2 4.45Å; Y245-V295 HydrophobicContact CD2-CG1 3.8Å; Y245-V295 HydrophobicContact CD2-CG2 4.21Å; Y245-V295 HydrophobicContact CE2-CG1 4.15Å; Y245-V295 HydrophobicContact CG-CG1 4.41Å; Y245-V295 HydrophobicContact CG-CG2 4.37Å; Y245-H342 AromaticContact CE1-ND1 3.58Å; Y245-H342 AromaticContact CZ-ND1 3.59Å; Y245-H342 PolarHBondContact OH-ND1 3.4Å; Y245-H342 PolarHBondContact OH-O 3.36Å; Y245-S346 WeakPolarHBondContact CE2-OG 3.44Å; Y245-I349 HydrophobicContact CE2-CD1 4.31Å
246E98.4Very high96.8Very high5 Ų518.4 Ų18.42%0.0238%0.082CC..Hα-helixtrans-64.1-37.4-178.4-177.8167.3-145.400112.1V244 V249 D250 I255 F284 R288 F574 R581V244-E246 PolarHBondContact O-N 2.85Å; E246-V249 PolarHBondContact O-N 2.85Å; E246-D250 PolarHBondContact O-N 2.66Å; E246-I255 HydrophobicContact CG-CD1 4.16Å; E246-F284 HydrophobicContact CB-CE2 4.34Å; E246-F284 HydrophobicContact CB-CZ 4.06Å; E246-F284 HydrophobicContact CG-CE2 4.44Å; E246-F284 HydrophobicContact CG-CZ 3.76Å; E246-F284 WeakPolarHBondContact OE1-CZ 3.43Å; E246-R288 HydrophobicContact CB-CB 3.94Å; E246-R288 WeakPolarHBondContact CB-O 3.26Å; E246-R288 PolarHBondContact N-O 3.3Å; E246-F574 HydrophobicContact CG-CB 4.12Å; E246-F574 HydrophobicContact CG-CD1 3.51Å; E246-F574 HydrophobicContact CG-CD2 4.22Å; E246-F574 HydrophobicContact CG-CE1 3.86Å; E246-F574 HydrophobicContact CG-CG 3.71Å; E246-F574 HydrophobicContact CG-CZ 4.35Å; E246-F574 WeakPolarHBondContact OE1-CE1 3.23Å; E246-R581 IonicContact OE2-NH1 2.69Å; E246-R581 PolarHBondContact OE2-NH1 3Å
247G97.8Very high96.7Very high0 Ų017.9 Ų17.90%08%0.079CC..Hα-helixtrans-64.2-42.317400000112.8V244 Y245 D250 D251V244-G247 PolarHBondContact O-N 3.38Å; Y245-G247 VanDerWaalsContact C-N 3.31Å; Y245-G247 PolarHBondContact O-N 2.94Å; G247-D250 WeakPolarHBondContact O-CB 3.48Å; G247-D250 PolarHBondContact O-N 2.65Å; G247-D251 PolarHBondContact O-N 3.18Å
248L97.2Very high96.5Very high2 Ų218 Ų181%0.018%0.081CC..Hα-helixtrans-69.7-35175.5-74.4172000112.9Q242 V244 Y245 D250 D251 I252 F292 I349 F358Q242-L248 WeakPolarHBondContact O-CD2 3.44Å; Q242-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 2.93Å; Y245-L248 PolarHBondContact O-N 3Å; L248-D250 VanDerWaalsContact C-N 3.26Å; L248-D250 PolarHBondContact O-N 2.9Å; L248-D251 PolarHBondContact O-N 3.06Å; L248-I252 VanDerWaalsContact O-CB 3.29Å; L248-I252 WeakPolarHBondContact O-CB 3.43Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.33Å; L248-I252 PolarHBondContact O-N 2.9Å; L248-F292 HydrophobicContact CD1-CB 3.41Å; L248-F292 VanDerWaalsContact CD1-CB 3.41Å; L248-F292 HydrophobicContact CD1-CD1 3.84Å; L248-F292 HydrophobicContact CD1-CD2 3.54Å; L248-F292 HydrophobicContact CD1-CE1 4.49Å; L248-F292 HydrophobicContact CD1-CE2 4.25Å; L248-F292 HydrophobicContact CD1-CG 3.3Å; L248-I349 HydrophobicContact CB-CD1 4.2Å; L248-I349 HydrophobicContact CB-CG2 4.2Å; L248-I349 HydrophobicContact CD1-CG2 4.18Å; L248-F358 HydrophobicContact CD2-CZ 4.5Å
249V97.7Very high96.4Very high1 Ų118.4 Ų18.41%0.0068%0.084CC..Hα-helixtrans-61.1-41.5171.3170.90000109.9Y245 E246 F253 I255 V260 L277 I349Y245-V249 HydrophobicContact CD1-CG2 4.13Å; Y245-V249 HydrophobicContact CD2-CG2 4.47Å; Y245-V249 HydrophobicContact CE1-CG2 3.7Å; Y245-V249 HydrophobicContact CE2-CG2 4.09Å; Y245-V249 WeakPolarHBondContact O-CG2 3.46Å; Y245-V249 PolarHBondContact O-N 3.42Å; E246-V249 PolarHBondContact O-N 2.85Å; V249-F253 HydrophobicContact CG1-CD2 4.18Å; V249-F253 WeakPolarHBondContact O-CA 3.28Å; V249-F253 WeakPolarHBondContact O-CB 3.43Å; V249-F253 PolarHBondContact O-N 3.47Å; V249-I255 HydrophobicContact CB-CD1 4.49Å; V249-I255 HydrophobicContact CG1-CD1 4.08Å; V249-I255 HydrophobicContact CG1-CG1 4.17Å; V249-V260 HydrophobicContact CG1-CG2 4.24Å; V249-L277 HydrophobicContact CG1-CD1 3.82Å; V249-I349 HydrophobicContact CG2-CD1 4.03Å
250D97.6Very high96.3Very high2 Ų218.5 Ų18.51%0.0118%0.084CC..Hα-helixtrans-65.5-44.8175.9-169.844.4000113.3E246 G247 L248 I252 R254 I255 F574 N600 R603E246-D250 PolarHBondContact O-N 2.66Å; G247-D250 WeakPolarHBondContact O-CB 3.48Å; G247-D250 PolarHBondContact O-N 2.65Å; L248-D250 VanDerWaalsContact C-N 3.26Å; L248-D250 PolarHBondContact O-N 2.9Å; D250-I252 VanDerWaalsContact C-N 3.27Å; D250-I252 PolarHBondContact O-N 2.83Å; D250-R254 WeakPolarHBondContact O-CA 3.37Å; D250-R254 PolarHBondContact O-N 3.2Å; D250-I255 HydrophobicContact CB-CB 4.44Å; D250-I255 HydrophobicContact CB-CD1 3.98Å; D250-I255 HydrophobicContact CB-CG1 4.08Å; D250-I255 WeakPolarHBondContact OD1-CB 3.05Å; D250-I255 PolarHBondContact OD1-N 2.95Å; D250-F574 HydrophobicContact CB-CD2 3.7Å; D250-F574 HydrophobicContact CB-CE2 3.82Å; D250-N600 PolarHBondContact OD2-ND2 2.86Å; D250-R603 VanDerWaalsContact CG-NH1 3.35Å; D250-R603 IonicContact OD1-CZ 3.81Å; D250-R603 IonicContact OD1-NH1 2.74Å; D250-R603 PolarHBondContact OD1-NH1 3.47Å; D250-R603 IonicContact OD1-NH2 3.68Å; D250-R603 PolarHBondContact OD1-NH2 2.79Å; D250-R603 IonicContact OD2-CZ 2.84Å; D250-R603 IonicContact OD2-NH1 3.7Å; D250-R603 PolarHBondContact OD2-NH1 2.94Å; D250-R603 IonicContact OD2-NH2 2.82Å
251D94.6Very high96.2Very high40 Ų4024 Ų2421%0.21411%0.11CC..Hα-helixtrans-65.3-31.8179.9-72.5-6.4000112.3Q242 G247 L248 N600Q242-D251 PolarHBondContact NE2-OD1 3.24Å; G247-D251 PolarHBondContact O-N 3.18Å; L248-D251 PolarHBondContact O-N 3.06Å; D251-N600 PolarHBondContact OD1-ND2 3.29Å
252I94.6Very high96.2Very high31 Ų3123.9 Ų23.916%0.15911%0.108CC..Hα-helixtrans-97.4-36.9-173.7-65.1-57000114.1L248 D250 I349 K352 K353L248-I252 VanDerWaalsContact O-CB 3.29Å; L248-I252 WeakPolarHBondContact O-CB 3.43Å; L248-I252 VanDerWaalsContact O-CG1 3.28Å; L248-I252 WeakPolarHBondContact O-CG1 3.33Å; L248-I252 PolarHBondContact O-N 2.9Å; D250-I252 VanDerWaalsContact C-N 3.27Å; D250-I252 PolarHBondContact O-N 2.83Å; I252-I349 HydrophobicContact CB-CG1 4.25Å; I252-I349 HydrophobicContact CG1-CG1 4.1Å; I252-I349 HydrophobicContact CG2-CG1 4.31Å; I252-K352 HydrophobicContact CD1-CB 4.06Å; I252-K352 HydrophobicContact CD1-CD 4.38Å; I252-K352 HydrophobicContact CG2-CD 3.38Å; I252-K353 HydrophobicContact CD1-CD 4.46Å; I252-K353 HydrophobicContact CD1-CG 4.08Å
253F95.9Very high96.1Very high21 Ų2124.1 Ų24.19%0.09211%0.113CC..Hα-helixtrans-118.8-5.7-173.8-54.5-74.8000113.5V249 V260 F262 E265 V266 A345 I349V249-F253 HydrophobicContact CG1-CD2 4.18Å; V249-F253 WeakPolarHBondContact O-CA 3.28Å; V249-F253 WeakPolarHBondContact O-CB 3.43Å; V249-F253 PolarHBondContact O-N 3.47Å; F253-V260 HydrophobicContact CB-CG2 3.39Å; F253-V260 HydrophobicContact CG-CG2 4.33Å; F253-F262 HydrophobicContact CB-CE1 4.46Å; F253-F262 HydrophobicContact CD1-CD1 4.1Å; F253-F262 HydrophobicContact CD1-CE1 4.34Å; F253-F262 HydrophobicContact CD2-CD1 4.38Å; F253-F262 AromaticContact CD2-CE1 3.81Å; F253-F262 HydrophobicContact CD2-CE1 3.81Å; F253-F262 HydrophobicContact CE1-CD1 4.31Å; F253-F262 HydrophobicContact CE2-CE1 4.04Å; F253-F262 HydrophobicContact CG-CD1 4.13Å; F253-F262 AromaticContact CG-CE1 3.96Å; F253-F262 HydrophobicContact CG-CE1 3.96Å; F253-F262 HydrophobicContact CZ-CE1 4.41Å; F253-E265 HydrophobicContact CE1-CG 4.36Å; F253-V266 HydrophobicContact CE1-CG2 3.64Å; F253-V266 HydrophobicContact CZ-CG2 3.65Å; F253-A345 HydrophobicContact CE2-CB 4.19Å; F253-A345 HydrophobicContact CZ-CB 4.48Å; F253-I349 HydrophobicContact CE2-CD1 4.15Å; F253-I349 HydrophobicContact CE2-CG1 3.8Å; F253-I349 HydrophobicContact CZ-CG1 4.44Å
254R94.9Very high95.9Very high151 Ų15127.3 Ų27.357%0.5713%0.133SC*.  trans58.396.7178.3-161.6178.8-170.4166.710.5113.2D250 K256 R603 E606D250-R254 WeakPolarHBondContact O-CA 3.37Å; D250-R254 PolarHBondContact O-N 3.2Å; R254-K256 PolarHBondContact O-N 3.39Å; R254-R603 VanDerWaalsContact CG-NH2 3.35Å; R254-E606 IonicContact NH2-OE2 2.71Å; R254-E606 PolarHBondContact NH2-OE2 3.01Å
255I96.8Very high95.6Very high11 Ų1131.6 Ų31.66%0.05615%0.153CC..  trans-71.8130.7172.9-59.7174.8000108.8E246 V249 D250 C259 L277 F574 R603E246-I255 HydrophobicContact CG-CD1 4.16Å; V249-I255 HydrophobicContact CB-CD1 4.49Å; V249-I255 HydrophobicContact CG1-CD1 4.08Å; V249-I255 HydrophobicContact CG1-CG1 4.17Å; D250-I255 HydrophobicContact CB-CB 4.44Å; D250-I255 HydrophobicContact CB-CD1 3.98Å; D250-I255 HydrophobicContact CB-CG1 4.08Å; D250-I255 WeakPolarHBondContact OD1-CB 3.05Å; D250-I255 PolarHBondContact OD1-N 2.95Å; I255-C259 WeakPolarHBondContact CA-O 3.26Å; I255-L277 HydrophobicContact CD1-CD1 3.55Å; I255-L277 HydrophobicContact CG1-CD1 3.83Å; I255-F574 HydrophobicContact CB-CE2 4.05Å; I255-F574 HydrophobicContact CB-CZ 4.27Å; I255-F574 HydrophobicContact CD1-CD2 4.35Å; I255-F574 HydrophobicContact CD1-CE2 3.63Å; I255-F574 HydrophobicContact CD1-CZ 3.83Å; I255-F574 HydrophobicContact CG1-CE2 4.34Å; I255-F574 HydrophobicContact CG2-CE2 4.32Å; I255-F574 HydrophobicContact CG2-CZ 4.02Å; I255-R603 PolarHBondContact O-NH2 2.75Å
256K94.8Very high95.4Very high91 Ų9131.7 Ų31.740%0.39615%0.154SC..BIsolated β-bridgetrans-130.2121.8175.9-172.5177.4-177.5-168.20109.7S47 R254 G258 C259S47-K256 WeakPolarHBondContact OG-CD 3.35Å; S47-K256 VanDerWaalsContact OG-CE 3.24Å; S47-K256 WeakPolarHBondContact OG-CE 3.4Å; S47-K256 PolarHBondContact OG-NZ 3.24Å; R254-K256 PolarHBondContact O-N 3.39Å; K256-G258 PolarHBondContact O-N 3.24Å; K256-C259 PolarHBondContact N-O 3.37Å; K256-C259 WeakPolarHBondContact O-CB 3.42Å; K256-C259 PolarHBondContact O-N 3.34Å
257C95.1Very high95.1Very high3 Ų332.8 Ų32.82%0.0216%0.161CC..THydrogen-bonded Turntrans49.843.2-177.4-45.60000113S47 P48 R51 L146 E156 C259S47-C257 WeakPolarHBondContact CB-SG 3.48Å; P48-C257 WeakPolarHBondContact CD-SG 3.28Å; R51-C257 WeakPolarHBondContact CD-O 3.2Å; R51-C257 HydrophobicContact CG-CB 4.15Å; R51-C257 PolarHBondContact NH1-O 2.95Å; L146-C257 HydrophobicContact CD2-CB 4.02Å; E156-C257 PolarHBondContact OE2-SG 2.95Å; C257-C259 PolarHBondContact O-N 2.78Å; C257-C259 PolarHBondContact O-SG 2.94Å
258G94.8Very high94.5Very high4 Ų437.9 Ų37.94%0.04120%0.196CC..THydrogen-bonded Turntrans66.917.5-178.200000114.9K256 L277K256-G258 PolarHBondContact O-N 3.24Å; G258-L277 PolarHBondContact O-N 3.38Å
259C95.2Very high94.1Very high9 Ų940.3 Ų40.36%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-120.8149.6175.5-48.40000110.2I255 K256 C257 K274 V275 M276I255-C259 WeakPolarHBondContact CA-O 3.26Å; K256-C259 PolarHBondContact N-O 3.37Å; K256-C259 WeakPolarHBondContact O-CB 3.42Å; K256-C259 PolarHBondContact O-N 3.34Å; C257-C259 PolarHBondContact O-N 2.78Å; C257-C259 PolarHBondContact O-SG 2.94Å; C259-K274 HydrophobicContact CB-CG 4.31Å; C259-V275 CarbonylContact C-O 3.6Å; C259-V275 VanDerWaalsContact CA-O 3.29Å; C259-V275 WeakPolarHBondContact CA-O 3.47Å; C259-M276 HydrophobicContact CB-SD 4.48Å; C259-M276 PolarHBondContact SG-SD 3.18Å
260V95.8Very high93.6Very high2 Ų248.1 Ų48.11%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-123.2144.5170.166.60000109.2V249 F253 F262 K274 V275 L277V249-V260 HydrophobicContact CG1-CG2 4.24Å; F253-V260 HydrophobicContact CB-CG2 3.39Å; F253-V260 HydrophobicContact CG-CG2 4.33Å; V260-F262 HydrophobicContact CB-CZ 4.5Å; V260-F262 HydrophobicContact CG1-CD1 4.45Å; V260-F262 HydrophobicContact CG1-CD2 3.97Å; V260-F262 HydrophobicContact CG1-CE1 4Å; V260-F262 HydrophobicContact CG1-CE2 3.46Å; V260-F262 VanDerWaalsContact CG1-CE2 3.46Å; V260-F262 HydrophobicContact CG1-CG 4.43Å; V260-F262 HydrophobicContact CG1-CZ 3.48Å; V260-F262 VanDerWaalsContact CG1-CZ 3.48Å; V260-F262 HydrophobicContact CG2-CD1 4.19Å; V260-F262 HydrophobicContact CG2-CE1 3.9Å; V260-F262 HydrophobicContact CG2-CZ 4.23Å; V260-K274 CarbonylContact O-C 3.57Å; V260-K274 WeakPolarHBondContact O-CA 3.4Å; V260-V275 HydrophobicContact CG1-CB 4.07Å; V260-V275 PolarHBondContact N-O 3.02Å; V260-V275 PolarHBondContact O-N 3.03Å; V260-L277 HydrophobicContact CB-CD1 3.88Å; V260-L277 HydrophobicContact CB-CG 4.39Å; V260-L277 HydrophobicContact CG1-CD1 3.69Å; V260-L277 HydrophobicContact CG1-CD2 4.04Å; V260-L277 HydrophobicContact CG1-CG 3.81Å
261E95.2Very high93.2Very high118 Ų11855.9 Ų55.955%0.55129%0.289SS*.EExtended strand (participates in β ladder)trans-106.1106.4172-174.8170.6-176.400109.1S272E261-S272 WeakPolarHBondContact OE1-CB 3.33Å; E261-S272 PolarHBondContact OE1-OG 3.22Å
262F95.8Very high93.1Very high1 Ų156.9 Ų56.90%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-84.3123.4178.6-74-48.8000110.5F253 V260 V266 T267 S272 L273 V275 A345F253-F262 HydrophobicContact CB-CE1 4.46Å; F253-F262 HydrophobicContact CD1-CD1 4.1Å; F253-F262 HydrophobicContact CD1-CE1 4.34Å; F253-F262 HydrophobicContact CD2-CD1 4.38Å; F253-F262 AromaticContact CD2-CE1 3.81Å; F253-F262 HydrophobicContact CD2-CE1 3.81Å; F253-F262 HydrophobicContact CE1-CD1 4.31Å; F253-F262 HydrophobicContact CE2-CE1 4.04Å; F253-F262 HydrophobicContact CG-CD1 4.13Å; F253-F262 AromaticContact CG-CE1 3.96Å; F253-F262 HydrophobicContact CG-CE1 3.96Å; F253-F262 HydrophobicContact CZ-CE1 4.41Å; V260-F262 HydrophobicContact CB-CZ 4.5Å; V260-F262 HydrophobicContact CG1-CD1 4.45Å; V260-F262 HydrophobicContact CG1-CD2 3.97Å; V260-F262 HydrophobicContact CG1-CE1 4Å; V260-F262 HydrophobicContact CG1-CE2 3.46Å; V260-F262 VanDerWaalsContact CG1-CE2 3.46Å; V260-F262 HydrophobicContact CG1-CG 4.43Å; V260-F262 HydrophobicContact CG1-CZ 3.48Å; V260-F262 VanDerWaalsContact CG1-CZ 3.48Å; V260-F262 HydrophobicContact CG2-CD1 4.19Å; V260-F262 HydrophobicContact CG2-CE1 3.9Å; V260-F262 HydrophobicContact CG2-CZ 4.23Å; F262-V266 HydrophobicContact CB-CB 3.96Å; F262-V266 HydrophobicContact CB-CG1 4.01Å; F262-V266 HydrophobicContact CD1-CB 4.06Å; F262-V266 HydrophobicContact CD1-CG1 3.89Å; F262-V266 HydrophobicContact CD1-CG2 3.86Å; F262-V266 HydrophobicContact CD2-CG1 4.24Å; F262-V266 HydrophobicContact CE1-CG1 4.44Å; F262-V266 HydrophobicContact CE1-CG2 4.48Å; F262-V266 HydrophobicContact CG-CB 4.13Å; F262-V266 HydrophobicContact CG-CG1 3.79Å; F262-V266 HydrophobicContact CG-CG2 4.44Å; F262-T267 HydrophobicContact CB-CG2 4.05Å; F262-T267 WeakPolarHBondContact O-CG2 3.46Å; F262-S272 CarbonylContact O-C 3.57Å; F262-S272 WeakPolarHBondContact O-CA 3.33Å; F262-L273 PolarHBondContact N-O 3.47Å; F262-L273 PolarHBondContact O-N 3.03Å; F262-V275 HydrophobicContact CD2-CB 4.23Å; F262-V275 HydrophobicContact CD2-CG2 3.72Å; F262-V275 HydrophobicContact CE2-CB 4.18Å; F262-V275 HydrophobicContact CE2-CG2 4.07Å; F262-A345 HydrophobicContact CE1-CB 3.95Å; F262-A345 HydrophobicContact CZ-CB 4.09Å
263G94.1Very high93.1Very high11 Ų1157.6 Ų57.611%0.11330%0.303CS..  trans-82.4-175.7175.700000113.9E265 V266 T267G263-E265 VanDerWaalsContact CA-OE2 3.22Å; G263-E265 WeakPolarHBondContact CA-OE2 3.4Å; G263-E265 PolarHBondContact O-N 3.2Å; G263-E265 VanDerWaalsContact O-N 3.09Å; G263-V266 PolarHBondContact O-N 3.09Å; G263-T267 PolarHBondContact O-N 2.9Å; G263-T267 PolarHBondContact O-OG1 2.84Å
264P92.7Very high93Very high71 Ų7161.3 Ų61.346%0.46132%0.319SS..Hα-helixtrans-54.2-28.2-179.7-2735.9000114.5V266 S268 S269P264-V266 PolarHBondContact O-N 2.86Å; P264-S268 PolarHBondContact O-N 3.05Å; P264-S269 WeakPolarHBondContact CA-O 3.23Å; P264-S269 VanDerWaalsContact CB-O 3.32Å; P264-S269 WeakPolarHBondContact CB-O 3.29Å
265E91Very high92.9Very high90 Ų9054.7 Ų54.742%0.42130%0.296SS..Hα-helixtrans-65.4-17.6177.675.3-78.4-166.700113.9F253 G263 S348 K352F253-E265 HydrophobicContact CE1-CG 4.36Å; G263-E265 VanDerWaalsContact CA-OE2 3.22Å; G263-E265 WeakPolarHBondContact CA-OE2 3.4Å; G263-E265 PolarHBondContact O-N 3.2Å; G263-E265 VanDerWaalsContact O-N 3.09Å; E265-S348 WeakPolarHBondContact CG-OG 3.47Å; E265-K352 IonicContact OE1-NZ 2.82Å
266V93.7Very high92.8Very high2 Ų258 Ų581%0.01231%0.312CS..Hα-helixtrans-113.9-41.4174.8177.70000111.3F253 F262 G263 P264 S268 L341 S344 A345F253-V266 HydrophobicContact CE1-CG2 3.64Å; F253-V266 HydrophobicContact CZ-CG2 3.65Å; F262-V266 HydrophobicContact CB-CB 3.96Å; F262-V266 HydrophobicContact CB-CG1 4.01Å; F262-V266 HydrophobicContact CD1-CB 4.06Å; F262-V266 HydrophobicContact CD1-CG1 3.89Å; F262-V266 HydrophobicContact CD1-CG2 3.86Å; F262-V266 HydrophobicContact CD2-CG1 4.24Å; F262-V266 HydrophobicContact CE1-CG1 4.44Å; F262-V266 HydrophobicContact CE1-CG2 4.48Å; F262-V266 HydrophobicContact CG-CB 4.13Å; F262-V266 HydrophobicContact CG-CG1 3.79Å; F262-V266 HydrophobicContact CG-CG2 4.44Å; G263-V266 PolarHBondContact O-N 3.09Å; P264-V266 PolarHBondContact O-N 2.86Å; V266-S268 VanDerWaalsContact C-N 3.28Å; V266-S268 PolarHBondContact O-N 2.98Å; V266-L341 HydrophobicContact CG1-CD2 4.29Å; V266-S344 VanDerWaalsContact O-CB 3.25Å; V266-S344 WeakPolarHBondContact O-CB 3.22Å; V266-A345 HydrophobicContact CG1-CB 4.14Å; V266-A345 HydrophobicContact CG2-CB 4.35Å
267T91.7Very high92.8Very high28 Ų2853.8 Ų53.817%0.17229%0.294CS..Hα-helixtrans-76.3-16-174.667.20000113.4F262 G263 S269 K271 L273F262-T267 HydrophobicContact CB-CG2 4.05Å; F262-T267 WeakPolarHBondContact O-CG2 3.46Å; G263-T267 PolarHBondContact O-N 2.9Å; G263-T267 PolarHBondContact O-OG1 2.84Å; T267-S269 PolarHBondContact O-N 3.29Å; T267-S269 PolarHBondContact OG1-N 2.75Å; T267-S269 PolarHBondContact OG1-O 2.79Å; T267-S269 VanDerWaalsContact OG1-O 3.1Å; T267-S269 PolarHBondContact OG1-OG 3.02Å; T267-S269 VanDerWaalsContact OG1-OG 3.06Å; T267-K271 PolarHBondContact OG1-O 2.92Å; T267-L273 HydrophobicContact CG2-CB 3.67Å
268S86.5Confident92.7Very high106 Ų10654.6 Ų54.674%0.74130%0.298SS*.SBendtrans54.428.4-171.5-52.80000112.7P264 V266P264-S268 PolarHBondContact O-N 3.05Å; V266-S268 VanDerWaalsContact C-N 3.28Å; V266-S268 PolarHBondContact O-N 2.98Å
269S87.8Confident92.6Very high54 Ų5455.2 Ų55.238%0.37830%0.302SS..SBendtrans-143.1156.8179.976.90000110.3P264 T267 K271P264-S269 WeakPolarHBondContact CA-O 3.23Å; P264-S269 VanDerWaalsContact CB-O 3.32Å; P264-S269 WeakPolarHBondContact CB-O 3.29Å; T267-S269 PolarHBondContact O-N 3.29Å; T267-S269 PolarHBondContact OG1-N 2.75Å; T267-S269 PolarHBondContact OG1-O 2.79Å; T267-S269 VanDerWaalsContact OG1-O 3.1Å; T267-S269 PolarHBondContact OG1-OG 3.02Å; T267-S269 VanDerWaalsContact OG1-OG 3.06Å; S269-K271 PolarHBondContact O-N 3.16Å; S269-K271 PolarHBondContact OG-N 2.99Å; S269-K271 PolarHBondContact OG-O 3.05Å
270D86.9Confident92.4Very high165 Ų16562.3 Ų62.388%0.88233%0.334SS*.SBendtrans-66.9-3.5178.6-61.1-33000113.9
271K90.1Very high92.3Very high164 Ų16462.7 Ų62.771%0.71334%0.336SS*.SBendtrans-106137.6-179-63.8-175.6-178.7-179.60110.7T267 S269T267-K271 PolarHBondContact OG1-O 2.92Å; S269-K271 PolarHBondContact O-N 3.16Å; S269-K271 PolarHBondContact OG-N 2.99Å; S269-K271 PolarHBondContact OG-O 3.05Å
272S92.6Very high92.2Very high62 Ų6263.7 Ų63.743%0.43434%0.339SS..  trans-71.2151.2166.162.70000110.8E261 F262E261-S272 WeakPolarHBondContact OE1-CB 3.33Å; E261-S272 PolarHBondContact OE1-OG 3.22Å; F262-S272 CarbonylContact O-C 3.57Å; F262-S272 WeakPolarHBondContact O-CA 3.33Å
273L93.4Very high92.2Very high46 Ų4663.7 Ų63.724%0.24134%0.338CS..EExtended strand (participates in β ladder)trans-126.4116.4176.1179.567.4000109.6F262 T267 V275 L341F262-L273 PolarHBondContact N-O 3.47Å; F262-L273 PolarHBondContact O-N 3.03Å; T267-L273 HydrophobicContact CG2-CB 3.67Å; L273-V275 HydrophobicContact CD2-CG2 3.89Å; L273-V275 HydrophobicContact CG-CG2 3.87Å; L273-L341 HydrophobicContact CD2-CD1 3.77Å; L273-L341 HydrophobicContact CD2-CD2 4.04Å
274K93.4Very high92.3Very high98 Ų9863.1 Ų63.143%0.42633%0.333SS..EExtended strand (participates in β ladder)trans-75.9123.9169.5-169.2178.6-179.7-176.10109.7D50 C259 V260D50-K274 IonicContact OD2-NZ 3.34Å; D50-K274 PolarHBondContact OD2-NZ 3.21Å; C259-K274 HydrophobicContact CB-CG 4.31Å; V260-K274 CarbonylContact O-C 3.57Å; V260-K274 WeakPolarHBondContact O-CA 3.4Å
275V93.9Very high92.5Very high13 Ų1363 Ų638%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-121.8135.1-180-1780000109.4C259 V260 F262 L273 L277 L341C259-V275 CarbonylContact C-O 3.6Å; C259-V275 VanDerWaalsContact CA-O 3.29Å; C259-V275 WeakPolarHBondContact CA-O 3.47Å; V260-V275 HydrophobicContact CG1-CB 4.07Å; V260-V275 PolarHBondContact N-O 3.02Å; V260-V275 PolarHBondContact O-N 3.03Å; F262-V275 HydrophobicContact CD2-CB 4.23Å; F262-V275 HydrophobicContact CD2-CG2 3.72Å; F262-V275 HydrophobicContact CE2-CB 4.18Å; F262-V275 HydrophobicContact CE2-CG2 4.07Å; L273-V275 HydrophobicContact CD2-CG2 3.89Å; L273-V275 HydrophobicContact CG-CG2 3.87Å; V275-L277 HydrophobicContact CG1-CD2 4.32Å; V275-L341 HydrophobicContact CG2-CD1 4.23Å
276M94.4Very high92.7Very high79 Ų7962.6 Ų62.639%0.38933%0.326SS..EExtended strand (participates in β ladder)trans-81.3123.5171.1-63.2-67.4-52.600108.6R51 C259R51-M276 VanDerWaalsContact CZ-CE 3.45Å; C259-M276 HydrophobicContact CB-SD 4.48Å; C259-M276 PolarHBondContact SG-SD 3.18Å
277L94.4Very high92.9Very high4 Ų462.5 Ų62.52%0.02133%0.326CS..  trans-100.8103.7176.7-63.7179.8000108.4V249 I255 G258 V260 V275 F284V249-L277 HydrophobicContact CG1-CD1 3.82Å; I255-L277 HydrophobicContact CD1-CD1 3.55Å; I255-L277 HydrophobicContact CG1-CD1 3.83Å; G258-L277 PolarHBondContact O-N 3.38Å; V260-L277 HydrophobicContact CB-CD1 3.88Å; V260-L277 HydrophobicContact CB-CG 4.39Å; V260-L277 HydrophobicContact CG1-CD1 3.69Å; V260-L277 HydrophobicContact CG1-CD2 4.04Å; V260-L277 HydrophobicContact CG1-CG 3.81Å; V275-L277 HydrophobicContact CG1-CD2 4.32Å; L277-F284 HydrophobicContact CB-CD1 4.28Å; L277-F284 HydrophobicContact CB-CE1 3.73Å; L277-F284 HydrophobicContact CB-CE2 4.4Å; L277-F284 HydrophobicContact CB-CZ 3.79Å; L277-F284 HydrophobicContact CD1-CE2 4.38Å; L277-F284 HydrophobicContact CD1-CZ 4.27Å; L277-F284 HydrophobicContact CD2-CD2 4.07Å; L277-F284 HydrophobicContact CD2-CE2 4.03Å; L277-F284 HydrophobicContact CD2-CG 4.35Å; L277-F284 HydrophobicContact CD2-CZ 4.28Å; L277-F284 HydrophobicContact CG-CZ 4.34Å
278N92.9Very high93.2Very high20 Ų2061.9 Ų61.911%0.10732%0.32CS..SBendtrans-155.5175.4177.964.136.5000111.4D149 Q280 D281D149-N278 WeakPolarHBondContact OD2-CA 3.27Å; N278-Q280 PolarHBondContact O-N 2.94Å; N278-Q280 VanDerWaalsContact O-N 3.12Å; N278-Q280 WeakPolarHBondContact OD1-CA 3.12Å; N278-Q280 WeakPolarHBondContact OD1-CB 3.31Å; N278-Q280 WeakPolarHBondContact OD1-CG 3.25Å; N278-Q280 PolarHBondContact OD1-N 3.39Å; N278-D281 PolarHBondContact O-N 2.95Å
279S92.7Very high93.7Very high17 Ų1758.3 Ų58.312%0.11929%0.293CS..THydrogen-bonded Turntrans-56.8-18.4177.850.90000116.1D149 E150 D281D149-S279 WeakPolarHBondContact OD1-CB 3.35Å; D149-S279 PolarHBondContact OD1-N 2.83Å; D149-S279 VanDerWaalsContact OD1-N 3.16Å; D149-S279 PolarHBondContact OD1-OG 3.49Å; D149-S279 PolarHBondContact OD2-N 3.33Å; D149-S279 VanDerWaalsContact OD2-N 3.16Å; E150-S279 VanDerWaalsContact CD-OG 3.27Å; E150-S279 WeakPolarHBondContact CG-OG 3.28Å; S279-D281 VanDerWaalsContact C-N 3.31Å; S279-D281 PolarHBondContact O-N 3.35Å
280Q91.7Very high94.2Very high158 Ų15859.4 Ų59.474%0.73829%0.292SS*.THydrogen-bonded Turntrans-73.3-25.1178.5-54.7-178.5-21.200112.3N278 K282N278-Q280 PolarHBondContact O-N 2.94Å; N278-Q280 VanDerWaalsContact O-N 3.12Å; N278-Q280 WeakPolarHBondContact OD1-CA 3.12Å; N278-Q280 WeakPolarHBondContact OD1-CB 3.31Å; N278-Q280 WeakPolarHBondContact OD1-CG 3.25Å; N278-Q280 PolarHBondContact OD1-N 3.39Å; Q280-K282 PolarHBondContact O-N 3.41Å
281D94.2Very high94.6Very high10 Ų1052.2 Ų52.25%0.05325%0.253CS..SBendtrans-77.4104.7167.4-177.3-22.5000109.2N278 S279 V283 F284 N285 L338 H342N278-D281 PolarHBondContact O-N 2.95Å; S279-D281 VanDerWaalsContact C-N 3.31Å; S279-D281 PolarHBondContact O-N 3.35Å; D281-V283 PolarHBondContact O-N 2.78Å; D281-V283 WeakPolarHBondContact OD1-CA 3.48Å; D281-V283 WeakPolarHBondContact OD1-CB 3.49Å; D281-V283 PolarHBondContact OD1-N 3.24Å; D281-F284 HydrophobicContact CB-CB 3.74Å; D281-F284 PolarHBondContact O-N 3.49Å; D281-F284 PolarHBondContact OD1-N 3.49Å; D281-N285 WeakPolarHBondContact O-CB 3.2Å; D281-N285 PolarHBondContact O-N 3.24Å; D281-L338 HydrophobicContact CB-CD1 4.34Å; D281-L338 VanDerWaalsContact OD2-CD2 3.31Å; D281-L338 WeakPolarHBondContact OD2-CD2 3.45Å; D281-H342 IonicContact OD2-CD2 3.89Å; D281-H342 IonicContact OD2-NE2 3.75Å; D281-H342 PolarHBondContact OD2-NE2 3.14Å
282K92.3Very high94.9Very high139 Ų13946.4 Ų46.460%0.60423%0.228SC*.Hα-helixtrans-62-28.1-179.4-63.2-176.1-178.8-179.90113.5Q280 E286 K302Q280-K282 PolarHBondContact O-N 3.41Å; K282-E286 VanDerWaalsContact O-CD 3.32Å; K282-E286 WeakPolarHBondContact O-CG 3.35Å; K282-K302 PolarHBondContact O-NZ 2.91Å
283V95.2Very high95Very high0 Ų047 Ų470%023%0.232CC..Hα-helixtrans-74.5-51.6176.5-1790000108.5D281 N285 E286 I287 L299 K302 E335 L339 H342D281-V283 PolarHBondContact O-N 2.78Å; D281-V283 WeakPolarHBondContact OD1-CA 3.48Å; D281-V283 WeakPolarHBondContact OD1-CB 3.49Å; D281-V283 PolarHBondContact OD1-N 3.24Å; V283-N285 PolarHBondContact O-N 2.88Å; V283-E286 PolarHBondContact O-N 3.32Å; V283-I287 HydrophobicContact CG1-CD1 4.32Å; V283-I287 WeakPolarHBondContact O-CG1 3.41Å; V283-I287 PolarHBondContact O-N 2.86Å; V283-L299 HydrophobicContact CG1-CD2 3.81Å; V283-K302 HydrophobicContact CG2-CD 4.35Å; V283-E335 HydrophobicContact CG2-CG 3.97Å; V283-L339 HydrophobicContact CG1-CD1 3.94Å; V283-L339 HydrophobicContact CG2-CB 4.13Å; V283-L339 HydrophobicContact CG2-CD1 4.43Å; V283-H342 HydrophobicContact CG1-CB 4.31Å
284F97.1Very high95Very high0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-59-45.4180-175.1-115.4000112.5Y245 E246 L277 D281 E286 I287 R288 H342Y245-F284 HydrophobicContact CD1-CD2 4.19Å; Y245-F284 HydrophobicContact CD1-CE2 4.03Å; Y245-F284 AromaticContact CE1-CD2 3.95Å; Y245-F284 HydrophobicContact CE1-CD2 3.95Å; Y245-F284 HydrophobicContact CE1-CE2 4.02Å; E246-F284 HydrophobicContact CB-CE2 4.34Å; E246-F284 HydrophobicContact CB-CZ 4.06Å; E246-F284 HydrophobicContact CG-CE2 4.44Å; E246-F284 HydrophobicContact CG-CZ 3.76Å; E246-F284 WeakPolarHBondContact OE1-CZ 3.43Å; L277-F284 HydrophobicContact CB-CD1 4.28Å; L277-F284 HydrophobicContact CB-CE1 3.73Å; L277-F284 HydrophobicContact CB-CE2 4.4Å; L277-F284 HydrophobicContact CB-CZ 3.79Å; L277-F284 HydrophobicContact CD1-CE2 4.38Å; L277-F284 HydrophobicContact CD1-CZ 4.27Å; L277-F284 HydrophobicContact CD2-CD2 4.07Å; L277-F284 HydrophobicContact CD2-CE2 4.03Å; L277-F284 HydrophobicContact CD2-CG 4.35Å; L277-F284 HydrophobicContact CD2-CZ 4.28Å; L277-F284 HydrophobicContact CG-CZ 4.34Å; D281-F284 HydrophobicContact CB-CB 3.74Å; D281-F284 PolarHBondContact O-N 3.49Å; D281-F284 PolarHBondContact OD1-N 3.49Å; F284-E286 PolarHBondContact O-N 2.84Å; F284-I287 PolarHBondContact O-N 3.08Å; F284-I287 VanDerWaalsContact O-N 3.11Å; F284-R288 HydrophobicContact CD1-CB 4.3Å; F284-R288 HydrophobicContact CD2-CB 4.16Å; F284-R288 HydrophobicContact CE1-CB 3.96Å; F284-R288 HydrophobicContact CE2-CB 3.81Å; F284-R288 HydrophobicContact CG-CB 4.4Å; F284-R288 HydrophobicContact CZ-CB 3.71Å; F284-R288 VanDerWaalsContact O-CB 3.23Å; F284-R288 WeakPolarHBondContact O-CB 3.47Å; F284-R288 WeakPolarHBondContact O-CG 3.47Å; F284-R288 PolarHBondContact O-N 3.27Å; F284-H342 AromaticContact CD2-CE1 3.61Å
285N96.2Very high95.1Very high67 Ų6742 Ų4236%0.35821%0.21SC..Hα-helixtrans-58.4-32.2-178.3-171.847.6000113.1D281 V283 R288D281-N285 WeakPolarHBondContact O-CB 3.2Å; D281-N285 PolarHBondContact O-N 3.24Å; V283-N285 PolarHBondContact O-N 2.88Å; N285-R288 PolarHBondContact OD1-NE 3.03Å; N285-R288 PolarHBondContact OD1-NH2 2.59Å
286E95.6Very high95Very high83 Ų8346.3 Ų46.339%0.38823%0.228SC..Hα-helixtrans-80.5-28.5179.3-71.5169.6-171.500113.2K282 V283 F284 E290 F298 K302K282-E286 VanDerWaalsContact O-CD 3.32Å; K282-E286 WeakPolarHBondContact O-CG 3.35Å; V283-E286 PolarHBondContact O-N 3.32Å; F284-E286 PolarHBondContact O-N 2.84Å; E286-E290 WeakPolarHBondContact O-CG 3.34Å; E286-F298 HydrophobicContact CB-CE1 3.64Å; E286-F298 HydrophobicContact CB-CZ 3.56Å; E286-F298 HydrophobicContact CG-CE1 4.45Å; E286-F298 HydrophobicContact CG-CZ 4.08Å; E286-F298 WeakPolarHBondContact OE2-CE1 3.23Å; E286-F298 WeakPolarHBondContact OE2-CZ 3.36Å; E286-K302 IonicContact OE1-NZ 3.67Å; E286-K302 PolarHBondContact OE1-NZ 3.38Å; E286-K302 WeakPolarHBondContact OE2-CD 3.37Å; E286-K302 WeakPolarHBondContact OE2-CE 3.4Å; E286-K302 IonicContact OE2-NZ 2.77Å; E286-K302 PolarHBondContact OE2-NZ 2.78Å
287I97.4Very high94.9Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-105.4-21.5-174.266.4-179.1000114.4Y245 V283 F284 N289 E290 V295 F298 L299 H342Y245-I287 WeakPolarHBondContact CB-O 3.42Å; Y245-I287 HydrophobicContact CD1-CD1 3.71Å; Y245-I287 HydrophobicContact CD1-CG1 3.65Å; Y245-I287 HydrophobicContact CD2-CD1 4.46Å; Y245-I287 HydrophobicContact CE1-CD1 3.47Å; Y245-I287 VanDerWaalsContact CE1-CD1 3.47Å; Y245-I287 HydrophobicContact CE1-CG1 3.91Å; Y245-I287 HydrophobicContact CE2-CD1 4.27Å; Y245-I287 HydrophobicContact CG-CD1 4.2Å; Y245-I287 HydrophobicContact CG-CG1 4.15Å; V283-I287 HydrophobicContact CG1-CD1 4.32Å; V283-I287 WeakPolarHBondContact O-CG1 3.41Å; V283-I287 PolarHBondContact O-N 2.86Å; F284-I287 PolarHBondContact O-N 3.08Å; F284-I287 VanDerWaalsContact O-N 3.11Å; I287-N289 VanDerWaalsContact C-N 3.29Å; I287-N289 PolarHBondContact O-N 2.88Å; I287-E290 WeakPolarHBondContact O-CB 3.38Å; I287-E290 PolarHBondContact O-N 3.42Å; I287-V295 HydrophobicContact CB-CG1 4.22Å; I287-V295 HydrophobicContact CD1-CG1 4.25Å; I287-V295 HydrophobicContact CG2-CG1 4.39Å; I287-F298 HydrophobicContact CG2-CB 4.47Å; I287-F298 HydrophobicContact CG2-CD1 3.3Å; I287-F298 HydrophobicContact CG2-CE1 3.77Å; I287-F298 HydrophobicContact CG2-CG 4.07Å; I287-L299 HydrophobicContact CD1-CD2 3.99Å; I287-L299 HydrophobicContact CG2-CD2 4.4Å; I287-H342 HydrophobicContact CD1-CB 4.07Å
288R97.7Very high94.9Very high14 Ų1448.3 Ų48.35%0.05325%0.248CC..THydrogen-bonded Turntrans-55.9-38.7-168.960.1179177.9164.1-4114.8D149 E246 F284 N285D149-R288 IonicContact OD2-CZ 3.26Å; D149-R288 IonicContact OD2-NH1 3.87Å; D149-R288 PolarHBondContact OD2-NH1 3.17Å; D149-R288 IonicContact OD2-NH2 2.78Å; E246-R288 HydrophobicContact CB-CB 3.94Å; E246-R288 WeakPolarHBondContact CB-O 3.26Å; E246-R288 PolarHBondContact N-O 3.3Å; F284-R288 HydrophobicContact CD1-CB 4.3Å; F284-R288 HydrophobicContact CD2-CB 4.16Å; F284-R288 HydrophobicContact CE1-CB 3.96Å; F284-R288 HydrophobicContact CE2-CB 3.81Å; F284-R288 HydrophobicContact CG-CB 4.4Å; F284-R288 HydrophobicContact CZ-CB 3.71Å; F284-R288 VanDerWaalsContact O-CB 3.23Å; F284-R288 WeakPolarHBondContact O-CB 3.47Å; F284-R288 WeakPolarHBondContact O-CG 3.47Å; F284-R288 PolarHBondContact O-N 3.27Å; N285-R288 PolarHBondContact OD1-NE 3.03Å; N285-R288 PolarHBondContact OD1-NH2 2.59Å
289N97.6Very high95Very high31 Ų3147.4 Ų47.417%0.16624%0.243CC..THydrogen-bonded Turntrans-95.1-1.5-178.3-51.4-59000112.3I287 Y509 S578 R581I287-N289 VanDerWaalsContact C-N 3.29Å; I287-N289 PolarHBondContact O-N 2.88Å; N289-Y509 WeakPolarHBondContact O-CE2 3.41Å; N289-Y509 PolarHBondContact O-OH 2.98Å; N289-S578 PolarHBondContact OD1-OG 3.46Å; N289-R581 VanDerWaalsContact OD1-CD 3.22Å; N289-R581 WeakPolarHBondContact OD1-CD 3.48Å; N289-R581 PolarHBondContact OD1-NH1 2.96Å
290E97.7Very high95Very high77 Ų7748.2 Ų48.236%0.3625%0.249SC..SBendtrans-79.9145.5-177.8-68.1-62141.200110.6V244 Y245 E286 I287 F292 V295V244-E290 WeakPolarHBondContact CA-O 3.44Å; Y245-E290 PolarHBondContact N-O 3.01Å; Y245-E290 VanDerWaalsContact N-O 3.08Å; E286-E290 WeakPolarHBondContact O-CG 3.34Å; I287-E290 WeakPolarHBondContact O-CB 3.38Å; I287-E290 PolarHBondContact O-N 3.42Å; E290-F292 PolarHBondContact O-N 3.18Å; E290-V295 HydrophobicContact CB-CG2 4.18Å
291H97.1Very high95.1Very high14 Ų1444.9 Ų44.97%0.06523%0.234CC..BIsolated β-bridgetrans-61.2134.6169.3-172.2-90.1000109.8V243 S293 N294 Y509 S512V243-H291 VanDerWaalsContact CG2-CD2 3.5Å; V243-H291 WeakPolarHBondContact CG2-CD2 3.34Å; V243-H291 WeakPolarHBondContact CG2-NE2 3.34Å; H291-S293 WeakPolarHBondContact ND1-CB 3.45Å; H291-S293 PolarHBondContact ND1-N 3.33Å; H291-S293 PolarHBondContact ND1-OG 2.67Å; H291-S293 PolarHBondContact O-N 3.33Å; H291-S293 VanDerWaalsContact O-N 3.07Å; H291-N294 WeakPolarHBondContact O-CB 3.34Å; H291-N294 PolarHBondContact O-N 2.83Å; H291-Y509 HydrophobicContact CB-CD2 4.38Å; H291-Y509 PolarHBondContact CD2-O 3.3Å; H291-Y509 VanDerWaalsContact CD2-O 3.23Å; H291-S512 PolarHBondContact NE2-OG 3.4Å
292F95.9Very high95.1Very high42 Ų4245.3 Ų45.318%0.18424%0.235CC..Hα-helixtrans-58.1-31.5-169.3-172.3-110.6000114.1V243 Y245 L248 E290 N294 V295 I349 M350V243-F292 VanDerWaalsContact O-CB 3.31Å; V243-F292 WeakPolarHBondContact O-CB 3.38Å; V243-F292 PolarHBondContact O-N 2.87Å; Y245-F292 HydrophobicContact CD2-CD2 4.08Å; Y245-F292 HydrophobicContact CD2-CE2 4.12Å; Y245-F292 HydrophobicContact CE2-CE2 4.45Å; L248-F292 HydrophobicContact CD1-CB 3.41Å; L248-F292 VanDerWaalsContact CD1-CB 3.41Å; L248-F292 HydrophobicContact CD1-CD1 3.84Å; L248-F292 HydrophobicContact CD1-CD2 3.54Å; L248-F292 HydrophobicContact CD1-CE1 4.49Å; L248-F292 HydrophobicContact CD1-CE2 4.25Å; L248-F292 HydrophobicContact CD1-CG 3.3Å; E290-F292 PolarHBondContact O-N 3.18Å; F292-N294 PolarHBondContact O-N 2.72Å; F292-N294 VanDerWaalsContact O-N 3.1Å; F292-V295 HydrophobicContact CD2-CB 4.47Å; F292-V295 HydrophobicContact CD2-CG2 4.36Å; F292-V295 PolarHBondContact O-N 3.48Å; F292-V295 VanDerWaalsContact O-N 3.15Å; F292-I349 HydrophobicContact CE1-CG2 4.01Å; F292-I349 HydrophobicContact CE2-CB 4.34Å; F292-I349 HydrophobicContact CE2-CD1 4.17Å; F292-I349 HydrophobicContact CE2-CG2 3.96Å; F292-I349 HydrophobicContact CZ-CB 3.98Å; F292-I349 HydrophobicContact CZ-CG2 3.58Å; F292-M350 HydrophobicContact CE1-CG 3.76Å; F292-M350 HydrophobicContact CZ-CG 3.91Å
293S93.3Very high95.2Very high75 Ų7540.3 Ų40.352%0.52422%0.22SC..Hα-helixtrans-55.9-27.2175.4650000113.7H291H291-S293 WeakPolarHBondContact ND1-CB 3.45Å; H291-S293 PolarHBondContact ND1-N 3.33Å; H291-S293 PolarHBondContact ND1-OG 2.67Å; H291-S293 PolarHBondContact O-N 3.33Å; H291-S293 VanDerWaalsContact O-N 3.07Å
294N94.3Very high95.2Very high38 Ų3848.2 Ų48.220%0.20325%0.25CC..Hα-helixtrans-94.8-19.2-175.8-57.3-20.6000112.4H291 F292 F296 G297 F298 L501H291-N294 WeakPolarHBondContact O-CB 3.34Å; H291-N294 PolarHBondContact O-N 2.83Å; F292-N294 PolarHBondContact O-N 2.72Å; F292-N294 VanDerWaalsContact O-N 3.1Å; N294-F296 PolarHBondContact O-N 3.01Å; N294-G297 PolarHBondContact O-N 3.33Å; N294-F298 PolarHBondContact O-N 3.05Å; N294-F298 VanDerWaalsContact O-N 3.17Å; N294-L501 PolarHBondContact ND2-O 2.88Å
295V95.8Very high94.9Very high0 Ų052.7 Ų52.70%027%0.273CS..Hα-helixtrans-62.6-45.1-171.4174.80000111.8Y245 I287 E290 F292 G297 F298 L299Y245-V295 HydrophobicContact CD2-CG1 3.8Å; Y245-V295 HydrophobicContact CD2-CG2 4.21Å; Y245-V295 HydrophobicContact CE2-CG1 4.15Å; Y245-V295 HydrophobicContact CG-CG1 4.41Å; Y245-V295 HydrophobicContact CG-CG2 4.37Å; I287-V295 HydrophobicContact CB-CG1 4.22Å; I287-V295 HydrophobicContact CD1-CG1 4.25Å; I287-V295 HydrophobicContact CG2-CG1 4.39Å; E290-V295 HydrophobicContact CB-CG2 4.18Å; F292-V295 HydrophobicContact CD2-CB 4.47Å; F292-V295 HydrophobicContact CD2-CG2 4.36Å; F292-V295 PolarHBondContact O-N 3.48Å; F292-V295 VanDerWaalsContact O-N 3.15Å; V295-G297 VanDerWaalsContact C-N 3.34Å; V295-G297 PolarHBondContact O-N 3.38Å; V295-F298 WeakPolarHBondContact O-CB 3.3Å; V295-F298 PolarHBondContact O-N 3.24Å; V295-F298 VanDerWaalsContact O-N 3.17Å; V295-L299 HydrophobicContact CG1-CD1 3.72Å; V295-L299 HydrophobicContact CG1-CG 4.07Å; V295-L299 WeakPolarHBondContact O-CG 3.18Å; V295-L299 PolarHBondContact O-N 2.86Å
296F91.7Very high94.6Very high104 Ų10450 Ų5046%0.45626%0.259SS..Hα-helixtrans-64.7-39-177.3-172.3-94.5000112.6N294 F298 L299 S300N294-F296 PolarHBondContact O-N 3.01Å; F296-F298 VanDerWaalsContact C-N 3.31Å; F296-F298 PolarHBondContact O-N 3.46Å; F296-L299 PolarHBondContact O-N 3.11Å; F296-S300 WeakPolarHBondContact CE1-OG 3.2Å; F296-S300 VanDerWaalsContact O-CB 3.31Å; F296-S300 WeakPolarHBondContact O-CB 3.34Å; F296-S300 PolarHBondContact O-N 2.84Å; F296-S300 PolarHBondContact O-OG 3.4Å
297G91.9Very high94.3Very high48 Ų4850.4 Ų50.450%0.49526%0.261SS..Hα-helixtrans-61.3-42.6174.500000111.5N294 V295 Q301N294-G297 PolarHBondContact O-N 3.33Å; V295-G297 VanDerWaalsContact C-N 3.34Å; V295-G297 PolarHBondContact O-N 3.38Å; G297-Q301 PolarHBondContact O-N 3.14Å
298F93.9Very high94Very high78 Ų7854.7 Ų54.734%0.34229%0.287SS..Hα-helixtrans-61.9-52.1175.7-170.1-90.1000112.7E286 I287 N294 V295 F296 S300 Q301 K302E286-F298 HydrophobicContact CB-CE1 3.64Å; E286-F298 HydrophobicContact CB-CZ 3.56Å; E286-F298 HydrophobicContact CG-CE1 4.45Å; E286-F298 HydrophobicContact CG-CZ 4.08Å; E286-F298 WeakPolarHBondContact OE2-CE1 3.23Å; E286-F298 WeakPolarHBondContact OE2-CZ 3.36Å; I287-F298 HydrophobicContact CG2-CB 4.47Å; I287-F298 HydrophobicContact CG2-CD1 3.3Å; I287-F298 HydrophobicContact CG2-CE1 3.77Å; I287-F298 HydrophobicContact CG2-CG 4.07Å; N294-F298 PolarHBondContact O-N 3.05Å; N294-F298 VanDerWaalsContact O-N 3.17Å; V295-F298 WeakPolarHBondContact O-CB 3.3Å; V295-F298 PolarHBondContact O-N 3.24Å; V295-F298 VanDerWaalsContact O-N 3.17Å; F296-F298 VanDerWaalsContact C-N 3.31Å; F296-F298 PolarHBondContact O-N 3.46Å; F298-S300 VanDerWaalsContact C-N 3.3Å; F298-S300 PolarHBondContact O-N 3.06Å; F298-Q301 PolarHBondContact O-N 2.98Å; F298-K302 HydrophobicContact CE1-CD 3.92Å; F298-K302 WeakPolarHBondContact O-CB 3.25Å; F298-K302 PolarHBondContact O-N 2.88Å
299L95.6Very high93.5Very high0 Ų055.1 Ų55.10%029%0.294CS..Hα-helixtrans-58.7-42.1178.8-69.4174.4000111.7V283 I287 V295 F296 K302 A303 L339 H342 I343 S346V283-L299 HydrophobicContact CG1-CD2 3.81Å; I287-L299 HydrophobicContact CD1-CD2 3.99Å; I287-L299 HydrophobicContact CG2-CD2 4.4Å; V295-L299 HydrophobicContact CG1-CD1 3.72Å; V295-L299 HydrophobicContact CG1-CG 4.07Å; V295-L299 WeakPolarHBondContact O-CG 3.18Å; V295-L299 PolarHBondContact O-N 2.86Å; F296-L299 PolarHBondContact O-N 3.11Å; L299-K302 PolarHBondContact O-N 3.32Å; L299-A303 WeakPolarHBondContact O-CB 3.4Å; L299-A303 PolarHBondContact O-N 2.88Å; L299-L339 HydrophobicContact CB-CD1 4.45Å; L299-L339 HydrophobicContact CD2-CD1 3.63Å; L299-H342 HydrophobicContact CD2-CB 4.1Å; L299-I343 HydrophobicContact CB-CG1 4.02Å; L299-I343 HydrophobicContact CD1-CG1 4.11Å; L299-I343 HydrophobicContact CG-CG1 4.49Å; L299-S346 WeakPolarHBondContact CD1-OG 3.49Å
300S93.5Very high92.9Very high35 Ų3554.9 Ų54.925%0.24529%0.291CS..Hα-helixtrans-62-43.6176.9-64.90000112.1F296 F298 A303 R304F296-S300 WeakPolarHBondContact CE1-OG 3.2Å; F296-S300 VanDerWaalsContact O-CB 3.31Å; F296-S300 WeakPolarHBondContact O-CB 3.34Å; F296-S300 PolarHBondContact O-N 2.84Å; F296-S300 PolarHBondContact O-OG 3.4Å; F298-S300 VanDerWaalsContact C-N 3.3Å; F298-S300 PolarHBondContact O-N 3.06Å; S300-A303 PolarHBondContact O-N 3.47Å; S300-R304 PolarHBondContact O-N 3.36Å
301Q94.4Very high92.3Very high88 Ų8853.5 Ų53.541%0.41129%0.286SS..Hα-helixtrans-66.6-42.4176.4-174.757.946.200111.4G297 F298 A303 R304 N305G297-Q301 PolarHBondContact O-N 3.14Å; F298-Q301 PolarHBondContact O-N 2.98Å; Q301-A303 VanDerWaalsContact C-N 3.31Å; Q301-A303 PolarHBondContact O-N 3Å; Q301-R304 PolarHBondContact O-N 3.18Å; Q301-N305 PolarHBondContact NE2-OD1 3.48Å; Q301-N305 VanDerWaalsContact O-CG 3.3Å; Q301-N305 PolarHBondContact O-N 3.44Å; Q301-N305 PolarHBondContact O-OD1 3.42Å
302K94.2Very high91.7Very high18 Ų1859.2 Ų59.28%0.07831%0.311CS..Hα-helixtrans-63.1-37.1177.9-165.6154-175.1168.80111.9K282 V283 E286 F298 L299 N305 L306 E335 L339K282-K302 PolarHBondContact O-NZ 2.91Å; V283-K302 HydrophobicContact CG2-CD 4.35Å; E286-K302 IonicContact OE1-NZ 3.67Å; E286-K302 PolarHBondContact OE1-NZ 3.38Å; E286-K302 WeakPolarHBondContact OE2-CD 3.37Å; E286-K302 WeakPolarHBondContact OE2-CE 3.4Å; E286-K302 IonicContact OE2-NZ 2.77Å; E286-K302 PolarHBondContact OE2-NZ 2.78Å; F298-K302 HydrophobicContact CE1-CD 3.92Å; F298-K302 WeakPolarHBondContact O-CB 3.25Å; F298-K302 PolarHBondContact O-N 2.88Å; L299-K302 PolarHBondContact O-N 3.32Å; K302-N305 PolarHBondContact O-N 2.79Å; K302-L306 WeakPolarHBondContact O-CB 3.42Å; K302-L306 PolarHBondContact O-N 2.89Å; K302-E335 WeakPolarHBondContact CE-OE1 3.45Å; K302-E335 IonicContact NZ-OE1 2.79Å; K302-E335 PolarHBondContact NZ-OE1 2.8Å; K302-L339 HydrophobicContact CB-CD1 4.27Å; K302-L339 HydrophobicContact CG-CD1 4.38Å
303A93.6Very high90.9Very high35 Ų3563 Ų6329%0.28932%0.324SS..Hα-helixtrans-60.5-44.7173.400000112.9L299 S300 Q301 L306 Q307 L339L299-A303 WeakPolarHBondContact O-CB 3.4Å; L299-A303 PolarHBondContact O-N 2.88Å; S300-A303 PolarHBondContact O-N 3.47Å; Q301-A303 VanDerWaalsContact C-N 3.31Å; Q301-A303 PolarHBondContact O-N 3Å; A303-L306 PolarHBondContact O-N 2.95Å; A303-Q307 WeakPolarHBondContact O-CB 3.17Å; A303-Q307 PolarHBondContact O-N 3.46Å; A303-L339 HydrophobicContact CB-CD2 3.87Å
304R93.9Very high90.3Very high165 Ų16567.9 Ų67.962%0.62333%0.33SS*.Hα-helixtrans-64-42176.6-66.4175-170.9165.90.7112.1S300 Q301 Q307 T308S300-R304 PolarHBondContact O-N 3.36Å; Q301-R304 PolarHBondContact O-N 3.18Å; R304-Q307 PolarHBondContact O-N 2.84Å; R304-T308 PolarHBondContact O-N 3.12Å; R304-T308 PolarHBondContact O-OG1 3.27Å
305N91.5Very high89.6Confident94 Ų9470 Ų7050%0.50336%0.361SS..Hα-helixtrans-63.2-43.9177.5-66.9-5.9000111.1Q301 K302 T308 A309Q301-N305 PolarHBondContact NE2-OD1 3.48Å; Q301-N305 VanDerWaalsContact O-CG 3.3Å; Q301-N305 PolarHBondContact O-N 3.44Å; Q301-N305 PolarHBondContact O-OD1 3.42Å; K302-N305 PolarHBondContact O-N 2.79Å; N305-T308 WeakPolarHBondContact O-CB 3.26Å; N305-T308 PolarHBondContact O-N 3.13Å; N305-A309 PolarHBondContact O-N 3.43Å
306L90.2Very high89.3Confident11 Ų1172.2 Ų72.26%0.05837%0.373CS..Hα-helixtrans-64.8-42.9178.2-159.480.8000111.7K302 A303 T308 A309 Y310 L332 E335 H336 L339K302-L306 WeakPolarHBondContact O-CB 3.42Å; K302-L306 PolarHBondContact O-N 2.89Å; A303-L306 PolarHBondContact O-N 2.95Å; L306-T308 VanDerWaalsContact C-N 3.3Å; L306-T308 PolarHBondContact O-N 2.96Å; L306-A309 WeakPolarHBondContact O-CB 3.36Å; L306-A309 PolarHBondContact O-N 3.4Å; L306-A309 VanDerWaalsContact O-N 3.13Å; L306-Y310 HydrophobicContact CD2-CE2 4.38Å; L306-Y310 HydrophobicContact CG-CD2 4.34Å; L306-Y310 HydrophobicContact CG-CE2 4.29Å; L306-Y310 WeakPolarHBondContact O-CD2 3.44Å; L306-Y310 PolarHBondContact O-N 3.35Å; L306-L332 HydrophobicContact CD1-CD2 3.95Å; L306-E335 HydrophobicContact CD1-CB 4.2Å; L306-E335 HydrophobicContact CD1-CG 3.97Å; L306-H336 HydrophobicContact CD2-CB 3.54Å; L306-L339 HydrophobicContact CD2-CD2 4.15Å
307Q89.8Confident89.2Confident92 Ų9271.1 Ų71.143%0.4337%0.371SS..Hα-helixtrans-58.9-43.5175.2-17756.551.300111.2A303 R304 A309 Y310 D311A303-Q307 WeakPolarHBondContact O-CB 3.17Å; A303-Q307 PolarHBondContact O-N 3.46Å; R304-Q307 PolarHBondContact O-N 2.84Å; Q307-A309 VanDerWaalsContact C-N 3.32Å; Q307-A309 PolarHBondContact O-N 2.82Å; Q307-Y310 WeakPolarHBondContact O-CB 3.38Å; Q307-Y310 PolarHBondContact O-N 3.03Å; Q307-Y310 VanDerWaalsContact O-N 3.17Å; Q307-D311 PolarHBondContact NE2-OD2 2.95Å; Q307-D311 PolarHBondContact O-N 2.6Å
308T90.3Very high89Confident89 Ų8976.4 Ų76.455%0.54639%0.387SS..Hα-helixtrans-60.3-41.9175.1-54.40000111.5R304 N305 L306 Y310 D311 K312R304-T308 PolarHBondContact O-N 3.12Å; R304-T308 PolarHBondContact O-OG1 3.27Å; N305-T308 WeakPolarHBondContact O-CB 3.26Å; N305-T308 PolarHBondContact O-N 3.13Å; L306-T308 VanDerWaalsContact C-N 3.3Å; L306-T308 PolarHBondContact O-N 2.96Å; T308-Y310 VanDerWaalsContact C-N 3.34Å; T308-Y310 PolarHBondContact O-N 3.19Å; T308-D311 PolarHBondContact O-N 3.38Å; T308-K312 PolarHBondContact O-N 2.95Å
309A86.5Confident88.8Confident23 Ų2380 Ų8019%0.1941%0.405CS..Hα-helixtrans-63.8-37.9175.900000112.4N305 L306 Q307 K312 L332N305-A309 PolarHBondContact O-N 3.43Å; L306-A309 WeakPolarHBondContact O-CB 3.36Å; L306-A309 PolarHBondContact O-N 3.4Å; L306-A309 VanDerWaalsContact O-N 3.13Å; Q307-A309 VanDerWaalsContact C-N 3.32Å; Q307-A309 PolarHBondContact O-N 2.82Å; A309-K312 WeakPolarHBondContact O-CB 3.28Å; A309-K312 PolarHBondContact O-N 3.21Å; A309-L332 HydrophobicContact CB-CD1 4.47Å; A309-L332 HydrophobicContact CB-CD2 4Å
310Y85.1Confident88.5Confident26 Ų2684.8 Ų84.810%0.10243%0.427CS..Hα-helixtrans-65.5-39.7172.4-93.1-82.2000112.8L306 Q307 T308 K312 R313 L329 L332 K333 H336L306-Y310 HydrophobicContact CD2-CE2 4.38Å; L306-Y310 HydrophobicContact CG-CD2 4.34Å; L306-Y310 HydrophobicContact CG-CE2 4.29Å; L306-Y310 WeakPolarHBondContact O-CD2 3.44Å; L306-Y310 PolarHBondContact O-N 3.35Å; Q307-Y310 WeakPolarHBondContact O-CB 3.38Å; Q307-Y310 PolarHBondContact O-N 3.03Å; Q307-Y310 VanDerWaalsContact O-N 3.17Å; T308-Y310 VanDerWaalsContact C-N 3.34Å; T308-Y310 PolarHBondContact O-N 3.19Å; Y310-K312 PolarHBondContact O-N 3.37Å; Y310-R313 WeakPolarHBondContact O-CB 3.4Å; Y310-R313 WeakPolarHBondContact O-CD 3.33Å; Y310-R313 WeakPolarHBondContact O-CG 3.36Å; Y310-R313 PolarHBondContact O-N 3.06Å; Y310-L329 HydrophobicContact CE1-CD1 3.94Å; Y310-L332 HydrophobicContact CE2-CB 3.9Å; Y310-L332 PolarHBondContact OH-O 2.61Å; Y310-K333 WeakPolarHBondContact OH-CA 3.43Å; Y310-K333 VanDerWaalsContact OH-CG 3.22Å; Y310-K333 WeakPolarHBondContact OH-CG 3.45Å; Y310-K333 PolarHBondContact OH-N 3.26Å; Y310-K333 VanDerWaalsContact OH-N 3.1Å; Y310-H336 HydrophobicContact CE2-CB 4.29Å
311D86.8Confident88.3Confident48 Ų4886.5 Ų86.526%0.25743%0.432SS..Hα-helixtrans-69.9-18.4-178.2-75.4-42.9000113.2Q307 T308 R313 R314Q307-D311 PolarHBondContact NE2-OD2 2.95Å; Q307-D311 PolarHBondContact O-N 2.6Å; T308-D311 PolarHBondContact O-N 3.38Å; D311-R313 PolarHBondContact O-N 3.07Å; D311-R313 VanDerWaalsContact O-N 3.07Å; D311-R314 VanDerWaalsContact O-CB 3.31Å; D311-R314 WeakPolarHBondContact O-CB 3.26Å; D311-R314 WeakPolarHBondContact O-CG 3.06Å; D311-R314 PolarHBondContact O-N 3.18Å; D311-R314 IonicContact OD1-CZ 2.74Å; D311-R314 VanDerWaalsContact OD1-CZ 3.23Å; D311-R314 IonicContact OD1-NE 2.64Å; D311-R314 PolarHBondContact OD1-NE 3.32Å; D311-R314 IonicContact OD1-NH2 3.98Å; D311-R314 PolarHBondContact OD1-NH2 3.09Å
312K83.1Confident88Confident135 Ų13590 Ų9059%0.58745%0.446SS*.THydrogen-bonded Turntrans-55.6-23.4170-67.5-178.7-179.9-179.60113.5T308 A309 Y310 R314 M316T308-K312 PolarHBondContact O-N 2.95Å; A309-K312 WeakPolarHBondContact O-CB 3.28Å; A309-K312 PolarHBondContact O-N 3.21Å; Y310-K312 PolarHBondContact O-N 3.37Å; K312-R314 PolarHBondContact O-N 3.1Å; K312-M316 HydrophobicContact CB-CE 4.02Å; K312-M316 VanDerWaalsContact O-CE 3.26Å; K312-M316 WeakPolarHBondContact O-CE 3.44Å; K312-M316 WeakPolarHBondContact O-CG 3.47Å
313R79Confident87.7Confident121 Ų12191.7 Ų91.746%0.45746%0.457SS..THydrogen-bonded Turntrans-61.4-21.6174.379.3-167.3175.5173.9-1.8112.9Y310 D311 G315 M321 F324Y310-R313 WeakPolarHBondContact O-CB 3.4Å; Y310-R313 WeakPolarHBondContact O-CD 3.33Å; Y310-R313 WeakPolarHBondContact O-CG 3.36Å; Y310-R313 PolarHBondContact O-N 3.06Å; D311-R313 PolarHBondContact O-N 3.07Å; D311-R313 VanDerWaalsContact O-N 3.07Å; R313-G315 PolarHBondContact O-N 2.97Å; R313-M321 WeakPolarHBondContact O-CE 3.5Å; R313-F324 HydrophobicContact CB-CE1 4.08Å; R313-F324 HydrophobicContact CB-CZ 4.38Å
314R80.7Confident87.5Confident177 Ų17790.2 Ų90.267%0.66845%0.445SS*.THydrogen-bonded Turntrans-78.6114178.7-56.8-178.3-163.4-153.96.4108.1D311 K312D311-R314 VanDerWaalsContact O-CB 3.31Å; D311-R314 WeakPolarHBondContact O-CB 3.26Å; D311-R314 WeakPolarHBondContact O-CG 3.06Å; D311-R314 PolarHBondContact O-N 3.18Å; D311-R314 IonicContact OD1-CZ 2.74Å; D311-R314 VanDerWaalsContact OD1-CZ 3.23Å; D311-R314 IonicContact OD1-NE 2.64Å; D311-R314 PolarHBondContact OD1-NE 3.32Å; D311-R314 IonicContact OD1-NH2 3.98Å; D311-R314 PolarHBondContact OD1-NH2 3.09Å; K312-R314 PolarHBondContact O-N 3.1Å
315G80.6Confident87.2Confident83 Ų8386.1 Ų86.186%0.85644%0.438SS*.THydrogen-bonded Turntrans94.410.7176.700000115.7R313R313-G315 PolarHBondContact O-N 2.97Å
316M88.2Confident87Confident47 Ų4785.5 Ų85.523%0.23244%0.441CS..  trans-72.1143.3169.4-68.1-177.8174.500111.3K312 Q320 M321 F324K312-M316 HydrophobicContact CB-CE 4.02Å; K312-M316 VanDerWaalsContact O-CE 3.26Å; K312-M316 WeakPolarHBondContact O-CE 3.44Å; K312-M316 WeakPolarHBondContact O-CG 3.47Å; M316-Q320 HydrophobicContact CB-CB 3.93Å; M316-Q320 HydrophobicContact CG-CB 4.24Å; M316-M321 HydrophobicContact CB-CB 4.43Å; M316-M321 HydrophobicContact CB-CE 4.2Å; M316-F324 HydrophobicContact CE-CB 4Å; M316-F324 HydrophobicContact CE-CD2 3.69Å; M316-F324 HydrophobicContact CE-CE2 4.35Å; M316-F324 HydrophobicContact CE-CG 3.88Å; M316-F324 HydrophobicContact SD-CB 3.7Å; M316-F324 HydrophobicContact SD-CD1 4.47Å; M316-F324 HydrophobicContact SD-CD2 4.37Å; M316-F324 HydrophobicContact SD-CG 3.94Å
317D90.5Very high86.9Confident81 Ų8191.8 Ų91.843%0.43347%0.47SS..  trans-72.2174.2165.872.142.8000111.7Q319 Q320 M321D317-Q319 VanDerWaalsContact C-N 3.3Å; D317-Q319 PolarHBondContact O-N 3.46Å; D317-Q319 WeakPolarHBondContact OD1-CA 3.32Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.43Å; D317-Q319 PolarHBondContact OD1-N 2.86Å; D317-Q320 PolarHBondContact O-N 3.3Å; D317-Q320 WeakPolarHBondContact OD1-CG 3.2Å; D317-Q320 PolarHBondContact OD1-N 2.99Å; D317-M321 VanDerWaalsContact O-CB 3.25Å; D317-M321 WeakPolarHBondContact O-CB 3.31Å; D317-M321 PolarHBondContact O-N 2.97Å
318I88.4Confident86.8Confident159 Ų15991.8 Ų91.882%0.81547%0.47SS*.Hα-helixtrans-62-36.7-176.5-67.1164.4000112.2K322I318-K322 WeakPolarHBondContact O-CB 3.37Å; I318-K322 PolarHBondContact O-N 3.34Å
319Q88.9Confident86.7Confident154 Ų15489.1 Ų89.172%0.7245%0.452SS*.Hα-helixtrans-73-44.8-178.5-175.2173.6-7.300110.6D317 K322 T323D317-Q319 VanDerWaalsContact C-N 3.3Å; D317-Q319 PolarHBondContact O-N 3.46Å; D317-Q319 WeakPolarHBondContact OD1-CA 3.32Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.43Å; D317-Q319 PolarHBondContact OD1-N 2.86Å; Q319-K322 WeakPolarHBondContact O-CB 3.45Å; Q319-K322 PolarHBondContact O-N 3.37Å; Q319-T323 PolarHBondContact O-N 3.31Å; Q319-T323 PolarHBondContact O-OG1 3.05Å
320Q89.3Confident86.8Confident100 Ų10096.1 Ų96.147%0.46748%0.478SS..Hα-helixtrans-61.9-42.1174.2-68.2173-2000111.7M316 D317 K322 T323 F324M316-Q320 HydrophobicContact CB-CB 3.93Å; M316-Q320 HydrophobicContact CG-CB 4.24Å; D317-Q320 PolarHBondContact O-N 3.3Å; D317-Q320 WeakPolarHBondContact OD1-CG 3.2Å; D317-Q320 PolarHBondContact OD1-N 2.99Å; Q320-K322 VanDerWaalsContact C-N 3.32Å; Q320-K322 PolarHBondContact O-N 3.12Å; Q320-T323 PolarHBondContact O-N 2.85Å; Q320-F324 WeakPolarHBondContact O-CB 3.45Å; Q320-F324 PolarHBondContact O-N 3.3Å
321M88.7Confident87Confident71 Ų7196.8 Ų96.835%0.3549%0.493SS..Hα-helixtrans-62.7-40.8176.1-175.862.47100111.3R313 M316 D317 F324 V325R313-M321 WeakPolarHBondContact O-CE 3.5Å; M316-M321 HydrophobicContact CB-CB 4.43Å; M316-M321 HydrophobicContact CB-CE 4.2Å; D317-M321 VanDerWaalsContact O-CB 3.25Å; D317-M321 WeakPolarHBondContact O-CB 3.31Å; D317-M321 PolarHBondContact O-N 2.97Å; M321-F324 PolarHBondContact O-N 2.98Å; M321-V325 HydrophobicContact CG-CG2 4.46Å; M321-V325 WeakPolarHBondContact O-CB 3.41Å; M321-V325 VanDerWaalsContact O-CG2 3.28Å; M321-V325 WeakPolarHBondContact O-CG2 3.22Å; M321-V325 PolarHBondContact O-N 2.92Å; M321-V325 HydrophobicContact SD-CG2 4.16Å
322K87.9Confident87.2Confident161 Ų16195.6 Ų95.670%0.749%0.486SS*.Hα-helixtrans-59.9-50.8175.2-175.9-178.5176.6-1760110.6I318 Q319 Q320 V325 S326I318-K322 WeakPolarHBondContact O-CB 3.37Å; I318-K322 PolarHBondContact O-N 3.34Å; Q319-K322 WeakPolarHBondContact O-CB 3.45Å; Q319-K322 PolarHBondContact O-N 3.37Å; Q320-K322 VanDerWaalsContact C-N 3.32Å; Q320-K322 PolarHBondContact O-N 3.12Å; K322-V325 PolarHBondContact O-N 3.31Å; K322-S326 WeakPolarHBondContact O-CB 3.48Å; K322-S326 PolarHBondContact O-N 3.43Å; K322-S326 PolarHBondContact O-OG 2.97Å
323T88.6Confident87.5Confident53 Ų5395.1 Ų95.133%0.32548%0.484SS..Hα-helixtrans-58.6-47.8177.5-60.80000111.8Q319 Q320 V325 S326 E327Q319-T323 PolarHBondContact O-N 3.31Å; Q319-T323 PolarHBondContact O-OG1 3.05Å; Q320-T323 PolarHBondContact O-N 2.85Å; T323-V325 PolarHBondContact O-N 3.46Å; T323-S326 WeakPolarHBondContact CA-OG 3.48Å; T323-S326 PolarHBondContact O-N 3.34Å; T323-S326 PolarHBondContact O-OG 3.44Å; T323-E327 WeakPolarHBondContact O-CB 3.38Å; T323-E327 PolarHBondContact O-N 3.34Å
324F89.1Confident88.1Confident5 Ų594.9 Ų94.92%0.02249%0.488CS..Iπ-helixtrans-59-45.6178.8176.5-98.7000112.4R313 M316 Q320 M321 E328 L329 L332R313-F324 HydrophobicContact CB-CE1 4.08Å; R313-F324 HydrophobicContact CB-CZ 4.38Å; M316-F324 HydrophobicContact CE-CB 4Å; M316-F324 HydrophobicContact CE-CD2 3.69Å; M316-F324 HydrophobicContact CE-CE2 4.35Å; M316-F324 HydrophobicContact CE-CG 3.88Å; M316-F324 HydrophobicContact SD-CB 3.7Å; M316-F324 HydrophobicContact SD-CD1 4.47Å; M316-F324 HydrophobicContact SD-CD2 4.37Å; M316-F324 HydrophobicContact SD-CG 3.94Å; Q320-F324 WeakPolarHBondContact O-CB 3.45Å; Q320-F324 PolarHBondContact O-N 3.3Å; M321-F324 PolarHBondContact O-N 2.98Å; F324-E328 HydrophobicContact CD2-CB 3.91Å; F324-E328 HydrophobicContact CE2-CB 4.2Å; F324-E328 PolarHBondContact O-N 3.03Å; F324-L329 HydrophobicContact CD1-CB 4.43Å; F324-L329 HydrophobicContact CE1-CB 4.13Å; F324-L329 HydrophobicContact CE1-CD1 4Å; F324-L329 HydrophobicContact CZ-CD1 4.3Å; F324-L329 WeakPolarHBondContact O-CB 3.43Å; F324-L329 PolarHBondContact O-N 2.98Å; F324-L332 HydrophobicContact CE2-CD1 3.69Å; F324-L332 HydrophobicContact CZ-CD1 3.9Å
325V88Confident88.6Confident79 Ų7988.4 Ų88.448%0.47947%0.465SS..Iπ-helixtrans-67.8-39.3179.1171.70000111.5M321 K322 T323 L329M321-V325 HydrophobicContact CG-CG2 4.46Å; M321-V325 WeakPolarHBondContact O-CB 3.41Å; M321-V325 VanDerWaalsContact O-CG2 3.28Å; M321-V325 WeakPolarHBondContact O-CG2 3.22Å; M321-V325 PolarHBondContact O-N 2.92Å; M321-V325 HydrophobicContact SD-CG2 4.16Å; K322-V325 PolarHBondContact O-N 3.31Å; T323-V325 PolarHBondContact O-N 3.46Å; V325-L329 HydrophobicContact CG1-CD2 4.49Å; V325-L329 HydrophobicContact CG2-CD2 4.32Å
326S87.8Confident89.1Confident80 Ų8088.8 Ų88.856%0.55945%0.445SS*.Iπ-helixtrans-77.6-34.8-177.656.70000113.9K322 T323K322-S326 WeakPolarHBondContact O-CB 3.48Å; K322-S326 PolarHBondContact O-N 3.43Å; K322-S326 PolarHBondContact O-OG 2.97Å; T323-S326 WeakPolarHBondContact CA-OG 3.48Å; T323-S326 PolarHBondContact O-N 3.34Å; T323-S326 PolarHBondContact O-OG 3.44Å
327E87.3Confident89.3Confident143 Ų14393.3 Ų93.367%0.66846%0.459SS*.Iπ-helixtrans-112-37.2-167.4-63.8175-163.700113.4T323T323-E327 WeakPolarHBondContact O-CB 3.38Å; T323-E327 PolarHBondContact O-N 3.34Å
328E88.3Confident89.5Confident93 Ų9390.8 Ų90.844%0.43545%0.445SS..Iπ-helixtrans-105.9-42.2-169-64.1-178.4-136.600113.6F324 K330 G331 L332F324-E328 HydrophobicContact CD2-CB 3.91Å; F324-E328 HydrophobicContact CE2-CB 4.2Å; F324-E328 PolarHBondContact O-N 3.03Å; E328-K330 VanDerWaalsContact C-N 3.29Å; E328-K330 PolarHBondContact O-N 3.23Å; E328-G331 PolarHBondContact O-N 3.36Å; E328-G331 VanDerWaalsContact O-N 3.09Å; E328-L332 HydrophobicContact CB-CD1 4.45Å; E328-L332 PolarHBondContact O-N 3.41Å
329L88Confident89.8Confident33 Ų3383.5 Ų83.517%0.17341%0.408CS..Hα-helixtrans-59.3-37.2-168.3178.661.5000113.1Y310 F324 V325 L332 K333Y310-L329 HydrophobicContact CE1-CD1 3.94Å; F324-L329 HydrophobicContact CD1-CB 4.43Å; F324-L329 HydrophobicContact CE1-CB 4.13Å; F324-L329 HydrophobicContact CE1-CD1 4Å; F324-L329 HydrophobicContact CZ-CD1 4.3Å; F324-L329 WeakPolarHBondContact O-CB 3.43Å; F324-L329 PolarHBondContact O-N 2.98Å; V325-L329 HydrophobicContact CG1-CD2 4.49Å; V325-L329 HydrophobicContact CG2-CD2 4.32Å; L329-L332 PolarHBondContact O-N 3.31Å; L329-K333 HydrophobicContact CD1-CD 4.41Å; L329-K333 HydrophobicContact CD1-CG 4.18Å; L329-K333 HydrophobicContact CG-CD 4.35Å; L329-K333 HydrophobicContact CG-CG 4.5Å; L329-K333 WeakPolarHBondContact O-CB 3.42Å; L329-K333 WeakPolarHBondContact O-CG 3.2Å; L329-K333 PolarHBondContact O-N 3.3Å
330K89.8Confident90.1Very high170 Ų17079.1 Ų79.174%0.73939%0.394SS*.Hα-helixtrans-63.4-45.4178.9-174.7-177.9176-174.30111.2E328 K333 Q334E328-K330 VanDerWaalsContact C-N 3.29Å; E328-K330 PolarHBondContact O-N 3.23Å; K330-K333 PolarHBondContact O-N 3.24Å; K330-Q334 PolarHBondContact O-N 2.87Å; K330-Q334 VanDerWaalsContact O-N 3.11Å
331G89.2Confident90.3Very high39 Ų3975 Ų7540%0.40238%0.376SS..Hα-helixtrans-63.7-47.2177.200000111.6E328 K333 Q334 E335E328-G331 PolarHBondContact O-N 3.36Å; E328-G331 VanDerWaalsContact O-N 3.09Å; G331-K333 VanDerWaalsContact C-N 3.31Å; G331-K333 PolarHBondContact O-N 3.42Å; G331-Q334 PolarHBondContact O-N 3.46Å; G331-E335 WeakPolarHBondContact O-CB 3.24Å; G331-E335 PolarHBondContact O-N 3.11Å
332L89.2Confident90.7Very high23 Ų2371.8 Ų71.812%0.1236%0.36CS..Hα-helixtrans-60.8-36.5177.3-69.8173.8000112.9L306 A309 Y310 F324 E328 L329 H336L306-L332 HydrophobicContact CD1-CD2 3.95Å; A309-L332 HydrophobicContact CB-CD1 4.47Å; A309-L332 HydrophobicContact CB-CD2 4Å; Y310-L332 HydrophobicContact CE2-CB 3.9Å; Y310-L332 PolarHBondContact OH-O 2.61Å; F324-L332 HydrophobicContact CE2-CD1 3.69Å; F324-L332 HydrophobicContact CZ-CD1 3.9Å; E328-L332 HydrophobicContact CB-CD1 4.45Å; E328-L332 PolarHBondContact O-N 3.41Å; L329-L332 PolarHBondContact O-N 3.31Å; L332-H336 VanDerWaalsContact O-CB 3.29Å; L332-H336 WeakPolarHBondContact O-CB 3.17Å; L332-H336 PolarHBondContact O-N 2.81Å
333K90.3Very high91.1Very high125 Ų12566 Ų6654%0.54334%0.336SS..Hα-helixtrans-67.1-42.7174.9-80.4-176.5177.9-176.10112.3Y310 L329 K330 G331 R337Y310-K333 WeakPolarHBondContact OH-CA 3.43Å; Y310-K333 VanDerWaalsContact OH-CG 3.22Å; Y310-K333 WeakPolarHBondContact OH-CG 3.45Å; Y310-K333 PolarHBondContact OH-N 3.26Å; Y310-K333 VanDerWaalsContact OH-N 3.1Å; L329-K333 HydrophobicContact CD1-CD 4.41Å; L329-K333 HydrophobicContact CD1-CG 4.18Å; L329-K333 HydrophobicContact CG-CD 4.35Å; L329-K333 HydrophobicContact CG-CG 4.5Å; L329-K333 WeakPolarHBondContact O-CB 3.42Å; L329-K333 WeakPolarHBondContact O-CG 3.2Å; L329-K333 PolarHBondContact O-N 3.3Å; K330-K333 PolarHBondContact O-N 3.24Å; G331-K333 VanDerWaalsContact C-N 3.31Å; G331-K333 PolarHBondContact O-N 3.42Å; K333-R337 PolarHBondContact O-N 3.34Å; K333-R337 VanDerWaalsContact O-N 3.07Å
334Q91.1Very high91.5Very high117 Ų11764.3 Ų64.355%0.54733%0.326SS..Hα-helixtrans-64.1-47.5177.2-179.2175.4-5.600110.9K330 G331 H336 R337 L338K330-Q334 PolarHBondContact O-N 2.87Å; K330-Q334 VanDerWaalsContact O-N 3.11Å; G331-Q334 PolarHBondContact O-N 3.46Å; Q334-H336 PolarHBondContact O-N 3.33Å; Q334-R337 PolarHBondContact O-N 2.83Å; Q334-L338 HydrophobicContact CG-CD1 3.87Å; Q334-L338 WeakPolarHBondContact O-CG 3.43Å; Q334-L338 PolarHBondContact O-N 3.5Å
335E91.8Very high91.8Very high40 Ų4064 Ų6419%0.18733%0.325CS..Hα-helixtrans-63.3-40178.6-169.6167.7-179.600111.8V283 K302 L306 G331 R337 L338 L339V283-E335 HydrophobicContact CG2-CG 3.97Å; K302-E335 WeakPolarHBondContact CE-OE1 3.45Å; K302-E335 IonicContact NZ-OE1 2.79Å; K302-E335 PolarHBondContact NZ-OE1 2.8Å; L306-E335 HydrophobicContact CD1-CB 4.2Å; L306-E335 HydrophobicContact CD1-CG 3.97Å; G331-E335 WeakPolarHBondContact O-CB 3.24Å; G331-E335 PolarHBondContact O-N 3.11Å; E335-R337 VanDerWaalsContact C-N 3.34Å; E335-R337 PolarHBondContact O-N 2.93Å; E335-L338 PolarHBondContact O-N 2.73Å; E335-L339 WeakPolarHBondContact O-CB 3.19Å; E335-L339 PolarHBondContact O-N 3.5Å
336H92.1Very high92.2Very high91 Ų9160.3 Ų60.342%0.42130%0.303SS..Hα-helixtrans-58.6-45172.9-172.3-71000112.3L306 Y310 L332 Q334 S340L306-H336 HydrophobicContact CD2-CB 3.54Å; Y310-H336 HydrophobicContact CE2-CB 4.29Å; L332-H336 VanDerWaalsContact O-CB 3.29Å; L332-H336 WeakPolarHBondContact O-CB 3.17Å; L332-H336 PolarHBondContact O-N 2.81Å; Q334-H336 PolarHBondContact O-N 3.33Å; H336-S340 WeakPolarHBondContact O-CB 3.45Å; H336-S340 PolarHBondContact O-N 3.29Å
337R92.4Very high92.5Very high143 Ų14360.6 Ų60.654%0.5430%0.295SS..Hα-helixtrans-63-47.7179.2177.1-177.8171.2-177.6-1.5111.2K333 Q334 E335 S340 L341K333-R337 PolarHBondContact O-N 3.34Å; K333-R337 VanDerWaalsContact O-N 3.07Å; Q334-R337 PolarHBondContact O-N 2.83Å; E335-R337 VanDerWaalsContact C-N 3.34Å; E335-R337 PolarHBondContact O-N 2.93Å; R337-S340 PolarHBondContact O-N 2.89Å; R337-L341 HydrophobicContact CG-CD1 4.35Å; R337-L341 WeakPolarHBondContact O-CG 3.45Å; R337-L341 PolarHBondContact O-N 2.82Å
338L93.3Very high92.8Very high27 Ų2754 Ų5414%0.14127%0.265CS..Hα-helixtrans-66.4-41.2-179.2-66.4164.4000111.1D281 Q334 E335 S340 L341 H342D281-L338 HydrophobicContact CB-CD1 4.34Å; D281-L338 VanDerWaalsContact OD2-CD2 3.31Å; D281-L338 WeakPolarHBondContact OD2-CD2 3.45Å; Q334-L338 HydrophobicContact CG-CD1 3.87Å; Q334-L338 WeakPolarHBondContact O-CG 3.43Å; Q334-L338 PolarHBondContact O-N 3.5Å; E335-L338 PolarHBondContact O-N 2.73Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 2.95Å; L338-L341 HydrophobicContact CD2-CD1 4.44Å; L338-L341 WeakPolarHBondContact O-CB 3.39Å; L338-L341 PolarHBondContact O-N 3.28Å; L338-H342 PolarHBondContact O-CD2 2.71Å; L338-H342 PolarHBondContact O-N 3Å
339L95.3Very high93Very high7 Ų749.7 Ų49.74%0.03725%0.245CC..Hα-helixtrans-57.1-47.5173.4-178.365.1000112V283 L299 K302 A303 L306 E335 L341 H342 I343V283-L339 HydrophobicContact CG1-CD1 3.94Å; V283-L339 HydrophobicContact CG2-CB 4.13Å; V283-L339 HydrophobicContact CG2-CD1 4.43Å; L299-L339 HydrophobicContact CB-CD1 4.45Å; L299-L339 HydrophobicContact CD2-CD1 3.63Å; K302-L339 HydrophobicContact CB-CD1 4.27Å; K302-L339 HydrophobicContact CG-CD1 4.38Å; A303-L339 HydrophobicContact CB-CD2 3.87Å; L306-L339 HydrophobicContact CD2-CD2 4.15Å; E335-L339 WeakPolarHBondContact O-CB 3.19Å; E335-L339 PolarHBondContact O-N 3.5Å; L339-L341 VanDerWaalsContact C-N 3.32Å; L339-L341 PolarHBondContact O-N 3.01Å; L339-H342 PolarHBondContact O-N 3.43Å; L339-I343 HydrophobicContact CD1-CD1 4.34Å; L339-I343 HydrophobicContact CG-CD1 4.05Å; L339-I343 WeakPolarHBondContact O-CG1 3.22Å; L339-I343 PolarHBondContact O-N 2.86Å
340S94.4Very high93.2Very high61 Ų6153.4 Ų53.443%0.42726%0.263SS..Hα-helixtrans-59.4-43.1176.7-171.40000111.8H336 R337 L338 I343 S344H336-S340 WeakPolarHBondContact O-CB 3.45Å; H336-S340 PolarHBondContact O-N 3.29Å; R337-S340 PolarHBondContact O-N 2.89Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 2.95Å; S340-I343 PolarHBondContact O-N 3.49Å; S340-S344 PolarHBondContact O-N 3.34Å; S340-S344 PolarHBondContact O-OG 3.28Å
341L94.9Very high93.2Very high15 Ų1552.5 Ų52.58%0.07926%0.259CS..Hα-helixtrans-61.9-44.4177.2-72.9167.6000111.6V266 L273 V275 R337 L338 L339 S344 A345V266-L341 HydrophobicContact CG1-CD2 4.29Å; L273-L341 HydrophobicContact CD2-CD1 3.77Å; L273-L341 HydrophobicContact CD2-CD2 4.04Å; V275-L341 HydrophobicContact CG2-CD1 4.23Å; R337-L341 HydrophobicContact CG-CD1 4.35Å; R337-L341 WeakPolarHBondContact O-CG 3.45Å; R337-L341 PolarHBondContact O-N 2.82Å; L338-L341 HydrophobicContact CD2-CD1 4.44Å; L338-L341 WeakPolarHBondContact O-CB 3.39Å; L338-L341 PolarHBondContact O-N 3.28Å; L339-L341 VanDerWaalsContact C-N 3.32Å; L339-L341 PolarHBondContact O-N 3.01Å; L341-S344 PolarHBondContact O-N 3.45Å; L341-A345 VanDerWaalsContact O-CB 3.3Å; L341-A345 WeakPolarHBondContact O-CB 3.38Å; L341-A345 PolarHBondContact O-N 3.15Å
342H96.7Very high93.2Very high2 Ų255.6 Ų55.61%0.00926%0.261CS..Hα-helixtrans-68.8-32.6179.3-72.7-58.7000113.4Y245 D281 V283 F284 I287 L299 L338 L339 S346Y245-H342 AromaticContact CE1-ND1 3.58Å; Y245-H342 AromaticContact CZ-ND1 3.59Å; Y245-H342 PolarHBondContact OH-ND1 3.4Å; Y245-H342 PolarHBondContact OH-O 3.36Å; D281-H342 IonicContact OD2-CD2 3.89Å; D281-H342 IonicContact OD2-NE2 3.75Å; D281-H342 PolarHBondContact OD2-NE2 3.14Å; V283-H342 HydrophobicContact CG1-CB 4.31Å; F284-H342 AromaticContact CD2-CE1 3.61Å; I287-H342 HydrophobicContact CD1-CB 4.07Å; L299-H342 HydrophobicContact CD2-CB 4.1Å; L338-H342 PolarHBondContact O-CD2 2.71Å; L338-H342 PolarHBondContact O-N 3Å; L339-H342 PolarHBondContact O-N 3.43Å; H342-S346 WeakPolarHBondContact O-CB 3.13Å; H342-S346 PolarHBondContact O-N 2.79Å; H342-S346 PolarHBondContact O-OG 3.3Å
343I96.3Very high92.9Very high39 Ų3956.3 Ų56.320%0.226%0.263CS..Hα-helixtrans-62.8-53170.6-69.9168.3000109.7L299 L339 S340 A345 S346 E347L299-I343 HydrophobicContact CB-CG1 4.02Å; L299-I343 HydrophobicContact CD1-CG1 4.11Å; L299-I343 HydrophobicContact CG-CG1 4.49Å; L339-I343 HydrophobicContact CD1-CD1 4.34Å; L339-I343 HydrophobicContact CG-CD1 4.05Å; L339-I343 WeakPolarHBondContact O-CG1 3.22Å; L339-I343 PolarHBondContact O-N 2.86Å; S340-I343 PolarHBondContact O-N 3.49Å; I343-A345 VanDerWaalsContact C-N 3.32Å; I343-A345 PolarHBondContact O-N 2.96Å; I343-S346 WeakPolarHBondContact O-CB 3.42Å; I343-S346 PolarHBondContact O-N 2.71Å; I343-S346 VanDerWaalsContact O-N 3.08Å; I343-E347 WeakPolarHBondContact O-CG 3.37Å; I343-E347 PolarHBondContact O-N 3.35Å
344S95.9Very high92.2Very high18 Ų1853.4 Ų53.413%0.12626%0.256CS..Hα-helixtrans-63.6-36.2180-59.60000112.7V266 S340 L341 E347 S348V266-S344 VanDerWaalsContact O-CB 3.25Å; V266-S344 WeakPolarHBondContact O-CB 3.22Å; S340-S344 PolarHBondContact O-N 3.34Å; S340-S344 PolarHBondContact O-OG 3.28Å; L341-S344 PolarHBondContact O-N 3.45Å; S344-E347 PolarHBondContact O-N 2.86Å; S344-S348 WeakPolarHBondContact O-CB 3.34Å; S344-S348 PolarHBondContact O-N 3.34Å
345A96.2Very high91.1Very high0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-63.3-42.7172.300000111.4F253 F262 V266 L341 I343 S348 I349F253-A345 HydrophobicContact CE2-CB 4.19Å; F253-A345 HydrophobicContact CZ-CB 4.48Å; F262-A345 HydrophobicContact CE1-CB 3.95Å; F262-A345 HydrophobicContact CZ-CB 4.09Å; V266-A345 HydrophobicContact CG1-CB 4.14Å; V266-A345 HydrophobicContact CG2-CB 4.35Å; L341-A345 VanDerWaalsContact O-CB 3.3Å; L341-A345 WeakPolarHBondContact O-CB 3.38Å; L341-A345 PolarHBondContact O-N 3.15Å; I343-A345 VanDerWaalsContact C-N 3.32Å; I343-A345 PolarHBondContact O-N 2.96Å; A345-S348 PolarHBondContact O-N 3.33Å; A345-I349 VanDerWaalsContact O-CG1 3.25Å; A345-I349 WeakPolarHBondContact O-CG1 3.39Å; A345-I349 PolarHBondContact O-N 3.15Å
346S95.6Very high90.3Very high1 Ų159.8 Ų59.81%0.00728%0.284CS..Hα-helixtrans-62.6-42.7176.3-56.70000111.7Y245 L299 H342 I343 S348 I349 M350Y245-S346 WeakPolarHBondContact CE2-OG 3.44Å; L299-S346 WeakPolarHBondContact CD1-OG 3.49Å; H342-S346 WeakPolarHBondContact O-CB 3.13Å; H342-S346 PolarHBondContact O-N 2.79Å; H342-S346 PolarHBondContact O-OG 3.3Å; I343-S346 WeakPolarHBondContact O-CB 3.42Å; I343-S346 PolarHBondContact O-N 2.71Å; I343-S346 VanDerWaalsContact O-N 3.08Å; S346-S348 PolarHBondContact O-N 2.86Å; S346-I349 PolarHBondContact O-N 3.41Å; S346-M350 WeakPolarHBondContact O-CG 3.31Å; S346-M350 PolarHBondContact O-N 3.16Å
347E93.8Very high89.8Confident85 Ų8559.5 Ų59.540%0.39729%0.285SS..Hα-helixtrans-61.5-42.9174.8-70.4178.2179.300112.1I343 S344 M350 K351I343-E347 WeakPolarHBondContact O-CG 3.37Å; I343-E347 PolarHBondContact O-N 3.35Å; S344-E347 PolarHBondContact O-N 2.86Å; E347-M350 PolarHBondContact O-N 3.49Å; E347-K351 WeakPolarHBondContact O-CG 3.41Å; E347-K351 PolarHBondContact O-N 3.46Å
348S94Very high89.5Confident6 Ų654.2 Ų54.24%0.04227%0.266CS..Hα-helixtrans-66.9-39.4177.7178.10000112.2E265 S344 A345 S346 K351 K352E265-S348 WeakPolarHBondContact CG-OG 3.47Å; S344-S348 WeakPolarHBondContact O-CB 3.34Å; S344-S348 PolarHBondContact O-N 3.34Å; A345-S348 PolarHBondContact O-N 3.33Å; S346-S348 PolarHBondContact O-N 2.86Å; S348-K351 PolarHBondContact O-N 3.13Å; S348-K352 PolarHBondContact O-N 2.9Å
349I93.8Very high89.4Confident2 Ų258 Ų581%0.0128%0.283CS..Hα-helixtrans-58-49.1171.4-69.8162.9000110.2Y245 L248 V249 I252 F253 F292 A345 S346 K351 K352 K353Y245-I349 HydrophobicContact CE2-CD1 4.31Å; L248-I349 HydrophobicContact CB-CD1 4.2Å; L248-I349 HydrophobicContact CB-CG2 4.2Å; L248-I349 HydrophobicContact CD1-CG2 4.18Å; V249-I349 HydrophobicContact CG2-CD1 4.03Å; I252-I349 HydrophobicContact CB-CG1 4.25Å; I252-I349 HydrophobicContact CG1-CG1 4.1Å; I252-I349 HydrophobicContact CG2-CG1 4.31Å; F253-I349 HydrophobicContact CE2-CD1 4.15Å; F253-I349 HydrophobicContact CE2-CG1 3.8Å; F253-I349 HydrophobicContact CZ-CG1 4.44Å; F292-I349 HydrophobicContact CE1-CG2 4.01Å; F292-I349 HydrophobicContact CE2-CB 4.34Å; F292-I349 HydrophobicContact CE2-CD1 4.17Å; F292-I349 HydrophobicContact CE2-CG2 3.96Å; F292-I349 HydrophobicContact CZ-CB 3.98Å; F292-I349 HydrophobicContact CZ-CG2 3.58Å; A345-I349 VanDerWaalsContact O-CG1 3.25Å; A345-I349 WeakPolarHBondContact O-CG1 3.39Å; A345-I349 PolarHBondContact O-N 3.15Å; S346-I349 PolarHBondContact O-N 3.41Å; I349-K351 VanDerWaalsContact C-N 3.27Å; I349-K351 PolarHBondContact O-N 3.29Å; I349-K352 PolarHBondContact O-N 2.89Å; I349-K353 WeakPolarHBondContact O-CB 3.39Å; I349-K353 PolarHBondContact O-N 3.41Å
350M90.8Very high89.2Confident111 Ų11161.3 Ų61.355%0.54730%0.299SS..Hα-helixtrans-62.3-31.6178.4-71.6176.874.600113.5F292 S346 E347 K353F292-M350 HydrophobicContact CE1-CG 3.76Å; F292-M350 HydrophobicContact CZ-CG 3.91Å; S346-M350 WeakPolarHBondContact O-CG 3.31Å; S346-M350 PolarHBondContact O-N 3.16Å; E347-M350 PolarHBondContact O-N 3.49Å; M350-K353 CarbonylContact O-C 3.52Å; M350-K353 VanDerWaalsContact O-O 3.13Å
351K90.6Very high89.2Confident151 Ų15158.7 Ų58.766%0.65728%0.28SS*.Hα-helixtrans-74-43.7176.2-73.7171.3-173.4170.50112.1E347 S348 I349E347-K351 WeakPolarHBondContact O-CG 3.41Å; E347-K351 PolarHBondContact O-N 3.46Å; S348-K351 PolarHBondContact O-N 3.13Å; I349-K351 VanDerWaalsContact C-N 3.27Å; I349-K351 PolarHBondContact O-N 3.29Å
352K88.1Confident89.2Confident103 Ų10359 Ų5945%0.44828%0.281SS..Hα-helixtrans-74.3-32.9-179.3-73.1176.9179.2-178.90112.5I252 E265 S348 I349I252-K352 HydrophobicContact CD1-CB 4.06Å; I252-K352 HydrophobicContact CD1-CD 4.38Å; I252-K352 HydrophobicContact CG2-CD 3.38Å; E265-K352 IonicContact OE1-NZ 2.82Å; S348-K352 PolarHBondContact O-N 2.9Å; I349-K352 PolarHBondContact O-N 2.89Å
353K84.6Confident89.1Confident38 Ų3865 Ų6517%0.16531%0.308CS..SBendtrans-98.972.4170.1-65.4-67.3-172.2174.50108.4I252 I349 M350 K355 F358 E393I252-K353 HydrophobicContact CD1-CD 4.46Å; I252-K353 HydrophobicContact CD1-CG 4.08Å; I349-K353 WeakPolarHBondContact O-CB 3.39Å; I349-K353 PolarHBondContact O-N 3.41Å; M350-K353 CarbonylContact O-C 3.52Å; M350-K353 VanDerWaalsContact O-O 3.13Å; K353-K355 PolarHBondContact O-N 2.89Å; K353-F358 HydrophobicContact CB-CB 4.11Å; K353-F358 HydrophobicContact CB-CD1 4.08Å; K353-F358 HydrophobicContact CB-CG 4Å; K353-F358 HydrophobicContact CD-CB 4.43Å; K353-F358 HydrophobicContact CD-CD2 3.67Å; K353-F358 HydrophobicContact CD-CE2 3.99Å; K353-F358 HydrophobicContact CD-CG 3.99Å; K353-F358 HydrophobicContact CG-CD2 4.45Å; K353-F358 HydrophobicContact CG-CG 4.37Å; K353-E393 IonicContact NZ-OE1 3.97Å; K353-E393 PolarHBondContact NZ-OE1 3.23Å
354T74.9Confident89.1Confident65 Ų6563.8 Ų63.840%0.39930%0.301SS..  trans-45.2128.317543.60000109.3Q356 D357 F358T354-Q356 PolarHBondContact O-N 3.28Å; T354-Q356 VanDerWaalsContact O-N 3.08Å; T354-D357 PolarHBondContact O-N 2.77Å; T354-D357 PolarHBondContact OG1-OD2 2.99Å; T354-F358 WeakPolarHBondContact O-CB 3.39Å; T354-F358 PolarHBondContact O-N 3.02Å; T354-F358 VanDerWaalsContact O-N 3.07Å
355K67Low89.1Confident159 Ų15963 Ų6369%0.69130%0.296SS*.Hα-helixtrans-54.7-38-167.8-175.6175.4176.1-177.60112.5K353 Q359K353-K355 PolarHBondContact O-N 2.89Å; K355-Q359 HydrophobicContact CG-CG 4.47Å; K355-Q359 WeakPolarHBondContact O-CB 3.42Å; K355-Q359 VanDerWaalsContact O-CD 3.28Å; K355-Q359 WeakPolarHBondContact O-CG 3.5Å; K355-Q359 PolarHBondContact O-N 2.72Å; K355-Q359 PolarHBondContact O-OE1 3.1Å
356Q75.8Confident89.1Confident131 Ų13164.6 Ų64.661%0.61230%0.303SS*.Hα-helixtrans-72.9-57.2-178.2-173.3174.8-9.300112.6T354 F358 Q359 E360T354-Q356 PolarHBondContact O-N 3.28Å; T354-Q356 VanDerWaalsContact O-N 3.08Å; Q356-F358 VanDerWaalsContact C-N 3.3Å; Q356-F358 PolarHBondContact O-N 3.21Å; Q356-Q359 PolarHBondContact O-N 3.27Å; Q356-Q359 VanDerWaalsContact O-N 3.15Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.22Å; Q356-E360 PolarHBondContact NE2-OE1 3.08Å; Q356-E360 VanDerWaalsContact NE2-OE1 3.12Å; Q356-E360 PolarHBondContact O-N 3.28Å
357D81.6Confident89.1Confident85 Ų8565.1 Ų65.146%0.45531%0.307SS..Hα-helixtrans-61.3-40.8-176.1-54-48000111.6T354 E360 L361T354-D357 PolarHBondContact O-N 2.77Å; T354-D357 PolarHBondContact OG1-OD2 2.99Å; D357-E360 PolarHBondContact O-N 3.44Å; D357-L361 WeakPolarHBondContact O-CB 3.32Å; D357-L361 PolarHBondContact O-N 3.37Å
358F86.9Confident89.1Confident32 Ų3261.1 Ų61.114%0.1429%0.288CS..Hα-helixtrans-69-36.3178.6-174.3-125.6000112.6V243 L248 K353 T354 Q356 L361 L362V243-F358 HydrophobicContact CG1-CZ 4.2Å; L248-F358 HydrophobicContact CD2-CZ 4.5Å; K353-F358 HydrophobicContact CB-CB 4.11Å; K353-F358 HydrophobicContact CB-CD1 4.08Å; K353-F358 HydrophobicContact CB-CG 4Å; K353-F358 HydrophobicContact CD-CB 4.43Å; K353-F358 HydrophobicContact CD-CD2 3.67Å; K353-F358 HydrophobicContact CD-CE2 3.99Å; K353-F358 HydrophobicContact CD-CG 3.99Å; K353-F358 HydrophobicContact CG-CD2 4.45Å; K353-F358 HydrophobicContact CG-CG 4.37Å; T354-F358 WeakPolarHBondContact O-CB 3.39Å; T354-F358 PolarHBondContact O-N 3.02Å; T354-F358 VanDerWaalsContact O-N 3.07Å; Q356-F358 VanDerWaalsContact C-N 3.3Å; Q356-F358 PolarHBondContact O-N 3.21Å; F358-L361 HydrophobicContact CD2-CD2 4.28Å; F358-L361 HydrophobicContact CE2-CD2 4.35Å; F358-L361 PolarHBondContact O-N 3.42Å; F358-L362 HydrophobicContact CD1-CD1 3.96Å; F358-L362 HydrophobicContact CD2-CG 4.35Å; F358-L362 HydrophobicContact CE1-CD1 3.55Å; F358-L362 HydrophobicContact CE1-CG 4.2Å; F358-L362 HydrophobicContact CE2-CD1 4.28Å; F358-L362 HydrophobicContact CE2-CD2 4.24Å; F358-L362 HydrophobicContact CE2-CG 4.02Å; F358-L362 HydrophobicContact CZ-CD1 3.73Å; F358-L362 HydrophobicContact CZ-CD2 4.11Å; F358-L362 HydrophobicContact CZ-CG 3.94Å; F358-L362 WeakPolarHBondContact O-CB 3.33Å; F358-L362 WeakPolarHBondContact O-CG 3.26Å; F358-L362 PolarHBondContact O-N 3.24Å
359Q89.4Confident89.1Confident107 Ų10760.8 Ų60.850%0.529%0.286SS..Hα-helixtrans-66.7-40.2175.1-79.9177.7-20.400112.1K355 Q356 L362 K363K355-Q359 HydrophobicContact CG-CG 4.47Å; K355-Q359 WeakPolarHBondContact O-CB 3.42Å; K355-Q359 VanDerWaalsContact O-CD 3.28Å; K355-Q359 WeakPolarHBondContact O-CG 3.5Å; K355-Q359 PolarHBondContact O-N 2.72Å; K355-Q359 PolarHBondContact O-OE1 3.1Å; Q356-Q359 PolarHBondContact O-N 3.27Å; Q356-Q359 VanDerWaalsContact O-N 3.15Å; Q359-L362 PolarHBondContact O-N 2.9Å; Q359-K363 VanDerWaalsContact O-CB 3.3Å; Q359-K363 WeakPolarHBondContact O-CB 3.49Å; Q359-K363 PolarHBondContact O-N 2.97Å
360E92.3Very high89Confident77 Ų7765.5 Ų65.536%0.3631%0.308SS..Hα-helixtrans-66.6-39.4176.3-70176.8-166.100111.8Q356 D357 K363 T364 F380Q356-E360 WeakPolarHBondContact CG-OE1 3.22Å; Q356-E360 PolarHBondContact NE2-OE1 3.08Å; Q356-E360 VanDerWaalsContact NE2-OE1 3.12Å; Q356-E360 PolarHBondContact O-N 3.28Å; D357-E360 PolarHBondContact O-N 3.44Å; E360-K363 PolarHBondContact O-N 3.48Å; E360-T364 PolarHBondContact O-N 3.39Å; E360-T364 PolarHBondContact O-OG1 3.44Å; E360-F380 HydrophobicContact CB-CE2 3.9Å; E360-F380 HydrophobicContact CB-CZ 4.34Å
361L93.8Very high88.9Confident6 Ų661.9 Ų61.93%0.03130%0.299CS..Hα-helixtrans-63.9-45.8173.5175.1153000111.9S241 D357 F358 T364 E365 F380 E393S241-L361 WeakPolarHBondContact OG-CD2 3.12Å; D357-L361 WeakPolarHBondContact O-CB 3.32Å; D357-L361 PolarHBondContact O-N 3.37Å; F358-L361 HydrophobicContact CD2-CD2 4.28Å; F358-L361 HydrophobicContact CE2-CD2 4.35Å; F358-L361 PolarHBondContact O-N 3.42Å; L361-T364 PolarHBondContact O-N 2.8Å; L361-E365 WeakPolarHBondContact O-CB 3.33Å; L361-E365 PolarHBondContact O-N 2.85Å; L361-F380 HydrophobicContact CB-CZ 4.44Å; L361-E393 HydrophobicContact CD1-CB 4.4Å; L361-E393 HydrophobicContact CD1-CG 4.49Å
362L94.6Very high88.8Confident21 Ų2159.9 Ų59.911%0.1129%0.291CS..Hα-helixtrans-63.5-41.8175.4-77.5177.5000111.8V243 F358 Q359 T364 E365 H366V243-L362 HydrophobicContact CG1-CD1 4.22Å; V243-L362 HydrophobicContact CG1-CD2 4.16Å; F358-L362 HydrophobicContact CD1-CD1 3.96Å; F358-L362 HydrophobicContact CD2-CG 4.35Å; F358-L362 HydrophobicContact CE1-CD1 3.55Å; F358-L362 HydrophobicContact CE1-CG 4.2Å; F358-L362 HydrophobicContact CE2-CD1 4.28Å; F358-L362 HydrophobicContact CE2-CD2 4.24Å; F358-L362 HydrophobicContact CE2-CG 4.02Å; F358-L362 HydrophobicContact CZ-CD1 3.73Å; F358-L362 HydrophobicContact CZ-CD2 4.11Å; F358-L362 HydrophobicContact CZ-CG 3.94Å; F358-L362 WeakPolarHBondContact O-CB 3.33Å; F358-L362 WeakPolarHBondContact O-CG 3.26Å; F358-L362 PolarHBondContact O-N 3.24Å; Q359-L362 PolarHBondContact O-N 2.9Å; L362-T364 VanDerWaalsContact C-N 3.33Å; L362-T364 PolarHBondContact O-N 2.67Å; L362-E365 WeakPolarHBondContact O-CB 3.48Å; L362-E365 PolarHBondContact O-N 3.06Å; L362-H366 PolarHBondContact O-CD2 3.43Å; L362-H366 VanDerWaalsContact O-CD2 3.27Å; L362-H366 PolarHBondContact O-N 3.48Å
363K94.9Very high88.9Confident129 Ų12958.4 Ų58.456%0.56129%0.285SS*.Hα-helixtrans-57.5-49.3175.7-176.2-171.7174.6-165.70110.3Q359 E360 E365 H366 C367Q359-K363 VanDerWaalsContact O-CB 3.3Å; Q359-K363 WeakPolarHBondContact O-CB 3.49Å; Q359-K363 PolarHBondContact O-N 2.97Å; E360-K363 PolarHBondContact O-N 3.48Å; K363-E365 PolarHBondContact O-N 3.17Å; K363-H366 PolarHBondContact O-N 3.39Å; K363-C367 PolarHBondContact O-N 3.15Å; K363-C367 PolarHBondContact O-SG 3.23Å
364T96.6Very high89.2Confident12 Ų1258.3 Ų58.37%0.07429%0.286CS..Hα-helixtrans-61-44.6177.8-59.40000111.5E360 L361 L362 H366 C367 L368 C377 F380E360-T364 PolarHBondContact O-N 3.39Å; E360-T364 PolarHBondContact O-OG1 3.44Å; L361-T364 PolarHBondContact O-N 2.8Å; L362-T364 VanDerWaalsContact C-N 3.33Å; L362-T364 PolarHBondContact O-N 2.67Å; T364-H366 PolarHBondContact O-N 3.36Å; T364-C367 PolarHBondContact O-N 2.71Å; T364-L368 HydrophobicContact CG2-CD1 4.43Å; T364-L368 VanDerWaalsContact O-CG 3.32Å; T364-L368 WeakPolarHBondContact O-CG 3.29Å; T364-L368 PolarHBondContact O-N 2.86Å; T364-C377 HydrophobicContact CG2-CB 3.94Å; T364-F380 HydrophobicContact CG2-CB 4.38Å; T364-F380 HydrophobicContact CG2-CD1 3.73Å; T364-F380 HydrophobicContact CG2-CE1 4.37Å; T364-F380 HydrophobicContact CG2-CG 4.25Å; T364-F380 WeakPolarHBondContact OG1-CD1 3.49Å; T364-F380 WeakPolarHBondContact OG1-CG 3.37Å
365E96.9Very high90.2Very high1 Ų162.2 Ų62.21%0.00529%0.293CS..Hα-helixtrans-57.1-46.9175.8-174.9177.6128.300112C240 S241 L361 L362 K363 L368 L369 R396 L400C240-E365 WeakPolarHBondContact CA-OE1 3.33Å; C240-E365 VanDerWaalsContact CB-OE1 3.27Å; C240-E365 WeakPolarHBondContact CB-OE1 3.22Å; S241-E365 WeakPolarHBondContact CB-OE2 3.34Å; S241-E365 VanDerWaalsContact N-CD 3.27Å; S241-E365 PolarHBondContact N-OE1 3.34Å; S241-E365 PolarHBondContact N-OE2 3.43Å; S241-E365 PolarHBondContact OG-OE2 3.17Å; L361-E365 WeakPolarHBondContact O-CB 3.33Å; L361-E365 PolarHBondContact O-N 2.85Å; L362-E365 WeakPolarHBondContact O-CB 3.48Å; L362-E365 PolarHBondContact O-N 3.06Å; K363-E365 PolarHBondContact O-N 3.17Å; E365-L368 WeakPolarHBondContact O-CB 3.33Å; E365-L368 PolarHBondContact O-N 2.85Å; E365-L369 HydrophobicContact CG-CD1 4.2Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 2.93Å; E365-R396 IonicContact OE2-CZ 2.6Å; E365-R396 IonicContact OE2-NH1 3.19Å; E365-R396 PolarHBondContact OE2-NH1 3.15Å; E365-R396 IonicContact OE2-NH2 3.06Å; E365-R396 PolarHBondContact OE2-NH2 2.82Å; E365-L400 HydrophobicContact CB-CD2 4.3Å; E365-L400 HydrophobicContact CG-CD2 3.54Å
366H95.3Very high91.5Very high35 Ų3559.9 Ų59.916%0.16229%0.285CS..Hα-helixtrans-65.7-43.1178.5-62.5175.8000111.9L362 K363 T364 L368 L369 E370 A514L362-H366 PolarHBondContact O-CD2 3.43Å; L362-H366 VanDerWaalsContact O-CD2 3.27Å; L362-H366 PolarHBondContact O-N 3.48Å; K363-H366 PolarHBondContact O-N 3.39Å; T364-H366 PolarHBondContact O-N 3.36Å; H366-L368 VanDerWaalsContact C-N 3.27Å; H366-L368 PolarHBondContact O-N 3.41Å; H366-L369 CarbonylContact O-C 3.58Å; H366-L369 PolarHBondContact O-N 3.08Å; H366-E370 WeakPolarHBondContact O-CB 3.29Å; H366-E370 WeakPolarHBondContact O-CG 3.26Å; H366-E370 PolarHBondContact O-N 2.95Å; H366-A514 HydrophobicContact CB-CB 3.97Å; H366-A514 VanDerWaalsContact CD2-CB 3.44Å; H366-A514 WeakPolarHBondContact CD2-CB 3.46Å; H366-A514 VanDerWaalsContact CG-CB 3.46Å
367C94.5Very high92.5Very high12 Ų1253.8 Ų53.88%0.08126%0.257CS..Hα-helixtrans-57.1-41.1174.6-71.40000111.7K363 T364 E370 G371 F372 C377K363-C367 PolarHBondContact O-N 3.15Å; K363-C367 PolarHBondContact O-SG 3.23Å; T364-C367 PolarHBondContact O-N 2.71Å; C367-E370 PolarHBondContact O-N 2.88Å; C367-G371 PolarHBondContact O-N 3.37Å; C367-F372 WeakPolarHBondContact CB-O 3.26Å; C367-F372 PolarHBondContact O-N 2.96Å; C367-C377 WeakPolarHBondContact CB-SG 3.46Å
368L95.3Very high93.3Very high0 Ų050.4 Ų50.40%024%0.239CC..Hα-helixtrans-64.4-41.6174.5-68175.2000112.2T364 E365 H366 E370 I374 C377 L400 L401 T404 R483T364-L368 HydrophobicContact CG2-CD1 4.43Å; T364-L368 VanDerWaalsContact O-CG 3.32Å; T364-L368 WeakPolarHBondContact O-CG 3.29Å; T364-L368 PolarHBondContact O-N 2.86Å; E365-L368 WeakPolarHBondContact O-CB 3.33Å; E365-L368 PolarHBondContact O-N 2.85Å; H366-L368 VanDerWaalsContact C-N 3.27Å; H366-L368 PolarHBondContact O-N 3.41Å; L368-E370 VanDerWaalsContact C-N 3.35Å; L368-I374 HydrophobicContact CD2-CD1 4.04Å; L368-C377 HydrophobicContact CD2-CB 3.61Å; L368-C377 HydrophobicContact CG-CB 4.08Å; L368-L400 HydrophobicContact CB-CD2 4.21Å; L368-L400 HydrophobicContact CB-CG 4.29Å; L368-L400 HydrophobicContact CD1-CB 4.29Å; L368-L400 HydrophobicContact CD1-CD2 4.03Å; L368-L400 HydrophobicContact CD1-CG 4.17Å; L368-L401 HydrophobicContact CD1-CB 4.26Å; L368-L401 HydrophobicContact CD2-CB 3.99Å; L368-L401 HydrophobicContact CD2-CD1 3.46Å; L368-L401 VanDerWaalsContact CD2-CD1 3.46Å; L368-L401 HydrophobicContact CD2-CG 4.29Å; L368-T404 WeakPolarHBondContact O-CB 3.5Å; L368-T404 PolarHBondContact O-OG1 3.42Å; L368-R483 PolarHBondContact O-NH2 2.87Å
369L94.5Very high93.8Very high0 Ų052.1 Ų52.10%026%0.255CS..Hα-helixtrans-67.4-35.1176.9-69163.1000112I236 E365 H366 L400 F482 R483 V492 Y515I236-L369 HydrophobicContact CG2-CD2 3.58Å; E365-L369 HydrophobicContact CG-CD1 4.2Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 2.93Å; H366-L369 CarbonylContact O-C 3.58Å; H366-L369 PolarHBondContact O-N 3.08Å; L369-L400 HydrophobicContact CD2-CD1 4.19Å; L369-F482 HydrophobicContact CD2-CE1 4.34Å; L369-F482 HydrophobicContact CD2-CZ 3.92Å; L369-F482 WeakPolarHBondContact O-CE1 3.48Å; L369-R483 PolarHBondContact O-NH1 2.58Å; L369-V492 WeakPolarHBondContact O-CG2 3.3Å; L369-Y515 HydrophobicContact CD1-CG 4.48Å; L369-Y515 HydrophobicContact CD2-CD2 4.39Å; L369-Y515 HydrophobicContact CD2-CG 4.19Å
370E90.7Very high94.2Very high100 Ų10049.1 Ų49.147%0.46724%0.24SC..Hα-helixtrans-81.5-28.7-179.8-70.5171.6-170.700112.9H366 C367 L368 F372 R483 V492H366-E370 WeakPolarHBondContact O-CB 3.29Å; H366-E370 WeakPolarHBondContact O-CG 3.26Å; H366-E370 PolarHBondContact O-N 2.95Å; C367-E370 PolarHBondContact O-N 2.88Å; L368-E370 VanDerWaalsContact C-N 3.35Å; E370-F372 HydrophobicContact CB-CB 4.37Å; E370-R483 PolarHBondContact O-NH1 3.28Å; E370-R483 VanDerWaalsContact O-NH1 3.12Å; E370-V492 HydrophobicContact CG-CG1 3.76Å
371G88.4Confident94.5Very high35 Ų3545.5 Ų45.536%0.36122%0.223SC..THydrogen-bonded Turntrans86.331.2-176.500000112.5C367 R483C367-G371 PolarHBondContact O-N 3.37Å; G371-R483 VanDerWaalsContact CA-NH1 3.29Å; G371-R483 VanDerWaalsContact N-CZ 3.33Å
372F88Confident94.7Very high110 Ų11047.6 Ų47.648%0.48223%0.233SC..  trans-111.5144.2-174.5-169.6-111.7000109.6C367 E370 I374C367-F372 WeakPolarHBondContact CB-O 3.26Å; C367-F372 PolarHBondContact O-N 2.96Å; E370-F372 HydrophobicContact CB-CB 4.37Å; F372-I374 PolarHBondContact O-N 3.21Å
373E90.7Very high94.8Very high71 Ų7151.7 Ų51.733%0.33225%0.251SS..  trans50.635.4172.5-74.9174.1174.900115.2R375 E376 C377E373-R375 PolarHBondContact O-N 2.89Å; E373-E376 HydrophobicContact CB-CB 4.3Å; E373-E376 VanDerWaalsContact CB-OE2 3.32Å; E373-E376 WeakPolarHBondContact CB-OE2 3.29Å; E373-E376 WeakPolarHBondContact CG-OE2 3.37Å; E373-E376 WeakPolarHBondContact O-CA 3.39Å; E373-E376 WeakPolarHBondContact O-CB 3.3Å; E373-E376 PolarHBondContact O-N 3.48Å; E373-C377 PolarHBondContact O-N 2.89Å; E373-C377 PolarHBondContact O-SG 2.9Å
374I91.5Very high94.9Very high36 Ų3646.2 Ų46.219%0.18523%0.228CC..Hα-helixtrans-53.8-33.6-173.4-60.1-59.1000113.6L368 F372 C377 I378 L401 E405L368-I374 HydrophobicContact CD2-CD1 4.04Å; F372-I374 PolarHBondContact O-N 3.21Å; I374-C377 WeakPolarHBondContact O-CB 3.2Å; I374-C377 PolarHBondContact O-N 3.3Å; I374-I378 HydrophobicContact CG2-CD1 4.2Å; I374-I378 WeakPolarHBondContact O-CG1 3.41Å; I374-I378 PolarHBondContact O-N 2.96Å; I374-L401 HydrophobicContact CG2-CD1 3.78Å; I374-E405 HydrophobicContact CD1-CG 4.48Å
375R94.8Very high95Very high147 Ų14745.6 Ų45.656%0.55522%0.224SC*.Hα-helixtrans-65.5-39.6176.4-76.1-67.1-176.3-157.8-6.6112.6E373 I378 S379 D412E373-R375 PolarHBondContact O-N 2.89Å; R375-I378 PolarHBondContact O-N 3.34Å; R375-S379 PolarHBondContact O-N 2.67Å; R375-S379 PolarHBondContact O-OG 3.27Å; R375-D412 IonicContact CZ-OD2 3.73Å; R375-D412 IonicContact NH1-OD1 3.33Å; R375-D412 PolarHBondContact NH1-OD1 2.84Å; R375-D412 IonicContact NH1-OD2 2.85Å; R375-D412 PolarHBondContact NH1-OD2 2.9Å; R375-D412 IonicContact NH2-OD2 3.82Å
376E95.3Very high94.9Very high110 Ų11050 Ų5051%0.51425%0.247SC..Hα-helixtrans-71.5-36.4177.2-66.1154.7-155.300110.5E373 I378 S379 F380E373-E376 HydrophobicContact CB-CB 4.3Å; E373-E376 VanDerWaalsContact CB-OE2 3.32Å; E373-E376 WeakPolarHBondContact CB-OE2 3.29Å; E373-E376 WeakPolarHBondContact CG-OE2 3.37Å; E373-E376 WeakPolarHBondContact O-CA 3.39Å; E373-E376 WeakPolarHBondContact O-CB 3.3Å; E373-E376 PolarHBondContact O-N 3.48Å; E376-I378 VanDerWaalsContact C-N 3.33Å; E376-I378 PolarHBondContact O-N 3.26Å; E376-S379 PolarHBondContact O-N 2.89Å; E376-F380 PolarHBondContact O-N 2.69Å
377C96.8Very high95Very high4 Ų455.6 Ų55.63%0.02727%0.267CS..Hα-helixtrans-59-43.5170.1-56.80000111.8T364 C367 L368 E373 I374 F380 I381T364-C377 HydrophobicContact CG2-CB 3.94Å; C367-C377 WeakPolarHBondContact CB-SG 3.46Å; L368-C377 HydrophobicContact CD2-CB 3.61Å; L368-C377 HydrophobicContact CG-CB 4.08Å; E373-C377 PolarHBondContact O-N 2.89Å; E373-C377 PolarHBondContact O-SG 2.9Å; I374-C377 WeakPolarHBondContact O-CB 3.2Å; I374-C377 PolarHBondContact O-N 3.3Å; C377-F380 PolarHBondContact O-N 3.18Å; C377-I381 VanDerWaalsContact O-CG1 3.23Å; C377-I381 WeakPolarHBondContact O-CG1 3.38Å; C377-I381 PolarHBondContact O-N 2.92Å
378I97.8Very high95Very high13 Ų1360.7 Ų60.77%0.06729%0.29CS..Hα-helixtrans-60.8-47175.3-70.1165.4000110.4I374 R375 E376 F380 I381 E382 L401 L416I374-I378 HydrophobicContact CG2-CD1 4.2Å; I374-I378 WeakPolarHBondContact O-CG1 3.41Å; I374-I378 PolarHBondContact O-N 2.96Å; R375-I378 PolarHBondContact O-N 3.34Å; E376-I378 VanDerWaalsContact C-N 3.33Å; E376-I378 PolarHBondContact O-N 3.26Å; I378-F380 VanDerWaalsContact C-N 3.33Å; I378-F380 PolarHBondContact O-N 3.19Å; I378-I381 PolarHBondContact O-N 2.72Å; I378-I381 VanDerWaalsContact O-N 3.14Å; I378-E382 HydrophobicContact CG2-CG 4.4Å; I378-E382 WeakPolarHBondContact O-CG 3.16Å; I378-E382 PolarHBondContact O-N 2.9Å; I378-L401 HydrophobicContact CD1-CD2 4.39Å; I378-L401 HydrophobicContact CG1-CD1 4.41Å; I378-L401 HydrophobicContact CG1-CD2 3.69Å; I378-L416 HydrophobicContact CG2-CD1 4.44Å
379S97.9Very high94.9Very high68 Ų6864.3 Ų64.348%0.47631%0.312SS..Hα-helixtrans-61.4-39.7178.2-64.40000112.8R375 E376 E382 E383R375-S379 PolarHBondContact O-N 2.67Å; R375-S379 PolarHBondContact O-OG 3.27Å; E376-S379 PolarHBondContact O-N 2.89Å; S379-E382 PolarHBondContact O-N 3.43Å; S379-E383 PolarHBondContact O-N 3.48Å
380F97.8Very high94.9Very high45 Ų4565.9 Ų65.920%0.19732%0.323CS..Hα-helixtrans-61-44.6172.9178.7-90.2000111.6E360 L361 T364 E376 C377 I378 E383 H384 L397E360-F380 HydrophobicContact CB-CE2 3.9Å; E360-F380 HydrophobicContact CB-CZ 4.34Å; L361-F380 HydrophobicContact CB-CZ 4.44Å; T364-F380 HydrophobicContact CG2-CB 4.38Å; T364-F380 HydrophobicContact CG2-CD1 3.73Å; T364-F380 HydrophobicContact CG2-CE1 4.37Å; T364-F380 HydrophobicContact CG2-CG 4.25Å; T364-F380 WeakPolarHBondContact OG1-CD1 3.49Å; T364-F380 WeakPolarHBondContact OG1-CG 3.37Å; E376-F380 PolarHBondContact O-N 2.69Å; C377-F380 PolarHBondContact O-N 3.18Å; I378-F380 VanDerWaalsContact C-N 3.33Å; I378-F380 PolarHBondContact O-N 3.19Å; F380-E383 PolarHBondContact O-N 2.84Å; F380-H384 VanDerWaalsContact O-CB 3.31Å; F380-H384 WeakPolarHBondContact O-CB 3.5Å; F380-H384 PolarHBondContact O-N 2.99Å; F380-L397 HydrophobicContact CD1-CD1 4.2Å; F380-L397 HydrophobicContact CE1-CD1 3.85Å
381I98.2Very high95.1Very high0 Ų063.6 Ų63.60%031%0.313CS..Hα-helixtrans-62.9-43.3177.7-66.7165.9000111C377 I378 H384 I385 L397 L398 L401 L416C377-I381 VanDerWaalsContact O-CG1 3.23Å; C377-I381 WeakPolarHBondContact O-CG1 3.38Å; C377-I381 PolarHBondContact O-N 2.92Å; I378-I381 PolarHBondContact O-N 2.72Å; I378-I381 VanDerWaalsContact O-N 3.14Å; I381-H384 PolarHBondContact O-N 3.48Å; I381-I385 HydrophobicContact CG2-CD1 3.8Å; I381-I385 HydrophobicContact CG2-CG1 4.45Å; I381-I385 VanDerWaalsContact O-CG1 3.27Å; I381-I385 WeakPolarHBondContact O-CG1 3.45Å; I381-I385 PolarHBondContact O-N 3.12Å; I381-L397 HydrophobicContact CD1-CB 3.89Å; I381-L397 HydrophobicContact CG1-CB 3.75Å; I381-L397 HydrophobicContact CG1-CD1 4.17Å; I381-L398 HydrophobicContact CG2-CD2 3.72Å; I381-L398 HydrophobicContact CG2-CG 4Å; I381-L401 HydrophobicContact CD1-CB 4.28Å; I381-L401 HydrophobicContact CD1-CD2 4.12Å; I381-L416 HydrophobicContact CG2-CD2 4.09Å
382E98.2Very high95.4Very high51 Ų5163 Ų6324%0.23830%0.301CS..Hα-helixtrans-58.2-49174.9-71.5-176.4139.700111I378 S379 H384 I385 N386 L416 Q419I378-E382 HydrophobicContact CG2-CG 4.4Å; I378-E382 WeakPolarHBondContact O-CG 3.16Å; I378-E382 PolarHBondContact O-N 2.9Å; S379-E382 PolarHBondContact O-N 3.43Å; E382-H384 VanDerWaalsContact C-N 3.35Å; E382-H384 PolarHBondContact O-N 2.79Å; E382-I385 PolarHBondContact O-N 2.98Å; E382-N386 WeakPolarHBondContact O-CB 3.47Å; E382-N386 PolarHBondContact O-N 3.22Å; E382-N386 PolarHBondContact O-ND2 2.91Å; E382-L416 HydrophobicContact CG-CD2 3.56Å; E382-Q419 PolarHBondContact OE1-NE2 3.37Å
383E97.1Very high95.8Very high106 Ų10659.9 Ų59.950%0.49529%0.288SS..Hα-helixtrans-61.5-43.1177.4-178.7167.8163.900112S379 F380 I385 N386 R387S379-E383 PolarHBondContact O-N 3.48Å; F380-E383 PolarHBondContact O-N 2.84Å; E383-I385 VanDerWaalsContact C-N 3.31Å; E383-I385 PolarHBondContact O-N 2.87Å; E383-N386 PolarHBondContact O-N 3.23Å; E383-R387 HydrophobicContact CG-CG 4.14Å; E383-R387 WeakPolarHBondContact O-CB 3.49Å; E383-R387 WeakPolarHBondContact O-CG 3.26Å; E383-R387 PolarHBondContact O-N 3.34Å; E383-R387 WeakPolarHBondContact OE1-CD 3.35Å; E383-R387 IonicContact OE1-NH1 3.16Å; E383-R387 PolarHBondContact OE1-NH1 2.82Å; E383-R387 VanDerWaalsContact OE1-NH1 3.16Å
384H96.6Very high96.1Very high14 Ų1456.5 Ų56.57%0.06527%0.272CS..Hα-helixtrans-60.8-39.7178.8-168-83.3000112.2F380 I381 E382 Q388 V389 S394F380-H384 VanDerWaalsContact O-CB 3.31Å; F380-H384 WeakPolarHBondContact O-CB 3.5Å; F380-H384 PolarHBondContact O-N 2.99Å; I381-H384 PolarHBondContact O-N 3.48Å; E382-H384 VanDerWaalsContact C-N 3.35Å; E382-H384 PolarHBondContact O-N 2.79Å; H384-Q388 PolarHBondContact O-N 3.42Å; H384-V389 WeakPolarHBondContact NE2-CB 3.29Å; H384-V389 WeakPolarHBondContact NE2-CG1 3.36Å; H384-V389 PolarHBondContact O-N 2.84Å; H384-S394 PolarHBondContact ND1-OG 2.94Å
385I98.1Very high96.4Very high0 Ų054.8 Ų54.80%026%0.263CS..Hα-helixtrans-67.9-47.4174-69.6165.8000111.1I381 E382 E383 R387 Q388 L398 L416 Q419 Y420 S423 Y424I381-I385 HydrophobicContact CG2-CD1 3.8Å; I381-I385 HydrophobicContact CG2-CG1 4.45Å; I381-I385 VanDerWaalsContact O-CG1 3.27Å; I381-I385 WeakPolarHBondContact O-CG1 3.45Å; I381-I385 PolarHBondContact O-N 3.12Å; E382-I385 PolarHBondContact O-N 2.98Å; E383-I385 VanDerWaalsContact C-N 3.31Å; E383-I385 PolarHBondContact O-N 2.87Å; I385-R387 VanDerWaalsContact C-N 3.31Å; I385-R387 PolarHBondContact O-N 2.7Å; I385-Q388 PolarHBondContact O-N 2.82Å; I385-L398 HydrophobicContact CD1-CD1 4.16Å; I385-L416 HydrophobicContact CD1-CD2 4.29Å; I385-Q419 HydrophobicContact CG2-CB 4.08Å; I385-Y420 HydrophobicContact CD1-CD2 4.27Å; I385-Y420 HydrophobicContact CG1-CD2 4.29Å; I385-S423 WeakPolarHBondContact O-CB 3.44Å; I385-S423 PolarHBondContact O-OG 2.92Å; I385-S423 VanDerWaalsContact O-OG 3.05Å; I385-Y424 HydrophobicContact CB-CE2 4.46Å; I385-Y424 HydrophobicContact CG1-CE2 4.36Å; I385-Y424 HydrophobicContact CG2-CE2 4.11Å
386N96.7Very high96.5Very high92 Ų9248 Ų4849%0.49224%0.238SC..Hα-helixtrans-67.9-32.1-175.7-70.9-37.4000112.1E382 E383 Q388 Q419E382-N386 WeakPolarHBondContact O-CB 3.47Å; E382-N386 PolarHBondContact O-N 3.22Å; E382-N386 PolarHBondContact O-ND2 2.91Å; E383-N386 PolarHBondContact O-N 3.23Å; N386-Q388 VanDerWaalsContact C-N 3.26Å; N386-Q419 PolarHBondContact ND2-OE1 3.04Å; N386-Q419 VanDerWaalsContact ND2-OE1 3.07Å
387R95.8Very high96.7Very high153 Ų15342.8 Ų42.858%0.57721%0.213SC*.THydrogen-bonded Turntrans-80.4-5172.9-70.417663.8-176.3-8.1113.7E383 I385 V389E383-R387 HydrophobicContact CG-CG 4.14Å; E383-R387 WeakPolarHBondContact O-CB 3.49Å; E383-R387 WeakPolarHBondContact O-CG 3.26Å; E383-R387 PolarHBondContact O-N 3.34Å; E383-R387 WeakPolarHBondContact OE1-CD 3.35Å; E383-R387 IonicContact OE1-NH1 3.16Å; E383-R387 PolarHBondContact OE1-NH1 2.82Å; E383-R387 VanDerWaalsContact OE1-NH1 3.16Å; I385-R387 VanDerWaalsContact C-N 3.31Å; I385-R387 PolarHBondContact O-N 2.7Å; R387-V389 HydrophobicContact CB-CG2 3.85Å; R387-V389 PolarHBondContact O-N 3.46Å
388Q95.8Very high96.7Very high120 Ų12042.7 Ų42.756%0.56121%0.212SC*.THydrogen-bonded Turntrans53.337.7-177.9-61.1176.9-51.500113.3H384 I385 N386 S390 S423 Y424H384-Q388 PolarHBondContact O-N 3.42Å; I385-Q388 PolarHBondContact O-N 2.82Å; N386-Q388 VanDerWaalsContact C-N 3.26Å; Q388-S390 PolarHBondContact O-N 2.94Å; Q388-S423 PolarHBondContact NE2-O 2.55Å; Q388-Y424 HydrophobicContact CB-CE1 4.22Å; Q388-Y424 HydrophobicContact CG-CE1 4.42Å
389V92.9Very high96.8Very high76 Ų7642 Ų4246%0.46121%0.209SC..  trans-59.3-53.5-174177.50000111.2H384 R387H384-V389 WeakPolarHBondContact NE2-CB 3.29Å; H384-V389 WeakPolarHBondContact NE2-CG1 3.36Å; H384-V389 PolarHBondContact O-N 2.84Å; R387-V389 HydrophobicContact CB-CG2 3.85Å; R387-V389 PolarHBondContact O-N 3.46Å
390S93.8Very high96.8Very high32 Ų3238.9 Ų38.922%0.22419%0.187CC..  trans-160.2124.8176.1167.10000110.3Q388 I392 E393 S394 Y424Q388-S390 PolarHBondContact O-N 2.94Å; S390-I392 PolarHBondContact O-N 2.94Å; S390-E393 WeakPolarHBondContact CB-OE2 3.41Å; S390-E393 PolarHBondContact O-N 2.9Å; S390-E393 PolarHBondContact OG-N 2.9Å; S390-E393 PolarHBondContact OG-OE2 3.08Å; S390-S394 WeakPolarHBondContact O-CB 3.42Å; S390-S394 PolarHBondContact O-N 3.39Å; S390-S394 PolarHBondContact O-OG 3.15Å; S390-Y424 PolarHBondContact O-OH 2.73Å
391M95.4Very high96.8Very high52 Ų5236.8 Ų36.826%0.25618%0.178SC..Hα-helixtrans-56.9-49.6178.2177.7-165.77500111.6L395 Y420 Y424 H428 L609M391-L395 WeakPolarHBondContact O-CB 3.44Å; M391-L395 PolarHBondContact O-N 3.21Å; M391-Y420 WeakPolarHBondContact CG-OH 3.45Å; M391-Y420 PolarHBondContact O-OH 3.01Å; M391-Y424 HydrophobicContact CB-CD1 3.77Å; M391-Y424 HydrophobicContact CB-CE1 3.88Å; M391-Y424 HydrophobicContact CB-CG 4.18Å; M391-Y424 HydrophobicContact CG-CD1 4.12Å; M391-Y424 HydrophobicContact CG-CG 4.06Å; M391-H428 PolarHBondContact SD-CE1 3.19Å; M391-H428 PolarHBondContact SD-NE2 3.16Å; M391-L609 HydrophobicContact CE-CD1 3.84Å; M391-L609 HydrophobicContact CE-CD2 4.44Å
392I95.1Very high96.7Very high22 Ų2236.9 Ų36.911%0.11318%0.178CC..Hα-helixtrans-67.6-42.4-177.3-63.4-65.4000111.2S390 L395 R396 L605 E606 L609S390-I392 PolarHBondContact O-N 2.94Å; I392-L395 PolarHBondContact O-N 3.42Å; I392-R396 VanDerWaalsContact O-CB 3.29Å; I392-R396 WeakPolarHBondContact O-CB 3.4Å; I392-R396 PolarHBondContact O-N 3.04Å; I392-L605 HydrophobicContact CD1-CB 4.42Å; I392-L605 HydrophobicContact CG2-CB 4.45Å; I392-L605 HydrophobicContact CG2-CD1 4.07Å; I392-E606 HydrophobicContact CD1-CG 4.39Å; I392-L609 HydrophobicContact CD1-CD1 4.09Å
393E95.6Very high96.6Very high45 Ų4535.5 Ų35.521%0.2117%0.174CC..Hα-helixtrans-69.8-39.1-179.8-68.2172.7145.200111.5K353 L361 S390 L395 R396 L397K353-E393 IonicContact NZ-OE1 3.97Å; K353-E393 PolarHBondContact NZ-OE1 3.23Å; L361-E393 HydrophobicContact CD1-CB 4.4Å; L361-E393 HydrophobicContact CD1-CG 4.49Å; S390-E393 WeakPolarHBondContact CB-OE2 3.41Å; S390-E393 PolarHBondContact O-N 2.9Å; S390-E393 PolarHBondContact OG-N 2.9Å; S390-E393 PolarHBondContact OG-OE2 3.08Å; E393-L395 VanDerWaalsContact C-N 3.35Å; E393-L395 PolarHBondContact O-N 3.22Å; E393-R396 WeakPolarHBondContact O-CB 3.4Å; E393-R396 PolarHBondContact O-N 2.82Å; E393-L397 WeakPolarHBondContact O-CG 3.4Å; E393-L397 PolarHBondContact O-N 3.23Å
394S97.1Very high96.4Very high0 Ų030.5 Ų30.50%015%0.15CC..Hα-helixtrans-56.7-48.7170.7-69.70000111.4H384 S390 R396 L397 L398 Y424H384-S394 PolarHBondContact ND1-OG 2.94Å; S390-S394 WeakPolarHBondContact O-CB 3.42Å; S390-S394 PolarHBondContact O-N 3.39Å; S390-S394 PolarHBondContact O-OG 3.15Å; S394-R396 VanDerWaalsContact C-N 3.32Å; S394-R396 PolarHBondContact O-N 3.45Å; S394-L397 PolarHBondContact O-N 3.18Å; S394-L398 WeakPolarHBondContact O-CG 3.28Å; S394-L398 PolarHBondContact O-N 3.44Å; S394-Y424 PolarHBondContact OG-OH 3.1Å
395L97.4Very high96.1Very high0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-64.2-39-180-166.262000111.9M391 I392 E393 L398 C399 Y420 T431 F432 L435 L605M391-L395 WeakPolarHBondContact O-CB 3.44Å; M391-L395 PolarHBondContact O-N 3.21Å; I392-L395 PolarHBondContact O-N 3.42Å; E393-L395 VanDerWaalsContact C-N 3.35Å; E393-L395 PolarHBondContact O-N 3.22Å; L395-L398 HydrophobicContact CD1-CD1 4.49Å; L395-L398 WeakPolarHBondContact O-CB 3.24Å; L395-L398 PolarHBondContact O-N 2.92Å; L395-C399 PolarHBondContact O-N 3.35Å; L395-C399 PolarHBondContact O-SG 2.81Å; L395-Y420 HydrophobicContact CB-CE2 4.01Å; L395-Y420 HydrophobicContact CD1-CE2 4.07Å; L395-T431 HydrophobicContact CD2-CG2 3.72Å; L395-F432 HydrophobicContact CD1-CE2 4.24Å; L395-L435 HydrophobicContact CD1-CD1 3.49Å; L395-L435 VanDerWaalsContact CD1-CD1 3.49Å; L395-L435 HydrophobicContact CD2-CD1 4.05Å; L395-L435 HydrophobicContact CG-CD1 3.88Å; L395-L605 HydrophobicContact CB-CD1 4.48Å; L395-L605 HydrophobicContact CD2-CD2 4.39Å; L395-L605 HydrophobicContact CG-CD2 4.48Å
396R98Very high95.7Very high5 Ų535.2 Ų35.22%0.01917%0.174CC..Hα-helixtrans-60-47.5175.7-172.5177.773.5109.3-4.9112L239 S241 E365 I392 E393 S394 C399 L400 S601 L605L239-R396 HydrophobicContact CB-CG 4.4Å; L239-R396 HydrophobicContact CD2-CG 3.98Å; L239-R396 WeakPolarHBondContact O-CD 3.42Å; L239-R396 VanDerWaalsContact O-CG 3.29Å; L239-R396 WeakPolarHBondContact O-CG 3.48Å; L239-R396 PolarHBondContact O-NH1 3.15Å; S241-R396 VanDerWaalsContact N-NH1 3.13Å; S241-R396 PolarHBondContact OG-NH1 2.91Å; S241-R396 PolarHBondContact OG-NH2 2.97Å; E365-R396 IonicContact OE2-CZ 2.6Å; E365-R396 IonicContact OE2-NH1 3.19Å; E365-R396 PolarHBondContact OE2-NH1 3.15Å; E365-R396 IonicContact OE2-NH2 3.06Å; E365-R396 PolarHBondContact OE2-NH2 2.82Å; I392-R396 VanDerWaalsContact O-CB 3.29Å; I392-R396 WeakPolarHBondContact O-CB 3.4Å; I392-R396 PolarHBondContact O-N 3.04Å; E393-R396 WeakPolarHBondContact O-CB 3.4Å; E393-R396 PolarHBondContact O-N 2.82Å; S394-R396 VanDerWaalsContact C-N 3.32Å; S394-R396 PolarHBondContact O-N 3.45Å; R396-C399 PolarHBondContact O-N 2.92Å; R396-L400 WeakPolarHBondContact O-CB 3.5Å; R396-L400 PolarHBondContact O-N 3.26Å; R396-S601 WeakPolarHBondContact CD-OG 3.41Å; R396-L605 HydrophobicContact CB-CD1 3.61Å; R396-L605 HydrophobicContact CG-CD1 4.23Å
397L98.3Very high95.5Very high1 Ų130.9 Ų30.91%0.00515%0.151CC..Hα-helixtrans-65.7-38.2177.8-67172000112F380 I381 E393 S394 L400 L401F380-L397 HydrophobicContact CD1-CD1 4.2Å; F380-L397 HydrophobicContact CE1-CD1 3.85Å; I381-L397 HydrophobicContact CD1-CB 3.89Å; I381-L397 HydrophobicContact CG1-CB 3.75Å; I381-L397 HydrophobicContact CG1-CD1 4.17Å; E393-L397 WeakPolarHBondContact O-CG 3.4Å; E393-L397 PolarHBondContact O-N 3.23Å; S394-L397 PolarHBondContact O-N 3.18Å; L397-L400 PolarHBondContact O-N 2.94Å; L397-L401 WeakPolarHBondContact O-CB 3.47Å; L397-L401 PolarHBondContact O-N 3.36Å
398L98.3Very high95.4Very high1 Ų124 Ų241%0.00513%0.126CC..Hα-helixtrans-60-45.6172.3-73172.3000111.9I381 I385 S394 L395 S402 L416 Y420 F432 L441I381-L398 HydrophobicContact CG2-CD2 3.72Å; I381-L398 HydrophobicContact CG2-CG 4Å; I385-L398 HydrophobicContact CD1-CD1 4.16Å; S394-L398 WeakPolarHBondContact O-CG 3.28Å; S394-L398 PolarHBondContact O-N 3.44Å; L395-L398 HydrophobicContact CD1-CD1 4.49Å; L395-L398 WeakPolarHBondContact O-CB 3.24Å; L395-L398 PolarHBondContact O-N 2.92Å; L398-S402 WeakPolarHBondContact O-CB 3.5Å; L398-S402 PolarHBondContact O-N 3.11Å; L398-L416 HydrophobicContact CD2-CB 3.84Å; L398-L416 HydrophobicContact CD2-CD1 3.75Å; L398-L416 HydrophobicContact CD2-CD2 4.06Å; L398-L416 HydrophobicContact CD2-CG 4.1Å; L398-Y420 HydrophobicContact CD1-CD2 3.82Å; L398-Y420 HydrophobicContact CD1-CE2 4.44Å; L398-Y420 HydrophobicContact CD1-CG 4.45Å; L398-F432 HydrophobicContact CD1-CZ 4.28Å; L398-L441 HydrophobicContact CB-CD1 4.3Å; L398-L441 HydrophobicContact CB-CD2 4.16Å
399C98.4Very high95.2Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-63.4-47176.9-64.50000110.6L239 L395 R396 L401 S402 V403 L435 L440L239-C399 HydrophobicContact CD1-CB 3.84Å; L239-C399 HydrophobicContact CD2-CB 4.08Å; L395-C399 PolarHBondContact O-N 3.35Å; L395-C399 PolarHBondContact O-SG 2.81Å; R396-C399 PolarHBondContact O-N 2.92Å; C399-L401 PolarHBondContact O-N 3.39Å; C399-S402 WeakPolarHBondContact O-CB 3.46Å; C399-S402 PolarHBondContact O-N 3.1Å; C399-S402 VanDerWaalsContact O-N 3.13Å; C399-V403 WeakPolarHBondContact O-CG1 3.32Å; C399-V403 WeakPolarHBondContact O-CG2 3.41Å; C399-V403 PolarHBondContact O-N 3.07Å; C399-L435 VanDerWaalsContact SG-CD2 3.6Å; C399-L440 WeakPolarHBondContact CA-O 3.44Å
400L98.1Very high95.3Very high1 Ų120.4 Ų20.41%0.00511%0.11CC..Hα-helixtrans-59.7-46.8179.6-172.663.4000111.5I236 E365 L368 L369 R396 L397 S402 V403 T404I236-L400 HydrophobicContact CG2-CD1 4.04Å; E365-L400 HydrophobicContact CB-CD2 4.3Å; E365-L400 HydrophobicContact CG-CD2 3.54Å; L368-L400 HydrophobicContact CB-CD2 4.21Å; L368-L400 HydrophobicContact CB-CG 4.29Å; L368-L400 HydrophobicContact CD1-CB 4.29Å; L368-L400 HydrophobicContact CD1-CD2 4.03Å; L368-L400 HydrophobicContact CD1-CG 4.17Å; L369-L400 HydrophobicContact CD2-CD1 4.19Å; R396-L400 WeakPolarHBondContact O-CB 3.5Å; R396-L400 PolarHBondContact O-N 3.26Å; L397-L400 PolarHBondContact O-N 2.94Å; L400-S402 VanDerWaalsContact C-N 3.31Å; L400-S402 PolarHBondContact O-N 2.92Å; L400-V403 HydrophobicContact CD1-CG2 4.26Å; L400-V403 WeakPolarHBondContact O-CG2 3.49Å; L400-V403 PolarHBondContact O-N 2.86Å; L400-T404 HydrophobicContact CD1-CG2 3.99Å; L400-T404 HydrophobicContact CG-CG2 4.3Å; L400-T404 WeakPolarHBondContact O-CB 3.45Å; L400-T404 VanDerWaalsContact O-CG2 3.27Å; L400-T404 WeakPolarHBondContact O-CG2 3.31Å; L400-T404 PolarHBondContact O-N 2.96Å; L400-T404 PolarHBondContact O-OG1 2.88Å
401L97.5Very high95.3Very high2 Ų227.1 Ų27.11%0.0114%0.135CC..Hα-helixtrans-57-45.4174.1173.566.9000111.5L368 I374 I378 I381 L397 C399 T404 E405 L408 L416L368-L401 HydrophobicContact CD1-CB 4.26Å; L368-L401 HydrophobicContact CD2-CB 3.99Å; L368-L401 HydrophobicContact CD2-CD1 3.46Å; L368-L401 VanDerWaalsContact CD2-CD1 3.46Å; L368-L401 HydrophobicContact CD2-CG 4.29Å; I374-L401 HydrophobicContact CG2-CD1 3.78Å; I378-L401 HydrophobicContact CD1-CD2 4.39Å; I378-L401 HydrophobicContact CG1-CD1 4.41Å; I378-L401 HydrophobicContact CG1-CD2 3.69Å; I381-L401 HydrophobicContact CD1-CB 4.28Å; I381-L401 HydrophobicContact CD1-CD2 4.12Å; L397-L401 WeakPolarHBondContact O-CB 3.47Å; L397-L401 PolarHBondContact O-N 3.36Å; C399-L401 PolarHBondContact O-N 3.39Å; L401-T404 PolarHBondContact O-OG1 3.35Å; L401-E405 HydrophobicContact CD1-CG 4.1Å; L401-E405 WeakPolarHBondContact O-CB 3.09Å; L401-E405 WeakPolarHBondContact O-CG 3.38Å; L401-E405 PolarHBondContact O-N 2.95Å; L401-E405 VanDerWaalsContact O-N 3.13Å; L401-L408 HydrophobicContact CB-CD2 4.27Å; L401-L408 HydrophobicContact CD2-CD2 3.53Å; L401-L408 HydrophobicContact CG-CD2 3.45Å; L401-L408 VanDerWaalsContact CG-CD2 3.45Å; L401-L416 HydrophobicContact CD2-CD1 4.42Å
402S96.9Very high95.3Very high1 Ų125.5 Ų25.51%0.00713%0.128CC..Hα-helixtrans-64-48.7179174.50000112L398 C399 L400 T404 E405 N406 G407 L440 L441 V442L398-S402 WeakPolarHBondContact O-CB 3.5Å; L398-S402 PolarHBondContact O-N 3.11Å; C399-S402 WeakPolarHBondContact O-CB 3.46Å; C399-S402 PolarHBondContact O-N 3.1Å; C399-S402 VanDerWaalsContact O-N 3.13Å; L400-S402 VanDerWaalsContact C-N 3.31Å; L400-S402 PolarHBondContact O-N 2.92Å; S402-T404 PolarHBondContact O-N 3.03Å; S402-E405 PolarHBondContact O-N 2.8Å; S402-N406 PolarHBondContact O-N 3.36Å; S402-G407 PolarHBondContact O-N 3.31Å; S402-L440 VanDerWaalsContact CB-O 3.32Å; S402-L440 WeakPolarHBondContact CB-O 2.98Å; S402-L440 PolarHBondContact OG-O 3.25Å; S402-L441 WeakPolarHBondContact OG-CA 3.44Å; S402-V442 PolarHBondContact OG-N 3.23Å; S402-V442 VanDerWaalsContact OG-N 3.08Å
403V94.8Very high95.4Very high23 Ų2325.3 Ų25.314%0.13913%0.126CC..Hα-helixtrans-70.3-31.7-177.1-60.20000112.7I236 L239 C399 L400 L440I236-V403 HydrophobicContact CD1-CG2 4.23Å; I236-V403 HydrophobicContact CG1-CB 4.34Å; I236-V403 HydrophobicContact CG1-CG2 3.65Å; L239-V403 HydrophobicContact CD1-CG2 4.34Å; C399-V403 WeakPolarHBondContact O-CG1 3.32Å; C399-V403 WeakPolarHBondContact O-CG2 3.41Å; C399-V403 PolarHBondContact O-N 3.07Å; L400-V403 HydrophobicContact CD1-CG2 4.26Å; L400-V403 WeakPolarHBondContact O-CG2 3.49Å; L400-V403 PolarHBondContact O-N 2.86Å; V403-L440 HydrophobicContact CG1-CD2 4.23Å
404T93.5Very high95.5Very high0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-76.1-28.5177.660.40000112.4L368 L400 L401 S402 S480 F482L368-T404 WeakPolarHBondContact O-CB 3.5Å; L368-T404 PolarHBondContact O-OG1 3.42Å; L400-T404 HydrophobicContact CD1-CG2 3.99Å; L400-T404 HydrophobicContact CG-CG2 4.3Å; L400-T404 WeakPolarHBondContact O-CB 3.45Å; L400-T404 VanDerWaalsContact O-CG2 3.27Å; L400-T404 WeakPolarHBondContact O-CG2 3.31Å; L400-T404 PolarHBondContact O-N 2.96Å; L400-T404 PolarHBondContact O-OG1 2.88Å; L401-T404 PolarHBondContact O-OG1 3.35Å; S402-T404 PolarHBondContact O-N 3.03Å; T404-S480 VanDerWaalsContact O-CB 3.23Å; T404-S480 WeakPolarHBondContact O-CB 3.45Å; T404-S480 PolarHBondContact O-OG 3.08Å; T404-F482 HydrophobicContact CG2-CD1 3.75Å; T404-F482 HydrophobicContact CG2-CE1 3.8Å
405E90.7Very high95.5Very high51 Ų5131.7 Ų31.724%0.23816%0.159CC..Hα-helixtrans-103.38.6-178.6-62.2-57.5117.400114.7I374 L401 S402 G407 Q444 R483I374-E405 HydrophobicContact CD1-CG 4.48Å; L401-E405 HydrophobicContact CD1-CG 4.1Å; L401-E405 WeakPolarHBondContact O-CB 3.09Å; L401-E405 WeakPolarHBondContact O-CG 3.38Å; L401-E405 PolarHBondContact O-N 2.95Å; L401-E405 VanDerWaalsContact O-N 3.13Å; S402-E405 PolarHBondContact O-N 2.8Å; E405-G407 VanDerWaalsContact C-N 3.35Å; E405-Q444 PolarHBondContact O-NE2 3.46Å; E405-R483 IonicContact OE1-CZ 3.97Å; E405-R483 IonicContact OE1-NE 2.65Å; E405-R483 PolarHBondContact OE1-NE 2.77Å; E405-R483 IonicContact OE1-NH2 2.66Å; E405-R483 PolarHBondContact OE1-NH2 3.45Å
406N89.7Confident95.6Very high63 Ų6331.8 Ų31.834%0.33716%0.159SC..THydrogen-bonded Turntrans55.646.5-175.2-86.317.2000112.8S402 S480 H481S402-N406 PolarHBondContact O-N 3.36Å; N406-S480 WeakPolarHBondContact ND2-CA 3.28Å; N406-H481 VanDerWaalsContact CG-N 3.33Å; N406-H481 PolarHBondContact ND2-CD2 2.99Å; N406-H481 PolarHBondContact ND2-N 3.41Å; N406-H481 PolarHBondContact OD1-N 3.27Å
407G92.1Very high95.6Very high1 Ų134.3 Ų34.31%0.0117%0.17CC..SBendtrans96.3164.4-17700000113.2S402 E405 V442 Q444S402-G407 PolarHBondContact O-N 3.31Å; E405-G407 VanDerWaalsContact C-N 3.35Å; G407-V442 CarbonylContact C-O 3.53Å; G407-V442 VanDerWaalsContact CA-O 3.25Å; G407-V442 WeakPolarHBondContact CA-O 3.29Å; G407-Q444 PolarHBondContact O-NE2 2.95Å
408L93.8Very high95.6Very high8 Ų836.2 Ų36.24%0.04219%0.186CC..BIsolated β-bridgetrans-93.3148.1178.9-53.3-171.8000111.3L401 F413 L416 L441 V442 Q444L401-L408 HydrophobicContact CB-CD2 4.27Å; L401-L408 HydrophobicContact CD2-CD2 3.53Å; L401-L408 HydrophobicContact CG-CD2 3.45Å; L401-L408 VanDerWaalsContact CG-CD2 3.45Å; L408-F413 HydrophobicContact CB-CB 3.92Å; L408-F413 HydrophobicContact CB-CD2 4.19Å; L408-F413 HydrophobicContact CD1-CD2 4.12Å; L408-F413 HydrophobicContact CG-CD2 4.39Å; L408-L416 HydrophobicContact CD1-CD1 4.03Å; L408-L441 HydrophobicContact CD1-CD1 3.72Å; L408-L441 HydrophobicContact CG-CD1 4.17Å; L408-V442 PolarHBondContact N-O 3.32Å; L408-Q444 WeakPolarHBondContact O-CG 3.49Å; L408-Q444 PolarHBondContact O-N 3.31Å
409L92.1Very high95.6Very high77 Ų7737.5 Ų37.540%0.40319%0.192SC..  trans-57.5141.8170.1-69.2173.9000110.2K411 D412 F413L409-K411 PolarHBondContact O-N 2.98Å; L409-D412 HydrophobicContact CB-CB 4.43Å; L409-D412 PolarHBondContact O-N 3.38Å; L409-F413 PolarHBondContact O-N 3.49Å
410P94Very high95.6Very high44 Ų4437.5 Ų37.529%0.28619%0.192SC..Hα-helixtrans-48.7-39.4-178.5-35.338.7000115.6K414 E443P410-K414 WeakPolarHBondContact O-CB 3.4Å; P410-K414 WeakPolarHBondContact O-CD 3.34Å; P410-K414 WeakPolarHBondContact O-CG 3.26Å; P410-K414 PolarHBondContact O-N 2.88Å; P410-E443 WeakPolarHBondContact CA-OE1 3.25Å; P410-E443 HydrophobicContact CB-CG 4.33Å; P410-E443 WeakPolarHBondContact CB-OE1 3.5Å; P410-E443 HydrophobicContact CG-CG 4.15Å
411K94.4Very high95.6Very high172 Ų17239 Ų3975%0.74820%0.2SC*.Hα-helixtrans-65.7-50.6177.2-177.8-174.7174.1-171.50111.3L409 K414 S415L409-K411 PolarHBondContact O-N 2.98Å; K411-K414 PolarHBondContact O-N 2.9Å; K411-S415 WeakPolarHBondContact O-CB 3.33Å; K411-S415 PolarHBondContact O-N 3.01Å
412D95.6Very high95.6Very high19 Ų1946.7 Ų46.710%0.10224%0.236CC..Hα-helixtrans-69.1-41.5-175.4-60.8-24000110R375 L409 K414 S415 L416R375-D412 IonicContact CZ-OD2 3.73Å; R375-D412 IonicContact NH1-OD1 3.33Å; R375-D412 PolarHBondContact NH1-OD1 2.84Å; R375-D412 IonicContact NH1-OD2 2.85Å; R375-D412 PolarHBondContact NH1-OD2 2.9Å; R375-D412 IonicContact NH2-OD2 3.82Å; L409-D412 HydrophobicContact CB-CB 4.43Å; L409-D412 PolarHBondContact O-N 3.38Å; D412-K414 PolarHBondContact O-N 2.95Å; D412-S415 PolarHBondContact O-N 3.23Å; D412-L416 VanDerWaalsContact O-CB 3.32Å; D412-L416 WeakPolarHBondContact O-CB 3.38Å; D412-L416 WeakPolarHBondContact O-CG 3.12Å; D412-L416 PolarHBondContact O-N 3.09Å
413F97.2Very high95.6Very high18 Ų1847.6 Ų47.68%0.07924%0.242CC..Hα-helixtrans-55.9-50.6173.9-173.6-95.2000112.3L408 L409 K417 F432 L441 E443L408-F413 HydrophobicContact CB-CB 3.92Å; L408-F413 HydrophobicContact CB-CD2 4.19Å; L408-F413 HydrophobicContact CD1-CD2 4.12Å; L408-F413 HydrophobicContact CG-CD2 4.39Å; L409-F413 PolarHBondContact O-N 3.49Å; F413-K417 HydrophobicContact CE1-CD 4.08Å; F413-K417 HydrophobicContact CZ-CD 4.48Å; F413-K417 WeakPolarHBondContact O-CB 3.31Å; F413-K417 PolarHBondContact O-N 3.49Å; F413-F432 HydrophobicContact CZ-CD1 4.43Å; F413-L441 HydrophobicContact CD2-CD1 4.49Å; F413-L441 HydrophobicContact CE2-CD1 4.29Å; F413-L441 HydrophobicContact CE2-CG 4.06Å; F413-E443 HydrophobicContact CB-CB 4.38Å; F413-E443 HydrophobicContact CB-CG 4.34Å; F413-E443 HydrophobicContact CD1-CB 3.96Å; F413-E443 HydrophobicContact CD1-CG 4.34Å; F413-E443 HydrophobicContact CD2-CB 4.17Å; F413-E443 HydrophobicContact CE1-CB 4.28Å; F413-E443 HydrophobicContact CE2-CB 4.46Å; F413-E443 HydrophobicContact CG-CB 3.91Å; F413-E443 HydrophobicContact CG-CG 4.33Å
414K97.1Very high95.7Very high134 Ų13448.6 Ų48.658%0.58324%0.244SC*.Hα-helixtrans-65.2-41.6-179.5-71.4172.4-171.11780111.7P410 K411 D412 A418P410-K414 WeakPolarHBondContact O-CB 3.4Å; P410-K414 WeakPolarHBondContact O-CD 3.34Å; P410-K414 WeakPolarHBondContact O-CG 3.26Å; P410-K414 PolarHBondContact O-N 2.88Å; K411-K414 PolarHBondContact O-N 2.9Å; D412-K414 PolarHBondContact O-N 2.95Å; K414-A418 VanDerWaalsContact O-CB 3.31Å; K414-A418 WeakPolarHBondContact O-CB 3.46Å; K414-A418 PolarHBondContact O-N 3.46Å
415S97.9Very high95.8Very high45 Ų4549.9 Ų49.932%0.31526%0.257SS..Hα-helixtrans-61.9-56.5177.3-175.50000111.3K411 D412 K417 A418 Q419K411-S415 WeakPolarHBondContact O-CB 3.33Å; K411-S415 PolarHBondContact O-N 3.01Å; D412-S415 PolarHBondContact O-N 3.23Å; S415-K417 VanDerWaalsContact C-N 3.35Å; S415-K417 PolarHBondContact O-N 3.18Å; S415-A418 PolarHBondContact O-N 2.81Å; S415-A418 VanDerWaalsContact O-N 3.13Å; S415-Q419 WeakPolarHBondContact O-CG 3.35Å; S415-Q419 PolarHBondContact O-N 3.15Å; S415-Q419 PolarHBondContact OG-NE2 3.49Å
416L98.4Very high96Very high1 Ų150.5 Ų50.51%0.00527%0.271CS..Hα-helixtrans-63.3-40.4-176.8-72.8165.8000111.8I378 I381 E382 I385 L398 L401 L408 D412 Q419 Y420I378-L416 HydrophobicContact CG2-CD1 4.44Å; I381-L416 HydrophobicContact CG2-CD2 4.09Å; E382-L416 HydrophobicContact CG-CD2 3.56Å; I385-L416 HydrophobicContact CD1-CD2 4.29Å; L398-L416 HydrophobicContact CD2-CB 3.84Å; L398-L416 HydrophobicContact CD2-CD1 3.75Å; L398-L416 HydrophobicContact CD2-CD2 4.06Å; L398-L416 HydrophobicContact CD2-CG 4.1Å; L401-L416 HydrophobicContact CD2-CD1 4.42Å; L408-L416 HydrophobicContact CD1-CD1 4.03Å; D412-L416 VanDerWaalsContact O-CB 3.32Å; D412-L416 WeakPolarHBondContact O-CB 3.38Å; D412-L416 WeakPolarHBondContact O-CG 3.12Å; D412-L416 PolarHBondContact O-N 3.09Å; L416-Q419 PolarHBondContact O-N 3.2Å; L416-Y420 VanDerWaalsContact O-CB 3.28Å; L416-Y420 WeakPolarHBondContact O-CB 3.44Å; L416-Y420 PolarHBondContact O-N 3.33Å
417K98.3Very high96.1Very high58 Ų5853.8 Ų53.825%0.25229%0.288SS..Hα-helixtrans-60.7-46.2173.4-179.2174.4-179.3179.20111.5F413 S415 Y420 L421 F432F413-K417 HydrophobicContact CE1-CD 4.08Å; F413-K417 HydrophobicContact CZ-CD 4.48Å; F413-K417 WeakPolarHBondContact O-CB 3.31Å; F413-K417 PolarHBondContact O-N 3.49Å; S415-K417 VanDerWaalsContact C-N 3.35Å; S415-K417 PolarHBondContact O-N 3.18Å; K417-Y420 PolarHBondContact O-N 3.17Å; K417-L421 HydrophobicContact CD-CD1 4.49Å; K417-L421 HydrophobicContact CG-CD1 3.82Å; K417-L421 HydrophobicContact CG-CG 4.33Å; K417-L421 WeakPolarHBondContact O-CB 3.4Å; K417-L421 WeakPolarHBondContact O-CG 3.07Å; K417-L421 PolarHBondContact O-N 3.4Å; K417-F432 HydrophobicContact CB-CD1 4.2Å; K417-F432 HydrophobicContact CB-CE1 3.63Å; K417-F432 HydrophobicContact CB-CZ 4.21Å; K417-F432 HydrophobicContact CD-CD1 3.75Å; K417-F432 HydrophobicContact CD-CE1 4.09Å; K417-F432 HydrophobicContact CD-CG 4.38Å; K417-F432 HydrophobicContact CG-CD1 3.73Å; K417-F432 HydrophobicContact CG-CE1 3.59Å; K417-F432 HydrophobicContact CG-CG 4.35Å; K417-F432 HydrophobicContact CG-CZ 4.12Å
418A98.3Very high96.3Very high41 Ų4154.9 Ų54.934%0.33929%0.293SS..Hα-helixtrans-62.5-47.3179.300000111.6K414 S415 Y420 L421 Q422K414-A418 VanDerWaalsContact O-CB 3.31Å; K414-A418 WeakPolarHBondContact O-CB 3.46Å; K414-A418 PolarHBondContact O-N 3.46Å; S415-A418 PolarHBondContact O-N 2.81Å; S415-A418 VanDerWaalsContact O-N 3.13Å; A418-Y420 PolarHBondContact O-N 2.84Å; A418-L421 PolarHBondContact O-N 3.18Å; A418-Q422 WeakPolarHBondContact O-CB 3.44Å; A418-Q422 WeakPolarHBondContact O-CG 3.33Å; A418-Q422 PolarHBondContact O-N 3.34Å
419Q98.4Very high96.4Very high28 Ų2858.6 Ų58.613%0.13131%0.313CS..Hα-helixtrans-58.9-47.3176.3-69.9176.660.300111.2E382 I385 N386 S415 L416 L421 Q422 S423E382-Q419 PolarHBondContact OE1-NE2 3.37Å; I385-Q419 HydrophobicContact CG2-CB 4.08Å; N386-Q419 PolarHBondContact ND2-OE1 3.04Å; N386-Q419 VanDerWaalsContact ND2-OE1 3.07Å; S415-Q419 WeakPolarHBondContact O-CG 3.35Å; S415-Q419 PolarHBondContact O-N 3.15Å; S415-Q419 PolarHBondContact OG-NE2 3.49Å; L416-Q419 PolarHBondContact O-N 3.2Å; Q419-L421 PolarHBondContact O-N 2.97Å; Q419-Q422 PolarHBondContact O-N 3.18Å; Q419-S423 WeakPolarHBondContact O-CB 3.22Å; Q419-S423 PolarHBondContact O-N 3.07Å; Q419-S423 PolarHBondContact O-OG 3.26Å
420Y98.4Very high96.6Very high0 Ų059.1 Ų59.10%032%0.315CS..Hα-helixtrans-60.6-47179.6-171.8-78000112.2I385 M391 L395 L398 L416 K417 A418 Q422 S423 Y424 H428 F432I385-Y420 HydrophobicContact CD1-CD2 4.27Å; I385-Y420 HydrophobicContact CG1-CD2 4.29Å; M391-Y420 WeakPolarHBondContact CG-OH 3.45Å; M391-Y420 PolarHBondContact O-OH 3.01Å; L395-Y420 HydrophobicContact CB-CE2 4.01Å; L395-Y420 HydrophobicContact CD1-CE2 4.07Å; L398-Y420 HydrophobicContact CD1-CD2 3.82Å; L398-Y420 HydrophobicContact CD1-CE2 4.44Å; L398-Y420 HydrophobicContact CD1-CG 4.45Å; L416-Y420 VanDerWaalsContact O-CB 3.28Å; L416-Y420 WeakPolarHBondContact O-CB 3.44Å; L416-Y420 PolarHBondContact O-N 3.33Å; K417-Y420 PolarHBondContact O-N 3.17Å; A418-Y420 PolarHBondContact O-N 2.84Å; Y420-Q422 VanDerWaalsContact C-N 3.33Å; Y420-Q422 PolarHBondContact O-N 3.4Å; Y420-S423 PolarHBondContact O-N 2.63Å; Y420-Y424 AromaticContact CD1-CD2 3.96Å; Y420-Y424 HydrophobicContact CD1-CD2 3.96Å; Y420-Y424 AromaticContact CD2-CD2 3.63Å; Y420-Y424 HydrophobicContact CD2-CD2 3.63Å; Y420-Y424 AromaticContact CD2-CE2 3.8Å; Y420-Y424 HydrophobicContact CD2-CE2 3.8Å; Y420-Y424 AromaticContact CE1-CD2 3.89Å; Y420-Y424 HydrophobicContact CE1-CD2 3.89Å; Y420-Y424 HydrophobicContact CE1-CG 4.39Å; Y420-Y424 AromaticContact CE2-CD2 3.56Å; Y420-Y424 HydrophobicContact CE2-CD2 3.56Å; Y420-Y424 AromaticContact CE2-CE2 3.76Å; Y420-Y424 HydrophobicContact CE2-CE2 3.76Å; Y420-Y424 AromaticContact CG-CD2 3.83Å; Y420-Y424 HydrophobicContact CG-CD2 3.83Å; Y420-Y424 HydrophobicContact CG-CE2 4.4Å; Y420-Y424 AromaticContact CZ-CD2 3.7Å; Y420-Y424 WeakPolarHBondContact O-CD2 3.08Å; Y420-Y424 PolarHBondContact O-N 2.75Å; Y420-H428 HydrophobicContact CD1-CB 4.33Å; Y420-H428 HydrophobicContact CE1-CB 3.84Å; Y420-H428 AromaticContact CE1-CD2 3.85Å; Y420-H428 AromaticContact CE1-CG 3.77Å; Y420-F432 AromaticContact CD1-CE2 3.57Å; Y420-F432 HydrophobicContact CD1-CE2 3.57Å; Y420-F432 HydrophobicContact CD1-CZ 4.2Å; Y420-F432 HydrophobicContact CE1-CE2 4.02Å; Y420-F432 AromaticContact CG-CE2 3.94Å; Y420-F432 HydrophobicContact CG-CE2 3.94Å; Y420-F432 HydrophobicContact CG-CZ 4.11Å
421L97.8Very high96.7Very high32 Ų3257.1 Ų57.117%0.16830%0.302CS..Hα-helixtrans-66.9-34.2179.9-66173000112.3K417 A418 Q419 G425 H428 L429K417-L421 HydrophobicContact CD-CD1 4.49Å; K417-L421 HydrophobicContact CG-CD1 3.82Å; K417-L421 HydrophobicContact CG-CG 4.33Å; K417-L421 WeakPolarHBondContact O-CB 3.4Å; K417-L421 WeakPolarHBondContact O-CG 3.07Å; K417-L421 PolarHBondContact O-N 3.4Å; A418-L421 PolarHBondContact O-N 3.18Å; Q419-L421 PolarHBondContact O-N 2.97Å; L421-G425 WeakPolarHBondContact CD2-O 3.38Å; L421-G425 CarbonylContact O-C 3.25Å; L421-G425 VanDerWaalsContact O-C 3.25Å; L421-G425 VanDerWaalsContact O-CA 3.25Å; L421-G425 WeakPolarHBondContact O-CA 3.45Å; L421-G425 PolarHBondContact O-N 3.12Å; L421-H428 HydrophobicContact CD2-CB 3.82Å; L421-L429 HydrophobicContact CD1-CD2 3.58Å; L421-L429 HydrophobicContact CD1-CG 4.03Å; L421-L429 HydrophobicContact CD2-CD2 4.47Å; L421-L429 HydrophobicContact CD2-CG 4.19Å
422Q97.5Very high96.8Very high164 Ų16449.3 Ų49.377%0.76627%0.268SS*.Hα-helixtrans-69.4-37.8174.7-72.7169.32.700111.9A418 Q419 Y420A418-Q422 WeakPolarHBondContact O-CB 3.44Å; A418-Q422 WeakPolarHBondContact O-CG 3.33Å; A418-Q422 PolarHBondContact O-N 3.34Å; Q419-Q422 PolarHBondContact O-N 3.18Å; Y420-Q422 VanDerWaalsContact C-N 3.33Å; Y420-Q422 PolarHBondContact O-N 3.4Å
423S97.9Very high96.9Very high21 Ų2151.5 Ų51.515%0.14729%0.285CS..Hα-helixtrans-77.1-39.7179.4-710000113.8I385 Q388 Q419 Y420I385-S423 WeakPolarHBondContact O-CB 3.44Å; I385-S423 PolarHBondContact O-OG 2.92Å; I385-S423 VanDerWaalsContact O-OG 3.05Å; Q388-S423 PolarHBondContact NE2-O 2.55Å; Q419-S423 WeakPolarHBondContact O-CB 3.22Å; Q419-S423 PolarHBondContact O-N 3.07Å; Q419-S423 PolarHBondContact O-OG 3.26Å; Y420-S423 PolarHBondContact O-N 2.63Å
424Y96.6Very high96.9Very high44 Ų4451.9 Ų51.917%0.17329%0.288CS..Hα-helixtrans-116.6-9.8-169.4-57.8-66.4000114.5I385 Q388 S390 M391 S394 Y420 H428I385-Y424 HydrophobicContact CB-CE2 4.46Å; I385-Y424 HydrophobicContact CG1-CE2 4.36Å; I385-Y424 HydrophobicContact CG2-CE2 4.11Å; Q388-Y424 HydrophobicContact CB-CE1 4.22Å; Q388-Y424 HydrophobicContact CG-CE1 4.42Å; S390-Y424 PolarHBondContact O-OH 2.73Å; M391-Y424 HydrophobicContact CB-CD1 3.77Å; M391-Y424 HydrophobicContact CB-CE1 3.88Å; M391-Y424 HydrophobicContact CB-CG 4.18Å; M391-Y424 HydrophobicContact CG-CD1 4.12Å; M391-Y424 HydrophobicContact CG-CG 4.06Å; S394-Y424 PolarHBondContact OG-OH 3.1Å; Y420-Y424 AromaticContact CD1-CD2 3.96Å; Y420-Y424 HydrophobicContact CD1-CD2 3.96Å; Y420-Y424 AromaticContact CD2-CD2 3.63Å; Y420-Y424 HydrophobicContact CD2-CD2 3.63Å; Y420-Y424 AromaticContact CD2-CE2 3.8Å; Y420-Y424 HydrophobicContact CD2-CE2 3.8Å; Y420-Y424 AromaticContact CE1-CD2 3.89Å; Y420-Y424 HydrophobicContact CE1-CD2 3.89Å; Y420-Y424 HydrophobicContact CE1-CG 4.39Å; Y420-Y424 AromaticContact CE2-CD2 3.56Å; Y420-Y424 HydrophobicContact CE2-CD2 3.56Å; Y420-Y424 AromaticContact CE2-CE2 3.76Å; Y420-Y424 HydrophobicContact CE2-CE2 3.76Å; Y420-Y424 AromaticContact CG-CD2 3.83Å; Y420-Y424 HydrophobicContact CG-CD2 3.83Å; Y420-Y424 HydrophobicContact CG-CE2 4.4Å; Y420-Y424 AromaticContact CZ-CD2 3.7Å; Y420-Y424 WeakPolarHBondContact O-CD2 3.08Å; Y420-Y424 PolarHBondContact O-N 2.75Å; Y424-H428 PolarHBondContact O-CD2 3.03Å
425G95.3Very high96.9Very high27 Ų2745.5 Ų45.528%0.27826%0.26SS..  trans114.9154.517400000114.4L421 D427 H428L421-G425 WeakPolarHBondContact CD2-O 3.38Å; L421-G425 CarbonylContact O-C 3.25Å; L421-G425 VanDerWaalsContact O-C 3.25Å; L421-G425 VanDerWaalsContact O-CA 3.25Å; L421-G425 WeakPolarHBondContact O-CA 3.45Å; L421-G425 PolarHBondContact O-N 3.12Å; G425-D427 VanDerWaalsContact C-N 3.28Å; G425-D427 PolarHBondContact O-N 3.03Å; G425-H428 PolarHBondContact O-N 3.2Å
426A95.1Very high96.8Very high64 Ų6450.6 Ų50.653%0.52927%0.273SS..THydrogen-bonded Turntrans-70.8-21.2-176.600000113.7H428 L429A426-H428 PolarHBondContact O-N 3.37Å; A426-H428 VanDerWaalsContact O-N 3.15Å; A426-L429 VanDerWaalsContact O-CB 3.27Å; A426-L429 WeakPolarHBondContact O-CB 3.36Å; A426-L429 VanDerWaalsContact O-CG 3.26Å; A426-L429 WeakPolarHBondContact O-CG 3.42Å; A426-L429 PolarHBondContact O-N 2.86Å
427D92.4Very high96.7Very high131 Ų13156.6 Ų56.670%0.70130%0.301SS*.THydrogen-bonded Turntrans-60.1-26.2179-60.7-24.8000111.9G425 L429 L430G425-D427 VanDerWaalsContact C-N 3.28Å; G425-D427 PolarHBondContact O-N 3.03Å; D427-L429 PolarHBondContact O-N 2.97Å; D427-L429 VanDerWaalsContact O-N 3.08Å; D427-L430 PolarHBondContact O-N 2.93Å
428H95.9Very high96.5Very high24 Ų2454.9 Ų54.911%0.11129%0.294CS..Hα-helixtrans-69.1-1.5173.6-65.4-59.7000114.4M391 Y420 L421 Y424 G425 A426 L430 T431 F432M391-H428 PolarHBondContact SD-CE1 3.19Å; M391-H428 PolarHBondContact SD-NE2 3.16Å; Y420-H428 HydrophobicContact CD1-CB 4.33Å; Y420-H428 HydrophobicContact CE1-CB 3.84Å; Y420-H428 AromaticContact CE1-CD2 3.85Å; Y420-H428 AromaticContact CE1-CG 3.77Å; L421-H428 HydrophobicContact CD2-CB 3.82Å; Y424-H428 PolarHBondContact O-CD2 3.03Å; G425-H428 PolarHBondContact O-N 3.2Å; A426-H428 PolarHBondContact O-N 3.37Å; A426-H428 VanDerWaalsContact O-N 3.15Å; H428-L430 PolarHBondContact O-N 3.16Å; H428-T431 PolarHBondContact ND1-OG1 2.97Å; H428-T431 WeakPolarHBondContact O-CB 3.21Å; H428-T431 PolarHBondContact O-N 3.08Å; H428-F432 WeakPolarHBondContact O-CD2 3.32Å; H428-F432 PolarHBondContact O-N 3.01Å
429L95.9Very high96.4Very high86 Ų8654.7 Ų54.745%0.4530%0.296SS..Hα-helixtrans-55-39.2165.7-80.7171.4000111.5L421 A426 D427 F432 S433L421-L429 HydrophobicContact CD1-CD2 3.58Å; L421-L429 HydrophobicContact CD1-CG 4.03Å; L421-L429 HydrophobicContact CD2-CD2 4.47Å; L421-L429 HydrophobicContact CD2-CG 4.19Å; A426-L429 VanDerWaalsContact O-CB 3.27Å; A426-L429 WeakPolarHBondContact O-CB 3.36Å; A426-L429 VanDerWaalsContact O-CG 3.26Å; A426-L429 WeakPolarHBondContact O-CG 3.42Å; A426-L429 PolarHBondContact O-N 2.86Å; D427-L429 PolarHBondContact O-N 2.97Å; D427-L429 VanDerWaalsContact O-N 3.08Å; L429-F432 PolarHBondContact O-N 3.17Å; L429-S433 PolarHBondContact O-N 2.97Å
430L95.4Very high96.3Very high88 Ų8853.4 Ų53.446%0.46129%0.29SS..Hα-helixtrans-71.3-40.1176.7-62.9176.4000111.1D427 H428 F432 S433 N434 D610D427-L430 PolarHBondContact O-N 2.93Å; H428-L430 PolarHBondContact O-N 3.16Å; L430-F432 PolarHBondContact O-N 3.42Å; L430-S433 WeakPolarHBondContact O-CA 3.26Å; L430-S433 VanDerWaalsContact O-CB 3.3Å; L430-S433 WeakPolarHBondContact O-CB 3.42Å; L430-S433 PolarHBondContact O-N 3.26Å; L430-S433 VanDerWaalsContact O-N 3.08Å; L430-N434 VanDerWaalsContact O-CG 3.27Å; L430-N434 PolarHBondContact O-N 3.02Å; L430-D610 HydrophobicContact CB-CB 4.21Å; L430-D610 HydrophobicContact CD1-CB 4.25Å; L430-D610 WeakPolarHBondContact CD1-OD2 3.46Å
431T96.5Very high96.2Very high2 Ų253.5 Ų53.51%0.01229%0.291CS..Hα-helixtrans-56.3-47.2171.6-51.10000111.8L395 H428 S433 N434 L435 L609L395-T431 HydrophobicContact CD2-CG2 3.72Å; H428-T431 PolarHBondContact ND1-OG1 2.97Å; H428-T431 WeakPolarHBondContact O-CB 3.21Å; H428-T431 PolarHBondContact O-N 3.08Å; T431-S433 VanDerWaalsContact C-N 3.28Å; T431-S433 PolarHBondContact O-N 3.37Å; T431-N434 PolarHBondContact O-N 3.34Å; T431-L435 HydrophobicContact CG2-CD1 4.14Å; T431-L435 HydrophobicContact CG2-CG 4.5Å; T431-L435 WeakPolarHBondContact O-CG 3.29Å; T431-L435 PolarHBondContact O-N 3.25Å; T431-L609 HydrophobicContact CG2-CD2 3.76Å
432F97.4Very high96.1Very high8 Ų853.7 Ų53.74%0.03529%0.293CS..Hα-helixtrans-63.3-34.5176-89.8-109.3000112.4L395 L398 F413 K417 Y420 H428 L429 L430 R436 L441L395-F432 HydrophobicContact CD1-CE2 4.24Å; L398-F432 HydrophobicContact CD1-CZ 4.28Å; F413-F432 HydrophobicContact CZ-CD1 4.43Å; K417-F432 HydrophobicContact CB-CD1 4.2Å; K417-F432 HydrophobicContact CB-CE1 3.63Å; K417-F432 HydrophobicContact CB-CZ 4.21Å; K417-F432 HydrophobicContact CD-CD1 3.75Å; K417-F432 HydrophobicContact CD-CE1 4.09Å; K417-F432 HydrophobicContact CD-CG 4.38Å; K417-F432 HydrophobicContact CG-CD1 3.73Å; K417-F432 HydrophobicContact CG-CE1 3.59Å; K417-F432 HydrophobicContact CG-CG 4.35Å; K417-F432 HydrophobicContact CG-CZ 4.12Å; Y420-F432 AromaticContact CD1-CE2 3.57Å; Y420-F432 HydrophobicContact CD1-CE2 3.57Å; Y420-F432 HydrophobicContact CD1-CZ 4.2Å; Y420-F432 HydrophobicContact CE1-CE2 4.02Å; Y420-F432 AromaticContact CG-CE2 3.94Å; Y420-F432 HydrophobicContact CG-CE2 3.94Å; Y420-F432 HydrophobicContact CG-CZ 4.11Å; H428-F432 WeakPolarHBondContact O-CD2 3.32Å; H428-F432 PolarHBondContact O-N 3.01Å; L429-F432 PolarHBondContact O-N 3.17Å; L430-F432 PolarHBondContact O-N 3.42Å; F432-R436 VanDerWaalsContact O-CB 3.31Å; F432-R436 WeakPolarHBondContact O-CB 3.24Å; F432-R436 PolarHBondContact O-N 3Å; F432-L441 HydrophobicContact CD1-CD2 3.82Å; F432-L441 HydrophobicContact CE1-CD2 3.46Å; F432-L441 VanDerWaalsContact CE1-CD2 3.46Å; F432-L441 HydrophobicContact CE1-CG 4.44Å; F432-L441 HydrophobicContact CZ-CD2 3.93Å
433S96.6Very high95.9Very high66 Ų6648.6 Ų48.646%0.46227%0.27SS..Hα-helixtrans-63.4-47.3173.3-168.70000111.1L429 L430 T431 R436 Q437L429-S433 PolarHBondContact O-N 2.97Å; L430-S433 WeakPolarHBondContact O-CA 3.26Å; L430-S433 VanDerWaalsContact O-CB 3.3Å; L430-S433 WeakPolarHBondContact O-CB 3.42Å; L430-S433 PolarHBondContact O-N 3.26Å; L430-S433 VanDerWaalsContact O-N 3.08Å; T431-S433 VanDerWaalsContact C-N 3.28Å; T431-S433 PolarHBondContact O-N 3.37Å; S433-R436 PolarHBondContact O-N 2.78Å; S433-Q437 PolarHBondContact O-N 3.26Å
434N97.4Very high95.5Very high25 Ų2550 Ų5013%0.13427%0.274CS..Hα-helixtrans-62-45.1178.7-65.1-17.3000111.7L166 L430 T431 R436 Q437 L438 L608L166-N434 HydrophobicContact CD1-CB 3.8Å; L166-N434 HydrophobicContact CD2-CB 3.95Å; L430-N434 VanDerWaalsContact O-CG 3.27Å; L430-N434 PolarHBondContact O-N 3.02Å; T431-N434 PolarHBondContact O-N 3.34Å; N434-R436 VanDerWaalsContact C-N 3.34Å; N434-R436 PolarHBondContact O-N 2.97Å; N434-Q437 WeakPolarHBondContact O-CB 3.34Å; N434-Q437 PolarHBondContact O-N 3.09Å; N434-L438 PolarHBondContact O-N 2.79Å; N434-L438 VanDerWaalsContact O-N 3.12Å; N434-L608 HydrophobicContact CB-CB 4.47Å; N434-L608 PolarHBondContact ND2-O 3.25Å
435L97.6Very high94.5Very high0 Ų052.8 Ų52.80%029%0.288CS..Hα-helixtrans-63.4-39.4177.1-70.7169.6000112.6L395 C399 T431 L438 G439 L440 L441 L605 L608L395-L435 HydrophobicContact CD1-CD1 3.49Å; L395-L435 VanDerWaalsContact CD1-CD1 3.49Å; L395-L435 HydrophobicContact CD2-CD1 4.05Å; L395-L435 HydrophobicContact CG-CD1 3.88Å; C399-L435 VanDerWaalsContact SG-CD2 3.6Å; T431-L435 HydrophobicContact CG2-CD1 4.14Å; T431-L435 HydrophobicContact CG2-CG 4.5Å; T431-L435 WeakPolarHBondContact O-CG 3.29Å; T431-L435 PolarHBondContact O-N 3.25Å; L435-L438 PolarHBondContact O-N 3.2Å; L435-G439 PolarHBondContact O-N 3.01Å; L435-L440 HydrophobicContact CB-CB 4.38Å; L435-L440 HydrophobicContact CD2-CB 3.78Å; L435-L440 HydrophobicContact CD2-CD1 3.77Å; L435-L440 HydrophobicContact CD2-CG 4.44Å; L435-L440 PolarHBondContact O-N 2.92Å; L435-L441 HydrophobicContact CB-CB 3.82Å; L435-L441 HydrophobicContact CD1-CB 4.26Å; L435-L441 HydrophobicContact CD1-CD2 4.12Å; L435-L441 PolarHBondContact O-N 3.45Å; L435-L605 HydrophobicContact CD2-CD2 4.12Å; L435-L608 HydrophobicContact CD2-CD1 3.54Å; L435-L608 HydrophobicContact CG-CD1 4.45Å
436R96.3Very high92.7Very high153 Ų15355.9 Ų55.958%0.57730%0.303SS*.Hα-helixtrans-63.9-42.8175.2-179-175.4175.4-179.4-0111.1F432 S433 N434 L438 G439 L441 V442F432-R436 VanDerWaalsContact O-CB 3.31Å; F432-R436 WeakPolarHBondContact O-CB 3.24Å; F432-R436 PolarHBondContact O-N 3Å; S433-R436 PolarHBondContact O-N 2.78Å; N434-R436 VanDerWaalsContact C-N 3.34Å; N434-R436 PolarHBondContact O-N 2.97Å; R436-L438 VanDerWaalsContact C-N 3.27Å; R436-L438 PolarHBondContact O-N 3.21Å; R436-G439 PolarHBondContact O-N 3.1Å; R436-G439 VanDerWaalsContact O-N 3.1Å; R436-L441 WeakPolarHBondContact CA-O 3.42Å; R436-V442 HydrophobicContact CG-CG1 4.23Å
437Q95.7Very high90.7Very high127 Ų12755.2 Ų55.259%0.59330%0.303SS*.Hα-helixtrans-60.9-36.8178.8-177.9174.1-12.400112.1L166 S433 N434 G439L166-Q437 HydrophobicContact CD1-CB 4.21Å; L166-Q437 HydrophobicContact CD1-CG 4.29Å; L166-Q437 PolarHBondContact O-NE2 3.06Å; S433-Q437 PolarHBondContact O-N 3.26Å; N434-Q437 WeakPolarHBondContact O-CB 3.34Å; N434-Q437 PolarHBondContact O-N 3.09Å; Q437-G439 VanDerWaalsContact C-N 3.32Å
438L95.3Very high88.5Confident22 Ų2255.1 Ų55.112%0.11530%0.298CS..THydrogen-bonded Turntrans-82.4-3.5176.3-70.2174.8000114.5F161 F165 L166 N434 L435 R436 L440 L608F161-L438 HydrophobicContact CE1-CD1 4.3Å; F161-L438 HydrophobicContact CZ-CD1 4.02Å; F165-L438 HydrophobicContact CB-CD2 3.95Å; F165-L438 WeakPolarHBondContact O-CD2 3.5Å; L166-L438 HydrophobicContact CB-CD1 4.39Å; L166-L438 HydrophobicContact CB-CD2 4.35Å; L166-L438 HydrophobicContact CD1-CD1 4.27Å; L166-L438 HydrophobicContact CD1-CG 4.04Å; N434-L438 PolarHBondContact O-N 2.79Å; N434-L438 VanDerWaalsContact O-N 3.12Å; L435-L438 PolarHBondContact O-N 3.2Å; R436-L438 VanDerWaalsContact C-N 3.27Å; R436-L438 PolarHBondContact O-N 3.21Å; L438-L440 HydrophobicContact CB-CD1 4.05Å; L438-L440 HydrophobicContact CB-CG 4.09Å; L438-L440 HydrophobicContact CD1-CD1 4.02Å; L438-L440 PolarHBondContact O-N 3.33Å; L438-L608 HydrophobicContact CD1-CD1 3.72Å; L438-L608 HydrophobicContact CD1-CD2 3.33Å; L438-L608 HydrophobicContact CD1-CG 4.17Å
439G94.3Very high86.1Confident37 Ų3757 Ų5738%0.38131%0.311SS..THydrogen-bonded Turntrans736.4-174.700000114.8L435 R436 Q437L435-G439 PolarHBondContact O-N 3.01Å; R436-G439 PolarHBondContact O-N 3.1Å; R436-G439 VanDerWaalsContact O-N 3.1Å; Q437-G439 VanDerWaalsContact C-N 3.32Å
440L96.6Very high83.3Confident0 Ų058 Ų580%032%0.317CS..SBendtrans-72.6-36-179-75.4171.1000112.7F235 L239 C399 S402 V403 L435 L438 L608F235-L440 HydrophobicContact CB-CD2 3.51Å; F235-L440 HydrophobicContact CD1-CD2 3.98Å; F235-L440 HydrophobicContact CD2-CD2 3.68Å; F235-L440 HydrophobicContact CD2-CG 4.21Å; F235-L440 HydrophobicContact CE2-CD2 4.34Å; F235-L440 HydrophobicContact CE2-CG 4.41Å; F235-L440 HydrophobicContact CG-CD2 3.47Å; F235-L440 VanDerWaalsContact CG-CD2 3.47Å; F235-L440 HydrophobicContact CG-CG 4.34Å; L239-L440 HydrophobicContact CD1-CD2 4.11Å; C399-L440 WeakPolarHBondContact CA-O 3.44Å; S402-L440 VanDerWaalsContact CB-O 3.32Å; S402-L440 WeakPolarHBondContact CB-O 2.98Å; S402-L440 PolarHBondContact OG-O 3.25Å; V403-L440 HydrophobicContact CG1-CD2 4.23Å; L435-L440 HydrophobicContact CB-CB 4.38Å; L435-L440 HydrophobicContact CD2-CB 3.78Å; L435-L440 HydrophobicContact CD2-CD1 3.77Å; L435-L440 HydrophobicContact CD2-CG 4.44Å; L435-L440 PolarHBondContact O-N 2.92Å; L438-L440 HydrophobicContact CB-CD1 4.05Å; L438-L440 HydrophobicContact CB-CG 4.09Å; L438-L440 HydrophobicContact CD1-CD1 4.02Å; L438-L440 PolarHBondContact O-N 3.33Å; L440-L608 HydrophobicContact CD1-CD1 3.61Å
441L97.3Very high80.7Confident2 Ų258.8 Ų58.81%0.0133%0.325CS..SBendtrans-140100.6178.2-175.953.4000110.4L398 S402 L408 F413 F432 L435 R436L398-L441 HydrophobicContact CB-CD1 4.3Å; L398-L441 HydrophobicContact CB-CD2 4.16Å; S402-L441 WeakPolarHBondContact OG-CA 3.44Å; L408-L441 HydrophobicContact CD1-CD1 3.72Å; L408-L441 HydrophobicContact CG-CD1 4.17Å; F413-L441 HydrophobicContact CD2-CD1 4.49Å; F413-L441 HydrophobicContact CE2-CD1 4.29Å; F413-L441 HydrophobicContact CE2-CG 4.06Å; F432-L441 HydrophobicContact CD1-CD2 3.82Å; F432-L441 HydrophobicContact CE1-CD2 3.46Å; F432-L441 VanDerWaalsContact CE1-CD2 3.46Å; F432-L441 HydrophobicContact CE1-CG 4.44Å; F432-L441 HydrophobicContact CZ-CD2 3.93Å; L435-L441 HydrophobicContact CB-CB 3.82Å; L435-L441 HydrophobicContact CD1-CB 4.26Å; L435-L441 HydrophobicContact CD1-CD2 4.12Å; L435-L441 PolarHBondContact O-N 3.45Å; R436-L441 WeakPolarHBondContact CA-O 3.42Å
442V95Very high77.9Confident37 Ų3762.6 Ų62.622%0.22435%0.349CS..  trans-129.1150-172.6-60.40000112.6S402 G407 L408 R436S402-V442 PolarHBondContact OG-N 3.23Å; S402-V442 VanDerWaalsContact OG-N 3.08Å; G407-V442 CarbonylContact C-O 3.53Å; G407-V442 VanDerWaalsContact CA-O 3.25Å; G407-V442 WeakPolarHBondContact CA-O 3.29Å; L408-V442 PolarHBondContact N-O 3.32Å; R436-V442 HydrophobicContact CG-CG1 4.23Å
443E93.8Very high75.1Confident57 Ų5766.6 Ų66.627%0.26637%0.368SS..BIsolated β-bridgetrans-85.7131.2169.2-176.4177.1-178.400109.3P410 F413 Q445P410-E443 WeakPolarHBondContact CA-OE1 3.25Å; P410-E443 HydrophobicContact CB-CG 4.33Å; P410-E443 WeakPolarHBondContact CB-OE1 3.5Å; P410-E443 HydrophobicContact CG-CG 4.15Å; F413-E443 HydrophobicContact CB-CB 4.38Å; F413-E443 HydrophobicContact CB-CG 4.34Å; F413-E443 HydrophobicContact CD1-CB 3.96Å; F413-E443 HydrophobicContact CD1-CG 4.34Å; F413-E443 HydrophobicContact CD2-CB 4.17Å; F413-E443 HydrophobicContact CE1-CB 4.28Å; F413-E443 HydrophobicContact CE2-CB 4.46Å; F413-E443 HydrophobicContact CG-CB 3.91Å; F413-E443 HydrophobicContact CG-CG 4.33Å; E443-Q445 PolarHBondContact O-N 2.86Å
444Q88.3Confident72.4Confident50 Ų5071.3 Ų71.323%0.23438%0.383CS..PPolyproline II helixtrans-63.2132.4175.8-69.3-176.6600111.1E405 G407 L408E405-Q444 PolarHBondContact O-NE2 3.46Å; G407-Q444 PolarHBondContact O-NE2 2.95Å; L408-Q444 WeakPolarHBondContact O-CG 3.49Å; L408-Q444 PolarHBondContact O-N 3.31Å
445Q76.9Confident69.9Low102 Ų10274.2 Ų74.248%0.47741%0.405SS..PPolyproline II helixtrans-79.1136.4179.1-66.4-62.4-36.100111.6E443 G447E443-Q445 PolarHBondContact O-N 2.86Å; Q445-G447 PolarHBondContact O-N 3.36Å; Q445-G447 VanDerWaalsContact O-N 3.1Å
446P57.9Low67.2Low92 Ų9280.5 Ų80.560%0.59743%0.433SS*.THydrogen-bonded Turntrans-61.3-20.2-177.7-23.532.6000115.5
447G52Low64.7Low50 Ų5076.8 Ų76.852%0.51543%0.427SS..THydrogen-bonded Turntrans-85.4-23.5-172.100000116.1Q445 T449Q445-G447 PolarHBondContact O-N 3.36Å; Q445-G447 VanDerWaalsContact O-N 3.1Å; G447-T449 PolarHBondContact O-N 3.24Å
448E47.5Very low62.3Low129 Ų12974.2 Ų74.260%0.60343%0.434SS*.THydrogen-bonded Turntrans-72.3-13.9179.3-72.7-179159.700112.3K478E448-K478 WeakPolarHBondContact O-CE 3.4Å; E448-K478 PolarHBondContact O-NZ 3.12Å; E448-K478 VanDerWaalsContact O-NZ 3.1Å
449T44.6Very low59.8Low64 Ų6482.3 Ų82.339%0.39347%0.468SS..THydrogen-bonded Turntrans-90.1-26.8-172.7-34.10000113.2G447 K478G447-T449 PolarHBondContact O-N 3.24Å; T449-K478 WeakPolarHBondContact OG1-CE 3.34Å; T449-K478 PolarHBondContact OG1-NZ 2.91Å
450L37.3Very low57.6Low107 Ų10786.8 Ų86.856%0.5648%0.483SS*.Hα-helixtrans-87.5-37-168.9-73.9157.9000113V452 M453 E454L450-V452 VanDerWaalsContact C-N 3.3Å; L450-V452 PolarHBondContact O-N 3.07Å; L450-M453 PolarHBondContact O-N 3.23Å; L450-E454 PolarHBondContact O-N 2.61Å
451T40.7Very low55.2Low105 Ų10592.2 Ų92.264%0.64452%0.516SS*.Hα-helixtrans-68-24-177.439.20000114.2
452V38.5Very low52.8Low82 Ų8299.7 Ų99.750%0.49756%0.556SS.*Hα-helixtrans-86.3-31.5175.7-177.90000111.8L450 S455L450-V452 VanDerWaalsContact C-N 3.3Å; L450-V452 PolarHBondContact O-N 3.07Å; V452-S455 PolarHBondContact O-N 3.09Å; V452-S455 PolarHBondContact O-OG 2.85Å; V452-S455 VanDerWaalsContact O-OG 3.05Å
453M37.4Very low50.6Low92 Ų92104.8 Ų104.845%0.45358%0.582SS.*Hα-helixtrans-61.5-44.6179.1-100.7177.7142.200112L450 S455 K456 V457 F473L450-M453 PolarHBondContact O-N 3.23Å; M453-S455 VanDerWaalsContact C-N 3.34Å; M453-S455 PolarHBondContact O-N 3.4Å; M453-K456 PolarHBondContact O-N 3.09Å; M453-V457 WeakPolarHBondContact O-CB 3.34Å; M453-V457 WeakPolarHBondContact O-CG2 3.16Å; M453-V457 PolarHBondContact O-N 3.33Å; M453-F473 HydrophobicContact CE-CE1 4.23Å
454E40Very low48.5Very low165 Ų165114 Ų11477%0.77161%0.614SS**Hα-helixtrans-65.9-33-176.7-69.4-178.4154.100113.2L450 K456L450-E454 PolarHBondContact O-N 2.61Å; E454-K456 PolarHBondContact O-N 3.05Å
455S44.6Very low46.3Very low85 Ų85116 Ų11659%0.59463%0.63SS**Hα-helixtrans-76.3-20.8-177.170.70000114.9V452 M453V452-S455 PolarHBondContact O-N 3.09Å; V452-S455 PolarHBondContact O-OG 2.85Å; V452-S455 VanDerWaalsContact O-OG 3.05Å; M453-S455 VanDerWaalsContact C-N 3.34Å; M453-S455 PolarHBondContact O-N 3.4Å
456K42.2Very low44.9Very low133 Ų133115.2 Ų115.258%0.57864%0.641SS**Hα-helixtrans-119.9-22.2-174.5-78.3-175177.3-179.60115.1M453 E454 G458 K459M453-K456 PolarHBondContact O-N 3.09Å; E454-K456 PolarHBondContact O-N 3.05Å; K456-G458 PolarHBondContact O-N 3.25Å; K456-K459 PolarHBondContact O-N 2.86Å; K456-K459 VanDerWaalsContact O-N 3.1Å
457V43.8Very low44.4Very low75 Ų75114 Ų11446%0.45565%0.645SS.*Hα-helixtrans-62.8-31173.4172.60000110.7M453 K459 L460 V461M453-V457 WeakPolarHBondContact O-CB 3.34Å; M453-V457 WeakPolarHBondContact O-CG2 3.16Å; M453-V457 PolarHBondContact O-N 3.33Å; V457-K459 PolarHBondContact O-N 3.01Å; V457-L460 PolarHBondContact O-N 2.88Å; V457-V461 HydrophobicContact CG1-CG2 4.24Å; V457-V461 VanDerWaalsContact O-CG2 3.25Å; V457-V461 WeakPolarHBondContact O-CG2 3.27Å
458G43.4Very low44Very low73 Ų73120 Ų12075%0.75366%0.657SS**THydrogen-bonded Turntrans-59.5-11.9173.200000115.9K456K456-G458 PolarHBondContact O-N 3.25Å
459K44.2Very low43.8Very low191 Ų191117.4 Ų117.483%0.8365%0.647SS**THydrogen-bonded Turntrans-107.8-9.3179.5-81.4-175.2174.9-179.70115.5K456 V457K456-K459 PolarHBondContact O-N 2.86Å; K456-K459 VanDerWaalsContact O-N 3.1Å; V457-K459 PolarHBondContact O-N 3.01Å
460L47.4Very low43.9Very low131 Ų131119 Ų11969%0.68666%0.657SS**THydrogen-bonded Turntrans-116.74.3-169.1-87.4154.8000115V457 N462V457-L460 PolarHBondContact O-N 2.88Å; L460-N462 PolarHBondContact O-N 3.27Å; L460-N462 VanDerWaalsContact O-N 3.12Å
461V46.6Very low44.1Very low114 Ų114119.7 Ų119.769%0.69166%0.661SS**THydrogen-bonded Turntrans-76.47.2-176.3-167.20000114.1V457V457-V461 HydrophobicContact CG1-CG2 4.24Å; V457-V461 VanDerWaalsContact O-CG2 3.25Å; V457-V461 WeakPolarHBondContact O-CG2 3.27Å
462N47.5Very low44Very low160 Ų160116.8 Ų116.886%0.85665%0.648SS**THydrogen-bonded Turntrans-98.6-0.8-175.7-88.410.4000117.2L460L460-N462 PolarHBondContact O-N 3.27Å; L460-N462 VanDerWaalsContact O-N 3.12Å
463D48.3Very low44Very low144 Ų144118.1 Ų118.177%0.7765%0.647SS**  trans-123.1113.7178.8-105.4-32000114.2T465D463-T465 PolarHBondContact O-N 3.36Å
464R49.3Very low44.3Very low250 Ų250117.6 Ų117.694%0.94365%0.652SS**  trans-83.584.5179.5-74.6-179.6173.7177.8-1.5110.9
465T42.3Very low44.3Very low91 Ų91114.4 Ų114.456%0.55865%0.648SS**  trans-142.295.315938.20000110.7D463 G467 L469D463-T465 PolarHBondContact O-N 3.36Å; T465-G467 PolarHBondContact O-N 2.77Å; T465-L469 WeakPolarHBondContact O-CG 3.44Å
466A48.4Very low44Very low87 Ų87115.3 Ų115.372%0.71965%0.646SS**THydrogen-bonded Turntrans-70.7-21.1-171.500000115.3
467G46.2Very low44.2Very low66 Ų66111.9 Ų111.968%0.6864%0.643SS**THydrogen-bonded Turntrans-86-18.9-173.900000116.1T465T465-G467 PolarHBondContact O-N 2.77Å
468K44.9Very low44.5Very low175 Ų175112.3 Ų112.376%0.76164%0.638SS**SBendtrans-99.2-2.4175.5-71.9-174.8176.5-178.10113.1
469L41.8Very low45.2Very low76 Ų76116.1 Ų116.140%0.39863%0.634SS.*Hα-helixtrans-75.8-34.7-179.9-76.7169.6000111.4T465 D471 A472 F473T465-L469 WeakPolarHBondContact O-CG 3.44Å; L469-D471 PolarHBondContact O-N 3.3Å; L469-A472 CarbonylContact O-C 3.54Å; L469-A472 PolarHBondContact O-N 2.93Å; L469-F473 HydrophobicContact CB-CD2 4.09Å; L469-F473 HydrophobicContact CB-CE2 4.34Å; L469-F473 HydrophobicContact CD2-CD2 4.39Å; L469-F473 HydrophobicContact CD2-CE2 4.15Å; L469-F473 VanDerWaalsContact O-CB 3.26Å; L469-F473 WeakPolarHBondContact O-CB 3.16Å; L469-F473 WeakPolarHBondContact O-CD2 3.04Å; L469-F473 PolarHBondContact O-N 3.19Å
470T46.2Very low46.7Very low97 Ų97107.3 Ų107.360%0.59560%0.597SS**Hα-helixtrans-61.7-38.9-177.543.60000113.6F473 S474T470-F473 PolarHBondContact O-N 3.1Å; T470-S474 PolarHBondContact O-N 3.4Å; T470-S474 VanDerWaalsContact O-N 3.1Å; T470-S474 PolarHBondContact O-OG 3.4Å
471D42.1Very low48.6Very low121 Ų121105.2 Ų105.265%0.64758%0.583SS**Hα-helixtrans-79.1-27.6176.9-63.8-21.9000112.7L469 S474 S475L469-D471 PolarHBondContact O-N 3.3Å; D471-S474 WeakPolarHBondContact CA-OG 3.47Å; D471-S474 PolarHBondContact O-OG 2.79Å; D471-S475 WeakPolarHBondContact O-CB 3.3Å; D471-S475 PolarHBondContact O-N 3.25Å; D471-S475 VanDerWaalsContact O-N 3.16Å
472A39.2Very low50.8Low44 Ų44100.1 Ų100.136%0.36455%0.552SS.*Hα-helixtrans-74.9-27.6170.100000112.2L469 S475 L476L469-A472 CarbonylContact O-C 3.54Å; L469-A472 PolarHBondContact O-N 2.93Å; A472-S475 CarbonylContact O-C 3.55Å; A472-S475 WeakPolarHBondContact O-CB 3.43Å; A472-S475 PolarHBondContact O-N 3.32Å; A472-L476 WeakPolarHBondContact O-CD1 3.36Å; A472-L476 WeakPolarHBondContact O-CG 3.48Å; A472-L476 PolarHBondContact O-N 3.26Å
473F37.3Very low52.8Low110 Ų11094.1 Ų94.148%0.48252%0.517SS..Hα-helixtrans-78.3-29.9176.6-96.6-92.3000112.6M453 L469 T470 L476M453-F473 HydrophobicContact CE-CE1 4.23Å; L469-F473 HydrophobicContact CB-CD2 4.09Å; L469-F473 HydrophobicContact CB-CE2 4.34Å; L469-F473 HydrophobicContact CD2-CD2 4.39Å; L469-F473 HydrophobicContact CD2-CE2 4.15Å; L469-F473 VanDerWaalsContact O-CB 3.26Å; L469-F473 WeakPolarHBondContact O-CB 3.16Å; L469-F473 WeakPolarHBondContact O-CD2 3.04Å; L469-F473 PolarHBondContact O-N 3.19Å; T470-F473 PolarHBondContact O-N 3.1Å; F473-L476 HydrophobicContact CG-CD1 4.45Å; F473-L476 PolarHBondContact O-N 3.46Å
474S45.3Very low54.9Low81 Ų8187.8 Ų87.857%0.56648%0.484SS*.Hα-helixtrans-71.5-33.716555.40000111.7T470 D471 L476 A477T470-S474 PolarHBondContact O-N 3.4Å; T470-S474 VanDerWaalsContact O-N 3.1Å; T470-S474 PolarHBondContact O-OG 3.4Å; D471-S474 WeakPolarHBondContact CA-OG 3.47Å; D471-S474 PolarHBondContact O-OG 2.79Å; S474-L476 VanDerWaalsContact C-N 3.29Å; S474-L476 PolarHBondContact O-N 3.12Å; S474-A477 VanDerWaalsContact O-CB 3.28Å; S474-A477 WeakPolarHBondContact O-CB 3.47Å; S474-A477 PolarHBondContact O-N 3.24Å
475S39Very low57.1Low98 Ų9876.2 Ų76.269%0.68544%0.441SS*.Hα-helixtrans-69.2-21.6171177.50000114.3D471 A472 A477D471-S475 WeakPolarHBondContact O-CB 3.3Å; D471-S475 PolarHBondContact O-N 3.25Å; D471-S475 VanDerWaalsContact O-N 3.16Å; A472-S475 CarbonylContact O-C 3.55Å; A472-S475 WeakPolarHBondContact O-CB 3.43Å; A472-S475 PolarHBondContact O-N 3.32Å; S475-A477 PolarHBondContact O-N 2.83Å
476L39.8Very low59.5Low104 Ų10472.5 Ų72.555%0.54542%0.419SS..THydrogen-bonded Turntrans-78.29.3170.4-84.6155.5000113.2A472 F473 S474 K478A472-L476 WeakPolarHBondContact O-CD1 3.36Å; A472-L476 WeakPolarHBondContact O-CG 3.48Å; A472-L476 PolarHBondContact O-N 3.26Å; F473-L476 HydrophobicContact CG-CD1 4.45Å; F473-L476 PolarHBondContact O-N 3.46Å; S474-L476 VanDerWaalsContact C-N 3.29Å; S474-L476 PolarHBondContact O-N 3.12Å; L476-K478 PolarHBondContact O-N 3.4Å; L476-K478 VanDerWaalsContact O-N 3.12Å
477A45.5Very low61.7Low62 Ų6274.7 Ų74.751%0.51241%0.409SS..  trans-40.4121.316600000109.5S474 S475 K479S474-A477 VanDerWaalsContact O-CB 3.28Å; S474-A477 WeakPolarHBondContact O-CB 3.47Å; S474-A477 PolarHBondContact O-N 3.24Å; S475-A477 PolarHBondContact O-N 2.83Å; A477-K479 PolarHBondContact O-N 3.39Å; A477-K479 VanDerWaalsContact O-N 3.13Å
478K49.9Very low64Low83 Ų8375.8 Ų75.836%0.36140%0.395SS..  trans-46.4128.6163.6-62.6177.4-158.5162.30106.8E448 T449 L476 S480E448-K478 WeakPolarHBondContact O-CE 3.4Å; E448-K478 PolarHBondContact O-NZ 3.12Å; E448-K478 VanDerWaalsContact O-NZ 3.1Å; T449-K478 WeakPolarHBondContact OG1-CE 3.34Å; T449-K478 PolarHBondContact OG1-NZ 2.91Å; L476-K478 PolarHBondContact O-N 3.4Å; L476-K478 VanDerWaalsContact O-N 3.12Å; K478-S480 PolarHBondContact O-N 3.22Å
479K59Low66.4Low154 Ų15467.8 Ų67.867%0.6736%0.361SS*.  trans-59105.8-176.1-67.7176.4176.8177.30107.8A477A477-K479 PolarHBondContact O-N 3.39Å; A477-K479 VanDerWaalsContact O-N 3.13Å
480S74.5Confident69Low6 Ų668.2 Ų68.24%0.04236%0.363CS..  trans-51.5144.3170.1129.90000108.9T404 N406 K478 F482 R483 A484T404-S480 VanDerWaalsContact O-CB 3.23Å; T404-S480 WeakPolarHBondContact O-CB 3.45Å; T404-S480 PolarHBondContact O-OG 3.08Å; N406-S480 WeakPolarHBondContact ND2-CA 3.28Å; K478-S480 PolarHBondContact O-N 3.22Å; S480-F482 PolarHBondContact O-N 2.95Å; S480-F482 PolarHBondContact OG-N 2.84Å; S480-R483 WeakPolarHBondContact O-CB 3.19Å; S480-R483 PolarHBondContact O-N 2.89Å; S480-R483 VanDerWaalsContact O-N 3.07Å; S480-R483 WeakPolarHBondContact OG-CG 3.24Å; S480-R483 PolarHBondContact OG-N 2.94Å; S480-R483 VanDerWaalsContact OG-N 3.12Å; S480-A484 PolarHBondContact O-N 3.3Å
481H88.6Confident71.3Confident87 Ų8763.6 Ų63.640%0.40334%0.335SS..Hα-helixtrans-58.9-44-179.3-71.6174.8000109.5N406 R483 A484 L485 L541N406-H481 VanDerWaalsContact CG-N 3.33Å; N406-H481 PolarHBondContact ND2-CD2 2.99Å; N406-H481 PolarHBondContact ND2-N 3.41Å; N406-H481 PolarHBondContact OD1-N 3.27Å; H481-R483 PolarHBondContact O-N 3.48Å; H481-A484 PolarHBondContact O-N 3.35Å; H481-L485 WeakPolarHBondContact O-CB 3.28Å; H481-L485 VanDerWaalsContact O-CG 3.28Å; H481-L485 WeakPolarHBondContact O-CG 3.44Å; H481-L485 PolarHBondContact O-N 2.91Å; H481-L541 HydrophobicContact CB-CD2 4.24Å
482F92.1Very high73.8Confident6 Ų658.6 Ų58.63%0.02631%0.309CS..Hα-helixtrans-59.2-45.5173.3177.2-115.4000112.5I236 L369 T404 S480 A484 L485 S486 L491 V492 Y515I236-F482 HydrophobicContact CD1-CB 3.97Å; I236-F482 HydrophobicContact CD1-CD1 4.24Å; I236-F482 HydrophobicContact CD1-CD2 3.04Å; I236-F482 HydrophobicContact CD1-CE2 3.42Å; I236-F482 VanDerWaalsContact CD1-CE2 3.42Å; I236-F482 HydrophobicContact CD1-CG 3.48Å; I236-F482 VanDerWaalsContact CD1-CG 3.48Å; I236-F482 HydrophobicContact CD1-CZ 4.16Å; I236-F482 HydrophobicContact CG2-CE2 4.33Å; L369-F482 HydrophobicContact CD2-CE1 4.34Å; L369-F482 HydrophobicContact CD2-CZ 3.92Å; L369-F482 WeakPolarHBondContact O-CE1 3.48Å; T404-F482 HydrophobicContact CG2-CD1 3.75Å; T404-F482 HydrophobicContact CG2-CE1 3.8Å; S480-F482 PolarHBondContact O-N 2.95Å; S480-F482 PolarHBondContact OG-N 2.84Å; F482-A484 VanDerWaalsContact C-N 3.27Å; F482-A484 PolarHBondContact O-N 3.22Å; F482-L485 PolarHBondContact O-N 3.45Å; F482-S486 VanDerWaalsContact O-CB 3.28Å; F482-S486 WeakPolarHBondContact O-CB 3.5Å; F482-S486 PolarHBondContact O-N 3.48Å; F482-L491 HydrophobicContact CE2-CD1 4.29Å; F482-V492 HydrophobicContact CZ-CG2 4.48Å; F482-Y515 HydrophobicContact CE2-CD2 4.35Å; F482-Y515 AromaticContact CE2-CE2 3.77Å; F482-Y515 HydrophobicContact CE2-CE2 3.77Å; F482-Y515 HydrophobicContact CZ-CD2 4.22Å; F482-Y515 HydrophobicContact CZ-CE2 4.1Å
483R90.4Very high76.1Confident35 Ų3557.4 Ų57.413%0.13230%0.297CS..Hα-helixtrans-61.2-36.3176.9-60.2-72.7173-136-14.2112.1L368 L369 E370 G371 E405 S480 H481 R487L368-R483 PolarHBondContact O-NH2 2.87Å; L369-R483 PolarHBondContact O-NH1 2.58Å; E370-R483 PolarHBondContact O-NH1 3.28Å; E370-R483 VanDerWaalsContact O-NH1 3.12Å; G371-R483 VanDerWaalsContact CA-NH1 3.29Å; G371-R483 VanDerWaalsContact N-CZ 3.33Å; E405-R483 IonicContact OE1-CZ 3.97Å; E405-R483 IonicContact OE1-NE 2.65Å; E405-R483 PolarHBondContact OE1-NE 2.77Å; E405-R483 IonicContact OE1-NH2 2.66Å; E405-R483 PolarHBondContact OE1-NH2 3.45Å; S480-R483 WeakPolarHBondContact O-CB 3.19Å; S480-R483 PolarHBondContact O-N 2.89Å; S480-R483 VanDerWaalsContact O-N 3.07Å; S480-R483 WeakPolarHBondContact OG-CG 3.24Å; S480-R483 PolarHBondContact OG-N 2.94Å; S480-R483 VanDerWaalsContact OG-N 3.12Å; H481-R483 PolarHBondContact O-N 3.48Å; R483-R487 WeakPolarHBondContact O-CG 2.9Å; R483-R487 PolarHBondContact O-N 3.49Å; R483-R487 PolarHBondContact O-NE 3.3Å
484A92.1Very high78Confident10 Ų1060.5 Ų60.58%0.08331%0.311CS..Hα-helixtrans-69.8-46.5175.900000111.7S480 H481 F482 R487 K488 L541S480-A484 PolarHBondContact O-N 3.3Å; H481-A484 PolarHBondContact O-N 3.35Å; F482-A484 VanDerWaalsContact C-N 3.27Å; F482-A484 PolarHBondContact O-N 3.22Å; A484-R487 PolarHBondContact O-N 3.19Å; A484-K488 WeakPolarHBondContact O-CG 3.28Å; A484-K488 PolarHBondContact O-N 3.24Å; A484-K488 VanDerWaalsContact O-N 3.09Å; A484-L541 HydrophobicContact CB-CD1 3.72Å; A484-L541 HydrophobicContact CB-CD2 4.36Å
485L94.4Very high78.9Confident7 Ų758.9 Ų58.94%0.03730%0.299CS..Hα-helixtrans-58.8-48.1174.6-72.1166.7000111.2H481 F482 R487 K488 L489 L491 L518 V538 L541 I542H481-L485 WeakPolarHBondContact O-CB 3.28Å; H481-L485 VanDerWaalsContact O-CG 3.28Å; H481-L485 WeakPolarHBondContact O-CG 3.44Å; H481-L485 PolarHBondContact O-N 2.91Å; F482-L485 PolarHBondContact O-N 3.45Å; L485-R487 VanDerWaalsContact C-N 3.33Å; L485-R487 PolarHBondContact O-N 3.48Å; L485-K488 PolarHBondContact O-N 3.29Å; L485-L489 HydrophobicContact CD2-CD1 4.48Å; L485-L489 WeakPolarHBondContact O-CB 3.28Å; L485-L489 PolarHBondContact O-N 3.22Å; L485-L491 HydrophobicContact CB-CD1 4.07Å; L485-L518 HydrophobicContact CD1-CD2 4.09Å; L485-V538 HydrophobicContact CD2-CB 4.32Å; L485-V538 HydrophobicContact CD2-CG1 3.79Å; L485-V538 HydrophobicContact CD2-CG2 4.5Å; L485-L541 HydrophobicContact CD1-CB 4.27Å; L485-L541 HydrophobicContact CD2-CB 3.84Å; L485-L541 HydrophobicContact CD2-CD1 4.03Å; L485-L541 HydrophobicContact CG-CB 3.95Å; L485-L541 HydrophobicContact CG-CD1 4.06Å; L485-I542 HydrophobicContact CD1-CG2 3.56Å; L485-I542 HydrophobicContact CD2-CG2 4.15Å; L485-I542 HydrophobicContact CG-CG2 4.5Å
486S94Very high80.1Confident14 Ų1463 Ų6310%0.09831%0.313CS..Hα-helixtrans-56.5-43.8179176.10000112.3F482 N490 L491 V492F482-S486 VanDerWaalsContact O-CB 3.28Å; F482-S486 WeakPolarHBondContact O-CB 3.5Å; F482-S486 PolarHBondContact O-N 3.48Å; S486-N490 CarbonylContact O-C 3.52Å; S486-N490 WeakPolarHBondContact O-CA 3.11Å; S486-N490 PolarHBondContact O-N 3.07Å; S486-L491 PolarHBondContact O-N 3.32Å; S486-V492 WeakPolarHBondContact OG-CB 3.26Å; S486-V492 VanDerWaalsContact OG-CG2 3.3Å; S486-V492 WeakPolarHBondContact OG-CG2 3.36Å; S486-V492 PolarHBondContact OG-N 3.29Å
487R93.1Very high81.6Confident132 Ų13265.2 Ų65.250%0.49832%0.321SS..Hα-helixtrans-67.3-37.8174.8-74.1-176.7-65.5-112.1-7.6113.5R483 A484 L485R483-R487 WeakPolarHBondContact O-CG 2.9Å; R483-R487 PolarHBondContact O-N 3.49Å; R483-R487 PolarHBondContact O-NE 3.3Å; A484-R487 PolarHBondContact O-N 3.19Å; L485-R487 VanDerWaalsContact C-N 3.33Å; L485-R487 PolarHBondContact O-N 3.48Å
488K94.8Very high83.3Confident90 Ų9071.3 Ų71.339%0.39134%0.339SS..Hα-helixtrans-76.4-37-175.7-76.2176.8176.3-69.40113.2A484 L485 E537 V538 L541A484-K488 WeakPolarHBondContact O-CG 3.28Å; A484-K488 PolarHBondContact O-N 3.24Å; A484-K488 VanDerWaalsContact O-N 3.09Å; L485-K488 PolarHBondContact O-N 3.29Å; K488-E537 WeakPolarHBondContact CE-OE1 3.36Å; K488-E537 WeakPolarHBondContact CE-OE2 3.31Å; K488-E537 IonicContact NZ-OE1 2.62Å; K488-E537 PolarHBondContact NZ-OE1 3.33Å; K488-E537 VanDerWaalsContact NZ-OE1 3.07Å; K488-E537 IonicContact NZ-OE2 3.37Å; K488-E537 PolarHBondContact NZ-OE2 3Å; K488-V538 HydrophobicContact CB-CG2 4.19Å; K488-V538 HydrophobicContact CD-CG2 4.15Å; K488-L541 HydrophobicContact CD-CD1 4.33Å
489L95.9Very high85.1Confident7 Ų768.9 Ų68.94%0.03733%0.328CS..Hα-helixtrans-104.40.2-176.3-63.1179000112.6L485 L491 L518 K521 I522 Q525 L535 V538L485-L489 HydrophobicContact CD2-CD1 4.48Å; L485-L489 WeakPolarHBondContact O-CB 3.28Å; L485-L489 PolarHBondContact O-N 3.22Å; L489-L491 VanDerWaalsContact C-N 3.32Å; L489-L491 HydrophobicContact CB-CD2 3.64Å; L489-L491 HydrophobicContact CB-CG 3.84Å; L489-L491 HydrophobicContact CD1-CD2 4.19Å; L489-L491 PolarHBondContact O-N 3.15Å; L489-L518 HydrophobicContact CD1-CD1 3.46Å; L489-L518 VanDerWaalsContact CD1-CD1 3.46Å; L489-K521 HydrophobicContact CB-CG 4.02Å; L489-K521 WeakPolarHBondContact O-CE 2.99Å; L489-I522 HydrophobicContact CD1-CG1 4.34Å; L489-Q525 HydrophobicContact CD2-CG 3.89Å; L489-L535 HydrophobicContact CD2-CD2 4.39Å; L489-V538 HydrophobicContact CD1-CG1 3.83Å; L489-V538 HydrophobicContact CD1-CG2 4.45Å; L489-V538 HydrophobicContact CD2-CG1 4.39Å; L489-V538 HydrophobicContact CD2-CG2 3.98Å; L489-V538 HydrophobicContact CG-CG1 4.36Å; L489-V538 HydrophobicContact CG-CG2 4.1Å
490N95.1Very high86.7Confident85 Ų8564.7 Ų64.746%0.45531%0.312SS..THydrogen-bonded Turntrans53.148.8-173.9-16747.5000111.8S486 V492S486-N490 CarbonylContact O-C 3.52Å; S486-N490 WeakPolarHBondContact O-CA 3.11Å; S486-N490 PolarHBondContact O-N 3.07Å; N490-V492 VanDerWaalsContact C-N 3.33Å
491L96Very high87.5Confident0 Ų066 Ų660%032%0.319CS..  trans-73.9-26.2-176.3-54.8174.7000112.6F482 L485 S486 L489 P493 Y515 V516 L518 K521F482-L491 HydrophobicContact CE2-CD1 4.29Å; L485-L491 HydrophobicContact CB-CD1 4.07Å; S486-L491 PolarHBondContact O-N 3.32Å; L489-L491 VanDerWaalsContact C-N 3.32Å; L489-L491 HydrophobicContact CB-CD2 3.64Å; L489-L491 HydrophobicContact CB-CG 3.84Å; L489-L491 HydrophobicContact CD1-CD2 4.19Å; L489-L491 PolarHBondContact O-N 3.15Å; L491-P493 WeakPolarHBondContact O-CD 3.28Å; L491-Y515 HydrophobicContact CB-CD2 4.07Å; L491-Y515 HydrophobicContact CB-CE2 3.92Å; L491-Y515 HydrophobicContact CD1-CE2 4.28Å; L491-Y515 CarbonylContact O-C 3.22Å; L491-Y515 VanDerWaalsContact O-CA 3.28Å; L491-Y515 WeakPolarHBondContact O-CA 3.41Å; L491-V516 PolarHBondContact O-N 3.29Å; L491-L518 HydrophobicContact CD1-CB 4.2Å; L491-L518 HydrophobicContact CD1-CD1 3.92Å; L491-L518 HydrophobicContact CD2-CD1 4.39Å; L491-K521 HydrophobicContact CD2-CB 3.77Å; L491-K521 HydrophobicContact CD2-CG 3.77Å
492V93.6Very high87.6Confident16 Ų1670.5 Ų70.510%0.09733%0.332CS..SBendtrans-110.7100.6173.9175.90000106.2L369 E370 F482 S486 N490 K494L369-V492 WeakPolarHBondContact O-CG2 3.3Å; E370-V492 HydrophobicContact CG-CG1 3.76Å; F482-V492 HydrophobicContact CZ-CG2 4.48Å; S486-V492 WeakPolarHBondContact OG-CB 3.26Å; S486-V492 VanDerWaalsContact OG-CG2 3.3Å; S486-V492 WeakPolarHBondContact OG-CG2 3.36Å; S486-V492 PolarHBondContact OG-N 3.29Å; N490-V492 VanDerWaalsContact C-N 3.33Å; V492-K494 PolarHBondContact O-N 3.38Å
493P87.9Confident87.6Confident19 Ų1975.4 Ų75.412%0.12336%0.363CS..  trans-57.6124.5-178.1-23.833.7000110.8L491 A508 G513 V516L491-P493 WeakPolarHBondContact O-CD 3.28Å; P493-A508 HydrophobicContact CG-CB 3.71Å; P493-G513 WeakPolarHBondContact CD-O 3.28Å; P493-G513 WeakPolarHBondContact CG-O 3.46Å; P493-V516 HydrophobicContact CG-CG2 4.28Å
494K77.1Confident87.7Confident175 Ų17575.5 Ų75.576%0.76137%0.367SS*.  trans-94.9101.4173.3-58.6-176.5-178.6-174.60108.2V492V492-K494 PolarHBondContact O-N 3.38Å
495S64.1Low87.8Confident46 Ų4681 Ų8132%0.32239%0.386SS..  trans-130.7135.316559.70000111.2E497 R505S495-E497 PolarHBondContact O-N 3.08Å; S495-E497 PolarHBondContact OG-O 3.38Å; S495-R505 VanDerWaalsContact CB-NH2 3.33Å; S495-R505 PolarHBondContact OG-NH2 3.12Å
496D63.9Low87.8Confident184 Ų18482.4 Ų82.498%0.98439%0.394SS*.SBendtrans-71.1-13.6168.7-59.7-39.7000111.6
497E70.8Confident88Confident152 Ų15282 Ų8271%0.7139%0.391SS*.SBendtrans-92.5142.4175.1-64-179.9176.400111.5S495S495-E497 PolarHBondContact O-N 3.08Å; S495-E497 PolarHBondContact OG-O 3.38Å
498E81.3Confident88.2Confident189 Ų18975.8 Ų75.888%0.88337%0.367SS*.  trans-59.7133.7174.6-168177.5-177.800110.9D500E498-D500 PolarHBondContact O-N 2.71Å
499Y89.4Confident88.3Confident33 Ų3372 Ų7213%0.12935%0.35CS..  trans-74.1109.9-178.1-166.3-75000110.6L501 R505 D506 A508 Y509Y499-L501 HydrophobicContact CD1-CD2 3.68Å; Y499-L501 HydrophobicContact CD1-CG 4.13Å; Y499-L501 HydrophobicContact CE1-CD2 3.84Å; Y499-L501 PolarHBondContact O-N 3.18Å; Y499-L501 VanDerWaalsContact O-N 3.09Å; Y499-R505 HydrophobicContact CE2-CG 4.19Å; Y499-D506 WeakPolarHBondContact CE2-OD1 3.33Å; Y499-D506 PolarHBondContact OH-O 3.29Å; Y499-D506 PolarHBondContact OH-OD1 2.97Å; Y499-A508 HydrophobicContact CE2-CB 4.26Å; Y499-Y509 PolarHBondContact OH-N 2.7Å
500D91.7Very high88.4Confident65 Ų6571.7 Ų71.735%0.34835%0.349SS..  trans-76.599.4177.7-166.7-15000111.5E498 R502 V503E498-D500 PolarHBondContact O-N 2.71Å; D500-R502 PolarHBondContact O-N 3.46Å; D500-R502 VanDerWaalsContact O-N 3.15Å; D500-R502 VanDerWaalsContact OD1-CB 3.24Å; D500-R502 WeakPolarHBondContact OD1-CB 3.37Å; D500-R502 WeakPolarHBondContact OD1-CG 3.48Å; D500-R502 IonicContact OD1-CZ 3.47Å; D500-R502 PolarHBondContact OD1-N 3.37Å; D500-R502 IonicContact OD1-NE 3.48Å; D500-R502 PolarHBondContact OD1-NE 3.39Å; D500-R502 IonicContact OD1-NH2 2.84Å; D500-R502 IonicContact OD2-CZ 3.07Å; D500-R502 IonicContact OD2-NE 3.55Å; D500-R502 PolarHBondContact OD2-NE 3.39Å; D500-R502 IonicContact OD2-NH2 2.61Å; D500-R502 PolarHBondContact OD2-NH2 3.31Å; D500-V503 CarbonylContact O-C 3.52Å; D500-V503 VanDerWaalsContact O-C 3.25Å; D500-V503 PolarHBondContact O-N 3.07Å; D500-V503 VanDerWaalsContact O-N 3.15Å
501L92.4Very high88.4Confident34 Ų3467.8 Ų67.818%0.17833%0.328CS..THydrogen-bonded Turntrans-66.7-11.5178.8-65.9166.2000114N294 Y499N294-L501 PolarHBondContact ND2-O 2.88Å; Y499-L501 HydrophobicContact CD1-CD2 3.68Å; Y499-L501 HydrophobicContact CD1-CG 4.13Å; Y499-L501 HydrophobicContact CE1-CD2 3.84Å; Y499-L501 PolarHBondContact O-N 3.18Å; Y499-L501 VanDerWaalsContact O-N 3.09Å
502R89.9Confident88.4Confident181 Ų18169.3 Ų69.368%0.68334%0.338SS*.THydrogen-bonded Turntrans-81.5-25.1175.3-57.1169.2-63.8179.73.8112D500D500-R502 PolarHBondContact O-N 3.46Å; D500-R502 VanDerWaalsContact O-N 3.15Å; D500-R502 VanDerWaalsContact OD1-CB 3.24Å; D500-R502 WeakPolarHBondContact OD1-CB 3.37Å; D500-R502 WeakPolarHBondContact OD1-CG 3.48Å; D500-R502 IonicContact OD1-CZ 3.47Å; D500-R502 PolarHBondContact OD1-N 3.37Å; D500-R502 IonicContact OD1-NE 3.48Å; D500-R502 PolarHBondContact OD1-NE 3.39Å; D500-R502 IonicContact OD1-NH2 2.84Å; D500-R502 IonicContact OD2-CZ 3.07Å; D500-R502 IonicContact OD2-NE 3.55Å; D500-R502 PolarHBondContact OD2-NE 3.39Å; D500-R502 IonicContact OD2-NH2 2.61Å; D500-R502 PolarHBondContact OD2-NH2 3.31Å
503V91.5Very high88.4Confident110 Ų11069 Ų6967%0.66734%0.339SS*.SBendtrans-131.772.1178.1-169.60000108D500 R505D500-V503 CarbonylContact O-C 3.52Å; D500-V503 VanDerWaalsContact O-C 3.25Å; D500-V503 PolarHBondContact O-N 3.07Å; D500-V503 VanDerWaalsContact O-N 3.15Å; V503-R505 PolarHBondContact O-N 3.49Å
504P93.5Very high88.7Confident36 Ų3668.3 Ų68.323%0.23433%0.334CS..  trans-62.8132.1-176.726.4-34.6000110.9Y509 F582P504-Y509 HydrophobicContact CB-CD1 3.98Å; P504-Y509 HydrophobicContact CB-CD2 4.34Å; P504-Y509 HydrophobicContact CB-CG 3.65Å; P504-Y509 HydrophobicContact CG-CD1 4.47Å; P504-Y509 HydrophobicContact CG-CD2 4.49Å; P504-Y509 HydrophobicContact CG-CG 4.19Å; P504-F582 HydrophobicContact CB-CE2 4.15Å; P504-F582 HydrophobicContact CG-CD2 4.5Å; P504-F582 HydrophobicContact CG-CE2 3.96Å
505R92.9Very high89.6Confident126 Ų12660 Ų6048%0.47530%0.298SS..  trans-94.1-18.2-177.367.1-178.3-178.5-155.8-8.5113.9S495 Y499 V503S495-R505 VanDerWaalsContact CB-NH2 3.33Å; S495-R505 PolarHBondContact OG-NH2 3.12Å; Y499-R505 HydrophobicContact CE2-CG 4.19Å; V503-R505 PolarHBondContact O-N 3.49Å
506D95.6Very high91.3Very high37 Ų3758.1 Ų58.120%0.19829%0.285CS..SBendtrans-153176.7-177.555.839.1000110.1Y499 A508 Y509 F582Y499-D506 WeakPolarHBondContact CE2-OD1 3.33Å; Y499-D506 PolarHBondContact OH-O 3.29Å; Y499-D506 PolarHBondContact OH-OD1 2.97Å; D506-A508 PolarHBondContact O-N 3.07Å; D506-A508 VanDerWaalsContact O-N 3.12Å; D506-A508 WeakPolarHBondContact OD1-CB 3.37Å; D506-A508 PolarHBondContact OD1-N 2.63Å; D506-Y509 WeakPolarHBondContact O-CD1 3.46Å; D506-F582 VanDerWaalsContact C-CE1 3.44Å
507M97.8Very high92.9Very high6 Ų649.3 Ų49.33%0.0324%0.238CC..G310 helixtrans-65.8-8.3179-68.7-179.5-73.300113.8Y509 I510 V516 C520 K521 E524 A579 F582 L583M507-Y509 PolarHBondContact O-N 3.44Å; M507-I510 WeakPolarHBondContact O-CG1 3.49Å; M507-V516 HydrophobicContact CB-CG1 4.05Å; M507-V516 HydrophobicContact CE-CG1 4.01Å; M507-C520 HydrophobicContact CE-CB 4.19Å; M507-C520 HydrophobicContact SD-CB 3.7Å; M507-K521 HydrophobicContact CE-CD 4.48Å; M507-E524 HydrophobicContact CE-CB 4.36Å; M507-A579 HydrophobicContact CB-CB 4.1Å; M507-A579 HydrophobicContact CG-CB 4.05Å; M507-A579 HydrophobicContact SD-CB 3.94Å; M507-F582 HydrophobicContact CG-CD1 3.79Å; M507-F582 HydrophobicContact CG-CE1 4.45Å; M507-L583 HydrophobicContact SD-CB 3.96Å; M507-L583 HydrophobicContact SD-CD2 4.34Å
508A97.1Very high94.2Very high0 Ų042.3 Ų42.30%021%0.205CC..G310 helixtrans-68.6-16.5-177.300000113.3P493 Y499 D506 I510 F511 S512 G513 Y515 V516P493-A508 HydrophobicContact CG-CB 3.71Å; Y499-A508 HydrophobicContact CE2-CB 4.26Å; D506-A508 PolarHBondContact O-N 3.07Å; D506-A508 VanDerWaalsContact O-N 3.12Å; D506-A508 WeakPolarHBondContact OD1-CB 3.37Å; D506-A508 PolarHBondContact OD1-N 2.63Å; A508-I510 PolarHBondContact O-N 3.47Å; A508-I510 VanDerWaalsContact O-N 3.1Å; A508-F511 CarbonylContact O-C 3.59Å; A508-F511 VanDerWaalsContact O-C 3.3Å; A508-F511 WeakPolarHBondContact O-CA 3.5Å; A508-F511 PolarHBondContact O-N 3.39Å; A508-S512 PolarHBondContact O-N 3.12Å; A508-G513 WeakPolarHBondContact O-CA 3.48Å; A508-G513 PolarHBondContact O-N 3.08Å; A508-Y515 VanDerWaalsContact CA-O 3.24Å; A508-Y515 WeakPolarHBondContact CA-O 3.41Å; A508-V516 HydrophobicContact CB-CG2 3.7Å
509Y97.1Very high95Very high12 Ų1233.3 Ų33.35%0.04716%0.163CC..G310 helixtrans-56.1-28.7179.586.9-85.9000113.2V244 N289 H291 Y499 P504 D506 M507 F511 S512 F582V244-Y509 HydrophobicContact CG1-CE2 4.05Å; N289-Y509 WeakPolarHBondContact O-CE2 3.41Å; N289-Y509 PolarHBondContact O-OH 2.98Å; H291-Y509 HydrophobicContact CB-CD2 4.38Å; H291-Y509 PolarHBondContact CD2-O 3.3Å; H291-Y509 VanDerWaalsContact CD2-O 3.23Å; Y499-Y509 PolarHBondContact OH-N 2.7Å; P504-Y509 HydrophobicContact CB-CD1 3.98Å; P504-Y509 HydrophobicContact CB-CD2 4.34Å; P504-Y509 HydrophobicContact CB-CG 3.65Å; P504-Y509 HydrophobicContact CG-CD1 4.47Å; P504-Y509 HydrophobicContact CG-CD2 4.49Å; P504-Y509 HydrophobicContact CG-CG 4.19Å; D506-Y509 WeakPolarHBondContact O-CD1 3.46Å; M507-Y509 PolarHBondContact O-N 3.44Å; Y509-F511 PolarHBondContact O-N 2.85Å; Y509-F511 VanDerWaalsContact O-N 3.16Å; Y509-S512 PolarHBondContact O-N 2.98Å; Y509-F582 HydrophobicContact CD1-CD2 4.21Å; Y509-F582 HydrophobicContact CD1-CG 4.42Å; Y509-F582 HydrophobicContact CE1-CB 3.84Å; Y509-F582 AromaticContact CE1-CD2 3.79Å; Y509-F582 HydrophobicContact CE1-CD2 3.79Å; Y509-F582 AromaticContact CE1-CG 3.84Å; Y509-F582 HydrophobicContact CE1-CG 3.84Å
510I96.9Very high95.4Very high0 Ų031.8 Ų31.80%016%0.157CC..G310 helixtrans-67.7-11.5178.175.2-177.1000113.1V243 V244 M507 A508 P517 S575 A579V243-I510 VanDerWaalsContact CG2-C 3.48Å; V243-I510 WeakPolarHBondContact CG2-O 3.44Å; V244-I510 HydrophobicContact CG1-CB 3.98Å; V244-I510 HydrophobicContact CG1-CG2 3.92Å; M507-I510 WeakPolarHBondContact O-CG1 3.49Å; A508-I510 PolarHBondContact O-N 3.47Å; A508-I510 VanDerWaalsContact O-N 3.1Å; I510-P517 HydrophobicContact CD1-CG 3.2Å; I510-P517 HydrophobicContact CG1-CG 4.3Å; I510-S575 WeakPolarHBondContact CD1-O 3.28Å; I510-A579 HydrophobicContact CD1-CB 3.76Å
511F96.5Very high95.7Very high2 Ų230.3 Ų30.31%0.00915%0.147CC..G310 helixtrans-131.840.7175.1-61.1-53.3000110.2T237 C240 S241 A508 Y509 G513 A514 Y515 P517T237-F511 HydrophobicContact CG2-CE2 4.11Å; T237-F511 HydrophobicContact CG2-CZ 4.05Å; C240-F511 HydrophobicContact CB-CD1 3.76Å; C240-F511 HydrophobicContact CB-CE1 3.37Å; C240-F511 HydrophobicContact CB-CE2 4.24Å; C240-F511 HydrophobicContact CB-CG 4.37Å; C240-F511 HydrophobicContact CB-CZ 3.64Å; S241-F511 WeakPolarHBondContact O-CD1 3.33Å; S241-F511 WeakPolarHBondContact O-CE1 3.3Å; A508-F511 CarbonylContact O-C 3.59Å; A508-F511 VanDerWaalsContact O-C 3.3Å; A508-F511 WeakPolarHBondContact O-CA 3.5Å; A508-F511 PolarHBondContact O-N 3.39Å; Y509-F511 PolarHBondContact O-N 2.85Å; Y509-F511 VanDerWaalsContact O-N 3.16Å; F511-G513 PolarHBondContact O-N 3.31Å; F511-A514 WeakPolarHBondContact O-CB 3.34Å; F511-A514 PolarHBondContact O-N 2.76Å; F511-Y515 AromaticContact CD2-CD1 3.55Å; F511-Y515 HydrophobicContact CD2-CD1 3.55Å; F511-Y515 HydrophobicContact CD2-CE1 4.34Å; F511-Y515 HydrophobicContact CD2-CG 4.38Å; F511-Y515 WeakPolarHBondContact CD2-O 3.19Å; F511-Y515 AromaticContact CE2-CD1 3.71Å; F511-Y515 HydrophobicContact CE2-CD1 3.71Å; F511-Y515 HydrophobicContact CE2-CE1 4.07Å; F511-Y515 HydrophobicContact CG-CD1 4.47Å; F511-P517 HydrophobicContact CD2-CG 4.43Å; F511-P517 HydrophobicContact CE2-CG 3.9Å
512S94.9Very high96Very high33 Ų3328.8 Ų28.823%0.23114%0.14CC..THydrogen-bonded Turntrans55.923.8176.1-52.20000115.6H291 A508 Y509 A514H291-S512 PolarHBondContact NE2-OG 3.4Å; A508-S512 PolarHBondContact O-N 3.12Å; Y509-S512 PolarHBondContact O-N 2.98Å; S512-A514 VanDerWaalsContact C-N 3.33Å
513G94.3Very high96.4Very high10 Ų1020.2 Ų20.210%0.10311%0.107CC..THydrogen-bonded Turntrans85.7-5.1-17700000115.1P493 A508 F511P493-G513 WeakPolarHBondContact CD-O 3.28Å; P493-G513 WeakPolarHBondContact CG-O 3.46Å; A508-G513 WeakPolarHBondContact O-CA 3.48Å; A508-G513 PolarHBondContact O-N 3.08Å; F511-G513 PolarHBondContact O-N 3.31Å
514A93.7Very high96.7Very high4 Ų416 Ų163%0.0338%0.081CC..SBendtrans-76.6-29.9-176.200000113.2H366 F511 S512H366-A514 HydrophobicContact CB-CB 3.97Å; H366-A514 VanDerWaalsContact CD2-CB 3.44Å; H366-A514 WeakPolarHBondContact CD2-CB 3.46Å; H366-A514 VanDerWaalsContact CG-CB 3.46Å; F511-A514 WeakPolarHBondContact O-CB 3.34Å; F511-A514 PolarHBondContact O-N 2.76Å; S512-A514 VanDerWaalsContact C-N 3.33Å
515Y96.9Very high96.9Very high0 Ų015.2 Ų15.20%07%0.074CC..  trans-153.1135.6-173.1173-117.9000113D234 I236 T237 L369 F482 L491 A508 F511 L518D234-Y515 PolarHBondContact OD1-OH 2.97Å; I236-Y515 HydrophobicContact CG2-CE1 3.97Å; I236-Y515 HydrophobicContact CG2-CE2 4.41Å; T237-Y515 WeakPolarHBondContact OG1-CE1 3.29Å; T237-Y515 PolarHBondContact OG1-OH 3.01Å; L369-Y515 HydrophobicContact CD1-CG 4.48Å; L369-Y515 HydrophobicContact CD2-CD2 4.39Å; L369-Y515 HydrophobicContact CD2-CG 4.19Å; F482-Y515 HydrophobicContact CE2-CD2 4.35Å; F482-Y515 AromaticContact CE2-CE2 3.77Å; F482-Y515 HydrophobicContact CE2-CE2 3.77Å; F482-Y515 HydrophobicContact CZ-CD2 4.22Å; F482-Y515 HydrophobicContact CZ-CE2 4.1Å; L491-Y515 HydrophobicContact CB-CD2 4.07Å; L491-Y515 HydrophobicContact CB-CE2 3.92Å; L491-Y515 HydrophobicContact CD1-CE2 4.28Å; L491-Y515 CarbonylContact O-C 3.22Å; L491-Y515 VanDerWaalsContact O-CA 3.28Å; L491-Y515 WeakPolarHBondContact O-CA 3.41Å; A508-Y515 VanDerWaalsContact CA-O 3.24Å; A508-Y515 WeakPolarHBondContact CA-O 3.41Å; F511-Y515 AromaticContact CD2-CD1 3.55Å; F511-Y515 HydrophobicContact CD2-CD1 3.55Å; F511-Y515 HydrophobicContact CD2-CE1 4.34Å; F511-Y515 HydrophobicContact CD2-CG 4.38Å; F511-Y515 WeakPolarHBondContact CD2-O 3.19Å; F511-Y515 AromaticContact CE2-CD1 3.71Å; F511-Y515 HydrophobicContact CE2-CD1 3.71Å; F511-Y515 HydrophobicContact CE2-CE1 4.07Å; F511-Y515 HydrophobicContact CG-CD1 4.47Å; Y515-L518 WeakPolarHBondContact OH-CB 3.29Å; Y515-L518 PolarHBondContact OH-N 3.38Å
516V98.2Very high97.2Very high6 Ų69.2 Ų9.24%0.0365%0.051CC..  trans-94.4125.5167.4-179.20000108.4L491 P493 M507 A508 L518 K521L491-V516 PolarHBondContact O-N 3.29Å; P493-V516 HydrophobicContact CG-CG2 4.28Å; M507-V516 HydrophobicContact CB-CG1 4.05Å; M507-V516 HydrophobicContact CE-CG1 4.01Å; A508-V516 HydrophobicContact CB-CG2 3.7Å; V516-L518 PolarHBondContact O-N 3.06Å; V516-K521 HydrophobicContact CG1-CB 4.01Å; V516-K521 HydrophobicContact CG1-CD 4.22Å; V516-K521 HydrophobicContact CG1-CG 4.44Å
517P98.2Very high97.2Very high0 Ų08.4 Ų8.40%05%0.047CC..  trans-52.6123.1177.6-23.429.3000112.4T237 I510 F511 S519 C520 K521 A579T237-P517 HydrophobicContact CG2-CB 3.85Å; T237-P517 HydrophobicContact CG2-CG 4.27Å; T237-P517 WeakPolarHBondContact OG1-CA 3.41Å; I510-P517 HydrophobicContact CD1-CG 3.2Å; I510-P517 HydrophobicContact CG1-CG 4.3Å; F511-P517 HydrophobicContact CD2-CG 4.43Å; F511-P517 HydrophobicContact CE2-CG 3.9Å; P517-S519 VanDerWaalsContact C-N 3.3Å; P517-S519 PolarHBondContact O-N 3.31Å; P517-C520 HydrophobicContact CB-CB 3.99Å; P517-C520 HydrophobicContact CG-CB 4.48Å; P517-C520 PolarHBondContact O-N 3.03Å; P517-K521 WeakPolarHBondContact O-CB 3.42Å; P517-K521 PolarHBondContact O-N 2.93Å; P517-A579 HydrophobicContact CG-CB 4.25Å
518L98.2Very high97.1Very high5 Ų512.9 Ų12.93%0.0267%0.067CC..Hα-helixtrans-56.8-44.9179.3169.763.3000111.1V233 D234 L485 L489 L491 Y515 V516 C520 K521 I522 I542V233-L518 WeakPolarHBondContact O-CD2 3.4Å; D234-L518 HydrophobicContact CB-CB 4.16Å; D234-L518 HydrophobicContact CB-CD2 4.14Å; D234-L518 HydrophobicContact CB-CG 4.27Å; D234-L518 PolarHBondContact OD2-N 2.83Å; L485-L518 HydrophobicContact CD1-CD2 4.09Å; L489-L518 HydrophobicContact CD1-CD1 3.46Å; L489-L518 VanDerWaalsContact CD1-CD1 3.46Å; L491-L518 HydrophobicContact CD1-CB 4.2Å; L491-L518 HydrophobicContact CD1-CD1 3.92Å; L491-L518 HydrophobicContact CD2-CD1 4.39Å; Y515-L518 WeakPolarHBondContact OH-CB 3.29Å; Y515-L518 PolarHBondContact OH-N 3.38Å; V516-L518 PolarHBondContact O-N 3.06Å; L518-C520 PolarHBondContact O-N 3.34Å; L518-K521 PolarHBondContact O-N 3.41Å; L518-I522 HydrophobicContact CD1-CD1 3.67Å; L518-I522 HydrophobicContact CD1-CG1 3.94Å; L518-I522 HydrophobicContact CG-CD1 3.88Å; L518-I522 VanDerWaalsContact O-CG1 3.29Å; L518-I522 WeakPolarHBondContact O-CG1 3.36Å; L518-I522 PolarHBondContact O-N 3.13Å; L518-I542 HydrophobicContact CD2-CG2 4.11Å
519S97.8Very high97Very high0 Ų017.6 Ų17.60%09%0.085CC..Hα-helixtrans-55.2-49.217763.70000112.4D234 P517 I522 I523 E576D234-S519 PolarHBondContact OD2-N 3.01Å; D234-S519 PolarHBondContact OD2-OG 3.3Å; P517-S519 VanDerWaalsContact C-N 3.3Å; P517-S519 PolarHBondContact O-N 3.31Å; S519-I522 PolarHBondContact O-N 3Å; S519-I523 WeakPolarHBondContact O-CG1 3.43Å; S519-I523 PolarHBondContact O-N 3.45Å; S519-E576 PolarHBondContact OG-OE1 3.05Å
520C98.6Very high96.8Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-71.2-35.9-179.9-590000112M507 P517 L518 I523 E524 A579 L580M507-C520 HydrophobicContact CE-CB 4.19Å; M507-C520 HydrophobicContact SD-CB 3.7Å; P517-C520 HydrophobicContact CB-CB 3.99Å; P517-C520 HydrophobicContact CG-CB 4.48Å; P517-C520 PolarHBondContact O-N 3.03Å; L518-C520 PolarHBondContact O-N 3.34Å; C520-I523 PolarHBondContact O-N 2.89Å; C520-E524 PolarHBondContact O-N 3.28Å; C520-A579 HydrophobicContact CB-CB 4.25Å; C520-L580 HydrophobicContact CB-CD2 4.21Å
521K98.4Very high96.7Very high34 Ų3422 Ų2215%0.14811%0.111CC..Hα-helixtrans-67.1-38.6176.8-170.258.7174.9-178.30111.9L489 L491 M507 V516 P517 L518 I523 E524 Q525L489-K521 HydrophobicContact CB-CG 4.02Å; L489-K521 WeakPolarHBondContact O-CE 2.99Å; L491-K521 HydrophobicContact CD2-CB 3.77Å; L491-K521 HydrophobicContact CD2-CG 3.77Å; M507-K521 HydrophobicContact CE-CD 4.48Å; V516-K521 HydrophobicContact CG1-CB 4.01Å; V516-K521 HydrophobicContact CG1-CD 4.22Å; V516-K521 HydrophobicContact CG1-CG 4.44Å; P517-K521 WeakPolarHBondContact O-CB 3.42Å; P517-K521 PolarHBondContact O-N 2.93Å; L518-K521 PolarHBondContact O-N 3.41Å; K521-I523 VanDerWaalsContact C-N 3.34Å; K521-E524 WeakPolarHBondContact CD-OE2 3.05Å; K521-E524 WeakPolarHBondContact CE-OE2 3Å; K521-E524 IonicContact NZ-OE2 3.45Å; K521-E524 PolarHBondContact NZ-OE2 3.45Å; K521-E524 PolarHBondContact O-N 2.93Å; K521-Q525 HydrophobicContact CG-CG 4.44Å; K521-Q525 WeakPolarHBondContact O-CB 3.17Å; K521-Q525 VanDerWaalsContact O-CG 3.29Å; K521-Q525 WeakPolarHBondContact O-CG 3.41Å; K521-Q525 PolarHBondContact O-N 3.3Å
522I98Very high96.7Very high3 Ų323 Ų232%0.01512%0.115CC..Hα-helixtrans-60.1-46.5174-72.9166000110.1V233 L489 L518 S519 E524 Q525 V526 W532 I542V233-I522 HydrophobicContact CG1-CD1 4.07Å; L489-I522 HydrophobicContact CD1-CG1 4.34Å; L518-I522 HydrophobicContact CD1-CD1 3.67Å; L518-I522 HydrophobicContact CD1-CG1 3.94Å; L518-I522 HydrophobicContact CG-CD1 3.88Å; L518-I522 VanDerWaalsContact O-CG1 3.29Å; L518-I522 WeakPolarHBondContact O-CG1 3.36Å; L518-I522 PolarHBondContact O-N 3.13Å; S519-I522 PolarHBondContact O-N 3Å; I522-E524 PolarHBondContact O-N 3.05Å; I522-Q525 PolarHBondContact O-N 2.87Å; I522-V526 HydrophobicContact CG2-CG2 4.23Å; I522-V526 WeakPolarHBondContact O-CG2 3.11Å; I522-V526 PolarHBondContact O-N 3.48Å; I522-W532 HydrophobicContact CG2-CH2 3.52Å; I522-W532 HydrophobicContact CG2-CZ3 3.57Å; I522-I542 HydrophobicContact CD1-CD1 3.56Å
523I98.5Very high96.7Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-56.6-49.5176.3-66.6162.7000110.7F227 I229 S519 C520 K521 Q525 V526 L527 V566 L580 F591F227-I523 HydrophobicContact CD1-CG1 3.97Å; F227-I523 HydrophobicContact CD2-CG2 4.35Å; F227-I523 HydrophobicContact CE1-CB 4.49Å; F227-I523 HydrophobicContact CE1-CG1 4.34Å; F227-I523 HydrophobicContact CE1-CG2 4.37Å; F227-I523 HydrophobicContact CE2-CG2 4.16Å; F227-I523 HydrophobicContact CG-CG1 4.22Å; F227-I523 HydrophobicContact CZ-CG2 4.17Å; I229-I523 HydrophobicContact CD1-CD1 3.52Å; I229-I523 HydrophobicContact CD1-CG1 3.56Å; S519-I523 WeakPolarHBondContact O-CG1 3.43Å; S519-I523 PolarHBondContact O-N 3.45Å; C520-I523 PolarHBondContact O-N 2.89Å; K521-I523 VanDerWaalsContact C-N 3.34Å; I523-Q525 VanDerWaalsContact C-N 3.34Å; I523-Q525 PolarHBondContact O-N 3.37Å; I523-V526 PolarHBondContact O-N 2.85Å; I523-L527 HydrophobicContact CG2-CD1 3.73Å; I523-L527 HydrophobicContact CG2-CG 4.34Å; I523-L527 WeakPolarHBondContact O-CB 3.48Å; I523-L527 VanDerWaalsContact O-CG 3.26Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 3.26Å; I523-V566 HydrophobicContact CD1-CB 4.47Å; I523-V566 HydrophobicContact CD1-CG1 3.59Å; I523-V566 HydrophobicContact CD1-CG2 4.01Å; I523-L580 HydrophobicContact CD1-CD1 4.46Å; I523-L580 HydrophobicContact CD1-CD2 3.8Å; I523-L580 HydrophobicContact CG2-CD2 4.43Å; I523-F591 HydrophobicContact CG2-CE1 3.89Å; I523-F591 HydrophobicContact CG2-CZ 4.4Å
524E98.2Very high96.7Very high23 Ų2328.7 Ų28.711%0.10716%0.157CC..Hα-helixtrans-55.5-49.4176-179.9-178.2-145.600111.4M507 C520 K521 I522 V526 L527 E528 L583 K587M507-E524 HydrophobicContact CE-CB 4.36Å; C520-E524 PolarHBondContact O-N 3.28Å; K521-E524 WeakPolarHBondContact CD-OE2 3.05Å; K521-E524 WeakPolarHBondContact CE-OE2 3Å; K521-E524 IonicContact NZ-OE2 3.45Å; K521-E524 PolarHBondContact NZ-OE2 3.45Å; K521-E524 PolarHBondContact O-N 2.93Å; I522-E524 PolarHBondContact O-N 3.05Å; E524-V526 PolarHBondContact O-N 3.49Å; E524-L527 PolarHBondContact O-N 2.88Å; E524-E528 HydrophobicContact CG-CG 4.46Å; E524-E528 WeakPolarHBondContact O-CG 3.47Å; E524-E528 PolarHBondContact O-N 2.92Å; E524-L583 HydrophobicContact CB-CD1 4.11Å; E524-L583 HydrophobicContact CB-CD2 3.85Å; E524-L583 HydrophobicContact CG-CD1 3.84Å; E524-L583 HydrophobicContact CG-CD2 4.46Å; E524-K587 VanDerWaalsContact OE1-CE 3.32Å; E524-K587 WeakPolarHBondContact OE1-CE 3.22Å; E524-K587 IonicContact OE1-NZ 2.96Å; E524-K587 PolarHBondContact OE1-NZ 3.45Å
525Q97.9Very high96.8Very high19 Ų1928.8 Ų28.89%0.08916%0.157CC..Hα-helixtrans-66.1-35.5-176.6-70.4-52.6-79.900113.3L489 K521 I522 I523 E528 R529 L535L489-Q525 HydrophobicContact CD2-CG 3.89Å; K521-Q525 HydrophobicContact CG-CG 4.44Å; K521-Q525 WeakPolarHBondContact O-CB 3.17Å; K521-Q525 VanDerWaalsContact O-CG 3.29Å; K521-Q525 WeakPolarHBondContact O-CG 3.41Å; K521-Q525 PolarHBondContact O-N 3.3Å; I522-Q525 PolarHBondContact O-N 2.87Å; I523-Q525 VanDerWaalsContact C-N 3.34Å; I523-Q525 PolarHBondContact O-N 3.37Å; Q525-E528 PolarHBondContact NE2-OE2 3.35Å; Q525-R529 VanDerWaalsContact CB-NH1 3.34Å; Q525-R529 VanDerWaalsContact CD-NH1 3.26Å; Q525-R529 WeakPolarHBondContact O-CB 3.39Å; Q525-R529 WeakPolarHBondContact O-CD 3.33Å; Q525-R529 WeakPolarHBondContact O-CG 3.49Å; Q525-R529 PolarHBondContact O-N 2.96Å; Q525-R529 PolarHBondContact O-NH1 3.01Å; Q525-L535 HydrophobicContact CB-CD1 4.02Å; Q525-L535 HydrophobicContact CB-CD2 4.21Å
526V97.8Very high96.7Very high0 Ų033.1 Ų33.10%018%0.177CC..Hα-helixtrans-71.5-41176.3172.30000110.8Y194 F227 I522 I523 E524 R529 D530 G531 W532 L535Y194-V526 HydrophobicContact CD1-CG1 3.55Å; Y194-V526 HydrophobicContact CD2-CG1 4.35Å; Y194-V526 HydrophobicContact CE1-CG1 3.8Å; Y194-V526 HydrophobicContact CG-CG1 3.85Å; F227-V526 HydrophobicContact CE1-CB 3.81Å; F227-V526 HydrophobicContact CE1-CG1 3.62Å; F227-V526 HydrophobicContact CE1-CG2 4.48Å; F227-V526 HydrophobicContact CZ-CB 4.15Å; F227-V526 HydrophobicContact CZ-CG1 3.84Å; I522-V526 HydrophobicContact CG2-CG2 4.23Å; I522-V526 WeakPolarHBondContact O-CG2 3.11Å; I522-V526 PolarHBondContact O-N 3.48Å; I523-V526 PolarHBondContact O-N 2.85Å; E524-V526 PolarHBondContact O-N 3.49Å; V526-R529 PolarHBondContact O-N 3.31Å; V526-D530 WeakPolarHBondContact O-CA 3.27Å; V526-D530 PolarHBondContact O-N 3.36Å; V526-G531 PolarHBondContact O-N 3.23Å; V526-G531 VanDerWaalsContact O-N 3.12Å; V526-W532 HydrophobicContact CG2-CD2 3.85Å; V526-W532 HydrophobicContact CG2-CE3 3.63Å; V526-W532 HydrophobicContact CG2-CH2 3.81Å; V526-W532 HydrophobicContact CG2-CZ2 4.03Å; V526-W532 HydrophobicContact CG2-CZ3 3.62Å; V526-L535 HydrophobicContact CG2-CD1 3.82Å
527L96.1Very high96.4Very high20 Ų2037.3 Ų37.311%0.10520%0.196CC..Hα-helixtrans-62.8-41.9175.4-72.4168.8000112.2F227 I523 E524 R529 D530 I564 Y589 F591F227-L527 HydrophobicContact CE2-CD2 3.8Å; F227-L527 HydrophobicContact CE2-CG 4.05Å; F227-L527 HydrophobicContact CZ-CD2 3.93Å; F227-L527 HydrophobicContact CZ-CG 3.86Å; I523-L527 HydrophobicContact CG2-CD1 3.73Å; I523-L527 HydrophobicContact CG2-CG 4.34Å; I523-L527 WeakPolarHBondContact O-CB 3.48Å; I523-L527 VanDerWaalsContact O-CG 3.26Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 3.26Å; E524-L527 PolarHBondContact O-N 2.88Å; L527-R529 VanDerWaalsContact C-N 3.25Å; L527-R529 PolarHBondContact O-N 3.35Å; L527-D530 PolarHBondContact O-N 3.02Å; L527-I564 HydrophobicContact CD1-CD1 3.52Å; L527-I564 HydrophobicContact CD2-CD1 3.71Å; L527-I564 HydrophobicContact CG-CD1 4.27Å; L527-Y589 HydrophobicContact CD1-CD2 4.3Å; L527-Y589 HydrophobicContact CD1-CE2 4.06Å; L527-F591 HydrophobicContact CD1-CE1 4.27Å; L527-F591 HydrophobicContact CD1-CZ 4Å
528E95.3Very high96.3Very high100 Ų10037.7 Ų37.747%0.46720%0.199SC..Hα-helixtrans-64.5-30178.1-75.6178.8161.700113.1E524 Q525 K587E524-E528 HydrophobicContact CG-CG 4.46Å; E524-E528 WeakPolarHBondContact O-CG 3.47Å; E524-E528 PolarHBondContact O-N 2.92Å; Q525-E528 PolarHBondContact NE2-OE2 3.35Å; E528-K587 IonicContact OE1-NZ 3.56Å; E528-K587 PolarHBondContact OE1-NZ 3.45Å
529R95.2Very high96Very high99 Ų9937.5 Ų37.537%0.37420%0.198SC..Hα-helixtrans-100.6-7.7-177.1-67.2173.6-18069.4-3.4113.8Q525 V526 L527 G531 T533Q525-R529 VanDerWaalsContact CB-NH1 3.34Å; Q525-R529 VanDerWaalsContact CD-NH1 3.26Å; Q525-R529 WeakPolarHBondContact O-CB 3.39Å; Q525-R529 WeakPolarHBondContact O-CD 3.33Å; Q525-R529 WeakPolarHBondContact O-CG 3.49Å; Q525-R529 PolarHBondContact O-N 2.96Å; Q525-R529 PolarHBondContact O-NH1 3.01Å; V526-R529 PolarHBondContact O-N 3.31Å; L527-R529 VanDerWaalsContact C-N 3.25Å; L527-R529 PolarHBondContact O-N 3.35Å; R529-G531 PolarHBondContact O-N 3.05Å; R529-T533 VanDerWaalsContact CD-O 3.26Å; R529-T533 WeakPolarHBondContact CD-O 3.5Å
530D92.9Very high95.7Very high98 Ų9846 Ų4652%0.52423%0.23SC..THydrogen-bonded Turntrans56.434.6-173.4-160.833.2000113K192 Y194 V526 L527K192-D530 IonicContact NZ-OD1 3.48Å; K192-D530 PolarHBondContact NZ-OD1 3.29Å; K192-D530 IonicContact NZ-OD2 2.72Å; K192-D530 PolarHBondContact NZ-OD2 3.34Å; Y194-D530 PolarHBondContact OH-OD1 3.48Å; V526-D530 WeakPolarHBondContact O-CA 3.27Å; V526-D530 PolarHBondContact O-N 3.36Å; L527-D530 PolarHBondContact O-N 3.02Å
531G95.2Very high95.3Very high7 Ų747.5 Ų47.57%0.07224%0.238CC..SBendtrans155.2-174.1-174.700000114.2V526 R529V526-G531 PolarHBondContact O-N 3.23Å; V526-G531 VanDerWaalsContact O-N 3.12Å; R529-G531 PolarHBondContact O-N 3.05Å
532W96.2Very high94.9Very high21 Ų2146.6 Ų46.68%0.0823%0.234CC..SBendtrans-89.5-2.1-178-63.5101.7000114.3G195 I196 I522 V526 G534 L535 T539 E546 F547G195-W532 WeakPolarHBondContact O-CZ2 3.47Å; I196-W532 HydrophobicContact CB-CH2 3.69Å; I196-W532 HydrophobicContact CB-CZ2 3.99Å; I196-W532 HydrophobicContact CD1-CH2 3.72Å; I196-W532 HydrophobicContact CD1-CZ3 3.79Å; I196-W532 HydrophobicContact CG1-CH2 4.3Å; I196-W532 HydrophobicContact CG2-CH2 3.93Å; I196-W532 HydrophobicContact CG2-CZ2 4.44Å; I522-W532 HydrophobicContact CG2-CH2 3.52Å; I522-W532 HydrophobicContact CG2-CZ3 3.57Å; V526-W532 HydrophobicContact CG2-CD2 3.85Å; V526-W532 HydrophobicContact CG2-CE3 3.63Å; V526-W532 HydrophobicContact CG2-CH2 3.81Å; V526-W532 HydrophobicContact CG2-CZ2 4.03Å; V526-W532 HydrophobicContact CG2-CZ3 3.62Å; W532-G534 PolarHBondContact O-N 3.08Å; W532-L535 HydrophobicContact CE3-CB 4.47Å; W532-L535 HydrophobicContact CE3-CD1 4.09Å; W532-L535 WeakPolarHBondContact O-CB 3.46Å; W532-L535 PolarHBondContact O-N 2.93Å; W532-T539 HydrophobicContact CD2-CG2 4.48Å; W532-T539 HydrophobicContact CE3-CG2 3.64Å; W532-T539 HydrophobicContact CZ3-CG2 3.95Å; W532-E546 HydrophobicContact CB-CG 4.28Å; W532-E546 HydrophobicContact CD2-CB 3.75Å; W532-E546 HydrophobicContact CD2-CG 4.25Å; W532-E546 HydrophobicContact CE3-CB 4.13Å; W532-E546 HydrophobicContact CG-CB 4Å; W532-E546 HydrophobicContact CG-CG 4.04Å; W532-E546 HydrophobicContact CZ2-CB 4.27Å; W532-F547 PolarHBondContact NE1-O 3.49Å
533T95.3Very high94Very high111 Ų11152.4 Ų52.468%0.68127%0.266SS*.THydrogen-bonded Turntrans-58126.1-178.2-57.30000111.2R529 L535 E536R529-T533 VanDerWaalsContact CD-O 3.26Å; R529-T533 WeakPolarHBondContact CD-O 3.5Å; T533-L535 VanDerWaalsContact C-N 3.35Å; T533-E536 WeakPolarHBondContact CA-OE1 3.47Å
534G94.8Very high93.3Very high53 Ų5352.9 Ų52.955%0.54627%0.271SS..THydrogen-bonded Turntrans84.73.7-17600000114.7W532 E536W532-G534 PolarHBondContact O-N 3.08Å; G534-E536 VanDerWaalsContact C-OE2 3.24Å; G534-E536 WeakPolarHBondContact CA-OE2 3.37Å; G534-E536 VanDerWaalsContact N-CD 3.3Å; G534-E536 PolarHBondContact N-OE1 3Å; G534-E536 PolarHBondContact N-OE2 3.43Å; G534-E536 VanDerWaalsContact N-OE2 3.09Å
535L96.1Very high93.1Very high5 Ų556.1 Ų56.13%0.02629%0.286CS..  trans-110.311.6174-59.4177.3000112.8L489 Q525 V526 W532 T533 E537 V538 T539L489-L535 HydrophobicContact CD2-CD2 4.39Å; Q525-L535 HydrophobicContact CB-CD1 4.02Å; Q525-L535 HydrophobicContact CB-CD2 4.21Å; V526-L535 HydrophobicContact CG2-CD1 3.82Å; W532-L535 HydrophobicContact CE3-CB 4.47Å; W532-L535 HydrophobicContact CE3-CD1 4.09Å; W532-L535 WeakPolarHBondContact O-CB 3.46Å; W532-L535 PolarHBondContact O-N 2.93Å; T533-L535 VanDerWaalsContact C-N 3.35Å; L535-E537 VanDerWaalsContact C-N 3.27Å; L535-E537 PolarHBondContact O-N 3.15Å; L535-V538 HydrophobicContact CB-CB 4.38Å; L535-V538 HydrophobicContact CD2-CG2 4.43Å; L535-V538 CarbonylContact O-C 3.52Å; L535-V538 WeakPolarHBondContact O-CA 3.42Å; L535-V538 VanDerWaalsContact O-CB 3.31Å; L535-V538 WeakPolarHBondContact O-CB 3.34Å; L535-V538 PolarHBondContact O-N 3.43Å; L535-T539 PolarHBondContact O-N 2.79Å; L535-T539 PolarHBondContact O-OG1 3.5Å
536E93.9Very high93Very high92 Ų9258.7 Ų58.743%0.4330%0.298SS..Hα-helixtrans-63.9-28.5-171.2-57.879-174.100113.4T533 G534 T539 R540T533-E536 WeakPolarHBondContact CA-OE1 3.47Å; G534-E536 VanDerWaalsContact C-OE2 3.24Å; G534-E536 WeakPolarHBondContact CA-OE2 3.37Å; G534-E536 VanDerWaalsContact N-CD 3.3Å; G534-E536 PolarHBondContact N-OE1 3Å; G534-E536 PolarHBondContact N-OE2 3.43Å; G534-E536 VanDerWaalsContact N-OE2 3.09Å; E536-T539 PolarHBondContact O-OG1 2.85Å; E536-R540 WeakPolarHBondContact O-CB 3.32Å; E536-R540 VanDerWaalsContact O-CG 3.26Å; E536-R540 WeakPolarHBondContact O-CG 3.39Å; E536-R540 PolarHBondContact O-N 2.98Å; E536-R540 PolarHBondContact O-NE 2.95Å
537E91.9Very high93Very high93 Ų9360 Ų6044%0.43530%0.303SS..Hα-helixtrans-79.6-31.9172.3-160.5-179.4149.500112.1K488 L535 L541K488-E537 WeakPolarHBondContact CE-OE1 3.36Å; K488-E537 WeakPolarHBondContact CE-OE2 3.31Å; K488-E537 IonicContact NZ-OE1 2.62Å; K488-E537 PolarHBondContact NZ-OE1 3.33Å; K488-E537 VanDerWaalsContact NZ-OE1 3.07Å; K488-E537 IonicContact NZ-OE2 3.37Å; K488-E537 PolarHBondContact NZ-OE2 3Å; L535-E537 VanDerWaalsContact C-N 3.27Å; L535-E537 PolarHBondContact O-N 3.15Å; E537-L541 VanDerWaalsContact O-CG 3.28Å; E537-L541 WeakPolarHBondContact O-CG 3.35Å; E537-L541 PolarHBondContact O-N 3.47Å
538V95.3Very high93Very high9 Ų961.7 Ų61.76%0.05532%0.32CS..Hα-helixtrans-65.7-49.1175169.80000109.4L485 K488 L489 L535 R540 L541 I542L485-V538 HydrophobicContact CD2-CB 4.32Å; L485-V538 HydrophobicContact CD2-CG1 3.79Å; L485-V538 HydrophobicContact CD2-CG2 4.5Å; K488-V538 HydrophobicContact CB-CG2 4.19Å; K488-V538 HydrophobicContact CD-CG2 4.15Å; L489-V538 HydrophobicContact CD1-CG1 3.83Å; L489-V538 HydrophobicContact CD1-CG2 4.45Å; L489-V538 HydrophobicContact CD2-CG1 4.39Å; L489-V538 HydrophobicContact CD2-CG2 3.98Å; L489-V538 HydrophobicContact CG-CG1 4.36Å; L489-V538 HydrophobicContact CG-CG2 4.1Å; L535-V538 HydrophobicContact CB-CB 4.38Å; L535-V538 HydrophobicContact CD2-CG2 4.43Å; L535-V538 CarbonylContact O-C 3.52Å; L535-V538 WeakPolarHBondContact O-CA 3.42Å; L535-V538 VanDerWaalsContact O-CB 3.31Å; L535-V538 WeakPolarHBondContact O-CB 3.34Å; L535-V538 PolarHBondContact O-N 3.43Å; V538-R540 VanDerWaalsContact C-N 3.33Å; V538-R540 PolarHBondContact O-N 3.39Å; V538-L541 PolarHBondContact O-N 3.25Å; V538-L541 VanDerWaalsContact O-N 3.09Å; V538-I542 HydrophobicContact CG1-CD1 4.23Å; V538-I542 WeakPolarHBondContact O-CG1 3.42Å; V538-I542 PolarHBondContact O-N 2.96Å
539T93.9Very high93Very high1 Ų159.3 Ų59.31%0.00631%0.313CS..Hα-helixtrans-61-40.8179.459.60000111.5I196 W532 L535 E536 L541 I542 N543 G544 E546I196-T539 HydrophobicContact CD1-CG2 4.17Å; W532-T539 HydrophobicContact CD2-CG2 4.48Å; W532-T539 HydrophobicContact CE3-CG2 3.64Å; W532-T539 HydrophobicContact CZ3-CG2 3.95Å; L535-T539 PolarHBondContact O-N 2.79Å; L535-T539 PolarHBondContact O-OG1 3.5Å; E536-T539 PolarHBondContact O-OG1 2.85Å; T539-L541 VanDerWaalsContact C-N 3.3Å; T539-L541 PolarHBondContact O-N 2.99Å; T539-I542 CarbonylContact O-C 3.58Å; T539-I542 WeakPolarHBondContact O-CG1 3.46Å; T539-I542 PolarHBondContact O-N 2.99Å; T539-N543 PolarHBondContact O-N 3.41Å; T539-G544 VanDerWaalsContact O-CA 3.26Å; T539-G544 WeakPolarHBondContact O-CA 3.32Å; T539-G544 PolarHBondContact O-N 3.21Å; T539-E546 HydrophobicContact CG2-CB 3.9Å; T539-E546 HydrophobicContact CG2-CG 3.92Å; T539-E546 PolarHBondContact OG1-OE1 3.29Å
540R90.2Very high92.7Very high178 Ų17858.5 Ų58.567%0.67232%0.319SS*.Hα-helixtrans-60.9-33.2174.2-78.5-177.7-67.3179.42.7114.3E536 V538 I542E536-R540 WeakPolarHBondContact O-CB 3.32Å; E536-R540 VanDerWaalsContact O-CG 3.26Å; E536-R540 WeakPolarHBondContact O-CG 3.39Å; E536-R540 PolarHBondContact O-N 2.98Å; E536-R540 PolarHBondContact O-NE 2.95Å; V538-R540 VanDerWaalsContact C-N 3.33Å; V538-R540 PolarHBondContact O-N 3.39Å; R540-I542 VanDerWaalsContact C-N 3.29Å
541L90.3Very high92.1Very high31 Ų3155.3 Ų55.316%0.16231%0.309CS..Hα-helixtrans-75.4-18.4179.6-72.6167.6000113.3H481 A484 L485 K488 E537 V538 T539H481-L541 HydrophobicContact CB-CD2 4.24Å; A484-L541 HydrophobicContact CB-CD1 3.72Å; A484-L541 HydrophobicContact CB-CD2 4.36Å; L485-L541 HydrophobicContact CD1-CB 4.27Å; L485-L541 HydrophobicContact CD2-CB 3.84Å; L485-L541 HydrophobicContact CD2-CD1 4.03Å; L485-L541 HydrophobicContact CG-CB 3.95Å; L485-L541 HydrophobicContact CG-CD1 4.06Å; K488-L541 HydrophobicContact CD-CD1 4.33Å; E537-L541 VanDerWaalsContact O-CG 3.28Å; E537-L541 WeakPolarHBondContact O-CG 3.35Å; E537-L541 PolarHBondContact O-N 3.47Å; V538-L541 PolarHBondContact O-N 3.25Å; V538-L541 VanDerWaalsContact O-N 3.09Å; T539-L541 VanDerWaalsContact C-N 3.3Å; T539-L541 PolarHBondContact O-N 2.99Å
542I89.8Confident90.5Very high15 Ų1560.3 Ų60.38%0.07735%0.349CS..THydrogen-bonded Turntrans-112.833.8178.559.7-164.2000111.7I196 V233 L485 L518 I522 V538 T539 R540 G544I196-I542 HydrophobicContact CD1-CD1 3.32Å; I196-I542 HydrophobicContact CD1-CG1 3.82Å; I196-I542 HydrophobicContact CG1-CD1 4.44Å; V233-I542 HydrophobicContact CG1-CB 4.23Å; V233-I542 HydrophobicContact CG1-CD1 3.89Å; V233-I542 HydrophobicContact CG1-CG1 4.33Å; L485-I542 HydrophobicContact CD1-CG2 3.56Å; L485-I542 HydrophobicContact CD2-CG2 4.15Å; L485-I542 HydrophobicContact CG-CG2 4.5Å; L518-I542 HydrophobicContact CD2-CG2 4.11Å; I522-I542 HydrophobicContact CD1-CD1 3.56Å; V538-I542 HydrophobicContact CG1-CD1 4.23Å; V538-I542 WeakPolarHBondContact O-CG1 3.42Å; V538-I542 PolarHBondContact O-N 2.96Å; T539-I542 CarbonylContact O-C 3.58Å; T539-I542 WeakPolarHBondContact O-CG1 3.46Å; T539-I542 PolarHBondContact O-N 2.99Å; R540-I542 VanDerWaalsContact C-N 3.29Å; I542-G544 PolarHBondContact O-N 3.13Å; I542-G544 VanDerWaalsContact O-N 3.15Å
543N80.6Confident88.7Confident125 Ų12564.3 Ų64.367%0.66837%0.372SS*.THydrogen-bonded Turntrans64.111.5176.2-56-37.5000116.2T539 H545T539-N543 PolarHBondContact O-N 3.41Å; N543-H545 PolarHBondContact O-CD2 2.85Å
544G83.6Confident86.7Confident11 Ų1162.2 Ų62.211%0.11336%0.361CS..  trans72.2-142168.600000114.9T539 I542 E546T539-G544 VanDerWaalsContact O-CA 3.26Å; T539-G544 WeakPolarHBondContact O-CA 3.32Å; T539-G544 PolarHBondContact O-N 3.21Å; I542-G544 PolarHBondContact O-N 3.13Å; I542-G544 VanDerWaalsContact O-N 3.15Å; G544-E546 VanDerWaalsContact C-N 3.29Å; G544-E546 PolarHBondContact O-N 3.03Å
545H93.1Very high84.6Confident91 Ų9168.8 Ų68.842%0.42137%0.374SS..  trans66.127.3-175.9-54.6-77000114.4N543N543-H545 PolarHBondContact O-CD2 2.85Å
546E96.3Very high82.5Confident72 Ų7271.1 Ų71.134%0.33639%0.391SS..  trans-66.6143.8170.773.8-83-148.100111.6G195 W532 T539 G544G195-E546 CarbonylContact O-C 3.59Å; G195-E546 VanDerWaalsContact O-CA 3.26Å; G195-E546 WeakPolarHBondContact O-CA 3.23Å; W532-E546 HydrophobicContact CB-CG 4.28Å; W532-E546 HydrophobicContact CD2-CB 3.75Å; W532-E546 HydrophobicContact CD2-CG 4.25Å; W532-E546 HydrophobicContact CE3-CB 4.13Å; W532-E546 HydrophobicContact CG-CB 4Å; W532-E546 HydrophobicContact CG-CG 4.04Å; W532-E546 HydrophobicContact CZ2-CB 4.27Å; T539-E546 HydrophobicContact CG2-CB 3.9Å; T539-E546 HydrophobicContact CG2-CG 3.92Å; T539-E546 PolarHBondContact OG1-OE1 3.29Å; G544-E546 VanDerWaalsContact C-N 3.29Å; G544-E546 PolarHBondContact O-N 3.03Å
547F97.3Very high80.9Confident27 Ų2776.7 Ų76.712%0.11841%0.414CS..EExtended strand (participates in β ladder)trans-147.2153.8168.263.7-86.5000110.6V193 Y194 G195 K201 Y204 L228 W532 V549V193-F547 HydrophobicContact CG1-CE2 4.15Å; Y194-F547 WeakPolarHBondContact CA-O 3.21Å; G195-F547 VanDerWaalsContact CA-CE1 3.43Å; G195-F547 PolarHBondContact N-O 2.73Å; G195-F547 PolarHBondContact O-N 3.47Å; K201-F547 HydrophobicContact CB-CD1 4.3Å; K201-F547 HydrophobicContact CB-CE1 4.14Å; K201-F547 HydrophobicContact CG-CD1 4.49Å; Y204-F547 HydrophobicContact CD1-CD2 4.4Å; Y204-F547 HydrophobicContact CD1-CE2 4.06Å; Y204-F547 AromaticContact CD2-CE2 3.75Å; Y204-F547 HydrophobicContact CD2-CE2 3.75Å; Y204-F547 HydrophobicContact CD2-CZ 4.38Å; Y204-F547 HydrophobicContact CE2-CE2 4.39Å; Y204-F547 HydrophobicContact CG-CD2 4.33Å; Y204-F547 AromaticContact CG-CE2 3.57Å; Y204-F547 HydrophobicContact CG-CE2 3.57Å; Y204-F547 AromaticContact CG-CZ 3.92Å; Y204-F547 HydrophobicContact CG-CZ 3.92Å; L228-F547 HydrophobicContact CD1-CZ 4.2Å; W532-F547 PolarHBondContact NE1-O 3.49Å; F547-V549 HydrophobicContact CD2-CG2 4.31Å
548A96.8Very high80.1Confident56 Ų5674.1 Ų74.146%0.46341%0.406SS..EExtended strand (participates in β ladder)trans-139.3124.1170.900000108.2V193 Y194V193-A548 CarbonylContact O-C 3.43Å; V193-A548 WeakPolarHBondContact O-CA 3.45Å; Y194-A548 HydrophobicContact CD1-CB 3.76Å; Y194-A548 HydrophobicContact CE1-CB 4.03Å
549V94.9Very high79.6Confident51 Ų5178.1 Ų78.131%0.30943%0.427SS..EExtended strand (participates in β ladder)trans-122.5132.2177.3-175.20000109.2K192 V193 Y204 F547K192-V549 WeakPolarHBondContact CA-O 3.34Å; V193-V549 PolarHBondContact N-O 3.37Å; V193-V549 PolarHBondContact O-N 2.71Å; Y204-V549 HydrophobicContact CE1-CG2 4Å; Y204-V549 HydrophobicContact CE2-CB 4.29Å; Y204-V549 HydrophobicContact CE2-CG2 4.06Å; Y204-V549 VanDerWaalsContact CZ-CG2 3.5Å; Y204-V549 WeakPolarHBondContact OH-CG1 3.41Å; Y204-V549 WeakPolarHBondContact OH-CG2 3.47Å; F547-V549 HydrophobicContact CD2-CG2 4.31Å
550T89.6Confident79.3Confident82 Ų8278.5 Ų78.550%0.50343%0.43SS..EExtended strand (participates in β ladder)trans-98.2127.6174.1-55.60000109.4K192 P554K192-T550 HydrophobicContact CG-CG2 4.44Å; T550-P554 HydrophobicContact CG2-CB 3.71Å; T550-P554 HydrophobicContact CG2-CG 4.11Å
551G78.6Confident79.2Confident30 Ų3071.7 Ų71.731%0.30941%0.406SS..  trans-78.5-173.6175.300000113.2S191 D553S191-G551 PolarHBondContact O-N 2.83Å; G551-D553 PolarHBondContact O-N 3.13Å
552A61.5Low79.3Confident112 Ų11272.2 Ų72.293%0.92641%0.406SS*.SBendtrans-73.5-18.3-164.700000116.2
553D60.3Low79.6Confident105 Ų10571.9 Ų71.956%0.56140%0.404SS*.  trans-130.367.9-176.4-159.64.2000114.5G551 K555G551-D553 PolarHBondContact O-N 3.13Å; D553-K555 VanDerWaalsContact C-N 3.26Å; D553-K555 PolarHBondContact O-N 2.83Å
554P53.1Low80.4Confident68 Ų6865.9 Ų65.944%0.44237%0.372SS..THydrogen-bonded Turntrans-77.7-0.7-173.829.6-33.9000114.8T550T550-P554 HydrophobicContact CG2-CB 3.71Å; T550-P554 HydrophobicContact CG2-CG 4.11Å
555K48.7Very low81.1Confident191 Ų19165.4 Ų65.483%0.8337%0.367SS*.THydrogen-bonded Turntrans-104.5-6.3-164.3-72.3-175.1179.5177.50115.7D553D553-K555 VanDerWaalsContact C-N 3.26Å; D553-K555 PolarHBondContact O-N 2.83Å
556S53.2Low81.4Confident54 Ų5461 Ų6138%0.37835%0.347SS..  trans-88.6116.8171.973.50000110.3S558S556-S558 PolarHBondContact O-N 3.02Å
557K60.1Low81.5Confident208 Ų20857.7 Ų57.790%0.90433%0.331SS*.  trans-72.363.3163.4-71.1-174179179.10108.6
558S75.8Confident81.6Confident40 Ų4056.4 Ų56.428%0.2833%0.326SS..  trans-84160.1178.963.70000110.8S556 A560 Q561S556-S558 PolarHBondContact O-N 3.02Å; S558-A560 PolarHBondContact O-N 2.99Å; S558-Q561 WeakPolarHBondContact O-CB 3.37Å; S558-Q561 PolarHBondContact O-N 3.49Å; S558-Q561 VanDerWaalsContact O-N 3.09Å
559D84.6Confident81.7Confident93 Ų9353.8 Ų53.850%0.49730%0.304SS..G310 helixtrans-57.9-28.3173.2-79.6-18000112.7P10 Q561 R562 I563P10-D559 HydrophobicContact CB-CB 4Å; D559-Q561 VanDerWaalsContact C-N 3.28Å; D559-Q561 PolarHBondContact O-N 3.37Å; D559-R562 WeakPolarHBondContact O-CA 3.38Å; D559-R562 WeakPolarHBondContact O-CB 3.32Å; D559-R562 PolarHBondContact O-N 2.99Å; D559-R562 IonicContact OD1-CZ 3.96Å; D559-R562 IonicContact OD1-NE 3.91Å; D559-R562 IonicContact OD1-NH2 2.67Å; D559-R562 PolarHBondContact OD1-NH2 3.49Å; D559-I563 PolarHBondContact O-N 3.06Å
560A86.2Confident81.8Confident8 Ų851.5 Ų51.57%0.06629%0.29CS..G310 helixtrans-58.4-35.5174.600000113.1A221 E222 G224 S558 R562 I563A221-A560 WeakPolarHBondContact O-CB 2.94Å; E222-A560 WeakPolarHBondContact O-CA 3.27Å; E222-A560 WeakPolarHBondContact O-CB 3.26Å; G224-A560 VanDerWaalsContact CA-O 3.28Å; G224-A560 WeakPolarHBondContact CA-O 3.3Å; G224-A560 PolarHBondContact N-O 2.89Å; S558-A560 PolarHBondContact O-N 2.99Å; A560-R562 PolarHBondContact O-N 3Å; A560-R562 VanDerWaalsContact O-N 3.12Å; A560-I563 PolarHBondContact O-N 3.43Å; A560-I563 VanDerWaalsContact O-O 3.1Å
561Q88.4Confident82.2Confident36 Ų3647.6 Ų47.617%0.16827%0.267CS..G310 helixtrans-62.2-22.1175.7-61-54.1-39.200112.7S191 N225 S558 D559S191-Q561 PolarHBondContact OG-NE2 3.32Å; N225-Q561 PolarHBondContact ND2-O 2.97Å; S558-Q561 WeakPolarHBondContact O-CB 3.37Å; S558-Q561 PolarHBondContact O-N 3.49Å; S558-Q561 VanDerWaalsContact O-N 3.09Å; D559-Q561 VanDerWaalsContact C-N 3.28Å; D559-Q561 PolarHBondContact O-N 3.37Å
562R93.1Very high83.2Confident42 Ų4246.2 Ų46.216%0.15825%0.252CS..G310 helixtrans-92.3-4.8178.7-59.1-170.8-68.9148.9-3.3112.9D8 P10 D559 A560 Y589 K590D8-R562 PolarHBondContact O-NH1 3.27Å; D8-R562 PolarHBondContact O-NH2 3.39Å; P10-R562 HydrophobicContact CG-CB 3.86Å; D559-R562 WeakPolarHBondContact O-CA 3.38Å; D559-R562 WeakPolarHBondContact O-CB 3.32Å; D559-R562 PolarHBondContact O-N 2.99Å; D559-R562 IonicContact OD1-CZ 3.96Å; D559-R562 IonicContact OD1-NE 3.91Å; D559-R562 IonicContact OD1-NH2 2.67Å; D559-R562 PolarHBondContact OD1-NH2 3.49Å; A560-R562 PolarHBondContact O-N 3Å; A560-R562 VanDerWaalsContact O-N 3.12Å; R562-Y589 HydrophobicContact CB-CD1 4.12Å; R562-Y589 HydrophobicContact CG-CD1 4.37Å; R562-Y589 CarbonylContact O-C 3.6Å; R562-Y589 WeakPolarHBondContact O-CA 3.34Å; R562-K590 PolarHBondContact O-N 2.96Å
563I96Very high84.9Confident7 Ų740.9 Ų40.94%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-96.3116.3169.8-53.8-174.4000108P10 E11 L12 E222 I223 G224 N225 D559 A560 K590 I592P10-I563 HydrophobicContact CB-CD1 4.05Å; P10-I563 HydrophobicContact CB-CG1 3.83Å; P10-I563 HydrophobicContact CG-CD1 4.25Å; P10-I563 HydrophobicContact CG-CG1 3.52Å; E11-I563 WeakPolarHBondContact O-CD1 3.32Å; L12-I563 HydrophobicContact CD2-CG2 4.18Å; E222-I563 WeakPolarHBondContact O-CD1 3.09Å; I223-I563 HydrophobicContact CG1-CG2 4.12Å; G224-I563 PolarHBondContact N-O 3.32Å; N225-I563 PolarHBondContact N-O 2.87Å; D559-I563 PolarHBondContact O-N 3.06Å; A560-I563 PolarHBondContact O-N 3.43Å; A560-I563 VanDerWaalsContact O-O 3.1Å; I563-K590 CarbonylContact C-O 3.51Å; I563-K590 WeakPolarHBondContact CA-O 3.32Å; I563-I592 HydrophobicContact CG2-CD1 3.79Å; I563-I592 HydrophobicContact CG2-CG1 4.24Å
564I97.8Very high86.7Confident0 Ų036.1 Ų36.10%018%0.183CC..EExtended strand (participates in β ladder)trans-117119.2-171.1-53.3173.7000108.4N225 F227 L527 V566 Y589 K590 F591 I592N225-I564 HydrophobicContact CB-CG1 4.26Å; N225-I564 HydrophobicContact CB-CG2 4.24Å; N225-I564 CarbonylContact O-C 3.54Å; N225-I564 WeakPolarHBondContact O-CA 3.36Å; F227-I564 HydrophobicContact CD2-CG2 3.65Å; F227-I564 HydrophobicContact CE2-CG2 3.82Å; L527-I564 HydrophobicContact CD1-CD1 3.52Å; L527-I564 HydrophobicContact CD2-CD1 3.71Å; L527-I564 HydrophobicContact CG-CD1 4.27Å; I564-V566 HydrophobicContact CG2-CG2 4.14Å; I564-Y589 HydrophobicContact CD1-CD1 3.73Å; I564-Y589 HydrophobicContact CD1-CD2 3.91Å; I564-Y589 HydrophobicContact CD1-CE1 4.22Å; I564-Y589 HydrophobicContact CD1-CE2 4.4Å; I564-Y589 HydrophobicContact CD1-CG 3.56Å; I564-Y589 HydrophobicContact CG1-CD1 4.45Å; I564-K590 PolarHBondContact N-O 2.89Å; I564-F591 HydrophobicContact CB-CD1 3.77Å; I564-F591 HydrophobicContact CB-CE1 3.82Å; I564-F591 HydrophobicContact CD1-CD1 4.4Å; I564-F591 HydrophobicContact CD1-CE1 3.68Å; I564-F591 HydrophobicContact CD1-CE2 4.5Å; I564-F591 HydrophobicContact CD1-CZ 3.74Å; I564-F591 HydrophobicContact CG1-CE1 4.34Å; I564-F591 HydrophobicContact CG2-CD1 3.9Å; I564-F591 HydrophobicContact CG2-CE1 3.75Å; I564-F591 CarbonylContact O-C 3.55Å; I564-F591 VanDerWaalsContact O-CA 3.26Å; I564-F591 WeakPolarHBondContact O-CA 3.45Å; I564-I592 PolarHBondContact O-N 3.45Å
565L98.7Very high88.9Confident0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-91.5129.5172.4-175.7142.1000110L180 L183 I223 N225 V226 F227 M567 I592 V594L180-L565 HydrophobicContact CD1-CD2 4.37Å; L183-L565 HydrophobicContact CD1-CD1 3.61Å; I223-L565 HydrophobicContact CD1-CD1 4.18Å; I223-L565 HydrophobicContact CG2-CB 3.74Å; N225-L565 PolarHBondContact O-N 3.26Å; V226-L565 CarbonylContact C-O 3.5Å; V226-L565 VanDerWaalsContact CA-O 3.27Å; V226-L565 WeakPolarHBondContact CA-O 3.33Å; V226-L565 HydrophobicContact CG1-CD2 3.81Å; V226-L565 HydrophobicContact CG2-CB 4.25Å; V226-L565 HydrophobicContact CG2-CD2 4.47Å; F227-L565 PolarHBondContact N-O 3.36Å; L565-M567 HydrophobicContact CD2-CB 4.27Å; L565-I592 CarbonylContact C-O 3.54Å; L565-I592 WeakPolarHBondContact CA-O 3.25Å; L565-V594 HydrophobicContact CD1-CG2 3.72Å; L565-V594 HydrophobicContact CD2-CG2 4.02Å; L565-V594 HydrophobicContact CG-CG2 3.87Å
566V98.9Very high91.3Very high0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-121.2110.6177.5-175.10000108.4F227 I229 I523 I564 F568 L580 F591 I592 V593 V594F227-V566 HydrophobicContact CB-CB 4.47Å; F227-V566 HydrophobicContact CB-CG1 4.18Å; F227-V566 HydrophobicContact CB-CG2 4.28Å; F227-V566 CarbonylContact O-C 3.53Å; I229-V566 HydrophobicContact CD1-CG1 4.19Å; I523-V566 HydrophobicContact CD1-CB 4.47Å; I523-V566 HydrophobicContact CD1-CG1 3.59Å; I523-V566 HydrophobicContact CD1-CG2 4.01Å; I564-V566 HydrophobicContact CG2-CG2 4.14Å; V566-F568 HydrophobicContact CB-CE2 4.24Å; V566-F568 HydrophobicContact CG1-CD2 3.84Å; V566-F568 HydrophobicContact CG1-CE2 3.36Å; V566-F568 HydrophobicContact CG1-CZ 3.89Å; V566-L580 HydrophobicContact CB-CD1 4.32Å; V566-L580 HydrophobicContact CG1-CD1 4.36Å; V566-L580 HydrophobicContact CG2-CD1 4.22Å; V566-F591 HydrophobicContact CG2-CD1 3.77Å; V566-F591 HydrophobicContact CG2-CE1 4.24Å; V566-I592 PolarHBondContact N-O 3.38Å; V566-V593 CarbonylContact O-C 3.51Å; V566-V593 WeakPolarHBondContact O-CA 3.37Å; V566-V594 PolarHBondContact O-N 3.33Å; V566-V594 VanDerWaalsContact O-O 3.07Å
567M98.8Very high93.5Very high1 Ų121.3 Ų21.31%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-97.4109.7176.3-169.8170.4-171.900111L155 A176 F227 L228 I229 L565 L569 V594L155-M567 HydrophobicContact CD1-CE 4.22Å; L155-M567 HydrophobicContact CD2-CE 4.26Å; A176-M567 HydrophobicContact CB-CE 3.62Å; F227-M567 PolarHBondContact O-N 3.47Å; L228-M567 HydrophobicContact CD2-CB 3.67Å; L228-M567 HydrophobicContact CD2-CG 4.39Å; L228-M567 HydrophobicContact CD2-SD 4.21Å; I229-M567 PolarHBondContact N-O 3.29Å; L565-M567 HydrophobicContact CD2-CB 4.27Å; M567-L569 HydrophobicContact CE-CD2 3.83Å; M567-L569 HydrophobicContact CG-CD2 4.28Å; M567-L569 HydrophobicContact SD-CD2 4.3Å; M567-V594 CarbonylContact C-O 3.25Å; M567-V594 WeakPolarHBondContact CA-O 3.47Å; M567-V594 HydrophobicContact CB-CB 4.17Å; M567-V594 HydrophobicContact CE-CG1 4.25Å; M567-V594 HydrophobicContact CG-CB 4.09Å; M567-V594 HydrophobicContact CG-CG1 4.02Å; M567-V594 HydrophobicContact SD-CG1 4.36Å
568F98.9Very high95.3Very high1 Ų111.4 Ų11.40%0.0046%0.061CC..EExtended strand (participates in β ladder)trans-87.5115.4172.2-71.7-92.1000110.7I229 V566 C572 E576 L580 V593 V594 T595 T596I229-F568 HydrophobicContact CB-CD1 4.43Å; I229-F568 HydrophobicContact CG2-CD1 4.49Å; I229-F568 WeakPolarHBondContact O-CA 3.24Å; V566-F568 HydrophobicContact CB-CE2 4.24Å; V566-F568 HydrophobicContact CG1-CD2 3.84Å; V566-F568 HydrophobicContact CG1-CE2 3.36Å; V566-F568 HydrophobicContact CG1-CZ 3.89Å; F568-C572 HydrophobicContact CB-CB 3.92Å; F568-C572 HydrophobicContact CD2-CB 3.79Å; F568-C572 HydrophobicContact CE2-CB 4.42Å; F568-C572 HydrophobicContact CG-CB 3.84Å; F568-E576 HydrophobicContact CZ-CB 4.5Å; F568-L580 HydrophobicContact CE2-CD1 4.02Å; F568-L580 HydrophobicContact CZ-CD1 4.31Å; F568-V593 HydrophobicContact CD2-CG1 4.04Å; F568-V593 HydrophobicContact CE2-CG1 4.27Å; F568-V594 PolarHBondContact N-O 2.98Å; F568-T595 WeakPolarHBondContact O-CA 3.49Å; F568-T595 PolarHBondContact O-OG1 3.4Å; F568-T596 PolarHBondContact O-N 2.92Å; F568-T596 VanDerWaalsContact O-N 3.14Å
569L98.6Very high96.4Very high0 Ų09.5 Ų9.50%05%0.048CC..EExtended strand (participates in β ladder)trans-93.5109.2176.6-63.6173.5000109.5F160 F165 A176 C199 S200 T203 I229 D230 R231 M567 T596F160-L569 HydrophobicContact CE1-CB 4.13Å; F160-L569 HydrophobicContact CZ-CB 4.34Å; F160-L569 HydrophobicContact CZ-CD2 4Å; F165-L569 WeakPolarHBondContact CE2-O 3.23Å; F165-L569 VanDerWaalsContact CZ-O 3.29Å; F165-L569 WeakPolarHBondContact CZ-O 3.49Å; A176-L569 HydrophobicContact CB-CD2 3.76Å; C199-L569 HydrophobicContact CB-CD1 4.23Å; S200-L569 VanDerWaalsContact CA-CD1 3.49Å; T203-L569 HydrophobicContact CG2-CD1 4.5Å; I229-L569 PolarHBondContact O-N 2.95Å; D230-L569 CarbonylContact C-O 3.59Å; R231-L569 WeakPolarHBondContact CB-O 3.32Å; R231-L569 PolarHBondContact N-O 3.45Å; M567-L569 HydrophobicContact CE-CD2 3.83Å; M567-L569 HydrophobicContact CG-CD2 4.28Å; M567-L569 HydrophobicContact SD-CD2 4.3Å; L569-T596 HydrophobicContact CD2-CG2 3.98Å
570G97.4Very high97.1Very high3 Ų35.1 Ų5.13%0.0313%0.025CC..THydrogen-bonded Turntrans102.61.2-174.300000114.6T596G570-T596 WeakPolarHBondContact CA-OG1 3.39Å; G570-T596 PolarHBondContact N-OG1 3.48Å
571G97.8Very high97.6Very high1 Ų16.4 Ų6.41%0.013%0.028CC..  trans121.6152.316400000115.7R231 T595 T596 A597R231-G571 WeakPolarHBondContact CD-O 3.49Å; R231-G571 PolarHBondContact NH1-O 3.41Å; G571-T595 WeakPolarHBondContact CA-OG1 3.34Å; G571-T596 PolarHBondContact N-OG1 3.44Å; G571-A597 WeakPolarHBondContact CA-O 3.25Å
572C98.4Very high98.1Very high0 Ų06 Ų60%03%0.026CC..BIsolated β-bridgetrans-128.6140.2178.4-175.10000110.1F568 V593 T595 A597 I598 T599F568-C572 HydrophobicContact CB-CB 3.92Å; F568-C572 HydrophobicContact CD2-CB 3.79Å; F568-C572 HydrophobicContact CE2-CB 4.42Å; F568-C572 HydrophobicContact CG-CB 3.84Å; C572-V593 HydrophobicContact CB-CG1 4.3Å; C572-T595 HydrophobicContact CB-CG2 4.28Å; C572-T595 PolarHBondContact N-OG1 3.03Å; C572-T595 VanDerWaalsContact N-OG1 3.15Å; C572-A597 PolarHBondContact N-O 2.87Å; C572-I598 WeakPolarHBondContact O-CA 3.2Å; C572-T599 PolarHBondContact O-N 3.05Å
573T98.7Very high98.3Very high1 Ų14.2 Ų4.21%0.0062%0.019CC..  trans-88.6159.5174.263.10000111.9P238 S575 E576 V577 T599P238-T573 HydrophobicContact CB-CG2 3.87Å; T573-S575 VanDerWaalsContact C-N 3.26Å; T573-S575 PolarHBondContact O-N 2.91Å; T573-E576 PolarHBondContact N-OE2 3.24Å; T573-E576 PolarHBondContact O-N 3.3Å; T573-E576 WeakPolarHBondContact OG1-CB 3.22Å; T573-E576 VanDerWaalsContact OG1-CG 3.29Å; T573-E576 WeakPolarHBondContact OG1-CG 3.38Å; T573-E576 PolarHBondContact OG1-N 3.35Å; T573-E576 PolarHBondContact OG1-OE2 3.12Å; T573-V577 WeakPolarHBondContact O-CG2 3.4Å; T573-V577 PolarHBondContact O-N 3.1Å; T573-V577 VanDerWaalsContact O-N 3.16Å; T573-T599 WeakPolarHBondContact CA-O 3.45Å; T573-T599 HydrophobicContact CG2-CG2 4.22Å
574F98.6Very high98.4Very high5 Ų54.1 Ų4.12%0.0222%0.02CC..Hα-helixtrans-69.4-26.8171.8-74.7-68.9000112.4I152 E246 D250 I255 V577 S578 I598I152-F574 HydrophobicContact CD1-CE1 4.32Å; E246-F574 HydrophobicContact CG-CB 4.12Å; E246-F574 HydrophobicContact CG-CD1 3.51Å; E246-F574 HydrophobicContact CG-CD2 4.22Å; E246-F574 HydrophobicContact CG-CE1 3.86Å; E246-F574 HydrophobicContact CG-CG 3.71Å; E246-F574 HydrophobicContact CG-CZ 4.35Å; E246-F574 WeakPolarHBondContact OE1-CE1 3.23Å; D250-F574 HydrophobicContact CB-CD2 3.7Å; D250-F574 HydrophobicContact CB-CE2 3.82Å; I255-F574 HydrophobicContact CB-CE2 4.05Å; I255-F574 HydrophobicContact CB-CZ 4.27Å; I255-F574 HydrophobicContact CD1-CD2 4.35Å; I255-F574 HydrophobicContact CD1-CE2 3.63Å; I255-F574 HydrophobicContact CD1-CZ 3.83Å; I255-F574 HydrophobicContact CG1-CE2 4.34Å; I255-F574 HydrophobicContact CG2-CE2 4.32Å; I255-F574 HydrophobicContact CG2-CZ 4.02Å; F574-V577 PolarHBondContact O-N 3.49Å; F574-S578 WeakPolarHBondContact O-CB 3.31Å; F574-S578 PolarHBondContact O-N 2.77Å; F574-S578 PolarHBondContact O-OG 3.26Å; F574-I598 HydrophobicContact CD2-CG2 4Å; F574-I598 HydrophobicContact CE1-CD1 4.47Å; F574-I598 HydrophobicContact CE2-CG2 3.54Å; F574-I598 HydrophobicContact CZ-CG1 4.44Å; F574-I598 HydrophobicContact CZ-CG2 3.94Å
575S98.5Very high98.2Very high0 Ų011.2 Ų11.20%05%0.051CC..Hα-helixtrans-59.8-48.2168-72.10000111.7Q242 I510 T573 V577 S578 A579Q242-S575 WeakPolarHBondContact CG-OG 3.47Å; Q242-S575 VanDerWaalsContact OE1-N 3.16Å; I510-S575 WeakPolarHBondContact CD1-O 3.28Å; T573-S575 VanDerWaalsContact C-N 3.26Å; T573-S575 PolarHBondContact O-N 2.91Å; S575-V577 VanDerWaalsContact C-N 3.33Å; S575-V577 PolarHBondContact O-N 3.12Å; S575-S578 WeakPolarHBondContact O-CB 3.27Å; S575-S578 PolarHBondContact O-N 3.1Å; S575-S578 VanDerWaalsContact O-N 3.13Å; S575-A579 WeakPolarHBondContact O-CB 3.43Å; S575-A579 PolarHBondContact O-N 3.3Å
576E98.8Very high98Very high0 Ų015.5 Ų15.50%07%0.071CC..Hα-helixtrans-60.2-41.8175.7-75.9166.7127.400112.1R231 T237 S519 F568 T573 S578 A579 L580R231-E576 IonicContact CZ-OE1 3.76Å; R231-E576 VanDerWaalsContact CZ-OE1 3.3Å; R231-E576 IonicContact CZ-OE2 2.97Å; R231-E576 VanDerWaalsContact NH1-CD 3.27Å; R231-E576 IonicContact NH1-OE1 3.25Å; R231-E576 PolarHBondContact NH1-OE1 3.05Å; R231-E576 IonicContact NH1-OE2 3.64Å; R231-E576 PolarHBondContact NH1-OE2 2.78Å; R231-E576 IonicContact NH2-OE1 3.46Å; R231-E576 PolarHBondContact NH2-OE1 3.43Å; T237-E576 HydrophobicContact CG2-CG 3.48Å; T237-E576 VanDerWaalsContact CG2-CG 3.48Å; S519-E576 PolarHBondContact OG-OE1 3.05Å; F568-E576 HydrophobicContact CZ-CB 4.5Å; T573-E576 PolarHBondContact N-OE2 3.24Å; T573-E576 PolarHBondContact O-N 3.3Å; T573-E576 WeakPolarHBondContact OG1-CB 3.22Å; T573-E576 VanDerWaalsContact OG1-CG 3.29Å; T573-E576 WeakPolarHBondContact OG1-CG 3.38Å; T573-E576 PolarHBondContact OG1-N 3.35Å; T573-E576 PolarHBondContact OG1-OE2 3.12Å; E576-S578 VanDerWaalsContact C-N 3.33Å; E576-S578 PolarHBondContact O-N 2.87Å; E576-A579 WeakPolarHBondContact O-CB 3.47Å; E576-A579 PolarHBondContact O-N 3.24Å; E576-L580 WeakPolarHBondContact O-CG 3.34Å; E576-L580 PolarHBondContact O-N 3.44Å
577V98.8Very high97.8Very high1 Ų120 Ų201%0.0069%0.09CC..Hα-helixtrans-58.8-46.1173.6176.60000110.9I152 T573 F574 S575 A579 L580 R581 V593I152-V577 HydrophobicContact CD1-CG1 3.88Å; I152-V577 HydrophobicContact CD1-CG2 4.37Å; I152-V577 HydrophobicContact CG1-CG1 4.14Å; T573-V577 WeakPolarHBondContact O-CG2 3.4Å; T573-V577 PolarHBondContact O-N 3.1Å; T573-V577 VanDerWaalsContact O-N 3.16Å; F574-V577 PolarHBondContact O-N 3.49Å; S575-V577 VanDerWaalsContact C-N 3.33Å; S575-V577 PolarHBondContact O-N 3.12Å; V577-A579 VanDerWaalsContact C-N 3.34Å; V577-A579 PolarHBondContact O-N 3.17Å; V577-L580 PolarHBondContact O-N 2.81Å; V577-R581 VanDerWaalsContact CG1-CZ 3.45Å; V577-R581 WeakPolarHBondContact O-CG 3.37Å; V577-R581 PolarHBondContact O-N 2.97Å; V577-V593 HydrophobicContact CG2-CB 4.42Å; V577-V593 HydrophobicContact CG2-CG1 4.23Å; V577-V593 HydrophobicContact CG2-CG2 4.23Å
578S98.7Very high97.5Very high0 Ų020.8 Ų20.80%010%0.099CC..Hα-helixtrans-62.6-40.4178.2-60.10000111.9N289 F574 S575 E576 R581 F582N289-S578 PolarHBondContact OD1-OG 3.46Å; F574-S578 WeakPolarHBondContact O-CB 3.31Å; F574-S578 PolarHBondContact O-N 2.77Å; F574-S578 PolarHBondContact O-OG 3.26Å; S575-S578 WeakPolarHBondContact O-CB 3.27Å; S575-S578 PolarHBondContact O-N 3.1Å; S575-S578 VanDerWaalsContact O-N 3.13Å; E576-S578 VanDerWaalsContact C-N 3.33Å; E576-S578 PolarHBondContact O-N 2.87Å; S578-R581 PolarHBondContact O-N 2.84Å; S578-F582 WeakPolarHBondContact O-CB 2.95Å; S578-F582 PolarHBondContact O-N 3.4Å
579A98.8Very high97.3Very high0 Ų023.5 Ų23.50%011%0.109CC..Hα-helixtrans-63-44.917600000112.3M507 I510 P517 C520 S575 E576 V577 F582 L583M507-A579 HydrophobicContact CB-CB 4.1Å; M507-A579 HydrophobicContact CG-CB 4.05Å; M507-A579 HydrophobicContact SD-CB 3.94Å; I510-A579 HydrophobicContact CD1-CB 3.76Å; P517-A579 HydrophobicContact CG-CB 4.25Å; C520-A579 HydrophobicContact CB-CB 4.25Å; S575-A579 WeakPolarHBondContact O-CB 3.43Å; S575-A579 PolarHBondContact O-N 3.3Å; E576-A579 WeakPolarHBondContact O-CB 3.47Å; E576-A579 PolarHBondContact O-N 3.24Å; V577-A579 VanDerWaalsContact C-N 3.34Å; V577-A579 PolarHBondContact O-N 3.17Å; A579-F582 WeakPolarHBondContact O-CB 3.44Å; A579-F582 PolarHBondContact O-N 2.85Å; A579-L583 WeakPolarHBondContact O-CB 3.46Å; A579-L583 PolarHBondContact O-N 2.87Å
580L98.8Very high97.2Very high1 Ų127.1 Ų27.11%0.00513%0.125CC..Hα-helixtrans-66.7-39.3176.7-68.7176.1000111.9C520 I523 V566 F568 E576 V577 F582 L583 G584 F591 V593C520-L580 HydrophobicContact CB-CD2 4.21Å; I523-L580 HydrophobicContact CD1-CD1 4.46Å; I523-L580 HydrophobicContact CD1-CD2 3.8Å; I523-L580 HydrophobicContact CG2-CD2 4.43Å; V566-L580 HydrophobicContact CB-CD1 4.32Å; V566-L580 HydrophobicContact CG1-CD1 4.36Å; V566-L580 HydrophobicContact CG2-CD1 4.22Å; F568-L580 HydrophobicContact CE2-CD1 4.02Å; F568-L580 HydrophobicContact CZ-CD1 4.31Å; E576-L580 WeakPolarHBondContact O-CG 3.34Å; E576-L580 PolarHBondContact O-N 3.44Å; V577-L580 PolarHBondContact O-N 2.81Å; L580-F582 VanDerWaalsContact C-N 3.34Å; L580-F582 PolarHBondContact O-N 2.89Å; L580-L583 PolarHBondContact O-N 3.06Å; L580-G584 PolarHBondContact O-N 3.45Å; L580-F591 HydrophobicContact CB-CB 4.15Å; L580-F591 HydrophobicContact CB-CD1 4.38Å; L580-F591 HydrophobicContact CB-CD2 4.21Å; L580-F591 HydrophobicContact CB-CG 3.99Å; L580-F591 HydrophobicContact CD2-CD1 4.14Å; L580-F591 HydrophobicContact CD2-CE1 4.06Å; L580-F591 HydrophobicContact CD2-CZ 4.39Å; L580-F591 WeakPolarHBondContact O-CD2 3.42Å; L580-F591 WeakPolarHBondContact O-CE2 3.12Å; L580-V593 HydrophobicContact CD1-CG2 3.83Å
581R98.1Very high97.2Very high35 Ų3527.4 Ų27.413%0.13213%0.125CC..Hα-helixtrans-60.7-43172.2-73.7170.5173.7158.23111.7D151 E246 N289 V577 S578 G584 K585D151-R581 IonicContact OD1-CZ 3.96Å; D151-R581 IonicContact OD1-NE 3.9Å; D151-R581 IonicContact OD1-NH2 3.35Å; D151-R581 PolarHBondContact OD1-NH2 3.43Å; D151-R581 IonicContact OD2-CZ 2.71Å; D151-R581 IonicContact OD2-NE 3.78Å; D151-R581 PolarHBondContact OD2-NE 3.17Å; D151-R581 IonicContact OD2-NH2 3.3Å; D151-R581 PolarHBondContact OD2-NH2 3Å; E246-R581 IonicContact OE2-NH1 2.69Å; E246-R581 PolarHBondContact OE2-NH1 3Å; N289-R581 VanDerWaalsContact OD1-CD 3.22Å; N289-R581 WeakPolarHBondContact OD1-CD 3.48Å; N289-R581 PolarHBondContact OD1-NH1 2.96Å; V577-R581 VanDerWaalsContact CG1-CZ 3.45Å; V577-R581 WeakPolarHBondContact O-CG 3.37Å; V577-R581 PolarHBondContact O-N 2.97Å; S578-R581 PolarHBondContact O-N 2.84Å; R581-G584 PolarHBondContact O-N 3.45Å; R581-K585 PolarHBondContact O-N 2.95Å
582F98.1Very high97.3Very high29 Ų2927.4 Ų27.413%0.12713%0.125CC..Hα-helixtrans-60.4-50.7174.3175.3-86.1000111.3P504 D506 M507 Y509 S578 A579 L580 G584 K585 E586P504-F582 HydrophobicContact CB-CE2 4.15Å; P504-F582 HydrophobicContact CG-CD2 4.5Å; P504-F582 HydrophobicContact CG-CE2 3.96Å; D506-F582 VanDerWaalsContact C-CE1 3.44Å; M507-F582 HydrophobicContact CG-CD1 3.79Å; M507-F582 HydrophobicContact CG-CE1 4.45Å; Y509-F582 HydrophobicContact CD1-CD2 4.21Å; Y509-F582 HydrophobicContact CD1-CG 4.42Å; Y509-F582 HydrophobicContact CE1-CB 3.84Å; Y509-F582 AromaticContact CE1-CD2 3.79Å; Y509-F582 HydrophobicContact CE1-CD2 3.79Å; Y509-F582 AromaticContact CE1-CG 3.84Å; Y509-F582 HydrophobicContact CE1-CG 3.84Å; S578-F582 WeakPolarHBondContact O-CB 2.95Å; S578-F582 PolarHBondContact O-N 3.4Å; A579-F582 WeakPolarHBondContact O-CB 3.44Å; A579-F582 PolarHBondContact O-N 2.85Å; L580-F582 VanDerWaalsContact C-N 3.34Å; L580-F582 PolarHBondContact O-N 2.89Å; F582-G584 VanDerWaalsContact C-N 3.27Å; F582-G584 PolarHBondContact O-N 3.19Å; F582-K585 WeakPolarHBondContact O-CB 3.48Å; F582-K585 PolarHBondContact O-N 2.87Å; F582-E586 HydrophobicContact CD1-CG 4.4Å; F582-E586 HydrophobicContact CE1-CG 3.86Å; F582-E586 HydrophobicContact CE2-CG 4.36Å; F582-E586 HydrophobicContact CZ-CG 3.84Å; F582-E586 PolarHBondContact O-N 3.29Å
583L97.8Very high97.3Very high4 Ų427.5 Ų27.52%0.02113%0.126CC..Hα-helixtrans-58.2-41.4177.3-179.563.7000111.6M507 E524 A579 L580 E586 K587 F591M507-L583 HydrophobicContact SD-CB 3.96Å; M507-L583 HydrophobicContact SD-CD2 4.34Å; E524-L583 HydrophobicContact CB-CD1 4.11Å; E524-L583 HydrophobicContact CB-CD2 3.85Å; E524-L583 HydrophobicContact CG-CD1 3.84Å; E524-L583 HydrophobicContact CG-CD2 4.46Å; A579-L583 WeakPolarHBondContact O-CB 3.46Å; A579-L583 PolarHBondContact O-N 2.87Å; L580-L583 PolarHBondContact O-N 3.06Å; L583-E586 PolarHBondContact O-N 3.33Å; L583-K587 HydrophobicContact CD1-CG 3.62Å; L583-K587 HydrophobicContact CG-CG 4.35Å; L583-K587 WeakPolarHBondContact O-CB 3.43Å; L583-K587 WeakPolarHBondContact O-CG 3.28Å; L583-K587 PolarHBondContact O-N 3.02Å; L583-F591 HydrophobicContact CB-CE2 4.26Å; L583-F591 HydrophobicContact CD2-CE2 4.22Å; L583-F591 HydrophobicContact CD2-CZ 3.82Å; L583-F591 HydrophobicContact CG-CE2 4.18Å; L583-F591 HydrophobicContact CG-CZ 4.23Å
584G96.7Very high97.3Very high4 Ų427.5 Ų27.54%0.04113%0.126CC..Hα-helixtrans-60.9-45.2177.100000112.3L580 R581 F582 E586 G588 Y589L580-G584 PolarHBondContact O-N 3.45Å; R581-G584 PolarHBondContact O-N 3.45Å; F582-G584 VanDerWaalsContact C-N 3.27Å; F582-G584 PolarHBondContact O-N 3.19Å; G584-E586 PolarHBondContact O-N 3.24Å; G584-G588 CarbonylContact O-C 3.6Å; G584-G588 WeakPolarHBondContact O-CA 3.49Å; G584-G588 PolarHBondContact O-N 3.32Å; G584-Y589 CarbonylContact C-O 3.56Å; G584-Y589 VanDerWaalsContact C-O 3.28Å; G584-Y589 WeakPolarHBondContact CA-O 3.35Å; G584-Y589 PolarHBondContact O-N 2.87Å; G584-Y589 VanDerWaalsContact O-O 3.13Å
585K94.8Very high97.3Very high150 Ų15027.2 Ų27.265%0.65212%0.124SC*.Hα-helixtrans-61-42175.1-177.1-178.5175.7-175.10112.3R581 F582R581-K585 PolarHBondContact O-N 2.95Å; F582-K585 WeakPolarHBondContact O-CB 3.48Å; F582-K585 PolarHBondContact O-N 2.87Å
586E94.4Very high97.3Very high90 Ų9027.3 Ų27.342%0.42113%0.125SC..Hα-helixtrans-75.6-37.3-177.1-74.1-55.9114.500113.5R6 F582 L583 G584R6-E586 IonicContact NH2-OE1 3.31Å; R6-E586 PolarHBondContact NH2-OE1 3.26Å; R6-E586 IonicContact NH2-OE2 3.31Å; F582-E586 HydrophobicContact CD1-CG 4.4Å; F582-E586 HydrophobicContact CE1-CG 3.86Å; F582-E586 HydrophobicContact CE2-CG 4.36Å; F582-E586 HydrophobicContact CZ-CG 3.84Å; F582-E586 PolarHBondContact O-N 3.29Å; L583-E586 PolarHBondContact O-N 3.33Å; G584-E586 PolarHBondContact O-N 3.24Å
587K93.6Very high97.2Very high93 Ų9327.9 Ų27.940%0.40413%0.13SC..Hα-helixtrans-98.9-6.4-176.1-56.5-74.9179.3162.70113.8E524 E528 L583 Y589E524-K587 VanDerWaalsContact OE1-CE 3.32Å; E524-K587 WeakPolarHBondContact OE1-CE 3.22Å; E524-K587 IonicContact OE1-NZ 2.96Å; E524-K587 PolarHBondContact OE1-NZ 3.45Å; E528-K587 IonicContact OE1-NZ 3.56Å; E528-K587 PolarHBondContact OE1-NZ 3.45Å; L583-K587 HydrophobicContact CD1-CG 3.62Å; L583-K587 HydrophobicContact CG-CG 4.35Å; L583-K587 WeakPolarHBondContact O-CB 3.43Å; L583-K587 WeakPolarHBondContact O-CG 3.28Å; L583-K587 PolarHBondContact O-N 3.02Å; K587-Y589 HydrophobicContact CB-CD2 3.51Å; K587-Y589 HydrophobicContact CB-CE2 3.52Å; K587-Y589 HydrophobicContact CB-CG 4.5Å; K587-Y589 HydrophobicContact CG-CD2 4.47Å; K587-Y589 HydrophobicContact CG-CE2 4.33Å
588G93.3Very high97.2Very high18 Ų1828.7 Ų28.719%0.18613%0.134CC..THydrogen-bonded Turntrans78.531.3-179.100000114.1G584G584-G588 CarbonylContact O-C 3.6Å; G584-G588 WeakPolarHBondContact O-CA 3.49Å; G584-G588 PolarHBondContact O-N 3.32Å
589Y95.1Very high97.1Very high58 Ų5829.2 Ų29.223%0.22714%0.137CC..  trans-104.3162.5174.2-58-57.6000111.9L527 R562 I564 G584 K587 F591L527-Y589 HydrophobicContact CD1-CD2 4.3Å; L527-Y589 HydrophobicContact CD1-CE2 4.06Å; R562-Y589 HydrophobicContact CB-CD1 4.12Å; R562-Y589 HydrophobicContact CG-CD1 4.37Å; R562-Y589 CarbonylContact O-C 3.6Å; R562-Y589 WeakPolarHBondContact O-CA 3.34Å; I564-Y589 HydrophobicContact CD1-CD1 3.73Å; I564-Y589 HydrophobicContact CD1-CD2 3.91Å; I564-Y589 HydrophobicContact CD1-CE1 4.22Å; I564-Y589 HydrophobicContact CD1-CE2 4.4Å; I564-Y589 HydrophobicContact CD1-CG 3.56Å; I564-Y589 HydrophobicContact CG1-CD1 4.45Å; G584-Y589 CarbonylContact C-O 3.56Å; G584-Y589 VanDerWaalsContact C-O 3.28Å; G584-Y589 WeakPolarHBondContact CA-O 3.35Å; G584-Y589 PolarHBondContact O-N 2.87Å; G584-Y589 VanDerWaalsContact O-O 3.13Å; K587-Y589 HydrophobicContact CB-CD2 3.51Å; K587-Y589 HydrophobicContact CB-CE2 3.52Å; K587-Y589 HydrophobicContact CB-CG 4.5Å; K587-Y589 HydrophobicContact CG-CD2 4.47Å; K587-Y589 HydrophobicContact CG-CE2 4.33Å; Y589-F591 HydrophobicContact CD2-CE2 4.42Å; Y589-F591 HydrophobicContact CD2-CZ 4.35Å
590K96.6Very high97.1Very high77 Ų7729.4 Ų29.434%0.33514%0.138SC..EExtended strand (participates in β ladder)trans-118.4129162.5-73.8-70.3-176.1166.50109S9 P10 L12 R562 I563 I564S9-K590 VanDerWaalsContact CB-CE 3.46Å; S9-K590 WeakPolarHBondContact OG-CE 3.43Å; P10-K590 HydrophobicContact CG-CB 4.16Å; P10-K590 HydrophobicContact CG-CG 3.89Å; P10-K590 VanDerWaalsContact O-CG 3.3Å; P10-K590 WeakPolarHBondContact O-CG 3.42Å; L12-K590 HydrophobicContact CD2-CB 3.78Å; L12-K590 HydrophobicContact CD2-CG 4.4Å; L12-K590 HydrophobicContact CG-CB 4.49Å; R562-K590 PolarHBondContact O-N 2.96Å; I563-K590 CarbonylContact C-O 3.51Å; I563-K590 WeakPolarHBondContact CA-O 3.32Å; I564-K590 PolarHBondContact N-O 2.89Å
591F98.1Very high96.9Very high9 Ų929.9 Ų29.94%0.03914%0.141CC..EExtended strand (participates in β ladder)trans-101.1136.9177.4-70.8-87.3000109.8D151 I523 L527 I564 V566 L580 L583 Y589D151-F591 WeakPolarHBondContact CB-O 3.21Å; I523-F591 HydrophobicContact CG2-CE1 3.89Å; I523-F591 HydrophobicContact CG2-CZ 4.4Å; L527-F591 HydrophobicContact CD1-CE1 4.27Å; L527-F591 HydrophobicContact CD1-CZ 4Å; I564-F591 HydrophobicContact CB-CD1 3.77Å; I564-F591 HydrophobicContact CB-CE1 3.82Å; I564-F591 HydrophobicContact CD1-CD1 4.4Å; I564-F591 HydrophobicContact CD1-CE1 3.68Å; I564-F591 HydrophobicContact CD1-CE2 4.5Å; I564-F591 HydrophobicContact CD1-CZ 3.74Å; I564-F591 HydrophobicContact CG1-CE1 4.34Å; I564-F591 HydrophobicContact CG2-CD1 3.9Å; I564-F591 HydrophobicContact CG2-CE1 3.75Å; I564-F591 CarbonylContact O-C 3.55Å; I564-F591 VanDerWaalsContact O-CA 3.26Å; I564-F591 WeakPolarHBondContact O-CA 3.45Å; V566-F591 HydrophobicContact CG2-CD1 3.77Å; V566-F591 HydrophobicContact CG2-CE1 4.24Å; L580-F591 HydrophobicContact CB-CB 4.15Å; L580-F591 HydrophobicContact CB-CD1 4.38Å; L580-F591 HydrophobicContact CB-CD2 4.21Å; L580-F591 HydrophobicContact CB-CG 3.99Å; L580-F591 HydrophobicContact CD2-CD1 4.14Å; L580-F591 HydrophobicContact CD2-CE1 4.06Å; L580-F591 HydrophobicContact CD2-CZ 4.39Å; L580-F591 WeakPolarHBondContact O-CD2 3.42Å; L580-F591 WeakPolarHBondContact O-CE2 3.12Å; L583-F591 HydrophobicContact CB-CE2 4.26Å; L583-F591 HydrophobicContact CD2-CE2 4.22Å; L583-F591 HydrophobicContact CD2-CZ 3.82Å; L583-F591 HydrophobicContact CG-CE2 4.18Å; L583-F591 HydrophobicContact CG-CZ 4.23Å; Y589-F591 HydrophobicContact CD2-CE2 4.42Å; Y589-F591 HydrophobicContact CD2-CZ 4.35Å
592I98.7Very high96.8Very high1 Ų130 Ų301%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-112114.3165.3-57.6172.8000106.2L12 P13 D151 I153 I223 I563 I564 L565 V566L12-I592 HydrophobicContact CD2-CD1 3.99Å; L12-I592 HydrophobicContact CD2-CG1 3.63Å; P13-I592 HydrophobicContact CG-CD1 3.75Å; D151-I592 CarbonylContact O-C 3.51Å; D151-I592 WeakPolarHBondContact O-CA 3.21Å; I153-I592 HydrophobicContact CD1-CG2 4.01Å; I153-I592 HydrophobicContact CG1-CG2 4.37Å; I223-I592 HydrophobicContact CD1-CD1 4Å; I223-I592 HydrophobicContact CG1-CD1 4.2Å; I563-I592 HydrophobicContact CG2-CD1 3.79Å; I563-I592 HydrophobicContact CG2-CG1 4.24Å; I564-I592 PolarHBondContact O-N 3.45Å; L565-I592 CarbonylContact C-O 3.54Å; L565-I592 WeakPolarHBondContact CA-O 3.25Å; V566-I592 PolarHBondContact N-O 3.38Å
593V98.8Very high96.7Very high2 Ų230.5 Ų30.51%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-88.7121.1177.9178.80000108.9D151 I152 I153 V566 F568 C572 V577 L580D151-V593 PolarHBondContact O-N 2.91Å; I152-V593 CarbonylContact C-O 3.55Å; I152-V593 WeakPolarHBondContact CA-O 3.32Å; I153-V593 PolarHBondContact N-O 3.14Å; V566-V593 CarbonylContact O-C 3.51Å; V566-V593 WeakPolarHBondContact O-CA 3.37Å; F568-V593 HydrophobicContact CD2-CG1 4.04Å; F568-V593 HydrophobicContact CE2-CG1 4.27Å; C572-V593 HydrophobicContact CB-CG1 4.3Å; V577-V593 HydrophobicContact CG2-CB 4.42Å; V577-V593 HydrophobicContact CG2-CG1 4.23Å; V577-V593 HydrophobicContact CG2-CG2 4.23Å; L580-V593 HydrophobicContact CD1-CG2 3.83Å
594V98.8Very high96.7Very high0 Ų030.3 Ų30.30%015%0.148CC..EExtended strand (participates in β ladder)trans-105.8137.8166-174.30000107.6L145 I153 L155 L183 L565 V566 M567 F568L145-V594 HydrophobicContact CD2-CG1 4.11Å; I153-V594 HydrophobicContact CB-CG2 4.23Å; I153-V594 HydrophobicContact CD1-CG2 4.25Å; I153-V594 CarbonylContact O-C 3.49Å; I153-V594 VanDerWaalsContact O-CA 3.26Å; I153-V594 WeakPolarHBondContact O-CA 3.43Å; L155-V594 HydrophobicContact CD1-CG1 3.99Å; L183-V594 HydrophobicContact CD1-CG2 4.02Å; L565-V594 HydrophobicContact CD1-CG2 3.72Å; L565-V594 HydrophobicContact CD2-CG2 4.02Å; L565-V594 HydrophobicContact CG-CG2 3.87Å; V566-V594 PolarHBondContact O-N 3.33Å; V566-V594 VanDerWaalsContact O-O 3.07Å; M567-V594 CarbonylContact C-O 3.25Å; M567-V594 WeakPolarHBondContact CA-O 3.47Å; M567-V594 HydrophobicContact CB-CB 4.17Å; M567-V594 HydrophobicContact CE-CG1 4.25Å; M567-V594 HydrophobicContact CG-CB 4.09Å; M567-V594 HydrophobicContact CG-CG1 4.02Å; M567-V594 HydrophobicContact SD-CG1 4.36Å; F568-V594 PolarHBondContact N-O 2.98Å
595T98.8Very high96.7Very high0 Ų030.1 Ų30.10%015%0.146CC..EExtended strand (participates in β ladder)trans-144150.3176.8-1760000111.6I153 S154 L155 F568 G571 C572 A597 I598I153-T595 PolarHBondContact O-N 3.42Å; S154-T595 CarbonylContact C-O 3.54Å; S154-T595 WeakPolarHBondContact CA-O 3.43Å; L155-T595 WeakPolarHBondContact CD1-O 3.44Å; L155-T595 PolarHBondContact N-O 2.94Å; F568-T595 WeakPolarHBondContact O-CA 3.49Å; F568-T595 PolarHBondContact O-OG1 3.4Å; G571-T595 WeakPolarHBondContact CA-OG1 3.34Å; C572-T595 HydrophobicContact CB-CG2 4.28Å; C572-T595 PolarHBondContact N-OG1 3.03Å; C572-T595 VanDerWaalsContact N-OG1 3.15Å; T595-A597 VanDerWaalsContact CG2-C 3.48Å; T595-A597 WeakPolarHBondContact CG2-O 3.31Å; T595-A597 PolarHBondContact O-N 3.13Å; T595-A597 PolarHBondContact OG1-N 2.98Å; T595-A597 PolarHBondContact OG1-O 2.89Å; T595-I598 HydrophobicContact CG2-CD1 3.95Å; T595-I598 HydrophobicContact CG2-CG1 4.35Å
596T98.1Very high96.7Very high1 Ų126.2 Ų26.21%0.00613%0.129CC..SBendtrans-60.8-38.2171.955.30000111.2L155 E156 L157 F160 F568 L569 G570 G571L155-T596 HydrophobicContact CD2-CG2 4.36Å; E156-T596 PolarHBondContact N-O 3.07Å; L157-T596 PolarHBondContact N-O 3.16Å; F160-T596 HydrophobicContact CB-CG2 4.24Å; F160-T596 HydrophobicContact CD1-CG2 3.67Å; F160-T596 HydrophobicContact CD2-CG2 3.52Å; F160-T596 HydrophobicContact CE1-CG2 3.84Å; F160-T596 HydrophobicContact CE2-CG2 3.68Å; F160-T596 HydrophobicContact CG-CG2 3.53Å; F160-T596 HydrophobicContact CZ-CG2 3.84Å; F568-T596 PolarHBondContact O-N 2.92Å; F568-T596 VanDerWaalsContact O-N 3.14Å; L569-T596 HydrophobicContact CD2-CG2 3.98Å; G570-T596 WeakPolarHBondContact CA-OG1 3.39Å; G570-T596 PolarHBondContact N-OG1 3.48Å; G571-T596 PolarHBondContact N-OG1 3.44Å
597A97.4Very high96.7Very high12 Ų1222.9 Ų22.910%0.09912%0.117CC..SBendtrans-159157.4169.400000110.5G571 C572 T595G571-A597 WeakPolarHBondContact CA-O 3.25Å; C572-A597 PolarHBondContact N-O 2.87Å; T595-A597 VanDerWaalsContact CG2-C 3.48Å; T595-A597 WeakPolarHBondContact CG2-O 3.31Å; T595-A597 PolarHBondContact O-N 3.13Å; T595-A597 PolarHBondContact OG1-N 2.98Å; T595-A597 PolarHBondContact OG1-O 2.89Å
598I97.9Very high96.7Very high18 Ų1818.4 Ų18.49%0.09210%0.098CC..BIsolated β-bridgetrans-72.2134.8163.7-63.9-68.4000108.6L148 I152 C572 F574 T595L148-I598 HydrophobicContact CD1-CD1 4.4Å; L148-I598 HydrophobicContact CD1-CG1 3.77Å; I152-I598 HydrophobicContact CG2-CD1 4.26Å; C572-I598 WeakPolarHBondContact O-CA 3.2Å; F574-I598 HydrophobicContact CD2-CG2 4Å; F574-I598 HydrophobicContact CE1-CD1 4.47Å; F574-I598 HydrophobicContact CE2-CG2 3.54Å; F574-I598 HydrophobicContact CZ-CG1 4.44Å; F574-I598 HydrophobicContact CZ-CG2 3.94Å; T595-I598 HydrophobicContact CG2-CD1 3.95Å; T595-I598 HydrophobicContact CG2-CG1 4.35Å
599T97.7Very high96.7Very high11 Ų1118.8 Ų18.87%0.06710%0.095CC..  trans-130.8167.9-178.6-160.30000111.8P238 C572 T573P238-T599 HydrophobicContact CB-CG2 4.48Å; C572-T599 PolarHBondContact O-N 3.05Å; T573-T599 WeakPolarHBondContact CA-O 3.45Å; T573-T599 HydrophobicContact CG2-CG2 4.22Å
600N97.3Very high95.7Very high5 Ų519.4 Ų19.43%0.02710%0.103CC..  trans-154.8-177.3168.664.20.9000107.8D250 D251 S602 R603 L604D250-N600 PolarHBondContact OD2-ND2 2.86Å; D251-N600 PolarHBondContact OD1-ND2 3.29Å; N600-S602 VanDerWaalsContact C-N 3.26Å; N600-S602 PolarHBondContact O-N 3.35Å; N600-S602 PolarHBondContact OD1-N 3.47Å; N600-R603 PolarHBondContact ND2-NH1 3.39Å; N600-R603 VanDerWaalsContact ND2-NH1 3.1Å; N600-R603 PolarHBondContact O-N 3.49Å; N600-R603 WeakPolarHBondContact OD1-CB 3.36Å; N600-R603 WeakPolarHBondContact OD1-CG 3.48Å; N600-R603 PolarHBondContact OD1-N 3.18Å; N600-R603 PolarHBondContact OD1-NH1 3.1Å; N600-L604 VanDerWaalsContact O-CB 3.3Å; N600-L604 WeakPolarHBondContact O-CB 3.43Å; N600-L604 PolarHBondContact O-N 3.25Å
601S95.7Very high93.8Very high10 Ų1020.7 Ų20.77%0.0711%0.113CC..Hα-helixtrans-57.8-40.7-177.961.10000113P238 R396 L605P238-S601 WeakPolarHBondContact O-CA 3.19Å; P238-S601 WeakPolarHBondContact O-CB 3.46Å; P238-S601 PolarHBondContact O-N 2.95Å; R396-S601 WeakPolarHBondContact CD-OG 3.41Å; S601-L605 WeakPolarHBondContact O-CB 3.25Å; S601-L605 VanDerWaalsContact O-CG 3.28Å; S601-L605 WeakPolarHBondContact O-CG 3.43Å; S601-L605 PolarHBondContact O-N 3.43Å
602S95.8Very high90.8Very high37 Ų3727 Ų2726%0.25915%0.148SC..Hα-helixtrans-66.5-51.2-178.6-56.20000111N600 L604 L605 E606N600-S602 VanDerWaalsContact C-N 3.26Å; N600-S602 PolarHBondContact O-N 3.35Å; N600-S602 PolarHBondContact OD1-N 3.47Å; S602-L604 VanDerWaalsContact C-N 3.32Å; S602-L604 PolarHBondContact O-N 3.41Å; S602-L605 PolarHBondContact O-N 3.33Å; S602-E606 VanDerWaalsContact O-CB 3.24Å; S602-E606 WeakPolarHBondContact O-CB 3.45Å; S602-E606 WeakPolarHBondContact O-CG 3.4Å; S602-E606 PolarHBondContact O-N 2.88Å
603R96Very high87.6Confident41 Ų4135.4 Ų35.416%0.15520%0.199CC..Hα-helixtrans-62.1-39.3178.3-70.1-177.2-171.386.4-12.6112.4D250 R254 I255 N600 A607D250-R603 VanDerWaalsContact CG-NH1 3.35Å; D250-R603 IonicContact OD1-CZ 3.81Å; D250-R603 IonicContact OD1-NH1 2.74Å; D250-R603 PolarHBondContact OD1-NH1 3.47Å; D250-R603 IonicContact OD1-NH2 3.68Å; D250-R603 PolarHBondContact OD1-NH2 2.79Å; D250-R603 IonicContact OD2-CZ 2.84Å; D250-R603 IonicContact OD2-NH1 3.7Å; D250-R603 PolarHBondContact OD2-NH1 2.94Å; D250-R603 IonicContact OD2-NH2 2.82Å; R254-R603 VanDerWaalsContact CG-NH2 3.35Å; I255-R603 PolarHBondContact O-NH2 2.75Å; N600-R603 PolarHBondContact ND2-NH1 3.39Å; N600-R603 VanDerWaalsContact ND2-NH1 3.1Å; N600-R603 PolarHBondContact O-N 3.49Å; N600-R603 WeakPolarHBondContact OD1-CB 3.36Å; N600-R603 WeakPolarHBondContact OD1-CG 3.48Å; N600-R603 PolarHBondContact OD1-N 3.18Å; N600-R603 PolarHBondContact OD1-NH1 3.1Å; R603-A607 WeakPolarHBondContact O-CB 3.35Å; R603-A607 PolarHBondContact O-N 3.16Å; R603-A607 VanDerWaalsContact O-N 3.11Å
604L96.4Very high87.1Confident0 Ų037.1 Ų37.10%021%0.208CC..Hα-helixtrans-59.6-48.1176.8-176.973.5000111F161 P238 L239 N600 S602 L608F161-L604 HydrophobicContact CD1-CD1 3.94Å; F161-L604 HydrophobicContact CD2-CD1 4.25Å; F161-L604 HydrophobicContact CE1-CD1 3.44Å; F161-L604 VanDerWaalsContact CE1-CD1 3.44Å; F161-L604 HydrophobicContact CE1-CG 4.36Å; F161-L604 HydrophobicContact CE2-CD1 3.84Å; F161-L604 HydrophobicContact CG-CD1 4.31Å; F161-L604 HydrophobicContact CZ-CD1 3.41Å; F161-L604 VanDerWaalsContact CZ-CD1 3.41Å; F161-L604 HydrophobicContact CZ-CG 4.49Å; P238-L604 HydrophobicContact CB-CD2 4.15Å; P238-L604 HydrophobicContact CG-CD2 3.98Å; L239-L604 HydrophobicContact CD2-CD2 4.21Å; L239-L604 HydrophobicContact CG-CD2 4.38Å; N600-L604 VanDerWaalsContact O-CB 3.3Å; N600-L604 WeakPolarHBondContact O-CB 3.43Å; N600-L604 PolarHBondContact O-N 3.25Å; S602-L604 VanDerWaalsContact C-N 3.32Å; S602-L604 PolarHBondContact O-N 3.41Å; L604-L608 WeakPolarHBondContact O-CG 3.45Å
605L96.9Very high86.5Confident0 Ų039.1 Ų39.10%022%0.219CC..Hα-helixtrans-76.7-37.3-177.9-65.8173.4000112.6L239 I392 L395 R396 L435 S601 S602 A607 L608 L609L239-L605 HydrophobicContact CD2-CD1 4.44Å; L239-L605 HydrophobicContact CD2-CD2 4.28Å; L239-L605 HydrophobicContact CD2-CG 4.47Å; I392-L605 HydrophobicContact CD1-CB 4.42Å; I392-L605 HydrophobicContact CG2-CB 4.45Å; I392-L605 HydrophobicContact CG2-CD1 4.07Å; L395-L605 HydrophobicContact CB-CD1 4.48Å; L395-L605 HydrophobicContact CD2-CD2 4.39Å; L395-L605 HydrophobicContact CG-CD2 4.48Å; R396-L605 HydrophobicContact CB-CD1 3.61Å; R396-L605 HydrophobicContact CG-CD1 4.23Å; L435-L605 HydrophobicContact CD2-CD2 4.12Å; S601-L605 WeakPolarHBondContact O-CB 3.25Å; S601-L605 VanDerWaalsContact O-CG 3.28Å; S601-L605 WeakPolarHBondContact O-CG 3.43Å; S601-L605 PolarHBondContact O-N 3.43Å; S602-L605 PolarHBondContact O-N 3.33Å; L605-A607 PolarHBondContact O-N 2.94Å; L605-L608 WeakPolarHBondContact O-CA 3.2Å; L605-L608 WeakPolarHBondContact O-CB 3.26Å; L605-L608 PolarHBondContact O-N 3.1Å; L605-L609 PolarHBondContact O-N 3.04Å
606E95.5Very high85.8Confident67 Ų6741.2 Ų41.231%0.31323%0.231SC..Hα-helixtrans-55.8-38.7172.5-79170.4-162.600111.4R254 I392 S602 L608 L609R254-E606 IonicContact NH2-OE2 2.71Å; R254-E606 PolarHBondContact NH2-OE2 3.01Å; I392-E606 HydrophobicContact CD1-CG 4.39Å; S602-E606 VanDerWaalsContact O-CB 3.24Å; S602-E606 WeakPolarHBondContact O-CB 3.45Å; S602-E606 WeakPolarHBondContact O-CG 3.4Å; S602-E606 PolarHBondContact O-N 2.88Å; E606-L608 PolarHBondContact O-N 3.33Å; E606-L609 WeakPolarHBondContact O-CB 3.15Å; E606-L609 PolarHBondContact O-N 3.34Å
607A94.1Very high85Confident20 Ų2043.6 Ų43.617%0.16524%0.244CC..THydrogen-bonded Turntrans-63.1-21.1176.800000113.5F161 R162 R603 L605F161-A607 HydrophobicContact CD1-CB 4.12Å; R162-A607 WeakPolarHBondContact CD-O 3.43Å; R162-A607 PolarHBondContact NH1-O 2.98Å; R603-A607 WeakPolarHBondContact O-CB 3.35Å; R603-A607 PolarHBondContact O-N 3.16Å; R603-A607 VanDerWaalsContact O-N 3.11Å; L605-A607 PolarHBondContact O-N 2.94Å
608L94.2Very high84.3Confident0 Ų045.6 Ų45.60%025%0.253CS..THydrogen-bonded Turntrans-99.7-9-178.7-54.8-180000113.4F161 L166 N434 L435 L438 L440 L604 L605 E606F161-L608 HydrophobicContact CE1-CD2 3.88Å; F161-L608 HydrophobicContact CE1-CG 4.29Å; L166-L608 HydrophobicContact CB-CD2 4.49Å; L166-L608 HydrophobicContact CD2-CD2 3.96Å; N434-L608 HydrophobicContact CB-CB 4.47Å; N434-L608 PolarHBondContact ND2-O 3.25Å; L435-L608 HydrophobicContact CD2-CD1 3.54Å; L435-L608 HydrophobicContact CG-CD1 4.45Å; L438-L608 HydrophobicContact CD1-CD1 3.72Å; L438-L608 HydrophobicContact CD1-CD2 3.33Å; L438-L608 HydrophobicContact CD1-CG 4.17Å; L440-L608 HydrophobicContact CD1-CD1 3.61Å; L604-L608 WeakPolarHBondContact O-CG 3.45Å; L605-L608 WeakPolarHBondContact O-CA 3.2Å; L605-L608 WeakPolarHBondContact O-CB 3.26Å; L605-L608 PolarHBondContact O-N 3.1Å; E606-L608 PolarHBondContact O-N 3.33Å
609L92.4Very high83.4Confident25 Ų2547.4 Ų47.413%0.13126%0.264CS..SBendtrans-64.9147.7167.9-58.5-176000109.1R162 M391 I392 T431 L605 E606 N611R162-L609 PolarHBondContact NH1-O 2.95Å; M391-L609 HydrophobicContact CE-CD1 3.84Å; M391-L609 HydrophobicContact CE-CD2 4.44Å; I392-L609 HydrophobicContact CD1-CD1 4.09Å; T431-L609 HydrophobicContact CG2-CD2 3.76Å; L605-L609 PolarHBondContact O-N 3.04Å; E606-L609 WeakPolarHBondContact O-CB 3.15Å; E606-L609 PolarHBondContact O-N 3.34Å; L609-N611 VanDerWaalsContact C-N 3.31Å; L609-N611 PolarHBondContact O-N 3.22Å
610D75.6Confident82.3Confident71 Ų7150 Ų5038%0.3828%0.278SS..  trans-76.196.4168.4-159.422.8000107.1L430 N612L430-D610 HydrophobicContact CB-CB 4.21Å; L430-D610 HydrophobicContact CD1-CB 4.25Å; L430-D610 WeakPolarHBondContact CD1-OD2 3.46Å; D610-N612 PolarHBondContact O-N 3.12Å; D610-N612 VanDerWaalsContact O-N 3.1Å
611N55.6Low81.2Confident105 Ų10553.5 Ų53.556%0.56130%0.297SS*.  trans-71.9102.8168.6-65.2-27.6000104.8L609 V613L609-N611 VanDerWaalsContact C-N 3.31Å; L609-N611 PolarHBondContact O-N 3.22Å; N611-V613 PolarHBondContact O-N 3.38Å
612N34.4Very low80Confident142 Ų14257.1 Ų57.176%0.75932%0.316SS*.  trans-47.1113.9161-83.5-36.9000107.2D610D610-N612 PolarHBondContact O-N 3.12Å; D610-N612 VanDerWaalsContact O-N 3.1Å
613V33Very low78.5Confident177 Ų17758.9 Ų58.9100%1.07332%0.322SS*.  trans-90172.3179.40000116.5N611N611-V613 PolarHBondContact O-N 3.38Å

Retrieved 613 of 613 residues in 415.4 ms (Link to these results)

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