A0A087XGE7_POEFO Loading...

RAS guanyl releasing protein 3 (calcium and DAG-regulated)

AlphaFold DB , UniProt , Accession A0A087XGE7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 635 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M64.9Low85Confident187 Ų187101.5 Ų101.592%0.92146%0.463SS*.  0-50.80-125.5-167.1-169.700113.5L4 K5M1-L4 PolarHBondContact O-N 3.08Å; M1-K5 WeakPolarHBondContact O-CG 3.31Å; M1-K5 PolarHBondContact O-N 3.14Å
2T81.5Confident85.6Confident106 Ų106103.8 Ų103.865%0.6547%0.471SS*.Hα-helixtrans-63.3-43.6-176.1-44.70000114.2L4 K5 I6T2-L4 PolarHBondContact O-N 2.84Å; T2-K5 WeakPolarHBondContact O-CB 3.42Å; T2-K5 PolarHBondContact O-N 3.09Å; T2-I6 HydrophobicContact CG2-CD1 4.43Å; T2-I6 WeakPolarHBondContact O-CG1 3.34Å; T2-I6 PolarHBondContact O-N 2.85Å
3R80.4Confident86.1Confident153 Ų153102.9 Ų102.958%0.57746%0.462SS*.Hα-helixtrans-60.1-42.6178-65.2-178.4-177.2173.2-0.7113I6 C7R3-I6 WeakPolarHBondContact O-CB 3.08Å; R3-I6 PolarHBondContact O-N 2.74Å; R3-C7 PolarHBondContact O-N 3.01Å; R3-C7 PolarHBondContact O-SG 3.36Å
4L82.3Confident86.4Confident54 Ų5496.4 Ų96.428%0.28343%0.433SS..Hα-helixtrans-63.2-42.2176.1179.152.7000111.6M1 T2 I6 C7 Y8 H46M1-L4 PolarHBondContact O-N 3.08Å; T2-L4 PolarHBondContact O-N 2.84Å; L4-I6 VanDerWaalsContact C-N 3.29Å; L4-I6 PolarHBondContact O-N 3.35Å; L4-C7 PolarHBondContact O-N 3.49Å; L4-Y8 HydrophobicContact CD1-CD2 3.62Å; L4-Y8 HydrophobicContact CD1-CE2 3.28Å; L4-Y8 HydrophobicContact CD2-CE2 3.99Å; L4-Y8 HydrophobicContact CG-CD2 3.72Å; L4-Y8 HydrophobicContact CG-CE2 3.49Å; L4-Y8 VanDerWaalsContact CG-CE2 3.49Å; L4-Y8 VanDerWaalsContact O-CD2 3.26Å; L4-Y8 WeakPolarHBondContact O-CD2 3.4Å; L4-Y8 PolarHBondContact O-N 2.88Å; L4-H46 VanDerWaalsContact CD1-CD2 3.48Å; L4-H46 WeakPolarHBondContact CD1-CD2 3.47Å; L4-H46 VanDerWaalsContact CD1-NE2 3.29Å; L4-H46 WeakPolarHBondContact CD1-NE2 3.14Å
5K87.5Confident86.5Confident135 Ų13596.4 Ų96.459%0.58744%0.443SS*.Hα-helixtrans-59.8-38.7174.2-70179.3178.3-174.90112.3M1 T2 Y8 F9M1-K5 WeakPolarHBondContact O-CG 3.31Å; M1-K5 PolarHBondContact O-N 3.14Å; T2-K5 WeakPolarHBondContact O-CB 3.42Å; T2-K5 PolarHBondContact O-N 3.09Å; K5-Y8 PolarHBondContact O-N 2.93Å; K5-F9 WeakPolarHBondContact O-CB 3.39Å; K5-F9 PolarHBondContact O-N 2.79Å
6I88.8Confident86.5Confident79 Ų7994.4 Ų94.441%0.40544%0.44SS..Hα-helixtrans-65-44175.4-64.1166.1000110.8T2 R3 L4 Y8 F9 M10 F34T2-I6 HydrophobicContact CG2-CD1 4.43Å; T2-I6 WeakPolarHBondContact O-CG1 3.34Å; T2-I6 PolarHBondContact O-N 2.85Å; R3-I6 WeakPolarHBondContact O-CB 3.08Å; R3-I6 PolarHBondContact O-N 2.74Å; L4-I6 VanDerWaalsContact C-N 3.29Å; L4-I6 PolarHBondContact O-N 3.35Å; I6-Y8 VanDerWaalsContact C-N 3.34Å; I6-Y8 PolarHBondContact O-N 3.26Å; I6-F9 WeakPolarHBondContact O-CB 3.42Å; I6-F9 PolarHBondContact O-N 3.23Å; I6-M10 WeakPolarHBondContact O-CG 3.44Å; I6-M10 PolarHBondContact O-N 2.92Å; I6-F34 HydrophobicContact CG2-CE1 4.34Å; I6-F34 HydrophobicContact CG2-CZ 3.76Å
7C86.7Confident86.4Confident10 Ų1095.2 Ų95.27%0.06844%0.442CS..Hα-helixtrans-63.3-40.3177.1-60.20000111.8R3 L4 M10 R11 H46 L49R3-C7 PolarHBondContact O-N 3.01Å; R3-C7 PolarHBondContact O-SG 3.36Å; L4-C7 PolarHBondContact O-N 3.49Å; C7-M10 PolarHBondContact O-N 3Å; C7-R11 PolarHBondContact O-N 2.81Å; C7-H46 HydrophobicContact CB-CB 4.26Å; C7-L49 HydrophobicContact CB-CD1 4.19Å
8Y89.4Confident86.3Confident130 Ų13091.1 Ų91.151%0.5143%0.426SS..Hα-helixtrans-65.3-38.3173.5-82.2-61000112.9L4 K5 I6 R11 F12 L49L4-Y8 HydrophobicContact CD1-CD2 3.62Å; L4-Y8 HydrophobicContact CD1-CE2 3.28Å; L4-Y8 HydrophobicContact CD2-CE2 3.99Å; L4-Y8 HydrophobicContact CG-CD2 3.72Å; L4-Y8 HydrophobicContact CG-CE2 3.49Å; L4-Y8 VanDerWaalsContact CG-CE2 3.49Å; L4-Y8 VanDerWaalsContact O-CD2 3.26Å; L4-Y8 WeakPolarHBondContact O-CD2 3.4Å; L4-Y8 PolarHBondContact O-N 2.88Å; K5-Y8 PolarHBondContact O-N 2.93Å; I6-Y8 VanDerWaalsContact C-N 3.34Å; I6-Y8 PolarHBondContact O-N 3.26Å; Y8-R11 PolarHBondContact O-N 2.95Å; Y8-F12 WeakPolarHBondContact O-CB 3.4Å; Y8-F12 PolarHBondContact O-N 2.84Å; Y8-L49 HydrophobicContact CD1-CD1 4.27Å; Y8-L49 HydrophobicContact CE1-CD1 4.14Å
9F91.9Very high85.8Confident121 Ų12187.4 Ų87.453%0.53141%0.412SS..Hα-helixtrans-62.2-46.7173.9171.2-100.9000111.3K5 I6 R11 F12 W13K5-F9 WeakPolarHBondContact O-CB 3.39Å; K5-F9 PolarHBondContact O-N 2.79Å; I6-F9 WeakPolarHBondContact O-CB 3.42Å; I6-F9 PolarHBondContact O-N 3.23Å; F9-R11 PolarHBondContact O-N 3.22Å; F9-F12 WeakPolarHBondContact O-CB 3.3Å; F9-F12 PolarHBondContact O-N 3.36Å; F9-F12 VanDerWaalsContact O-N 3.17Å; F9-W13 HydrophobicContact CE1-CE3 4.16Å; F9-W13 HydrophobicContact CZ-CE3 4.5Å; F9-W13 PolarHBondContact O-N 3.1Å
10M91.5Very high85.6Confident21 Ų2184.9 Ų84.910%0.10340%0.4CS..Hα-helixtrans-60.4-44.6176.1-72.7-57.8-65.200111.8I6 C7 F12 W13 I14 F21 T31 F34 I50I6-M10 WeakPolarHBondContact O-CG 3.44Å; I6-M10 PolarHBondContact O-N 2.92Å; C7-M10 PolarHBondContact O-N 3Å; M10-F12 VanDerWaalsContact C-N 3.32Å; M10-F12 PolarHBondContact O-N 2.84Å; M10-W13 HydrophobicContact CE-CE3 4.44Å; M10-W13 PolarHBondContact O-N 3.22Å; M10-W13 HydrophobicContact SD-CE3 4.03Å; M10-W13 HydrophobicContact SD-CZ3 4.44Å; M10-I14 WeakPolarHBondContact O-CB 3.32Å; M10-I14 VanDerWaalsContact O-CG1 3.3Å; M10-I14 WeakPolarHBondContact O-CG1 3.39Å; M10-I14 PolarHBondContact O-N 2.91Å; M10-F21 HydrophobicContact CE-CE1 4.27Å; M10-F21 HydrophobicContact CE-CZ 4.47Å; M10-T31 HydrophobicContact CE-CG2 4.42Å; M10-F34 HydrophobicContact CG-CD1 4.31Å; M10-F34 HydrophobicContact CG-CE1 3.83Å; M10-I50 HydrophobicContact CB-CG1 4.22Å; M10-I50 HydrophobicContact CB-CG2 4.43Å
11R90.6Very high85.6Confident120 Ų12081 Ų8145%0.45338%0.382SS..Hα-helixtrans-57.7-45.6173.6-179.6176.4169.187.1-0.3112C7 Y8 F9 W13 I14 V15 L49C7-R11 PolarHBondContact O-N 2.81Å; Y8-R11 PolarHBondContact O-N 2.95Å; F9-R11 PolarHBondContact O-N 3.22Å; R11-W13 VanDerWaalsContact C-N 3.32Å; R11-W13 PolarHBondContact O-N 3.34Å; R11-I14 PolarHBondContact O-N 3.39Å; R11-V15 HydrophobicContact CG-CG2 4.23Å; R11-V15 WeakPolarHBondContact O-CB 3.47Å; R11-V15 VanDerWaalsContact O-CG2 3.26Å; R11-V15 WeakPolarHBondContact O-CG2 3.37Å; R11-V15 PolarHBondContact O-N 3Å; R11-L49 HydrophobicContact CB-CB 4.13Å; R11-L49 WeakPolarHBondContact CB-O 3.31Å
12F92.1Very high86.3Confident129 Ų12974.1 Ų74.157%0.56635%0.349SS*.Hα-helixtrans-60-44.3177.8175.5-95.4000111.1Y8 F9 M10 T16Y8-F12 WeakPolarHBondContact O-CB 3.4Å; Y8-F12 PolarHBondContact O-N 2.84Å; F9-F12 WeakPolarHBondContact O-CB 3.3Å; F9-F12 PolarHBondContact O-N 3.36Å; F9-F12 VanDerWaalsContact O-N 3.17Å; M10-F12 VanDerWaalsContact C-N 3.32Å; M10-F12 PolarHBondContact O-N 2.84Å; F12-T16 HydrophobicContact CZ-CG2 4.5Å; F12-T16 WeakPolarHBondContact O-CB 3.33Å; F12-T16 PolarHBondContact O-N 2.88Å; F12-T16 PolarHBondContact O-OG1 3.04Å
13W91.9Very high86Confident93 Ų9371.8 Ų71.835%0.35233%0.332SS..Hα-helixtrans-62.5-48.9177.5-168.62.4000111.6F9 M10 R11 V15 T16 F17 F21 L27F9-W13 HydrophobicContact CE1-CE3 4.16Å; F9-W13 HydrophobicContact CZ-CE3 4.5Å; F9-W13 PolarHBondContact O-N 3.1Å; M10-W13 HydrophobicContact CE-CE3 4.44Å; M10-W13 PolarHBondContact O-N 3.22Å; M10-W13 HydrophobicContact SD-CE3 4.03Å; M10-W13 HydrophobicContact SD-CZ3 4.44Å; R11-W13 VanDerWaalsContact C-N 3.32Å; R11-W13 PolarHBondContact O-N 3.34Å; W13-V15 PolarHBondContact O-N 3.29Å; W13-T16 PolarHBondContact O-N 3.42Å; W13-F17 AromaticContact CD1-CD2 3.77Å; W13-F17 PolarHBondContact O-N 3.47Å; W13-F21 HydrophobicContact CB-CE2 4.27Å; W13-F21 HydrophobicContact CB-CZ 4.27Å; W13-F21 AromaticContact CD1-CE2 3.58Å; W13-F21 AromaticContact CD2-CE2 3.96Å; W13-F21 HydrophobicContact CD2-CE2 3.96Å; W13-F21 AromaticContact CD2-CZ 3.62Å; W13-F21 HydrophobicContact CD2-CZ 3.62Å; W13-F21 AromaticContact CE2-CZ 3.91Å; W13-F21 AromaticContact CE3-CZ 3.96Å; W13-F21 HydrophobicContact CE3-CZ 3.96Å; W13-F21 AromaticContact CG-CE2 3.7Å; W13-F21 HydrophobicContact CG-CE2 3.7Å; W13-F21 AromaticContact CG-CZ 3.75Å; W13-F21 HydrophobicContact CG-CZ 3.75Å; W13-F21 HydrophobicContact CZ2-CZ 4.49Å; W13-F21 AromaticContact NE1-CE2 3.78Å; W13-L27 HydrophobicContact CH2-CD1 4.32Å
14I89.7Confident86Confident11 Ų1168.4 Ų68.46%0.05633%0.325CS..Hα-helixtrans-58.9-46.4178.5-69.7163.9000111.5M10 R11 P18 F21 T31 I50 I52 I55M10-I14 WeakPolarHBondContact O-CB 3.32Å; M10-I14 VanDerWaalsContact O-CG1 3.3Å; M10-I14 WeakPolarHBondContact O-CG1 3.39Å; M10-I14 PolarHBondContact O-N 2.91Å; R11-I14 PolarHBondContact O-N 3.39Å; I14-P18 WeakPolarHBondContact O-CA 3.2Å; I14-P18 WeakPolarHBondContact O-CB 3.44Å; I14-P18 WeakPolarHBondContact O-CD 3.37Å; I14-P18 VanDerWaalsContact O-N 3.16Å; I14-F21 HydrophobicContact CB-CD2 4.41Å; I14-F21 HydrophobicContact CB-CE2 4.37Å; I14-F21 HydrophobicContact CG1-CD1 3.98Å; I14-F21 HydrophobicContact CG1-CD2 4.01Å; I14-F21 HydrophobicContact CG1-CE1 3.8Å; I14-F21 HydrophobicContact CG1-CE2 3.84Å; I14-F21 HydrophobicContact CG1-CG 4.09Å; I14-F21 HydrophobicContact CG1-CZ 3.72Å; I14-T31 HydrophobicContact CD1-CG2 4.35Å; I14-I50 HydrophobicContact CD1-CG2 4.08Å; I14-I52 HydrophobicContact CD1-CG2 3.83Å; I14-I52 HydrophobicContact CG1-CG2 4.12Å; I14-I52 HydrophobicContact CG2-CG2 4.33Å; I14-I55 HydrophobicContact CG2-CD1 3.78Å; I14-I55 HydrophobicContact CG2-CG1 4.27Å
15V87.7Confident86.1Confident97 Ų9772.5 Ų72.559%0.58835%0.347SS*.Hα-helixtrans-71.8-35.2-177.6171.80000112R11 W13 P18R11-V15 HydrophobicContact CG-CG2 4.23Å; R11-V15 WeakPolarHBondContact O-CB 3.47Å; R11-V15 VanDerWaalsContact O-CG2 3.26Å; R11-V15 WeakPolarHBondContact O-CG2 3.37Å; R11-V15 PolarHBondContact O-N 3Å; W13-V15 PolarHBondContact O-N 3.29Å; V15-P18 WeakPolarHBondContact O-CD 3.22Å
16T86.3Confident86.1Confident64 Ų6467.7 Ų67.739%0.39334%0.336SS..Hα-helixtrans-81.3-35.9-176.9-50.90000111.8F12 W13 P18F12-T16 HydrophobicContact CZ-CG2 4.5Å; F12-T16 WeakPolarHBondContact O-CB 3.33Å; F12-T16 PolarHBondContact O-N 2.88Å; F12-T16 PolarHBondContact O-OG1 3.04Å; W13-T16 PolarHBondContact O-N 3.42Å; T16-P18 WeakPolarHBondContact O-CD 3.17Å
17F85.4Confident86.2Confident108 Ų10865.3 Ų65.347%0.47432%0.324SS..  trans-127.954.5-176.9-55.2-79.8000112.9W13 A19 E20 F21W13-F17 AromaticContact CD1-CD2 3.77Å; W13-F17 PolarHBondContact O-N 3.47Å; F17-A19 PolarHBondContact O-N 2.89Å; F17-A19 VanDerWaalsContact O-N 3.14Å; F17-E20 HydrophobicContact CB-CG 4.26Å; F17-E20 PolarHBondContact O-N 2.86Å; F17-F21 WeakPolarHBondContact O-CD2 3.49Å
18P84Confident86.3Confident22 Ų2267 Ų6714%0.14333%0.331CS..THydrogen-bonded Turntrans-63.5-23.3-174.526.7-38.3000114I14 V15 T16 E20 F21 N22 I55 Y58I14-P18 WeakPolarHBondContact O-CA 3.2Å; I14-P18 WeakPolarHBondContact O-CB 3.44Å; I14-P18 WeakPolarHBondContact O-CD 3.37Å; I14-P18 VanDerWaalsContact O-N 3.16Å; V15-P18 WeakPolarHBondContact O-CD 3.22Å; T16-P18 WeakPolarHBondContact O-CD 3.17Å; P18-E20 VanDerWaalsContact C-N 3.33Å; P18-E20 PolarHBondContact O-N 3.08Å; P18-F21 PolarHBondContact O-N 3.12Å; P18-N22 PolarHBondContact O-N 3.38Å; P18-I55 HydrophobicContact CB-CD1 4.5Å; P18-I55 HydrophobicContact CB-CG2 3.98Å; P18-Y58 HydrophobicContact CB-CE2 3.66Å; P18-Y58 HydrophobicContact CG-CE1 4.35Å; P18-Y58 HydrophobicContact CG-CE2 3.74Å; P18-Y58 VanDerWaalsContact CG-CZ 3.44Å; P18-Y58 WeakPolarHBondContact CG-OH 3.42Å
19A77.6Confident86.3Confident20 Ų2066.5 Ų66.517%0.16533%0.333CS..THydrogen-bonded Turntrans-62.2-39.3177.700000112.3F17 F21 N22 L23 Y58F17-A19 PolarHBondContact O-N 2.89Å; F17-A19 VanDerWaalsContact O-N 3.14Å; A19-F21 PolarHBondContact O-N 3.28Å; A19-N22 PolarHBondContact O-N 3.37Å; A19-N22 VanDerWaalsContact O-N 3.12Å; A19-L23 HydrophobicContact CB-CD1 4.43Å; A19-L23 VanDerWaalsContact O-CD1 3.29Å; A19-L23 WeakPolarHBondContact O-CD1 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.34Å; A19-L23 PolarHBondContact O-N 3.26Å; A19-Y58 HydrophobicContact CB-CD1 3.52Å; A19-Y58 HydrophobicContact CB-CD2 4.35Å; A19-Y58 HydrophobicContact CB-CE1 3.95Å; A19-Y58 HydrophobicContact CB-CG 3.76Å
20E81.9Confident86.4Confident37 Ų3765.7 Ų65.717%0.17333%0.334CS..Hα-helixtrans-65.5-41.5-178.7-55.9-55.7145.700110.8F17 P18 N22 L23 D24 L27 T106F17-E20 HydrophobicContact CB-CG 4.26Å; F17-E20 PolarHBondContact O-N 2.86Å; P18-E20 VanDerWaalsContact C-N 3.33Å; P18-E20 PolarHBondContact O-N 3.08Å; E20-N22 PolarHBondContact O-N 2.98Å; E20-N22 VanDerWaalsContact O-N 3.14Å; E20-L23 PolarHBondContact O-N 3.37Å; E20-D24 PolarHBondContact O-N 2.81Å; E20-D24 VanDerWaalsContact O-N 3.14Å; E20-L27 HydrophobicContact CB-CD2 4.18Å; E20-T106 WeakPolarHBondContact OE2-CG2 3.45Å
21F85.1Confident86.4Confident4 Ų464.8 Ų64.82%0.01833%0.329CS..Hα-helixtrans-73.23175.5-66.6-86.8000114.3M10 W13 I14 F17 P18 A19 L27 I28 T31 I52 I55M10-F21 HydrophobicContact CE-CE1 4.27Å; M10-F21 HydrophobicContact CE-CZ 4.47Å; W13-F21 HydrophobicContact CB-CE2 4.27Å; W13-F21 HydrophobicContact CB-CZ 4.27Å; W13-F21 AromaticContact CD1-CE2 3.58Å; W13-F21 AromaticContact CD2-CE2 3.96Å; W13-F21 HydrophobicContact CD2-CE2 3.96Å; W13-F21 AromaticContact CD2-CZ 3.62Å; W13-F21 HydrophobicContact CD2-CZ 3.62Å; W13-F21 AromaticContact CE2-CZ 3.91Å; W13-F21 AromaticContact CE3-CZ 3.96Å; W13-F21 HydrophobicContact CE3-CZ 3.96Å; W13-F21 AromaticContact CG-CE2 3.7Å; W13-F21 HydrophobicContact CG-CE2 3.7Å; W13-F21 AromaticContact CG-CZ 3.75Å; W13-F21 HydrophobicContact CG-CZ 3.75Å; W13-F21 HydrophobicContact CZ2-CZ 4.49Å; W13-F21 AromaticContact NE1-CE2 3.78Å; I14-F21 HydrophobicContact CB-CD2 4.41Å; I14-F21 HydrophobicContact CB-CE2 4.37Å; I14-F21 HydrophobicContact CG1-CD1 3.98Å; I14-F21 HydrophobicContact CG1-CD2 4.01Å; I14-F21 HydrophobicContact CG1-CE1 3.8Å; I14-F21 HydrophobicContact CG1-CE2 3.84Å; I14-F21 HydrophobicContact CG1-CG 4.09Å; I14-F21 HydrophobicContact CG1-CZ 3.72Å; F17-F21 WeakPolarHBondContact O-CD2 3.49Å; P18-F21 PolarHBondContact O-N 3.12Å; A19-F21 PolarHBondContact O-N 3.28Å; F21-L27 HydrophobicContact CD1-CD1 4.43Å; F21-L27 HydrophobicContact CD1-CD2 3.82Å; F21-L27 HydrophobicContact CD1-CG 3.82Å; F21-L27 HydrophobicContact CD2-CD2 4.34Å; F21-L27 HydrophobicContact CE1-CD1 3.92Å; F21-L27 HydrophobicContact CE1-CD2 3.83Å; F21-L27 HydrophobicContact CE1-CG 3.81Å; F21-L27 HydrophobicContact CE2-CD2 4.34Å; F21-L27 HydrophobicContact CG-CD2 4.09Å; F21-L27 HydrophobicContact CZ-CD1 4.48Å; F21-L27 HydrophobicContact CZ-CD2 4.09Å; F21-L27 HydrophobicContact CZ-CG 4.5Å; F21-I28 WeakPolarHBondContact O-CG1 3.49Å; F21-T31 HydrophobicContact CD1-CG2 4.27Å; F21-T31 HydrophobicContact CE1-CG2 4.23Å; F21-T31 WeakPolarHBondContact CE1-OG1 3.43Å; F21-I52 HydrophobicContact CB-CG2 4.33Å; F21-I52 HydrophobicContact CD1-CG2 4.19Å; F21-I55 HydrophobicContact CB-CD1 3.58Å; F21-I55 HydrophobicContact CG-CD1 4.5Å
22N80.4Confident86.4Confident42 Ų4262 Ų6223%0.22532%0.322CS..Hα-helixtrans-112.2-18.6172.6-174.6-117.5000113.4P18 A19 E20 I55 S57 Y58P18-N22 PolarHBondContact O-N 3.38Å; A19-N22 PolarHBondContact O-N 3.37Å; A19-N22 VanDerWaalsContact O-N 3.12Å; E20-N22 PolarHBondContact O-N 2.98Å; E20-N22 VanDerWaalsContact O-N 3.14Å; N22-I55 HydrophobicContact CB-CG2 4.23Å; N22-S57 WeakPolarHBondContact OD1-CA 3.38Å; N22-Y58 HydrophobicContact CB-CD2 4.32Å; N22-Y58 PolarHBondContact OD1-N 3.45Å
23L74.6Confident86.3Confident58 Ų5860.5 Ų60.530%0.30432%0.316SS..Hα-helixtrans-113.8-33.4-168.3-59.9167.2000113.2A19 E20 L25 R62A19-L23 HydrophobicContact CB-CD1 4.43Å; A19-L23 VanDerWaalsContact O-CD1 3.29Å; A19-L23 WeakPolarHBondContact O-CD1 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.34Å; A19-L23 PolarHBondContact O-N 3.26Å; E20-L23 PolarHBondContact O-N 3.37Å; L23-L25 PolarHBondContact O-N 3.16Å; L23-R62 VanDerWaalsContact CD1-CZ 3.45Å
24D80.8Confident86.2Confident81 Ų8159.5 Ų59.543%0.43332%0.315SS..  trans-86.7103175.5-174.6-22.5000109.4E20 G26 L27 I28E20-D24 PolarHBondContact O-N 2.81Å; E20-D24 VanDerWaalsContact O-N 3.14Å; D24-G26 PolarHBondContact O-N 3.46Å; D24-G26 WeakPolarHBondContact OD1-CA 3.43Å; D24-G26 PolarHBondContact OD1-N 2.69Å; D24-L27 HydrophobicContact CB-CB 3.79Å; D24-L27 PolarHBondContact O-N 3.45Å; D24-L27 PolarHBondContact OD1-N 3.32Å; D24-I28 VanDerWaalsContact O-CG1 3.29Å; D24-I28 WeakPolarHBondContact O-CG1 3.38Å; D24-I28 PolarHBondContact O-N 2.91Å
25L83.9Confident86.2Confident141 Ų14162.1 Ų62.174%0.73832%0.324SS*.Hα-helixtrans-59.1-32.9177.9-66175.6000112.4L23 I28 Q29L23-L25 PolarHBondContact O-N 3.16Å; L25-I28 HydrophobicContact CD2-CD1 4.43Å; L25-Q29 WeakPolarHBondContact O-CB 3.22Å; L25-Q29 PolarHBondContact O-N 3.42Å
26G88.1Confident86.2Confident34 Ų3462.9 Ų62.935%0.35132%0.321SS..Hα-helixtrans-70-44.9177.100000111.4D24 I28 Q29 I30D24-G26 PolarHBondContact O-N 3.46Å; D24-G26 WeakPolarHBondContact OD1-CA 3.43Å; D24-G26 PolarHBondContact OD1-N 2.69Å; G26-I28 VanDerWaalsContact C-N 3.33Å; G26-I28 PolarHBondContact O-N 3.37Å; G26-Q29 PolarHBondContact O-N 3.11Å; G26-I30 VanDerWaalsContact O-CG1 3.31Å; G26-I30 WeakPolarHBondContact O-CG1 3.19Å; G26-I30 PolarHBondContact O-N 3.15Å
27L90.2Very high86.3Confident29 Ų2963.2 Ų63.215%0.15232%0.323CS..Hα-helixtrans-63-39.9175.2-176.760.1000111.8W13 E20 F21 D24 T31W13-L27 HydrophobicContact CH2-CD1 4.32Å; E20-L27 HydrophobicContact CB-CD2 4.18Å; F21-L27 HydrophobicContact CD1-CD1 4.43Å; F21-L27 HydrophobicContact CD1-CD2 3.82Å; F21-L27 HydrophobicContact CD1-CG 3.82Å; F21-L27 HydrophobicContact CD2-CD2 4.34Å; F21-L27 HydrophobicContact CE1-CD1 3.92Å; F21-L27 HydrophobicContact CE1-CD2 3.83Å; F21-L27 HydrophobicContact CE1-CG 3.81Å; F21-L27 HydrophobicContact CE2-CD2 4.34Å; F21-L27 HydrophobicContact CG-CD2 4.09Å; F21-L27 HydrophobicContact CZ-CD1 4.48Å; F21-L27 HydrophobicContact CZ-CD2 4.09Å; F21-L27 HydrophobicContact CZ-CG 4.5Å; D24-L27 HydrophobicContact CB-CB 3.79Å; D24-L27 PolarHBondContact O-N 3.45Å; D24-L27 PolarHBondContact OD1-N 3.32Å; L27-T31 VanDerWaalsContact O-CB 3.25Å; L27-T31 WeakPolarHBondContact O-CB 3.46Å; L27-T31 PolarHBondContact O-N 2.87Å; L27-T31 PolarHBondContact O-OG1 2.91Å
28I88.1Confident86.3Confident44 Ų4458.7 Ų58.723%0.22631%0.305CS..Hα-helixtrans-57.8-52.5174.5-71.2164000110.2F21 D24 L25 G26 I30 T31 E32 I52F21-I28 WeakPolarHBondContact O-CG1 3.49Å; D24-I28 VanDerWaalsContact O-CG1 3.29Å; D24-I28 WeakPolarHBondContact O-CG1 3.38Å; D24-I28 PolarHBondContact O-N 2.91Å; L25-I28 HydrophobicContact CD2-CD1 4.43Å; G26-I28 VanDerWaalsContact C-N 3.33Å; G26-I28 PolarHBondContact O-N 3.37Å; I28-I30 PolarHBondContact O-N 2.87Å; I28-T31 PolarHBondContact O-N 3.31Å; I28-E32 PolarHBondContact O-N 3.27Å; I28-I52 HydrophobicContact CB-CD1 4.44Å; I28-I52 HydrophobicContact CG1-CD1 4.48Å; I28-I52 HydrophobicContact CG2-CD1 3.98Å
29Q90.5Very high86.3Confident120 Ų12059.7 Ų59.756%0.56132%0.316SS*.Hα-helixtrans-59.8-48.6-179-176.1-178.2-13.400111.6L25 G26 T31 E32 E33L25-Q29 WeakPolarHBondContact O-CB 3.22Å; L25-Q29 PolarHBondContact O-N 3.42Å; G26-Q29 PolarHBondContact O-N 3.11Å; Q29-T31 VanDerWaalsContact C-N 3.27Å; Q29-T31 PolarHBondContact O-N 3.19Å; Q29-E32 PolarHBondContact O-N 3.11Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.35Å; Q29-E33 PolarHBondContact NE2-OE1 3.46Å; Q29-E33 WeakPolarHBondContact O-CG 3.09Å; Q29-E33 PolarHBondContact O-N 3.2Å
30I93.3Very high86.6Confident105 Ų10566.1 Ų66.154%0.53834%0.342SS..Hα-helixtrans-62.7-36.5179.5-68.1167.9000111.2G26 I28 F34G26-I30 VanDerWaalsContact O-CG1 3.31Å; G26-I30 WeakPolarHBondContact O-CG1 3.19Å; G26-I30 PolarHBondContact O-N 3.15Å; I28-I30 PolarHBondContact O-N 2.87Å; I30-F34 VanDerWaalsContact O-CB 3.23Å; I30-F34 WeakPolarHBondContact O-CB 3.47Å; I30-F34 PolarHBondContact O-N 3.48Å
31T91.8Very high86.6Confident2 Ų269 Ų691%0.01236%0.358CS..Hα-helixtrans-68.6-39.8179.3-57.70000111.5M10 I14 F21 L27 I28 Q29 F34 R35 I50 I52M10-T31 HydrophobicContact CE-CG2 4.42Å; I14-T31 HydrophobicContact CD1-CG2 4.35Å; F21-T31 HydrophobicContact CD1-CG2 4.27Å; F21-T31 HydrophobicContact CE1-CG2 4.23Å; F21-T31 WeakPolarHBondContact CE1-OG1 3.43Å; L27-T31 VanDerWaalsContact O-CB 3.25Å; L27-T31 WeakPolarHBondContact O-CB 3.46Å; L27-T31 PolarHBondContact O-N 2.87Å; L27-T31 PolarHBondContact O-OG1 2.91Å; I28-T31 PolarHBondContact O-N 3.31Å; Q29-T31 VanDerWaalsContact C-N 3.27Å; Q29-T31 PolarHBondContact O-N 3.19Å; T31-F34 PolarHBondContact O-N 3.36Å; T31-R35 WeakPolarHBondContact O-CB 3.2Å; T31-R35 PolarHBondContact O-N 2.81Å; T31-I50 HydrophobicContact CG2-CG2 3.74Å; T31-I52 HydrophobicContact CG2-CD1 4.34Å; T31-I52 HydrophobicContact CG2-CG2 3.75Å
32E90.1Very high85.7Confident62 Ų6272 Ų7229%0.2939%0.39SS..Hα-helixtrans-68.1-44.5174.5-70.7-61.7168.500112I28 Q29 F34 R35 E36 I52I28-E32 PolarHBondContact O-N 3.27Å; Q29-E32 PolarHBondContact O-N 3.11Å; E32-F34 VanDerWaalsContact C-N 3.28Å; E32-F34 PolarHBondContact O-N 2.78Å; E32-R35 WeakPolarHBondContact O-CB 3.39Å; E32-R35 PolarHBondContact O-N 3.44Å; E32-R35 VanDerWaalsContact O-N 3.1Å; E32-E36 WeakPolarHBondContact O-CG 3.36Å; E32-E36 PolarHBondContact O-N 3.11Å; E32-I52 HydrophobicContact CG-CD1 4.08Å; E32-I52 WeakPolarHBondContact OE1-CD1 3.2Å; E32-I52 WeakPolarHBondContact OE1-CG1 3.3Å
33E91Very high84.8Confident96 Ų9671.7 Ų71.745%0.44939%0.391SS..Hα-helixtrans-57.6-43.3173.3-72.5176.2-164.900111Q29 R35 E36 V37Q29-E33 WeakPolarHBondContact CG-OE1 3.35Å; Q29-E33 PolarHBondContact NE2-OE1 3.46Å; Q29-E33 WeakPolarHBondContact O-CG 3.09Å; Q29-E33 PolarHBondContact O-N 3.2Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 PolarHBondContact O-N 2.81Å; E33-E36 PolarHBondContact O-N 3.48Å; E33-V37 WeakPolarHBondContact O-CG2 3.34Å; E33-V37 PolarHBondContact O-N 3.29Å
34F90.1Very high84.2Confident73 Ų7376.6 Ų76.632%0.3241%0.412SS..Hα-helixtrans-64.3-38.2176.6-174.8-112.4000112.3I6 M10 I30 T31 E32 V37 A38 I50I6-F34 HydrophobicContact CG2-CE1 4.34Å; I6-F34 HydrophobicContact CG2-CZ 3.76Å; M10-F34 HydrophobicContact CG-CD1 4.31Å; M10-F34 HydrophobicContact CG-CE1 3.83Å; I30-F34 VanDerWaalsContact O-CB 3.23Å; I30-F34 WeakPolarHBondContact O-CB 3.47Å; I30-F34 PolarHBondContact O-N 3.48Å; T31-F34 PolarHBondContact O-N 3.36Å; E32-F34 VanDerWaalsContact C-N 3.28Å; E32-F34 PolarHBondContact O-N 2.78Å; F34-V37 PolarHBondContact O-N 3.13Å; F34-A38 WeakPolarHBondContact O-CB 3.37Å; F34-A38 PolarHBondContact O-N 3.36Å; F34-I50 HydrophobicContact CD1-CD1 3.73Å; F34-I50 HydrophobicContact CD1-CG2 4.24Å; F34-I50 HydrophobicContact CE1-CD1 3.53Å
35R89.3Confident83.7Confident65 Ų6578 Ų7825%0.24542%0.416CS..Hα-helixtrans-64.4-43.3175.2-175.9-175.1-178.3-86.81.5111.6T31 E32 E33 A38 A39 F47 I50T31-R35 WeakPolarHBondContact O-CB 3.2Å; T31-R35 PolarHBondContact O-N 2.81Å; E32-R35 WeakPolarHBondContact O-CB 3.39Å; E32-R35 PolarHBondContact O-N 3.44Å; E32-R35 VanDerWaalsContact O-N 3.1Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 PolarHBondContact O-N 2.81Å; R35-A38 PolarHBondContact O-N 3.1Å; R35-A39 PolarHBondContact O-N 3.25Å; R35-F47 HydrophobicContact CG-CB 4.38Å; R35-I50 HydrophobicContact CB-CG2 4.46Å; R35-I50 WeakPolarHBondContact CD-O 3.38Å
36E88.3Confident83.4Confident113 Ų11373.3 Ų73.353%0.52839%0.39SS..Hα-helixtrans-62.3-46.4176-72.4-177.618000111.6E32 E33 A38 A39 Q40E32-E36 WeakPolarHBondContact O-CG 3.36Å; E32-E36 PolarHBondContact O-N 3.11Å; E33-E36 PolarHBondContact O-N 3.48Å; E36-A38 VanDerWaalsContact C-N 3.31Å; E36-A38 PolarHBondContact O-N 2.93Å; E36-A39 WeakPolarHBondContact O-CB 3.3Å; E36-A39 PolarHBondContact O-N 2.89Å; E36-Q40 WeakPolarHBondContact O-CG 3.49Å; E36-Q40 PolarHBondContact O-N 2.75Å
37V88.3Confident82.9Confident72 Ų7273.7 Ų73.744%0.43638%0.382SS..Hα-helixtrans-60.8-42.1175.4172.50000110.8E33 F34 A39 Q40 L41E33-V37 WeakPolarHBondContact O-CG2 3.34Å; E33-V37 PolarHBondContact O-N 3.29Å; F34-V37 PolarHBondContact O-N 3.13Å; V37-A39 VanDerWaalsContact C-N 3.31Å; V37-A39 PolarHBondContact O-N 3.32Å; V37-Q40 PolarHBondContact O-N 2.82Å; V37-L41 HydrophobicContact CG1-CD1 3.88Å; V37-L41 HydrophobicContact CG1-CG 4.48Å; V37-L41 VanDerWaalsContact O-CG 3.26Å; V37-L41 WeakPolarHBondContact O-CG 3.45Å; V37-L41 PolarHBondContact O-N 3.32Å; V37-L41 VanDerWaalsContact O-N 3.12Å
38A85.6Confident82.6Confident13 Ų1377.8 Ų77.811%0.10740%0.399CS..Hα-helixtrans-63-37.2176.600000112.5F34 R35 E36 F47 I50F34-A38 WeakPolarHBondContact O-CB 3.37Å; F34-A38 PolarHBondContact O-N 3.36Å; R35-A38 PolarHBondContact O-N 3.1Å; E36-A38 VanDerWaalsContact C-N 3.31Å; E36-A38 PolarHBondContact O-N 2.93Å; A38-F47 HydrophobicContact CB-CB 4.08Å; A38-I50 HydrophobicContact CB-CD1 4.16Å
39A84.4Confident82.4Confident43 Ų4377.4 Ų77.436%0.35540%0.397SS..Hα-helixtrans-68.3-43.7175.900000112R35 E36 V37 L41 G42 F47R35-A39 PolarHBondContact O-N 3.25Å; E36-A39 WeakPolarHBondContact O-CB 3.3Å; E36-A39 PolarHBondContact O-N 2.89Å; V37-A39 VanDerWaalsContact C-N 3.31Å; V37-A39 PolarHBondContact O-N 3.32Å; A39-L41 VanDerWaalsContact C-N 3.26Å; A39-L41 PolarHBondContact O-N 2.74Å; A39-G42 PolarHBondContact O-N 3.28Å; A39-F47 HydrophobicContact CB-CB 4.22Å; A39-F47 HydrophobicContact CB-CD1 4.26Å; A39-F47 HydrophobicContact CB-CD2 4.36Å; A39-F47 HydrophobicContact CB-CG 4.02Å
40Q83.8Confident82.2Confident155 Ų15571.7 Ų71.772%0.72437%0.37SS*.Hα-helixtrans-63.7-31.1178.5-71.2173.415.400112.9E36 V37 G42E36-Q40 WeakPolarHBondContact O-CG 3.49Å; E36-Q40 PolarHBondContact O-N 2.75Å; V37-Q40 PolarHBondContact O-N 2.82Å; Q40-G42 PolarHBondContact O-N 3.2Å
41L81.4Confident81.7Confident98 Ų9869.4 Ų69.451%0.51336%0.359SS..THydrogen-bonded Turntrans-78.65.8179.4-68.5171.5000114V37 A39 C43V37-L41 HydrophobicContact CG1-CD1 3.88Å; V37-L41 HydrophobicContact CG1-CG 4.48Å; V37-L41 VanDerWaalsContact O-CG 3.26Å; V37-L41 WeakPolarHBondContact O-CG 3.45Å; V37-L41 PolarHBondContact O-N 3.32Å; V37-L41 VanDerWaalsContact O-N 3.12Å; A39-L41 VanDerWaalsContact C-N 3.26Å; A39-L41 PolarHBondContact O-N 2.74Å; L41-C43 PolarHBondContact O-N 3.45Å; L41-C43 VanDerWaalsContact O-N 3.14Å
42G66.5Low81.5Confident67 Ų6770.1 Ų70.169%0.69136%0.363SS*.THydrogen-bonded Turntrans63.422.4168.200000115.2A39 Q40 E44A39-G42 PolarHBondContact O-N 3.28Å; Q40-G42 PolarHBondContact O-N 3.2Å; G42-E44 PolarHBondContact O-N 3.5Å
43C60.2Low81.1Confident34 Ų3471.6 Ų71.623%0.2338%0.38CS..  trans-84.392.1-176.4-72.20000111L41 E45 H46L41-C43 PolarHBondContact O-N 3.45Å; L41-C43 VanDerWaalsContact O-N 3.14Å; C43-E45 PolarHBondContact O-N 3.11Å; C43-H46 PolarHBondContact O-N 3.31Å
44E62.2Low80.5Confident161 Ų16171 Ų7175%0.75239%0.392SS*.THydrogen-bonded Turntrans34.760.7153.1-71.2-103155.900114.5G42 H46G42-E44 PolarHBondContact O-N 3.5Å; E44-H46 VanDerWaalsContact CB-CE1 3.49Å; E44-H46 WeakPolarHBondContact CB-CE1 3.41Å; E44-H46 PolarHBondContact O-CD2 3.49Å; E44-H46 PolarHBondContact O-N 2.82Å; E44-H46 PolarHBondContact O-NE2 3.47Å
45E70.4Confident80Confident112 Ų11268.7 Ų68.752%0.52338%0.382SS..THydrogen-bonded Turntrans54.17.1174.2-61.2-81.2103.100116.1C43 F47 K48C43-E45 PolarHBondContact O-N 3.11Å; E45-F47 VanDerWaalsContact C-N 3.25Å; E45-F47 PolarHBondContact O-N 3.46Å; E45-K48 HydrophobicContact CB-CD 4.36Å; E45-K48 VanDerWaalsContact O-CB 3.25Å; E45-K48 WeakPolarHBondContact O-CB 3.05Å; E45-K48 WeakPolarHBondContact O-CG 3.37Å; E45-K48 PolarHBondContact O-N 3.46Å; E45-K48 WeakPolarHBondContact OE2-CD 3.3Å; E45-K48 WeakPolarHBondContact OE2-CE 3.43Å; E45-K48 IonicContact OE2-NZ 2.55Å; E45-K48 PolarHBondContact OE2-NZ 3.04Å
46H77.1Confident79.1Confident41 Ų4168.2 Ų68.219%0.1939%0.388CS..G310 helixtrans-72.2-20.8-169.1-64144.1000112.5L4 C7 C43 E44 K48 L49L4-H46 VanDerWaalsContact CD1-CD2 3.48Å; L4-H46 WeakPolarHBondContact CD1-CD2 3.47Å; L4-H46 VanDerWaalsContact CD1-NE2 3.29Å; L4-H46 WeakPolarHBondContact CD1-NE2 3.14Å; C7-H46 HydrophobicContact CB-CB 4.26Å; C43-H46 PolarHBondContact O-N 3.31Å; E44-H46 VanDerWaalsContact CB-CE1 3.49Å; E44-H46 WeakPolarHBondContact CB-CE1 3.41Å; E44-H46 PolarHBondContact O-CD2 3.49Å; E44-H46 PolarHBondContact O-N 2.82Å; E44-H46 PolarHBondContact O-NE2 3.47Å; H46-K48 PolarHBondContact O-N 2.78Å; H46-L49 HydrophobicContact CB-CD1 4.46Å; H46-L49 VanDerWaalsContact O-CB 3.23Å; H46-L49 WeakPolarHBondContact O-CB 3.21Å; H46-L49 WeakPolarHBondContact O-CG 3.38Å; H46-L49 PolarHBondContact O-N 2.99Å
47F79.4Confident78Confident42 Ų4265 Ų6518%0.18438%0.378CS..G310 helixtrans-59.9-24.7172.271.1-88.5000112R35 A38 A39 E45 L49 I50R35-F47 HydrophobicContact CG-CB 4.38Å; A38-F47 HydrophobicContact CB-CB 4.08Å; A39-F47 HydrophobicContact CB-CB 4.22Å; A39-F47 HydrophobicContact CB-CD1 4.26Å; A39-F47 HydrophobicContact CB-CD2 4.36Å; A39-F47 HydrophobicContact CB-CG 4.02Å; E45-F47 VanDerWaalsContact C-N 3.25Å; E45-F47 PolarHBondContact O-N 3.46Å; F47-L49 PolarHBondContact O-N 2.78Å; F47-I50 PolarHBondContact O-N 2.69Å; F47-I50 VanDerWaalsContact O-N 3.09Å
48K83.4Confident76.7Confident116 Ų11664.2 Ų64.250%0.50437%0.367SS..G310 helixtrans-64.9-21.4173-64.4-177.6167.9-178.70113.1E45 H46 I50E45-K48 HydrophobicContact CB-CD 4.36Å; E45-K48 VanDerWaalsContact O-CB 3.25Å; E45-K48 WeakPolarHBondContact O-CB 3.05Å; E45-K48 WeakPolarHBondContact O-CG 3.37Å; E45-K48 PolarHBondContact O-N 3.46Å; E45-K48 WeakPolarHBondContact OE2-CD 3.3Å; E45-K48 WeakPolarHBondContact OE2-CE 3.43Å; E45-K48 IonicContact OE2-NZ 2.55Å; E45-K48 PolarHBondContact OE2-NZ 3.04Å; H46-K48 PolarHBondContact O-N 2.78Å; K48-I50 PolarHBondContact O-N 2.81Å
49L83.8Confident75Confident35 Ų3567 Ų6718%0.18338%0.38CS..G310 helixtrans-74-16.8175.9-56175.4000112C7 Y8 R11 H46 F47C7-L49 HydrophobicContact CB-CD1 4.19Å; Y8-L49 HydrophobicContact CD1-CD1 4.27Å; Y8-L49 HydrophobicContact CE1-CD1 4.14Å; R11-L49 HydrophobicContact CB-CB 4.13Å; R11-L49 WeakPolarHBondContact CB-O 3.31Å; H46-L49 HydrophobicContact CB-CD1 4.46Å; H46-L49 VanDerWaalsContact O-CB 3.23Å; H46-L49 WeakPolarHBondContact O-CB 3.21Å; H46-L49 WeakPolarHBondContact O-CG 3.38Å; H46-L49 PolarHBondContact O-N 2.99Å; F47-L49 PolarHBondContact O-N 2.78Å
50I85.1Confident73Confident0 Ų070.6 Ų70.60%039%0.385CS..G310 helixtrans-107.934.9-177.3-42.1164.2000109.1M10 I14 T31 F34 R35 A38 F47 K48M10-I50 HydrophobicContact CB-CG1 4.22Å; M10-I50 HydrophobicContact CB-CG2 4.43Å; I14-I50 HydrophobicContact CD1-CG2 4.08Å; T31-I50 HydrophobicContact CG2-CG2 3.74Å; F34-I50 HydrophobicContact CD1-CD1 3.73Å; F34-I50 HydrophobicContact CD1-CG2 4.24Å; F34-I50 HydrophobicContact CE1-CD1 3.53Å; R35-I50 HydrophobicContact CB-CG2 4.46Å; R35-I50 WeakPolarHBondContact CD-O 3.38Å; A38-I50 HydrophobicContact CB-CD1 4.16Å; F47-I50 PolarHBondContact O-N 2.69Å; F47-I50 VanDerWaalsContact O-N 3.09Å; K48-I50 PolarHBondContact O-N 2.81Å
51D83.8Confident71.1Confident58 Ų5866.2 Ų66.231%0.3137%0.365SS..  trans-90.7116.9178.7-174.59.9000110.3S53D51-S53 VanDerWaalsContact CG-OG 3.26Å; D51-S53 VanDerWaalsContact OD1-CB 3.25Å; D51-S53 WeakPolarHBondContact OD1-CB 3.49Å; D51-S53 PolarHBondContact OD1-N 3.11Å; D51-S53 PolarHBondContact OD1-OG 3.46Å; D51-S53 PolarHBondContact OD2-OG 3.13Å
52I86.6Confident69.7Low16 Ų1664.2 Ų64.28%0.08235%0.351CS..  trans-99.8-5.3176.661.2173.3000112.6I14 F21 I28 T31 E32 A54 I55I14-I52 HydrophobicContact CD1-CG2 3.83Å; I14-I52 HydrophobicContact CG1-CG2 4.12Å; I14-I52 HydrophobicContact CG2-CG2 4.33Å; F21-I52 HydrophobicContact CB-CG2 4.33Å; F21-I52 HydrophobicContact CD1-CG2 4.19Å; I28-I52 HydrophobicContact CB-CD1 4.44Å; I28-I52 HydrophobicContact CG1-CD1 4.48Å; I28-I52 HydrophobicContact CG2-CD1 3.98Å; T31-I52 HydrophobicContact CG2-CD1 4.34Å; T31-I52 HydrophobicContact CG2-CG2 3.75Å; E32-I52 HydrophobicContact CG-CD1 4.08Å; E32-I52 WeakPolarHBondContact OE1-CD1 3.2Å; E32-I52 WeakPolarHBondContact OE1-CG1 3.3Å; I52-A54 PolarHBondContact O-N 2.94Å; I52-I55 HydrophobicContact CB-CD1 3.73Å; I52-I55 HydrophobicContact CB-CG1 4.38Å; I52-I55 HydrophobicContact CG2-CD1 3.86Å; I52-I55 VanDerWaalsContact O-CB 3.31Å; I52-I55 WeakPolarHBondContact O-CB 3.39Å; I52-I55 WeakPolarHBondContact O-CG1 3.42Å; I52-I55 PolarHBondContact O-N 3.22Å; I52-I55 VanDerWaalsContact O-N 3.09Å
53S82.8Confident68.5Low94 Ų9467.2 Ų67.266%0.65735%0.345SS*.THydrogen-bonded Turntrans-66.1-26.8-179.470.20000113.3D51 I55D51-S53 VanDerWaalsContact CG-OG 3.26Å; D51-S53 VanDerWaalsContact OD1-CB 3.25Å; D51-S53 WeakPolarHBondContact OD1-CB 3.49Å; D51-S53 PolarHBondContact OD1-N 3.11Å; D51-S53 PolarHBondContact OD1-OG 3.46Å; D51-S53 PolarHBondContact OD2-OG 3.13Å; S53-I55 VanDerWaalsContact C-N 3.27Å; S53-I55 PolarHBondContact O-N 3.45Å
54A79Confident67.5Low83 Ų8369.7 Ų69.769%0.68636%0.355SS*.THydrogen-bonded Turntrans-79-7.6176.500000113.5I52 P56I52-A54 PolarHBondContact O-N 2.94Å; A54-P56 WeakPolarHBondContact O-CD 3.38Å
55I78.5Confident66.7Low24 Ų2463.8 Ų63.812%0.12333%0.33CS..SBendtrans-70.1121.5-179.4-61.8177000108.9I14 P18 F21 N22 I52 S53 S57 Y58I14-I55 HydrophobicContact CG2-CD1 3.78Å; I14-I55 HydrophobicContact CG2-CG1 4.27Å; P18-I55 HydrophobicContact CB-CD1 4.5Å; P18-I55 HydrophobicContact CB-CG2 3.98Å; F21-I55 HydrophobicContact CB-CD1 3.58Å; F21-I55 HydrophobicContact CG-CD1 4.5Å; N22-I55 HydrophobicContact CB-CG2 4.23Å; I52-I55 HydrophobicContact CB-CD1 3.73Å; I52-I55 HydrophobicContact CB-CG1 4.38Å; I52-I55 HydrophobicContact CG2-CD1 3.86Å; I52-I55 VanDerWaalsContact O-CB 3.31Å; I52-I55 WeakPolarHBondContact O-CB 3.39Å; I52-I55 WeakPolarHBondContact O-CG1 3.42Å; I52-I55 PolarHBondContact O-N 3.22Å; I52-I55 VanDerWaalsContact O-N 3.09Å; S53-I55 VanDerWaalsContact C-N 3.27Å; S53-I55 PolarHBondContact O-N 3.45Å; I55-S57 PolarHBondContact O-N 3.39Å; I55-Y58 HydrophobicContact CG2-CD2 4.06Å; I55-Y58 HydrophobicContact CG2-CE2 3.96Å
56P69.7Low65.1Low55 Ų5566.6 Ų66.636%0.35734%0.343SS..  trans-63139.3174.224.8-31.1000109.2A54 Y58 W60 M61A54-P56 WeakPolarHBondContact O-CD 3.38Å; P56-Y58 HydrophobicContact CG-CE2 4Å; P56-Y58 WeakPolarHBondContact O-CD2 3.44Å; P56-Y58 PolarHBondContact O-N 3.17Å; P56-W60 HydrophobicContact CB-CH2 4.31Å; P56-W60 HydrophobicContact CB-CZ2 3.42Å; P56-W60 VanDerWaalsContact CB-CZ2 3.42Å; P56-M61 HydrophobicContact CG-CE 4.28Å
57S65.4Low63.4Low46 Ų4673.2 Ų73.232%0.32237%0.367SS..  trans-57.7110.8174.4156.40000112.1N22 I55 D59 W60 M61N22-S57 WeakPolarHBondContact OD1-CA 3.38Å; I55-S57 PolarHBondContact O-N 3.39Å; S57-D59 PolarHBondContact O-N 2.85Å; S57-W60 VanDerWaalsContact C-CD1 3.5Å; S57-W60 VanDerWaalsContact O-CE2 3.26Å; S57-W60 PolarHBondContact O-N 2.96Å; S57-W60 VanDerWaalsContact O-N 3.14Å; S57-W60 PolarHBondContact O-NE1 3.13Å; S57-M61 PolarHBondContact O-N 3.08Å
58Y62.4Low61.4Low56 Ų5679.5 Ų79.522%0.2239%0.394CS..Hα-helixtrans-67.7-18179-86.9-100.5000111.7P18 A19 N22 I55 P56 W60 M61 R62P18-Y58 HydrophobicContact CB-CE2 3.66Å; P18-Y58 HydrophobicContact CG-CE1 4.35Å; P18-Y58 HydrophobicContact CG-CE2 3.74Å; P18-Y58 VanDerWaalsContact CG-CZ 3.44Å; P18-Y58 WeakPolarHBondContact CG-OH 3.42Å; A19-Y58 HydrophobicContact CB-CD1 3.52Å; A19-Y58 HydrophobicContact CB-CD2 4.35Å; A19-Y58 HydrophobicContact CB-CE1 3.95Å; A19-Y58 HydrophobicContact CB-CG 3.76Å; N22-Y58 HydrophobicContact CB-CD2 4.32Å; N22-Y58 PolarHBondContact OD1-N 3.45Å; I55-Y58 HydrophobicContact CG2-CD2 4.06Å; I55-Y58 HydrophobicContact CG2-CE2 3.96Å; P56-Y58 HydrophobicContact CG-CE2 4Å; P56-Y58 WeakPolarHBondContact O-CD2 3.44Å; P56-Y58 PolarHBondContact O-N 3.17Å; Y58-W60 VanDerWaalsContact C-N 3.28Å; Y58-W60 PolarHBondContact O-N 2.84Å; Y58-M61 HydrophobicContact CD1-CE 3.65Å; Y58-M61 HydrophobicContact CD2-CE 4.18Å; Y58-M61 HydrophobicContact CE1-CE 3.28Å; Y58-M61 HydrophobicContact CE2-CE 3.8Å; Y58-M61 HydrophobicContact CG-CE 4.07Å; Y58-M61 PolarHBondContact O-N 2.95Å; Y58-R62 PolarHBondContact O-N 2.81Å; Y58-R62 VanDerWaalsContact O-N 3.08Å
59D48.2Very low59.1Low71 Ų7184 Ų8438%0.3841%0.414SS..Hα-helixtrans-63.9-29173.4-138.847.1000113.3S57 R62 K63S57-D59 PolarHBondContact O-N 2.85Å; D59-R62 IonicContact OD1-NH2 2.67Å; D59-K63 WeakPolarHBondContact O-CD 3.12Å; D59-K63 WeakPolarHBondContact O-CE 3.34Å; D59-K63 VanDerWaalsContact O-CG 3.24Å; D59-K63 WeakPolarHBondContact O-CG 3.33Å; D59-K63 PolarHBondContact O-NZ 3.03Å; D59-K63 IonicContact OD2-NZ 3.92Å; D59-K63 PolarHBondContact OD2-NZ 3.2Å
60W42.4Very low57.1Low118 Ų11887.6 Ų87.645%0.44743%0.429SS..Hα-helixtrans-88.7-31.2171.764.2-105.6000113.5P56 S57 Y58 K63 L64P56-W60 HydrophobicContact CB-CH2 4.31Å; P56-W60 HydrophobicContact CB-CZ2 3.42Å; P56-W60 VanDerWaalsContact CB-CZ2 3.42Å; S57-W60 VanDerWaalsContact C-CD1 3.5Å; S57-W60 VanDerWaalsContact O-CE2 3.26Å; S57-W60 PolarHBondContact O-N 2.96Å; S57-W60 VanDerWaalsContact O-N 3.14Å; S57-W60 PolarHBondContact O-NE1 3.13Å; Y58-W60 VanDerWaalsContact C-N 3.28Å; Y58-W60 PolarHBondContact O-N 2.84Å; W60-K63 CarbonylContact O-C 3.5Å; W60-K63 WeakPolarHBondContact O-CA 3.3Å; W60-K63 WeakPolarHBondContact O-CB 3.44Å; W60-K63 PolarHBondContact O-N 2.94Å; W60-L64 HydrophobicContact CE3-CD1 3.3Å; W60-L64 HydrophobicContact CE3-CG 4.3Å; W60-L64 HydrophobicContact CZ3-CD1 3.37Å; W60-L64 PolarHBondContact O-N 3.46Å
61M45Very low54.8Low64 Ų6491.7 Ų91.732%0.31546%0.463SS..Hα-helixtrans-73.3-27.7-178.4-165155.545.100112.7P56 S57 Y58 K63P56-M61 HydrophobicContact CG-CE 4.28Å; S57-M61 PolarHBondContact O-N 3.08Å; Y58-M61 HydrophobicContact CD1-CE 3.65Å; Y58-M61 HydrophobicContact CD2-CE 4.18Å; Y58-M61 HydrophobicContact CE1-CE 3.28Å; Y58-M61 HydrophobicContact CE2-CE 3.8Å; Y58-M61 HydrophobicContact CG-CE 4.07Å; Y58-M61 PolarHBondContact O-N 2.95Å; M61-K63 VanDerWaalsContact C-N 3.28Å
62R51.8Low52.7Low55 Ų5599.3 Ų99.321%0.20849%0.494CS..THydrogen-bonded Turntrans-72.5-16.7164.5-77.8-170.9-66.4-123.4-1.1114.2L23 Y58 D59 R102L23-R62 VanDerWaalsContact CD1-CZ 3.45Å; Y58-R62 PolarHBondContact O-N 2.81Å; Y58-R62 VanDerWaalsContact O-N 3.08Å; D59-R62 IonicContact OD1-NH2 2.67Å; R62-R102 HydrophobicContact CB-CG 4.28Å; R62-R102 PolarHBondContact O-NE 2.9Å; R62-R102 PolarHBondContact O-NH2 3.26Å
63K42Very low50.6Low130 Ų130106.3 Ų106.357%0.56552%0.524SS*.THydrogen-bonded Turntrans-94.5-19.8177.8-67.4171.5-167152.70112.8D59 W60 M61 T65D59-K63 WeakPolarHBondContact O-CD 3.12Å; D59-K63 WeakPolarHBondContact O-CE 3.34Å; D59-K63 VanDerWaalsContact O-CG 3.24Å; D59-K63 WeakPolarHBondContact O-CG 3.33Å; D59-K63 PolarHBondContact O-NZ 3.03Å; D59-K63 IonicContact OD2-NZ 3.92Å; D59-K63 PolarHBondContact OD2-NZ 3.2Å; W60-K63 CarbonylContact O-C 3.5Å; W60-K63 WeakPolarHBondContact O-CA 3.3Å; W60-K63 WeakPolarHBondContact O-CB 3.44Å; W60-K63 PolarHBondContact O-N 2.94Å; M61-K63 VanDerWaalsContact C-N 3.28Å; K63-T65 PolarHBondContact O-N 3.24Å
64L39.2Very low48.8Very low87 Ų87105.1 Ų105.146%0.45553%0.526SS..  trans-77.5107.3-175.4-95.7169.3000113.2W60W60-L64 HydrophobicContact CE3-CD1 3.3Å; W60-L64 HydrophobicContact CE3-CG 4.3Å; W60-L64 HydrophobicContact CZ3-CD1 3.37Å; W60-L64 PolarHBondContact O-N 3.46Å
65T44.5Very low47Very low36 Ų36111.3 Ų111.322%0.22154%0.538CS..  trans-83.7103.3146.9-23.80000104.4K63 R67 F94 K98 M287K63-T65 PolarHBondContact O-N 3.24Å; T65-R67 PolarHBondContact O-N 3.04Å; T65-F94 HydrophobicContact CG2-CE1 3.98Å; T65-F94 HydrophobicContact CG2-CE2 4.4Å; T65-F94 HydrophobicContact CG2-CZ 3.35Å; T65-K98 HydrophobicContact CG2-CD 4.47Å; T65-K98 WeakPolarHBondContact OG1-CE 3.36Å; T65-K98 PolarHBondContact OG1-NZ 2.59Å; T65-M287 HydrophobicContact CG2-CE 4.38Å; T65-M287 HydrophobicContact CG2-SD 4.14Å
66Q36.4Very low45.3Very low171 Ų171112 Ų11280%0.79955%0.547SS*.  trans-60.7110173.8-86.5-172.8-5.700107.8K68Q66-K68 PolarHBondContact O-N 3.23Å
67R40.9Very low44.3Very low180 Ų180111.4 Ų111.468%0.67954%0.544SS*.  trans-77.698.8172.3-81.8-179.7173.5170.7-5.5107.7T65 Y291T65-R67 PolarHBondContact O-N 3.04Å; R67-Y291 PolarHBondContact NH2-OH 3Å
68K37.9Very low43.8Very low175 Ų175109.4 Ų109.476%0.76153%0.53SS*.  trans-69.7131.2153-83.4-175.9175.3178.60107.3Q66 Q70Q66-K68 PolarHBondContact O-N 3.23Å; K68-Q70 PolarHBondContact O-N 2.77Å; K68-Q70 VanDerWaalsContact O-N 3.12Å
69K35.9Very low43.8Very low210 Ų210107.6 Ų107.691%0.91352%0.524SS*.  trans-60.5114.8168.1-86.2-177.6174.8178.80107.1
70Q42.2Very low44.8Very low110 Ų110104.6 Ų104.651%0.51451%0.507SS..  trans-65.5133.7171.7-89.3177.7-32.100109.4K68 P285K68-Q70 PolarHBondContact O-N 2.77Å; K68-Q70 VanDerWaalsContact O-N 3.12Å; Q70-P285 PolarHBondContact NE2-O 3.42Å
71A36.6Very low45.9Very low86 Ų86102.4 Ų102.471%0.71150%0.504SS*.  trans-67.8141153.200000107.5K73A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 2.9Å
72K40.2Very low47.1Very low219 Ų219105.7 Ų105.795%0.95252%0.518SS*.  trans-56.490.1179.1-68.6-179.3176.9-176.60110
73K41Very low48.5Very low163 Ų163103.4 Ų103.471%0.70951%0.511SS*.  trans-72.6135158.3-75.3-178.4177.9169.20105.9A71 E284A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 2.9Å; K73-E284 IonicContact NZ-OE2 3.27Å; K73-E284 PolarHBondContact NZ-OE2 3.01Å
74G44.4Very low50.6Low69 Ų69102.8 Ų102.871%0.71151%0.51SS*.SBendtrans-53.4162.2-171.400000113.6A76G74-A76 PolarHBondContact O-N 3.09Å
75K42.8Very low53.1Low213 Ų213100.4 Ų100.493%0.92650%0.499SS*.  trans-26.287.3-177.3-58.9-179.2-179.5-172.50113.5S77K75-S77 PolarHBondContact O-N 3.14Å; K75-S77 VanDerWaalsContact O-N 3.08Å
76A42.5Very low55.3Low38 Ų38100.9 Ų100.931%0.31450%0.502SS..  trans-71.8103.6167.800000105.9G74 L78G74-A76 PolarHBondContact O-N 3.09Å; A76-L78 PolarHBondContact O-N 3.31Å; A76-L78 VanDerWaalsContact O-N 3.12Å
77S48.2Very low57.7Low43 Ų4396.1 Ų96.130%0.30148%0.48SS..  trans-60.5117.6175.5-170.50000107.4K75 L79K75-S77 PolarHBondContact O-N 3.14Å; K75-S77 VanDerWaalsContact O-N 3.08Å; S77-L79 PolarHBondContact O-N 3.4Å; S77-L79 VanDerWaalsContact O-N 3.1Å; S77-L79 VanDerWaalsContact OG-CB 3.3Å; S77-L79 WeakPolarHBondContact OG-CB 3.13Å; S77-L79 WeakPolarHBondContact OG-CD1 3.38Å; S77-L79 VanDerWaalsContact OG-CG 3.27Å; S77-L79 WeakPolarHBondContact OG-CG 3.33Å
78L55.7Low60Low4 Ų487.5 Ų87.52%0.02145%0.447CS..  trans-68.9-3.8175.6-66.9170000111.3A76 D288 L289 L292 N364 Y365 N384A76-L78 PolarHBondContact O-N 3.31Å; A76-L78 VanDerWaalsContact O-N 3.12Å; L78-D288 HydrophobicContact CD2-CB 4.16Å; L78-L289 HydrophobicContact CD2-CB 4.07Å; L78-L289 HydrophobicContact CD2-CD1 4.11Å; L78-L292 HydrophobicContact CB-CD1 4.21Å; L78-N364 HydrophobicContact CD1-CB 3.6Å; L78-N364 HydrophobicContact CG-CB 4.44Å; L78-Y365 HydrophobicContact CB-CE2 3.8Å; L78-Y365 WeakPolarHBondContact CB-OH 3.35Å; L78-Y365 HydrophobicContact CD1-CD2 4.09Å; L78-Y365 HydrophobicContact CD1-CE2 3.47Å; L78-Y365 VanDerWaalsContact CD1-CE2 3.47Å; L78-Y365 HydrophobicContact CG-CE2 4.12Å; L78-N384 PolarHBondContact O-ND2 3.26Å; L78-N384 PolarHBondContact O-OD1 3.36Å
79L61Low62.6Low18 Ų1879.2 Ų79.29%0.09441%0.411CS..  trans-71.2120.6-179.4-56177.1000112.2S77 D81 H82 L83 Y365 S380 N384S77-L79 PolarHBondContact O-N 3.4Å; S77-L79 VanDerWaalsContact O-N 3.1Å; S77-L79 VanDerWaalsContact OG-CB 3.3Å; S77-L79 WeakPolarHBondContact OG-CB 3.13Å; S77-L79 WeakPolarHBondContact OG-CD1 3.38Å; S77-L79 VanDerWaalsContact OG-CG 3.27Å; S77-L79 WeakPolarHBondContact OG-CG 3.33Å; L79-D81 PolarHBondContact O-N 3.11Å; L79-H82 HydrophobicContact CB-CB 4.29Å; L79-H82 WeakPolarHBondContact CD1-CD2 3.23Å; L79-H82 CarbonylContact O-C 3.57Å; L79-H82 PolarHBondContact O-N 2.86Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 PolarHBondContact O-N 3.33Å; L79-Y365 WeakPolarHBondContact CD2-OH 3.48Å; L79-Y365 WeakPolarHBondContact CG-OH 3.32Å; L79-S380 WeakPolarHBondContact CD2-O 3.43Å; L79-N384 VanDerWaalsContact C-OD1 3.3Å; L79-N384 WeakPolarHBondContact CA-OD1 3.37Å
80F69.3Low65.2Low7 Ų772.1 Ų72.13%0.03138%0.381CS..THydrogen-bonded Turntrans-55.7-39.5177.8174.6-92.9000109.9H82 L83 L88 W136 M140 V153 K156 Y157 N384F80-H82 VanDerWaalsContact C-N 3.3Å; F80-H82 PolarHBondContact O-N 2.97Å; F80-L83 PolarHBondContact O-N 2.74Å; F80-L88 HydrophobicContact CD2-CD2 4.25Å; F80-L88 HydrophobicContact CE2-CD2 3.72Å; F80-W136 AromaticContact CD2-CH2 3.96Å; F80-W136 HydrophobicContact CD2-CH2 3.96Å; F80-W136 HydrophobicContact CD2-CZ2 4.01Å; F80-W136 AromaticContact CE2-CH2 3.86Å; F80-W136 HydrophobicContact CE2-CH2 3.86Å; F80-W136 HydrophobicContact CE2-CZ2 4.23Å; F80-M140 HydrophobicContact CB-CE 3.84Å; F80-M140 HydrophobicContact CD1-CE 3.41Å; F80-M140 VanDerWaalsContact CD1-CE 3.41Å; F80-M140 HydrophobicContact CD2-CE 3.76Å; F80-M140 HydrophobicContact CE1-CE 3.85Å; F80-M140 HydrophobicContact CE2-CE 4.16Å; F80-M140 HydrophobicContact CG-CE 3.36Å; F80-M140 HydrophobicContact CZ-CE 4.21Å; F80-V153 HydrophobicContact CE1-CG1 4.06Å; F80-V153 HydrophobicContact CE1-CG2 4.37Å; F80-V153 HydrophobicContact CZ-CG1 4.27Å; F80-K156 HydrophobicContact CE1-CD 4.06Å; F80-K156 HydrophobicContact CZ-CD 4.12Å; F80-K156 WeakPolarHBondContact O-CE 3.12Å; F80-K156 PolarHBondContact O-NZ 2.82Å; F80-Y157 AromaticContact CE2-CE1 3.93Å; F80-Y157 HydrophobicContact CE2-CE1 3.93Å; F80-Y157 HydrophobicContact CE2-CE2 4.16Å; F80-Y157 AromaticContact CE2-CZ 3.52Å; F80-Y157 WeakPolarHBondContact CE2-OH 3.38Å; F80-Y157 HydrophobicContact CZ-CD2 4.33Å; F80-Y157 HydrophobicContact CZ-CE1 4.08Å; F80-Y157 AromaticContact CZ-CE2 3.62Å; F80-Y157 HydrophobicContact CZ-CE2 3.62Å; F80-Y157 AromaticContact CZ-CZ 3.47Å; F80-Y157 VanDerWaalsContact CZ-CZ 3.47Å; F80-N384 PolarHBondContact N-OD1 3.24Å
81D67.3Low67.3Low73 Ų7367.3 Ų67.339%0.3936%0.359SS..THydrogen-bonded Turntrans-65.6-32.2-179.4-67.7-24.7000111.8L79 K144 K156L79-D81 PolarHBondContact O-N 3.11Å; D81-K144 IonicContact OD1-NZ 3.98Å; D81-K144 PolarHBondContact OD1-NZ 3Å; D81-K144 IonicContact OD2-NZ 3.75Å; D81-K144 PolarHBondContact OD2-NZ 3.06Å; D81-K156 PolarHBondContact O-NZ 3.48Å
82H69.8Low69.9Low132 Ų13263.2 Ų63.261%0.61133%0.325SS*.THydrogen-bonded Turntrans-98.5-13179.9-57.4-48.1000115L79 F80 E84L79-H82 HydrophobicContact CB-CB 4.29Å; L79-H82 WeakPolarHBondContact CD1-CD2 3.23Å; L79-H82 CarbonylContact O-C 3.57Å; L79-H82 PolarHBondContact O-N 2.86Å; F80-H82 VanDerWaalsContact C-N 3.3Å; F80-H82 PolarHBondContact O-N 2.97Å; H82-E84 PolarHBondContact O-N 2.86Å
83L80.3Confident72.4Confident8 Ų852.8 Ų52.84%0.04228%0.28CS..SBendtrans-67.2130.2178.6-171.271.3000110.5L79 F80 E87 L88 K156 L289L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 PolarHBondContact O-N 3.33Å; F80-L83 PolarHBondContact O-N 2.74Å; L83-E87 HydrophobicContact CD1-CB 3.88Å; L83-E87 VanDerWaalsContact CD1-OE2 3.31Å; L83-E87 WeakPolarHBondContact CD1-OE2 3.38Å; L83-E87 HydrophobicContact CG-CB 4.25Å; L83-L88 HydrophobicContact CD2-CB 3.7Å; L83-L88 HydrophobicContact CD2-CD1 3.92Å; L83-L88 HydrophobicContact CD2-CG 4.26Å; L83-L88 HydrophobicContact CG-CB 4.38Å; L83-K156 WeakPolarHBondContact O-CE 3.43Å; L83-K156 PolarHBondContact O-NZ 3.32Å; L83-L289 HydrophobicContact CD1-CD2 3.59Å; L83-L289 HydrophobicContact CD2-CD1 4.3Å; L83-L289 HydrophobicContact CD2-CD2 3.72Å; L83-L289 HydrophobicContact CG-CD2 4.32Å
84E86.2Confident74.6Confident117 Ų11746.3 Ų46.355%0.54725%0.252SS..  trans-70147.2179.2-68.6-164.7160.900111.4H82 V86 E87 L88H82-E84 PolarHBondContact O-N 2.86Å; E84-V86 HydrophobicContact CB-CG1 4.08Å; E84-V86 PolarHBondContact O-N 2.87Å; E84-V86 VanDerWaalsContact O-N 3.12Å; E84-E87 HydrophobicContact CB-CG 4.19Å; E84-E87 PolarHBondContact N-OE2 3.34Å; E84-E87 PolarHBondContact O-N 3.09Å; E84-E87 VanDerWaalsContact O-N 3.12Å; E84-L88 PolarHBondContact O-N 2.93Å; E84-L88 VanDerWaalsContact O-N 3.08Å
85P91.9Very high76.6Confident37 Ų3743.9 Ų43.924%0.2422%0.222CC..Hα-helixtrans-55.4-31.9177.9-27.935.4000114.1A89 K156 H159 V160 K163P85-A89 WeakPolarHBondContact O-CB 3.35Å; P85-A89 PolarHBondContact O-N 3.3Å; P85-A89 VanDerWaalsContact O-N 3.09Å; P85-K156 HydrophobicContact CG-CG 4.43Å; P85-H159 HydrophobicContact CB-CB 3.98Å; P85-H159 HydrophobicContact CG-CB 4.02Å; P85-V160 HydrophobicContact CB-CG2 3.88Å; P85-K163 HydrophobicContact CB-CG 4.46Å
86V90.5Very high78.9Confident46 Ų4633.7 Ų33.728%0.27918%0.178SC..Hα-helixtrans-70.8-44.7178.263.70000111.6E84 L88 A89 E90 K163E84-V86 HydrophobicContact CB-CG1 4.08Å; E84-V86 PolarHBondContact O-N 2.87Å; E84-V86 VanDerWaalsContact O-N 3.12Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 2.92Å; V86-A89 PolarHBondContact O-N 2.74Å; V86-E90 WeakPolarHBondContact O-CG 3.35Å; V86-E90 PolarHBondContact O-N 3.39Å; V86-K163 HydrophobicContact CB-CD 4.25Å; V86-K163 HydrophobicContact CB-CG 4.17Å; V86-K163 HydrophobicContact CG2-CD 4.47Å
87E87.4Confident81.1Confident70 Ų7032.4 Ų32.433%0.32717%0.165SC..Hα-helixtrans-61.4-46.7177.7-64.5-179.8141.700109.6L83 E84 A89 E90 H91L83-E87 HydrophobicContact CD1-CB 3.88Å; L83-E87 VanDerWaalsContact CD1-OE2 3.31Å; L83-E87 WeakPolarHBondContact CD1-OE2 3.38Å; L83-E87 HydrophobicContact CG-CB 4.25Å; E84-E87 HydrophobicContact CB-CG 4.19Å; E84-E87 PolarHBondContact N-OE2 3.34Å; E84-E87 PolarHBondContact O-N 3.09Å; E84-E87 VanDerWaalsContact O-N 3.12Å; E87-A89 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 2.98Å; E87-E90 WeakPolarHBondContact O-CB 3.36Å; E87-E90 PolarHBondContact O-N 2.94Å; E87-H91 PolarHBondContact O-N 3.19Å; E87-H91 PolarHBondContact O-ND1 3.29Å
88L88.3Confident82.8Confident0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-59.8-44177-175.954000112.3F80 L83 E84 V86 E90 H91 L92 W136 Y157 V160 L293F80-L88 HydrophobicContact CD2-CD2 4.25Å; F80-L88 HydrophobicContact CE2-CD2 3.72Å; L83-L88 HydrophobicContact CD2-CB 3.7Å; L83-L88 HydrophobicContact CD2-CD1 3.92Å; L83-L88 HydrophobicContact CD2-CG 4.26Å; L83-L88 HydrophobicContact CG-CB 4.38Å; E84-L88 PolarHBondContact O-N 2.93Å; E84-L88 VanDerWaalsContact O-N 3.08Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 2.92Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 2.96Å; L88-H91 PolarHBondContact O-N 3.04Å; L88-L92 HydrophobicContact CD1-CD1 4.18Å; L88-L92 HydrophobicContact CD1-CG 4.09Å; L88-L92 HydrophobicContact CG-CD1 4.08Å; L88-L92 HydrophobicContact CG-CG 4.44Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.33Å; L88-W136 HydrophobicContact CD1-CH2 3.92Å; L88-W136 HydrophobicContact CD1-CZ3 4.3Å; L88-W136 HydrophobicContact CD2-CH2 3.98Å; L88-W136 HydrophobicContact CD2-CZ3 4.29Å; L88-Y157 HydrophobicContact CD2-CE1 4.16Å; L88-V160 HydrophobicContact CB-CG2 4.33Å; L88-V160 HydrophobicContact CD2-CG1 4.5Å; L88-V160 HydrophobicContact CD2-CG2 3.93Å; L88-V160 HydrophobicContact CG-CG1 4.4Å; L88-V160 HydrophobicContact CG-CG2 4.4Å; L88-L293 HydrophobicContact CD1-CD1 4.15Å; L88-L293 HydrophobicContact CD1-CD2 4Å
89A92.6Very high84.2Confident0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-61.2-40.9177.800000112.4P85 V86 E87 T93 V160 K163 L164 L167P85-A89 WeakPolarHBondContact O-CB 3.35Å; P85-A89 PolarHBondContact O-N 3.3Å; P85-A89 VanDerWaalsContact O-N 3.09Å; V86-A89 PolarHBondContact O-N 2.74Å; E87-A89 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 2.98Å; A89-T93 VanDerWaalsContact O-CB 3.23Å; A89-T93 WeakPolarHBondContact O-CB 3.39Å; A89-T93 PolarHBondContact O-N 3.05Å; A89-T93 PolarHBondContact O-OG1 3.27Å; A89-V160 HydrophobicContact CB-CG1 4.22Å; A89-K163 HydrophobicContact CB-CB 3.63Å; A89-L164 HydrophobicContact CB-CD2 3.86Å; A89-L164 HydrophobicContact CB-CG 3.88Å; A89-L164 WeakPolarHBondContact O-CD2 3.38Å; A89-L167 HydrophobicContact CB-CD1 4.05Å
90E90.2Very high85.4Confident61 Ų6133 Ų3329%0.28516%0.163SC..Hα-helixtrans-61.2-48.1175.1-79.1179.6173.800111.6V86 E87 L88 T93 F94 L167 V283V86-E90 WeakPolarHBondContact O-CG 3.35Å; V86-E90 PolarHBondContact O-N 3.39Å; E87-E90 WeakPolarHBondContact O-CB 3.36Å; E87-E90 PolarHBondContact O-N 2.94Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 2.96Å; E90-T93 WeakPolarHBondContact O-CB 3.4Å; E90-T93 PolarHBondContact O-N 2.99Å; E90-F94 WeakPolarHBondContact O-CB 3.31Å; E90-F94 PolarHBondContact O-N 3.14Å; E90-L167 HydrophobicContact CG-CD1 4.01Å; E90-V283 HydrophobicContact CB-CG1 3.63Å; E90-V283 HydrophobicContact CG-CG1 4.08Å; E90-V283 WeakPolarHBondContact O-CG1 3.32Å
91H87.4Confident86.1Confident10 Ų1038.6 Ų38.65%0.04618%0.184CC..Hα-helixtrans-67.6-40-178.3-69.478.1000112.7E87 L88 T93 F94 L95 N286 L289 L293E87-H91 PolarHBondContact O-N 3.19Å; E87-H91 PolarHBondContact O-ND1 3.29Å; L88-H91 PolarHBondContact O-N 3.04Å; H91-T93 VanDerWaalsContact C-N 3.35Å; H91-F94 WeakPolarHBondContact O-CB 3.22Å; H91-F94 PolarHBondContact O-N 3.49Å; H91-L95 WeakPolarHBondContact O-CG 3.46Å; H91-L95 PolarHBondContact O-N 3.19Å; H91-N286 WeakPolarHBondContact NE2-CA 3.21Å; H91-N286 VanDerWaalsContact NE2-CB 3.31Å; H91-N286 WeakPolarHBondContact NE2-CB 3.3Å; H91-N286 PolarHBondContact NE2-N 2.86Å; H91-L289 HydrophobicContact CB-CD2 4.4Å; H91-L293 HydrophobicContact CB-CD1 3.74Å
92L90.6Very high86.7Confident0 Ų038.5 Ų38.50%018%0.178CC..Hα-helixtrans-64.5-41173.1-67.9174.1000111.4L88 F94 L95 E96 I133 V160 T172 L297L88-L92 HydrophobicContact CD1-CD1 4.18Å; L88-L92 HydrophobicContact CD1-CG 4.09Å; L88-L92 HydrophobicContact CG-CD1 4.08Å; L88-L92 HydrophobicContact CG-CG 4.44Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.33Å; L92-F94 VanDerWaalsContact C-N 3.29Å; L92-F94 PolarHBondContact O-N 3.49Å; L92-L95 PolarHBondContact O-N 3.23Å; L92-E96 WeakPolarHBondContact O-CB 3.48Å; L92-E96 PolarHBondContact O-N 2.78Å; L92-I133 HydrophobicContact CD2-CD1 4.35Å; L92-I133 HydrophobicContact CD2-CG1 4.27Å; L92-V160 HydrophobicContact CD1-CG1 4.44Å; L92-T172 HydrophobicContact CB-CG2 3.82Å; L92-T172 HydrophobicContact CD1-CG2 4.13Å; L92-L297 HydrophobicContact CD2-CD1 4.38Å
93T92.3Very high87.5Confident0 Ų032.2 Ų32.20%015%0.15CC..Hα-helixtrans-61.4-40.2175.2-61.10000111.7A89 E90 H91 F97 L164 N169 F229 I231 V283A89-T93 VanDerWaalsContact O-CB 3.23Å; A89-T93 WeakPolarHBondContact O-CB 3.39Å; A89-T93 PolarHBondContact O-N 3.05Å; A89-T93 PolarHBondContact O-OG1 3.27Å; E90-T93 WeakPolarHBondContact O-CB 3.4Å; E90-T93 PolarHBondContact O-N 2.99Å; H91-T93 VanDerWaalsContact C-N 3.35Å; T93-F97 WeakPolarHBondContact O-CB 3.28Å; T93-F97 PolarHBondContact O-N 2.91Å; T93-L164 WeakPolarHBondContact OG1-CD2 3.44Å; T93-N169 VanDerWaalsContact CA-ND2 3.32Å; T93-N169 WeakPolarHBondContact CA-ND2 3.38Å; T93-N169 WeakPolarHBondContact CB-ND2 3.28Å; T93-N169 HydrophobicContact CG2-CB 4.14Å; T93-N169 PolarHBondContact OG1-ND2 3.22Å; T93-F229 HydrophobicContact CG2-CE1 3.78Å; T93-F229 HydrophobicContact CG2-CZ 3.9Å; T93-I231 HydrophobicContact CG2-CD1 3.91Å; T93-V283 HydrophobicContact CG2-CG2 4.44Å
94F88.2Confident87.6Confident27 Ų2732.6 Ų32.612%0.11815%0.153CC..Hα-helixtrans-63.8-45.5175.6177.2-100.6000112.8T65 E90 H91 L92 K98 V283 P285 V290T65-F94 HydrophobicContact CG2-CE1 3.98Å; T65-F94 HydrophobicContact CG2-CE2 4.4Å; T65-F94 HydrophobicContact CG2-CZ 3.35Å; E90-F94 WeakPolarHBondContact O-CB 3.31Å; E90-F94 PolarHBondContact O-N 3.14Å; H91-F94 WeakPolarHBondContact O-CB 3.22Å; H91-F94 PolarHBondContact O-N 3.49Å; L92-F94 VanDerWaalsContact C-N 3.29Å; L92-F94 PolarHBondContact O-N 3.49Å; F94-K98 HydrophobicContact CE1-CD 4.37Å; F94-K98 VanDerWaalsContact O-CB 3.24Å; F94-K98 WeakPolarHBondContact O-CB 3.47Å; F94-K98 PolarHBondContact O-N 3.33Å; F94-V283 HydrophobicContact CB-CG1 4.41Å; F94-P285 HydrophobicContact CB-CB 4.16Å; F94-P285 HydrophobicContact CB-CG 4.47Å; F94-P285 HydrophobicContact CD1-CB 3.75Å; F94-P285 HydrophobicContact CD1-CG 3.74Å; F94-P285 HydrophobicContact CD2-CB 4.19Å; F94-P285 HydrophobicContact CD2-CG 3.6Å; F94-P285 HydrophobicContact CE1-CB 4.13Å; F94-P285 HydrophobicContact CE1-CG 3.7Å; F94-P285 HydrophobicContact CE2-CG 3.58Å; F94-P285 HydrophobicContact CG-CB 3.75Å; F94-P285 HydrophobicContact CG-CG 3.65Å; F94-P285 HydrophobicContact CZ-CB 4.48Å; F94-P285 HydrophobicContact CZ-CG 3.59Å; F94-V290 HydrophobicContact CD1-CG2 3.9Å; F94-V290 HydrophobicContact CE1-CG1 4.47Å; F94-V290 HydrophobicContact CE1-CG2 4.2Å
95L86.3Confident87.6Confident17 Ų1730.9 Ų30.99%0.08914%0.144CC..Hα-helixtrans-59.4-49176.7-78.4173.3000111.4H91 L92 K98 S99 L129 V290 L293 L297H91-L95 WeakPolarHBondContact O-CG 3.46Å; H91-L95 PolarHBondContact O-N 3.19Å; L92-L95 PolarHBondContact O-N 3.23Å; L95-K98 PolarHBondContact O-N 3.31Å; L95-S99 PolarHBondContact O-N 2.74Å; L95-L129 HydrophobicContact CB-CD2 4.38Å; L95-V290 HydrophobicContact CD2-CG1 3.75Å; L95-V290 HydrophobicContact CG-CG1 4.48Å; L95-L293 HydrophobicContact CD1-CB 3.88Å; L95-L293 HydrophobicContact CD1-CD1 4.34Å; L95-L297 HydrophobicContact CD1-CD1 3.96Å
96E90.6Very high87.3Confident0 Ų031.7 Ų31.70%015%0.148CC..Hα-helixtrans-62.3-48.8179.5-17459.5-149.500111.3L92 K98 S99 I100 L129 N171 I231L92-E96 WeakPolarHBondContact O-CB 3.48Å; L92-E96 PolarHBondContact O-N 2.78Å; E96-K98 VanDerWaalsContact C-N 3.29Å; E96-K98 PolarHBondContact O-N 3.3Å; E96-S99 WeakPolarHBondContact O-CA 3.33Å; E96-S99 VanDerWaalsContact O-CB 3.29Å; E96-S99 WeakPolarHBondContact O-CB 3.39Å; E96-S99 PolarHBondContact O-N 3.07Å; E96-I100 HydrophobicContact CG-CD1 4.01Å; E96-I100 PolarHBondContact O-N 2.76Å; E96-I100 WeakPolarHBondContact OE1-CD1 3.4Å; E96-L129 WeakPolarHBondContact OE2-CD2 3.48Å; E96-N171 HydrophobicContact CG-CB 4.36Å; E96-N171 PolarHBondContact OE1-ND2 3.28Å; E96-I231 HydrophobicContact CB-CD1 4.47Å; E96-I231 HydrophobicContact CG-CD1 4.36Å; E96-I231 HydrophobicContact CG-CG2 4.13Å
97F88.7Confident87.2Confident11 Ų1130.6 Ų30.65%0.04814%0.141CC..Hα-helixtrans-61.4-40.6179.7-172.6-120.3000112T93 S99 I100 R101 F229 I231 V279T93-F97 WeakPolarHBondContact O-CB 3.28Å; T93-F97 PolarHBondContact O-N 2.91Å; F97-S99 VanDerWaalsContact C-N 3.28Å; F97-S99 PolarHBondContact O-N 3.49Å; F97-I100 PolarHBondContact O-N 3.35Å; F97-R101 HydrophobicContact CD1-CG 4.45Å; F97-R101 HydrophobicContact CD2-CG 4.45Å; F97-R101 HydrophobicContact CE1-CG 4.11Å; F97-R101 HydrophobicContact CE2-CG 4.07Å; F97-R101 HydrophobicContact CZ-CG 3.87Å; F97-R101 WeakPolarHBondContact O-CB 3.48Å; F97-R101 WeakPolarHBondContact O-CG 3.35Å; F97-R101 PolarHBondContact O-N 2.84Å; F97-F229 HydrophobicContact CB-CZ 4.41Å; F97-F229 HydrophobicContact CD1-CE2 4.12Å; F97-F229 AromaticContact CD2-CE2 3.65Å; F97-F229 HydrophobicContact CD2-CE2 3.65Å; F97-F229 HydrophobicContact CD2-CZ 4.08Å; F97-F229 HydrophobicContact CE1-CE2 4.13Å; F97-F229 HydrophobicContact CE2-CD2 4.48Å; F97-F229 AromaticContact CE2-CE2 3.72Å; F97-F229 HydrophobicContact CE2-CE2 3.72Å; F97-F229 AromaticContact CG-CE2 3.88Å; F97-F229 HydrophobicContact CG-CE2 3.88Å; F97-F229 HydrophobicContact CG-CZ 4.13Å; F97-F229 AromaticContact CZ-CE2 3.96Å; F97-F229 HydrophobicContact CZ-CE2 3.96Å; F97-I231 HydrophobicContact CB-CD1 3.95Å; F97-I231 HydrophobicContact CD2-CD1 4.32Å; F97-I231 HydrophobicContact CD2-CG1 4.43Å; F97-V279 WeakPolarHBondContact CZ-O 3.48Å
98K83.8Confident87.3Confident54 Ų5427.3 Ų27.324%0.23513%0.125CC..Hα-helixtrans-62.6-35.4173.9-179179.2175.6177.10112.1T65 F94 L95 E96 R102T65-K98 HydrophobicContact CG2-CD 4.47Å; T65-K98 WeakPolarHBondContact OG1-CE 3.36Å; T65-K98 PolarHBondContact OG1-NZ 2.59Å; F94-K98 HydrophobicContact CE1-CD 4.37Å; F94-K98 VanDerWaalsContact O-CB 3.24Å; F94-K98 WeakPolarHBondContact O-CB 3.47Å; F94-K98 PolarHBondContact O-N 3.33Å; L95-K98 PolarHBondContact O-N 3.31Å; E96-K98 VanDerWaalsContact C-N 3.29Å; E96-K98 PolarHBondContact O-N 3.3Å; K98-R102 WeakPolarHBondContact O-CG 3.43Å
99S85.6Confident87.4Confident14 Ų1431.2 Ų31.210%0.09814%0.143CC..Hα-helixtrans-66.7-52174.4-171.80000111.2L95 E96 F97 R101 R102 S126L95-S99 PolarHBondContact O-N 2.74Å; E96-S99 WeakPolarHBondContact O-CA 3.33Å; E96-S99 VanDerWaalsContact O-CB 3.29Å; E96-S99 WeakPolarHBondContact O-CB 3.39Å; E96-S99 PolarHBondContact O-N 3.07Å; F97-S99 VanDerWaalsContact C-N 3.28Å; F97-S99 PolarHBondContact O-N 3.49Å; S99-R101 VanDerWaalsContact C-N 3.34Å; S99-R101 PolarHBondContact O-N 3.05Å; S99-R102 WeakPolarHBondContact O-CB 3.46Å; S99-R102 PolarHBondContact O-N 3.11Å; S99-S126 VanDerWaalsContact OG-CA 3.24Å; S99-S126 WeakPolarHBondContact OG-CA 3.37Å; S99-S126 VanDerWaalsContact OG-CB 3.24Å; S99-S126 WeakPolarHBondContact OG-CB 3.42Å; S99-S126 PolarHBondContact OG-OG 3.34Å
100I86.3Confident87.2Confident8 Ų832.8 Ų32.84%0.04115%0.154CC..Hα-helixtrans-62.1-37.9-177.2-71.1171.4000112.4E96 F97 R102 I103 I231 Q277E96-I100 HydrophobicContact CG-CD1 4.01Å; E96-I100 PolarHBondContact O-N 2.76Å; E96-I100 WeakPolarHBondContact OE1-CD1 3.4Å; F97-I100 PolarHBondContact O-N 3.35Å; I100-R102 PolarHBondContact O-N 3.3Å; I100-R102 VanDerWaalsContact O-N 3.11Å; I100-I103 PolarHBondContact O-N 2.97Å; I100-I103 VanDerWaalsContact O-N 3.08Å; I100-I231 HydrophobicContact CD1-CG2 3.38Å; I100-Q277 HydrophobicContact CG2-CG 4.1Å; I100-Q277 PolarHBondContact O-NE2 2.79Å
101R83.8Confident87.2Confident125 Ų12531.1 Ų31.147%0.47215%0.145SC..THydrogen-bonded Turntrans-63.1-14.6175.8-75.4-172.773-165.32.3114.5F97 S99 Q277F97-R101 HydrophobicContact CD1-CG 4.45Å; F97-R101 HydrophobicContact CD2-CG 4.45Å; F97-R101 HydrophobicContact CE1-CG 4.11Å; F97-R101 HydrophobicContact CE2-CG 4.07Å; F97-R101 HydrophobicContact CZ-CG 3.87Å; F97-R101 WeakPolarHBondContact O-CB 3.48Å; F97-R101 WeakPolarHBondContact O-CG 3.35Å; F97-R101 PolarHBondContact O-N 2.84Å; S99-R101 VanDerWaalsContact C-N 3.34Å; S99-R101 PolarHBondContact O-N 3.05Å; R101-Q277 HydrophobicContact CG-CB 4.34Å; R101-Q277 PolarHBondContact NE-O 2.65Å
102R80.8Confident87.3Confident71 Ų7130.9 Ų30.927%0.26815%0.145SC..THydrogen-bonded Turntrans-89.6-17.5176.7-67.6173.2167-176.5-2.4112.9R62 K98 S99 I100 S104 T122R62-R102 HydrophobicContact CB-CG 4.28Å; R62-R102 PolarHBondContact O-NE 2.9Å; R62-R102 PolarHBondContact O-NH2 3.26Å; K98-R102 WeakPolarHBondContact O-CG 3.43Å; S99-R102 WeakPolarHBondContact O-CB 3.46Å; S99-R102 PolarHBondContact O-N 3.11Å; I100-R102 PolarHBondContact O-N 3.3Å; I100-R102 VanDerWaalsContact O-N 3.11Å; R102-S104 PolarHBondContact O-N 3.38Å; R102-T122 HydrophobicContact CB-CG2 4.5Å
103I85.4Confident87.2Confident1 Ų135.3 Ų35.31%0.00517%0.167CC..  trans-76121.6179.6-50.9173000107.8I100 D107 Y108 L123 L234 Q277I100-I103 PolarHBondContact O-N 2.97Å; I100-I103 VanDerWaalsContact O-N 3.08Å; I103-D107 HydrophobicContact CG2-CB 3.78Å; I103-Y108 HydrophobicContact CB-CE1 4.5Å; I103-Y108 HydrophobicContact CB-CE2 4.44Å; I103-Y108 HydrophobicContact CG2-CD1 3.99Å; I103-Y108 HydrophobicContact CG2-CD2 4.22Å; I103-Y108 HydrophobicContact CG2-CE1 3.52Å; I103-Y108 HydrophobicContact CG2-CE2 3.79Å; I103-Y108 HydrophobicContact CG2-CG 4.31Å; I103-Y108 VanDerWaalsContact CG2-CZ 3.43Å; I103-L123 HydrophobicContact CD1-CD1 4Å; I103-L234 HydrophobicContact CD1-CD2 3.76Å; I103-Q277 PolarHBondContact O-NE2 3.46Å; I103-Q277 PolarHBondContact O-OE1 3.08Å
104S83Confident86.8Confident16 Ų1640.1 Ų40.111%0.11219%0.19CC..  trans-92.7169.3179.861.60000111.8R102 T106 D107 Y108R102-S104 PolarHBondContact O-N 3.38Å; S104-T106 VanDerWaalsContact C-N 3.3Å; S104-T106 PolarHBondContact O-N 3.07Å; S104-T106 PolarHBondContact OG-OG1 3.36Å; S104-D107 PolarHBondContact N-OD2 3.17Å; S104-D107 WeakPolarHBondContact O-CB 3.44Å; S104-D107 PolarHBondContact O-N 3.14Å; S104-D107 PolarHBondContact OG-N 3.18Å; S104-D107 PolarHBondContact OG-OD1 3.42Å; S104-D107 PolarHBondContact OG-OD2 3.42Å; S104-Y108 WeakPolarHBondContact O-CD2 3.18Å; S104-Y108 PolarHBondContact O-N 3.05Å
105F86.7Confident86.4Confident81 Ų8140.8 Ų40.836%0.35520%0.204SC..Hα-helixtrans-58.9-43.6172.6171.5-98.4000111.5D107 Y108 Q109 F270F105-D107 PolarHBondContact O-N 2.83Å; F105-Y108 PolarHBondContact O-N 3.42Å; F105-Y108 VanDerWaalsContact O-N 3.11Å; F105-Q109 HydrophobicContact CE1-CB 4.27Å; F105-Q109 HydrophobicContact CZ-CB 4.45Å; F105-Q109 WeakPolarHBondContact O-CB 3.2Å; F105-Q109 PolarHBondContact O-N 2.96Å; F105-F270 HydrophobicContact CD2-CB 4.33Å; F105-F270 HydrophobicContact CD2-CD1 4.29Å; F105-F270 HydrophobicContact CD2-CD2 4.48Å; F105-F270 HydrophobicContact CD2-CG 4.15Å; F105-F270 HydrophobicContact CE2-CB 4.15Å; F105-F270 HydrophobicContact CE2-CD1 4.14Å; F105-F270 AromaticContact CE2-CD2 3.63Å; F105-F270 HydrophobicContact CE2-CD2 3.63Å; F105-F270 HydrophobicContact CE2-CE1 4.45Å; F105-F270 AromaticContact CE2-CE2 3.94Å; F105-F270 HydrophobicContact CE2-CE2 3.94Å; F105-F270 AromaticContact CE2-CG 3.73Å; F105-F270 HydrophobicContact CE2-CG 3.73Å; F105-F270 HydrophobicContact CE2-CZ 4.35Å; F105-F270 HydrophobicContact CZ-CD2 4.45Å; F105-F270 HydrophobicContact CZ-CE2 4.43Å
106T85.3Confident86.1Confident53 Ų5343 Ų4333%0.32522%0.22SC..Hα-helixtrans-60.2-33.8178.452.80000112.4E20 S104 Q109 S110E20-T106 WeakPolarHBondContact OE2-CG2 3.45Å; S104-T106 VanDerWaalsContact C-N 3.3Å; S104-T106 PolarHBondContact O-N 3.07Å; S104-T106 PolarHBondContact OG-OG1 3.36Å; T106-Q109 PolarHBondContact O-N 2.55Å; T106-S110 VanDerWaalsContact O-CB 3.25Å; T106-S110 WeakPolarHBondContact O-CB 3.44Å; T106-S110 PolarHBondContact O-N 3.15Å
107D87.7Confident85.6Confident24 Ų2445.4 Ų45.413%0.12823%0.233CC..Hα-helixtrans-64.1-47175.3-62.1-34.2000110.8I103 S104 F105 Y111 N120 T122I103-D107 HydrophobicContact CG2-CB 3.78Å; S104-D107 PolarHBondContact N-OD2 3.17Å; S104-D107 WeakPolarHBondContact O-CB 3.44Å; S104-D107 PolarHBondContact O-N 3.14Å; S104-D107 PolarHBondContact OG-N 3.18Å; S104-D107 PolarHBondContact OG-OD1 3.42Å; S104-D107 PolarHBondContact OG-OD2 3.42Å; F105-D107 PolarHBondContact O-N 2.83Å; D107-Y111 PolarHBondContact O-N 3.49Å; D107-Y111 VanDerWaalsContact O-N 3.11Å; D107-N120 WeakPolarHBondContact CA-ND2 3.39Å; D107-N120 WeakPolarHBondContact CB-OD1 3.35Å; D107-N120 PolarHBondContact O-ND2 3.31Å; D107-N120 PolarHBondContact OD1-OD1 2.94Å; D107-T122 PolarHBondContact OD1-OG1 2.96Å; D107-T122 PolarHBondContact OD2-OG1 3.41Å
108Y90.4Very high85Confident1 Ų147.5 Ų47.50%0.00425%0.247CC..Hα-helixtrans-66-42.6176.7-62.3-56.9000112I103 S104 F105 S110 Y111 V112 L234 L238 L273I103-Y108 HydrophobicContact CB-CE1 4.5Å; I103-Y108 HydrophobicContact CB-CE2 4.44Å; I103-Y108 HydrophobicContact CG2-CD1 3.99Å; I103-Y108 HydrophobicContact CG2-CD2 4.22Å; I103-Y108 HydrophobicContact CG2-CE1 3.52Å; I103-Y108 HydrophobicContact CG2-CE2 3.79Å; I103-Y108 HydrophobicContact CG2-CG 4.31Å; I103-Y108 VanDerWaalsContact CG2-CZ 3.43Å; S104-Y108 WeakPolarHBondContact O-CD2 3.18Å; S104-Y108 PolarHBondContact O-N 3.05Å; F105-Y108 PolarHBondContact O-N 3.42Å; F105-Y108 VanDerWaalsContact O-N 3.11Å; Y108-S110 PolarHBondContact O-N 2.99Å; Y108-Y111 PolarHBondContact O-N 3.15Å; Y108-V112 WeakPolarHBondContact O-CG2 3.36Å; Y108-V112 PolarHBondContact O-N 2.95Å; Y108-L234 HydrophobicContact CE1-CD1 3.83Å; Y108-L234 HydrophobicContact CE1-CD2 4.43Å; Y108-L238 HydrophobicContact CD1-CD2 3.72Å; Y108-L238 HydrophobicContact CE1-CD2 4.11Å; Y108-L273 HydrophobicContact CE1-CD1 4.28Å; Y108-L273 HydrophobicContact CE2-CB 4.23Å; Y108-L273 HydrophobicContact CE2-CD1 4.39Å
109Q89.6Confident84.7Confident82 Ų8254.1 Ų54.138%0.38328%0.278SS..Hα-helixtrans-59.4-48.1178.1-175.5-177.214.200111.4F105 T106 Y111 V112 I113F105-Q109 HydrophobicContact CE1-CB 4.27Å; F105-Q109 HydrophobicContact CZ-CB 4.45Å; F105-Q109 WeakPolarHBondContact O-CB 3.2Å; F105-Q109 PolarHBondContact O-N 2.96Å; T106-Q109 PolarHBondContact O-N 2.55Å; Q109-Y111 PolarHBondContact O-N 3.25Å; Q109-V112 PolarHBondContact O-N 3.27Å; Q109-I113 HydrophobicContact CG-CD1 3.79Å; Q109-I113 HydrophobicContact CG-CG1 4.49Å; Q109-I113 VanDerWaalsContact O-CG1 3.31Å; Q109-I113 WeakPolarHBondContact O-CG1 3.33Å; Q109-I113 PolarHBondContact O-N 3.04Å
110S89.4Confident84.4Confident32 Ų3253.6 Ų53.622%0.22428%0.275CS..Hα-helixtrans-56.8-49176.6172.70000111.3T106 Y108 V112 I113 H114T106-S110 VanDerWaalsContact O-CB 3.25Å; T106-S110 WeakPolarHBondContact O-CB 3.44Å; T106-S110 PolarHBondContact O-N 3.15Å; Y108-S110 PolarHBondContact O-N 2.99Å; S110-V112 VanDerWaalsContact C-N 3.31Å; S110-V112 PolarHBondContact O-N 3.5Å; S110-I113 PolarHBondContact O-N 2.96Å; S110-H114 PolarHBondContact O-CD2 3.5Å; S110-H114 PolarHBondContact O-N 2.71Å
111Y89.3Confident84.1Confident26 Ų2656.5 Ų56.510%0.10229%0.294CS..Hα-helixtrans-59.1-41.6178.4-178-97.2000112.7D107 Y108 Q109 G115 L117 L123 L238 I242D107-Y111 PolarHBondContact O-N 3.49Å; D107-Y111 VanDerWaalsContact O-N 3.11Å; Y108-Y111 PolarHBondContact O-N 3.15Å; Q109-Y111 PolarHBondContact O-N 3.25Å; Y111-G115 WeakPolarHBondContact O-CA 3.4Å; Y111-G115 PolarHBondContact O-N 3.44Å; Y111-L117 HydrophobicContact CD2-CD2 3.8Å; Y111-L117 HydrophobicContact CD2-CG 4.2Å; Y111-L117 HydrophobicContact CE2-CD2 4.1Å; Y111-L117 HydrophobicContact CE2-CG 4.12Å; Y111-L123 HydrophobicContact CD1-CD2 4.46Å; Y111-L123 HydrophobicContact CD2-CD2 3.7Å; Y111-L123 HydrophobicContact CE2-CD2 4.41Å; Y111-L123 HydrophobicContact CG-CD2 3.71Å; Y111-L238 HydrophobicContact CD1-CB 4.42Å; Y111-L238 HydrophobicContact CD1-CD1 4.43Å; Y111-L238 HydrophobicContact CD1-CD2 3.93Å; Y111-L238 HydrophobicContact CD1-CG 4.49Å; Y111-L238 HydrophobicContact CE1-CB 3.89Å; Y111-L238 HydrophobicContact CE1-CD1 4.09Å; Y111-L238 HydrophobicContact CE1-CD2 4.22Å; Y111-L238 HydrophobicContact CE1-CG 4.29Å; Y111-I242 HydrophobicContact CD1-CD1 4.25Å; Y111-I242 HydrophobicContact CE1-CD1 3.48Å; Y111-I242 VanDerWaalsContact CE1-CD1 3.48Å; Y111-I242 HydrophobicContact CE1-CG1 4.22Å
112V89.9Confident84Confident5 Ų551.6 Ų51.63%0.0328%0.278CS..Hα-helixtrans-68.5-42.1-179.6172.10000111.9Y108 Q109 S110 L241 H245 F270Y108-V112 WeakPolarHBondContact O-CG2 3.36Å; Y108-V112 PolarHBondContact O-N 2.95Å; Q109-V112 PolarHBondContact O-N 3.27Å; S110-V112 VanDerWaalsContact C-N 3.31Å; S110-V112 PolarHBondContact O-N 3.5Å; V112-L241 HydrophobicContact CG2-CB 3.53Å; V112-L241 HydrophobicContact CG2-CD1 4.1Å; V112-L241 HydrophobicContact CG2-CG 4.35Å; V112-H245 HydrophobicContact CG1-CB 3.38Å; V112-H245 PolarHBondContact O-CD2 3.23Å; V112-H245 VanDerWaalsContact O-CD2 3.29Å; V112-F270 HydrophobicContact CG2-CZ 4.35Å
113I87.7Confident84.2Confident93 Ų9348.2 Ų48.248%0.47727%0.265SS..Hα-helixtrans-65-43.5178.3-70.6169.6000111Q109 S110Q109-I113 HydrophobicContact CG-CD1 3.79Å; Q109-I113 HydrophobicContact CG-CG1 4.49Å; Q109-I113 VanDerWaalsContact O-CG1 3.31Å; Q109-I113 WeakPolarHBondContact O-CG1 3.33Å; Q109-I113 PolarHBondContact O-N 3.04Å; S110-I113 PolarHBondContact O-N 2.96Å
114H85.4Confident84Confident101 Ų10151.3 Ų51.347%0.46828%0.279SS..Hα-helixtrans-85.5-17.4-176.9-65.8-58.2000113.5S110 C116 V118S110-H114 PolarHBondContact O-CD2 3.5Å; S110-H114 PolarHBondContact O-N 2.71Å; H114-C116 PolarHBondContact O-N 3.29Å; H114-C116 VanDerWaalsContact O-N 3.15Å; H114-C116 PolarHBondContact O-SG 2.85Å; H114-V118 HydrophobicContact CB-CB 4.39Å; H114-V118 HydrophobicContact CB-CG2 3.77Å
115G79Confident84Confident41 Ų4155.9 Ų55.942%0.42329%0.294SS..SBendtrans65.48.3-173.900000114.2Y111Y111-G115 WeakPolarHBondContact O-CA 3.4Å; Y111-G115 PolarHBondContact O-N 3.44Å
116C79.1Confident84Confident64 Ų6452.1 Ų52.143%0.43228%0.278SS..SBendtrans-158.8172-179.161.30000110.3H114 V118H114-C116 PolarHBondContact O-N 3.29Å; H114-C116 VanDerWaalsContact O-N 3.15Å; H114-C116 PolarHBondContact O-SG 2.85Å; C116-V118 PolarHBondContact O-N 3.04Å
117L80.5Confident84Confident51 Ų5149.7 Ų49.727%0.26726%0.263SS..  trans-73.9114.8174.9-66.4170.5000110.4Y111 N120 L123 E124 I127 V341Y111-L117 HydrophobicContact CD2-CD2 3.8Å; Y111-L117 HydrophobicContact CD2-CG 4.2Å; Y111-L117 HydrophobicContact CE2-CD2 4.1Å; Y111-L117 HydrophobicContact CE2-CG 4.12Å; L117-N120 HydrophobicContact CD2-CB 4.4Å; L117-L123 HydrophobicContact CD2-CB 4.08Å; L117-L123 HydrophobicContact CD2-CD2 3.7Å; L117-L123 HydrophobicContact CD2-CG 3.8Å; L117-E124 HydrophobicContact CD1-CB 4.3Å; L117-E124 HydrophobicContact CD1-CG 4.21Å; L117-I127 HydrophobicContact CD1-CD1 3.77Å; L117-I127 HydrophobicContact CD2-CD1 4.02Å; L117-I127 HydrophobicContact CG-CD1 4.28Å; L117-V341 HydrophobicContact CD1-CB 4.34Å; L117-V341 HydrophobicContact CD1-CG1 3.96Å; L117-V341 HydrophobicContact CD1-CG2 3.42Å; L117-V341 VanDerWaalsContact CD1-CG2 3.42Å
118V76.6Confident83.8Confident55 Ų5549.6 Ų49.633%0.33327%0.265SS..SBendtrans-129.4116.2172.1-177.10000107.4H114 C116 N120H114-V118 HydrophobicContact CB-CB 4.39Å; H114-V118 HydrophobicContact CB-CG2 3.77Å; C116-V118 PolarHBondContact O-N 3.04Å; V118-N120 PolarHBondContact O-N 3.24Å
119E76.3Confident83.5Confident192 Ų19251 Ų5190%0.89727%0.273SS*.SBendtrans4936.9176.7-59.3-173.3159.900114.6P121E119-P121 VanDerWaalsContact C-CD 3.49Å; E119-P121 WeakPolarHBondContact O-CD 3.25Å
120N80.3Confident83.6Confident4 Ų447 Ų472%0.02125%0.254CS..  trans-118.974.1-173.8-170.6-20.1000112D107 L117 V118 T122 L123 E124D107-N120 WeakPolarHBondContact CA-ND2 3.39Å; D107-N120 WeakPolarHBondContact CB-OD1 3.35Å; D107-N120 PolarHBondContact O-ND2 3.31Å; D107-N120 PolarHBondContact OD1-OD1 2.94Å; L117-N120 HydrophobicContact CD2-CB 4.4Å; V118-N120 PolarHBondContact O-N 3.24Å; N120-T122 VanDerWaalsContact C-N 3.28Å; N120-T122 PolarHBondContact O-N 2.97Å; N120-T122 PolarHBondContact OD1-OG1 2.94Å; N120-L123 WeakPolarHBondContact OD1-CB 3.22Å; N120-L123 PolarHBondContact OD1-N 2.89Å; N120-E124 VanDerWaalsContact O-CB 3.24Å; N120-E124 WeakPolarHBondContact O-CB 3.38Å; N120-E124 PolarHBondContact O-N 3.01Å
121P79.6Confident83.4Confident69 Ų6947 Ų4745%0.44825%0.252SS..Hα-helixtrans-71.6-19.5-169.329.4-37.3000113.8E119 R125E119-P121 VanDerWaalsContact C-CD 3.49Å; E119-P121 WeakPolarHBondContact O-CD 3.25Å; P121-R125 WeakPolarHBondContact O-CB 3.2Å; P121-R125 PolarHBondContact O-N 2.96Å; P121-R125 PolarHBondContact O-NE 3.4Å; P121-R125 PolarHBondContact O-NH2 2.84Å
122T82.1Confident83.2Confident22 Ų2246.1 Ų46.114%0.13525%0.25CS..Hα-helixtrans-75.6-50.3177.744.10000111.1R102 D107 N120 R125 S126R102-T122 HydrophobicContact CB-CG2 4.5Å; D107-T122 PolarHBondContact OD1-OG1 2.96Å; D107-T122 PolarHBondContact OD2-OG1 3.41Å; N120-T122 VanDerWaalsContact C-N 3.28Å; N120-T122 PolarHBondContact O-N 2.97Å; N120-T122 PolarHBondContact OD1-OG1 2.94Å; T122-R125 PolarHBondContact O-N 3.03Å; T122-S126 PolarHBondContact O-N 3.24Å
123L84.7Confident83.2Confident0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-65.8-41.8175.7-175.458.1000111I103 Y111 L117 N120 R125 S126 I127 L234 L238I103-L123 HydrophobicContact CD1-CD1 4Å; Y111-L123 HydrophobicContact CD1-CD2 4.46Å; Y111-L123 HydrophobicContact CD2-CD2 3.7Å; Y111-L123 HydrophobicContact CE2-CD2 4.41Å; Y111-L123 HydrophobicContact CG-CD2 3.71Å; L117-L123 HydrophobicContact CD2-CB 4.08Å; L117-L123 HydrophobicContact CD2-CD2 3.7Å; L117-L123 HydrophobicContact CD2-CG 3.8Å; N120-L123 WeakPolarHBondContact OD1-CB 3.22Å; N120-L123 PolarHBondContact OD1-N 2.89Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.34Å; L123-S126 WeakPolarHBondContact O-CB 3.43Å; L123-S126 PolarHBondContact O-N 2.99Å; L123-I127 HydrophobicContact CD1-CD1 4.4Å; L123-I127 HydrophobicContact CG-CD1 4.02Å; L123-I127 WeakPolarHBondContact O-CG1 3.35Å; L123-I127 PolarHBondContact O-N 3.29Å; L123-L234 HydrophobicContact CD1-CD2 3.67Å; L123-L238 HydrophobicContact CD1-CD1 4.2Å; L123-L238 HydrophobicContact CD2-CD1 4.44Å
124E81.7Confident83.4Confident65 Ų6541.6 Ų41.630%0.30423%0.227SC..Hα-helixtrans-56.8-44.9175.4-167-170.5176.400111.8L117 N120 S126 I127 A128 V341 T343L117-E124 HydrophobicContact CD1-CB 4.3Å; L117-E124 HydrophobicContact CD1-CG 4.21Å; N120-E124 VanDerWaalsContact O-CB 3.24Å; N120-E124 WeakPolarHBondContact O-CB 3.38Å; N120-E124 PolarHBondContact O-N 3.01Å; E124-S126 VanDerWaalsContact C-N 3.31Å; E124-S126 PolarHBondContact O-N 3.33Å; E124-I127 PolarHBondContact O-N 2.92Å; E124-A128 WeakPolarHBondContact O-CB 3.49Å; E124-A128 PolarHBondContact O-N 3.38Å; E124-V341 HydrophobicContact CG-CG1 3.65Å; E124-T343 HydrophobicContact CG-CG2 3.52Å; E124-T343 WeakPolarHBondContact OE1-CG2 3.47Å
125R82.4Confident83.3Confident113 Ų11338.1 Ų38.143%0.42621%0.211SC..Hα-helixtrans-61.4-36.7174.3-104.2179.9-82.9100.9-1.4113.3P121 T122 L123 L129P121-R125 WeakPolarHBondContact O-CB 3.2Å; P121-R125 PolarHBondContact O-N 2.96Å; P121-R125 PolarHBondContact O-NE 3.4Å; P121-R125 PolarHBondContact O-NH2 2.84Å; T122-R125 PolarHBondContact O-N 3.03Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.34Å; R125-L129 WeakPolarHBondContact O-CB 3.31Å; R125-L129 PolarHBondContact O-N 3.49Å
126S87.6Confident83.7Confident2 Ų236.5 Ų36.51%0.01419%0.192CC..Hα-helixtrans-69.8-38.4178-147.70000112S99 T122 L123 E124 L129 F130S99-S126 VanDerWaalsContact OG-CA 3.24Å; S99-S126 WeakPolarHBondContact OG-CA 3.37Å; S99-S126 VanDerWaalsContact OG-CB 3.24Å; S99-S126 WeakPolarHBondContact OG-CB 3.42Å; S99-S126 PolarHBondContact OG-OG 3.34Å; T122-S126 PolarHBondContact O-N 3.24Å; L123-S126 WeakPolarHBondContact O-CB 3.43Å; L123-S126 PolarHBondContact O-N 2.99Å; E124-S126 VanDerWaalsContact C-N 3.31Å; E124-S126 PolarHBondContact O-N 3.33Å; S126-L129 PolarHBondContact O-N 3.33Å; S126-F130 PolarHBondContact O-N 3.22Å
127I85.6Confident84.3Confident2 Ų233.4 Ų33.41%0.0117%0.172CC..Hα-helixtrans-67.5-41.7175.1-64.7164.2000110.5L117 L123 E124 L129 F130 N131 W337 A338 V341L117-I127 HydrophobicContact CD1-CD1 3.77Å; L117-I127 HydrophobicContact CD2-CD1 4.02Å; L117-I127 HydrophobicContact CG-CD1 4.28Å; L123-I127 HydrophobicContact CD1-CD1 4.4Å; L123-I127 HydrophobicContact CG-CD1 4.02Å; L123-I127 WeakPolarHBondContact O-CG1 3.35Å; L123-I127 PolarHBondContact O-N 3.29Å; E124-I127 PolarHBondContact O-N 2.92Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 3.41Å; I127-F130 WeakPolarHBondContact O-CB 3.43Å; I127-F130 PolarHBondContact O-N 3.45Å; I127-N131 PolarHBondContact O-N 2.96Å; I127-W337 HydrophobicContact CD1-CZ3 4.15Å; I127-W337 HydrophobicContact CG1-CH2 4.05Å; I127-W337 HydrophobicContact CG1-CZ3 3.62Å; I127-A338 HydrophobicContact CG2-CB 3.79Å; I127-V341 HydrophobicContact CB-CG1 4.41Å; I127-V341 HydrophobicContact CD1-CG2 4.46Å; I127-V341 HydrophobicContact CG2-CB 3.8Å; I127-V341 HydrophobicContact CG2-CG1 4.13Å; I127-V341 HydrophobicContact CG2-CG2 3.75Å
128A82.1Confident84.7Confident21 Ų2131.3 Ų31.317%0.17416%0.161CC..Hα-helixtrans-61.5-41.1174.900000112.1E124 N131 G132 T343E124-A128 WeakPolarHBondContact O-CB 3.49Å; E124-A128 PolarHBondContact O-N 3.38Å; A128-N131 PolarHBondContact O-N 2.94Å; A128-G132 PolarHBondContact O-N 3.24Å; A128-T343 HydrophobicContact CB-CG2 3.62Å; A128-T343 WeakPolarHBondContact CB-OG1 3.23Å
129L85Confident84.9Confident30 Ų3028.8 Ų28.816%0.15715%0.145CC..Hα-helixtrans-60.9-46.6173.9178.763.2000111.5L95 E96 R125 S126 I127 G132 I133 L297L95-L129 HydrophobicContact CB-CD2 4.38Å; E96-L129 WeakPolarHBondContact OE2-CD2 3.48Å; R125-L129 WeakPolarHBondContact O-CB 3.31Å; R125-L129 PolarHBondContact O-N 3.49Å; S126-L129 PolarHBondContact O-N 3.33Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 3.41Å; L129-G132 PolarHBondContact O-N 2.92Å; L129-I133 HydrophobicContact CD1-CD1 4.1Å; L129-I133 HydrophobicContact CD1-CG1 4.38Å; L129-I133 HydrophobicContact CG-CD1 4.03Å; L129-I133 WeakPolarHBondContact O-CD1 3Å; L129-I133 VanDerWaalsContact O-CG1 3.26Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 3.34Å; L129-L297 HydrophobicContact CD1-CD1 3.81Å
130F90.6Very high85.3Confident0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-57.6-49.9176.8174.2-90.1000111.8S126 I127 I133 S134 N171 M174 A175 L335 W337 A338S126-F130 PolarHBondContact O-N 3.22Å; I127-F130 WeakPolarHBondContact O-CB 3.43Å; I127-F130 PolarHBondContact O-N 3.45Å; F130-I133 PolarHBondContact O-N 3.17Å; F130-S134 PolarHBondContact O-N 3.21Å; F130-S134 PolarHBondContact O-OG 3.12Å; F130-N171 WeakPolarHBondContact CE2-O 3.34Å; F130-M174 HydrophobicContact CE2-CB 4.21Å; F130-M174 HydrophobicContact CE2-CG 4.12Å; F130-M174 HydrophobicContact CZ-CG 4.04Å; F130-A175 HydrophobicContact CD2-CB 3.7Å; F130-A175 HydrophobicContact CE2-CB 3.68Å; F130-A175 HydrophobicContact CG-CB 4.34Å; F130-A175 HydrophobicContact CZ-CB 4.3Å; F130-L335 HydrophobicContact CD1-CD2 4.43Å; F130-L335 HydrophobicContact CE1-CD2 3.46Å; F130-L335 VanDerWaalsContact CE1-CD2 3.46Å; F130-L335 HydrophobicContact CE1-CG 3.69Å; F130-L335 HydrophobicContact CZ-CD2 3.88Å; F130-L335 HydrophobicContact CZ-CG 3.87Å; F130-W337 AromaticContact CD1-CZ2 3.97Å; F130-W337 HydrophobicContact CD1-CZ2 3.97Å; F130-W337 HydrophobicContact CD2-CZ2 4.11Å; F130-W337 HydrophobicContact CE1-CZ2 4.08Å; F130-W337 AromaticContact CE1-NE1 3.89Å; F130-W337 HydrophobicContact CE2-CZ2 4.23Å; F130-W337 AromaticContact CG-CZ2 3.99Å; F130-W337 HydrophobicContact CG-CZ2 3.99Å; F130-W337 HydrophobicContact CZ-CZ2 4.23Å; F130-W337 AromaticContact CZ-NE1 3.86Å; F130-A338 HydrophobicContact CD1-CB 3.84Å; F130-A338 HydrophobicContact CE1-CB 3.98Å
131N86.9Confident85.6Confident31 Ų3119.5 Ų19.517%0.16610%0.101CC..Hα-helixtrans-64-43.1177.6-73.9-19000112.1I127 A128 I133 S134 Q135 A338I127-N131 PolarHBondContact O-N 2.96Å; A128-N131 PolarHBondContact O-N 2.94Å; N131-I133 VanDerWaalsContact C-N 3.29Å; N131-I133 PolarHBondContact O-N 3.39Å; N131-S134 PolarHBondContact O-N 3.46Å; N131-S134 VanDerWaalsContact O-N 3.15Å; N131-Q135 WeakPolarHBondContact O-CG 3.15Å; N131-Q135 PolarHBondContact O-N 3.47Å; N131-A338 PolarHBondContact ND2-O 2.95Å; N131-A338 WeakPolarHBondContact OD1-CB 3.42Å
132G84.1Confident85.8Confident7 Ų716.2 Ų16.27%0.0728%0.08CC..Hα-helixtrans-59.9-38.4177.800000112.1A128 L129 Q135 W136A128-G132 PolarHBondContact O-N 3.24Å; L129-G132 PolarHBondContact O-N 2.92Å; G132-Q135 PolarHBondContact O-N 2.9Å; G132-W136 WeakPolarHBondContact O-CB 3.4Å; G132-W136 PolarHBondContact O-N 3.29Å
133I89.6Confident85.6Confident0 Ų016.7 Ų16.70%08%0.084CC..Hα-helixtrans-64.3-46.5174-68162.6000110.8L92 L129 F130 N131 Q135 W136 V137 T172 A175 V176 L297L92-I133 HydrophobicContact CD2-CD1 4.35Å; L92-I133 HydrophobicContact CD2-CG1 4.27Å; L129-I133 HydrophobicContact CD1-CD1 4.1Å; L129-I133 HydrophobicContact CD1-CG1 4.38Å; L129-I133 HydrophobicContact CG-CD1 4.03Å; L129-I133 WeakPolarHBondContact O-CD1 3Å; L129-I133 VanDerWaalsContact O-CG1 3.26Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 3.34Å; F130-I133 PolarHBondContact O-N 3.17Å; N131-I133 VanDerWaalsContact C-N 3.29Å; N131-I133 PolarHBondContact O-N 3.39Å; I133-Q135 PolarHBondContact O-N 3.32Å; I133-W136 PolarHBondContact O-N 3.4Å; I133-V137 VanDerWaalsContact O-CG2 3.29Å; I133-V137 WeakPolarHBondContact O-CG2 3.4Å; I133-V137 PolarHBondContact O-N 2.81Å; I133-T172 HydrophobicContact CD1-CG2 4.27Å; I133-T172 HydrophobicContact CG2-CG2 4.43Å; I133-A175 HydrophobicContact CB-CB 4.1Å; I133-A175 HydrophobicContact CG2-CB 3.81Å; I133-V176 HydrophobicContact CG2-CG2 4.08Å; I133-L297 HydrophobicContact CB-CD2 4.23Å; I133-L297 HydrophobicContact CG1-CD1 4.02Å; I133-L297 HydrophobicContact CG1-CD2 3.64Å; I133-L297 HydrophobicContact CG1-CG 4.48Å
134S91.4Very high85.3Confident4 Ų418.5 Ų18.53%0.0289%0.092CC..Hα-helixtrans-61.8-41.9177.7-64.40000112.6F130 N131 Q138 A175 L335F130-S134 PolarHBondContact O-N 3.21Å; F130-S134 PolarHBondContact O-OG 3.12Å; N131-S134 PolarHBondContact O-N 3.46Å; N131-S134 VanDerWaalsContact O-N 3.15Å; S134-Q138 VanDerWaalsContact O-CG 3.27Å; S134-Q138 WeakPolarHBondContact O-CG 3.49Å; S134-Q138 PolarHBondContact O-N 3.45Å; S134-Q138 PolarHBondContact O-NE2 3.36Å; S134-A175 WeakPolarHBondContact OG-CA 3.32Å; S134-A175 PolarHBondContact OG-O 3Å; S134-L335 WeakPolarHBondContact OG-CD2 3.36Å
135Q85.3Confident85.2Confident28 Ų2821.4 Ų21.413%0.13111%0.109CC..Hα-helixtrans-69.6-42.6177.1-70.7-173.9-1000111.6N131 G132 I133 V137 Q138 L139 Y301 I306N131-Q135 WeakPolarHBondContact O-CG 3.15Å; N131-Q135 PolarHBondContact O-N 3.47Å; G132-Q135 PolarHBondContact O-N 2.9Å; I133-Q135 PolarHBondContact O-N 3.32Å; Q135-V137 VanDerWaalsContact C-N 3.32Å; Q135-V137 PolarHBondContact O-N 2.86Å; Q135-Q138 WeakPolarHBondContact O-CB 3.39Å; Q135-Q138 PolarHBondContact O-N 2.84Å; Q135-L139 VanDerWaalsContact O-CG 3.31Å; Q135-L139 WeakPolarHBondContact O-CG 3.27Å; Q135-L139 PolarHBondContact O-N 3.05Å; Q135-Y301 PolarHBondContact NE2-O 2.95Å; Q135-I306 HydrophobicContact CB-CD1 4.39Å; Q135-I306 HydrophobicContact CG-CD1 4.07Å
136W86.2Confident85.3Confident6 Ų619 Ų192%0.02311%0.107CC..Hα-helixtrans-58.8-43.2177.1178.467.9000111.9F80 L88 G132 I133 Q138 L139 M140 Y157 L293 L297F80-W136 AromaticContact CD2-CH2 3.96Å; F80-W136 HydrophobicContact CD2-CH2 3.96Å; F80-W136 HydrophobicContact CD2-CZ2 4.01Å; F80-W136 AromaticContact CE2-CH2 3.86Å; F80-W136 HydrophobicContact CE2-CH2 3.86Å; F80-W136 HydrophobicContact CE2-CZ2 4.23Å; L88-W136 HydrophobicContact CD1-CH2 3.92Å; L88-W136 HydrophobicContact CD1-CZ3 4.3Å; L88-W136 HydrophobicContact CD2-CH2 3.98Å; L88-W136 HydrophobicContact CD2-CZ3 4.29Å; G132-W136 WeakPolarHBondContact O-CB 3.4Å; G132-W136 PolarHBondContact O-N 3.29Å; I133-W136 PolarHBondContact O-N 3.4Å; W136-Q138 VanDerWaalsContact C-N 3.32Å; W136-Q138 PolarHBondContact O-N 3.38Å; W136-L139 PolarHBondContact O-N 3.26Å; W136-M140 HydrophobicContact CD2-CG 4.13Å; W136-M140 HydrophobicContact CG-CG 4.24Å; W136-M140 HydrophobicContact CZ2-CG 4.13Å; W136-M140 VanDerWaalsContact O-CB 3.29Å; W136-M140 WeakPolarHBondContact O-CB 3.29Å; W136-M140 WeakPolarHBondContact O-CG 3.4Å; W136-M140 PolarHBondContact O-N 3.06Å; W136-Y157 HydrophobicContact CE3-CE1 4.35Å; W136-Y157 HydrophobicContact CH2-CE1 4.27Å; W136-Y157 VanDerWaalsContact CH2-OH 3.28Å; W136-Y157 WeakPolarHBondContact CH2-OH 3.39Å; W136-Y157 AromaticContact CZ3-CE1 3.77Å; W136-Y157 HydrophobicContact CZ3-CE1 3.77Å; W136-Y157 AromaticContact CZ3-CZ 3.97Å; W136-Y157 VanDerWaalsContact CZ3-OH 3.22Å; W136-Y157 WeakPolarHBondContact CZ3-OH 3.45Å; W136-L293 HydrophobicContact CH2-CD2 3.82Å; W136-L293 HydrophobicContact CZ2-CD2 3.94Å; W136-L293 HydrophobicContact CZ3-CD2 4.42Å; W136-L297 HydrophobicContact CB-CD2 3.62Å; W136-L297 HydrophobicContact CD2-CD2 4Å; W136-L297 HydrophobicContact CE3-CD2 4.06Å; W136-L297 HydrophobicContact CG-CD2 3.83Å
137V91.4Very high85.4Confident0 Ų020.1 Ų20.10%011%0.114CC..Hα-helixtrans-56.7-46.8172.9169.80000111.2I133 Q135 M140 V141 Y157 V176 L180I133-V137 VanDerWaalsContact O-CG2 3.29Å; I133-V137 WeakPolarHBondContact O-CG2 3.4Å; I133-V137 PolarHBondContact O-N 2.81Å; Q135-V137 VanDerWaalsContact C-N 3.32Å; Q135-V137 PolarHBondContact O-N 2.86Å; V137-M140 PolarHBondContact O-N 3.31Å; V137-V141 WeakPolarHBondContact O-CG2 3.44Å; V137-V141 PolarHBondContact O-N 3.11Å; V137-V141 VanDerWaalsContact O-N 3.11Å; V137-Y157 HydrophobicContact CB-CE2 4.45Å; V137-Y157 HydrophobicContact CG1-CD2 3.99Å; V137-Y157 HydrophobicContact CG1-CE2 4.21Å; V137-Y157 HydrophobicContact CG1-CG 4.16Å; V137-Y157 HydrophobicContact CG2-CD1 3.94Å; V137-Y157 HydrophobicContact CG2-CE1 3.73Å; V137-Y157 HydrophobicContact CG2-CE2 4.39Å; V137-Y157 HydrophobicContact CG2-CG 4.37Å; V137-V176 HydrophobicContact CG2-CG1 4.36Å; V137-V176 HydrophobicContact CG2-CG2 4.21Å; V137-L180 HydrophobicContact CG1-CD2 3.6Å; V137-L180 HydrophobicContact CG1-CG 3.88Å
138Q88.4Confident85.8Confident7 Ų723.8 Ų23.83%0.03313%0.132CC..Hα-helixtrans-62.6-46.6179.3-65.3167.756.400111.8S134 Q135 W136 V141 L142 G179 H182 I185 I306S134-Q138 VanDerWaalsContact O-CG 3.27Å; S134-Q138 WeakPolarHBondContact O-CG 3.49Å; S134-Q138 PolarHBondContact O-N 3.45Å; S134-Q138 PolarHBondContact O-NE2 3.36Å; Q135-Q138 WeakPolarHBondContact O-CB 3.39Å; Q135-Q138 PolarHBondContact O-N 2.84Å; W136-Q138 VanDerWaalsContact C-N 3.32Å; W136-Q138 PolarHBondContact O-N 3.38Å; Q138-V141 PolarHBondContact O-N 3.47Å; Q138-L142 WeakPolarHBondContact O-CB 3.41Å; Q138-L142 VanDerWaalsContact O-CG 3.32Å; Q138-L142 WeakPolarHBondContact O-CG 3.37Å; Q138-L142 PolarHBondContact O-N 2.95Å; Q138-G179 VanDerWaalsContact CG-O 3.31Å; Q138-G179 WeakPolarHBondContact CG-O 3.45Å; Q138-H182 HydrophobicContact CG-CB 4.18Å; Q138-H182 PolarHBondContact OE1-ND1 2.77Å; Q138-I185 HydrophobicContact CB-CD1 4.29Å; Q138-I185 HydrophobicContact CB-CG1 4.28Å; Q138-I185 HydrophobicContact CG-CG1 3.98Å; Q138-I306 HydrophobicContact CB-CG2 4.11Å
139L82.3Confident86.1Confident1 Ų125 Ų251%0.00514%0.137CC..Hα-helixtrans-66.5-37.6-179.8-66.2168.7000111.9Q135 W136 V141 L142 S143 Y301 I306 L309 P386 F387Q135-L139 VanDerWaalsContact O-CG 3.31Å; Q135-L139 WeakPolarHBondContact O-CG 3.27Å; Q135-L139 PolarHBondContact O-N 3.05Å; W136-L139 PolarHBondContact O-N 3.26Å; L139-V141 VanDerWaalsContact C-N 3.31Å; L139-V141 PolarHBondContact O-N 3.48Å; L139-L142 CarbonylContact O-C 3.53Å; L139-L142 PolarHBondContact O-N 3.22Å; L139-S143 VanDerWaalsContact O-CB 3.3Å; L139-S143 WeakPolarHBondContact O-CB 3.36Å; L139-S143 PolarHBondContact O-N 3.46Å; L139-Y301 HydrophobicContact CD1-CD2 3.35Å; L139-Y301 HydrophobicContact CD1-CE2 3.65Å; L139-Y301 HydrophobicContact CD1-CG 4.04Å; L139-Y301 HydrophobicContact CD2-CD1 4.07Å; L139-Y301 HydrophobicContact CD2-CD2 3.94Å; L139-Y301 HydrophobicContact CD2-CE1 4.26Å; L139-Y301 HydrophobicContact CD2-CE2 4.13Å; L139-Y301 HydrophobicContact CD2-CG 3.9Å; L139-Y301 HydrophobicContact CG-CD2 4.29Å; L139-I306 HydrophobicContact CD2-CG1 4.18Å; L139-L309 HydrophobicContact CD2-CD1 4.19Å; L139-P386 HydrophobicContact CB-CB 4.32Å; L139-P386 HydrophobicContact CB-CG 4.2Å; L139-F387 HydrophobicContact CB-CE2 4.2Å; L139-F387 HydrophobicContact CD2-CE2 3.75Å; L139-F387 HydrophobicContact CD2-CZ 4.41Å; L139-F387 HydrophobicContact CG-CE2 4.48Å
140M83.3Confident86.5Confident1 Ų123.6 Ų23.61%0.00513%0.129CC..Hα-helixtrans-66.5-33.1176-73.5-63-6600112.5F80 W136 V137 S143 V153 Y157 P386F80-M140 HydrophobicContact CB-CE 3.84Å; F80-M140 HydrophobicContact CD1-CE 3.41Å; F80-M140 VanDerWaalsContact CD1-CE 3.41Å; F80-M140 HydrophobicContact CD2-CE 3.76Å; F80-M140 HydrophobicContact CE1-CE 3.85Å; F80-M140 HydrophobicContact CE2-CE 4.16Å; F80-M140 HydrophobicContact CG-CE 3.36Å; F80-M140 HydrophobicContact CZ-CE 4.21Å; W136-M140 HydrophobicContact CD2-CG 4.13Å; W136-M140 HydrophobicContact CG-CG 4.24Å; W136-M140 HydrophobicContact CZ2-CG 4.13Å; W136-M140 VanDerWaalsContact O-CB 3.29Å; W136-M140 WeakPolarHBondContact O-CB 3.29Å; W136-M140 WeakPolarHBondContact O-CG 3.4Å; W136-M140 PolarHBondContact O-N 3.06Å; V137-M140 PolarHBondContact O-N 3.31Å; M140-S143 PolarHBondContact O-OG 3.16Å; M140-V153 HydrophobicContact CB-CG1 4.49Å; M140-Y157 HydrophobicContact CB-CE2 3.89Å; M140-Y157 WeakPolarHBondContact CB-OH 3.31Å; M140-Y157 WeakPolarHBondContact CG-OH 3.22Å; M140-P386 HydrophobicContact CG-CG 4.39Å; M140-P386 HydrophobicContact SD-CB 4.08Å; M140-P386 HydrophobicContact SD-CG 3.74Å
141V88.4Confident86.8Confident0 Ų023.9 Ų23.90%013%0.131CC..Hα-helixtrans-70.8-48.8170.2174.70000110V137 Q138 L139 S143 K144 R150 V153 I154 L180 I185 L188V137-V141 WeakPolarHBondContact O-CG2 3.44Å; V137-V141 PolarHBondContact O-N 3.11Å; V137-V141 VanDerWaalsContact O-N 3.11Å; Q138-V141 PolarHBondContact O-N 3.47Å; L139-V141 VanDerWaalsContact C-N 3.31Å; L139-V141 PolarHBondContact O-N 3.48Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 3.4Å; V141-K144 PolarHBondContact O-N 3.09Å; V141-R150 HydrophobicContact CG1-CB 4.28Å; V141-R150 HydrophobicContact CG1-CG 4.46Å; V141-R150 WeakPolarHBondContact O-CD 3.49Å; V141-R150 VanDerWaalsContact O-CG 3.28Å; V141-R150 WeakPolarHBondContact O-CG 3.42Å; V141-V153 HydrophobicContact CG2-CG1 3.87Å; V141-I154 HydrophobicContact CB-CG1 4.48Å; V141-I154 HydrophobicContact CG1-CD1 3.99Å; V141-I154 HydrophobicContact CG1-CG1 3.85Å; V141-I154 HydrophobicContact CG2-CG1 3.7Å; V141-L180 HydrophobicContact CG2-CD2 4.4Å; V141-I185 HydrophobicContact CB-CD1 4.01Å; V141-I185 HydrophobicContact CG1-CD1 3.94Å; V141-L188 HydrophobicContact CG1-CD1 4.43Å
142L82.5Confident87.1Confident0 Ų028.7 Ų28.70%015%0.153CC..Hα-helixtrans-73-15.1-175.6-67.2173.9000114.3Q138 L139 K144 I185 L188 I306 L309 R313Q138-L142 WeakPolarHBondContact O-CB 3.41Å; Q138-L142 VanDerWaalsContact O-CG 3.32Å; Q138-L142 WeakPolarHBondContact O-CG 3.37Å; Q138-L142 PolarHBondContact O-N 2.95Å; L139-L142 CarbonylContact O-C 3.53Å; L139-L142 PolarHBondContact O-N 3.22Å; L142-K144 VanDerWaalsContact C-N 3.29Å; L142-I185 HydrophobicContact CD1-CD1 4.21Å; L142-I185 HydrophobicContact CD2-CD1 4.11Å; L142-I185 HydrophobicContact CG-CD1 3.83Å; L142-L188 HydrophobicContact CD2-CD1 4Å; L142-I306 HydrophobicContact CD1-CG2 3.64Å; L142-I306 WeakPolarHBondContact CD1-O 3.24Å; L142-L309 HydrophobicContact CD1-CB 4.16Å; L142-R313 HydrophobicContact CD2-CG 4.18Å; L142-R313 PolarHBondContact O-NE 2.93Å; L142-R313 PolarHBondContact O-NH2 2.97Å
143S77.9Confident87.6Confident32 Ų3228.6 Ų28.622%0.22415%0.151CC..Hα-helixtrans-68.2-30.7174.670.10000111.7L139 M140 V141L139-S143 VanDerWaalsContact O-CB 3.3Å; L139-S143 WeakPolarHBondContact O-CB 3.36Å; L139-S143 PolarHBondContact O-N 3.46Å; M140-S143 PolarHBondContact O-OG 3.16Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 3.4Å
144K79.6Confident87.9Confident38 Ų3828.6 Ų28.617%0.16515%0.151CC..  trans-77.9131.9179.5-51.3-65.2-171.6174.70111.3D81 V141 L142 R150 V153D81-K144 IonicContact OD1-NZ 3.98Å; D81-K144 PolarHBondContact OD1-NZ 3Å; D81-K144 IonicContact OD2-NZ 3.75Å; D81-K144 PolarHBondContact OD2-NZ 3.06Å; V141-K144 PolarHBondContact O-N 3.09Å; L142-K144 VanDerWaalsContact C-N 3.29Å; K144-R150 HydrophobicContact CB-CG 3.8Å; K144-R150 WeakPolarHBondContact O-CD 3.4Å; K144-R150 WeakPolarHBondContact O-CG 3.43Å; K144-R150 PolarHBondContact O-NH1 3.44Å; K144-V153 HydrophobicContact CD-CG2 4.32Å; K144-V153 HydrophobicContact CG-CG2 3.77Å
145L79.1Confident88.2Confident127 Ų12729.3 Ų29.367%0.66516%0.157SC*.SBendtrans-77.8-35-170.9-63.7174.9000113.3R150L145-R150 VanDerWaalsContact C-NH1 3.32Å; L145-R150 PolarHBondContact O-NH1 3.31Å
146T83.4Confident88.6Confident62 Ų6229.6 Ų29.638%0.3816%0.158SC..SBendtrans-100.7145.9-17466.70000112.2Q148 T149 R150T146-Q148 PolarHBondContact O-N 3.22Å; T146-T149 PolarHBondContact O-N 3.45Å; T146-T149 PolarHBondContact O-OG1 2.94Å; T146-T149 VanDerWaalsContact O-OG1 3.07Å; T146-T149 WeakPolarHBondContact OG1-CG2 3.18Å; T146-T149 PolarHBondContact OG1-N 3.23Å; T146-T149 PolarHBondContact OG1-OG1 3.01Å; T146-R150 WeakPolarHBondContact O-CG 3.44Å; T146-R150 PolarHBondContact O-N 2.93Å; T146-R150 VanDerWaalsContact O-N 3.07Å
147P91.4Very high89.1Confident25 Ų2529.3 Ų29.316%0.16216%0.157CC..Hα-helixtrans-56.6-35.6178.2-23.531.3000114A151 E190 Y194P147-A151 WeakPolarHBondContact O-CB 3.28Å; P147-A151 PolarHBondContact O-N 3.08Å; P147-E190 HydrophobicContact CB-CB 4.5Å; P147-E190 HydrophobicContact CG-CB 4.49Å; P147-Y194 HydrophobicContact CB-CD2 3.86Å; P147-Y194 HydrophobicContact CB-CE2 3.79Å
148Q94Very high89.4Confident80 Ų8029.4 Ų29.437%0.37416%0.158SC..Hα-helixtrans-66.8-50.1-178.8-5982.6-1.500111.3T146 R150 A151 E152 Y194T146-Q148 PolarHBondContact O-N 3.22Å; Q148-R150 VanDerWaalsContact C-N 3.3Å; Q148-R150 PolarHBondContact O-N 2.79Å; Q148-A151 WeakPolarHBondContact O-CB 3.5Å; Q148-A151 PolarHBondContact O-N 3.02Å; Q148-A151 VanDerWaalsContact O-N 3.09Å; Q148-E152 WeakPolarHBondContact O-CG 3.12Å; Q148-E152 PolarHBondContact O-N 3.26Å; Q148-Y194 HydrophobicContact CG-CD1 3.87Å; Q148-Y194 HydrophobicContact CG-CD2 4.37Å; Q148-Y194 HydrophobicContact CG-CE1 3.8Å; Q148-Y194 HydrophobicContact CG-CE2 4.32Å; Q148-Y194 HydrophobicContact CG-CG 4.17Å; Q148-Y194 VanDerWaalsContact NE2-CZ 3.33Å; Q148-Y194 PolarHBondContact NE2-OH 3.08Å
149T88.1Confident89.9Confident46 Ų4632.3 Ų32.328%0.28217%0.171SC..Hα-helixtrans-67.4-32.2179.255.60000111.7T146 E152 V153T146-T149 PolarHBondContact O-N 3.45Å; T146-T149 PolarHBondContact O-OG1 2.94Å; T146-T149 VanDerWaalsContact O-OG1 3.07Å; T146-T149 WeakPolarHBondContact OG1-CG2 3.18Å; T146-T149 PolarHBondContact OG1-N 3.23Å; T146-T149 PolarHBondContact OG1-OG1 3.01Å; T149-E152 PolarHBondContact O-N 3.16Å; T149-V153 WeakPolarHBondContact O-CG2 3.23Å; T149-V153 PolarHBondContact O-N 3.31Å; T149-V153 VanDerWaalsContact O-N 3.16Å
150R93.1Very high90.6Very high1 Ų132.3 Ų32.30%0.00417%0.171CC..Hα-helixtrans-61.8-44.7169.1-71.9-163.4-63.8-89.66.7112.1V141 K144 L145 T146 Q148 E152 V153 I154 T191 E314V141-R150 HydrophobicContact CG1-CB 4.28Å; V141-R150 HydrophobicContact CG1-CG 4.46Å; V141-R150 WeakPolarHBondContact O-CD 3.49Å; V141-R150 VanDerWaalsContact O-CG 3.28Å; V141-R150 WeakPolarHBondContact O-CG 3.42Å; K144-R150 HydrophobicContact CB-CG 3.8Å; K144-R150 WeakPolarHBondContact O-CD 3.4Å; K144-R150 WeakPolarHBondContact O-CG 3.43Å; K144-R150 PolarHBondContact O-NH1 3.44Å; L145-R150 VanDerWaalsContact C-NH1 3.32Å; L145-R150 PolarHBondContact O-NH1 3.31Å; T146-R150 WeakPolarHBondContact O-CG 3.44Å; T146-R150 PolarHBondContact O-N 2.93Å; T146-R150 VanDerWaalsContact O-N 3.07Å; Q148-R150 VanDerWaalsContact C-N 3.3Å; Q148-R150 PolarHBondContact O-N 2.79Å; R150-E152 VanDerWaalsContact C-N 3.31Å; R150-E152 PolarHBondContact O-N 2.88Å; R150-V153 PolarHBondContact O-N 2.98Å; R150-I154 WeakPolarHBondContact O-CG1 3.37Å; R150-I154 PolarHBondContact O-N 2.85Å; R150-T191 HydrophobicContact CB-CG2 3.56Å; R150-T191 PolarHBondContact NE-OG1 2.93Å; R150-T191 PolarHBondContact NH2-OG1 3.11Å; R150-E314 IonicContact CZ-OE1 3.05Å; R150-E314 IonicContact NE-OE1 3.11Å; R150-E314 IonicContact NH2-OE1 4Å; R150-E314 PolarHBondContact NH2-OE1 2.87Å
151A96.3Very high91.3Very high5 Ų532.3 Ų32.34%0.04117%0.171CC..Hα-helixtrans-63.6-37.417900000111.7P147 Q148 I154 A155 T191 L195P147-A151 WeakPolarHBondContact O-CB 3.28Å; P147-A151 PolarHBondContact O-N 3.08Å; Q148-A151 WeakPolarHBondContact O-CB 3.5Å; Q148-A151 PolarHBondContact O-N 3.02Å; Q148-A151 VanDerWaalsContact O-N 3.09Å; A151-I154 PolarHBondContact O-N 3.44Å; A151-A155 WeakPolarHBondContact O-CB 3.3Å; A151-A155 PolarHBondContact O-N 3.43Å; A151-T191 HydrophobicContact CB-CG2 4.05Å; A151-L195 HydrophobicContact CB-CD2 3.93Å; A151-L195 HydrophobicContact CB-CG 4.33Å; A151-L195 WeakPolarHBondContact O-CD2 3.42Å
152E94.1Very high91.7Very high132 Ų13234.5 Ų34.562%0.61718%0.181SC*.Hα-helixtrans-60.8-44.1172.7-70.3168.3-173.600112.1Q148 T149 R150 A155 K156Q148-E152 WeakPolarHBondContact O-CG 3.12Å; Q148-E152 PolarHBondContact O-N 3.26Å; T149-E152 PolarHBondContact O-N 3.16Å; R150-E152 VanDerWaalsContact C-N 3.31Å; R150-E152 PolarHBondContact O-N 2.88Å; E152-A155 PolarHBondContact O-N 2.65Å; E152-K156 WeakPolarHBondContact O-CB 3.28Å; E152-K156 PolarHBondContact O-N 3.17Å
153V93.4Very high92.4Very high5 Ų538.3 Ų38.33%0.0320%0.198CC..Hα-helixtrans-64.8-43.1175.9175.40000111.6F80 M140 V141 K144 T149 R150 K156 Y157F80-V153 HydrophobicContact CE1-CG1 4.06Å; F80-V153 HydrophobicContact CE1-CG2 4.37Å; F80-V153 HydrophobicContact CZ-CG1 4.27Å; M140-V153 HydrophobicContact CB-CG1 4.49Å; V141-V153 HydrophobicContact CG2-CG1 3.87Å; K144-V153 HydrophobicContact CD-CG2 4.32Å; K144-V153 HydrophobicContact CG-CG2 3.77Å; T149-V153 WeakPolarHBondContact O-CG2 3.23Å; T149-V153 PolarHBondContact O-N 3.31Å; T149-V153 VanDerWaalsContact O-N 3.16Å; R150-V153 PolarHBondContact O-N 2.98Å; V153-K156 WeakPolarHBondContact O-CB 3.44Å; V153-K156 PolarHBondContact O-N 3.13Å; V153-Y157 HydrophobicContact CG1-CD2 3.79Å; V153-Y157 HydrophobicContact CG1-CE2 3.64Å; V153-Y157 WeakPolarHBondContact O-CD2 3.4Å; V153-Y157 PolarHBondContact O-N 3.48Å
154I96.5Very high93.3Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-59-48.7174.7-69.7172.6000110.1V141 R150 A151 K156 Y157 I158 L180 I185 T191 L195 W203V141-I154 HydrophobicContact CB-CG1 4.48Å; V141-I154 HydrophobicContact CG1-CD1 3.99Å; V141-I154 HydrophobicContact CG1-CG1 3.85Å; V141-I154 HydrophobicContact CG2-CG1 3.7Å; R150-I154 WeakPolarHBondContact O-CG1 3.37Å; R150-I154 PolarHBondContact O-N 2.85Å; A151-I154 PolarHBondContact O-N 3.44Å; I154-K156 VanDerWaalsContact C-N 3.3Å; I154-K156 PolarHBondContact O-N 3.34Å; I154-Y157 PolarHBondContact O-N 3.13Å; I154-I158 HydrophobicContact CG2-CD1 3.72Å; I154-I158 WeakPolarHBondContact O-CG1 3.44Å; I154-I158 PolarHBondContact O-N 2.9Å; I154-L180 HydrophobicContact CG1-CD2 4.31Å; I154-L180 HydrophobicContact CG2-CD2 4.34Å; I154-I185 HydrophobicContact CD1-CG2 4.11Å; I154-T191 HydrophobicContact CD1-CG2 3.65Å; I154-L195 HydrophobicContact CB-CD2 4.1Å; I154-L195 HydrophobicContact CG2-CD1 3.98Å; I154-L195 HydrophobicContact CG2-CD2 3.86Å; I154-W203 HydrophobicContact CG2-CE3 4.4Å; I154-W203 HydrophobicContact CG2-CZ3 3.96Å
155A96.8Very high94.1Very high19 Ų1937.2 Ų37.216%0.15719%0.191CC..Hα-helixtrans-58-44.1177.600000111.1A151 E152 Y157 I158 H159 L195 V199A151-A155 WeakPolarHBondContact O-CB 3.3Å; A151-A155 PolarHBondContact O-N 3.43Å; E152-A155 PolarHBondContact O-N 2.65Å; A155-Y157 PolarHBondContact O-N 2.95Å; A155-I158 PolarHBondContact O-N 3.01Å; A155-H159 PolarHBondContact O-N 2.85Å; A155-H159 VanDerWaalsContact O-N 3.08Å; A155-H159 PolarHBondContact O-ND1 3.3Å; A155-L195 HydrophobicContact CB-CD2 4.43Å; A155-V199 HydrophobicContact CB-CG1 3.96Å; A155-V199 HydrophobicContact CB-CG2 4.19Å
156K95.6Very high94.9Very high34 Ų3437.8 Ų37.815%0.14819%0.19CC..Hα-helixtrans-57.8-47.1175.9-173169-171.7156.40112.3F80 D81 L83 P85 E152 V153 I154 I158 H159 V160F80-K156 HydrophobicContact CE1-CD 4.06Å; F80-K156 HydrophobicContact CZ-CD 4.12Å; F80-K156 WeakPolarHBondContact O-CE 3.12Å; F80-K156 PolarHBondContact O-NZ 2.82Å; D81-K156 PolarHBondContact O-NZ 3.48Å; L83-K156 WeakPolarHBondContact O-CE 3.43Å; L83-K156 PolarHBondContact O-NZ 3.32Å; P85-K156 HydrophobicContact CG-CG 4.43Å; E152-K156 WeakPolarHBondContact O-CB 3.28Å; E152-K156 PolarHBondContact O-N 3.17Å; V153-K156 WeakPolarHBondContact O-CB 3.44Å; V153-K156 PolarHBondContact O-N 3.13Å; I154-K156 VanDerWaalsContact C-N 3.3Å; I154-K156 PolarHBondContact O-N 3.34Å; K156-I158 VanDerWaalsContact C-N 3.3Å; K156-I158 PolarHBondContact O-N 3.05Å; K156-H159 WeakPolarHBondContact O-CB 3.41Å; K156-H159 PolarHBondContact O-N 3.16Å; K156-H159 VanDerWaalsContact O-N 3.14Å; K156-V160 WeakPolarHBondContact O-CG2 3.08Å; K156-V160 PolarHBondContact O-N 3.26Å
157Y96.8Very high95.4Very high0 Ų036.9 Ų36.90%018%0.183CC..Hα-helixtrans-66-30.2177.7-81.1-60.7000113.8F80 L88 W136 V137 M140 V153 I154 A155 H159 V160 A161 V176F80-Y157 AromaticContact CE2-CE1 3.93Å; F80-Y157 HydrophobicContact CE2-CE1 3.93Å; F80-Y157 HydrophobicContact CE2-CE2 4.16Å; F80-Y157 AromaticContact CE2-CZ 3.52Å; F80-Y157 WeakPolarHBondContact CE2-OH 3.38Å; F80-Y157 HydrophobicContact CZ-CD2 4.33Å; F80-Y157 HydrophobicContact CZ-CE1 4.08Å; F80-Y157 AromaticContact CZ-CE2 3.62Å; F80-Y157 HydrophobicContact CZ-CE2 3.62Å; F80-Y157 AromaticContact CZ-CZ 3.47Å; F80-Y157 VanDerWaalsContact CZ-CZ 3.47Å; L88-Y157 HydrophobicContact CD2-CE1 4.16Å; W136-Y157 HydrophobicContact CE3-CE1 4.35Å; W136-Y157 HydrophobicContact CH2-CE1 4.27Å; W136-Y157 VanDerWaalsContact CH2-OH 3.28Å; W136-Y157 WeakPolarHBondContact CH2-OH 3.39Å; W136-Y157 AromaticContact CZ3-CE1 3.77Å; W136-Y157 HydrophobicContact CZ3-CE1 3.77Å; W136-Y157 AromaticContact CZ3-CZ 3.97Å; W136-Y157 VanDerWaalsContact CZ3-OH 3.22Å; W136-Y157 WeakPolarHBondContact CZ3-OH 3.45Å; V137-Y157 HydrophobicContact CB-CE2 4.45Å; V137-Y157 HydrophobicContact CG1-CD2 3.99Å; V137-Y157 HydrophobicContact CG1-CE2 4.21Å; V137-Y157 HydrophobicContact CG1-CG 4.16Å; V137-Y157 HydrophobicContact CG2-CD1 3.94Å; V137-Y157 HydrophobicContact CG2-CE1 3.73Å; V137-Y157 HydrophobicContact CG2-CE2 4.39Å; V137-Y157 HydrophobicContact CG2-CG 4.37Å; M140-Y157 HydrophobicContact CB-CE2 3.89Å; M140-Y157 WeakPolarHBondContact CB-OH 3.31Å; M140-Y157 WeakPolarHBondContact CG-OH 3.22Å; V153-Y157 HydrophobicContact CG1-CD2 3.79Å; V153-Y157 HydrophobicContact CG1-CE2 3.64Å; V153-Y157 WeakPolarHBondContact O-CD2 3.4Å; V153-Y157 PolarHBondContact O-N 3.48Å; I154-Y157 PolarHBondContact O-N 3.13Å; A155-Y157 PolarHBondContact O-N 2.95Å; Y157-H159 VanDerWaalsContact C-N 3.35Å; Y157-V160 HydrophobicContact CD1-CG2 4.47Å; Y157-V160 WeakPolarHBondContact O-CB 3.44Å; Y157-V160 PolarHBondContact O-N 3.15Å; Y157-A161 WeakPolarHBondContact O-CB 3.44Å; Y157-A161 PolarHBondContact O-N 3.26Å; Y157-V176 HydrophobicContact CD1-CG1 4.3Å
158I97.8Very high95.6Very high3 Ų338 Ų382%0.01519%0.186CC..Hα-helixtrans-65.4-40.9172.2-68.7161.6000110.5I154 A155 K156 A161 Q162 L180 V199 I202 W203I154-I158 HydrophobicContact CG2-CD1 3.72Å; I154-I158 WeakPolarHBondContact O-CG1 3.44Å; I154-I158 PolarHBondContact O-N 2.9Å; A155-I158 PolarHBondContact O-N 3.01Å; K156-I158 VanDerWaalsContact C-N 3.3Å; K156-I158 PolarHBondContact O-N 3.05Å; I158-A161 WeakPolarHBondContact O-CB 3.29Å; I158-A161 PolarHBondContact O-N 3.14Å; I158-Q162 PolarHBondContact O-N 2.88Å; I158-L180 HydrophobicContact CG1-CD1 3.77Å; I158-V199 HydrophobicContact CB-CG1 4.2Å; I158-V199 HydrophobicContact CD1-CG1 3.3Å; I158-V199 HydrophobicContact CG1-CG1 4.34Å; I158-V199 HydrophobicContact CG2-CG1 4.18Å; I158-I202 HydrophobicContact CG2-CB 3.92Å; I158-I202 HydrophobicContact CG2-CG2 3.46Å; I158-I202 VanDerWaalsContact CG2-CG2 3.46Å; I158-W203 HydrophobicContact CD1-CB 3.82Å; I158-W203 HydrophobicContact CD1-CD2 3.97Å; I158-W203 HydrophobicContact CD1-CE3 3.68Å; I158-W203 HydrophobicContact CD1-CG 4.04Å; I158-W203 HydrophobicContact CD1-CZ3 4.5Å; I158-W203 HydrophobicContact CG1-CB 4.13Å; I158-W203 HydrophobicContact CG1-CD2 4.47Å; I158-W203 HydrophobicContact CG1-CG 4.26Å; I158-W203 HydrophobicContact CG2-CB 4.39Å
159H97.4Very high95.7Very high68 Ų6834.2 Ų34.232%0.31517%0.168SC..Hα-helixtrans-66.6-37.3172.5-63.699.3000112.1P85 A155 K156 Y157 A161 Q162 K163P85-H159 HydrophobicContact CB-CB 3.98Å; P85-H159 HydrophobicContact CG-CB 4.02Å; A155-H159 PolarHBondContact O-N 2.85Å; A155-H159 VanDerWaalsContact O-N 3.08Å; A155-H159 PolarHBondContact O-ND1 3.3Å; K156-H159 WeakPolarHBondContact O-CB 3.41Å; K156-H159 PolarHBondContact O-N 3.16Å; K156-H159 VanDerWaalsContact O-N 3.14Å; Y157-H159 VanDerWaalsContact C-N 3.35Å; H159-A161 VanDerWaalsContact C-N 3.32Å; H159-A161 PolarHBondContact O-N 3.05Å; H159-Q162 PolarHBondContact CD2-OE1 3.31Å; H159-Q162 WeakPolarHBondContact O-CB 3.32Å; H159-Q162 PolarHBondContact O-N 3.08Å; H159-K163 WeakPolarHBondContact O-CG 3.18Å; H159-K163 PolarHBondContact O-N 3.05Å
160V96.9Very high96.1Very high0 Ų032.1 Ų32.10%016%0.155CC..Hα-helixtrans-59.9-44.4172.5174.30000110.3P85 L88 A89 L92 K156 Y157 Q162 K163 L164P85-V160 HydrophobicContact CB-CG2 3.88Å; L88-V160 HydrophobicContact CB-CG2 4.33Å; L88-V160 HydrophobicContact CD2-CG1 4.5Å; L88-V160 HydrophobicContact CD2-CG2 3.93Å; L88-V160 HydrophobicContact CG-CG1 4.4Å; L88-V160 HydrophobicContact CG-CG2 4.4Å; A89-V160 HydrophobicContact CB-CG1 4.22Å; L92-V160 HydrophobicContact CD1-CG1 4.44Å; K156-V160 WeakPolarHBondContact O-CG2 3.08Å; K156-V160 PolarHBondContact O-N 3.26Å; Y157-V160 HydrophobicContact CD1-CG2 4.47Å; Y157-V160 WeakPolarHBondContact O-CB 3.44Å; Y157-V160 PolarHBondContact O-N 3.15Å; V160-Q162 VanDerWaalsContact C-N 3.34Å; V160-Q162 PolarHBondContact O-N 2.93Å; V160-K163 PolarHBondContact O-N 2.63Å; V160-K163 VanDerWaalsContact O-N 3.11Å; V160-L164 HydrophobicContact CG1-CD1 4.06Å; V160-L164 HydrophobicContact CG1-CG 4.34Å; V160-L164 WeakPolarHBondContact O-CG 3.3Å; V160-L164 PolarHBondContact O-N 3.05Å
161A97.9Very high96.3Very high1 Ų132.1 Ų32.11%0.00816%0.155CC..Hα-helixtrans-58-43.6175.400000112Y157 I158 H159 K163 L164 L165 L173 V176 V177Y157-A161 WeakPolarHBondContact O-CB 3.44Å; Y157-A161 PolarHBondContact O-N 3.26Å; I158-A161 WeakPolarHBondContact O-CB 3.29Å; I158-A161 PolarHBondContact O-N 3.14Å; H159-A161 VanDerWaalsContact C-N 3.32Å; H159-A161 PolarHBondContact O-N 3.05Å; A161-K163 VanDerWaalsContact C-N 3.34Å; A161-K163 PolarHBondContact O-N 2.85Å; A161-L164 WeakPolarHBondContact O-CB 3.46Å; A161-L164 PolarHBondContact O-N 3.4Å; A161-L165 PolarHBondContact O-N 3.28Å; A161-L173 HydrophobicContact CB-CD1 3.62Å; A161-L173 WeakPolarHBondContact O-CD1 3.22Å; A161-V176 HydrophobicContact CB-CG1 4.33Å; A161-V177 HydrophobicContact CB-CG2 4.29Å
162Q97.5Very high96.3Very high47 Ų4731.9 Ų31.922%0.2215%0.153CC..Hα-helixtrans-59.2-43.2173.2-70-179.8-54.600112.6I158 H159 V160 L165 H166 I202 M206I158-Q162 PolarHBondContact O-N 2.88Å; H159-Q162 PolarHBondContact CD2-OE1 3.31Å; H159-Q162 WeakPolarHBondContact O-CB 3.32Å; H159-Q162 PolarHBondContact O-N 3.08Å; V160-Q162 VanDerWaalsContact C-N 3.34Å; V160-Q162 PolarHBondContact O-N 2.93Å; Q162-L165 WeakPolarHBondContact O-CB 3.15Å; Q162-L165 PolarHBondContact O-N 2.86Å; Q162-H166 PolarHBondContact O-CD2 3.47Å; Q162-H166 PolarHBondContact O-N 3.42Å; Q162-I202 HydrophobicContact CG-CG2 3.38Å; Q162-M206 HydrophobicContact CG-CE 3.98Å
163K96.9Very high96.5Very high80 Ų8025.6 Ų25.635%0.34812%0.124SC..Hα-helixtrans-67.1-37.3177.7-62-57.7-179.9-178.50111.9P85 V86 A89 H159 V160 A161 L165 H166 L167P85-K163 HydrophobicContact CB-CG 4.46Å; V86-K163 HydrophobicContact CB-CD 4.25Å; V86-K163 HydrophobicContact CB-CG 4.17Å; V86-K163 HydrophobicContact CG2-CD 4.47Å; A89-K163 HydrophobicContact CB-CB 3.63Å; H159-K163 WeakPolarHBondContact O-CG 3.18Å; H159-K163 PolarHBondContact O-N 3.05Å; V160-K163 PolarHBondContact O-N 2.63Å; V160-K163 VanDerWaalsContact O-N 3.11Å; A161-K163 VanDerWaalsContact C-N 3.34Å; A161-K163 PolarHBondContact O-N 2.85Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 2.86Å; K163-H166 PolarHBondContact O-N 3.01Å; K163-L167 WeakPolarHBondContact O-CG 2.75Å; K163-L167 PolarHBondContact O-N 2.95Å
164L96.9Very high96.7Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-60.9-40.1172.4-71.1168.8000111.8A89 T93 V160 A161 L167 Q168 N169 T172 L173 V176A89-L164 HydrophobicContact CB-CD2 3.86Å; A89-L164 HydrophobicContact CB-CG 3.88Å; A89-L164 WeakPolarHBondContact O-CD2 3.38Å; T93-L164 WeakPolarHBondContact OG1-CD2 3.44Å; V160-L164 HydrophobicContact CG1-CD1 4.06Å; V160-L164 HydrophobicContact CG1-CG 4.34Å; V160-L164 WeakPolarHBondContact O-CG 3.3Å; V160-L164 PolarHBondContact O-N 3.05Å; A161-L164 WeakPolarHBondContact O-CB 3.46Å; A161-L164 PolarHBondContact O-N 3.4Å; L164-L167 CarbonylContact O-C 3.55Å; L164-L167 PolarHBondContact O-N 3.21Å; L164-Q168 PolarHBondContact O-N 3.31Å; L164-N169 HydrophobicContact CD2-CB 4.29Å; L164-N169 PolarHBondContact O-N 2.92Å; L164-T172 HydrophobicContact CD1-CG2 3.62Å; L164-T172 HydrophobicContact CD2-CG2 3.87Å; L164-T172 HydrophobicContact CG-CG2 4.42Å; L164-L173 HydrophobicContact CB-CB 4.25Å; L164-V176 HydrophobicContact CD1-CG2 3.98Å
165L96.5Very high96.6Very high46 Ų4625.4 Ų25.424%0.24112%0.123CC..Hα-helixtrans-63.4-43173.8-178.260.6000111.8A161 Q162 K163 L167 Q168 F170 L173 M206 L209A161-L165 PolarHBondContact O-N 3.28Å; Q162-L165 WeakPolarHBondContact O-CB 3.15Å; Q162-L165 PolarHBondContact O-N 2.86Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 2.86Å; L165-L167 VanDerWaalsContact C-N 3.28Å; L165-L167 PolarHBondContact O-N 3.28Å; L165-Q168 WeakPolarHBondContact O-CA 3.4Å; L165-Q168 PolarHBondContact O-N 3.35Å; L165-F170 HydrophobicContact CD1-CD1 4.27Å; L165-F170 HydrophobicContact CD1-CE1 3.62Å; L165-F170 HydrophobicContact CD1-CZ 4.16Å; L165-L173 HydrophobicContact CB-CD2 4.18Å; L165-L173 HydrophobicContact CD1-CD2 4.05Å; L165-M206 HydrophobicContact CB-SD 4.37Å; L165-M206 HydrophobicContact CD2-CE 3.61Å; L165-M206 HydrophobicContact CD2-SD 3.83Å; L165-L209 HydrophobicContact CD1-CD2 3.57Å; L165-L209 HydrophobicContact CD2-CD2 3.86Å; L165-L209 HydrophobicContact CG-CD2 4.35Å
166H95Very high96.6Very high140 Ų14024.5 Ų24.565%0.64812%0.115SC*.Hα-helixtrans-62.2-35.9175.8-67.1-179.6000112.6Q162 K163 Q168Q162-H166 PolarHBondContact O-CD2 3.47Å; Q162-H166 PolarHBondContact O-N 3.42Å; K163-H166 PolarHBondContact O-N 3.01Å; H166-Q168 PolarHBondContact O-N 2.79Å
167L93.9Very high96.7Very high43 Ų4323 Ų2323%0.22511%0.109CC..THydrogen-bonded Turntrans-75.71.4173.1-67.2172.7000113.3A89 E90 K163 L164 L165 N169A89-L167 HydrophobicContact CB-CD1 4.05Å; E90-L167 HydrophobicContact CG-CD1 4.01Å; K163-L167 WeakPolarHBondContact O-CG 2.75Å; K163-L167 PolarHBondContact O-N 2.95Å; L164-L167 CarbonylContact O-C 3.55Å; L164-L167 PolarHBondContact O-N 3.21Å; L165-L167 VanDerWaalsContact C-N 3.28Å; L165-L167 PolarHBondContact O-N 3.28Å; L167-N169 PolarHBondContact O-N 3.49Å
168Q95.7Very high96.5Very high48 Ų4823.3 Ų23.322%0.22411%0.112CC..THydrogen-bonded Turntrans55.731.4-176-54.6179.38.700113L164 L165 H166 F170 C226 R227 F229 K230 I231L164-Q168 PolarHBondContact O-N 3.31Å; L165-Q168 WeakPolarHBondContact O-CA 3.4Å; L165-Q168 PolarHBondContact O-N 3.35Å; H166-Q168 PolarHBondContact O-N 2.79Å; Q168-F170 HydrophobicContact CB-CE2 4.22Å; Q168-F170 WeakPolarHBondContact O-CD2 3.44Å; Q168-F170 PolarHBondContact O-N 3.36Å; Q168-C226 HydrophobicContact CG-CB 4.49Å; Q168-R227 PolarHBondContact OE1-O 3.44Å; Q168-F229 WeakPolarHBondContact CB-O 3.47Å; Q168-F229 PolarHBondContact OE1-O 2.86Å; Q168-K230 HydrophobicContact CB-CB 3.96Å; Q168-K230 WeakPolarHBondContact O-CA 3.34Å; Q168-I231 PolarHBondContact O-N 3.28Å
169N96.1Very high96.3Very high0 Ų023.2 Ų23.20%011%0.111CC..BIsolated β-bridgetrans-96.686.9175.9-179.10.2000110.9T93 L164 L167 N171 T172 L173 I231T93-N169 VanDerWaalsContact CA-ND2 3.32Å; T93-N169 WeakPolarHBondContact CA-ND2 3.38Å; T93-N169 WeakPolarHBondContact CB-ND2 3.28Å; T93-N169 HydrophobicContact CG2-CB 4.14Å; T93-N169 PolarHBondContact OG1-ND2 3.22Å; L164-N169 HydrophobicContact CD2-CB 4.29Å; L164-N169 PolarHBondContact O-N 2.92Å; L167-N169 PolarHBondContact O-N 3.49Å; N169-N171 PolarHBondContact OD1-N 3.25Å; N169-T172 VanDerWaalsContact ND2-CB 3.29Å; N169-T172 WeakPolarHBondContact ND2-CB 3.49Å; N169-T172 PolarHBondContact ND2-OG1 3.15Å; N169-T172 PolarHBondContact OD1-N 2.84Å; N169-T172 VanDerWaalsContact OD1-N 3.13Å; N169-T172 PolarHBondContact OD1-OG1 3.02Å; N169-L173 WeakPolarHBondContact O-CB 3.24Å; N169-L173 PolarHBondContact O-N 3.39Å; N169-I231 HydrophobicContact CB-CB 4.41Å; N169-I231 HydrophobicContact CB-CD1 4.31Å
170F97.8Very high96.3Very high2 Ų220 Ų201%0.00910%0.097CC..Hα-helixtrans-76.9-28-177-61.6-88.9000113L165 Q168 L173 M174 Y219 A222 F223 I231 I233L165-F170 HydrophobicContact CD1-CD1 4.27Å; L165-F170 HydrophobicContact CD1-CE1 3.62Å; L165-F170 HydrophobicContact CD1-CZ 4.16Å; Q168-F170 HydrophobicContact CB-CE2 4.22Å; Q168-F170 WeakPolarHBondContact O-CD2 3.44Å; Q168-F170 PolarHBondContact O-N 3.36Å; F170-L173 HydrophobicContact CD1-CD2 4.36Å; F170-M174 WeakPolarHBondContact O-CB 3.33Å; F170-M174 PolarHBondContact O-N 3.19Å; F170-Y219 HydrophobicContact CB-CD2 4.09Å; F170-Y219 HydrophobicContact CB-CE2 3.62Å; F170-Y219 AromaticContact CD1-CD2 3.82Å; F170-Y219 HydrophobicContact CD1-CD2 3.82Å; F170-Y219 AromaticContact CD1-CE2 3.99Å; F170-Y219 HydrophobicContact CD1-CE2 3.99Å; F170-Y219 HydrophobicContact CD2-CE2 4.27Å; F170-Y219 HydrophobicContact CE1-CD2 4.47Å; F170-Y219 HydrophobicContact CG-CD2 4.03Å; F170-Y219 AromaticContact CG-CE2 3.71Å; F170-Y219 HydrophobicContact CG-CE2 3.71Å; F170-A222 HydrophobicContact CE1-CB 4.16Å; F170-A222 HydrophobicContact CZ-CB 4.34Å; F170-F223 AromaticContact CD2-CD2 3.75Å; F170-F223 HydrophobicContact CD2-CD2 3.75Å; F170-F223 HydrophobicContact CD2-CE2 4.41Å; F170-F223 AromaticContact CE2-CD2 3.88Å; F170-F223 HydrophobicContact CE2-CD2 3.88Å; F170-I231 WeakPolarHBondContact CB-O 3.45Å; F170-I231 PolarHBondContact N-O 2.96Å; F170-I233 HydrophobicContact CB-CD1 4.28Å; F170-I233 HydrophobicContact CB-CG1 3.73Å; F170-I233 WeakPolarHBondContact O-CG1 3.25Å
171N96.7Very high96.1Very high1 Ų121.1 Ų21.11%0.00510%0.104CC..Hα-helixtrans-66.7-52.7-178.9-155.542.8000111.6E96 F130 N169 L173 M174 A175 I231 P232 I233 L234E96-N171 HydrophobicContact CG-CB 4.36Å; E96-N171 PolarHBondContact OE1-ND2 3.28Å; F130-N171 WeakPolarHBondContact CE2-O 3.34Å; N169-N171 PolarHBondContact OD1-N 3.25Å; N171-L173 VanDerWaalsContact C-N 3.32Å; N171-L173 PolarHBondContact O-N 3.15Å; N171-M174 WeakPolarHBondContact O-CB 3.26Å; N171-M174 PolarHBondContact O-N 3Å; N171-A175 PolarHBondContact O-N 2.69Å; N171-I231 HydrophobicContact CB-CG2 3.88Å; N171-P232 WeakPolarHBondContact CB-O 3.4Å; N171-I233 WeakPolarHBondContact OD1-CA 3.48Å; N171-L234 PolarHBondContact OD1-N 3.38Å
172T96.7Very high95.9Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-68.2-34.2177.9-520000111.3L92 I133 L164 N169 M174 A175 V176L92-T172 HydrophobicContact CB-CG2 3.82Å; L92-T172 HydrophobicContact CD1-CG2 4.13Å; I133-T172 HydrophobicContact CD1-CG2 4.27Å; I133-T172 HydrophobicContact CG2-CG2 4.43Å; L164-T172 HydrophobicContact CD1-CG2 3.62Å; L164-T172 HydrophobicContact CD2-CG2 3.87Å; L164-T172 HydrophobicContact CG-CG2 4.42Å; N169-T172 VanDerWaalsContact ND2-CB 3.29Å; N169-T172 WeakPolarHBondContact ND2-CB 3.49Å; N169-T172 PolarHBondContact ND2-OG1 3.15Å; N169-T172 PolarHBondContact OD1-N 2.84Å; N169-T172 VanDerWaalsContact OD1-N 3.13Å; N169-T172 PolarHBondContact OD1-OG1 3.02Å; T172-M174 VanDerWaalsContact C-N 3.31Å; T172-M174 PolarHBondContact O-N 3.43Å; T172-A175 WeakPolarHBondContact O-CB 3.11Å; T172-A175 PolarHBondContact O-N 2.97Å; T172-A175 VanDerWaalsContact O-N 3.13Å; T172-V176 HydrophobicContact CG2-CG2 4.45Å; T172-V176 WeakPolarHBondContact O-CG2 3.29Å; T172-V176 PolarHBondContact O-N 3.19Å
173L97.8Very high95.6Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-55.1-48.9171.8171.464.2000111A161 L164 L165 N169 F170 N171 A175 V176 V177 M206 L209 V210A161-L173 HydrophobicContact CB-CD1 3.62Å; A161-L173 WeakPolarHBondContact O-CD1 3.22Å; L164-L173 HydrophobicContact CB-CB 4.25Å; L165-L173 HydrophobicContact CB-CD2 4.18Å; L165-L173 HydrophobicContact CD1-CD2 4.05Å; N169-L173 WeakPolarHBondContact O-CB 3.24Å; N169-L173 PolarHBondContact O-N 3.39Å; F170-L173 HydrophobicContact CD1-CD2 4.36Å; N171-L173 VanDerWaalsContact C-N 3.32Å; N171-L173 PolarHBondContact O-N 3.15Å; L173-A175 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 3.4Å; L173-V176 PolarHBondContact O-N 3.37Å; L173-V177 HydrophobicContact CD1-CG2 3.84Å; L173-V177 HydrophobicContact CG-CG2 4.44Å; L173-V177 WeakPolarHBondContact O-CB 3.12Å; L173-V177 VanDerWaalsContact O-CG2 3.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.22Å; L173-V177 PolarHBondContact O-N 2.94Å; L173-M206 HydrophobicContact CD1-SD 4.08Å; L173-L209 HydrophobicContact CD2-CD2 4.01Å; L173-V210 HydrophobicContact CD2-CG1 4.14Å; L173-V210 HydrophobicContact CG-CG1 4.25Å
174M96.9Very high95.3Very high2 Ų219.3 Ų19.31%0.0110%0.103CC..Hα-helixtrans-60.8-39.7175.9179.963.6177.400111.8F130 F170 N171 T172 G178 V210 I233 A333 L335F130-M174 HydrophobicContact CE2-CB 4.21Å; F130-M174 HydrophobicContact CE2-CG 4.12Å; F130-M174 HydrophobicContact CZ-CG 4.04Å; F170-M174 WeakPolarHBondContact O-CB 3.33Å; F170-M174 PolarHBondContact O-N 3.19Å; N171-M174 WeakPolarHBondContact O-CB 3.26Å; N171-M174 PolarHBondContact O-N 3Å; T172-M174 VanDerWaalsContact C-N 3.31Å; T172-M174 PolarHBondContact O-N 3.43Å; M174-G178 WeakPolarHBondContact O-CA 3.37Å; M174-G178 PolarHBondContact O-N 3.26Å; M174-V210 HydrophobicContact SD-CB 3.65Å; M174-V210 HydrophobicContact SD-CG1 4.45Å; M174-V210 HydrophobicContact SD-CG2 3.57Å; M174-V210 VanDerWaalsContact SD-CG2 3.57Å; M174-I233 HydrophobicContact CB-CD1 4.04Å; M174-I233 HydrophobicContact CB-CG1 4.22Å; M174-I233 HydrophobicContact CB-CG2 4.44Å; M174-I233 HydrophobicContact CG-CD1 4.41Å; M174-I233 HydrophobicContact CG-CG2 4.29Å; M174-A333 HydrophobicContact CE-CB 3.83Å; M174-A333 HydrophobicContact SD-CB 4.15Å; M174-L335 HydrophobicContact CE-CD1 4.08Å
175A95.7Very high95.2Very high0 Ų019.3 Ų19.30%010%0.103CC..Hα-helixtrans-62.2-45.617700000112.3F130 I133 S134 N171 T172 L173 G179F130-A175 HydrophobicContact CD2-CB 3.7Å; F130-A175 HydrophobicContact CE2-CB 3.68Å; F130-A175 HydrophobicContact CG-CB 4.34Å; F130-A175 HydrophobicContact CZ-CB 4.3Å; I133-A175 HydrophobicContact CB-CB 4.1Å; I133-A175 HydrophobicContact CG2-CB 3.81Å; S134-A175 WeakPolarHBondContact OG-CA 3.32Å; S134-A175 PolarHBondContact OG-O 3Å; N171-A175 PolarHBondContact O-N 2.69Å; T172-A175 WeakPolarHBondContact O-CB 3.11Å; T172-A175 PolarHBondContact O-N 2.97Å; T172-A175 VanDerWaalsContact O-N 3.13Å; L173-A175 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 3.4Å; A175-G179 PolarHBondContact O-N 2.97Å
176V96.9Very high95.1Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-68.8-49.9179.9174.60000111I133 V137 Y157 A161 L164 T172 L173 G178 G179 L180I133-V176 HydrophobicContact CG2-CG2 4.08Å; V137-V176 HydrophobicContact CG2-CG1 4.36Å; V137-V176 HydrophobicContact CG2-CG2 4.21Å; Y157-V176 HydrophobicContact CD1-CG1 4.3Å; A161-V176 HydrophobicContact CB-CG1 4.33Å; L164-V176 HydrophobicContact CD1-CG2 3.98Å; T172-V176 HydrophobicContact CG2-CG2 4.45Å; T172-V176 WeakPolarHBondContact O-CG2 3.29Å; T172-V176 PolarHBondContact O-N 3.19Å; L173-V176 PolarHBondContact O-N 3.37Å; V176-G178 VanDerWaalsContact C-N 3.3Å; V176-G178 PolarHBondContact O-N 3.36Å; V176-G179 PolarHBondContact O-N 3.31Å; V176-L180 HydrophobicContact CG1-CD1 4.32Å; V176-L180 WeakPolarHBondContact O-CG 3.36Å; V176-L180 PolarHBondContact O-N 2.85Å
177V96.8Very high95Very high2 Ų216.2 Ų16.21%0.0129%0.093CC..Hα-helixtrans-61.8-40.7179173.10000110.9A161 L173 L180 S181 M206 V210A161-V177 HydrophobicContact CB-CG2 4.29Å; L173-V177 HydrophobicContact CD1-CG2 3.84Å; L173-V177 HydrophobicContact CG-CG2 4.44Å; L173-V177 WeakPolarHBondContact O-CB 3.12Å; L173-V177 VanDerWaalsContact O-CG2 3.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.22Å; L173-V177 PolarHBondContact O-N 2.94Å; V177-L180 PolarHBondContact O-N 3.47Å; V177-S181 VanDerWaalsContact O-CB 3.24Å; V177-S181 WeakPolarHBondContact O-CB 3.45Å; V177-S181 PolarHBondContact O-N 2.72Å; V177-S181 PolarHBondContact O-OG 3.36Å; V177-M206 HydrophobicContact CG2-CB 3.91Å; V177-V210 HydrophobicContact CB-CG2 4.34Å; V177-V210 HydrophobicContact CG1-CG2 3.89Å
178G93.7Very high95Very high7 Ų714.1 Ų14.17%0.0728%0.082CC..Hα-helixtrans-61.9-43.7174.100000113.3M174 V176 S181 H182M174-G178 WeakPolarHBondContact O-CA 3.37Å; M174-G178 PolarHBondContact O-N 3.26Å; V176-G178 VanDerWaalsContact C-N 3.3Å; V176-G178 PolarHBondContact O-N 3.36Å; G178-S181 CarbonylContact O-C 3.31Å; G178-S181 PolarHBondContact O-N 3.01Å; G178-H182 PolarHBondContact O-N 2.88Å
179G93.6Very high94.9Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-62.9-44175.700000112.9Q138 A175 V176 S181 H182Q138-G179 VanDerWaalsContact CG-O 3.31Å; Q138-G179 WeakPolarHBondContact CG-O 3.45Å; A175-G179 PolarHBondContact O-N 2.97Å; V176-G179 PolarHBondContact O-N 3.31Å; G179-S181 VanDerWaalsContact C-N 3.32Å; G179-S181 PolarHBondContact O-N 3.35Å; G179-H182 VanDerWaalsContact O-CB 3.22Å; G179-H182 WeakPolarHBondContact O-CB 3.36Å; G179-H182 PolarHBondContact O-N 2.84Å
180L95.6Very high94.8Very high1 Ų125.7 Ų25.71%0.00513%0.134CC..Hα-helixtrans-66.9-33.7175.7-67.2177.7000112.6V137 V141 I154 I158 V176 V177 H182 I185 W203V137-L180 HydrophobicContact CG1-CD2 3.6Å; V137-L180 HydrophobicContact CG1-CG 3.88Å; V141-L180 HydrophobicContact CG2-CD2 4.4Å; I154-L180 HydrophobicContact CG1-CD2 4.31Å; I154-L180 HydrophobicContact CG2-CD2 4.34Å; I158-L180 HydrophobicContact CG1-CD1 3.77Å; V176-L180 HydrophobicContact CG1-CD1 4.32Å; V176-L180 WeakPolarHBondContact O-CG 3.36Å; V176-L180 PolarHBondContact O-N 2.85Å; V177-L180 PolarHBondContact O-N 3.47Å; L180-H182 PolarHBondContact O-N 3.34Å; L180-I185 WeakPolarHBondContact O-CG2 3.36Å; L180-W203 HydrophobicContact CB-CH2 4.29Å; L180-W203 HydrophobicContact CB-CZ2 3.74Å; L180-W203 WeakPolarHBondContact O-CZ2 3.47Å
181S94.2Very high94.7Very high23 Ų2325.6 Ų25.616%0.16113%0.133CC..THydrogen-bonded Turntrans-841.5178.5-52.10000112.9V177 G178 G179V177-S181 VanDerWaalsContact O-CB 3.24Å; V177-S181 WeakPolarHBondContact O-CB 3.45Å; V177-S181 PolarHBondContact O-N 2.72Å; V177-S181 PolarHBondContact O-OG 3.36Å; G178-S181 CarbonylContact O-C 3.31Å; G178-S181 PolarHBondContact O-N 3.01Å; G179-S181 VanDerWaalsContact C-N 3.32Å; G179-S181 PolarHBondContact O-N 3.35Å
182H92.8Very high94.6Very high40 Ų4027.4 Ų27.419%0.18514%0.141CC..SBendtrans-65.3151-179.5-172.3-117.1000111.5Q138 G178 G179 L180 S184 I185 S186 E303Q138-H182 HydrophobicContact CG-CB 4.18Å; Q138-H182 PolarHBondContact OE1-ND1 2.77Å; G178-H182 PolarHBondContact O-N 2.88Å; G179-H182 VanDerWaalsContact O-CB 3.22Å; G179-H182 WeakPolarHBondContact O-CB 3.36Å; G179-H182 PolarHBondContact O-N 2.84Å; L180-H182 PolarHBondContact O-N 3.34Å; H182-S184 PolarHBondContact CE1-OG 3.4Å; H182-S184 PolarHBondContact ND1-OG 3.5Å; H182-S184 PolarHBondContact O-N 3.11Å; H182-S184 VanDerWaalsContact O-N 3.17Å; H182-I185 PolarHBondContact O-N 3.18Å; H182-S186 WeakPolarHBondContact O-CB 3.32Å; H182-S186 PolarHBondContact O-N 3.04Å; H182-E303 IonicContact CD2-OE2 3.22Å; H182-E303 IonicContact CE1-OE2 2.73Å; H182-E303 PolarHBondContact CE1-OE2 2.93Å; H182-E303 IonicContact ND1-OE2 3.9Å; H182-E303 IonicContact NE2-OE2 3.31Å; H182-E303 PolarHBondContact NE2-OE2 2.68Å; H182-E303 VanDerWaalsContact NE2-OE2 3.11Å
183S92Very high94.5Very high51 Ų5131.3 Ų31.336%0.35717%0.174SC..Hα-helixtrans-56.9-34.9-175.468.80000113.3I185 R187S183-I185 VanDerWaalsContact C-N 3.3Å; S183-I185 PolarHBondContact O-N 3.06Å; S183-R187 WeakPolarHBondContact O-CG 3.36Å; S183-R187 PolarHBondContact O-N 3.38Å
184S90.5Very high94.5Very high0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-67.1-27177.3-53.70000113.2H182 Y307 S310H182-S184 PolarHBondContact CE1-OG 3.4Å; H182-S184 PolarHBondContact ND1-OG 3.5Å; H182-S184 PolarHBondContact O-N 3.11Å; H182-S184 VanDerWaalsContact O-N 3.17Å; S184-Y307 WeakPolarHBondContact OG-CA 3.29Å; S184-S310 WeakPolarHBondContact O-CB 3.31Å; S184-S310 PolarHBondContact O-OG 2.67Å
185I94.7Very high94.4Very high0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-98.6-41.7179.2-54.8-55.6000111.2Q138 V141 L142 I154 L180 H182 S183 R187 L188 H192Q138-I185 HydrophobicContact CB-CD1 4.29Å; Q138-I185 HydrophobicContact CB-CG1 4.28Å; Q138-I185 HydrophobicContact CG-CG1 3.98Å; V141-I185 HydrophobicContact CB-CD1 4.01Å; V141-I185 HydrophobicContact CG1-CD1 3.94Å; L142-I185 HydrophobicContact CD1-CD1 4.21Å; L142-I185 HydrophobicContact CD2-CD1 4.11Å; L142-I185 HydrophobicContact CG-CD1 3.83Å; I154-I185 HydrophobicContact CD1-CG2 4.11Å; L180-I185 WeakPolarHBondContact O-CG2 3.36Å; H182-I185 PolarHBondContact O-N 3.18Å; S183-I185 VanDerWaalsContact C-N 3.3Å; S183-I185 PolarHBondContact O-N 3.06Å; I185-R187 PolarHBondContact O-N 2.77Å; I185-R187 VanDerWaalsContact O-N 3.14Å; I185-L188 HydrophobicContact CD1-CD1 4.27Å; I185-L188 WeakPolarHBondContact O-CB 3.44Å; I185-L188 WeakPolarHBondContact O-CG 3.24Å; I185-L188 PolarHBondContact O-N 2.99Å; I185-H192 PolarHBondContact O-NE2 3.31Å
186S93.2Very high94.5Very high73 Ų7340.7 Ų40.751%0.5122%0.223SC..Hα-helixtrans-58.4-29.6179.9-178.90000112.9H182 L188H182-S186 WeakPolarHBondContact O-CB 3.32Å; H182-S186 PolarHBondContact O-N 3.04Å; S186-L188 VanDerWaalsContact C-N 3.31Å; S186-L188 PolarHBondContact O-N 3.08Å
187R94.2Very high94.4Very high47 Ų4746 Ų4618%0.17726%0.257CS..THydrogen-bonded Turntrans-73.6-14.9178.268.7175-66.5-71-8.8115.3S183 I185 K189 S310 E314S183-R187 WeakPolarHBondContact O-CG 3.36Å; S183-R187 PolarHBondContact O-N 3.38Å; I185-R187 PolarHBondContact O-N 2.77Å; I185-R187 VanDerWaalsContact O-N 3.14Å; R187-K189 PolarHBondContact O-N 3.4Å; R187-S310 VanDerWaalsContact CD-OG 3.3Å; R187-S310 WeakPolarHBondContact CD-OG 3.37Å; R187-S310 WeakPolarHBondContact CG-OG 3.43Å; R187-S310 PolarHBondContact NH1-O 3.26Å; R187-S310 PolarHBondContact NH1-OG 2.77Å; R187-E314 VanDerWaalsContact CZ-O 3.31Å; R187-E314 PolarHBondContact NH1-O 3.24Å; R187-E314 PolarHBondContact NH2-O 3.08Å
188L93.1Very high94.4Very high0 Ų052.9 Ų52.90%029%0.289CS..  trans-75.866.3-172.8-61.6178.1000112.3V141 L142 I185 S186 E190 T191 H192 S310 E314V141-L188 HydrophobicContact CG1-CD1 4.43Å; L142-L188 HydrophobicContact CD2-CD1 4Å; I185-L188 HydrophobicContact CD1-CD1 4.27Å; I185-L188 WeakPolarHBondContact O-CB 3.44Å; I185-L188 WeakPolarHBondContact O-CG 3.24Å; I185-L188 PolarHBondContact O-N 2.99Å; S186-L188 VanDerWaalsContact C-N 3.31Å; S186-L188 PolarHBondContact O-N 3.08Å; L188-E190 VanDerWaalsContact C-N 3.26Å; L188-E190 PolarHBondContact O-N 3.22Å; L188-T191 WeakPolarHBondContact O-CB 3.45Å; L188-T191 PolarHBondContact O-N 3.25Å; L188-T191 VanDerWaalsContact O-N 3.15Å; L188-H192 PolarHBondContact O-CD2 3.18Å; L188-H192 PolarHBondContact O-N 2.8Å; L188-S310 WeakPolarHBondContact CD2-OG 3.46Å; L188-E314 WeakPolarHBondContact CA-OE2 3.23Å; L188-E314 HydrophobicContact CD2-CB 3.82Å; L188-E314 HydrophobicContact CD2-CG 3.82Å
189K94.2Very high94.5Very high168 Ų16853.1 Ų53.173%0.7329%0.289SS*.Hα-helixtrans-59.5-34.5-171.4-66.7-175.4-179.3-176.60113.2R187 H192 A193 E314R187-K189 PolarHBondContact O-N 3.4Å; K189-H192 PolarHBondContact O-N 3.5Å; K189-A193 PolarHBondContact O-N 2.93Å; K189-E314 PolarHBondContact N-OE2 3.1Å; K189-E314 VanDerWaalsContact N-OE2 3.14Å
190E93.9Very high94.6Very high123 Ų12356.6 Ų56.658%0.57531%0.307SS*.Hα-helixtrans-68.8-43.7178.6-63.3-178.4-179.700110.2P147 L188 H192 A193 Y194 E314P147-E190 HydrophobicContact CB-CB 4.5Å; P147-E190 HydrophobicContact CG-CB 4.49Å; L188-E190 VanDerWaalsContact C-N 3.26Å; L188-E190 PolarHBondContact O-N 3.22Å; E190-H192 PolarHBondContact O-N 2.83Å; E190-A193 WeakPolarHBondContact O-CB 3.39Å; E190-A193 PolarHBondContact O-N 3.05Å; E190-Y194 WeakPolarHBondContact O-CD2 3.05Å; E190-E314 PolarHBondContact N-OE2 3.13Å; E190-E314 VanDerWaalsContact N-OE2 3.09Å
191T95.4Very high94.6Very high0 Ų063 Ų630%034%0.335CS..Hα-helixtrans-58.7-46.6173.7-58.70000111.8R150 A151 I154 L188 A193 Y194 E314R150-T191 HydrophobicContact CB-CG2 3.56Å; R150-T191 PolarHBondContact NE-OG1 2.93Å; R150-T191 PolarHBondContact NH2-OG1 3.11Å; A151-T191 HydrophobicContact CB-CG2 4.05Å; I154-T191 HydrophobicContact CD1-CG2 3.65Å; L188-T191 WeakPolarHBondContact O-CB 3.45Å; L188-T191 PolarHBondContact O-N 3.25Å; L188-T191 VanDerWaalsContact O-N 3.15Å; T191-A193 PolarHBondContact O-N 3.3Å; T191-Y194 PolarHBondContact O-N 3.02Å; T191-Y194 VanDerWaalsContact O-N 3.08Å; T191-E314 WeakPolarHBondContact CB-OE1 3.47Å; T191-E314 PolarHBondContact N-OE1 3.44Å; T191-E314 VanDerWaalsContact N-OE1 3.15Å; T191-E314 PolarHBondContact OG1-OE1 3.15Å
192H94.6Very high94.7Very high38 Ų3862.6 Ų62.618%0.17633%0.331CS..Hα-helixtrans-61.3-29-179.9-71.7-61000113.3I185 L188 K189 E190 Y194 L195 W203I185-H192 PolarHBondContact O-NE2 3.31Å; L188-H192 PolarHBondContact O-CD2 3.18Å; L188-H192 PolarHBondContact O-N 2.8Å; K189-H192 PolarHBondContact O-N 3.5Å; E190-H192 PolarHBondContact O-N 2.83Å; H192-Y194 PolarHBondContact O-N 3.36Å; H192-L195 WeakPolarHBondContact O-CB 2.99Å; H192-L195 PolarHBondContact O-N 3.37Å; H192-W203 AromaticContact CE1-CH2 3.53Å; H192-W203 AromaticContact CE1-CZ3 3.57Å; H192-W203 AromaticContact ND1-CZ3 3.72Å
193A95.7Very high94.9Very high83 Ų8362 Ų6269%0.68633%0.327SS*.Hα-helixtrans-67.3-20.3177.700000113.5K189 E190 T191K189-A193 PolarHBondContact O-N 2.93Å; E190-A193 WeakPolarHBondContact O-CB 3.39Å; E190-A193 PolarHBondContact O-N 3.05Å; T191-A193 PolarHBondContact O-N 3.3Å
194Y96.4Very high95.1Very high131 Ų13163.1 Ų63.151%0.51434%0.335SS..THydrogen-bonded Turntrans-90-3.9176.9-70.6-76.1000113.6P147 Q148 E190 T191 H192P147-Y194 HydrophobicContact CB-CD2 3.86Å; P147-Y194 HydrophobicContact CB-CE2 3.79Å; Q148-Y194 HydrophobicContact CG-CD1 3.87Å; Q148-Y194 HydrophobicContact CG-CD2 4.37Å; Q148-Y194 HydrophobicContact CG-CE1 3.8Å; Q148-Y194 HydrophobicContact CG-CE2 4.32Å; Q148-Y194 HydrophobicContact CG-CG 4.17Å; Q148-Y194 VanDerWaalsContact NE2-CZ 3.33Å; Q148-Y194 PolarHBondContact NE2-OH 3.08Å; E190-Y194 WeakPolarHBondContact O-CD2 3.05Å; T191-Y194 PolarHBondContact O-N 3.02Å; T191-Y194 VanDerWaalsContact O-N 3.08Å; H192-Y194 PolarHBondContact O-N 3.36Å
195L96.1Very high95.4Very high13 Ų1367.3 Ų67.37%0.06836%0.355CS..SBendtrans-76134.3178.3-66.9172.3000111.2A151 I154 A155 H192 V199 L200 W203A151-L195 HydrophobicContact CB-CD2 3.93Å; A151-L195 HydrophobicContact CB-CG 4.33Å; A151-L195 WeakPolarHBondContact O-CD2 3.42Å; I154-L195 HydrophobicContact CB-CD2 4.1Å; I154-L195 HydrophobicContact CG2-CD1 3.98Å; I154-L195 HydrophobicContact CG2-CD2 3.86Å; A155-L195 HydrophobicContact CB-CD2 4.43Å; H192-L195 WeakPolarHBondContact O-CB 2.99Å; H192-L195 PolarHBondContact O-N 3.37Å; L195-V199 HydrophobicContact CD2-CG1 4.36Å; L195-L200 HydrophobicContact CB-CD1 4.43Å; L195-L200 HydrophobicContact CB-CD2 4.01Å; L195-L200 HydrophobicContact CB-CG 4.01Å; L195-L200 HydrophobicContact CD1-CD2 3.79Å; L195-W203 HydrophobicContact CD1-CE3 4.34Å; L195-W203 HydrophobicContact CD1-CZ3 4Å
196A96.1Very high95.5Very high54 Ų5468 Ų6845%0.44636%0.358SS..  trans-63.4143.7174.600000111E198 V199 L200A196-E198 PolarHBondContact O-N 3.09Å; A196-V199 HydrophobicContact CB-CB 4.48Å; A196-V199 HydrophobicContact CB-CG2 4.18Å; A196-V199 WeakPolarHBondContact O-CB 3.22Å; A196-V199 PolarHBondContact O-N 2.95Å; A196-L200 PolarHBondContact O-N 2.86Å; A196-L200 VanDerWaalsContact O-N 3.11Å
197P96.2Very high95.6Very high111 Ų11165.5 Ų65.572%0.72134%0.339SS*.Hα-helixtrans-57-34179.7-26.434.3000114L200 K201P197-L200 PolarHBondContact O-N 3.05Å; P197-K201 PolarHBondContact O-N 2.83Å
198E96.3Very high95.7Very high147 Ų14768.7 Ų68.769%0.68736%0.357SS*.Hα-helixtrans-65.8-41.6177.2-176.3156.2-175.700112.2A196 L200 K201 I202A196-E198 PolarHBondContact O-N 3.09Å; E198-L200 VanDerWaalsContact C-N 3.35Å; E198-L200 PolarHBondContact O-N 3.24Å; E198-K201 WeakPolarHBondContact O-CB 3.49Å; E198-K201 PolarHBondContact O-N 3.23Å; E198-I202 HydrophobicContact CG-CD1 4.21Å; E198-I202 WeakPolarHBondContact O-CD1 3.39Å; E198-I202 VanDerWaalsContact O-CG1 3.31Å; E198-I202 WeakPolarHBondContact O-CG1 3.45Å; E198-I202 PolarHBondContact O-N 3.42Å
199V96Very high95.9Very high12 Ų1270.1 Ų70.17%0.07336%0.364CS..Hα-helixtrans-64.1-41.3175.7172.40000110.8A155 I158 L195 A196 K201 I202 W203A155-V199 HydrophobicContact CB-CG1 3.96Å; A155-V199 HydrophobicContact CB-CG2 4.19Å; I158-V199 HydrophobicContact CB-CG1 4.2Å; I158-V199 HydrophobicContact CD1-CG1 3.3Å; I158-V199 HydrophobicContact CG1-CG1 4.34Å; I158-V199 HydrophobicContact CG2-CG1 4.18Å; L195-V199 HydrophobicContact CD2-CG1 4.36Å; A196-V199 HydrophobicContact CB-CB 4.48Å; A196-V199 HydrophobicContact CB-CG2 4.18Å; A196-V199 WeakPolarHBondContact O-CB 3.22Å; A196-V199 PolarHBondContact O-N 2.95Å; V199-K201 VanDerWaalsContact C-N 3.35Å; V199-K201 PolarHBondContact O-N 2.91Å; V199-I202 PolarHBondContact O-N 3.28Å; V199-W203 WeakPolarHBondContact O-CB 3.25Å; V199-W203 PolarHBondContact O-N 3.48Å
200L94.7Very high95.9Very high73 Ų7362.1 Ų62.138%0.38233%0.329SS..Hα-helixtrans-63.4-39.7175.5-70.2173.2000112.3L195 A196 P197 E198 W203 S204L195-L200 HydrophobicContact CB-CD1 4.43Å; L195-L200 HydrophobicContact CB-CD2 4.01Å; L195-L200 HydrophobicContact CB-CG 4.01Å; L195-L200 HydrophobicContact CD1-CD2 3.79Å; A196-L200 PolarHBondContact O-N 2.86Å; A196-L200 VanDerWaalsContact O-N 3.11Å; P197-L200 PolarHBondContact O-N 3.05Å; E198-L200 VanDerWaalsContact C-N 3.35Å; E198-L200 PolarHBondContact O-N 3.24Å; L200-W203 HydrophobicContact CD2-CE3 4.41Å; L200-W203 PolarHBondContact O-N 2.58Å; L200-S204 PolarHBondContact O-N 3.37Å
201K97Very high95.9Very high135 Ų13556.6 Ų56.659%0.58730%0.304SS*.Hα-helixtrans-61.4-50.2175.8-174.7-171.6177-161.40111.1P197 E198 V199 W203 S204 E205P197-K201 PolarHBondContact O-N 2.83Å; E198-K201 WeakPolarHBondContact O-CB 3.49Å; E198-K201 PolarHBondContact O-N 3.23Å; V199-K201 VanDerWaalsContact C-N 3.35Å; V199-K201 PolarHBondContact O-N 2.91Å; K201-W203 VanDerWaalsContact C-N 3.3Å; K201-W203 PolarHBondContact O-N 3.49Å; K201-S204 WeakPolarHBondContact O-CB 3.37Å; K201-S204 PolarHBondContact O-N 3.07Å; K201-S204 VanDerWaalsContact O-N 3.16Å; K201-E205 WeakPolarHBondContact CE-OE1 3.44Å; K201-E205 IonicContact NZ-OE1 3.88Å; K201-E205 WeakPolarHBondContact O-CG 3.27Å; K201-E205 PolarHBondContact O-N 2.84Å
202I96.6Very high95.7Very high15 Ų1558.7 Ų58.78%0.07732%0.319CS..Hα-helixtrans-57.8-45.4177.2-66.4160.8000110.4I158 Q162 E198 V199 S204 E205 M206I158-I202 HydrophobicContact CG2-CB 3.92Å; I158-I202 HydrophobicContact CG2-CG2 3.46Å; I158-I202 VanDerWaalsContact CG2-CG2 3.46Å; Q162-I202 HydrophobicContact CG-CG2 3.38Å; E198-I202 HydrophobicContact CG-CD1 4.21Å; E198-I202 WeakPolarHBondContact O-CD1 3.39Å; E198-I202 VanDerWaalsContact O-CG1 3.31Å; E198-I202 WeakPolarHBondContact O-CG1 3.45Å; E198-I202 PolarHBondContact O-N 3.42Å; V199-I202 PolarHBondContact O-N 3.28Å; I202-S204 VanDerWaalsContact C-N 3.34Å; I202-S204 PolarHBondContact O-N 3.12Å; I202-E205 PolarHBondContact O-N 3.03Å; I202-M206 HydrophobicContact CG2-CE 4.47Å; I202-M206 HydrophobicContact CG2-CG 4.33Å; I202-M206 VanDerWaalsContact O-CG 3.29Å; I202-M206 WeakPolarHBondContact O-CG 3.36Å; I202-M206 PolarHBondContact O-N 3.38Å
203W95.9Very high95.5Very high28 Ų2861.9 Ų61.911%0.10634%0.337CS..Hα-helixtrans-60.9-43.5177.9-174.44.7000111.7I154 I158 L180 H192 L195 V199 L200 K201 E205 M206 T207I154-W203 HydrophobicContact CG2-CE3 4.4Å; I154-W203 HydrophobicContact CG2-CZ3 3.96Å; I158-W203 HydrophobicContact CD1-CB 3.82Å; I158-W203 HydrophobicContact CD1-CD2 3.97Å; I158-W203 HydrophobicContact CD1-CE3 3.68Å; I158-W203 HydrophobicContact CD1-CG 4.04Å; I158-W203 HydrophobicContact CD1-CZ3 4.5Å; I158-W203 HydrophobicContact CG1-CB 4.13Å; I158-W203 HydrophobicContact CG1-CD2 4.47Å; I158-W203 HydrophobicContact CG1-CG 4.26Å; I158-W203 HydrophobicContact CG2-CB 4.39Å; L180-W203 HydrophobicContact CB-CH2 4.29Å; L180-W203 HydrophobicContact CB-CZ2 3.74Å; L180-W203 WeakPolarHBondContact O-CZ2 3.47Å; H192-W203 AromaticContact CE1-CH2 3.53Å; H192-W203 AromaticContact CE1-CZ3 3.57Å; H192-W203 AromaticContact ND1-CZ3 3.72Å; L195-W203 HydrophobicContact CD1-CE3 4.34Å; L195-W203 HydrophobicContact CD1-CZ3 4Å; V199-W203 WeakPolarHBondContact O-CB 3.25Å; V199-W203 PolarHBondContact O-N 3.48Å; L200-W203 HydrophobicContact CD2-CE3 4.41Å; L200-W203 PolarHBondContact O-N 2.58Å; K201-W203 VanDerWaalsContact C-N 3.3Å; K201-W203 PolarHBondContact O-N 3.49Å; W203-E205 VanDerWaalsContact C-N 3.35Å; W203-E205 PolarHBondContact O-N 3.35Å; W203-M206 PolarHBondContact O-N 2.65Å; W203-T207 PolarHBondContact NE1-OG1 3.12Å; W203-T207 WeakPolarHBondContact O-CB 3.47Å; W203-T207 PolarHBondContact O-N 2.88Å; W203-T207 PolarHBondContact O-OG1 3.1Å
204S95.9Very high95.3Very high74 Ų7464.8 Ų64.852%0.51734%0.341SS..Hα-helixtrans-58.4-46.3175.4-171.20000111.9L200 K201 I202 M206 T207 E208L200-S204 PolarHBondContact O-N 3.37Å; K201-S204 WeakPolarHBondContact O-CB 3.37Å; K201-S204 PolarHBondContact O-N 3.07Å; K201-S204 VanDerWaalsContact O-N 3.16Å; I202-S204 VanDerWaalsContact C-N 3.34Å; I202-S204 PolarHBondContact O-N 3.12Å; S204-M206 PolarHBondContact O-N 2.93Å; S204-T207 PolarHBondContact O-N 3.34Å; S204-E208 WeakPolarHBondContact O-CB 3.44Å; S204-E208 PolarHBondContact O-N 3.3Å
205E97Very high95.1Very high89 Ų8961.7 Ų61.742%0.41633%0.333SS..Hα-helixtrans-60.5-45.4177.9-69.6171.1-174.900111.7K201 I202 W203 T207 E208 L209K201-E205 WeakPolarHBondContact CE-OE1 3.44Å; K201-E205 IonicContact NZ-OE1 3.88Å; K201-E205 WeakPolarHBondContact O-CG 3.27Å; K201-E205 PolarHBondContact O-N 2.84Å; I202-E205 PolarHBondContact O-N 3.03Å; W203-E205 VanDerWaalsContact C-N 3.35Å; W203-E205 PolarHBondContact O-N 3.35Å; E205-T207 PolarHBondContact O-N 3.46Å; E205-E208 PolarHBondContact O-N 3.28Å; E205-L209 WeakPolarHBondContact O-CB 3.34Å; E205-L209 PolarHBondContact O-N 3.16Å
206M96.9Very high95.1Very high15 Ų1562.3 Ų62.37%0.07434%0.335CS..Hα-helixtrans-65.6-38.6178.1-64-63.6139.800112.1Q162 L165 L173 V177 I202 W203 S204 L209 V210Q162-M206 HydrophobicContact CG-CE 3.98Å; L165-M206 HydrophobicContact CB-SD 4.37Å; L165-M206 HydrophobicContact CD2-CE 3.61Å; L165-M206 HydrophobicContact CD2-SD 3.83Å; L173-M206 HydrophobicContact CD1-SD 4.08Å; V177-M206 HydrophobicContact CG2-CB 3.91Å; I202-M206 HydrophobicContact CG2-CE 4.47Å; I202-M206 HydrophobicContact CG2-CG 4.33Å; I202-M206 VanDerWaalsContact O-CG 3.29Å; I202-M206 WeakPolarHBondContact O-CG 3.36Å; I202-M206 PolarHBondContact O-N 3.38Å; W203-M206 PolarHBondContact O-N 2.65Å; S204-M206 PolarHBondContact O-N 2.93Å; M206-L209 PolarHBondContact O-N 3.22Å; M206-V210 WeakPolarHBondContact O-CG2 3.18Å; M206-V210 PolarHBondContact O-N 3.02Å
207T95.4Very high95.1Very high19 Ų1961.9 Ų61.912%0.11733%0.329CS..Hα-helixtrans-67.1-40.1177.2-53.90000111.3W203 S204 E205 S211 L332W203-T207 PolarHBondContact NE1-OG1 3.12Å; W203-T207 WeakPolarHBondContact O-CB 3.47Å; W203-T207 PolarHBondContact O-N 2.88Å; W203-T207 PolarHBondContact O-OG1 3.1Å; S204-T207 PolarHBondContact O-N 3.34Å; E205-T207 PolarHBondContact O-N 3.46Å; T207-S211 PolarHBondContact O-N 3.17Å; T207-S211 VanDerWaalsContact O-N 3.09Å; T207-L332 HydrophobicContact CG2-CB 4.13Å
208E96.1Very high95.2Very high115 Ų11559.6 Ų59.654%0.53731%0.31SS..Hα-helixtrans-67.5-38.1176-177.2175.3-17500112.2S204 E205 V210 S211 N218S204-E208 WeakPolarHBondContact O-CB 3.44Å; S204-E208 PolarHBondContact O-N 3.3Å; E205-E208 PolarHBondContact O-N 3.28Å; E208-V210 PolarHBondContact O-N 3.29Å; E208-S211 VanDerWaalsContact O-CB 3.32Å; E208-S211 WeakPolarHBondContact O-CB 3.05Å; E208-S211 PolarHBondContact O-N 3.19Å; E208-N218 PolarHBondContact O-ND2 3.44Å; E208-N218 VanDerWaalsContact O-ND2 3.15Å
209L96.8Very high95.2Very high30 Ų3052.6 Ų52.616%0.15728%0.278CS..Hα-helixtrans-59.2-45.2177.5175.864.3000112.1L165 L173 E205 M206 Y219 A222L165-L209 HydrophobicContact CD1-CD2 3.57Å; L165-L209 HydrophobicContact CD2-CD2 3.86Å; L165-L209 HydrophobicContact CG-CD2 4.35Å; L173-L209 HydrophobicContact CD2-CD2 4.01Å; E205-L209 WeakPolarHBondContact O-CB 3.34Å; E205-L209 PolarHBondContact O-N 3.16Å; M206-L209 PolarHBondContact O-N 3.22Å; L209-Y219 PolarHBondContact O-N 3.33Å; L209-A222 HydrophobicContact CD1-CB 3.85Å
210V95Very high95.2Very high0 Ų054.9 Ų54.90%029%0.285CS..THydrogen-bonded Turntrans-95.28.7-178.1-54.50000113.6L173 M174 V177 M206 E208 I233 A333L173-V210 HydrophobicContact CD2-CG1 4.14Å; L173-V210 HydrophobicContact CG-CG1 4.25Å; M174-V210 HydrophobicContact SD-CB 3.65Å; M174-V210 HydrophobicContact SD-CG1 4.45Å; M174-V210 HydrophobicContact SD-CG2 3.57Å; M174-V210 VanDerWaalsContact SD-CG2 3.57Å; V177-V210 HydrophobicContact CB-CG2 4.34Å; V177-V210 HydrophobicContact CG1-CG2 3.89Å; M206-V210 WeakPolarHBondContact O-CG2 3.18Å; M206-V210 PolarHBondContact O-N 3.02Å; E208-V210 PolarHBondContact O-N 3.29Å; V210-I233 HydrophobicContact CG1-CD1 4.35Å; V210-A333 HydrophobicContact CG2-CB 4.25Å
211S93.6Very high95.4Very high6 Ų657.9 Ų57.94%0.04230%0.295CS..  trans-60.2145.3-179.9176.30000112.1T207 E208 N213 Y216T207-S211 PolarHBondContact O-N 3.17Å; T207-S211 VanDerWaalsContact O-N 3.09Å; E208-S211 VanDerWaalsContact O-CB 3.32Å; E208-S211 WeakPolarHBondContact O-CB 3.05Å; E208-S211 PolarHBondContact O-N 3.19Å; S211-N213 PolarHBondContact O-N 3.4Å; S211-N213 WeakPolarHBondContact OG-CB 3.34Å; S211-N213 PolarHBondContact OG-N 3.5Å; S211-N213 PolarHBondContact OG-ND2 3.06Å; S211-Y216 WeakPolarHBondContact O-CA 3.46Å; S211-Y216 VanDerWaalsContact O-CD1 3.28Å; S211-Y216 WeakPolarHBondContact O-CD1 3.37Å
212S91.8Very high95.4Very high44 Ų4452.5 Ų52.531%0.30828%0.276SS..  trans-73.3-4.4174.662.50000114.2N214 N215S212-N214 PolarHBondContact O-N 3.4Å; S212-N215 PolarHBondContact O-N 3.39Å
213N90.3Very high95.3Very high105 Ų10552 Ų5256%0.56127%0.273SS*.G310 helixtrans-53.5136.6177.9-71.2-15.2000111.7S211 N215 Y216 S217S211-N213 PolarHBondContact O-N 3.4Å; S211-N213 WeakPolarHBondContact OG-CB 3.34Å; S211-N213 PolarHBondContact OG-N 3.5Å; S211-N213 PolarHBondContact OG-ND2 3.06Å; N213-N215 PolarHBondContact O-N 2.99Å; N213-N215 VanDerWaalsContact O-N 3.14Å; N213-Y216 PolarHBondContact O-N 2.99Å; N213-S217 PolarHBondContact O-N 2.84Å
214N91.9Very high95.3Very high144 Ų14456.1 Ų56.177%0.7730%0.297SS*.G310 helixtrans47.341.8-178.2-65.8-31000113.5S212 Y216 S217S212-N214 PolarHBondContact O-N 3.4Å; N214-Y216 PolarHBondContact O-N 3.12Å; N214-S217 PolarHBondContact O-N 2.59Å
215N92.2Very high95.3Very high66 Ų6658.7 Ų58.735%0.35330%0.301SS..G310 helixtrans55.748.7-177.3-167.544.7000113S212 N213 R220 K239S212-N215 PolarHBondContact O-N 3.39Å; N213-N215 PolarHBondContact O-N 2.99Å; N213-N215 VanDerWaalsContact O-N 3.14Å; N215-R220 PolarHBondContact ND2-NH2 3.24Å; N215-R220 VanDerWaalsContact ND2-NH2 3.18Å; N215-R220 PolarHBondContact O-NE 2.99Å; N215-K239 PolarHBondContact OD1-NZ 3.09Å; N215-K239 VanDerWaalsContact OD1-NZ 3.07Å
216Y95.9Very high95.1Very high27 Ų2755.6 Ų55.611%0.10629%0.289CS..THydrogen-bonded Turntrans63.839.7178.2-52.8-92.4000113.3S211 N213 N214 N218 Y219 R220 I236S211-Y216 WeakPolarHBondContact O-CA 3.46Å; S211-Y216 VanDerWaalsContact O-CD1 3.28Å; S211-Y216 WeakPolarHBondContact O-CD1 3.37Å; N213-Y216 PolarHBondContact O-N 2.99Å; N214-Y216 PolarHBondContact O-N 3.12Å; Y216-N218 VanDerWaalsContact C-N 3.31Å; Y216-N218 PolarHBondContact O-N 3.11Å; Y216-Y219 PolarHBondContact O-N 3.46Å; Y216-R220 WeakPolarHBondContact O-CB 3.36Å; Y216-R220 VanDerWaalsContact O-CG 3.28Å; Y216-R220 WeakPolarHBondContact O-CG 3.27Å; Y216-R220 PolarHBondContact O-N 3Å; Y216-I236 HydrophobicContact CD1-CD1 3.43Å; Y216-I236 VanDerWaalsContact CD1-CD1 3.43Å; Y216-I236 HydrophobicContact CD1-CG1 4.23Å; Y216-I236 HydrophobicContact CD2-CD1 3.84Å; Y216-I236 HydrophobicContact CD2-CG1 3.95Å; Y216-I236 HydrophobicContact CD2-CG2 4.25Å; Y216-I236 HydrophobicContact CE1-CD1 3.87Å; Y216-I236 HydrophobicContact CE1-CG1 4.28Å; Y216-I236 HydrophobicContact CE2-CD1 4.25Å; Y216-I236 HydrophobicContact CE2-CG1 4.02Å; Y216-I236 HydrophobicContact CG-CD1 3.42Å; Y216-I236 VanDerWaalsContact CG-CD1 3.42Å; Y216-I236 HydrophobicContact CG-CG1 4.06Å
217S96.5Very high94.7Very high44 Ų4465.7 Ų65.731%0.30833%0.326SS..Hα-helixtrans-58.8-39.8-17560.40000113.3N213 N214 R220 K221N213-S217 PolarHBondContact O-N 2.84Å; N214-S217 PolarHBondContact O-N 2.59Å; S217-R220 PolarHBondContact O-N 3.31Å; S217-K221 WeakPolarHBondContact O-CB 3.29Å; S217-K221 PolarHBondContact O-N 2.78Å
218N96.9Very high94.3Very high63 Ų6367.4 Ų67.434%0.33735%0.348SS..Hα-helixtrans-65.4-50.9-179.3-67.4-11.9000111E208 Y216 R220 K221 A222E208-N218 PolarHBondContact O-ND2 3.44Å; E208-N218 VanDerWaalsContact O-ND2 3.15Å; Y216-N218 VanDerWaalsContact C-N 3.31Å; Y216-N218 PolarHBondContact O-N 3.11Å; N218-R220 PolarHBondContact O-N 2.97Å; N218-K221 PolarHBondContact O-N 3.2Å; N218-A222 PolarHBondContact O-N 3.24Å
219Y97.2Very high94Very high1 Ų163.5 Ų63.50%0.00433%0.329CS..Hα-helixtrans-54.9-50.1172.4159.1-108.6000111.7F170 L209 Y216 K221 A222 F223 P232 I233 I236 H237F170-Y219 HydrophobicContact CB-CD2 4.09Å; F170-Y219 HydrophobicContact CB-CE2 3.62Å; F170-Y219 AromaticContact CD1-CD2 3.82Å; F170-Y219 HydrophobicContact CD1-CD2 3.82Å; F170-Y219 AromaticContact CD1-CE2 3.99Å; F170-Y219 HydrophobicContact CD1-CE2 3.99Å; F170-Y219 HydrophobicContact CD2-CE2 4.27Å; F170-Y219 HydrophobicContact CE1-CD2 4.47Å; F170-Y219 HydrophobicContact CG-CD2 4.03Å; F170-Y219 AromaticContact CG-CE2 3.71Å; F170-Y219 HydrophobicContact CG-CE2 3.71Å; L209-Y219 PolarHBondContact O-N 3.33Å; Y216-Y219 PolarHBondContact O-N 3.46Å; Y219-K221 VanDerWaalsContact C-N 3.31Å; Y219-K221 PolarHBondContact O-N 2.98Å; Y219-A222 PolarHBondContact O-N 3.05Å; Y219-F223 HydrophobicContact CD2-CB 4.31Å; Y219-F223 HydrophobicContact CE2-CB 3.8Å; Y219-F223 HydrophobicContact CE2-CD2 4.03Å; Y219-F223 HydrophobicContact CE2-CG 4.06Å; Y219-F223 VanDerWaalsContact O-CB 3.25Å; Y219-F223 WeakPolarHBondContact O-CB 3.45Å; Y219-F223 PolarHBondContact O-N 2.94Å; Y219-P232 WeakPolarHBondContact OH-CA 3.42Å; Y219-I233 HydrophobicContact CD1-CD1 4.21Å; Y219-I233 HydrophobicContact CD2-CD1 3.58Å; Y219-I233 HydrophobicContact CD2-CG1 4.09Å; Y219-I233 HydrophobicContact CE1-CB 4.34Å; Y219-I233 HydrophobicContact CE1-CD1 4.36Å; Y219-I233 HydrophobicContact CE1-CG1 4.48Å; Y219-I233 HydrophobicContact CE2-CB 4.35Å; Y219-I233 HydrophobicContact CE2-CD1 3.79Å; Y219-I233 HydrophobicContact CE2-CG1 3.75Å; Y219-I233 HydrophobicContact CG-CD1 3.82Å; Y219-I233 PolarHBondContact OH-N 2.92Å; Y219-I233 VanDerWaalsContact OH-N 3.1Å; Y219-I236 HydrophobicContact CD1-CD1 3.43Å; Y219-I236 VanDerWaalsContact CD1-CD1 3.43Å; Y219-I236 HydrophobicContact CE1-CB 4.35Å; Y219-I236 HydrophobicContact CE1-CD1 3.61Å; Y219-I236 HydrophobicContact CE1-CG2 4.26Å; Y219-I236 HydrophobicContact CG-CD1 4.25Å; Y219-H237 PolarHBondContact OH-NE2 2.7Å; Y219-H237 VanDerWaalsContact OH-NE2 3.13Å
220R96.6Very high93.9Very high59 Ų5963.4 Ų63.422%0.22333%0.327CS..Hα-helixtrans-60.1-42.2-178.1-72.3175.7-173.3-83.85111.8N215 Y216 S217 N218 N224 I236 D240N215-R220 PolarHBondContact ND2-NH2 3.24Å; N215-R220 VanDerWaalsContact ND2-NH2 3.18Å; N215-R220 PolarHBondContact O-NE 2.99Å; Y216-R220 WeakPolarHBondContact O-CB 3.36Å; Y216-R220 VanDerWaalsContact O-CG 3.28Å; Y216-R220 WeakPolarHBondContact O-CG 3.27Å; Y216-R220 PolarHBondContact O-N 3Å; S217-R220 PolarHBondContact O-N 3.31Å; N218-R220 PolarHBondContact O-N 2.97Å; R220-N224 WeakPolarHBondContact O-CB 3.43Å; R220-N224 PolarHBondContact O-N 3.29Å; R220-N224 VanDerWaalsContact O-N 3.08Å; R220-N224 PolarHBondContact O-ND2 3.33Å; R220-I236 VanDerWaalsContact NH2-CG2 3.29Å; R220-D240 IonicContact CZ-OD1 3.94Å; R220-D240 IonicContact CZ-OD2 3.23Å; R220-D240 VanDerWaalsContact CZ-OD2 3.23Å; R220-D240 IonicContact NH1-OD2 2.73Å; R220-D240 PolarHBondContact NH1-OD2 2.93Å; R220-D240 VanDerWaalsContact NH2-CG 3.26Å; R220-D240 IonicContact NH2-OD1 2.91Å; R220-D240 PolarHBondContact NH2-OD1 2.98Å; R220-D240 IonicContact NH2-OD2 2.8Å; R220-D240 PolarHBondContact NH2-OD2 3.06Å
221K96.9Very high93.8Very high137 Ų13763.5 Ų63.560%0.59633%0.328SS*.Hα-helixtrans-60.9-52.9175.3-177.3-179.2173.2-174.60110.9S217 N218 Y219 F223 N224 E225S217-K221 WeakPolarHBondContact O-CB 3.29Å; S217-K221 PolarHBondContact O-N 2.78Å; N218-K221 PolarHBondContact O-N 3.2Å; Y219-K221 VanDerWaalsContact C-N 3.31Å; Y219-K221 PolarHBondContact O-N 2.98Å; K221-F223 VanDerWaalsContact C-N 3.33Å; K221-F223 PolarHBondContact O-N 3.33Å; K221-N224 PolarHBondContact O-N 3.13Å; K221-E225 WeakPolarHBondContact CE-OE1 3.37Å; K221-E225 WeakPolarHBondContact CG-OE1 3.19Å; K221-E225 WeakPolarHBondContact O-CG 3.3Å; K221-E225 PolarHBondContact O-N 3.43Å; K221-E225 VanDerWaalsContact O-N 3.11Å
222A97.1Very high93.9Very high22 Ų2263.4 Ų63.418%0.18233%0.327CS..Hα-helixtrans-59.1-43.8179.600000112.1F170 L209 N218 Y219 N224 E225 C226F170-A222 HydrophobicContact CE1-CB 4.16Å; F170-A222 HydrophobicContact CZ-CB 4.34Å; L209-A222 HydrophobicContact CD1-CB 3.85Å; N218-A222 PolarHBondContact O-N 3.24Å; Y219-A222 PolarHBondContact O-N 3.05Å; A222-N224 VanDerWaalsContact C-N 3.3Å; A222-N224 PolarHBondContact O-N 3.05Å; A222-E225 PolarHBondContact O-N 3.44Å; A222-C226 PolarHBondContact O-N 3.47Å; A222-C226 PolarHBondContact O-SG 3.25Å
223F96Very high94.2Very high3 Ų361.3 Ų61.31%0.01331%0.313CS..Hα-helixtrans-64.9-32.1179.9-174.5-102.7000113.4F170 Y219 K221 K230 P232 E272 L276F170-F223 AromaticContact CD2-CD2 3.75Å; F170-F223 HydrophobicContact CD2-CD2 3.75Å; F170-F223 HydrophobicContact CD2-CE2 4.41Å; F170-F223 AromaticContact CE2-CD2 3.88Å; F170-F223 HydrophobicContact CE2-CD2 3.88Å; Y219-F223 HydrophobicContact CD2-CB 4.31Å; Y219-F223 HydrophobicContact CE2-CB 3.8Å; Y219-F223 HydrophobicContact CE2-CD2 4.03Å; Y219-F223 HydrophobicContact CE2-CG 4.06Å; Y219-F223 VanDerWaalsContact O-CB 3.25Å; Y219-F223 WeakPolarHBondContact O-CB 3.45Å; Y219-F223 PolarHBondContact O-N 2.94Å; K221-F223 VanDerWaalsContact C-N 3.33Å; K221-F223 PolarHBondContact O-N 3.33Å; F223-K230 HydrophobicContact CD2-CD 4.11Å; F223-K230 HydrophobicContact CE1-CD 4.44Å; F223-K230 HydrophobicContact CE2-CB 4.19Å; F223-K230 HydrophobicContact CE2-CD 3.63Å; F223-K230 HydrophobicContact CE2-CG 3.77Å; F223-K230 HydrophobicContact CZ-CD 3.81Å; F223-K230 VanDerWaalsContact CZ-CE 3.48Å; F223-K230 HydrophobicContact CZ-CG 4.09Å; F223-K230 PolarHBondContact O-NZ 3.29Å; F223-P232 HydrophobicContact CE1-CB 4.45Å; F223-P232 HydrophobicContact CE2-CB 3.77Å; F223-P232 HydrophobicContact CZ-CB 3.65Å; F223-P232 HydrophobicContact CZ-CG 4.46Å; F223-E272 WeakPolarHBondContact CE1-OE1 3.22Å; F223-L276 HydrophobicContact CZ-CD1 3.91Å
224N94.6Very high94.3Very high115 Ų11556.4 Ų56.462%0.61529%0.286SS*.Hα-helixtrans-77.2-29.3176.3-72.2-15.1000112.7R220 K221 A222 C226R220-N224 WeakPolarHBondContact O-CB 3.43Å; R220-N224 PolarHBondContact O-N 3.29Å; R220-N224 VanDerWaalsContact O-N 3.08Å; R220-N224 PolarHBondContact O-ND2 3.33Å; K221-N224 PolarHBondContact O-N 3.13Å; A222-N224 VanDerWaalsContact C-N 3.3Å; A222-N224 PolarHBondContact O-N 3.05Å; N224-C226 VanDerWaalsContact C-N 3.34Å
225E95.8Very high94.3Very high128 Ų12849.7 Ų49.760%0.59825%0.252SS*.Hα-helixtrans-75.4-24.5175.9-70.9171.4-178.800112.2K221 A222K221-E225 WeakPolarHBondContact CE-OE1 3.37Å; K221-E225 WeakPolarHBondContact CG-OE1 3.19Å; K221-E225 WeakPolarHBondContact O-CG 3.3Å; K221-E225 PolarHBondContact O-N 3.43Å; K221-E225 VanDerWaalsContact O-N 3.11Å; A222-E225 PolarHBondContact O-N 3.44Å
226C93.3Very high94.4Very high25 Ų2546.8 Ų46.817%0.16924%0.236CC..  trans-64.3139.5177.2-71.10000113.6Q168 A222 N224 K230Q168-C226 HydrophobicContact CG-CB 4.49Å; A222-C226 PolarHBondContact O-N 3.47Å; A222-C226 PolarHBondContact O-SG 3.25Å; N224-C226 VanDerWaalsContact C-N 3.34Å; C226-K230 HydrophobicContact CB-CB 4.48Å; C226-K230 HydrophobicContact CB-CD 3.89Å
227R88.4Confident94.3Very high226 Ų22646 Ų4685%0.85323%0.233SC*.  trans-123.9144.7175.6-62.1-174.1179-134.1-0.1110.6Q168Q168-R227 PolarHBondContact OE1-O 3.44Å
228G87.9Confident94.1Very high56 Ų5643.9 Ų43.958%0.57722%0.218SC*.SBendtrans84.8-137.617800000112.6K230G228-K230 PolarHBondContact O-N 3.49Å
229F90.5Very high93.8Very high32 Ų3246 Ų4614%0.1423%0.225CC..SBendtrans-68.7120.6-179.8176.8-93.7000110.7T93 F97 Q168 I231 V279T93-F229 HydrophobicContact CG2-CE1 3.78Å; T93-F229 HydrophobicContact CG2-CZ 3.9Å; F97-F229 HydrophobicContact CB-CZ 4.41Å; F97-F229 HydrophobicContact CD1-CE2 4.12Å; F97-F229 AromaticContact CD2-CE2 3.65Å; F97-F229 HydrophobicContact CD2-CE2 3.65Å; F97-F229 HydrophobicContact CD2-CZ 4.08Å; F97-F229 HydrophobicContact CE1-CE2 4.13Å; F97-F229 HydrophobicContact CE2-CD2 4.48Å; F97-F229 AromaticContact CE2-CE2 3.72Å; F97-F229 HydrophobicContact CE2-CE2 3.72Å; F97-F229 AromaticContact CG-CE2 3.88Å; F97-F229 HydrophobicContact CG-CE2 3.88Å; F97-F229 HydrophobicContact CG-CZ 4.13Å; F97-F229 AromaticContact CZ-CE2 3.96Å; F97-F229 HydrophobicContact CZ-CE2 3.96Å; Q168-F229 WeakPolarHBondContact CB-O 3.47Å; Q168-F229 PolarHBondContact OE1-O 2.86Å; F229-I231 HydrophobicContact CE1-CD1 4.33Å; F229-I231 HydrophobicContact CE1-CG1 4.22Å; F229-I231 HydrophobicContact CZ-CD1 3.89Å; F229-I231 HydrophobicContact CZ-CG1 3.94Å; F229-V279 HydrophobicContact CB-CG1 4.07Å; F229-V279 HydrophobicContact CD2-CG1 4.2Å
230K93Very high93.6Very high28 Ų2847.6 Ų47.612%0.12223%0.233CC..  trans-147.6146.717563.9-174.5-172.71720110.8Q168 F223 C226 G228 L276Q168-K230 HydrophobicContact CB-CB 3.96Å; Q168-K230 WeakPolarHBondContact O-CA 3.34Å; F223-K230 HydrophobicContact CD2-CD 4.11Å; F223-K230 HydrophobicContact CE1-CD 4.44Å; F223-K230 HydrophobicContact CE2-CB 4.19Å; F223-K230 HydrophobicContact CE2-CD 3.63Å; F223-K230 HydrophobicContact CE2-CG 3.77Å; F223-K230 HydrophobicContact CZ-CD 3.81Å; F223-K230 VanDerWaalsContact CZ-CE 3.48Å; F223-K230 HydrophobicContact CZ-CG 4.09Å; F223-K230 PolarHBondContact O-NZ 3.29Å; C226-K230 HydrophobicContact CB-CB 4.48Å; C226-K230 HydrophobicContact CB-CD 3.89Å; G228-K230 PolarHBondContact O-N 3.49Å; K230-L276 HydrophobicContact CD-CD2 4.27Å; K230-L276 HydrophobicContact CG-CD2 3.53Å
231I94.5Very high93.5Very high2 Ų244.9 Ų44.91%0.0122%0.223CC..BIsolated β-bridgetrans-115.2119.7176.3-58.9-178.2000109.2T93 E96 F97 I100 Q168 N169 F170 N171 F229T93-I231 HydrophobicContact CG2-CD1 3.91Å; E96-I231 HydrophobicContact CB-CD1 4.47Å; E96-I231 HydrophobicContact CG-CD1 4.36Å; E96-I231 HydrophobicContact CG-CG2 4.13Å; F97-I231 HydrophobicContact CB-CD1 3.95Å; F97-I231 HydrophobicContact CD2-CD1 4.32Å; F97-I231 HydrophobicContact CD2-CG1 4.43Å; I100-I231 HydrophobicContact CD1-CG2 3.38Å; Q168-I231 PolarHBondContact O-N 3.28Å; N169-I231 HydrophobicContact CB-CB 4.41Å; N169-I231 HydrophobicContact CB-CD1 4.31Å; F170-I231 WeakPolarHBondContact CB-O 3.45Å; F170-I231 PolarHBondContact N-O 2.96Å; N171-I231 HydrophobicContact CB-CG2 3.88Å; F229-I231 HydrophobicContact CE1-CD1 4.33Å; F229-I231 HydrophobicContact CE1-CG1 4.22Å; F229-I231 HydrophobicContact CZ-CD1 3.89Å; F229-I231 HydrophobicContact CZ-CG1 3.94Å
232P95.9Very high93.2Very high4 Ų440.2 Ų40.23%0.02620%0.204CC..  trans-78.1153.6-177.731.2-31.2000111.7N171 Y219 F223 L234 L273 L276N171-P232 WeakPolarHBondContact CB-O 3.4Å; Y219-P232 WeakPolarHBondContact OH-CA 3.42Å; F223-P232 HydrophobicContact CE1-CB 4.45Å; F223-P232 HydrophobicContact CE2-CB 3.77Å; F223-P232 HydrophobicContact CZ-CB 3.65Å; F223-P232 HydrophobicContact CZ-CG 4.46Å; P232-L234 PolarHBondContact O-N 3.14Å; P232-L273 HydrophobicContact CB-CD2 4.49Å; P232-L273 HydrophobicContact CG-CD2 3.86Å; P232-L276 HydrophobicContact CB-CD1 4.42Å; P232-L276 HydrophobicContact CG-CD1 3.81Å
233I96.2Very high93Very high1 Ų141.5 Ų41.51%0.00522%0.215CC..  trans-70.899.1166.4-57.6173.4000107.4F170 N171 M174 V210 Y219 G235 I236 H237F170-I233 HydrophobicContact CB-CD1 4.28Å; F170-I233 HydrophobicContact CB-CG1 3.73Å; F170-I233 WeakPolarHBondContact O-CG1 3.25Å; N171-I233 WeakPolarHBondContact OD1-CA 3.48Å; M174-I233 HydrophobicContact CB-CD1 4.04Å; M174-I233 HydrophobicContact CB-CG1 4.22Å; M174-I233 HydrophobicContact CB-CG2 4.44Å; M174-I233 HydrophobicContact CG-CD1 4.41Å; M174-I233 HydrophobicContact CG-CG2 4.29Å; V210-I233 HydrophobicContact CG1-CD1 4.35Å; Y219-I233 HydrophobicContact CD1-CD1 4.21Å; Y219-I233 HydrophobicContact CD2-CD1 3.58Å; Y219-I233 HydrophobicContact CD2-CG1 4.09Å; Y219-I233 HydrophobicContact CE1-CB 4.34Å; Y219-I233 HydrophobicContact CE1-CD1 4.36Å; Y219-I233 HydrophobicContact CE1-CG1 4.48Å; Y219-I233 HydrophobicContact CE2-CB 4.35Å; Y219-I233 HydrophobicContact CE2-CD1 3.79Å; Y219-I233 HydrophobicContact CE2-CG1 3.75Å; Y219-I233 HydrophobicContact CG-CD1 3.82Å; Y219-I233 PolarHBondContact OH-N 2.92Å; Y219-I233 VanDerWaalsContact OH-N 3.1Å; I233-G235 VanDerWaalsContact C-N 3.28Å; I233-G235 PolarHBondContact O-N 3.08Å; I233-I236 HydrophobicContact CB-CD1 3.81Å; I233-I236 HydrophobicContact CB-CG1 4.18Å; I233-I236 HydrophobicContact CD1-CD1 3.85Å; I233-I236 HydrophobicContact CG1-CD1 4.41Å; I233-I236 HydrophobicContact CG2-CD1 3.8Å; I233-I236 HydrophobicContact CG2-CG1 3.85Å; I233-I236 PolarHBondContact O-N 3.4Å; I233-I236 VanDerWaalsContact O-N 3.09Å; I233-H237 PolarHBondContact O-CD2 3.02Å
234L93.9Very high92.9Very high1 Ų142.6 Ų42.61%0.00522%0.222CC..Hα-helixtrans-58.4-41.3-165.5-171.959.9000112.3I103 Y108 L123 N171 P232 I236 H237 L238 L273 W337I103-L234 HydrophobicContact CD1-CD2 3.76Å; Y108-L234 HydrophobicContact CE1-CD1 3.83Å; Y108-L234 HydrophobicContact CE1-CD2 4.43Å; L123-L234 HydrophobicContact CD1-CD2 3.67Å; N171-L234 PolarHBondContact OD1-N 3.38Å; P232-L234 PolarHBondContact O-N 3.14Å; L234-I236 PolarHBondContact O-N 3.21Å; L234-H237 PolarHBondContact O-N 2.72Å; L234-H237 VanDerWaalsContact O-N 3.15Å; L234-L238 HydrophobicContact CD1-CG 4.45Å; L234-L238 HydrophobicContact CD2-CD1 4.41Å; L234-L238 HydrophobicContact CG-CD1 3.97Å; L234-L238 HydrophobicContact CG-CG 4.11Å; L234-L238 WeakPolarHBondContact O-CG 3.48Å; L234-L238 PolarHBondContact O-N 3.48Å; L234-L273 HydrophobicContact CD1-CD1 4.42Å; L234-L273 HydrophobicContact CD1-CD2 4.11Å; L234-W337 HydrophobicContact CB-CH2 4.23Å
235G91.1Very high92.8Very high4 Ų439.1 Ų39.14%0.04120%0.202CC..Hα-helixtrans-55.6-33.1179.100000115.5I233 K239I233-G235 VanDerWaalsContact C-N 3.28Å; I233-G235 PolarHBondContact O-N 3.08Å; G235-K239 WeakPolarHBondContact O-CB 3.46Å; G235-K239 PolarHBondContact O-N 3.01Å
236I93.9Very high92.6Very high4 Ų438.3 Ų38.32%0.02121%0.205CC..Hα-helixtrans-70.6-44.7-179.9-62.7175.2000110Y216 Y219 R220 I233 L234 K239 D240Y216-I236 HydrophobicContact CD1-CD1 3.43Å; Y216-I236 VanDerWaalsContact CD1-CD1 3.43Å; Y216-I236 HydrophobicContact CD1-CG1 4.23Å; Y216-I236 HydrophobicContact CD2-CD1 3.84Å; Y216-I236 HydrophobicContact CD2-CG1 3.95Å; Y216-I236 HydrophobicContact CD2-CG2 4.25Å; Y216-I236 HydrophobicContact CE1-CD1 3.87Å; Y216-I236 HydrophobicContact CE1-CG1 4.28Å; Y216-I236 HydrophobicContact CE2-CD1 4.25Å; Y216-I236 HydrophobicContact CE2-CG1 4.02Å; Y216-I236 HydrophobicContact CG-CD1 3.42Å; Y216-I236 VanDerWaalsContact CG-CD1 3.42Å; Y216-I236 HydrophobicContact CG-CG1 4.06Å; Y219-I236 HydrophobicContact CD1-CD1 3.43Å; Y219-I236 VanDerWaalsContact CD1-CD1 3.43Å; Y219-I236 HydrophobicContact CE1-CB 4.35Å; Y219-I236 HydrophobicContact CE1-CD1 3.61Å; Y219-I236 HydrophobicContact CE1-CG2 4.26Å; Y219-I236 HydrophobicContact CG-CD1 4.25Å; R220-I236 VanDerWaalsContact NH2-CG2 3.29Å; I233-I236 HydrophobicContact CB-CD1 3.81Å; I233-I236 HydrophobicContact CB-CG1 4.18Å; I233-I236 HydrophobicContact CD1-CD1 3.85Å; I233-I236 HydrophobicContact CG1-CD1 4.41Å; I233-I236 HydrophobicContact CG2-CD1 3.8Å; I233-I236 HydrophobicContact CG2-CG1 3.85Å; I233-I236 PolarHBondContact O-N 3.4Å; I233-I236 VanDerWaalsContact O-N 3.09Å; L234-I236 PolarHBondContact O-N 3.21Å; I236-K239 WeakPolarHBondContact O-CB 3.4Å; I236-K239 PolarHBondContact O-N 3.39Å; I236-D240 PolarHBondContact O-N 3.45Å; I236-D240 VanDerWaalsContact O-N 3.08Å
237H94Very high92.6Very high10 Ų1041.9 Ų41.95%0.04623%0.226CC..Hα-helixtrans-69.2-37.5178.3-66.6-89.1000111.9Y219 I233 L234 K239 D240 L241 T269 E272 L273Y219-H237 PolarHBondContact OH-NE2 2.7Å; Y219-H237 VanDerWaalsContact OH-NE2 3.13Å; I233-H237 PolarHBondContact O-CD2 3.02Å; L234-H237 PolarHBondContact O-N 2.72Å; L234-H237 VanDerWaalsContact O-N 3.15Å; H237-K239 VanDerWaalsContact C-N 3.33Å; H237-K239 PolarHBondContact O-N 3.18Å; H237-D240 PolarHBondContact O-N 3.45Å; H237-L241 WeakPolarHBondContact O-CG 3.35Å; H237-L241 PolarHBondContact O-N 2.98Å; H237-T269 HydrophobicContact CB-CG2 4.27Å; H237-E272 IonicContact CE1-OE2 3.84Å; H237-L273 HydrophobicContact CB-CD1 4.15Å; H237-L273 HydrophobicContact CB-CD2 4Å; H237-L273 HydrophobicContact CB-CG 4.43Å
238L92.4Very high92.8Very high1 Ų134 Ų341%0.00520%0.198CC..Hα-helixtrans-61.7-40.7172.7-69.2178.9000112.1Y108 Y111 L123 L234 D240 L241 I242 W337Y108-L238 HydrophobicContact CD1-CD2 3.72Å; Y108-L238 HydrophobicContact CE1-CD2 4.11Å; Y111-L238 HydrophobicContact CD1-CB 4.42Å; Y111-L238 HydrophobicContact CD1-CD1 4.43Å; Y111-L238 HydrophobicContact CD1-CD2 3.93Å; Y111-L238 HydrophobicContact CD1-CG 4.49Å; Y111-L238 HydrophobicContact CE1-CB 3.89Å; Y111-L238 HydrophobicContact CE1-CD1 4.09Å; Y111-L238 HydrophobicContact CE1-CD2 4.22Å; Y111-L238 HydrophobicContact CE1-CG 4.29Å; L123-L238 HydrophobicContact CD1-CD1 4.2Å; L123-L238 HydrophobicContact CD2-CD1 4.44Å; L234-L238 HydrophobicContact CD1-CG 4.45Å; L234-L238 HydrophobicContact CD2-CD1 4.41Å; L234-L238 HydrophobicContact CG-CD1 3.97Å; L234-L238 HydrophobicContact CG-CG 4.11Å; L234-L238 WeakPolarHBondContact O-CG 3.48Å; L234-L238 PolarHBondContact O-N 3.48Å; L238-D240 VanDerWaalsContact C-N 3.33Å; L238-L241 HydrophobicContact CD2-CD1 4.41Å; L238-L241 PolarHBondContact O-N 3.32Å; L238-I242 WeakPolarHBondContact O-CG1 3.35Å; L238-I242 PolarHBondContact O-N 2.91Å; L238-W337 HydrophobicContact CD1-CE3 4.44Å; L238-W337 HydrophobicContact CD1-CZ3 4.14Å
239K91.1Very high93Very high107 Ų10735 Ų3547%0.46520%0.195SC..Hα-helixtrans-61.7-42.1174.5-179.7-170172.9-165.70111.4N215 G235 I236 H237 I242 A243N215-K239 PolarHBondContact OD1-NZ 3.09Å; N215-K239 VanDerWaalsContact OD1-NZ 3.07Å; G235-K239 WeakPolarHBondContact O-CB 3.46Å; G235-K239 PolarHBondContact O-N 3.01Å; I236-K239 WeakPolarHBondContact O-CB 3.4Å; I236-K239 PolarHBondContact O-N 3.39Å; H237-K239 VanDerWaalsContact C-N 3.33Å; H237-K239 PolarHBondContact O-N 3.18Å; K239-I242 PolarHBondContact O-N 3.47Å; K239-A243 WeakPolarHBondContact O-CB 3.05Å; K239-A243 PolarHBondContact O-N 3.45Å
240D92.6Very high93Very high35 Ų3536.7 Ų36.719%0.18721%0.205CC..Hα-helixtrans-65.1-42.3177.9-65.6-19.3000111.5R220 I236 H237 L238 A243 V244R220-D240 IonicContact CZ-OD1 3.94Å; R220-D240 IonicContact CZ-OD2 3.23Å; R220-D240 VanDerWaalsContact CZ-OD2 3.23Å; R220-D240 IonicContact NH1-OD2 2.73Å; R220-D240 PolarHBondContact NH1-OD2 2.93Å; R220-D240 VanDerWaalsContact NH2-CG 3.26Å; R220-D240 IonicContact NH2-OD1 2.91Å; R220-D240 PolarHBondContact NH2-OD1 2.98Å; R220-D240 IonicContact NH2-OD2 2.8Å; R220-D240 PolarHBondContact NH2-OD2 3.06Å; I236-D240 PolarHBondContact O-N 3.45Å; I236-D240 VanDerWaalsContact O-N 3.08Å; H237-D240 PolarHBondContact O-N 3.45Å; L238-D240 VanDerWaalsContact C-N 3.33Å; D240-A243 WeakPolarHBondContact O-CB 3.31Å; D240-A243 PolarHBondContact O-N 3.18Å; D240-V244 WeakPolarHBondContact O-CG2 3.42Å; D240-V244 PolarHBondContact O-N 3.09Å
241L93.9Very high93.1Very high1 Ų142.2 Ų42.21%0.00523%0.225CC..Hα-helixtrans-60.9-45.4175.3-72.7167.9000112.3V112 H237 L238 A243 V244 H245 L266 T269 F270 L273V112-L241 HydrophobicContact CG2-CB 3.53Å; V112-L241 HydrophobicContact CG2-CD1 4.1Å; V112-L241 HydrophobicContact CG2-CG 4.35Å; H237-L241 WeakPolarHBondContact O-CG 3.35Å; H237-L241 PolarHBondContact O-N 2.98Å; L238-L241 HydrophobicContact CD2-CD1 4.41Å; L238-L241 PolarHBondContact O-N 3.32Å; L241-A243 VanDerWaalsContact C-N 3.32Å; L241-A243 PolarHBondContact O-N 3.43Å; L241-V244 PolarHBondContact O-N 3.42Å; L241-H245 WeakPolarHBondContact O-CB 3.42Å; L241-H245 PolarHBondContact O-N 3.41Å; L241-L266 HydrophobicContact CD2-CD2 3.83Å; L241-T269 HydrophobicContact CD1-CG2 4.21Å; L241-T269 HydrophobicContact CD2-CG2 3.8Å; L241-T269 HydrophobicContact CG-CG2 3.73Å; L241-F270 HydrophobicContact CD1-CD1 4Å; L241-F270 HydrophobicContact CD1-CE1 3.63Å; L241-F270 HydrophobicContact CD1-CZ 4.37Å; L241-F270 HydrophobicContact CD2-CD1 4.02Å; L241-F270 HydrophobicContact CD2-CD2 4.33Å; L241-F270 HydrophobicContact CD2-CE1 3.78Å; L241-F270 HydrophobicContact CD2-CE2 4.16Å; L241-F270 HydrophobicContact CD2-CG 4.27Å; L241-F270 HydrophobicContact CD2-CZ 3.88Å; L241-F270 HydrophobicContact CG-CE1 4.34Å; L241-L273 HydrophobicContact CD1-CD1 4.18Å
242I91.8Very high92.9Very high40 Ų4045.3 Ų45.321%0.20524%0.244CC..Hα-helixtrans-60.7-44.4174.7-70.4170.6000110.2Y111 L238 K239 V244 H245 V246Y111-I242 HydrophobicContact CD1-CD1 4.25Å; Y111-I242 HydrophobicContact CE1-CD1 3.48Å; Y111-I242 VanDerWaalsContact CE1-CD1 3.48Å; Y111-I242 HydrophobicContact CE1-CG1 4.22Å; L238-I242 WeakPolarHBondContact O-CG1 3.35Å; L238-I242 PolarHBondContact O-N 2.91Å; K239-I242 PolarHBondContact O-N 3.47Å; I242-V244 PolarHBondContact O-N 2.95Å; I242-H245 PolarHBondContact O-N 3.23Å; I242-V246 HydrophobicContact CG2-CG2 4.11Å; I242-V246 WeakPolarHBondContact O-CB 3.46Å; I242-V246 VanDerWaalsContact O-CG2 3.32Å; I242-V246 WeakPolarHBondContact O-CG2 3.46Å; I242-V246 PolarHBondContact O-N 3.34Å
243A92.3Very high92.3Very high49 Ų4946.8 Ų46.841%0.40526%0.26SS..Hα-helixtrans-59.3-47.5-179.900000111.5K239 D240 L241 H245 V246 V247K239-A243 WeakPolarHBondContact O-CB 3.05Å; K239-A243 PolarHBondContact O-N 3.45Å; D240-A243 WeakPolarHBondContact O-CB 3.31Å; D240-A243 PolarHBondContact O-N 3.18Å; L241-A243 VanDerWaalsContact C-N 3.32Å; L241-A243 PolarHBondContact O-N 3.43Å; A243-H245 VanDerWaalsContact C-N 3.34Å; A243-H245 PolarHBondContact O-N 3.07Å; A243-V246 PolarHBondContact O-N 3.47Å; A243-V247 WeakPolarHBondContact O-CB 3.35Å; A243-V247 WeakPolarHBondContact O-CG2 3.46Å; A243-V247 PolarHBondContact O-N 2.94Å
244V93.9Very high91.7Very high25 Ų2555.1 Ų55.115%0.15231%0.305CS..Hα-helixtrans-61.4-43.5175.1173.80000111.1D240 L241 I242 V246 V247 F248 K262 Q265 L266D240-V244 WeakPolarHBondContact O-CG2 3.42Å; D240-V244 PolarHBondContact O-N 3.09Å; L241-V244 PolarHBondContact O-N 3.42Å; I242-V244 PolarHBondContact O-N 2.95Å; V244-V246 VanDerWaalsContact C-N 3.33Å; V244-V246 PolarHBondContact O-N 3.31Å; V244-V247 PolarHBondContact O-N 3.44Å; V244-F248 HydrophobicContact CG1-CD2 4.07Å; V244-F248 PolarHBondContact O-N 2.89Å; V244-F248 VanDerWaalsContact O-N 3.11Å; V244-K262 HydrophobicContact CG1-CG 4.45Å; V244-Q265 HydrophobicContact CG1-CB 3.85Å; V244-Q265 HydrophobicContact CG2-CB 4.41Å; V244-L266 HydrophobicContact CB-CD2 3.93Å; V244-L266 HydrophobicContact CG1-CD2 3.7Å; V244-L266 HydrophobicContact CG1-CG 3.78Å
245H92.3Very high91.3Very high43 Ų4357.2 Ų57.220%0.19933%0.326CS..Hα-helixtrans-61.9-39.9-179-179.673.1000113.1V112 L241 I242 A243 K262V112-H245 HydrophobicContact CG1-CB 3.38Å; V112-H245 PolarHBondContact O-CD2 3.23Å; V112-H245 VanDerWaalsContact O-CD2 3.29Å; L241-H245 WeakPolarHBondContact O-CB 3.42Å; L241-H245 PolarHBondContact O-N 3.41Å; I242-H245 PolarHBondContact O-N 3.23Å; A243-H245 VanDerWaalsContact C-N 3.34Å; A243-H245 PolarHBondContact O-N 3.07Å; H245-K262 PolarHBondContact ND1-NZ 3.14Å; H245-K262 PolarHBondContact O-NZ 3Å
246V91.5Very high91.2Very high111 Ų11162.2 Ų62.267%0.67336%0.356SS*.Hα-helixtrans-77.2-36.9-179.9172.30000112I242 A243 V244I242-V246 HydrophobicContact CG2-CG2 4.11Å; I242-V246 WeakPolarHBondContact O-CB 3.46Å; I242-V246 VanDerWaalsContact O-CG2 3.32Å; I242-V246 WeakPolarHBondContact O-CG2 3.46Å; I242-V246 PolarHBondContact O-N 3.34Å; A243-V246 PolarHBondContact O-N 3.47Å; V244-V246 VanDerWaalsContact C-N 3.33Å; V244-V246 PolarHBondContact O-N 3.31Å
247V93.1Very high91.1Very high100 Ų10067.5 Ų67.561%0.60638%0.382SS*.Hα-helixtrans-74.6-40.9-175.6169.40000112A243 V244A243-V247 WeakPolarHBondContact O-CB 3.35Å; A243-V247 WeakPolarHBondContact O-CG2 3.46Å; A243-V247 PolarHBondContact O-N 2.94Å; V244-V247 PolarHBondContact O-N 3.44Å
248F92.4Very high91.2Very high60 Ų6070.2 Ų70.226%0.26340%0.399SS..SBendtrans-103.2133.3-174.9-64.6-82.7000111.7V244 V261 K262V244-F248 HydrophobicContact CG1-CD2 4.07Å; V244-F248 PolarHBondContact O-N 2.89Å; V244-F248 VanDerWaalsContact O-N 3.11Å; F248-V261 HydrophobicContact CE1-CG1 4.37Å; F248-K262 HydrophobicContact CB-CB 3.76Å; F248-K262 HydrophobicContact CB-CD 3.96Å; F248-K262 HydrophobicContact CB-CG 3.83Å; F248-K262 HydrophobicContact CG-CB 4.49Å; F248-K262 VanDerWaalsContact O-CD 3.29Å; F248-K262 WeakPolarHBondContact O-CD 3.3Å; F248-K262 VanDerWaalsContact O-CE 3.23Å; F248-K262 WeakPolarHBondContact O-CE 3.41Å; F248-K262 PolarHBondContact O-NZ 3.23Å
249P92.8Very high91.3Very high78 Ų7871 Ų7151%0.50640%0.403SS..  trans-71.1150.7172.531-35.1000110.7W251 N259P249-W251 VanDerWaalsContact C-N 3.28Å; P249-W251 PolarHBondContact O-N 3.32Å; P249-N259 WeakPolarHBondContact O-CB 3.46Å; P249-N259 PolarHBondContact O-ND2 3.49Å
250D90.9Very high91.4Very high66 Ų6672.4 Ų72.435%0.35341%0.413SS..SBendtrans-68-30.9176.6-65-41000112.4N259 K262D250-N259 WeakPolarHBondContact O-CB 3.47Å; D250-N259 PolarHBondContact O-N 3.3Å; D250-K262 WeakPolarHBondContact OD1-CD 3.47Å; D250-K262 WeakPolarHBondContact OD1-CE 3.4Å; D250-K262 IonicContact OD1-NZ 2.54Å; D250-K262 PolarHBondContact OD1-NZ 3.03Å; D250-K262 IonicContact OD2-NZ 3.76Å
251W93.8Very high91.5Very high144 Ų14474.6 Ų74.655%0.54543%0.428SS..EExtended strand (participates in β ladder)trans-124.2149.8-175.8-53.990.6000112.1P249 M257 V258P249-W251 VanDerWaalsContact C-N 3.28Å; P249-W251 PolarHBondContact O-N 3.32Å; W251-M257 CarbonylContact C-O 3.49Å; W251-M257 VanDerWaalsContact CA-O 3.27Å; W251-M257 WeakPolarHBondContact CA-O 3.36Å; W251-V258 HydrophobicContact CE3-CG2 4.02Å; W251-V258 HydrophobicContact CH2-CG2 3.92Å; W251-V258 HydrophobicContact CZ3-CG2 3.49Å; W251-V258 VanDerWaalsContact CZ3-CG2 3.49Å
252V91.8Very high91.5Very high68 Ų6874.7 Ų74.741%0.41243%0.428SS..EExtended strand (participates in β ladder)trans-127.2157.1177.7-168.70000108.7T256 M257 N259V252-T256 PolarHBondContact O-N 2.95Å; V252-M257 PolarHBondContact N-O 3.16Å; V252-M257 PolarHBondContact O-N 2.93Å; V252-M257 VanDerWaalsContact O-N 3.08Å; V252-N259 HydrophobicContact CG2-CB 3.71Å
253G82.3Confident91.7Very high35 Ų3576.4 Ų76.436%0.36144%0.436SS..THydrogen-bonded Turntrans64.162.6176.800000112G255 T256G253-G255 PolarHBondContact O-N 3.49Å; G253-G255 VanDerWaalsContact O-N 3.12Å; G253-T256 PolarHBondContact O-N 3.44Å; G253-T256 VanDerWaalsContact O-N 3.15Å; G253-T256 PolarHBondContact O-OG1 3.44Å
254D83.5Confident91.7Very high176 Ų17679.4 Ų79.494%0.94144%0.442SS*.THydrogen-bonded Turntrans56.725.1179.1-55.5-26.4000115.4
255G85.8Confident91.8Very high44 Ų4481.4 Ų81.445%0.45445%0.449SS..THydrogen-bonded Turntrans93.27.1178.100000114.9G253G253-G255 PolarHBondContact O-N 3.49Å; G253-G255 VanDerWaalsContact O-N 3.12Å
256T89.9Confident91.9Very high110 Ų11080.1 Ų80.168%0.67544%0.444SS*.THydrogen-bonded Turntrans-92.3-24.1-174.761.20000114.3V252 G253V252-T256 PolarHBondContact O-N 2.95Å; G253-T256 PolarHBondContact O-N 3.44Å; G253-T256 VanDerWaalsContact O-N 3.15Å; G253-T256 PolarHBondContact O-OG1 3.44Å
257M92.2Very high92Very high115 Ų11580.9 Ų80.957%0.56744%0.436SS*.EExtended strand (participates in β ladder)trans-120.8138.4-176.3-64.8-170.9-7300111.7W251 V252W251-M257 CarbonylContact C-O 3.49Å; W251-M257 VanDerWaalsContact CA-O 3.27Å; W251-M257 WeakPolarHBondContact CA-O 3.36Å; V252-M257 PolarHBondContact N-O 3.16Å; V252-M257 PolarHBondContact O-N 2.93Å; V252-M257 VanDerWaalsContact O-N 3.08Å
258V94.3Very high92Very high67 Ų6780.3 Ų80.341%0.40643%0.427SS..EExtended strand (participates in β ladder)trans-71.4137.1174.2178.20000110W251 M260 M263W251-V258 HydrophobicContact CE3-CG2 4.02Å; W251-V258 HydrophobicContact CH2-CG2 3.92Å; W251-V258 HydrophobicContact CZ3-CG2 3.49Å; W251-V258 VanDerWaalsContact CZ3-CG2 3.49Å; V258-M260 HydrophobicContact CG1-SD 4.48Å; V258-M260 PolarHBondContact O-N 3.39Å; V258-M263 HydrophobicContact CG1-CE 3.99Å; V258-M263 HydrophobicContact CG1-CG 3.83Å
259N94.8Very high92Very high16 Ų1678.6 Ų78.69%0.08642%0.422CS..  trans-74.891.4175.5-170.7-14.9000111.8P249 D250 V252 V261 K262 M263P249-N259 WeakPolarHBondContact O-CB 3.46Å; P249-N259 PolarHBondContact O-ND2 3.49Å; D250-N259 WeakPolarHBondContact O-CB 3.47Å; D250-N259 PolarHBondContact O-N 3.3Å; V252-N259 HydrophobicContact CG2-CB 3.71Å; N259-V261 PolarHBondContact O-N 3.39Å; N259-V261 WeakPolarHBondContact OD1-CB 3.42Å; N259-V261 PolarHBondContact OD1-N 2.94Å; N259-V261 VanDerWaalsContact OD1-N 3.14Å; N259-K262 HydrophobicContact CB-CB 4.04Å; N259-K262 WeakPolarHBondContact O-CB 3.43Å; N259-K262 PolarHBondContact O-N 3.04Å; N259-K262 PolarHBondContact OD1-N 3.49Å; N259-M263 WeakPolarHBondContact O-CG 3.45Å; N259-M263 PolarHBondContact O-N 3.49Å; N259-M263 VanDerWaalsContact O-N 3.09Å
260M94.6Very high92Very high137 Ų13775.7 Ų75.768%0.67540%0.401SS*.Hα-helixtrans-62.9-25.9-179.9-64.8-58.1-68.600113.7V258 H264V258-M260 HydrophobicContact CG1-SD 4.48Å; V258-M260 PolarHBondContact O-N 3.39Å; M260-H264 VanDerWaalsContact O-CB 3.27Å; M260-H264 WeakPolarHBondContact O-CB 3.36Å; M260-H264 PolarHBondContact O-N 3.26Å
261V93.6Very high92Very high82 Ų8276.1 Ų76.150%0.49740%0.404SS..Hα-helixtrans-67-46.1176-179.50000110.1F248 N259 H264 Q265F248-V261 HydrophobicContact CE1-CG1 4.37Å; N259-V261 PolarHBondContact O-N 3.39Å; N259-V261 WeakPolarHBondContact OD1-CB 3.42Å; N259-V261 PolarHBondContact OD1-N 2.94Å; N259-V261 VanDerWaalsContact OD1-N 3.14Å; V261-H264 PolarHBondContact O-N 3.41Å; V261-Q265 WeakPolarHBondContact O-CG 3.32Å; V261-Q265 PolarHBondContact O-N 3.37Å
262K94.6Very high91.8Very high3 Ų372.1 Ų72.11%0.01339%0.391CS..Hα-helixtrans-59.1-50.2174.2-175.3179-170.3167.60111V244 H245 F248 D250 N259 H264 Q265 L266V244-K262 HydrophobicContact CG1-CG 4.45Å; H245-K262 PolarHBondContact ND1-NZ 3.14Å; H245-K262 PolarHBondContact O-NZ 3Å; F248-K262 HydrophobicContact CB-CB 3.76Å; F248-K262 HydrophobicContact CB-CD 3.96Å; F248-K262 HydrophobicContact CB-CG 3.83Å; F248-K262 HydrophobicContact CG-CB 4.49Å; F248-K262 VanDerWaalsContact O-CD 3.29Å; F248-K262 WeakPolarHBondContact O-CD 3.3Å; F248-K262 VanDerWaalsContact O-CE 3.23Å; F248-K262 WeakPolarHBondContact O-CE 3.41Å; F248-K262 PolarHBondContact O-NZ 3.23Å; D250-K262 WeakPolarHBondContact OD1-CD 3.47Å; D250-K262 WeakPolarHBondContact OD1-CE 3.4Å; D250-K262 IonicContact OD1-NZ 2.54Å; D250-K262 PolarHBondContact OD1-NZ 3.03Å; D250-K262 IonicContact OD2-NZ 3.76Å; N259-K262 HydrophobicContact CB-CB 4.04Å; N259-K262 WeakPolarHBondContact O-CB 3.43Å; N259-K262 PolarHBondContact O-N 3.04Å; N259-K262 PolarHBondContact OD1-N 3.49Å; K262-H264 VanDerWaalsContact C-N 3.32Å; K262-H264 PolarHBondContact O-N 3.27Å; K262-Q265 PolarHBondContact O-N 3.27Å; K262-L266 HydrophobicContact CG-CD1 3.95Å; K262-L266 HydrophobicContact CG-CG 4.41Å; K262-L266 WeakPolarHBondContact O-CG 3.49Å; K262-L266 PolarHBondContact O-N 3.2Å
263M94.6Very high91.8Very high76 Ų7669 Ų6937%0.37437%0.372SS..Hα-helixtrans-60-43.4-177.9-64.5-58.1154.300111.6V258 N259 Y267V258-M263 HydrophobicContact CG1-CE 3.99Å; V258-M263 HydrophobicContact CG1-CG 3.83Å; N259-M263 WeakPolarHBondContact O-CG 3.45Å; N259-M263 PolarHBondContact O-N 3.49Å; N259-M263 VanDerWaalsContact O-N 3.09Å; M263-Y267 WeakPolarHBondContact O-CB 3.16Å; M263-Y267 PolarHBondContact O-N 3.22Å
264H94.1Very high91.9Very high112 Ų11269.9 Ų69.952%0.51937%0.37SS..Hα-helixtrans-64.1-45.3177.5-176.2-87.6000112.2M260 V261 K262 Y267 M268M260-H264 VanDerWaalsContact O-CB 3.27Å; M260-H264 WeakPolarHBondContact O-CB 3.36Å; M260-H264 PolarHBondContact O-N 3.26Å; V261-H264 PolarHBondContact O-N 3.41Å; K262-H264 VanDerWaalsContact C-N 3.32Å; K262-H264 PolarHBondContact O-N 3.27Å; H264-Y267 PolarHBondContact O-N 3.15Å; H264-M268 WeakPolarHBondContact O-CG 3.32Å; H264-M268 PolarHBondContact O-N 2.9Å
265Q94.2Very high92Very high67 Ų6764 Ų6431%0.31334%0.343SS..Hα-helixtrans-63.8-44.8179.5-73.8-178.4-1.100112.5V244 V261 K262 Y267 M268V244-Q265 HydrophobicContact CG1-CB 3.85Å; V244-Q265 HydrophobicContact CG2-CB 4.41Å; V261-Q265 WeakPolarHBondContact O-CG 3.32Å; V261-Q265 PolarHBondContact O-N 3.37Å; K262-Q265 PolarHBondContact O-N 3.27Å; Q265-Y267 VanDerWaalsContact C-N 3.35Å; Q265-M268 PolarHBondContact O-N 3Å
266L94.4Very high92.1Very high16 Ų1662.6 Ų62.68%0.08433%0.325CS..Hα-helixtrans-61.9-44.1174.5-70.6175.6000111.3L241 V244 K262 M268 T269 F270L241-L266 HydrophobicContact CD2-CD2 3.83Å; V244-L266 HydrophobicContact CB-CD2 3.93Å; V244-L266 HydrophobicContact CG1-CD2 3.7Å; V244-L266 HydrophobicContact CG1-CG 3.78Å; K262-L266 HydrophobicContact CG-CD1 3.95Å; K262-L266 HydrophobicContact CG-CG 4.41Å; K262-L266 WeakPolarHBondContact O-CG 3.49Å; K262-L266 PolarHBondContact O-N 3.2Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-M268 PolarHBondContact O-N 3.49Å; L266-T269 PolarHBondContact O-N 2.98Å; L266-F270 HydrophobicContact CB-CD2 4.03Å; L266-F270 HydrophobicContact CB-CE2 3.84Å; L266-F270 HydrophobicContact CD2-CE2 4.46Å; L266-F270 WeakPolarHBondContact O-CD2 3.48Å; L266-F270 WeakPolarHBondContact O-CG 3.42Å; L266-F270 PolarHBondContact O-N 3.21Å
267Y93.9Very high91.7Very high127 Ų12758.7 Ų58.750%0.49830%0.299SS..Hα-helixtrans-58.8-41.4179169.2-108.8000112.4M263 H264 Q265 T269 F270 N271M263-Y267 WeakPolarHBondContact O-CB 3.16Å; M263-Y267 PolarHBondContact O-N 3.22Å; H264-Y267 PolarHBondContact O-N 3.15Å; Q265-Y267 VanDerWaalsContact C-N 3.35Å; Y267-T269 VanDerWaalsContact C-N 3.33Å; Y267-T269 PolarHBondContact O-N 2.54Å; Y267-F270 PolarHBondContact O-N 2.84Å; Y267-N271 HydrophobicContact CD2-CB 4.18Å; Y267-N271 HydrophobicContact CE2-CB 3.79Å; Y267-N271 WeakPolarHBondContact O-CB 3.28Å; Y267-N271 PolarHBondContact O-N 2.98Å
268M93.6Very high90.8Very high87 Ų8757.7 Ų57.743%0.42930%0.303SS..Hα-helixtrans-55.6-48.3177.6-69.5-66.899.400111.8H264 Q265 L266 E272H264-M268 WeakPolarHBondContact O-CG 3.32Å; H264-M268 PolarHBondContact O-N 2.9Å; Q265-M268 PolarHBondContact O-N 3Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-M268 PolarHBondContact O-N 3.49Å; M268-E272 PolarHBondContact O-N 3.49Å; M268-E272 VanDerWaalsContact O-N 3.13Å
269T93.1Very high89.9Confident24 Ų2456.8 Ų56.815%0.14730%0.298CS..Hα-helixtrans-72.6-42.9-179.9-53.60000112.2H237 L241 L266 Y267 N271 E272 L273H237-T269 HydrophobicContact CB-CG2 4.27Å; L241-T269 HydrophobicContact CD1-CG2 4.21Å; L241-T269 HydrophobicContact CD2-CG2 3.8Å; L241-T269 HydrophobicContact CG-CG2 3.73Å; L266-T269 PolarHBondContact O-N 2.98Å; Y267-T269 VanDerWaalsContact C-N 3.33Å; Y267-T269 PolarHBondContact O-N 2.54Å; T269-N271 PolarHBondContact O-N 3.11Å; T269-E272 PolarHBondContact O-N 2.73Å; T269-L273 HydrophobicContact CG2-CD1 4.45Å; T269-L273 WeakPolarHBondContact O-CG 3.44Å; T269-L273 PolarHBondContact O-N 2.88Å
270F92Very high88.7Confident18 Ų1862 Ų628%0.07933%0.33CS..Hα-helixtrans-60.9-45.2176.3-73.3-49.5000112.2F105 V112 L241 L266 Y267 E272 L273 V274F105-F270 HydrophobicContact CD2-CB 4.33Å; F105-F270 HydrophobicContact CD2-CD1 4.29Å; F105-F270 HydrophobicContact CD2-CD2 4.48Å; F105-F270 HydrophobicContact CD2-CG 4.15Å; F105-F270 HydrophobicContact CE2-CB 4.15Å; F105-F270 HydrophobicContact CE2-CD1 4.14Å; F105-F270 AromaticContact CE2-CD2 3.63Å; F105-F270 HydrophobicContact CE2-CD2 3.63Å; F105-F270 HydrophobicContact CE2-CE1 4.45Å; F105-F270 AromaticContact CE2-CE2 3.94Å; F105-F270 HydrophobicContact CE2-CE2 3.94Å; F105-F270 AromaticContact CE2-CG 3.73Å; F105-F270 HydrophobicContact CE2-CG 3.73Å; F105-F270 HydrophobicContact CE2-CZ 4.35Å; F105-F270 HydrophobicContact CZ-CD2 4.45Å; F105-F270 HydrophobicContact CZ-CE2 4.43Å; V112-F270 HydrophobicContact CG2-CZ 4.35Å; L241-F270 HydrophobicContact CD1-CD1 4Å; L241-F270 HydrophobicContact CD1-CE1 3.63Å; L241-F270 HydrophobicContact CD1-CZ 4.37Å; L241-F270 HydrophobicContact CD2-CD1 4.02Å; L241-F270 HydrophobicContact CD2-CD2 4.33Å; L241-F270 HydrophobicContact CD2-CE1 3.78Å; L241-F270 HydrophobicContact CD2-CE2 4.16Å; L241-F270 HydrophobicContact CD2-CG 4.27Å; L241-F270 HydrophobicContact CD2-CZ 3.88Å; L241-F270 HydrophobicContact CG-CE1 4.34Å; L266-F270 HydrophobicContact CB-CD2 4.03Å; L266-F270 HydrophobicContact CB-CE2 3.84Å; L266-F270 HydrophobicContact CD2-CE2 4.46Å; L266-F270 WeakPolarHBondContact O-CD2 3.48Å; L266-F270 WeakPolarHBondContact O-CG 3.42Å; L266-F270 PolarHBondContact O-N 3.21Å; Y267-F270 PolarHBondContact O-N 2.84Å; F270-E272 VanDerWaalsContact C-N 3.32Å; F270-E272 PolarHBondContact O-N 3.36Å; F270-L273 PolarHBondContact O-N 3.07Å; F270-V274 WeakPolarHBondContact O-CB 3.29Å; F270-V274 WeakPolarHBondContact O-CG2 3.31Å; F270-V274 PolarHBondContact O-N 3.17Å
271N90.3Very high87.3Confident75 Ų7556.8 Ų56.840%0.40131%0.307SS..Hα-helixtrans-63.9-39.4-179.9-174.561.8000111.2Y267 T269 S275Y267-N271 HydrophobicContact CD2-CB 4.18Å; Y267-N271 HydrophobicContact CE2-CB 3.79Å; Y267-N271 WeakPolarHBondContact O-CB 3.28Å; Y267-N271 PolarHBondContact O-N 2.98Å; T269-N271 PolarHBondContact O-N 3.11Å; N271-S275 WeakPolarHBondContact O-CB 3.45Å; N271-S275 PolarHBondContact O-N 2.8Å; N271-S275 PolarHBondContact O-OG 3.27Å
272E90.4Very high85.9Confident59 Ų5961.7 Ų61.728%0.27633%0.325SS..Hα-helixtrans-59-53.6172.5-175.4170.2-146.900110.9F223 H237 M268 T269 F270 V274 S275 L276F223-E272 WeakPolarHBondContact CE1-OE1 3.22Å; H237-E272 IonicContact CE1-OE2 3.84Å; M268-E272 PolarHBondContact O-N 3.49Å; M268-E272 VanDerWaalsContact O-N 3.13Å; T269-E272 PolarHBondContact O-N 2.73Å; F270-E272 VanDerWaalsContact C-N 3.32Å; F270-E272 PolarHBondContact O-N 3.36Å; E272-V274 PolarHBondContact O-N 3.25Å; E272-S275 PolarHBondContact O-N 3.39Å; E272-S275 PolarHBondContact O-OG 2.87Å; E272-L276 HydrophobicContact CG-CD1 4.36Å; E272-L276 VanDerWaalsContact O-CG 3.28Å; E272-L276 WeakPolarHBondContact O-CG 3.42Å; E272-L276 PolarHBondContact O-N 3.35Å
273L90.9Very high84.7Confident3 Ų362.5 Ų62.52%0.01633%0.329CS..Hα-helixtrans-59.9-43.4-179-68.2177.2000113.4Y108 P232 L234 H237 L241 T269 F270Y108-L273 HydrophobicContact CE1-CD1 4.28Å; Y108-L273 HydrophobicContact CE2-CB 4.23Å; Y108-L273 HydrophobicContact CE2-CD1 4.39Å; P232-L273 HydrophobicContact CB-CD2 4.49Å; P232-L273 HydrophobicContact CG-CD2 3.86Å; L234-L273 HydrophobicContact CD1-CD1 4.42Å; L234-L273 HydrophobicContact CD1-CD2 4.11Å; H237-L273 HydrophobicContact CB-CD1 4.15Å; H237-L273 HydrophobicContact CB-CD2 4Å; H237-L273 HydrophobicContact CB-CG 4.43Å; L241-L273 HydrophobicContact CD1-CD1 4.18Å; T269-L273 HydrophobicContact CG2-CD1 4.45Å; T269-L273 WeakPolarHBondContact O-CG 3.44Å; T269-L273 PolarHBondContact O-N 2.88Å; F270-L273 PolarHBondContact O-N 3.07Å
274V85.5Confident83.2Confident54 Ų5464.5 Ų64.533%0.32734%0.338SS..Hα-helixtrans-70.3-38.81801740000110.9F270 E272 L276 Q277F270-V274 WeakPolarHBondContact O-CB 3.29Å; F270-V274 WeakPolarHBondContact O-CG2 3.31Å; F270-V274 PolarHBondContact O-N 3.17Å; E272-V274 PolarHBondContact O-N 3.25Å; V274-L276 PolarHBondContact O-N 2.85Å; V274-Q277 WeakPolarHBondContact O-CB 3.48Å; V274-Q277 PolarHBondContact O-N 3.08Å; V274-Q277 VanDerWaalsContact O-N 3.09Å
275S85.8Confident82Confident53 Ų5360.1 Ų60.137%0.37132%0.32SS..Hα-helixtrans-60.2-36179.173.20000112.4N271 E272 Q277 S278N271-S275 WeakPolarHBondContact O-CB 3.45Å; N271-S275 PolarHBondContact O-N 2.8Å; N271-S275 PolarHBondContact O-OG 3.27Å; E272-S275 PolarHBondContact O-N 3.39Å; E272-S275 PolarHBondContact O-OG 2.87Å; S275-Q277 PolarHBondContact O-N 2.73Å; S275-S278 PolarHBondContact O-N 3.39Å; S275-S278 PolarHBondContact O-OG 3.25Å
276L86.5Confident80.9Confident13 Ų1358.1 Ų58.17%0.06831%0.311CS..Hα-helixtrans-65.5-24.1179-64.3168.2000113F223 K230 P232 E272 V274 S278F223-L276 HydrophobicContact CZ-CD1 3.91Å; K230-L276 HydrophobicContact CD-CD2 4.27Å; K230-L276 HydrophobicContact CG-CD2 3.53Å; P232-L276 HydrophobicContact CB-CD1 4.42Å; P232-L276 HydrophobicContact CG-CD1 3.81Å; E272-L276 HydrophobicContact CG-CD1 4.36Å; E272-L276 VanDerWaalsContact O-CG 3.28Å; E272-L276 WeakPolarHBondContact O-CG 3.42Å; E272-L276 PolarHBondContact O-N 3.35Å; V274-L276 PolarHBondContact O-N 2.85Å; L276-S278 VanDerWaalsContact C-N 3.29Å; L276-S278 PolarHBondContact O-N 2.9Å
277Q82.6Confident79.8Confident29 Ų2958.8 Ų58.814%0.13631%0.314CS..THydrogen-bonded Turntrans-75.3-19178.9-62.2173.4-10.100113.5I100 R101 I103 V274 S275I100-Q277 HydrophobicContact CG2-CG 4.1Å; I100-Q277 PolarHBondContact O-NE2 2.79Å; R101-Q277 HydrophobicContact CG-CB 4.34Å; R101-Q277 PolarHBondContact NE-O 2.65Å; I103-Q277 PolarHBondContact O-NE2 3.46Å; I103-Q277 PolarHBondContact O-OE1 3.08Å; V274-Q277 WeakPolarHBondContact O-CB 3.48Å; V274-Q277 PolarHBondContact O-N 3.08Å; V274-Q277 VanDerWaalsContact O-N 3.09Å; S275-Q277 PolarHBondContact O-N 2.73Å
278S73.7Confident78.5Confident94 Ų9453.2 Ų53.266%0.65729%0.293SS*.THydrogen-bonded Turntrans-86.4-14.3-175.871.60000113.8S275 L276S275-S278 PolarHBondContact O-N 3.39Å; S275-S278 PolarHBondContact O-OG 3.25Å; L276-S278 VanDerWaalsContact C-N 3.29Å; L276-S278 PolarHBondContact O-N 2.9Å
279V75.5Confident77.3Confident48 Ų4849.4 Ų49.429%0.29127%0.274SS..SBendtrans-71.7132.6-176.6-1750000110.4F97 F229 S281F97-V279 WeakPolarHBondContact CZ-O 3.48Å; F229-V279 HydrophobicContact CB-CG1 4.07Å; F229-V279 HydrophobicContact CD2-CG1 4.2Å; V279-S281 PolarHBondContact O-N 2.92Å
280V68.1Low76.3Confident125 Ų12548.4 Ų48.476%0.75827%0.268SS*.PPolyproline II helixtrans-69.9120.6175.3-178.50000108.8Q282V280-Q282 PolarHBondContact O-N 3.33Å
281S66.4Low75.2Confident28 Ų2849 Ų4920%0.19627%0.27CS..PPolyproline II helixtrans-65.6134172.8-178.20000109.9V279 V283V279-S281 PolarHBondContact O-N 2.92Å; S281-V283 VanDerWaalsContact C-N 3.26Å; S281-V283 PolarHBondContact OG-N 3.01Å
282Q64.6Low74.2Confident185 Ų18545.6 Ų45.686%0.86425%0.252SS*.  trans-84.8-0.3174.6-64.1-175.6-6.600112.7V280V280-Q282 PolarHBondContact O-N 3.33Å
283V67.8Low73.3Confident19 Ų1943 Ų4312%0.11524%0.239CC..  trans-85.2127.2-173.6-1750000110.5E90 T93 F94 S281 P285E90-V283 HydrophobicContact CB-CG1 3.63Å; E90-V283 HydrophobicContact CG-CG1 4.08Å; E90-V283 WeakPolarHBondContact O-CG1 3.32Å; T93-V283 HydrophobicContact CG2-CG2 4.44Å; F94-V283 HydrophobicContact CB-CG1 4.41Å; S281-V283 VanDerWaalsContact C-N 3.26Å; S281-V283 PolarHBondContact OG-N 3.01Å; V283-P285 WeakPolarHBondContact O-CD 3.4Å
284E64.8Low72.2Confident118 Ų11844.4 Ų44.455%0.55125%0.249SC*.  trans-98.890.9172.4-69.4-168.3154.400110.4K73K73-E284 IonicContact NZ-OE2 3.27Å; K73-E284 PolarHBondContact NZ-OE2 3.01Å
285P68.6Low71.4Confident21 Ų2142.6 Ų42.614%0.13624%0.237CC..  trans-73142.3-179.233.3-39.8000111.6Q70 F94 V283 M287 V290Q70-P285 PolarHBondContact NE2-O 3.42Å; F94-P285 HydrophobicContact CB-CB 4.16Å; F94-P285 HydrophobicContact CB-CG 4.47Å; F94-P285 HydrophobicContact CD1-CB 3.75Å; F94-P285 HydrophobicContact CD1-CG 3.74Å; F94-P285 HydrophobicContact CD2-CB 4.19Å; F94-P285 HydrophobicContact CD2-CG 3.6Å; F94-P285 HydrophobicContact CE1-CB 4.13Å; F94-P285 HydrophobicContact CE1-CG 3.7Å; F94-P285 HydrophobicContact CE2-CG 3.58Å; F94-P285 HydrophobicContact CG-CB 3.75Å; F94-P285 HydrophobicContact CG-CG 3.65Å; F94-P285 HydrophobicContact CZ-CB 4.48Å; F94-P285 HydrophobicContact CZ-CG 3.59Å; V283-P285 WeakPolarHBondContact O-CD 3.4Å; P285-M287 PolarHBondContact O-N 3Å; P285-V290 HydrophobicContact CB-CG2 3.84Å
286N71.6Confident70.5Confident25 Ų2540.1 Ų40.113%0.13422%0.22CC..  trans-72.9112.8156.5-174.7-14.1000109.1H91 D288 L289 V290H91-N286 WeakPolarHBondContact NE2-CA 3.21Å; H91-N286 VanDerWaalsContact NE2-CB 3.31Å; H91-N286 WeakPolarHBondContact NE2-CB 3.3Å; H91-N286 PolarHBondContact NE2-N 2.86Å; N286-D288 PolarHBondContact O-N 2.95Å; N286-D288 WeakPolarHBondContact OD1-CB 3.42Å; N286-D288 PolarHBondContact OD1-N 3.28Å; N286-L289 HydrophobicContact CB-CB 4.36Å; N286-L289 PolarHBondContact O-N 3.31Å; N286-V290 WeakPolarHBondContact O-CG2 3.1Å; N286-V290 PolarHBondContact O-N 3.03Å; N286-V290 VanDerWaalsContact O-N 3.07Å
287M70.9Confident69.7Low30 Ų3040.2 Ų40.215%0.14822%0.22CC..Hα-helixtrans-62.2-24.3-178-71.6-60.3-50.600113.4T65 P285 V290 Y291T65-M287 HydrophobicContact CG2-CE 4.38Å; T65-M287 HydrophobicContact CG2-SD 4.14Å; P285-M287 PolarHBondContact O-N 3Å; M287-V290 HydrophobicContact CE-CG1 4.45Å; M287-Y291 HydrophobicContact CB-CE2 4.41Å; M287-Y291 HydrophobicContact CE-CE1 3.94Å; M287-Y291 HydrophobicContact CE-CE2 4.42Å; M287-Y291 WeakPolarHBondContact CE-OH 3.4Å; M287-Y291 WeakPolarHBondContact O-CD2 3.24Å; M287-Y291 PolarHBondContact O-N 3.38Å; M287-Y291 VanDerWaalsContact O-N 3.11Å
288D65.2Low68.8Low10 Ų1040.7 Ų40.75%0.05322%0.224CC..Hα-helixtrans-69.5-48176.6-75.2-37.8000112.1L78 N286 V290 Y291 L292 S360 R363 N364L78-D288 HydrophobicContact CD2-CB 4.16Å; N286-D288 PolarHBondContact O-N 2.95Å; N286-D288 WeakPolarHBondContact OD1-CB 3.42Å; N286-D288 PolarHBondContact OD1-N 3.28Å; D288-V290 VanDerWaalsContact C-N 3.27Å; D288-V290 PolarHBondContact O-N 3.02Å; D288-Y291 PolarHBondContact O-N 2.98Å; D288-Y291 VanDerWaalsContact O-N 3.12Å; D288-L292 PolarHBondContact O-N 3.33Å; D288-S360 WeakPolarHBondContact CA-OG 3.31Å; D288-S360 WeakPolarHBondContact CB-OG 3.36Å; D288-S360 PolarHBondContact O-OG 3.27Å; D288-S360 VanDerWaalsContact OD1-CB 3.25Å; D288-S360 WeakPolarHBondContact OD1-CB 3.41Å; D288-S360 PolarHBondContact OD1-OG 3.05Å; D288-R363 IonicContact OD1-CZ 3.78Å; D288-R363 IonicContact OD1-NE 3.54Å; D288-R363 IonicContact OD1-NH1 2.94Å; D288-R363 IonicContact OD1-NH2 2.84Å; D288-R363 PolarHBondContact OD1-NH2 3.31Å; D288-R363 IonicContact OD2-CZ 2.95Å; D288-R363 VanDerWaalsContact OD2-CZ 3.31Å; D288-R363 IonicContact OD2-NE 2.84Å; D288-R363 PolarHBondContact OD2-NE 3.21Å; D288-R363 IonicContact OD2-NH2 3.84Å; D288-R363 PolarHBondContact OD2-NH2 2.96Å; D288-N364 VanDerWaalsContact CG-ND2 3.33Å; D288-N364 PolarHBondContact OD2-ND2 3.46Å
289L69.9Low68.1Low7 Ų738.5 Ų38.54%0.03720%0.204CC..Hα-helixtrans-64.7-34.6174.9-171.662.9000111.6L78 L83 H91 N286 Y291 L292 L293L78-L289 HydrophobicContact CD2-CB 4.07Å; L78-L289 HydrophobicContact CD2-CD1 4.11Å; L83-L289 HydrophobicContact CD1-CD2 3.59Å; L83-L289 HydrophobicContact CD2-CD1 4.3Å; L83-L289 HydrophobicContact CD2-CD2 3.72Å; L83-L289 HydrophobicContact CG-CD2 4.32Å; H91-L289 HydrophobicContact CB-CD2 4.4Å; N286-L289 HydrophobicContact CB-CB 4.36Å; N286-L289 PolarHBondContact O-N 3.31Å; L289-Y291 VanDerWaalsContact C-N 3.34Å; L289-Y291 PolarHBondContact O-N 2.68Å; L289-L292 HydrophobicContact CD1-CD2 4.31Å; L289-L292 PolarHBondContact O-N 3.35Å; L289-L293 HydrophobicContact CG-CD1 4.12Å; L289-L293 HydrophobicContact CG-CG 4.4Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 VanDerWaalsContact O-CG 3.29Å; L289-L293 WeakPolarHBondContact O-CG 3.14Å; L289-L293 PolarHBondContact O-N 3.49Å
290V71Confident67.3Low2 Ų241.3 Ų41.31%0.01221%0.211CC..Hα-helixtrans-59.9-42.8172.6171.10000111.6F94 L95 P285 N286 M287 D288 T294F94-V290 HydrophobicContact CD1-CG2 3.9Å; F94-V290 HydrophobicContact CE1-CG1 4.47Å; F94-V290 HydrophobicContact CE1-CG2 4.2Å; L95-V290 HydrophobicContact CD2-CG1 3.75Å; L95-V290 HydrophobicContact CG-CG1 4.48Å; P285-V290 HydrophobicContact CB-CG2 3.84Å; N286-V290 WeakPolarHBondContact O-CG2 3.1Å; N286-V290 PolarHBondContact O-N 3.03Å; N286-V290 VanDerWaalsContact O-N 3.07Å; M287-V290 HydrophobicContact CE-CG1 4.45Å; D288-V290 VanDerWaalsContact C-N 3.27Å; D288-V290 PolarHBondContact O-N 3.02Å; V290-T294 WeakPolarHBondContact O-CB 3.41Å; V290-T294 PolarHBondContact O-N 2.88Å; V290-T294 PolarHBondContact O-OG1 3.11Å
291Y68.6Low67.3Low30 Ų3037.8 Ų37.812%0.11818%0.184CC..Hα-helixtrans-68.2-38.2178.5-65-39.9000112.3R67 M287 D288 L289 T294 L295 K356R67-Y291 PolarHBondContact NH2-OH 3Å; M287-Y291 HydrophobicContact CB-CE2 4.41Å; M287-Y291 HydrophobicContact CE-CE1 3.94Å; M287-Y291 HydrophobicContact CE-CE2 4.42Å; M287-Y291 WeakPolarHBondContact CE-OH 3.4Å; M287-Y291 WeakPolarHBondContact O-CD2 3.24Å; M287-Y291 PolarHBondContact O-N 3.38Å; M287-Y291 VanDerWaalsContact O-N 3.11Å; D288-Y291 PolarHBondContact O-N 2.98Å; D288-Y291 VanDerWaalsContact O-N 3.12Å; L289-Y291 VanDerWaalsContact C-N 3.34Å; L289-Y291 PolarHBondContact O-N 2.68Å; Y291-T294 PolarHBondContact O-N 3.38Å; Y291-L295 PolarHBondContact O-N 3.24Å; Y291-K356 HydrophobicContact CD1-CB 4.24Å; Y291-K356 HydrophobicContact CD1-CD 4.22Å; Y291-K356 HydrophobicContact CD2-CB 4.25Å; Y291-K356 HydrophobicContact CE1-CD 3.79Å; Y291-K356 HydrophobicContact CE2-CB 4.49Å; Y291-K356 HydrophobicContact CG-CB 4.14Å
292L69.9Low67.6Low5 Ų538.7 Ų38.73%0.02619%0.188CC..Hα-helixtrans-58.6-56171.8-174.5143.6000111.6L78 D288 L289 T294 L295 S296 L357 N384 F385L78-L292 HydrophobicContact CB-CD1 4.21Å; D288-L292 PolarHBondContact O-N 3.33Å; L289-L292 HydrophobicContact CD1-CD2 4.31Å; L289-L292 PolarHBondContact O-N 3.35Å; L292-T294 VanDerWaalsContact C-N 3.29Å; L292-T294 PolarHBondContact O-N 3.48Å; L292-L295 PolarHBondContact O-N 3.34Å; L292-L295 VanDerWaalsContact O-N 3.15Å; L292-S296 PolarHBondContact O-N 2.89Å; L292-S296 PolarHBondContact O-OG 2.71Å; L292-S296 VanDerWaalsContact O-OG 3.14Å; L292-L357 HydrophobicContact CB-CD1 3.95Å; L292-L357 HydrophobicContact CG-CD1 4.4Å; L292-N384 HydrophobicContact CD1-CB 4.01Å; L292-N384 HydrophobicContact CD2-CB 4.19Å; L292-F385 HydrophobicContact CD1-CE2 3.81Å; L292-F385 HydrophobicContact CD1-CZ 3.81Å; L292-F385 HydrophobicContact CD2-CZ 4.43Å; L292-F385 HydrophobicContact CG-CE1 4.26Å; L292-F385 HydrophobicContact CG-CE2 4.06Å; L292-F385 HydrophobicContact CG-CZ 3.55Å
293L71Confident68.2Low3 Ų334.1 Ų34.12%0.01617%0.167CC..Hα-helixtrans-60.1-39.7-179.9-70171.1000111.9L88 H91 L95 W136 L289 L295 S296 L297L88-L293 HydrophobicContact CD1-CD1 4.15Å; L88-L293 HydrophobicContact CD1-CD2 4Å; H91-L293 HydrophobicContact CB-CD1 3.74Å; L95-L293 HydrophobicContact CD1-CB 3.88Å; L95-L293 HydrophobicContact CD1-CD1 4.34Å; W136-L293 HydrophobicContact CH2-CD2 3.82Å; W136-L293 HydrophobicContact CZ2-CD2 3.94Å; W136-L293 HydrophobicContact CZ3-CD2 4.42Å; L289-L293 HydrophobicContact CG-CD1 4.12Å; L289-L293 HydrophobicContact CG-CG 4.4Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 VanDerWaalsContact O-CG 3.29Å; L289-L293 WeakPolarHBondContact O-CG 3.14Å; L289-L293 PolarHBondContact O-N 3.49Å; L293-L295 PolarHBondContact O-N 3.29Å; L293-S296 PolarHBondContact O-N 2.86Å; L293-L297 HydrophobicContact CB-CD1 4.42Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 3.09Å; L293-L297 WeakPolarHBondContact O-CD1 3.44Å; L293-L297 WeakPolarHBondContact O-CG 3.36Å; L293-L297 PolarHBondContact O-N 3.45Å
294T69.2Low68.6Low34 Ų3439.2 Ų39.221%0.20919%0.194CC..Hα-helixtrans-60.2-35.4-180-55.50000112V290 Y291 L292V290-T294 WeakPolarHBondContact O-CB 3.41Å; V290-T294 PolarHBondContact O-N 2.88Å; V290-T294 PolarHBondContact O-OG1 3.11Å; Y291-T294 PolarHBondContact O-N 3.38Å; L292-T294 VanDerWaalsContact C-N 3.29Å; L292-T294 PolarHBondContact O-N 3.48Å
295L67.3Low69.3Low15 Ų1538 Ų388%0.07919%0.188CC..Hα-helixtrans-79.1-42.3176.6-161.783.3000111.7Y291 L292 L293 L297 D298 H353 I354 L357 F385 F411Y291-L295 PolarHBondContact O-N 3.24Å; L292-L295 PolarHBondContact O-N 3.34Å; L292-L295 VanDerWaalsContact O-N 3.15Å; L293-L295 PolarHBondContact O-N 3.29Å; L295-L297 PolarHBondContact O-N 3.26Å; L295-D298 PolarHBondContact O-N 3.47Å; L295-D298 VanDerWaalsContact O-N 3.08Å; L295-H353 HydrophobicContact CD1-CB 4.37Å; L295-I354 HydrophobicContact CD1-CD1 4.45Å; L295-I354 HydrophobicContact CD1-CG1 3.48Å; L295-I354 VanDerWaalsContact CD1-CG1 3.48Å; L295-I354 HydrophobicContact CD2-CG1 4.32Å; L295-L357 HydrophobicContact CB-CD2 4.07Å; L295-L357 HydrophobicContact CD2-CD2 3.28Å; L295-L357 HydrophobicContact CG-CD2 4.24Å; L295-F385 HydrophobicContact CD2-CE1 4.38Å; L295-F411 HydrophobicContact CD2-CB 4.49Å; L295-F411 HydrophobicContact CD2-CD1 3.58Å; L295-F411 HydrophobicContact CD2-CE1 3.91Å; L295-F411 HydrophobicContact CD2-CG 4.06Å
296S67.3Low69.8Low1 Ų137 Ų371%0.00718%0.181CC..Hα-helixtrans-63.2-29.7179.9-54.40000113.1L292 L293 D298 L299 F385L292-S296 PolarHBondContact O-N 2.89Å; L292-S296 PolarHBondContact O-OG 2.71Å; L292-S296 VanDerWaalsContact O-OG 3.14Å; L293-S296 PolarHBondContact O-N 2.86Å; S296-D298 VanDerWaalsContact C-N 3.33Å; S296-L299 WeakPolarHBondContact O-CG 3.31Å; S296-F385 WeakPolarHBondContact OG-CD1 3.46Å; S296-F385 WeakPolarHBondContact OG-CE1 3.43Å
297L70.3Confident70.4Confident16 Ų1638.6 Ų38.68%0.08419%0.186CC..THydrogen-bonded Turntrans-81.2-11177.3-65.5172000113.5L92 L95 L129 I133 W136 L293 L295 L299L92-L297 HydrophobicContact CD2-CD1 4.38Å; L95-L297 HydrophobicContact CD1-CD1 3.96Å; L129-L297 HydrophobicContact CD1-CD1 3.81Å; I133-L297 HydrophobicContact CB-CD2 4.23Å; I133-L297 HydrophobicContact CG1-CD1 4.02Å; I133-L297 HydrophobicContact CG1-CD2 3.64Å; I133-L297 HydrophobicContact CG1-CG 4.48Å; W136-L297 HydrophobicContact CB-CD2 3.62Å; W136-L297 HydrophobicContact CD2-CD2 4Å; W136-L297 HydrophobicContact CE3-CD2 4.06Å; W136-L297 HydrophobicContact CG-CD2 3.83Å; L293-L297 HydrophobicContact CB-CD1 4.42Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 3.09Å; L293-L297 WeakPolarHBondContact O-CD1 3.44Å; L293-L297 WeakPolarHBondContact O-CG 3.36Å; L293-L297 PolarHBondContact O-N 3.45Å; L295-L297 PolarHBondContact O-N 3.26Å; L297-L299 VanDerWaalsContact C-N 3.31Å
298D63.5Low70.9Confident39 Ų3942.5 Ų42.521%0.20920%0.204CC..THydrogen-bonded Turntrans-93.610.1-179.4-152.619.2000112.2L295 S296 Y300L295-D298 PolarHBondContact O-N 3.47Å; L295-D298 VanDerWaalsContact O-N 3.08Å; S296-D298 VanDerWaalsContact C-N 3.33Å; D298-Y300 PolarHBondContact O-N 2.88Å
299L58.6Low71.5Confident48 Ų4843.8 Ų43.825%0.25121%0.211SC..  trans-76.6110.6176.4-67.7175.7000109.7S296 L297 Y301 P386S296-L299 WeakPolarHBondContact O-CG 3.31Å; L297-L299 VanDerWaalsContact C-N 3.31Å; L299-Y301 HydrophobicContact CB-CD2 4.25Å; L299-Y301 HydrophobicContact CB-CE2 4.1Å; L299-Y301 PolarHBondContact O-N 3.33Å; L299-P386 HydrophobicContact CD1-CG 4.18Å
300Y59.1Low72.4Confident107 Ų10743.5 Ų43.542%0.4221%0.209SC..  trans-85.5112.4175.9-175-96.1000110.6D298 T302 T342D298-Y300 PolarHBondContact O-N 2.88Å; Y300-T302 HydrophobicContact CE1-CG2 4Å; Y300-T342 HydrophobicContact CE2-CG2 3.77Å; Y300-T342 WeakPolarHBondContact OH-CG2 3.19Å
301Y67.3Low73Confident51 Ų5145.1 Ų45.120%0.222%0.217CC..  trans-119140.9166.3-76.2-99.6000109.4Q135 L139 L299 E305 L309 F387Q135-Y301 PolarHBondContact NE2-O 2.95Å; L139-Y301 HydrophobicContact CD1-CD2 3.35Å; L139-Y301 HydrophobicContact CD1-CE2 3.65Å; L139-Y301 HydrophobicContact CD1-CG 4.04Å; L139-Y301 HydrophobicContact CD2-CD1 4.07Å; L139-Y301 HydrophobicContact CD2-CD2 3.94Å; L139-Y301 HydrophobicContact CD2-CE1 4.26Å; L139-Y301 HydrophobicContact CD2-CE2 4.13Å; L139-Y301 HydrophobicContact CD2-CG 3.9Å; L139-Y301 HydrophobicContact CG-CD2 4.29Å; L299-Y301 HydrophobicContact CB-CD2 4.25Å; L299-Y301 HydrophobicContact CB-CE2 4.1Å; L299-Y301 PolarHBondContact O-N 3.33Å; Y301-E305 HydrophobicContact CD1-CB 4.24Å; Y301-L309 HydrophobicContact CE1-CD1 4.43Å; Y301-F387 AromaticContact CZ-CD2 3.92Å; Y301-F387 WeakPolarHBondContact OH-CD2 3.39Å
302T74.3Confident73.6Confident46 Ų4648.5 Ų48.528%0.28224%0.241SC..  trans-74.1151.5169.963.70000110.2Y300 D304 E305 I306Y300-T302 HydrophobicContact CE1-CG2 4Å; T302-D304 PolarHBondContact O-N 2.94Å; T302-E305 WeakPolarHBondContact CB-OE2 3.24Å; T302-E305 PolarHBondContact N-OE2 3.12Å; T302-E305 PolarHBondContact O-N 3.22Å; T302-E305 VanDerWaalsContact O-N 3.13Å; T302-E305 WeakPolarHBondContact OG1-CB 3.5Å; T302-E305 WeakPolarHBondContact OG1-CG 3.36Å; T302-E305 PolarHBondContact OG1-N 3.44Å; T302-E305 PolarHBondContact OG1-OE2 3.12Å; T302-I306 WeakPolarHBondContact O-CG1 3.43Å; T302-I306 PolarHBondContact O-N 2.98Å; T302-I306 VanDerWaalsContact O-N 3.11Å
303E77.1Confident74.3Confident90 Ų9051.1 Ų51.142%0.42125%0.25SS..Hα-helixtrans-55.6-37.2176.1-65.5-63.413300111.9H182 I306 Y307H182-E303 IonicContact CD2-OE2 3.22Å; H182-E303 IonicContact CE1-OE2 2.73Å; H182-E303 PolarHBondContact CE1-OE2 2.93Å; H182-E303 IonicContact ND1-OE2 3.9Å; H182-E303 IonicContact NE2-OE2 3.31Å; H182-E303 PolarHBondContact NE2-OE2 2.68Å; H182-E303 VanDerWaalsContact NE2-OE2 3.11Å; E303-I306 PolarHBondContact O-N 3.4Å; E303-Y307 WeakPolarHBondContact O-CB 3.24Å; E303-Y307 PolarHBondContact O-N 3.13Å
304D76.4Confident75.1Confident126 Ų12651.5 Ų51.567%0.67425%0.252SS*.Hα-helixtrans-65.5-44.5177.5-66.6-29.6000111.5T302 I306 Y307 E308T302-D304 PolarHBondContact O-N 2.94Å; D304-I306 PolarHBondContact O-N 3.27Å; D304-Y307 PolarHBondContact O-N 3.48Å; D304-E308 WeakPolarHBondContact O-CG 3.48Å; D304-E308 PolarHBondContact O-N 3.09Å
305E77.5Confident75.9Confident92 Ų9254.6 Ų54.643%0.4327%0.273SS..Hα-helixtrans-61.4-43.1176.3-74.7160.9155.900112Y301 T302 Y307 E308 L309Y301-E305 HydrophobicContact CD1-CB 4.24Å; T302-E305 WeakPolarHBondContact CB-OE2 3.24Å; T302-E305 PolarHBondContact N-OE2 3.12Å; T302-E305 PolarHBondContact O-N 3.22Å; T302-E305 VanDerWaalsContact O-N 3.13Å; T302-E305 WeakPolarHBondContact OG1-CB 3.5Å; T302-E305 WeakPolarHBondContact OG1-CG 3.36Å; T302-E305 PolarHBondContact OG1-N 3.44Å; T302-E305 PolarHBondContact OG1-OE2 3.12Å; E305-Y307 VanDerWaalsContact C-N 3.3Å; E305-Y307 PolarHBondContact O-N 3.46Å; E305-E308 PolarHBondContact O-N 3.08Å; E305-L309 VanDerWaalsContact O-CG 3.31Å; E305-L309 WeakPolarHBondContact O-CG 3.46Å; E305-L309 PolarHBondContact O-N 3.06Å
306I79.2Confident76.7Confident0 Ų062 Ų620%030%0.299CS..Hα-helixtrans-64.2-39.2176.9-57.8174.3000110.4Q135 Q138 L139 L142 T302 E303 D304 S310Q135-I306 HydrophobicContact CB-CD1 4.39Å; Q135-I306 HydrophobicContact CG-CD1 4.07Å; Q138-I306 HydrophobicContact CB-CG2 4.11Å; L139-I306 HydrophobicContact CD2-CG1 4.18Å; L142-I306 HydrophobicContact CD1-CG2 3.64Å; L142-I306 WeakPolarHBondContact CD1-O 3.24Å; T302-I306 WeakPolarHBondContact O-CG1 3.43Å; T302-I306 PolarHBondContact O-N 2.98Å; T302-I306 VanDerWaalsContact O-N 3.11Å; E303-I306 PolarHBondContact O-N 3.4Å; D304-I306 PolarHBondContact O-N 3.27Å; I306-S310 PolarHBondContact O-N 3.41Å; I306-S310 VanDerWaalsContact O-N 3.08Å
307Y85.8Confident76.9Confident59 Ų5966.7 Ų66.723%0.23133%0.325CS..Hα-helixtrans-66.9-43.2177.1-168.4-97.2000112.5S184 E303 D304 E305 S310 L311 R316S184-Y307 WeakPolarHBondContact OG-CA 3.29Å; E303-Y307 WeakPolarHBondContact O-CB 3.24Å; E303-Y307 PolarHBondContact O-N 3.13Å; D304-Y307 PolarHBondContact O-N 3.48Å; E305-Y307 VanDerWaalsContact C-N 3.3Å; E305-Y307 PolarHBondContact O-N 3.46Å; Y307-S310 WeakPolarHBondContact O-CA 3.49Å; Y307-S310 VanDerWaalsContact O-CB 3.3Å; Y307-S310 WeakPolarHBondContact O-CB 3.48Å; Y307-S310 PolarHBondContact O-N 3.42Å; Y307-S310 VanDerWaalsContact O-N 3.13Å; Y307-L311 HydrophobicContact CD1-CD1 3.85Å; Y307-L311 HydrophobicContact CD1-CG 4.14Å; Y307-L311 HydrophobicContact CE1-CD1 3.66Å; Y307-L311 HydrophobicContact CE1-CD2 4.21Å; Y307-L311 HydrophobicContact CE1-CG 3.89Å; Y307-L311 PolarHBondContact O-N 3.04Å; Y307-R316 PolarHBondContact OH-NH2 3.27Å
308E79.9Confident76.2Confident111 Ų11171.9 Ų71.952%0.51936%0.36SS..Hα-helixtrans-63-40.9175.5-71.8-56.3141.800111.5D304 E305 S310 L311 V312D304-E308 WeakPolarHBondContact O-CG 3.48Å; D304-E308 PolarHBondContact O-N 3.09Å; E305-E308 PolarHBondContact O-N 3.08Å; E308-S310 VanDerWaalsContact C-N 3.29Å; E308-S310 PolarHBondContact O-N 3.25Å; E308-L311 WeakPolarHBondContact O-CB 3.42Å; E308-L311 PolarHBondContact O-N 2.85Å; E308-L311 VanDerWaalsContact O-N 3.1Å; E308-V312 WeakPolarHBondContact O-CG2 3.5Å; E308-V312 PolarHBondContact O-N 3.11Å
309L79.5Confident75.5Confident38 Ų3879.1 Ų79.120%0.19939%0.389CS..Hα-helixtrans-57-43.7171.4-74.4170.7000111.4L139 L142 Y301 E305 L311 V312 R313 F387L139-L309 HydrophobicContact CD2-CD1 4.19Å; L142-L309 HydrophobicContact CD1-CB 4.16Å; Y301-L309 HydrophobicContact CE1-CD1 4.43Å; E305-L309 VanDerWaalsContact O-CG 3.31Å; E305-L309 WeakPolarHBondContact O-CG 3.46Å; E305-L309 PolarHBondContact O-N 3.06Å; L309-L311 VanDerWaalsContact C-N 3.35Å; L309-L311 PolarHBondContact O-N 2.95Å; L309-V312 PolarHBondContact O-N 3.34Å; L309-R313 WeakPolarHBondContact O-CG 3.29Å; L309-R313 PolarHBondContact O-N 3.43Å; L309-F387 HydrophobicContact CD1-CE1 4.36Å; L309-F387 HydrophobicContact CD1-CE2 4.39Å; L309-F387 HydrophobicContact CD1-CZ 3.77Å; L309-F387 HydrophobicContact CD2-CE1 4.22Å; L309-F387 HydrophobicContact CD2-CZ 4.38Å
310S87.7Confident75Confident0 Ų080.6 Ų80.60%040%0.403CS..Hα-helixtrans-61.3-40.3174.8177.70000113S184 R187 L188 I306 Y307 E308 V312 R313 E314S184-S310 WeakPolarHBondContact O-CB 3.31Å; S184-S310 PolarHBondContact O-OG 2.67Å; R187-S310 VanDerWaalsContact CD-OG 3.3Å; R187-S310 WeakPolarHBondContact CD-OG 3.37Å; R187-S310 WeakPolarHBondContact CG-OG 3.43Å; R187-S310 PolarHBondContact NH1-O 3.26Å; R187-S310 PolarHBondContact NH1-OG 2.77Å; L188-S310 WeakPolarHBondContact CD2-OG 3.46Å; I306-S310 PolarHBondContact O-N 3.41Å; I306-S310 VanDerWaalsContact O-N 3.08Å; Y307-S310 WeakPolarHBondContact O-CA 3.49Å; Y307-S310 VanDerWaalsContact O-CB 3.3Å; Y307-S310 WeakPolarHBondContact O-CB 3.48Å; Y307-S310 PolarHBondContact O-N 3.42Å; Y307-S310 VanDerWaalsContact O-N 3.13Å; E308-S310 VanDerWaalsContact C-N 3.29Å; E308-S310 PolarHBondContact O-N 3.25Å; S310-V312 VanDerWaalsContact C-N 3.33Å; S310-R313 PolarHBondContact O-N 3.49Å; S310-E314 PolarHBondContact O-N 2.95Å
311L83.1Confident74Confident37 Ų3783.7 Ų83.719%0.19442%0.422CS..Hα-helixtrans-64.5-38175.7-73173.6000112.2Y307 E308 L309 R313 E314 P315 R316Y307-L311 HydrophobicContact CD1-CD1 3.85Å; Y307-L311 HydrophobicContact CD1-CG 4.14Å; Y307-L311 HydrophobicContact CE1-CD1 3.66Å; Y307-L311 HydrophobicContact CE1-CD2 4.21Å; Y307-L311 HydrophobicContact CE1-CG 3.89Å; Y307-L311 PolarHBondContact O-N 3.04Å; E308-L311 WeakPolarHBondContact O-CB 3.42Å; E308-L311 PolarHBondContact O-N 2.85Å; E308-L311 VanDerWaalsContact O-N 3.1Å; L309-L311 VanDerWaalsContact C-N 3.35Å; L309-L311 PolarHBondContact O-N 2.95Å; L311-R313 VanDerWaalsContact C-N 3.31Å; L311-E314 CarbonylContact O-C 3.51Å; L311-E314 VanDerWaalsContact O-C 3.31Å; L311-P315 WeakPolarHBondContact O-CA 3.32Å; L311-P315 VanDerWaalsContact O-N 3.16Å; L311-R316 HydrophobicContact CD2-CG 4.22Å
312V81.9Confident72.6Confident100 Ų10087.6 Ų87.661%0.60645%0.453SS*.Hα-helixtrans-65.2-36.5174.7172.90000111.1E308 L309 S310E308-V312 WeakPolarHBondContact O-CG2 3.5Å; E308-V312 PolarHBondContact O-N 3.11Å; L309-V312 PolarHBondContact O-N 3.34Å; S310-V312 VanDerWaalsContact C-N 3.33Å
313R83.9Confident70.7Confident60 Ų6091 Ų9123%0.22647%0.474CS..Hα-helixtrans-73.2-43.4177.9-64.9-52.8179.8-132.5-1.5113.4L142 L309 S310 L311L142-R313 HydrophobicContact CD2-CG 4.18Å; L142-R313 PolarHBondContact O-NE 2.93Å; L142-R313 PolarHBondContact O-NH2 2.97Å; L309-R313 WeakPolarHBondContact O-CG 3.29Å; L309-R313 PolarHBondContact O-N 3.43Å; S310-R313 PolarHBondContact O-N 3.49Å; L311-R313 VanDerWaalsContact C-N 3.31Å
314E87.9Confident68.6Low11 Ų1191.6 Ų91.65%0.05149%0.488CS..SBendtrans-136.292.5177.9-68.4-174.7-153.500109.9R150 R187 L188 K189 E190 T191 S310 L311R150-E314 IonicContact CZ-OE1 3.05Å; R150-E314 IonicContact NE-OE1 3.11Å; R150-E314 IonicContact NH2-OE1 4Å; R150-E314 PolarHBondContact NH2-OE1 2.87Å; R187-E314 VanDerWaalsContact CZ-O 3.31Å; R187-E314 PolarHBondContact NH1-O 3.24Å; R187-E314 PolarHBondContact NH2-O 3.08Å; L188-E314 WeakPolarHBondContact CA-OE2 3.23Å; L188-E314 HydrophobicContact CD2-CB 3.82Å; L188-E314 HydrophobicContact CD2-CG 3.82Å; K189-E314 PolarHBondContact N-OE2 3.1Å; K189-E314 VanDerWaalsContact N-OE2 3.14Å; E190-E314 PolarHBondContact N-OE2 3.13Å; E190-E314 VanDerWaalsContact N-OE2 3.09Å; T191-E314 WeakPolarHBondContact CB-OE1 3.47Å; T191-E314 PolarHBondContact N-OE1 3.44Å; T191-E314 VanDerWaalsContact N-OE1 3.15Å; T191-E314 PolarHBondContact OG1-OE1 3.15Å; S310-E314 PolarHBondContact O-N 2.95Å; L311-E314 CarbonylContact O-C 3.51Å; L311-E314 VanDerWaalsContact O-C 3.31Å
315P87.3Confident66.7Low99 Ų9991.7 Ų91.764%0.64350%0.496SS*.PPolyproline II helixtrans-59.6152.7178.7-24.834.3000112.4L311 N317L311-P315 WeakPolarHBondContact O-CA 3.32Å; L311-P315 VanDerWaalsContact O-N 3.16Å; P315-N317 PolarHBondContact O-N 2.97Å
316R82.4Confident64.6Low170 Ų17092.5 Ų92.564%0.64251%0.507SS*.PPolyproline II helixtrans-65128.4172.6-72.6-178.5175.4155.61.3109.4Y307 L311 P318Y307-R316 PolarHBondContact OH-NH2 3.27Å; L311-R316 HydrophobicContact CD2-CG 4.22Å; R316-P318 WeakPolarHBondContact O-CD 3.36Å
317N72.9Confident62.4Low100 Ų10097.8 Ų97.854%0.53554%0.54SS..PPolyproline II helixtrans-62.4121.1178.3-168.1-16.8000110P315 K319 S320P315-N317 PolarHBondContact O-N 2.97Å; N317-K319 PolarHBondContact O-N 3.48Å; N317-K319 VanDerWaalsContact O-N 3.11Å; N317-K319 PolarHBondContact OD1-N 2.91Å; N317-S320 PolarHBondContact O-N 3.12Å; N317-S320 PolarHBondContact O-OG 3.49Å
318P55.3Low60Low126 Ų126100 Ų10082%0.81856%0.561SS**THydrogen-bonded Turntrans-67.5-10.7-179.724.8-32.6000113.6R316R316-P318 WeakPolarHBondContact O-CD 3.36Å
319K49Very low58Low191 Ų191101.5 Ų101.583%0.8357%0.573SS**THydrogen-bonded Turntrans-86.1-8.7178-65.3-176.2179.9178.20114.3N317N317-K319 PolarHBondContact O-N 3.48Å; N317-K319 VanDerWaalsContact O-N 3.11Å; N317-K319 PolarHBondContact OD1-N 2.91Å
320S48.3Very low56.1Low79 Ų79107.5 Ų107.555%0.55260%0.597SS**SBendtrans-86.3111.3166.352.90000108.7N317N317-S320 PolarHBondContact O-N 3.12Å; N317-S320 PolarHBondContact O-OG 3.49Å
321Q36.7Very low54.2Low171 Ų171110.3 Ų110.380%0.79962%0.616SS**  trans-47.9149.2168.1-81.2-177.8-20.200110.5T323Q321-T323 VanDerWaalsContact C-N 3.25Å; Q321-T323 PolarHBondContact O-N 2.98Å
322P37.9Very low52.4Low133 Ų133114.4 Ų114.486%0.86464%0.637SS**  trans-70.187.9173.330.4-31.3000108.1S324P322-S324 PolarHBondContact O-N 3.11Å
323T34.7Very low50.8Low119 Ų119109.7 Ų109.773%0.7361%0.609SS**  trans-63.2133.6153.7350000106.7Q321Q321-T323 VanDerWaalsContact C-N 3.25Å; Q321-T323 PolarHBondContact O-N 2.98Å
324S33.6Very low49.2Very low102 Ų102107.3 Ų107.371%0.71360%0.601SS**SBendtrans-22.8147.3177.2-50.70000114.5P322 T326P322-S324 PolarHBondContact O-N 3.11Å; S324-T326 PolarHBondContact O-N 2.73Å
325P35.5Very low47.8Very low127 Ų127108.6 Ų108.683%0.82561%0.608SS**  trans-49.7105.7-173.223.3-33.6000108.9T327P325-T327 VanDerWaalsContact C-N 3.3Å; P325-T327 PolarHBondContact O-N 2.8Å
326T34.9Very low46.5Very low109 Ų109109.3 Ų109.367%0.66961%0.606SS**  trans-63104.4176.1-41.10000104S324 P328S324-T326 PolarHBondContact O-N 2.73Å; T326-P328 VanDerWaalsContact O-N 3.15Å
327T33.1Very low45.6Very low112 Ų112103.6 Ų103.669%0.68759%0.585SS**  trans-42.4125.5160.429.60000106.2P325 N329P325-T327 VanDerWaalsContact C-N 3.3Å; P325-T327 PolarHBondContact O-N 2.8Å; T327-N329 PolarHBondContact O-N 2.91Å
328P35.3Very low44.9Very low106 Ų10698.9 Ų98.969%0.68856%0.56SS**PPolyproline II helixtrans-51.2121.3179.819.4-29.5000106.6T326 K330T326-P328 VanDerWaalsContact O-N 3.15Å; P328-K330 PolarHBondContact O-N 3.18Å
329N38.4Very low45.1Very low141 Ų14197.6 Ų97.675%0.75455%0.553SS**PPolyproline II helixtrans-48.2120.6173.6-84.5-19.4000105.5T327 P331T327-N329 PolarHBondContact O-N 2.91Å; N329-P331 WeakPolarHBondContact O-CD 3.21Å
330K39.6Very low45.5Very low165 Ų16591.9 Ų91.972%0.71755%0.549SS*.PPolyproline II helixtrans-50.2119.8-177.9-158.7179.3-173.9-174.60106.1P328 L332P328-K330 PolarHBondContact O-N 3.18Å; K330-L332 PolarHBondContact O-N 3.43Å; K330-L332 VanDerWaalsContact O-N 3.16Å
331P45.8Very low45.8Very low59 Ų5989.4 Ų89.438%0.38353%0.531SS..PPolyproline II helixtrans-52.7129.2-177.115.4-27.1000108.1N329 A333 P334N329-P331 WeakPolarHBondContact O-CD 3.21Å; P331-A333 PolarHBondContact O-N 2.87Å; P331-A333 VanDerWaalsContact O-N 3.08Å; P331-P334 HydrophobicContact CG-CB 4.34Å; P331-P334 WeakPolarHBondContact O-CD 3.22Å; P331-P334 VanDerWaalsContact O-CG 3.28Å; P331-P334 WeakPolarHBondContact O-CG 3.33Å
332L45.4Very low46.6Very low122 Ų12285.1 Ų85.164%0.63952%0.516SS*.SBendtrans-59.6-23-177.8-91.574.5000111.5T207 K330T207-L332 HydrophobicContact CG2-CB 4.13Å; K330-L332 PolarHBondContact O-N 3.43Å; K330-L332 VanDerWaalsContact O-N 3.16Å
333A49Very low47.3Very low2 Ų280.4 Ų80.42%0.01749%0.485CS..SBendtrans-120.682.1169.500000109.8M174 V210 P331 L335M174-A333 HydrophobicContact CE-CB 3.83Å; M174-A333 HydrophobicContact SD-CB 4.15Å; V210-A333 HydrophobicContact CG2-CB 4.25Å; P331-A333 PolarHBondContact O-N 2.87Å; P331-A333 VanDerWaalsContact O-N 3.08Å; A333-L335 PolarHBondContact O-N 2.93Å
334P51.2Low48.1Very low9 Ų983.6 Ų83.66%0.05849%0.489CS..  trans-65.3127.6179.2-12.124.9000110.7P331 D336P331-P334 HydrophobicContact CG-CB 4.34Å; P331-P334 WeakPolarHBondContact O-CD 3.22Å; P331-P334 VanDerWaalsContact O-CG 3.28Å; P331-P334 WeakPolarHBondContact O-CG 3.33Å; P334-D336 HydrophobicContact CB-CB 4.45Å; P334-D336 WeakPolarHBondContact CB-OD2 3.48Å; P334-D336 PolarHBondContact O-N 3.46Å
335L58.7Low49.1Very low39 Ų3979.8 Ų79.820%0.20446%0.462CS..  trans-83.318.5173.8-98.174.7000112.7F130 S134 M174 A333 W337 A338F130-L335 HydrophobicContact CD1-CD2 4.43Å; F130-L335 HydrophobicContact CE1-CD2 3.46Å; F130-L335 VanDerWaalsContact CE1-CD2 3.46Å; F130-L335 HydrophobicContact CE1-CG 3.69Å; F130-L335 HydrophobicContact CZ-CD2 3.88Å; F130-L335 HydrophobicContact CZ-CG 3.87Å; S134-L335 WeakPolarHBondContact OG-CD2 3.36Å; M174-L335 HydrophobicContact CE-CD1 4.08Å; A333-L335 PolarHBondContact O-N 2.93Å; L335-W337 PolarHBondContact O-N 3.38Å; L335-A338 PolarHBondContact O-N 3.06Å
336D59.2Low50.3Low114 Ų11477.8 Ų77.861%0.6144%0.444SS*.G310 helixtrans-56.8-26.1-165.4-63.5-13.3000114.6P334 A338 S339P334-D336 HydrophobicContact CB-CB 4.45Å; P334-D336 WeakPolarHBondContact CB-OD2 3.48Å; P334-D336 PolarHBondContact O-N 3.46Å; D336-A338 VanDerWaalsContact C-N 3.27Å; D336-A338 PolarHBondContact O-N 3.37Å; D336-S339 WeakPolarHBondContact O-CB 3.45Å; D336-S339 PolarHBondContact O-N 3.46Å
337W63.2Low51.6Low50 Ų5074.9 Ų74.919%0.18943%0.427CS..G310 helixtrans-69.6-23.3-179.978-88.6000113.7I127 F130 L234 L238 L335I127-W337 HydrophobicContact CD1-CZ3 4.15Å; I127-W337 HydrophobicContact CG1-CH2 4.05Å; I127-W337 HydrophobicContact CG1-CZ3 3.62Å; F130-W337 AromaticContact CD1-CZ2 3.97Å; F130-W337 HydrophobicContact CD1-CZ2 3.97Å; F130-W337 HydrophobicContact CD2-CZ2 4.11Å; F130-W337 HydrophobicContact CE1-CZ2 4.08Å; F130-W337 AromaticContact CE1-NE1 3.89Å; F130-W337 HydrophobicContact CE2-CZ2 4.23Å; F130-W337 AromaticContact CG-CZ2 3.99Å; F130-W337 HydrophobicContact CG-CZ2 3.99Å; F130-W337 HydrophobicContact CZ-CZ2 4.23Å; F130-W337 AromaticContact CZ-NE1 3.86Å; L234-W337 HydrophobicContact CB-CH2 4.23Å; L238-W337 HydrophobicContact CD1-CE3 4.44Å; L238-W337 HydrophobicContact CD1-CZ3 4.14Å; L335-W337 PolarHBondContact O-N 3.38Å
338A58.7Low53.2Low1 Ų173 Ų731%0.00842%0.418CS..G310 helixtrans-100.92.1-179.500000112.5I127 F130 N131 L335 D336I127-A338 HydrophobicContact CG2-CB 3.79Å; F130-A338 HydrophobicContact CD1-CB 3.84Å; F130-A338 HydrophobicContact CE1-CB 3.98Å; N131-A338 PolarHBondContact ND2-O 2.95Å; N131-A338 WeakPolarHBondContact OD1-CB 3.42Å; L335-A338 PolarHBondContact O-N 3.06Å; D336-A338 VanDerWaalsContact C-N 3.27Å; D336-A338 PolarHBondContact O-N 3.37Å
339S59.9Low54.7Low98 Ų9870.9 Ų70.969%0.68540%0.403SS*.THydrogen-bonded Turntrans-69136.2-178.7-170.70000111.7D336D336-S339 WeakPolarHBondContact O-CB 3.45Å; D336-S339 PolarHBondContact O-N 3.46Å
340G55.9Low56Low71 Ų7164.3 Ų64.373%0.73237%0.368SS*.THydrogen-bonded Turntrans90.5-5.4175.100000115.6T342G340-T342 PolarHBondContact O-N 3.32Å
341V55.9Low57.3Low28 Ų2857.5 Ų57.517%0.1734%0.341CS..  trans-86.793.3173.3-171.70000109.3L117 E124 I127 T343L117-V341 HydrophobicContact CD1-CB 4.34Å; L117-V341 HydrophobicContact CD1-CG1 3.96Å; L117-V341 HydrophobicContact CD1-CG2 3.42Å; L117-V341 VanDerWaalsContact CD1-CG2 3.42Å; E124-V341 HydrophobicContact CG-CG1 3.65Å; I127-V341 HydrophobicContact CB-CG1 4.41Å; I127-V341 HydrophobicContact CD1-CG2 4.46Å; I127-V341 HydrophobicContact CG2-CB 3.8Å; I127-V341 HydrophobicContact CG2-CG1 4.13Å; I127-V341 HydrophobicContact CG2-CG2 3.75Å; V341-T343 HydrophobicContact CG1-CG2 4.39Å
342T53.5Low58.5Low81 Ų8160.5 Ų60.550%0.49735%0.348SS..  trans-101.498.2167.860.80000107Y300 G340 K344Y300-T342 HydrophobicContact CE2-CG2 3.77Å; Y300-T342 WeakPolarHBondContact OH-CG2 3.19Å; G340-T342 PolarHBondContact O-N 3.32Å; T342-K344 PolarHBondContact O-N 2.96Å
343T51.2Low59.7Low34 Ų3457.2 Ų57.221%0.20933%0.329CS..  trans-68.7130.4171.747.90000107.5E124 A128 V341 P345E124-T343 HydrophobicContact CG-CG2 3.52Å; E124-T343 WeakPolarHBondContact OE1-CG2 3.47Å; A128-T343 HydrophobicContact CB-CG2 3.62Å; A128-T343 WeakPolarHBondContact CB-OG1 3.23Å; V341-T343 HydrophobicContact CG1-CG2 4.39Å; T343-P345 WeakPolarHBondContact O-CD 3.38Å
344K52.2Low60.7Low185 Ų18557.1 Ų57.180%0.80433%0.329SS*.  trans-83.598.2158.3-69.8-177.2-178.8179.40105.4T342 D346T342-K344 PolarHBondContact O-N 2.96Å; K344-D346 PolarHBondContact O-N 2.9Å
345P55.6Low61.7Low23 Ų2362.9 Ų62.915%0.14935%0.349CS..  trans-57.5138-178.323-35.8000110.3T343 P347 V350 L417T343-P345 WeakPolarHBondContact O-CD 3.38Å; P345-P347 VanDerWaalsContact O-CD 3.31Å; P345-P347 WeakPolarHBondContact O-CD 3.43Å; P345-V350 HydrophobicContact CB-CG2 3.67Å; P345-V350 HydrophobicContact CG-CG2 4.15Å; P345-L417 HydrophobicContact CG-CD1 3.17Å
346D59.2Low62.4Low84 Ų8464.6 Ų64.645%0.44936%0.355SS..  trans-61.7118.8179.6175.1-8000109.4K344 S348 V349 V350K344-D346 PolarHBondContact O-N 2.9Å; D346-S348 PolarHBondContact O-N 3.41Å; D346-S348 WeakPolarHBondContact OD1-CB 3.37Å; D346-S348 PolarHBondContact OD1-N 3.17Å; D346-S348 PolarHBondContact OD1-OG 3.17Å; D346-S348 PolarHBondContact OD2-OG 2.97Å; D346-V349 HydrophobicContact CB-CB 4.19Å; D346-V349 HydrophobicContact CB-CG2 3.93Å; D346-V349 PolarHBondContact O-N 2.93Å; D346-V350 WeakPolarHBondContact O-CG2 3.29Å; D346-V350 PolarHBondContact O-N 3.05Å
347P63.3Low62.9Low49 Ų4959.1 Ų59.132%0.31833%0.326SS..Hα-helixtrans-51.3-32.8-179.7-29.837000114.1P345 S351 L418P345-P347 VanDerWaalsContact O-CD 3.31Å; P345-P347 WeakPolarHBondContact O-CD 3.43Å; P347-S351 WeakPolarHBondContact O-CB 3.41Å; P347-S351 PolarHBondContact O-N 3.14Å; P347-L418 HydrophobicContact CB-CD2 3.65Å; P347-L418 HydrophobicContact CG-CD2 4.37Å
348S65.6Low63.4Low71 Ų7157 Ų5750%0.49732%0.318SS..Hα-helixtrans-70.5-38179.977.10000112.3D346 K352D346-S348 PolarHBondContact O-N 3.41Å; D346-S348 WeakPolarHBondContact OD1-CB 3.37Å; D346-S348 PolarHBondContact OD1-N 3.17Å; D346-S348 PolarHBondContact OD1-OG 3.17Å; D346-S348 PolarHBondContact OD2-OG 2.97Å; S348-K352 WeakPolarHBondContact O-CB 3.4Å; S348-K352 PolarHBondContact O-N 2.98Å; S348-K352 VanDerWaalsContact O-N 3.11Å
349V67.3Low64.2Low63 Ų6362.8 Ų62.838%0.38235%0.345SS..Hα-helixtrans-72.5-44.7177.8177.10000110D346 S351 K352 H353D346-V349 HydrophobicContact CB-CB 4.19Å; D346-V349 HydrophobicContact CB-CG2 3.93Å; D346-V349 PolarHBondContact O-N 2.93Å; V349-S351 PolarHBondContact O-N 3.37Å; V349-K352 WeakPolarHBondContact O-CB 3.14Å; V349-K352 PolarHBondContact O-N 3.47Å; V349-K352 VanDerWaalsContact O-N 3.17Å; V349-H353 VanDerWaalsContact CG1-CE1 3.44Å; V349-H353 WeakPolarHBondContact CG1-CE1 3.27Å; V349-H353 PolarHBondContact O-N 3.23Å
350V65.9Low64.7Low3 Ų358.1 Ų58.12%0.01831%0.313CS..Hα-helixtrans-57.7-49.9174.9178.50000110.4P345 D346 K352 H353 I354 N415 L418P345-V350 HydrophobicContact CB-CG2 3.67Å; P345-V350 HydrophobicContact CG-CG2 4.15Å; D346-V350 WeakPolarHBondContact O-CG2 3.29Å; D346-V350 PolarHBondContact O-N 3.05Å; V350-K352 VanDerWaalsContact C-N 3.26Å; V350-K352 PolarHBondContact O-N 3.01Å; V350-H353 PolarHBondContact O-N 2.85Å; V350-I354 HydrophobicContact CG1-CD1 3.79Å; V350-I354 HydrophobicContact CG1-CG1 4.38Å; V350-I354 WeakPolarHBondContact O-CG1 3.42Å; V350-I354 PolarHBondContact O-N 2.97Å; V350-N415 WeakPolarHBondContact CG1-ND2 3.15Å; V350-L418 HydrophobicContact CG1-CD1 3.94Å
351S67.4Low65.4Low21 Ų2154.8 Ų54.815%0.14728%0.278CS..Hα-helixtrans-59.7-35.9178.2-170.40000112.4P347 V349 R355P347-S351 WeakPolarHBondContact O-CB 3.41Å; P347-S351 PolarHBondContact O-N 3.14Å; V349-S351 PolarHBondContact O-N 3.37Å; S351-R355 PolarHBondContact O-N 2.96Å; S351-R355 VanDerWaalsContact O-N 3.13Å; S351-R355 VanDerWaalsContact OG-CZ 3.23Å; S351-R355 PolarHBondContact OG-NH1 3.3Å; S351-R355 PolarHBondContact OG-NH2 3.27Å
352K70.9Confident66.2Low123 Ų12353.6 Ų53.654%0.53527%0.271SS..Hα-helixtrans-70.3-37.4174.5-173.8176.4-175.11710112.5S348 V349 V350 K356S348-K352 WeakPolarHBondContact O-CB 3.4Å; S348-K352 PolarHBondContact O-N 2.98Å; S348-K352 VanDerWaalsContact O-N 3.11Å; V349-K352 WeakPolarHBondContact O-CB 3.14Å; V349-K352 PolarHBondContact O-N 3.47Å; V349-K352 VanDerWaalsContact O-N 3.17Å; V350-K352 VanDerWaalsContact C-N 3.26Å; V350-K352 PolarHBondContact O-N 3.01Å; K352-K356 WeakPolarHBondContact O-CG 3.42Å; K352-K356 PolarHBondContact O-N 3.14Å
353H69.5Low67.2Low52 Ų5256.3 Ų56.324%0.24127%0.272CS..Hα-helixtrans-67.9-43.9175.1-68.7167.4000111.3L295 V349 V350 R355 K356 L357L295-H353 HydrophobicContact CD1-CB 4.37Å; V349-H353 VanDerWaalsContact CG1-CE1 3.44Å; V349-H353 WeakPolarHBondContact CG1-CE1 3.27Å; V349-H353 PolarHBondContact O-N 3.23Å; V350-H353 PolarHBondContact O-N 2.85Å; H353-R355 PolarHBondContact O-N 3.14Å; H353-K356 PolarHBondContact O-N 3.08Å; H353-L357 PolarHBondContact O-N 3.49Å
354I70.1Confident67.9Low1 Ų157.1 Ų57.11%0.00528%0.275CS..Hα-helixtrans-56.7-49.7175.3-69.3167.9000110.9L295 V350 K356 L357 V358 V408 F411 L412 L418L295-I354 HydrophobicContact CD1-CD1 4.45Å; L295-I354 HydrophobicContact CD1-CG1 3.48Å; L295-I354 VanDerWaalsContact CD1-CG1 3.48Å; L295-I354 HydrophobicContact CD2-CG1 4.32Å; V350-I354 HydrophobicContact CG1-CD1 3.79Å; V350-I354 HydrophobicContact CG1-CG1 4.38Å; V350-I354 WeakPolarHBondContact O-CG1 3.42Å; V350-I354 PolarHBondContact O-N 2.97Å; I354-K356 VanDerWaalsContact C-N 3.32Å; I354-K356 PolarHBondContact O-N 3.3Å; I354-L357 WeakPolarHBondContact O-CB 3.45Å; I354-L357 PolarHBondContact O-N 3.38Å; I354-L357 VanDerWaalsContact O-N 3.13Å; I354-V358 HydrophobicContact CG2-CG2 4.44Å; I354-V358 WeakPolarHBondContact O-CG2 3.28Å; I354-V358 PolarHBondContact O-N 2.94Å; I354-V408 HydrophobicContact CG2-CG1 4.38Å; I354-F411 HydrophobicContact CB-CB 4.46Å; I354-F411 HydrophobicContact CD1-CB 4.12Å; I354-F411 HydrophobicContact CG1-CB 4.04Å; I354-F411 HydrophobicContact CG2-CB 3.62Å; I354-L412 HydrophobicContact CD1-CD2 3.64Å; I354-L412 HydrophobicContact CD1-CG 4.14Å; I354-L412 HydrophobicContact CG2-CG 4.45Å; I354-L418 HydrophobicContact CD1-CD1 4.13Å
355R73.3Confident68.8Low129 Ų12949.1 Ų49.149%0.48724%0.24SC..Hα-helixtrans-57.8-44177.6-80.5-173.8-81.8-83.4-4.7112.6S351 H353 L357 V358 E359S351-R355 PolarHBondContact O-N 2.96Å; S351-R355 VanDerWaalsContact O-N 3.13Å; S351-R355 VanDerWaalsContact OG-CZ 3.23Å; S351-R355 PolarHBondContact OG-NH1 3.3Å; S351-R355 PolarHBondContact OG-NH2 3.27Å; H353-R355 PolarHBondContact O-N 3.14Å; R355-L357 VanDerWaalsContact C-N 3.32Å; R355-L357 PolarHBondContact O-N 3.11Å; R355-V358 PolarHBondContact O-N 3.34Å; R355-E359 WeakPolarHBondContact O-CB 3.19Å; R355-E359 PolarHBondContact O-N 2.95Å
356K72.1Confident69.7Low75 Ų7548.5 Ų48.533%0.32624%0.235SC..Hα-helixtrans-67.2-34177.5-74-178.1176.4-170.40112.9Y291 K352 H353 I354 S360Y291-K356 HydrophobicContact CD1-CB 4.24Å; Y291-K356 HydrophobicContact CD1-CD 4.22Å; Y291-K356 HydrophobicContact CD2-CB 4.25Å; Y291-K356 HydrophobicContact CE1-CD 3.79Å; Y291-K356 HydrophobicContact CE2-CB 4.49Å; Y291-K356 HydrophobicContact CG-CB 4.14Å; K352-K356 WeakPolarHBondContact O-CG 3.42Å; K352-K356 PolarHBondContact O-N 3.14Å; H353-K356 PolarHBondContact O-N 3.08Å; I354-K356 VanDerWaalsContact C-N 3.32Å; I354-K356 PolarHBondContact O-N 3.3Å; K356-S360 VanDerWaalsContact O-CB 3.27Å; K356-S360 WeakPolarHBondContact O-CB 3.39Å; K356-S360 PolarHBondContact O-N 2.86Å
357L70.3Confident70.1Confident0 Ų050.6 Ų50.60%024%0.242CC..Hα-helixtrans-64.5-53.1173.8175.363000110.1L292 L295 H353 I354 R355 E359 S360 V361 F385 F411L292-L357 HydrophobicContact CB-CD1 3.95Å; L292-L357 HydrophobicContact CG-CD1 4.4Å; L295-L357 HydrophobicContact CB-CD2 4.07Å; L295-L357 HydrophobicContact CD2-CD2 3.28Å; L295-L357 HydrophobicContact CG-CD2 4.24Å; H353-L357 PolarHBondContact O-N 3.49Å; I354-L357 WeakPolarHBondContact O-CB 3.45Å; I354-L357 PolarHBondContact O-N 3.38Å; I354-L357 VanDerWaalsContact O-N 3.13Å; R355-L357 VanDerWaalsContact C-N 3.32Å; R355-L357 PolarHBondContact O-N 3.11Å; L357-E359 VanDerWaalsContact C-N 3.26Å; L357-E359 PolarHBondContact O-N 3.42Å; L357-S360 CarbonylContact O-C 3.58Å; L357-S360 WeakPolarHBondContact O-CA 3.49Å; L357-S360 WeakPolarHBondContact O-CB 3.49Å; L357-S360 PolarHBondContact O-N 3.25Å; L357-V361 HydrophobicContact CD1-CG2 3.82Å; L357-V361 HydrophobicContact CG-CG2 4.02Å; L357-V361 WeakPolarHBondContact O-CG2 3.48Å; L357-V361 PolarHBondContact O-N 3.01Å; L357-F385 HydrophobicContact CD1-CZ 4Å; L357-F385 HydrophobicContact CD2-CE1 3.86Å; L357-F385 HydrophobicContact CD2-CE2 4.49Å; L357-F385 HydrophobicContact CD2-CZ 3.53Å; L357-F385 HydrophobicContact CG-CZ 4.33Å; L357-F411 HydrophobicContact CD2-CD2 4.42Å; L357-F411 HydrophobicContact CD2-CE1 4.28Å; L357-F411 HydrophobicContact CD2-CE2 4.02Å; L357-F411 HydrophobicContact CD2-CZ 3.94Å
358V73.6Confident70.5Confident4 Ų453.7 Ų53.72%0.02426%0.256CS..Hα-helixtrans-58.1-44.2-178.7176.20000110I354 R355 S360 V361 F362 K404 M407 V408 F411I354-V358 HydrophobicContact CG2-CG2 4.44Å; I354-V358 WeakPolarHBondContact O-CG2 3.28Å; I354-V358 PolarHBondContact O-N 2.94Å; R355-V358 PolarHBondContact O-N 3.34Å; V358-S360 PolarHBondContact O-N 3.41Å; V358-V361 PolarHBondContact O-N 2.9Å; V358-F362 HydrophobicContact CG1-CD2 3.62Å; V358-F362 HydrophobicContact CG1-CE2 3.63Å; V358-F362 VanDerWaalsContact O-CD2 3.23Å; V358-F362 WeakPolarHBondContact O-CD2 3.14Å; V358-F362 PolarHBondContact O-N 3.22Å; V358-K404 HydrophobicContact CG1-CB 4.25Å; V358-K404 HydrophobicContact CG1-CG 4.32Å; V358-M407 HydrophobicContact CG1-CB 4.21Å; V358-M407 HydrophobicContact CG1-CG 4.5Å; V358-M407 HydrophobicContact CG1-SD 4.35Å; V358-M407 HydrophobicContact CG2-CB 4.2Å; V358-M407 HydrophobicContact CG2-CG 3.92Å; V358-M407 HydrophobicContact CG2-SD 4.25Å; V358-V408 HydrophobicContact CB-CG2 3.84Å; V358-V408 HydrophobicContact CG1-CG2 3.95Å; V358-V408 HydrophobicContact CG2-CB 4.45Å; V358-V408 HydrophobicContact CG2-CG2 3.63Å; V358-F411 HydrophobicContact CG2-CD2 4.17Å
359E75.3Confident70.9Confident123 Ų12357.5 Ų57.558%0.57527%0.265SS*.Hα-helixtrans-59.5-35.5174.7-165.2117.7-143.600113.6R355 L357 R363R355-E359 WeakPolarHBondContact O-CB 3.19Å; R355-E359 PolarHBondContact O-N 2.95Å; L357-E359 VanDerWaalsContact C-N 3.26Å; L357-E359 PolarHBondContact O-N 3.42Å; E359-R363 WeakPolarHBondContact O-CB 3.43Å; E359-R363 PolarHBondContact O-N 2.91Å; E359-R363 VanDerWaalsContact O-N 3.09Å
360S70.9Confident71.3Confident1 Ų157.9 Ų57.91%0.00727%0.266CS..Hα-helixtrans-71.5-43.3176.8-177.50000112.5D288 K356 L357 V358 R363 N364D288-S360 WeakPolarHBondContact CA-OG 3.31Å; D288-S360 WeakPolarHBondContact CB-OG 3.36Å; D288-S360 PolarHBondContact O-OG 3.27Å; D288-S360 VanDerWaalsContact OD1-CB 3.25Å; D288-S360 WeakPolarHBondContact OD1-CB 3.41Å; D288-S360 PolarHBondContact OD1-OG 3.05Å; K356-S360 VanDerWaalsContact O-CB 3.27Å; K356-S360 WeakPolarHBondContact O-CB 3.39Å; K356-S360 PolarHBondContact O-N 2.86Å; L357-S360 CarbonylContact O-C 3.58Å; L357-S360 WeakPolarHBondContact O-CA 3.49Å; L357-S360 WeakPolarHBondContact O-CB 3.49Å; L357-S360 PolarHBondContact O-N 3.25Å; V358-S360 PolarHBondContact O-N 3.41Å; S360-R363 PolarHBondContact O-N 3.31Å; S360-N364 PolarHBondContact O-N 2.78Å; S360-N364 PolarHBondContact O-ND2 3Å
361V70Confident71.8Confident1 Ų158.8 Ų58.81%0.00628%0.276CS..Hα-helixtrans-62.7-52.1178.2173.60000109.3L357 V358 R363 N364 Y365 I373 I381 M407L357-V361 HydrophobicContact CD1-CG2 3.82Å; L357-V361 HydrophobicContact CG-CG2 4.02Å; L357-V361 WeakPolarHBondContact O-CG2 3.48Å; L357-V361 PolarHBondContact O-N 3.01Å; V358-V361 PolarHBondContact O-N 2.9Å; V361-R363 VanDerWaalsContact C-N 3.32Å; V361-R363 PolarHBondContact O-N 2.95Å; V361-N364 PolarHBondContact O-N 3.45Å; V361-Y365 HydrophobicContact CG1-CD2 4.04Å; V361-Y365 WeakPolarHBondContact O-CB 3.29Å; V361-Y365 WeakPolarHBondContact O-CD2 3.18Å; V361-Y365 PolarHBondContact O-N 2.9Å; V361-I373 HydrophobicContact CG1-CD1 3.61Å; V361-I381 HydrophobicContact CG1-CD1 3.32Å; V361-I381 HydrophobicContact CG1-CG1 3.93Å; V361-I381 HydrophobicContact CG1-CG2 4.31Å; V361-M407 HydrophobicContact CB-SD 4.32Å; V361-M407 HydrophobicContact CG1-CE 4.04Å; V361-M407 HydrophobicContact CG1-SD 3.97Å
362F73.3Confident72.4Confident3 Ų362.2 Ų62.21%0.01329%0.286CS..Hα-helixtrans-58.6-44.6176.9-83-100.2000110.9V358 N364 Y365 D366 G371 I373 I402 K404 M407V358-F362 HydrophobicContact CG1-CD2 3.62Å; V358-F362 HydrophobicContact CG1-CE2 3.63Å; V358-F362 VanDerWaalsContact O-CD2 3.23Å; V358-F362 WeakPolarHBondContact O-CD2 3.14Å; V358-F362 PolarHBondContact O-N 3.22Å; F362-N364 PolarHBondContact O-N 3.4Å; F362-Y365 PolarHBondContact O-N 2.91Å; F362-D366 HydrophobicContact CB-CB 4.3Å; F362-D366 HydrophobicContact CD1-CB 4.03Å; F362-D366 WeakPolarHBondContact O-CA 3.47Å; F362-D366 WeakPolarHBondContact O-CB 3.46Å; F362-D366 PolarHBondContact O-N 2.97Å; F362-G371 VanDerWaalsContact CE1-C 3.46Å; F362-G371 WeakPolarHBondContact CE1-O 3.4Å; F362-I373 HydrophobicContact CD1-CD1 4.39Å; F362-I373 HydrophobicContact CD1-CG1 4.16Å; F362-I373 HydrophobicContact CD2-CD1 3.72Å; F362-I373 HydrophobicContact CD2-CG1 4.36Å; F362-I373 HydrophobicContact CE1-CD1 4.1Å; F362-I373 HydrophobicContact CE1-CG1 3.77Å; F362-I373 HydrophobicContact CE2-CD1 3.42Å; F362-I373 VanDerWaalsContact CE2-CD1 3.42Å; F362-I373 HydrophobicContact CE2-CG1 4.04Å; F362-I373 HydrophobicContact CG-CD1 4.23Å; F362-I373 HydrophobicContact CG-CG1 4.45Å; F362-I373 HydrophobicContact CZ-CD1 3.63Å; F362-I373 HydrophobicContact CZ-CG1 3.72Å; F362-I402 WeakPolarHBondContact CZ-O 3.49Å; F362-K404 HydrophobicContact CD1-CD 4.18Å; F362-K404 VanDerWaalsContact CD1-CE 3.42Å; F362-K404 HydrophobicContact CD1-CG 3.56Å; F362-K404 HydrophobicContact CD2-CG 3.71Å; F362-K404 HydrophobicContact CE1-CB 4.49Å; F362-K404 HydrophobicContact CE1-CG 3.48Å; F362-K404 VanDerWaalsContact CE1-CG 3.48Å; F362-K404 HydrophobicContact CE2-CB 4.25Å; F362-K404 HydrophobicContact CE2-CG 3.62Å; F362-K404 HydrophobicContact CG-CD 4.22Å; F362-K404 VanDerWaalsContact CG-CE 3.48Å; F362-K404 HydrophobicContact CG-CG 3.66Å; F362-K404 HydrophobicContact CZ-CB 4.15Å; F362-K404 HydrophobicContact CZ-CG 3.51Å; F362-K404 VanDerWaalsContact CZ-N 3.28Å; F362-M407 HydrophobicContact CD2-SD 4.48Å; F362-M407 HydrophobicContact CE2-CB 4.28Å; F362-M407 HydrophobicContact CE2-SD 3.92Å
363R74.4Confident72.8Confident138 Ų13856.3 Ų56.352%0.52126%0.26SS..Hα-helixtrans-57.2-29.4177.8-176.6167.667.3-12818.9114.4D288 E359 S360 V361D288-R363 IonicContact OD1-CZ 3.78Å; D288-R363 IonicContact OD1-NE 3.54Å; D288-R363 IonicContact OD1-NH1 2.94Å; D288-R363 IonicContact OD1-NH2 2.84Å; D288-R363 PolarHBondContact OD1-NH2 3.31Å; D288-R363 IonicContact OD2-CZ 2.95Å; D288-R363 VanDerWaalsContact OD2-CZ 3.31Å; D288-R363 IonicContact OD2-NE 2.84Å; D288-R363 PolarHBondContact OD2-NE 3.21Å; D288-R363 IonicContact OD2-NH2 3.84Å; D288-R363 PolarHBondContact OD2-NH2 2.96Å; E359-R363 WeakPolarHBondContact O-CB 3.43Å; E359-R363 PolarHBondContact O-N 2.91Å; E359-R363 VanDerWaalsContact O-N 3.09Å; S360-R363 PolarHBondContact O-N 3.31Å; V361-R363 VanDerWaalsContact C-N 3.32Å; V361-R363 PolarHBondContact O-N 2.95Å
364N66.5Low73.1Confident50 Ų5055.6 Ų55.627%0.26726%0.261SS..Hα-helixtrans-100.9-26.3-174.7-71.2-63000114L78 D288 S360 V361 F362 H367L78-N364 HydrophobicContact CD1-CB 3.6Å; L78-N364 HydrophobicContact CG-CB 4.44Å; D288-N364 VanDerWaalsContact CG-ND2 3.33Å; D288-N364 PolarHBondContact OD2-ND2 3.46Å; S360-N364 PolarHBondContact O-N 2.78Å; S360-N364 PolarHBondContact O-ND2 3Å; V361-N364 PolarHBondContact O-N 3.45Å; F362-N364 PolarHBondContact O-N 3.4Å; N364-H367 PolarHBondContact O-CE1 3.21Å; N364-H367 VanDerWaalsContact O-CE1 3.28Å
365Y70Confident73.2Confident18 Ų1860 Ų607%0.07128%0.281CS..Hα-helixtrans-118.2-16.6-172.8-68.6-80.9000114.5L78 L79 V361 F362 H367 I381L78-Y365 HydrophobicContact CB-CE2 3.8Å; L78-Y365 WeakPolarHBondContact CB-OH 3.35Å; L78-Y365 HydrophobicContact CD1-CD2 4.09Å; L78-Y365 HydrophobicContact CD1-CE2 3.47Å; L78-Y365 VanDerWaalsContact CD1-CE2 3.47Å; L78-Y365 HydrophobicContact CG-CE2 4.12Å; L79-Y365 WeakPolarHBondContact CD2-OH 3.48Å; L79-Y365 WeakPolarHBondContact CG-OH 3.32Å; V361-Y365 HydrophobicContact CG1-CD2 4.04Å; V361-Y365 WeakPolarHBondContact O-CB 3.29Å; V361-Y365 WeakPolarHBondContact O-CD2 3.18Å; V361-Y365 PolarHBondContact O-N 2.9Å; F362-Y365 PolarHBondContact O-N 2.91Å; Y365-H367 VanDerWaalsContact C-N 3.33Å; Y365-H367 PolarHBondContact O-N 3.27Å; Y365-H367 VanDerWaalsContact O-N 3.08Å; Y365-I381 HydrophobicContact CD1-CD1 4.34Å; Y365-I381 HydrophobicContact CD1-CG1 4.06Å; Y365-I381 HydrophobicContact CD2-CD1 3.88Å; Y365-I381 HydrophobicContact CD2-CG1 3.6Å; Y365-I381 HydrophobicContact CE1-CG1 4.11Å; Y365-I381 HydrophobicContact CE2-CD1 4.4Å; Y365-I381 HydrophobicContact CE2-CG1 3.61Å; Y365-I381 HydrophobicContact CG-CD1 3.82Å; Y365-I381 HydrophobicContact CG-CG1 3.81Å
366D74.1Confident72.9Confident9 Ų961.2 Ų61.25%0.04829%0.293CS..  trans-80.583.4168.9177.8-2.6000108F362 H369 D370 G371F362-D366 HydrophobicContact CB-CB 4.3Å; F362-D366 HydrophobicContact CD1-CB 4.03Å; F362-D366 WeakPolarHBondContact O-CA 3.47Å; F362-D366 WeakPolarHBondContact O-CB 3.46Å; F362-D366 PolarHBondContact O-N 2.97Å; D366-H369 PolarHBondContact O-CE1 3.4Å; D366-H369 PolarHBondContact O-ND1 2.92Å; D366-H369 WeakPolarHBondContact OD1-CA 3.46Å; D366-H369 PolarHBondContact OD1-N 3.38Å; D366-D370 PolarHBondContact OD1-N 3.32Å; D366-G371 VanDerWaalsContact OD2-CA 3.28Å; D366-G371 WeakPolarHBondContact OD2-CA 3.18Å; D366-G371 PolarHBondContact OD2-N 3.35Å
367H68.6Low72.8Confident128 Ų12859.5 Ų59.559%0.59329%0.287SS*.SBendtrans-73.4-28.9-170.6-73.1-39.5000113.7N364 Y365 D377N364-H367 PolarHBondContact O-CE1 3.21Å; N364-H367 VanDerWaalsContact O-CE1 3.28Å; Y365-H367 VanDerWaalsContact C-N 3.33Å; Y365-H367 PolarHBondContact O-N 3.27Å; Y365-H367 VanDerWaalsContact O-N 3.08Å; H367-D377 IonicContact CD2-OD1 3.21Å
368D72.4Confident72.9Confident115 Ų11559.6 Ų59.662%0.61529%0.288SS*.SBendtrans-97.3-5.2178.654.4-3.9000113.2D370D368-D370 PolarHBondContact O-N 2.91Å
369H72.9Confident72.5Confident150 Ų15065.2 Ų65.269%0.69431%0.314SS*.  trans6130.8177.7-58-37.6000112.9D366 G371D366-H369 PolarHBondContact O-CE1 3.4Å; D366-H369 PolarHBondContact O-ND1 2.92Å; D366-H369 WeakPolarHBondContact OD1-CA 3.46Å; D366-H369 PolarHBondContact OD1-N 3.38Å; H369-G371 VanDerWaalsContact C-N 3.28Å
370D76.6Confident71.9Confident72 Ų7261.4 Ų61.439%0.38530%0.301SS..SBendtrans-83.1-10.6-179.576.5-10.4000112.2D366 D368 Y372D366-D370 PolarHBondContact OD1-N 3.32Å; D368-D370 PolarHBondContact O-N 2.91Å; D370-Y372 HydrophobicContact CB-CD2 4.42Å; D370-Y372 VanDerWaalsContact O-CD2 3.3Å; D370-Y372 WeakPolarHBondContact O-CD2 3.13Å; D370-Y372 WeakPolarHBondContact O-CE2 3.46Å; D370-Y372 WeakPolarHBondContact OD1-CA 3.33Å; D370-Y372 WeakPolarHBondContact OD1-CB 3.41Å; D370-Y372 PolarHBondContact OD1-N 3.39Å
371G75.3Confident71.6Confident22 Ų2261.4 Ų61.423%0.22730%0.3CS..SBendtrans87.315.1-17900000114.1F362 D366 H369F362-G371 VanDerWaalsContact CE1-C 3.46Å; F362-G371 WeakPolarHBondContact CE1-O 3.4Å; D366-G371 VanDerWaalsContact OD2-CA 3.28Å; D366-G371 WeakPolarHBondContact OD2-CA 3.18Å; D366-G371 PolarHBondContact OD2-N 3.35Å; H369-G371 VanDerWaalsContact C-N 3.28Å
372Y80.5Confident71.2Confident92 Ų9262.7 Ų62.736%0.36131%0.311SS..EExtended strand (participates in β ladder)trans-127.6163.2179.3-61-89.5000112D370 L401 I402D370-Y372 HydrophobicContact CB-CD2 4.42Å; D370-Y372 VanDerWaalsContact O-CD2 3.3Å; D370-Y372 WeakPolarHBondContact O-CD2 3.13Å; D370-Y372 WeakPolarHBondContact O-CE2 3.46Å; D370-Y372 WeakPolarHBondContact OD1-CA 3.33Å; D370-Y372 WeakPolarHBondContact OD1-CB 3.41Å; D370-Y372 PolarHBondContact OD1-N 3.39Å; Y372-L401 HydrophobicContact CD1-CB 3.91Å; Y372-L401 HydrophobicContact CD1-CD1 4.37Å; Y372-L401 HydrophobicContact CG-CB 4.22Å; Y372-L401 HydrophobicContact CG-CD1 4.19Å; Y372-I402 CarbonylContact C-O 3.54Å; Y372-I402 WeakPolarHBondContact CA-O 3.39Å
373I78.5Confident70.6Confident0 Ų064.2 Ų64.20%032%0.324CS..EExtended strand (participates in β ladder)trans-122.7125.5174-64.9172.2000108.1V361 F362 D377 F378 I381 I402 M407V361-I373 HydrophobicContact CG1-CD1 3.61Å; F362-I373 HydrophobicContact CD1-CD1 4.39Å; F362-I373 HydrophobicContact CD1-CG1 4.16Å; F362-I373 HydrophobicContact CD2-CD1 3.72Å; F362-I373 HydrophobicContact CD2-CG1 4.36Å; F362-I373 HydrophobicContact CE1-CD1 4.1Å; F362-I373 HydrophobicContact CE1-CG1 3.77Å; F362-I373 HydrophobicContact CE2-CD1 3.42Å; F362-I373 VanDerWaalsContact CE2-CD1 3.42Å; F362-I373 HydrophobicContact CE2-CG1 4.04Å; F362-I373 HydrophobicContact CG-CD1 4.23Å; F362-I373 HydrophobicContact CG-CG1 4.45Å; F362-I373 HydrophobicContact CZ-CD1 3.63Å; F362-I373 HydrophobicContact CZ-CG1 3.72Å; I373-D377 HydrophobicContact CG2-CB 3.85Å; I373-F378 HydrophobicContact CG2-CB 4.1Å; I373-I381 HydrophobicContact CD1-CD1 3.96Å; I373-I381 HydrophobicContact CG2-CD1 3.91Å; I373-I402 HydrophobicContact CB-CB 4.36Å; I373-I402 PolarHBondContact N-O 2.66Å; I373-I402 PolarHBondContact O-N 2.9Å; I373-M407 HydrophobicContact CD1-CE 3.99Å; I373-M407 HydrophobicContact CD1-SD 4Å
374S76.5Confident69.7Low37 Ų3757.8 Ų57.826%0.25930%0.3SS..EExtended strand (participates in β ladder)trans-72.6164.3177.280.20000112.2E376 D377 F378S374-E376 VanDerWaalsContact C-N 3.32Å; S374-E376 PolarHBondContact O-N 2.71Å; S374-D377 PolarHBondContact O-N 3.03Å; S374-D377 VanDerWaalsContact OG-CG 3.27Å; S374-D377 PolarHBondContact OG-N 3.15Å; S374-D377 PolarHBondContact OG-OD2 3.48Å; S374-F378 WeakPolarHBondContact O-CB 3.44Å; S374-F378 PolarHBondContact O-N 2.78Å
375Q72.1Confident69.3Low92 Ų9255.9 Ų55.943%0.4329%0.289SS..Hα-helixtrans-59.7-39.3176.8-175.3172.2-7.400113.5F378 E379 F391Q375-F378 PolarHBondContact O-N 3.09Å; Q375-E379 WeakPolarHBondContact O-CG 3.44Å; Q375-E379 PolarHBondContact O-N 3.4Å; Q375-F391 HydrophobicContact CB-CD1 4.17Å; Q375-F391 HydrophobicContact CB-CD2 3.92Å; Q375-F391 HydrophobicContact CB-CE1 4.04Å; Q375-F391 HydrophobicContact CB-CE2 3.78Å; Q375-F391 HydrophobicContact CB-CG 4.12Å; Q375-F391 HydrophobicContact CB-CZ 3.85Å; Q375-F391 HydrophobicContact CG-CB 4.19Å; Q375-F391 HydrophobicContact CG-CD1 4Å; Q375-F391 HydrophobicContact CG-CD2 3.91Å; Q375-F391 HydrophobicContact CG-CE1 4.38Å; Q375-F391 HydrophobicContact CG-CE2 4.3Å; Q375-F391 HydrophobicContact CG-CG 3.75Å
376E67.3Low68.4Low155 Ų15555.5 Ų55.572%0.72429%0.289SS*.Hα-helixtrans-67.4-40.4179.6-63.3-177.4-178.200111.6S374 F378 S380S374-E376 VanDerWaalsContact C-N 3.32Å; S374-E376 PolarHBondContact O-N 2.71Å; E376-F378 VanDerWaalsContact C-N 3.34Å; E376-S380 PolarHBondContact O-N 3.14Å; E376-S380 PolarHBondContact O-OG 3.08Å
377D70.6Confident67.2Low39 Ų3958.6 Ų58.621%0.20930%0.302CS..Hα-helixtrans-69.8-33.5176.2-62.8-46.5000111.6H367 I373 S374 S380 I381H367-D377 IonicContact CD2-OD1 3.21Å; I373-D377 HydrophobicContact CG2-CB 3.85Å; S374-D377 PolarHBondContact O-N 3.03Å; S374-D377 VanDerWaalsContact OG-CG 3.27Å; S374-D377 PolarHBondContact OG-N 3.15Å; S374-D377 PolarHBondContact OG-OD2 3.48Å; D377-S380 VanDerWaalsContact O-CB 3.32Å; D377-S380 WeakPolarHBondContact O-CB 3.48Å; D377-S380 PolarHBondContact O-N 3.23Å; D377-I381 WeakPolarHBondContact O-CD1 3.46Å; D377-I381 WeakPolarHBondContact O-CG1 3.37Å; D377-I381 PolarHBondContact O-N 3.25Å; D377-I381 VanDerWaalsContact O-N 3.16Å
378F71.3Confident66.7Low3 Ų353.8 Ų53.81%0.01328%0.281CS..Hα-helixtrans-69.2-42.2176.7-177.8-100.7000113.4I373 S374 Q375 E376 S380 I381 A382 L388 F391 L394 I402 M407I373-F378 HydrophobicContact CG2-CB 4.1Å; S374-F378 WeakPolarHBondContact O-CB 3.44Å; S374-F378 PolarHBondContact O-N 2.78Å; Q375-F378 PolarHBondContact O-N 3.09Å; E376-F378 VanDerWaalsContact C-N 3.34Å; F378-S380 PolarHBondContact O-N 3.24Å; F378-I381 CarbonylContact O-C 3.59Å; F378-I381 WeakPolarHBondContact O-CA 3.41Å; F378-I381 WeakPolarHBondContact O-CB 3.42Å; F378-I381 PolarHBondContact O-N 3.18Å; F378-A382 HydrophobicContact CE1-CB 4.35Å; F378-A382 PolarHBondContact O-N 3.39Å; F378-L388 HydrophobicContact CE1-CD2 4.29Å; F378-L388 HydrophobicContact CE2-CD2 3.57Å; F378-L388 HydrophobicContact CZ-CD2 3.36Å; F378-L388 HydrophobicContact CZ-CG 4.02Å; F378-F391 HydrophobicContact CB-CD2 3.6Å; F378-F391 HydrophobicContact CB-CE2 3.93Å; F378-F391 HydrophobicContact CD1-CB 3.87Å; F378-F391 AromaticContact CD1-CD2 3.6Å; F378-F391 HydrophobicContact CD1-CD2 3.6Å; F378-F391 HydrophobicContact CD1-CG 4.24Å; F378-F391 HydrophobicContact CE1-CB 4.2Å; F378-F391 HydrophobicContact CE1-CD2 4.47Å; F378-F391 AromaticContact CG-CD2 3.68Å; F378-F391 HydrophobicContact CG-CD2 3.68Å; F378-F391 HydrophobicContact CG-CE2 4.34Å; F378-L394 HydrophobicContact CD2-CD2 4.42Å; F378-L394 HydrophobicContact CE1-CD1 4.33Å; F378-L394 HydrophobicContact CE2-CD1 4.37Å; F378-L394 HydrophobicContact CE2-CD2 3.35Å; F378-L394 HydrophobicContact CE2-CG 4.3Å; F378-L394 HydrophobicContact CZ-CD1 3.63Å; F378-L394 HydrophobicContact CZ-CD2 3.51Å; F378-L394 HydrophobicContact CZ-CG 4.05Å; F378-I402 HydrophobicContact CB-CD1 4.11Å; F378-I402 HydrophobicContact CD1-CD1 4.26Å; F378-I402 HydrophobicContact CD2-CD1 3.38Å; F378-I402 HydrophobicContact CE2-CD1 3.82Å; F378-I402 HydrophobicContact CG-CD1 3.63Å; F378-I402 HydrophobicContact CZ-CD1 4.38Å; F378-M407 HydrophobicContact CD2-CE 4.12Å; F378-M407 HydrophobicContact CE2-CE 4.03Å
379E64.9Low65.8Low122 Ų12251.7 Ų51.757%0.5727%0.27SS*.Hα-helixtrans-60-34.7177.1-75.9180-174.200111.6Q375Q375-E379 WeakPolarHBondContact O-CG 3.44Å; Q375-E379 PolarHBondContact O-N 3.4Å
380S63.5Low64.8Low43 Ų4348.1 Ų48.130%0.30126%0.262SS..Hα-helixtrans-59.4-56.2168.4-63.90000110L79 E376 D377 F378 A382 A383L79-S380 WeakPolarHBondContact CD2-O 3.43Å; E376-S380 PolarHBondContact O-N 3.14Å; E376-S380 PolarHBondContact O-OG 3.08Å; D377-S380 VanDerWaalsContact O-CB 3.32Å; D377-S380 WeakPolarHBondContact O-CB 3.48Å; D377-S380 PolarHBondContact O-N 3.23Å; F378-S380 PolarHBondContact O-N 3.24Å; S380-A382 VanDerWaalsContact C-N 3.3Å; S380-A382 PolarHBondContact O-N 3.45Å; S380-A383 WeakPolarHBondContact O-CB 3.41Å; S380-A383 PolarHBondContact O-N 3.39Å; S380-A383 VanDerWaalsContact O-N 3.17Å
381I63.8Low63.7Low0 Ų045.3 Ų45.30%025%0.246CC..Hα-helixtrans-57.2-40.5-179.6-63.9154.3000112.6V361 Y365 I373 D377 F378 A383 N384 F385 M407V361-I381 HydrophobicContact CG1-CD1 3.32Å; V361-I381 HydrophobicContact CG1-CG1 3.93Å; V361-I381 HydrophobicContact CG1-CG2 4.31Å; Y365-I381 HydrophobicContact CD1-CD1 4.34Å; Y365-I381 HydrophobicContact CD1-CG1 4.06Å; Y365-I381 HydrophobicContact CD2-CD1 3.88Å; Y365-I381 HydrophobicContact CD2-CG1 3.6Å; Y365-I381 HydrophobicContact CE1-CG1 4.11Å; Y365-I381 HydrophobicContact CE2-CD1 4.4Å; Y365-I381 HydrophobicContact CE2-CG1 3.61Å; Y365-I381 HydrophobicContact CG-CD1 3.82Å; Y365-I381 HydrophobicContact CG-CG1 3.81Å; I373-I381 HydrophobicContact CD1-CD1 3.96Å; I373-I381 HydrophobicContact CG2-CD1 3.91Å; D377-I381 WeakPolarHBondContact O-CD1 3.46Å; D377-I381 WeakPolarHBondContact O-CG1 3.37Å; D377-I381 PolarHBondContact O-N 3.25Å; D377-I381 VanDerWaalsContact O-N 3.16Å; F378-I381 CarbonylContact O-C 3.59Å; F378-I381 WeakPolarHBondContact O-CA 3.41Å; F378-I381 WeakPolarHBondContact O-CB 3.42Å; F378-I381 PolarHBondContact O-N 3.18Å; I381-A383 PolarHBondContact O-N 3.08Å; I381-N384 VanDerWaalsContact O-CB 3.3Å; I381-N384 WeakPolarHBondContact O-CB 3.43Å; I381-N384 PolarHBondContact O-N 3.04Å; I381-F385 HydrophobicContact CG2-CD2 4.12Å; I381-F385 HydrophobicContact CG2-CE2 3.97Å; I381-F385 WeakPolarHBondContact O-CD2 3.47Å; I381-M407 HydrophobicContact CD1-CE 4.4Å; I381-M407 HydrophobicContact CG2-CE 4.32Å
382A62.3Low62.5Low29 Ų2948.8 Ų48.824%0.2427%0.266CS..Hα-helixtrans-59.8-28.5-178.700000113.5F378 S380 N384 F385 L388F378-A382 HydrophobicContact CE1-CB 4.35Å; F378-A382 PolarHBondContact O-N 3.39Å; S380-A382 VanDerWaalsContact C-N 3.3Å; S380-A382 PolarHBondContact O-N 3.45Å; A382-N384 PolarHBondContact O-N 2.81Å; A382-N384 VanDerWaalsContact O-N 3.12Å; A382-F385 PolarHBondContact O-N 3Å; A382-F385 VanDerWaalsContact O-O 3.11Å; A382-L388 HydrophobicContact CB-CB 4.32Å; A382-L388 HydrophobicContact CB-CD2 3.87Å
383A61.5Low61.5Low34 Ų3447 Ų4728%0.28126%0.264SS..THydrogen-bonded Turntrans-62-20.1175.900000113.6S380 I381S380-A383 WeakPolarHBondContact O-CB 3.41Å; S380-A383 PolarHBondContact O-N 3.39Å; S380-A383 VanDerWaalsContact O-N 3.17Å; I381-A383 PolarHBondContact O-N 3.08Å
384N54.9Low60.7Low3 Ų347 Ų472%0.01626%0.264CS..THydrogen-bonded Turntrans-88-20.3-179.8-67.1-40.7000115.3L78 L79 F80 L292 I381 A382L78-N384 PolarHBondContact O-ND2 3.26Å; L78-N384 PolarHBondContact O-OD1 3.36Å; L79-N384 VanDerWaalsContact C-OD1 3.3Å; L79-N384 WeakPolarHBondContact CA-OD1 3.37Å; F80-N384 PolarHBondContact N-OD1 3.24Å; L292-N384 HydrophobicContact CD1-CB 4.01Å; L292-N384 HydrophobicContact CD2-CB 4.19Å; I381-N384 VanDerWaalsContact O-CB 3.3Å; I381-N384 WeakPolarHBondContact O-CB 3.43Å; I381-N384 PolarHBondContact O-N 3.04Å; A382-N384 PolarHBondContact O-N 2.81Å; A382-N384 VanDerWaalsContact O-N 3.12Å
385F57.9Low60.3Low10 Ų1045.9 Ų45.94%0.04426%0.255CS..SBendtrans-117.498.6-172.4-67.7-78.7000107.1L292 L295 S296 L357 I381 A382 F387 L388 F411L292-F385 HydrophobicContact CD1-CE2 3.81Å; L292-F385 HydrophobicContact CD1-CZ 3.81Å; L292-F385 HydrophobicContact CD2-CZ 4.43Å; L292-F385 HydrophobicContact CG-CE1 4.26Å; L292-F385 HydrophobicContact CG-CE2 4.06Å; L292-F385 HydrophobicContact CG-CZ 3.55Å; L295-F385 HydrophobicContact CD2-CE1 4.38Å; S296-F385 WeakPolarHBondContact OG-CD1 3.46Å; S296-F385 WeakPolarHBondContact OG-CE1 3.43Å; L357-F385 HydrophobicContact CD1-CZ 4Å; L357-F385 HydrophobicContact CD2-CE1 3.86Å; L357-F385 HydrophobicContact CD2-CE2 4.49Å; L357-F385 HydrophobicContact CD2-CZ 3.53Å; L357-F385 HydrophobicContact CG-CZ 4.33Å; I381-F385 HydrophobicContact CG2-CD2 4.12Å; I381-F385 HydrophobicContact CG2-CE2 3.97Å; I381-F385 WeakPolarHBondContact O-CD2 3.47Å; A382-F385 PolarHBondContact O-N 3Å; A382-F385 VanDerWaalsContact O-O 3.11Å; F385-F387 PolarHBondContact O-N 3.34Å; F385-F387 VanDerWaalsContact O-N 3.14Å; F385-L388 HydrophobicContact CB-CB 3.87Å; F385-L388 HydrophobicContact CB-CD1 3.89Å; F385-L388 HydrophobicContact CB-CD2 4.42Å; F385-L388 HydrophobicContact CB-CG 4.3Å; F385-L388 HydrophobicContact CG-CD1 4.29Å; F385-L388 PolarHBondContact O-N 2.94Å; F385-F411 HydrophobicContact CD1-CE1 4.28Å; F385-F411 HydrophobicContact CD2-CZ 4.5Å; F385-F411 HydrophobicContact CE1-CE1 4.39Å; F385-F411 HydrophobicContact CE2-CZ 4.41Å; F385-F411 HydrophobicContact CG-CE1 4.48Å; F385-F411 HydrophobicContact CZ-CZ 4.43Å
386P50.3Low60.1Low10 Ų1048 Ų487%0.06526%0.263CS..THydrogen-bonded Turntrans-58.6127177.124.1-28.8000107.7L139 M140 L299L139-P386 HydrophobicContact CB-CB 4.32Å; L139-P386 HydrophobicContact CB-CG 4.2Å; M140-P386 HydrophobicContact CG-CG 4.39Å; M140-P386 HydrophobicContact SD-CB 4.08Å; M140-P386 HydrophobicContact SD-CG 3.74Å; L299-P386 HydrophobicContact CD1-CG 4.18Å
387F49.9Very low60.3Low74 Ų7445.3 Ų45.333%0.32525%0.254SS..THydrogen-bonded Turntrans71.522.3-178-42.1-79.7000116.1L139 Y301 L309 F385 D389L139-F387 HydrophobicContact CB-CE2 4.2Å; L139-F387 HydrophobicContact CD2-CE2 3.75Å; L139-F387 HydrophobicContact CD2-CZ 4.41Å; L139-F387 HydrophobicContact CG-CE2 4.48Å; Y301-F387 AromaticContact CZ-CD2 3.92Å; Y301-F387 WeakPolarHBondContact OH-CD2 3.39Å; L309-F387 HydrophobicContact CD1-CE1 4.36Å; L309-F387 HydrophobicContact CD1-CE2 4.39Å; L309-F387 HydrophobicContact CD1-CZ 3.77Å; L309-F387 HydrophobicContact CD2-CE1 4.22Å; L309-F387 HydrophobicContact CD2-CZ 4.38Å; F385-F387 PolarHBondContact O-N 3.34Å; F385-F387 VanDerWaalsContact O-N 3.14Å; F387-D389 PolarHBondContact O-N 3.27Å
388L58.4Low60.2Low27 Ų2751.4 Ų51.414%0.14128%0.281CS..PPolyproline II helixtrans-60.1127.4162.1-154.475.7000109.1F378 A382 F385 Y410 F411F378-L388 HydrophobicContact CE1-CD2 4.29Å; F378-L388 HydrophobicContact CE2-CD2 3.57Å; F378-L388 HydrophobicContact CZ-CD2 3.36Å; F378-L388 HydrophobicContact CZ-CG 4.02Å; A382-L388 HydrophobicContact CB-CB 4.32Å; A382-L388 HydrophobicContact CB-CD2 3.87Å; F385-L388 HydrophobicContact CB-CB 3.87Å; F385-L388 HydrophobicContact CB-CD1 3.89Å; F385-L388 HydrophobicContact CB-CD2 4.42Å; F385-L388 HydrophobicContact CB-CG 4.3Å; F385-L388 HydrophobicContact CG-CD1 4.29Å; F385-L388 PolarHBondContact O-N 2.94Å; L388-Y410 HydrophobicContact CD1-CD1 4.21Å; L388-Y410 HydrophobicContact CD1-CE1 3.39Å; L388-Y410 HydrophobicContact CG-CE1 4.07Å; L388-F411 HydrophobicContact CD1-CD1 4.44Å; L388-F411 HydrophobicContact CD1-CE1 3.49Å; L388-F411 VanDerWaalsContact CD1-CE1 3.49Å; L388-F411 HydrophobicContact CD1-CZ 3.7Å
389D53.4Low60.4Low72 Ų7254.8 Ų54.839%0.38530%0.299SS..PPolyproline II helixtrans-64.7158.3-179.8-68.1-62.2000111F387 V393 L394 Y410F387-D389 PolarHBondContact O-N 3.27Å; D389-V393 HydrophobicContact CB-CB 3.79Å; D389-V393 HydrophobicContact CB-CG1 3.78Å; D389-V393 HydrophobicContact CB-CG2 4.12Å; D389-L394 HydrophobicContact CB-CD1 4.23Å; D389-L394 WeakPolarHBondContact O-CD1 3.4Å; D389-Y410 HydrophobicContact CB-CE2 3.75Å; D389-Y410 WeakPolarHBondContact CB-OH 3.25Å; D389-Y410 VanDerWaalsContact CG-OH 3.27Å; D389-Y410 PolarHBondContact N-OH 2.8Å; D389-Y410 WeakPolarHBondContact OD2-CE2 3.39Å; D389-Y410 PolarHBondContact OD2-OH 3.01Å
390S51.7Low60.7Low75 Ų7550.7 Ų50.752%0.52429%0.29SS..PPolyproline II helixtrans-57150.5179.357.60000112C392 V393S390-C392 PolarHBondContact O-N 3.35Å; S390-V393 WeakPolarHBondContact O-CB 3.45Å; S390-V393 PolarHBondContact O-N 3.32Å
391F54.1Low61.4Low12 Ų1251.2 Ų51.25%0.05329%0.289CS..Hα-helixtrans-40.5-45.1178-174.3-95.2000113.5Q375 F378 V393 L394 D395 G400 I402Q375-F391 HydrophobicContact CB-CD1 4.17Å; Q375-F391 HydrophobicContact CB-CD2 3.92Å; Q375-F391 HydrophobicContact CB-CE1 4.04Å; Q375-F391 HydrophobicContact CB-CE2 3.78Å; Q375-F391 HydrophobicContact CB-CG 4.12Å; Q375-F391 HydrophobicContact CB-CZ 3.85Å; Q375-F391 HydrophobicContact CG-CB 4.19Å; Q375-F391 HydrophobicContact CG-CD1 4Å; Q375-F391 HydrophobicContact CG-CD2 3.91Å; Q375-F391 HydrophobicContact CG-CE1 4.38Å; Q375-F391 HydrophobicContact CG-CE2 4.3Å; Q375-F391 HydrophobicContact CG-CG 3.75Å; F378-F391 HydrophobicContact CB-CD2 3.6Å; F378-F391 HydrophobicContact CB-CE2 3.93Å; F378-F391 HydrophobicContact CD1-CB 3.87Å; F378-F391 AromaticContact CD1-CD2 3.6Å; F378-F391 HydrophobicContact CD1-CD2 3.6Å; F378-F391 HydrophobicContact CD1-CG 4.24Å; F378-F391 HydrophobicContact CE1-CB 4.2Å; F378-F391 HydrophobicContact CE1-CD2 4.47Å; F378-F391 AromaticContact CG-CD2 3.68Å; F378-F391 HydrophobicContact CG-CD2 3.68Å; F378-F391 HydrophobicContact CG-CE2 4.34Å; F391-V393 PolarHBondContact O-N 3.22Å; F391-L394 PolarHBondContact O-N 2.93Å; F391-D395 HydrophobicContact CD1-CB 4.24Å; F391-D395 HydrophobicContact CE1-CB 3.88Å; F391-D395 HydrophobicContact CZ-CB 4.35Å; F391-D395 PolarHBondContact O-N 2.82Å; F391-G400 WeakPolarHBondContact CZ-O 3.25Å; F391-I402 HydrophobicContact CD2-CD1 3.45Å; F391-I402 VanDerWaalsContact CD2-CD1 3.45Å; F391-I402 HydrophobicContact CD2-CG1 4.11Å; F391-I402 HydrophobicContact CE2-CD1 3.34Å; F391-I402 HydrophobicContact CE2-CG1 3.55Å; F391-I402 HydrophobicContact CG-CD1 4.38Å; F391-I402 HydrophobicContact CZ-CD1 4.2Å; F391-I402 HydrophobicContact CZ-CG1 3.95Å
392C49.3Very low62.1Low95 Ų9551.2 Ų51.264%0.64229%0.289SS*.Hα-helixtrans-62.7-13.5-179.5-43.80000115.5S390S390-C392 PolarHBondContact O-N 3.35Å
393V58.5Low63.1Low54 Ų5450.9 Ų50.933%0.32729%0.285SS..Hα-helixtrans-92-24176.4176.70000111.1D389 S390 F391 Y410 R413D389-V393 HydrophobicContact CB-CB 3.79Å; D389-V393 HydrophobicContact CB-CG1 3.78Å; D389-V393 HydrophobicContact CB-CG2 4.12Å; S390-V393 WeakPolarHBondContact O-CB 3.45Å; S390-V393 PolarHBondContact O-N 3.32Å; F391-V393 PolarHBondContact O-N 3.22Å; V393-Y410 HydrophobicContact CG1-CE2 4.2Å; V393-R413 PolarHBondContact O-NH2 3.47Å
394L62.8Low63.9Low0 Ų053.4 Ų53.40%029%0.29CS..Hα-helixtrans-90.1-43.7179.2-78.384.4000111.8F378 D389 F391 K396 I402 Y410F378-L394 HydrophobicContact CD2-CD2 4.42Å; F378-L394 HydrophobicContact CE1-CD1 4.33Å; F378-L394 HydrophobicContact CE2-CD1 4.37Å; F378-L394 HydrophobicContact CE2-CD2 3.35Å; F378-L394 HydrophobicContact CE2-CG 4.3Å; F378-L394 HydrophobicContact CZ-CD1 3.63Å; F378-L394 HydrophobicContact CZ-CD2 3.51Å; F378-L394 HydrophobicContact CZ-CG 4.05Å; D389-L394 HydrophobicContact CB-CD1 4.23Å; D389-L394 WeakPolarHBondContact O-CD1 3.4Å; F391-L394 PolarHBondContact O-N 2.93Å; L394-K396 PolarHBondContact O-N 3.47Å; L394-K396 VanDerWaalsContact O-N 3.09Å; L394-I402 HydrophobicContact CB-CD1 3.71Å; L394-I402 HydrophobicContact CB-CG1 4.18Å; L394-I402 HydrophobicContact CD2-CD1 4.34Å; L394-Y410 HydrophobicContact CD1-CD1 4.22Å; L394-Y410 HydrophobicContact CD1-CD2 3.58Å; L394-Y410 HydrophobicContact CD1-CE1 4.21Å; L394-Y410 HydrophobicContact CD1-CE2 3.53Å; L394-Y410 HydrophobicContact CD1-CG 3.93Å; L394-Y410 HydrophobicContact CD2-CD1 3.57Å; L394-Y410 HydrophobicContact CD2-CD2 4.1Å; L394-Y410 HydrophobicContact CD2-CE1 4.18Å; L394-Y410 HydrophobicContact CD2-CG 3.54Å; L394-Y410 HydrophobicContact CG-CD1 3.88Å; L394-Y410 HydrophobicContact CG-CD2 3.43Å; L394-Y410 VanDerWaalsContact CG-CD2 3.43Å; L394-Y410 HydrophobicContact CG-CE1 4.37Å; L394-Y410 HydrophobicContact CG-CE2 3.95Å; L394-Y410 HydrophobicContact CG-CG 3.39Å
395D67.4Low64.7Low14 Ų1459.7 Ų59.78%0.07532%0.323CS..  trans-6896.2170.8176.62.7000109F391 Q398 D399 G400 I402F391-D395 HydrophobicContact CD1-CB 4.24Å; F391-D395 HydrophobicContact CE1-CB 3.88Å; F391-D395 HydrophobicContact CZ-CB 4.35Å; F391-D395 PolarHBondContact O-N 2.82Å; D395-Q398 WeakPolarHBondContact OD1-CA 3.42Å; D395-Q398 PolarHBondContact OD1-N 3.19Å; D395-Q398 WeakPolarHBondContact OD2-CA 3.09Å; D395-D399 PolarHBondContact OD1-N 3.12Å; D395-D399 VanDerWaalsContact OD1-N 3.11Å; D395-G400 WeakPolarHBondContact OD2-CA 3.46Å; D395-G400 PolarHBondContact OD2-N 3.47Å; D395-I402 HydrophobicContact CB-CG1 4.34Å
396K67.5Low65.6Low136 Ų13659.9 Ų59.959%0.59132%0.324SS*.SBendtrans-88.8-32.1-170.1178.6-172167.7-163.90111.2L394 E406L394-K396 PolarHBondContact O-N 3.47Å; L394-K396 VanDerWaalsContact O-N 3.09Å; K396-E406 WeakPolarHBondContact CA-OE1 3.29Å; K396-E406 HydrophobicContact CB-CG 4.24Å; K396-E406 VanDerWaalsContact CB-OE1 3.3Å; K396-E406 WeakPolarHBondContact CB-OE1 3.18Å; K396-E406 PolarHBondContact N-OE1 3.22Å
397D71.6Confident66.7Low100 Ų10059.4 Ų59.454%0.53532%0.321SS..SBendtrans-89.6-2.8175.855.914.6000113.5D399 E406D397-D399 PolarHBondContact O-N 2.85Å; D397-E406 PolarHBondContact N-OE1 3.33Å
398Q69Low67.8Low166 Ų16657.1 Ų57.178%0.77631%0.313SS*.  trans60.234.4177-59.6-175.5-500112.2D395 G400D395-Q398 WeakPolarHBondContact OD1-CA 3.42Å; D395-Q398 PolarHBondContact OD1-N 3.19Å; D395-Q398 WeakPolarHBondContact OD2-CA 3.09Å; Q398-G400 VanDerWaalsContact C-N 3.29Å
399D75Confident68.2Low74 Ų7457.4 Ų57.440%0.39632%0.32SS..SBendtrans-86.3-3.7-179.476.8-5.2000112.7D395 D397 L401D395-D399 PolarHBondContact OD1-N 3.12Å; D395-D399 VanDerWaalsContact OD1-N 3.11Å; D397-D399 PolarHBondContact O-N 2.85Å; D399-L401 VanDerWaalsContact C-N 3.3Å; D399-L401 WeakPolarHBondContact OD1-CA 3.23Å; D399-L401 WeakPolarHBondContact OD1-CB 3.39Å; D399-L401 PolarHBondContact OD1-N 2.74Å
400G71.5Confident69Low36 Ų3654.3 Ų54.337%0.37130%0.303SS..SBendtrans81.99.3-178.700000113.4F391 D395 Q398F391-G400 WeakPolarHBondContact CZ-O 3.25Å; D395-G400 WeakPolarHBondContact OD2-CA 3.46Å; D395-G400 PolarHBondContact OD2-N 3.47Å; Q398-G400 VanDerWaalsContact C-N 3.29Å
401L79.6Confident69.7Low54 Ų5451.4 Ų51.428%0.28328%0.28SS..EExtended strand (participates in β ladder)trans-131.3156.1-179.7-65.1173000109.2Y372 D399Y372-L401 HydrophobicContact CD1-CB 3.91Å; Y372-L401 HydrophobicContact CD1-CD1 4.37Å; Y372-L401 HydrophobicContact CG-CB 4.22Å; Y372-L401 HydrophobicContact CG-CD1 4.19Å; D399-L401 VanDerWaalsContact C-N 3.3Å; D399-L401 WeakPolarHBondContact OD1-CA 3.23Å; D399-L401 WeakPolarHBondContact OD1-CB 3.39Å; D399-L401 PolarHBondContact OD1-N 2.74Å
402I78.2Confident70.3Confident0 Ų052.5 Ų52.50%029%0.287CS..EExtended strand (participates in β ladder)trans-114.6115.3173.6-64.3168.7000108.6F362 Y372 I373 F378 F391 L394 D395 E406 M407F362-I402 WeakPolarHBondContact CZ-O 3.49Å; Y372-I402 CarbonylContact C-O 3.54Å; Y372-I402 WeakPolarHBondContact CA-O 3.39Å; I373-I402 HydrophobicContact CB-CB 4.36Å; I373-I402 PolarHBondContact N-O 2.66Å; I373-I402 PolarHBondContact O-N 2.9Å; F378-I402 HydrophobicContact CB-CD1 4.11Å; F378-I402 HydrophobicContact CD1-CD1 4.26Å; F378-I402 HydrophobicContact CD2-CD1 3.38Å; F378-I402 HydrophobicContact CE2-CD1 3.82Å; F378-I402 HydrophobicContact CG-CD1 3.63Å; F378-I402 HydrophobicContact CZ-CD1 4.38Å; F391-I402 HydrophobicContact CD2-CD1 3.45Å; F391-I402 VanDerWaalsContact CD2-CD1 3.45Å; F391-I402 HydrophobicContact CD2-CG1 4.11Å; F391-I402 HydrophobicContact CE2-CD1 3.34Å; F391-I402 HydrophobicContact CE2-CG1 3.55Å; F391-I402 HydrophobicContact CG-CD1 4.38Å; F391-I402 HydrophobicContact CZ-CD1 4.2Å; F391-I402 HydrophobicContact CZ-CG1 3.95Å; L394-I402 HydrophobicContact CB-CD1 3.71Å; L394-I402 HydrophobicContact CB-CG1 4.18Å; L394-I402 HydrophobicContact CD2-CD1 4.34Å; D395-I402 HydrophobicContact CB-CG1 4.34Å; I402-E406 HydrophobicContact CG2-CB 4.33Å; I402-M407 HydrophobicContact CG2-CB 3.96Å
403S81.7Confident70.9Confident22 Ų2249.5 Ų49.515%0.15426%0.262CS..EExtended strand (participates in β ladder)trans-76.5161.2173.768.90000112.7D405 E406 M407S403-D405 VanDerWaalsContact C-N 3.27Å; S403-D405 PolarHBondContact O-N 3.43Å; S403-E406 WeakPolarHBondContact CB-OE2 3.47Å; S403-E406 PolarHBondContact N-OE2 3.36Å; S403-E406 PolarHBondContact O-N 3.14Å; S403-E406 WeakPolarHBondContact OG-CB 3.15Å; S403-E406 VanDerWaalsContact OG-CD 3.29Å; S403-E406 WeakPolarHBondContact OG-CG 3.08Å; S403-E406 PolarHBondContact OG-N 3.12Å; S403-E406 PolarHBondContact OG-OE2 3.4Å; S403-M407 PolarHBondContact O-N 3.49Å
404K78.8Confident70.7Confident88 Ų8848.8 Ų48.838%0.38326%0.262SS..Hα-helixtrans-55.4-42.6175.3-73.6-179.1-178.8172.50112.5V358 F362 M407 V408V358-K404 HydrophobicContact CG1-CB 4.25Å; V358-K404 HydrophobicContact CG1-CG 4.32Å; F362-K404 HydrophobicContact CD1-CD 4.18Å; F362-K404 VanDerWaalsContact CD1-CE 3.42Å; F362-K404 HydrophobicContact CD1-CG 3.56Å; F362-K404 HydrophobicContact CD2-CG 3.71Å; F362-K404 HydrophobicContact CE1-CB 4.49Å; F362-K404 HydrophobicContact CE1-CG 3.48Å; F362-K404 VanDerWaalsContact CE1-CG 3.48Å; F362-K404 HydrophobicContact CE2-CB 4.25Å; F362-K404 HydrophobicContact CE2-CG 3.62Å; F362-K404 HydrophobicContact CG-CD 4.22Å; F362-K404 VanDerWaalsContact CG-CE 3.48Å; F362-K404 HydrophobicContact CG-CG 3.66Å; F362-K404 HydrophobicContact CZ-CB 4.15Å; F362-K404 HydrophobicContact CZ-CG 3.51Å; F362-K404 VanDerWaalsContact CZ-N 3.28Å; K404-M407 PolarHBondContact O-N 3.28Å; K404-V408 WeakPolarHBondContact O-CG2 3.17Å; K404-V408 PolarHBondContact O-N 3.49Å
405D72.9Confident70.3Confident134 Ų13449.6 Ų49.672%0.71727%0.266SS*.Hα-helixtrans-70.2-35.2-177.3-72.7-33.5000111.8S403 A409S403-D405 VanDerWaalsContact C-N 3.27Å; S403-D405 PolarHBondContact O-N 3.43Å; D405-A409 WeakPolarHBondContact O-CB 3.5Å; D405-A409 PolarHBondContact O-N 3.27Å
406E75.5Confident69.6Low15 Ų1552.5 Ų52.57%0.0729%0.286CS..Hα-helixtrans-66.9-42.7174.2-75170.8130.100112.4K396 D397 I402 S403 A409 Y410K396-E406 WeakPolarHBondContact CA-OE1 3.29Å; K396-E406 HydrophobicContact CB-CG 4.24Å; K396-E406 VanDerWaalsContact CB-OE1 3.3Å; K396-E406 WeakPolarHBondContact CB-OE1 3.18Å; K396-E406 PolarHBondContact N-OE1 3.22Å; D397-E406 PolarHBondContact N-OE1 3.33Å; I402-E406 HydrophobicContact CG2-CB 4.33Å; S403-E406 WeakPolarHBondContact CB-OE2 3.47Å; S403-E406 PolarHBondContact N-OE2 3.36Å; S403-E406 PolarHBondContact O-N 3.14Å; S403-E406 WeakPolarHBondContact OG-CB 3.15Å; S403-E406 VanDerWaalsContact OG-CD 3.29Å; S403-E406 WeakPolarHBondContact OG-CG 3.08Å; S403-E406 PolarHBondContact OG-N 3.12Å; S403-E406 PolarHBondContact OG-OE2 3.4Å; E406-A409 CarbonylContact O-C 3.58Å; E406-A409 PolarHBondContact O-N 3.46Å; E406-Y410 WeakPolarHBondContact O-CB 3.28Å; E406-Y410 PolarHBondContact O-N 3.27Å
407M74Confident68.6Low0 Ų049.2 Ų49.20%027%0.274CS..Hα-helixtrans-67.2-42.4177.2-166.1176.8-119.300111.6V358 V361 F362 I373 F378 I381 I402 S403 K404 A409 Y410 F411V358-M407 HydrophobicContact CG1-CB 4.21Å; V358-M407 HydrophobicContact CG1-CG 4.5Å; V358-M407 HydrophobicContact CG1-SD 4.35Å; V358-M407 HydrophobicContact CG2-CB 4.2Å; V358-M407 HydrophobicContact CG2-CG 3.92Å; V358-M407 HydrophobicContact CG2-SD 4.25Å; V361-M407 HydrophobicContact CB-SD 4.32Å; V361-M407 HydrophobicContact CG1-CE 4.04Å; V361-M407 HydrophobicContact CG1-SD 3.97Å; F362-M407 HydrophobicContact CD2-SD 4.48Å; F362-M407 HydrophobicContact CE2-CB 4.28Å; F362-M407 HydrophobicContact CE2-SD 3.92Å; I373-M407 HydrophobicContact CD1-CE 3.99Å; I373-M407 HydrophobicContact CD1-SD 4Å; F378-M407 HydrophobicContact CD2-CE 4.12Å; F378-M407 HydrophobicContact CE2-CE 4.03Å; I381-M407 HydrophobicContact CD1-CE 4.4Å; I381-M407 HydrophobicContact CG2-CE 4.32Å; I402-M407 HydrophobicContact CG2-CB 3.96Å; S403-M407 PolarHBondContact O-N 3.49Å; K404-M407 PolarHBondContact O-N 3.28Å; M407-A409 VanDerWaalsContact C-N 3.34Å; M407-A409 PolarHBondContact O-N 3.09Å; M407-Y410 PolarHBondContact O-N 3.46Å; M407-F411 HydrophobicContact CE-CE2 4.27Å; M407-F411 HydrophobicContact CG-CD2 3.85Å; M407-F411 HydrophobicContact CG-CE2 3.58Å; M407-F411 VanDerWaalsContact O-CD2 3.25Å; M407-F411 WeakPolarHBondContact O-CD2 3.27Å; M407-F411 PolarHBondContact O-N 3.47Å; M407-F411 HydrophobicContact SD-CE2 4.08Å
408V72.3Confident67.3Low25 Ų2545.4 Ų45.415%0.15225%0.254CS..Hα-helixtrans-59.7-48172.4168.80000110I354 V358 K404 Y410 F411 L412I354-V408 HydrophobicContact CG2-CG1 4.38Å; V358-V408 HydrophobicContact CB-CG2 3.84Å; V358-V408 HydrophobicContact CG1-CG2 3.95Å; V358-V408 HydrophobicContact CG2-CB 4.45Å; V358-V408 HydrophobicContact CG2-CG2 3.63Å; K404-V408 WeakPolarHBondContact O-CG2 3.17Å; K404-V408 PolarHBondContact O-N 3.49Å; V408-Y410 VanDerWaalsContact C-N 3.27Å; V408-Y410 PolarHBondContact O-N 3.21Å; V408-F411 PolarHBondContact O-N 3.27Å; V408-L412 HydrophobicContact CG1-CD1 3.63Å; V408-L412 HydrophobicContact CG1-CG 4.24Å; V408-L412 WeakPolarHBondContact O-CB 3.36Å; V408-L412 WeakPolarHBondContact O-CG 2.97Å; V408-L412 PolarHBondContact O-N 2.92Å
409A67.8Low66.2Low34 Ų3442.4 Ų42.428%0.28124%0.24SC..Hα-helixtrans-63.1-36.9179.400000111.1D405 E406 M407 R413D405-A409 WeakPolarHBondContact O-CB 3.5Å; D405-A409 PolarHBondContact O-N 3.27Å; E406-A409 CarbonylContact O-C 3.58Å; E406-A409 PolarHBondContact O-N 3.46Å; M407-A409 VanDerWaalsContact C-N 3.34Å; M407-A409 PolarHBondContact O-N 3.09Å; A409-R413 VanDerWaalsContact C-NH1 3.29Å; A409-R413 WeakPolarHBondContact O-CB 3.25Å; A409-R413 WeakPolarHBondContact O-CG 3.37Å; A409-R413 PolarHBondContact O-N 3.28Å; A409-R413 PolarHBondContact O-NH1 3.22Å
410Y70.9Confident64.5Low7 Ų744.6 Ų44.63%0.02726%0.26CS..Hα-helixtrans-62.3-54.2175.4174.9-95000111.7L388 D389 V393 L394 E406 M407 V408 L412 R413 A414L388-Y410 HydrophobicContact CD1-CD1 4.21Å; L388-Y410 HydrophobicContact CD1-CE1 3.39Å; L388-Y410 HydrophobicContact CG-CE1 4.07Å; D389-Y410 HydrophobicContact CB-CE2 3.75Å; D389-Y410 WeakPolarHBondContact CB-OH 3.25Å; D389-Y410 VanDerWaalsContact CG-OH 3.27Å; D389-Y410 PolarHBondContact N-OH 2.8Å; D389-Y410 WeakPolarHBondContact OD2-CE2 3.39Å; D389-Y410 PolarHBondContact OD2-OH 3.01Å; V393-Y410 HydrophobicContact CG1-CE2 4.2Å; L394-Y410 HydrophobicContact CD1-CD1 4.22Å; L394-Y410 HydrophobicContact CD1-CD2 3.58Å; L394-Y410 HydrophobicContact CD1-CE1 4.21Å; L394-Y410 HydrophobicContact CD1-CE2 3.53Å; L394-Y410 HydrophobicContact CD1-CG 3.93Å; L394-Y410 HydrophobicContact CD2-CD1 3.57Å; L394-Y410 HydrophobicContact CD2-CD2 4.1Å; L394-Y410 HydrophobicContact CD2-CE1 4.18Å; L394-Y410 HydrophobicContact CD2-CG 3.54Å; L394-Y410 HydrophobicContact CG-CD1 3.88Å; L394-Y410 HydrophobicContact CG-CD2 3.43Å; L394-Y410 VanDerWaalsContact CG-CD2 3.43Å; L394-Y410 HydrophobicContact CG-CE1 4.37Å; L394-Y410 HydrophobicContact CG-CE2 3.95Å; L394-Y410 HydrophobicContact CG-CG 3.39Å; E406-Y410 WeakPolarHBondContact O-CB 3.28Å; E406-Y410 PolarHBondContact O-N 3.27Å; M407-Y410 PolarHBondContact O-N 3.46Å; V408-Y410 VanDerWaalsContact C-N 3.27Å; V408-Y410 PolarHBondContact O-N 3.21Å; Y410-L412 VanDerWaalsContact C-N 3.27Å; Y410-L412 PolarHBondContact O-N 3.27Å; Y410-R413 CarbonylContact O-C 3.56Å; Y410-R413 WeakPolarHBondContact O-CA 3.46Å; Y410-R413 WeakPolarHBondContact O-CB 3.33Å; Y410-R413 PolarHBondContact O-N 3.39Å; Y410-A414 HydrophobicContact CD1-CB 4.43Å; Y410-A414 HydrophobicContact CE1-CB 3.86Å; Y410-A414 HydrophobicContact CE2-CB 4.41Å; Y410-A414 WeakPolarHBondContact O-CB 3.18Å; Y410-A414 PolarHBondContact O-N 2.72Å
411F66.1Low62.7Low13 Ų1351 Ų516%0.05728%0.277CS..Hα-helixtrans-65.1-31.1-179.7-76-66.4000112.8L295 I354 L357 V358 F385 L388 M407 V408 R413 N415L295-F411 HydrophobicContact CD2-CB 4.49Å; L295-F411 HydrophobicContact CD2-CD1 3.58Å; L295-F411 HydrophobicContact CD2-CE1 3.91Å; L295-F411 HydrophobicContact CD2-CG 4.06Å; I354-F411 HydrophobicContact CB-CB 4.46Å; I354-F411 HydrophobicContact CD1-CB 4.12Å; I354-F411 HydrophobicContact CG1-CB 4.04Å; I354-F411 HydrophobicContact CG2-CB 3.62Å; L357-F411 HydrophobicContact CD2-CD2 4.42Å; L357-F411 HydrophobicContact CD2-CE1 4.28Å; L357-F411 HydrophobicContact CD2-CE2 4.02Å; L357-F411 HydrophobicContact CD2-CZ 3.94Å; V358-F411 HydrophobicContact CG2-CD2 4.17Å; F385-F411 HydrophobicContact CD1-CE1 4.28Å; F385-F411 HydrophobicContact CD2-CZ 4.5Å; F385-F411 HydrophobicContact CE1-CE1 4.39Å; F385-F411 HydrophobicContact CE2-CZ 4.41Å; F385-F411 HydrophobicContact CG-CE1 4.48Å; F385-F411 HydrophobicContact CZ-CZ 4.43Å; L388-F411 HydrophobicContact CD1-CD1 4.44Å; L388-F411 HydrophobicContact CD1-CE1 3.49Å; L388-F411 VanDerWaalsContact CD1-CE1 3.49Å; L388-F411 HydrophobicContact CD1-CZ 3.7Å; M407-F411 HydrophobicContact CE-CE2 4.27Å; M407-F411 HydrophobicContact CG-CD2 3.85Å; M407-F411 HydrophobicContact CG-CE2 3.58Å; M407-F411 VanDerWaalsContact O-CD2 3.25Å; M407-F411 WeakPolarHBondContact O-CD2 3.27Å; M407-F411 PolarHBondContact O-N 3.47Å; M407-F411 HydrophobicContact SD-CE2 4.08Å; V408-F411 PolarHBondContact O-N 3.27Å; F411-R413 VanDerWaalsContact C-N 3.33Å; F411-N415 PolarHBondContact O-N 3.28Å
412L65.5Low60.8Low36 Ų3651.3 Ų51.319%0.18828%0.278CS..Hα-helixtrans-67.9-31.7170.4-68.7171.6000112.2I354 V408 Y410 L418 M422I354-L412 HydrophobicContact CD1-CD2 3.64Å; I354-L412 HydrophobicContact CD1-CG 4.14Å; I354-L412 HydrophobicContact CG2-CG 4.45Å; V408-L412 HydrophobicContact CG1-CD1 3.63Å; V408-L412 HydrophobicContact CG1-CG 4.24Å; V408-L412 WeakPolarHBondContact O-CB 3.36Å; V408-L412 WeakPolarHBondContact O-CG 2.97Å; V408-L412 PolarHBondContact O-N 2.92Å; Y410-L412 VanDerWaalsContact C-N 3.27Å; Y410-L412 PolarHBondContact O-N 3.27Å; L412-L418 HydrophobicContact CB-CD1 4.45Å; L412-L418 HydrophobicContact CD2-CD1 3.54Å; L412-L418 WeakPolarHBondContact O-CB 3.42Å; L412-M422 HydrophobicContact CB-CE 3.97Å; L412-M422 VanDerWaalsContact O-CE 3.23Å; L412-M422 WeakPolarHBondContact O-CE 3.43Å
413R62Low59Low32 Ų3253.4 Ų53.412%0.12130%0.299CS..Hα-helixtrans-78.2-38.9175-74.1-179.5-41.1-110.215.2112.6V393 A409 Y410 F411 N415 Q419 M422 V474V393-R413 PolarHBondContact O-NH2 3.47Å; A409-R413 VanDerWaalsContact C-NH1 3.29Å; A409-R413 WeakPolarHBondContact O-CB 3.25Å; A409-R413 WeakPolarHBondContact O-CG 3.37Å; A409-R413 PolarHBondContact O-N 3.28Å; A409-R413 PolarHBondContact O-NH1 3.22Å; Y410-R413 CarbonylContact O-C 3.56Å; Y410-R413 WeakPolarHBondContact O-CA 3.46Å; Y410-R413 WeakPolarHBondContact O-CB 3.33Å; Y410-R413 PolarHBondContact O-N 3.39Å; F411-R413 VanDerWaalsContact C-N 3.33Å; R413-N415 VanDerWaalsContact C-N 3.31Å; R413-N415 PolarHBondContact O-N 2.74Å; R413-Q419 VanDerWaalsContact O-CG 3.3Å; R413-Q419 WeakPolarHBondContact O-CG 3.31Å; R413-Q419 PolarHBondContact O-NE2 3.34Å; R413-M422 HydrophobicContact CG-CE 4.27Å; R413-V474 HydrophobicContact CB-CG1 4.44Å
414A54Low57Low39 Ų3958.1 Ų58.132%0.32233%0.329SS..Hα-helixtrans-75.4-19-175.800000112.8Y410 P416Y410-A414 HydrophobicContact CD1-CB 4.43Å; Y410-A414 HydrophobicContact CE1-CB 3.86Å; Y410-A414 HydrophobicContact CE2-CB 4.41Å; Y410-A414 WeakPolarHBondContact O-CB 3.18Å; Y410-A414 PolarHBondContact O-N 2.72Å; A414-P416 WeakPolarHBondContact O-CD 3.37Å
415N56Low55.3Low17 Ų1755.7 Ų55.79%0.09133%0.33CS..SBendtrans-80.7110173.1-165.2-47.8000110.2V350 F411 R413 L417 L418 Q419V350-N415 WeakPolarHBondContact CG1-ND2 3.15Å; F411-N415 PolarHBondContact O-N 3.28Å; R413-N415 VanDerWaalsContact C-N 3.31Å; R413-N415 PolarHBondContact O-N 2.74Å; N415-L417 PolarHBondContact O-N 2.96Å; N415-L417 WeakPolarHBondContact OD1-CB 3.35Å; N415-L417 PolarHBondContact OD1-N 3.02Å; N415-L418 HydrophobicContact CB-CB 4.48Å; N415-L418 HydrophobicContact CB-CD1 4.1Å; N415-L418 HydrophobicContact CB-CG 4.25Å; N415-L418 PolarHBondContact O-N 3.41Å; N415-Q419 PolarHBondContact O-N 2.91Å
416P51.6Low54.1Low75 Ų7554 Ų5449%0.48732%0.316SS..Hα-helixtrans-58.9-25.7-174.4-23.234.8000113.3A414 L418 Q419A414-P416 WeakPolarHBondContact O-CD 3.37Å; P416-L418 VanDerWaalsContact C-N 3.31Å; P416-L418 PolarHBondContact O-N 3.37Å; P416-Q419 PolarHBondContact O-N 3.21Å
417L45.7Very low53.2Low66 Ų6659.2 Ų59.235%0.34634%0.343SS..Hα-helixtrans-73.9-22.3-179.4-60.2167.3000113.1P345 N415P345-L417 HydrophobicContact CG-CD1 3.17Å; N415-L417 PolarHBondContact O-N 2.96Å; N415-L417 WeakPolarHBondContact OD1-CB 3.35Å; N415-L417 PolarHBondContact OD1-N 3.02Å
418L44.9Very low53Low20 Ų2060.2 Ų60.211%0.10535%0.348CS..Hα-helixtrans-91.8-21.8177.8-64.2179.3000112.5P347 V350 I354 L412 N415 P416 C420 K421 M422P347-L418 HydrophobicContact CB-CD2 3.65Å; P347-L418 HydrophobicContact CG-CD2 4.37Å; V350-L418 HydrophobicContact CG1-CD1 3.94Å; I354-L418 HydrophobicContact CD1-CD1 4.13Å; L412-L418 HydrophobicContact CB-CD1 4.45Å; L412-L418 HydrophobicContact CD2-CD1 3.54Å; L412-L418 WeakPolarHBondContact O-CB 3.42Å; N415-L418 HydrophobicContact CB-CB 4.48Å; N415-L418 HydrophobicContact CB-CD1 4.1Å; N415-L418 HydrophobicContact CB-CG 4.25Å; N415-L418 PolarHBondContact O-N 3.41Å; P416-L418 VanDerWaalsContact C-N 3.31Å; P416-L418 PolarHBondContact O-N 3.37Å; L418-C420 VanDerWaalsContact C-N 3.28Å; L418-C420 PolarHBondContact O-N 3.13Å; L418-K421 PolarHBondContact O-N 3Å; L418-M422 PolarHBondContact O-N 3.11Å
419Q46.5Very low53.4Low103 Ų10363.1 Ų63.148%0.48136%0.362SS..Hα-helixtrans-60.2-35.6176.4-71.7179.7-4.300112.6R413 N415 P416 K421 M422R413-Q419 VanDerWaalsContact O-CG 3.3Å; R413-Q419 WeakPolarHBondContact O-CG 3.31Å; R413-Q419 PolarHBondContact O-NE2 3.34Å; N415-Q419 PolarHBondContact O-N 2.91Å; P416-Q419 PolarHBondContact O-N 3.21Å; Q419-K421 PolarHBondContact O-N 2.92Å; Q419-K421 VanDerWaalsContact O-N 3.11Å; Q419-M422 PolarHBondContact O-N 3.22Å
420C38.2Very low54.2Low121 Ų12162.9 Ų62.982%0.81836%0.355SS*.THydrogen-bonded Turntrans-66.7-11.6179.7-68.60000114.5L418L418-C420 VanDerWaalsContact C-N 3.28Å; L418-C420 PolarHBondContact O-N 3.13Å
421K35.6Very low55Low170 Ų17067 Ų6774%0.73937%0.374SS*.THydrogen-bonded Turntrans-117.21.7179.3-78.9-171.3175.3-177.70114.1L418 Q419 G423L418-K421 PolarHBondContact O-N 3Å; Q419-K421 PolarHBondContact O-N 2.92Å; Q419-K421 VanDerWaalsContact O-N 3.11Å; K421-G423 PolarHBondContact O-N 3.22Å
422M38.4Very low56.2Low61 Ų6170.4 Ų70.430%0.339%0.391SS..SBendtrans-67.1121.2174.1-66.5-87.9-179.200108.1L412 R413 L418 Q419 F426L412-M422 HydrophobicContact CB-CE 3.97Å; L412-M422 VanDerWaalsContact O-CE 3.23Å; L412-M422 WeakPolarHBondContact O-CE 3.43Å; R413-M422 HydrophobicContact CG-CE 4.27Å; L418-M422 PolarHBondContact O-N 3.11Å; Q419-M422 PolarHBondContact O-N 3.22Å; M422-F426 HydrophobicContact CB-CD2 4.19Å
423G41Very low57.2Low43 Ų4372.6 Ų72.644%0.44340%0.401SS..  trans-57.6177.5-17300000115.2K421 G425 F426K421-G423 PolarHBondContact O-N 3.22Å; G423-G425 PolarHBondContact O-N 3.37Å; G423-F426 PolarHBondContact O-N 3.18Å
424P39.1Very low58.5Low121 Ų12173.4 Ų73.479%0.78641%0.41SS*.G310 helixtrans-58.4-6.6-166.618.7-30.8000117.2F426P424-F426 PolarHBondContact O-N 3.47Å
425G43.4Very low60.1Low38 Ų3872.9 Ų72.939%0.39240%0.399SS..G310 helixtrans-78.2-6.3178.400000116.2G423 C477G423-G425 PolarHBondContact O-N 3.37Å; G425-C477 PolarHBondContact O-N 3.26Å
426F47.3Very low61.5Low97 Ų9780.2 Ų80.243%0.42544%0.438SS..G310 helixtrans-111.8-2.3178.8-67.6-88.7000113.5M422 G423 P424 H428 A476M422-F426 HydrophobicContact CB-CD2 4.19Å; G423-F426 PolarHBondContact O-N 3.18Å; P424-F426 PolarHBondContact O-N 3.47Å; F426-H428 PolarHBondContact O-CD2 3Å; F426-A476 HydrophobicContact CD1-CB 3.92Å; F426-A476 HydrophobicContact CE1-CB 3.7Å; F426-A476 HydrophobicContact CZ-CB 4.26Å
427I57.8Low63.1Low126 Ų12684.6 Ų84.665%0.64645%0.449SS*.  trans-88.1118177.6-57.6175.6000108.6C477I427-C477 WeakPolarHBondContact O-CB 3.35Å
428H68.2Low65Low21 Ų2186.4 Ų86.410%0.09747%0.465CS..  trans-98.1131.1176.6-71.5-98.2000111.2F426 F430 C458 C461 L475 C477F426-H428 PolarHBondContact O-CD2 3Å; H428-F430 HydrophobicContact CB-CD2 3.58Å; H428-F430 HydrophobicContact CB-CE1 4.37Å; H428-F430 HydrophobicContact CB-CE2 3.24Å; H428-F430 HydrophobicContact CB-CG 4.31Å; H428-F430 HydrophobicContact CB-CZ 3.67Å; H428-F430 AromaticContact CG-CE2 3.91Å; H428-F430 AromaticContact CG-CZ 3.97Å; H428-F430 PolarHBondContact O-N 3.34Å; H428-F430 VanDerWaalsContact O-N 3.08Å; H428-C458 HydrophobicContact CB-CB 4.14Å; H428-C458 PolarHBondContact ND1-SG 3.42Å; H428-C458 VanDerWaalsContact ND1-SG 3.39Å; H428-C461 PolarHBondContact CE1-SG 2.88Å; H428-C461 PolarHBondContact ND1-SG 3.5Å; H428-L475 PolarHBondContact NE2-O 3.35Å; H428-C477 VanDerWaalsContact CE1-CA 3.43Å; H428-C477 WeakPolarHBondContact CE1-CA 3.49Å; H428-C477 PolarHBondContact ND1-SG 3.2Å; H428-C477 VanDerWaalsContact ND1-SG 3.42Å; H428-C477 PolarHBondContact NE2-N 3.43Å
429N80.5Confident66.9Low85 Ų8586.7 Ų86.746%0.45547%0.468SS..  trans-83.980173.7-169.80.9000111C458 K459 D460N429-C458 WeakPolarHBondContact O-CA 3.26Å; N429-K459 PolarHBondContact O-N 2.92Å; N429-D460 VanDerWaalsContact CB-OD2 3.22Å; N429-D460 WeakPolarHBondContact CB-OD2 3.42Å
430F86.2Confident68.6Low30 Ų3087.2 Ų87.213%0.13247%0.469CS..EExtended strand (participates in β ladder)trans-75.2134-177.1-77.6-66.9000113.6H428 Y456 C458 V463 C465 R470 L473H428-F430 HydrophobicContact CB-CD2 3.58Å; H428-F430 HydrophobicContact CB-CE1 4.37Å; H428-F430 HydrophobicContact CB-CE2 3.24Å; H428-F430 HydrophobicContact CB-CG 4.31Å; H428-F430 HydrophobicContact CB-CZ 3.67Å; H428-F430 AromaticContact CG-CE2 3.91Å; H428-F430 AromaticContact CG-CZ 3.97Å; H428-F430 PolarHBondContact O-N 3.34Å; H428-F430 VanDerWaalsContact O-N 3.08Å; F430-Y456 HydrophobicContact CB-CD1 4.17Å; F430-C458 HydrophobicContact CD1-CB 3.94Å; F430-C458 HydrophobicContact CE1-CB 3.77Å; F430-C458 HydrophobicContact CZ-CB 4.39Å; F430-V463 HydrophobicContact CE1-CG1 3.67Å; F430-V463 HydrophobicContact CZ-CG1 3.75Å; F430-C465 WeakPolarHBondContact CE1-SG 3.3Å; F430-C465 VanDerWaalsContact CZ-SG 3.58Å; F430-R470 HydrophobicContact CB-CG 4.42Å; F430-R470 HydrophobicContact CD2-CG 3.73Å; F430-R470 HydrophobicContact CE2-CG 4.23Å; F430-R470 HydrophobicContact CG-CG 4.2Å; F430-L473 HydrophobicContact CZ-CB 4.42Å; F430-L473 HydrophobicContact CZ-CD1 4.12Å; F430-L473 HydrophobicContact CZ-CD2 4Å; F430-L473 HydrophobicContact CZ-CG 4.4Å
431Q87.3Confident70.7Confident92 Ų9281.6 Ų81.643%0.4343%0.43SS..EExtended strand (participates in β ladder)trans-121.9139.6169.8-67.6-161-3900111.7M433 Y456 K457 K459Q431-M433 PolarHBondContact O-N 3.46Å; Q431-Y456 CarbonylContact O-C 3.57Å; Q431-Y456 VanDerWaalsContact O-CA 3.3Å; Q431-Y456 WeakPolarHBondContact O-CA 3.49Å; Q431-K457 PolarHBondContact N-O 3.43Å; Q431-K457 PolarHBondContact O-N 2.88Å; Q431-K459 VanDerWaalsContact CD-NZ 3.32Å; Q431-K459 HydrophobicContact CG-CD 3.71Å; Q431-K459 HydrophobicContact CG-CG 3.82Å; Q431-K459 VanDerWaalsContact NE2-CE 3.29Å
432E91.1Very high72.7Confident86 Ų8679.3 Ų79.340%0.40242%0.422SS..EExtended strand (participates in β ladder)trans-63.2127.4175.3-165.1176.3-140.600109.6K453 Y456E432-K453 HydrophobicContact CG-CB 3.98Å; E432-K453 HydrophobicContact CG-CD 4.3Å; E432-K453 HydrophobicContact CG-CG 4.07Å; E432-K453 WeakPolarHBondContact OE2-CD 3.26Å; E432-K453 VanDerWaalsContact OE2-CE 3.31Å; E432-K453 WeakPolarHBondContact OE2-CE 3.41Å; E432-K453 IonicContact OE2-NZ 2.74Å; E432-K453 PolarHBondContact OE2-NZ 2.62Å; E432-Y456 HydrophobicContact CB-CD1 4.26Å; E432-Y456 HydrophobicContact CB-CE1 3.92Å; E432-Y456 HydrophobicContact CG-CE1 4.45Å
433M87.4Confident74.2Confident82 Ų8280.1 Ų80.140%0.40443%0.425SS..EExtended strand (participates in β ladder)trans-129.1140.1-171.8-166.269.4-94.600111.2Q431 Y435 K453 Q454 G455 K457Q431-M433 PolarHBondContact O-N 3.46Å; M433-Y435 HydrophobicContact CB-CE1 4.49Å; M433-Y435 HydrophobicContact CB-CE2 3.97Å; M433-Y435 HydrophobicContact CG-CE1 4.19Å; M433-Y435 HydrophobicContact CG-CE2 4.39Å; M433-K453 CarbonylContact O-C 3.48Å; M433-K453 WeakPolarHBondContact O-CA 3.48Å; M433-Q454 PolarHBondContact O-N 3.33Å; M433-G455 PolarHBondContact N-O 3.1Å; M433-K457 HydrophobicContact CB-CB 4.03Å; M433-K457 HydrophobicContact CG-CB 4.37Å
434T89Confident75.2Confident49 Ų4981.1 Ų81.130%0.30143%0.425SS..  trans-96.1116.6167.9-62.20000109I452 K453 Q454T434-I452 HydrophobicContact CG2-CB 4.15Å; T434-I452 HydrophobicContact CG2-CG2 4.07Å; T434-K453 PolarHBondContact OG1-N 2.94Å; T434-Q454 VanDerWaalsContact CA-OE1 3.26Å
435Y87.3Confident76.7Confident27 Ų2779.2 Ų79.211%0.10642%0.419CS..  trans-91.7122.6179.3-60.8-87.2000109.5M433 K437 T439 L448 Q454 Y456 K457 N464M433-Y435 HydrophobicContact CB-CE1 4.49Å; M433-Y435 HydrophobicContact CB-CE2 3.97Å; M433-Y435 HydrophobicContact CG-CE1 4.19Å; M433-Y435 HydrophobicContact CG-CE2 4.39Å; Y435-K437 VanDerWaalsContact C-N 3.26Å; Y435-T439 HydrophobicContact CD1-CG2 3.75Å; Y435-T439 WeakPolarHBondContact CD1-OG1 3.36Å; Y435-T439 HydrophobicContact CE1-CG2 3.79Å; Y435-T439 HydrophobicContact CG-CG2 4.27Å; Y435-L448 HydrophobicContact CD2-CD1 3.83Å; Y435-L448 HydrophobicContact CE2-CD1 3.43Å; Y435-L448 VanDerWaalsContact CE2-CD1 3.43Å; Y435-Q454 HydrophobicContact CD2-CB 4.24Å; Y435-Q454 PolarHBondContact O-NE2 2.91Å; Y435-Q454 VanDerWaalsContact O-NE2 3.14Å; Y435-Y456 PolarHBondContact OH-O 3.29Å; Y435-K457 WeakPolarHBondContact OH-CB 3.44Å; Y435-N464 HydrophobicContact CE1-CB 4.32Å; Y435-N464 WeakPolarHBondContact CE1-OD1 3.39Å; Y435-N464 VanDerWaalsContact OH-CB 3.32Å; Y435-N464 WeakPolarHBondContact OH-CB 3Å; Y435-N464 PolarHBondContact OH-OD1 3.2Å
436L85.4Confident77.6Confident172 Ų17278.6 Ų78.690%0.90141%0.413SS*.SBendtrans-83.6-5.3176.1-61.7173.5000112.6
437K84.3Confident79.3Confident166 Ų16677.2 Ų77.272%0.72241%0.407SS*.SBendtrans-128.3149.5178.6-63.4-176.3-178.1-1800109.5Y435 T439Y435-K437 VanDerWaalsContact C-N 3.26Å; K437-T439 PolarHBondContact O-N 2.93Å; K437-T439 VanDerWaalsContact O-N 3.09Å; K437-T439 PolarHBondContact O-OG1 3.09Å
438P86.2Confident80.6Confident105 Ų10571.4 Ų71.468%0.68238%0.377SS*.  trans-47.4117.3169.5-2937000110.8F447P438-F447 HydrophobicContact CB-CE2 3.58Å; P438-F447 HydrophobicContact CB-CZ 4.03Å
439T84.6Confident81Confident26 Ų2680.5 Ų80.516%0.1641%0.411CS..  trans-132.9144.5-175.6-53.80000109.4Y435 K437 L448 N464Y435-T439 HydrophobicContact CD1-CG2 3.75Å; Y435-T439 WeakPolarHBondContact CD1-OG1 3.36Å; Y435-T439 HydrophobicContact CE1-CG2 3.79Å; Y435-T439 HydrophobicContact CG-CG2 4.27Å; K437-T439 PolarHBondContact O-N 2.93Å; K437-T439 VanDerWaalsContact O-N 3.09Å; K437-T439 PolarHBondContact O-OG1 3.09Å; T439-L448 HydrophobicContact CG2-CD1 3.97Å; T439-L448 WeakPolarHBondContact O-CB 3.45Å; T439-L448 WeakPolarHBondContact O-CG 3.49Å; T439-L448 PolarHBondContact O-N 3.48Å; T439-N464 HydrophobicContact CG2-CB 4.11Å
440F83.6Confident80.7Confident114 Ų11478.8 Ų78.850%0.541%0.413SS..BIsolated β-bridgetrans-113.5153.8-176.1-61.4-96.2000110.7G446 F447F440-G446 CarbonylContact C-O 3.53Å; F440-G446 WeakPolarHBondContact CA-O 3.22Å; F440-F447 HydrophobicContact CD1-CB 4.08Å; F440-F447 HydrophobicContact CD1-CD2 4.02Å; F440-F447 HydrophobicContact CE1-CB 3.94Å; F440-F447 AromaticContact CE1-CD2 3.64Å; F440-F447 HydrophobicContact CE1-CD2 3.64Å; F440-F447 HydrophobicContact CE1-CG 4.27Å; F440-F447 HydrophobicContact CE2-CD2 4.2Å; F440-F447 HydrophobicContact CG-CD2 4.45Å; F440-F447 AromaticContact CZ-CD2 3.73Å; F440-F447 HydrophobicContact CZ-CD2 3.73Å; F440-F447 HydrophobicContact CZ-CE2 4.36Å
441C82.2Confident80.1Confident2 Ų285 Ų851%0.01445%0.446CS..  trans-79.5127.5176.2176.80000110.1H443 C444 A445 G446 L448 C465 H466C441-H443 PolarHBondContact O-N 3.43Å; C441-C444 VanDerWaalsContact CB-SG 3.6Å; C441-A445 WeakPolarHBondContact O-CA 3.39Å; C441-A445 PolarHBondContact O-N 2.89Å; C441-G446 WeakPolarHBondContact CB-O 3.49Å; C441-G446 PolarHBondContact N-O 3.42Å; C441-L448 HydrophobicContact CB-CD2 3.92Å; C441-C465 VanDerWaalsContact SG-CA 3.55Å; C441-H466 WeakPolarHBondContact CB-CE1 3.26Å; C441-H466 WeakPolarHBondContact CB-ND1 3.23Å; C441-H466 PolarHBondContact SG-N 2.91Å; C441-H466 VanDerWaalsContact SG-N 3.38Å; C441-H466 PolarHBondContact SG-ND1 3.06Å; C441-H466 VanDerWaalsContact SG-ND1 3.37Å
442E77.1Confident79.9Confident123 Ų12386.2 Ų86.258%0.57545%0.454SS*.THydrogen-bonded Turntrans-70-21.3-179.2-15170.4-146.300113.1V463 N464E442-V463 HydrophobicContact CB-CG2 3.38Å; E442-V463 HydrophobicContact CG-CG2 3.61Å; E442-N464 PolarHBondContact N-O 3.09Å
443H68.9Low79.6Confident77 Ų7787.8 Ų87.836%0.35646%0.46SS..THydrogen-bonded Turntrans-82.8-43.4-179.3170.3-82.9000112.9C441 C469 L472 L473C441-H443 PolarHBondContact O-N 3.43Å; H443-C469 HydrophobicContact CB-CB 3.8Å; H443-L472 PolarHBondContact CD2-O 2.9Å; H443-L472 WeakPolarHBondContact NE2-CB 3.46Å; H443-L472 PolarHBondContact NE2-O 2.9Å; H443-L473 HydrophobicContact CB-CD1 4.08Å
444C62.3Low79.5Confident64 Ų6485 Ų8543%0.43245%0.445SS..THydrogen-bonded Turntrans-113.23.3-17666.90000113.8C441 G446 H466C441-C444 VanDerWaalsContact CB-SG 3.6Å; C444-G446 PolarHBondContact O-N 3.35Å; C444-G446 PolarHBondContact SG-N 2.87Å; C444-H466 PolarHBondContact SG-CE1 3.43Å; C444-H466 PolarHBondContact SG-ND1 3.45Å
445A70.3Confident79.5Confident81 Ų8182.7 Ų82.767%0.66943%0.432SS*.  trans54.95.3-17100000115.2C441C441-A445 WeakPolarHBondContact O-CA 3.39Å; C441-A445 PolarHBondContact O-N 2.89Å
446G62.8Low79.7Confident25 Ų2582.8 Ų82.826%0.25843%0.432SS..  trans-80153.2-176.400000113.2F440 C441 C444F440-G446 CarbonylContact C-O 3.53Å; F440-G446 WeakPolarHBondContact CA-O 3.22Å; C441-G446 WeakPolarHBondContact CB-O 3.49Å; C441-G446 PolarHBondContact N-O 3.42Å; C444-G446 PolarHBondContact O-N 3.35Å; C444-G446 PolarHBondContact SG-N 2.87Å
447F82.6Confident79.9Confident68 Ų6878.9 Ų78.930%0.29841%0.408SS..BIsolated β-bridgetrans-65.9138.5178.9-170-111.8000112.6P438 F440 W449 H466P438-F447 HydrophobicContact CB-CE2 3.58Å; P438-F447 HydrophobicContact CB-CZ 4.03Å; F440-F447 HydrophobicContact CD1-CB 4.08Å; F440-F447 HydrophobicContact CD1-CD2 4.02Å; F440-F447 HydrophobicContact CE1-CB 3.94Å; F440-F447 AromaticContact CE1-CD2 3.64Å; F440-F447 HydrophobicContact CE1-CD2 3.64Å; F440-F447 HydrophobicContact CE1-CG 4.27Å; F440-F447 HydrophobicContact CE2-CD2 4.2Å; F440-F447 HydrophobicContact CG-CD2 4.45Å; F440-F447 AromaticContact CZ-CD2 3.73Å; F440-F447 HydrophobicContact CZ-CD2 3.73Å; F440-F447 HydrophobicContact CZ-CE2 4.36Å; F447-W449 AromaticContact CD1-CD2 3.98Å; F447-W449 HydrophobicContact CD1-CD2 3.98Å; F447-W449 AromaticContact CD1-CE2 3.95Å; F447-W449 HydrophobicContact CD1-CG 4.08Å; F447-W449 HydrophobicContact CD1-CZ2 4.49Å; F447-W449 VanDerWaalsContact O-CD1 3.3Å; F447-W449 PolarHBondContact O-N 3.21Å; F447-H466 PolarHBondContact O-NE2 2.94Å
448L85.8Confident80.1Confident5 Ų571 Ų713%0.02637%0.374CS..  trans-80.896.2173.7-62.1-178.8000109.7Y435 T439 C441 Q454 N464 H466Y435-L448 HydrophobicContact CD2-CD1 3.83Å; Y435-L448 HydrophobicContact CE2-CD1 3.43Å; Y435-L448 VanDerWaalsContact CE2-CD1 3.43Å; T439-L448 HydrophobicContact CG2-CD1 3.97Å; T439-L448 WeakPolarHBondContact O-CB 3.45Å; T439-L448 WeakPolarHBondContact O-CG 3.49Å; T439-L448 PolarHBondContact O-N 3.48Å; C441-L448 HydrophobicContact CB-CD2 3.92Å; L448-Q454 HydrophobicContact CB-CB 3.91Å; L448-N464 HydrophobicContact CD1-CB 4.36Å; L448-H466 HydrophobicContact CD2-CB 4.46Å; L448-H466 WeakPolarHBondContact CD2-CD2 3.33Å
449W76.8Confident79.9Confident212 Ų21271.9 Ų71.980%0.80337%0.367SS*.  trans-75.5138.4-176.9-75.291.3000113.2F447F447-W449 AromaticContact CD1-CD2 3.98Å; F447-W449 HydrophobicContact CD1-CD2 3.98Å; F447-W449 AromaticContact CD1-CE2 3.95Å; F447-W449 HydrophobicContact CD1-CG 4.08Å; F447-W449 HydrophobicContact CD1-CZ2 4.49Å; F447-W449 VanDerWaalsContact O-CD1 3.3Å; F447-W449 PolarHBondContact O-N 3.21Å
450G74.6Confident79.6Confident49 Ų4972.9 Ų72.951%0.50537%0.372SS..SBendtrans136.9166.9170.800000114.4Q454G450-Q454 VanDerWaalsContact C-CG 3.45Å; G450-Q454 WeakPolarHBondContact O-CG 3.37Å; G450-Q454 PolarHBondContact O-NE2 3.36Å
451I73.3Confident79.3Confident161 Ų16168.8 Ų68.883%0.82636%0.357SS*.SBendtrans-88-34.1178.3-56.6174.4000111.2Q454I451-Q454 VanDerWaalsContact C-NE2 3.29Å; I451-Q454 PolarHBondContact O-NE2 2.9Å; I451-Q454 VanDerWaalsContact O-NE2 3.08Å
452I82.8Confident79.3Confident117 Ų11770.1 Ų70.160%0.637%0.37SS*.SBendtrans-141.4155.9176.458.2174.6000109.6T434 Q454T434-I452 HydrophobicContact CG2-CB 4.15Å; T434-I452 HydrophobicContact CG2-CG2 4.07Å; I452-Q454 VanDerWaalsContact C-N 3.27Å; I452-Q454 PolarHBondContact O-N 3.12Å
453K84.1Confident79.6Confident118 Ų11864.7 Ų64.751%0.51335%0.346SS..  trans51.343.8177.4-62.1177.9163.7-144.60113.2E432 M433 T434 G455E432-K453 HydrophobicContact CG-CB 3.98Å; E432-K453 HydrophobicContact CG-CD 4.3Å; E432-K453 HydrophobicContact CG-CG 4.07Å; E432-K453 WeakPolarHBondContact OE2-CD 3.26Å; E432-K453 VanDerWaalsContact OE2-CE 3.31Å; E432-K453 WeakPolarHBondContact OE2-CE 3.41Å; E432-K453 IonicContact OE2-NZ 2.74Å; E432-K453 PolarHBondContact OE2-NZ 2.62Å; M433-K453 CarbonylContact O-C 3.48Å; M433-K453 WeakPolarHBondContact O-CA 3.48Å; T434-K453 PolarHBondContact OG1-N 2.94Å; K453-G455 PolarHBondContact O-N 3.2Å
454Q85.6Confident80.6Confident23 Ų2362.3 Ų62.311%0.10734%0.336CS..  trans-68.7-18.7-173-56.891.4-24.300113.4M433 T434 Y435 L448 G450 I451 I452M433-Q454 PolarHBondContact O-N 3.33Å; T434-Q454 VanDerWaalsContact CA-OE1 3.26Å; Y435-Q454 HydrophobicContact CD2-CB 4.24Å; Y435-Q454 PolarHBondContact O-NE2 2.91Å; Y435-Q454 VanDerWaalsContact O-NE2 3.14Å; L448-Q454 HydrophobicContact CB-CB 3.91Å; G450-Q454 VanDerWaalsContact C-CG 3.45Å; G450-Q454 WeakPolarHBondContact O-CG 3.37Å; G450-Q454 PolarHBondContact O-NE2 3.36Å; I451-Q454 VanDerWaalsContact C-NE2 3.29Å; I451-Q454 PolarHBondContact O-NE2 2.9Å; I451-Q454 VanDerWaalsContact O-NE2 3.08Å; I452-Q454 VanDerWaalsContact C-N 3.27Å; I452-Q454 PolarHBondContact O-N 3.12Å
455G89.7Confident81.8Confident2 Ų259.3 Ų59.32%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-172.9-167.3177.900000113.2M433 K453 C465M433-G455 PolarHBondContact N-O 3.1Å; K453-G455 PolarHBondContact O-N 3.2Å; G455-C465 CarbonylContact C-O 3.58Å; G455-C465 WeakPolarHBondContact CA-O 3.46Å
456Y91.7Very high82.4Confident29 Ų2957.1 Ų57.111%0.11429%0.291CS..EExtended strand (participates in β ladder)trans-111.2146.5179.2-71.5-101.1000110.1F430 Q431 E432 Y435 N464 C465 K467F430-Y456 HydrophobicContact CB-CD1 4.17Å; Q431-Y456 CarbonylContact O-C 3.57Å; Q431-Y456 VanDerWaalsContact O-CA 3.3Å; Q431-Y456 WeakPolarHBondContact O-CA 3.49Å; E432-Y456 HydrophobicContact CB-CD1 4.26Å; E432-Y456 HydrophobicContact CB-CE1 3.92Å; E432-Y456 HydrophobicContact CG-CE1 4.45Å; Y435-Y456 PolarHBondContact OH-O 3.29Å; Y456-N464 CarbonylContact O-C 3.59Å; Y456-N464 VanDerWaalsContact O-CA 3.29Å; Y456-N464 WeakPolarHBondContact O-CA 2.91Å; Y456-C465 PolarHBondContact N-O 2.93Å; Y456-C465 PolarHBondContact O-N 3.45Å; Y456-K467 HydrophobicContact CD2-CB 4.18Å; Y456-K467 HydrophobicContact CE2-CB 3.62Å; Y456-K467 HydrophobicContact CE2-CD 4.21Å; Y456-K467 HydrophobicContact CE2-CG 3.62Å
457K89.9Confident83.4Confident89 Ų8962.4 Ų62.439%0.38731%0.307SS..EExtended strand (participates in β ladder)trans-125129.2174.4-172.8166.7-175.6174.30110.2Q431 M433 Y435 G462 V463 N464Q431-K457 PolarHBondContact N-O 3.43Å; Q431-K457 PolarHBondContact O-N 2.88Å; M433-K457 HydrophobicContact CB-CB 4.03Å; M433-K457 HydrophobicContact CG-CB 4.37Å; Y435-K457 WeakPolarHBondContact OH-CB 3.44Å; K457-G462 WeakPolarHBondContact CE-O 3.42Å; K457-V463 CarbonylContact C-O 3.56Å; K457-V463 WeakPolarHBondContact CA-O 3.49Å; K457-N464 WeakPolarHBondContact CD-OD1 3.42Å; K457-N464 WeakPolarHBondContact CG-OD1 3.25Å
458C86.9Confident82.8Confident1 Ų165.9 Ų65.91%0.00732%0.324CS..EExtended strand (participates in β ladder)trans-71.9131.1174.2-178.10000110.5H428 N429 F430 D460 G462 V463H428-C458 HydrophobicContact CB-CB 4.14Å; H428-C458 PolarHBondContact ND1-SG 3.42Å; H428-C458 VanDerWaalsContact ND1-SG 3.39Å; N429-C458 WeakPolarHBondContact O-CA 3.26Å; F430-C458 HydrophobicContact CD1-CB 3.94Å; F430-C458 HydrophobicContact CE1-CB 3.77Å; F430-C458 HydrophobicContact CZ-CB 4.39Å; C458-D460 VanDerWaalsContact C-N 3.31Å; C458-D460 PolarHBondContact O-N 3.31Å; C458-G462 WeakPolarHBondContact O-CA 3.37Å; C458-G462 PolarHBondContact O-N 2.94Å; C458-V463 HydrophobicContact CB-CG1 3.76Å; C458-V463 PolarHBondContact N-O 3.17Å
459K83.6Confident82.1Confident123 Ų12366.3 Ų66.354%0.53533%0.328SS..THydrogen-bonded Turntrans-67.7-31.1178.5-72.7179118.2165.50113.5N429 Q431N429-K459 PolarHBondContact O-N 2.92Å; Q431-K459 VanDerWaalsContact CD-NZ 3.32Å; Q431-K459 HydrophobicContact CG-CD 3.71Å; Q431-K459 HydrophobicContact CG-CG 3.82Å; Q431-K459 VanDerWaalsContact NE2-CE 3.29Å
460D76.9Confident81.8Confident48 Ų4860.9 Ų60.926%0.25731%0.307SS..THydrogen-bonded Turntrans-88.4-47.1-170.1-64.8-61.5000112.1N429 C458 C477 K479 L480N429-D460 VanDerWaalsContact CB-OD2 3.22Å; N429-D460 WeakPolarHBondContact CB-OD2 3.42Å; C458-D460 VanDerWaalsContact C-N 3.31Å; C458-D460 PolarHBondContact O-N 3.31Å; D460-C477 VanDerWaalsContact CB-SG 3.57Å; D460-K479 HydrophobicContact CB-CG 3.93Å; D460-K479 WeakPolarHBondContact O-CA 3.2Å; D460-K479 WeakPolarHBondContact OD1-CE 3.48Å; D460-L480 PolarHBondContact O-N 3.02Å
461C77.6Confident81Confident28 Ų2865.6 Ų65.619%0.18932%0.316CS..THydrogen-bonded Turntrans-108-11.2-178.871.30000114.5H428 V463 R478H428-C461 PolarHBondContact CE1-SG 2.88Å; H428-C461 PolarHBondContact ND1-SG 3.5Å; C461-V463 VanDerWaalsContact C-N 3.32Å; C461-V463 PolarHBondContact O-N 3.28Å; C461-V463 VanDerWaalsContact SG-CG1 3.57Å; C461-R478 WeakPolarHBondContact CA-O 3.42Å; C461-R478 WeakPolarHBondContact CB-O 3.29Å
462G82.5Confident80.1Confident29 Ų2963 Ų6330%0.29930%0.303SS..  trans78.55.2178.400000116.2K457 C458 N464K457-G462 WeakPolarHBondContact CE-O 3.42Å; C458-G462 WeakPolarHBondContact O-CA 3.37Å; C458-G462 PolarHBondContact O-N 2.94Å; G462-N464 PolarHBondContact O-OD1 3.04Å
463V83.6Confident78.5Confident9 Ų958.3 Ų58.36%0.05528%0.279CS..  trans-63.9141.9178.877.80000111.6F430 E442 K457 C458 C461 L473 L475F430-V463 HydrophobicContact CE1-CG1 3.67Å; F430-V463 HydrophobicContact CZ-CG1 3.75Å; E442-V463 HydrophobicContact CB-CG2 3.38Å; E442-V463 HydrophobicContact CG-CG2 3.61Å; K457-V463 CarbonylContact C-O 3.56Å; K457-V463 WeakPolarHBondContact CA-O 3.49Å; C458-V463 HydrophobicContact CB-CG1 3.76Å; C458-V463 PolarHBondContact N-O 3.17Å; C461-V463 VanDerWaalsContact C-N 3.32Å; C461-V463 PolarHBondContact O-N 3.28Å; C461-V463 VanDerWaalsContact SG-CG1 3.57Å; V463-L473 HydrophobicContact CG1-CD1 4.39Å; V463-L473 HydrophobicContact CG1-CD2 3.85Å; V463-L473 HydrophobicContact CG2-CD1 4.26Å; V463-L473 HydrophobicContact CG2-CD2 4.39Å; V463-L475 HydrophobicContact CB-CD2 4.24Å; V463-L475 HydrophobicContact CG2-CD2 3.98Å
464N89.8Confident76.7Confident28 Ų2855.8 Ų55.815%0.1527%0.273CS..EExtended strand (participates in β ladder)trans-111.4137.3-177.7-48.2-58.6000110.4Y435 T439 E442 L448 Y456 K457 G462Y435-N464 HydrophobicContact CE1-CB 4.32Å; Y435-N464 WeakPolarHBondContact CE1-OD1 3.39Å; Y435-N464 VanDerWaalsContact OH-CB 3.32Å; Y435-N464 WeakPolarHBondContact OH-CB 3Å; Y435-N464 PolarHBondContact OH-OD1 3.2Å; T439-N464 HydrophobicContact CG2-CB 4.11Å; E442-N464 PolarHBondContact N-O 3.09Å; L448-N464 HydrophobicContact CD1-CB 4.36Å; Y456-N464 CarbonylContact O-C 3.59Å; Y456-N464 VanDerWaalsContact O-CA 3.29Å; Y456-N464 WeakPolarHBondContact O-CA 2.91Å; K457-N464 WeakPolarHBondContact CD-OD1 3.42Å; K457-N464 WeakPolarHBondContact CG-OD1 3.25Å; G462-N464 PolarHBondContact O-OD1 3.04Å
465C86.9Confident75.4Confident0 Ų058.8 Ų58.80%029%0.29CS..EExtended strand (participates in β ladder)trans-149.7161.6179.162.50000113.4F430 C441 G455 Y456 C469 L473F430-C465 WeakPolarHBondContact CE1-SG 3.3Å; F430-C465 VanDerWaalsContact CZ-SG 3.58Å; C441-C465 VanDerWaalsContact SG-CA 3.55Å; G455-C465 CarbonylContact C-O 3.58Å; G455-C465 WeakPolarHBondContact CA-O 3.46Å; Y456-C465 PolarHBondContact N-O 2.93Å; Y456-C465 PolarHBondContact O-N 3.45Å; C465-C469 HydrophobicContact CB-CB 4.21Å; C465-L473 HydrophobicContact CB-CD1 3.58Å
466H83.8Confident73.6Confident35 Ų3560 Ų6016%0.16230%0.299CS..  trans-67.5161.8168.6-62.6105.9000111C441 C444 F447 L448 Q468 C469 R470C441-H466 WeakPolarHBondContact CB-CE1 3.26Å; C441-H466 WeakPolarHBondContact CB-ND1 3.23Å; C441-H466 PolarHBondContact SG-N 2.91Å; C441-H466 VanDerWaalsContact SG-N 3.38Å; C441-H466 PolarHBondContact SG-ND1 3.06Å; C441-H466 VanDerWaalsContact SG-ND1 3.37Å; C444-H466 PolarHBondContact SG-CE1 3.43Å; C444-H466 PolarHBondContact SG-ND1 3.45Å; F447-H466 PolarHBondContact O-NE2 2.94Å; L448-H466 HydrophobicContact CD2-CB 4.46Å; L448-H466 WeakPolarHBondContact CD2-CD2 3.33Å; H466-Q468 PolarHBondContact O-N 3.21Å; H466-C469 HydrophobicContact CB-CB 4.11Å; H466-C469 PolarHBondContact O-N 3.38Å; H466-C469 VanDerWaalsContact O-N 3.12Å; H466-R470 PolarHBondContact O-N 3.22Å
467K82.8Confident72.2Confident136 Ų13659.5 Ų59.559%0.59130%0.3SS*.THydrogen-bonded Turntrans-54.7-41173.4-172.4169.8-179.1-179.30112.7Y456 R470Y456-K467 HydrophobicContact CD2-CB 4.18Å; Y456-K467 HydrophobicContact CE2-CB 3.62Å; Y456-K467 HydrophobicContact CE2-CD 4.21Å; Y456-K467 HydrophobicContact CE2-CG 3.62Å; K467-R470 WeakPolarHBondContact O-CB 3.46Å
468Q70.9Confident71Confident142 Ų14263.7 Ų63.766%0.66431%0.313SS*.THydrogen-bonded Turntrans-76.6-31179.4-57.383.6-5.200112H466H466-Q468 PolarHBondContact O-N 3.21Å
469C71.3Confident69.5Low14 Ų1471.1 Ų71.110%0.09535%0.345CS..THydrogen-bonded Turntrans-82.5-15.1-179.2-610000113.6H443 C465 H466 E471 L472 L473H443-C469 HydrophobicContact CB-CB 3.8Å; C465-C469 HydrophobicContact CB-CB 4.21Å; H466-C469 HydrophobicContact CB-CB 4.11Å; H466-C469 PolarHBondContact O-N 3.38Å; H466-C469 VanDerWaalsContact O-N 3.12Å; C469-E471 VanDerWaalsContact C-N 3.28Å; C469-E471 PolarHBondContact O-N 3.17Å; C469-L472 PolarHBondContact O-N 3.41Å; C469-L473 PolarHBondContact O-N 3.4Å; C469-L473 VanDerWaalsContact O-N 3.11Å
470R69.8Low67.8Low98 Ų9871.9 Ų71.937%0.3736%0.355SS..THydrogen-bonded Turntrans-49.6-47177.5164.3-174.5126.7159.4-2.3113.1F430 H466 K467 L472F430-R470 HydrophobicContact CB-CG 4.42Å; F430-R470 HydrophobicContact CD2-CG 3.73Å; F430-R470 HydrophobicContact CE2-CG 4.23Å; F430-R470 HydrophobicContact CG-CG 4.2Å; H466-R470 PolarHBondContact O-N 3.22Å; K467-R470 WeakPolarHBondContact O-CB 3.46Å; R470-L472 VanDerWaalsContact C-N 3.33Å
471E57.4Low65.9Low148 Ų14876.9 Ų76.969%0.69238%0.379SS*.THydrogen-bonded Turntrans-88.8-8.9-172.9-58.7-171.9167.700112.2C469C469-E471 VanDerWaalsContact C-N 3.28Å; C469-E471 PolarHBondContact O-N 3.17Å
472L53.8Low63.9Low105 Ų10586.6 Ų86.655%0.5541%0.412SS..THydrogen-bonded Turntrans-102.8-2179-56.9172.9000111.9H443 C469 R470 V474H443-L472 PolarHBondContact CD2-O 2.9Å; H443-L472 WeakPolarHBondContact NE2-CB 3.46Å; H443-L472 PolarHBondContact NE2-O 2.9Å; C469-L472 PolarHBondContact O-N 3.41Å; R470-L472 VanDerWaalsContact C-N 3.33Å; L472-V474 WeakPolarHBondContact O-CG2 3.48Å; L472-V474 PolarHBondContact O-N 2.67Å; L472-V474 VanDerWaalsContact O-N 3.11Å
473L50.8Low61.3Low20 Ų2090.6 Ų90.611%0.10544%0.436CS..  trans-71108.3-170.2-161.8124000111.8F430 H443 V463 C465 C469 L475F430-L473 HydrophobicContact CZ-CB 4.42Å; F430-L473 HydrophobicContact CZ-CD1 4.12Å; F430-L473 HydrophobicContact CZ-CD2 4Å; F430-L473 HydrophobicContact CZ-CG 4.4Å; H443-L473 HydrophobicContact CB-CD1 4.08Å; V463-L473 HydrophobicContact CG1-CD1 4.39Å; V463-L473 HydrophobicContact CG1-CD2 3.85Å; V463-L473 HydrophobicContact CG2-CD1 4.26Å; V463-L473 HydrophobicContact CG2-CD2 4.39Å; C465-L473 HydrophobicContact CB-CD1 3.58Å; C469-L473 PolarHBondContact O-N 3.4Å; C469-L473 VanDerWaalsContact O-N 3.11Å; L473-L475 VanDerWaalsContact C-N 3.32Å; L473-L475 HydrophobicContact CD2-CB 3.59Å; L473-L475 HydrophobicContact CG-CB 4.4Å; L473-L475 PolarHBondContact O-N 2.93Å
474V46.1Very low58.7Low64 Ų6493.8 Ų93.839%0.38847%0.47SS..  trans-84.7-0.9-173.5-163.20000113.4R413 L472R413-V474 HydrophobicContact CB-CG1 4.44Å; L472-V474 WeakPolarHBondContact O-CG2 3.48Å; L472-V474 PolarHBondContact O-N 2.67Å; L472-V474 VanDerWaalsContact O-N 3.11Å
475L57Low55.8Low87 Ų8797.6 Ų97.646%0.45550%0.499SS..SBendtrans-70.8141.9177.7-155.891.8000110.6H428 V463 L473H428-L475 PolarHBondContact NE2-O 3.35Å; V463-L475 HydrophobicContact CB-CD2 4.24Å; V463-L475 HydrophobicContact CG2-CD2 3.98Å; L473-L475 VanDerWaalsContact C-N 3.32Å; L473-L475 HydrophobicContact CD2-CB 3.59Å; L473-L475 HydrophobicContact CG-CB 4.4Å; L473-L475 PolarHBondContact O-N 2.93Å
476A51.7Low53.2Low26 Ų26105.3 Ų105.322%0.21554%0.539CS..  trans-75.1143171.100000111.5F426 R478F426-A476 HydrophobicContact CD1-CB 3.92Å; F426-A476 HydrophobicContact CE1-CB 3.7Å; F426-A476 HydrophobicContact CZ-CB 4.26Å; A476-R478 PolarHBondContact O-N 3.14Å; A476-R478 VanDerWaalsContact O-N 3.16Å
477C63.9Low50.4Low19 Ų19108.6 Ų108.613%0.12857%0.566CS.*  trans-82.592.3177.5-161.90000110.7G425 I427 H428 D460G425-C477 PolarHBondContact O-N 3.26Å; I427-C477 WeakPolarHBondContact O-CB 3.35Å; H428-C477 VanDerWaalsContact CE1-CA 3.43Å; H428-C477 WeakPolarHBondContact CE1-CA 3.49Å; H428-C477 PolarHBondContact ND1-SG 3.2Å; H428-C477 VanDerWaalsContact ND1-SG 3.42Å; H428-C477 PolarHBondContact NE2-N 3.43Å; D460-C477 VanDerWaalsContact CB-SG 3.57Å
478R64.2Low47.9Very low177 Ų177108.5 Ų108.567%0.66858%0.582SS**  trans-97.7113.8176.4-60.8-174.5-177.3-156.20.3109.8C461 A476 L480C461-R478 WeakPolarHBondContact CA-O 3.42Å; C461-R478 WeakPolarHBondContact CB-O 3.29Å; A476-R478 PolarHBondContact O-N 3.14Å; A476-R478 VanDerWaalsContact O-N 3.16Å; R478-L480 PolarHBondContact O-N 3.03Å
479K56Low45.7Very low157 Ų157105.2 Ų105.268%0.68359%0.587SS**  trans-59.6126.5177.8-84.2-176.9176.5178.80110.6D460 I481D460-K479 HydrophobicContact CB-CG 3.93Å; D460-K479 WeakPolarHBondContact O-CA 3.2Å; D460-K479 WeakPolarHBondContact OD1-CE 3.48Å; K479-I481 PolarHBondContact O-N 3.24Å
480L47.4Very low43.6Very low140 Ų140110.4 Ų110.473%0.73362%0.623SS**  trans-73.4108.1169.6-143.388.5000107.9D460 R478 R482D460-L480 PolarHBondContact O-N 3.02Å; R478-L480 PolarHBondContact O-N 3.03Å; L480-R482 PolarHBondContact O-N 2.68Å
481I36.5Very low42Very low152 Ų152112 Ų11278%0.77965%0.647SS**  trans-67.2107171.8-59.5175000107K479 S483K479-I481 PolarHBondContact O-N 3.24Å; I481-S483 PolarHBondContact O-N 3.07Å; I481-S483 VanDerWaalsContact O-N 3.1Å
482R35.3Very low40.5Very low233 Ų233110 Ų11088%0.87966%0.655SS**  trans-72.795.2170.8-78.1-176.5-177.5177.31.3108.8L480L480-R482 PolarHBondContact O-N 2.68Å
483S28.9Very low39.2Very low113 Ų113116.7 Ų116.779%0.7967%0.673SS**  trans-69.2131.3159.3-670000109.1I481I481-S483 PolarHBondContact O-N 3.07Å; I481-S483 VanDerWaalsContact O-N 3.1Å
484G27.9Very low38.3Very low75 Ų75123.9 Ų123.977%0.77371%0.711SS**  trans-64.4137.8-170.600000114.8
485S30.4Very low37.2Very low108 Ų108127.7 Ų127.776%0.75573%0.734SS**  trans24.6108.4143.1164.10000118.5
486L30.6Very low35.7Very low163 Ų163132 Ų13285%0.85375%0.752SS**  -162.1114128.9-101134.9000112
487S26.6Very low34.5Very low103 Ų103135.8 Ų135.872%0.7278%0.777SS**  trans41.3114.2150.3560000123.5
488S29.9Very low32.6Very low134 Ų134140.5 Ų140.594%0.93781%0.81SS**  48.8111.6128.1-166.40000121.7
489G24.4Very low30.7Very low74 Ų74140 Ų14076%0.76382%0.82SS**  trans175.2129.515700000112.6
490S28.1Very low29.6Very low122 Ų122137.7 Ų137.785%0.85382%0.821SS**  trans-60.9170.7-170.7-56.10000117
491P35.1Very low28.4Very low133 Ų133138.3 Ų138.386%0.86483%0.825SS**  trans-90.2141.8-163.135.8-30.7000113.4
492A26.1Very low27.7Very low105 Ų105136.5 Ų136.587%0.86883%0.826SS**  trans-128.8149.3170.800000112.3
493R25.9Very low27.8Very low246 Ų246130.6 Ų130.693%0.92882%0.817SS**  trans-67.1159.9-168.6-70.4173.5172.9-169-3.7115
494L31.8Very low27.5Very low170 Ų170131.9 Ų131.989%0.8982%0.821SS**  trans-49.9139.5167.2-67.2156000114
495T24.3Very low27.5Very low144 Ų144136 Ų13688%0.88382%0.824SS**  trans-159152.6146.340.10000112.1
496H25.6Very low27.3Very low177 Ų177136.3 Ų136.382%0.81982%0.824SS**  trans-62.5158.9-169.2-76.5-106000119
497S25.1Very low26.9Very low106 Ų106134.4 Ų134.474%0.74182%0.819SS**  trans67.1118.7141.351.70000121.2
498S23.7Very low26.8Very low119 Ų119135 Ų13583%0.83282%0.822SS**  158130.3116.4-61.30000112.4
499L26.2Very low26.4Very low165 Ų165138.5 Ų138.586%0.86482%0.82SS**  trans-61.4161.2159.8-81.7163.7000110.3
500P32.1Very low26.5Very low109 Ų109142.4 Ų142.471%0.70882%0.823SS**  -154.4175.851.540.5-17.4000119.7
501N21.5Very low26.5Very low154 Ų154145.6 Ų145.682%0.82483%0.825SS**  trans82118.7151.3-69-3.5000122.6
502S23.1Very low26.1Very low114 Ų114146 Ų14680%0.79782%0.82SS**  trans-60.7175.4149.1-57.80000111.6
503P36.7Very low26.2Very low108 Ų108149 Ų14970%0.70182%0.821SS**  cis-139.4169.29.639.6-20.7000115.7
504T22.6Very low26.3Very low140 Ų140143.5 Ų143.586%0.85982%0.815SS**  168.3136.2126.328.20000114
505L28.8Very low26Very low161 Ų161143.9 Ų143.984%0.84381%0.809SS**  trans-67153.8163.4-99.896.7000111.4
506P25.7Very low26Very low115 Ų115145.7 Ų145.775%0.74781%0.808SS**  -141.6130.3101.824.4-3.8000113.7
507T22.4Very low26Very low124 Ų124146.2 Ų146.276%0.76181%0.808SS**  88.5127.189.2-29.50000114.6
508C23Very low26.3Very low114 Ų114146.9 Ų146.977%0.7781%0.81SS**  trans-52.3150.9-178.2-68.70000116
509K23.2Very low26.5Very low209 Ų209146 Ų14691%0.90981%0.81SS**  -144.3118.7128.2-71.2-162.5176.2-177.90109.9
510D25.6Very low26.7Very low155 Ų155145.1 Ų145.183%0.82981%0.811SS**  trans-55.2148.1153.1-81.4-45.1000109.5
511E28.1Very low26.5Very low189 Ų189144.2 Ų144.288%0.88381%0.813SS**  -161.2145.8116.8-74.2-135.413400109.7
512D26.9Very low27Very low143 Ų143143.1 Ų143.177%0.76581%0.814SS**  trans-54.9151-176.2-65.4-65000114.7
513D28.1Very low27.4Very low167 Ų167145 Ų14589%0.89382%0.821SS**  -162.3138.7123.6-104.6-28.8000114.3
514V28.2Very low26.9Very low130 Ų130143 Ų14379%0.78882%0.819SS**PPolyproline II helixtrans-76.6142.5-167.8169.90000111.9
515F25.6Very low27.4Very low178 Ų178142.7 Ų142.778%0.78182%0.819SS**PPolyproline II helixtrans-90.5116.8-177.2-164.2-94.7000111.6
516E24.6Very low27.4Very low183 Ų183139.7 Ų139.786%0.85582%0.818SS**PPolyproline II helixtrans-84.3136.4170.4-84.3-172.7148.800112.2
517F25.4Very low27.7Very low187 Ų187140.3 Ų140.382%0.8282%0.822SS**PPolyproline II helixtrans-86.4134.8175.6-96.9-95.6000111.9
518P31.1Very low28.1Very low120 Ų120141.9 Ų141.978%0.77983%0.826SS**PPolyproline II helixtrans-86.5128.5167.64.712.4000112
519A27Very low28.5Very low101 Ų101141.4 Ų141.484%0.83582%0.821SS**PPolyproline II helixtrans-73.8157171.700000113.2
520V31.4Very low29.1Very low147 Ų147140.7 Ų140.789%0.89182%0.821SS**PPolyproline II helixtrans-79.6140.9178176.80000111.1
521A27.6Very low29.5Very low89 Ų89138 Ų13874%0.73681%0.814SS**  trans-146.8169.9167.400000110.2
522P32.4Very low30Very low131 Ų131135.3 Ų135.385%0.85180%0.804SS**  -114.5176.3-115.514.99.6000115.1
523V30.7Very low30.3Very low155 Ų155132.8 Ų132.894%0.93979%0.794SS**  trans-67.6143.3-170.1173.40000116
524G26.8Very low30.6Very low64 Ų64131.8 Ų131.866%0.6679%0.788SS**  trans160.6162.9147.900000113.1
525P32.4Very low30.7Very low134 Ų134132.1 Ų132.187%0.8778%0.783SS**  cis-111.8168.6-48.935.2-20.4000112.5
526A29.1Very low31.3Very low99 Ų99129.2 Ų129.282%0.81878%0.78SS**  trans-74.1155.4-169.800000116.7
527P31.9Very low32Very low128 Ų128125 Ų12583%0.83179%0.786SS**  trans-113.4160.1152.333.3-20.1000113.9
528D31.1Very low32.6Very low156 Ų156120.6 Ų120.683%0.83478%0.778SS**PPolyproline II helixtrans-50.5152.5-165.4-80.4-52000119.7
529P32.1Very low33.2Very low105 Ų105120 Ų12068%0.68278%0.783SS**PPolyproline II helixtrans-81.2120.8177.131.7-31.8000113.3
530Q34.7Very low33.6Very low194 Ų194123.6 Ų123.691%0.90778%0.783SS**PPolyproline II helixtrans-63.6130.9170.5-78.4168.4-24.900112.5
531S35.4Very low33.7Very low97 Ų97126.4 Ų126.468%0.67878%0.777SS**PPolyproline II helixtrans-90.6134.3169.156.90000111.3
532I36.9Very low34.2Very low133 Ų133128.4 Ų128.468%0.68277%0.774SS**PPolyproline II helixtrans-96.8129.4174.9-59173.1000109.1
533T34.3Very low34.2Very low90 Ų90127.1 Ų127.155%0.55277%0.768SS**  trans-108.6126.1174.8-49.60000109.2
534L33.1Very low34.3Very low146 Ų146124.9 Ų124.976%0.76476%0.755SS**  trans-110136.6176.1-70.6165.4000109.9
535M30.6Very low34.6Very low137 Ų137132.1 Ų132.168%0.67576%0.762SS**  trans-107.5124.7176.2-73.5-86.817400109.3
536T37.9Very low34.3Very low117 Ų117133.8 Ų133.872%0.71876%0.763SS**  trans-124.7156.4167.261.30000109.7S538T536-S538 PolarHBondContact O-N 3.45Å
537G40.4Very low34.4Very low95 Ų95138 Ų13898%0.97977%0.766SS**SBendtrans-68.929.6-164.100000118.5
538S38Very low34.1Very low94 Ų94143.8 Ų143.866%0.65777%0.771SS**SBendtrans-142.9129.1163.8570000109.4T536 Q540T536-S538 PolarHBondContact O-N 3.45Å; S538-Q540 PolarHBondContact O-N 3.22Å
539A42.3Very low33.8Very low107 Ų107140.3 Ų140.388%0.88476%0.764SS**SBendtrans-70.285.1-162.600000114.2
540Q36.5Very low33.4Very low177 Ų177142.2 Ų142.283%0.82777%0.774SS**  trans-146.2128.1156.6-69.2-170.1-22.200110.3S538S538-Q540 PolarHBondContact O-N 3.22Å
541R33.6Very low33Very low206 Ų206139.5 Ų139.578%0.77777%0.771SS**  trans-90.1125.5-179.1-75.9179.7163.4111.9-5.3110.5
542I37.4Very low32.6Very low131 Ų131140.5 Ų140.567%0.67278%0.777SS**  trans-120.7120.8172.7-56.8175.2000108.9V544I542-V544 HydrophobicContact CG2-CG2 4.14Å
543S32.8Very low32.1Very low104 Ų104143.2 Ų143.273%0.72779%0.787SS**  trans-98.6122.917456.50000110.2
544V32.9Very low31.6Very low109 Ų109143.4 Ų143.466%0.66180%0.798SS**  trans-111.9125.4178.6-174.40000110I542I542-V544 HydrophobicContact CG2-CG2 4.14Å
545R32.2Very low31.3Very low215 Ų215143.4 Ų143.481%0.81181%0.805SS**  trans-102.2118.1-179.7-155173.8-169.51602.3108.5Q547R545-Q547 PolarHBondContact O-N 2.97Å
546L27.6Very low31Very low169 Ų169145.3 Ų145.389%0.88581%0.812SS**  trans-83.7111.6178.2-90.4147.2000109.9
547Q29.9Very low30.4Very low188 Ų188146.2 Ų146.288%0.87982%0.818SS**  trans-104.6139.6164.3-84.7-165.7-37.800110.5R545R545-Q547 PolarHBondContact O-N 2.97Å
548R25.3Very low29.5Very low250 Ų250150.3 Ų150.394%0.94381%0.811SS**  trans-106.6133.8177.3-153.6-179.5-149.8163.85.7109.1
549A25.2Very low29.4Very low82 Ų82150.3 Ų150.368%0.67881%0.809SS**  trans108.8142.7148.200000119.8
550T24.9Very low28.5Very low145 Ų145153 Ų15389%0.8981%0.808SS**  trans86.1131.9150.147.90000121.2
551T26.4Very low28Very low137 Ų137155.7 Ų155.784%0.8481%0.81SS**  trans-78.6140.4-174.740.20000114.5
552S25.8Very low27.4Very low118 Ų118151.2 Ų151.283%0.82581%0.811SS**  trans-165.5122.8148.257.70000113.8
553Q26.5Very low26.7Very low190 Ų190151.8 Ų151.889%0.88882%0.815SS**  trans21.4123.3149.6-61.3-173.7-5.900124.1
554A23.9Very low26.3Very low95 Ų95153.8 Ų153.879%0.78582%0.817SS**  44.2127.7124.100000124
555T27.3Very low25.7Very low146 Ų146154 Ų15490%0.89682%0.823SS**  -154.3146.5127.7-1.40000112.2
556Q23.6Very low25.4Very low176 Ų176155.6 Ų155.682%0.82283%0.829SS**  trans-60.1160.2175.2-68.4162.1-36.300112.1
557T26.9Very low25.1Very low137 Ų137151.3 Ų151.384%0.8483%0.827SS**  -164.2144.567.342.10000113.7
558E20.6Very low24.8Very low181 Ų181148.2 Ų148.285%0.84683%0.826SS**  trans-72.6-170.9161.8-108.1-175-171.600112
559P36.5Very low24.7Very low94 Ų94140.7 Ų140.761%0.6182%0.817SS**  cis-136.8178.5-30.732.9-14000112.2
560L23.1Very low24.7Very low164 Ų164144.3 Ų144.386%0.85983%0.825SS**  trans-169.7120131.4-122.7114.1000111.2
561W24.7Very low25Very low232 Ų232142.9 Ų142.988%0.87982%0.821SS**  trans-90.7156.3163.8-76.782.8000109.8
562S22.6Very low24.9Very low113 Ų113139 Ų13979%0.7981%0.809SS**  trans-143.8147.6154.1-68.80000109.4
563D22.3Very low24.9Very low143 Ų143138.5 Ų138.577%0.76581%0.805SS**  trans-116.5164.8-150.6-137.7-14.8000111
564L23.7Very low24.8Very low146 Ų146138.1 Ų138.176%0.76480%0.802SS**  trans75.8118.6157.2-59.5155.8000120.6
565S21.1Very low24.9Very low114 Ų114139.3 Ų139.380%0.79780%0.8SS**  167.1163.689.4-1660000112.3
566W25.5Very low24.9Very low247 Ų247141.8 Ų141.894%0.93680%0.799SS**  trans-79.3154.8-158.7-72.447000117
567G22.3Very low25Very low80 Ų80138.5 Ų138.583%0.82579%0.793SS**  trans-176.3133.9163.800000114.5
568S22.4Very low25.1Very low123 Ų123142.1 Ų142.186%0.8680%0.797SS**  trans-62.1154.4-166.9-61.50000119
569A24.1Very low25.2Very low92 Ų92142 Ų14276%0.7680%0.799SS**  trans53.6108.8146.700000118.9
570D23.7Very low24.8Very low157 Ų157147.3 Ų147.384%0.8481%0.812SS**  -162.6151.9119.6-123.6-31.7000114.2
571S33Very low24.9Very low115 Ų115149.8 Ų149.880%0.80481%0.811SS**  trans-46.7125.3175.251.10000114.5
572G23.7Very low24.8Very low57 Ų57149.9 Ų149.959%0.58881%0.812SS**  trans-150.7118.1-176.900000113.9H574G572-H574 PolarHBondContact O-N 3.27Å
573S25.4Very low25Very low107 Ų107149.7 Ų149.775%0.74881%0.806SS**  trans-46.2117.3167.4165.80000112.4T575S573-T575 VanDerWaalsContact C-N 3.32Å; S573-T575 PolarHBondContact O-N 3.42Å
574H23.8Very low25.1Very low181 Ų181151.7 Ų151.784%0.83881%0.81SS**  trans-73.985.4171-70.5-73.2000110.3G572G572-H574 PolarHBondContact O-N 3.27Å
575T26.8Very low25.2Very low120 Ų120155.1 Ų155.174%0.73681%0.813SS**  trans-91.1112.4156.7280000107.8S573S573-T575 VanDerWaalsContact C-N 3.32Å; S573-T575 PolarHBondContact O-N 3.42Å
576F27.2Very low25.3Very low199 Ų199159.6 Ų159.687%0.87382%0.818SS**  trans-64.1136.3171.4-99.7-90.3000110.1
577P25.3Very low25.3Very low106 Ų106152.6 Ų152.669%0.68880%0.803SS**  trans-73.8139.3-178.827.2-31.8000111.9M579P577-M579 PolarHBondContact O-N 3.45Å
578K28.7Very low25.4Very low213 Ų213154.4 Ų154.493%0.92680%0.802SS**  trans-62.7103.2167.4-73.6-176.6175.5-179.30109.3
579M24.2Very low25.6Very low180 Ų180157.7 Ų157.789%0.88780%0.801SS**  trans-89.5117.8173.3-15896.2104.500110.3P577 Y581P577-M579 PolarHBondContact O-N 3.45Å; M579-Y581 PolarHBondContact O-N 3.2Å
580K27Very low25.7Very low205 Ų205158.7 Ų158.789%0.89180%0.802SS**  trans-65.4118.8167.3-69.4175.4177.51760108.8R582K580-R582 PolarHBondContact O-N 3.18Å
581Y24.5Very low26.1Very low215 Ų215157.5 Ų157.584%0.84380%0.803SS**  trans-74.3114.9175.4-159.8-104.3000109.7M579 T583M579-Y581 PolarHBondContact O-N 3.2Å; Y581-T583 HydrophobicContact CD1-CG2 3.9Å; Y581-T583 HydrophobicContact CE1-CG2 3.59Å
582R23.2Very low25.7Very low234 Ų234155.5 Ų155.588%0.88380%0.801SS**  trans-109.5111.5171.6-141.7-179.9-168.7178.42.5106.4K580 H584K580-R582 PolarHBondContact O-N 3.18Å; R582-H584 PolarHBondContact O-N 2.93Å
583T26.4Very low25.8Very low109 Ų109159.4 Ų159.467%0.66981%0.813SS**  trans-71.5109.317746.40000110.2Y581Y581-T583 HydrophobicContact CD1-CG2 3.9Å; Y581-T583 HydrophobicContact CE1-CG2 3.59Å
584H24.6Very low25.8Very low185 Ų185159 Ų15986%0.85682%0.816SS**  trans-112.998.5157-116.2-78.3000108.9R582R582-H584 PolarHBondContact O-N 2.93Å
585R26.5Very low25.9Very low218 Ų218159.6 Ų159.682%0.82381%0.811SS**  trans-80.6111.5171.4-170.6-178.8-173.7179.12.1107.9V587R585-V587 HydrophobicContact CG-CG2 4.02Å
586K23.9Very low25.8Very low209 Ų209165.3 Ų165.391%0.90982%0.82SS**  trans-87.5114.5152.3-97-176.2178.2176.70106.7S588K586-S588 PolarHBondContact O-N 3.44Å
587V25.5Very low25.8Very low100 Ų100162.7 Ų162.761%0.60681%0.81SS**  trans-76110.6170.1173.30000107.3R585 K589R585-V587 HydrophobicContact CG-CG2 4.02Å; V587-K589 HydrophobicContact CG1-CG 4.34Å
588S24.1Very low25.9Very low117 Ų117164.9 Ų164.982%0.81882%0.816SS**  trans-86.7133.6146.973.80000107.3K586K586-S588 PolarHBondContact O-N 3.44Å
589K26.5Very low25.8Very low192 Ų192164 Ų16484%0.83582%0.815SS**  trans-80.7118.7177.5-70.3175.6174.8178.10108.6V587V587-K589 HydrophobicContact CG1-CG 4.34Å
590S24.6Very low25.9Very low113 Ų113163.3 Ų163.379%0.7982%0.815SS**  180144120.742.40000110.3
591P33.2Very low25.8Very low132 Ų132160.6 Ų160.686%0.85781%0.81SS**  trans-90.6141-170.335.9-30.4000110.8
592G24.3Very low25.9Very low74 Ų74162.3 Ų162.376%0.76382%0.815SS**  trans-153.973.4177.600000110.7A594G592-A594 PolarHBondContact O-N 2.55Å
593V27Very low26.1Very low139 Ų139158.9 Ų158.984%0.84281%0.809SS**  trans-63.9111.8162174.70000106.7R595V593-R595 VanDerWaalsContact C-N 3.28Å; V593-R595 PolarHBondContact O-N 3.2Å
594A24.6Very low26.1Very low98 Ų98161.2 Ų161.281%0.8181%0.812SS**  trans-8084.4172.900000109.2G592G592-A594 PolarHBondContact O-N 2.55Å
595R24.9Very low26.1Very low193 Ų193161.6 Ų161.673%0.72881%0.814SS**  trans-67.7132159.9-162.5-176.9-165.9-166.110.6107.6V593 E597V593-R595 VanDerWaalsContact C-N 3.28Å; V593-R595 PolarHBondContact O-N 3.2Å; R595-E597 IonicContact CZ-OE1 2.84Å; R595-E597 IonicContact NE-OE1 3.73Å; R595-E597 IonicContact NH1-OE1 3.8Å; R595-E597 PolarHBondContact NH1-OE1 3Å; R595-E597 PolarHBondContact O-N 3.4Å
596W25.6Very low26Very low241 Ų241154.6 Ų154.691%0.91381%0.809SS**  trans-72.6111.6170.3-79.860000108.7
597E26.4Very low26.1Very low144 Ų144151.9 Ų151.967%0.67381%0.81SS**  trans-125.299.6166.9-82.5177-170.300108.5R595R595-E597 IonicContact CZ-OE1 2.84Å; R595-E597 IonicContact NE-OE1 3.73Å; R595-E597 IonicContact NH1-OE1 3.8Å; R595-E597 PolarHBondContact NH1-OE1 3Å; R595-E597 PolarHBondContact O-N 3.4Å
598N29.1Very low26Very low151 Ų151152.6 Ų152.681%0.80782%0.819SS**  trans-80.7109156.9-98.8-22.4000106.8
599H25.8Very low26.1Very low196 Ų196152 Ų15291%0.90782%0.821SS**  trans-150.9121.3151.8-105.455.1000108.4
600N26.7Very low26.1Very low165 Ų165150.9 Ų150.988%0.88282%0.819SS**  trans-123.2128.5161.1-135.7-2000109.1
601N24.8Very low26.1Very low147 Ų147151.5 Ų151.579%0.78681%0.813SS**  trans-50.9135.9-174.2-91.2-33.4000114.7
602R26.5Very low25.8Very low251 Ų251154.7 Ų154.795%0.94781%0.81SS**  trans-129.6124.5137-94.9-173.3173-176.5-2.3110
603Q26.9Very low25.9Very low163 Ų163158 Ų15876%0.76281%0.809SS**  trans-72.2143.3179.1-85.2175.9-20.900112.9
604Q26.1Very low25.9Very low157 Ų157157.9 Ų157.973%0.73480%0.804SS**  trans63.9112.3140.7-68.8180-2.400119.9
605H25.6Very low26Very low194 Ų194163.9 Ų163.990%0.89881%0.807SS**  -155.7132.6100.8-96.5-69.5000109.4
606G24.3Very low26.2Very low70 Ų70163.2 Ų163.272%0.72281%0.813SS**  trans-91.1150.9-178.100000113.1
607V25.2Very low26.2Very low152 Ų152159.2 Ų159.292%0.92181%0.809SS**  trans-152130.9144.3-177.70000107.6
608S24.7Very low26.3Very low115 Ų115161.7 Ų161.780%0.80482%0.817SS**  trans-67147.3174.3-50.60000113
609A25.8Very low26.9Very low105 Ų105160.4 Ų160.487%0.86882%0.817SS**  trans-170.3138.9138.700000112.3
610Q25.5Very low26.9Very low169 Ų169155 Ų15579%0.7981%0.814SS**  trans-79.9161.9176.2-64161.8-70.600112.9
611N25.6Very low26.9Very low125 Ų125152.1 Ų152.167%0.66881%0.807SS**  trans79.5151.5143-67.5-17.2000122.1
612Y26.3Very low27.1Very low200 Ų200151.4 Ų151.478%0.78481%0.813SS**  trans99.4102.6161-65.1-84000116.2
613L27Very low27.2Very low143 Ų143148.7 Ų148.775%0.74981%0.811SS**  85.3124.474.9-104.5138.6000113.8
614N27.2Very low27.3Very low136 Ų136144.4 Ų144.473%0.72781%0.81SS**  trans-7.8136.5154.9-73.6-25.7000116.9
615Y26.3Very low27.4Very low224 Ų224148 Ų14888%0.87882%0.817SS**  trans-148.7113.8131.3-105.8-80.1000111.4
616Q28.1Very low27.6Very low180 Ų180146.5 Ų146.584%0.84182%0.816SS**  trans-67.4142.9152.7-75.7173.1-38.400108.8
617N25.6Very low27.8Very low156 Ų156146.9 Ų146.983%0.83482%0.819SS**  trans-164.3120140.3-97.5-21000111.3
618K28.5Very low28.1Very low196 Ų196148.9 Ų148.985%0.85282%0.819SS**  trans-96.2-178.8152.3-83.2-173.9170.6-178.50107.3
619P42.4Very low28.4Very low124 Ų124150.1 Ų150.181%0.80582%0.821SS**  -125162.5-62.735.7-19.5000111
620G25.9Very low28.7Very low82 Ų82152.7 Ų152.785%0.84582%0.82SS**  trans-114.1118.3172.800000111.1
621S27.6Very low29.1Very low105 Ų105151.2 Ų151.273%0.73482%0.823SS**  trans-76.3145.7171.9122.50000110.4
622C27.7Very low29.4Very low133 Ų133154.2 Ų154.290%0.89984%0.835SS**  trans-151.8114.1148.9-97.30000108.8
623E29.5Very low29.9Very low194 Ų194154 Ų15491%0.90784%0.842SS**  trans-70.6153.3165.8-66.7176.513500111.2
624G28.5Very low30.5Very low73 Ų73155 Ų15575%0.75385%0.847SS**  trans171.467.1169.300000117.8
625R28.4Very low31.2Very low233 Ų233158 Ų15888%0.87988%0.879SS**  trans45.9123.4143.3-81.5179.4-178.9170.91.1122.7
626N29.4Very low31.5Very low162 Ų162154.7 Ų154.787%0.86688%0.879SS**  53.4123.2124.8-62.94000121.3
627G27.8Very low31.7Very low77 Ų77153.4 Ų153.479%0.79488%0.881SS**  trans-174.788.8157.400000111
628E31.6Very low32Very low195 Ų195153.2 Ų153.291%0.91188%0.884SS**  trans-66.2135.8164-65.9171.3139.100109.9
629T31.9Very low32.2Very low140 Ų140150.7 Ų150.786%0.85989%0.886SS**  trans-154.6113.5146.535.20000110.2
630N32.3Very low31.6Very low159 Ų159152.4 Ų152.485%0.8589%0.891SS**  trans-62.3141.3155.1-79.1-35.1000110.3
631T33.7Very low32Very low139 Ų139157.1 Ų157.185%0.85389%0.894SS**  trans-152109.9142.141.10000109.5
632M31.1Very low32.3Very low187 Ų187160.8 Ų160.892%0.92191%0.905SS**  trans-62.7142.9147-83.8166136.400108.7
633E38.4Very low32.6Very low197 Ų197162.9 Ų162.992%0.92191%0.906SS**  trans-154.7126145.4-115.1172.6-170.200109.9
634D39.3Very low32.9Very low162 Ų162160.3 Ų160.387%0.86691%0.906SS**  trans-70.1142.2171.8-76.4-49.5000111.3
635S42.3Very low33.3Very low200 Ų200168.3 Ų168.3100%1.39992%0.92SS**  trans-169.80137.6-76.40000110.3

Retrieved 635 of 635 residues in 377.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).