A0A087Y4L1_POEFO Loading...

HPS1 biogenesis of lysosomal organelles complex 3 subunit 1

AlphaFold DB , UniProt , Accession A0A087Y4L1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 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
1M85.4Confident89.4Confident43 Ų4327.8 Ų27.821%0.21216%0.157CC..  093.80-86.4-151-60.100109.9D19 E21 H74 G91 D92M1-D19 VanDerWaalsContact C-OD2 3.25Å; M1-D19 WeakPolarHBondContact CA-OD1 3.03Å; M1-D19 WeakPolarHBondContact CA-OD2 3.37Å; M1-D19 PolarHBondContact N-OD2 2.96Å; M1-E21 HydrophobicContact CG-CB 3.84Å; M1-E21 PolarHBondContact N-OE2 3.41Å; M1-H74 WeakPolarHBondContact CE-NE2 3.49Å; M1-G91 PolarHBondContact O-N 3.19Å; M1-D92 PolarHBondContact N-OD2 2.88Å
2K91.4Very high89.4Confident24 Ų2430.5 Ų30.510%0.10417%0.167CC..EExtended strand (participates in β ladder)trans-138140.7-169.9-58.3178-170.4174.60110.7W17 S18 D19 V89 N90 D92 E94K2-W17 HydrophobicContact CB-CH2 4.14Å; K2-W17 HydrophobicContact CB-CZ3 3.79Å; K2-S18 VanDerWaalsContact O-CA 3.32Å; K2-S18 WeakPolarHBondContact O-CA 3.44Å; K2-D19 PolarHBondContact N-OD1 3.41Å; K2-D19 VanDerWaalsContact N-OD1 3.08Å; K2-D19 PolarHBondContact N-OD2 3.31Å; K2-D19 PolarHBondContact O-N 3.34Å; K2-V89 WeakPolarHBondContact CA-O 3.42Å; K2-N90 WeakPolarHBondContact CG-OD1 3.22Å; K2-D92 WeakPolarHBondContact CE-OD2 3.49Å; K2-D92 IonicContact NZ-OD2 3.52Å; K2-E94 IonicContact NZ-OE2 3.58Å; K2-E94 PolarHBondContact NZ-OE2 2.81Å
3C92.7Very high89.5Confident2 Ų228.2 Ų28.21%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-143138.7176.7-174.20000111.1W17 Y22 A88 V89C3-W17 CarbonylContact C-O 3.59Å; C3-W17 WeakPolarHBondContact CA-O 3.28Å; C3-Y22 HydrophobicContact CB-CD1 3.92Å; C3-Y22 HydrophobicContact CB-CD2 4.05Å; C3-Y22 HydrophobicContact CB-CE1 3.72Å; C3-Y22 HydrophobicContact CB-CE2 3.86Å; C3-Y22 HydrophobicContact CB-CG 4.08Å; C3-A88 CarbonylContact O-C 3.6Å; C3-A88 WeakPolarHBondContact O-CA 3.3Å; C3-V89 HydrophobicContact CB-CB 4.12Å; C3-V89 HydrophobicContact CB-CG2 4.38Å; C3-V89 PolarHBondContact N-O 3.43Å; C3-V89 PolarHBondContact O-N 3.41Å
4L94.4Very high89.7Confident7 Ų726.1 Ų26.14%0.03714%0.143CC..EExtended strand (participates in β ladder)trans-124.4138.3171.8-65.9168.9000108.6H16 W17 I87 A88 K103 L104 L148L4-H16 CarbonylContact O-C 3.45Å; L4-H16 VanDerWaalsContact O-CA 3.3Å; L4-H16 WeakPolarHBondContact O-CA 3.44Å; L4-W17 HydrophobicContact CB-CB 4.29Å; L4-W17 HydrophobicContact CB-CE3 4.23Å; L4-W17 HydrophobicContact CD1-CD2 4.43Å; L4-W17 HydrophobicContact CD1-CE3 3.87Å; L4-W17 HydrophobicContact CD1-CZ3 4.41Å; L4-W17 HydrophobicContact CG-CE3 3.94Å; L4-W17 HydrophobicContact CG-CZ3 4.48Å; L4-W17 PolarHBondContact N-O 2.96Å; L4-W17 PolarHBondContact O-N 3.48Å; L4-W17 VanDerWaalsContact O-O 3.12Å; L4-I87 CarbonylContact C-O 3.45Å; L4-I87 WeakPolarHBondContact CA-O 3.43Å; L4-A88 HydrophobicContact CD2-CB 3.55Å; L4-K103 HydrophobicContact CD2-CB 4.31Å; L4-L104 HydrophobicContact CD2-CD2 3.94Å; L4-L148 HydrophobicContact CD1-CD1 3.96Å; L4-L148 HydrophobicContact CD1-CD2 4.44Å
5L94.2Very high90.1Very high0 Ų024.4 Ų24.40%013%0.134CC..EExtended strand (participates in β ladder)trans-146.6143.5-173.9-171.5130.8000111.4A7 V13 F15 H16 L47 F51 Y86 I87L5-A7 HydrophobicContact CD2-CB 3.82Å; L5-V13 HydrophobicContact CD1-CB 4.44Å; L5-V13 HydrophobicContact CD1-CG1 3.66Å; L5-V13 HydrophobicContact CD1-CG2 3.91Å; L5-V13 HydrophobicContact CD2-CG2 4.38Å; L5-V13 HydrophobicContact CG-CG1 4.02Å; L5-F15 WeakPolarHBondContact CA-O 3.47Å; L5-H16 HydrophobicContact CD1-CB 4.23Å; L5-L47 HydrophobicContact CD1-CD1 4.34Å; L5-F51 HydrophobicContact CD1-CD2 4.06Å; L5-F51 HydrophobicContact CD1-CE2 4.3Å; L5-Y86 WeakPolarHBondContact O-CA 3.14Å; L5-I87 HydrophobicContact CB-CB 4.4Å; L5-I87 HydrophobicContact CD2-CD1 4.17Å; L5-I87 PolarHBondContact N-O 2.71Å; L5-I87 PolarHBondContact O-N 2.92Å
6I94.4Very high90.3Very high0 Ų023.6 Ų23.60%013%0.128CC..EExtended strand (participates in β ladder)trans-116126.7168.4-54.3176.3000107.2L14 F15 C84 Y86 L107 V111 L129I6-L14 HydrophobicContact CB-CB 4.42Å; I6-L14 HydrophobicContact CG2-CB 4.24Å; I6-L14 HydrophobicContact CG2-CD1 4.31Å; I6-L14 WeakPolarHBondContact O-CB 3.46Å; I6-L14 PolarHBondContact O-N 2.85Å; I6-F15 HydrophobicContact CB-CB 4.2Å; I6-F15 HydrophobicContact CD1-CB 4.13Å; I6-F15 HydrophobicContact CD1-CD1 4.05Å; I6-F15 HydrophobicContact CD1-CG 4.44Å; I6-F15 HydrophobicContact CG1-CB 4.28Å; I6-F15 HydrophobicContact CG1-CD1 4.16Å; I6-F15 PolarHBondContact N-O 3.08Å; I6-F15 PolarHBondContact O-N 3.06Å; I6-C84 HydrophobicContact CG2-CB 4.27Å; I6-Y86 HydrophobicContact CD1-CD1 4.23Å; I6-Y86 HydrophobicContact CD1-CE1 3.57Å; I6-Y86 HydrophobicContact CG1-CD1 3.86Å; I6-Y86 HydrophobicContact CG1-CE1 3.71Å; I6-Y86 HydrophobicContact CG1-CE2 4.43Å; I6-Y86 HydrophobicContact CG1-CG 4.29Å; I6-Y86 HydrophobicContact CG2-CD2 4.22Å; I6-Y86 HydrophobicContact CG2-CE2 3.87Å; I6-L107 HydrophobicContact CD1-CD1 4.26Å; I6-L107 HydrophobicContact CD1-CD2 3.98Å; I6-L107 HydrophobicContact CD1-CG 4.08Å; I6-L107 HydrophobicContact CG1-CD2 3.9Å; I6-V111 HydrophobicContact CD1-CG2 4.09Å; I6-L129 HydrophobicContact CD1-CD1 4.07Å; I6-L129 HydrophobicContact CG2-CD1 4.07Å
7A92.4Very high90.5Very high0 Ų023.6 Ų23.60%013%0.126CC..EExtended strand (participates in β ladder)trans-124.5151.6177.800000112.2L5 E12 I55 C84 L85L5-A7 HydrophobicContact CD2-CB 3.82Å; A7-E12 CarbonylContact C-O 3.58Å; A7-E12 VanDerWaalsContact CA-O 3.26Å; A7-E12 WeakPolarHBondContact CA-O 3.34Å; A7-I55 HydrophobicContact CB-CD1 3.49Å; A7-I55 VanDerWaalsContact CB-CD1 3.49Å; A7-I55 HydrophobicContact CB-CG1 3.96Å; A7-I55 HydrophobicContact CB-CG2 4.45Å; A7-C84 CarbonylContact O-C 3.59Å; A7-C84 WeakPolarHBondContact O-CA 3.45Å; A7-L85 PolarHBondContact N-O 2.92Å; A7-L85 PolarHBondContact O-N 3.47Å
8S89.7Confident90.6Very high12 Ų1222.7 Ų22.78%0.08412%0.122CC..EExtended strand (participates in β ladder)trans-80.3167.5168.472.80000111.8S10 A11 E12S8-S10 PolarHBondContact O-N 3.18Å; S8-S10 VanDerWaalsContact O-N 3.16Å; S8-S10 PolarHBondContact OG-N 3.27Å; S8-S10 PolarHBondContact OG-OG 3.31Å; S8-A11 PolarHBondContact O-N 3.18Å; S8-E12 PolarHBondContact N-O 2.93Å; S8-E12 WeakPolarHBondContact OG-CB 3.49Å; S8-E12 PolarHBondContact OG-N 3.49Å
9E81.7Confident90.6Very high117 Ų11723 Ų2355%0.54712%0.124SC..THydrogen-bonded Turntrans-56.8-25.9170-64.4179.6174.200113.4A11 E83E9-A11 PolarHBondContact O-N 3.34Å; E9-E83 WeakPolarHBondContact CG-O 3.27Å
10S82.4Confident90.4Very high86 Ų8631.5 Ų31.560%0.60115%0.154SC*.THydrogen-bonded Turntrans-85.816.517869.10000113.5S8 E12S8-S10 PolarHBondContact O-N 3.18Å; S8-S10 VanDerWaalsContact O-N 3.16Å; S8-S10 PolarHBondContact OG-N 3.27Å; S8-S10 PolarHBondContact OG-OG 3.31Å; S10-E12 PolarHBondContact O-N 2.81Å
11A84.6Confident90.2Very high15 Ų1535 Ų3512%0.12417%0.17CC..SBendtrans58.626.2-176.600000115S8 E9 A52 I55 I56S8-A11 PolarHBondContact O-N 3.18Å; E9-A11 PolarHBondContact O-N 3.34Å; A11-A52 HydrophobicContact CB-CB 4.14Å; A11-I55 HydrophobicContact CB-CB 4.03Å; A11-I55 HydrophobicContact CB-CD1 4.1Å; A11-I55 HydrophobicContact CB-CG2 3.96Å; A11-I56 HydrophobicContact CB-CG1 4.35Å
12E89.2Confident90.2Very high60 Ų6033.3 Ų33.328%0.2816%0.161SC..  trans-87.5128.5174.1-174.2-179.5-172.600109.9A7 S8 S10 L14 R126 R130A7-E12 CarbonylContact C-O 3.58Å; A7-E12 VanDerWaalsContact CA-O 3.26Å; A7-E12 WeakPolarHBondContact CA-O 3.34Å; S8-E12 PolarHBondContact N-O 2.93Å; S8-E12 WeakPolarHBondContact OG-CB 3.49Å; S8-E12 PolarHBondContact OG-N 3.49Å; S10-E12 PolarHBondContact O-N 2.81Å; E12-L14 HydrophobicContact CG-CD2 4.32Å; E12-L14 PolarHBondContact O-N 3.48Å; E12-R126 VanDerWaalsContact OE2-CD 3.28Å; E12-R126 WeakPolarHBondContact OE2-CD 3.33Å; E12-R126 IonicContact OE2-NH1 3.13Å; E12-R126 PolarHBondContact OE2-NH1 3.4Å; E12-R130 VanDerWaalsContact OE1-CD 3.28Å; E12-R130 WeakPolarHBondContact OE1-CD 3.31Å; E12-R130 IonicContact OE1-NE 3.04Å; E12-R130 PolarHBondContact OE1-NE 3.25Å
13V91.4Very high89.9Confident0 Ų036.4 Ų36.40%017%0.172CC..EExtended strand (participates in β ladder)trans-75.6112176.31790000110.1L5 H16 S48 R130L5-V13 HydrophobicContact CD1-CB 4.44Å; L5-V13 HydrophobicContact CD1-CG1 3.66Å; L5-V13 HydrophobicContact CD1-CG2 3.91Å; L5-V13 HydrophobicContact CD2-CG2 4.38Å; L5-V13 HydrophobicContact CG-CG1 4.02Å; V13-H16 HydrophobicContact CG1-CB 4.38Å; V13-S48 WeakPolarHBondContact CG2-OG 3.48Å; V13-R130 WeakPolarHBondContact O-CD 3.41Å; V13-R130 PolarHBondContact O-NH1 2.92Å
14L92.3Very high89.5Confident0 Ų040.1 Ų40.10%019%0.19CC..EExtended strand (participates in β ladder)trans-88.5-29.7-178-56.5-174000113I6 E12 R126 L129 R130 W141I6-L14 HydrophobicContact CB-CB 4.42Å; I6-L14 HydrophobicContact CG2-CB 4.24Å; I6-L14 HydrophobicContact CG2-CD1 4.31Å; I6-L14 WeakPolarHBondContact O-CB 3.46Å; I6-L14 PolarHBondContact O-N 2.85Å; E12-L14 HydrophobicContact CG-CD2 4.32Å; E12-L14 PolarHBondContact O-N 3.48Å; L14-R126 HydrophobicContact CD1-CB 4.19Å; L14-R126 HydrophobicContact CD2-CB 4.04Å; L14-R126 HydrophobicContact CD2-CG 3.58Å; L14-L129 HydrophobicContact CB-CB 4.07Å; L14-L129 HydrophobicContact CB-CD1 4.15Å; L14-L129 HydrophobicContact CD1-CD1 4.43Å; L14-L129 CarbonylContact O-C 3.55Å; L14-R130 HydrophobicContact CD2-CB 4.4Å; L14-W141 VanDerWaalsContact O-CE2 3.28Å; L14-W141 WeakPolarHBondContact O-CZ2 3.17Å; L14-W141 PolarHBondContact O-NE1 3.44Å
15F94.8Very high89.1Confident0 Ų040.7 Ų40.70%019%0.194CC..EExtended strand (participates in β ladder)trans-160.8149.8177.5169.7-100.7000109.6L5 I6 W17 L107 W141 L144 Q145 L148L5-F15 WeakPolarHBondContact CA-O 3.47Å; I6-F15 HydrophobicContact CB-CB 4.2Å; I6-F15 HydrophobicContact CD1-CB 4.13Å; I6-F15 HydrophobicContact CD1-CD1 4.05Å; I6-F15 HydrophobicContact CD1-CG 4.44Å; I6-F15 HydrophobicContact CG1-CB 4.28Å; I6-F15 HydrophobicContact CG1-CD1 4.16Å; I6-F15 PolarHBondContact N-O 3.08Å; I6-F15 PolarHBondContact O-N 3.06Å; F15-W17 HydrophobicContact CE1-CB 4.24Å; F15-W17 HydrophobicContact CZ-CB 4.15Å; F15-L107 HydrophobicContact CD1-CD1 4.36Å; F15-L107 HydrophobicContact CD1-CD2 4.35Å; F15-L107 HydrophobicContact CE1-CD1 4.03Å; F15-L107 HydrophobicContact CE1-CD2 4.28Å; F15-W141 HydrophobicContact CD2-CB 4.35Å; F15-W141 AromaticContact CD2-CD1 3.89Å; F15-W141 HydrophobicContact CD2-CD2 4.44Å; F15-W141 AromaticContact CD2-CG 3.99Å; F15-W141 HydrophobicContact CD2-CG 3.99Å; F15-W141 HydrophobicContact CE2-CB 4.42Å; F15-L144 HydrophobicContact CD2-CB 4.09Å; F15-L144 HydrophobicContact CD2-CD1 4.06Å; F15-L144 HydrophobicContact CE2-CB 3.37Å; F15-L144 HydrophobicContact CE2-CD1 4.21Å; F15-L144 HydrophobicContact CE2-CG 4.39Å; F15-L144 HydrophobicContact CZ-CB 3.72Å; F15-Q145 HydrophobicContact CE2-CG 3.92Å; F15-Q145 HydrophobicContact CZ-CG 3.93Å; F15-L148 HydrophobicContact CE1-CD1 3.8Å; F15-L148 HydrophobicContact CZ-CD1 3.91Å
16H93.8Very high88.6Confident11 Ų1141.2 Ų41.25%0.05120%0.197CC..EExtended strand (participates in β ladder)trans-144.9149.7171.474.8-72.4000111.9L4 L5 V13 F43 L47 W141 Q145L4-H16 CarbonylContact O-C 3.45Å; L4-H16 VanDerWaalsContact O-CA 3.3Å; L4-H16 WeakPolarHBondContact O-CA 3.44Å; L5-H16 HydrophobicContact CD1-CB 4.23Å; V13-H16 HydrophobicContact CG1-CB 4.38Å; H16-F43 AromaticContact CD2-CE1 3.71Å; H16-F43 AromaticContact NE2-CD1 3.7Å; H16-F43 AromaticContact NE2-CE1 3.76Å; H16-L47 HydrophobicContact CB-CD1 3.87Å; H16-W141 AromaticContact CE1-CE3 3.66Å; H16-W141 AromaticContact CE1-CZ3 3.43Å; H16-W141 VanDerWaalsContact CE1-CZ3 3.43Å; H16-W141 WeakPolarHBondContact CE1-CZ3 3.41Å; H16-W141 AromaticContact ND1-CE3 3.57Å; H16-W141 AromaticContact ND1-CH2 3.96Å; H16-W141 AromaticContact ND1-CZ3 3.22Å; H16-W141 WeakPolarHBondContact ND1-CZ3 3.27Å; H16-Q145 PolarHBondContact O-NE2 3.39Å
17W94.5Very high88Confident24 Ų2446.2 Ų46.29%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-132.4141.5165.1172.796.5000108K2 C3 L4 F15 D19 Q145 L148 D149K2-W17 HydrophobicContact CB-CH2 4.14Å; K2-W17 HydrophobicContact CB-CZ3 3.79Å; C3-W17 CarbonylContact C-O 3.59Å; C3-W17 WeakPolarHBondContact CA-O 3.28Å; L4-W17 HydrophobicContact CB-CB 4.29Å; L4-W17 HydrophobicContact CB-CE3 4.23Å; L4-W17 HydrophobicContact CD1-CD2 4.43Å; L4-W17 HydrophobicContact CD1-CE3 3.87Å; L4-W17 HydrophobicContact CD1-CZ3 4.41Å; L4-W17 HydrophobicContact CG-CE3 3.94Å; L4-W17 HydrophobicContact CG-CZ3 4.48Å; L4-W17 PolarHBondContact N-O 2.96Å; L4-W17 PolarHBondContact O-N 3.48Å; L4-W17 VanDerWaalsContact O-O 3.12Å; F15-W17 HydrophobicContact CE1-CB 4.24Å; F15-W17 HydrophobicContact CZ-CB 4.15Å; W17-D19 HydrophobicContact CH2-CB 4.45Å; W17-Q145 HydrophobicContact CB-CG 4.21Å; W17-L148 HydrophobicContact CB-CD1 3.79Å; W17-L148 HydrophobicContact CG-CD1 4.03Å; W17-D149 PolarHBondContact NE1-OD1 3.43Å
18S92.1Very high87.5Confident7 Ų753.1 Ų53.15%0.04925%0.252CS..EExtended strand (participates in β ladder)trans-154.9139.3-178.9570000109.3K2 R23K2-S18 VanDerWaalsContact O-CA 3.32Å; K2-S18 WeakPolarHBondContact O-CA 3.44Å; S18-R23 WeakPolarHBondContact OG-CG 3.5Å; S18-R23 PolarHBondContact OG-NE 3.01Å
19D89.9Confident86.9Confident29 Ų2958 Ų5816%0.15527%0.272CS..  trans-68.9168172.668.29.4000111.9M1 K2 W17 E21 Y22 R23M1-D19 VanDerWaalsContact C-OD2 3.25Å; M1-D19 WeakPolarHBondContact CA-OD1 3.03Å; M1-D19 WeakPolarHBondContact CA-OD2 3.37Å; M1-D19 PolarHBondContact N-OD2 2.96Å; K2-D19 PolarHBondContact N-OD1 3.41Å; K2-D19 VanDerWaalsContact N-OD1 3.08Å; K2-D19 PolarHBondContact N-OD2 3.31Å; K2-D19 PolarHBondContact O-N 3.34Å; W17-D19 HydrophobicContact CH2-CB 4.45Å; D19-E21 VanDerWaalsContact C-N 3.28Å; D19-E21 PolarHBondContact O-N 3.17Å; D19-Y22 PolarHBondContact O-N 3.17Å; D19-Y22 WeakPolarHBondContact OD1-CA 3.36Å; D19-Y22 WeakPolarHBondContact OD1-CB 3.44Å; D19-Y22 PolarHBondContact OD1-N 2.86Å; D19-R23 PolarHBondContact O-N 3.02Å; D19-R23 VanDerWaalsContact O-N 3.15Å
20R86.4Confident86.6Confident192 Ų19257.2 Ų57.273%0.72527%0.265SS*.Hα-helixtrans-62-38.9-177.4-174.9177.6176.6178.11.9111.8R23 Q24R20-R23 PolarHBondContact O-N 3.45Å; R20-Q24 WeakPolarHBondContact O-CG 3.36Å; R20-Q24 PolarHBondContact O-N 3.49Å
21E86.6Confident85.6Confident107 Ų10754 Ų5450%0.525%0.246SC..Hα-helixtrans-65.3-43.5-178.9-65152.8-164.700111.7M1 D19 Q24 S25M1-E21 HydrophobicContact CG-CB 3.84Å; M1-E21 PolarHBondContact N-OE2 3.41Å; D19-E21 VanDerWaalsContact C-N 3.28Å; D19-E21 PolarHBondContact O-N 3.17Å; E21-Q24 PolarHBondContact O-N 2.9Å; E21-S25 VanDerWaalsContact O-CB 3.27Å; E21-S25 WeakPolarHBondContact O-CB 3.38Å; E21-S25 PolarHBondContact O-N 2.96Å
22Y85.8Confident84.1Confident7 Ų759.3 Ų59.33%0.02728%0.276CS..Hα-helixtrans-64.2-43.3176.5-172.7-88.2000110.9C3 D19 Q24 S25 I26 F43 L47 V89C3-Y22 HydrophobicContact CB-CD1 3.92Å; C3-Y22 HydrophobicContact CB-CD2 4.05Å; C3-Y22 HydrophobicContact CB-CE1 3.72Å; C3-Y22 HydrophobicContact CB-CE2 3.86Å; C3-Y22 HydrophobicContact CB-CG 4.08Å; D19-Y22 PolarHBondContact O-N 3.17Å; D19-Y22 WeakPolarHBondContact OD1-CA 3.36Å; D19-Y22 WeakPolarHBondContact OD1-CB 3.44Å; D19-Y22 PolarHBondContact OD1-N 2.86Å; Y22-Q24 PolarHBondContact O-N 3.33Å; Y22-S25 PolarHBondContact O-N 2.97Å; Y22-I26 HydrophobicContact CD1-CG1 4.03Å; Y22-I26 HydrophobicContact CE1-CD1 4.35Å; Y22-I26 HydrophobicContact CE1-CG1 3.66Å; Y22-I26 WeakPolarHBondContact O-CG1 3.17Å; Y22-I26 PolarHBondContact O-N 2.97Å; Y22-F43 HydrophobicContact CD1-CZ 4.41Å; Y22-L47 HydrophobicContact CE1-CD2 4.11Å; Y22-V89 HydrophobicContact CE2-CG1 4.37Å
23R84.9Confident82.3Confident89 Ų8960.5 Ų60.534%0.33629%0.291SS..Hα-helixtrans-58.4-48.2175.3-74.1-177.4172.6169.21.5111.9S18 D19 R20 I26 Q27 F43S18-R23 WeakPolarHBondContact OG-CG 3.5Å; S18-R23 PolarHBondContact OG-NE 3.01Å; D19-R23 PolarHBondContact O-N 3.02Å; D19-R23 VanDerWaalsContact O-N 3.15Å; R20-R23 PolarHBondContact O-N 3.45Å; R23-I26 PolarHBondContact O-N 3.46Å; R23-Q27 WeakPolarHBondContact O-CB 3.39Å; R23-Q27 VanDerWaalsContact O-CG 3.27Å; R23-Q27 WeakPolarHBondContact O-CG 3.42Å; R23-Q27 PolarHBondContact O-N 3.29Å; R23-F43 HydrophobicContact CB-CE2 4.46Å; R23-F43 HydrophobicContact CB-CZ 4.47Å; R23-F43 HydrophobicContact CG-CE1 4.07Å; R23-F43 HydrophobicContact CG-CE2 4.13Å; R23-F43 HydrophobicContact CG-CZ 3.71Å
24Q85.1Confident80.4Confident80 Ų8065.8 Ų65.837%0.37432%0.315SS..Hα-helixtrans-62.7-47.1178.6-73.3174.4-18.800111.6R20 E21 Y22 I26 Q27 E28R20-Q24 WeakPolarHBondContact O-CG 3.36Å; R20-Q24 PolarHBondContact O-N 3.49Å; E21-Q24 PolarHBondContact O-N 2.9Å; Y22-Q24 PolarHBondContact O-N 3.33Å; Q24-I26 VanDerWaalsContact C-N 3.33Å; Q24-I26 PolarHBondContact O-N 3.05Å; Q24-Q27 PolarHBondContact O-N 3.34Å; Q24-E28 WeakPolarHBondContact O-CG 3.41Å; Q24-E28 PolarHBondContact O-N 3.32Å
25S84.9Confident78.2Confident19 Ų1974.6 Ų74.613%0.13336%0.357CS..Hα-helixtrans-58.1-41.1178.4-1770000113E21 Y22 K29E21-S25 VanDerWaalsContact O-CB 3.27Å; E21-S25 WeakPolarHBondContact O-CB 3.38Å; E21-S25 PolarHBondContact O-N 2.96Å; Y22-S25 PolarHBondContact O-N 2.97Å; S25-K29 WeakPolarHBondContact O-CB 3.42Å; S25-K29 VanDerWaalsContact O-CG 3.28Å; S25-K29 WeakPolarHBondContact O-CG 3.37Å; S25-K29 PolarHBondContact O-N 2.94Å
26I84.3Confident75.8Confident10 Ų1084.5 Ų84.55%0.05140%0.403CS..Hα-helixtrans-72.2-41.1176.8-67.2-62.7000111.3Y22 R23 Q24 E28 K29 Y30 F43 I46 L50Y22-I26 HydrophobicContact CD1-CG1 4.03Å; Y22-I26 HydrophobicContact CE1-CD1 4.35Å; Y22-I26 HydrophobicContact CE1-CG1 3.66Å; Y22-I26 WeakPolarHBondContact O-CG1 3.17Å; Y22-I26 PolarHBondContact O-N 2.97Å; R23-I26 PolarHBondContact O-N 3.46Å; Q24-I26 VanDerWaalsContact C-N 3.33Å; Q24-I26 PolarHBondContact O-N 3.05Å; I26-E28 VanDerWaalsContact C-N 3.35Å; I26-E28 PolarHBondContact O-N 2.97Å; I26-K29 PolarHBondContact O-N 3.29Å; I26-Y30 HydrophobicContact CD1-CD2 4.22Å; I26-Y30 HydrophobicContact CD1-CE2 3.98Å; I26-Y30 HydrophobicContact CG2-CD2 4.07Å; I26-Y30 WeakPolarHBondContact O-CB 3.3Å; I26-Y30 WeakPolarHBondContact O-CD2 3.42Å; I26-Y30 PolarHBondContact O-N 3.41Å; I26-F43 HydrophobicContact CB-CE2 4.08Å; I26-F43 HydrophobicContact CG2-CD2 4.35Å; I26-F43 HydrophobicContact CG2-CE2 3.87Å; I26-I46 HydrophobicContact CG2-CB 4.42Å; I26-I46 HydrophobicContact CG2-CG2 3.52Å; I26-L50 HydrophobicContact CD1-CD2 4.07Å
27Q81.6Confident73.7Confident106 Ų10687.7 Ų87.750%0.49544%0.438SS..Hα-helixtrans-63.5-39.2176.6-75.9175.1-18.100112.2R23 Q24 G31R23-Q27 WeakPolarHBondContact O-CB 3.39Å; R23-Q27 VanDerWaalsContact O-CG 3.27Å; R23-Q27 WeakPolarHBondContact O-CG 3.42Å; R23-Q27 PolarHBondContact O-N 3.29Å; Q24-Q27 PolarHBondContact O-N 3.34Å; Q27-G31 WeakPolarHBondContact O-CA 3.16Å; Q27-G31 PolarHBondContact O-N 2.9Å
28E81.1Confident71.4Confident144 Ų14494 Ų9467%0.67347%0.469SS*.Hα-helixtrans-66.4-40.4175.7-73.3173.4-174.600112.2Q24 I26Q24-E28 WeakPolarHBondContact O-CG 3.41Å; Q24-E28 PolarHBondContact O-N 3.32Å; I26-E28 VanDerWaalsContact C-N 3.35Å; I26-E28 PolarHBondContact O-N 2.97Å
29K78.3Confident69.5Low115 Ų11596.9 Ų96.950%0.550%0.5SS..Hα-helixtrans-77.2-34.6-177.3-73.5174.9-174.3173.40114.1S25 I26S25-K29 WeakPolarHBondContact O-CB 3.42Å; S25-K29 VanDerWaalsContact O-CG 3.28Å; S25-K29 WeakPolarHBondContact O-CG 3.37Å; S25-K29 PolarHBondContact O-N 2.94Å; I26-K29 PolarHBondContact O-N 3.29Å
30Y74.1Confident67.8Low101 Ų101102 Ų10240%0.39653%0.527SS..Hα-helixtrans-122.3-12.2-169.6-61.4-80.1000114I26 S33 I46 L50I26-Y30 HydrophobicContact CD1-CD2 4.22Å; I26-Y30 HydrophobicContact CD1-CE2 3.98Å; I26-Y30 HydrophobicContact CG2-CD2 4.07Å; I26-Y30 WeakPolarHBondContact O-CB 3.3Å; I26-Y30 WeakPolarHBondContact O-CD2 3.42Å; I26-Y30 PolarHBondContact O-N 3.41Å; Y30-S33 PolarHBondContact O-OG 3.31Å; Y30-S33 VanDerWaalsContact O-OG 3.08Å; Y30-I46 HydrophobicContact CD2-CG2 4.21Å; Y30-I46 HydrophobicContact CG-CG2 4.05Å; Y30-L50 HydrophobicContact CE2-CD1 4.16Å; Y30-L50 WeakPolarHBondContact OH-CD1 3.36Å
31G61.6Low66.5Low19 Ų1994.8 Ų94.820%0.19650%0.504CS..SBendtrans-82.2-19.7176.800000113.9Q27 L40Q27-G31 WeakPolarHBondContact O-CA 3.16Å; Q27-G31 PolarHBondContact O-N 2.9Å; G31-L40 WeakPolarHBondContact O-CD2 3.2Å
32V53.8Low66Low125 Ų12592.1 Ų92.176%0.75850%0.501SS*.SBendtrans-92.6-6.7-177.7-169.40000112.3
33S51.7Low65.7Low85 Ų8593.3 Ų93.359%0.59451%0.506SS*.  trans-95.418.5-167.149.10000116.3Y30Y30-S33 PolarHBondContact O-OG 3.31Å; Y30-S33 VanDerWaalsContact O-OG 3.08Å
34Q51.2Low65.6Low111 Ų11190.9 Ų90.952%0.51950%0.499SS..SBendtrans-120133.1171.8-76.5-175.3-7.900111.8
35E46.5Very low65.5Low186 Ų18691.1 Ų91.187%0.86950%0.503SS*.  trans-56.3149.2-179.8-67.9-178.9153.900112G37E35-G37 PolarHBondContact O-N 2.93Å
36E43.7Very low65.5Low208 Ų20891.1 Ų91.197%0.97250%0.501SS*.THydrogen-bonded Turntrans-4399.1-178.3-64.1175.5151.800113.3
37G49Very low65.6Low77 Ų7790.6 Ų90.679%0.79450%0.498SS*.THydrogen-bonded Turntrans152.3-23164.300000117.6E35E35-G37 PolarHBondContact O-N 2.93Å
38E46.1Very low65.9Low156 Ų15687 Ų8773%0.72949%0.485SS*.SBendtrans-98.5129.5174.4-71.1-173.2162.300109.8
39G53.9Low66.2Low68 Ų6885.3 Ų85.370%0.70149%0.485SS*.PPolyproline II helixtrans-57.1154178.200000111.7
40L52.6Low66.6Low138 Ų13882 Ų8272%0.72347%0.472SS*.PPolyproline II helixtrans-49.6127.4-179.6-70.4168.5000110.6G31 A42G31-L40 WeakPolarHBondContact O-CD2 3.2Å; L40-A42 PolarHBondContact O-N 3.3Å
41P60.1Low67.4Low39 Ų3977.1 Ų77.125%0.25345%0.453SS..PPolyproline II helixtrans-57.8143177.720.2-29.2000109.6F43 I46P41-F43 PolarHBondContact O-N 3.03Å; P41-I46 HydrophobicContact CB-CG1 4.25Å; P41-I46 HydrophobicContact CG-CD1 4.14Å; P41-I46 HydrophobicContact CG-CG1 3.98Å
42A75.6Confident68.6Low52 Ų5277.4 Ų77.443%0.4345%0.453SS..PPolyproline II helixtrans-57.6141.2178.300000108.9L40 E44 D45 I46L40-A42 PolarHBondContact O-N 3.3Å; A42-E44 PolarHBondContact O-N 2.89Å; A42-D45 WeakPolarHBondContact O-CB 3.48Å; A42-D45 PolarHBondContact O-N 2.83Å; A42-I46 PolarHBondContact O-N 3.39Å
43F80Confident70.3Confident32 Ų3275.5 Ų75.514%0.1444%0.444CS..Hα-helixtrans-52.7-33.7-179.1-179.1-111.3000112.3H16 Y22 R23 I26 P41 D45 I46 L47H16-F43 AromaticContact CD2-CE1 3.71Å; H16-F43 AromaticContact NE2-CD1 3.7Å; H16-F43 AromaticContact NE2-CE1 3.76Å; Y22-F43 HydrophobicContact CD1-CZ 4.41Å; R23-F43 HydrophobicContact CB-CE2 4.46Å; R23-F43 HydrophobicContact CB-CZ 4.47Å; R23-F43 HydrophobicContact CG-CE1 4.07Å; R23-F43 HydrophobicContact CG-CE2 4.13Å; R23-F43 HydrophobicContact CG-CZ 3.71Å; I26-F43 HydrophobicContact CB-CE2 4.08Å; I26-F43 HydrophobicContact CG2-CD2 4.35Å; I26-F43 HydrophobicContact CG2-CE2 3.87Å; P41-F43 PolarHBondContact O-N 3.03Å; F43-D45 VanDerWaalsContact C-N 3.34Å; F43-D45 PolarHBondContact O-N 2.99Å; F43-I46 PolarHBondContact O-N 2.97Å; F43-L47 HydrophobicContact CD1-CD1 3.93Å; F43-L47 HydrophobicContact CD1-CG 4.26Å; F43-L47 HydrophobicContact CE1-CD1 3.52Å; F43-L47 HydrophobicContact CE1-CD2 4.33Å; F43-L47 HydrophobicContact CE1-CG 3.94Å; F43-L47 HydrophobicContact CE2-CD2 4.48Å; F43-L47 HydrophobicContact CE2-CG 4.49Å; F43-L47 HydrophobicContact CZ-CD1 4.05Å; F43-L47 HydrophobicContact CZ-CD2 4.01Å; F43-L47 HydrophobicContact CZ-CG 4.06Å; F43-L47 WeakPolarHBondContact O-CG 3.24Å; F43-L47 PolarHBondContact O-N 3Å
44E81.8Confident72Confident37 Ų3773 Ų7317%0.17342%0.423CS..Hα-helixtrans-59.5-38.3173.7-63.5-176.2-15300113.8A42 L47 S48 R130 R137 W141A42-E44 PolarHBondContact O-N 2.89Å; E44-L47 PolarHBondContact O-N 3.19Å; E44-S48 WeakPolarHBondContact O-CB 3.31Å; E44-S48 PolarHBondContact O-N 3Å; E44-S48 PolarHBondContact O-OG 3.44Å; E44-R130 IonicContact OE2-CZ 3.73Å; E44-R130 IonicContact OE2-NH1 3.19Å; E44-R130 PolarHBondContact OE2-NH1 3.05Å; E44-R130 IonicContact OE2-NH2 3.62Å; E44-R130 PolarHBondContact OE2-NH2 3.12Å; E44-R137 IonicContact OE1-NH2 3.94Å; E44-R137 IonicContact OE2-CZ 2.71Å; E44-R137 IonicContact OE2-NH2 2.93Å; E44-W141 VanDerWaalsContact CD-CZ3 3.46Å; E44-W141 HydrophobicContact CG-CH2 4.28Å; E44-W141 HydrophobicContact CG-CZ3 3.92Å; E44-W141 VanDerWaalsContact OE1-CZ3 3.29Å; E44-W141 WeakPolarHBondContact OE1-CZ3 3.06Å
45D83.4Confident73.6Confident86 Ų8667.8 Ų67.846%0.4640%0.399SS..Hα-helixtrans-73.3-38.2-178.5-60.8-31.5000110.8A42 F43 S48 T49A42-D45 WeakPolarHBondContact O-CB 3.48Å; A42-D45 PolarHBondContact O-N 2.83Å; F43-D45 VanDerWaalsContact C-N 3.34Å; F43-D45 PolarHBondContact O-N 2.99Å; D45-S48 PolarHBondContact O-N 3.32Å; D45-T49 WeakPolarHBondContact O-CB 3.31Å; D45-T49 PolarHBondContact O-N 3.41Å; D45-T49 PolarHBondContact O-OG1 3.14Å
46I85.6Confident75.4Confident18 Ų1863.3 Ų63.39%0.09238%0.38CS..Hα-helixtrans-61.6-47.9172.2-55.2175000109.7I26 Y30 P41 A42 F43 S48 T49 L50I26-I46 HydrophobicContact CG2-CB 4.42Å; I26-I46 HydrophobicContact CG2-CG2 3.52Å; Y30-I46 HydrophobicContact CD2-CG2 4.21Å; Y30-I46 HydrophobicContact CG-CG2 4.05Å; P41-I46 HydrophobicContact CB-CG1 4.25Å; P41-I46 HydrophobicContact CG-CD1 4.14Å; P41-I46 HydrophobicContact CG-CG1 3.98Å; A42-I46 PolarHBondContact O-N 3.39Å; F43-I46 PolarHBondContact O-N 2.97Å; I46-S48 PolarHBondContact O-N 3.44Å; I46-T49 PolarHBondContact O-N 2.77Å; I46-L50 WeakPolarHBondContact O-CB 3.01Å; I46-L50 PolarHBondContact O-N 3.45Å
47L87Confident77.3Confident0 Ų056 Ų560%035%0.352CS..Hα-helixtrans-59.5-45176.6-74-174.3000112L5 H16 Y22 F43 E44 T49 L50 F51L5-L47 HydrophobicContact CD1-CD1 4.34Å; H16-L47 HydrophobicContact CB-CD1 3.87Å; Y22-L47 HydrophobicContact CE1-CD2 4.11Å; F43-L47 HydrophobicContact CD1-CD1 3.93Å; F43-L47 HydrophobicContact CD1-CG 4.26Å; F43-L47 HydrophobicContact CE1-CD1 3.52Å; F43-L47 HydrophobicContact CE1-CD2 4.33Å; F43-L47 HydrophobicContact CE1-CG 3.94Å; F43-L47 HydrophobicContact CE2-CD2 4.48Å; F43-L47 HydrophobicContact CE2-CG 4.49Å; F43-L47 HydrophobicContact CZ-CD1 4.05Å; F43-L47 HydrophobicContact CZ-CD2 4.01Å; F43-L47 HydrophobicContact CZ-CG 4.06Å; F43-L47 WeakPolarHBondContact O-CG 3.24Å; F43-L47 PolarHBondContact O-N 3Å; E44-L47 PolarHBondContact O-N 3.19Å; L47-T49 VanDerWaalsContact C-N 3.3Å; L47-T49 PolarHBondContact O-N 3.02Å; L47-L50 PolarHBondContact O-N 3.21Å; L47-F51 HydrophobicContact CD2-CD2 4.34Å; L47-F51 HydrophobicContact CD2-CE2 3.98Å; L47-F51 WeakPolarHBondContact O-CB 3.46Å; L47-F51 WeakPolarHBondContact O-CD2 3.42Å; L47-F51 PolarHBondContact O-N 2.87Å
48S86.8Confident78.7Confident31 Ų3153.9 Ų53.922%0.21732%0.324CS..Hα-helixtrans-60.9-42.3179.3-59.10000111V13 E44 D45 I46 A52V13-S48 WeakPolarHBondContact CG2-OG 3.48Å; E44-S48 WeakPolarHBondContact O-CB 3.31Å; E44-S48 PolarHBondContact O-N 3Å; E44-S48 PolarHBondContact O-OG 3.44Å; D45-S48 PolarHBondContact O-N 3.32Å; I46-S48 PolarHBondContact O-N 3.44Å; S48-A52 WeakPolarHBondContact O-CB 3.47Å; S48-A52 PolarHBondContact O-N 3.16Å
49T88.1Confident79.9Confident108 Ų10849.5 Ų49.566%0.66331%0.311SS*.Hα-helixtrans-67.1-42.7177.7-560000111.9D45 I46 L47 P53D45-T49 WeakPolarHBondContact O-CB 3.31Å; D45-T49 PolarHBondContact O-N 3.41Å; D45-T49 PolarHBondContact O-OG1 3.14Å; I46-T49 PolarHBondContact O-N 2.77Å; L47-T49 VanDerWaalsContact C-N 3.3Å; L47-T49 PolarHBondContact O-N 3.02Å; T49-P53 WeakPolarHBondContact O-CD 3.48Å
50L87.1Confident80.6Confident44 Ų4450.9 Ų50.923%0.2331%0.306CS..Hα-helixtrans-65-44.4-179.7-174.178.6000112I26 Y30 I46 L47I26-L50 HydrophobicContact CD1-CD2 4.07Å; Y30-L50 HydrophobicContact CE2-CD1 4.16Å; Y30-L50 WeakPolarHBondContact OH-CD1 3.36Å; I46-L50 WeakPolarHBondContact O-CB 3.01Å; I46-L50 PolarHBondContact O-N 3.45Å; L47-L50 PolarHBondContact O-N 3.21Å
51F88.9Confident81.1Confident0 Ų048.7 Ų48.70%030%0.295CS..Hα-helixtrans-90.2-16.7-173.8-76.2-79.6000113.7L5 L47 I54 I55 Y76 I87 V89L5-F51 HydrophobicContact CD1-CD2 4.06Å; L5-F51 HydrophobicContact CD1-CE2 4.3Å; L47-F51 HydrophobicContact CD2-CD2 4.34Å; L47-F51 HydrophobicContact CD2-CE2 3.98Å; L47-F51 WeakPolarHBondContact O-CB 3.46Å; L47-F51 WeakPolarHBondContact O-CD2 3.42Å; L47-F51 PolarHBondContact O-N 2.87Å; F51-I54 HydrophobicContact CD1-CD1 3.94Å; F51-I54 HydrophobicContact CE1-CD1 4.31Å; F51-I54 WeakPolarHBondContact O-CB 3.38Å; F51-I54 PolarHBondContact O-N 3.4Å; F51-I55 HydrophobicContact CB-CD1 3.85Å; F51-I55 HydrophobicContact CB-CG1 4.39Å; F51-I55 WeakPolarHBondContact O-CD1 3.32Å; F51-I55 VanDerWaalsContact O-CG1 3.29Å; F51-I55 WeakPolarHBondContact O-CG1 3.29Å; F51-I55 PolarHBondContact O-N 3.47Å; F51-Y76 HydrophobicContact CE1-CD1 4.23Å; F51-Y76 AromaticContact CE1-CE1 3.8Å; F51-Y76 HydrophobicContact CE1-CE1 3.8Å; F51-Y76 HydrophobicContact CZ-CE1 4.24Å; F51-I87 HydrophobicContact CD1-CD1 3.84Å; F51-I87 HydrophobicContact CD1-CG2 4.31Å; F51-I87 HydrophobicContact CE1-CD1 4.39Å; F51-I87 HydrophobicContact CE1-CG2 3.81Å; F51-V89 HydrophobicContact CE1-CG2 4.05Å; F51-V89 HydrophobicContact CZ-CG2 3.86Å
52A88.8Confident80.8Confident25 Ų2556 Ų5621%0.20733%0.325CS..Hα-helixtrans-53-46.9-179.300000114A11 S48 I54 I55 I56A11-A52 HydrophobicContact CB-CB 4.14Å; S48-A52 WeakPolarHBondContact O-CB 3.47Å; S48-A52 PolarHBondContact O-N 3.16Å; A52-I54 VanDerWaalsContact C-N 3.29Å; A52-I54 PolarHBondContact O-N 3.4Å; A52-I55 PolarHBondContact O-N 2.95Å; A52-I56 WeakPolarHBondContact O-CB 3.44Å; A52-I56 WeakPolarHBondContact O-CD1 3.5Å; A52-I56 WeakPolarHBondContact O-CG1 3.48Å; A52-I56 PolarHBondContact O-N 2.76Å
53P88Confident79.8Confident85 Ų8560.5 Ų60.555%0.55234%0.342SS*.Hα-helixtrans-60.3-39177.3-2334.1000112.8T49 S57T49-P53 WeakPolarHBondContact O-CD 3.48Å; P53-S57 VanDerWaalsContact O-CB 3.31Å; P53-S57 WeakPolarHBondContact O-CB 3.21Å; P53-S57 PolarHBondContact O-N 2.77Å; P53-S57 PolarHBondContact O-OG 3.43Å
54I86.9Confident78.6Confident31 Ų3164 Ų6416%0.15937%0.37CS..Hα-helixtrans-66.6-49179.2-61.4170.8000109.6F51 A52 I56 S57 C58 F68 Y76 L78F51-I54 HydrophobicContact CD1-CD1 3.94Å; F51-I54 HydrophobicContact CE1-CD1 4.31Å; F51-I54 WeakPolarHBondContact O-CB 3.38Å; F51-I54 PolarHBondContact O-N 3.4Å; A52-I54 VanDerWaalsContact C-N 3.29Å; A52-I54 PolarHBondContact O-N 3.4Å; I54-I56 PolarHBondContact O-N 3.46Å; I54-S57 PolarHBondContact O-N 2.97Å; I54-S57 PolarHBondContact O-OG 2.73Å; I54-C58 WeakPolarHBondContact O-CB 3.46Å; I54-C58 PolarHBondContact O-N 3.26Å; I54-F68 HydrophobicContact CD1-CZ 4.18Å; I54-F68 HydrophobicContact CG2-CE1 4.35Å; I54-Y76 HydrophobicContact CD1-CD1 4.37Å; I54-Y76 HydrophobicContact CD1-CE1 4.19Å; I54-L78 HydrophobicContact CG2-CD2 3.45Å; I54-L78 VanDerWaalsContact CG2-CD2 3.45Å
55I86.3Confident77.7Confident2 Ų269.1 Ų69.11%0.0139%0.389CS..Hα-helixtrans-61.8-45.4-179.1-61.2156.6000110.7A7 A11 F51 A52 S57 C58 S59 L85 I87A7-I55 HydrophobicContact CB-CD1 3.49Å; A7-I55 VanDerWaalsContact CB-CD1 3.49Å; A7-I55 HydrophobicContact CB-CG1 3.96Å; A7-I55 HydrophobicContact CB-CG2 4.45Å; A11-I55 HydrophobicContact CB-CB 4.03Å; A11-I55 HydrophobicContact CB-CD1 4.1Å; A11-I55 HydrophobicContact CB-CG2 3.96Å; F51-I55 HydrophobicContact CB-CD1 3.85Å; F51-I55 HydrophobicContact CB-CG1 4.39Å; F51-I55 WeakPolarHBondContact O-CD1 3.32Å; F51-I55 VanDerWaalsContact O-CG1 3.29Å; F51-I55 WeakPolarHBondContact O-CG1 3.29Å; F51-I55 PolarHBondContact O-N 3.47Å; A52-I55 PolarHBondContact O-N 2.95Å; I55-S57 PolarHBondContact O-N 3.16Å; I55-C58 PolarHBondContact O-N 3.24Å; I55-S59 PolarHBondContact O-N 3.26Å; I55-S59 PolarHBondContact O-OG 3.15Å; I55-L85 HydrophobicContact CB-CD2 4.31Å; I55-L85 HydrophobicContact CG1-CD2 4.12Å; I55-L85 HydrophobicContact CG2-CD2 4.22Å; I55-I87 HydrophobicContact CG1-CD1 4.01Å
56I84.6Confident77.6Confident92 Ų9269 Ų6947%0.47239%0.392SS..Hα-helixtrans-64.4-40.3178.2-65.4164.3000111.1A11 A52 I54 C58 S59 T60A11-I56 HydrophobicContact CB-CG1 4.35Å; A52-I56 WeakPolarHBondContact O-CB 3.44Å; A52-I56 WeakPolarHBondContact O-CD1 3.5Å; A52-I56 WeakPolarHBondContact O-CG1 3.48Å; A52-I56 PolarHBondContact O-N 2.76Å; I54-I56 PolarHBondContact O-N 3.46Å; I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 PolarHBondContact O-N 3.38Å; I56-S59 PolarHBondContact O-N 3.3Å; I56-S59 PolarHBondContact O-OG 2.92Å; I56-S59 VanDerWaalsContact O-OG 3.12Å; I56-T60 WeakPolarHBondContact O-CB 3.28Å; I56-T60 VanDerWaalsContact O-CG2 3.32Å; I56-T60 WeakPolarHBondContact O-CG2 3.43Å; I56-T60 PolarHBondContact O-N 2.89Å; I56-T60 PolarHBondContact O-OG1 3.12Å
57S82.6Confident77.7Confident55 Ų5569.6 Ų69.639%0.38540%0.398SS..Hα-helixtrans-65-36.9176.773.10000112.1P53 I54 I55 T60 L61P53-S57 VanDerWaalsContact O-CB 3.31Å; P53-S57 WeakPolarHBondContact O-CB 3.21Å; P53-S57 PolarHBondContact O-N 2.77Å; P53-S57 PolarHBondContact O-OG 3.43Å; I54-S57 PolarHBondContact O-N 2.97Å; I54-S57 PolarHBondContact O-OG 2.73Å; I55-S57 PolarHBondContact O-N 3.16Å; S57-T60 PolarHBondContact O-OG1 3.49Å; S57-L61 WeakPolarHBondContact O-CB 3.29Å; S57-L61 WeakPolarHBondContact O-CD1 3.5Å; S57-L61 VanDerWaalsContact O-CG 3.31Å; S57-L61 WeakPolarHBondContact O-CG 3.28Å; S57-L61 PolarHBondContact O-N 2.78Å
58C78Confident77.8Confident32 Ų3272.7 Ų72.722%0.21641%0.411CS..Hα-helixtrans-73.9-34.3-179.8-163.70000112.4I54 I55 I56 T60 L85I54-C58 WeakPolarHBondContact O-CB 3.46Å; I54-C58 PolarHBondContact O-N 3.26Å; I55-C58 PolarHBondContact O-N 3.24Å; I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 PolarHBondContact O-N 3.38Å; C58-T60 VanDerWaalsContact C-N 3.33Å; C58-L85 HydrophobicContact CB-CD2 3.83Å
59S71.6Confident78Confident65 Ų6575.4 Ų75.446%0.45543%0.427SS..Hα-helixtrans-76.1-20.9178.163.50000113.6I55 I56I55-S59 PolarHBondContact O-N 3.26Å; I55-S59 PolarHBondContact O-OG 3.15Å; I56-S59 PolarHBondContact O-N 3.3Å; I56-S59 PolarHBondContact O-OG 2.92Å; I56-S59 VanDerWaalsContact O-OG 3.12Å
60T69.7Low77.9Confident97 Ų9772.3 Ų72.360%0.59541%0.407SS*.Hα-helixtrans-94.6-19.4-178.750.70000113.9I56 S57 C58I56-T60 WeakPolarHBondContact O-CB 3.28Å; I56-T60 VanDerWaalsContact O-CG2 3.32Å; I56-T60 WeakPolarHBondContact O-CG2 3.43Å; I56-T60 PolarHBondContact O-N 2.89Å; I56-T60 PolarHBondContact O-OG1 3.12Å; S57-T60 PolarHBondContact O-OG1 3.49Å; C58-T60 VanDerWaalsContact C-N 3.33Å
61L62Low77.7Confident91 Ų9179.5 Ų79.548%0.47644%0.44SS..  trans-102.695.8179.1-64171.3000109.2S57 D63 Y65S57-L61 WeakPolarHBondContact O-CB 3.29Å; S57-L61 WeakPolarHBondContact O-CD1 3.5Å; S57-L61 VanDerWaalsContact O-CG 3.31Å; S57-L61 WeakPolarHBondContact O-CG 3.28Å; S57-L61 PolarHBondContact O-N 2.78Å; L61-D63 PolarHBondContact O-N 3.34Å; L61-Y65 HydrophobicContact CD1-CD2 4.23Å; L61-Y65 HydrophobicContact CD1-CE2 4.32Å
62E53.6Low77.3Confident193 Ų19384.8 Ų84.890%0.90247%0.468SS*.SBendtrans-56.5-17-174.1-77.7-174.5148.600115
63D54.4Low77.1Confident147 Ų14789.7 Ų89.779%0.78649%0.491SS*.SBendtrans-155.3123.7173.1-82.8-47.3000108L61L61-D63 PolarHBondContact O-N 3.34Å
64S54.4Low77.2Confident104 Ų10486.8 Ų86.873%0.72747%0.47SS*.  trans168.8-32.6142.7-77.80000116.7
65Y63.3Low77.4Confident146 Ų14687 Ų8757%0.57347%0.471SS*.  trans-109.597.9-167.4-72.7-81000113.1L61L61-Y65 HydrophobicContact CD1-CD2 4.23Å; L61-Y65 HydrophobicContact CD1-CE2 4.32Å
66T81.7Confident77.7Confident83 Ų8388 Ų8851%0.50948%0.475SS..SBendtrans-98.2-17.9171.957.80000112.7V77 L78T66-V77 WeakPolarHBondContact O-CA 3.36Å; T66-L78 WeakPolarHBondContact CA-O 3.39Å; T66-L78 PolarHBondContact O-N 3.22Å; T66-L78 VanDerWaalsContact O-O 3.14Å
67S88.6Confident78.1Confident31 Ų3183.7 Ų83.722%0.21745%0.453CS..EExtended strand (participates in β ladder)trans-159.7155.6173.6610000111.7Y76 E97S67-Y76 CarbonylContact C-O 3.52Å; S67-Y76 WeakPolarHBondContact CA-O 3.09Å; S67-Y76 WeakPolarHBondContact CB-O 3.38Å; S67-E97 WeakPolarHBondContact CB-OE1 3.16Å; S67-E97 PolarHBondContact OG-OE1 2.84Å; S67-E97 PolarHBondContact OG-OE2 2.78Å
68F89.5Confident78.6Confident64 Ų6481.5 Ų81.528%0.28144%0.437SS..EExtended strand (participates in β ladder)trans-153.2158.1168.862.5-94.4000110.8I54 T70 Y76 L78I54-F68 HydrophobicContact CD1-CZ 4.18Å; I54-F68 HydrophobicContact CG2-CE1 4.35Å; F68-T70 HydrophobicContact CD2-CG2 4.3Å; F68-T70 HydrophobicContact CE2-CG2 4Å; F68-Y76 HydrophobicContact CD2-CD2 4.2Å; F68-Y76 HydrophobicContact CD2-CG 4.26Å; F68-Y76 HydrophobicContact CE1-CG 4.21Å; F68-Y76 HydrophobicContact CE2-CD1 4.16Å; F68-Y76 AromaticContact CE2-CD2 3.59Å; F68-Y76 HydrophobicContact CE2-CD2 3.59Å; F68-Y76 HydrophobicContact CE2-CE2 4.31Å; F68-Y76 AromaticContact CE2-CG 3.52Å; F68-Y76 HydrophobicContact CE2-CG 3.52Å; F68-Y76 VanDerWaalsContact CZ-CB 3.46Å; F68-Y76 AromaticContact CZ-CD1 3.78Å; F68-Y76 HydrophobicContact CZ-CD1 3.78Å; F68-Y76 HydrophobicContact CZ-CD2 4.06Å; F68-Y76 AromaticContact CZ-CG 3.49Å; F68-Y76 HydrophobicContact CZ-CG 3.49Å; F68-Y76 VanDerWaalsContact CZ-CG 3.49Å; F68-Y76 PolarHBondContact N-O 3.49Å; F68-Y76 PolarHBondContact O-N 3Å; F68-L78 HydrophobicContact CD1-CD1 3.71Å; F68-L78 HydrophobicContact CE1-CD1 3.53Å
69T89Confident79.2Confident89 Ų8982.3 Ų82.355%0.54644%0.437SS..EExtended strand (participates in β ladder)trans-116.9133.1175-54.60000109.4H74 I75T69-H74 CarbonylContact C-O 3.59Å; T69-H74 WeakPolarHBondContact CA-O 2.86Å; T69-I75 HydrophobicContact CG2-CG1 4.38Å
70T86.4Confident80Confident42 Ų4282.9 Ų82.926%0.25843%0.433SS..  trans-83.5169178.462.50000112F68 N72 N73 H74 Y76F68-T70 HydrophobicContact CD2-CG2 4.3Å; F68-T70 HydrophobicContact CE2-CG2 4Å; T70-N72 PolarHBondContact O-N 3.19Å; T70-N73 WeakPolarHBondContact O-CA 3.33Å; T70-N73 PolarHBondContact O-N 3.23Å; T70-H74 PolarHBondContact N-O 3.19Å; T70-H74 VanDerWaalsContact OG1-CB 3.31Å; T70-H74 WeakPolarHBondContact OG1-CB 3.28Å; T70-H74 PolarHBondContact OG1-N 3.16Å; T70-H74 VanDerWaalsContact OG1-N 3.16Å; T70-H74 PolarHBondContact OG1-O 3.04Å; T70-Y76 HydrophobicContact CG2-CD2 3.81Å; T70-Y76 HydrophobicContact CG2-CE2 3.51Å
71E83.1Confident80.9Confident196 Ų19679.1 Ų79.192%0.91641%0.408SS*.THydrogen-bonded Turntrans-58.6-27.2176.5-62-179.2175.400113.4N73E71-N73 PolarHBondContact O-N 3.24Å
72N81.7Confident82Confident111 Ų11179.6 Ų79.659%0.59441%0.411SS*.THydrogen-bonded Turntrans-84.214.7176.1-63.4-29.8000112.9T70 H74T70-N72 PolarHBondContact O-N 3.19Å; N72-H74 PolarHBondContact O-CD2 3.34Å; N72-H74 VanDerWaalsContact O-CD2 3.32Å; N72-H74 PolarHBondContact O-N 3.06Å; N72-H74 VanDerWaalsContact O-N 3.14Å
73N84.2Confident83.4Confident128 Ų12873 Ų7368%0.68438%0.38SS*.  trans57.718.7-172.9-72.5-8.4000115T70 E71T70-N73 WeakPolarHBondContact O-CA 3.33Å; T70-N73 PolarHBondContact O-N 3.23Å; E71-N73 PolarHBondContact O-N 3.24Å
74H88.9Confident85.1Confident23 Ų2366.1 Ų66.111%0.10634%0.344CS..  trans-75.4129.6170.3-56.7177.8000109.8M1 T69 T70 N72 Y76 N90 G91M1-H74 WeakPolarHBondContact CE-NE2 3.49Å; T69-H74 CarbonylContact C-O 3.59Å; T69-H74 WeakPolarHBondContact CA-O 2.86Å; T70-H74 PolarHBondContact N-O 3.19Å; T70-H74 VanDerWaalsContact OG1-CB 3.31Å; T70-H74 WeakPolarHBondContact OG1-CB 3.28Å; T70-H74 PolarHBondContact OG1-N 3.16Å; T70-H74 VanDerWaalsContact OG1-N 3.16Å; T70-H74 PolarHBondContact OG1-O 3.04Å; N72-H74 PolarHBondContact O-CD2 3.34Å; N72-H74 VanDerWaalsContact O-CD2 3.32Å; N72-H74 PolarHBondContact O-N 3.06Å; N72-H74 VanDerWaalsContact O-N 3.14Å; H74-Y76 HydrophobicContact CB-CD2 4.42Å; H74-Y76 HydrophobicContact CB-CE2 3.84Å; H74-N90 CarbonylContact C-O 3.59Å; H74-N90 WeakPolarHBondContact CA-O 3.39Å; H74-G91 VanDerWaalsContact CD2-CA 3.42Å; H74-G91 WeakPolarHBondContact CD2-CA 3.26Å
75I91.8Very high86.9Confident36 Ų3661.3 Ų61.319%0.18531%0.31CS..EExtended strand (participates in β ladder)trans-93.5127.8177.5-56.7173.4000108.4T69 V77 V89 N90 L100T69-I75 HydrophobicContact CG2-CG1 4.38Å; I75-V77 HydrophobicContact CG2-CG2 4.17Å; I75-V89 CarbonylContact O-C 3.58Å; I75-V89 VanDerWaalsContact O-CA 3.31Å; I75-V89 WeakPolarHBondContact O-CA 3.31Å; I75-N90 PolarHBondContact N-O 2.86Å; I75-N90 PolarHBondContact O-N 2.97Å; I75-L100 HydrophobicContact CB-CD1 4.19Å; I75-L100 HydrophobicContact CG2-CD1 3.89Å
76Y92.7Very high88.4Confident24 Ų2454.7 Ų54.79%0.09428%0.284CS..EExtended strand (participates in β ladder)trans-111.5130.4172.3-72.8-110.1000108.2F51 I54 S67 F68 T70 H74 I87 A88 V89F51-Y76 HydrophobicContact CE1-CD1 4.23Å; F51-Y76 AromaticContact CE1-CE1 3.8Å; F51-Y76 HydrophobicContact CE1-CE1 3.8Å; F51-Y76 HydrophobicContact CZ-CE1 4.24Å; I54-Y76 HydrophobicContact CD1-CD1 4.37Å; I54-Y76 HydrophobicContact CD1-CE1 4.19Å; S67-Y76 CarbonylContact C-O 3.52Å; S67-Y76 WeakPolarHBondContact CA-O 3.09Å; S67-Y76 WeakPolarHBondContact CB-O 3.38Å; F68-Y76 HydrophobicContact CD2-CD2 4.2Å; F68-Y76 HydrophobicContact CD2-CG 4.26Å; F68-Y76 HydrophobicContact CE1-CG 4.21Å; F68-Y76 HydrophobicContact CE2-CD1 4.16Å; F68-Y76 AromaticContact CE2-CD2 3.59Å; F68-Y76 HydrophobicContact CE2-CD2 3.59Å; F68-Y76 HydrophobicContact CE2-CE2 4.31Å; F68-Y76 AromaticContact CE2-CG 3.52Å; F68-Y76 HydrophobicContact CE2-CG 3.52Å; F68-Y76 VanDerWaalsContact CZ-CB 3.46Å; F68-Y76 AromaticContact CZ-CD1 3.78Å; F68-Y76 HydrophobicContact CZ-CD1 3.78Å; F68-Y76 HydrophobicContact CZ-CD2 4.06Å; F68-Y76 AromaticContact CZ-CG 3.49Å; F68-Y76 HydrophobicContact CZ-CG 3.49Å; F68-Y76 VanDerWaalsContact CZ-CG 3.49Å; F68-Y76 PolarHBondContact N-O 3.49Å; F68-Y76 PolarHBondContact O-N 3Å; T70-Y76 HydrophobicContact CG2-CD2 3.81Å; T70-Y76 HydrophobicContact CG2-CE2 3.51Å; H74-Y76 HydrophobicContact CB-CD2 4.42Å; H74-Y76 HydrophobicContact CB-CE2 3.84Å; Y76-I87 HydrophobicContact CD1-CG2 4.47Å; Y76-A88 CarbonylContact C-O 3.58Å; Y76-A88 WeakPolarHBondContact CA-O 3.48Å; Y76-V89 HydrophobicContact CD1-CB 4.45Å; Y76-V89 HydrophobicContact CD1-CG1 4.3Å; Y76-V89 HydrophobicContact CD1-CG2 3.48Å; Y76-V89 VanDerWaalsContact CD1-CG2 3.48Å; Y76-V89 HydrophobicContact CD2-CG1 4.22Å; Y76-V89 HydrophobicContact CE1-CB 4.29Å; Y76-V89 HydrophobicContact CE1-CG1 3.9Å; Y76-V89 HydrophobicContact CE1-CG2 3.37Å; Y76-V89 HydrophobicContact CE2-CG1 3.79Å; Y76-V89 HydrophobicContact CG-CG1 4.44Å; Y76-V89 HydrophobicContact CG-CG2 4.2Å
77V93.4Very high89Confident1 Ų150.8 Ų50.81%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-120.9130.3173179.40000108.1T66 I75 I87 A88 E97 L100 R101 L104T66-V77 WeakPolarHBondContact O-CA 3.36Å; I75-V77 HydrophobicContact CG2-CG2 4.17Å; V77-I87 CarbonylContact O-C 3.18Å; V77-I87 WeakPolarHBondContact O-CA 3.38Å; V77-A88 HydrophobicContact CB-CB 4.44Å; V77-A88 PolarHBondContact N-O 3.33Å; V77-A88 PolarHBondContact O-N 2.99Å; V77-E97 HydrophobicContact CG2-CB 4.5Å; V77-E97 HydrophobicContact CG2-CG 3.75Å; V77-L100 HydrophobicContact CB-CB 4.12Å; V77-L100 HydrophobicContact CG2-CB 3.77Å; V77-L100 HydrophobicContact CG2-CD1 3.87Å; V77-L100 HydrophobicContact CG2-CG 4.48Å; V77-R101 HydrophobicContact CG1-CB 4.26Å; V77-L104 HydrophobicContact CG1-CD1 4.09Å
78L92.7Very high89.3Confident8 Ų849.3 Ų49.34%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-123.2131.6-177.3-5498.4000109.2I54 T66 F68 L85 Y86 I87I54-L78 HydrophobicContact CG2-CD2 3.45Å; I54-L78 VanDerWaalsContact CG2-CD2 3.45Å; T66-L78 WeakPolarHBondContact CA-O 3.39Å; T66-L78 PolarHBondContact O-N 3.22Å; T66-L78 VanDerWaalsContact O-O 3.14Å; F68-L78 HydrophobicContact CD1-CD1 3.71Å; F68-L78 HydrophobicContact CE1-CD1 3.53Å; L78-L85 HydrophobicContact CB-CD1 4.2Å; L78-L85 HydrophobicContact CD2-CD2 4.19Å; L78-Y86 CarbonylContact C-O 3.55Å; L78-Y86 WeakPolarHBondContact CA-O 3.36Å; L78-I87 HydrophobicContact CD2-CD1 4.22Å; L78-I87 HydrophobicContact CD2-CG1 4.15Å; L78-I87 HydrophobicContact CG-CG2 4.47Å
79H91.1Very high89.5Confident50 Ų5046.3 Ų46.323%0.23124%0.237CC..EExtended strand (participates in β ladder)trans-136.5118.5175-161.2-49.7000110.1F81 Y86 L104 Y105H79-F81 HydrophobicContact CB-CE2 3.96Å; H79-F81 HydrophobicContact CB-CZ 4.08Å; H79-F81 AromaticContact CD2-CZ 3.78Å; H79-F81 AromaticContact CE1-CD1 3.64Å; H79-F81 AromaticContact CE1-CE1 3.16Å; H79-F81 WeakPolarHBondContact CE1-CE1 3.35Å; H79-F81 AromaticContact CE1-CZ 3.68Å; H79-F81 AromaticContact CG-CE1 3.8Å; H79-F81 AromaticContact CG-CE2 3.83Å; H79-F81 AromaticContact CG-CZ 3.47Å; H79-F81 VanDerWaalsContact CG-CZ 3.47Å; H79-F81 AromaticContact ND1-CD1 3.52Å; H79-F81 AromaticContact ND1-CE1 3.23Å; H79-F81 WeakPolarHBondContact ND1-CE1 3.36Å; H79-F81 AromaticContact ND1-CE2 3.82Å; H79-F81 AromaticContact ND1-CG 3.95Å; H79-F81 AromaticContact ND1-CZ 3.39Å; H79-F81 WeakPolarHBondContact ND1-CZ 3.32Å; H79-F81 AromaticContact NE2-CE1 3.67Å; H79-F81 AromaticContact NE2-CZ 3.9Å; H79-Y86 PolarHBondContact N-O 3.44Å; H79-Y86 WeakPolarHBondContact O-CB 3.43Å; H79-Y86 PolarHBondContact O-N 2.65Å; H79-L104 HydrophobicContact CB-CD1 3.91Å; H79-Y105 AromaticContact CD2-CZ 3.85Å; H79-Y105 AromaticContact NE2-CZ 3.53Å; H79-Y105 PolarHBondContact NE2-OH 3.3Å
80Q88.6Confident89.7Confident76 Ų7642.1 Ų42.136%0.35521%0.211SC..EExtended strand (participates in β ladder)trans-77.2123.9171.5-172.767.723.100109D82 E83 C84 L85Q80-D82 PolarHBondContact NE2-O 3.42Å; Q80-E83 VanDerWaalsContact NE2-C 3.33Å; Q80-C84 VanDerWaalsContact NE2-N 3.19Å; Q80-C84 PolarHBondContact NE2-O 3.12Å; Q80-L85 HydrophobicContact CB-CD1 4.47Å
81F87.8Confident89.7Confident19 Ų1941 Ų418%0.08321%0.208CC..EExtended strand (participates in β ladder)trans-119.9112.2170.1-66.2-61.7000108.2H79 E83 C84 Y86 Y105 K108H79-F81 HydrophobicContact CB-CE2 3.96Å; H79-F81 HydrophobicContact CB-CZ 4.08Å; H79-F81 AromaticContact CD2-CZ 3.78Å; H79-F81 AromaticContact CE1-CD1 3.64Å; H79-F81 AromaticContact CE1-CE1 3.16Å; H79-F81 WeakPolarHBondContact CE1-CE1 3.35Å; H79-F81 AromaticContact CE1-CZ 3.68Å; H79-F81 AromaticContact CG-CE1 3.8Å; H79-F81 AromaticContact CG-CE2 3.83Å; H79-F81 AromaticContact CG-CZ 3.47Å; H79-F81 VanDerWaalsContact CG-CZ 3.47Å; H79-F81 AromaticContact ND1-CD1 3.52Å; H79-F81 AromaticContact ND1-CE1 3.23Å; H79-F81 WeakPolarHBondContact ND1-CE1 3.36Å; H79-F81 AromaticContact ND1-CE2 3.82Å; H79-F81 AromaticContact ND1-CG 3.95Å; H79-F81 AromaticContact ND1-CZ 3.39Å; H79-F81 WeakPolarHBondContact ND1-CZ 3.32Å; H79-F81 AromaticContact NE2-CE1 3.67Å; H79-F81 AromaticContact NE2-CZ 3.9Å; F81-E83 PolarHBondContact O-N 3.38Å; F81-E83 VanDerWaalsContact O-N 3.16Å; F81-C84 PolarHBondContact N-O 3.06Å; F81-C84 PolarHBondContact O-N 2.99Å; F81-C84 VanDerWaalsContact O-O 3.09Å; F81-Y86 HydrophobicContact CB-CD2 4.27Å; F81-Y86 HydrophobicContact CB-CE2 4.08Å; F81-Y86 HydrophobicContact CD2-CD1 4.08Å; F81-Y86 AromaticContact CD2-CD2 3.5Å; F81-Y86 HydrophobicContact CD2-CD2 3.5Å; F81-Y86 HydrophobicContact CD2-CE1 4.36Å; F81-Y86 AromaticContact CD2-CE2 3.83Å; F81-Y86 HydrophobicContact CD2-CE2 3.83Å; F81-Y86 AromaticContact CD2-CG 3.64Å; F81-Y86 HydrophobicContact CD2-CG 3.64Å; F81-Y86 HydrophobicContact CE2-CD1 4.27Å; F81-Y86 HydrophobicContact CE2-CD2 4.37Å; F81-Y86 HydrophobicContact CE2-CG 4.05Å; F81-Y86 HydrophobicContact CG-CD2 4.37Å; F81-Y86 HydrophobicContact CG-CE2 4.45Å; F81-Y105 AromaticContact CE1-CD1 3.97Å; F81-Y105 HydrophobicContact CE1-CD1 3.97Å; F81-Y105 AromaticContact CE1-CE1 3.52Å; F81-Y105 HydrophobicContact CE1-CE1 3.52Å; F81-Y105 AromaticContact CZ-CD1 3.66Å; F81-Y105 HydrophobicContact CZ-CD1 3.66Å; F81-Y105 AromaticContact CZ-CE1 3.56Å; F81-Y105 HydrophobicContact CZ-CE1 3.56Å; F81-Y105 HydrophobicContact CZ-CG 4.3Å; F81-K108 HydrophobicContact CB-CD 4.38Å; F81-K108 HydrophobicContact CD1-CD 3.42Å; F81-K108 VanDerWaalsContact CD1-CD 3.42Å; F81-K108 HydrophobicContact CD2-CB 4.29Å; F81-K108 HydrophobicContact CD2-CD 3.86Å; F81-K108 HydrophobicContact CD2-CG 4.37Å; F81-K108 HydrophobicContact CE1-CD 3.44Å; F81-K108 VanDerWaalsContact CE1-CD 3.44Å; F81-K108 HydrophobicContact CE2-CB 4.11Å; F81-K108 HydrophobicContact CE2-CD 3.9Å; F81-K108 HydrophobicContact CG-CD 3.63Å; F81-K108 HydrophobicContact CG-CG 4.43Å; F81-K108 HydrophobicContact CZ-CB 4.46Å; F81-K108 HydrophobicContact CZ-CD 3.69Å
82D84.4Confident89.8Confident101 Ų10134.5 Ų34.554%0.5418%0.179SC..THydrogen-bonded Turntrans51.1-118.4-173-57.7-57.8000110.9Q80Q80-D82 PolarHBondContact NE2-O 3.42Å
83E84Confident89.8Confident53 Ų5332.1 Ų32.125%0.24818%0.181CC..THydrogen-bonded Turntrans-96.913.6-179.1-60.2177.416600112.7E9 Q80 F81 G122E9-E83 WeakPolarHBondContact CG-O 3.27Å; Q80-E83 VanDerWaalsContact NE2-C 3.33Å; F81-E83 PolarHBondContact O-N 3.38Å; F81-E83 VanDerWaalsContact O-N 3.16Å; E83-G122 WeakPolarHBondContact OE2-CA 3.36Å; E83-G122 PolarHBondContact OE2-N 2.81Å
84C90.3Very high89.9Confident3 Ų332.8 Ų32.82%0.0218%0.18CC..EExtended strand (participates in β ladder)trans-126.2138.9-179-70.20000112.4I6 A7 Q80 F81 Y86I6-C84 HydrophobicContact CG2-CB 4.27Å; A7-C84 CarbonylContact O-C 3.59Å; A7-C84 WeakPolarHBondContact O-CA 3.45Å; Q80-C84 VanDerWaalsContact NE2-N 3.19Å; Q80-C84 PolarHBondContact NE2-O 3.12Å; F81-C84 PolarHBondContact N-O 3.06Å; F81-C84 PolarHBondContact O-N 2.99Å; F81-C84 VanDerWaalsContact O-O 3.09Å; C84-Y86 HydrophobicContact CB-CD2 4.42Å; C84-Y86 HydrophobicContact CB-CE2 3.94Å
85L91.8Very high89.9Confident4 Ų432.3 Ų32.32%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-98125.3177.2-174.461.8000110.3A7 I55 C58 L78 Q80 I87A7-L85 PolarHBondContact N-O 2.92Å; A7-L85 PolarHBondContact O-N 3.47Å; I55-L85 HydrophobicContact CB-CD2 4.31Å; I55-L85 HydrophobicContact CG1-CD2 4.12Å; I55-L85 HydrophobicContact CG2-CD2 4.22Å; C58-L85 HydrophobicContact CB-CD2 3.83Å; L78-L85 HydrophobicContact CB-CD1 4.2Å; L78-L85 HydrophobicContact CD2-CD2 4.19Å; Q80-L85 HydrophobicContact CB-CD1 4.47Å; L85-I87 HydrophobicContact CD2-CD1 4.03Å; L85-I87 HydrophobicContact CD2-CG1 4.22Å; L85-I87 HydrophobicContact CG-CD1 4.33Å; L85-I87 HydrophobicContact CG-CG1 4Å
86Y94.2Very high89.8Confident6 Ų637.9 Ų37.92%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-104.8128.8177.1-75.2-124.4000108.6L5 I6 L78 H79 F81 C84 L107 K108L5-Y86 WeakPolarHBondContact O-CA 3.14Å; I6-Y86 HydrophobicContact CD1-CD1 4.23Å; I6-Y86 HydrophobicContact CD1-CE1 3.57Å; I6-Y86 HydrophobicContact CG1-CD1 3.86Å; I6-Y86 HydrophobicContact CG1-CE1 3.71Å; I6-Y86 HydrophobicContact CG1-CE2 4.43Å; I6-Y86 HydrophobicContact CG1-CG 4.29Å; I6-Y86 HydrophobicContact CG2-CD2 4.22Å; I6-Y86 HydrophobicContact CG2-CE2 3.87Å; L78-Y86 CarbonylContact C-O 3.55Å; L78-Y86 WeakPolarHBondContact CA-O 3.36Å; H79-Y86 PolarHBondContact N-O 3.44Å; H79-Y86 WeakPolarHBondContact O-CB 3.43Å; H79-Y86 PolarHBondContact O-N 2.65Å; F81-Y86 HydrophobicContact CB-CD2 4.27Å; F81-Y86 HydrophobicContact CB-CE2 4.08Å; F81-Y86 HydrophobicContact CD2-CD1 4.08Å; F81-Y86 AromaticContact CD2-CD2 3.5Å; F81-Y86 HydrophobicContact CD2-CD2 3.5Å; F81-Y86 HydrophobicContact CD2-CE1 4.36Å; F81-Y86 AromaticContact CD2-CE2 3.83Å; F81-Y86 HydrophobicContact CD2-CE2 3.83Å; F81-Y86 AromaticContact CD2-CG 3.64Å; F81-Y86 HydrophobicContact CD2-CG 3.64Å; F81-Y86 HydrophobicContact CE2-CD1 4.27Å; F81-Y86 HydrophobicContact CE2-CD2 4.37Å; F81-Y86 HydrophobicContact CE2-CG 4.05Å; F81-Y86 HydrophobicContact CG-CD2 4.37Å; F81-Y86 HydrophobicContact CG-CE2 4.45Å; C84-Y86 HydrophobicContact CB-CD2 4.42Å; C84-Y86 HydrophobicContact CB-CE2 3.94Å; Y86-L107 HydrophobicContact CD1-CD2 4.06Å; Y86-L107 HydrophobicContact CD1-CG 4.2Å; Y86-L107 HydrophobicContact CE1-CD2 4.25Å; Y86-L107 HydrophobicContact CE1-CG 3.97Å; Y86-K108 HydrophobicContact CE1-CB 4.25Å
87I94.3Very high89.8Confident1 Ų140.1 Ų40.11%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-125.8130-174.5-50.6179.5000109.2L4 L5 F51 I55 Y76 V77 L78 L85 V89L4-I87 CarbonylContact C-O 3.45Å; L4-I87 WeakPolarHBondContact CA-O 3.43Å; L5-I87 HydrophobicContact CB-CB 4.4Å; L5-I87 HydrophobicContact CD2-CD1 4.17Å; L5-I87 PolarHBondContact N-O 2.71Å; L5-I87 PolarHBondContact O-N 2.92Å; F51-I87 HydrophobicContact CD1-CD1 3.84Å; F51-I87 HydrophobicContact CD1-CG2 4.31Å; F51-I87 HydrophobicContact CE1-CD1 4.39Å; F51-I87 HydrophobicContact CE1-CG2 3.81Å; I55-I87 HydrophobicContact CG1-CD1 4.01Å; Y76-I87 HydrophobicContact CD1-CG2 4.47Å; V77-I87 CarbonylContact O-C 3.18Å; V77-I87 WeakPolarHBondContact O-CA 3.38Å; L78-I87 HydrophobicContact CD2-CD1 4.22Å; L78-I87 HydrophobicContact CD2-CG1 4.15Å; L78-I87 HydrophobicContact CG-CG2 4.47Å; L85-I87 HydrophobicContact CD2-CD1 4.03Å; L85-I87 HydrophobicContact CD2-CG1 4.22Å; L85-I87 HydrophobicContact CG-CD1 4.33Å; L85-I87 HydrophobicContact CG-CG1 4Å; I87-V89 HydrophobicContact CG2-CG2 4.27Å
88A94.9Very high89.6Confident0 Ų045.5 Ų45.50%024%0.241CC..EExtended strand (participates in β ladder)trans-119.3136.4171.300000109.7C3 L4 Y76 V77 L100 L104C3-A88 CarbonylContact O-C 3.6Å; C3-A88 WeakPolarHBondContact O-CA 3.3Å; L4-A88 HydrophobicContact CD2-CB 3.55Å; Y76-A88 CarbonylContact C-O 3.58Å; Y76-A88 WeakPolarHBondContact CA-O 3.48Å; V77-A88 HydrophobicContact CB-CB 4.44Å; V77-A88 PolarHBondContact N-O 3.33Å; V77-A88 PolarHBondContact O-N 2.99Å; A88-L100 HydrophobicContact CB-CB 3.9Å; A88-L100 HydrophobicContact CB-CD2 4.24Å; A88-L100 HydrophobicContact CB-CG 4.49Å; A88-L104 HydrophobicContact CB-CD1 4.28Å; A88-L104 HydrophobicContact CB-CD2 3.66Å; A88-L104 HydrophobicContact CB-CG 3.91Å
89V93.3Very high89.5Confident2 Ų247 Ų471%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-126.1130.1179-171.90000108.9K2 C3 Y22 F51 I75 Y76 I87K2-V89 WeakPolarHBondContact CA-O 3.42Å; C3-V89 HydrophobicContact CB-CB 4.12Å; C3-V89 HydrophobicContact CB-CG2 4.38Å; C3-V89 PolarHBondContact N-O 3.43Å; C3-V89 PolarHBondContact O-N 3.41Å; Y22-V89 HydrophobicContact CE2-CG1 4.37Å; F51-V89 HydrophobicContact CE1-CG2 4.05Å; F51-V89 HydrophobicContact CZ-CG2 3.86Å; I75-V89 CarbonylContact O-C 3.58Å; I75-V89 VanDerWaalsContact O-CA 3.31Å; I75-V89 WeakPolarHBondContact O-CA 3.31Å; Y76-V89 HydrophobicContact CD1-CB 4.45Å; Y76-V89 HydrophobicContact CD1-CG1 4.3Å; Y76-V89 HydrophobicContact CD1-CG2 3.48Å; Y76-V89 VanDerWaalsContact CD1-CG2 3.48Å; Y76-V89 HydrophobicContact CD2-CG1 4.22Å; Y76-V89 HydrophobicContact CE1-CB 4.29Å; Y76-V89 HydrophobicContact CE1-CG1 3.9Å; Y76-V89 HydrophobicContact CE1-CG2 3.37Å; Y76-V89 HydrophobicContact CE2-CG1 3.79Å; Y76-V89 HydrophobicContact CG-CG1 4.44Å; Y76-V89 HydrophobicContact CG-CG2 4.2Å; I87-V89 HydrophobicContact CG2-CG2 4.27Å
90N93.4Very high89.5Confident1 Ų144.7 Ų44.71%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-123.6131.8168.3-17033.2000111.3K2 H74 I75 D92 G93 E95 L100K2-N90 WeakPolarHBondContact CG-OD1 3.22Å; H74-N90 CarbonylContact C-O 3.59Å; H74-N90 WeakPolarHBondContact CA-O 3.39Å; I75-N90 PolarHBondContact N-O 2.86Å; I75-N90 PolarHBondContact O-N 2.97Å; N90-D92 PolarHBondContact ND2-OD1 3.38Å; N90-D92 VanDerWaalsContact OD1-CG 3.32Å; N90-D92 PolarHBondContact OD1-OD1 2.81Å; N90-D92 PolarHBondContact OD1-OD2 2.93Å; N90-G93 PolarHBondContact ND2-N 3.41Å; N90-E95 PolarHBondContact ND2-N 3.06Å; N90-E95 VanDerWaalsContact ND2-N 3.17Å; N90-E95 PolarHBondContact ND2-O 3.17Å; N90-L100 HydrophobicContact CB-CD1 3.75Å; N90-L100 HydrophobicContact CB-CD2 3.93Å; N90-L100 HydrophobicContact CB-CG 4.33Å
91G87.4Confident89.7Confident19 Ų1943.8 Ų43.820%0.19623%0.231CC..  trans-122.2-6.9-178.700000115.4M1 H74M1-G91 PolarHBondContact O-N 3.19Å; H74-G91 VanDerWaalsContact CD2-CA 3.42Å; H74-G91 WeakPolarHBondContact CD2-CA 3.26Å
92D85Confident89.8Confident59 Ų5947 Ų4732%0.31624%0.243SC..SBendtrans-96.6-11.6179.14946.7000114.1M1 K2 N90 E94M1-D92 PolarHBondContact N-OD2 2.88Å; K2-D92 WeakPolarHBondContact CE-OD2 3.49Å; K2-D92 IonicContact NZ-OD2 3.52Å; N90-D92 PolarHBondContact ND2-OD1 3.38Å; N90-D92 VanDerWaalsContact OD1-CG 3.32Å; N90-D92 PolarHBondContact OD1-OD1 2.81Å; N90-D92 PolarHBondContact OD1-OD2 2.93Å; D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 HydrophobicContact CB-CG 4.4Å; D92-E94 PolarHBondContact O-N 2.81Å; D92-E94 WeakPolarHBondContact OD1-CB 3.33Å; D92-E94 PolarHBondContact OD1-N 2.81Å
93G82.1Confident90.2Very high60 Ų6042.8 Ų42.862%0.61922%0.22SC*.SBendtrans77.74.8179.300000115.2N90N90-G93 PolarHBondContact ND2-N 3.41Å
94E85.6Confident90.7Very high143 Ų14340.3 Ų40.367%0.66821%0.208SC*.SBendtrans-71.5-35.1177.4-64-176.2154.400112.5K2 D92K2-E94 IonicContact NZ-OE2 3.58Å; K2-E94 PolarHBondContact NZ-OE2 2.81Å; D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 HydrophobicContact CB-CG 4.4Å; D92-E94 PolarHBondContact O-N 2.81Å; D92-E94 WeakPolarHBondContact OD1-CB 3.33Å; D92-E94 PolarHBondContact OD1-N 2.81Å
95E88.9Confident90.8Very high13 Ų1342.8 Ų42.86%0.06122%0.217CC..SBendtrans-106.6135.6-177.2-59-165.9109.300111.8N90 D99 L100 K103 R155N90-E95 PolarHBondContact ND2-N 3.06Å; N90-E95 VanDerWaalsContact ND2-N 3.17Å; N90-E95 PolarHBondContact ND2-O 3.17Å; E95-D99 HydrophobicContact CB-CB 4.04Å; E95-L100 HydrophobicContact CB-CD2 4.22Å; E95-K103 WeakPolarHBondContact OE1-CE 3.39Å; E95-K103 IonicContact OE1-NZ 2.76Å; E95-K103 PolarHBondContact OE1-NZ 2.79Å; E95-K103 IonicContact OE2-NZ 2.7Å; E95-K103 PolarHBondContact OE2-NZ 2.83Å; E95-R155 IonicContact OE1-NH1 3.38Å; E95-R155 PolarHBondContact OE1-NH1 2.89Å
96K90.7Very high90.9Very high153 Ų15342.9 Ų42.967%0.66522%0.218SC*.  trans-88.1170.5176.2-60.7178.7-176.6174.30111D98 D99 L100K96-D98 VanDerWaalsContact C-N 3.26Å; K96-D98 PolarHBondContact O-N 2.77Å; K96-D99 WeakPolarHBondContact CB-OD2 3.46Å; K96-D99 PolarHBondContact N-OD2 2.96Å; K96-D99 WeakPolarHBondContact O-CB 3.44Å; K96-D99 PolarHBondContact O-N 3.08Å; K96-L100 PolarHBondContact O-N 2.99Å; K96-L100 VanDerWaalsContact O-N 3.12Å
97E91Very high90.9Very high70 Ų7042.6 Ų42.633%0.32722%0.217SC..Hα-helixtrans-51.9-42.8177.1-170.8-175.7157.400113.3S67 V77 D99 L100 R101S67-E97 WeakPolarHBondContact CB-OE1 3.16Å; S67-E97 PolarHBondContact OG-OE1 2.84Å; S67-E97 PolarHBondContact OG-OE2 2.78Å; V77-E97 HydrophobicContact CG2-CB 4.5Å; V77-E97 HydrophobicContact CG2-CG 3.75Å; E97-D99 VanDerWaalsContact C-N 3.34Å; E97-D99 PolarHBondContact O-N 3.03Å; E97-L100 PolarHBondContact O-N 2.84Å; E97-R101 WeakPolarHBondContact O-CB 3.29Å; E97-R101 PolarHBondContact O-N 2.77Å; E97-R101 IonicContact OE1-CZ 2.64Å; E97-R101 IonicContact OE1-NH1 2.73Å; E97-R101 IonicContact OE1-NH2 3.39Å; E97-R101 PolarHBondContact OE1-NH2 2.85Å
98D89.9Confident90.9Very high115 Ų11544.5 Ų44.562%0.61523%0.225SC*.Hα-helixtrans-66.9-34.5179-70.9-30.9000112.8K96 R101 R102K96-D98 VanDerWaalsContact C-N 3.26Å; K96-D98 PolarHBondContact O-N 2.77Å; D98-R101 PolarHBondContact O-N 3.31Å; D98-R101 IonicContact OD1-NH1 3.97Å; D98-R101 PolarHBondContact OD1-NH1 3.3Å; D98-R102 VanDerWaalsContact O-CB 3.3Å; D98-R102 WeakPolarHBondContact O-CB 3.37Å; D98-R102 PolarHBondContact O-N 2.79Å
99D90.2Very high90.9Very high38 Ų3845.8 Ų45.820%0.20323%0.231CC..Hα-helixtrans-65.9-42.9176.1-59.8-54.6000110.7E95 K96 E97 R102 K103 R155E95-D99 HydrophobicContact CB-CB 4.04Å; K96-D99 WeakPolarHBondContact CB-OD2 3.46Å; K96-D99 PolarHBondContact N-OD2 2.96Å; K96-D99 WeakPolarHBondContact O-CB 3.44Å; K96-D99 PolarHBondContact O-N 3.08Å; E97-D99 VanDerWaalsContact C-N 3.34Å; E97-D99 PolarHBondContact O-N 3.03Å; D99-R102 PolarHBondContact O-N 2.94Å; D99-K103 PolarHBondContact O-N 2.81Å; D99-R155 IonicContact OD1-CZ 3.43Å; D99-R155 IonicContact OD1-NH2 2.61Å; D99-R155 PolarHBondContact OD1-NH2 2.86Å
100L92.4Very high91Very high2 Ų246 Ų461%0.0123%0.232CC..Hα-helixtrans-66.7-43.7176.9-62.8177.8000111.8I75 V77 A88 N90 E95 K96 E97 R102 K103 L104I75-L100 HydrophobicContact CB-CD1 4.19Å; I75-L100 HydrophobicContact CG2-CD1 3.89Å; V77-L100 HydrophobicContact CB-CB 4.12Å; V77-L100 HydrophobicContact CG2-CB 3.77Å; V77-L100 HydrophobicContact CG2-CD1 3.87Å; V77-L100 HydrophobicContact CG2-CG 4.48Å; A88-L100 HydrophobicContact CB-CB 3.9Å; A88-L100 HydrophobicContact CB-CD2 4.24Å; A88-L100 HydrophobicContact CB-CG 4.49Å; N90-L100 HydrophobicContact CB-CD1 3.75Å; N90-L100 HydrophobicContact CB-CD2 3.93Å; N90-L100 HydrophobicContact CB-CG 4.33Å; E95-L100 HydrophobicContact CB-CD2 4.22Å; K96-L100 PolarHBondContact O-N 2.99Å; K96-L100 VanDerWaalsContact O-N 3.12Å; E97-L100 PolarHBondContact O-N 2.84Å; L100-R102 VanDerWaalsContact C-N 3.29Å; L100-R102 PolarHBondContact O-N 2.84Å; L100-K103 WeakPolarHBondContact O-CB 3.14Å; L100-K103 PolarHBondContact O-N 2.93Å; L100-L104 WeakPolarHBondContact O-CG 3.43Å; L100-L104 PolarHBondContact O-N 2.82Å
101R92.4Very high91.1Very high58 Ų5846 Ų4622%0.21923%0.232CC..Hα-helixtrans-58.3-44.4174.5-176177.1-68111.42.8110.9V77 E97 D98 L104 Y105V77-R101 HydrophobicContact CG1-CB 4.26Å; E97-R101 WeakPolarHBondContact O-CB 3.29Å; E97-R101 PolarHBondContact O-N 2.77Å; E97-R101 IonicContact OE1-CZ 2.64Å; E97-R101 IonicContact OE1-NH1 2.73Å; E97-R101 IonicContact OE1-NH2 3.39Å; E97-R101 PolarHBondContact OE1-NH2 2.85Å; D98-R101 PolarHBondContact O-N 3.31Å; D98-R101 IonicContact OD1-NH1 3.97Å; D98-R101 PolarHBondContact OD1-NH1 3.3Å; R101-L104 WeakPolarHBondContact O-CB 3.3Å; R101-L104 PolarHBondContact O-N 2.93Å; R101-Y105 HydrophobicContact CG-CD2 4.03Å; R101-Y105 HydrophobicContact CG-CE2 3.68Å; R101-Y105 WeakPolarHBondContact O-CD2 3.44Å; R101-Y105 PolarHBondContact O-N 2.93Å; R101-Y105 VanDerWaalsContact O-N 3.12Å
102R90.1Very high91.4Very high87 Ų8746.9 Ų46.933%0.32823%0.231SC..Hα-helixtrans-61.1-43.6175.4178.2170.1-88.8171.2-14111.9D98 D99 L100 L104 Y105 V106 E164D98-R102 VanDerWaalsContact O-CB 3.3Å; D98-R102 WeakPolarHBondContact O-CB 3.37Å; D98-R102 PolarHBondContact O-N 2.79Å; D99-R102 PolarHBondContact O-N 2.94Å; L100-R102 VanDerWaalsContact C-N 3.29Å; L100-R102 PolarHBondContact O-N 2.84Å; R102-L104 VanDerWaalsContact C-N 3.32Å; R102-L104 PolarHBondContact O-N 3.24Å; R102-Y105 PolarHBondContact O-N 2.92Å; R102-Y105 VanDerWaalsContact O-N 3.17Å; R102-V106 WeakPolarHBondContact O-CG2 3.5Å; R102-V106 PolarHBondContact O-N 3.04Å; R102-E164 WeakPolarHBondContact CD-OE1 3.34Å; R102-E164 WeakPolarHBondContact CG-OE1 3.45Å; R102-E164 VanDerWaalsContact CZ-CD 3.5Å; R102-E164 IonicContact CZ-OE1 2.75Å; R102-E164 IonicContact CZ-OE2 3.58Å; R102-E164 VanDerWaalsContact NE-CD 3.27Å; R102-E164 IonicContact NE-OE1 3.07Å; R102-E164 PolarHBondContact NE-OE1 3.24Å; R102-E164 IonicContact NE-OE2 3.22Å; R102-E164 PolarHBondContact NE-OE2 2.74Å; R102-E164 VanDerWaalsContact NH2-CD 3.33Å; R102-E164 IonicContact NH2-OE1 3.97Å; R102-E164 IonicContact NH2-OE2 3.33Å; R102-E164 PolarHBondContact NH2-OE2 3.41Å
103K91.8Very high91.9Very high12 Ų1244.1 Ų44.15%0.05222%0.216CC..Hα-helixtrans-58.1-40.6173.2-78.1-177.6168.7-177.80112.8L4 E95 D99 L100 Y105 V106 L107 Y151L4-K103 HydrophobicContact CD2-CB 4.31Å; E95-K103 WeakPolarHBondContact OE1-CE 3.39Å; E95-K103 IonicContact OE1-NZ 2.76Å; E95-K103 PolarHBondContact OE1-NZ 2.79Å; E95-K103 IonicContact OE2-NZ 2.7Å; E95-K103 PolarHBondContact OE2-NZ 2.83Å; D99-K103 PolarHBondContact O-N 2.81Å; L100-K103 WeakPolarHBondContact O-CB 3.14Å; L100-K103 PolarHBondContact O-N 2.93Å; K103-Y105 VanDerWaalsContact C-N 3.35Å; K103-Y105 PolarHBondContact O-N 3.46Å; K103-V106 PolarHBondContact O-N 3.47Å; K103-L107 WeakPolarHBondContact O-CB 3.27Å; K103-L107 PolarHBondContact O-N 3.4Å; K103-Y151 HydrophobicContact CG-CE1 4.33Å
104L94.1Very high92.4Very high0 Ų042.3 Ų42.30%019%0.192CC..Hα-helixtrans-62.2-41.9175.5-65.7-172.2000112.2L4 V77 H79 A88 L100 R101 R102 L107 K108L4-L104 HydrophobicContact CD2-CD2 3.94Å; V77-L104 HydrophobicContact CG1-CD1 4.09Å; H79-L104 HydrophobicContact CB-CD1 3.91Å; A88-L104 HydrophobicContact CB-CD1 4.28Å; A88-L104 HydrophobicContact CB-CD2 3.66Å; A88-L104 HydrophobicContact CB-CG 3.91Å; L100-L104 WeakPolarHBondContact O-CG 3.43Å; L100-L104 PolarHBondContact O-N 2.82Å; R101-L104 WeakPolarHBondContact O-CB 3.3Å; R101-L104 PolarHBondContact O-N 2.93Å; R102-L104 VanDerWaalsContact C-N 3.32Å; R102-L104 PolarHBondContact O-N 3.24Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-K108 WeakPolarHBondContact O-CB 3.41Å; L104-K108 PolarHBondContact O-N 2.89Å
105Y93.3Very high92.7Very high56 Ų5636 Ų3622%0.2216%0.162CC..Hα-helixtrans-67-36.4175.7-79.9-69.3000113.1H79 F81 R101 R102 K103 K108 K109 F516H79-Y105 AromaticContact CD2-CZ 3.85Å; H79-Y105 AromaticContact NE2-CZ 3.53Å; H79-Y105 PolarHBondContact NE2-OH 3.3Å; F81-Y105 AromaticContact CE1-CD1 3.97Å; F81-Y105 HydrophobicContact CE1-CD1 3.97Å; F81-Y105 AromaticContact CE1-CE1 3.52Å; F81-Y105 HydrophobicContact CE1-CE1 3.52Å; F81-Y105 AromaticContact CZ-CD1 3.66Å; F81-Y105 HydrophobicContact CZ-CD1 3.66Å; F81-Y105 AromaticContact CZ-CE1 3.56Å; F81-Y105 HydrophobicContact CZ-CE1 3.56Å; F81-Y105 HydrophobicContact CZ-CG 4.3Å; R101-Y105 HydrophobicContact CG-CD2 4.03Å; R101-Y105 HydrophobicContact CG-CE2 3.68Å; R101-Y105 WeakPolarHBondContact O-CD2 3.44Å; R101-Y105 PolarHBondContact O-N 2.93Å; R101-Y105 VanDerWaalsContact O-N 3.12Å; R102-Y105 PolarHBondContact O-N 2.92Å; R102-Y105 VanDerWaalsContact O-N 3.17Å; K103-Y105 VanDerWaalsContact C-N 3.35Å; K103-Y105 PolarHBondContact O-N 3.46Å; Y105-K108 PolarHBondContact O-N 2.96Å; Y105-K109 WeakPolarHBondContact O-CB 3.37Å; Y105-K109 PolarHBondContact O-N 2.89Å; Y105-F516 AromaticContact CD1-CD1 3.75Å; Y105-F516 HydrophobicContact CD1-CD1 3.75Å; Y105-F516 AromaticContact CD1-CE1 3.56Å; Y105-F516 HydrophobicContact CD1-CE1 3.56Å; Y105-F516 HydrophobicContact CD1-CG 4.41Å; Y105-F516 HydrophobicContact CD1-CZ 4.08Å; Y105-F516 HydrophobicContact CE1-CD1 4.2Å; Y105-F516 HydrophobicContact CE1-CE1 4.34Å; Y105-F516 HydrophobicContact CG-CD1 4.07Å; Y105-F516 HydrophobicContact CG-CD2 4.32Å; Y105-F516 AromaticContact CG-CE1 3.97Å; Y105-F516 HydrophobicContact CG-CE1 3.97Å; Y105-F516 HydrophobicContact CG-CE2 4.24Å; Y105-F516 HydrophobicContact CG-CG 4.29Å; Y105-F516 HydrophobicContact CG-CZ 4.1Å
106V93.2Very high93Very high5 Ų535.4 Ų35.43%0.0316%0.159CC..Hα-helixtrans-64.8-45.4173.6171.30000110.6R102 K103 K108 K109 M110 Y151 F515R102-V106 WeakPolarHBondContact O-CG2 3.5Å; R102-V106 PolarHBondContact O-N 3.04Å; K103-V106 PolarHBondContact O-N 3.47Å; V106-K108 PolarHBondContact O-N 3.48Å; V106-K109 PolarHBondContact O-N 3.44Å; V106-K109 VanDerWaalsContact O-N 3.16Å; V106-M110 HydrophobicContact CG1-CE 4.18Å; V106-M110 HydrophobicContact CG1-CG 4.5Å; V106-M110 WeakPolarHBondContact O-CG 3.47Å; V106-M110 PolarHBondContact O-N 3.41Å; V106-Y151 HydrophobicContact CB-CE1 4.36Å; V106-Y151 HydrophobicContact CG1-CD1 3.99Å; V106-Y151 HydrophobicContact CG1-CD2 3.9Å; V106-Y151 HydrophobicContact CG1-CE1 4.12Å; V106-Y151 HydrophobicContact CG1-CE2 4.04Å; V106-Y151 HydrophobicContact CG1-CG 3.87Å; V106-Y151 HydrophobicContact CG2-CE1 4.2Å; V106-Y151 HydrophobicContact CG2-CE2 3.93Å; V106-F515 HydrophobicContact CG2-CE1 4.4Å
107L95.4Very high93.1Very high0 Ų028.1 Ų28.10%013%0.128CC..Hα-helixtrans-58.6-47.3174.6177.254.1000111.1I6 F15 Y86 K103 L104 K109 M110 V111 L148I6-L107 HydrophobicContact CD1-CD1 4.26Å; I6-L107 HydrophobicContact CD1-CD2 3.98Å; I6-L107 HydrophobicContact CD1-CG 4.08Å; I6-L107 HydrophobicContact CG1-CD2 3.9Å; F15-L107 HydrophobicContact CD1-CD1 4.36Å; F15-L107 HydrophobicContact CD1-CD2 4.35Å; F15-L107 HydrophobicContact CE1-CD1 4.03Å; F15-L107 HydrophobicContact CE1-CD2 4.28Å; Y86-L107 HydrophobicContact CD1-CD2 4.06Å; Y86-L107 HydrophobicContact CD1-CG 4.2Å; Y86-L107 HydrophobicContact CE1-CD2 4.25Å; Y86-L107 HydrophobicContact CE1-CG 3.97Å; K103-L107 WeakPolarHBondContact O-CB 3.27Å; K103-L107 PolarHBondContact O-N 3.4Å; L104-L107 PolarHBondContact O-N 2.91Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-K109 PolarHBondContact O-N 3.23Å; L107-M110 PolarHBondContact O-N 2.9Å; L107-V111 HydrophobicContact CD1-CG2 4.22Å; L107-V111 VanDerWaalsContact O-CG2 3.32Å; L107-V111 WeakPolarHBondContact O-CG2 3.47Å; L107-V111 PolarHBondContact O-N 2.71Å; L107-L148 HydrophobicContact CB-CD2 4.25Å; L107-L148 HydrophobicContact CD1-CD1 4.13Å; L107-L148 HydrophobicContact CD1-CD2 4.19Å; L107-L148 HydrophobicContact CD1-CG 4.46Å
108K94.8Very high93.1Very high42 Ų4224.8 Ų24.818%0.18311%0.112CC..Hα-helixtrans-54.1-50.7172.7178.3-176.6-169.6-81.80110.9F81 Y86 L104 Y105 V106 M110 V111 E112F81-K108 HydrophobicContact CB-CD 4.38Å; F81-K108 HydrophobicContact CD1-CD 3.42Å; F81-K108 VanDerWaalsContact CD1-CD 3.42Å; F81-K108 HydrophobicContact CD2-CB 4.29Å; F81-K108 HydrophobicContact CD2-CD 3.86Å; F81-K108 HydrophobicContact CD2-CG 4.37Å; F81-K108 HydrophobicContact CE1-CD 3.44Å; F81-K108 VanDerWaalsContact CE1-CD 3.44Å; F81-K108 HydrophobicContact CE2-CB 4.11Å; F81-K108 HydrophobicContact CE2-CD 3.9Å; F81-K108 HydrophobicContact CG-CD 3.63Å; F81-K108 HydrophobicContact CG-CG 4.43Å; F81-K108 HydrophobicContact CZ-CB 4.46Å; F81-K108 HydrophobicContact CZ-CD 3.69Å; Y86-K108 HydrophobicContact CE1-CB 4.25Å; L104-K108 WeakPolarHBondContact O-CB 3.41Å; L104-K108 PolarHBondContact O-N 2.89Å; Y105-K108 PolarHBondContact O-N 2.96Å; V106-K108 PolarHBondContact O-N 3.48Å; K108-M110 VanDerWaalsContact C-N 3.32Å; K108-M110 PolarHBondContact O-N 2.68Å; K108-V111 WeakPolarHBondContact O-CB 3.45Å; K108-V111 PolarHBondContact O-N 2.84Å; K108-V111 VanDerWaalsContact O-N 3.13Å; K108-E112 HydrophobicContact CG-CG 4.31Å; K108-E112 IonicContact NZ-OE1 3.86Å; K108-E112 PolarHBondContact NZ-OE1 2.84Å; K108-E112 IonicContact NZ-OE2 3.88Å; K108-E112 WeakPolarHBondContact O-CG 3.38Å; K108-E112 PolarHBondContact O-N 2.75Å
109K94.4Very high93.3Very high26 Ų2619.8 Ų19.811%0.1139%0.086CC..Hα-helixtrans-59.6-41.6-179.3-177.260.6179179.40112Y105 V106 L107 E112 V113 D228 A231Y105-K109 WeakPolarHBondContact O-CB 3.37Å; Y105-K109 PolarHBondContact O-N 2.89Å; V106-K109 PolarHBondContact O-N 3.44Å; V106-K109 VanDerWaalsContact O-N 3.16Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-K109 PolarHBondContact O-N 3.23Å; K109-E112 PolarHBondContact O-N 3.04Å; K109-V113 HydrophobicContact CD-CG2 4.21Å; K109-V113 HydrophobicContact CG-CG2 4.44Å; K109-V113 VanDerWaalsContact O-CG2 3.27Å; K109-V113 WeakPolarHBondContact O-CG2 3.45Å; K109-V113 PolarHBondContact O-N 3.12Å; K109-D228 VanDerWaalsContact CE-OD1 3.28Å; K109-D228 WeakPolarHBondContact CE-OD1 2.92Å; K109-D228 IonicContact NZ-OD1 2.68Å; K109-D228 PolarHBondContact NZ-OD1 3.44Å; K109-A231 HydrophobicContact CG-CB 4.47Å
110M94.9Very high93.3Very high7 Ų720.6 Ų20.63%0.0349%0.09CC..Hα-helixtrans-62.2-43.9175.8-66.6-60.6166.800111.5V106 L107 K108 E112 V113 M114 A231 V234 M235V106-M110 HydrophobicContact CG1-CE 4.18Å; V106-M110 HydrophobicContact CG1-CG 4.5Å; V106-M110 WeakPolarHBondContact O-CG 3.47Å; V106-M110 PolarHBondContact O-N 3.41Å; L107-M110 PolarHBondContact O-N 2.9Å; K108-M110 VanDerWaalsContact C-N 3.32Å; K108-M110 PolarHBondContact O-N 2.68Å; M110-E112 PolarHBondContact O-N 2.73Å; M110-V113 PolarHBondContact O-N 3.29Å; M110-M114 WeakPolarHBondContact O-CB 3.42Å; M110-M114 VanDerWaalsContact O-CG 3.23Å; M110-M114 WeakPolarHBondContact O-CG 3.47Å; M110-M114 PolarHBondContact O-N 2.79Å; M110-A231 HydrophobicContact CE-CB 4.11Å; M110-A231 HydrophobicContact SD-CB 4.18Å; M110-V234 HydrophobicContact CE-CB 3.77Å; M110-V234 HydrophobicContact CE-CG1 3.85Å; M110-V234 HydrophobicContact CE-CG2 3.87Å; M110-M235 HydrophobicContact SD-CE 4.3Å
111V94.9Very high93.3Very high1 Ų120.6 Ų20.61%0.0069%0.09CC..Hα-helixtrans-61.2-43.6175.5171.60000110.8I6 L107 K108 M114 F115 T119 L125 L129 L144I6-V111 HydrophobicContact CD1-CG2 4.09Å; L107-V111 HydrophobicContact CD1-CG2 4.22Å; L107-V111 VanDerWaalsContact O-CG2 3.32Å; L107-V111 WeakPolarHBondContact O-CG2 3.47Å; L107-V111 PolarHBondContact O-N 2.71Å; K108-V111 WeakPolarHBondContact O-CB 3.45Å; K108-V111 PolarHBondContact O-N 2.84Å; K108-V111 VanDerWaalsContact O-N 3.13Å; V111-M114 PolarHBondContact O-N 3.34Å; V111-F115 HydrophobicContact CB-CD2 4.38Å; V111-F115 HydrophobicContact CG1-CD2 3.74Å; V111-F115 HydrophobicContact CG1-CE2 4.24Å; V111-F115 WeakPolarHBondContact O-CB 3.19Å; V111-F115 WeakPolarHBondContact O-CD2 3.48Å; V111-F115 PolarHBondContact O-N 3.47Å; V111-T119 HydrophobicContact CG1-CG2 3.85Å; V111-L125 HydrophobicContact CG1-CD1 3.8Å; V111-L129 HydrophobicContact CG2-CD2 4.46Å; V111-L144 HydrophobicContact CG2-CD2 4.36Å
112E94.8Very high93Very high38 Ų3818.3 Ų18.318%0.1788%0.084CC..Hα-helixtrans-63.1-43.5175.7-66.3-175.2150.100112.6K108 K109 M110 M114 G116 T119 M334K108-E112 HydrophobicContact CG-CG 4.31Å; K108-E112 IonicContact NZ-OE1 3.86Å; K108-E112 PolarHBondContact NZ-OE1 2.84Å; K108-E112 IonicContact NZ-OE2 3.88Å; K108-E112 WeakPolarHBondContact O-CG 3.38Å; K108-E112 PolarHBondContact O-N 2.75Å; K109-E112 PolarHBondContact O-N 3.04Å; M110-E112 PolarHBondContact O-N 2.73Å; E112-M114 VanDerWaalsContact C-N 3.25Å; E112-M114 PolarHBondContact O-N 2.92Å; E112-G116 VanDerWaalsContact O-CA 3.28Å; E112-G116 WeakPolarHBondContact O-CA 3.23Å; E112-G116 PolarHBondContact O-N 2.98Å; E112-T119 HydrophobicContact CG-CG2 4.43Å; E112-M334 HydrophobicContact CB-CE 3.54Å; E112-M334 VanDerWaalsContact CD-CE 3.46Å; E112-M334 HydrophobicContact CG-CE 3.26Å; E112-M334 WeakPolarHBondContact OE1-CE 3.44Å
113V94.8Very high92.9Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-67.3-29.2178.2176.30000111.2K109 M110 A231 M235 V321 F322 L323K109-V113 HydrophobicContact CD-CG2 4.21Å; K109-V113 HydrophobicContact CG-CG2 4.44Å; K109-V113 VanDerWaalsContact O-CG2 3.27Å; K109-V113 WeakPolarHBondContact O-CG2 3.45Å; K109-V113 PolarHBondContact O-N 3.12Å; M110-V113 PolarHBondContact O-N 3.29Å; V113-A231 HydrophobicContact CG2-CB 4.11Å; V113-M235 HydrophobicContact CB-CE 3.94Å; V113-M235 HydrophobicContact CG1-CE 3.46Å; V113-M235 VanDerWaalsContact CG1-CE 3.46Å; V113-M235 HydrophobicContact CG1-SD 4.04Å; V113-V321 HydrophobicContact CG1-CB 3.92Å; V113-V321 HydrophobicContact CG1-CG1 4.14Å; V113-V321 CarbonylContact O-C 3.43Å; V113-V321 WeakPolarHBondContact O-CA 3.27Å; V113-F322 WeakPolarHBondContact O-CD2 3.47Å; V113-F322 PolarHBondContact O-N 2.9Å; V113-L323 HydrophobicContact CG1-CD2 4.18Å; V113-L323 HydrophobicContact CG2-CD2 4.44Å
114M92.4Very high92.8Very high23 Ų2318.2 Ų18.211%0.1139%0.091CC..Hα-helixtrans-84.4-34.6179.1-73.9178.459.300114.4M110 V111 E112 L140 Y143 L144 L147 M235 F322 L462M110-M114 WeakPolarHBondContact O-CB 3.42Å; M110-M114 VanDerWaalsContact O-CG 3.23Å; M110-M114 WeakPolarHBondContact O-CG 3.47Å; M110-M114 PolarHBondContact O-N 2.79Å; V111-M114 PolarHBondContact O-N 3.34Å; E112-M114 VanDerWaalsContact C-N 3.25Å; E112-M114 PolarHBondContact O-N 2.92Å; M114-L140 HydrophobicContact CE-CD1 3.73Å; M114-Y143 HydrophobicContact CE-CD1 3.7Å; M114-Y143 HydrophobicContact CE-CE1 3.77Å; M114-Y143 HydrophobicContact SD-CD1 4.18Å; M114-Y143 HydrophobicContact SD-CE1 3.86Å; M114-L144 HydrophobicContact CE-CD1 4.44Å; M114-L144 HydrophobicContact CE-CD2 4.19Å; M114-L144 HydrophobicContact CE-CG 4.02Å; M114-L144 HydrophobicContact SD-CD2 3.61Å; M114-L144 HydrophobicContact SD-CG 4.05Å; M114-L147 HydrophobicContact SD-CD1 3.78Å; M114-M235 HydrophobicContact CG-CE 3.8Å; M114-F322 VanDerWaalsContact O-CE2 3.28Å; M114-F322 WeakPolarHBondContact O-CE2 3.13Å; M114-L462 WeakPolarHBondContact O-CD1 3.33Å
115F93.3Very high92.7Very high11 Ų1118.5 Ų18.55%0.0489%0.092CC..Hα-helixtrans-118.9-12.2-170.4-57-66.5000114.4V111 V118 T119 L125 E128 L129 L140 L462V111-F115 HydrophobicContact CB-CD2 4.38Å; V111-F115 HydrophobicContact CG1-CD2 3.74Å; V111-F115 HydrophobicContact CG1-CE2 4.24Å; V111-F115 WeakPolarHBondContact O-CB 3.19Å; V111-F115 WeakPolarHBondContact O-CD2 3.48Å; V111-F115 PolarHBondContact O-N 3.47Å; F115-V118 HydrophobicContact CB-CB 4.4Å; F115-V118 WeakPolarHBondContact O-CB 2.9Å; F115-V118 WeakPolarHBondContact O-CG2 3.17Å; F115-V118 PolarHBondContact O-N 2.86Å; F115-T119 HydrophobicContact CB-CG2 4.1Å; F115-L125 HydrophobicContact CD2-CD1 4.27Å; F115-E128 HydrophobicContact CD1-CB 3.84Å; F115-E128 HydrophobicContact CD1-CG 4.2Å; F115-E128 HydrophobicContact CE1-CB 3.78Å; F115-E128 HydrophobicContact CG-CB 4.47Å; F115-E128 HydrophobicContact CZ-CB 4.36Å; F115-L129 HydrophobicContact CD2-CD2 4.48Å; F115-L129 HydrophobicContact CE2-CD2 3.58Å; F115-L129 HydrophobicContact CE2-CG 4.4Å; F115-L129 HydrophobicContact CZ-CD2 4.03Å; F115-L140 HydrophobicContact CZ-CD1 3.95Å; F115-L140 HydrophobicContact CZ-CD2 4.14Å; F115-L462 HydrophobicContact CD1-CD1 4.23Å; F115-L462 HydrophobicContact CD1-CD2 3.96Å
116G93.8Very high92.7Very high0 Ų020 Ų200%010%0.098CC..G310 helixtrans61.1-139.7176.100000112.8E112 V118 T119 M334E112-G116 VanDerWaalsContact O-CA 3.28Å; E112-G116 WeakPolarHBondContact O-CA 3.23Å; E112-G116 PolarHBondContact O-N 2.98Å; G116-V118 PolarHBondContact O-N 2.72Å; G116-T119 WeakPolarHBondContact O-CG2 3.32Å; G116-T119 PolarHBondContact O-N 2.85Å; G116-T119 VanDerWaalsContact O-N 3.14Å; G116-T119 PolarHBondContact O-OG1 3.2Å; G116-T119 VanDerWaalsContact O-OG1 3.08Å; G116-M334 VanDerWaalsContact C-SD 3.55Å; G116-M334 VanDerWaalsContact O-SD 3.42Å
117M93.1Very high92.5Very high0 Ų025.9 Ų25.90%012%0.123CC..G310 helixtrans-63.6-10.6-176.7-61.8-170.8-127.800114.4T119 L120 M334 M335 A362 V365 Y366 L369 C454 Y457M117-T119 PolarHBondContact O-N 3.45Å; M117-L120 HydrophobicContact CB-CD1 4.26Å; M117-L120 HydrophobicContact CG-CD1 4.46Å; M117-L120 WeakPolarHBondContact O-CB 3.2Å; M117-L120 PolarHBondContact O-N 2.9Å; M117-L120 VanDerWaalsContact O-N 3.07Å; M117-M334 HydrophobicContact CG-CB 4.03Å; M117-M334 HydrophobicContact CG-SD 4.41Å; M117-M335 HydrophobicContact CE-CE 3.32Å; M117-A362 HydrophobicContact CE-CB 3.98Å; M117-A362 WeakPolarHBondContact CE-O 3.47Å; M117-V365 HydrophobicContact SD-CG1 4.21Å; M117-Y366 HydrophobicContact SD-CD2 4.19Å; M117-L369 HydrophobicContact CB-CD1 4.42Å; M117-L369 HydrophobicContact SD-CD1 3.87Å; M117-C454 PolarHBondContact O-SG 2.87Å; M117-C454 VanDerWaalsContact O-SG 3.42Å; M117-Y457 HydrophobicContact CB-CD1 3.84Å; M117-Y457 HydrophobicContact CB-CD2 4.37Å; M117-Y457 HydrophobicContact CB-CE1 3.82Å; M117-Y457 HydrophobicContact CB-CE2 4.34Å; M117-Y457 HydrophobicContact CB-CG 4.08Å; M117-Y457 HydrophobicContact CE-CD2 3.46Å; M117-Y457 VanDerWaalsContact CE-CD2 3.46Å; M117-Y457 HydrophobicContact CE-CE2 3.17Å; M117-Y457 HydrophobicContact CE-CG 4.43Å; M117-Y457 HydrophobicContact CG-CD2 4.31Å; M117-Y457 HydrophobicContact CG-CE1 4.24Å; M117-Y457 HydrophobicContact CG-CE2 4Å; M117-Y457 VanDerWaalsContact N-CE1 3.31Å; M117-Y457 PolarHBondContact N-OH 3.18Å; M117-Y457 HydrophobicContact SD-CD2 4.07Å; M117-Y457 HydrophobicContact SD-CE2 4.11Å
118V92.2Very high92.4Very high0 Ų026.9 Ų26.90%013%0.127CC..G310 helixtrans-61-26.7174.4-176.20000111.4F115 G116 L120 S121 L124 E128 Y457 R458 L462F115-V118 HydrophobicContact CB-CB 4.4Å; F115-V118 WeakPolarHBondContact O-CB 2.9Å; F115-V118 WeakPolarHBondContact O-CG2 3.17Å; F115-V118 PolarHBondContact O-N 2.86Å; G116-V118 PolarHBondContact O-N 2.72Å; V118-L120 PolarHBondContact O-N 2.9Å; V118-S121 PolarHBondContact O-N 2.86Å; V118-L124 HydrophobicContact CG1-CB 3.57Å; V118-E128 HydrophobicContact CG1-CG 3.81Å; V118-Y457 HydrophobicContact CG2-CD1 4.11Å; V118-Y457 HydrophobicContact CG2-CE1 4.45Å; V118-R458 HydrophobicContact CG2-CB 3.67Å; V118-R458 HydrophobicContact CG2-CG 3.98Å; V118-L462 HydrophobicContact CG2-CD2 4.04Å
119T92.6Very high92.2Very high10 Ų1024.9 Ų24.96%0.06112%0.119CC..G310 helixtrans-65.2-20.6176.167.10000113.4V111 E112 F115 G116 M117 S121 L125 M334V111-T119 HydrophobicContact CG1-CG2 3.85Å; E112-T119 HydrophobicContact CG-CG2 4.43Å; F115-T119 HydrophobicContact CB-CG2 4.1Å; G116-T119 WeakPolarHBondContact O-CG2 3.32Å; G116-T119 PolarHBondContact O-N 2.85Å; G116-T119 VanDerWaalsContact O-N 3.14Å; G116-T119 PolarHBondContact O-OG1 3.2Å; G116-T119 VanDerWaalsContact O-OG1 3.08Å; M117-T119 PolarHBondContact O-N 3.45Å; T119-S121 PolarHBondContact O-N 2.85Å; T119-L125 HydrophobicContact CG2-CD1 4.09Å; T119-M334 HydrophobicContact CG2-CE 4.45Å; T119-M334 WeakPolarHBondContact OG1-CE 2.92Å
120L91.4Very high92Very high55 Ų5526 Ų2629%0.28812%0.122SC..G310 helixtrans-76.1-0.9178-55.8176.4000113M117 V118 L369M117-L120 HydrophobicContact CB-CD1 4.26Å; M117-L120 HydrophobicContact CG-CD1 4.46Å; M117-L120 WeakPolarHBondContact O-CB 3.2Å; M117-L120 PolarHBondContact O-N 2.9Å; M117-L120 VanDerWaalsContact O-N 3.07Å; V118-L120 PolarHBondContact O-N 2.9Å; L120-L369 HydrophobicContact CD1-CD1 4.03Å
121S90.9Very high91.7Very high2 Ų226.3 Ų26.31%0.01413%0.125CC..  trans-129.3109.4173.4178.30000109.3V118 T119 N123 L124 L125 T451V118-S121 PolarHBondContact O-N 2.86Å; T119-S121 PolarHBondContact O-N 2.85Å; S121-N123 PolarHBondContact O-N 3.37Å; S121-L124 PolarHBondContact O-N 3.28Å; S121-L124 VanDerWaalsContact O-N 3.1Å; S121-L125 WeakPolarHBondContact O-CB 3.13Å; S121-L125 PolarHBondContact O-N 3.23Å; S121-T451 PolarHBondContact OG-OG1 3.32Å
122G86.4Confident91.3Very high10 Ų1035.7 Ų35.710%0.10317%0.169CC..Hα-helixtrans-60-35.2-179.800000112.4E83 L124 L125 R126E83-G122 WeakPolarHBondContact OE2-CA 3.36Å; E83-G122 PolarHBondContact OE2-N 2.81Å; G122-L124 PolarHBondContact O-N 3.01Å; G122-L125 PolarHBondContact O-N 3.27Å; G122-R126 VanDerWaalsContact O-CB 3.23Å; G122-R126 WeakPolarHBondContact O-CB 3.38Å; G122-R126 PolarHBondContact O-N 2.9Å
123N88.4Confident90.9Very high79 Ų7938 Ų3842%0.42218%0.182SC..Hα-helixtrans-60.7-40.7175.4-78-48.9000113.9S121 K127S121-N123 PolarHBondContact O-N 3.37Å; N123-K127 WeakPolarHBondContact O-CG 3.48Å
124L90.6Very high90.6Very high18 Ų1842.2 Ų42.29%0.09421%0.208CC..Hα-helixtrans-81.2-41.9177.8-65.6176.5000111V118 S121 G122 R126 K127 E128 T451 C454V118-L124 HydrophobicContact CG1-CB 3.57Å; S121-L124 PolarHBondContact O-N 3.28Å; S121-L124 VanDerWaalsContact O-N 3.1Å; G122-L124 PolarHBondContact O-N 3.01Å; L124-R126 PolarHBondContact O-N 2.83Å; L124-K127 WeakPolarHBondContact O-CA 2.91Å; L124-K127 WeakPolarHBondContact O-CB 3.44Å; L124-K127 PolarHBondContact O-N 3.17Å; L124-E128 PolarHBondContact O-N 3.42Å; L124-T451 HydrophobicContact CD1-CG2 4.41Å; L124-T451 WeakPolarHBondContact CD1-O 3.41Å; L124-T451 HydrophobicContact CG-CG2 4.25Å; L124-C454 HydrophobicContact CD1-CB 3.57Å
125L91.9Very high90.2Very high6 Ų647.1 Ų47.13%0.03123%0.23CC..Hα-helixtrans-55.6-41.6175.6-178.858.9000111.5V111 F115 T119 S121 G122 K127 E128 L129V111-L125 HydrophobicContact CG1-CD1 3.8Å; F115-L125 HydrophobicContact CD2-CD1 4.27Å; T119-L125 HydrophobicContact CG2-CD1 4.09Å; S121-L125 WeakPolarHBondContact O-CB 3.13Å; S121-L125 PolarHBondContact O-N 3.23Å; G122-L125 PolarHBondContact O-N 3.27Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 2.91Å; L125-E128 PolarHBondContact O-N 2.96Å; L125-L129 HydrophobicContact CD1-CD1 3.84Å; L125-L129 HydrophobicContact CD1-CG 3.88Å; L125-L129 HydrophobicContact CD2-CD1 4.33Å; L125-L129 HydrophobicContact CG-CD1 3.82Å; L125-L129 HydrophobicContact CG-CG 4.26Å; L125-L129 WeakPolarHBondContact O-CB 3.48Å; L125-L129 PolarHBondContact O-N 2.86Å
126R91.7Very high89.8Confident87 Ų8752 Ų5233%0.32825%0.253SS..Hα-helixtrans-55.9-45.4172.5169.7169.772.9142.30.3112.6E12 L14 G122 L124 E128 R130E12-R126 VanDerWaalsContact OE2-CD 3.28Å; E12-R126 WeakPolarHBondContact OE2-CD 3.33Å; E12-R126 IonicContact OE2-NH1 3.13Å; E12-R126 PolarHBondContact OE2-NH1 3.4Å; L14-R126 HydrophobicContact CD1-CB 4.19Å; L14-R126 HydrophobicContact CD2-CB 4.04Å; L14-R126 HydrophobicContact CD2-CG 3.58Å; G122-R126 VanDerWaalsContact O-CB 3.23Å; G122-R126 WeakPolarHBondContact O-CB 3.38Å; G122-R126 PolarHBondContact O-N 2.9Å; L124-R126 PolarHBondContact O-N 2.83Å; R126-E128 VanDerWaalsContact C-N 3.27Å; R126-E128 PolarHBondContact O-N 2.87Å; R126-R130 PolarHBondContact O-N 3.44Å
127K90.8Very high89.6Confident128 Ų12854 Ų5456%0.55726%0.261SS*.Hα-helixtrans-66.1-32.7179.2-68.3176.1-178.2-178.70111.9N123 L124 L125N123-K127 WeakPolarHBondContact O-CG 3.48Å; L124-K127 WeakPolarHBondContact O-CA 2.91Å; L124-K127 WeakPolarHBondContact O-CB 3.44Å; L124-K127 PolarHBondContact O-N 3.17Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 2.91Å
128E91.4Very high89.3Confident22 Ų2256.7 Ų56.710%0.10328%0.283CS..Hα-helixtrans-76.2-46.3176.8-63.1-43.6110.600112.6F115 V118 L124 L125 R126 P131 L140 R458 L462F115-E128 HydrophobicContact CD1-CB 3.84Å; F115-E128 HydrophobicContact CD1-CG 4.2Å; F115-E128 HydrophobicContact CE1-CB 3.78Å; F115-E128 HydrophobicContact CG-CB 4.47Å; F115-E128 HydrophobicContact CZ-CB 4.36Å; V118-E128 HydrophobicContact CG1-CG 3.81Å; L124-E128 PolarHBondContact O-N 3.42Å; L125-E128 PolarHBondContact O-N 2.96Å; R126-E128 VanDerWaalsContact C-N 3.27Å; R126-E128 PolarHBondContact O-N 2.87Å; E128-P131 WeakPolarHBondContact O-CD 3.38Å; E128-L140 WeakPolarHBondContact O-CD2 3.5Å; E128-R458 IonicContact OE1-CZ 2.92Å; E128-R458 IonicContact OE1-NE 3.91Å; E128-R458 PolarHBondContact OE1-NE 3.29Å; E128-R458 IonicContact OE1-NH2 2.67Å; E128-R458 PolarHBondContact OE1-NH2 3.49Å; E128-R458 IonicContact OE2-NE 2.88Å; E128-R458 IonicContact OE2-NH2 2.71Å; E128-L462 HydrophobicContact CG-CD2 3.88Å; E128-L462 WeakPolarHBondContact OE2-CD2 3.46Å
129L91.6Very high89.1Confident0 Ų064.1 Ų64.10%031%0.312CS..Hα-helixtrans-71.8-32.5-179.5-72.9176.9000112.4I6 L14 V111 F115 L125 W141 L144I6-L129 HydrophobicContact CD1-CD1 4.07Å; I6-L129 HydrophobicContact CG2-CD1 4.07Å; L14-L129 HydrophobicContact CB-CB 4.07Å; L14-L129 HydrophobicContact CB-CD1 4.15Å; L14-L129 HydrophobicContact CD1-CD1 4.43Å; L14-L129 CarbonylContact O-C 3.55Å; V111-L129 HydrophobicContact CG2-CD2 4.46Å; F115-L129 HydrophobicContact CD2-CD2 4.48Å; F115-L129 HydrophobicContact CE2-CD2 3.58Å; F115-L129 HydrophobicContact CE2-CG 4.4Å; F115-L129 HydrophobicContact CZ-CD2 4.03Å; L125-L129 HydrophobicContact CD1-CD1 3.84Å; L125-L129 HydrophobicContact CD1-CG 3.88Å; L125-L129 HydrophobicContact CD2-CD1 4.33Å; L125-L129 HydrophobicContact CG-CD1 3.82Å; L125-L129 HydrophobicContact CG-CG 4.26Å; L125-L129 WeakPolarHBondContact O-CB 3.48Å; L125-L129 PolarHBondContact O-N 2.86Å; L129-W141 PolarHBondContact O-NE1 2.9Å; L129-L144 HydrophobicContact CD2-CD1 4Å
130R90.4Very high89Confident49 Ų4965.1 Ų65.119%0.18532%0.316CS..SBendtrans-126.374.6178.9-166175.4177.889.110110.7E12 V13 L14 E44 R126E12-R130 VanDerWaalsContact OE1-CD 3.28Å; E12-R130 WeakPolarHBondContact OE1-CD 3.31Å; E12-R130 IonicContact OE1-NE 3.04Å; E12-R130 PolarHBondContact OE1-NE 3.25Å; V13-R130 WeakPolarHBondContact O-CD 3.41Å; V13-R130 PolarHBondContact O-NH1 2.92Å; L14-R130 HydrophobicContact CD2-CB 4.4Å; E44-R130 IonicContact OE2-CZ 3.73Å; E44-R130 IonicContact OE2-NH1 3.19Å; E44-R130 PolarHBondContact OE2-NH1 3.05Å; E44-R130 IonicContact OE2-NH2 3.62Å; E44-R130 PolarHBondContact OE2-NH2 3.12Å; R126-R130 PolarHBondContact O-N 3.44Å
131P88Confident89Confident13 Ų1363 Ų638%0.08430%0.304CS..  trans-56.9151.8173.7-23.333.8000112.1E128 D133 Q136 L140E128-P131 WeakPolarHBondContact O-CD 3.38Å; P131-D133 VanDerWaalsContact C-N 3.28Å; P131-Q136 HydrophobicContact CB-CB 4.35Å; P131-Q136 HydrophobicContact CB-CG 4.33Å; P131-Q136 HydrophobicContact CG-CG 4.26Å; P131-L140 HydrophobicContact CG-CD2 4.38Å
132Q85.9Confident89.1Confident199 Ų19967.9 Ų67.993%0.9333%0.325SS*.SBendtrans-67.7-31.8175.2-68.7-175.2-13.800112T134Q132-T134 PolarHBondContact O-N 2.74Å
133D87.9Confident89.3Confident85 Ų8569.4 Ų69.446%0.45533%0.328SS..SBendtrans-71.4120.2173-176.1-41.4000109.7P131 E135 Q136 R137P131-D133 VanDerWaalsContact C-N 3.28Å; D133-E135 WeakPolarHBondContact OD1-CA 3.38Å; D133-E135 WeakPolarHBondContact OD1-CB 3.05Å; D133-E135 PolarHBondContact OD1-N 3.17Å; D133-Q136 HydrophobicContact CB-CB 3.8Å; D133-Q136 PolarHBondContact O-N 2.89Å; D133-Q136 PolarHBondContact OD1-N 2.97Å; D133-R137 VanDerWaalsContact O-CB 3.3Å; D133-R137 WeakPolarHBondContact O-CB 3.3Å; D133-R137 PolarHBondContact O-N 3.45Å
134T87.1Confident89.5Confident90 Ų9065.7 Ų65.755%0.55231%0.309SS*.Hα-helixtrans-69.7-35.3-175.9-59.10000112.2Q132 A138Q132-T134 PolarHBondContact O-N 2.74Å; T134-A138 WeakPolarHBondContact O-CB 3.25Å; T134-A138 PolarHBondContact O-N 2.93Å
135E85.8Confident89.7Confident125 Ų12566.4 Ų66.458%0.58431%0.311SS*.Hα-helixtrans-69.6-45.4175.7-70.3-170.1-161.600110.8D133 R137 A138 R139D133-E135 WeakPolarHBondContact OD1-CA 3.38Å; D133-E135 WeakPolarHBondContact OD1-CB 3.05Å; D133-E135 PolarHBondContact OD1-N 3.17Å; E135-R137 VanDerWaalsContact C-N 3.28Å; E135-R137 PolarHBondContact O-N 3.44Å; E135-A138 PolarHBondContact O-N 2.71Å; E135-R139 WeakPolarHBondContact O-CB 3.41Å; E135-R139 VanDerWaalsContact O-CG 3.27Å; E135-R139 WeakPolarHBondContact O-CG 3.45Å; E135-R139 PolarHBondContact O-N 3.13Å; E135-R139 IonicContact OE2-CZ 3.82Å; E135-R139 IonicContact OE2-NH2 3.1Å; E135-R139 PolarHBondContact OE2-NH2 3.04Å
136Q84.9Confident89.8Confident113 Ų11368.4 Ų68.453%0.52833%0.326SS..Hα-helixtrans-60-42.7177-169.3-178.94.300110.7P131 D133 R139 L140P131-Q136 HydrophobicContact CB-CB 4.35Å; P131-Q136 HydrophobicContact CB-CG 4.33Å; P131-Q136 HydrophobicContact CG-CG 4.26Å; D133-Q136 HydrophobicContact CB-CB 3.8Å; D133-Q136 PolarHBondContact O-N 2.89Å; D133-Q136 PolarHBondContact OD1-N 2.97Å; Q136-R139 PolarHBondContact O-N 3.36Å; Q136-L140 WeakPolarHBondContact O-CB 3.41Å; Q136-L140 PolarHBondContact O-N 2.93Å
137R88.3Confident89.9Confident42 Ų4264.3 Ų64.316%0.15831%0.31CS..Hα-helixtrans-59.1-50.1174.2-176.1174.975.9-156.812.4111.7E44 D133 E135 R139 L140 W141E44-R137 IonicContact OE1-NH2 3.94Å; E44-R137 IonicContact OE2-CZ 2.71Å; E44-R137 IonicContact OE2-NH2 2.93Å; D133-R137 VanDerWaalsContact O-CB 3.3Å; D133-R137 WeakPolarHBondContact O-CB 3.3Å; D133-R137 PolarHBondContact O-N 3.45Å; E135-R137 VanDerWaalsContact C-N 3.28Å; E135-R137 PolarHBondContact O-N 3.44Å; R137-R139 PolarHBondContact O-N 3.01Å; R137-L140 PolarHBondContact O-N 2.96Å; R137-W141 HydrophobicContact CG-CD2 4.2Å; R137-W141 HydrophobicContact CG-CG 4.46Å; R137-W141 HydrophobicContact CG-CZ2 4.23Å; R137-W141 WeakPolarHBondContact O-CB 3.43Å; R137-W141 PolarHBondContact O-N 3.49Å
138A87.5Confident90.1Very high57 Ų5758.5 Ų58.547%0.47129%0.285SS..Hα-helixtrans-61-42.7179.900000112.2T134 E135 K142T134-A138 WeakPolarHBondContact O-CB 3.25Å; T134-A138 PolarHBondContact O-N 2.93Å; E135-A138 PolarHBondContact O-N 2.71Å; A138-K142 VanDerWaalsContact O-CB 3.29Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 2.93Å
139R87.8Confident90.2Very high157 Ų15761.1 Ų61.159%0.59230%0.3SS*.Hα-helixtrans-62.4-46.1176.5-69.6174.8-162.2-165.19.3111.6E135 Q136 R137 Y143E135-R139 WeakPolarHBondContact O-CB 3.41Å; E135-R139 VanDerWaalsContact O-CG 3.27Å; E135-R139 WeakPolarHBondContact O-CG 3.45Å; E135-R139 PolarHBondContact O-N 3.13Å; E135-R139 IonicContact OE2-CZ 3.82Å; E135-R139 IonicContact OE2-NH2 3.1Å; E135-R139 PolarHBondContact OE2-NH2 3.04Å; Q136-R139 PolarHBondContact O-N 3.36Å; R137-R139 PolarHBondContact O-N 3.01Å; R139-Y143 WeakPolarHBondContact O-CB 3.46Å; R139-Y143 PolarHBondContact O-N 2.81Å
140L90.3Very high90.4Very high30 Ų3062.2 Ų62.216%0.15731%0.307CS..Hα-helixtrans-62.8-48.2178.7174.863.5000111.7M114 F115 E128 P131 Q136 R137 Y143 L144M114-L140 HydrophobicContact CE-CD1 3.73Å; F115-L140 HydrophobicContact CZ-CD1 3.95Å; F115-L140 HydrophobicContact CZ-CD2 4.14Å; E128-L140 WeakPolarHBondContact O-CD2 3.5Å; P131-L140 HydrophobicContact CG-CD2 4.38Å; Q136-L140 WeakPolarHBondContact O-CB 3.41Å; Q136-L140 PolarHBondContact O-N 2.93Å; R137-L140 PolarHBondContact O-N 2.96Å; L140-Y143 PolarHBondContact O-N 3.25Å; L140-L144 HydrophobicContact CD1-CD1 4.02Å; L140-L144 HydrophobicContact CG-CD1 4.04Å; L140-L144 PolarHBondContact O-N 3.4Å
141W92.3Very high90.5Very high10 Ų1060.4 Ų60.44%0.03830%0.3CS..Hα-helixtrans-63.9-43.6-179.8-76.414.7000111.7L14 F15 H16 E44 L129 R137 Y143 L144 Q145L14-W141 VanDerWaalsContact O-CE2 3.28Å; L14-W141 WeakPolarHBondContact O-CZ2 3.17Å; L14-W141 PolarHBondContact O-NE1 3.44Å; F15-W141 HydrophobicContact CD2-CB 4.35Å; F15-W141 AromaticContact CD2-CD1 3.89Å; F15-W141 HydrophobicContact CD2-CD2 4.44Å; F15-W141 AromaticContact CD2-CG 3.99Å; F15-W141 HydrophobicContact CD2-CG 3.99Å; F15-W141 HydrophobicContact CE2-CB 4.42Å; H16-W141 AromaticContact CE1-CE3 3.66Å; H16-W141 AromaticContact CE1-CZ3 3.43Å; H16-W141 VanDerWaalsContact CE1-CZ3 3.43Å; H16-W141 WeakPolarHBondContact CE1-CZ3 3.41Å; H16-W141 AromaticContact ND1-CE3 3.57Å; H16-W141 AromaticContact ND1-CH2 3.96Å; H16-W141 AromaticContact ND1-CZ3 3.22Å; H16-W141 WeakPolarHBondContact ND1-CZ3 3.27Å; E44-W141 VanDerWaalsContact CD-CZ3 3.46Å; E44-W141 HydrophobicContact CG-CH2 4.28Å; E44-W141 HydrophobicContact CG-CZ3 3.92Å; E44-W141 VanDerWaalsContact OE1-CZ3 3.29Å; E44-W141 WeakPolarHBondContact OE1-CZ3 3.06Å; L129-W141 PolarHBondContact O-NE1 2.9Å; R137-W141 HydrophobicContact CG-CD2 4.2Å; R137-W141 HydrophobicContact CG-CG 4.46Å; R137-W141 HydrophobicContact CG-CZ2 4.23Å; R137-W141 WeakPolarHBondContact O-CB 3.43Å; R137-W141 PolarHBondContact O-N 3.49Å; W141-Y143 VanDerWaalsContact C-N 3.27Å; W141-Y143 PolarHBondContact O-N 3.47Å; W141-L144 PolarHBondContact O-N 2.94Å; W141-Q145 WeakPolarHBondContact O-CB 3.39Å; W141-Q145 WeakPolarHBondContact O-CG 3.16Å; W141-Q145 PolarHBondContact O-N 3.18Å
142K91.3Very high90.7Very high106 Ų10660.7 Ų60.746%0.46130%0.302SS..Hα-helixtrans-61.1-38.2175.5-179.4157.4163.6-168.10111.7A138 S146 I310A138-K142 VanDerWaalsContact O-CB 3.29Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 2.93Å; K142-S146 VanDerWaalsContact O-CB 3.27Å; K142-S146 WeakPolarHBondContact O-CB 3.23Å; K142-S146 PolarHBondContact O-N 3.21Å; K142-I310 HydrophobicContact CD-CD1 3.4Å; K142-I310 HydrophobicContact CG-CD1 4.11Å; K142-I310 VanDerWaalsContact NZ-CD1 3.28Å
143Y91.3Very high90.9Very high41 Ų4155.4 Ų55.416%0.16128%0.28CS..Hα-helixtrans-64.8-47.3175.1179.3-105.6000112.6M114 R139 L140 W141 S146 L147 N238 R319M114-Y143 HydrophobicContact CE-CD1 3.7Å; M114-Y143 HydrophobicContact CE-CE1 3.77Å; M114-Y143 HydrophobicContact SD-CD1 4.18Å; M114-Y143 HydrophobicContact SD-CE1 3.86Å; R139-Y143 WeakPolarHBondContact O-CB 3.46Å; R139-Y143 PolarHBondContact O-N 2.81Å; L140-Y143 PolarHBondContact O-N 3.25Å; W141-Y143 VanDerWaalsContact C-N 3.27Å; W141-Y143 PolarHBondContact O-N 3.47Å; Y143-S146 WeakPolarHBondContact O-CB 3.47Å; Y143-S146 PolarHBondContact O-N 3.29Å; Y143-L147 HydrophobicContact CD1-CD1 4.04Å; Y143-L147 HydrophobicContact CE1-CD1 3.49Å; Y143-L147 VanDerWaalsContact CE1-CD1 3.49Å; Y143-L147 HydrophobicContact CE1-CG 4.14Å; Y143-L147 HydrophobicContact CE2-CG 4.49Å; Y143-L147 WeakPolarHBondContact O-CG 3.44Å; Y143-L147 PolarHBondContact O-N 2.91Å; Y143-N238 VanDerWaalsContact CE2-ND2 3.27Å; Y143-N238 WeakPolarHBondContact CE2-ND2 3.36Å; Y143-R319 VanDerWaalsContact CE2-CZ 3.48Å; Y143-R319 VanDerWaalsContact CE2-NH1 3.29Å; Y143-R319 PolarHBondContact OH-NH1 3.44Å
144L93.6Very high91.1Very high2 Ų252.1 Ų52.11%0.0126%0.262CS..Hα-helixtrans-62-41.5175.5-84.8156.2000112.3F15 V111 M114 L129 L140 W141 L147 L148F15-L144 HydrophobicContact CD2-CB 4.09Å; F15-L144 HydrophobicContact CD2-CD1 4.06Å; F15-L144 HydrophobicContact CE2-CB 3.37Å; F15-L144 HydrophobicContact CE2-CD1 4.21Å; F15-L144 HydrophobicContact CE2-CG 4.39Å; F15-L144 HydrophobicContact CZ-CB 3.72Å; V111-L144 HydrophobicContact CG2-CD2 4.36Å; M114-L144 HydrophobicContact CE-CD1 4.44Å; M114-L144 HydrophobicContact CE-CD2 4.19Å; M114-L144 HydrophobicContact CE-CG 4.02Å; M114-L144 HydrophobicContact SD-CD2 3.61Å; M114-L144 HydrophobicContact SD-CG 4.05Å; L129-L144 HydrophobicContact CD2-CD1 4Å; L140-L144 HydrophobicContact CD1-CD1 4.02Å; L140-L144 HydrophobicContact CG-CD1 4.04Å; L140-L144 PolarHBondContact O-N 3.4Å; W141-L144 PolarHBondContact O-N 2.94Å; L144-L147 PolarHBondContact O-N 3.48Å; L144-L148 WeakPolarHBondContact O-CG 3.25Å; L144-L148 PolarHBondContact O-N 2.94Å; L144-L148 VanDerWaalsContact O-N 3.1Å
145Q94.3Very high91.2Very high33 Ų3349.4 Ų49.415%0.15424%0.242CC..Hα-helixtrans-59.2-48.3173.7-73.9168.2-7.100110.6F15 H16 W17 W141 L147 L148 D149F15-Q145 HydrophobicContact CE2-CG 3.92Å; F15-Q145 HydrophobicContact CZ-CG 3.93Å; H16-Q145 PolarHBondContact O-NE2 3.39Å; W17-Q145 HydrophobicContact CB-CG 4.21Å; W141-Q145 WeakPolarHBondContact O-CB 3.39Å; W141-Q145 WeakPolarHBondContact O-CG 3.16Å; W141-Q145 PolarHBondContact O-N 3.18Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 2.89Å; Q145-L148 WeakPolarHBondContact O-CA 3.5Å; Q145-L148 WeakPolarHBondContact O-CB 3.5Å; Q145-L148 PolarHBondContact O-N 3.17Å; Q145-D149 PolarHBondContact O-N 3.12Å
146S94Very high91.3Very high47 Ų4750.2 Ų50.233%0.32925%0.246SC..Hα-helixtrans-60.4-36.3177.5-165.80000112.8K142 Y143 D149 T150 N238K142-S146 VanDerWaalsContact O-CB 3.27Å; K142-S146 WeakPolarHBondContact O-CB 3.23Å; K142-S146 PolarHBondContact O-N 3.21Å; Y143-S146 WeakPolarHBondContact O-CB 3.47Å; Y143-S146 PolarHBondContact O-N 3.29Å; S146-D149 PolarHBondContact O-N 2.84Å; S146-T150 WeakPolarHBondContact O-CB 3.27Å; S146-T150 PolarHBondContact O-N 3.41Å; S146-T150 PolarHBondContact O-OG1 2.9Å; S146-N238 VanDerWaalsContact C-OD1 3.22Å; S146-N238 VanDerWaalsContact CB-OD1 3.25Å; S146-N238 WeakPolarHBondContact CB-OD1 3.47Å; S146-N238 PolarHBondContact O-OD1 2.89Å; S146-N238 PolarHBondContact OG-OD1 3.07Å
147L94.5Very high91.3Very high1 Ų149.9 Ų49.91%0.00525%0.247CC..Hα-helixtrans-64.8-39.9172.8-71.7174.2000112.2M114 Y143 L144 Q145 Y151 V234 M235 N238M114-L147 HydrophobicContact SD-CD1 3.78Å; Y143-L147 HydrophobicContact CD1-CD1 4.04Å; Y143-L147 HydrophobicContact CE1-CD1 3.49Å; Y143-L147 VanDerWaalsContact CE1-CD1 3.49Å; Y143-L147 HydrophobicContact CE1-CG 4.14Å; Y143-L147 HydrophobicContact CE2-CG 4.49Å; Y143-L147 WeakPolarHBondContact O-CG 3.44Å; Y143-L147 PolarHBondContact O-N 2.91Å; L144-L147 PolarHBondContact O-N 3.48Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 2.89Å; L147-Y151 WeakPolarHBondContact O-CB 3.42Å; L147-Y151 PolarHBondContact O-N 2.87Å; L147-V234 HydrophobicContact CD2-CG1 4.09Å; L147-V234 WeakPolarHBondContact O-CG1 3.48Å; L147-M235 HydrophobicContact CD2-CB 4.46Å; L147-M235 HydrophobicContact CD2-CG 3.92Å; L147-N238 HydrophobicContact CD2-CB 3.7Å
148L94.6Very high91.1Very high6 Ų648.6 Ų48.63%0.03124%0.244CC..Hα-helixtrans-70.1-37.9176.6-69.2175.4000112.2L4 F15 W17 L107 L144 Q145 Y151 S152L4-L148 HydrophobicContact CD1-CD1 3.96Å; L4-L148 HydrophobicContact CD1-CD2 4.44Å; F15-L148 HydrophobicContact CE1-CD1 3.8Å; F15-L148 HydrophobicContact CZ-CD1 3.91Å; W17-L148 HydrophobicContact CB-CD1 3.79Å; W17-L148 HydrophobicContact CG-CD1 4.03Å; L107-L148 HydrophobicContact CB-CD2 4.25Å; L107-L148 HydrophobicContact CD1-CD1 4.13Å; L107-L148 HydrophobicContact CD1-CD2 4.19Å; L107-L148 HydrophobicContact CD1-CG 4.46Å; L144-L148 WeakPolarHBondContact O-CG 3.25Å; L144-L148 PolarHBondContact O-N 2.94Å; L144-L148 VanDerWaalsContact O-N 3.1Å; Q145-L148 WeakPolarHBondContact O-CA 3.5Å; Q145-L148 WeakPolarHBondContact O-CB 3.5Å; Q145-L148 PolarHBondContact O-N 3.17Å; L148-Y151 PolarHBondContact O-N 3.47Å; L148-S152 WeakPolarHBondContact O-CB 3.48Å; L148-S152 PolarHBondContact O-N 3.1Å; L148-S152 PolarHBondContact O-OG 3.47Å
149D94Very high90.9Very high78 Ų7851.9 Ų51.942%0.41725%0.25SC..Hα-helixtrans-62.7-47.8173.3-67.6-33.9000110.1W17 Q145 S146 Y151 S152 L153W17-D149 PolarHBondContact NE1-OD1 3.43Å; Q145-D149 PolarHBondContact O-N 3.12Å; S146-D149 PolarHBondContact O-N 2.84Å; D149-Y151 PolarHBondContact O-N 2.86Å; D149-S152 PolarHBondContact O-N 3.02Å; D149-L153 WeakPolarHBondContact O-CB 3.45Å; D149-L153 PolarHBondContact O-N 2.97Å
150T94.1Very high90.6Very high22 Ų2244.5 Ų44.514%0.13522%0.222CC..Hα-helixtrans-58-47.5175.3-58.50000110.9S146 S152 L153 L154 V234 Q237 N238S146-T150 WeakPolarHBondContact O-CB 3.27Å; S146-T150 PolarHBondContact O-N 3.41Å; S146-T150 PolarHBondContact O-OG1 2.9Å; T150-S152 VanDerWaalsContact C-N 3.34Å; T150-S152 PolarHBondContact O-N 3.4Å; T150-L153 PolarHBondContact O-N 3.16Å; T150-L154 HydrophobicContact CG2-CD1 3.96Å; T150-L154 HydrophobicContact CG2-CG 4.31Å; T150-L154 WeakPolarHBondContact O-CB 3.45Å; T150-L154 WeakPolarHBondContact O-CG 3.45Å; T150-L154 PolarHBondContact O-N 3.45Å; T150-V234 HydrophobicContact CG2-CG1 4.09Å; T150-Q237 HydrophobicContact CG2-CB 3.84Å; T150-N238 HydrophobicContact CG2-CB 4.3Å; T150-N238 PolarHBondContact OG1-OD1 2.98Å
151Y93.6Very high90.5Very high11 Ų1143.3 Ų43.34%0.04322%0.215CC..Hα-helixtrans-60.3-43.2176.7168.8-101.4000112.2K103 V106 L147 L148 D149 L154 R155 F161 V234K103-Y151 HydrophobicContact CG-CE1 4.33Å; V106-Y151 HydrophobicContact CB-CE1 4.36Å; V106-Y151 HydrophobicContact CG1-CD1 3.99Å; V106-Y151 HydrophobicContact CG1-CD2 3.9Å; V106-Y151 HydrophobicContact CG1-CE1 4.12Å; V106-Y151 HydrophobicContact CG1-CE2 4.04Å; V106-Y151 HydrophobicContact CG1-CG 3.87Å; V106-Y151 HydrophobicContact CG2-CE1 4.2Å; V106-Y151 HydrophobicContact CG2-CE2 3.93Å; L147-Y151 WeakPolarHBondContact O-CB 3.42Å; L147-Y151 PolarHBondContact O-N 2.87Å; L148-Y151 PolarHBondContact O-N 3.47Å; D149-Y151 PolarHBondContact O-N 2.86Å; Y151-L154 PolarHBondContact O-N 3.44Å; Y151-R155 VanDerWaalsContact O-CB 3.29Å; Y151-R155 WeakPolarHBondContact O-CB 3.3Å; Y151-R155 PolarHBondContact O-N 3.1Å; Y151-F161 HydrophobicContact CD2-CD1 4.24Å; Y151-F161 HydrophobicContact CE2-CD1 4.37Å; Y151-V234 HydrophobicContact CD2-CG2 4.47Å
152S91.3Very high90.1Very high19 Ų1947.1 Ų47.113%0.13324%0.236CC..Hα-helixtrans-64.2-45.8-179.6-57.90000111L148 D149 T150 L154 R155 E156L148-S152 WeakPolarHBondContact O-CB 3.48Å; L148-S152 PolarHBondContact O-N 3.1Å; L148-S152 PolarHBondContact O-OG 3.47Å; D149-S152 PolarHBondContact O-N 3.02Å; T150-S152 VanDerWaalsContact C-N 3.34Å; T150-S152 PolarHBondContact O-N 3.4Å; S152-L154 PolarHBondContact O-N 2.89Å; S152-R155 PolarHBondContact O-N 3.43Å; S152-E156 WeakPolarHBondContact O-CG 3.27Å; S152-E156 PolarHBondContact O-N 3.15Å; S152-E156 VanDerWaalsContact O-N 3.1Å
153L91.8Very high89.7Confident89 Ų8946 Ų4647%0.46624%0.238SC..Hα-helixtrans-58.8-47.2174.5-178.269.4000112D149 T150 R155 E156 N157D149-L153 WeakPolarHBondContact O-CB 3.45Å; D149-L153 PolarHBondContact O-N 2.97Å; T150-L153 PolarHBondContact O-N 3.16Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.05Å; L153-E156 PolarHBondContact O-N 2.59Å; L153-N157 WeakPolarHBondContact CD1-ND2 3.32Å; L153-N157 WeakPolarHBondContact O-CB 3.45Å; L153-N157 PolarHBondContact O-N 2.77Å
154L91.1Very high89.3Confident15 Ų1544.9 Ų44.98%0.07923%0.234CC..Hα-helixtrans-65.4-36.2179.1-69.9-179.5000111.9T150 Y151 S152 E156 D158 F161 T210 V234 Q237T150-L154 HydrophobicContact CG2-CD1 3.96Å; T150-L154 HydrophobicContact CG2-CG 4.31Å; T150-L154 WeakPolarHBondContact O-CB 3.45Å; T150-L154 WeakPolarHBondContact O-CG 3.45Å; T150-L154 PolarHBondContact O-N 3.45Å; Y151-L154 PolarHBondContact O-N 3.44Å; S152-L154 PolarHBondContact O-N 2.89Å; L154-E156 VanDerWaalsContact C-N 3.31Å; L154-E156 PolarHBondContact O-N 3.14Å; L154-D158 WeakPolarHBondContact O-CA 3.39Å; L154-D158 WeakPolarHBondContact O-CB 3.36Å; L154-D158 PolarHBondContact O-N 3.31Å; L154-F161 HydrophobicContact CB-CB 4.37Å; L154-F161 HydrophobicContact CB-CD1 4.18Å; L154-F161 HydrophobicContact CB-CD2 3.78Å; L154-F161 HydrophobicContact CB-CE1 4.49Å; L154-F161 HydrophobicContact CB-CE2 4.1Å; L154-F161 HydrophobicContact CB-CG 3.82Å; L154-F161 HydrophobicContact CB-CZ 4.45Å; L154-F161 HydrophobicContact CD1-CD2 4.35Å; L154-F161 HydrophobicContact CD1-CE1 4.05Å; L154-F161 HydrophobicContact CD1-CE2 3.81Å; L154-F161 HydrophobicContact CD1-CZ 3.64Å; L154-F161 HydrophobicContact CG-CE2 4.4Å; L154-T210 HydrophobicContact CD1-CG2 4.24Å; L154-T210 HydrophobicContact CD2-CG2 3.52Å; L154-T210 HydrophobicContact CG-CG2 4.47Å; L154-V234 HydrophobicContact CD1-CG2 4.29Å; L154-Q237 HydrophobicContact CD1-CB 4.2Å; L154-Q237 HydrophobicContact CD1-CG 4.13Å
155R89Confident88.9Confident33 Ų3345.6 Ų45.613%0.12524%0.24CC..Hα-helixtrans-65.7-34.5176.8-175.3-175.3177.1-141.7-0.2112.5E95 D99 Y151 S152 L153 F161E95-R155 IonicContact OE1-NH1 3.38Å; E95-R155 PolarHBondContact OE1-NH1 2.89Å; D99-R155 IonicContact OD1-CZ 3.43Å; D99-R155 IonicContact OD1-NH2 2.61Å; D99-R155 PolarHBondContact OD1-NH2 2.86Å; Y151-R155 VanDerWaalsContact O-CB 3.29Å; Y151-R155 WeakPolarHBondContact O-CB 3.3Å; Y151-R155 PolarHBondContact O-N 3.1Å; S152-R155 PolarHBondContact O-N 3.43Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.05Å; R155-F161 HydrophobicContact CB-CB 4.44Å
156E87.6Confident88.5Confident143 Ų14344.4 Ų44.467%0.66824%0.235SC*.Hα-helixtrans-76.3-40.3178-71.9172.2-171.300111.9S152 L153 L154S152-E156 WeakPolarHBondContact O-CG 3.27Å; S152-E156 PolarHBondContact O-N 3.15Å; S152-E156 VanDerWaalsContact O-N 3.1Å; L153-E156 PolarHBondContact O-N 2.59Å; L154-E156 VanDerWaalsContact C-N 3.31Å; L154-E156 PolarHBondContact O-N 3.14Å
157N86Confident88.2Confident105 Ų10542.9 Ų42.956%0.56122%0.223SC*.Hα-helixtrans-95.2-20.1-171.9-67.9-23.7000114.7L153L153-N157 WeakPolarHBondContact CD1-ND2 3.32Å; L153-N157 WeakPolarHBondContact O-CB 3.45Å; L153-N157 PolarHBondContact O-N 2.77Å
158D83.9Confident87.8Confident15 Ų1545.6 Ų45.68%0.0823%0.233CC..  trans-127.1120.7-172.2-164.3-32.2000112L154 S160 F161 L162 T210L154-D158 WeakPolarHBondContact O-CA 3.39Å; L154-D158 WeakPolarHBondContact O-CB 3.36Å; L154-D158 PolarHBondContact O-N 3.31Å; D158-S160 PolarHBondContact O-N 3.26Å; D158-S160 VanDerWaalsContact OD1-CB 3.26Å; D158-S160 WeakPolarHBondContact OD1-CB 3.22Å; D158-S160 PolarHBondContact OD1-N 2.79Å; D158-S160 PolarHBondContact OD1-OG 3.16Å; D158-S160 PolarHBondContact OD2-OG 2.99Å; D158-F161 HydrophobicContact CB-CD2 4.08Å; D158-F161 PolarHBondContact O-N 2.98Å; D158-L162 PolarHBondContact O-N 3.43Å; D158-T210 VanDerWaalsContact OD2-CB 3.27Å; D158-T210 WeakPolarHBondContact OD2-CB 3.49Å; D158-T210 PolarHBondContact OD2-OG1 2.88Å
159Q81.9Confident87.3Confident127 Ų12745.5 Ų45.559%0.59323%0.233SC*.Hα-helixtrans-58.6-34.5179.4-170.717518.900111.9F161 L162 V163Q159-F161 VanDerWaalsContact C-N 3.25Å; Q159-F161 PolarHBondContact O-N 3.13Å; Q159-L162 WeakPolarHBondContact O-CB 3.4Å; Q159-L162 PolarHBondContact O-N 3.1Å; Q159-L162 VanDerWaalsContact O-N 3.11Å; Q159-V163 HydrophobicContact CG-CG1 4.36Å; Q159-V163 WeakPolarHBondContact O-CG2 3.4Å; Q159-V163 PolarHBondContact O-N 3.25Å
160S83.1Confident86.7Confident2 Ų244.4 Ų44.41%0.01423%0.226CC..Hα-helixtrans-54.8-40.5178.461.70000112.8D158 E164 A165 E167D158-S160 PolarHBondContact O-N 3.26Å; D158-S160 VanDerWaalsContact OD1-CB 3.26Å; D158-S160 WeakPolarHBondContact OD1-CB 3.22Å; D158-S160 PolarHBondContact OD1-N 2.79Å; D158-S160 PolarHBondContact OD1-OG 3.16Å; D158-S160 PolarHBondContact OD2-OG 2.99Å; S160-E164 CarbonylContact O-C 3.57Å; S160-E164 VanDerWaalsContact O-CA 3.3Å; S160-E164 WeakPolarHBondContact O-CA 3.45Å; S160-E164 PolarHBondContact O-N 3.14Å; S160-A165 WeakPolarHBondContact CA-O 3.39Å; S160-A165 WeakPolarHBondContact CB-O 3.41Å; S160-A165 PolarHBondContact O-N 3.05Å; S160-E167 PolarHBondContact N-OE1 3.13Å
161F86.7Confident86.2Confident4 Ų445.1 Ų45.12%0.01823%0.228CC..Hα-helixtrans-79.4-31.5179-77-88.2000112.4Y151 L154 R155 D158 Q159 T210 L230 I233 V234Y151-F161 HydrophobicContact CD2-CD1 4.24Å; Y151-F161 HydrophobicContact CE2-CD1 4.37Å; L154-F161 HydrophobicContact CB-CB 4.37Å; L154-F161 HydrophobicContact CB-CD1 4.18Å; L154-F161 HydrophobicContact CB-CD2 3.78Å; L154-F161 HydrophobicContact CB-CE1 4.49Å; L154-F161 HydrophobicContact CB-CE2 4.1Å; L154-F161 HydrophobicContact CB-CG 3.82Å; L154-F161 HydrophobicContact CB-CZ 4.45Å; L154-F161 HydrophobicContact CD1-CD2 4.35Å; L154-F161 HydrophobicContact CD1-CE1 4.05Å; L154-F161 HydrophobicContact CD1-CE2 3.81Å; L154-F161 HydrophobicContact CD1-CZ 3.64Å; L154-F161 HydrophobicContact CG-CE2 4.4Å; R155-F161 HydrophobicContact CB-CB 4.44Å; D158-F161 HydrophobicContact CB-CD2 4.08Å; D158-F161 PolarHBondContact O-N 2.98Å; Q159-F161 VanDerWaalsContact C-N 3.25Å; Q159-F161 PolarHBondContact O-N 3.13Å; F161-T210 HydrophobicContact CE2-CG2 3.77Å; F161-L230 HydrophobicContact CD1-CD2 4.25Å; F161-L230 HydrophobicContact CE1-CB 4.36Å; F161-L230 HydrophobicContact CE1-CD2 3.82Å; F161-L230 HydrophobicContact CE2-CD2 4.33Å; F161-L230 HydrophobicContact CZ-CD2 3.87Å; F161-I233 HydrophobicContact CE2-CG2 4.21Å; F161-I233 HydrophobicContact CZ-CB 4.17Å; F161-I233 HydrophobicContact CZ-CG2 3.72Å; F161-V234 HydrophobicContact CD1-CG2 4.42Å; F161-V234 HydrophobicContact CE1-CG2 3.56Å; F161-V234 HydrophobicContact CZ-CG2 4.2Å
162L83.7Confident85.7Confident91 Ų9148.5 Ų48.548%0.47625%0.251SS..Hα-helixtrans-64.7-41173.3-176.364.7000112.1D158 Q159D158-L162 PolarHBondContact O-N 3.43Å; Q159-L162 WeakPolarHBondContact O-CB 3.4Å; Q159-L162 PolarHBondContact O-N 3.1Å; Q159-L162 VanDerWaalsContact O-N 3.11Å
163V83.9Confident85.5Confident81 Ų8154.4 Ų54.449%0.49128%0.277SS..THydrogen-bonded Turntrans-97.80.4-179.6-54.40000114.2Q159 A165Q159-V163 HydrophobicContact CG-CG1 4.36Å; Q159-V163 WeakPolarHBondContact O-CG2 3.4Å; Q159-V163 PolarHBondContact O-N 3.25Å; V163-A165 VanDerWaalsContact C-N 3.27Å; V163-A165 HydrophobicContact CG2-CB 3.75Å; V163-A165 PolarHBondContact O-N 3.24Å
164E83.4Confident85.3Confident19 Ų1950.5 Ų50.59%0.08926%0.256CS..THydrogen-bonded Turntrans56.739180-55.9171.9151.300113.1R102 S160 L230 F515R102-E164 WeakPolarHBondContact CD-OE1 3.34Å; R102-E164 WeakPolarHBondContact CG-OE1 3.45Å; R102-E164 VanDerWaalsContact CZ-CD 3.5Å; R102-E164 IonicContact CZ-OE1 2.75Å; R102-E164 IonicContact CZ-OE2 3.58Å; R102-E164 VanDerWaalsContact NE-CD 3.27Å; R102-E164 IonicContact NE-OE1 3.07Å; R102-E164 PolarHBondContact NE-OE1 3.24Å; R102-E164 IonicContact NE-OE2 3.22Å; R102-E164 PolarHBondContact NE-OE2 2.74Å; R102-E164 VanDerWaalsContact NH2-CD 3.33Å; R102-E164 IonicContact NH2-OE1 3.97Å; R102-E164 IonicContact NH2-OE2 3.33Å; R102-E164 PolarHBondContact NH2-OE2 3.41Å; S160-E164 CarbonylContact O-C 3.57Å; S160-E164 VanDerWaalsContact O-CA 3.3Å; S160-E164 WeakPolarHBondContact O-CA 3.45Å; S160-E164 PolarHBondContact O-N 3.14Å; E164-L230 HydrophobicContact CB-CD1 4.31Å; E164-F515 HydrophobicContact CB-CB 3.94Å; E164-F515 HydrophobicContact CB-CD1 4.04Å; E164-F515 HydrophobicContact CB-CD2 3.89Å; E164-F515 HydrophobicContact CB-CE1 4.46Å; E164-F515 HydrophobicContact CB-CE2 4.27Å; E164-F515 HydrophobicContact CB-CG 3.78Å; E164-F515 HydrophobicContact CG-CB 4.48Å; E164-F515 HydrophobicContact CG-CD1 3.85Å; E164-F515 HydrophobicContact CG-CE1 4.06Å; E164-F515 HydrophobicContact CG-CG 4.12Å; E164-F515 HydrophobicContact CG-CZ 4.49Å; E164-F515 WeakPolarHBondContact OE1-CD1 3.45Å; E164-F515 VanDerWaalsContact OE1-CE1 3.31Å; E164-F515 WeakPolarHBondContact OE1-CE1 3.41Å; E164-F515 VanDerWaalsContact OE2-CB 3.23Å; E164-F515 WeakPolarHBondContact OE2-CB 3.4Å; E164-F515 VanDerWaalsContact OE2-CD1 3.23Å; E164-F515 WeakPolarHBondContact OE2-CD1 3.38Å
165A84.6Confident85.2Confident16 Ų1650.7 Ų50.713%0.13226%0.259CS..  trans-117.9137179.300000110.6S160 V163 E167S160-A165 WeakPolarHBondContact CA-O 3.39Å; S160-A165 WeakPolarHBondContact CB-O 3.41Å; S160-A165 PolarHBondContact O-N 3.05Å; V163-A165 VanDerWaalsContact C-N 3.27Å; V163-A165 HydrophobicContact CG2-CB 3.75Å; V163-A165 PolarHBondContact O-N 3.24Å; A165-E167 PolarHBondContact O-N 3.2Å
166V86.1Confident85.2Confident8 Ų855.5 Ų55.55%0.04828%0.283CS..  trans-78.2120.5177.4-176.80000109.9L212 P226 L229 L230 I233V166-L212 HydrophobicContact CG1-CD1 3.4Å; V166-L212 HydrophobicContact CG1-CG 4.05Å; V166-P226 HydrophobicContact CG2-CB 4.22Å; V166-L229 HydrophobicContact CG1-CD1 4.48Å; V166-L229 HydrophobicContact CG2-CB 3.8Å; V166-L229 HydrophobicContact CG2-CD1 4.16Å; V166-L230 HydrophobicContact CG2-CD2 4.27Å; V166-L230 HydrophobicContact CG2-CG 4.01Å; V166-I233 HydrophobicContact CG1-CD1 4.39Å
167E86.6Confident85.4Confident16 Ų1653.1 Ų53.18%0.07527%0.274CS..EExtended strand (participates in β ladder)trans-86.6146.9178.8-87.2-176.3-161.300113.3S160 A165 K211 L212 M507S160-E167 PolarHBondContact N-OE1 3.13Å; A165-E167 PolarHBondContact O-N 3.2Å; E167-K211 HydrophobicContact CB-CG 4.1Å; E167-K211 WeakPolarHBondContact OE2-CE 3.43Å; E167-K211 IonicContact OE2-NZ 2.73Å; E167-L212 PolarHBondContact O-N 2.97Å; E167-M507 HydrophobicContact CB-CE 3.61Å; E167-M507 HydrophobicContact CG-CE 3.96Å; E167-M507 VanDerWaalsContact OE2-CE 3.27Å; E167-M507 WeakPolarHBondContact OE2-CE 3.36Å
168R86.6Confident85.7Confident58 Ų5848.4 Ų48.422%0.21925%0.249CC..EExtended strand (participates in β ladder)trans-127.3138178.2-86.2-177.3161.393.52.4111.7I170 L212 F215 M507R168-I170 PolarHBondContact O-N 3.05Å; R168-L212 CarbonylContact C-O 3.57Å; R168-L212 VanDerWaalsContact CA-O 3.29Å; R168-L212 WeakPolarHBondContact CA-O 3.35Å; R168-L212 HydrophobicContact CG-CB 3.74Å; R168-L212 HydrophobicContact CG-CD1 4.46Å; R168-F215 VanDerWaalsContact NH2-CB 3.29Å; R168-M507 WeakPolarHBondContact O-CE 3.45Å
169L85Confident86.1Confident4 Ų450.7 Ų50.72%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-71.1126169.9-67.6-178.1000110.3H171 C175 V208 K211 L212 L213 L497 M507L169-H171 PolarHBondContact O-N 3.01Å; L169-C175 PolarHBondContact O-SG 3.28Å; L169-V208 HydrophobicContact CD1-CB 3.71Å; L169-V208 HydrophobicContact CD1-CG1 4.16Å; L169-V208 HydrophobicContact CD1-CG2 3.74Å; L169-K211 HydrophobicContact CD2-CB 3.95Å; L169-K211 HydrophobicContact CD2-CD 3.88Å; L169-K211 HydrophobicContact CD2-CG 4.47Å; L169-K211 HydrophobicContact CG-CB 3.92Å; L169-L212 PolarHBondContact N-O 3.19Å; L169-L213 HydrophobicContact CD1-CB 4.41Å; L169-L213 HydrophobicContact CD1-CD1 4.37Å; L169-L497 HydrophobicContact CD1-CD2 3.96Å; L169-M507 HydrophobicContact CD2-SD 4.24Å
170I80.7Confident86.7Confident55 Ų5548.6 Ų48.628%0.28225%0.251SS..  trans-91.693.2-178.8-58.8-177.3000110.4R168 P172 K500 T506 V508R168-I170 PolarHBondContact O-N 3.05Å; I170-P172 HydrophobicContact CG2-CG 4.49Å; I170-K500 WeakPolarHBondContact O-CE 3.49Å; I170-K500 PolarHBondContact O-NZ 2.85Å; I170-T506 VanDerWaalsContact CB-O 3.31Å; I170-T506 WeakPolarHBondContact CB-O 3.06Å; I170-T506 VanDerWaalsContact CD1-O 3.26Å; I170-T506 WeakPolarHBondContact CD1-O 3.34Å; I170-T506 WeakPolarHBondContact CG1-O 3.18Å; I170-V508 HydrophobicContact CD1-CB 3.96Å; I170-V508 HydrophobicContact CD1-CG2 3.5Å; I170-V508 VanDerWaalsContact CD1-CG2 3.5Å
171H83.3Confident87.3Confident36 Ų3649.6 Ų49.617%0.16726%0.255CS..  trans-137.782.4163.3-169.7-51.5000109.5L169 Q173 L174 C175 W493 F496L169-H171 PolarHBondContact O-N 3.01Å; H171-Q173 PolarHBondContact O-N 2.73Å; H171-Q173 VanDerWaalsContact O-N 3.11Å; H171-L174 HydrophobicContact CB-CB 4.04Å; H171-L174 VanDerWaalsContact ND1-CB 3.27Å; H171-L174 WeakPolarHBondContact ND1-CB 2.95Å; H171-L174 PolarHBondContact ND1-N 3.11Å; H171-L174 PolarHBondContact O-N 3.1Å; H171-C175 PolarHBondContact O-N 3.07Å; H171-C175 PolarHBondContact O-SG 3.2Å; H171-W493 AromaticContact NE2-CH2 3.95Å; H171-W493 AromaticContact NE2-CZ3 3.64Å; H171-F496 AromaticContact CD2-CE1 3.6Å; H171-F496 AromaticContact CD2-CZ 3.7Å
172P83.6Confident87.7Confident83 Ų8349.5 Ų49.554%0.53926%0.255SS..Hα-helixtrans-47-51.8-165-30.735000114.6I170 L174 C175 E176I170-P172 HydrophobicContact CG2-CG 4.49Å; P172-L174 PolarHBondContact O-N 2.64Å; P172-C175 PolarHBondContact O-N 3.37Å; P172-E176 WeakPolarHBondContact O-CB 3.4Å; P172-E176 WeakPolarHBondContact O-CG 3.45Å; P172-E176 PolarHBondContact O-N 2.96Å
173Q86.4Confident88.1Confident142 Ų14248.5 Ų48.566%0.66425%0.247SC*.Hα-helixtrans-62-43.3-180-66.2170.6-6.600113.2H171 L177H171-Q173 PolarHBondContact O-N 2.73Å; H171-Q173 VanDerWaalsContact O-N 3.11Å; Q173-L177 WeakPolarHBondContact O-CB 3.43Å; Q173-L177 WeakPolarHBondContact O-CG 3.49Å; Q173-L177 PolarHBondContact O-N 3.43Å
174L88.1Confident88.5Confident7 Ų751.5 Ų51.54%0.03725%0.25CC..Hα-helixtrans-70.7-42.3179.918062.9000110.4H171 P172 L177 C178 L213 W493 L497H171-L174 HydrophobicContact CB-CB 4.04Å; H171-L174 VanDerWaalsContact ND1-CB 3.27Å; H171-L174 WeakPolarHBondContact ND1-CB 2.95Å; H171-L174 PolarHBondContact ND1-N 3.11Å; H171-L174 PolarHBondContact O-N 3.1Å; P172-L174 PolarHBondContact O-N 2.64Å; L174-L177 PolarHBondContact O-N 3.2Å; L174-C178 VanDerWaalsContact O-CB 3.3Å; L174-C178 WeakPolarHBondContact O-CB 3.45Å; L174-C178 PolarHBondContact O-N 2.9Å; L174-C178 PolarHBondContact O-SG 3.37Å; L174-L213 HydrophobicContact CD2-CD1 4.25Å; L174-L213 HydrophobicContact CG-CD1 4.46Å; L174-W493 HydrophobicContact CD1-CD2 3.87Å; L174-W493 HydrophobicContact CD1-CE3 4.45Å; L174-W493 HydrophobicContact CD1-CG 3.96Å; L174-W493 HydrophobicContact CD1-CZ2 4.46Å; L174-W493 HydrophobicContact CD2-CB 4.37Å; L174-W493 HydrophobicContact CD2-CD2 3.88Å; L174-W493 HydrophobicContact CD2-CE3 3.73Å; L174-W493 HydrophobicContact CD2-CG 4.17Å; L174-W493 HydrophobicContact CD2-CZ3 4.31Å; L174-W493 HydrophobicContact CG-CD2 4.49Å; L174-L497 HydrophobicContact CD2-CD2 3.84Å; L174-L497 HydrophobicContact CD2-CG 4.41Å
175C89.4Confident89Confident20 Ų2058.2 Ų58.214%0.13527%0.274CS..Hα-helixtrans-59.5-47.9175.8-65.90000111.1L169 H171 P172 C178 I179 L213L169-C175 PolarHBondContact O-SG 3.28Å; H171-C175 PolarHBondContact O-N 3.07Å; H171-C175 PolarHBondContact O-SG 3.2Å; P172-C175 PolarHBondContact O-N 3.37Å; C175-C178 PolarHBondContact O-N 2.89Å; C175-I179 WeakPolarHBondContact O-CB 3.08Å; C175-I179 WeakPolarHBondContact O-CG1 3.35Å; C175-I179 PolarHBondContact O-N 3.27Å; C175-L213 PolarHBondContact SG-O 2.85Å
176E89.6Confident89.4Confident134 Ų13457.5 Ų57.563%0.62627%0.268SS*.Hα-helixtrans-59.6-48.9176.4-75.9176.4-176.100111.7P172 C178 I179 E180P172-E176 WeakPolarHBondContact O-CB 3.4Å; P172-E176 WeakPolarHBondContact O-CG 3.45Å; P172-E176 PolarHBondContact O-N 2.96Å; E176-C178 VanDerWaalsContact C-N 3.29Å; E176-C178 PolarHBondContact O-N 3.45Å; E176-I179 PolarHBondContact O-N 3.16Å; E176-E180 WeakPolarHBondContact O-CB 3.31Å; E176-E180 PolarHBondContact O-N 2.96Å
177L91Very high89.8Confident92 Ų9257.2 Ų57.248%0.48227%0.267SS..Hα-helixtrans-61-38.2177.2-72.2171.7000112.3Q173 L174 F181Q173-L177 WeakPolarHBondContact O-CB 3.43Å; Q173-L177 WeakPolarHBondContact O-CG 3.49Å; Q173-L177 PolarHBondContact O-N 3.43Å; L174-L177 PolarHBondContact O-N 3.2Å; L177-F181 WeakPolarHBondContact O-CB 3.1Å; L177-F181 PolarHBondContact O-N 2.92Å
178C92.6Very high90Very high7 Ų762.5 Ų62.55%0.04729%0.291CS..Hα-helixtrans-68.9-44.3176.8-700000111.3L174 C175 E176 F181 L182 A214L174-C178 VanDerWaalsContact O-CB 3.3Å; L174-C178 WeakPolarHBondContact O-CB 3.45Å; L174-C178 PolarHBondContact O-N 2.9Å; L174-C178 PolarHBondContact O-SG 3.37Å; C175-C178 PolarHBondContact O-N 2.89Å; E176-C178 VanDerWaalsContact C-N 3.29Å; E176-C178 PolarHBondContact O-N 3.45Å; C178-F181 PolarHBondContact O-N 3.45Å; C178-L182 WeakPolarHBondContact O-CB 3.42Å; C178-L182 VanDerWaalsContact O-CG 3.23Å; C178-L182 WeakPolarHBondContact O-CG 3.29Å; C178-L182 PolarHBondContact O-N 3.38Å; C178-A214 HydrophobicContact CB-CB 3.49Å; C178-A214 VanDerWaalsContact CB-CB 3.49Å
179I92.9Very high90.3Very high63 Ų6364.3 Ų64.332%0.32330%0.302SS..Hα-helixtrans-62.2-46.3177.4-67.8164.3000110.2C175 E176 F181 L182 E183 A214C175-I179 WeakPolarHBondContact O-CB 3.08Å; C175-I179 WeakPolarHBondContact O-CG1 3.35Å; C175-I179 PolarHBondContact O-N 3.27Å; E176-I179 PolarHBondContact O-N 3.16Å; I179-F181 VanDerWaalsContact C-N 3.3Å; I179-F181 PolarHBondContact O-N 2.91Å; I179-L182 PolarHBondContact O-N 3.2Å; I179-E183 PolarHBondContact O-N 3.49Å; I179-A214 HydrophobicContact CG1-CB 3.98Å
180E93.7Very high90.6Very high82 Ų8264.3 Ų64.338%0.38330%0.303SS..Hα-helixtrans-60.2-42176.5-171.2-167.2149.300111.4E176 E183 R184E176-E180 WeakPolarHBondContact O-CB 3.31Å; E176-E180 PolarHBondContact O-N 2.96Å; E180-E183 PolarHBondContact O-N 3.42Å; E180-R184 HydrophobicContact CG-CG 4.21Å; E180-R184 WeakPolarHBondContact O-CB 3.22Å; E180-R184 WeakPolarHBondContact O-CG 3.39Å; E180-R184 PolarHBondContact O-N 2.88Å; E180-R184 IonicContact OE1-CZ 3.42Å; E180-R184 IonicContact OE1-NE 3.8Å; E180-R184 IonicContact OE1-NH1 2.63Å; E180-R184 PolarHBondContact OE1-NH1 3.25Å; E180-R184 IonicContact OE2-NH1 3.94Å
181F95.1Very high91.2Very high24 Ų2463.1 Ų63.111%0.10530%0.297CS..Hα-helixtrans-64.7-44.6176.7173.4-95.7000112.4L177 C178 I179 E183 R185 L186 M485 V486 K489L177-F181 WeakPolarHBondContact O-CB 3.1Å; L177-F181 PolarHBondContact O-N 2.92Å; C178-F181 PolarHBondContact O-N 3.45Å; I179-F181 VanDerWaalsContact C-N 3.3Å; I179-F181 PolarHBondContact O-N 2.91Å; F181-E183 VanDerWaalsContact C-N 3.3Å; F181-E183 PolarHBondContact O-N 2.89Å; F181-R185 HydrophobicContact CD2-CB 3.84Å; F181-R185 HydrophobicContact CD2-CG 4.1Å; F181-R185 HydrophobicContact CE2-CB 3.85Å; F181-R185 HydrophobicContact CE2-CG 4.35Å; F181-R185 WeakPolarHBondContact O-CA 3.21Å; F181-R185 WeakPolarHBondContact O-CB 3.33Å; F181-R185 PolarHBondContact O-N 3.19Å; F181-L186 PolarHBondContact O-N 2.81Å; F181-M485 HydrophobicContact CZ-CB 4.12Å; F181-M485 HydrophobicContact CZ-CE 4.49Å; F181-M485 WeakPolarHBondContact CZ-O 3.4Å; F181-V486 HydrophobicContact CE1-CG2 4.05Å; F181-K489 HydrophobicContact CD1-CB 4.5Å; F181-K489 HydrophobicContact CD1-CG 4.15Å; F181-K489 HydrophobicContact CD2-CB 4.5Å; F181-K489 HydrophobicContact CD2-CD 4.15Å; F181-K489 HydrophobicContact CD2-CG 3.97Å; F181-K489 HydrophobicContact CE1-CB 4.09Å; F181-K489 HydrophobicContact CE1-CG 4.23Å; F181-K489 HydrophobicContact CE2-CB 4.09Å; F181-K489 HydrophobicContact CE2-CD 4.34Å; F181-K489 HydrophobicContact CE2-CG 4.06Å; F181-K489 HydrophobicContact CG-CG 4.01Å; F181-K489 HydrophobicContact CZ-CB 3.87Å; F181-K489 HydrophobicContact CZ-CG 4.19Å
182L94.8Very high91.6Very high1 Ų165.8 Ų65.81%0.00532%0.319CS..Iπ-helixtrans-58.9-42.9175.8-70.8176.2000110.8C178 I179 L186 V187 A204 V206 A214 Y216 L350C178-L182 WeakPolarHBondContact O-CB 3.42Å; C178-L182 VanDerWaalsContact O-CG 3.23Å; C178-L182 WeakPolarHBondContact O-CG 3.29Å; C178-L182 PolarHBondContact O-N 3.38Å; I179-L182 PolarHBondContact O-N 3.2Å; L182-L186 HydrophobicContact CD2-CD2 3.5Å; L182-L186 VanDerWaalsContact CD2-CD2 3.5Å; L182-V187 WeakPolarHBondContact O-CB 3.42Å; L182-V187 VanDerWaalsContact O-CG2 3.22Å; L182-V187 WeakPolarHBondContact O-CG2 3.44Å; L182-V187 PolarHBondContact O-N 3.36Å; L182-A204 HydrophobicContact CD2-CB 4.33Å; L182-V206 HydrophobicContact CD2-CG2 4.44Å; L182-A214 HydrophobicContact CD1-CB 3.81Å; L182-Y216 HydrophobicContact CB-CG 4.46Å; L182-L350 HydrophobicContact CD2-CD1 4.23Å
183E93.4Very high91.9Very high70 Ų7062.7 Ų62.733%0.32730%0.3SS..Iπ-helixtrans-67.3-63.3177.2-179.1175.4-162.600112.2I179 E180 F181 Q188 Y216I179-E183 PolarHBondContact O-N 3.49Å; E180-E183 PolarHBondContact O-N 3.42Å; F181-E183 VanDerWaalsContact C-N 3.3Å; F181-E183 PolarHBondContact O-N 2.89Å; E183-Q188 WeakPolarHBondContact O-CB 3.11Å; E183-Q188 PolarHBondContact O-N 3.28Å; E183-Y216 HydrophobicContact CB-CD2 3.59Å; E183-Y216 HydrophobicContact CB-CE2 3.42Å; E183-Y216 VanDerWaalsContact CB-CE2 3.42Å; E183-Y216 HydrophobicContact CB-CG 4.43Å; E183-Y216 HydrophobicContact CG-CD2 4.11Å; E183-Y216 HydrophobicContact CG-CE2 3.41Å; E183-Y216 VanDerWaalsContact CG-CE2 3.41Å
184R92.4Very high91.8Very high144 Ų14462.8 Ų62.854%0.54331%0.31SS..Iπ-helixtrans-82.1-27.3-163.7-62.7-174.8-176.9168.2-1.3113.8E180 Q188E180-R184 HydrophobicContact CG-CG 4.21Å; E180-R184 WeakPolarHBondContact O-CB 3.22Å; E180-R184 WeakPolarHBondContact O-CG 3.39Å; E180-R184 PolarHBondContact O-N 2.88Å; E180-R184 IonicContact OE1-CZ 3.42Å; E180-R184 IonicContact OE1-NE 3.8Å; E180-R184 IonicContact OE1-NH1 2.63Å; E180-R184 PolarHBondContact OE1-NH1 3.25Å; E180-R184 IonicContact OE2-NH1 3.94Å; R184-Q188 PolarHBondContact O-OE1 3.31Å
185R92.6Very high91.5Very high160 Ų16066.5 Ų66.560%0.60433%0.327SS*.Iπ-helixtrans-109.1-51.5-177.3-64.7-155.7178-147.20.7112F181 Q189 M485F181-R185 HydrophobicContact CD2-CB 3.84Å; F181-R185 HydrophobicContact CD2-CG 4.1Å; F181-R185 HydrophobicContact CE2-CB 3.85Å; F181-R185 HydrophobicContact CE2-CG 4.35Å; F181-R185 WeakPolarHBondContact O-CA 3.21Å; F181-R185 WeakPolarHBondContact O-CB 3.33Å; F181-R185 PolarHBondContact O-N 3.19Å; R185-Q189 WeakPolarHBondContact O-CB 3.35Å; R185-Q189 WeakPolarHBondContact O-CG 3.31Å; R185-Q189 PolarHBondContact O-N 3.4Å; R185-M485 HydrophobicContact CB-CE 4.13Å
186L94.1Very high91.2Very high1 Ų169.4 Ų69.41%0.00534%0.335CS..Iπ-helixtrans-74.8-69-174.6-172.868000111.5F181 L182 Q188 Q189 L190 L350 L352 A482 M485 V486F181-L186 PolarHBondContact O-N 2.81Å; L182-L186 HydrophobicContact CD2-CD2 3.5Å; L182-L186 VanDerWaalsContact CD2-CD2 3.5Å; L186-Q188 PolarHBondContact O-N 3.24Å; L186-Q189 PolarHBondContact O-N 3.14Å; L186-Q189 VanDerWaalsContact O-N 3.17Å; L186-L190 HydrophobicContact CD1-CD1 4.17Å; L186-L190 HydrophobicContact CG-CD1 3.98Å; L186-L190 VanDerWaalsContact O-CG 3.28Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.41Å; L186-L350 HydrophobicContact CD2-CD1 4.16Å; L186-L350 HydrophobicContact CD2-CD2 4.14Å; L186-L352 HydrophobicContact CD2-CD2 4.09Å; L186-A482 HydrophobicContact CD1-CB 3.75Å; L186-M485 HydrophobicContact CD1-SD 4.4Å; L186-V486 HydrophobicContact CD1-CG2 4.21Å; L186-V486 HydrophobicContact CD2-CG2 3.91Å
187V93.4Very high90.6Very high3 Ų364.5 Ų64.52%0.01832%0.318CS..Iπ-helixtrans-64.6-40.7-171.6173.60000111.5L182 Q189 L190 N191 V201 A204 Y216L182-V187 WeakPolarHBondContact O-CB 3.42Å; L182-V187 VanDerWaalsContact O-CG2 3.22Å; L182-V187 WeakPolarHBondContact O-CG2 3.44Å; L182-V187 PolarHBondContact O-N 3.36Å; V187-Q189 VanDerWaalsContact C-N 3.34Å; V187-Q189 PolarHBondContact O-N 3.26Å; V187-L190 PolarHBondContact O-N 3.39Å; V187-N191 WeakPolarHBondContact CG1-ND2 3.37Å; V187-N191 WeakPolarHBondContact O-CB 3.42Å; V187-N191 PolarHBondContact O-N 2.76Å; V187-V201 HydrophobicContact CG1-CB 4.22Å; V187-V201 HydrophobicContact CG1-CG1 4.29Å; V187-V201 HydrophobicContact CG2-CG1 3.96Å; V187-A204 HydrophobicContact CG2-CB 3.76Å; V187-Y216 HydrophobicContact CB-CD1 4.39Å; V187-Y216 HydrophobicContact CB-CE1 3.97Å; V187-Y216 HydrophobicContact CG1-CE1 3.82Å; V187-Y216 HydrophobicContact CG2-CD1 3.72Å; V187-Y216 HydrophobicContact CG2-CE1 3.77Å
188Q92.2Very high90Very high126 Ų12662.2 Ų62.259%0.58932%0.316SS*.Hα-helixtrans-60.5-42.1176.4-172.8173.9-3.500112.1E183 R184 L186 S192E183-Q188 WeakPolarHBondContact O-CB 3.11Å; E183-Q188 PolarHBondContact O-N 3.28Å; R184-Q188 PolarHBondContact O-OE1 3.31Å; L186-Q188 PolarHBondContact O-N 3.24Å; Q188-S192 WeakPolarHBondContact O-CB 3.23Å; Q188-S192 PolarHBondContact O-N 3.27Å; Q188-S192 PolarHBondContact O-OG 3.41Å; Q188-S192 VanDerWaalsContact O-OG 3.13Å
189Q91.7Very high89.6Confident96 Ų9662.2 Ų62.245%0.44932%0.315SS..Hα-helixtrans-68.5-44.4176.9-74.1-176.1-2.400111.9R185 L186 V187 N191 S192 S193 M485R185-Q189 WeakPolarHBondContact O-CB 3.35Å; R185-Q189 WeakPolarHBondContact O-CG 3.31Å; R185-Q189 PolarHBondContact O-N 3.4Å; L186-Q189 PolarHBondContact O-N 3.14Å; L186-Q189 VanDerWaalsContact O-N 3.17Å; V187-Q189 VanDerWaalsContact C-N 3.34Å; V187-Q189 PolarHBondContact O-N 3.26Å; Q189-N191 PolarHBondContact O-N 3.42Å; Q189-S192 WeakPolarHBondContact CA-OG 3.37Å; Q189-S192 PolarHBondContact O-N 3.39Å; Q189-S192 PolarHBondContact O-OG 3.31Å; Q189-S193 PolarHBondContact O-N 3.12Å; Q189-S193 VanDerWaalsContact O-N 3.08Å; Q189-M485 PolarHBondContact OE1-SD 3.48Å; Q189-M485 VanDerWaalsContact OE1-SD 3.33Å
190L92.3Very high89.4Confident5 Ų562.4 Ų62.43%0.02632%0.315CS..Hα-helixtrans-56.9-50.8176.7-67.2178000111.2L186 V187 S192 S193 V201 L352 L478 A482L186-L190 HydrophobicContact CD1-CD1 4.17Å; L186-L190 HydrophobicContact CG-CD1 3.98Å; L186-L190 VanDerWaalsContact O-CG 3.28Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.41Å; V187-L190 PolarHBondContact O-N 3.39Å; L190-S192 VanDerWaalsContact C-N 3.33Å; L190-S192 PolarHBondContact O-N 3.28Å; L190-S193 WeakPolarHBondContact O-CB 3.24Å; L190-S193 PolarHBondContact O-N 2.89Å; L190-V201 HydrophobicContact CB-CG2 4Å; L190-V201 HydrophobicContact CD1-CG2 3.9Å; L190-L352 HydrophobicContact CD1-CD1 3.87Å; L190-L478 HydrophobicContact CD2-CD1 3.55Å; L190-L478 HydrophobicContact CD2-CD2 3.82Å; L190-L478 HydrophobicContact CD2-CG 3.36Å; L190-A482 HydrophobicContact CD1-CB 4.47Å; L190-A482 HydrophobicContact CD2-CB 4.23Å
191N92.7Very high89.4Confident30 Ų3058.5 Ų58.516%0.1630%0.297CS..Hα-helixtrans-73.1-21.8-178.9-74-22000113.7V187 Q189 R196 V201V187-N191 WeakPolarHBondContact CG1-ND2 3.37Å; V187-N191 WeakPolarHBondContact O-CB 3.42Å; V187-N191 PolarHBondContact O-N 2.76Å; Q189-N191 PolarHBondContact O-N 3.42Å; N191-R196 WeakPolarHBondContact O-CD 3.33Å; N191-R196 PolarHBondContact O-NE 2.95Å; N191-R196 PolarHBondContact O-NH1 3.47Å; N191-V201 PolarHBondContact ND2-O 3.29Å; N191-V201 PolarHBondContact OD1-N 3.1Å
192S91.2Very high89.3Confident91 Ų9157.8 Ų57.864%0.63629%0.294SS*.Hα-helixtrans-81.9-15.617373.20000113.7Q188 Q189 L190Q188-S192 WeakPolarHBondContact O-CB 3.23Å; Q188-S192 PolarHBondContact O-N 3.27Å; Q188-S192 PolarHBondContact O-OG 3.41Å; Q188-S192 VanDerWaalsContact O-OG 3.13Å; Q189-S192 WeakPolarHBondContact CA-OG 3.37Å; Q189-S192 PolarHBondContact O-N 3.39Å; Q189-S192 PolarHBondContact O-OG 3.31Å; L190-S192 VanDerWaalsContact C-N 3.33Å; L190-S192 PolarHBondContact O-N 3.28Å
193S90Very high89.3Confident19 Ų1957.7 Ų57.713%0.13329%0.294CS..  trans-75.6139.6-177.4-169.50000111.6Q189 L190 E195 R196Q189-S193 PolarHBondContact O-N 3.12Å; Q189-S193 VanDerWaalsContact O-N 3.08Å; L190-S193 WeakPolarHBondContact O-CB 3.24Å; L190-S193 PolarHBondContact O-N 2.89Å; S193-E195 PolarHBondContact O-N 3.24Å; S193-E195 PolarHBondContact OG-N 3.42Å; S193-R196 WeakPolarHBondContact O-CD 3Å; S193-R196 VanDerWaalsContact O-CG 3.26Å; S193-R196 WeakPolarHBondContact O-CG 3.27Å; S193-R196 PolarHBondContact O-N 3.48Å
194V83.8Confident89.4Confident143 Ų14354.4 Ų54.487%0.86728%0.278SS*.G310 helixtrans-68.6-20.4168.4-74.40000112.6R196V194-R196 PolarHBondContact O-N 3.06Å
195E83.2Confident89.6Confident85 Ų8547.5 Ų47.540%0.39725%0.252SS..G310 helixtrans-78.2-0.3179.3-65.3175.7-147.900113.8S193 A197 S475 R481S193-E195 PolarHBondContact O-N 3.24Å; S193-E195 PolarHBondContact OG-N 3.42Å; E195-A197 PolarHBondContact O-N 2.84Å; E195-S475 PolarHBondContact O-N 2.8Å; E195-S475 PolarHBondContact OE2-OG 2.99Å; E195-R481 VanDerWaalsContact CD-NH2 3.29Å; E195-R481 IonicContact OE1-NH2 2.75Å; E195-R481 PolarHBondContact OE1-NH2 2.82Å; E195-R481 IonicContact OE2-NH2 3.37Å; E195-R481 PolarHBondContact OE2-NH2 3Å
196R81.9Confident89.8Confident81 Ų8140 Ų4031%0.30622%0.224SC..G310 helixtrans-72.9-10.4177.478-173.4176.3147.2-5113.8N191 S193 V194 G198 E199 L474 L478N191-R196 WeakPolarHBondContact O-CD 3.33Å; N191-R196 PolarHBondContact O-NE 2.95Å; N191-R196 PolarHBondContact O-NH1 3.47Å; S193-R196 WeakPolarHBondContact O-CD 3Å; S193-R196 VanDerWaalsContact O-CG 3.26Å; S193-R196 WeakPolarHBondContact O-CG 3.27Å; S193-R196 PolarHBondContact O-N 3.48Å; V194-R196 PolarHBondContact O-N 3.06Å; R196-G198 PolarHBondContact O-N 2.96Å; R196-E199 WeakPolarHBondContact CD-O 3.37Å; R196-E199 WeakPolarHBondContact O-CB 3.45Å; R196-E199 PolarHBondContact O-N 3.01Å; R196-L474 HydrophobicContact CB-CD2 3.93Å; R196-L478 HydrophobicContact CB-CD2 4.31Å
197A78Confident89.8Confident32 Ų3240 Ų4026%0.26422%0.224SC..THydrogen-bonded Turntrans55.431.8170.700000114.4E195 E199 T471 H472 R473E195-A197 PolarHBondContact O-N 2.84Å; A197-E199 VanDerWaalsContact C-N 3.34Å; A197-T471 WeakPolarHBondContact CB-O 3.47Å; A197-T471 VanDerWaalsContact O-O 3.12Å; A197-H472 WeakPolarHBondContact O-CA 3.46Å; A197-H472 PolarHBondContact O-ND1 3.23Å; A197-R473 WeakPolarHBondContact CB-O 3.39Å
198G77.1Confident89.7Confident44 Ų4439.8 Ų39.845%0.45422%0.223SC..THydrogen-bonded Turntrans85.3-2.5-179.300000115.4R196R196-G198 PolarHBondContact O-N 2.96Å
199E84.8Confident89.7Confident6 Ų634.5 Ų34.53%0.02820%0.198CC..  trans-84.5130.2170.7-67.6-158.6160.500111.5R196 A197 S338 Y340 T354 H472 L474R196-E199 WeakPolarHBondContact CD-O 3.37Å; R196-E199 WeakPolarHBondContact O-CB 3.45Å; R196-E199 PolarHBondContact O-N 3.01Å; A197-E199 VanDerWaalsContact C-N 3.34Å; E199-S338 PolarHBondContact OE1-OG 3.44Å; E199-Y340 VanDerWaalsContact CD-OH 3.23Å; E199-Y340 PolarHBondContact OE1-OH 3.48Å; E199-Y340 WeakPolarHBondContact OE2-CE2 3.39Å; E199-Y340 VanDerWaalsContact OE2-CZ 3.26Å; E199-Y340 PolarHBondContact OE2-OH 3.16Å; E199-T354 HydrophobicContact CB-CG2 4.26Å; E199-T354 PolarHBondContact OE2-OG1 3.26Å; E199-H472 WeakPolarHBondContact CG-O 3.29Å; E199-L474 HydrophobicContact CB-CD2 4.2Å
200E89.8Confident89.7Confident67 Ų6730.2 Ų30.231%0.31318%0.179SC..EExtended strand (participates in β ladder)trans-106.2120.7175.6-176.6-177.5-167.100109.5L202 T354 K355E200-L202 HydrophobicContact CG-CD2 4.42Å; E200-L202 PolarHBondContact O-N 3.47Å; E200-T354 CarbonylContact O-C 3.48Å; E200-T354 WeakPolarHBondContact O-CA 3.47Å; E200-T354 WeakPolarHBondContact O-CB 3.36Å; E200-K355 HydrophobicContact CB-CB 4.49Å; E200-K355 PolarHBondContact N-O 2.97Å; E200-K355 PolarHBondContact O-N 3.23Å
201V93Very high89.6Confident0 Ų030.6 Ų30.60%018%0.18CC..EExtended strand (participates in β ladder)trans-68.4116.5174.2-176.60000109V187 L190 N191 L352 T354 L474V187-V201 HydrophobicContact CG1-CB 4.22Å; V187-V201 HydrophobicContact CG1-CG1 4.29Å; V187-V201 HydrophobicContact CG2-CG1 3.96Å; L190-V201 HydrophobicContact CB-CG2 4Å; L190-V201 HydrophobicContact CD1-CG2 3.9Å; N191-V201 PolarHBondContact ND2-O 3.29Å; N191-V201 PolarHBondContact OD1-N 3.1Å; V201-L352 HydrophobicContact CG1-CD2 4.42Å; V201-T354 HydrophobicContact CB-CG2 4.46Å; V201-T354 HydrophobicContact CG2-CG2 3.88Å; V201-L474 HydrophobicContact CG2-CD1 4.31Å
202L92.6Very high89.6Confident9 Ų929.2 Ų29.25%0.04717%0.173CC..EExtended strand (participates in β ladder)trans-97.5-45.8178.9-69.2-172.9000112E200 S218 A221 L353 K355E200-L202 HydrophobicContact CG-CD2 4.42Å; E200-L202 PolarHBondContact O-N 3.47Å; L202-S218 PolarHBondContact O-N 2.61Å; L202-A221 HydrophobicContact CB-CB 3.85Å; L202-A221 HydrophobicContact CD1-CB 4.27Å; L202-A221 HydrophobicContact CD2-CB 4.18Å; L202-A221 HydrophobicContact CG-CB 4.33Å; L202-L353 PolarHBondContact N-O 2.59Å; L202-K355 HydrophobicContact CD1-CB 3.68Å; L202-K355 HydrophobicContact CD1-CD 4.35Å; L202-K355 HydrophobicContact CD1-CG 4.26Å; L202-K355 HydrophobicContact CD2-CB 4.33Å; L202-K355 HydrophobicContact CG-CB 3.83Å
203H94.9Very high89.6Confident0 Ų025.1 Ų25.10%014%0.143CC..EExtended strand (participates in β ladder)trans-123.4142.7179.5-49.4-77.4000110.2F215 Y216 S217 A221 S222 L224 L353H203-F215 AromaticContact ND1-CZ 3.97Å; H203-Y216 WeakPolarHBondContact CA-O 3.35Å; H203-S217 PolarHBondContact CE1-OG 3.43Å; H203-S217 WeakPolarHBondContact ND1-CB 3.32Å; H203-S217 PolarHBondContact ND1-OG 2.76Å; H203-A221 VanDerWaalsContact CE1-CB 3.41Å; H203-A221 WeakPolarHBondContact CE1-CB 3.47Å; H203-S222 PolarHBondContact CE1-O 2.89Å; H203-L224 HydrophobicContact CB-CD1 4.3Å; H203-L353 HydrophobicContact CB-CB 4.04Å; H203-L353 HydrophobicContact CB-CD1 4.05Å; H203-L353 HydrophobicContact CB-CG 4.37Å; H203-L353 PolarHBondContact N-O 2.7Å; H203-L353 PolarHBondContact O-N 2.9Å
204A96.4Very high89.7Confident0 Ų024.2 Ų24.20%014%0.137CC..EExtended strand (participates in β ladder)trans-139.5128.8171.900000108.2L182 V187 Y216 V351 L352L182-A204 HydrophobicContact CD2-CB 4.33Å; V187-A204 HydrophobicContact CG2-CB 3.76Å; A204-Y216 HydrophobicContact CB-CD1 4.48Å; A204-Y216 PolarHBondContact N-O 3.42Å; A204-Y216 PolarHBondContact O-N 2.94Å; A204-V351 WeakPolarHBondContact CA-O 3.43Å; A204-L352 HydrophobicContact CB-CD2 3.59Å
205F96Very high90.2Very high0 Ų019.3 Ų19.30%010%0.104CC..EExtended strand (participates in β ladder)trans-147150.7178.458.6-91.9000112.5L207 L212 A214 F215 L229 L232 V351 L353F205-L207 HydrophobicContact CD2-CD1 4.47Å; F205-L207 HydrophobicContact CD2-CD2 4.15Å; F205-L207 HydrophobicContact CD2-CG 3.96Å; F205-L207 HydrophobicContact CE2-CD1 3.97Å; F205-L207 HydrophobicContact CE2-CD2 4.2Å; F205-L207 HydrophobicContact CE2-CG 3.96Å; F205-L212 HydrophobicContact CB-CD2 3.94Å; F205-L212 HydrophobicContact CD2-CD2 3.58Å; F205-L212 HydrophobicContact CE2-CD2 4.36Å; F205-L212 HydrophobicContact CG-CD2 4.02Å; F205-A214 CarbonylContact C-O 3.6Å; F205-A214 WeakPolarHBondContact CA-O 3.38Å; F205-A214 WeakPolarHBondContact CB-O 3.35Å; F205-F215 HydrophobicContact CB-CB 4.19Å; F205-F215 HydrophobicContact CB-CD2 3.56Å; F205-F215 HydrophobicContact CB-CE2 4.36Å; F205-F215 HydrophobicContact CB-CG 4.29Å; F205-F215 AromaticContact CD1-CD2 3.83Å; F205-F215 HydrophobicContact CD1-CD2 3.83Å; F205-F215 AromaticContact CD1-CE2 3.78Å; F205-F215 HydrophobicContact CD1-CE2 3.78Å; F205-F215 HydrophobicContact CE1-CE2 4.4Å; F205-F215 AromaticContact CG-CD2 3.88Å; F205-F215 HydrophobicContact CG-CD2 3.88Å; F205-F215 HydrophobicContact CG-CE2 4.3Å; F205-L229 HydrophobicContact CE1-CD2 4.48Å; F205-L232 HydrophobicContact CZ-CB 4.45Å; F205-L232 HydrophobicContact CZ-CD1 4.42Å; F205-V351 HydrophobicContact CD1-CB 4.3Å; F205-V351 HydrophobicContact CD2-CB 3.9Å; F205-V351 HydrophobicContact CD2-CG2 4.23Å; F205-V351 HydrophobicContact CE1-CB 3.9Å; F205-V351 HydrophobicContact CE1-CG1 3.74Å; F205-V351 HydrophobicContact CE2-CB 3.48Å; F205-V351 VanDerWaalsContact CE2-CB 3.48Å; F205-V351 HydrophobicContact CE2-CG1 3.93Å; F205-V351 HydrophobicContact CE2-CG2 3.64Å; F205-V351 HydrophobicContact CG-CB 4.3Å; F205-V351 HydrophobicContact CZ-CB 3.49Å; F205-V351 VanDerWaalsContact CZ-CB 3.49Å; F205-V351 HydrophobicContact CZ-CG1 3.4Å; F205-V351 HydrophobicContact CZ-CG2 4.01Å; F205-V351 PolarHBondContact N-O 3.45Å; F205-V351 PolarHBondContact O-N 3.4Å; F205-L353 HydrophobicContact CE1-CD1 4.22Å; F205-L353 HydrophobicContact CE1-CG 4.43Å
206V95.8Very high90.7Very high2 Ų216.7 Ų16.71%0.0129%0.091CC..EExtended strand (participates in β ladder)trans-109.8122.7179.2-179.30000108.4L182 L213 A214 L344 I348 T349 L350 V486 L490L182-V206 HydrophobicContact CD2-CG2 4.44Å; V206-L213 HydrophobicContact CB-CB 4.31Å; V206-L213 HydrophobicContact CB-CD2 4.49Å; V206-L213 HydrophobicContact CG1-CB 4.33Å; V206-L213 HydrophobicContact CG1-CD2 4.09Å; V206-L213 PolarHBondContact O-N 2.89Å; V206-A214 PolarHBondContact N-O 3.49Å; V206-L344 HydrophobicContact CG1-CD1 4.39Å; V206-I348 HydrophobicContact CG1-CG2 3.96Å; V206-T349 WeakPolarHBondContact CA-O 3.12Å; V206-L350 HydrophobicContact CG2-CD1 4.01Å; V206-V486 HydrophobicContact CG2-CG1 4.26Å; V206-L490 HydrophobicContact CG1-CD1 4.12Å
207L94.3Very high91.2Very high0 Ų014.9 Ų14.90%09%0.091CC..EExtended strand (participates in β ladder)trans-97.8135.8173.3-65.7173.1000109.6F205 K211 L212 I233 A236 I348 T349 V351F205-L207 HydrophobicContact CD2-CD1 4.47Å; F205-L207 HydrophobicContact CD2-CD2 4.15Å; F205-L207 HydrophobicContact CD2-CG 3.96Å; F205-L207 HydrophobicContact CE2-CD1 3.97Å; F205-L207 HydrophobicContact CE2-CD2 4.2Å; F205-L207 HydrophobicContact CE2-CG 3.96Å; L207-K211 WeakPolarHBondContact CA-O 3.28Å; L207-L212 HydrophobicContact CD2-CD2 3.62Å; L207-L212 HydrophobicContact CD2-CG 4.16Å; L207-I233 HydrophobicContact CD1-CG1 4.04Å; L207-I233 HydrophobicContact CD2-CD1 4.2Å; L207-I233 HydrophobicContact CD2-CG1 3.82Å; L207-A236 HydrophobicContact CD1-CB 3.95Å; L207-I348 CarbonylContact O-C 3.57Å; L207-I348 VanDerWaalsContact O-CA 3.29Å; L207-I348 WeakPolarHBondContact O-CA 3.42Å; L207-T349 PolarHBondContact N-O 2.7Å; L207-T349 PolarHBondContact O-N 3.31Å; L207-V351 HydrophobicContact CD1-CG2 4.03Å
208V93.1Very high91.8Very high0 Ų014 Ų140%08%0.083CC..EExtended strand (participates in β ladder)trans-117.4108.3166.2-176.90000106.2L169 T210 K211 L213 G347 I348 L497 L498 S501L169-V208 HydrophobicContact CD1-CB 3.71Å; L169-V208 HydrophobicContact CD1-CG1 4.16Å; L169-V208 HydrophobicContact CD1-CG2 3.74Å; V208-T210 PolarHBondContact O-N 2.93Å; V208-K211 PolarHBondContact N-O 3.44Å; V208-K211 PolarHBondContact O-N 3.41Å; V208-L213 HydrophobicContact CG2-CB 4.09Å; V208-L213 HydrophobicContact CG2-CD2 4.42Å; V208-G347 CarbonylContact C-O 3.56Å; V208-G347 VanDerWaalsContact CA-O 3.29Å; V208-G347 WeakPolarHBondContact CA-O 3.28Å; V208-I348 HydrophobicContact CG1-CG1 4.25Å; V208-I348 HydrophobicContact CG2-CG1 4.35Å; V208-I348 HydrophobicContact CG2-CG2 4.35Å; V208-L497 HydrophobicContact CG1-CB 4.27Å; V208-L497 HydrophobicContact CG2-CB 4.26Å; V208-L498 HydrophobicContact CG1-CD2 4.41Å; V208-S501 WeakPolarHBondContact CG1-OG 3.5Å
209H91.3Very high92.2Very high14 Ų1422.9 Ų22.97%0.06510%0.103CC..THydrogen-bonded Turntrans51.8-115.9-158.4-57.281.2000108.6Q237 S242 G347 S501H209-Q237 VanDerWaalsContact C-NE2 3.34Å; H209-Q237 PolarHBondContact O-NE2 3.37Å; H209-S242 WeakPolarHBondContact CD2-CB 3.3Å; H209-G347 PolarHBondContact N-O 2.87Å; H209-S501 PolarHBondContact CE1-OG 3.25Å; H209-S501 VanDerWaalsContact CE1-OG 3.28Å; H209-S501 PolarHBondContact ND1-OG 3.19Å
210T91Very high91.9Very high7 Ų729.6 Ų29.64%0.04314%0.139CC..THydrogen-bonded Turntrans-92.5-8.7177.4490000114L154 D158 F161 V208 I233 Q237L154-T210 HydrophobicContact CD1-CG2 4.24Å; L154-T210 HydrophobicContact CD2-CG2 3.52Å; L154-T210 HydrophobicContact CG-CG2 4.47Å; D158-T210 VanDerWaalsContact OD2-CB 3.27Å; D158-T210 WeakPolarHBondContact OD2-CB 3.49Å; D158-T210 PolarHBondContact OD2-OG1 2.88Å; F161-T210 HydrophobicContact CE2-CG2 3.77Å; V208-T210 PolarHBondContact O-N 2.93Å; T210-I233 HydrophobicContact CG2-CG2 4.24Å; T210-Q237 HydrophobicContact CG2-CG 4.24Å
211K90.6Very high91.7Very high13 Ų1327.3 Ų27.36%0.05713%0.131CC..EExtended strand (participates in β ladder)trans-95.9135.6-166.8-66.7163.2179.2143.10111.5E167 L169 L207 V208 L213 S501 N504 M507E167-K211 HydrophobicContact CB-CG 4.1Å; E167-K211 WeakPolarHBondContact OE2-CE 3.43Å; E167-K211 IonicContact OE2-NZ 2.73Å; L169-K211 HydrophobicContact CD2-CB 3.95Å; L169-K211 HydrophobicContact CD2-CD 3.88Å; L169-K211 HydrophobicContact CD2-CG 4.47Å; L169-K211 HydrophobicContact CG-CB 3.92Å; L207-K211 WeakPolarHBondContact CA-O 3.28Å; V208-K211 PolarHBondContact N-O 3.44Å; V208-K211 PolarHBondContact O-N 3.41Å; K211-L213 PolarHBondContact O-N 3.16Å; K211-S501 PolarHBondContact NZ-O 2.85Å; K211-N504 WeakPolarHBondContact CE-OD1 3.49Å; K211-N504 PolarHBondContact NZ-OD1 3.13Å; K211-M507 HydrophobicContact CB-CE 4.34Å; K211-M507 HydrophobicContact CD-CE 3.51Å; K211-M507 HydrophobicContact CD-SD 4.18Å; K211-M507 HydrophobicContact CG-CE 3.71Å
212L92.1Very high91.3Very high1 Ų127.6 Ų27.61%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-74.6118.3175.6-75.6174.9000110.7V166 E167 R168 L169 F205 L207 F215V166-L212 HydrophobicContact CG1-CD1 3.4Å; V166-L212 HydrophobicContact CG1-CG 4.05Å; E167-L212 PolarHBondContact O-N 2.97Å; R168-L212 CarbonylContact C-O 3.57Å; R168-L212 VanDerWaalsContact CA-O 3.29Å; R168-L212 WeakPolarHBondContact CA-O 3.35Å; R168-L212 HydrophobicContact CG-CB 3.74Å; R168-L212 HydrophobicContact CG-CD1 4.46Å; L169-L212 PolarHBondContact N-O 3.19Å; F205-L212 HydrophobicContact CB-CD2 3.94Å; F205-L212 HydrophobicContact CD2-CD2 3.58Å; F205-L212 HydrophobicContact CE2-CD2 4.36Å; F205-L212 HydrophobicContact CG-CD2 4.02Å; L207-L212 HydrophobicContact CD2-CD2 3.62Å; L207-L212 HydrophobicContact CD2-CG 4.16Å; L212-F215 HydrophobicContact CD2-CD2 4.5Å
213L92.2Very high90.9Very high4 Ų433 Ų332%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-79.9-48.516817360.9000111.2L169 L174 C175 V206 V208 K211 L490 L497L169-L213 HydrophobicContact CD1-CB 4.41Å; L169-L213 HydrophobicContact CD1-CD1 4.37Å; L174-L213 HydrophobicContact CD2-CD1 4.25Å; L174-L213 HydrophobicContact CG-CD1 4.46Å; C175-L213 PolarHBondContact SG-O 2.85Å; V206-L213 HydrophobicContact CB-CB 4.31Å; V206-L213 HydrophobicContact CB-CD2 4.49Å; V206-L213 HydrophobicContact CG1-CB 4.33Å; V206-L213 HydrophobicContact CG1-CD2 4.09Å; V206-L213 PolarHBondContact O-N 2.89Å; V208-L213 HydrophobicContact CG2-CB 4.09Å; V208-L213 HydrophobicContact CG2-CD2 4.42Å; K211-L213 PolarHBondContact O-N 3.16Å; L213-L490 HydrophobicContact CD2-CD1 4.16Å; L213-L490 HydrophobicContact CD2-CD2 4.23Å; L213-L497 HydrophobicContact CD1-CD2 3.61Å; L213-L497 HydrophobicContact CD2-CD1 3.68Å; L213-L497 HydrophobicContact CD2-CD2 4.09Å; L213-L497 HydrophobicContact CG-CD2 4.43Å
214A92.5Very high90.6Very high1 Ų133.7 Ų33.71%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-147.5143.1-177.100000109.4C178 I179 L182 F205 V206C178-A214 HydrophobicContact CB-CB 3.49Å; C178-A214 VanDerWaalsContact CB-CB 3.49Å; I179-A214 HydrophobicContact CG1-CB 3.98Å; L182-A214 HydrophobicContact CD1-CB 3.81Å; F205-A214 CarbonylContact C-O 3.6Å; F205-A214 WeakPolarHBondContact CA-O 3.38Å; F205-A214 WeakPolarHBondContact CB-O 3.35Å; V206-A214 PolarHBondContact N-O 3.49Å
215F93.6Very high90.3Very high39 Ų3935 Ų3517%0.17117%0.173CC..EExtended strand (participates in β ladder)trans-140.1115.6179.2-179.8-90.5000108.8R168 H203 F205 L212 L224 L229R168-F215 VanDerWaalsContact NH2-CB 3.29Å; H203-F215 AromaticContact ND1-CZ 3.97Å; F205-F215 HydrophobicContact CB-CB 4.19Å; F205-F215 HydrophobicContact CB-CD2 3.56Å; F205-F215 HydrophobicContact CB-CE2 4.36Å; F205-F215 HydrophobicContact CB-CG 4.29Å; F205-F215 AromaticContact CD1-CD2 3.83Å; F205-F215 HydrophobicContact CD1-CD2 3.83Å; F205-F215 AromaticContact CD1-CE2 3.78Å; F205-F215 HydrophobicContact CD1-CE2 3.78Å; F205-F215 HydrophobicContact CE1-CE2 4.4Å; F205-F215 AromaticContact CG-CD2 3.88Å; F205-F215 HydrophobicContact CG-CD2 3.88Å; F205-F215 HydrophobicContact CG-CE2 4.3Å; L212-F215 HydrophobicContact CD2-CD2 4.5Å; F215-L224 HydrophobicContact CE2-CD1 3.89Å; F215-L224 HydrophobicContact CZ-CD1 3.82Å; F215-L224 HydrophobicContact CZ-CG 4.38Å; F215-L229 HydrophobicContact CD2-CD2 4.38Å; F215-L229 HydrophobicContact CE2-CD2 3.78Å
216Y94.1Very high89.9Confident31 Ų3136.8 Ų36.812%0.12218%0.184CC..EExtended strand (participates in β ladder)trans-108.9139.1174169.3-93.4000109.8L182 E183 V187 H203 A204L182-Y216 HydrophobicContact CB-CG 4.46Å; E183-Y216 HydrophobicContact CB-CD2 3.59Å; E183-Y216 HydrophobicContact CB-CE2 3.42Å; E183-Y216 VanDerWaalsContact CB-CE2 3.42Å; E183-Y216 HydrophobicContact CB-CG 4.43Å; E183-Y216 HydrophobicContact CG-CD2 4.11Å; E183-Y216 HydrophobicContact CG-CE2 3.41Å; E183-Y216 VanDerWaalsContact CG-CE2 3.41Å; V187-Y216 HydrophobicContact CB-CD1 4.39Å; V187-Y216 HydrophobicContact CB-CE1 3.97Å; V187-Y216 HydrophobicContact CG1-CE1 3.82Å; V187-Y216 HydrophobicContact CG2-CD1 3.72Å; V187-Y216 HydrophobicContact CG2-CE1 3.77Å; H203-Y216 WeakPolarHBondContact CA-O 3.35Å; A204-Y216 HydrophobicContact CB-CD1 4.48Å; A204-Y216 PolarHBondContact N-O 3.42Å; A204-Y216 PolarHBondContact O-N 2.94Å
217S92.8Very high89.5Confident43 Ų4337.8 Ų37.830%0.30119%0.191SC..EExtended strand (participates in β ladder)trans-134131.2173.5-175.20000108.9H203H203-S217 PolarHBondContact CE1-OG 3.43Å; H203-S217 WeakPolarHBondContact ND1-CB 3.32Å; H203-S217 PolarHBondContact ND1-OG 2.76Å
218S89.9Confident89.5Confident14 Ų1437.8 Ų37.810%0.09819%0.191CC..  trans-66.4157.5176.985.30000111.1L202 N220 A221L202-S218 PolarHBondContact O-N 2.61Å; S218-N220 PolarHBondContact O-N 2.71Å; S218-A221 WeakPolarHBondContact O-CB 3.36Å; S218-A221 PolarHBondContact O-N 3.21Å; S218-A221 VanDerWaalsContact O-N 3.12Å; S218-A221 WeakPolarHBondContact OG-CB 3.35Å; S218-A221 PolarHBondContact OG-N 3.4Å
219R84.8Confident89.5Confident229 Ų22938.4 Ų38.486%0.86419%0.194SC*.THydrogen-bonded Turntrans-63.4-24.1-177.2-62.3-177.5-176-172.80.2114.1
220N79.8Confident89.6Confident147 Ų14738 Ų3879%0.78619%0.193SC*.THydrogen-bonded Turntrans-100.5-1.1-178.9-63.6-24.8000112.3S218S218-N220 PolarHBondContact O-N 2.71Å
221A84.8Confident89.8Confident19 Ų1937.9 Ų37.916%0.15719%0.193CC..SBendtrans-80.1150.4177.300000110.8L202 H203 S218L202-A221 HydrophobicContact CB-CB 3.85Å; L202-A221 HydrophobicContact CD1-CB 4.27Å; L202-A221 HydrophobicContact CD2-CB 4.18Å; L202-A221 HydrophobicContact CG-CB 4.33Å; H203-A221 VanDerWaalsContact CE1-CB 3.41Å; H203-A221 WeakPolarHBondContact CE1-CB 3.47Å; S218-A221 WeakPolarHBondContact O-CB 3.36Å; S218-A221 PolarHBondContact O-N 3.21Å; S218-A221 VanDerWaalsContact O-N 3.12Å; S218-A221 WeakPolarHBondContact OG-CB 3.35Å; S218-A221 PolarHBondContact OG-N 3.4Å
222S83.9Confident90Very high6 Ų637.3 Ų37.34%0.04219%0.19CC..PPolyproline II helixtrans-71.6156.8170.545.70000111.4H203 L224 V325 L326H203-S222 PolarHBondContact CE1-O 2.89Å; S222-L224 PolarHBondContact O-N 3.3Å; S222-V325 WeakPolarHBondContact OG-CA 3.33Å; S222-V325 WeakPolarHBondContact OG-CG2 3.48Å; S222-L326 VanDerWaalsContact CB-N 3.26Å
223I86Confident90.2Very high124 Ų12437.4 Ų37.464%0.63619%0.19SC*.PPolyproline II helixtrans-69.7127.1170.3-60.9168.7000107.8
224L88.8Confident90.3Very high13 Ų1337.2 Ų37.27%0.06819%0.19CC..PPolyproline II helixtrans-76.2127.5170.5-65.7179.1000109.4H203 F215 S222 L229 L232 L323 L353H203-L224 HydrophobicContact CB-CD1 4.3Å; F215-L224 HydrophobicContact CE2-CD1 3.89Å; F215-L224 HydrophobicContact CZ-CD1 3.82Å; F215-L224 HydrophobicContact CZ-CG 4.38Å; S222-L224 PolarHBondContact O-N 3.3Å; L224-L229 HydrophobicContact CB-CD1 4.48Å; L224-L229 HydrophobicContact CB-CD2 4.21Å; L224-L229 HydrophobicContact CB-CG 4.03Å; L224-L229 HydrophobicContact CD1-CD2 3.79Å; L224-L229 HydrophobicContact CD1-CG 4.49Å; L224-L232 HydrophobicContact CD1-CD1 4.49Å; L224-L323 HydrophobicContact CD2-CD1 3.91Å; L224-L353 HydrophobicContact CD1-CD1 3.63Å; L224-L353 HydrophobicContact CD2-CD1 4.35Å
225T88.6Confident90.4Very high28 Ų2837.3 Ų37.317%0.17219%0.19CC..PPolyproline II helixtrans-67.9154.2175.564.90000110.4S227 D228 L229 E324T225-S227 PolarHBondContact O-N 3.47Å; T225-S227 PolarHBondContact OG1-OG 2.84Å; T225-S227 VanDerWaalsContact OG1-OG 3.07Å; T225-D228 PolarHBondContact O-N 3.46Å; T225-D228 WeakPolarHBondContact OG1-CB 3.42Å; T225-D228 PolarHBondContact OG1-N 3.35Å; T225-D228 VanDerWaalsContact OG1-N 3.09Å; T225-D228 PolarHBondContact OG1-OD2 3.48Å; T225-L229 PolarHBondContact O-N 3.44Å; T225-E324 HydrophobicContact CG2-CB 4.35Å; T225-E324 WeakPolarHBondContact CG2-OE1 3.33Å
226P87.7Confident90.4Very high38 Ų3835.5 Ų35.525%0.24718%0.182CC..Hα-helixtrans-55.4-33.1172-25.734.1000112.9V166 L229 L230 F512V166-P226 HydrophobicContact CG2-CB 4.22Å; P226-L229 PolarHBondContact O-N 2.94Å; P226-L230 WeakPolarHBondContact O-CB 3.35Å; P226-L230 WeakPolarHBondContact O-CG 3.35Å; P226-L230 PolarHBondContact O-N 3.36Å; P226-F512 HydrophobicContact CG-CB 3.79Å
227S88.7Confident90.3Very high22 Ų2234.3 Ų34.315%0.15418%0.178CC..Hα-helixtrans-70-39.5177.665.80000113.6T225 A231 F515T225-S227 PolarHBondContact O-N 3.47Å; T225-S227 PolarHBondContact OG1-OG 2.84Å; T225-S227 VanDerWaalsContact OG1-OG 3.07Å; S227-A231 WeakPolarHBondContact O-CB 3.39Å; S227-A231 PolarHBondContact O-N 3.08Å; S227-F515 VanDerWaalsContact CA-CE2 3.4Å; S227-F515 VanDerWaalsContact CB-CE2 3.4Å
228D92.7Very high90.3Very high0 Ų033.3 Ų33.30%017%0.169CC..Hα-helixtrans-62.2-46.3170.5-68.8-33.4000110.8K109 T225 L230 A231 L232 L323 E324K109-D228 VanDerWaalsContact CE-OD1 3.28Å; K109-D228 WeakPolarHBondContact CE-OD1 2.92Å; K109-D228 IonicContact NZ-OD1 2.68Å; K109-D228 PolarHBondContact NZ-OD1 3.44Å; T225-D228 PolarHBondContact O-N 3.46Å; T225-D228 WeakPolarHBondContact OG1-CB 3.42Å; T225-D228 PolarHBondContact OG1-N 3.35Å; T225-D228 VanDerWaalsContact OG1-N 3.09Å; T225-D228 PolarHBondContact OG1-OD2 3.48Å; D228-L230 PolarHBondContact O-N 2.9Å; D228-A231 PolarHBondContact O-N 2.88Å; D228-L232 WeakPolarHBondContact O-CB 3.46Å; D228-L232 WeakPolarHBondContact O-CD1 3.27Å; D228-L232 WeakPolarHBondContact O-CG 3.42Å; D228-L232 PolarHBondContact O-N 2.98Å; D228-L323 HydrophobicContact CB-CD2 4.1Å; D228-E324 PolarHBondContact OD2-N 2.9Å
229L93.7Very high90.2Very high13 Ų1334.4 Ų34.47%0.06817%0.173CC..Hα-helixtrans-61.8-45.8179.3-75.3174.1000112.6V166 F205 F215 L224 T225 P226 L232 I233V166-L229 HydrophobicContact CG1-CD1 4.48Å; V166-L229 HydrophobicContact CG2-CB 3.8Å; V166-L229 HydrophobicContact CG2-CD1 4.16Å; F205-L229 HydrophobicContact CE1-CD2 4.48Å; F215-L229 HydrophobicContact CD2-CD2 4.38Å; F215-L229 HydrophobicContact CE2-CD2 3.78Å; L224-L229 HydrophobicContact CB-CD1 4.48Å; L224-L229 HydrophobicContact CB-CD2 4.21Å; L224-L229 HydrophobicContact CB-CG 4.03Å; L224-L229 HydrophobicContact CD1-CD2 3.79Å; L224-L229 HydrophobicContact CD1-CG 4.49Å; T225-L229 PolarHBondContact O-N 3.44Å; P226-L229 PolarHBondContact O-N 2.94Å; L229-L232 PolarHBondContact O-N 3.32Å; L229-I233 VanDerWaalsContact O-CG1 3.22Å; L229-I233 WeakPolarHBondContact O-CG1 3.47Å; L229-I233 PolarHBondContact O-N 3.5Å
230L93.4Very high90.5Very high7 Ų726 Ų264%0.03714%0.141CC..Hα-helixtrans-63.8-41.9177.5-72.6170.2000111.4F161 E164 V166 P226 D228 L232 I233 V234 F515F161-L230 HydrophobicContact CD1-CD2 4.25Å; F161-L230 HydrophobicContact CE1-CB 4.36Å; F161-L230 HydrophobicContact CE1-CD2 3.82Å; F161-L230 HydrophobicContact CE2-CD2 4.33Å; F161-L230 HydrophobicContact CZ-CD2 3.87Å; E164-L230 HydrophobicContact CB-CD1 4.31Å; V166-L230 HydrophobicContact CG2-CD2 4.27Å; V166-L230 HydrophobicContact CG2-CG 4.01Å; P226-L230 WeakPolarHBondContact O-CB 3.35Å; P226-L230 WeakPolarHBondContact O-CG 3.35Å; P226-L230 PolarHBondContact O-N 3.36Å; D228-L230 PolarHBondContact O-N 2.9Å; L230-L232 VanDerWaalsContact C-N 3.33Å; L230-L232 PolarHBondContact O-N 3.31Å; L230-I233 HydrophobicContact CD2-CD1 4.47Å; L230-I233 PolarHBondContact O-N 2.86Å; L230-V234 WeakPolarHBondContact O-CG2 3.25Å; L230-V234 PolarHBondContact O-N 3.31Å; L230-F515 HydrophobicContact CB-CE2 4.48Å; L230-F515 HydrophobicContact CD1-CD2 4.29Å; L230-F515 HydrophobicContact CD1-CE2 3.66Å; L230-F515 HydrophobicContact CD1-CZ 4.38Å
231A95.1Very high90.7Very high4 Ų423.1 Ų23.13%0.03313%0.131CC..Hα-helixtrans-60.5-43174.900000112K109 M110 V113 S227 D228 I233 V234 M235K109-A231 HydrophobicContact CG-CB 4.47Å; M110-A231 HydrophobicContact CE-CB 4.11Å; M110-A231 HydrophobicContact SD-CB 4.18Å; V113-A231 HydrophobicContact CG2-CB 4.11Å; S227-A231 WeakPolarHBondContact O-CB 3.39Å; S227-A231 PolarHBondContact O-N 3.08Å; D228-A231 PolarHBondContact O-N 2.88Å; A231-I233 PolarHBondContact O-N 3.37Å; A231-V234 PolarHBondContact O-N 2.81Å; A231-M235 WeakPolarHBondContact O-CG 3.4Å; A231-M235 PolarHBondContact O-N 3.34Å
232L95.8Very high90.1Very high0 Ų023.3 Ų23.30%013%0.131CC..Hα-helixtrans-64.2-37.8175.2-68.1168.5000112.3F205 L224 D228 L229 L230 M235 A236 V321 L323 M339 L353F205-L232 HydrophobicContact CZ-CB 4.45Å; F205-L232 HydrophobicContact CZ-CD1 4.42Å; L224-L232 HydrophobicContact CD1-CD1 4.49Å; D228-L232 WeakPolarHBondContact O-CB 3.46Å; D228-L232 WeakPolarHBondContact O-CD1 3.27Å; D228-L232 WeakPolarHBondContact O-CG 3.42Å; D228-L232 PolarHBondContact O-N 2.98Å; L229-L232 PolarHBondContact O-N 3.32Å; L230-L232 VanDerWaalsContact C-N 3.33Å; L230-L232 PolarHBondContact O-N 3.31Å; L232-M235 PolarHBondContact O-N 2.96Å; L232-A236 WeakPolarHBondContact O-CB 3.23Å; L232-A236 PolarHBondContact O-N 3.27Å; L232-V321 HydrophobicContact CD2-CB 4.44Å; L232-V321 HydrophobicContact CD2-CG1 4.25Å; L232-V321 HydrophobicContact CD2-CG2 4.17Å; L232-L323 HydrophobicContact CD1-CD1 4.13Å; L232-L323 HydrophobicContact CD1-CD2 4.43Å; L232-L323 HydrophobicContact CD2-CD2 4.32Å; L232-L323 HydrophobicContact CG-CD2 4.41Å; L232-M339 HydrophobicContact CB-CE 4.08Å; L232-M339 HydrophobicContact CD2-CE 3.92Å; L232-M339 HydrophobicContact CD2-CG 4.23Å; L232-M339 HydrophobicContact CD2-SD 3.51Å; L232-M339 VanDerWaalsContact CD2-SD 3.51Å; L232-M339 WeakPolarHBondContact O-CE 3.26Å; L232-L353 HydrophobicContact CD1-CD1 3.76Å; L232-L353 HydrophobicContact CD1-CD2 4.4Å; L232-L353 HydrophobicContact CD2-CD2 4.13Å
233I94.8Very high89.1Confident3 Ų327.6 Ų27.62%0.01515%0.153CC..Hα-helixtrans-65.7-44.2175.4-66.8161.7000110.4F161 V166 L207 T210 L229 L230 A231 M235 A236 Q237F161-I233 HydrophobicContact CE2-CG2 4.21Å; F161-I233 HydrophobicContact CZ-CB 4.17Å; F161-I233 HydrophobicContact CZ-CG2 3.72Å; V166-I233 HydrophobicContact CG1-CD1 4.39Å; L207-I233 HydrophobicContact CD1-CG1 4.04Å; L207-I233 HydrophobicContact CD2-CD1 4.2Å; L207-I233 HydrophobicContact CD2-CG1 3.82Å; T210-I233 HydrophobicContact CG2-CG2 4.24Å; L229-I233 VanDerWaalsContact O-CG1 3.22Å; L229-I233 WeakPolarHBondContact O-CG1 3.47Å; L229-I233 PolarHBondContact O-N 3.5Å; L230-I233 HydrophobicContact CD2-CD1 4.47Å; L230-I233 PolarHBondContact O-N 2.86Å; A231-I233 PolarHBondContact O-N 3.37Å; I233-M235 VanDerWaalsContact C-N 3.33Å; I233-M235 PolarHBondContact O-N 3.11Å; I233-A236 PolarHBondContact O-N 3.48Å; I233-Q237 HydrophobicContact CG2-CG 4.22Å; I233-Q237 WeakPolarHBondContact O-CB 3.35Å; I233-Q237 WeakPolarHBondContact O-CG 3.41Å; I233-Q237 PolarHBondContact O-N 3.26Å
234V95.1Very high87.7Confident1 Ų124.5 Ų24.51%0.00614%0.14CC..Hα-helixtrans-58.8-46.1174.6175.50000110.5M110 L147 T150 Y151 L154 F161 L230 A231 A236 Q237 N238M110-V234 HydrophobicContact CE-CB 3.77Å; M110-V234 HydrophobicContact CE-CG1 3.85Å; M110-V234 HydrophobicContact CE-CG2 3.87Å; L147-V234 HydrophobicContact CD2-CG1 4.09Å; L147-V234 WeakPolarHBondContact O-CG1 3.48Å; T150-V234 HydrophobicContact CG2-CG1 4.09Å; Y151-V234 HydrophobicContact CD2-CG2 4.47Å; L154-V234 HydrophobicContact CD1-CG2 4.29Å; F161-V234 HydrophobicContact CD1-CG2 4.42Å; F161-V234 HydrophobicContact CE1-CG2 3.56Å; F161-V234 HydrophobicContact CZ-CG2 4.2Å; L230-V234 WeakPolarHBondContact O-CG2 3.25Å; L230-V234 PolarHBondContact O-N 3.31Å; A231-V234 PolarHBondContact O-N 2.81Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.42Å; V234-Q237 PolarHBondContact O-N 2.97Å; V234-N238 VanDerWaalsContact O-CB 3.24Å; V234-N238 WeakPolarHBondContact O-CB 3.49Å; V234-N238 PolarHBondContact O-N 2.84Å
235M94.1Very high85.7Confident3 Ų329 Ų292%0.01517%0.165CC..Hα-helixtrans-61.5-41.6177.1-70.1-173.6-178.800112.2M110 V113 M114 L147 A231 L232 I233 N238 M239 V321 M339M110-M235 HydrophobicContact SD-CE 4.3Å; V113-M235 HydrophobicContact CB-CE 3.94Å; V113-M235 HydrophobicContact CG1-CE 3.46Å; V113-M235 VanDerWaalsContact CG1-CE 3.46Å; V113-M235 HydrophobicContact CG1-SD 4.04Å; M114-M235 HydrophobicContact CG-CE 3.8Å; L147-M235 HydrophobicContact CD2-CB 4.46Å; L147-M235 HydrophobicContact CD2-CG 3.92Å; A231-M235 WeakPolarHBondContact O-CG 3.4Å; A231-M235 PolarHBondContact O-N 3.34Å; L232-M235 PolarHBondContact O-N 2.96Å; I233-M235 VanDerWaalsContact C-N 3.33Å; I233-M235 PolarHBondContact O-N 3.11Å; M235-N238 PolarHBondContact O-N 3.38Å; M235-M239 WeakPolarHBondContact O-CG 3.43Å; M235-M239 PolarHBondContact O-N 3.42Å; M235-M239 VanDerWaalsContact O-N 3.08Å; M235-V321 HydrophobicContact SD-CG1 4Å; M235-M339 HydrophobicContact CB-CE 4.25Å; M235-M339 HydrophobicContact CB-SD 4.31Å
236A93.5Very high83.6Confident0 Ų033.3 Ų33.30%019%0.186CC..Hα-helixtrans-66.5-41.8177.300000112.4L207 L232 I233 V234 M239 Y240 M339 V351L207-A236 HydrophobicContact CD1-CB 3.95Å; L232-A236 WeakPolarHBondContact O-CB 3.23Å; L232-A236 PolarHBondContact O-N 3.27Å; I233-A236 PolarHBondContact O-N 3.48Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.42Å; A236-M239 PolarHBondContact O-N 3.08Å; A236-Y240 PolarHBondContact O-N 3.12Å; A236-M339 HydrophobicContact CB-CE 4.12Å; A236-V351 HydrophobicContact CB-CG2 4.35Å
237Q92.8Very high81.4Confident7 Ų736.3 Ų36.33%0.03320%0.2CC..Hα-helixtrans-68.6-34.7176-72.6-57.2-52.200112.2T150 L154 H209 T210 I233 V234 M239 Y240 P241 S242T150-Q237 HydrophobicContact CG2-CB 3.84Å; L154-Q237 HydrophobicContact CD1-CB 4.2Å; L154-Q237 HydrophobicContact CD1-CG 4.13Å; H209-Q237 VanDerWaalsContact C-NE2 3.34Å; H209-Q237 PolarHBondContact O-NE2 3.37Å; T210-Q237 HydrophobicContact CG2-CG 4.24Å; I233-Q237 HydrophobicContact CG2-CG 4.22Å; I233-Q237 WeakPolarHBondContact O-CB 3.35Å; I233-Q237 WeakPolarHBondContact O-CG 3.41Å; I233-Q237 PolarHBondContact O-N 3.26Å; V234-Q237 PolarHBondContact O-N 2.97Å; Q237-M239 VanDerWaalsContact C-N 3.3Å; Q237-M239 PolarHBondContact O-N 3.4Å; Q237-Y240 CarbonylContact O-C 3.54Å; Q237-Y240 PolarHBondContact O-N 3.27Å; Q237-P241 WeakPolarHBondContact O-CA 3.44Å; Q237-P241 WeakPolarHBondContact O-CD 3.36Å; Q237-S242 PolarHBondContact OE1-OG 2.86Å
238N92.4Very high79Confident21 Ų2141.8 Ų41.811%0.11223%0.227CC..Hα-helixtrans-68.1-31.5174.1-174.968.2000112.1Y143 S146 L147 T150 V234 M235Y143-N238 VanDerWaalsContact CE2-ND2 3.27Å; Y143-N238 WeakPolarHBondContact CE2-ND2 3.36Å; S146-N238 VanDerWaalsContact C-OD1 3.22Å; S146-N238 VanDerWaalsContact CB-OD1 3.25Å; S146-N238 WeakPolarHBondContact CB-OD1 3.47Å; S146-N238 PolarHBondContact O-OD1 2.89Å; S146-N238 PolarHBondContact OG-OD1 3.07Å; L147-N238 HydrophobicContact CD2-CB 3.7Å; T150-N238 HydrophobicContact CG2-CB 4.3Å; T150-N238 PolarHBondContact OG1-OD1 2.98Å; V234-N238 VanDerWaalsContact O-CB 3.24Å; V234-N238 WeakPolarHBondContact O-CB 3.49Å; V234-N238 PolarHBondContact O-N 2.84Å; M235-N238 PolarHBondContact O-N 3.38Å
239M88.9Confident76.1Confident37 Ų3749.5 Ų49.518%0.18227%0.265CS..Hα-helixtrans-76.6-40.9173.6-73.7-17866.300113M235 A236 Q237 R319 C341M235-M239 WeakPolarHBondContact O-CG 3.43Å; M235-M239 PolarHBondContact O-N 3.42Å; M235-M239 VanDerWaalsContact O-N 3.08Å; A236-M239 PolarHBondContact O-N 3.08Å; Q237-M239 VanDerWaalsContact C-N 3.3Å; Q237-M239 PolarHBondContact O-N 3.4Å; M239-R319 HydrophobicContact SD-CG 4.42Å; M239-R319 PolarHBondContact SD-NE 3.33Å; M239-C341 HydrophobicContact CE-CB 3.93Å; M239-C341 HydrophobicContact SD-CB 3.88Å
240Y89.1Confident72.9Confident52 Ų5252.5 Ų52.520%0.20429%0.287CS..SBendtrans-132.681.3-178.7-54.5-69000109A236 Q237 S242 P315 C341 T349A236-Y240 PolarHBondContact O-N 3.12Å; Q237-Y240 CarbonylContact O-C 3.54Å; Q237-Y240 PolarHBondContact O-N 3.27Å; Y240-S242 PolarHBondContact O-N 3.44Å; Y240-P315 WeakPolarHBondContact OH-CB 3.28Å; Y240-C341 HydrophobicContact CD2-CB 4.32Å; Y240-C341 HydrophobicContact CE2-CB 3.71Å; Y240-C341 VanDerWaalsContact CE2-O 3.27Å; Y240-C341 WeakPolarHBondContact CE2-O 3.37Å; Y240-C341 PolarHBondContact OH-O 2.89Å; Y240-T349 HydrophobicContact CD2-CG2 4.06Å; Y240-T349 HydrophobicContact CE2-CG2 4.44Å
241P84.9Confident70.1Confident88 Ų8858.2 Ų58.257%0.57133%0.325SS*.  trans-56.6130.5179.9-25.534.7000110.2Q237 N243Q237-P241 WeakPolarHBondContact O-CA 3.44Å; Q237-P241 WeakPolarHBondContact O-CD 3.36Å; P241-N243 PolarHBondContact O-N 2.85Å
242S73.1Confident67.4Low22 Ų2266.1 Ų66.115%0.15436%0.361CS..  trans-82.4111.3170.656.60000109.1H209 Q237 Y240 V244H209-S242 WeakPolarHBondContact CD2-CB 3.3Å; Q237-S242 PolarHBondContact OE1-OG 2.86Å; Y240-S242 PolarHBondContact O-N 3.44Å; S242-V244 VanDerWaalsContact C-N 3.25Å; S242-V244 PolarHBondContact O-N 3.43Å
243N62.7Low64.4Low96 Ų9674.3 Ų74.351%0.51341%0.405SS..  trans-7184.1174.2-74.4-30000108.7P241 D245 L246P241-N243 PolarHBondContact O-N 2.85Å; N243-D245 VanDerWaalsContact C-N 3.28Å; N243-L246 HydrophobicContact CB-CB 4.26Å; N243-L246 HydrophobicContact CB-CD1 4.18Å; N243-L246 HydrophobicContact CB-CG 4.3Å
244V55.5Low61.4Low60 Ų6078.6 Ų78.636%0.36444%0.441SS..SBendtrans-69.6-33.5174.2-176.80000110S242 K502S242-V244 VanDerWaalsContact C-N 3.25Å; S242-V244 PolarHBondContact O-N 3.43Å; V244-K502 PolarHBondContact O-NZ 3.43Å
245D48Very low58.5Low108 Ų10886.1 Ų86.158%0.57848%0.481SS*.SBendtrans-91.1-19.2-168-55.4-39.8000115.7N243N243-D245 VanDerWaalsContact C-N 3.28Å
246L43.8Very low55.6Low118 Ų11891.1 Ų91.162%0.61852%0.516SS*.SBendtrans-80.3-18.4-177.1-66.5-179.6000113.8N243N243-L246 HydrophobicContact CB-CB 4.26Å; N243-L246 HydrophobicContact CB-CD1 4.18Å; N243-L246 HydrophobicContact CB-CG 4.3Å
247D40.7Very low52.6Low100 Ų10097.6 Ų97.654%0.53556%0.556SS.*SBendtrans-85.6-18.2179.8-65.3-31.7000113.2M249 S250 K502D247-M249 PolarHBondContact O-N 3.12Å; D247-S250 PolarHBondContact O-N 3.17Å; D247-S250 PolarHBondContact O-OG 3.34Å; D247-K502 IonicContact OD2-NZ 3.63Å; D247-K502 PolarHBondContact OD2-NZ 2.87Å
248D38.8Very low49.7Very low138 Ų138102.8 Ų102.874%0.73859%0.593SS**THydrogen-bonded Turntrans-75.9-8.9175.1-86.9-4.3000112.2S250D248-S250 VanDerWaalsContact C-N 3.31Å
249M31.5Very low46.8Very low162 Ų162105.6 Ų105.680%0.79863%0.627SS**THydrogen-bonded Turntrans-95.328.5172.5-69.3-70.9-69.400112.3D247D247-M249 PolarHBondContact O-N 3.12Å
250S26.9Very low44Very low76 Ų76109.6 Ų109.653%0.53166%0.659SS.*  trans-77.6125.5165.550.40000109.5D247 D248 E252D247-S250 PolarHBondContact O-N 3.17Å; D247-S250 PolarHBondContact O-OG 3.34Å; D248-S250 VanDerWaalsContact C-N 3.31Å; S250-E252 PolarHBondContact O-N 2.97Å
251P35.7Very low41Very low127 Ų127110.8 Ų110.883%0.82569%0.686SS**THydrogen-bonded Turntrans-83.758.5-175.135.4-35.1000111
252E37.4Very low38.4Very low170 Ų170112.7 Ų112.779%0.79470%0.699SS**THydrogen-bonded Turntrans-114.8-6.5176.7-67.9-163.6164.600114.8S250S250-E252 PolarHBondContact O-N 2.97Å
253D32.4Very low36.5Very low171 Ų171120 Ų12091%0.91473%0.73SS**SBendtrans-116.941.3179.2-73.3-36.4000113.6
254A31.6Very low35.1Very low93 Ų93121.4 Ų121.477%0.76974%0.743SS**  trans-108.99.6172.200000114.4
255D34Very low33.9Very low159 Ų159127.3 Ų127.385%0.8576%0.764SS**  trans-114.468.5175.9-90.4-19000111.4
256S33.7Very low33.1Very low108 Ų108132.5 Ų132.576%0.75578%0.777SS**SBendtrans-167.6126.9149.3-83.40000111
257T31.3Very low32.7Very low136 Ų136132.8 Ų132.883%0.83478%0.784SS**SBendtrans76.188.7167.461.10000118.1
258S30.3Very low32.5Very low117 Ų117133.5 Ų133.582%0.81879%0.794SS**  166.6119.1105.7-75.10000110.7
259G32.2Very low32.4Very low79 Ų79135.8 Ų135.881%0.81480%0.8SS**  trans-76.4134.6171.400000112
260S30.7Very low32.5Very low122 Ų122134 Ų13485%0.85380%0.801SS**  trans178.378.1146.342.90000113.6
261G26.3Very low32.8Very low76 Ų76135.7 Ų135.778%0.78481%0.813SS**  trans52.4173.7149.500000122.4
262P30.2Very low32.9Very low128 Ų128136 Ų13683%0.83181%0.814SS**  cis-116.8165.9-5.337.6-22.2000114.5
263E32.7Very low32.5Very low176 Ų176133.9 Ų133.982%0.82282%0.818SS**  trans-60.8125.9-174-59.5170.9144.700114.6
264T32.9Very low32.5Very low126 Ų126130.8 Ų130.877%0.77381%0.81SS**  trans-109.1109.6155.734.50000109.2Y266T264-Y266 PolarHBondContact O-N 3.1Å
265F30Very low32.5Very low183 Ų183138 Ų13880%0.80382%0.818SS**PPolyproline II helixtrans-56.3119.5172.2-89.2-104.5000110.7
266Y31.9Very low32.2Very low217 Ų217136.6 Ų136.685%0.85182%0.82SS**PPolyproline II helixtrans-87.1118.3165.2-105.4-94.2000109.3T264T264-Y266 PolarHBondContact O-N 3.1Å
267T35Very low32Very low125 Ų125136.8 Ų136.877%0.76782%0.821SS**PPolyproline II helixtrans-99.5120.9163.4-420000106.8
268P36.2Very low32Very low115 Ų115136 Ų13675%0.74782%0.821SS**PPolyproline II helixtrans-77133.1-179.224.9-24.1000111
269E37.1Very low32Very low185 Ų185135.3 Ų135.386%0.86482%0.817SS**PPolyproline II helixtrans-71.1139.6170.1-71.5-171.5151.700111
270P33.4Very low31.8Very low126 Ų126137.1 Ų137.182%0.81882%0.817SS**PPolyproline II helixtrans-81.7145.2-179.132.7-31.9000112.1
271S33.6Very low31.8Very low111 Ų111139.2 Ų139.278%0.77681%0.813SS**PPolyproline II helixtrans-65.3157.5177.5-46.50000113.4
272P37.5Very low32Very low133 Ų133144.3 Ų144.386%0.86481%0.814SS**PPolyproline II helixtrans-81.1135.2-162.732.4-32.7000112.2
273S30.3Very low31.8Very low125 Ų125143.2 Ų143.287%0.87482%0.815SS**  trans-113.5152168.154.40000111.3
274S30.9Very low31.5Very low107 Ų107138.6 Ų138.675%0.74882%0.815SS**  trans-89.4153-157.8490000114.7
275R31.8Very low31.5Very low245 Ų245145.1 Ų145.193%0.92583%0.825SS**  trans53.6119.7150.6-75.1179.6157.8-169.4-5.3119.2
276S27.6Very low31.3Very low128 Ų128139.9 Ų139.990%0.89582%0.823SS**  -173.8165122.346.90000111.6
277S31.1Very low31.1Very low112 Ų112138.8 Ų138.878%0.78383%0.826SS**  trans-121.4171.3-150.237.90000113.7
278S30.1Very low30.8Very low120 Ų120139 Ų13984%0.83983%0.827SS**  trans91.3135.7169.477.40000115.4
279S30.1Very low30.6Very low103 Ų103138.3 Ų138.372%0.7282%0.823SS**  cis-166.2136.327.742.40000109.1
280S29.2Very low30.5Very low116 Ų116135.9 Ų135.981%0.81182%0.82SS**  52.3129.6100.8-54.20000114.9
281E29.7Very low30.4Very low166 Ų166138.2 Ų138.278%0.77682%0.818SS**  cis-158.9154.521.6-63.8-172.511200113.8
282K29.8Very low30.5Very low183 Ų183141.2 Ų141.280%0.79682%0.819SS**  trans60.7120.9138.2-82.7175.2-179.1162.70125.6
283A26.6Very low30.1Very low105 Ų105144.8 Ų144.887%0.86882%0.822SS**  105.1120.1118.900000119.3
284G27.1Very low30.6Very low79 Ų79143.7 Ų143.781%0.81481%0.809SS**  trans160.173.5166.200000115
285R31.7Very low31.2Very low264 Ų264142.1 Ų142.1100%0.99679%0.793SS**  trans-24.5122.5168.3-163.9-179.1-166.5-171.62.8115.8
286G27.2Very low31.7Very low73 Ų73134.8 Ų134.875%0.75378%0.777SS**  trans169.159.4169.800000114.1
287E27.9Very low32.4Very low194 Ų194135.3 Ų135.391%0.90777%0.765SS**  trans-92.4106.6166.3-78.5179.3173.100109.6
288T28.8Very low33.2Very low129 Ų129134.6 Ų134.679%0.79175%0.752SS**  trans-126.9101.1148.137.60000106.5V290T288-V290 PolarHBondContact O-N 3.38Å
289P30.7Very low33.7Very low101 Ų101133.6 Ų133.666%0.65673%0.734SS**  trans-77.9111.616830.2-28.3000108.1F291P289-F291 HydrophobicContact CB-CD2 3.95Å; P289-F291 HydrophobicContact CB-CE2 4.13Å; P289-F291 PolarHBondContact O-N 2.94Å
290V34.8Very low34.5Very low134 Ų134134.3 Ų134.381%0.81273%0.727SS**  trans-7198.7160.3177.70000105.8T288T288-V290 PolarHBondContact O-N 3.38Å
291F32.3Very low35.3Very low175 Ų175131.2 Ų131.277%0.76871%0.709SS**  trans-102.4117.1158.4-87.1-80.7000107P289 F293P289-F291 HydrophobicContact CB-CD2 3.95Å; P289-F291 HydrophobicContact CB-CE2 4.13Å; P289-F291 PolarHBondContact O-N 2.94Å; F291-F293 PolarHBondContact O-N 3.04Å
292E34.9Very low35.9Very low174 Ų174128.3 Ų128.381%0.81370%0.695SS**  trans-50.2122.3171.9-79.3169.4138.600109.7V294E292-V294 PolarHBondContact O-N 3.26Å
293F30.3Very low36.1Very low207 Ų207124 Ų12491%0.90868%0.681SS**  trans-68.4100.6163.7-75.6-94.1000106.9F291 D295F291-F293 PolarHBondContact O-N 3.04Å; F293-D295 PolarHBondContact O-N 2.86Å
294V40.5Very low36.7Very low102 Ų102122.2 Ų122.262%0.61866%0.662SS**  trans-65.6116.9160.5-179.40000106E292 P296E292-V294 PolarHBondContact O-N 3.26Å; V294-P296 WeakPolarHBondContact O-CD 3.23Å
295D42.9Very low37.3Very low75 Ų75124.2 Ų124.240%0.40165%0.653SS.*  trans-60.9122.4-177.9-156-29.3000109.3F293 E297 I298 Q299F293-D295 PolarHBondContact O-N 2.86Å; D295-E297 PolarHBondContact O-N 2.71Å; D295-E297 PolarHBondContact OD1-N 2.92Å; D295-I298 HydrophobicContact CB-CD1 3.93Å; D295-I298 HydrophobicContact CB-CG1 4.07Å; D295-I298 PolarHBondContact O-N 3.33Å; D295-Q299 PolarHBondContact O-N 2.86Å
296P42.6Very low37.4Very low91 Ų91118.2 Ų118.259%0.59164%0.636SS**Hα-helixtrans-54.9-23.5177.5-24.333.5000112.9V294 M300V294-P296 WeakPolarHBondContact O-CD 3.23Å; P296-M300 WeakPolarHBondContact O-CB 3.27Å; P296-M300 VanDerWaalsContact O-CG 3.3Å; P296-M300 WeakPolarHBondContact O-CG 3.26Å; P296-M300 PolarHBondContact O-N 3.22Å
297E40.9Very low37.7Very low138 Ų138120.1 Ų120.165%0.64563%0.633SS**Hα-helixtrans-70-30.7177.6-65.2-178.1170.200112.8D295 A301D295-E297 PolarHBondContact O-N 2.71Å; D295-E297 PolarHBondContact OD1-N 2.92Å; E297-A301 WeakPolarHBondContact O-CB 3.23Å; E297-A301 PolarHBondContact O-N 2.99Å
298I48.5Very low38.1Very low98 Ų98116.6 Ų116.650%0.50362%0.62SS.*Hα-helixtrans-76.6-40.6177.4-61.3170.7000110.1D295 A301 E302D295-I298 HydrophobicContact CB-CD1 3.93Å; D295-I298 HydrophobicContact CB-CG1 4.07Å; D295-I298 PolarHBondContact O-N 3.33Å; I298-A301 PolarHBondContact O-N 3.34Å; I298-E302 PolarHBondContact O-N 2.89Å
299Q41.8Very low38.3Very low98 Ų98117.8 Ų117.846%0.45862%0.617SS.*Hα-helixtrans-65.5-38.8174.8-163.575.439.200111.5D295 A301 E302 D303D295-Q299 PolarHBondContact O-N 2.86Å; Q299-A301 VanDerWaalsContact C-N 3.33Å; Q299-E302 PolarHBondContact O-N 3.48Å; Q299-D303 WeakPolarHBondContact O-CB 3.46Å; Q299-D303 PolarHBondContact O-N 2.95Å
300M46.2Very low38.7Very low118 Ų118117 Ų11758%0.58161%0.606SS**Hα-helixtrans-68.8-29.4173.4-74.1-161.7-53.900112.9P296 S304P296-M300 WeakPolarHBondContact O-CB 3.27Å; P296-M300 VanDerWaalsContact O-CG 3.3Å; P296-M300 WeakPolarHBondContact O-CG 3.26Å; P296-M300 PolarHBondContact O-N 3.22Å; M300-S304 WeakPolarHBondContact O-CB 3.37Å; M300-S304 PolarHBondContact O-N 2.93Å; M300-S304 PolarHBondContact O-OG 3.43Å
301A45.7Very low38.5Very low52 Ų52117.5 Ų117.543%0.4360%0.604SS.*Hα-helixtrans-72.8-37.3174.800000112.2E297 I298 Q299 S304 L305E297-A301 WeakPolarHBondContact O-CB 3.23Å; E297-A301 PolarHBondContact O-N 2.99Å; I298-A301 PolarHBondContact O-N 3.34Å; Q299-A301 VanDerWaalsContact C-N 3.33Å; A301-S304 PolarHBondContact O-N 3.26Å; A301-L305 WeakPolarHBondContact O-CG 3.44Å; A301-L305 PolarHBondContact O-N 2.96Å
302E42.9Very low39Very low105 Ų105114 Ų11449%0.49160%0.599SS.*Hα-helixtrans-72.3-39.9173.7-71.1-174164.700112.1I298 Q299 S304 L305 H306I298-E302 PolarHBondContact O-N 2.89Å; Q299-E302 PolarHBondContact O-N 3.48Å; E302-S304 VanDerWaalsContact C-N 3.28Å; E302-S304 PolarHBondContact O-N 3.05Å; E302-L305 WeakPolarHBondContact O-CB 3.33Å; E302-L305 PolarHBondContact O-N 2.97Å; E302-L305 VanDerWaalsContact O-N 3.12Å; E302-H306 PolarHBondContact O-CD2 3.27Å; E302-H306 PolarHBondContact O-N 3.29Å
303D33.3Very low39.9Very low92 Ų92108.7 Ų108.749%0.49258%0.58SS.*Hα-helixtrans-67.4-29.3172.7-78.7-18.8000112.1Q299 H306 T307Q299-D303 WeakPolarHBondContact O-CB 3.46Å; Q299-D303 PolarHBondContact O-N 2.95Å; D303-H306 PolarHBondContact O-N 2.79Å; D303-T307 PolarHBondContact O-N 2.91Å; D303-T307 PolarHBondContact O-OG1 3.34Å
304S40.4Very low41.1Very low68 Ų68103.5 Ų103.548%0.47656%0.561SS.*Hα-helixtrans-71.7-27.7171.1-64.50000113M300 A301 E302 T307M300-S304 WeakPolarHBondContact O-CB 3.37Å; M300-S304 PolarHBondContact O-N 2.93Å; M300-S304 PolarHBondContact O-OG 3.43Å; A301-S304 PolarHBondContact O-N 3.26Å; E302-S304 VanDerWaalsContact C-N 3.28Å; E302-S304 PolarHBondContact O-N 3.05Å; S304-T307 VanDerWaalsContact CA-OG1 3.28Å; S304-T307 WeakPolarHBondContact CA-OG1 3.33Å; S304-T307 PolarHBondContact O-OG1 3.32Å
305L39.4Very low41.7Very low121 Ų121102.1 Ų102.163%0.63455%0.554SS**Hα-helixtrans-77.5-30.2171.8-75.2167000111.8A301 E302 L308A301-L305 WeakPolarHBondContact O-CG 3.44Å; A301-L305 PolarHBondContact O-N 2.96Å; E302-L305 WeakPolarHBondContact O-CB 3.33Å; E302-L305 PolarHBondContact O-N 2.97Å; E302-L305 VanDerWaalsContact O-N 3.12Å; L305-L308 HydrophobicContact CD2-CD1 4.44Å; L305-L308 PolarHBondContact O-N 2.95Å
306H33.7Very low42.4Very low138 Ų138100 Ų10064%0.63955%0.547SS*.Hα-helixtrans-77.7-21.6171.5-77.8-60.7000114E302 D303 L308 E309E302-H306 PolarHBondContact O-CD2 3.27Å; E302-H306 PolarHBondContact O-N 3.29Å; D303-H306 PolarHBondContact O-N 2.79Å; H306-L308 PolarHBondContact O-N 2.95Å; H306-E309 PolarHBondContact O-N 2.86Å
307T33.6Very low43.8Very low112 Ų11297.8 Ų97.869%0.68753%0.534SS*.THydrogen-bonded Turntrans-79.8-0.1170.219.50000114.2D303 S304 E309D303-T307 PolarHBondContact O-N 2.91Å; D303-T307 PolarHBondContact O-OG1 3.34Å; S304-T307 VanDerWaalsContact CA-OG1 3.28Å; S304-T307 WeakPolarHBondContact CA-OG1 3.33Å; S304-T307 PolarHBondContact O-OG1 3.32Å; T307-E309 VanDerWaalsContact C-N 3.33Å
308L35.3Very low45.9Very low120 Ų12092.9 Ų92.963%0.62851%0.514SS*.THydrogen-bonded Turntrans-91.812.1169.3-72.5168.5000113.5L305 H306 I310L305-L308 HydrophobicContact CD2-CD1 4.44Å; L305-L308 PolarHBondContact O-N 2.95Å; H306-L308 PolarHBondContact O-N 2.95Å; L308-I310 PolarHBondContact O-N 3.18Å
309E33.9Very low47.7Very low155 Ų15590.5 Ų90.572%0.72450%0.499SS*.SBendtrans-66.195.4154.1-80.1-170.317300108.2H306 T307 N311H306-E309 PolarHBondContact O-N 2.86Å; T307-E309 VanDerWaalsContact C-N 3.33Å; E309-N311 PolarHBondContact O-N 2.93Å
310I38.8Very low50.1Low83 Ų8389.2 Ų89.243%0.42649%0.49SS..  trans-49.2107.8166.9-64.3-171.5000106.6K142 L308 P312K142-I310 HydrophobicContact CD-CD1 3.4Å; K142-I310 HydrophobicContact CG-CD1 4.11Å; K142-I310 VanDerWaalsContact NZ-CD1 3.28Å; L308-I310 PolarHBondContact O-N 3.18Å; I310-P312 WeakPolarHBondContact O-CD 3.34Å
311N31.2Very low52.3Low145 Ų14583.6 Ų83.678%0.77546%0.462SS*.PPolyproline II helixtrans-48.7121.5168.1-81.8-51.8000106.9E309E309-N311 PolarHBondContact O-N 2.93Å
312P42.6Very low54.6Low101 Ų10181.2 Ų81.266%0.65644%0.442SS*.PPolyproline II helixtrans-53.6137.3174.721.3-30.4000107.2I310 D314I310-P312 WeakPolarHBondContact O-CD 3.34Å; P312-D314 PolarHBondContact O-N 2.98Å
313P53Low57.1Low63 Ų6376.2 Ų76.241%0.40942%0.419SS..PPolyproline II helixtrans-50.7135.4176.617.1-26.2000108.3
314D55.7Low59.8Low98 Ų9874.5 Ų74.552%0.52441%0.408SS..  trans-44.9119.3-1761765.4000108.9P312 A316 S317P312-D314 PolarHBondContact O-N 2.98Å; D314-A316 PolarHBondContact O-N 2.81Å; D314-A316 WeakPolarHBondContact OD1-CB 3.43Å; D314-A316 PolarHBondContact OD1-N 3.42Å; D314-S317 WeakPolarHBondContact O-CB 3.36Å; D314-S317 PolarHBondContact O-N 3.37Å; D314-S317 PolarHBondContact O-OG 3.11Å
315P52.4Low62.1Low73 Ų7372.2 Ų72.247%0.47439%0.391SS..THydrogen-bonded Turntrans-58.4-17.7-177.923.7-34.9000112.7Y240Y240-P315 WeakPolarHBondContact OH-CB 3.28Å
316A57.5Low64.3Low30 Ų3071.1 Ų71.125%0.24839%0.385CS..THydrogen-bonded Turntrans-83.4-9174.900000114.3D314 Q479D314-A316 PolarHBondContact O-N 2.81Å; D314-A316 WeakPolarHBondContact OD1-CB 3.43Å; D314-A316 PolarHBondContact OD1-N 3.42Å; A316-Q479 PolarHBondContact O-NE2 3.48Å; A316-Q479 VanDerWaalsContact O-NE2 3.1Å; A316-Q479 PolarHBondContact O-OE1 2.95Å
317S73Confident66.5Low45 Ų4568.7 Ų68.732%0.31537%0.374SS..SBendtrans-86.5118.917867.60000110.8D314D314-S317 WeakPolarHBondContact O-CB 3.36Å; D314-S317 PolarHBondContact O-N 3.37Å; D314-S317 PolarHBondContact O-OG 3.11Å
318P84.8Confident68.5Low35 Ų3572.9 Ų72.923%0.22738%0.383CS..PPolyproline II helixtrans-65.6144.1174.523.9-30.1000110.7M339 Y340 R473P318-M339 WeakPolarHBondContact CA-O 3.21Å; P318-Y340 HydrophobicContact CB-CD1 3.85Å; P318-Y340 HydrophobicContact CB-CD2 4.31Å; P318-Y340 HydrophobicContact CB-CE1 3.49Å; P318-Y340 VanDerWaalsContact CB-CE1 3.49Å; P318-Y340 HydrophobicContact CB-CE2 3.97Å; P318-Y340 HydrophobicContact CB-CG 4.24Å; P318-Y340 HydrophobicContact CG-CD1 4.45Å; P318-Y340 HydrophobicContact CG-CE1 3.68Å; P318-R473 HydrophobicContact CG-CB 4.31Å
319R87.3Confident70.6Confident49 Ų4972.4 Ų72.419%0.18538%0.381CS..EExtended strand (participates in β ladder)trans-85.3132.2167.4-67.4-171.5-179-91.76.2109.9Y143 M239 V321 M339Y143-R319 VanDerWaalsContact CE2-CZ 3.48Å; Y143-R319 VanDerWaalsContact CE2-NH1 3.29Å; Y143-R319 PolarHBondContact OH-NH1 3.44Å; M239-R319 HydrophobicContact SD-CG 4.42Å; M239-R319 PolarHBondContact SD-NE 3.33Å; R319-V321 PolarHBondContact O-N 3.31Å; R319-M339 HydrophobicContact CB-CB 4.43Å; R319-M339 PolarHBondContact N-O 3.07Å; R319-M339 PolarHBondContact O-N 3.22Å
320R90.4Very high72.9Confident70 Ų7066.4 Ų66.426%0.26436%0.361SS..EExtended strand (participates in β ladder)trans-69.9123.9166.2-17586.2-63.2145.8-0.9108.7F322 H337 S338 I356 F461R320-F322 HydrophobicContact CG-CD2 4.44Å; R320-F322 HydrophobicContact CG-CE1 4.09Å; R320-F322 HydrophobicContact CG-CE2 3.6Å; R320-F322 HydrophobicContact CG-CZ 3.42Å; R320-F322 VanDerWaalsContact CG-CZ 3.42Å; R320-H337 VanDerWaalsContact CZ-O 3.3Å; R320-H337 PolarHBondContact NE-O 2.91Å; R320-H337 PolarHBondContact NH2-O 2.93Å; R320-S338 VanDerWaalsContact NH2-CB 3.31Å; R320-S338 PolarHBondContact NH2-OG 3.28Å; R320-I356 VanDerWaalsContact NH2-CD1 3.26Å; R320-I356 VanDerWaalsContact NH2-CG1 3.31Å; R320-F461 WeakPolarHBondContact CD-O 3.43Å; R320-F461 WeakPolarHBondContact CG-O 3.21Å
321V93.6Very high75.2Confident0 Ų066.5 Ų66.50%036%0.362CS..EExtended strand (participates in β ladder)trans-128.6148173.9-60.30000110.5V113 L232 M235 R319 L323 H337 M339 L353V113-V321 HydrophobicContact CG1-CB 3.92Å; V113-V321 HydrophobicContact CG1-CG1 4.14Å; V113-V321 CarbonylContact O-C 3.43Å; V113-V321 WeakPolarHBondContact O-CA 3.27Å; L232-V321 HydrophobicContact CD2-CB 4.44Å; L232-V321 HydrophobicContact CD2-CG1 4.25Å; L232-V321 HydrophobicContact CD2-CG2 4.17Å; M235-V321 HydrophobicContact SD-CG1 4Å; R319-V321 PolarHBondContact O-N 3.31Å; V321-L323 HydrophobicContact CB-CD2 4.43Å; V321-L323 HydrophobicContact CG2-CD1 4.09Å; V321-L323 HydrophobicContact CG2-CD2 4.33Å; V321-L323 HydrophobicContact CG2-CG 4.1Å; V321-H337 HydrophobicContact CG2-CB 3.94Å; V321-H337 PolarHBondContact N-O 2.95Å; V321-H337 PolarHBondContact O-N 3.17Å; V321-H337 VanDerWaalsContact O-O 3.13Å; V321-M339 HydrophobicContact CG1-CB 3.85Å; V321-M339 HydrophobicContact CG1-SD 4.04Å; V321-M339 HydrophobicContact CG2-CB 3.92Å; V321-L353 HydrophobicContact CG2-CD2 4.16Å
322F94.8Very high78.1Confident2 Ų260.1 Ų60.11%0.00933%0.327CS..EExtended strand (participates in β ladder)trans-119.8112.7-176.9-58-82.2000110.1V113 M114 R320 M334 M335 P336 Y457 F461 L462V113-F322 WeakPolarHBondContact O-CD2 3.47Å; V113-F322 PolarHBondContact O-N 2.9Å; M114-F322 VanDerWaalsContact O-CE2 3.28Å; M114-F322 WeakPolarHBondContact O-CE2 3.13Å; R320-F322 HydrophobicContact CG-CD2 4.44Å; R320-F322 HydrophobicContact CG-CE1 4.09Å; R320-F322 HydrophobicContact CG-CE2 3.6Å; R320-F322 HydrophobicContact CG-CZ 3.42Å; R320-F322 VanDerWaalsContact CG-CZ 3.42Å; F322-M334 HydrophobicContact CB-CB 4.27Å; F322-M335 CarbonylContact C-O 3.59Å; F322-M335 VanDerWaalsContact CA-O 3.31Å; F322-M335 WeakPolarHBondContact CA-O 3.36Å; F322-P336 HydrophobicContact CD1-CB 3.67Å; F322-P336 HydrophobicContact CE1-CB 3.58Å; F322-Y457 HydrophobicContact CD1-CE1 4.29Å; F322-Y457 AromaticContact CD1-CZ 3.77Å; F322-Y457 WeakPolarHBondContact CD1-OH 3.27Å; F322-Y457 AromaticContact CE1-CE1 3.78Å; F322-Y457 HydrophobicContact CE1-CE1 3.78Å; F322-Y457 AromaticContact CE1-CZ 3.54Å; F322-Y457 WeakPolarHBondContact CE1-OH 3.21Å; F322-Y457 HydrophobicContact CZ-CE1 4.31Å; F322-F461 HydrophobicContact CE1-CB 3.94Å; F322-F461 HydrophobicContact CZ-CB 4.29Å; F322-L462 HydrophobicContact CE2-CD1 3.72Å; F322-L462 HydrophobicContact CZ-CB 4.43Å; F322-L462 HydrophobicContact CZ-CD1 3.95Å
323L94Very high80.4Confident1 Ų157 Ų571%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-122.6161.8-166.5-53.1177.9000111V113 L224 D228 L232 V321 M334 M335 H337 L353V113-L323 HydrophobicContact CG1-CD2 4.18Å; V113-L323 HydrophobicContact CG2-CD2 4.44Å; L224-L323 HydrophobicContact CD2-CD1 3.91Å; D228-L323 HydrophobicContact CB-CD2 4.1Å; L232-L323 HydrophobicContact CD1-CD1 4.13Å; L232-L323 HydrophobicContact CD1-CD2 4.43Å; L232-L323 HydrophobicContact CD2-CD2 4.32Å; L232-L323 HydrophobicContact CG-CD2 4.41Å; V321-L323 HydrophobicContact CB-CD2 4.43Å; V321-L323 HydrophobicContact CG2-CD1 4.09Å; V321-L323 HydrophobicContact CG2-CD2 4.33Å; V321-L323 HydrophobicContact CG2-CG 4.1Å; L323-M334 PolarHBondContact O-N 3.02Å; L323-M335 PolarHBondContact N-O 3.35Å; L323-M335 PolarHBondContact O-N 3.35Å; L323-H337 HydrophobicContact CD1-CB 4.37Å; L323-L353 HydrophobicContact CD1-CD1 3.86Å; L323-L353 HydrophobicContact CD1-CD2 4.41Å
324E91.2Very high82.2Confident55 Ų5554.7 Ų54.726%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-76135174.8-170.5171.390.300111.6T225 D228 L331T225-E324 HydrophobicContact CG2-CB 4.35Å; T225-E324 WeakPolarHBondContact CG2-OE1 3.33Å; D228-E324 PolarHBondContact OD2-N 2.9Å; E324-L331 HydrophobicContact CG-CD1 3.69Å; E324-L331 HydrophobicContact CG-CD2 4.22Å; E324-L331 HydrophobicContact CG-CG 3.81Å; E324-L331 WeakPolarHBondContact OE2-CD2 3.39Å
325V87.6Confident84Confident21 Ų2150.4 Ų50.413%0.12727%0.267CS..EExtended strand (participates in β ladder)trans-127.6118.3-179.2175.70000110.5S222 H327 Y332 M335 H337S222-V325 WeakPolarHBondContact OG-CA 3.33Å; S222-V325 WeakPolarHBondContact OG-CG2 3.48Å; V325-H327 PolarHBondContact O-N 2.92Å; V325-Y332 PolarHBondContact N-O 3.14Å; V325-Y332 PolarHBondContact O-N 3.13Å; V325-M335 HydrophobicContact CB-CB 4.11Å; V325-M335 HydrophobicContact CB-CG 3.78Å; V325-M335 HydrophobicContact CG2-CB 3.46Å; V325-M335 VanDerWaalsContact CG2-CB 3.46Å; V325-M335 HydrophobicContact CG2-CG 3.73Å; V325-H337 VanDerWaalsContact CG2-CE1 3.44Å; V325-H337 WeakPolarHBondContact CG2-CE1 3.03Å
326L85.1Confident85.9Confident97 Ų9747 Ų4751%0.50825%0.245SC..EExtended strand (participates in β ladder)trans-77.8117.6165.3-173.965.7000110.2S222 L331S222-L326 VanDerWaalsContact CB-N 3.26Å; L326-L331 HydrophobicContact CB-CD1 4.24Å; L326-L331 HydrophobicContact CD1-CD1 4.08Å
327H79.8Confident87.6Confident87 Ų8745.9 Ų45.940%0.40324%0.235SC..EExtended strand (participates in β ladder)trans-117.1167174.1-162.965.6000110.7V325 D329 G330 Y332V325-H327 PolarHBondContact O-N 2.92Å; H327-D329 PolarHBondContact O-N 3.24Å; H327-G330 CarbonylContact C-O 3.52Å; H327-G330 PolarHBondContact N-O 2.51Å; H327-G330 PolarHBondContact O-N 2.6Å; H327-Y332 HydrophobicContact CB-CD2 3.72Å; H327-Y332 HydrophobicContact CB-CE2 3.69Å
328K77.6Confident88.4Confident200 Ų20043.8 Ų43.887%0.8722%0.22SC*.THydrogen-bonded Turntrans-54.4-31.3-177.3-65.8-176.6-179.9-179.90113.7
329D77.4Confident88.8Confident111 Ų11142.2 Ų42.259%0.59421%0.21SC*.THydrogen-bonded Turntrans-93-2-176.5-66.1-12.3000113.7H327 Y332 K367H327-D329 PolarHBondContact O-N 3.24Å; D329-Y332 WeakPolarHBondContact CB-OH 3.47Å; D329-K367 IonicContact OD2-NZ 2.84Å; D329-K367 PolarHBondContact OD2-NZ 3.38Å
330G83.4Confident89.1Confident29 Ų2940 Ų4030%0.29920%0.201SC..EExtended strand (participates in β ladder)trans142.5-173.4-177.600000114.7H327 Y332H327-G330 CarbonylContact C-O 3.52Å; H327-G330 PolarHBondContact N-O 2.51Å; H327-G330 PolarHBondContact O-N 2.6Å; G330-Y332 VanDerWaalsContact O-CD2 3.24Å; G330-Y332 WeakPolarHBondContact O-CD2 3.31Å; G330-Y332 VanDerWaalsContact O-CE2 3.23Å; G330-Y332 WeakPolarHBondContact O-CE2 3.1Å
331L87.4Confident89.2Confident85 Ų8536.8 Ų36.845%0.44519%0.19SC..EExtended strand (participates in β ladder)trans-91.8130177.4-165.773.7000110E324 L326E324-L331 HydrophobicContact CG-CD1 3.69Å; E324-L331 HydrophobicContact CG-CD2 4.22Å; E324-L331 HydrophobicContact CG-CG 3.81Å; E324-L331 WeakPolarHBondContact OE2-CD2 3.39Å; L326-L331 HydrophobicContact CB-CD1 4.24Å; L326-L331 HydrophobicContact CD1-CD1 4.08Å
332Y90.7Very high89.2Confident11 Ų1137.2 Ų37.24%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-121.9103.4-178.4-64.4-88.6000109V325 H327 D329 G330 I363 Y366 K367V325-Y332 PolarHBondContact N-O 3.14Å; V325-Y332 PolarHBondContact O-N 3.13Å; H327-Y332 HydrophobicContact CB-CD2 3.72Å; H327-Y332 HydrophobicContact CB-CE2 3.69Å; D329-Y332 WeakPolarHBondContact CB-OH 3.47Å; G330-Y332 VanDerWaalsContact O-CD2 3.24Å; G330-Y332 WeakPolarHBondContact O-CD2 3.31Å; G330-Y332 VanDerWaalsContact O-CE2 3.23Å; G330-Y332 WeakPolarHBondContact O-CE2 3.1Å; Y332-I363 HydrophobicContact CD1-CG1 4.46Å; Y332-I363 HydrophobicContact CD1-CG2 4.07Å; Y332-I363 HydrophobicContact CE1-CG2 3.69Å; Y332-Y366 AromaticContact CD1-CD1 3.41Å; Y332-Y366 HydrophobicContact CD1-CD1 3.41Å; Y332-Y366 VanDerWaalsContact CD1-CD1 3.41Å; Y332-Y366 AromaticContact CD1-CE1 3.99Å; Y332-Y366 HydrophobicContact CD1-CE1 3.99Å; Y332-Y366 HydrophobicContact CD1-CG 4.17Å; Y332-Y366 AromaticContact CE1-CD1 3.82Å; Y332-Y366 HydrophobicContact CE1-CD1 3.82Å; Y332-Y366 HydrophobicContact CE1-CE1 4.37Å; Y332-Y366 HydrophobicContact CG-CD1 4.47Å; Y332-K367 HydrophobicContact CE1-CG 3.97Å; Y332-K367 WeakPolarHBondContact OH-CE 3.2Å
333P90.8Very high89.1Confident36 Ų3638.5 Ų38.523%0.23420%0.201CC..EExtended strand (participates in β ladder)trans-71.4159.4175.531.8-34.9000110.7M335 Y366P333-M335 VanDerWaalsContact C-N 3.31Å; P333-M335 WeakPolarHBondContact O-CE 3.32Å; P333-M335 PolarHBondContact O-N 3.12Å; P333-Y366 WeakPolarHBondContact CD-OH 3.29Å; P333-Y366 HydrophobicContact CG-CD2 4.28Å; P333-Y366 HydrophobicContact CG-CE2 3.47Å; P333-Y366 VanDerWaalsContact CG-CE2 3.47Å
334M92.3Very high89Confident13 Ų1338.5 Ų38.56%0.06420%0.201CC..EExtended strand (participates in β ladder)trans57.638.5170.5-59.8159.3162.100113.9E112 G116 M117 T119 F322 L323 Y457E112-M334 HydrophobicContact CB-CE 3.54Å; E112-M334 VanDerWaalsContact CD-CE 3.46Å; E112-M334 HydrophobicContact CG-CE 3.26Å; E112-M334 WeakPolarHBondContact OE1-CE 3.44Å; G116-M334 VanDerWaalsContact C-SD 3.55Å; G116-M334 VanDerWaalsContact O-SD 3.42Å; M117-M334 HydrophobicContact CG-CB 4.03Å; M117-M334 HydrophobicContact CG-SD 4.41Å; T119-M334 HydrophobicContact CG2-CE 4.45Å; T119-M334 WeakPolarHBondContact OG1-CE 2.92Å; F322-M334 HydrophobicContact CB-CB 4.27Å; L323-M334 PolarHBondContact O-N 3.02Å; M334-Y457 PolarHBondContact O-OH 2.71Å
335M93.3Very high89.1Confident8 Ų838 Ų384%0.03920%0.197CC..EExtended strand (participates in β ladder)trans-79.8140.3172.4-67.9-60.2103.400110.8M117 F322 L323 V325 P333 H337 A362 I363M117-M335 HydrophobicContact CE-CE 3.32Å; F322-M335 CarbonylContact C-O 3.59Å; F322-M335 VanDerWaalsContact CA-O 3.31Å; F322-M335 WeakPolarHBondContact CA-O 3.36Å; L323-M335 PolarHBondContact N-O 3.35Å; L323-M335 PolarHBondContact O-N 3.35Å; V325-M335 HydrophobicContact CB-CB 4.11Å; V325-M335 HydrophobicContact CB-CG 3.78Å; V325-M335 HydrophobicContact CG2-CB 3.46Å; V325-M335 VanDerWaalsContact CG2-CB 3.46Å; V325-M335 HydrophobicContact CG2-CG 3.73Å; P333-M335 VanDerWaalsContact C-N 3.31Å; P333-M335 WeakPolarHBondContact O-CE 3.32Å; P333-M335 PolarHBondContact O-N 3.12Å; M335-H337 PolarHBondContact O-CE1 3.02Å; M335-H337 PolarHBondContact O-ND1 3.33Å; M335-A362 HydrophobicContact CE-CB 4.43Å; M335-A362 HydrophobicContact SD-CB 3.95Å; M335-I363 HydrophobicContact SD-CG1 3.76Å
336P92.4Very high89.2Confident2 Ų242.2 Ų42.21%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-82.6130.9-168.438-41.1000112.4F322 I356 A362 F461F322-P336 HydrophobicContact CD1-CB 3.67Å; F322-P336 HydrophobicContact CE1-CB 3.58Å; P336-I356 HydrophobicContact CB-CD1 3.38Å; P336-I356 HydrophobicContact CG-CD1 3.74Å; P336-I356 WeakPolarHBondContact O-CD1 3.29Å; P336-A362 HydrophobicContact CG-CB 4.04Å; P336-F461 HydrophobicContact CB-CB 4.1Å; P336-F461 HydrophobicContact CB-CD1 3.79Å; P336-F461 HydrophobicContact CB-CE1 4.4Å; P336-F461 HydrophobicContact CB-CG 3.98Å; P336-F461 HydrophobicContact CG-CD1 3.5Å; P336-F461 VanDerWaalsContact CG-CD1 3.5Å; P336-F461 HydrophobicContact CG-CD2 4.36Å; P336-F461 HydrophobicContact CG-CE1 3.6Å; P336-F461 HydrophobicContact CG-CE2 4.49Å; P336-F461 HydrophobicContact CG-CG 3.9Å; P336-F461 HydrophobicContact CG-CZ 4.14Å
337H92.1Very high89.4Confident6 Ų638 Ų383%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-136.5152.5-179.3-62.981000111.4R320 V321 L323 V325 M335 T354R320-H337 VanDerWaalsContact CZ-O 3.3Å; R320-H337 PolarHBondContact NE-O 2.91Å; R320-H337 PolarHBondContact NH2-O 2.93Å; V321-H337 HydrophobicContact CG2-CB 3.94Å; V321-H337 PolarHBondContact N-O 2.95Å; V321-H337 PolarHBondContact O-N 3.17Å; V321-H337 VanDerWaalsContact O-O 3.13Å; L323-H337 HydrophobicContact CD1-CB 4.37Å; V325-H337 VanDerWaalsContact CG2-CE1 3.44Å; V325-H337 WeakPolarHBondContact CG2-CE1 3.03Å; M335-H337 PolarHBondContact O-CE1 3.02Å; M335-H337 PolarHBondContact O-ND1 3.33Å; H337-T354 VanDerWaalsContact CA-O 3.27Å; H337-T354 WeakPolarHBondContact CA-O 3.16Å; H337-T354 WeakPolarHBondContact CB-O 3.33Å
338S91.4Very high90.1Very high1 Ų133.9 Ų33.91%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-98.2125.7173.2-640000107.6E199 R320 L353 T354E199-S338 PolarHBondContact OE1-OG 3.44Å; R320-S338 VanDerWaalsContact NH2-CB 3.31Å; R320-S338 PolarHBondContact NH2-OG 3.28Å; S338-L353 CarbonylContact O-C 3.53Å; S338-L353 VanDerWaalsContact O-CA 3.27Å; S338-L353 WeakPolarHBondContact O-CA 2.94Å; S338-T354 VanDerWaalsContact CB-OG1 3.23Å; S338-T354 WeakPolarHBondContact CB-OG1 2.78Å; S338-T354 PolarHBondContact N-O 3.27Å; S338-T354 PolarHBondContact O-N 3.19Å
339M92.9Very high91Very high2 Ų224.5 Ų24.51%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-100.9114.4173.3-176.3-170-174.200109.5L232 M235 A236 P318 R319 V321 C341 V351 L352 L353L232-M339 HydrophobicContact CB-CE 4.08Å; L232-M339 HydrophobicContact CD2-CE 3.92Å; L232-M339 HydrophobicContact CD2-CG 4.23Å; L232-M339 HydrophobicContact CD2-SD 3.51Å; L232-M339 VanDerWaalsContact CD2-SD 3.51Å; L232-M339 WeakPolarHBondContact O-CE 3.26Å; M235-M339 HydrophobicContact CB-CE 4.25Å; M235-M339 HydrophobicContact CB-SD 4.31Å; A236-M339 HydrophobicContact CB-CE 4.12Å; P318-M339 WeakPolarHBondContact CA-O 3.21Å; R319-M339 HydrophobicContact CB-CB 4.43Å; R319-M339 PolarHBondContact N-O 3.07Å; R319-M339 PolarHBondContact O-N 3.22Å; V321-M339 HydrophobicContact CG1-CB 3.85Å; V321-M339 HydrophobicContact CG1-SD 4.04Å; V321-M339 HydrophobicContact CG2-CB 3.92Å; M339-C341 WeakPolarHBondContact CE-SG 3.25Å; M339-V351 HydrophobicContact CE-CG1 3.88Å; M339-V351 HydrophobicContact CE-CG2 4.49Å; M339-V351 HydrophobicContact CG-CG1 3.97Å; M339-L352 WeakPolarHBondContact CA-O 3.27Å; M339-L353 HydrophobicContact CB-CD2 3.78Å; M339-L353 HydrophobicContact CG-CD2 3.91Å
340Y92.6Very high91.9Very high2 Ų219.2 Ų19.21%0.00812%0.117CC..EExtended strand (participates in β ladder)trans-100.5123.2170-60.1-96.3000108.4E199 P318 V351 L352 T354 R473 L474 Q479E199-Y340 VanDerWaalsContact CD-OH 3.23Å; E199-Y340 PolarHBondContact OE1-OH 3.48Å; E199-Y340 WeakPolarHBondContact OE2-CE2 3.39Å; E199-Y340 VanDerWaalsContact OE2-CZ 3.26Å; E199-Y340 PolarHBondContact OE2-OH 3.16Å; P318-Y340 HydrophobicContact CB-CD1 3.85Å; P318-Y340 HydrophobicContact CB-CD2 4.31Å; P318-Y340 HydrophobicContact CB-CE1 3.49Å; P318-Y340 VanDerWaalsContact CB-CE1 3.49Å; P318-Y340 HydrophobicContact CB-CE2 3.97Å; P318-Y340 HydrophobicContact CB-CG 4.24Å; P318-Y340 HydrophobicContact CG-CD1 4.45Å; P318-Y340 HydrophobicContact CG-CE1 3.68Å; Y340-V351 VanDerWaalsContact O-CA 3.31Å; Y340-V351 WeakPolarHBondContact O-CA 3.19Å; Y340-L352 HydrophobicContact CD2-CB 4.49Å; Y340-L352 PolarHBondContact N-O 2.8Å; Y340-L352 PolarHBondContact O-N 2.67Å; Y340-T354 HydrophobicContact CD2-CG2 4.04Å; Y340-T354 HydrophobicContact CE2-CG2 3.64Å; Y340-R473 WeakPolarHBondContact OH-CA 2.99Å; Y340-L474 HydrophobicContact CD1-CD1 4.5Å; Y340-L474 HydrophobicContact CD2-CD1 3.92Å; Y340-L474 HydrophobicContact CE1-CB 3.94Å; Y340-L474 HydrophobicContact CE1-CD1 4.29Å; Y340-L474 HydrophobicContact CE1-CG 4.24Å; Y340-L474 HydrophobicContact CE2-CB 4.47Å; Y340-L474 HydrophobicContact CE2-CD1 3.69Å; Y340-L474 HydrophobicContact CE2-CG 3.87Å; Y340-L474 HydrophobicContact CG-CD1 4.33Å; Y340-L474 PolarHBondContact OH-N 3.28Å; Y340-Q479 HydrophobicContact CD1-CG 4.15Å; Y340-Q479 HydrophobicContact CE1-CG 4.37Å
341C92.8Very high92.5Very high4 Ų417.9 Ų17.93%0.02710%0.103CC..EExtended strand (participates in β ladder)trans-112.1108.5175.2-63.60000109.2M239 Y240 M339 T349M239-C341 HydrophobicContact CE-CB 3.93Å; M239-C341 HydrophobicContact SD-CB 3.88Å; Y240-C341 HydrophobicContact CD2-CB 4.32Å; Y240-C341 HydrophobicContact CE2-CB 3.71Å; Y240-C341 VanDerWaalsContact CE2-O 3.27Å; Y240-C341 WeakPolarHBondContact CE2-O 3.37Å; Y240-C341 PolarHBondContact OH-O 2.89Å; M339-C341 WeakPolarHBondContact CE-SG 3.25Å; C341-T349 HydrophobicContact CB-CG2 4.36Å
342L93.1Very high92.8Very high9 Ų913.9 Ų13.95%0.0478%0.082CC..EExtended strand (participates in β ladder)trans-108.1109-177.1-54.6176.6000108.8L344 L350 L352 Q479 A482 Q483L342-L344 PolarHBondContact O-N 3.22Å; L342-L350 HydrophobicContact CB-CB 4.32Å; L342-L350 HydrophobicContact CD1-CD2 4.1Å; L342-L350 PolarHBondContact N-O 2.88Å; L342-L350 PolarHBondContact O-N 2.99Å; L342-L352 HydrophobicContact CD1-CD1 4.23Å; L342-Q479 HydrophobicContact CD1-CB 4.45Å; L342-Q479 HydrophobicContact CD2-CB 4.16Å; L342-A482 HydrophobicContact CD1-CB 4.17Å; L342-Q483 HydrophobicContact CB-CG 4.42Å; L342-Q483 HydrophobicContact CD1-CB 4.44Å
343S92.4Very high93Very high29 Ų2913.3 Ų13.320%0.2038%0.08CC..EExtended strand (participates in β ladder)trans-68.2113.4177.8176.70000110.4Q483 R487S343-Q483 PolarHBondContact O-NE2 3.3Å; S343-R487 PolarHBondContact O-NH2 2.83Å
344L93.3Very high93Very high0 Ų011.6 Ų11.60%07%0.069CC..EExtended strand (participates in β ladder)trans-81.4-49.8177.6-57.4177.7000109.7V206 L342 I348 L350 Q483 V486 R487 L490V206-L344 HydrophobicContact CG1-CD1 4.39Å; L342-L344 PolarHBondContact O-N 3.22Å; L344-I348 WeakPolarHBondContact CA-O 3.4Å; L344-I348 HydrophobicContact CB-CB 4.44Å; L344-I348 HydrophobicContact CB-CG2 4.22Å; L344-I348 WeakPolarHBondContact CB-O 3.14Å; L344-I348 HydrophobicContact CD1-CG2 3.96Å; L344-I348 PolarHBondContact N-O 2.92Å; L344-L350 HydrophobicContact CD1-CB 4.1Å; L344-L350 HydrophobicContact CD2-CB 4.09Å; L344-L350 HydrophobicContact CG-CB 4.09Å; L344-Q483 HydrophobicContact CD2-CG 3.89Å; L344-V486 HydrophobicContact CD1-CB 4.13Å; L344-V486 HydrophobicContact CD1-CG1 3.53Å; L344-V486 HydrophobicContact CD2-CB 4.05Å; L344-V486 HydrophobicContact CD2-CG1 4.37Å; L344-R487 HydrophobicContact CB-CG 4.19Å; L344-R487 HydrophobicContact CD2-CG 3.98Å; L344-R487 PolarHBondContact O-NE 2.89Å; L344-R487 PolarHBondContact O-NH2 3.45Å; L344-L490 HydrophobicContact CD1-CD1 4.36Å
345W93Very high92.8Very high45 Ų4514.9 Ų14.917%0.178%0.083CC..EExtended strand (participates in β ladder)trans-148.6166.9172.1-65-81000108.4G347 I348 R487 L490 V491 K494W345-G347 PolarHBondContact O-N 2.98Å; W345-G347 VanDerWaalsContact O-N 3.16Å; W345-I348 HydrophobicContact CE3-CB 4.22Å; W345-I348 HydrophobicContact CE3-CD1 4.01Å; W345-I348 HydrophobicContact CE3-CG2 4.35Å; W345-I348 PolarHBondContact N-O 2.94Å; W345-I348 VanDerWaalsContact N-O 3.14Å; W345-I348 CarbonylContact O-C 3.58Å; W345-I348 PolarHBondContact O-N 3.5Å; W345-R487 HydrophobicContact CH2-CB 4.03Å; W345-R487 HydrophobicContact CH2-CG 4.04Å; W345-R487 VanDerWaalsContact CH2-O 3.28Å; W345-R487 WeakPolarHBondContact CH2-O 3.41Å; W345-R487 HydrophobicContact CZ2-CB 4.04Å; W345-R487 HydrophobicContact CZ2-CG 3.98Å; W345-R487 HydrophobicContact CZ3-CG 4.41Å; W345-L490 HydrophobicContact CH2-CB 4.05Å; W345-L490 HydrophobicContact CZ3-CB 3.92Å; W345-V491 HydrophobicContact CH2-CB 4.47Å; W345-V491 HydrophobicContact CZ2-CB 4.28Å; W345-V491 HydrophobicContact CZ2-CG2 4.41Å; W345-K494 HydrophobicContact CD2-CD 3.98Å; W345-K494 HydrophobicContact CD2-CG 3.96Å; W345-K494 HydrophobicContact CE3-CG 4.2Å; W345-K494 HydrophobicContact CG-CD 3.88Å; W345-K494 HydrophobicContact CG-CG 4.15Å
346P90.2Very high92.2Very high109 Ų10915.2 Ų15.271%0.7089%0.085SC*.THydrogen-bonded Turntrans-50.5125.1167-26.635.9000110.5I348P346-I348 VanDerWaalsContact C-N 3.32Å; P346-I348 PolarHBondContact O-N 3.41Å
347G89.4Confident91.3Very high9 Ų918.8 Ų18.89%0.09311%0.11CC..THydrogen-bonded Turntrans75.64.8-175.900000116V208 H209 W345V208-G347 CarbonylContact C-O 3.56Å; V208-G347 VanDerWaalsContact CA-O 3.29Å; V208-G347 WeakPolarHBondContact CA-O 3.28Å; H209-G347 PolarHBondContact N-O 2.87Å; W345-G347 PolarHBondContact O-N 2.98Å; W345-G347 VanDerWaalsContact O-N 3.16Å
348I94.4Very high90.6Very high0 Ų020.5 Ų20.50%012%0.122CC..EExtended strand (participates in β ladder)trans-132.4119.2172.1-51.3-176.9000110.4V206 L207 V208 L344 W345 P346 K494 L497 L498V206-I348 HydrophobicContact CG1-CG2 3.96Å; L207-I348 CarbonylContact O-C 3.57Å; L207-I348 VanDerWaalsContact O-CA 3.29Å; L207-I348 WeakPolarHBondContact O-CA 3.42Å; V208-I348 HydrophobicContact CG1-CG1 4.25Å; V208-I348 HydrophobicContact CG2-CG1 4.35Å; V208-I348 HydrophobicContact CG2-CG2 4.35Å; L344-I348 WeakPolarHBondContact CA-O 3.4Å; L344-I348 HydrophobicContact CB-CB 4.44Å; L344-I348 HydrophobicContact CB-CG2 4.22Å; L344-I348 WeakPolarHBondContact CB-O 3.14Å; L344-I348 HydrophobicContact CD1-CG2 3.96Å; L344-I348 PolarHBondContact N-O 2.92Å; W345-I348 HydrophobicContact CE3-CB 4.22Å; W345-I348 HydrophobicContact CE3-CD1 4.01Å; W345-I348 HydrophobicContact CE3-CG2 4.35Å; W345-I348 PolarHBondContact N-O 2.94Å; W345-I348 VanDerWaalsContact N-O 3.14Å; W345-I348 CarbonylContact O-C 3.58Å; W345-I348 PolarHBondContact O-N 3.5Å; P346-I348 VanDerWaalsContact C-N 3.32Å; P346-I348 PolarHBondContact O-N 3.41Å; I348-K494 HydrophobicContact CD1-CG 4.13Å; I348-L497 HydrophobicContact CD1-CB 4.49Å; I348-L498 HydrophobicContact CD1-CD2 4.24Å; I348-L498 HydrophobicContact CD1-CG 4.24Å; I348-L498 HydrophobicContact CG1-CD2 3.87Å; I348-L498 HydrophobicContact CG1-CG 4.43Å
349T94.9Very high90Very high4 Ų421.4 Ų21.43%0.02513%0.129CC..EExtended strand (participates in β ladder)trans-130.1134.1-174.5-57.50000111.1V206 L207 Y240 C341 V351V206-T349 WeakPolarHBondContact CA-O 3.12Å; L207-T349 PolarHBondContact N-O 2.7Å; L207-T349 PolarHBondContact O-N 3.31Å; Y240-T349 HydrophobicContact CD2-CG2 4.06Å; Y240-T349 HydrophobicContact CE2-CG2 4.44Å; C341-T349 HydrophobicContact CB-CG2 4.36Å; T349-V351 HydrophobicContact CG2-CG2 4.3Å
350L96.1Very high89.7Confident0 Ų024.4 Ų24.40%015%0.154CC..EExtended strand (participates in β ladder)trans-91.8127.7168.1171.768000109L182 L186 V206 L342 L344 L352 V486L182-L350 HydrophobicContact CD2-CD1 4.23Å; L186-L350 HydrophobicContact CD2-CD1 4.16Å; L186-L350 HydrophobicContact CD2-CD2 4.14Å; V206-L350 HydrophobicContact CG2-CD1 4.01Å; L342-L350 HydrophobicContact CB-CB 4.32Å; L342-L350 HydrophobicContact CD1-CD2 4.1Å; L342-L350 PolarHBondContact N-O 2.88Å; L342-L350 PolarHBondContact O-N 2.99Å; L344-L350 HydrophobicContact CD1-CB 4.1Å; L344-L350 HydrophobicContact CD2-CB 4.09Å; L344-L350 HydrophobicContact CG-CB 4.09Å; L350-L352 HydrophobicContact CD1-CD2 4.01Å; L350-L352 HydrophobicContact CD2-CD2 4.33Å; L350-L352 HydrophobicContact CD2-CG 4.49Å; L350-L352 HydrophobicContact CG-CD2 4.15Å; L350-L352 HydrophobicContact CG-CG 4.31Å; L350-V486 HydrophobicContact CD1-CG2 4.4Å; L350-V486 HydrophobicContact CD2-CB 4.42Å; L350-V486 HydrophobicContact CD2-CG2 3.64Å
351V95.9Very high89.6Confident0 Ų026.2 Ų26.20%016%0.163CC..EExtended strand (participates in β ladder)trans-114.1128.4174.3-175.70000109.4A204 F205 L207 A236 M339 Y340 T349A204-V351 WeakPolarHBondContact CA-O 3.43Å; F205-V351 HydrophobicContact CD1-CB 4.3Å; F205-V351 HydrophobicContact CD2-CB 3.9Å; F205-V351 HydrophobicContact CD2-CG2 4.23Å; F205-V351 HydrophobicContact CE1-CB 3.9Å; F205-V351 HydrophobicContact CE1-CG1 3.74Å; F205-V351 HydrophobicContact CE2-CB 3.48Å; F205-V351 VanDerWaalsContact CE2-CB 3.48Å; F205-V351 HydrophobicContact CE2-CG1 3.93Å; F205-V351 HydrophobicContact CE2-CG2 3.64Å; F205-V351 HydrophobicContact CG-CB 4.3Å; F205-V351 HydrophobicContact CZ-CB 3.49Å; F205-V351 VanDerWaalsContact CZ-CB 3.49Å; F205-V351 HydrophobicContact CZ-CG1 3.4Å; F205-V351 HydrophobicContact CZ-CG2 4.01Å; F205-V351 PolarHBondContact N-O 3.45Å; F205-V351 PolarHBondContact O-N 3.4Å; L207-V351 HydrophobicContact CD1-CG2 4.03Å; A236-V351 HydrophobicContact CB-CG2 4.35Å; M339-V351 HydrophobicContact CE-CG1 3.88Å; M339-V351 HydrophobicContact CE-CG2 4.49Å; M339-V351 HydrophobicContact CG-CG1 3.97Å; Y340-V351 VanDerWaalsContact O-CA 3.31Å; Y340-V351 WeakPolarHBondContact O-CA 3.19Å; T349-V351 HydrophobicContact CG2-CG2 4.3Å
352L95.3Very high89.5Confident1 Ų126 Ų261%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-116.2131.7173.3-51.8173.7000108.9L186 L190 V201 A204 M339 Y340 L342 L350 A482L186-L352 HydrophobicContact CD2-CD2 4.09Å; L190-L352 HydrophobicContact CD1-CD1 3.87Å; V201-L352 HydrophobicContact CG1-CD2 4.42Å; A204-L352 HydrophobicContact CB-CD2 3.59Å; M339-L352 WeakPolarHBondContact CA-O 3.27Å; Y340-L352 HydrophobicContact CD2-CB 4.49Å; Y340-L352 PolarHBondContact N-O 2.8Å; Y340-L352 PolarHBondContact O-N 2.67Å; L342-L352 HydrophobicContact CD1-CD1 4.23Å; L350-L352 HydrophobicContact CD1-CD2 4.01Å; L350-L352 HydrophobicContact CD2-CD2 4.33Å; L350-L352 HydrophobicContact CD2-CG 4.49Å; L350-L352 HydrophobicContact CG-CD2 4.15Å; L350-L352 HydrophobicContact CG-CG 4.31Å; L352-A482 HydrophobicContact CD1-CB 4.46Å
353L94.4Very high89.4Confident0 Ų026.9 Ų26.90%017%0.166CC..EExtended strand (participates in β ladder)trans-111.4122.3171.6-61.6174.1000109.5L202 H203 F205 L224 L232 V321 L323 S338 M339L202-L353 PolarHBondContact N-O 2.59Å; H203-L353 HydrophobicContact CB-CB 4.04Å; H203-L353 HydrophobicContact CB-CD1 4.05Å; H203-L353 HydrophobicContact CB-CG 4.37Å; H203-L353 PolarHBondContact N-O 2.7Å; H203-L353 PolarHBondContact O-N 2.9Å; F205-L353 HydrophobicContact CE1-CD1 4.22Å; F205-L353 HydrophobicContact CE1-CG 4.43Å; L224-L353 HydrophobicContact CD1-CD1 3.63Å; L224-L353 HydrophobicContact CD2-CD1 4.35Å; L232-L353 HydrophobicContact CD1-CD1 3.76Å; L232-L353 HydrophobicContact CD1-CD2 4.4Å; L232-L353 HydrophobicContact CD2-CD2 4.13Å; V321-L353 HydrophobicContact CG2-CD2 4.16Å; L323-L353 HydrophobicContact CD1-CD1 3.86Å; L323-L353 HydrophobicContact CD1-CD2 4.41Å; S338-L353 CarbonylContact O-C 3.53Å; S338-L353 VanDerWaalsContact O-CA 3.27Å; S338-L353 WeakPolarHBondContact O-CA 2.94Å; M339-L353 HydrophobicContact CB-CD2 3.78Å; M339-L353 HydrophobicContact CG-CD2 3.91Å
354T91.3Very high89.4Confident0 Ų027.3 Ų27.30%017%0.169CC..EExtended strand (participates in β ladder)trans-108.8149.2176.875.70000112.1E199 E200 V201 H337 S338 Y340 L474E199-T354 HydrophobicContact CB-CG2 4.26Å; E199-T354 PolarHBondContact OE2-OG1 3.26Å; E200-T354 CarbonylContact O-C 3.48Å; E200-T354 WeakPolarHBondContact O-CA 3.47Å; E200-T354 WeakPolarHBondContact O-CB 3.36Å; V201-T354 HydrophobicContact CB-CG2 4.46Å; V201-T354 HydrophobicContact CG2-CG2 3.88Å; H337-T354 VanDerWaalsContact CA-O 3.27Å; H337-T354 WeakPolarHBondContact CA-O 3.16Å; H337-T354 WeakPolarHBondContact CB-O 3.33Å; S338-T354 VanDerWaalsContact CB-OG1 3.23Å; S338-T354 WeakPolarHBondContact CB-OG1 2.78Å; S338-T354 PolarHBondContact N-O 3.27Å; S338-T354 PolarHBondContact O-N 3.19Å; Y340-T354 HydrophobicContact CD2-CG2 4.04Å; Y340-T354 HydrophobicContact CE2-CG2 3.64Å; T354-L474 HydrophobicContact CG2-CD1 3.92Å; T354-L474 HydrophobicContact CG2-CG 4.27Å
355K86.6Confident89.5Confident82 Ų8227.3 Ų27.336%0.35717%0.169SC..EExtended strand (participates in β ladder)trans-82.3135.7169.4-171.4-178.9173.8-1740109.9E200 L202 S359E200-K355 HydrophobicContact CB-CB 4.49Å; E200-K355 PolarHBondContact N-O 2.97Å; E200-K355 PolarHBondContact O-N 3.23Å; L202-K355 HydrophobicContact CD1-CB 3.68Å; L202-K355 HydrophobicContact CD1-CD 4.35Å; L202-K355 HydrophobicContact CD1-CG 4.26Å; L202-K355 HydrophobicContact CD2-CB 4.33Å; L202-K355 HydrophobicContact CG-CB 3.83Å; K355-S359 WeakPolarHBondContact CE-OG 3.42Å
356I81.5Confident89.5Confident15 Ų1527.5 Ų27.58%0.07717%0.171CC..  trans-81.3139.9172.2-49.8170.1000109.9R320 P336 S358 S359 F461R320-I356 VanDerWaalsContact NH2-CD1 3.26Å; R320-I356 VanDerWaalsContact NH2-CG1 3.31Å; P336-I356 HydrophobicContact CB-CD1 3.38Å; P336-I356 HydrophobicContact CG-CD1 3.74Å; P336-I356 WeakPolarHBondContact O-CD1 3.29Å; I356-S358 PolarHBondContact O-N 3.4Å; I356-S359 WeakPolarHBondContact O-CB 3.22Å; I356-S359 PolarHBondContact O-N 3.4Å; I356-S359 VanDerWaalsContact O-N 3.17Å; I356-F461 HydrophobicContact CD1-CD1 3.95Å; I356-F461 HydrophobicContact CD1-CE1 4.47Å; I356-F461 HydrophobicContact CG2-CE1 4.45Å
357S73.9Confident89.6Confident77 Ų7725.7 Ų25.754%0.53815%0.151SC..THydrogen-bonded Turntrans-53.9-34.2178.752.20000114S359S357-S359 PolarHBondContact O-N 3.38Å
358S76.6Confident89.9Confident42 Ų4226.3 Ų26.329%0.29415%0.151SC..THydrogen-bonded Turntrans-90.218.5-178.952.10000114.7I356 A360 L361 F461I356-S358 PolarHBondContact O-N 3.4Å; S358-A360 PolarHBondContact O-N 2.9Å; S358-L361 WeakPolarHBondContact O-CB 3.21Å; S358-L361 PolarHBondContact O-N 2.9Å; S358-F461 WeakPolarHBondContact O-CZ 3.21Å; S358-F461 WeakPolarHBondContact OG-CE1 3.49Å
359S79.1Confident89.9Confident20 Ų2026.8 Ų26.814%0.1415%0.153CC..Hα-helixtrans-56.5-27.6-177.8770000114.6K355 I356 S357 L361 A362 I363K355-S359 WeakPolarHBondContact CE-OG 3.42Å; I356-S359 WeakPolarHBondContact O-CB 3.22Å; I356-S359 PolarHBondContact O-N 3.4Å; I356-S359 VanDerWaalsContact O-N 3.17Å; S357-S359 PolarHBondContact O-N 3.38Å; S359-L361 VanDerWaalsContact C-N 3.27Å; S359-L361 PolarHBondContact O-N 3.13Å; S359-A362 PolarHBondContact O-N 3.32Å; S359-I363 PolarHBondContact O-N 2.9Å; S359-I363 VanDerWaalsContact O-N 3.16Å
360A87.2Confident89.7Confident65 Ų6530.2 Ų30.254%0.53717%0.169SC..Hα-helixtrans-65.8-30.6177.800000112.7S358 S364S358-A360 PolarHBondContact O-N 2.9Å; A360-S364 PolarHBondContact O-N 2.88Å; A360-S364 PolarHBondContact O-OG 2.96Å
361L89.6Confident89.6Confident39 Ų3931.9 Ų31.920%0.20418%0.178CC..Hα-helixtrans-67.7-44.6174.6-177.4145000110.3S358 S359 I363 S364 V365 F405 L409 I456 C460 F461S358-L361 WeakPolarHBondContact O-CB 3.21Å; S358-L361 PolarHBondContact O-N 2.9Å; S359-L361 VanDerWaalsContact C-N 3.27Å; S359-L361 PolarHBondContact O-N 3.13Å; L361-I363 PolarHBondContact O-N 2.95Å; L361-S364 WeakPolarHBondContact O-CB 3.42Å; L361-S364 PolarHBondContact O-N 2.8Å; L361-S364 VanDerWaalsContact O-N 3.13Å; L361-V365 HydrophobicContact CD2-CG2 4.13Å; L361-V365 WeakPolarHBondContact O-CG2 3.45Å; L361-V365 PolarHBondContact O-N 2.93Å; L361-F405 HydrophobicContact CG-CE2 4.43Å; L361-L409 HydrophobicContact CD1-CD2 3.52Å; L361-L409 HydrophobicContact CG-CD2 4.47Å; L361-I456 HydrophobicContact CD2-CG2 4.47Å; L361-C460 HydrophobicContact CD2-CB 4.2Å; L361-F461 HydrophobicContact CB-CZ 4.42Å; L361-F461 HydrophobicContact CD2-CE2 3.59Å; L361-F461 HydrophobicContact CD2-CZ 3.88Å
362A91.3Very high89.4Confident0 Ų032 Ų320%018%0.179CC..Hα-helixtrans-57.6-47.2175.200000112M117 M335 P336 S359 S364 V365 Y366 Y457 F461M117-A362 HydrophobicContact CE-CB 3.98Å; M117-A362 WeakPolarHBondContact CE-O 3.47Å; M335-A362 HydrophobicContact CE-CB 4.43Å; M335-A362 HydrophobicContact SD-CB 3.95Å; P336-A362 HydrophobicContact CG-CB 4.04Å; S359-A362 PolarHBondContact O-N 3.32Å; A362-S364 VanDerWaalsContact C-N 3.28Å; A362-S364 PolarHBondContact O-N 3.4Å; A362-V365 PolarHBondContact O-N 3.43Å; A362-Y366 PolarHBondContact O-N 3.48Å; A362-Y457 HydrophobicContact CB-CD2 4.26Å; A362-Y457 HydrophobicContact CB-CE2 3.96Å; A362-F461 HydrophobicContact CB-CE2 3.76Å; A362-F461 HydrophobicContact CB-CZ 3.81Å
363I91.6Very high89.2Confident27 Ų2734.1 Ų34.114%0.13819%0.19CC..Hα-helixtrans-58.2-42.7176-67.7170.9000111Y332 M335 S359 L361 Y366 K367Y332-I363 HydrophobicContact CD1-CG1 4.46Å; Y332-I363 HydrophobicContact CD1-CG2 4.07Å; Y332-I363 HydrophobicContact CE1-CG2 3.69Å; M335-I363 HydrophobicContact SD-CG1 3.76Å; S359-I363 PolarHBondContact O-N 2.9Å; S359-I363 VanDerWaalsContact O-N 3.16Å; L361-I363 PolarHBondContact O-N 2.95Å; I363-Y366 PolarHBondContact O-N 3.18Å; I363-K367 HydrophobicContact CG2-CD 4.3Å; I363-K367 WeakPolarHBondContact O-CG 3.49Å; I363-K367 PolarHBondContact O-N 3.03Å
364S92.4Very high89Confident39 Ų3937.7 Ų37.727%0.27321%0.205SC..Hα-helixtrans-64.7-45.4179.4-58.50000111.5A360 L361 A362 Y366 K367 Y368A360-S364 PolarHBondContact O-N 2.88Å; A360-S364 PolarHBondContact O-OG 2.96Å; L361-S364 WeakPolarHBondContact O-CB 3.42Å; L361-S364 PolarHBondContact O-N 2.8Å; L361-S364 VanDerWaalsContact O-N 3.13Å; A362-S364 VanDerWaalsContact C-N 3.28Å; A362-S364 PolarHBondContact O-N 3.4Å; S364-Y366 PolarHBondContact O-N 3.11Å; S364-K367 PolarHBondContact O-N 2.99Å; S364-Y368 WeakPolarHBondContact O-CD2 3.14Å; S364-Y368 PolarHBondContact O-N 3.1Å; S364-Y368 VanDerWaalsContact O-N 3.11Å
365V94Very high88.9Confident0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-57.7-48.7175.4172.10000110.7M117 L361 A362 K367 Y368 L369 F405 L453M117-V365 HydrophobicContact SD-CG1 4.21Å; L361-V365 HydrophobicContact CD2-CG2 4.13Å; L361-V365 WeakPolarHBondContact O-CG2 3.45Å; L361-V365 PolarHBondContact O-N 2.93Å; A362-V365 PolarHBondContact O-N 3.43Å; V365-K367 PolarHBondContact O-N 2.84Å; V365-Y368 PolarHBondContact O-N 2.94Å; V365-L369 HydrophobicContact CG1-CD1 3.94Å; V365-L369 HydrophobicContact CG1-CG 4.28Å; V365-L369 WeakPolarHBondContact O-CG 3.47Å; V365-L369 PolarHBondContact O-N 3.18Å; V365-F405 HydrophobicContact CG2-CZ 3.85Å; V365-L453 HydrophobicContact CG1-CB 4.19Å
366Y94.1Very high89.1Confident49 Ų4935 Ų3519%0.19220%0.195CC..Hα-helixtrans-58.6-46.3178.1-179.7-97.7000112.6M117 Y332 P333 A362 I363 S364 Y368 L369 E370M117-Y366 HydrophobicContact SD-CD2 4.19Å; Y332-Y366 AromaticContact CD1-CD1 3.41Å; Y332-Y366 HydrophobicContact CD1-CD1 3.41Å; Y332-Y366 VanDerWaalsContact CD1-CD1 3.41Å; Y332-Y366 AromaticContact CD1-CE1 3.99Å; Y332-Y366 HydrophobicContact CD1-CE1 3.99Å; Y332-Y366 HydrophobicContact CD1-CG 4.17Å; Y332-Y366 AromaticContact CE1-CD1 3.82Å; Y332-Y366 HydrophobicContact CE1-CD1 3.82Å; Y332-Y366 HydrophobicContact CE1-CE1 4.37Å; Y332-Y366 HydrophobicContact CG-CD1 4.47Å; P333-Y366 WeakPolarHBondContact CD-OH 3.29Å; P333-Y366 HydrophobicContact CG-CD2 4.28Å; P333-Y366 HydrophobicContact CG-CE2 3.47Å; P333-Y366 VanDerWaalsContact CG-CE2 3.47Å; A362-Y366 PolarHBondContact O-N 3.48Å; I363-Y366 PolarHBondContact O-N 3.18Å; S364-Y366 PolarHBondContact O-N 3.11Å; Y366-Y368 VanDerWaalsContact C-N 3.27Å; Y366-Y368 PolarHBondContact O-N 2.95Å; Y366-L369 WeakPolarHBondContact O-CB 3.15Å; Y366-L369 PolarHBondContact O-N 2.87Å; Y366-L369 VanDerWaalsContact O-N 3.13Å; Y366-E370 PolarHBondContact O-N 3.09Å
367K92.9Very high89.4Confident70 Ų7040 Ų4030%0.30422%0.216SC..Hα-helixtrans-56.4-43.3177.1-74.7179.3176.4-178.20111.5D329 Y332 I363 S364 V365 E370 D371D329-K367 IonicContact OD2-NZ 2.84Å; D329-K367 PolarHBondContact OD2-NZ 3.38Å; Y332-K367 HydrophobicContact CE1-CG 3.97Å; Y332-K367 WeakPolarHBondContact OH-CE 3.2Å; I363-K367 HydrophobicContact CG2-CD 4.3Å; I363-K367 WeakPolarHBondContact O-CG 3.49Å; I363-K367 PolarHBondContact O-N 3.03Å; S364-K367 PolarHBondContact O-N 2.99Å; V365-K367 PolarHBondContact O-N 2.84Å; K367-E370 PolarHBondContact O-N 3.39Å; K367-D371 PolarHBondContact O-N 2.93Å
368Y94.3Very high90Very high23 Ų2340 Ų409%0.0920%0.204CC..Hα-helixtrans-68.4-40.4176.6-65.8-54.6000112.6S364 V365 Y366 E370 D371 F372 K401 M402 F405S364-Y368 WeakPolarHBondContact O-CD2 3.14Å; S364-Y368 PolarHBondContact O-N 3.1Å; S364-Y368 VanDerWaalsContact O-N 3.11Å; V365-Y368 PolarHBondContact O-N 2.94Å; Y366-Y368 VanDerWaalsContact C-N 3.27Å; Y366-Y368 PolarHBondContact O-N 2.95Å; Y368-E370 VanDerWaalsContact C-N 3.27Å; Y368-E370 PolarHBondContact O-N 2.75Å; Y368-D371 PolarHBondContact O-N 3.13Å; Y368-F372 WeakPolarHBondContact O-CD2 3.48Å; Y368-F372 PolarHBondContact O-N 2.74Å; Y368-K401 HydrophobicContact CE1-CB 4.12Å; Y368-K401 WeakPolarHBondContact OH-CB 3.42Å; Y368-K401 PolarHBondContact OH-O 3.34Å; Y368-K401 VanDerWaalsContact OH-O 3.09Å; Y368-M402 HydrophobicContact CD1-CE 3.45Å; Y368-M402 VanDerWaalsContact CD1-CE 3.45Å; Y368-M402 HydrophobicContact CD2-CE 3.7Å; Y368-M402 HydrophobicContact CD2-SD 4.39Å; Y368-M402 HydrophobicContact CE1-CB 4.42Å; Y368-M402 HydrophobicContact CE1-CE 3.96Å; Y368-M402 HydrophobicContact CE2-CE 4.2Å; Y368-M402 HydrophobicContact CE2-SD 4.43Å; Y368-M402 HydrophobicContact CG-CE 3.32Å; Y368-F405 HydrophobicContact CD2-CD1 4.14Å; Y368-F405 HydrophobicContact CD2-CE1 4.36Å; Y368-F405 HydrophobicContact CD2-CG 4.35Å; Y368-F405 HydrophobicContact CE2-CB 3.74Å; Y368-F405 AromaticContact CE2-CD1 3.72Å; Y368-F405 HydrophobicContact CE2-CD1 3.72Å; Y368-F405 AromaticContact CE2-CD2 3.93Å; Y368-F405 HydrophobicContact CE2-CD2 3.93Å; Y368-F405 HydrophobicContact CE2-CE1 4.29Å; Y368-F405 HydrophobicContact CE2-CE2 4.47Å; Y368-F405 AromaticContact CE2-CG 3.51Å; Y368-F405 HydrophobicContact CE2-CG 3.51Å; Y368-F405 WeakPolarHBondContact OH-CB 3.33Å
369L94.2Very high90.5Very high9 Ų938.4 Ų38.45%0.04719%0.192CC..Hα-helixtrans-57.5-43.5174.1-70.9172.3000111.1M117 L120 V365 Y366 F372 D373 K450 L453M117-L369 HydrophobicContact CB-CD1 4.42Å; M117-L369 HydrophobicContact SD-CD1 3.87Å; L120-L369 HydrophobicContact CD1-CD1 4.03Å; V365-L369 HydrophobicContact CG1-CD1 3.94Å; V365-L369 HydrophobicContact CG1-CG 4.28Å; V365-L369 WeakPolarHBondContact O-CG 3.47Å; V365-L369 PolarHBondContact O-N 3.18Å; Y366-L369 WeakPolarHBondContact O-CB 3.15Å; Y366-L369 PolarHBondContact O-N 2.87Å; Y366-L369 VanDerWaalsContact O-N 3.13Å; L369-F372 PolarHBondContact O-N 3.06Å; L369-D373 WeakPolarHBondContact O-CB 3.48Å; L369-D373 PolarHBondContact O-N 2.68Å; L369-K450 HydrophobicContact CD2-CB 3.91Å; L369-K450 HydrophobicContact CD2-CG 4.01Å; L369-K450 WeakPolarHBondContact CD2-O 3.39Å; L369-L453 HydrophobicContact CD2-CB 3.78Å; L369-L453 HydrophobicContact CD2-CD1 4.1Å; L369-L453 HydrophobicContact CG-CB 4.27Å; L369-L453 HydrophobicContact CG-CD1 4.43Å
370E92.3Very high90.7Very high77 Ų7741.9 Ų41.936%0.3621%0.206SC..Hα-helixtrans-64.4-42.5176.6-159.2-158.8177.600112.1Y366 K367 Y368 D373 K374Y366-E370 PolarHBondContact O-N 3.09Å; K367-E370 PolarHBondContact O-N 3.39Å; Y368-E370 VanDerWaalsContact C-N 3.27Å; Y368-E370 PolarHBondContact O-N 2.75Å; E370-D373 PolarHBondContact O-N 3.19Å; E370-K374 VanDerWaalsContact O-CG 3.27Å; E370-K374 WeakPolarHBondContact O-CG 3.38Å; E370-K374 PolarHBondContact O-N 3.39Å; E370-K374 WeakPolarHBondContact OE1-CE 3.31Å; E370-K374 IonicContact OE1-NZ 3.02Å; E370-K374 PolarHBondContact OE1-NZ 3.34Å; E370-K374 IonicContact OE2-NZ 4Å; E370-K374 PolarHBondContact OE2-NZ 3.32Å
371D92.4Very high90.5Very high35 Ų3545.5 Ų45.519%0.18721%0.211CC..Hα-helixtrans-62-42.3175.9-76.9-23.6000111.8K367 Y368 L375 I398K367-D371 PolarHBondContact O-N 2.93Å; Y368-D371 PolarHBondContact O-N 3.13Å; D371-L375 WeakPolarHBondContact O-CB 3.45Å; D371-L375 PolarHBondContact O-N 3.2Å; D371-I398 HydrophobicContact CB-CD1 3.98Å; D371-I398 HydrophobicContact CB-CG1 4.45Å
372F92.3Very high89.3Confident2 Ų244.9 Ų44.91%0.00922%0.215CC..Hα-helixtrans-70.6-33.2175.8-82.7-74.2000112.8Y368 L369 L375 E376 M402 W423 F426 C446 M449 K450 L453Y368-F372 WeakPolarHBondContact O-CD2 3.48Å; Y368-F372 PolarHBondContact O-N 2.74Å; L369-F372 PolarHBondContact O-N 3.06Å; F372-L375 HydrophobicContact CD1-CD2 4.23Å; F372-L375 HydrophobicContact CE1-CD2 4.39Å; F372-L375 PolarHBondContact O-N 3.49Å; F372-E376 VanDerWaalsContact O-CB 3.29Å; F372-E376 WeakPolarHBondContact O-CB 3.49Å; F372-E376 PolarHBondContact O-N 3.44Å; F372-M402 HydrophobicContact CE2-CE 3.86Å; F372-W423 HydrophobicContact CZ-CE3 4.48Å; F372-W423 HydrophobicContact CZ-CZ3 4.02Å; F372-F426 HydrophobicContact CE1-CD2 4.33Å; F372-F426 HydrophobicContact CE1-CE1 4.23Å; F372-F426 AromaticContact CE1-CE2 3.87Å; F372-F426 HydrophobicContact CE1-CE2 3.87Å; F372-F426 AromaticContact CE1-CZ 3.81Å; F372-F426 HydrophobicContact CE1-CZ 3.81Å; F372-C446 HydrophobicContact CD1-CB 4.33Å; F372-M449 HydrophobicContact CD1-CB 4.36Å; F372-M449 HydrophobicContact CD1-CG 4.35Å; F372-M449 HydrophobicContact CD2-CG 4.01Å; F372-M449 HydrophobicContact CE1-CB 4.15Å; F372-M449 HydrophobicContact CE1-CG 3.89Å; F372-M449 HydrophobicContact CE2-CE 4.23Å; F372-M449 HydrophobicContact CE2-CG 3.55Å; F372-M449 HydrophobicContact CG-CG 4.42Å; F372-M449 HydrophobicContact CZ-CB 4.26Å; F372-M449 HydrophobicContact CZ-CE 4.37Å; F372-M449 HydrophobicContact CZ-CG 3.49Å; F372-M449 VanDerWaalsContact CZ-CG 3.49Å; F372-K450 HydrophobicContact CB-CD 4.2Å; F372-K450 HydrophobicContact CB-CG 3.81Å; F372-L453 HydrophobicContact CD2-CD1 4.04Å; F372-L453 HydrophobicContact CE2-CD1 4.32Å
373D90.3Very high87.6Confident45 Ų4553.6 Ų53.624%0.24126%0.255CS..Hα-helixtrans-65.6-45174.2-166.571.7000111.6L369 E370 L375 E376 K377 K450L369-D373 WeakPolarHBondContact O-CB 3.48Å; L369-D373 PolarHBondContact O-N 2.68Å; E370-D373 PolarHBondContact O-N 3.19Å; D373-L375 VanDerWaalsContact C-N 3.29Å; D373-L375 PolarHBondContact O-N 3.07Å; D373-E376 PolarHBondContact O-N 3.33Å; D373-K377 WeakPolarHBondContact O-CG 3.23Å; D373-K377 PolarHBondContact O-N 3.28Å; D373-K377 VanDerWaalsContact OD2-CE 3.31Å; D373-K377 WeakPolarHBondContact OD2-CE 3.27Å; D373-K377 IonicContact OD2-NZ 2.89Å; D373-K377 PolarHBondContact OD2-NZ 2.94Å; D373-K450 IonicContact OD1-NZ 3.71Å; D373-K450 PolarHBondContact OD1-NZ 3.05Å
374K90.9Very high85.4Confident75 Ų7555.9 Ų55.933%0.32629%0.285SS..Hα-helixtrans-62.9-37.2173.8-67.4166.5-178.3159.50111.5E370 R378 L393E370-K374 VanDerWaalsContact O-CG 3.27Å; E370-K374 WeakPolarHBondContact O-CG 3.38Å; E370-K374 PolarHBondContact O-N 3.39Å; E370-K374 WeakPolarHBondContact OE1-CE 3.31Å; E370-K374 IonicContact OE1-NZ 3.02Å; E370-K374 PolarHBondContact OE1-NZ 3.34Å; E370-K374 IonicContact OE2-NZ 4Å; E370-K374 PolarHBondContact OE2-NZ 3.32Å; K374-R378 WeakPolarHBondContact O-CG 3.44Å; K374-R378 PolarHBondContact O-N 3.19Å; K374-L393 HydrophobicContact CB-CD1 3.73Å; K374-L393 HydrophobicContact CB-CD2 4.28Å; K374-L393 HydrophobicContact CD-CD2 4.17Å
375L89.7Confident83.1Confident8 Ų855.9 Ų55.94%0.04229%0.291CS..Hα-helixtrans-65.4-50.2174.5178.661.9000110.9D371 F372 D373 K377 R378 L379 M395 F426 F438D371-L375 WeakPolarHBondContact O-CB 3.45Å; D371-L375 PolarHBondContact O-N 3.2Å; F372-L375 HydrophobicContact CD1-CD2 4.23Å; F372-L375 HydrophobicContact CE1-CD2 4.39Å; F372-L375 PolarHBondContact O-N 3.49Å; D373-L375 VanDerWaalsContact C-N 3.29Å; D373-L375 PolarHBondContact O-N 3.07Å; L375-K377 VanDerWaalsContact C-N 3.33Å; L375-K377 PolarHBondContact O-N 2.81Å; L375-R378 WeakPolarHBondContact O-CB 3.46Å; L375-R378 PolarHBondContact O-N 2.81Å; L375-R378 VanDerWaalsContact O-N 3.11Å; L375-L379 HydrophobicContact CD1-CD1 4.47Å; L375-L379 HydrophobicContact CD1-CD2 4.4Å; L375-L379 HydrophobicContact CD1-CG 4.26Å; L375-L379 HydrophobicContact CG-CD1 4.16Å; L375-L379 HydrophobicContact CG-CG 4.36Å; L375-L379 WeakPolarHBondContact O-CG 3.45Å; L375-L379 PolarHBondContact O-N 3.5Å; L375-M395 HydrophobicContact CD1-SD 4.16Å; L375-M395 HydrophobicContact CD2-CE 4Å; L375-M395 HydrophobicContact CD2-SD 4.09Å; L375-F426 HydrophobicContact CD2-CE2 4.19Å; L375-F426 HydrophobicContact CD2-CZ 3.75Å; L375-F438 HydrophobicContact CD1-CD1 3.9Å; L375-F438 HydrophobicContact CD1-CE1 4.2Å; L375-F438 HydrophobicContact CD2-CE1 4.45Å
376E89.6Confident80.8Confident19 Ų1962.5 Ų62.59%0.08933%0.334CS..Hα-helixtrans-55.2-46.9179.4-179.3173.1-168.400111.6F372 D373 R378 L379 H380 I443 C446 K447 K450F372-E376 VanDerWaalsContact O-CB 3.29Å; F372-E376 WeakPolarHBondContact O-CB 3.49Å; F372-E376 PolarHBondContact O-N 3.44Å; D373-E376 PolarHBondContact O-N 3.33Å; E376-R378 PolarHBondContact O-N 3.27Å; E376-L379 PolarHBondContact O-N 2.73Å; E376-L379 VanDerWaalsContact O-N 3.16Å; E376-H380 PolarHBondContact O-N 2.89Å; E376-H380 PolarHBondContact O-ND1 3.29Å; E376-H380 IonicContact OE1-CE1 3.6Å; E376-I443 HydrophobicContact CG-CG2 4.38Å; E376-C446 HydrophobicContact CB-CB 4.47Å; E376-K447 WeakPolarHBondContact OE1-CE 2.86Å; E376-K447 WeakPolarHBondContact OE1-CG 3.18Å; E376-K450 IonicContact OE2-NZ 3.89Å; E376-K450 PolarHBondContact OE2-NZ 3.3Å; E376-K450 VanDerWaalsContact OE2-NZ 3.13Å
377K89.3Confident78.4Confident119 Ų11964.2 Ų64.252%0.51736%0.359SS..Hα-helixtrans-57.2-45.5175.1-75.6170174.5155.20112.6D373 L375 L379 H380 E381D373-K377 WeakPolarHBondContact O-CG 3.23Å; D373-K377 PolarHBondContact O-N 3.28Å; D373-K377 VanDerWaalsContact OD2-CE 3.31Å; D373-K377 WeakPolarHBondContact OD2-CE 3.27Å; D373-K377 IonicContact OD2-NZ 2.89Å; D373-K377 PolarHBondContact OD2-NZ 2.94Å; L375-K377 VanDerWaalsContact C-N 3.33Å; L375-K377 PolarHBondContact O-N 2.81Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 2.64Å; K377-H380 PolarHBondContact O-N 3.37Å; K377-E381 WeakPolarHBondContact O-CG 3.22Å; K377-E381 PolarHBondContact O-N 3.4Å
378R85.6Confident76.3Confident78 Ų7863.5 Ų63.529%0.29436%0.363SS..Hα-helixtrans-63.2-37.3176.3-71.7179.6-166.2-150.8-2.6113K374 L375 E376 H380 E381 G382 S391K374-R378 WeakPolarHBondContact O-CG 3.44Å; K374-R378 PolarHBondContact O-N 3.19Å; L375-R378 WeakPolarHBondContact O-CB 3.46Å; L375-R378 PolarHBondContact O-N 2.81Å; L375-R378 VanDerWaalsContact O-N 3.11Å; E376-R378 PolarHBondContact O-N 3.27Å; R378-H380 VanDerWaalsContact C-N 3.31Å; R378-E381 PolarHBondContact O-N 2.99Å; R378-G382 PolarHBondContact O-N 3.19Å; R378-G382 VanDerWaalsContact O-N 3.1Å; R378-S391 VanDerWaalsContact CZ-O 3.28Å; R378-S391 PolarHBondContact NH1-O 2.72Å; R378-S391 PolarHBondContact NH2-O 2.85Å
379L86.6Confident73.9Confident8 Ų866.5 Ų66.54%0.04239%0.392CS..Hα-helixtrans-66.8-36.2177.7-63.6177.1000111L375 E376 K377 F438 N439 K440 L442 I443L375-L379 HydrophobicContact CD1-CD1 4.47Å; L375-L379 HydrophobicContact CD1-CD2 4.4Å; L375-L379 HydrophobicContact CD1-CG 4.26Å; L375-L379 HydrophobicContact CG-CD1 4.16Å; L375-L379 HydrophobicContact CG-CG 4.36Å; L375-L379 WeakPolarHBondContact O-CG 3.45Å; L375-L379 PolarHBondContact O-N 3.5Å; E376-L379 PolarHBondContact O-N 2.73Å; E376-L379 VanDerWaalsContact O-N 3.16Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 2.64Å; L379-F438 HydrophobicContact CD2-CB 4Å; L379-N439 WeakPolarHBondContact CD2-O 3.42Å; L379-K440 WeakPolarHBondContact O-CG 3.17Å; L379-L442 HydrophobicContact CD1-CB 3.9Å; L379-L442 HydrophobicContact CD1-CD2 4.28Å; L379-L442 HydrophobicContact CD1-CG 4.34Å; L379-I443 HydrophobicContact CB-CD1 4.04Å; L379-I443 HydrophobicContact CB-CG1 3.63Å; L379-I443 HydrophobicContact CD1-CG1 4.01Å
380H84.8Confident71.5Confident92 Ų9277.5 Ų77.543%0.42643%0.433SS..Hα-helixtrans-65.9-44.4174.2-74.487.7000112.4E376 K377 R378 G382 K440E376-H380 PolarHBondContact O-N 2.89Å; E376-H380 PolarHBondContact O-ND1 3.29Å; E376-H380 IonicContact OE1-CE1 3.6Å; K377-H380 PolarHBondContact O-N 3.37Å; R378-H380 VanDerWaalsContact C-N 3.31Å; H380-G382 VanDerWaalsContact C-N 3.32Å; H380-G382 PolarHBondContact O-N 2.88Å; H380-K440 WeakPolarHBondContact O-CE 3.41Å; H380-K440 PolarHBondContact O-NZ 2.94Å
381E82.4Confident69.4Low141 Ų14177.2 Ų77.266%0.65944%0.439SS*.Hα-helixtrans-68-26.6-179.8-70.2171.4-171.200113.4K377 R378K377-E381 WeakPolarHBondContact O-CG 3.22Å; K377-E381 PolarHBondContact O-N 3.4Å; R378-E381 PolarHBondContact O-N 2.99Å
382G64.5Low67.6Low27 Ų2781 Ų8128%0.27847%0.466SS..  trans68.9172.3-177.700000113.7R378 H380 G384R378-G382 PolarHBondContact O-N 3.19Å; R378-G382 VanDerWaalsContact O-N 3.1Å; H380-G382 VanDerWaalsContact C-N 3.32Å; H380-G382 PolarHBondContact O-N 2.88Å; G382-G384 PolarHBondContact O-N 3.09Å
383H54.8Low66.6Low183 Ų18382.4 Ų82.485%0.84747%0.473SS*.SBendtrans-73.226.8-177.2-80.674.3000114.4F438H383-F438 PolarHBondContact CE1-O 3.21Å
384G46.2Very low66.1Low74 Ų7483.7 Ų83.776%0.76348%0.48SS*.  trans-109.99.2-160.200000118.4G382G382-G384 PolarHBondContact O-N 3.09Å
385G44.3Very low65.8Low39 Ų3981 Ų8140%0.40247%0.469SS..  trans-130.7132.7-174.800000114.8A387 S388G385-A387 PolarHBondContact O-N 2.82Å; G385-S388 WeakPolarHBondContact O-CB 3.33Å; G385-S388 PolarHBondContact O-N 2.87Å; G385-S388 VanDerWaalsContact O-N 3.13Å
386P45.5Very low65.5Low139 Ų13987.8 Ų87.890%0.90350%0.5SS*.THydrogen-bonded Turntrans-65.5-5.9177.625.8-32.4000114.3
387A44.5Very low65.5Low85 Ų8590.4 Ų90.470%0.70252%0.515SS*.THydrogen-bonded Turntrans-86.3-14.617500000114.2G385 A389G385-A387 PolarHBondContact O-N 2.82Å; A387-A389 PolarHBondContact O-N 3.4Å; A387-A389 VanDerWaalsContact O-N 3.12Å
388S47.1Very low65.4Low56 Ų5685.2 Ų85.239%0.39249%0.493SS..G310 helixtrans-69.7-7.3-176.9-159.40000113.9G385 R390G385-S388 WeakPolarHBondContact O-CB 3.33Å; G385-S388 PolarHBondContact O-N 2.87Å; G385-S388 VanDerWaalsContact O-N 3.13Å; S388-R390 PolarHBondContact O-N 2.82Å
389A44.4Very low65.6Low85 Ų8586.2 Ų86.270%0.70250%0.497SS*.G310 helixtrans-83.7-2-174.200000115.8A387A387-A389 PolarHBondContact O-N 3.4Å; A387-A389 VanDerWaalsContact O-N 3.12Å
390R44.8Very low65.8Low241 Ų24188.2 Ų88.291%0.90951%0.511SS*.G310 helixtrans-94.37.4-167.2-77.3-173176164.70.4117.7S388S388-R390 PolarHBondContact O-N 2.82Å
391S46.9Very low66.1Low70 Ų7089.4 Ų89.449%0.4952%0.515SS..  trans-164.6118.3153.9176.50000109.5R378 L393R378-S391 VanDerWaalsContact CZ-O 3.28Å; R378-S391 PolarHBondContact NH1-O 2.72Å; R378-S391 PolarHBondContact NH2-O 2.85Å; S391-L393 PolarHBondContact O-N 2.84Å; S391-L393 VanDerWaalsContact O-N 3.16Å
392P55.9Low66.6Low115 Ų11582.7 Ų82.775%0.74748%0.484SS*.  trans-73.3109.6173.828.2-28.4000108.3N394P392-N394 PolarHBondContact O-N 2.89Å
393L69.9Low67.9Low32 Ų3283.3 Ų83.317%0.16848%0.481CS..  trans-58.6110.1160.9-79166.3000106.4K374 S391 M395 I398K374-L393 HydrophobicContact CB-CD1 3.73Å; K374-L393 HydrophobicContact CB-CD2 4.28Å; K374-L393 HydrophobicContact CD-CD2 4.17Å; S391-L393 PolarHBondContact O-N 2.84Å; S391-L393 VanDerWaalsContact O-N 3.16Å; L393-M395 VanDerWaalsContact C-N 3.31Å; L393-M395 PolarHBondContact O-N 2.84Å; L393-I398 HydrophobicContact CD2-CD1 4.39Å
394N80.4Confident69.6Low71 Ų7181.6 Ų81.638%0.3847%0.471SS..  trans-76.688.5178.7-171.1-6.7000109.2P392 Q396 D397 I398P392-N394 PolarHBondContact O-N 2.89Å; N394-Q396 PolarHBondContact O-N 3.25Å; N394-Q396 WeakPolarHBondContact OD1-CB 3.45Å; N394-Q396 PolarHBondContact OD1-N 2.73Å; N394-D397 HydrophobicContact CB-CB 4.01Å; N394-D397 WeakPolarHBondContact CB-OD2 3.41Å; N394-D397 VanDerWaalsContact CG-OD2 3.31Å; N394-D397 PolarHBondContact ND2-OD1 3.23Å; N394-D397 VanDerWaalsContact ND2-OD1 3.13Å; N394-D397 PolarHBondContact ND2-OD2 2.99Å; N394-D397 WeakPolarHBondContact O-CA 3.43Å; N394-D397 WeakPolarHBondContact O-CB 3.49Å; N394-D397 PolarHBondContact O-N 2.98Å; N394-D397 PolarHBondContact OD1-N 3.14Å; N394-I398 PolarHBondContact O-N 2.72Å
395M83.9Confident71.8Confident20 Ų2078.7 Ų78.710%0.09944%0.437CS..Hα-helixtrans-61.5-23.6-179.9-73.5-58.5-49.800113.3L375 L393 I398 R399 F426 F431 F438L375-M395 HydrophobicContact CD1-SD 4.16Å; L375-M395 HydrophobicContact CD2-CE 4Å; L375-M395 HydrophobicContact CD2-SD 4.09Å; L393-M395 VanDerWaalsContact C-N 3.31Å; L393-M395 PolarHBondContact O-N 2.84Å; M395-I398 HydrophobicContact CE-CG2 4.43Å; M395-I398 HydrophobicContact SD-CD1 3.68Å; M395-R399 VanDerWaalsContact O-CB 3.25Å; M395-R399 WeakPolarHBondContact O-CB 3.39Å; M395-R399 PolarHBondContact O-N 3.07Å; M395-F426 HydrophobicContact CE-CE1 4.2Å; M395-F426 HydrophobicContact CE-CZ 4.21Å; M395-F431 HydrophobicContact CB-CE1 4.29Å; M395-F431 HydrophobicContact CB-CZ 4.24Å; M395-F431 HydrophobicContact CE-CZ 4.34Å; M395-F438 HydrophobicContact CB-CE1 4.44Å; M395-F438 HydrophobicContact CB-CE2 4.32Å; M395-F438 HydrophobicContact CB-CZ 3.72Å; M395-F438 HydrophobicContact CE-CE1 3.83Å; M395-F438 HydrophobicContact CE-CZ 4.02Å; M395-F438 HydrophobicContact CG-CE1 3.82Å; M395-F438 HydrophobicContact CG-CE2 4.24Å; M395-F438 HydrophobicContact CG-CZ 3.55Å; M395-F438 HydrophobicContact SD-CE1 4.2Å; M395-F438 HydrophobicContact SD-CZ 4.42Å
396Q84.9Confident74Confident149 Ų14977.2 Ų77.270%0.69642%0.42SS*.Hα-helixtrans-70.4-38.6172.7-61.8-174.4-3.200111.2N394 R399 S400N394-Q396 PolarHBondContact O-N 3.25Å; N394-Q396 WeakPolarHBondContact OD1-CB 3.45Å; N394-Q396 PolarHBondContact OD1-N 2.73Å; Q396-R399 PolarHBondContact O-N 3.42Å; Q396-S400 PolarHBondContact O-N 3.16Å
397D88Confident76Confident75 Ų7578.6 Ų78.640%0.40141%0.412SS..Hα-helixtrans-66-48.3174.4-69.6-14.4000110.8N394 R399 S400 K401N394-D397 HydrophobicContact CB-CB 4.01Å; N394-D397 WeakPolarHBondContact CB-OD2 3.41Å; N394-D397 VanDerWaalsContact CG-OD2 3.31Å; N394-D397 PolarHBondContact ND2-OD1 3.23Å; N394-D397 VanDerWaalsContact ND2-OD1 3.13Å; N394-D397 PolarHBondContact ND2-OD2 2.99Å; N394-D397 WeakPolarHBondContact O-CA 3.43Å; N394-D397 WeakPolarHBondContact O-CB 3.49Å; N394-D397 PolarHBondContact O-N 2.98Å; N394-D397 PolarHBondContact OD1-N 3.14Å; D397-R399 VanDerWaalsContact C-N 3.26Å; D397-R399 PolarHBondContact O-N 2.85Å; D397-S400 PolarHBondContact O-N 2.84Å; D397-S400 VanDerWaalsContact O-N 3.13Å; D397-S400 PolarHBondContact O-OG 2.75Å; D397-K401 WeakPolarHBondContact O-CB 3.43Å; D397-K401 WeakPolarHBondContact O-CG 3.45Å; D397-K401 PolarHBondContact O-N 2.88Å
398I87.5Confident78Confident10 Ų1078.6 Ų78.65%0.05141%0.407CS..Hα-helixtrans-55.8-45.5176.4-66.2165.7000109.8D371 L393 N394 M395 S400 K401 M402D371-I398 HydrophobicContact CB-CD1 3.98Å; D371-I398 HydrophobicContact CB-CG1 4.45Å; L393-I398 HydrophobicContact CD2-CD1 4.39Å; N394-I398 PolarHBondContact O-N 2.72Å; M395-I398 HydrophobicContact CE-CG2 4.43Å; M395-I398 HydrophobicContact SD-CD1 3.68Å; I398-S400 PolarHBondContact O-N 2.82Å; I398-K401 PolarHBondContact O-N 2.88Å; I398-M402 WeakPolarHBondContact O-CB 3.46Å; I398-M402 PolarHBondContact O-N 2.93Å
399R89.7Confident79.7Confident99 Ų9976.8 Ų76.837%0.37439%0.393SS..Hα-helixtrans-57.3-50.4176177.2-177.2174.2170.2-1.1112.1M395 Q396 D397 K401 M402 D403 W423 K427 F431M395-R399 VanDerWaalsContact O-CB 3.25Å; M395-R399 WeakPolarHBondContact O-CB 3.39Å; M395-R399 PolarHBondContact O-N 3.07Å; Q396-R399 PolarHBondContact O-N 3.42Å; D397-R399 VanDerWaalsContact C-N 3.26Å; D397-R399 PolarHBondContact O-N 2.85Å; R399-K401 VanDerWaalsContact C-N 3.35Å; R399-K401 PolarHBondContact O-N 3.32Å; R399-M402 PolarHBondContact O-N 2.93Å; R399-D403 WeakPolarHBondContact O-CB 3.15Å; R399-D403 PolarHBondContact O-N 2.8Å; R399-W423 HydrophobicContact CB-CH2 4.18Å; R399-W423 HydrophobicContact CB-CZ2 4.13Å; R399-W423 HydrophobicContact CG-CH2 4.35Å; R399-W423 HydrophobicContact CG-CZ2 3.9Å; R399-K427 HydrophobicContact CG-CD 4.31Å; R399-F431 HydrophobicContact CB-CE2 4.23Å; R399-F431 HydrophobicContact CB-CZ 3.97Å; R399-F431 HydrophobicContact CG-CE2 4.28Å; R399-F431 HydrophobicContact CG-CZ 4.41Å
400S90.9Very high80.9Confident50 Ų5079.9 Ų79.935%0.3539%0.392SS..Hα-helixtrans-64.8-38.2-178.677.10000112.8Q396 D397 I398 K404Q396-S400 PolarHBondContact O-N 3.16Å; D397-S400 PolarHBondContact O-N 2.84Å; D397-S400 VanDerWaalsContact O-N 3.13Å; D397-S400 PolarHBondContact O-OG 2.75Å; I398-S400 PolarHBondContact O-N 2.82Å; S400-K404 WeakPolarHBondContact O-CG 3.47Å; S400-K404 PolarHBondContact O-N 2.79Å
401K91.8Very high81.8Confident116 Ų11672.8 Ų72.850%0.50438%0.378SS..Hα-helixtrans-70.9-45178.7-72.7175.8178.7175.10111.1Y368 D397 I398 R399 K404 F405Y368-K401 HydrophobicContact CE1-CB 4.12Å; Y368-K401 WeakPolarHBondContact OH-CB 3.42Å; Y368-K401 PolarHBondContact OH-O 3.34Å; Y368-K401 VanDerWaalsContact OH-O 3.09Å; D397-K401 WeakPolarHBondContact O-CB 3.43Å; D397-K401 WeakPolarHBondContact O-CG 3.45Å; D397-K401 PolarHBondContact O-N 2.88Å; I398-K401 PolarHBondContact O-N 2.88Å; R399-K401 VanDerWaalsContact C-N 3.35Å; R399-K401 PolarHBondContact O-N 3.32Å; K401-K404 WeakPolarHBondContact O-CB 3.36Å; K401-K404 PolarHBondContact O-N 3.01Å; K401-K404 VanDerWaalsContact O-N 3.17Å; K401-F405 WeakPolarHBondContact O-CB 3.41Å; K401-F405 PolarHBondContact O-N 3.43Å
402M91.8Very high82.3Confident0 Ų076.6 Ų76.60%039%0.387CS..Hα-helixtrans-63.5-42.6176.5-174.859.175.200111.8Y368 F372 I398 R399 K404 F405 I406 W423 M449 L453Y368-M402 HydrophobicContact CD1-CE 3.45Å; Y368-M402 VanDerWaalsContact CD1-CE 3.45Å; Y368-M402 HydrophobicContact CD2-CE 3.7Å; Y368-M402 HydrophobicContact CD2-SD 4.39Å; Y368-M402 HydrophobicContact CE1-CB 4.42Å; Y368-M402 HydrophobicContact CE1-CE 3.96Å; Y368-M402 HydrophobicContact CE2-CE 4.2Å; Y368-M402 HydrophobicContact CE2-SD 4.43Å; Y368-M402 HydrophobicContact CG-CE 3.32Å; F372-M402 HydrophobicContact CE2-CE 3.86Å; I398-M402 WeakPolarHBondContact O-CB 3.46Å; I398-M402 PolarHBondContact O-N 2.93Å; R399-M402 PolarHBondContact O-N 2.93Å; M402-K404 VanDerWaalsContact C-N 3.27Å; M402-K404 PolarHBondContact O-N 2.88Å; M402-F405 PolarHBondContact O-N 2.92Å; M402-F405 HydrophobicContact SD-CD1 3.86Å; M402-I406 HydrophobicContact CG-CD1 3.84Å; M402-I406 HydrophobicContact CG-CG1 4.38Å; M402-I406 WeakPolarHBondContact O-CG1 3.45Å; M402-I406 PolarHBondContact O-N 3.02Å; M402-I406 HydrophobicContact SD-CD1 4.01Å; M402-I406 HydrophobicContact SD-CG1 4.06Å; M402-W423 HydrophobicContact CB-CH2 4.04Å; M402-W423 HydrophobicContact CB-CZ2 3.73Å; M402-W423 HydrophobicContact CG-CD2 3.69Å; M402-W423 HydrophobicContact CG-CE3 3.97Å; M402-W423 HydrophobicContact CG-CG 4.22Å; M402-W423 HydrophobicContact CG-CH2 4.14Å; M402-W423 HydrophobicContact CG-CZ2 3.85Å; M402-W423 HydrophobicContact CG-CZ3 4.19Å; M402-M449 HydrophobicContact CE-CE 3.52Å; M402-M449 HydrophobicContact CG-CE 3.95Å; M402-M449 HydrophobicContact SD-CE 3.61Å; M402-L453 HydrophobicContact CE-CD1 4.28Å; M402-L453 HydrophobicContact CE-CD2 4.19Å
403D91.7Very high82.8Confident40 Ų4074.9 Ų74.921%0.21437%0.372CS..Hα-helixtrans-59.4-38.3174.2-80.4-32.3000111.7R399 K407 W423 K427R399-D403 WeakPolarHBondContact O-CB 3.15Å; R399-D403 PolarHBondContact O-N 2.8Å; D403-K407 WeakPolarHBondContact O-CB 3.42Å; D403-K407 WeakPolarHBondContact O-CD 3.47Å; D403-K407 WeakPolarHBondContact O-CG 3.46Å; D403-K407 PolarHBondContact O-N 3.16Å; D403-W423 PolarHBondContact OD1-NE1 3.17Å; D403-K427 IonicContact OD1-NZ 2.71Å; D403-K427 PolarHBondContact OD1-NZ 3.16Å; D403-K427 IonicContact OD2-NZ 2.79Å
404K92.2Very high83Confident148 Ų14880.4 Ų80.464%0.64340%0.401SS*.Hα-helixtrans-70.4-41.8174.4-72.9173.8-177.8179.10112.1S400 K401 M402 K407 S408S400-K404 WeakPolarHBondContact O-CG 3.47Å; S400-K404 PolarHBondContact O-N 2.79Å; K401-K404 WeakPolarHBondContact O-CB 3.36Å; K401-K404 PolarHBondContact O-N 3.01Å; K401-K404 VanDerWaalsContact O-N 3.17Å; M402-K404 VanDerWaalsContact C-N 3.27Å; M402-K404 PolarHBondContact O-N 2.88Å; K404-K407 PolarHBondContact O-N 3.26Å; K404-S408 PolarHBondContact O-N 2.84Å
405F91.1Very high82.9Confident13 Ų1378.9 Ų78.96%0.05739%0.391CS..Hα-helixtrans-62.3-50.2179.6174-108000111.3L361 V365 Y368 K401 M402 K407 S408 L409 L419 L453L361-F405 HydrophobicContact CG-CE2 4.43Å; V365-F405 HydrophobicContact CG2-CZ 3.85Å; Y368-F405 HydrophobicContact CD2-CD1 4.14Å; Y368-F405 HydrophobicContact CD2-CE1 4.36Å; Y368-F405 HydrophobicContact CD2-CG 4.35Å; Y368-F405 HydrophobicContact CE2-CB 3.74Å; Y368-F405 AromaticContact CE2-CD1 3.72Å; Y368-F405 HydrophobicContact CE2-CD1 3.72Å; Y368-F405 AromaticContact CE2-CD2 3.93Å; Y368-F405 HydrophobicContact CE2-CD2 3.93Å; Y368-F405 HydrophobicContact CE2-CE1 4.29Å; Y368-F405 HydrophobicContact CE2-CE2 4.47Å; Y368-F405 AromaticContact CE2-CG 3.51Å; Y368-F405 HydrophobicContact CE2-CG 3.51Å; Y368-F405 WeakPolarHBondContact OH-CB 3.33Å; K401-F405 WeakPolarHBondContact O-CB 3.41Å; K401-F405 PolarHBondContact O-N 3.43Å; M402-F405 PolarHBondContact O-N 2.92Å; M402-F405 HydrophobicContact SD-CD1 3.86Å; F405-K407 VanDerWaalsContact C-N 3.32Å; F405-K407 PolarHBondContact O-N 2.89Å; F405-S408 WeakPolarHBondContact CA-OG 3.45Å; F405-S408 WeakPolarHBondContact O-CA 3.19Å; F405-S408 PolarHBondContact O-N 3.35Å; F405-S408 PolarHBondContact O-OG 3.13Å; F405-L409 HydrophobicContact CD1-CD1 4.35Å; F405-L409 HydrophobicContact CE1-CD1 3.86Å; F405-L409 HydrophobicContact CE1-CG 4.39Å; F405-L409 HydrophobicContact CE2-CD2 4.17Å; F405-L409 HydrophobicContact CZ-CD1 4.14Å; F405-L409 HydrophobicContact CZ-CD2 3.98Å; F405-L409 HydrophobicContact CZ-CG 4.32Å; F405-L409 PolarHBondContact O-N 3.06Å; F405-L409 VanDerWaalsContact O-N 3.16Å; F405-L419 HydrophobicContact CE1-CD2 4.5Å; F405-L453 HydrophobicContact CE1-CD2 4.23Å
406I90.1Very high82.9Confident7 Ų779.3 Ų79.34%0.03639%0.392CS..Hα-helixtrans-58.5-47176.2-67168.7000109.4M402 S408 L409 Y416 L419 Q420 W423M402-I406 HydrophobicContact CG-CD1 3.84Å; M402-I406 HydrophobicContact CG-CG1 4.38Å; M402-I406 WeakPolarHBondContact O-CG1 3.45Å; M402-I406 PolarHBondContact O-N 3.02Å; M402-I406 HydrophobicContact SD-CD1 4.01Å; M402-I406 HydrophobicContact SD-CG1 4.06Å; I406-S408 PolarHBondContact O-N 2.59Å; I406-S408 VanDerWaalsContact O-N 3.09Å; I406-L409 PolarHBondContact O-N 3.31Å; I406-Y416 HydrophobicContact CG2-CE2 3.61Å; I406-Y416 WeakPolarHBondContact O-CE2 3.44Å; I406-Y416 PolarHBondContact O-OH 3.43Å; I406-L419 HydrophobicContact CD1-CG 4.32Å; I406-L419 HydrophobicContact CG1-CD2 4.03Å; I406-L419 HydrophobicContact CG1-CG 4.31Å; I406-Q420 HydrophobicContact CG2-CB 4.27Å; I406-Q420 HydrophobicContact CG2-CG 4.38Å; I406-W423 HydrophobicContact CD1-CB 3.65Å; I406-W423 HydrophobicContact CD1-CD2 4.37Å; I406-W423 HydrophobicContact CD1-CG 3.49Å; I406-W423 VanDerWaalsContact CD1-CG 3.49Å
407K88Confident82.9Confident169 Ų16974.1 Ų74.174%0.73538%0.375SS*.Hα-helixtrans-60.2-23.9175.6-72.9173.9-175.3-176.30114.9D403 K404 F405D403-K407 WeakPolarHBondContact O-CB 3.42Å; D403-K407 WeakPolarHBondContact O-CD 3.47Å; D403-K407 WeakPolarHBondContact O-CG 3.46Å; D403-K407 PolarHBondContact O-N 3.16Å; K404-K407 PolarHBondContact O-N 3.26Å; F405-K407 VanDerWaalsContact C-N 3.32Å; F405-K407 PolarHBondContact O-N 2.89Å
408S86.3Confident82.9Confident85 Ų8575.1 Ų75.159%0.59438%0.377SS*.Hα-helixtrans-86.5-14.8178.569.30000113.9K404 F405 I406K404-S408 PolarHBondContact O-N 2.84Å; F405-S408 WeakPolarHBondContact CA-OG 3.45Å; F405-S408 WeakPolarHBondContact O-CA 3.19Å; F405-S408 PolarHBondContact O-N 3.35Å; F405-S408 PolarHBondContact O-OG 3.13Å; I406-S408 PolarHBondContact O-N 2.59Å; I406-S408 VanDerWaalsContact O-N 3.09Å
409L84.1Confident83.1Confident18 Ų1874.6 Ų74.69%0.09438%0.375CS..SBendtrans-75.2138.9172.3-62.7174.3000108.9L361 F405 I406 Y416 L419 I456L361-L409 HydrophobicContact CD1-CD2 3.52Å; L361-L409 HydrophobicContact CG-CD2 4.47Å; F405-L409 HydrophobicContact CD1-CD1 4.35Å; F405-L409 HydrophobicContact CE1-CD1 3.86Å; F405-L409 HydrophobicContact CE1-CG 4.39Å; F405-L409 HydrophobicContact CE2-CD2 4.17Å; F405-L409 HydrophobicContact CZ-CD1 4.14Å; F405-L409 HydrophobicContact CZ-CD2 3.98Å; F405-L409 HydrophobicContact CZ-CG 4.32Å; F405-L409 PolarHBondContact O-N 3.06Å; F405-L409 VanDerWaalsContact O-N 3.16Å; I406-L409 PolarHBondContact O-N 3.31Å; L409-Y416 HydrophobicContact CB-CD2 3.6Å; L409-Y416 HydrophobicContact CB-CE2 3.73Å; L409-Y416 HydrophobicContact CD1-CD2 4.06Å; L409-Y416 HydrophobicContact CD1-CE2 4.41Å; L409-Y416 HydrophobicContact CG-CD2 4.48Å; L409-L419 HydrophobicContact CD1-CD2 3.92Å; L409-I456 HydrophobicContact CD1-CG2 4.34Å; L409-I456 HydrophobicContact CD2-CG2 4.41Å
410E69Low83.2Confident149 Ų14974.3 Ų74.370%0.69638%0.378SS*.  trans-71133.2179.4-64.2-173.4168.900110.4H412E410-H412 PolarHBondContact O-N 3.44Å; E410-H412 IonicContact OE2-CD2 2.84Å
411P64.1Low83.2Confident93 Ų9376.7 Ų76.760%0.60439%0.386SS*.THydrogen-bonded Turntrans-78.624.9-170.431.4-35.9000114.5D413 Y416P411-D413 PolarHBondContact O-N 2.83Å; P411-Y416 HydrophobicContact CB-CD1 4.12Å; P411-Y416 HydrophobicContact CB-CE1 3.87Å
412H57.4Low83.3Confident150 Ų15071.6 Ų71.669%0.69437%0.365SS*.THydrogen-bonded Turntrans-85.8-3.9-170.2-67.5-57.3000114.6E410E410-H412 PolarHBondContact O-N 3.44Å; E410-H412 IonicContact OE2-CD2 2.84Å
413D65.6Low83.4Confident79 Ų7971.8 Ų71.842%0.42237%0.365SS..SBendtrans-129.4147.7-167.2-73.7-53.7000116.3P411 Q415 Y416 A417 Q459P411-D413 PolarHBondContact O-N 2.83Å; D413-Q415 VanDerWaalsContact C-N 3.28Å; D413-Q415 PolarHBondContact O-N 3.44Å; D413-Y416 WeakPolarHBondContact O-CB 3.14Å; D413-Y416 PolarHBondContact O-N 2.83Å; D413-A417 PolarHBondContact O-N 3.36Å; D413-Q459 PolarHBondContact OD1-NE2 2.93Å; D413-Q459 PolarHBondContact OD2-NE2 3.01Å
414L74.3Confident83.4Confident147 Ų14772.2 Ų72.277%0.7738%0.375SS*.Hα-helixtrans-58.2-36.2176.9-83.1155.2000112.9Y416 A417 Q418L414-Y416 VanDerWaalsContact C-N 3.34Å; L414-A417 PolarHBondContact O-N 3.46Å; L414-Q418 WeakPolarHBondContact O-CG 3.4Å; L414-Q418 PolarHBondContact O-N 3.35Å; L414-Q418 VanDerWaalsContact O-N 3.12Å
415Q79.4Confident83.3Confident39 Ų3969.6 Ų69.618%0.18237%0.365CS..Hα-helixtrans-71.2-31.1180-58-15822.800112.7D413 Q418 L419 G455 I456 Q459D413-Q415 VanDerWaalsContact C-N 3.28Å; D413-Q415 PolarHBondContact O-N 3.44Å; Q415-Q418 PolarHBondContact O-N 3.4Å; Q415-L419 PolarHBondContact O-N 2.92Å; Q415-G455 PolarHBondContact OE1-O 3.03Å; Q415-I456 HydrophobicContact CB-CD1 3.86Å; Q415-Q459 VanDerWaalsContact CB-OE1 3.32Å
416Y83.3Confident83.3Confident29 Ų2969 Ų6911%0.11436%0.362CS..Hα-helixtrans-61.4-47.1173.1171-99.8000111.2I406 L409 P411 D413 L414 Q418 L419 Q420I406-Y416 HydrophobicContact CG2-CE2 3.61Å; I406-Y416 WeakPolarHBondContact O-CE2 3.44Å; I406-Y416 PolarHBondContact O-OH 3.43Å; L409-Y416 HydrophobicContact CB-CD2 3.6Å; L409-Y416 HydrophobicContact CB-CE2 3.73Å; L409-Y416 HydrophobicContact CD1-CD2 4.06Å; L409-Y416 HydrophobicContact CD1-CE2 4.41Å; L409-Y416 HydrophobicContact CG-CD2 4.48Å; P411-Y416 HydrophobicContact CB-CD1 4.12Å; P411-Y416 HydrophobicContact CB-CE1 3.87Å; D413-Y416 WeakPolarHBondContact O-CB 3.14Å; D413-Y416 PolarHBondContact O-N 2.83Å; L414-Y416 VanDerWaalsContact C-N 3.34Å; Y416-Q418 VanDerWaalsContact C-N 3.3Å; Y416-Q418 PolarHBondContact O-N 2.97Å; Y416-L419 PolarHBondContact O-N 2.54Å; Y416-Q420 WeakPolarHBondContact O-CB 3.48Å; Y416-Q420 PolarHBondContact O-N 3.42Å
417A85.6Confident83.3Confident41 Ų4171 Ų7134%0.33937%0.371SS..Hα-helixtrans-61.6-39.6176.600000111.8D413 L414 Q420 N421D413-A417 PolarHBondContact O-N 3.36Å; L414-A417 PolarHBondContact O-N 3.46Å; A417-Q420 PolarHBondContact O-N 3.13Å; A417-N421 WeakPolarHBondContact O-CB 3.2Å; A417-N421 PolarHBondContact O-N 2.86Å; A417-N421 PolarHBondContact O-ND2 2.98Å
418Q88.1Confident83.4Confident95 Ų9566.4 Ų66.444%0.44436%0.36SS..Hα-helixtrans-63.2-46.9175-71175.7-1000112L414 Q415 Y416 Q420 N421 V422L414-Q418 WeakPolarHBondContact O-CG 3.4Å; L414-Q418 PolarHBondContact O-N 3.35Å; L414-Q418 VanDerWaalsContact O-N 3.12Å; Q415-Q418 PolarHBondContact O-N 3.4Å; Y416-Q418 VanDerWaalsContact C-N 3.3Å; Y416-Q418 PolarHBondContact O-N 2.97Å; Q418-Q420 VanDerWaalsContact C-N 3.33Å; Q418-Q420 PolarHBondContact O-N 3.18Å; Q418-N421 PolarHBondContact O-N 3.19Å; Q418-V422 WeakPolarHBondContact O-CG2 3.14Å; Q418-V422 PolarHBondContact O-N 2.97Å
419L91Very high83.4Confident0 Ų068.3 Ų68.30%035%0.354CS..Hα-helixtrans-59.4-43.9175.7-18065.9000111.5F405 I406 L409 Q415 Y416 N421 V422 W423 M449 Q452 L453 I456F405-L419 HydrophobicContact CE1-CD2 4.5Å; I406-L419 HydrophobicContact CD1-CG 4.32Å; I406-L419 HydrophobicContact CG1-CD2 4.03Å; I406-L419 HydrophobicContact CG1-CG 4.31Å; L409-L419 HydrophobicContact CD1-CD2 3.92Å; Q415-L419 PolarHBondContact O-N 2.92Å; Y416-L419 PolarHBondContact O-N 2.54Å; L419-N421 VanDerWaalsContact C-N 3.35Å; L419-N421 PolarHBondContact O-N 3.2Å; L419-V422 PolarHBondContact O-N 3.17Å; L419-W423 VanDerWaalsContact O-CB 3.23Å; L419-W423 WeakPolarHBondContact O-CB 3.31Å; L419-W423 PolarHBondContact O-N 2.95Å; L419-M449 HydrophobicContact CD1-CE 3.52Å; L419-M449 HydrophobicContact CD1-SD 3.66Å; L419-M449 HydrophobicContact CG-CE 4.48Å; L419-Q452 HydrophobicContact CB-CB 4.38Å; L419-Q452 HydrophobicContact CD1-CB 3.7Å; L419-L453 HydrophobicContact CD1-CD2 4.2Å; L419-L453 HydrophobicContact CD1-CG 4.32Å; L419-L453 HydrophobicContact CD2-CD2 4.42Å; L419-I456 HydrophobicContact CB-CG1 4.46Å; L419-I456 HydrophobicContact CD2-CD1 4.42Å; L419-I456 HydrophobicContact CD2-CG1 3.8Å
420Q91Very high83.4Confident93 Ų9367.8 Ų67.844%0.43535%0.352SS..Hα-helixtrans-61.7-42.5178.5-174.5178.22.100111.9I406 Y416 A417 Q418 A424I406-Q420 HydrophobicContact CG2-CB 4.27Å; I406-Q420 HydrophobicContact CG2-CG 4.38Å; Y416-Q420 WeakPolarHBondContact O-CB 3.48Å; Y416-Q420 PolarHBondContact O-N 3.42Å; A417-Q420 PolarHBondContact O-N 3.13Å; Q418-Q420 VanDerWaalsContact C-N 3.33Å; Q418-Q420 PolarHBondContact O-N 3.18Å; Q420-A424 WeakPolarHBondContact O-CB 3.47Å; Q420-A424 PolarHBondContact O-N 2.56Å
421N91.7Very high84.1Confident99 Ų9963.3 Ų63.353%0.52933%0.331SS..Hα-helixtrans-65.8-50.2178-71-21.5000111.5A417 Q418 L419 W423 A424 E425A417-N421 WeakPolarHBondContact O-CB 3.2Å; A417-N421 PolarHBondContact O-N 2.86Å; A417-N421 PolarHBondContact O-ND2 2.98Å; Q418-N421 PolarHBondContact O-N 3.19Å; L419-N421 VanDerWaalsContact C-N 3.35Å; L419-N421 PolarHBondContact O-N 3.2Å; N421-W423 VanDerWaalsContact C-N 3.28Å; N421-W423 PolarHBondContact O-N 3.5Å; N421-A424 WeakPolarHBondContact O-CB 3.45Å; N421-A424 PolarHBondContact O-N 2.97Å; N421-E425 WeakPolarHBondContact O-CG 3.32Å; N421-E425 PolarHBondContact O-N 3.45Å
422V92.8Very high84.8Confident10 Ų1061.3 Ų61.36%0.06132%0.319CS..Hα-helixtrans-60.9-39.6178.8172.70000111.1Q418 L419 E425 F426 N448 M449 Q452Q418-V422 WeakPolarHBondContact O-CG2 3.14Å; Q418-V422 PolarHBondContact O-N 2.97Å; L419-V422 PolarHBondContact O-N 3.17Å; V422-E425 PolarHBondContact O-N 3.04Å; V422-F426 WeakPolarHBondContact O-CB 3.26Å; V422-F426 PolarHBondContact O-N 3.09Å; V422-N448 HydrophobicContact CG1-CB 4.22Å; V422-N448 WeakPolarHBondContact CG2-ND2 3.49Å; V422-M449 HydrophobicContact CG1-CB 4.4Å; V422-M449 HydrophobicContact CG1-SD 4.19Å; V422-Q452 HydrophobicContact CB-CG 4.11Å; V422-Q452 HydrophobicContact CG1-CG 4.27Å; V422-Q452 HydrophobicContact CG2-CG 3.81Å
423W94.2Very high85Confident3 Ų366.9 Ų66.91%0.01133%0.334CS..Hα-helixtrans-65.7-37.8174.7177-124000112.9F372 R399 M402 D403 I406 L419 N421 F426 K427 M449F372-W423 HydrophobicContact CZ-CE3 4.48Å; F372-W423 HydrophobicContact CZ-CZ3 4.02Å; R399-W423 HydrophobicContact CB-CH2 4.18Å; R399-W423 HydrophobicContact CB-CZ2 4.13Å; R399-W423 HydrophobicContact CG-CH2 4.35Å; R399-W423 HydrophobicContact CG-CZ2 3.9Å; M402-W423 HydrophobicContact CB-CH2 4.04Å; M402-W423 HydrophobicContact CB-CZ2 3.73Å; M402-W423 HydrophobicContact CG-CD2 3.69Å; M402-W423 HydrophobicContact CG-CE3 3.97Å; M402-W423 HydrophobicContact CG-CG 4.22Å; M402-W423 HydrophobicContact CG-CH2 4.14Å; M402-W423 HydrophobicContact CG-CZ2 3.85Å; M402-W423 HydrophobicContact CG-CZ3 4.19Å; D403-W423 PolarHBondContact OD1-NE1 3.17Å; I406-W423 HydrophobicContact CD1-CB 3.65Å; I406-W423 HydrophobicContact CD1-CD2 4.37Å; I406-W423 HydrophobicContact CD1-CG 3.49Å; I406-W423 VanDerWaalsContact CD1-CG 3.49Å; L419-W423 VanDerWaalsContact O-CB 3.23Å; L419-W423 WeakPolarHBondContact O-CB 3.31Å; L419-W423 PolarHBondContact O-N 2.95Å; N421-W423 VanDerWaalsContact C-N 3.28Å; N421-W423 PolarHBondContact O-N 3.5Å; W423-F426 HydrophobicContact CE3-CB 4.37Å; W423-F426 AromaticContact CE3-CD1 3.82Å; W423-F426 HydrophobicContact CE3-CD1 3.82Å; W423-F426 HydrophobicContact CE3-CG 4.37Å; W423-F426 HydrophobicContact CH2-CD1 4.26Å; W423-F426 HydrophobicContact CH2-CE1 4.43Å; W423-F426 AromaticContact CZ3-CD1 3.38Å; W423-F426 HydrophobicContact CZ3-CD1 3.38Å; W423-F426 AromaticContact CZ3-CE1 3.76Å; W423-F426 HydrophobicContact CZ3-CE1 3.76Å; W423-F426 HydrophobicContact CZ3-CG 4.31Å; W423-K427 VanDerWaalsContact CD1-CE 3.49Å; W423-K427 HydrophobicContact CD2-CD 4.31Å; W423-K427 HydrophobicContact CD2-CG 4.1Å; W423-K427 HydrophobicContact CE3-CG 4.43Å; W423-K427 HydrophobicContact CH2-CG 4.07Å; W423-K427 HydrophobicContact CZ2-CD 3.72Å; W423-K427 HydrophobicContact CZ2-CG 3.71Å; W423-K427 HydrophobicContact CZ3-CG 4.41Å; W423-K427 VanDerWaalsContact NE1-CE 3.29Å; W423-K427 WeakPolarHBondContact O-CB 3.4Å; W423-K427 WeakPolarHBondContact O-CG 3.18Å; W423-K427 PolarHBondContact O-N 3.27Å; W423-M449 HydrophobicContact CB-CE 4.19Å; W423-M449 HydrophobicContact CB-SD 4.33Å; W423-M449 HydrophobicContact CD2-CE 4.37Å; W423-M449 HydrophobicContact CE3-CE 3.97Å; W423-M449 HydrophobicContact CE3-SD 4.43Å
424A91.8Very high84.5Confident49 Ų4968.1 Ų68.141%0.40536%0.355SS..Hα-helixtrans-64.9-43.5175.400000111.8Q420 N421 K427 S428Q420-A424 WeakPolarHBondContact O-CB 3.47Å; Q420-A424 PolarHBondContact O-N 2.56Å; N421-A424 WeakPolarHBondContact O-CB 3.45Å; N421-A424 PolarHBondContact O-N 2.97Å; A424-K427 PolarHBondContact O-N 2.91Å; A424-S428 PolarHBondContact O-N 2.65Å
425E90.9Very high83.6Confident93 Ų9362.9 Ų62.944%0.43534%0.337SS..Hα-helixtrans-65.3-45176.6-68.6-178.5139.500111.6N421 V422 K427 S428 R429 W445N421-E425 WeakPolarHBondContact O-CG 3.32Å; N421-E425 PolarHBondContact O-N 3.45Å; V422-E425 PolarHBondContact O-N 3.04Å; E425-K427 VanDerWaalsContact C-N 3.32Å; E425-K427 PolarHBondContact O-N 2.8Å; E425-S428 PolarHBondContact O-N 3.47Å; E425-R429 PolarHBondContact O-N 3.19Å; E425-R429 VanDerWaalsContact O-N 3.14Å; E425-W445 HydrophobicContact CB-CE3 3.95Å; E425-W445 HydrophobicContact CB-CH2 3.92Å; E425-W445 HydrophobicContact CB-CZ3 3.41Å; E425-W445 VanDerWaalsContact CB-CZ3 3.41Å; E425-W445 HydrophobicContact CG-CH2 4.38Å; E425-W445 HydrophobicContact CG-CZ3 4.15Å; E425-W445 WeakPolarHBondContact OE2-CH2 3.45Å; E425-W445 WeakPolarHBondContact OE2-CZ3 3.27Å
426F90.9Very high82.6Confident0 Ų064.6 Ų64.60%035%0.353CS..Hα-helixtrans-56.3-47.1172.8178.7-87.4000111F372 L375 M395 V422 W423 S428 R429 A430 F431 L442 W445F372-F426 HydrophobicContact CE1-CD2 4.33Å; F372-F426 HydrophobicContact CE1-CE1 4.23Å; F372-F426 AromaticContact CE1-CE2 3.87Å; F372-F426 HydrophobicContact CE1-CE2 3.87Å; F372-F426 AromaticContact CE1-CZ 3.81Å; F372-F426 HydrophobicContact CE1-CZ 3.81Å; L375-F426 HydrophobicContact CD2-CE2 4.19Å; L375-F426 HydrophobicContact CD2-CZ 3.75Å; M395-F426 HydrophobicContact CE-CE1 4.2Å; M395-F426 HydrophobicContact CE-CZ 4.21Å; V422-F426 WeakPolarHBondContact O-CB 3.26Å; V422-F426 PolarHBondContact O-N 3.09Å; W423-F426 HydrophobicContact CE3-CB 4.37Å; W423-F426 AromaticContact CE3-CD1 3.82Å; W423-F426 HydrophobicContact CE3-CD1 3.82Å; W423-F426 HydrophobicContact CE3-CG 4.37Å; W423-F426 HydrophobicContact CH2-CD1 4.26Å; W423-F426 HydrophobicContact CH2-CE1 4.43Å; W423-F426 AromaticContact CZ3-CD1 3.38Å; W423-F426 HydrophobicContact CZ3-CD1 3.38Å; W423-F426 AromaticContact CZ3-CE1 3.76Å; W423-F426 HydrophobicContact CZ3-CE1 3.76Å; W423-F426 HydrophobicContact CZ3-CG 4.31Å; F426-S428 PolarHBondContact O-N 3.32Å; F426-R429 PolarHBondContact O-N 3.39Å; F426-A430 HydrophobicContact CD1-CB 4.24Å; F426-A430 HydrophobicContact CE1-CB 3.84Å; F426-A430 HydrophobicContact CZ-CB 4.07Å; F426-A430 VanDerWaalsContact O-CB 3.26Å; F426-A430 WeakPolarHBondContact O-CB 3.29Å; F426-A430 PolarHBondContact O-N 3.24Å; F426-F431 HydrophobicContact CE1-CE2 4.39Å; F426-L442 HydrophobicContact CD2-CD1 3.82Å; F426-L442 HydrophobicContact CD2-CD2 4.49Å; F426-L442 HydrophobicContact CD2-CG 4.17Å; F426-L442 HydrophobicContact CE2-CD1 3.77Å; F426-L442 HydrophobicContact CE2-CD2 3.62Å; F426-L442 HydrophobicContact CE2-CG 3.64Å; F426-L442 HydrophobicContact CZ-CD2 3.83Å; F426-L442 HydrophobicContact CZ-CG 4.35Å; F426-W445 HydrophobicContact CD2-CB 3.93Å
427K90.4Very high82.1Confident50 Ų5064.4 Ų64.422%0.21736%0.36CS..Hα-helixtrans-61.4-42.1178.8-81.7-173.9-65.7-171.40112.7R399 D403 W423 A424 E425 R429 F431R399-K427 HydrophobicContact CG-CD 4.31Å; D403-K427 IonicContact OD1-NZ 2.71Å; D403-K427 PolarHBondContact OD1-NZ 3.16Å; D403-K427 IonicContact OD2-NZ 2.79Å; W423-K427 VanDerWaalsContact CD1-CE 3.49Å; W423-K427 HydrophobicContact CD2-CD 4.31Å; W423-K427 HydrophobicContact CD2-CG 4.1Å; W423-K427 HydrophobicContact CE3-CG 4.43Å; W423-K427 HydrophobicContact CH2-CG 4.07Å; W423-K427 HydrophobicContact CZ2-CD 3.72Å; W423-K427 HydrophobicContact CZ2-CG 3.71Å; W423-K427 HydrophobicContact CZ3-CG 4.41Å; W423-K427 VanDerWaalsContact NE1-CE 3.29Å; W423-K427 WeakPolarHBondContact O-CB 3.4Å; W423-K427 WeakPolarHBondContact O-CG 3.18Å; W423-K427 PolarHBondContact O-N 3.27Å; A424-K427 PolarHBondContact O-N 2.91Å; E425-K427 VanDerWaalsContact C-N 3.32Å; E425-K427 PolarHBondContact O-N 2.8Å; K427-R429 VanDerWaalsContact C-N 3.25Å; K427-R429 PolarHBondContact O-N 3.36Å; K427-F431 HydrophobicContact CB-CD2 4.36Å; K427-F431 HydrophobicContact CG-CD2 4.26Å; K427-F431 HydrophobicContact CG-CE2 4.37Å; K427-F431 WeakPolarHBondContact O-CB 3.2Å; K427-F431 PolarHBondContact O-N 2.68Å
428S89.2Confident81.9Confident73 Ų7365.5 Ų65.551%0.5136%0.357SS..Hα-helixtrans-61.7-37.4180116.40000110.9A424 E425 F426 S432A424-S428 PolarHBondContact O-N 2.65Å; E425-S428 PolarHBondContact O-N 3.47Å; F426-S428 PolarHBondContact O-N 3.32Å; S428-S432 WeakPolarHBondContact O-CB 3.14Å; S428-S432 PolarHBondContact O-N 2.96Å; S428-S432 PolarHBondContact O-OG 3.01Å
429R86.6Confident81.7Confident125 Ų12563.1 Ų63.147%0.47235%0.347SS..Hα-helixtrans-82.5-45.8-179.3-64.7-173.4-177.4-141.62.4112.7E425 F426 K427 L442 W445E425-R429 PolarHBondContact O-N 3.19Å; E425-R429 VanDerWaalsContact O-N 3.14Å; F426-R429 PolarHBondContact O-N 3.39Å; K427-R429 VanDerWaalsContact C-N 3.25Å; K427-R429 PolarHBondContact O-N 3.36Å; R429-L442 HydrophobicContact CB-CD1 4.1Å; R429-W445 VanDerWaalsContact CZ-CE2 3.46Å; R429-W445 VanDerWaalsContact NH1-NE1 3.15Å; R429-W445 VanDerWaalsContact NH2-CZ2 3.29Å
430A85.3Confident81.5Confident7 Ų769 Ų696%0.05837%0.373CS..Hα-helixtrans-71.5-31.2-17600000113.8F426 F438 L442F426-A430 HydrophobicContact CD1-CB 4.24Å; F426-A430 HydrophobicContact CE1-CB 3.84Å; F426-A430 HydrophobicContact CZ-CB 4.07Å; F426-A430 VanDerWaalsContact O-CB 3.26Å; F426-A430 WeakPolarHBondContact O-CB 3.29Å; F426-A430 PolarHBondContact O-N 3.24Å; A430-F438 HydrophobicContact CB-CE1 4.09Å; A430-F438 HydrophobicContact CB-CZ 4.22Å; A430-L442 HydrophobicContact CB-CD1 4.2Å; A430-L442 HydrophobicContact CB-CD2 3.87Å
431F83.6Confident81.3Confident55 Ų5569.6 Ų69.624%0.24138%0.379CS..Hα-helixtrans-120.47.8-172.8-56.4-81000114.6M395 R399 F426 K427 F438M395-F431 HydrophobicContact CB-CE1 4.29Å; M395-F431 HydrophobicContact CB-CZ 4.24Å; M395-F431 HydrophobicContact CE-CZ 4.34Å; R399-F431 HydrophobicContact CB-CE2 4.23Å; R399-F431 HydrophobicContact CB-CZ 3.97Å; R399-F431 HydrophobicContact CG-CE2 4.28Å; R399-F431 HydrophobicContact CG-CZ 4.41Å; F426-F431 HydrophobicContact CE1-CE2 4.39Å; K427-F431 HydrophobicContact CB-CD2 4.36Å; K427-F431 HydrophobicContact CG-CD2 4.26Å; K427-F431 HydrophobicContact CG-CE2 4.37Å; K427-F431 WeakPolarHBondContact O-CB 3.2Å; K427-F431 PolarHBondContact O-N 2.68Å; F431-F438 HydrophobicContact CE1-CZ 4.09Å; F431-F438 HydrophobicContact CZ-CZ 4.19Å
432S77.7Confident81.2Confident51 Ų5165 Ų6536%0.35735%0.354SS..  trans-72.2143.6174.752.60000111.8S428 A434 G435S428-S432 WeakPolarHBondContact O-CB 3.14Å; S428-S432 PolarHBondContact O-N 2.96Å; S428-S432 PolarHBondContact O-OG 3.01Å; S432-A434 PolarHBondContact O-N 3.45Å; S432-G435 PolarHBondContact O-N 3.19Å; S432-G435 WeakPolarHBondContact OG-CA 3.39Å; S432-G435 PolarHBondContact OG-N 3.32Å
433R62.8Low81.1Confident267 Ų26765.5 Ų65.5100%1.00836%0.356SS*.THydrogen-bonded Turntrans-68.6-14.7175.9-67.4-175.6177.7-175.5-1114
434A54.5Low81Confident104 Ų10469.1 Ų69.186%0.8638%0.38SS*.THydrogen-bonded Turntrans-1150.5-177.300000113.4S432S432-A434 PolarHBondContact O-N 3.45Å
435G54.7Low80.9Confident38 Ų3868.7 Ų68.739%0.39237%0.368SS..SBendtrans-87.5170.2178.700000113.1S432 G437S432-G435 PolarHBondContact O-N 3.19Å; S432-G435 WeakPolarHBondContact OG-CA 3.39Å; S432-G435 PolarHBondContact OG-N 3.32Å; G435-G437 PolarHBondContact O-N 2.9Å
436S57.8Low80.9Confident75 Ų7564.2 Ų64.252%0.52435%0.348SS..  trans-742.9179.358.40000114.8N439S436-N439 WeakPolarHBondContact CB-ND2 3.35Å; S436-N439 PolarHBondContact OG-ND2 3.38Å; S436-N439 PolarHBondContact OG-OD1 2.9Å
437G72.8Confident81Confident25 Ų2568.5 Ų68.526%0.25837%0.366SS..  trans68.7-150.7179.500000113.4G435 N439G435-G437 PolarHBondContact O-N 2.9Å; G437-N439 PolarHBondContact O-N 2.9Å; G437-N439 VanDerWaalsContact O-N 3.11Å
438F81.9Confident81.1Confident63 Ų6368.6 Ų68.628%0.27637%0.369SS..SBendtrans-8085.6175.8-69.8-77.6000110.5L375 L379 H383 M395 A430 F431 L442L375-F438 HydrophobicContact CD1-CD1 3.9Å; L375-F438 HydrophobicContact CD1-CE1 4.2Å; L375-F438 HydrophobicContact CD2-CE1 4.45Å; L379-F438 HydrophobicContact CD2-CB 4Å; H383-F438 PolarHBondContact CE1-O 3.21Å; M395-F438 HydrophobicContact CB-CE1 4.44Å; M395-F438 HydrophobicContact CB-CE2 4.32Å; M395-F438 HydrophobicContact CB-CZ 3.72Å; M395-F438 HydrophobicContact CE-CE1 3.83Å; M395-F438 HydrophobicContact CE-CZ 4.02Å; M395-F438 HydrophobicContact CG-CE1 3.82Å; M395-F438 HydrophobicContact CG-CE2 4.24Å; M395-F438 HydrophobicContact CG-CZ 3.55Å; M395-F438 HydrophobicContact SD-CE1 4.2Å; M395-F438 HydrophobicContact SD-CZ 4.42Å; A430-F438 HydrophobicContact CB-CE1 4.09Å; A430-F438 HydrophobicContact CB-CZ 4.22Å; F431-F438 HydrophobicContact CE1-CZ 4.09Å; F431-F438 HydrophobicContact CZ-CZ 4.19Å; F438-L442 HydrophobicContact CD1-CD2 3.76Å; F438-L442 HydrophobicContact CE1-CD2 4.07Å
439N83.9Confident81.3Confident45 Ų4565.1 Ų65.124%0.24135%0.345CS..SBendtrans-128.6178.9178.478.1-13000112.1L379 S436 G437 D441 L442L379-N439 WeakPolarHBondContact CD2-O 3.42Å; S436-N439 WeakPolarHBondContact CB-ND2 3.35Å; S436-N439 PolarHBondContact OG-ND2 3.38Å; S436-N439 PolarHBondContact OG-OD1 2.9Å; G437-N439 PolarHBondContact O-N 2.9Å; G437-N439 VanDerWaalsContact O-N 3.11Å; N439-D441 PolarHBondContact ND2-OD2 3.46Å; N439-D441 PolarHBondContact O-N 3.4Å; N439-D441 VanDerWaalsContact O-N 3.13Å; N439-D441 WeakPolarHBondContact OD1-CB 3.48Å; N439-D441 PolarHBondContact OD1-N 3.07Å; N439-D441 VanDerWaalsContact OD1-N 3.17Å; N439-L442 WeakPolarHBondContact O-CB 3.47Å; N439-L442 PolarHBondContact O-N 3.23Å
440K86.9Confident81.6Confident125 Ų12560.9 Ų60.954%0.54333%0.33SS..G310 helixtrans-57.3-27.2-178.8-72.1-174177.5-165.20113.7L379 H380 L442 I443L379-K440 WeakPolarHBondContact O-CG 3.17Å; H380-K440 WeakPolarHBondContact O-CE 3.41Å; H380-K440 PolarHBondContact O-NZ 2.94Å; K440-L442 PolarHBondContact O-N 2.9Å; K440-L442 VanDerWaalsContact O-N 3.12Å; K440-I443 HydrophobicContact CB-CD1 4.02Å; K440-I443 HydrophobicContact CG-CD1 4.08Å; K440-I443 VanDerWaalsContact O-CB 3.32Å; K440-I443 WeakPolarHBondContact O-CB 3.21Å; K440-I443 WeakPolarHBondContact O-CD1 3.24Å; K440-I443 VanDerWaalsContact O-CG1 3.3Å; K440-I443 WeakPolarHBondContact O-CG1 3.23Å; K440-I443 PolarHBondContact O-N 3.48Å
441D87.3Confident82Confident104 Ų10461.9 Ų61.956%0.55634%0.335SS*.G310 helixtrans-66.8-14.8179.5-50.4-34000113.1N439 P444N439-D441 PolarHBondContact ND2-OD2 3.46Å; N439-D441 PolarHBondContact O-N 3.4Å; N439-D441 VanDerWaalsContact O-N 3.13Å; N439-D441 WeakPolarHBondContact OD1-CB 3.48Å; N439-D441 PolarHBondContact OD1-N 3.07Å; N439-D441 VanDerWaalsContact OD1-N 3.17Å; D441-P444 WeakPolarHBondContact O-CD 3.33Å
442L89.2Confident82.5Confident3 Ų360.7 Ų60.72%0.01633%0.33CS..G310 helixtrans-85.5-12.7176.2-164.868.3000112.9L379 F426 R429 A430 F438 N439 K440 W445 C446L379-L442 HydrophobicContact CD1-CB 3.9Å; L379-L442 HydrophobicContact CD1-CD2 4.28Å; L379-L442 HydrophobicContact CD1-CG 4.34Å; F426-L442 HydrophobicContact CD2-CD1 3.82Å; F426-L442 HydrophobicContact CD2-CD2 4.49Å; F426-L442 HydrophobicContact CD2-CG 4.17Å; F426-L442 HydrophobicContact CE2-CD1 3.77Å; F426-L442 HydrophobicContact CE2-CD2 3.62Å; F426-L442 HydrophobicContact CE2-CG 3.64Å; F426-L442 HydrophobicContact CZ-CD2 3.83Å; F426-L442 HydrophobicContact CZ-CG 4.35Å; R429-L442 HydrophobicContact CB-CD1 4.1Å; A430-L442 HydrophobicContact CB-CD1 4.2Å; A430-L442 HydrophobicContact CB-CD2 3.87Å; F438-L442 HydrophobicContact CD1-CD2 3.76Å; F438-L442 HydrophobicContact CE1-CD2 4.07Å; N439-L442 WeakPolarHBondContact O-CB 3.47Å; N439-L442 PolarHBondContact O-N 3.23Å; K440-L442 PolarHBondContact O-N 2.9Å; K440-L442 VanDerWaalsContact O-N 3.12Å; L442-W445 HydrophobicContact CD1-CB 4.1Å; L442-W445 HydrophobicContact CD1-CG 4.41Å; L442-W445 WeakPolarHBondContact O-CB 3.45Å; L442-W445 PolarHBondContact O-N 2.88Å; L442-W445 VanDerWaalsContact O-N 3.1Å; L442-C446 PolarHBondContact O-N 3.45Å; L442-C446 PolarHBondContact O-SG 3.34Å
443I90.8Very high83.3Confident20 Ų2058.2 Ų58.210%0.10331%0.313CS..Hα-helixtrans-56.1-47.7-179.1-67.7164.9000112.3E376 L379 K440 W445 C446 K447E376-I443 HydrophobicContact CG-CG2 4.38Å; L379-I443 HydrophobicContact CB-CD1 4.04Å; L379-I443 HydrophobicContact CB-CG1 3.63Å; L379-I443 HydrophobicContact CD1-CG1 4.01Å; K440-I443 HydrophobicContact CB-CD1 4.02Å; K440-I443 HydrophobicContact CG-CD1 4.08Å; K440-I443 VanDerWaalsContact O-CB 3.32Å; K440-I443 WeakPolarHBondContact O-CB 3.21Å; K440-I443 WeakPolarHBondContact O-CD1 3.24Å; K440-I443 VanDerWaalsContact O-CG1 3.3Å; K440-I443 WeakPolarHBondContact O-CG1 3.23Å; K440-I443 PolarHBondContact O-N 3.48Å; I443-W445 PolarHBondContact O-N 3.43Å; I443-C446 WeakPolarHBondContact O-CB 3.37Å; I443-C446 PolarHBondContact O-N 3.36Å; I443-K447 PolarHBondContact O-N 3.04Å
444P91.8Very high84.8Confident80 Ų8045.5 Ų45.552%0.51927%0.265SS..Hα-helixtrans-59.2-33.7178.5-2434.9000112.9D441 N448D441-P444 WeakPolarHBondContact O-CD 3.33Å; P444-N448 WeakPolarHBondContact O-CB 3.28Å; P444-N448 PolarHBondContact O-N 2.89Å
445W90.8Very high86.6Confident39 Ų3940.7 Ų40.715%0.14823%0.226CC..Hα-helixtrans-73-35.5177.5-62.592.7000112.1E425 F426 R429 L442 I443 M449E425-W445 HydrophobicContact CB-CE3 3.95Å; E425-W445 HydrophobicContact CB-CH2 3.92Å; E425-W445 HydrophobicContact CB-CZ3 3.41Å; E425-W445 VanDerWaalsContact CB-CZ3 3.41Å; E425-W445 HydrophobicContact CG-CH2 4.38Å; E425-W445 HydrophobicContact CG-CZ3 4.15Å; E425-W445 WeakPolarHBondContact OE2-CH2 3.45Å; E425-W445 WeakPolarHBondContact OE2-CZ3 3.27Å; F426-W445 HydrophobicContact CD2-CB 3.93Å; R429-W445 VanDerWaalsContact CZ-CE2 3.46Å; R429-W445 VanDerWaalsContact NH1-NE1 3.15Å; R429-W445 VanDerWaalsContact NH2-CZ2 3.29Å; L442-W445 HydrophobicContact CD1-CB 4.1Å; L442-W445 HydrophobicContact CD1-CG 4.41Å; L442-W445 WeakPolarHBondContact O-CB 3.45Å; L442-W445 PolarHBondContact O-N 2.88Å; L442-W445 VanDerWaalsContact O-N 3.1Å; I443-W445 PolarHBondContact O-N 3.43Å; W445-M449 WeakPolarHBondContact O-CB 3.4Å; W445-M449 PolarHBondContact O-N 3.39Å
446C91Very high88.3Confident0 Ų039.2 Ų39.20%021%0.209CC..Hα-helixtrans-63.1-48.1171.5-60.40000110.8F372 E376 L442 I443 N448 M449 K450F372-C446 HydrophobicContact CD1-CB 4.33Å; E376-C446 HydrophobicContact CB-CB 4.47Å; L442-C446 PolarHBondContact O-N 3.45Å; L442-C446 PolarHBondContact O-SG 3.34Å; I443-C446 WeakPolarHBondContact O-CB 3.37Å; I443-C446 PolarHBondContact O-N 3.36Å; C446-N448 VanDerWaalsContact C-N 3.35Å; C446-N448 PolarHBondContact O-N 2.84Å; C446-M449 PolarHBondContact O-N 3.07Å; C446-K450 PolarHBondContact O-N 3.29Å
447K91.3Very high89.9Confident90 Ų9035.7 Ų35.739%0.39118%0.184SC..Hα-helixtrans-60.1-42.6176.3-69.7-169173.7-163.80112.4E376 I443 K450 T451E376-K447 WeakPolarHBondContact OE1-CE 2.86Å; E376-K447 WeakPolarHBondContact OE1-CG 3.18Å; I443-K447 PolarHBondContact O-N 3.04Å; K447-K450 PolarHBondContact O-N 2.98Å; K447-T451 PolarHBondContact O-N 3.02Å; K447-T451 PolarHBondContact O-OG1 3.23Å
448N92.8Very high90.8Very high52 Ų5237.1 Ų37.128%0.27818%0.182SC..Hα-helixtrans-63.3-43.9175.5-168.613.5000111.2V422 P444 C446 K450 T451 Q452V422-N448 HydrophobicContact CG1-CB 4.22Å; V422-N448 WeakPolarHBondContact CG2-ND2 3.49Å; P444-N448 WeakPolarHBondContact O-CB 3.28Å; P444-N448 PolarHBondContact O-N 2.89Å; C446-N448 VanDerWaalsContact C-N 3.35Å; C446-N448 PolarHBondContact O-N 2.84Å; N448-K450 PolarHBondContact O-N 2.94Å; N448-T451 WeakPolarHBondContact O-CB 3.38Å; N448-T451 PolarHBondContact O-N 3.5Å; N448-T451 VanDerWaalsContact O-N 3.16Å; N448-Q452 WeakPolarHBondContact O-CG 3.4Å; N448-Q452 PolarHBondContact O-N 3.02Å; N448-Q452 PolarHBondContact OD1-NE2 3.48Å
449M93.8Very high91.1Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-61-43.7176.1-16966.3179.800112.3F372 M402 L419 V422 W423 W445 C446 T451 Q452 L453F372-M449 HydrophobicContact CD1-CB 4.36Å; F372-M449 HydrophobicContact CD1-CG 4.35Å; F372-M449 HydrophobicContact CD2-CG 4.01Å; F372-M449 HydrophobicContact CE1-CB 4.15Å; F372-M449 HydrophobicContact CE1-CG 3.89Å; F372-M449 HydrophobicContact CE2-CE 4.23Å; F372-M449 HydrophobicContact CE2-CG 3.55Å; F372-M449 HydrophobicContact CG-CG 4.42Å; F372-M449 HydrophobicContact CZ-CB 4.26Å; F372-M449 HydrophobicContact CZ-CE 4.37Å; F372-M449 HydrophobicContact CZ-CG 3.49Å; F372-M449 VanDerWaalsContact CZ-CG 3.49Å; M402-M449 HydrophobicContact CE-CE 3.52Å; M402-M449 HydrophobicContact CG-CE 3.95Å; M402-M449 HydrophobicContact SD-CE 3.61Å; L419-M449 HydrophobicContact CD1-CE 3.52Å; L419-M449 HydrophobicContact CD1-SD 3.66Å; L419-M449 HydrophobicContact CG-CE 4.48Å; V422-M449 HydrophobicContact CG1-CB 4.4Å; V422-M449 HydrophobicContact CG1-SD 4.19Å; W423-M449 HydrophobicContact CB-CE 4.19Å; W423-M449 HydrophobicContact CB-SD 4.33Å; W423-M449 HydrophobicContact CD2-CE 4.37Å; W423-M449 HydrophobicContact CE3-CE 3.97Å; W423-M449 HydrophobicContact CE3-SD 4.43Å; W445-M449 WeakPolarHBondContact O-CB 3.4Å; W445-M449 PolarHBondContact O-N 3.39Å; C446-M449 PolarHBondContact O-N 3.07Å; M449-T451 VanDerWaalsContact C-N 3.3Å; M449-T451 PolarHBondContact O-N 2.86Å; M449-Q452 PolarHBondContact O-N 2.87Å; M449-L453 HydrophobicContact CE-CD1 4.49Å; M449-L453 HydrophobicContact CE-CD2 4.5Å; M449-L453 HydrophobicContact CE-CG 4.41Å; M449-L453 HydrophobicContact CG-CD1 4.28Å; M449-L453 WeakPolarHBondContact O-CB 3.43Å; M449-L453 WeakPolarHBondContact O-CG 3.18Å; M449-L453 PolarHBondContact O-N 3.32Å
450K94Very high91.1Very high36 Ų3636.8 Ų36.816%0.15719%0.185CC..Hα-helixtrans-57.6-44.4173.4-73.517365.4177.70111.1L369 F372 D373 E376 C446 K447 N448 L453 C454L369-K450 HydrophobicContact CD2-CB 3.91Å; L369-K450 HydrophobicContact CD2-CG 4.01Å; L369-K450 WeakPolarHBondContact CD2-O 3.39Å; F372-K450 HydrophobicContact CB-CD 4.2Å; F372-K450 HydrophobicContact CB-CG 3.81Å; D373-K450 IonicContact OD1-NZ 3.71Å; D373-K450 PolarHBondContact OD1-NZ 3.05Å; E376-K450 IonicContact OE2-NZ 3.89Å; E376-K450 PolarHBondContact OE2-NZ 3.3Å; E376-K450 VanDerWaalsContact OE2-NZ 3.13Å; C446-K450 PolarHBondContact O-N 3.29Å; K447-K450 PolarHBondContact O-N 2.98Å; N448-K450 PolarHBondContact O-N 2.94Å; K450-L453 PolarHBondContact O-N 3.4Å; K450-C454 PolarHBondContact O-N 3.32Å; K450-C454 PolarHBondContact O-SG 2.68Å
451T93.7Very high91.1Very high28 Ų2831.3 Ų31.317%0.17216%0.162CC..Hα-helixtrans-62-44.8177-59.30000111.9S121 L124 K447 N448 M449 C454 G455S121-T451 PolarHBondContact OG-OG1 3.32Å; L124-T451 HydrophobicContact CD1-CG2 4.41Å; L124-T451 WeakPolarHBondContact CD1-O 3.41Å; L124-T451 HydrophobicContact CG-CG2 4.25Å; K447-T451 PolarHBondContact O-N 3.02Å; K447-T451 PolarHBondContact O-OG1 3.23Å; N448-T451 WeakPolarHBondContact O-CB 3.38Å; N448-T451 PolarHBondContact O-N 3.5Å; N448-T451 VanDerWaalsContact O-N 3.16Å; M449-T451 VanDerWaalsContact C-N 3.3Å; M449-T451 PolarHBondContact O-N 2.86Å; T451-C454 PolarHBondContact O-N 3.01Å; T451-G455 PolarHBondContact O-N 2.87Å
452Q93.9Very high91Very high29 Ų2927.9 Ų27.914%0.13614%0.143CC..Hα-helixtrans-66.2-39.1178-63.1-51-44.600112.5L419 V422 N448 M449 G455 I456L419-Q452 HydrophobicContact CB-CB 4.38Å; L419-Q452 HydrophobicContact CD1-CB 3.7Å; V422-Q452 HydrophobicContact CB-CG 4.11Å; V422-Q452 HydrophobicContact CG1-CG 4.27Å; V422-Q452 HydrophobicContact CG2-CG 3.81Å; N448-Q452 WeakPolarHBondContact O-CG 3.4Å; N448-Q452 PolarHBondContact O-N 3.02Å; N448-Q452 PolarHBondContact OD1-NE2 3.48Å; M449-Q452 PolarHBondContact O-N 2.87Å; Q452-G455 WeakPolarHBondContact O-CA 2.97Å; Q452-G455 PolarHBondContact O-N 3.23Å; Q452-G455 VanDerWaalsContact O-N 3.12Å; Q452-I456 PolarHBondContact O-N 3.13Å
453L94.4Very high90.2Very high0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-62.8-43.3175-75.6171.1000111.8V365 L369 F372 M402 F405 L419 M449 K450 G455 I456 Y457V365-L453 HydrophobicContact CG1-CB 4.19Å; L369-L453 HydrophobicContact CD2-CB 3.78Å; L369-L453 HydrophobicContact CD2-CD1 4.1Å; L369-L453 HydrophobicContact CG-CB 4.27Å; L369-L453 HydrophobicContact CG-CD1 4.43Å; F372-L453 HydrophobicContact CD2-CD1 4.04Å; F372-L453 HydrophobicContact CE2-CD1 4.32Å; M402-L453 HydrophobicContact CE-CD1 4.28Å; M402-L453 HydrophobicContact CE-CD2 4.19Å; F405-L453 HydrophobicContact CE1-CD2 4.23Å; L419-L453 HydrophobicContact CD1-CD2 4.2Å; L419-L453 HydrophobicContact CD1-CG 4.32Å; L419-L453 HydrophobicContact CD2-CD2 4.42Å; M449-L453 HydrophobicContact CE-CD1 4.49Å; M449-L453 HydrophobicContact CE-CD2 4.5Å; M449-L453 HydrophobicContact CE-CG 4.41Å; M449-L453 HydrophobicContact CG-CD1 4.28Å; M449-L453 WeakPolarHBondContact O-CB 3.43Å; M449-L453 WeakPolarHBondContact O-CG 3.18Å; M449-L453 PolarHBondContact O-N 3.32Å; K450-L453 PolarHBondContact O-N 3.4Å; L453-G455 PolarHBondContact O-N 2.75Å; L453-I456 PolarHBondContact O-N 3.45Å; L453-Y457 PolarHBondContact O-N 2.96Å; L453-Y457 VanDerWaalsContact O-N 3.1Å
454C94Very high88.7Confident0 Ų036.7 Ų36.70%019%0.192CC..Hα-helixtrans-62.6-34.3171.9-64.80000111.5M117 L124 K450 T451 Y457 R458M117-C454 PolarHBondContact O-SG 2.87Å; M117-C454 VanDerWaalsContact O-SG 3.42Å; L124-C454 HydrophobicContact CD1-CB 3.57Å; K450-C454 PolarHBondContact O-N 3.32Å; K450-C454 PolarHBondContact O-SG 2.68Å; T451-C454 PolarHBondContact O-N 3.01Å; C454-Y457 PolarHBondContact O-N 2.86Å; C454-R458 WeakPolarHBondContact O-CB 3.45Å; C454-R458 PolarHBondContact O-N 2.79Å
455G92.1Very high86.2Confident3 Ų336.8 Ų36.83%0.03120%0.195CC..Hα-helixtrans-59.3-53.4172.100000112.4Q415 T451 Q452 L453 Y457 R458 Q459Q415-G455 PolarHBondContact OE1-O 3.03Å; T451-G455 PolarHBondContact O-N 2.87Å; Q452-G455 WeakPolarHBondContact O-CA 2.97Å; Q452-G455 PolarHBondContact O-N 3.23Å; Q452-G455 VanDerWaalsContact O-N 3.12Å; L453-G455 PolarHBondContact O-N 2.75Å; G455-Y457 VanDerWaalsContact C-N 3.25Å; G455-Y457 PolarHBondContact O-N 2.96Å; G455-R458 WeakPolarHBondContact O-CA 3.5Å; G455-R458 VanDerWaalsContact O-CB 3.27Å; G455-R458 WeakPolarHBondContact O-CB 3.49Å; G455-R458 PolarHBondContact O-N 3.11Å; G455-Q459 PolarHBondContact O-N 3.13Å
456I90.7Very high83.7Confident7 Ų743.5 Ų43.54%0.03623%0.233CC..Hα-helixtrans-55.5-45.5177.1-65.2-55.9000110.6L361 L409 Q415 L419 Q452 L453 R458 Q459 C460L361-I456 HydrophobicContact CD2-CG2 4.47Å; L409-I456 HydrophobicContact CD1-CG2 4.34Å; L409-I456 HydrophobicContact CD2-CG2 4.41Å; Q415-I456 HydrophobicContact CB-CD1 3.86Å; L419-I456 HydrophobicContact CB-CG1 4.46Å; L419-I456 HydrophobicContact CD2-CD1 4.42Å; L419-I456 HydrophobicContact CD2-CG1 3.8Å; Q452-I456 PolarHBondContact O-N 3.13Å; L453-I456 PolarHBondContact O-N 3.45Å; I456-R458 PolarHBondContact O-N 2.86Å; I456-Q459 PolarHBondContact O-N 3.01Å; I456-C460 PolarHBondContact O-N 2.97Å; I456-C460 PolarHBondContact O-SG 3.26Å
457Y91.8Very high81Confident0 Ų048.1 Ų48.10%027%0.265CS..Hα-helixtrans-59-47.3175.6176.1-88.3000112.5M117 V118 F322 M334 A362 L453 C454 G455 Q459 C460 F461M117-Y457 HydrophobicContact CB-CD1 3.84Å; M117-Y457 HydrophobicContact CB-CD2 4.37Å; M117-Y457 HydrophobicContact CB-CE1 3.82Å; M117-Y457 HydrophobicContact CB-CE2 4.34Å; M117-Y457 HydrophobicContact CB-CG 4.08Å; M117-Y457 HydrophobicContact CE-CD2 3.46Å; M117-Y457 VanDerWaalsContact CE-CD2 3.46Å; M117-Y457 HydrophobicContact CE-CE2 3.17Å; M117-Y457 HydrophobicContact CE-CG 4.43Å; M117-Y457 HydrophobicContact CG-CD2 4.31Å; M117-Y457 HydrophobicContact CG-CE1 4.24Å; M117-Y457 HydrophobicContact CG-CE2 4Å; M117-Y457 VanDerWaalsContact N-CE1 3.31Å; M117-Y457 PolarHBondContact N-OH 3.18Å; M117-Y457 HydrophobicContact SD-CD2 4.07Å; M117-Y457 HydrophobicContact SD-CE2 4.11Å; V118-Y457 HydrophobicContact CG2-CD1 4.11Å; V118-Y457 HydrophobicContact CG2-CE1 4.45Å; F322-Y457 HydrophobicContact CD1-CE1 4.29Å; F322-Y457 AromaticContact CD1-CZ 3.77Å; F322-Y457 WeakPolarHBondContact CD1-OH 3.27Å; F322-Y457 AromaticContact CE1-CE1 3.78Å; F322-Y457 HydrophobicContact CE1-CE1 3.78Å; F322-Y457 AromaticContact CE1-CZ 3.54Å; F322-Y457 WeakPolarHBondContact CE1-OH 3.21Å; F322-Y457 HydrophobicContact CZ-CE1 4.31Å; M334-Y457 PolarHBondContact O-OH 2.71Å; A362-Y457 HydrophobicContact CB-CD2 4.26Å; A362-Y457 HydrophobicContact CB-CE2 3.96Å; L453-Y457 PolarHBondContact O-N 2.96Å; L453-Y457 VanDerWaalsContact O-N 3.1Å; C454-Y457 PolarHBondContact O-N 2.86Å; G455-Y457 VanDerWaalsContact C-N 3.25Å; G455-Y457 PolarHBondContact O-N 2.96Å; Y457-Q459 VanDerWaalsContact C-N 3.27Å; Y457-Q459 PolarHBondContact O-N 3.41Å; Y457-C460 PolarHBondContact O-N 3.14Å; Y457-F461 HydrophobicContact CD1-CD2 4.48Å; Y457-F461 AromaticContact CD2-CD2 3.35Å; Y457-F461 HydrophobicContact CD2-CD2 3.35Å; Y457-F461 AromaticContact CD2-CE2 3.67Å; Y457-F461 HydrophobicContact CD2-CE2 3.67Å; Y457-F461 HydrophobicContact CD2-CG 4.46Å; Y457-F461 AromaticContact CE2-CD2 3.58Å; Y457-F461 HydrophobicContact CE2-CD2 3.58Å; Y457-F461 HydrophobicContact CE2-CE2 4.03Å; Y457-F461 HydrophobicContact CE2-CG 4.35Å; Y457-F461 AromaticContact CG-CD2 3.89Å; Y457-F461 HydrophobicContact CG-CD2 3.89Å; Y457-F461 HydrophobicContact CG-CE2 4.47Å; Y457-F461 VanDerWaalsContact O-CD2 3.25Å; Y457-F461 WeakPolarHBondContact O-CD2 3.38Å; Y457-F461 PolarHBondContact O-N 3.48Å
458R90.7Very high78.2Confident56 Ų5648.4 Ų48.421%0.21128%0.284CS..Hα-helixtrans-55.5-44.1176.2-176-169.1173.7-75.1-7.7111.5V118 E128 C454 G455 I456 L462 T463V118-R458 HydrophobicContact CG2-CB 3.67Å; V118-R458 HydrophobicContact CG2-CG 3.98Å; E128-R458 IonicContact OE1-CZ 2.92Å; E128-R458 IonicContact OE1-NE 3.91Å; E128-R458 PolarHBondContact OE1-NE 3.29Å; E128-R458 IonicContact OE1-NH2 2.67Å; E128-R458 PolarHBondContact OE1-NH2 3.49Å; E128-R458 IonicContact OE2-NE 2.88Å; E128-R458 IonicContact OE2-NH2 2.71Å; C454-R458 WeakPolarHBondContact O-CB 3.45Å; C454-R458 PolarHBondContact O-N 2.79Å; G455-R458 WeakPolarHBondContact O-CA 3.5Å; G455-R458 VanDerWaalsContact O-CB 3.27Å; G455-R458 WeakPolarHBondContact O-CB 3.49Å; G455-R458 PolarHBondContact O-N 3.11Å; I456-R458 PolarHBondContact O-N 2.86Å; R458-L462 HydrophobicContact CG-CB 4.14Å; R458-L462 HydrophobicContact CG-CD2 4.03Å; R458-L462 CarbonylContact O-C 3.54Å; R458-L462 WeakPolarHBondContact O-CA 3.43Å; R458-L462 WeakPolarHBondContact O-CB 3.16Å; R458-L462 PolarHBondContact O-N 3.27Å; R458-T463 PolarHBondContact NH1-OG1 2.84Å; R458-T463 PolarHBondContact O-N 2.83Å; R458-T463 PolarHBondContact O-OG1 3.3Å
459Q87.4Confident75.5Confident42 Ų4251.6 Ų51.620%0.19630%0.301CS..Hα-helixtrans-66.2-42.7179.7176.1160.419.500112.1D413 Q415 G455 I456 Y457D413-Q459 PolarHBondContact OD1-NE2 2.93Å; D413-Q459 PolarHBondContact OD2-NE2 3.01Å; Q415-Q459 VanDerWaalsContact CB-OE1 3.32Å; G455-Q459 PolarHBondContact O-N 3.13Å; I456-Q459 PolarHBondContact O-N 3.01Å; Y457-Q459 VanDerWaalsContact C-N 3.27Å; Y457-Q459 PolarHBondContact O-N 3.41Å
460C85.6Confident73.2Confident59 Ų5957.6 Ų57.640%0.39934%0.337SS..Hα-helixtrans-74.7-28.4-177.6-65.50000113.9L361 I456 Y457L361-C460 HydrophobicContact CD2-CB 4.2Å; I456-C460 PolarHBondContact O-N 2.97Å; I456-C460 PolarHBondContact O-SG 3.26Å; Y457-C460 PolarHBondContact O-N 3.14Å
461F86.8Confident71.2Confident10 Ų1058.3 Ų58.34%0.04435%0.345CS..Hα-helixtrans-129.5-21.6-166.7-55.4-69.5000115.8R320 F322 P336 I356 S358 L361 A362 Y457R320-F461 WeakPolarHBondContact CD-O 3.43Å; R320-F461 WeakPolarHBondContact CG-O 3.21Å; F322-F461 HydrophobicContact CE1-CB 3.94Å; F322-F461 HydrophobicContact CZ-CB 4.29Å; P336-F461 HydrophobicContact CB-CB 4.1Å; P336-F461 HydrophobicContact CB-CD1 3.79Å; P336-F461 HydrophobicContact CB-CE1 4.4Å; P336-F461 HydrophobicContact CB-CG 3.98Å; P336-F461 HydrophobicContact CG-CD1 3.5Å; P336-F461 VanDerWaalsContact CG-CD1 3.5Å; P336-F461 HydrophobicContact CG-CD2 4.36Å; P336-F461 HydrophobicContact CG-CE1 3.6Å; P336-F461 HydrophobicContact CG-CE2 4.49Å; P336-F461 HydrophobicContact CG-CG 3.9Å; P336-F461 HydrophobicContact CG-CZ 4.14Å; I356-F461 HydrophobicContact CD1-CD1 3.95Å; I356-F461 HydrophobicContact CD1-CE1 4.47Å; I356-F461 HydrophobicContact CG2-CE1 4.45Å; S358-F461 WeakPolarHBondContact O-CZ 3.21Å; S358-F461 WeakPolarHBondContact OG-CE1 3.49Å; L361-F461 HydrophobicContact CB-CZ 4.42Å; L361-F461 HydrophobicContact CD2-CE2 3.59Å; L361-F461 HydrophobicContact CD2-CZ 3.88Å; A362-F461 HydrophobicContact CB-CE2 3.76Å; A362-F461 HydrophobicContact CB-CZ 3.81Å; Y457-F461 HydrophobicContact CD1-CD2 4.48Å; Y457-F461 AromaticContact CD2-CD2 3.35Å; Y457-F461 HydrophobicContact CD2-CD2 3.35Å; Y457-F461 AromaticContact CD2-CE2 3.67Å; Y457-F461 HydrophobicContact CD2-CE2 3.67Å; Y457-F461 HydrophobicContact CD2-CG 4.46Å; Y457-F461 AromaticContact CE2-CD2 3.58Å; Y457-F461 HydrophobicContact CE2-CD2 3.58Å; Y457-F461 HydrophobicContact CE2-CE2 4.03Å; Y457-F461 HydrophobicContact CE2-CG 4.35Å; Y457-F461 AromaticContact CG-CD2 3.89Å; Y457-F461 HydrophobicContact CG-CD2 3.89Å; Y457-F461 HydrophobicContact CG-CE2 4.47Å; Y457-F461 VanDerWaalsContact O-CD2 3.25Å; Y457-F461 WeakPolarHBondContact O-CD2 3.38Å; Y457-F461 PolarHBondContact O-N 3.48Å
462L84.3Confident69.8Low32 Ų3262.1 Ų62.117%0.16836%0.361CS..THydrogen-bonded Turntrans-110.1-38.5-175.7-169.773.2000112.9M114 F115 V118 E128 F322 R458 D464M114-L462 WeakPolarHBondContact O-CD1 3.33Å; F115-L462 HydrophobicContact CD1-CD1 4.23Å; F115-L462 HydrophobicContact CD1-CD2 3.96Å; V118-L462 HydrophobicContact CG2-CD2 4.04Å; E128-L462 HydrophobicContact CG-CD2 3.88Å; E128-L462 WeakPolarHBondContact OE2-CD2 3.46Å; F322-L462 HydrophobicContact CE2-CD1 3.72Å; F322-L462 HydrophobicContact CZ-CB 4.43Å; F322-L462 HydrophobicContact CZ-CD1 3.95Å; R458-L462 HydrophobicContact CG-CB 4.14Å; R458-L462 HydrophobicContact CG-CD2 4.03Å; R458-L462 CarbonylContact O-C 3.54Å; R458-L462 WeakPolarHBondContact O-CA 3.43Å; R458-L462 WeakPolarHBondContact O-CB 3.16Å; R458-L462 PolarHBondContact O-N 3.27Å; L462-D464 PolarHBondContact O-N 3.32Å
463T73.4Confident69.1Low52 Ų5266.9 Ų66.932%0.31938%0.377SS..SBendtrans-77.5115.6177.5-47.30000107.5R458 S465R458-T463 PolarHBondContact NH1-OG1 2.84Å; R458-T463 PolarHBondContact O-N 2.83Å; R458-T463 PolarHBondContact O-OG1 3.3Å; T463-S465 PolarHBondContact O-N 2.67Å
464D58.8Low68.6Low155 Ų15566.9 Ų66.983%0.82938%0.378SS*.  trans-58.995.5161.7-76.1-30.9000106.3L462 L466L462-D464 PolarHBondContact O-N 3.32Å; D464-L466 PolarHBondContact O-N 3.05Å
465S39.1Very low68.3Low82 Ų8268.5 Ų68.557%0.57339%0.389SS*.  trans-62.2105.6-175.151.20000108.3T463 S467T463-S465 PolarHBondContact O-N 2.67Å; S465-S467 PolarHBondContact O-N 3.29Å
466L37.3Very low68Low181 Ų18170.7 Ų70.795%0.94841%0.406SS*.SBendtrans-60.929.8174.4-95.5148.5000114.4D464D464-L466 PolarHBondContact O-N 3.05Å
467S35Very low67.9Low96 Ų9671.8 Ų71.867%0.67142%0.419SS*.SBendtrans-162.7117.6165.766.30000111S465S465-S467 PolarHBondContact O-N 3.29Å
468A32.6Very low67.8Low97 Ų9771.9 Ų71.980%0.80242%0.42SS*.SBendtrans63.870.7163.100000116.4
469D36.2Very low67.8Low118 Ų11869.6 Ų69.663%0.63141%0.412SS*.  -179.3134.6104.5-125.6-7.6000113.2T471D469-T471 HydrophobicContact CB-CG2 4.2Å; D469-T471 WeakPolarHBondContact CB-OG1 3.33Å; D469-T471 VanDerWaalsContact CG-CG2 3.42Å; D469-T471 PolarHBondContact O-N 3.31Å; D469-T471 WeakPolarHBondContact OD1-CG2 3.32Å; D469-T471 WeakPolarHBondContact OD2-CG2 3.22Å; D469-T471 PolarHBondContact OD2-OG1 3.25Å
470V46Very low68Low126 Ų12673.5 Ų73.576%0.76443%0.43SS*.SBendtrans-80.320.5173.31680000110.9
471T51.3Low68.3Low52 Ų5275.9 Ų75.932%0.31943%0.43SS..  trans-114.89.5-153.358.30000117.1A197 D469A197-T471 WeakPolarHBondContact CB-O 3.47Å; A197-T471 VanDerWaalsContact O-O 3.12Å; D469-T471 HydrophobicContact CB-CG2 4.2Å; D469-T471 WeakPolarHBondContact CB-OG1 3.33Å; D469-T471 VanDerWaalsContact CG-CG2 3.42Å; D469-T471 PolarHBondContact O-N 3.31Å; D469-T471 WeakPolarHBondContact OD1-CG2 3.32Å; D469-T471 WeakPolarHBondContact OD2-CG2 3.22Å; D469-T471 PolarHBondContact OD2-OG1 3.25Å
472H64.5Low68.6Low108 Ų10875.4 Ų75.450%0.543%0.429SS..SBendtrans-130.744.3179.9-62.5-51.8000115A197 E199A197-H472 WeakPolarHBondContact O-CA 3.46Å; A197-H472 PolarHBondContact O-ND1 3.23Å; E199-H472 WeakPolarHBondContact CG-O 3.29Å
473R78.8Confident69.1Low128 Ų12875.9 Ų75.948%0.48343%0.43SS..SBendtrans-131.2154.5168.366.2-175.1-176.1-165.94.9110.4A197 P318 Y340 S475A197-R473 WeakPolarHBondContact CB-O 3.39Å; P318-R473 HydrophobicContact CG-CB 4.31Å; Y340-R473 WeakPolarHBondContact OH-CA 2.99Å; R473-S475 PolarHBondContact O-N 2.96Å
474L84.3Confident70.1Confident1 Ų176 Ų761%0.00544%0.436CS..  trans-56.6128.2168.9-60.6179.9000108.8R196 E199 V201 Y340 T354 L478 Q479R196-L474 HydrophobicContact CB-CD2 3.93Å; E199-L474 HydrophobicContact CB-CD2 4.2Å; V201-L474 HydrophobicContact CG2-CD1 4.31Å; Y340-L474 HydrophobicContact CD1-CD1 4.5Å; Y340-L474 HydrophobicContact CD2-CD1 3.92Å; Y340-L474 HydrophobicContact CE1-CB 3.94Å; Y340-L474 HydrophobicContact CE1-CD1 4.29Å; Y340-L474 HydrophobicContact CE1-CG 4.24Å; Y340-L474 HydrophobicContact CE2-CB 4.47Å; Y340-L474 HydrophobicContact CE2-CD1 3.69Å; Y340-L474 HydrophobicContact CE2-CG 3.87Å; Y340-L474 HydrophobicContact CG-CD1 4.33Å; Y340-L474 PolarHBondContact OH-N 3.28Å; T354-L474 HydrophobicContact CG2-CD1 3.92Å; T354-L474 HydrophobicContact CG2-CG 4.27Å; L474-L478 HydrophobicContact CB-CD2 4.44Å; L474-L478 HydrophobicContact CD2-CD2 3.92Å; L474-Q479 HydrophobicContact CB-CG 4.12Å; L474-Q479 PolarHBondContact O-NE2 3.2Å
475S86.8Confident71.8Confident34 Ų3470.5 Ų70.524%0.23841%0.406CS..  trans-55.7146.8178.580.60000110.8E195 R473 G477 L478 Q479E195-S475 PolarHBondContact O-N 2.8Å; E195-S475 PolarHBondContact OE2-OG 2.99Å; R473-S475 PolarHBondContact O-N 2.96Å; S475-G477 PolarHBondContact O-N 2.98Å; S475-L478 WeakPolarHBondContact O-CB 3.46Å; S475-L478 PolarHBondContact O-N 3.23Å; S475-L478 WeakPolarHBondContact OG-CB 3.21Å; S475-L478 PolarHBondContact OG-N 3.29Å; S475-Q479 WeakPolarHBondContact O-CG 3.28Å; S475-Q479 PolarHBondContact O-N 3.03Å
476A86.8Confident74.4Confident48 Ų4866.8 Ų66.840%0.39738%0.38SS..Hα-helixtrans-56-40.7176.800000111.4L478 Q479 E480A476-L478 VanDerWaalsContact C-N 3.29Å; A476-L478 PolarHBondContact O-N 3.05Å; A476-Q479 WeakPolarHBondContact O-CB 3.46Å; A476-Q479 PolarHBondContact O-N 3.27Å; A476-Q479 VanDerWaalsContact O-N 3.13Å; A476-E480 WeakPolarHBondContact O-CG 3.2Å; A476-E480 PolarHBondContact O-N 3.31Å
477G88.1Confident77.2Confident30 Ų3062.6 Ų62.631%0.30935%0.351SS..Hα-helixtrans-64.1-29.7175.600000113.8S475 R481S475-G477 PolarHBondContact O-N 2.98Å; G477-R481 WeakPolarHBondContact O-CB 3.36Å; G477-R481 WeakPolarHBondContact O-CG 3.35Å; G477-R481 PolarHBondContact O-N 2.95Å; G477-R481 VanDerWaalsContact O-N 3.11Å; G477-R481 PolarHBondContact O-NE 2.9Å; G477-R481 VanDerWaalsContact O-NE 3.14Å
478L89.5Confident80Confident3 Ų365.4 Ų65.42%0.01635%0.354CS..Hα-helixtrans-74.6-36.7173.7-169.968.9000111.3L190 R196 L474 S475 A476 R481 A482L190-L478 HydrophobicContact CD2-CD1 3.55Å; L190-L478 HydrophobicContact CD2-CD2 3.82Å; L190-L478 HydrophobicContact CD2-CG 3.36Å; R196-L478 HydrophobicContact CB-CD2 4.31Å; L474-L478 HydrophobicContact CB-CD2 4.44Å; L474-L478 HydrophobicContact CD2-CD2 3.92Å; S475-L478 WeakPolarHBondContact O-CB 3.46Å; S475-L478 PolarHBondContact O-N 3.23Å; S475-L478 WeakPolarHBondContact OG-CB 3.21Å; S475-L478 PolarHBondContact OG-N 3.29Å; A476-L478 VanDerWaalsContact C-N 3.29Å; A476-L478 PolarHBondContact O-N 3.05Å; L478-R481 VanDerWaalsContact CD1-NH2 3.28Å; L478-A482 WeakPolarHBondContact O-CB 3.43Å; L478-A482 PolarHBondContact O-N 3.12Å
479Q91.1Very high82.9Confident7 Ų765.6 Ų65.63%0.03334%0.337CS..Hα-helixtrans-65.4-46173.9-62.4179.944.600111.9A316 Y340 L342 L474 S475 A476 R481 A482 Q483A316-Q479 PolarHBondContact O-NE2 3.48Å; A316-Q479 VanDerWaalsContact O-NE2 3.1Å; A316-Q479 PolarHBondContact O-OE1 2.95Å; Y340-Q479 HydrophobicContact CD1-CG 4.15Å; Y340-Q479 HydrophobicContact CE1-CG 4.37Å; L342-Q479 HydrophobicContact CD1-CB 4.45Å; L342-Q479 HydrophobicContact CD2-CB 4.16Å; L474-Q479 HydrophobicContact CB-CG 4.12Å; L474-Q479 PolarHBondContact O-NE2 3.2Å; S475-Q479 WeakPolarHBondContact O-CG 3.28Å; S475-Q479 PolarHBondContact O-N 3.03Å; A476-Q479 WeakPolarHBondContact O-CB 3.46Å; A476-Q479 PolarHBondContact O-N 3.27Å; A476-Q479 VanDerWaalsContact O-N 3.13Å; Q479-R481 PolarHBondContact O-N 3.38Å; Q479-A482 WeakPolarHBondContact O-CB 3.46Å; Q479-A482 PolarHBondContact O-N 3.44Å; Q479-Q483 WeakPolarHBondContact O-CB 3.26Å; Q479-Q483 PolarHBondContact O-N 3.15Å
480E91.5Very high85.7Confident125 Ų12560.1 Ų60.158%0.58431%0.307SS*.Hα-helixtrans-62.2-42.5176.2-73.2174.6-174.200111.8A476 Q483 A484A476-E480 WeakPolarHBondContact O-CG 3.2Å; A476-E480 PolarHBondContact O-N 3.31Å; E480-Q483 PolarHBondContact O-N 2.94Å; E480-A484 WeakPolarHBondContact O-CB 3.38Å; E480-A484 PolarHBondContact O-N 3.38Å
481R92.6Very high88Confident108 Ų10857.7 Ų57.741%0.40829%0.292SS..Hα-helixtrans-61.8-44.6174.3-77.9-176.6-66.9147-14.8112E195 G477 L478 Q479 Q483 A484 M485E195-R481 VanDerWaalsContact CD-NH2 3.29Å; E195-R481 IonicContact OE1-NH2 2.75Å; E195-R481 PolarHBondContact OE1-NH2 2.82Å; E195-R481 IonicContact OE2-NH2 3.37Å; E195-R481 PolarHBondContact OE2-NH2 3Å; G477-R481 WeakPolarHBondContact O-CB 3.36Å; G477-R481 WeakPolarHBondContact O-CG 3.35Å; G477-R481 PolarHBondContact O-N 2.95Å; G477-R481 VanDerWaalsContact O-N 3.11Å; G477-R481 PolarHBondContact O-NE 2.9Å; G477-R481 VanDerWaalsContact O-NE 3.14Å; L478-R481 VanDerWaalsContact CD1-NH2 3.28Å; Q479-R481 PolarHBondContact O-N 3.38Å; R481-Q483 VanDerWaalsContact C-N 3.33Å; R481-Q483 PolarHBondContact O-N 3.37Å; R481-A484 PolarHBondContact O-N 3.17Å; R481-M485 WeakPolarHBondContact O-CB 3.27Å; R481-M485 WeakPolarHBondContact O-CG 3.22Å; R481-M485 PolarHBondContact O-N 3.04Å
482A93.2Very high90Very high1 Ų162.2 Ų62.21%0.00832%0.315CS..Hα-helixtrans-55.7-50.117500000111.1L186 L190 L342 L352 L478 Q479 A484 M485 V486L186-A482 HydrophobicContact CD1-CB 3.75Å; L190-A482 HydrophobicContact CD1-CB 4.47Å; L190-A482 HydrophobicContact CD2-CB 4.23Å; L342-A482 HydrophobicContact CD1-CB 4.17Å; L352-A482 HydrophobicContact CD1-CB 4.46Å; L478-A482 WeakPolarHBondContact O-CB 3.43Å; L478-A482 PolarHBondContact O-N 3.12Å; Q479-A482 WeakPolarHBondContact O-CB 3.46Å; Q479-A482 PolarHBondContact O-N 3.44Å; A482-A484 PolarHBondContact O-N 2.97Å; A482-M485 PolarHBondContact O-N 2.82Å; A482-V486 WeakPolarHBondContact O-CG2 3.49Å; A482-V486 PolarHBondContact O-N 3.42Å; A482-V486 VanDerWaalsContact O-N 3.15Å
483Q94.1Very high91.2Very high41 Ų4161.5 Ų61.519%0.19231%0.308CS..Hα-helixtrans-59.5-46.6178.7-168.2-173.215.500111.8L342 S343 L344 Q479 E480 R481 V486 R487L342-Q483 HydrophobicContact CB-CG 4.42Å; L342-Q483 HydrophobicContact CD1-CB 4.44Å; S343-Q483 PolarHBondContact O-NE2 3.3Å; L344-Q483 HydrophobicContact CD2-CG 3.89Å; Q479-Q483 WeakPolarHBondContact O-CB 3.26Å; Q479-Q483 PolarHBondContact O-N 3.15Å; E480-Q483 PolarHBondContact O-N 2.94Å; R481-Q483 VanDerWaalsContact C-N 3.33Å; R481-Q483 PolarHBondContact O-N 3.37Å; Q483-V486 PolarHBondContact O-N 3.33Å; Q483-R487 VanDerWaalsContact NE2-NH2 3.15Å; Q483-R487 WeakPolarHBondContact O-CB 3.3Å; Q483-R487 WeakPolarHBondContact O-CG 3.4Å; Q483-R487 PolarHBondContact O-N 3.18Å
484A94.4Very high91.9Very high54 Ų5458.2 Ų58.245%0.44630%0.297SS..Hα-helixtrans-61.8-44.5178.900000112.1E480 R481 A482 V486 R487 E488E480-A484 WeakPolarHBondContact O-CB 3.38Å; E480-A484 PolarHBondContact O-N 3.38Å; R481-A484 PolarHBondContact O-N 3.17Å; A482-A484 PolarHBondContact O-N 2.97Å; A484-V486 PolarHBondContact O-N 3.23Å; A484-R487 PolarHBondContact O-N 3.37Å; A484-E488 WeakPolarHBondContact O-CB 3.17Å; A484-E488 PolarHBondContact O-N 3.3Å
485M94.8Very high92.2Very high41 Ų4163 Ų6320%0.20232%0.323CS..Hα-helixtrans-59.8-44.6178.2-73.2173.366.800112.3F181 R185 L186 Q189 R481 A482 K489F181-M485 HydrophobicContact CZ-CB 4.12Å; F181-M485 HydrophobicContact CZ-CE 4.49Å; F181-M485 WeakPolarHBondContact CZ-O 3.4Å; R185-M485 HydrophobicContact CB-CE 4.13Å; L186-M485 HydrophobicContact CD1-SD 4.4Å; Q189-M485 PolarHBondContact OE1-SD 3.48Å; Q189-M485 VanDerWaalsContact OE1-SD 3.33Å; R481-M485 WeakPolarHBondContact O-CB 3.27Å; R481-M485 WeakPolarHBondContact O-CG 3.22Å; R481-M485 PolarHBondContact O-N 3.04Å; A482-M485 PolarHBondContact O-N 2.82Å; M485-K489 WeakPolarHBondContact O-CB 3.45Å; M485-K489 PolarHBondContact O-N 3.43Å
486V94.4Very high92.4Very high3 Ų365.6 Ų65.62%0.01833%0.33CS..Hα-helixtrans-72.4-37.3179.8-170.90000111F181 L186 V206 L344 L350 A482 Q483 A484 K489 L490F181-V486 HydrophobicContact CE1-CG2 4.05Å; L186-V486 HydrophobicContact CD1-CG2 4.21Å; L186-V486 HydrophobicContact CD2-CG2 3.91Å; V206-V486 HydrophobicContact CG2-CG1 4.26Å; L344-V486 HydrophobicContact CD1-CB 4.13Å; L344-V486 HydrophobicContact CD1-CG1 3.53Å; L344-V486 HydrophobicContact CD2-CB 4.05Å; L344-V486 HydrophobicContact CD2-CG1 4.37Å; L350-V486 HydrophobicContact CD1-CG2 4.4Å; L350-V486 HydrophobicContact CD2-CB 4.42Å; L350-V486 HydrophobicContact CD2-CG2 3.64Å; A482-V486 WeakPolarHBondContact O-CG2 3.49Å; A482-V486 PolarHBondContact O-N 3.42Å; A482-V486 VanDerWaalsContact O-N 3.15Å; Q483-V486 PolarHBondContact O-N 3.33Å; A484-V486 PolarHBondContact O-N 3.23Å; V486-K489 PolarHBondContact O-N 3.26Å; V486-L490 HydrophobicContact CG1-CD1 3.72Å; V486-L490 HydrophobicContact CG1-CG 4.24Å; V486-L490 WeakPolarHBondContact O-CB 3.35Å; V486-L490 PolarHBondContact O-N 3.11Å
487R95Very high92.6Very high93 Ų9363.3 Ų63.335%0.35131%0.311SS..Hα-helixtrans-59.3-50.1174.1-80.4177.5169.1168.7-0.3112S343 L344 W345 Q483 A484 K489 L490 V491S343-R487 PolarHBondContact O-NH2 2.83Å; L344-R487 HydrophobicContact CB-CG 4.19Å; L344-R487 HydrophobicContact CD2-CG 3.98Å; L344-R487 PolarHBondContact O-NE 2.89Å; L344-R487 PolarHBondContact O-NH2 3.45Å; W345-R487 HydrophobicContact CH2-CB 4.03Å; W345-R487 HydrophobicContact CH2-CG 4.04Å; W345-R487 VanDerWaalsContact CH2-O 3.28Å; W345-R487 WeakPolarHBondContact CH2-O 3.41Å; W345-R487 HydrophobicContact CZ2-CB 4.04Å; W345-R487 HydrophobicContact CZ2-CG 3.98Å; W345-R487 HydrophobicContact CZ3-CG 4.41Å; Q483-R487 VanDerWaalsContact NE2-NH2 3.15Å; Q483-R487 WeakPolarHBondContact O-CB 3.3Å; Q483-R487 WeakPolarHBondContact O-CG 3.4Å; Q483-R487 PolarHBondContact O-N 3.18Å; A484-R487 PolarHBondContact O-N 3.37Å; R487-K489 PolarHBondContact O-N 3.21Å; R487-L490 PolarHBondContact O-N 3.49Å; R487-V491 WeakPolarHBondContact O-CB 3.23Å; R487-V491 PolarHBondContact O-N 2.87Å
488E94.9Very high92.7Very high156 Ų15663.4 Ų63.473%0.72930%0.304SS*.Hα-helixtrans-57.8-39.8177.7-172.2-172.6166.500111.2A484A484-E488 WeakPolarHBondContact O-CB 3.17Å; A484-E488 PolarHBondContact O-N 3.3Å
489K93.5Very high92.7Very high101 Ų10166.6 Ų66.644%0.43932%0.323SS..Hα-helixtrans-71.5-30.6-178.7-171.359178.6173.40114F181 M485 V486 R487F181-K489 HydrophobicContact CD1-CB 4.5Å; F181-K489 HydrophobicContact CD1-CG 4.15Å; F181-K489 HydrophobicContact CD2-CB 4.5Å; F181-K489 HydrophobicContact CD2-CD 4.15Å; F181-K489 HydrophobicContact CD2-CG 3.97Å; F181-K489 HydrophobicContact CE1-CB 4.09Å; F181-K489 HydrophobicContact CE1-CG 4.23Å; F181-K489 HydrophobicContact CE2-CB 4.09Å; F181-K489 HydrophobicContact CE2-CD 4.34Å; F181-K489 HydrophobicContact CE2-CG 4.06Å; F181-K489 HydrophobicContact CG-CG 4.01Å; F181-K489 HydrophobicContact CZ-CB 3.87Å; F181-K489 HydrophobicContact CZ-CG 4.19Å; M485-K489 WeakPolarHBondContact O-CB 3.45Å; M485-K489 PolarHBondContact O-N 3.43Å; V486-K489 PolarHBondContact O-N 3.26Å; R487-K489 PolarHBondContact O-N 3.21Å
490L93.6Very high92.5Very high3 Ų368.1 Ų68.12%0.01633%0.33CS..Hα-helixtrans-106.7-3.4-172.6-67.1-177.4000114.5V206 L213 L344 W345 V486 R487 D492 W493 K494V206-L490 HydrophobicContact CG1-CD1 4.12Å; L213-L490 HydrophobicContact CD2-CD1 4.16Å; L213-L490 HydrophobicContact CD2-CD2 4.23Å; L344-L490 HydrophobicContact CD1-CD1 4.36Å; W345-L490 HydrophobicContact CH2-CB 4.05Å; W345-L490 HydrophobicContact CZ3-CB 3.92Å; V486-L490 HydrophobicContact CG1-CD1 3.72Å; V486-L490 HydrophobicContact CG1-CG 4.24Å; V486-L490 WeakPolarHBondContact O-CB 3.35Å; V486-L490 PolarHBondContact O-N 3.11Å; R487-L490 PolarHBondContact O-N 3.49Å; L490-D492 VanDerWaalsContact C-N 3.34Å; L490-D492 PolarHBondContact O-N 3.32Å; L490-W493 CarbonylContact O-C 3.55Å; L490-W493 PolarHBondContact O-N 2.95Å; L490-K494 PolarHBondContact O-N 3.39Å
491V94.3Very high92.1Very high74 Ų7462.2 Ų62.245%0.44830%0.303SS..G310 helixtrans-54.9-46-172.766.50000112.9W345 R487 W493 K494W345-V491 HydrophobicContact CH2-CB 4.47Å; W345-V491 HydrophobicContact CZ2-CB 4.28Å; W345-V491 HydrophobicContact CZ2-CG2 4.41Å; R487-V491 WeakPolarHBondContact O-CB 3.23Å; R487-V491 PolarHBondContact O-N 2.87Å; V491-W493 PolarHBondContact O-N 3.44Å; V491-K494 WeakPolarHBondContact O-CB 3.47Å; V491-K494 PolarHBondContact O-N 3.03Å
492D93.1Very high91.6Very high148 Ų14860.4 Ų60.479%0.79130%0.298SS*.G310 helixtrans-69.5-18.4-179.1-59.7-33.5000112.9L490L490-D492 VanDerWaalsContact C-N 3.34Å; L490-D492 PolarHBondContact O-N 3.32Å
493W91.3Very high90.6Very high93 Ų9368.7 Ų68.735%0.35233%0.329SS..G310 helixtrans-101.5-7.7-178.4-64.791.8000113H171 L174 L490 V491 D495 F496 L497H171-W493 AromaticContact NE2-CH2 3.95Å; H171-W493 AromaticContact NE2-CZ3 3.64Å; L174-W493 HydrophobicContact CD1-CD2 3.87Å; L174-W493 HydrophobicContact CD1-CE3 4.45Å; L174-W493 HydrophobicContact CD1-CG 3.96Å; L174-W493 HydrophobicContact CD1-CZ2 4.46Å; L174-W493 HydrophobicContact CD2-CB 4.37Å; L174-W493 HydrophobicContact CD2-CD2 3.88Å; L174-W493 HydrophobicContact CD2-CE3 3.73Å; L174-W493 HydrophobicContact CD2-CG 4.17Å; L174-W493 HydrophobicContact CD2-CZ3 4.31Å; L174-W493 HydrophobicContact CG-CD2 4.49Å; L490-W493 CarbonylContact O-C 3.55Å; L490-W493 PolarHBondContact O-N 2.95Å; V491-W493 PolarHBondContact O-N 3.44Å; W493-D495 PolarHBondContact O-N 2.91Å; W493-F496 AromaticContact CE3-CD1 3.81Å; W493-F496 HydrophobicContact CE3-CD1 3.81Å; W493-F496 HydrophobicContact CE3-CE1 4.24Å; W493-F496 HydrophobicContact CE3-CG 4.37Å; W493-F496 HydrophobicContact CZ3-CD1 4.26Å; W493-F496 HydrophobicContact CZ3-CE1 4.33Å; W493-F496 PolarHBondContact O-N 3.28Å; W493-L497 HydrophobicContact CB-CD1 3.98Å; W493-L497 HydrophobicContact CB-CG 4.26Å; W493-L497 WeakPolarHBondContact O-CB 3.41Å; W493-L497 WeakPolarHBondContact O-CG 3.48Å; W493-L497 PolarHBondContact O-N 3.37Å
494K92.2Very high89Confident58 Ų5870.6 Ų70.625%0.25234%0.34SS..Hα-helixtrans-52-59-172178.7-156.7165.5-141.20112.1W345 I348 L490 V491 F496 L497 L498W345-K494 HydrophobicContact CD2-CD 3.98Å; W345-K494 HydrophobicContact CD2-CG 3.96Å; W345-K494 HydrophobicContact CE3-CG 4.2Å; W345-K494 HydrophobicContact CG-CD 3.88Å; W345-K494 HydrophobicContact CG-CG 4.15Å; I348-K494 HydrophobicContact CD1-CG 4.13Å; L490-K494 PolarHBondContact O-N 3.39Å; V491-K494 WeakPolarHBondContact O-CB 3.47Å; V491-K494 PolarHBondContact O-N 3.03Å; K494-F496 VanDerWaalsContact C-N 3.34Å; K494-F496 PolarHBondContact O-N 2.86Å; K494-L497 PolarHBondContact O-N 2.84Å; K494-L498 HydrophobicContact CG-CD1 4.32Å; K494-L498 WeakPolarHBondContact O-CG 3.4Å; K494-L498 PolarHBondContact O-N 3.27Å
495D91.8Very high87Confident103 Ų10373.5 Ų73.555%0.55135%0.347SS*.Hα-helixtrans-69.1-36.7-173.3-57-33.6000111.2W493 L497 L498 V499W493-D495 PolarHBondContact O-N 2.91Å; D495-L497 PolarHBondContact O-N 3.07Å; D495-L498 PolarHBondContact O-N 2.84Å; D495-V499 WeakPolarHBondContact O-CG2 3.44Å; D495-V499 PolarHBondContact O-N 2.96Å
496F90.9Very high84.9Confident87 Ų8774.9 Ų74.938%0.38236%0.358SS..Hα-helixtrans-58.5-46.3172.5170.8-95.8000112.2H171 W493 K494 V499 K500H171-F496 AromaticContact CD2-CE1 3.6Å; H171-F496 AromaticContact CD2-CZ 3.7Å; W493-F496 AromaticContact CE3-CD1 3.81Å; W493-F496 HydrophobicContact CE3-CD1 3.81Å; W493-F496 HydrophobicContact CE3-CE1 4.24Å; W493-F496 HydrophobicContact CE3-CG 4.37Å; W493-F496 HydrophobicContact CZ3-CD1 4.26Å; W493-F496 HydrophobicContact CZ3-CE1 4.33Å; W493-F496 PolarHBondContact O-N 3.28Å; K494-F496 VanDerWaalsContact C-N 3.34Å; K494-F496 PolarHBondContact O-N 2.86Å; F496-V499 PolarHBondContact O-N 3.27Å; F496-K500 HydrophobicContact CE1-CD 3.65Å; F496-K500 HydrophobicContact CE2-CD 4.4Å; F496-K500 HydrophobicContact CZ-CD 3.53Å; F496-K500 WeakPolarHBondContact O-CB 3.18Å; F496-K500 PolarHBondContact O-N 2.99Å
497L90.7Very high82.7Confident1 Ų177 Ų771%0.00537%0.368CS..Hα-helixtrans-64.6-42.8-179.6-73.7170000111.6L169 L174 V208 L213 I348 W493 K494 D495 K500 S501L169-L497 HydrophobicContact CD1-CD2 3.96Å; L174-L497 HydrophobicContact CD2-CD2 3.84Å; L174-L497 HydrophobicContact CD2-CG 4.41Å; V208-L497 HydrophobicContact CG1-CB 4.27Å; V208-L497 HydrophobicContact CG2-CB 4.26Å; L213-L497 HydrophobicContact CD1-CD2 3.61Å; L213-L497 HydrophobicContact CD2-CD1 3.68Å; L213-L497 HydrophobicContact CD2-CD2 4.09Å; L213-L497 HydrophobicContact CG-CD2 4.43Å; I348-L497 HydrophobicContact CD1-CB 4.49Å; W493-L497 HydrophobicContact CB-CD1 3.98Å; W493-L497 HydrophobicContact CB-CG 4.26Å; W493-L497 WeakPolarHBondContact O-CB 3.41Å; W493-L497 WeakPolarHBondContact O-CG 3.48Å; W493-L497 PolarHBondContact O-N 3.37Å; K494-L497 PolarHBondContact O-N 2.84Å; D495-L497 PolarHBondContact O-N 3.07Å; L497-K500 PolarHBondContact O-N 3.43Å; L497-S501 WeakPolarHBondContact O-CB 3.33Å; L497-S501 PolarHBondContact O-N 3.41Å; L497-S501 PolarHBondContact O-OG 3.46Å
498L90.8Very high80.6Confident32 Ų3276.8 Ų76.817%0.16838%0.377CS..Hα-helixtrans-59.9-50.9177.1-69.9172.9000110.9V208 I348 K494 D495 K500 S501 K502V208-L498 HydrophobicContact CG1-CD2 4.41Å; I348-L498 HydrophobicContact CD1-CD2 4.24Å; I348-L498 HydrophobicContact CD1-CG 4.24Å; I348-L498 HydrophobicContact CG1-CD2 3.87Å; I348-L498 HydrophobicContact CG1-CG 4.43Å; K494-L498 HydrophobicContact CG-CD1 4.32Å; K494-L498 WeakPolarHBondContact O-CG 3.4Å; K494-L498 PolarHBondContact O-N 3.27Å; D495-L498 PolarHBondContact O-N 2.84Å; L498-K500 PolarHBondContact O-N 3.36Å; L498-S501 PolarHBondContact O-N 2.96Å; L498-S501 PolarHBondContact O-OG 2.88Å; L498-K502 PolarHBondContact O-N 3.26Å
499V88.4Confident78.4Confident69 Ų6972.9 Ų72.942%0.41837%0.367SS..Hα-helixtrans-62.2-44177.8174.10000111.5D495 F496 S501 K502 R503D495-V499 WeakPolarHBondContact O-CG2 3.44Å; D495-V499 PolarHBondContact O-N 2.96Å; F496-V499 PolarHBondContact O-N 3.27Å; V499-S501 VanDerWaalsContact C-N 3.3Å; V499-S501 PolarHBondContact O-N 3.41Å; V499-K502 PolarHBondContact O-N 3.04Å; V499-R503 HydrophobicContact CG1-CG 4.39Å; V499-R503 PolarHBondContact O-N 3.44Å; V499-R503 VanDerWaalsContact O-N 3.13Å
500K86.2Confident75.9Confident40 Ų4074.6 Ų74.617%0.17437%0.372CS..Hα-helixtrans-63.8-37.1-178.9-174.9162.9-176.3159.50112.3I170 F496 L497 L498 K502I170-K500 WeakPolarHBondContact O-CE 3.49Å; I170-K500 PolarHBondContact O-NZ 2.85Å; F496-K500 HydrophobicContact CE1-CD 3.65Å; F496-K500 HydrophobicContact CE2-CD 4.4Å; F496-K500 HydrophobicContact CZ-CD 3.53Å; F496-K500 WeakPolarHBondContact O-CB 3.18Å; F496-K500 PolarHBondContact O-N 2.99Å; L497-K500 PolarHBondContact O-N 3.43Å; L498-K500 PolarHBondContact O-N 3.36Å; K500-K502 VanDerWaalsContact C-N 3.34Å
501S84.9Confident73.1Confident1 Ų178.9 Ų78.91%0.00740%0.4CS..Hα-helixtrans-68.4-30.3176.871.30000113.2V208 H209 K211 L497 L498 V499V208-S501 WeakPolarHBondContact CG1-OG 3.5Å; H209-S501 PolarHBondContact CE1-OG 3.25Å; H209-S501 VanDerWaalsContact CE1-OG 3.28Å; H209-S501 PolarHBondContact ND1-OG 3.19Å; K211-S501 PolarHBondContact NZ-O 2.85Å; L497-S501 WeakPolarHBondContact O-CB 3.33Å; L497-S501 PolarHBondContact O-N 3.41Å; L497-S501 PolarHBondContact O-OG 3.46Å; L498-S501 PolarHBondContact O-N 2.96Å; L498-S501 PolarHBondContact O-OG 2.88Å; V499-S501 VanDerWaalsContact C-N 3.3Å; V499-S501 PolarHBondContact O-N 3.41Å
502K81.8Confident70.5Confident69 Ų6982.7 Ų82.730%0.341%0.411SS..Hα-helixtrans-77.7-41.1176.9-66.3-171.3-176-171.90112.4V244 D247 L498 V499 K500 N504V244-K502 PolarHBondContact O-NZ 3.43Å; D247-K502 IonicContact OD2-NZ 3.63Å; D247-K502 PolarHBondContact OD2-NZ 2.87Å; L498-K502 PolarHBondContact O-N 3.26Å; V499-K502 PolarHBondContact O-N 3.04Å; K500-K502 VanDerWaalsContact C-N 3.34Å; K502-N504 VanDerWaalsContact C-N 3.35Å; K502-N504 PolarHBondContact O-N 2.88Å
503R70.9Confident67.6Low175 Ų17583.9 Ų83.966%0.6641%0.409SS*.SBendtrans-80.9-1.7-170.2-64.3-174.6176.9177.3-1.1115.9V499 I505V499-R503 HydrophobicContact CG1-CG 4.39Å; V499-R503 PolarHBondContact O-N 3.44Å; V499-R503 VanDerWaalsContact O-N 3.13Å; R503-I505 HydrophobicContact CB-CD1 3.54Å; R503-I505 HydrophobicContact CB-CG1 3.45Å; R503-I505 VanDerWaalsContact CB-CG1 3.45Å; R503-I505 HydrophobicContact CG-CD1 4.36Å; R503-I505 WeakPolarHBondContact O-CG1 3.38Å; R503-I505 PolarHBondContact O-N 3.37Å
504N61.5Low64.9Low82 Ų8286.2 Ų86.244%0.43942%0.422SS..  trans49.226.2176.8-70.4-19.4000115.9K211 K502 T506 M507K211-N504 WeakPolarHBondContact CE-OD1 3.49Å; K211-N504 PolarHBondContact NZ-OD1 3.13Å; K502-N504 VanDerWaalsContact C-N 3.35Å; K502-N504 PolarHBondContact O-N 2.88Å; N504-T506 VanDerWaalsContact C-N 3.29Å; N504-T506 PolarHBondContact O-N 3.08Å; N504-M507 HydrophobicContact CB-CG 4.32Å
505I51Low62.6Low115 Ų11585.5 Ų85.559%0.5942%0.419SS*.SBendtrans-69.9-23.1-161.5-57.3-178.5000113.3R503R503-I505 HydrophobicContact CB-CD1 3.54Å; R503-I505 HydrophobicContact CB-CG1 3.45Å; R503-I505 VanDerWaalsContact CB-CG1 3.45Å; R503-I505 HydrophobicContact CG-CD1 4.36Å; R503-I505 WeakPolarHBondContact O-CG1 3.38Å; R503-I505 PolarHBondContact O-N 3.37Å
506T50.9Low60Low70 Ų7084.7 Ų84.743%0.42941%0.411SS..SBendtrans-154.196.8170.641.70000108.6I170 N504I170-T506 VanDerWaalsContact CB-O 3.31Å; I170-T506 WeakPolarHBondContact CB-O 3.06Å; I170-T506 VanDerWaalsContact CD1-O 3.26Å; I170-T506 WeakPolarHBondContact CD1-O 3.34Å; I170-T506 WeakPolarHBondContact CG1-O 3.18Å; N504-T506 VanDerWaalsContact C-N 3.29Å; N504-T506 PolarHBondContact O-N 3.08Å
507M49.2Very low57.2Low47 Ų4786.8 Ų86.823%0.23242%0.422CS..EExtended strand (participates in β ladder)trans-120.1136.6177.8-60.3-57.4-67.100108.9E167 R168 L169 K211 N504E167-M507 HydrophobicContact CB-CE 3.61Å; E167-M507 HydrophobicContact CG-CE 3.96Å; E167-M507 VanDerWaalsContact OE2-CE 3.27Å; E167-M507 WeakPolarHBondContact OE2-CE 3.36Å; R168-M507 WeakPolarHBondContact O-CE 3.45Å; L169-M507 HydrophobicContact CD2-SD 4.24Å; K211-M507 HydrophobicContact CB-CE 4.34Å; K211-M507 HydrophobicContact CD-CE 3.51Å; K211-M507 HydrophobicContact CD-SD 4.18Å; K211-M507 HydrophobicContact CG-CE 3.71Å; N504-M507 HydrophobicContact CB-CG 4.32Å
508V50.3Low54.4Low89 Ų8993.7 Ų93.754%0.53946%0.464SS..EExtended strand (participates in β ladder)trans-122.8122171.61720000106.5I170 Y510I170-V508 HydrophobicContact CD1-CB 3.96Å; I170-V508 HydrophobicContact CD1-CG2 3.5Å; I170-V508 VanDerWaalsContact CD1-CG2 3.5Å; V508-Y510 PolarHBondContact O-N 3.26Å
509S48.3Very low51.4Low74 Ų7498.3 Ų98.352%0.51749%0.488SS..EExtended strand (participates in β ladder)trans-63.1120.1167.249.90000108.5P511S509-P511 WeakPolarHBondContact O-CD 3.19Å
510Y41.5Very low48.7Very low136 Ų136100.9 Ų100.953%0.53351%0.507SS..  trans-63.3123.5175.6-144.8-96.5000108.7V508 F512V508-Y510 PolarHBondContact O-N 3.26Å; Y510-F512 PolarHBondContact O-N 2.97Å
511P35.9Very low46Very low94 Ų94105.4 Ų105.461%0.6153%0.531SS*.  trans-79.286.9-174.430.8-32.3000109.7S509S509-P511 WeakPolarHBondContact O-CD 3.19Å
512F38.1Very low43.5Very low154 Ų154110.2 Ų110.268%0.67556%0.562SS**  trans-122.595.6152.7-118.8-91000106.5P226 Y510P226-F512 HydrophobicContact CG-CB 3.79Å; Y510-F512 PolarHBondContact O-N 2.97Å
513F32.9Very low40.9Very low173 Ų173118 Ų11876%0.75959%0.591SS**  trans-73.4136.4-177.7-98.5-88.9000111.3
514F34.8Very low38.9Very low142 Ų142120.3 Ų120.362%0.62360%0.6SS**  trans84.7102.9168.3-57.3-72000118.5Q517F514-Q517 HydrophobicContact CB-CB 4.44Å; F514-Q517 HydrophobicContact CD1-CG 4.39Å
515F44.1Very low37.2Very low42 Ų42122.1 Ų122.118%0.18462%0.619CS.*SBendtrans-80-25.5177.4-167.2-110.4000113.3V106 E164 S227 L230V106-F515 HydrophobicContact CG2-CE1 4.4Å; E164-F515 HydrophobicContact CB-CB 3.94Å; E164-F515 HydrophobicContact CB-CD1 4.04Å; E164-F515 HydrophobicContact CB-CD2 3.89Å; E164-F515 HydrophobicContact CB-CE1 4.46Å; E164-F515 HydrophobicContact CB-CE2 4.27Å; E164-F515 HydrophobicContact CB-CG 3.78Å; E164-F515 HydrophobicContact CG-CB 4.48Å; E164-F515 HydrophobicContact CG-CD1 3.85Å; E164-F515 HydrophobicContact CG-CE1 4.06Å; E164-F515 HydrophobicContact CG-CG 4.12Å; E164-F515 HydrophobicContact CG-CZ 4.49Å; E164-F515 WeakPolarHBondContact OE1-CD1 3.45Å; E164-F515 VanDerWaalsContact OE1-CE1 3.31Å; E164-F515 WeakPolarHBondContact OE1-CE1 3.41Å; E164-F515 VanDerWaalsContact OE2-CB 3.23Å; E164-F515 WeakPolarHBondContact OE2-CB 3.4Å; E164-F515 VanDerWaalsContact OE2-CD1 3.23Å; E164-F515 WeakPolarHBondContact OE2-CD1 3.38Å; S227-F515 VanDerWaalsContact CA-CE2 3.4Å; S227-F515 VanDerWaalsContact CB-CE2 3.4Å; L230-F515 HydrophobicContact CB-CE2 4.48Å; L230-F515 HydrophobicContact CD1-CD2 4.29Å; L230-F515 HydrophobicContact CD1-CE2 3.66Å; L230-F515 HydrophobicContact CD1-CZ 4.38Å
516F36.7Very low36Very low86 Ų86121.7 Ų121.738%0.37762%0.622SS.*SBendtrans-154.379.5176.7-76.4-71000112.2Y105Y105-F516 AromaticContact CD1-CD1 3.75Å; Y105-F516 HydrophobicContact CD1-CD1 3.75Å; Y105-F516 AromaticContact CD1-CE1 3.56Å; Y105-F516 HydrophobicContact CD1-CE1 3.56Å; Y105-F516 HydrophobicContact CD1-CG 4.41Å; Y105-F516 HydrophobicContact CD1-CZ 4.08Å; Y105-F516 HydrophobicContact CE1-CD1 4.2Å; Y105-F516 HydrophobicContact CE1-CE1 4.34Å; Y105-F516 HydrophobicContact CG-CD1 4.07Å; Y105-F516 HydrophobicContact CG-CD2 4.32Å; Y105-F516 AromaticContact CG-CE1 3.97Å; Y105-F516 HydrophobicContact CG-CE1 3.97Å; Y105-F516 HydrophobicContact CG-CE2 4.24Å; Y105-F516 HydrophobicContact CG-CG 4.29Å; Y105-F516 HydrophobicContact CG-CZ 4.1Å
517Q33.2Very low34.7Very low131 Ų131123.7 Ų123.761%0.61263%0.634SS**  trans-128.387.1163.7-93.7-172.2-17.800111.1F514F514-Q517 HydrophobicContact CB-CB 4.44Å; F514-Q517 HydrophobicContact CD1-CG 4.39Å
518T30.7Very low33.5Very low146 Ų146126.3 Ų126.390%0.89666%0.656SS**  trans-112.864.2144.955.10000108.3
519L28.8Very low32.3Very low129 Ų129131.1 Ų131.168%0.67567%0.67SS**  trans-127.3129.7161.8-86.1171000108I521L519-I521 PolarHBondContact O-N 3.19Å
520P30.4Very low31.1Very low124 Ų124133.6 Ų133.681%0.80568%0.682SS**  trans-85.498.2168.932.8-25.2000107.8
521I30.2Very low30.4Very low134 Ų134133.5 Ų133.569%0.68770%0.695SS**  trans-134.3126.9167-55.6-179.3000109.5L519L519-I521 PolarHBondContact O-N 3.19Å
522P31.8Very low30Very low102 Ų102138.1 Ų138.166%0.66273%0.728SS**  trans-78.1127.5177.333.1-30.2000108
523Y28.1Very low29.6Very low233 Ų233137.4 Ų137.491%0.91473%0.73SS**  trans172.9104139.4-94.1-69.9000107.4
524R29Very low29.4Very low223 Ų223135.5 Ų135.584%0.84273%0.729SS**  trans-60.6133.2169.5-87.2179.6169.2-179.2-3.9109.4
525S25Very low29.1Very low121 Ų121135.1 Ų135.185%0.84673%0.734SS**  trans-134.6100142.1-74.90000107.2V527S525-V527 PolarHBondContact O-N 2.63Å
526T25.6Very low28.2Very low105 Ų105140.6 Ų140.664%0.64477%0.767SS**  trans-71109.9178.5-52.30000108.3
527V24.5Very low27.7Very low112 Ų112144 Ų14468%0.67979%0.791SS**  trans-100.7101.8161.7-1760000106.8S525 F529S525-V527 PolarHBondContact O-N 2.63Å; V527-F529 HydrophobicContact CG1-CD2 3.93Å; V527-F529 HydrophobicContact CG1-CE2 3.57Å; V527-F529 HydrophobicContact CG1-CZ 4.4Å; V527-F529 PolarHBondContact O-N 3.21Å
528C24.2Very low27.3Very low103 Ų103144.9 Ų144.970%0.69680%0.803SS**PPolyproline II helixtrans-66.1121.9169.3-69.20000108.8
529F25.2Very low27.1Very low189 Ų189144.8 Ų144.883%0.82980%0.797SS**PPolyproline II helixtrans-103.4125.6158.8-87.1-82.4000109.7V527V527-F529 HydrophobicContact CG1-CD2 3.93Å; V527-F529 HydrophobicContact CG1-CE2 3.57Å; V527-F529 HydrophobicContact CG1-CZ 4.4Å; V527-F529 PolarHBondContact O-N 3.21Å
530V23.3Very low27Very low126 Ų126146 Ų14676%0.76481%0.806SS**PPolyproline II helixtrans-70.3132.3-174.1172.20000109.7
531V26.1Very low26.7Very low135 Ų135147.8 Ų147.882%0.81881%0.806SS**PPolyproline II helixtrans-76.1126.1168.8178.80000108.2
532C27.2Very low26.3Very low191 Ų191149.1 Ų149.1100%1.29182%0.817SS**  trans-120.40156.7-78.40000108.6

Retrieved 532 of 532 residues in 1163.3 ms (Link to these results)

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