A0A087Y5T9_POEFO Loading...

CUE domain containing 2

AlphaFold DB , UniProt , Accession A0A087Y5T9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 281 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.2Low84.5Confident200 Ų20062.9 Ų62.999%0.98532%0.321SS*.  0-34.60-70.7-171.7-168.900112.4
2D78.3Confident84.9Confident90 Ų9063.7 Ų63.748%0.48132%0.322SS..Hα-helixtrans-76.6-26.4-177.7-62-37.7000113.6K5 I6D2-K5 PolarHBondContact O-N 2.8Å; D2-K5 IonicContact OD1-NZ 2.83Å; D2-I6 VanDerWaalsContact O-CG1 3.32Å; D2-I6 WeakPolarHBondContact O-CG1 3.42Å; D2-I6 PolarHBondContact O-N 3.26Å
3L82.4Confident85.4Confident27 Ų2769.3 Ų69.314%0.14135%0.347CS..Hα-helixtrans-60.9-48.2175.3-131.175.1000113K5 I6 I7 T36 L87 R91L3-K5 VanDerWaalsContact C-N 3.26Å; L3-K5 PolarHBondContact O-N 3.46Å; L3-I6 PolarHBondContact O-N 2.98Å; L3-I6 VanDerWaalsContact O-N 3.1Å; L3-I7 VanDerWaalsContact O-CG1 3.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.5Å; L3-I7 PolarHBondContact O-N 3.22Å; L3-T36 HydrophobicContact CD2-CG2 3.96Å; L3-L87 HydrophobicContact CD1-CD2 3.76Å; L3-L87 HydrophobicContact CD2-CD1 4.15Å; L3-L87 HydrophobicContact CD2-CD2 4.38Å; L3-L87 HydrophobicContact CG-CD1 4.22Å; L3-L87 HydrophobicContact CG-CD2 3.6Å; L3-L87 HydrophobicContact CG-CG 4.37Å; L3-R91 HydrophobicContact CD1-CG 4.15Å
4H86.5Confident85.9Confident57 Ų5766.1 Ų66.126%0.26433%0.33SS..Hα-helixtrans-60-38.3177.3-75.9-139000111.2I7 H8 L32H4-I7 PolarHBondContact O-N 3.12Å; H4-H8 WeakPolarHBondContact O-CB 3.44Å; H4-H8 PolarHBondContact O-N 2.66Å; H4-L32 HydrophobicContact CB-CD2 4.13Å; H4-L32 WeakPolarHBondContact O-CD2 3.32Å
5K87.6Confident86.2Confident132 Ų13261.7 Ų61.757%0.57431%0.308SS*.Hα-helixtrans-65.6-40.7175.5-66.5176.4-174.3165.10112.1D2 L3 S9D2-K5 PolarHBondContact O-N 2.8Å; D2-K5 IonicContact OD1-NZ 2.83Å; L3-K5 VanDerWaalsContact C-N 3.26Å; L3-K5 PolarHBondContact O-N 3.46Å; K5-S9 VanDerWaalsContact O-CB 3.28Å; K5-S9 WeakPolarHBondContact O-CB 3.22Å; K5-S9 PolarHBondContact O-N 3.38Å; K5-S9 PolarHBondContact O-OG 2.84Å; K5-S9 VanDerWaalsContact O-OG 3.08Å
6I89Confident86.4Confident38 Ų3864.8 Ų64.820%0.19532%0.321CS..Hα-helixtrans-63.2-47.6176.8-65.5162.8000109.8D2 L3 S9 A10 K86 L87 A90D2-I6 VanDerWaalsContact O-CG1 3.32Å; D2-I6 WeakPolarHBondContact O-CG1 3.42Å; D2-I6 PolarHBondContact O-N 3.26Å; L3-I6 PolarHBondContact O-N 2.98Å; L3-I6 VanDerWaalsContact O-N 3.1Å; I6-S9 PolarHBondContact O-N 2.84Å; I6-S9 PolarHBondContact O-OG 3.44Å; I6-A10 WeakPolarHBondContact O-CB 3.47Å; I6-A10 PolarHBondContact O-N 3.19Å; I6-K86 HydrophobicContact CG2-CD 4.12Å; I6-K86 HydrophobicContact CG2-CG 4.35Å; I6-L87 HydrophobicContact CB-CD2 4.09Å; I6-L87 HydrophobicContact CD1-CD2 4.48Å; I6-L87 HydrophobicContact CG2-CD2 3.8Å; I6-A90 HydrophobicContact CD1-CB 3.86Å
7I90.2Very high86.8Confident0 Ų067.1 Ų67.10%034%0.339CS..Hα-helixtrans-60.1-53.1178-64.6165.2000110.1L3 H4 S9 A10 L11 L32 I35 T36 L39 L83 L87L3-I7 VanDerWaalsContact O-CG1 3.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.5Å; L3-I7 PolarHBondContact O-N 3.22Å; H4-I7 PolarHBondContact O-N 3.12Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 2.78Å; I7-A10 PolarHBondContact O-N 3.25Å; I7-L11 WeakPolarHBondContact O-CB 3.48Å; I7-L11 PolarHBondContact O-N 3.21Å; I7-L32 HydrophobicContact CB-CD2 4.34Å; I7-L32 HydrophobicContact CG2-CD2 4.18Å; I7-I35 HydrophobicContact CG2-CG2 3.76Å; I7-T36 HydrophobicContact CD1-CG2 4.25Å; I7-T36 WeakPolarHBondContact CD1-OG1 3.41Å; I7-L39 HydrophobicContact CD1-CD1 4.14Å; I7-L39 HydrophobicContact CG1-CD1 4.08Å; I7-L83 HydrophobicContact CB-CD2 4.44Å; I7-L83 HydrophobicContact CG1-CD2 3.73Å; I7-L87 HydrophobicContact CD1-CD1 3.86Å; I7-L87 HydrophobicContact CG1-CD1 3.86Å; I7-L87 HydrophobicContact CG1-CD2 4.22Å
8H89.2Confident86.9Confident68 Ų6869.3 Ų69.332%0.31534%0.344SS..Hα-helixtrans-57.1-43.9179.4-172-64.1000111.9H4 H12 L32H4-H8 WeakPolarHBondContact O-CB 3.44Å; H4-H8 PolarHBondContact O-N 2.66Å; H8-H12 WeakPolarHBondContact O-CB 3.39Å; H8-H12 PolarHBondContact O-N 3.02Å; H8-L32 HydrophobicContact CB-CD2 4.07Å
9S89.4Confident87Confident61 Ų6167.2 Ų67.243%0.42733%0.334SS..Hα-helixtrans-66.5-43.3179.566.90000112.9K5 I6 I7 E13K5-S9 VanDerWaalsContact O-CB 3.28Å; K5-S9 WeakPolarHBondContact O-CB 3.22Å; K5-S9 PolarHBondContact O-N 3.38Å; K5-S9 PolarHBondContact O-OG 2.84Å; K5-S9 VanDerWaalsContact O-OG 3.08Å; I6-S9 PolarHBondContact O-N 2.84Å; I6-S9 PolarHBondContact O-OG 3.44Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 2.78Å; S9-E13 WeakPolarHBondContact O-CB 3.38Å; S9-E13 PolarHBondContact O-N 2.99Å
10A90.8Very high86.9Confident17 Ų1768.6 Ų68.614%0.1435%0.347CS..Hα-helixtrans-71-41.6-178.900000111.8I6 I7 E13 F14 L83I6-A10 WeakPolarHBondContact O-CB 3.47Å; I6-A10 PolarHBondContact O-N 3.19Å; I7-A10 PolarHBondContact O-N 3.25Å; A10-E13 PolarHBondContact O-N 3.32Å; A10-F14 WeakPolarHBondContact O-CB 3.42Å; A10-F14 PolarHBondContact O-N 3.09Å; A10-L83 HydrophobicContact CB-CD1 3.63Å; A10-L83 HydrophobicContact CB-CG 4.13Å
11L89.6Confident86.7Confident2 Ų272.8 Ų72.81%0.0137%0.371CS..Hα-helixtrans-67.7-38.3177.4-174.9142.2000111I7 F14 I15 L24 L27 I35I7-L11 WeakPolarHBondContact O-CB 3.48Å; I7-L11 PolarHBondContact O-N 3.21Å; L11-F14 PolarHBondContact O-N 3.27Å; L11-I15 HydrophobicContact CD2-CD1 3.29Å; L11-I15 HydrophobicContact CD2-CG1 4.38Å; L11-I15 HydrophobicContact CG-CD1 3.79Å; L11-I15 HydrophobicContact CG-CG1 4.49Å; L11-I15 WeakPolarHBondContact O-CB 3.24Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.35Å; L11-I15 PolarHBondContact O-N 2.73Å; L11-L24 HydrophobicContact CD2-CD2 4.26Å; L11-L27 HydrophobicContact CD2-CD2 3.93Å; L11-I35 HydrophobicContact CD1-CD1 3.92Å
12H89.4Confident88.1Confident72 Ų7264.5 Ų64.533%0.33334%0.335SS..Hα-helixtrans-61.2-47.4172.6-179.9-63.3000112.3H8 F14 I15 Q16 L24H8-H12 WeakPolarHBondContact O-CB 3.39Å; H8-H12 PolarHBondContact O-N 3.02Å; H12-F14 VanDerWaalsContact C-N 3.35Å; H12-F14 PolarHBondContact O-N 3.3Å; H12-I15 PolarHBondContact O-N 2.99Å; H12-Q16 PolarHBondContact CE1-OE1 3.09Å; H12-Q16 WeakPolarHBondContact O-CB 3.4Å; H12-Q16 PolarHBondContact O-N 3.26Å; H12-L24 HydrophobicContact CB-CD1 3.67Å; H12-L24 WeakPolarHBondContact CD2-CD1 3.4Å
13E91.5Very high88.3Confident137 Ų13765 Ų6564%0.6434%0.337SS*.Hα-helixtrans-61.6-42.9177.9-174.9177.9-17700111.8S9 A10 T17S9-E13 WeakPolarHBondContact O-CB 3.38Å; S9-E13 PolarHBondContact O-N 2.99Å; A10-E13 PolarHBondContact O-N 3.32Å; E13-T17 PolarHBondContact O-N 3.23Å; E13-T17 PolarHBondContact O-OG1 3.13Å
14F92.1Very high88.1Confident25 Ų2564.5 Ų64.511%0.1134%0.335CS..Hα-helixtrans-62.9-52176.9180-100.3000111.8A10 L11 H12 Q16 T17 Y18 F68 I71 K75 V76 M79A10-F14 WeakPolarHBondContact O-CB 3.42Å; A10-F14 PolarHBondContact O-N 3.09Å; L11-F14 PolarHBondContact O-N 3.27Å; H12-F14 VanDerWaalsContact C-N 3.35Å; H12-F14 PolarHBondContact O-N 3.3Å; F14-Q16 PolarHBondContact O-N 3.29Å; F14-T17 VanDerWaalsContact O-CB 3.3Å; F14-T17 WeakPolarHBondContact O-CB 3.46Å; F14-T17 PolarHBondContact O-N 3.44Å; F14-T17 VanDerWaalsContact O-N 3.13Å; F14-Y18 HydrophobicContact CD2-CD2 4.46Å; F14-Y18 HydrophobicContact CD2-CE2 4.03Å; F14-Y18 HydrophobicContact CE1-CD2 4.41Å; F14-Y18 HydrophobicContact CE2-CD2 4.2Å; F14-Y18 AromaticContact CE2-CE2 3.6Å; F14-Y18 HydrophobicContact CE2-CE2 3.6Å; F14-Y18 HydrophobicContact CZ-CD2 4.18Å; F14-Y18 AromaticContact CZ-CE2 3.9Å; F14-Y18 HydrophobicContact CZ-CE2 3.9Å; F14-Y18 WeakPolarHBondContact O-CD2 3.22Å; F14-F68 HydrophobicContact CD1-CE2 4.34Å; F14-F68 HydrophobicContact CE1-CE2 4.11Å; F14-F68 HydrophobicContact CE1-CZ 4.26Å; F14-I71 HydrophobicContact CE1-CD1 3.96Å; F14-I71 HydrophobicContact CE1-CG2 4.21Å; F14-I71 HydrophobicContact CZ-CG2 3.85Å; F14-K75 HydrophobicContact CE2-CB 4.42Å; F14-K75 HydrophobicContact CZ-CB 4.37Å; F14-V76 HydrophobicContact CE1-CG2 4.43Å; F14-V76 HydrophobicContact CZ-CG2 4.28Å; F14-M79 HydrophobicContact CB-CG 4.07Å; F14-M79 HydrophobicContact CD1-CE 4.06Å; F14-M79 HydrophobicContact CD1-CG 4.27Å; F14-M79 HydrophobicContact CD2-CB 3.75Å; F14-M79 HydrophobicContact CD2-CG 3.66Å; F14-M79 HydrophobicContact CE1-CE 4.12Å; F14-M79 HydrophobicContact CE2-CB 3.69Å; F14-M79 HydrophobicContact CE2-CG 4.09Å; F14-M79 HydrophobicContact CG-CB 4.28Å; F14-M79 HydrophobicContact CG-CE 4.47Å; F14-M79 HydrophobicContact CG-CG 3.74Å; F14-M79 HydrophobicContact CZ-CB 4.2Å
15I90.7Very high87.9Confident0 Ų066.4 Ų66.40%035%0.354CS..Hα-helixtrans-63.9-43.4-177.4-69.4169.8000110.7L11 H12 T17 Y18 I19 A22 L24 I65 F68L11-I15 HydrophobicContact CD2-CD1 3.29Å; L11-I15 HydrophobicContact CD2-CG1 4.38Å; L11-I15 HydrophobicContact CG-CD1 3.79Å; L11-I15 HydrophobicContact CG-CG1 4.49Å; L11-I15 WeakPolarHBondContact O-CB 3.24Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.35Å; L11-I15 PolarHBondContact O-N 2.73Å; H12-I15 PolarHBondContact O-N 2.99Å; I15-T17 PolarHBondContact O-N 3.26Å; I15-T17 VanDerWaalsContact O-N 3.09Å; I15-Y18 PolarHBondContact O-N 2.98Å; I15-I19 HydrophobicContact CG2-CB 4.17Å; I15-I19 CarbonylContact O-C 3.51Å; I15-I19 WeakPolarHBondContact O-CA 3.44Å; I15-I19 PolarHBondContact O-N 3.44Å; I15-A22 HydrophobicContact CG2-CB 3.38Å; I15-L24 HydrophobicContact CB-CD2 4.33Å; I15-L24 HydrophobicContact CD1-CD2 3.53Å; I15-L24 HydrophobicContact CG2-CD2 4.17Å; I15-I65 HydrophobicContact CD1-CD1 3.41Å; I15-I65 VanDerWaalsContact CD1-CD1 3.41Å; I15-I65 HydrophobicContact CD1-CG1 4.16Å; I15-I65 HydrophobicContact CD1-CG2 4.34Å; I15-I65 HydrophobicContact CG2-CG2 4Å; I15-F68 HydrophobicContact CD1-CD2 4.24Å; I15-F68 HydrophobicContact CD1-CE2 4.18Å; I15-F68 HydrophobicContact CG1-CD2 4.06Å; I15-F68 HydrophobicContact CG1-CE2 3.9Å
16Q89.9Confident87.6Confident111 Ų11163.2 Ų63.252%0.51935%0.346SS..Hα-helixtrans-62.1-22.4179.5-167.7170.924.200113.1H12 F14H12-Q16 PolarHBondContact CE1-OE1 3.09Å; H12-Q16 WeakPolarHBondContact O-CB 3.4Å; H12-Q16 PolarHBondContact O-N 3.26Å; F14-Q16 PolarHBondContact O-N 3.29Å
17T92.1Very high87.4Confident103 Ų10362.1 Ų62.163%0.63234%0.34SS*.Hα-helixtrans-72-33.3175.8-57.50000112.3E13 F14 I15E13-T17 PolarHBondContact O-N 3.23Å; E13-T17 PolarHBondContact O-OG1 3.13Å; F14-T17 VanDerWaalsContact O-CB 3.3Å; F14-T17 WeakPolarHBondContact O-CB 3.46Å; F14-T17 PolarHBondContact O-N 3.44Å; F14-T17 VanDerWaalsContact O-N 3.13Å; I15-T17 PolarHBondContact O-N 3.26Å; I15-T17 VanDerWaalsContact O-N 3.09Å
18Y89.1Confident87.3Confident108 Ų10865.8 Ų65.842%0.42436%0.36SS..Hα-helixtrans-105.6-30.5-176.8-66.5-82.5000113.3F14 I15 I71F14-Y18 HydrophobicContact CD2-CD2 4.46Å; F14-Y18 HydrophobicContact CD2-CE2 4.03Å; F14-Y18 HydrophobicContact CE1-CD2 4.41Å; F14-Y18 HydrophobicContact CE2-CD2 4.2Å; F14-Y18 AromaticContact CE2-CE2 3.6Å; F14-Y18 HydrophobicContact CE2-CE2 3.6Å; F14-Y18 HydrophobicContact CZ-CD2 4.18Å; F14-Y18 AromaticContact CZ-CE2 3.9Å; F14-Y18 HydrophobicContact CZ-CE2 3.9Å; F14-Y18 WeakPolarHBondContact O-CD2 3.22Å; I15-Y18 PolarHBondContact O-N 2.98Å; Y18-I71 HydrophobicContact CD1-CG2 4.33Å; Y18-I71 HydrophobicContact CD2-CD1 4.3Å; Y18-I71 HydrophobicContact CD2-CG2 4.27Å; Y18-I71 HydrophobicContact CE1-CG2 4.47Å; Y18-I71 HydrophobicContact CE2-CG2 4.42Å; Y18-I71 HydrophobicContact CG-CD1 4.17Å; Y18-I71 HydrophobicContact CG-CG1 4.17Å; Y18-I71 HydrophobicContact CG-CG2 4.24Å
19I89.4Confident87.2Confident29 Ų2968.3 Ų68.315%0.14938%0.376CS..  trans-134.684.8-174.5-46.5173.4000107.9I15 D21 A22 I65 G67 F68 I71I15-I19 HydrophobicContact CG2-CB 4.17Å; I15-I19 CarbonylContact O-C 3.51Å; I15-I19 WeakPolarHBondContact O-CA 3.44Å; I15-I19 PolarHBondContact O-N 3.44Å; I19-D21 PolarHBondContact O-N 3.44Å; I19-A22 HydrophobicContact CB-CB 4.03Å; I19-A22 HydrophobicContact CG2-CB 3.75Å; I19-A22 WeakPolarHBondContact O-CB 3.49Å; I19-A22 PolarHBondContact O-N 3.49Å; I19-I65 HydrophobicContact CD1-CG2 4.03Å; I19-G67 VanDerWaalsContact CD1-C 3.4Å; I19-G67 WeakPolarHBondContact CD1-O 3.3Å; I19-F68 HydrophobicContact CD1-CB 4.44Å; I19-I71 HydrophobicContact CD1-CD1 4.22Å
20P84.1Confident87.3Confident94 Ų9470.6 Ų70.661%0.6139%0.387SS*.THydrogen-bonded Turntrans-67.4-22.7-174.426.6-34.8000113.6
21D83.3Confident87.2Confident157 Ų15770 Ų7084%0.8438%0.382SS*.THydrogen-bonded Turntrans-96.38.8-179.3-61.8-37.9000113I19 D23I19-D21 PolarHBondContact O-N 3.44Å; D21-D23 PolarHBondContact O-N 3.47Å
22A84.5Confident87.3Confident27 Ų2770.3 Ų70.322%0.22338%0.383CS..  trans-66127.5179.600000111.4I15 I19 I65I15-A22 HydrophobicContact CG2-CB 3.38Å; I19-A22 HydrophobicContact CB-CB 4.03Å; I19-A22 HydrophobicContact CG2-CB 3.75Å; I19-A22 WeakPolarHBondContact O-CB 3.49Å; I19-A22 PolarHBondContact O-N 3.49Å; A22-I65 HydrophobicContact CB-CG2 4.1Å
23D82.8Confident87.3Confident100 Ų10070.3 Ų70.354%0.53539%0.391SS..  trans-86.4110.8170.4-173.43.4000109.8D21 S25 T26D21-D23 PolarHBondContact O-N 3.47Å; D23-S25 VanDerWaalsContact OD1-CB 3.24Å; D23-S25 WeakPolarHBondContact OD1-CB 3.11Å; D23-S25 PolarHBondContact OD1-N 2.88Å; D23-S25 PolarHBondContact OD1-OG 3.24Å; D23-S25 PolarHBondContact OD2-OG 3.01Å; D23-S25 VanDerWaalsContact OD2-OG 3.12Å; D23-T26 PolarHBondContact O-OG1 2.86Å
24L80Confident87.3Confident17 Ų1769 Ų699%0.08938%0.381CS..  trans-94.61.6-178.8-64.4166.9000112.7L11 H12 I15 T26 L27 I65L11-L24 HydrophobicContact CD2-CD2 4.26Å; H12-L24 HydrophobicContact CB-CD1 3.67Å; H12-L24 WeakPolarHBondContact CD2-CD1 3.4Å; I15-L24 HydrophobicContact CB-CD2 4.33Å; I15-L24 HydrophobicContact CD1-CD2 3.53Å; I15-L24 HydrophobicContact CG2-CD2 4.17Å; L24-T26 PolarHBondContact O-N 2.89Å; L24-L27 WeakPolarHBondContact O-CB 3.26Å; L24-L27 PolarHBondContact O-N 3.19Å; L24-I65 HydrophobicContact CD2-CD1 4.33Å; L24-I65 HydrophobicContact CD2-CG1 4.27Å
25S82.1Confident87.3Confident97 Ų9767.9 Ų67.968%0.67838%0.376SS*.THydrogen-bonded Turntrans-68.7-14.7174.370.40000113.2D23 L27D23-S25 VanDerWaalsContact OD1-CB 3.24Å; D23-S25 WeakPolarHBondContact OD1-CB 3.11Å; D23-S25 PolarHBondContact OD1-N 2.88Å; D23-S25 PolarHBondContact OD1-OG 3.24Å; D23-S25 PolarHBondContact OD2-OG 3.01Å; D23-S25 VanDerWaalsContact OD2-OG 3.12Å; S25-L27 VanDerWaalsContact C-N 3.29Å
26T79.8Confident87.2Confident64 Ų6468.4 Ų68.439%0.39338%0.38SS..THydrogen-bonded Turntrans-77.4-12.5176.757.80000113.4D23 L24 D28 Y64D23-T26 PolarHBondContact O-OG1 2.86Å; L24-T26 PolarHBondContact O-N 2.89Å; T26-D28 PolarHBondContact O-N 3.43Å; T26-D28 VanDerWaalsContact O-N 3.09Å; T26-Y64 PolarHBondContact OG1-O 2.9Å
27L85.1Confident87.2Confident16 Ų1664.3 Ų64.38%0.08437%0.367CS..  trans-7597.2178.9-176.560.5000110.1L11 L24 S25 L31 L32 I35L11-L27 HydrophobicContact CD2-CD2 3.93Å; L24-L27 WeakPolarHBondContact O-CB 3.26Å; L24-L27 PolarHBondContact O-N 3.19Å; S25-L27 VanDerWaalsContact C-N 3.29Å; L27-L31 HydrophobicContact CD1-CB 3.86Å; L27-L31 HydrophobicContact CD1-CD2 3.33Å; L27-L31 HydrophobicContact CD1-CG 3.41Å; L27-L31 VanDerWaalsContact CD1-CG 3.41Å; L27-L32 HydrophobicContact CD1-CD1 4.41Å; L27-L32 HydrophobicContact CD1-CG 4.07Å; L27-L32 HydrophobicContact CD2-CD1 4.2Å; L27-L32 HydrophobicContact CD2-CD2 4.28Å; L27-L32 HydrophobicContact CD2-CG 4.07Å; L27-L32 HydrophobicContact CG-CD1 3.74Å; L27-L32 HydrophobicContact CG-CG 3.82Å; L27-I35 HydrophobicContact CD1-CD1 4.12Å
28D88.4Confident87.1Confident76 Ų7660.3 Ų60.341%0.40634%0.342SS..  trans-87.6166.5179.769.73.7000113T26 V30 L31 L32T26-D28 PolarHBondContact O-N 3.43Å; T26-D28 VanDerWaalsContact O-N 3.09Å; D28-V30 PolarHBondContact O-N 3.46Å; D28-V30 VanDerWaalsContact O-N 3.12Å; D28-V30 PolarHBondContact OD1-N 3.14Å; D28-L31 PolarHBondContact O-N 3.49Å; D28-L31 VanDerWaalsContact OD1-CB 3.25Å; D28-L31 WeakPolarHBondContact OD1-CB 3.37Å; D28-L31 PolarHBondContact OD1-N 2.97Å; D28-L32 VanDerWaalsContact O-CD1 3.32Å; D28-L32 WeakPolarHBondContact O-CD1 3.08Å; D28-L32 PolarHBondContact O-N 3.27Å
29D88.3Confident87.1Confident122 Ų12255.3 Ų55.365%0.65232%0.323SS*.Hα-helixtrans-58.8-25.5179.5-73.5-38.6000112.8S33D29-S33 VanDerWaalsContact O-CB 3.28Å; D29-S33 WeakPolarHBondContact O-CB 3.38Å; D29-S33 PolarHBondContact O-N 3.49Å
30V90.3Very high87Confident109 Ų10958.2 Ų58.266%0.66134%0.336SS*.Hα-helixtrans-70.7-49.6178.1179.50000110.2D28 S33 Y34D28-V30 PolarHBondContact O-N 3.46Å; D28-V30 VanDerWaalsContact O-N 3.12Å; D28-V30 PolarHBondContact OD1-N 3.14Å; V30-S33 WeakPolarHBondContact O-CB 3.39Å; V30-S33 PolarHBondContact O-N 3.44Å; V30-Y34 PolarHBondContact O-N 2.95Å
31L89.7Confident87Confident5 Ų558.2 Ų58.23%0.02633%0.331CS..Hα-helixtrans-65.4-41.2176.8179.156.8000111.1L27 D28 S33 Y34 I35 M60 L61 Y64L27-L31 HydrophobicContact CD1-CB 3.86Å; L27-L31 HydrophobicContact CD1-CD2 3.33Å; L27-L31 HydrophobicContact CD1-CG 3.41Å; L27-L31 VanDerWaalsContact CD1-CG 3.41Å; D28-L31 PolarHBondContact O-N 3.49Å; D28-L31 VanDerWaalsContact OD1-CB 3.25Å; D28-L31 WeakPolarHBondContact OD1-CB 3.37Å; D28-L31 PolarHBondContact OD1-N 2.97Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 3.27Å; L31-Y34 PolarHBondContact O-N 3.16Å; L31-I35 HydrophobicContact CD1-CD1 4.11Å; L31-I35 HydrophobicContact CD1-CG1 4.27Å; L31-I35 HydrophobicContact CG-CD1 3.96Å; L31-I35 VanDerWaalsContact O-CG1 3.28Å; L31-I35 WeakPolarHBondContact O-CG1 3.3Å; L31-I35 PolarHBondContact O-N 3.12Å; L31-M60 HydrophobicContact CD1-CE 3.62Å; L31-M60 HydrophobicContact CD1-SD 3.53Å; L31-M60 VanDerWaalsContact CD1-SD 3.53Å; L31-L61 HydrophobicContact CD1-CD2 4.36Å; L31-L61 HydrophobicContact CD2-CD2 4.43Å; L31-Y64 HydrophobicContact CD1-CD2 4.47Å; L31-Y64 HydrophobicContact CD1-CE2 4.27Å; L31-Y64 HydrophobicContact CD2-CD1 3.75Å; L31-Y64 HydrophobicContact CD2-CD2 3.8Å; L31-Y64 HydrophobicContact CD2-CE1 4.09Å; L31-Y64 HydrophobicContact CD2-CE2 4.15Å; L31-Y64 HydrophobicContact CD2-CG 3.6Å
32L90.1Very high87.1Confident8 Ų852 Ų524%0.04230%0.298CS..Hα-helixtrans-58.8-40.1171.6-84.2139.3000112.2H4 I7 H8 L27 D28 T36H4-L32 HydrophobicContact CB-CD2 4.13Å; H4-L32 WeakPolarHBondContact O-CD2 3.32Å; I7-L32 HydrophobicContact CB-CD2 4.34Å; I7-L32 HydrophobicContact CG2-CD2 4.18Å; H8-L32 HydrophobicContact CB-CD2 4.07Å; L27-L32 HydrophobicContact CD1-CD1 4.41Å; L27-L32 HydrophobicContact CD1-CG 4.07Å; L27-L32 HydrophobicContact CD2-CD1 4.2Å; L27-L32 HydrophobicContact CD2-CD2 4.28Å; L27-L32 HydrophobicContact CD2-CG 4.07Å; L27-L32 HydrophobicContact CG-CD1 3.74Å; L27-L32 HydrophobicContact CG-CG 3.82Å; D28-L32 VanDerWaalsContact O-CD1 3.32Å; D28-L32 WeakPolarHBondContact O-CD1 3.08Å; D28-L32 PolarHBondContact O-N 3.27Å; L32-T36 WeakPolarHBondContact O-CB 3.32Å; L32-T36 PolarHBondContact O-N 2.83Å; L32-T36 PolarHBondContact O-OG1 3.4Å
33S90.8Very high86.6Confident72 Ų7252.9 Ų52.950%0.50331%0.309SS..Hα-helixtrans-66-40.8175.7-171.60000111.8D29 V30 L31 T36 G37D29-S33 VanDerWaalsContact O-CB 3.28Å; D29-S33 WeakPolarHBondContact O-CB 3.38Å; D29-S33 PolarHBondContact O-N 3.49Å; V30-S33 WeakPolarHBondContact O-CB 3.39Å; V30-S33 PolarHBondContact O-N 3.44Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 3.27Å; S33-T36 WeakPolarHBondContact O-CB 3.32Å; S33-T36 PolarHBondContact O-N 3.16Å; S33-G37 PolarHBondContact O-N 2.85Å
34Y91.5Very high86.1Confident109 Ų10950.5 Ų50.543%0.42730%0.3SS..Hα-helixtrans-62.4-50175.3172.8-95.4000111.3V30 L31 T36 G37 V38 F57 M60V30-Y34 PolarHBondContact O-N 2.95Å; L31-Y34 PolarHBondContact O-N 3.16Å; Y34-T36 PolarHBondContact O-N 2.8Å; Y34-G37 PolarHBondContact O-N 3.19Å; Y34-V38 HydrophobicContact CD1-CG2 4.18Å; Y34-V38 HydrophobicContact CE1-CG2 3.68Å; Y34-V38 HydrophobicContact CE2-CG2 4.15Å; Y34-V38 WeakPolarHBondContact O-CG2 3.43Å; Y34-V38 PolarHBondContact O-N 3.35Å; Y34-F57 HydrophobicContact CE1-CD2 4.47Å; Y34-M60 HydrophobicContact CD1-CE 3.66Å; Y34-M60 HydrophobicContact CE1-CE 3.44Å; Y34-M60 VanDerWaalsContact CE1-CE 3.44Å
35I90.9Very high84.9Confident1 Ų159 Ų591%0.00534%0.339CS..Hα-helixtrans-59.6-39.2177.6-65.1165.1000110.4I7 L11 L27 L31 G37 V38 L39 F57 L61I7-I35 HydrophobicContact CG2-CG2 3.76Å; L11-I35 HydrophobicContact CD1-CD1 3.92Å; L27-I35 HydrophobicContact CD1-CD1 4.12Å; L31-I35 HydrophobicContact CD1-CD1 4.11Å; L31-I35 HydrophobicContact CD1-CG1 4.27Å; L31-I35 HydrophobicContact CG-CD1 3.96Å; L31-I35 VanDerWaalsContact O-CG1 3.28Å; L31-I35 WeakPolarHBondContact O-CG1 3.3Å; L31-I35 PolarHBondContact O-N 3.12Å; I35-G37 PolarHBondContact O-N 2.95Å; I35-V38 PolarHBondContact O-N 2.86Å; I35-L39 HydrophobicContact CG2-CD1 3.71Å; I35-L39 HydrophobicContact CG2-CG 4.37Å; I35-L39 WeakPolarHBondContact O-CB 3.46Å; I35-L39 WeakPolarHBondContact O-CD1 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.25Å; I35-L39 PolarHBondContact O-N 2.95Å; I35-F57 HydrophobicContact CG1-CE2 4.28Å; I35-L61 HydrophobicContact CD1-CD2 4.25Å
36T89.8Confident83.5Confident12 Ų1262.3 Ų62.37%0.07434%0.344CS..Hα-helixtrans-60.3-44.5174.7-56.90000111.6L3 I7 L32 S33 Y34 L39 E40L3-T36 HydrophobicContact CD2-CG2 3.96Å; I7-T36 HydrophobicContact CD1-CG2 4.25Å; I7-T36 WeakPolarHBondContact CD1-OG1 3.41Å; L32-T36 WeakPolarHBondContact O-CB 3.32Å; L32-T36 PolarHBondContact O-N 2.83Å; L32-T36 PolarHBondContact O-OG1 3.4Å; S33-T36 WeakPolarHBondContact O-CB 3.32Å; S33-T36 PolarHBondContact O-N 3.16Å; Y34-T36 PolarHBondContact O-N 2.8Å; T36-L39 PolarHBondContact O-N 3.38Å; T36-E40 WeakPolarHBondContact O-CG 3.18Å; T36-E40 PolarHBondContact O-N 3.33Å
37G88.9Confident82.2Confident24 Ų2460.2 Ų60.225%0.24733%0.332CS..Hα-helixtrans-60.3-49175.700000112.2S33 Y34 I35 L39 E40 D41S33-G37 PolarHBondContact O-N 2.85Å; Y34-G37 PolarHBondContact O-N 3.19Å; I35-G37 PolarHBondContact O-N 2.95Å; G37-L39 PolarHBondContact O-N 2.99Å; G37-E40 WeakPolarHBondContact O-CA 3.21Å; G37-E40 WeakPolarHBondContact O-CB 3.49Å; G37-E40 PolarHBondContact O-N 3.26Å; G37-D41 PolarHBondContact O-N 3.05Å
38V90.1Very high80.5Confident20 Ų2066.9 Ų66.912%0.12137%0.366CS..Hα-helixtrans-56.5-39.6176.4174.60000111.8Y34 I35 L42 F52 M80Y34-V38 HydrophobicContact CD1-CG2 4.18Å; Y34-V38 HydrophobicContact CE1-CG2 3.68Å; Y34-V38 HydrophobicContact CE2-CG2 4.15Å; Y34-V38 WeakPolarHBondContact O-CG2 3.43Å; Y34-V38 PolarHBondContact O-N 3.35Å; I35-V38 PolarHBondContact O-N 2.86Å; V38-L42 HydrophobicContact CG1-CD1 4.13Å; V38-L42 WeakPolarHBondContact O-CB 3.32Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.42Å; V38-L42 PolarHBondContact O-N 3.38Å; V38-F52 HydrophobicContact CG1-CD2 4.04Å; V38-F52 HydrophobicContact CG1-CE2 3.56Å; V38-M80 HydrophobicContact CB-CE 4.45Å; V38-M80 HydrophobicContact CG1-CE 3.68Å
39L89.8Confident78.6Confident3 Ų371.9 Ų71.92%0.01639%0.387CS..Hα-helixtrans-74.9-28.8177.9-69.2163.3000113.5I7 I35 T36 G37 L42 G43 M80 L83 A84 L87I7-L39 HydrophobicContact CD1-CD1 4.14Å; I7-L39 HydrophobicContact CG1-CD1 4.08Å; I35-L39 HydrophobicContact CG2-CD1 3.71Å; I35-L39 HydrophobicContact CG2-CG 4.37Å; I35-L39 WeakPolarHBondContact O-CB 3.46Å; I35-L39 WeakPolarHBondContact O-CD1 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.25Å; I35-L39 PolarHBondContact O-N 2.95Å; T36-L39 PolarHBondContact O-N 3.38Å; G37-L39 PolarHBondContact O-N 2.99Å; L39-L42 HydrophobicContact CD2-CD1 4.38Å; L39-G43 PolarHBondContact O-N 2.9Å; L39-M80 HydrophobicContact CD2-CE 3.53Å; L39-M80 VanDerWaalsContact CD2-O 3.32Å; L39-M80 WeakPolarHBondContact CD2-O 3.32Å; L39-M80 HydrophobicContact CD2-SD 3.98Å; L39-M80 HydrophobicContact CG-CE 3.82Å; L39-L83 HydrophobicContact CD1-CD2 3.37Å; L39-L83 HydrophobicContact CD1-CG 4.43Å; L39-L83 HydrophobicContact CD2-CB 4.11Å; L39-L83 HydrophobicContact CD2-CD2 4.17Å; L39-L83 HydrophobicContact CG-CD2 4.4Å; L39-A84 HydrophobicContact CD2-CB 4Å; L39-L87 HydrophobicContact CB-CD1 4.08Å; L39-L87 HydrophobicContact CD1-CD1 3.83Å
40E86.7Confident77.2Confident90 Ų9073.3 Ų73.342%0.42139%0.389SS..Hα-helixtrans-66.2-44.1171.9-79.9175.9176.600110.8T36 G37 G43 S44 R91T36-E40 WeakPolarHBondContact O-CG 3.18Å; T36-E40 PolarHBondContact O-N 3.33Å; G37-E40 WeakPolarHBondContact O-CA 3.21Å; G37-E40 WeakPolarHBondContact O-CB 3.49Å; G37-E40 PolarHBondContact O-N 3.26Å; E40-G43 PolarHBondContact O-N 2.86Å; E40-S44 PolarHBondContact O-N 3.09Å; E40-R91 VanDerWaalsContact CD-NH2 3.3Å; E40-R91 IonicContact OE1-CZ 3.78Å; E40-R91 IonicContact OE1-NH2 3.78Å; E40-R91 PolarHBondContact OE1-NH2 3.05Å
41D84.9Confident76.1Confident93 Ų9375.4 Ų75.450%0.49740%0.397SS..Hα-helixtrans-61.5-54.4175.8-61.8-24.5000109.1G37 G43 S44 S47G37-D41 PolarHBondContact O-N 3.05Å; D41-G43 PolarHBondContact O-N 3.08Å; D41-G43 VanDerWaalsContact O-N 3.15Å; D41-S44 PolarHBondContact O-N 3.44Å; D41-S44 VanDerWaalsContact O-N 3.08Å; D41-S44 PolarHBondContact O-OG 3.37Å; D41-S47 WeakPolarHBondContact O-CB 3.44Å; D41-S47 PolarHBondContact O-OG 3.18Å
42L84.2Confident75.9Confident28 Ų2877.4 Ų77.415%0.14741%0.406CS..Hα-helixtrans-55.9-31.6176.6-78.7170.6000114.8V38 L39 F52 M80 F81 A84V38-L42 HydrophobicContact CG1-CD1 4.13Å; V38-L42 WeakPolarHBondContact O-CB 3.32Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.42Å; V38-L42 PolarHBondContact O-N 3.38Å; L39-L42 HydrophobicContact CD2-CD1 4.38Å; L42-F52 HydrophobicContact CD1-CD2 4.06Å; L42-F52 HydrophobicContact CD1-CE2 4.24Å; L42-F52 HydrophobicContact CD1-CG 4.3Å; L42-F52 HydrophobicContact CD2-CB 3.6Å; L42-F52 HydrophobicContact CD2-CD1 4.46Å; L42-F52 HydrophobicContact CD2-CD2 4.17Å; L42-F52 HydrophobicContact CD2-CG 3.83Å; L42-F52 HydrophobicContact CG-CD2 4.3Å; L42-F52 HydrophobicContact CG-CG 4.43Å; L42-M80 HydrophobicContact CD1-CB 4.04Å; L42-M80 HydrophobicContact CD1-CE 3.87Å; L42-F81 HydrophobicContact CD2-CD1 4.46Å; L42-F81 HydrophobicContact CD2-CE1 3.81Å; L42-F81 HydrophobicContact CD2-CZ 4.21Å; L42-A84 HydrophobicContact CB-CB 4.25Å
43G74.4Confident75.8Confident45 Ų4581.3 Ų81.346%0.46443%0.427SS..Hα-helixtrans-85.1-11.2-179.100000114.5L39 E40 D41L39-G43 PolarHBondContact O-N 2.9Å; E40-G43 PolarHBondContact O-N 2.86Å; D41-G43 PolarHBondContact O-N 3.08Å; D41-G43 VanDerWaalsContact O-N 3.15Å
44S72.3Confident75.8Confident49 Ų4978.9 Ų78.934%0.34341%0.409SS..SBendtrans-80.6140.5-179.474.30000111.5E40 D41 Q46 S47E40-S44 PolarHBondContact O-N 3.09Å; D41-S44 PolarHBondContact O-N 3.44Å; D41-S44 VanDerWaalsContact O-N 3.08Å; D41-S44 PolarHBondContact O-OG 3.37Å; S44-Q46 PolarHBondContact O-N 3.39Å; S44-S47 PolarHBondContact O-N 3.31Å; S44-S47 PolarHBondContact O-OG 3.48Å; S44-S47 WeakPolarHBondContact OG-CB 3.39Å; S44-S47 PolarHBondContact OG-OG 2.91Å
45Q55.8Low75.8Confident196 Ų19679.1 Ų79.192%0.91641%0.414SS*.THydrogen-bonded Turntrans-64.5-10.1177.9-79.6175.9-37.600113.7
46Q51Low75.8Confident167 Ų16782.6 Ų82.678%0.7844%0.435SS*.THydrogen-bonded Turntrans-89.8-18.1-177.8-149.176.727.400112.8S44S44-Q46 PolarHBondContact O-N 3.39Å
47S52.6Low75.9Confident19 Ų1982.1 Ų82.113%0.13343%0.432CS..G310 helixtrans-93.12.5-169.363.70000115.6D41 S44 E49 E50D41-S47 WeakPolarHBondContact O-CB 3.44Å; D41-S47 PolarHBondContact O-OG 3.18Å; S44-S47 PolarHBondContact O-N 3.31Å; S44-S47 PolarHBondContact O-OG 3.48Å; S44-S47 WeakPolarHBondContact OG-CB 3.39Å; S44-S47 PolarHBondContact OG-OG 2.91Å; S47-E49 PolarHBondContact O-N 2.94Å; S47-E49 VanDerWaalsContact O-N 3.08Å; S47-E50 PolarHBondContact O-N 2.91Å; S47-E50 VanDerWaalsContact O-N 3.09Å
48I50.6Low76.1Confident156 Ų15681.4 Ų81.480%0.842%0.424SS*.G310 helixtrans-59.8-19.5170.9-71.8169.1000111.2
49E48.1Very low76.1Confident181 Ų18187 Ų8785%0.84645%0.449SS*.G310 helixtrans-88-18.5178-129.4172.1-17400114.2S47S47-E49 PolarHBondContact O-N 2.94Å; S47-E49 VanDerWaalsContact O-N 3.08Å
50E59.2Low76.2Confident152 Ų15289 Ų8971%0.7146%0.459SS*.SBendtrans-96.1104.4171.7-85.1-173.815900109.5S47 F52S47-E50 PolarHBondContact O-N 2.91Å; S47-E50 VanDerWaalsContact O-N 3.09Å; E50-F52 PolarHBondContact O-N 3.33Å
51N67.1Low76.4Confident154 Ų15484.7 Ų84.782%0.82444%0.439SS*.  trans-55.8106.1173.5-7224.1000109.5D53N51-D53 PolarHBondContact O-N 3Å
52F84.2Confident76.8Confident46 Ų4683.3 Ų83.320%0.20243%0.429CS..  trans-54.7115.6170.2168.6-111.5000109.8V38 L42 E50 V54 F57 M80V38-F52 HydrophobicContact CG1-CD2 4.04Å; V38-F52 HydrophobicContact CG1-CE2 3.56Å; L42-F52 HydrophobicContact CD1-CD2 4.06Å; L42-F52 HydrophobicContact CD1-CE2 4.24Å; L42-F52 HydrophobicContact CD1-CG 4.3Å; L42-F52 HydrophobicContact CD2-CB 3.6Å; L42-F52 HydrophobicContact CD2-CD1 4.46Å; L42-F52 HydrophobicContact CD2-CD2 4.17Å; L42-F52 HydrophobicContact CD2-CG 3.83Å; L42-F52 HydrophobicContact CG-CD2 4.3Å; L42-F52 HydrophobicContact CG-CG 4.43Å; E50-F52 PolarHBondContact O-N 3.33Å; F52-V54 HydrophobicContact CD1-CB 4.14Å; F52-V54 HydrophobicContact CE1-CB 3.74Å; F52-V54 HydrophobicContact CE1-CG2 4.07Å; F52-V54 PolarHBondContact O-N 3.35Å; F52-V54 VanDerWaalsContact O-N 3.09Å; F52-F57 HydrophobicContact CE2-CB 3.99Å; F52-F57 HydrophobicContact CE2-CD2 4.36Å; F52-F57 HydrophobicContact CE2-CG 4.11Å; F52-F57 HydrophobicContact CZ-CB 3.76Å; F52-F57 AromaticContact CZ-CD1 3.91Å; F52-F57 HydrophobicContact CZ-CD1 3.91Å; F52-F57 HydrophobicContact CZ-CD2 4.34Å; F52-F57 AromaticContact CZ-CG 3.75Å; F52-F57 HydrophobicContact CZ-CG 3.75Å; F52-M80 HydrophobicContact CE1-CB 4.48Å; F52-M80 HydrophobicContact CE1-CG 4.31Å; F52-M80 HydrophobicContact CE2-CE 4.39Å; F52-M80 HydrophobicContact CZ-CE 4.24Å; F52-M80 HydrophobicContact CZ-CG 4.09Å
53D88.8Confident77.1Confident90 Ų9086 Ų8648%0.48146%0.455SS..  trans-8388.3179.8-163-29.3000109.8N51 E55 V56 F57N51-D53 PolarHBondContact O-N 3Å; D53-E55 PolarHBondContact O-N 2.83Å; D53-E55 PolarHBondContact OD1-N 2.94Å; D53-V56 HydrophobicContact CB-CB 4.14Å; D53-V56 HydrophobicContact CB-CG2 4.2Å; D53-V56 VanDerWaalsContact CG-CG2 3.41Å; D53-V56 PolarHBondContact O-N 2.97Å; D53-V56 PolarHBondContact OD1-N 3.05Å; D53-V56 VanDerWaalsContact OD1-N 3.08Å; D53-V56 WeakPolarHBondContact OD2-CG2 3.28Å; D53-F57 PolarHBondContact O-N 3.31Å
54V90.8Very high77.8Confident21 Ų2188.5 Ų88.513%0.12745%0.452CS..Hα-helixtrans-63-29.6178.563.30000112.7F52 G58 V76 C77F52-V54 HydrophobicContact CD1-CB 4.14Å; F52-V54 HydrophobicContact CE1-CB 3.74Å; F52-V54 HydrophobicContact CE1-CG2 4.07Å; F52-V54 PolarHBondContact O-N 3.35Å; F52-V54 VanDerWaalsContact O-N 3.09Å; V54-G58 PolarHBondContact O-N 2.9Å; V54-V76 HydrophobicContact CG2-CB 3.85Å; V54-V76 HydrophobicContact CG2-CG1 3.8Å; V54-C77 VanDerWaalsContact CB-SG 3.58Å
55E91Very high78.6Confident114 Ų11486.3 Ų86.353%0.53344%0.436SS..Hα-helixtrans-71.2-45.9-179.1-57.5-62.6132.400109.4D53 F57 G58 E59 S73D53-E55 PolarHBondContact O-N 2.83Å; D53-E55 PolarHBondContact OD1-N 2.94Å; E55-F57 VanDerWaalsContact C-N 3.34Å; E55-F57 PolarHBondContact O-N 3.19Å; E55-G58 PolarHBondContact O-N 2.91Å; E55-E59 WeakPolarHBondContact O-CB 3.45Å; E55-E59 WeakPolarHBondContact O-CG 3.36Å; E55-E59 PolarHBondContact O-N 3.21Å; E55-S73 WeakPolarHBondContact OE1-CB 3.35Å
56V91.2Very high80.2Confident74 Ų7481.5 Ų81.545%0.44842%0.422SS..Hα-helixtrans-63.7-40.4174.7174.10000111.7D53 E59 M60D53-V56 HydrophobicContact CB-CB 4.14Å; D53-V56 HydrophobicContact CB-CG2 4.2Å; D53-V56 VanDerWaalsContact CG-CG2 3.41Å; D53-V56 PolarHBondContact O-N 2.97Å; D53-V56 PolarHBondContact OD1-N 3.05Å; D53-V56 VanDerWaalsContact OD1-N 3.08Å; D53-V56 WeakPolarHBondContact OD2-CG2 3.28Å; V56-E59 PolarHBondContact O-N 3.4Å; V56-M60 WeakPolarHBondContact O-CB 3.41Å; V56-M60 PolarHBondContact O-N 2.68Å
57F92.4Very high81.9Confident3 Ų374.3 Ų74.31%0.01339%0.392CS..Hα-helixtrans-63.2-42.7175.7177.9-101.8000112.1Y34 I35 F52 D53 E55 M60 L61 F68 V76 M80Y34-F57 HydrophobicContact CE1-CD2 4.47Å; I35-F57 HydrophobicContact CG1-CE2 4.28Å; F52-F57 HydrophobicContact CE2-CB 3.99Å; F52-F57 HydrophobicContact CE2-CD2 4.36Å; F52-F57 HydrophobicContact CE2-CG 4.11Å; F52-F57 HydrophobicContact CZ-CB 3.76Å; F52-F57 AromaticContact CZ-CD1 3.91Å; F52-F57 HydrophobicContact CZ-CD1 3.91Å; F52-F57 HydrophobicContact CZ-CD2 4.34Å; F52-F57 AromaticContact CZ-CG 3.75Å; F52-F57 HydrophobicContact CZ-CG 3.75Å; D53-F57 PolarHBondContact O-N 3.31Å; E55-F57 VanDerWaalsContact C-N 3.34Å; E55-F57 PolarHBondContact O-N 3.19Å; F57-M60 HydrophobicContact CD2-CE 4.31Å; F57-M60 HydrophobicContact CE2-CE 4.32Å; F57-M60 PolarHBondContact O-N 3.27Å; F57-L61 HydrophobicContact CD1-CD1 3.99Å; F57-L61 HydrophobicContact CE1-CD1 3.29Å; F57-L61 HydrophobicContact CE1-CG 4.28Å; F57-L61 HydrophobicContact CE2-CD1 4.1Å; F57-L61 HydrophobicContact CE2-CG 4.44Å; F57-L61 HydrophobicContact CZ-CD1 3.36Å; F57-L61 HydrophobicContact CZ-CG 4.17Å; F57-L61 PolarHBondContact O-N 3.44Å; F57-F68 HydrophobicContact CE1-CE1 4.47Å; F57-F68 HydrophobicContact CE1-CZ 4.47Å; F57-V76 HydrophobicContact CD1-CG1 3.85Å; F57-V76 HydrophobicContact CE1-CG1 3.92Å; F57-M80 HydrophobicContact CE1-CE 4.25Å; F57-M80 HydrophobicContact CE1-CG 4.08Å; F57-M80 HydrophobicContact CE1-SD 3.76Å; F57-M80 HydrophobicContact CE2-CE 3.9Å; F57-M80 HydrophobicContact CE2-SD 4.31Å; F57-M80 HydrophobicContact CZ-CE 3.71Å; F57-M80 HydrophobicContact CZ-CG 4.41Å; F57-M80 HydrophobicContact CZ-SD 3.51Å; F57-M80 VanDerWaalsContact CZ-SD 3.51Å
58G92.1Very high83.8Confident8 Ų873.5 Ų73.58%0.08239%0.387CS..Hα-helixtrans-64.2-45.117600000112.6V54 E55 M60 L61 E62V54-G58 PolarHBondContact O-N 2.9Å; E55-G58 PolarHBondContact O-N 2.91Å; G58-M60 VanDerWaalsContact C-N 3.32Å; G58-M60 PolarHBondContact O-N 3.32Å; G58-L61 PolarHBondContact O-N 2.98Å; G58-E62 WeakPolarHBondContact O-CB 3.46Å; G58-E62 PolarHBondContact O-N 3.5Å
59E91.8Very high85.7Confident139 Ų13968.9 Ų68.965%0.6537%0.372SS*.Hα-helixtrans-60-41175.2-76.3-177.5-176.300112.1E55 V56 E62E55-E59 WeakPolarHBondContact O-CB 3.45Å; E55-E59 WeakPolarHBondContact O-CG 3.36Å; E55-E59 PolarHBondContact O-N 3.21Å; V56-E59 PolarHBondContact O-N 3.4Å; E59-E62 PolarHBondContact O-N 2.9Å
60M91.6Very high87.8Confident44 Ų4468.7 Ų68.722%0.21737%0.371CS..Hα-helixtrans-64-46.8175.8-177.2-72.6-67.400110.7L31 Y34 V56 F57 G58 E62 A63 Y64L31-M60 HydrophobicContact CD1-CE 3.62Å; L31-M60 HydrophobicContact CD1-SD 3.53Å; L31-M60 VanDerWaalsContact CD1-SD 3.53Å; Y34-M60 HydrophobicContact CD1-CE 3.66Å; Y34-M60 HydrophobicContact CE1-CE 3.44Å; Y34-M60 VanDerWaalsContact CE1-CE 3.44Å; V56-M60 WeakPolarHBondContact O-CB 3.41Å; V56-M60 PolarHBondContact O-N 2.68Å; F57-M60 HydrophobicContact CD2-CE 4.31Å; F57-M60 HydrophobicContact CE2-CE 4.32Å; F57-M60 PolarHBondContact O-N 3.27Å; G58-M60 VanDerWaalsContact C-N 3.32Å; G58-M60 PolarHBondContact O-N 3.32Å; M60-E62 VanDerWaalsContact C-N 3.33Å; M60-E62 PolarHBondContact O-N 2.83Å; M60-A63 WeakPolarHBondContact O-CB 3.19Å; M60-A63 PolarHBondContact O-N 3.1Å; M60-Y64 WeakPolarHBondContact O-CD2 3.31Å; M60-Y64 HydrophobicContact SD-CD2 4Å; M60-Y64 HydrophobicContact SD-CE2 3.74Å
61L91.1Very high89.3Confident0 Ų062.3 Ų62.30%034%0.341CS..Hα-helixtrans-67.5-30.8179.7-78-178.4000113.3L31 I35 F57 G58 A63 Y64 I65 F68L31-L61 HydrophobicContact CD1-CD2 4.36Å; L31-L61 HydrophobicContact CD2-CD2 4.43Å; I35-L61 HydrophobicContact CD1-CD2 4.25Å; F57-L61 HydrophobicContact CD1-CD1 3.99Å; F57-L61 HydrophobicContact CE1-CD1 3.29Å; F57-L61 HydrophobicContact CE1-CG 4.28Å; F57-L61 HydrophobicContact CE2-CD1 4.1Å; F57-L61 HydrophobicContact CE2-CG 4.44Å; F57-L61 HydrophobicContact CZ-CD1 3.36Å; F57-L61 HydrophobicContact CZ-CG 4.17Å; F57-L61 PolarHBondContact O-N 3.44Å; G58-L61 PolarHBondContact O-N 2.98Å; L61-A63 PolarHBondContact O-N 3.07Å; L61-Y64 PolarHBondContact O-N 2.87Å; L61-I65 HydrophobicContact CD2-CD1 4.27Å; L61-I65 PolarHBondContact O-N 2.91Å; L61-F68 HydrophobicContact CB-CB 4.43Å; L61-F68 HydrophobicContact CB-CD1 3.48Å; L61-F68 VanDerWaalsContact CB-CD1 3.48Å; L61-F68 HydrophobicContact CB-CD2 4.45Å; L61-F68 HydrophobicContact CB-CE1 3.81Å; L61-F68 HydrophobicContact CB-CG 3.86Å; L61-F68 HydrophobicContact CB-CZ 4.41Å; L61-F68 HydrophobicContact CD1-CD1 3.93Å; L61-F68 HydrophobicContact CD1-CD2 4.39Å; L61-F68 HydrophobicContact CD1-CE1 3.34Å; L61-F68 HydrophobicContact CD1-CE2 3.86Å; L61-F68 HydrophobicContact CD1-CG 4.42Å; L61-F68 HydrophobicContact CD1-CZ 3.31Å; L61-F68 HydrophobicContact CG-CD1 4.37Å; L61-F68 HydrophobicContact CG-CE1 4.21Å; L61-F68 HydrophobicContact CG-CZ 4.5Å
62E92Very high90.6Very high64 Ų6459.3 Ų59.330%0.29933%0.325SS..Hα-helixtrans-56.6-33.2174.5-177.962.4-154.200112.4G58 E59 M60 Y64 I65 P66 G67 F68 A69G58-E62 WeakPolarHBondContact O-CB 3.46Å; G58-E62 PolarHBondContact O-N 3.5Å; E59-E62 PolarHBondContact O-N 2.9Å; M60-E62 VanDerWaalsContact C-N 3.33Å; M60-E62 PolarHBondContact O-N 2.83Å; E62-Y64 PolarHBondContact O-N 3.32Å; E62-I65 WeakPolarHBondContact CA-O 3.28Å; E62-I65 CarbonylContact O-C 3.54Å; E62-P66 WeakPolarHBondContact OE1-CA 3.33Å; E62-G67 VanDerWaalsContact CD-N 3.26Å; E62-G67 PolarHBondContact OE1-N 3.39Å; E62-G67 VanDerWaalsContact OE2-C 3.3Å; E62-G67 WeakPolarHBondContact OE2-CA 3.44Å; E62-G67 PolarHBondContact OE2-N 2.84Å; E62-F68 PolarHBondContact OE2-N 3.08Å; E62-A69 HydrophobicContact CB-CB 4.11Å; E62-A69 HydrophobicContact CG-CB 4.16Å; E62-A69 PolarHBondContact OE2-N 2.93Å
63A90.4Very high91Very high84 Ų8459 Ų5969%0.69433%0.329SS*.THydrogen-bonded Turntrans-65.4-23.1177.700000113.3M60 L61M60-A63 WeakPolarHBondContact O-CB 3.19Å; M60-A63 PolarHBondContact O-N 3.1Å; L61-A63 PolarHBondContact O-N 3.07Å
64Y88.9Confident91.1Very high98 Ų9859 Ų5938%0.38433%0.332SS..THydrogen-bonded Turntrans-106.4-35.4-179.6-63.2-90.9000112.6T26 L31 M60 L61 E62T26-Y64 PolarHBondContact OG1-O 2.9Å; L31-Y64 HydrophobicContact CD1-CD2 4.47Å; L31-Y64 HydrophobicContact CD1-CE2 4.27Å; L31-Y64 HydrophobicContact CD2-CD1 3.75Å; L31-Y64 HydrophobicContact CD2-CD2 3.8Å; L31-Y64 HydrophobicContact CD2-CE1 4.09Å; L31-Y64 HydrophobicContact CD2-CE2 4.15Å; L31-Y64 HydrophobicContact CD2-CG 3.6Å; M60-Y64 WeakPolarHBondContact O-CD2 3.31Å; M60-Y64 HydrophobicContact SD-CD2 4Å; M60-Y64 HydrophobicContact SD-CE2 3.74Å; L61-Y64 PolarHBondContact O-N 2.87Å; E62-Y64 PolarHBondContact O-N 3.32Å
65I89.6Confident91.2Very high2 Ų261.6 Ų61.61%0.0134%0.342CS..SBendtrans-125.495.2-177.7-61139.2000107.4I15 I19 A22 L24 L61 E62 G67 F68I15-I65 HydrophobicContact CD1-CD1 3.41Å; I15-I65 VanDerWaalsContact CD1-CD1 3.41Å; I15-I65 HydrophobicContact CD1-CG1 4.16Å; I15-I65 HydrophobicContact CD1-CG2 4.34Å; I15-I65 HydrophobicContact CG2-CG2 4Å; I19-I65 HydrophobicContact CD1-CG2 4.03Å; A22-I65 HydrophobicContact CB-CG2 4.1Å; L24-I65 HydrophobicContact CD2-CD1 4.33Å; L24-I65 HydrophobicContact CD2-CG1 4.27Å; L61-I65 HydrophobicContact CD2-CD1 4.27Å; L61-I65 PolarHBondContact O-N 2.91Å; E62-I65 WeakPolarHBondContact CA-O 3.28Å; E62-I65 CarbonylContact O-C 3.54Å; I65-G67 PolarHBondContact O-N 3.16Å; I65-F68 HydrophobicContact CB-CB 4.21Å; I65-F68 HydrophobicContact CG2-CB 4.16Å; I65-F68 HydrophobicContact CG2-CD2 4.38Å; I65-F68 WeakPolarHBondContact O-CB 3.4Å; I65-F68 PolarHBondContact O-N 3.42Å
66P89.7Confident91.2Very high96 Ų9656.4 Ų56.462%0.62332%0.317SS*.THydrogen-bonded Turntrans-58.8135.5178.1-24.534.4000112E62E62-P66 WeakPolarHBondContact OE1-CA 3.33Å
67G88Confident91.2Very high16 Ų1654.2 Ų54.217%0.16531%0.305CS..THydrogen-bonded Turntrans84.91.9-177.100000114.6I19 E62 I65 A69 E70I19-G67 VanDerWaalsContact CD1-C 3.4Å; I19-G67 WeakPolarHBondContact CD1-O 3.3Å; E62-G67 VanDerWaalsContact CD-N 3.26Å; E62-G67 PolarHBondContact OE1-N 3.39Å; E62-G67 VanDerWaalsContact OE2-C 3.3Å; E62-G67 WeakPolarHBondContact OE2-CA 3.44Å; E62-G67 PolarHBondContact OE2-N 2.84Å; I65-G67 PolarHBondContact O-N 3.16Å; G67-A69 VanDerWaalsContact C-N 3.34Å; G67-E70 WeakPolarHBondContact O-CB 3.39Å; G67-E70 PolarHBondContact O-N 3.48Å
68F91.4Very high91.2Very high2 Ų259.4 Ų59.41%0.00933%0.329CS..G310 helixtrans-64.9-36.9176-169.3-87.3000112.4F14 I15 I19 F57 L61 E62 I65 E70 I71 V76F14-F68 HydrophobicContact CD1-CE2 4.34Å; F14-F68 HydrophobicContact CE1-CE2 4.11Å; F14-F68 HydrophobicContact CE1-CZ 4.26Å; I15-F68 HydrophobicContact CD1-CD2 4.24Å; I15-F68 HydrophobicContact CD1-CE2 4.18Å; I15-F68 HydrophobicContact CG1-CD2 4.06Å; I15-F68 HydrophobicContact CG1-CE2 3.9Å; I19-F68 HydrophobicContact CD1-CB 4.44Å; F57-F68 HydrophobicContact CE1-CE1 4.47Å; F57-F68 HydrophobicContact CE1-CZ 4.47Å; L61-F68 HydrophobicContact CB-CB 4.43Å; L61-F68 HydrophobicContact CB-CD1 3.48Å; L61-F68 VanDerWaalsContact CB-CD1 3.48Å; L61-F68 HydrophobicContact CB-CD2 4.45Å; L61-F68 HydrophobicContact CB-CE1 3.81Å; L61-F68 HydrophobicContact CB-CG 3.86Å; L61-F68 HydrophobicContact CB-CZ 4.41Å; L61-F68 HydrophobicContact CD1-CD1 3.93Å; L61-F68 HydrophobicContact CD1-CD2 4.39Å; L61-F68 HydrophobicContact CD1-CE1 3.34Å; L61-F68 HydrophobicContact CD1-CE2 3.86Å; L61-F68 HydrophobicContact CD1-CG 4.42Å; L61-F68 HydrophobicContact CD1-CZ 3.31Å; L61-F68 HydrophobicContact CG-CD1 4.37Å; L61-F68 HydrophobicContact CG-CE1 4.21Å; L61-F68 HydrophobicContact CG-CZ 4.5Å; E62-F68 PolarHBondContact OE2-N 3.08Å; I65-F68 HydrophobicContact CB-CB 4.21Å; I65-F68 HydrophobicContact CG2-CB 4.16Å; I65-F68 HydrophobicContact CG2-CD2 4.38Å; I65-F68 WeakPolarHBondContact O-CB 3.4Å; I65-F68 PolarHBondContact O-N 3.42Å; F68-E70 PolarHBondContact O-N 2.72Å; F68-I71 HydrophobicContact CD2-CD1 3.86Å; F68-I71 HydrophobicContact CE2-CD1 4.04Å; F68-I71 HydrophobicContact CG-CD1 4.34Å; F68-I71 WeakPolarHBondContact O-CB 3.32Å; F68-I71 WeakPolarHBondContact O-CG1 3.32Å; F68-I71 PolarHBondContact O-N 2.87Å; F68-I71 VanDerWaalsContact O-N 3.14Å; F68-V76 HydrophobicContact CE1-CG1 4.23Å; F68-V76 HydrophobicContact CE1-CG2 4.19Å; F68-V76 HydrophobicContact CZ-CG1 4.25Å; F68-V76 HydrophobicContact CZ-CG2 4.24Å
69A90.8Very high91.2Very high59 Ų5959.7 Ų59.749%0.48833%0.329SS..G310 helixtrans-67.6-13177.200000113.7E62 G67 I71E62-A69 HydrophobicContact CB-CB 4.11Å; E62-A69 HydrophobicContact CG-CB 4.16Å; E62-A69 PolarHBondContact OE2-N 2.93Å; G67-A69 VanDerWaalsContact C-N 3.34Å; A69-I71 VanDerWaalsContact C-N 3.3Å
70E90.9Very high91.2Very high177 Ų17753.1 Ų53.183%0.82730%0.298SS*.G310 helixtrans-80.8-12.9174.9-59.5-177.3172.200112.7G67 F68G67-E70 WeakPolarHBondContact O-CB 3.39Å; G67-E70 PolarHBondContact O-N 3.48Å; F68-E70 PolarHBondContact O-N 2.72Å
71I92.3Very high91.1Very high17 Ų1756.2 Ų56.29%0.08731%0.311CS..SBendtrans-72.9135.6177.5-55.4174.7000109.2F14 Y18 I19 F68 A69 S73 K75 V76F14-I71 HydrophobicContact CE1-CD1 3.96Å; F14-I71 HydrophobicContact CE1-CG2 4.21Å; F14-I71 HydrophobicContact CZ-CG2 3.85Å; Y18-I71 HydrophobicContact CD1-CG2 4.33Å; Y18-I71 HydrophobicContact CD2-CD1 4.3Å; Y18-I71 HydrophobicContact CD2-CG2 4.27Å; Y18-I71 HydrophobicContact CE1-CG2 4.47Å; Y18-I71 HydrophobicContact CE2-CG2 4.42Å; Y18-I71 HydrophobicContact CG-CD1 4.17Å; Y18-I71 HydrophobicContact CG-CG1 4.17Å; Y18-I71 HydrophobicContact CG-CG2 4.24Å; I19-I71 HydrophobicContact CD1-CD1 4.22Å; F68-I71 HydrophobicContact CD2-CD1 3.86Å; F68-I71 HydrophobicContact CE2-CD1 4.04Å; F68-I71 HydrophobicContact CG-CD1 4.34Å; F68-I71 WeakPolarHBondContact O-CB 3.32Å; F68-I71 WeakPolarHBondContact O-CG1 3.32Å; F68-I71 PolarHBondContact O-N 2.87Å; F68-I71 VanDerWaalsContact O-N 3.14Å; A69-I71 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3Å; I71-K75 HydrophobicContact CG2-CB 4.32Å; I71-V76 HydrophobicContact CB-CG2 4.18Å; I71-V76 HydrophobicContact CG2-CG2 3.9Å
72D93.6Very high91.1Very high91 Ų9159.7 Ų59.749%0.48734%0.335SS..  trans-55.1126.6178.5-177.538.6000111.4V74 K75 V76D72-V74 PolarHBondContact O-N 3.4Å; D72-V74 VanDerWaalsContact O-N 3.16Å; D72-V74 WeakPolarHBondContact OD2-CB 3.33Å; D72-K75 HydrophobicContact CB-CB 4.44Å; D72-K75 HydrophobicContact CB-CG 4.09Å; D72-K75 WeakPolarHBondContact O-CA 3.08Å; D72-K75 WeakPolarHBondContact O-CB 3.24Å; D72-K75 PolarHBondContact O-N 3.21Å; D72-V76 PolarHBondContact O-N 3Å; D72-V76 VanDerWaalsContact O-N 3.16Å
73S92Very high91Very high41 Ų4156.8 Ų56.829%0.28732%0.321SS..Hα-helixtrans-61.3-30.2-174.459.10000112.3E55 I71 K75 V76 C77E55-S73 WeakPolarHBondContact OE1-CB 3.35Å; I71-S73 PolarHBondContact O-N 3Å; S73-K75 VanDerWaalsContact C-N 3.28Å; S73-K75 PolarHBondContact O-N 3.37Å; S73-V76 PolarHBondContact O-N 3.01Å; S73-C77 WeakPolarHBondContact O-CB 3.01Å; S73-C77 PolarHBondContact O-N 2.96Å; S73-C77 PolarHBondContact O-SG 3.29Å; S73-C77 VanDerWaalsContact O-SG 3.39Å
74V90.8Very high91Very high90 Ų9053 Ų5355%0.54529%0.29SS..Hα-helixtrans-60-39.2172.2-1750000111.3D72 E78D72-V74 PolarHBondContact O-N 3.4Å; D72-V74 VanDerWaalsContact O-N 3.16Å; D72-V74 WeakPolarHBondContact OD2-CB 3.33Å; V74-E78 WeakPolarHBondContact O-CB 3.32Å; V74-E78 PolarHBondContact O-N 3.02Å
75K92.8Very high91Very high75 Ų7552 Ų5233%0.32630%0.297SS..Hα-helixtrans-72.7-37.6179.3-65.4-70.4160.6-158.80112.3F14 I71 D72 S73 E78 M79F14-K75 HydrophobicContact CE2-CB 4.42Å; F14-K75 HydrophobicContact CZ-CB 4.37Å; I71-K75 HydrophobicContact CG2-CB 4.32Å; D72-K75 HydrophobicContact CB-CB 4.44Å; D72-K75 HydrophobicContact CB-CG 4.09Å; D72-K75 WeakPolarHBondContact O-CA 3.08Å; D72-K75 WeakPolarHBondContact O-CB 3.24Å; D72-K75 PolarHBondContact O-N 3.21Å; S73-K75 VanDerWaalsContact C-N 3.28Å; S73-K75 PolarHBondContact O-N 3.37Å; K75-E78 IonicContact NZ-OE2 2.91Å; K75-E78 PolarHBondContact NZ-OE2 3.23Å; K75-E78 PolarHBondContact O-N 2.99Å; K75-M79 WeakPolarHBondContact O-CB 3.49Å; K75-M79 PolarHBondContact O-N 3.02Å
76V92.4Very high90.9Very high4 Ų456.8 Ų56.82%0.02432%0.318CS..Hα-helixtrans-63.5-47.1173.6-179.30000110.2F14 V54 F57 F68 I71 D72 S73 M79 M80F14-V76 HydrophobicContact CE1-CG2 4.43Å; F14-V76 HydrophobicContact CZ-CG2 4.28Å; V54-V76 HydrophobicContact CG2-CB 3.85Å; V54-V76 HydrophobicContact CG2-CG1 3.8Å; F57-V76 HydrophobicContact CD1-CG1 3.85Å; F57-V76 HydrophobicContact CE1-CG1 3.92Å; F68-V76 HydrophobicContact CE1-CG1 4.23Å; F68-V76 HydrophobicContact CE1-CG2 4.19Å; F68-V76 HydrophobicContact CZ-CG1 4.25Å; F68-V76 HydrophobicContact CZ-CG2 4.24Å; I71-V76 HydrophobicContact CB-CG2 4.18Å; I71-V76 HydrophobicContact CG2-CG2 3.9Å; D72-V76 PolarHBondContact O-N 3Å; D72-V76 VanDerWaalsContact O-N 3.16Å; S73-V76 PolarHBondContact O-N 3.01Å; V76-M79 HydrophobicContact CG1-CE 4.4Å; V76-M79 PolarHBondContact O-N 3.22Å; V76-M80 HydrophobicContact CG1-CG 4.45Å; V76-M80 VanDerWaalsContact O-CG 3.3Å; V76-M80 WeakPolarHBondContact O-CG 3.5Å; V76-M80 PolarHBondContact O-N 2.89Å
77C91Very high90.9Very high28 Ų2852.3 Ų52.319%0.18929%0.289CS..Hα-helixtrans-57.9-49.9174.3-76.30000112.4V54 S73 M79 M80 F81V54-C77 VanDerWaalsContact CB-SG 3.58Å; S73-C77 WeakPolarHBondContact O-CB 3.01Å; S73-C77 PolarHBondContact O-N 2.96Å; S73-C77 PolarHBondContact O-SG 3.29Å; S73-C77 VanDerWaalsContact O-SG 3.39Å; C77-M79 VanDerWaalsContact C-N 3.29Å; C77-M79 PolarHBondContact O-N 2.82Å; C77-M80 PolarHBondContact O-N 2.91Å; C77-M80 VanDerWaalsContact O-N 3.16Å; C77-F81 HydrophobicContact CB-CD2 4.39Å; C77-F81 HydrophobicContact CB-CE2 4.26Å; C77-F81 WeakPolarHBondContact O-CD2 3.34Å; C77-F81 PolarHBondContact O-N 3.37Å
78E91.6Very high90.7Very high112 Ų11253.5 Ų53.552%0.52330%0.297SS..Hα-helixtrans-55.7-45.4178.7-175178.2-173.600111.2V74 K75 S82V74-E78 WeakPolarHBondContact O-CB 3.32Å; V74-E78 PolarHBondContact O-N 3.02Å; K75-E78 IonicContact NZ-OE2 2.91Å; K75-E78 PolarHBondContact NZ-OE2 3.23Å; K75-E78 PolarHBondContact O-N 2.99Å; E78-S82 WeakPolarHBondContact O-CB 3.38Å; E78-S82 PolarHBondContact O-N 2.91Å; E78-S82 PolarHBondContact O-OG 2.85Å
79M92.6Very high90.4Very high15 Ų1557.6 Ų57.67%0.07432%0.322CS..Hα-helixtrans-61-50.4175.1177.4-83.6-62.800111.3F14 K75 V76 C77 F81 S82 L83F14-M79 HydrophobicContact CB-CG 4.07Å; F14-M79 HydrophobicContact CD1-CE 4.06Å; F14-M79 HydrophobicContact CD1-CG 4.27Å; F14-M79 HydrophobicContact CD2-CB 3.75Å; F14-M79 HydrophobicContact CD2-CG 3.66Å; F14-M79 HydrophobicContact CE1-CE 4.12Å; F14-M79 HydrophobicContact CE2-CB 3.69Å; F14-M79 HydrophobicContact CE2-CG 4.09Å; F14-M79 HydrophobicContact CG-CB 4.28Å; F14-M79 HydrophobicContact CG-CE 4.47Å; F14-M79 HydrophobicContact CG-CG 3.74Å; F14-M79 HydrophobicContact CZ-CB 4.2Å; K75-M79 WeakPolarHBondContact O-CB 3.49Å; K75-M79 PolarHBondContact O-N 3.02Å; V76-M79 HydrophobicContact CG1-CE 4.4Å; V76-M79 PolarHBondContact O-N 3.22Å; C77-M79 VanDerWaalsContact C-N 3.29Å; C77-M79 PolarHBondContact O-N 2.82Å; M79-F81 PolarHBondContact O-N 3.03Å; M79-S82 PolarHBondContact O-N 2.94Å; M79-S82 PolarHBondContact O-OG 3.49Å; M79-L83 WeakPolarHBondContact O-CB 3.29Å; M79-L83 PolarHBondContact O-N 3.01Å; M79-L83 HydrophobicContact SD-CD1 4.01Å
80M91.4Very high90Very high1 Ų156.1 Ų56.11%0.00531%0.311CS..Hα-helixtrans-60-44.5-179.2-71.9-62.9-72.800112.6V38 L39 L42 F52 F57 V76 C77 L83 A84V38-M80 HydrophobicContact CB-CE 4.45Å; V38-M80 HydrophobicContact CG1-CE 3.68Å; L39-M80 HydrophobicContact CD2-CE 3.53Å; L39-M80 VanDerWaalsContact CD2-O 3.32Å; L39-M80 WeakPolarHBondContact CD2-O 3.32Å; L39-M80 HydrophobicContact CD2-SD 3.98Å; L39-M80 HydrophobicContact CG-CE 3.82Å; L42-M80 HydrophobicContact CD1-CB 4.04Å; L42-M80 HydrophobicContact CD1-CE 3.87Å; F52-M80 HydrophobicContact CE1-CB 4.48Å; F52-M80 HydrophobicContact CE1-CG 4.31Å; F52-M80 HydrophobicContact CE2-CE 4.39Å; F52-M80 HydrophobicContact CZ-CE 4.24Å; F52-M80 HydrophobicContact CZ-CG 4.09Å; F57-M80 HydrophobicContact CE1-CE 4.25Å; F57-M80 HydrophobicContact CE1-CG 4.08Å; F57-M80 HydrophobicContact CE1-SD 3.76Å; F57-M80 HydrophobicContact CE2-CE 3.9Å; F57-M80 HydrophobicContact CE2-SD 4.31Å; F57-M80 HydrophobicContact CZ-CE 3.71Å; F57-M80 HydrophobicContact CZ-CG 4.41Å; F57-M80 HydrophobicContact CZ-SD 3.51Å; F57-M80 VanDerWaalsContact CZ-SD 3.51Å; V76-M80 HydrophobicContact CG1-CG 4.45Å; V76-M80 VanDerWaalsContact O-CG 3.3Å; V76-M80 WeakPolarHBondContact O-CG 3.5Å; V76-M80 PolarHBondContact O-N 2.89Å; C77-M80 PolarHBondContact O-N 2.91Å; C77-M80 VanDerWaalsContact O-N 3.16Å; M80-L83 PolarHBondContact O-N 3.46Å; M80-A84 WeakPolarHBondContact O-CB 3.37Å; M80-A84 PolarHBondContact O-N 3.09Å
81F89.7Confident89.3Confident109 Ų10951.5 Ų51.548%0.47829%0.286SS..Hα-helixtrans-65.6-40.4176-74.5-62000112.7L42 C77 M79 L83 S85L42-F81 HydrophobicContact CD2-CD1 4.46Å; L42-F81 HydrophobicContact CD2-CE1 3.81Å; L42-F81 HydrophobicContact CD2-CZ 4.21Å; C77-F81 HydrophobicContact CB-CD2 4.39Å; C77-F81 HydrophobicContact CB-CE2 4.26Å; C77-F81 WeakPolarHBondContact O-CD2 3.34Å; C77-F81 PolarHBondContact O-N 3.37Å; M79-F81 PolarHBondContact O-N 3.03Å; F81-L83 VanDerWaalsContact C-N 3.29Å; F81-L83 PolarHBondContact O-N 3.04Å; F81-S85 WeakPolarHBondContact O-CB 3.42Å; F81-S85 PolarHBondContact O-N 3.22Å; F81-S85 PolarHBondContact O-OG 3.47Å
82S90.2Very high88.1Confident72 Ų7257.3 Ų57.350%0.50331%0.314SS..Hα-helixtrans-63.7-39.1176.378.30000111.5E78 M79 S85 K86E78-S82 WeakPolarHBondContact O-CB 3.38Å; E78-S82 PolarHBondContact O-N 2.91Å; E78-S82 PolarHBondContact O-OG 2.85Å; M79-S82 PolarHBondContact O-N 2.94Å; M79-S82 PolarHBondContact O-OG 3.49Å; S82-S85 PolarHBondContact O-N 3.3Å; S82-K86 WeakPolarHBondContact O-CB 3.41Å; S82-K86 PolarHBondContact O-N 2.87Å
83L91.4Very high86.6Confident3 Ų356.5 Ų56.52%0.01632%0.315CS..Hα-helixtrans-70.8-45.7-179.8-153159.6000110.3I7 A10 L39 M79 M80 F81 S85 K86 L87I7-L83 HydrophobicContact CB-CD2 4.44Å; I7-L83 HydrophobicContact CG1-CD2 3.73Å; A10-L83 HydrophobicContact CB-CD1 3.63Å; A10-L83 HydrophobicContact CB-CG 4.13Å; L39-L83 HydrophobicContact CD1-CD2 3.37Å; L39-L83 HydrophobicContact CD1-CG 4.43Å; L39-L83 HydrophobicContact CD2-CB 4.11Å; L39-L83 HydrophobicContact CD2-CD2 4.17Å; L39-L83 HydrophobicContact CG-CD2 4.4Å; M79-L83 WeakPolarHBondContact O-CB 3.29Å; M79-L83 PolarHBondContact O-N 3.01Å; M79-L83 HydrophobicContact SD-CD1 4.01Å; M80-L83 PolarHBondContact O-N 3.46Å; F81-L83 VanDerWaalsContact C-N 3.29Å; F81-L83 PolarHBondContact O-N 3.04Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-S85 PolarHBondContact O-N 2.98Å; L83-K86 CarbonylContact O-C 3.52Å; L83-K86 WeakPolarHBondContact O-CB 3.41Å; L83-K86 PolarHBondContact O-N 2.9Å; L83-K86 VanDerWaalsContact O-N 3.09Å; L83-L87 HydrophobicContact CD2-CD1 3.8Å; L83-L87 HydrophobicContact CD2-CD2 4.26Å; L83-L87 HydrophobicContact CD2-CG 3.77Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 2.95Å
84A90.6Very high84.8Confident5 Ų561.3 Ų61.34%0.04133%0.333CS..Hα-helixtrans-56.9-44.4174.500000111.6L39 L42 M80 K86 L87 A88L39-A84 HydrophobicContact CD2-CB 4Å; L42-A84 HydrophobicContact CB-CB 4.25Å; M80-A84 WeakPolarHBondContact O-CB 3.37Å; M80-A84 PolarHBondContact O-N 3.09Å; A84-K86 PolarHBondContact O-N 3.07Å; A84-L87 PolarHBondContact O-N 2.89Å; A84-A88 PolarHBondContact O-N 3.48Å
85S88.1Confident82.8Confident77 Ų7763.4 Ų63.454%0.53834%0.341SS..Hα-helixtrans-61.9-42174.9-59.20000112.2F81 S82 L83 L87 A88 T89F81-S85 WeakPolarHBondContact O-CB 3.42Å; F81-S85 PolarHBondContact O-N 3.22Å; F81-S85 PolarHBondContact O-OG 3.47Å; S82-S85 PolarHBondContact O-N 3.3Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-S85 PolarHBondContact O-N 2.98Å; S85-L87 VanDerWaalsContact C-N 3.34Å; S85-A88 PolarHBondContact O-N 3.44Å; S85-T89 WeakPolarHBondContact O-CG2 3.37Å; S85-T89 PolarHBondContact O-N 3.41Å; S85-T89 VanDerWaalsContact O-N 3.1Å; S85-T89 PolarHBondContact O-OG1 2.92Å
86K88.4Confident80.5Confident102 Ų10263.2 Ų63.244%0.44335%0.35SS..Hα-helixtrans-65.2-36.6176.1-169.1176.8179.9-177.60111.7I6 S82 L83 A84 T89 A90I6-K86 HydrophobicContact CG2-CD 4.12Å; I6-K86 HydrophobicContact CG2-CG 4.35Å; S82-K86 WeakPolarHBondContact O-CB 3.41Å; S82-K86 PolarHBondContact O-N 2.87Å; L83-K86 CarbonylContact O-C 3.52Å; L83-K86 WeakPolarHBondContact O-CB 3.41Å; L83-K86 PolarHBondContact O-N 2.9Å; L83-K86 VanDerWaalsContact O-N 3.09Å; A84-K86 PolarHBondContact O-N 3.07Å; K86-T89 PolarHBondContact O-OG1 3.43Å; K86-A90 WeakPolarHBondContact O-CB 3.47Å; K86-A90 PolarHBondContact O-N 2.92Å
87L88.3Confident78Confident3 Ų368.8 Ų68.82%0.01638%0.383CS..Hα-helixtrans-70.1-41175.2-68.2-170.5000112.4L3 I6 I7 L39 L83 A84 S85 T89 A90 R91L3-L87 HydrophobicContact CD1-CD2 3.76Å; L3-L87 HydrophobicContact CD2-CD1 4.15Å; L3-L87 HydrophobicContact CD2-CD2 4.38Å; L3-L87 HydrophobicContact CG-CD1 4.22Å; L3-L87 HydrophobicContact CG-CD2 3.6Å; L3-L87 HydrophobicContact CG-CG 4.37Å; I6-L87 HydrophobicContact CB-CD2 4.09Å; I6-L87 HydrophobicContact CD1-CD2 4.48Å; I6-L87 HydrophobicContact CG2-CD2 3.8Å; I7-L87 HydrophobicContact CD1-CD1 3.86Å; I7-L87 HydrophobicContact CG1-CD1 3.86Å; I7-L87 HydrophobicContact CG1-CD2 4.22Å; L39-L87 HydrophobicContact CB-CD1 4.08Å; L39-L87 HydrophobicContact CD1-CD1 3.83Å; L83-L87 HydrophobicContact CD2-CD1 3.8Å; L83-L87 HydrophobicContact CD2-CD2 4.26Å; L83-L87 HydrophobicContact CD2-CG 3.77Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 2.95Å; A84-L87 PolarHBondContact O-N 2.89Å; S85-L87 VanDerWaalsContact C-N 3.34Å; L87-T89 VanDerWaalsContact C-N 3.32Å; L87-T89 PolarHBondContact O-N 3.46Å; L87-A90 PolarHBondContact O-N 3.3Å; L87-R91 WeakPolarHBondContact O-CG 3.4Å; L87-R91 PolarHBondContact O-N 3.04Å
88A85.1Confident75.6Confident40 Ų4074.5 Ų74.533%0.33141%0.411SS..Hα-helixtrans-59.3-44.4175.900000111.4A84 S85 R91 M92A84-A88 PolarHBondContact O-N 3.48Å; S85-A88 PolarHBondContact O-N 3.44Å; A88-R91 PolarHBondContact O-N 3.28Å; A88-M92 WeakPolarHBondContact O-CG 3.19Å; A88-M92 PolarHBondContact O-N 2.9Å
89T84.3Confident73.1Confident88 Ų8878.7 Ų78.754%0.5443%0.428SS..Hα-helixtrans-68.5-39.117755.80000113.1S85 K86 L87 R91 M92 S93S85-T89 WeakPolarHBondContact O-CG2 3.37Å; S85-T89 PolarHBondContact O-N 3.41Å; S85-T89 VanDerWaalsContact O-N 3.1Å; S85-T89 PolarHBondContact O-OG1 2.92Å; K86-T89 PolarHBondContact O-OG1 3.43Å; L87-T89 VanDerWaalsContact C-N 3.32Å; L87-T89 PolarHBondContact O-N 3.46Å; T89-R91 VanDerWaalsContact C-N 3.35Å; T89-R91 PolarHBondContact O-N 3.5Å; T89-M92 PolarHBondContact O-N 2.95Å; T89-S93 PolarHBondContact O-N 3.37Å
90A82.7Confident70.1Confident29 Ų2985 Ų8524%0.2447%0.468CS..Hα-helixtrans-61.4-41.5176.300000112.2I6 K86 L87 M92 S93 E94I6-A90 HydrophobicContact CD1-CB 3.86Å; K86-A90 WeakPolarHBondContact O-CB 3.47Å; K86-A90 PolarHBondContact O-N 2.92Å; L87-A90 PolarHBondContact O-N 3.3Å; A90-M92 PolarHBondContact O-N 2.62Å; A90-S93 PolarHBondContact O-N 3.46Å; A90-E94 PolarHBondContact O-N 3.5Å; A90-E94 VanDerWaalsContact O-N 3.15Å
91R76.7Confident67.2Low80 Ų8088.5 Ų88.530%0.30250%0.503SS..Hα-helixtrans-64.8-37.4175.8-70.9176.8-178.3152.94.4112.9L3 E40 L87 A88 T89 S93 E94 N95L3-R91 HydrophobicContact CD1-CG 4.15Å; E40-R91 VanDerWaalsContact CD-NH2 3.3Å; E40-R91 IonicContact OE1-CZ 3.78Å; E40-R91 IonicContact OE1-NH2 3.78Å; E40-R91 PolarHBondContact OE1-NH2 3.05Å; L87-R91 WeakPolarHBondContact O-CG 3.4Å; L87-R91 PolarHBondContact O-N 3.04Å; A88-R91 PolarHBondContact O-N 3.28Å; T89-R91 VanDerWaalsContact C-N 3.35Å; T89-R91 PolarHBondContact O-N 3.5Å; R91-S93 VanDerWaalsContact C-N 3.35Å; R91-E94 PolarHBondContact O-N 3.15Å; R91-N95 PolarHBondContact O-N 3.11Å
92M66.6Low64.5Low138 Ų13889.5 Ų89.568%0.6852%0.518SS*.Hα-helixtrans-67.8-35.7175.9-68.9179.872.800112.2A88 T89 A90 N95 S96A88-M92 WeakPolarHBondContact O-CG 3.19Å; A88-M92 PolarHBondContact O-N 2.9Å; T89-M92 PolarHBondContact O-N 2.95Å; A90-M92 PolarHBondContact O-N 2.62Å; M92-N95 PolarHBondContact O-N 3.38Å; M92-S96 WeakPolarHBondContact O-CB 3.43Å; M92-S96 PolarHBondContact O-N 3.07Å
93S61.5Low61.9Low74 Ų7494.9 Ų94.952%0.51754%0.536SS..Hα-helixtrans-68.7-32.8176.2-172.20000112.9T89 A90 R91 N95 S96T89-S93 PolarHBondContact O-N 3.37Å; A90-S93 PolarHBondContact O-N 3.46Å; R91-S93 VanDerWaalsContact C-N 3.35Å; S93-N95 VanDerWaalsContact C-N 3.35Å; S93-S96 PolarHBondContact O-N 2.87Å; S93-S96 PolarHBondContact O-OG 3.38Å
94E54.8Low59.3Low143 Ų143103.1 Ų103.167%0.66857%0.574SS**Hα-helixtrans-69.2-36.3173.8-137.8-175.7143.300110.9A90 R91A90-E94 PolarHBondContact O-N 3.5Å; A90-E94 VanDerWaalsContact O-N 3.15Å; R91-E94 PolarHBondContact O-N 3.15Å
95N49.7Very low56.6Low133 Ų133109 Ų10971%0.71161%0.609SS**Hα-helixtrans-76.3-16.7175-80.9-20.1000114.4R91 M92 S93R91-N95 PolarHBondContact O-N 3.11Å; M92-N95 PolarHBondContact O-N 3.38Å; S93-N95 VanDerWaalsContact C-N 3.35Å
96S42.6Very low53.8Low72 Ų72110.4 Ų110.450%0.50362%0.619SS.*THydrogen-bonded Turntrans-90-5.3-17773.80000115.1M92 S93 L98M92-S96 WeakPolarHBondContact O-CB 3.43Å; M92-S96 PolarHBondContact O-N 3.07Å; S93-S96 PolarHBondContact O-N 2.87Å; S93-S96 PolarHBondContact O-OG 3.38Å; S96-L98 PolarHBondContact O-N 2.8Å
97V40.3Very low51.4Low120 Ų120113.2 Ų113.273%0.72764%0.638SS**THydrogen-bonded Turntrans-78.6-9.9174178.10000112
98L40.8Very low48.8Very low149 Ų149122.4 Ų122.478%0.7868%0.678SS**SBendtrans-122.171.2169.4-71.9167.9000110S96S96-L98 PolarHBondContact O-N 2.8Å
99K38.8Very low46.3Very low199 Ų199127.7 Ų127.787%0.86570%0.7SS**  trans172.979.6150.1-91.5152-159.5-171.70110.4
100T31Very low43.7Very low149 Ų149130.1 Ų130.191%0.91471%0.709SS**  trans-100.3110.1155.5-32.90000106.9
101G30Very low41.3Very low73 Ų73132.5 Ų132.575%0.75373%0.729SS**  trans167.377.6-178.800000112.7
102T33.2Very low39.3Very low130 Ų130136.6 Ų136.680%0.79876%0.756SS**  trans-12.9127.7158.4-27.30000116.9
103E34.6Very low37.5Very low186 Ų186135.1 Ų135.187%0.86976%0.755SS**  160.5153.5112.8-83.9-174.1-174.200111.8
104E36.9Very low36Very low176 Ų176136.7 Ų136.782%0.82277%0.766SS**  trans-74165-166.8-60-161.3145.300115.7
105V34.2Very low34.8Very low128 Ų128137.1 Ų137.178%0.77677%0.768SS**  trans79.8134.8149.8171.90000118.2
106S28.8Very low34.3Very low107 Ų107136 Ų13675%0.74877%0.769SS**  trans105.7106.4151.9-1080000118.9
107L39.2Very low33.7Very low160 Ų160140 Ų14084%0.83878%0.779SS**  trans-9.8126.4143.5-55.4165.6000116.1
108K34.1Very low33.6Very low197 Ų197139.9 Ų139.986%0.85778%0.781SS**  149.8119126.7-83.3178.8179.9-175.30113.3
109L31.7Very low32.8Very low151 Ų151136 Ų13679%0.79178%0.777SS**  51121.8123.8-140.4127.8000121.1
110N30.7Very low32.3Very low138 Ų138136.3 Ų136.374%0.73878%0.782SS**  trans77.4115.1146-72.315.1000123.8
111A31.1Very low32.3Very low80 Ų80136.5 Ų136.566%0.66177%0.772SS**  84.7125.6113.500000123.1
112L34.2Very low32.7Very low165 Ų165139 Ų13986%0.86478%0.775SS**  trans74144.4148.5-61.2153.6000117.5
113T30.6Very low32.7Very low108 Ų108138 Ų13866%0.66377%0.765SS**  cis-178.6156.9-2.6-88.80000108.9
114S28.2Very low32.3Very low107 Ų107135.4 Ų135.475%0.74877%0.765SS**  trans135.8105.4142.261.20000113.9
115Q30.9Very low32Very low152 Ų152133.8 Ų133.871%0.7176%0.762SS**  78.4153.382.8-78.8-79.6-31.100114.1
116P39.1Very low32.5Very low110 Ų110136.3 Ų136.371%0.71476%0.762SS**  cis-147.7160.120.535.3-10.4000122.5
117E29.1Very low33Very low154 Ų154137.5 Ų137.572%0.7277%0.767SS**  trans63.7164.1135-66.5-72.8139.100124.7
118P37.8Very low32.9Very low118 Ų118138 Ų13877%0.76677%0.765SS**  cis-137.8166.7-7.134-13.5000117.7
119G24.4Very low32.7Very low69 Ų69135.8 Ų135.871%0.71177%0.769SS**  trans149.796.6140.400000121.1
120Q28.9Very low33.2Very low205 Ų205138.2 Ų138.296%0.95878%0.776SS**  trans98.5112.2148.9-56.5-170.4-4.400120.5
121E31.2Very low33.3Very low153 Ų153135.2 Ų135.272%0.71578%0.777SS**  trans-92169172.8-121.6-166.4172.100110.7
122P38.8Very low34Very low124 Ų124136.7 Ų136.781%0.80579%0.789SS**  -142.8131.361.733.7-11.7000118
123L31.8Very low34.2Very low111 Ų111134.9 Ų134.958%0.58179%0.786SS**  trans10.4134.1134.7-15385.3000121.1L125L123-L125 HydrophobicContact CD2-CD1 4.45Å; L123-L125 HydrophobicContact CD2-CD2 4.15Å; L123-L125 HydrophobicContact CD2-CG 4.09Å; L123-L125 HydrophobicContact CG-CD2 4.46Å; L123-L125 HydrophobicContact CG-CG 4.44Å
124C25.9Very low34.8Very low131 Ų131134.4 Ų134.489%0.88579%0.793SS**  -151147.5128.2-159.40000112.9
125L32.4Very low35.6Very low142 Ų142138.3 Ų138.374%0.74380%0.796SS**  trans-85.9161.1-154.5-63.6158.1000115.5L123L123-L125 HydrophobicContact CD2-CD1 4.45Å; L123-L125 HydrophobicContact CD2-CD2 4.15Å; L123-L125 HydrophobicContact CD2-CG 4.09Å; L123-L125 HydrophobicContact CG-CD2 4.46Å; L123-L125 HydrophobicContact CG-CG 4.44Å
126K43.2Very low36.2Very low180 Ų180137.6 Ų137.678%0.78380%0.796SS**  trans-63.6174.1177.9-53.7173.9176.4172.70113.6
127P39.1Very low36.7Very low132 Ų132134.6 Ų134.686%0.85778%0.778SS**  -138.4159.586.630.3-11.8000116
128Q37.3Very low38Very low170 Ų170130 Ų13079%0.79477%0.766SS**  trans-71148.6-175.4-60.4164.3-87.500113.3
129T29.7Very low39.2Very low152 Ų152128.1 Ų128.193%0.93376%0.756SS**  trans-145.6147.3139.814.90000110.5
130E43Very low41.7Very low202 Ų202129.6 Ų129.694%0.94474%0.744SS**  trans-84.5141.9-155.7-174.9-179.5-17700113.1
131G32.6Very low44.1Very low74 Ų74124 Ų12476%0.76371%0.714SS**  trans165109.317400000112.5T133G131-T133 PolarHBondContact O-N 3.43Å
132A45.7Very low46.7Very low111 Ų111122.5 Ų122.592%0.91771%0.708SS**  trans-66.1116.8-173.600000114.1
133T38.8Very low49.2Very low128 Ų128123.4 Ų123.479%0.78570%0.699SS**  trans-158.4139.1148.2-117.40000106.7G131 K135G131-T133 PolarHBondContact O-N 3.43Å; T133-K135 PolarHBondContact O-N 2.57Å
134A42.8Very low52Low98 Ų98120 Ų12081%0.8168%0.68SS**  trans-57.4103.2-177.100000110.5L136A134-L136 VanDerWaalsContact C-N 3.3Å; A134-L136 PolarHBondContact O-N 3.08Å
135K45.7Very low55.2Low189 Ų189114.9 Ų114.982%0.82264%0.643SS**  trans-69.789.3166.1-93.6-173.9171-175.30107.7T133T133-K135 PolarHBondContact O-N 2.57Å
136L43.5Very low58.1Low137 Ų137113.7 Ų113.772%0.71763%0.634SS**  trans-55.8131.9141.5-73.6169.7000106A134 A138A134-L136 VanDerWaalsContact C-N 3.3Å; A134-L136 PolarHBondContact O-N 3.08Å; L136-A138 PolarHBondContact O-N 3.15Å
137S48.4Very low60.5Low46 Ų46108 Ų10832%0.32261%0.61SS.*  trans-64.9129.7-153.865.80000109.7S139 E140S137-S139 PolarHBondContact O-N 3.31Å; S137-E140 PolarHBondContact N-OE2 3.43Å; S137-E140 PolarHBondContact O-N 3.4Å; S137-E140 WeakPolarHBondContact OG-CG 3.37Å; S137-E140 PolarHBondContact OG-N 3.31Å; S137-E140 PolarHBondContact OG-OE2 3.24Å
138A56.8Low63.2Low57 Ų57101.7 Ų101.747%0.47157%0.569SS.*Hα-helixtrans-53.5-23174.300000112L136 E142L136-A138 PolarHBondContact O-N 3.15Å; A138-E142 WeakPolarHBondContact O-CG 3.48Å; A138-E142 PolarHBondContact O-N 3.2Å
139S64.1Low65.9Low80 Ų8096.3 Ų96.356%0.55955%0.545SS*.Hα-helixtrans-66.4-32.1174.6-169.90000114.5S137 F143S137-S139 PolarHBondContact O-N 3.31Å; S139-F143 PolarHBondContact O-N 3.1Å
140E76.4Confident69Low100 Ų10094.9 Ų94.947%0.46753%0.528SS..Hα-helixtrans-68.5-40.5178.4-80.8154.6149.700110.6S137 F143 Q144S137-E140 PolarHBondContact N-OE2 3.43Å; S137-E140 PolarHBondContact O-N 3.4Å; S137-E140 WeakPolarHBondContact OG-CG 3.37Å; S137-E140 PolarHBondContact OG-N 3.31Å; S137-E140 PolarHBondContact OG-OE2 3.24Å; E140-F143 PolarHBondContact O-N 3.22Å; E140-Q144 VanDerWaalsContact O-CG 3.29Å; E140-Q144 WeakPolarHBondContact O-CG 3.26Å; E140-Q144 PolarHBondContact O-N 3.35Å
141W78.5Confident71.4Confident87 Ų8789.5 Ų89.533%0.3350%0.504SS..Hα-helixtrans-65.6-40.1177.7-72.368.5000111.6F143 Q144 E145 L164W141-F143 PolarHBondContact O-N 3.06Å; W141-Q144 PolarHBondContact O-N 3.27Å; W141-E145 WeakPolarHBondContact O-CB 3.26Å; W141-E145 VanDerWaalsContact O-CG 3.24Å; W141-E145 WeakPolarHBondContact O-CG 3.38Å; W141-E145 PolarHBondContact O-N 3.09Å; W141-L164 HydrophobicContact CE3-CB 4.26Å; W141-L164 HydrophobicContact CZ3-CB 4.09Å
142E86.9Confident74.3Confident122 Ų12288 Ų8857%0.5748%0.477SS*.Hα-helixtrans-64.6-38.6177.1-71.5170.3178.500112.1A138 E145 Q146A138-E142 WeakPolarHBondContact O-CG 3.48Å; A138-E142 PolarHBondContact O-N 3.2Å; E142-E145 PolarHBondContact O-N 3.08Å; E142-Q146 WeakPolarHBondContact O-CB 3.38Å; E142-Q146 PolarHBondContact O-N 3.28Å
143F90Very high76.4Confident142 Ų14288.4 Ų88.462%0.62347%0.47SS*.Hα-helixtrans-66.4-43.6174.7-178-97000111.8S139 E140 W141 Q146 H147S139-F143 PolarHBondContact O-N 3.1Å; E140-F143 PolarHBondContact O-N 3.22Å; W141-F143 PolarHBondContact O-N 3.06Å; F143-Q146 PolarHBondContact O-N 3.04Å; F143-H147 WeakPolarHBondContact O-CB 3.43Å; F143-H147 PolarHBondContact O-N 2.86Å
144Q91.9Very high78.7Confident41 Ų4192.3 Ų92.319%0.19248%0.476CS..Hα-helixtrans-64.1-40.5175.7-68.4178.6-40.200111.8E140 W141 H147 L148 L164 G169 M171E140-Q144 VanDerWaalsContact O-CG 3.29Å; E140-Q144 WeakPolarHBondContact O-CG 3.26Å; E140-Q144 PolarHBondContact O-N 3.35Å; W141-Q144 PolarHBondContact O-N 3.27Å; Q144-H147 PolarHBondContact O-N 3.01Å; Q144-L148 WeakPolarHBondContact O-CG 3.39Å; Q144-L148 PolarHBondContact O-N 3.11Å; Q144-L148 VanDerWaalsContact O-N 3.08Å; Q144-L164 HydrophobicContact CB-CD1 3.78Å; Q144-L164 HydrophobicContact CB-CD2 3.96Å; Q144-G169 PolarHBondContact NE2-O 3.44Å; Q144-M171 HydrophobicContact CB-CE 4.12Å; Q144-M171 HydrophobicContact CG-CE 3.85Å
145E92.5Very high80.9Confident23 Ų2388.4 Ų88.411%0.10744%0.442CS..Hα-helixtrans-60.4-45.3174.5-78.1176.5-169.300111W141 E142 L148 L149 R161 L164W141-E145 WeakPolarHBondContact O-CB 3.26Å; W141-E145 VanDerWaalsContact O-CG 3.24Å; W141-E145 WeakPolarHBondContact O-CG 3.38Å; W141-E145 PolarHBondContact O-N 3.09Å; E142-E145 PolarHBondContact O-N 3.08Å; E145-L148 PolarHBondContact O-N 2.94Å; E145-L149 WeakPolarHBondContact O-CG 3.25Å; E145-L149 PolarHBondContact O-N 3.17Å; E145-L149 VanDerWaalsContact O-N 3.17Å; E145-R161 HydrophobicContact CG-CB 4.31Å; E145-R161 WeakPolarHBondContact OE1-CB 3.44Å; E145-R161 VanDerWaalsContact OE1-CD 3.28Å; E145-R161 WeakPolarHBondContact OE1-CD 2.95Å; E145-R161 WeakPolarHBondContact OE1-CG 3.44Å; E145-R161 IonicContact OE1-NE 2.86Å; E145-L164 HydrophobicContact CB-CD1 4.2Å; E145-L164 HydrophobicContact CG-CD1 3.51Å
146Q93.6Very high83.1Confident117 Ų11781.5 Ų81.555%0.54742%0.418SS..Hα-helixtrans-65-41.6178.2-173.1168.8-19.300111.9E142 F143 L148 L149 E150E142-Q146 WeakPolarHBondContact O-CB 3.38Å; E142-Q146 PolarHBondContact O-N 3.28Å; F143-Q146 PolarHBondContact O-N 3.04Å; Q146-L148 VanDerWaalsContact C-N 3.33Å; Q146-L148 PolarHBondContact O-N 3.03Å; Q146-L149 WeakPolarHBondContact O-CB 3.26Å; Q146-L149 PolarHBondContact O-N 3.44Å; Q146-L149 VanDerWaalsContact O-N 3.11Å; Q146-E150 WeakPolarHBondContact O-CG 3.48Å; Q146-E150 PolarHBondContact O-N 2.86Å
147H94Very high85.4Confident59 Ų5979.8 Ų79.827%0.27341%0.409SS..Hα-helixtrans-61.6-40177-16868.1000112.4F143 Q144 L149 E150 M151 M171F143-H147 WeakPolarHBondContact O-CB 3.43Å; F143-H147 PolarHBondContact O-N 2.86Å; Q144-H147 PolarHBondContact O-N 3.01Å; H147-L149 VanDerWaalsContact C-N 3.32Å; H147-L149 PolarHBondContact O-N 3.41Å; H147-E150 PolarHBondContact O-N 2.95Å; H147-M151 WeakPolarHBondContact O-CG 2.97Å; H147-M151 PolarHBondContact O-N 3.5Å; H147-M171 HydrophobicContact CB-CE 4.09Å; H147-M171 PolarHBondContact CD2-SD 3.24Å
148L94.2Very high87.4Confident0 Ų081.5 Ų81.50%042%0.421CS..Hα-helixtrans-64.9-34.8174.3-71.5176.3000112.8Q144 E145 Q146 E150 M151 F152 A160 L164 A174 V175 I178Q144-L148 WeakPolarHBondContact O-CG 3.39Å; Q144-L148 PolarHBondContact O-N 3.11Å; Q144-L148 VanDerWaalsContact O-N 3.08Å; E145-L148 PolarHBondContact O-N 2.94Å; Q146-L148 VanDerWaalsContact C-N 3.33Å; Q146-L148 PolarHBondContact O-N 3.03Å; L148-E150 VanDerWaalsContact C-N 3.34Å; L148-M151 PolarHBondContact O-N 3.06Å; L148-F152 HydrophobicContact CD2-CE2 4.29Å; L148-F152 WeakPolarHBondContact O-CB 3.39Å; L148-F152 WeakPolarHBondContact O-CD2 3.45Å; L148-F152 PolarHBondContact O-N 3.32Å; L148-A160 HydrophobicContact CB-CB 3.93Å; L148-A160 HydrophobicContact CD1-CB 4.18Å; L148-L164 HydrophobicContact CD1-CD1 3.74Å; L148-L164 HydrophobicContact CD1-CD2 3.91Å; L148-L164 HydrophobicContact CD1-CG 3.53Å; L148-A174 HydrophobicContact CD1-CB 4Å; L148-V175 HydrophobicContact CD2-CG2 3.56Å; L148-I178 HydrophobicContact CB-CD1 4.4Å; L148-I178 HydrophobicContact CD1-CD1 3.99Å; L148-I178 HydrophobicContact CD2-CD1 4.02Å; L148-I178 HydrophobicContact CG-CD1 4.38Å
149L94.2Very high89Confident57 Ų5782.2 Ų82.230%0.29842%0.415SS..Hα-helixtrans-70.3-31175.6-69.8169.5000112.5E145 Q146 H147 F152 C155 L157 A160E145-L149 WeakPolarHBondContact O-CG 3.25Å; E145-L149 PolarHBondContact O-N 3.17Å; E145-L149 VanDerWaalsContact O-N 3.17Å; Q146-L149 WeakPolarHBondContact O-CB 3.26Å; Q146-L149 PolarHBondContact O-N 3.44Å; Q146-L149 VanDerWaalsContact O-N 3.11Å; H147-L149 VanDerWaalsContact C-N 3.32Å; H147-L149 PolarHBondContact O-N 3.41Å; L149-F152 CarbonylContact O-C 3.56Å; L149-C155 VanDerWaalsContact CD2-O 3.23Å; L149-C155 WeakPolarHBondContact CD2-O 3.23Å; L149-L157 HydrophobicContact CD1-CB 4.29Å; L149-L157 HydrophobicContact CD1-CD1 4.45Å; L149-L157 HydrophobicContact CD1-CG 4.43Å; L149-A160 HydrophobicContact CG-CB 4.45Å
150E95Very high90.4Very high122 Ų12278.4 Ų78.457%0.5739%0.388SS*.Hα-helixtrans-68.7-43.7173.4-71.4172-174.500111.4Q146 H147 L148Q146-E150 WeakPolarHBondContact O-CG 3.48Å; Q146-E150 PolarHBondContact O-N 2.86Å; H147-E150 PolarHBondContact O-N 2.95Å; L148-E150 VanDerWaalsContact C-N 3.34Å
151M93.9Very high91.1Very high90 Ų9081 Ų8144%0.44339%0.393SS..Hα-helixtrans-72-32.5178.1-63.7-142.8-60.600113.3H147 L148 P153 V175H147-M151 WeakPolarHBondContact O-CG 2.97Å; H147-M151 PolarHBondContact O-N 3.5Å; L148-M151 PolarHBondContact O-N 3.06Å; M151-P153 WeakPolarHBondContact O-CD 3.29Å; M151-V175 HydrophobicContact CE-CB 4.45Å; M151-V175 HydrophobicContact CE-CG1 4.27Å; M151-V175 HydrophobicContact CE-CG2 3.28Å
152F93.3Very high91.8Very high42 Ų4278.4 Ų78.418%0.18439%0.389CS..  trans-122.385.7-177.7-59.3-77.7000111.9L148 L149 K154 C155 V175 I178 I179L148-F152 HydrophobicContact CD2-CE2 4.29Å; L148-F152 WeakPolarHBondContact O-CB 3.39Å; L148-F152 WeakPolarHBondContact O-CD2 3.45Å; L148-F152 PolarHBondContact O-N 3.32Å; L149-F152 CarbonylContact O-C 3.56Å; F152-K154 PolarHBondContact O-N 3.01Å; F152-C155 HydrophobicContact CB-CB 3.39Å; F152-C155 HydrophobicContact CG-CB 4.38Å; F152-C155 VanDerWaalsContact O-CB 3.27Å; F152-C155 WeakPolarHBondContact O-CB 3.38Å; F152-C155 PolarHBondContact O-N 3.24Å; F152-V175 HydrophobicContact CE2-CB 4.38Å; F152-V175 HydrophobicContact CE2-CG1 4.16Å; F152-V175 HydrophobicContact CE2-CG2 4.17Å; F152-V175 HydrophobicContact CZ-CB 4.49Å; F152-V175 HydrophobicContact CZ-CG1 3.86Å; F152-I178 HydrophobicContact CB-CG2 4.42Å; F152-I178 HydrophobicContact CD1-CG2 3.9Å; F152-I178 HydrophobicContact CD2-CB 4.47Å; F152-I178 HydrophobicContact CD2-CD1 4.18Å; F152-I178 HydrophobicContact CD2-CG2 3.85Å; F152-I178 HydrophobicContact CE1-CG2 4.04Å; F152-I178 HydrophobicContact CE2-CB 4.22Å; F152-I178 HydrophobicContact CE2-CD1 4.25Å; F152-I178 HydrophobicContact CE2-CG2 3.98Å; F152-I178 HydrophobicContact CG-CG2 3.8Å; F152-I178 HydrophobicContact CZ-CB 4.35Å; F152-I178 HydrophobicContact CZ-CG2 4.06Å; F152-I179 HydrophobicContact CE1-CD1 4.28Å; F152-I179 HydrophobicContact CE1-CG1 3.64Å; F152-I179 HydrophobicContact CZ-CD1 4.03Å; F152-I179 HydrophobicContact CZ-CG1 3.68Å
153P90.9Very high92.1Very high119 Ų11972.6 Ų72.677%0.77336%0.361SS*.THydrogen-bonded Turntrans-60.6-16.6-179.8-25.233.5000115M151M151-P153 WeakPolarHBondContact O-CD 3.29Å
154K86.9Confident92.2Very high210 Ų21065.8 Ų65.891%0.91333%0.332SS*.THydrogen-bonded Turntrans-95.4-12.8176.3-62.8-178.6-177.4174.30113.3F152F152-K154 PolarHBondContact O-N 3.01Å
155C88.9Confident92.2Very high16 Ų1667.6 Ų67.611%0.10835%0.349CS..  trans-75.6134.5177.6-1760000109.2L149 F152 I178L149-C155 VanDerWaalsContact CD2-O 3.23Å; L149-C155 WeakPolarHBondContact CD2-O 3.23Å; F152-C155 HydrophobicContact CB-CB 3.39Å; F152-C155 HydrophobicContact CG-CB 4.38Å; F152-C155 VanDerWaalsContact O-CB 3.27Å; F152-C155 WeakPolarHBondContact O-CB 3.38Å; F152-C155 PolarHBondContact O-N 3.24Å; C155-I178 HydrophobicContact CB-CG2 4.43Å
156S90.6Very high92.2Very high44 Ų4469.8 Ų69.831%0.30836%0.36SS..  trans-84155.717464.70000111.4S158 E159 A160S156-S158 PolarHBondContact O-N 3.15Å; S156-S158 VanDerWaalsContact O-N 3.16Å; S156-S158 PolarHBondContact OG-OG 2.71Å; S156-E159 WeakPolarHBondContact CB-OE2 3.42Å; S156-E159 PolarHBondContact N-OE2 3.2Å; S156-E159 PolarHBondContact O-N 3.37Å; S156-E159 VanDerWaalsContact OG-CG 3.27Å; S156-E159 WeakPolarHBondContact OG-CG 3.48Å; S156-E159 PolarHBondContact OG-N 3.14Å; S156-E159 PolarHBondContact OG-OE2 3.43Å; S156-A160 PolarHBondContact O-N 3.32Å
157L91.7Very high92.1Very high102 Ų10265 Ų6553%0.53434%0.341SS..Hα-helixtrans-54.9-36.9176.5-174.6151.3000112.1L149 R161L149-L157 HydrophobicContact CD1-CB 4.29Å; L149-L157 HydrophobicContact CD1-CD1 4.45Å; L149-L157 HydrophobicContact CD1-CG 4.43Å; L157-R161 VanDerWaalsContact O-CB 3.3Å; L157-R161 WeakPolarHBondContact O-CB 3.48Å; L157-R161 PolarHBondContact O-N 3.44Å
158S90.1Very high91.9Very high81 Ų8170.8 Ų70.857%0.56637%0.365SS*.Hα-helixtrans-65.5-35.8175.541.50000113.6S156 S162S156-S158 PolarHBondContact O-N 3.15Å; S156-S158 VanDerWaalsContact O-N 3.16Å; S156-S158 PolarHBondContact OG-OG 2.71Å; S158-S162 WeakPolarHBondContact O-CB 3.27Å; S158-S162 PolarHBondContact O-N 2.93Å
159E91.9Very high91.5Very high73 Ų7371.7 Ų71.734%0.34138%0.375SS..Hα-helixtrans-73.9-45178.3-75161.9149.400110.9S156 R161 S162 A163 V183S156-E159 WeakPolarHBondContact CB-OE2 3.42Å; S156-E159 PolarHBondContact N-OE2 3.2Å; S156-E159 PolarHBondContact O-N 3.37Å; S156-E159 VanDerWaalsContact OG-CG 3.27Å; S156-E159 WeakPolarHBondContact OG-CG 3.48Å; S156-E159 PolarHBondContact OG-N 3.14Å; S156-E159 PolarHBondContact OG-OE2 3.43Å; E159-R161 VanDerWaalsContact C-N 3.33Å; E159-R161 PolarHBondContact O-N 2.82Å; E159-S162 PolarHBondContact O-N 3.35Å; E159-A163 WeakPolarHBondContact O-CB 3.37Å; E159-A163 PolarHBondContact O-N 3.45Å; E159-V183 HydrophobicContact CB-CG1 4Å; E159-V183 HydrophobicContact CG-CG1 4.18Å; E159-V183 WeakPolarHBondContact O-CG1 3.35Å
160A92.3Very high91.4Very high0 Ų072.3 Ų72.30%038%0.378CS..Hα-helixtrans-56.8-46.8174.800000111.6L148 L149 S156 A163 L164L148-A160 HydrophobicContact CB-CB 3.93Å; L148-A160 HydrophobicContact CD1-CB 4.18Å; L149-A160 HydrophobicContact CG-CB 4.45Å; S156-A160 PolarHBondContact O-N 3.32Å; A160-A163 PolarHBondContact O-N 3.4Å; A160-L164 WeakPolarHBondContact O-CG 3.47Å; A160-L164 PolarHBondContact O-N 2.94Å
161R92.8Very high91.3Very high153 Ų15368.3 Ų68.358%0.57736%0.36SS*.Hα-helixtrans-64.9-40176.4-177.8166.1-177174.35.5113E145 L157 E159 S165E145-R161 HydrophobicContact CG-CB 4.31Å; E145-R161 WeakPolarHBondContact OE1-CB 3.44Å; E145-R161 VanDerWaalsContact OE1-CD 3.28Å; E145-R161 WeakPolarHBondContact OE1-CD 2.95Å; E145-R161 WeakPolarHBondContact OE1-CG 3.44Å; E145-R161 IonicContact OE1-NE 2.86Å; L157-R161 VanDerWaalsContact O-CB 3.3Å; L157-R161 WeakPolarHBondContact O-CB 3.48Å; L157-R161 PolarHBondContact O-N 3.44Å; E159-R161 VanDerWaalsContact C-N 3.33Å; E159-R161 PolarHBondContact O-N 2.82Å; R161-S165 VanDerWaalsContact O-CB 3.29Å; R161-S165 WeakPolarHBondContact O-CB 3.37Å; R161-S165 PolarHBondContact O-N 2.82Å
162S92.1Very high91.3Very high33 Ų3370.6 Ų70.623%0.23137%0.37CS..Hα-helixtrans-63.7-45.6175.9-177.10000110.8S158 E159 S165 I166S158-S162 WeakPolarHBondContact O-CB 3.27Å; S158-S162 PolarHBondContact O-N 2.93Å; E159-S162 PolarHBondContact O-N 3.35Å; S162-S165 WeakPolarHBondContact O-CB 3.34Å; S162-S165 PolarHBondContact O-N 2.79Å; S162-I166 VanDerWaalsContact O-CG1 3.26Å; S162-I166 WeakPolarHBondContact O-CG1 3.18Å; S162-I166 PolarHBondContact O-N 3.46Å
163A93Very high91.3Very high0 Ų072.3 Ų72.30%038%0.378CS..Hα-helixtrans-59.1-49.2177.300000111.8E159 A160 S165 I166 A167 A174 I178 V183E159-A163 WeakPolarHBondContact O-CB 3.37Å; E159-A163 PolarHBondContact O-N 3.45Å; A160-A163 PolarHBondContact O-N 3.4Å; A163-S165 VanDerWaalsContact C-N 3.29Å; A163-S165 PolarHBondContact O-N 2.67Å; A163-I166 PolarHBondContact O-N 3.01Å; A163-A167 VanDerWaalsContact O-CB 3.25Å; A163-A167 WeakPolarHBondContact O-CB 3.3Å; A163-A167 PolarHBondContact O-N 3.37Å; A163-A174 HydrophobicContact CB-CB 3.97Å; A163-I178 HydrophobicContact CB-CD1 3.84Å; A163-I178 HydrophobicContact CB-CG1 3.72Å; A163-V183 HydrophobicContact CB-CG2 3.74Å
164L93.1Very high91.5Very high0 Ų066.6 Ų66.60%034%0.341CS..Hα-helixtrans-62.5-36.7175.7-73.2167000112.4W141 Q144 E145 L148 A160 A167 K168 G169 A174W141-L164 HydrophobicContact CE3-CB 4.26Å; W141-L164 HydrophobicContact CZ3-CB 4.09Å; Q144-L164 HydrophobicContact CB-CD1 3.78Å; Q144-L164 HydrophobicContact CB-CD2 3.96Å; E145-L164 HydrophobicContact CB-CD1 4.2Å; E145-L164 HydrophobicContact CG-CD1 3.51Å; L148-L164 HydrophobicContact CD1-CD1 3.74Å; L148-L164 HydrophobicContact CD1-CD2 3.91Å; L148-L164 HydrophobicContact CD1-CG 3.53Å; A160-L164 WeakPolarHBondContact O-CG 3.47Å; A160-L164 PolarHBondContact O-N 2.94Å; L164-A167 CarbonylContact O-C 3.5Å; L164-K168 WeakPolarHBondContact O-CA 3.27Å; L164-K168 PolarHBondContact O-N 3.01Å; L164-G169 PolarHBondContact O-N 3.16Å; L164-A174 HydrophobicContact CD2-CB 3.89Å; L164-A174 HydrophobicContact CG-CB 4.24Å
165S91.7Very high91.8Very high78 Ų7858 Ų5855%0.54531%0.306SS..Hα-helixtrans-66.5-38.7176-171.20000112.2R161 S162 A163R161-S165 VanDerWaalsContact O-CB 3.29Å; R161-S165 WeakPolarHBondContact O-CB 3.37Å; R161-S165 PolarHBondContact O-N 2.82Å; S162-S165 WeakPolarHBondContact O-CB 3.34Å; S162-S165 PolarHBondContact O-N 2.79Å; A163-S165 VanDerWaalsContact C-N 3.29Å; A163-S165 PolarHBondContact O-N 2.67Å
166I91.9Very high92.1Very high69 Ų6961.7 Ų61.735%0.35432%0.317SS..Hα-helixtrans-71.1-43.8177.2-65.4163.1000110S162 A163 K168 L177S162-I166 VanDerWaalsContact O-CG1 3.26Å; S162-I166 WeakPolarHBondContact O-CG1 3.18Å; S162-I166 PolarHBondContact O-N 3.46Å; A163-I166 PolarHBondContact O-N 3.01Å; I166-K168 PolarHBondContact O-N 3.04Å; I166-L177 HydrophobicContact CB-CD1 3.84Å; I166-L177 HydrophobicContact CG2-CD1 3.58Å
167A91.3Very high92.2Very high16 Ų1660.2 Ų60.213%0.13231%0.306CS..THydrogen-bonded Turntrans-76.2-1.8178.200000113.8A163 L164 G169 D170 E173 A174 L177A163-A167 VanDerWaalsContact O-CB 3.25Å; A163-A167 WeakPolarHBondContact O-CB 3.3Å; A163-A167 PolarHBondContact O-N 3.37Å; L164-A167 CarbonylContact O-C 3.5Å; A167-G169 PolarHBondContact O-N 3.38Å; A167-D170 HydrophobicContact CB-CB 4.26Å; A167-D170 VanDerWaalsContact CB-O 3.25Å; A167-D170 WeakPolarHBondContact CB-O 3.42Å; A167-D170 VanDerWaalsContact O-CB 3.27Å; A167-D170 WeakPolarHBondContact O-CB 3.36Å; A167-D170 PolarHBondContact O-N 2.93Å; A167-D170 VanDerWaalsContact O-N 3.1Å; A167-E173 HydrophobicContact CB-CB 3.84Å; A167-A174 HydrophobicContact CB-CB 3.98Å; A167-L177 HydrophobicContact CB-CD1 4.31Å
168K89.4Confident92.2Very high182 Ų18256.8 Ų56.879%0.79129%0.288SS*.THydrogen-bonded Turntrans54.535.5-179.4-57.3176.3-178.7170.60113.6L164 I166L164-K168 WeakPolarHBondContact O-CA 3.27Å; L164-K168 PolarHBondContact O-N 3.01Å; I166-K168 PolarHBondContact O-N 3.04Å
169G86.8Confident92.4Very high19 Ų1958.5 Ų58.520%0.19629%0.29CS..THydrogen-bonded Turntrans86.76.5-179.700000115.3Q144 L164 A167Q144-G169 PolarHBondContact NE2-O 3.44Å; L164-G169 PolarHBondContact O-N 3.16Å; A167-G169 PolarHBondContact O-N 3.38Å
170D91.9Very high92.2Very high70 Ų7060.3 Ų60.337%0.37430%0.298SS..  trans-77.7121.8167.8-173.2-38.8000109.5A167 E172 E173 A174A167-D170 HydrophobicContact CB-CB 4.26Å; A167-D170 VanDerWaalsContact CB-O 3.25Å; A167-D170 WeakPolarHBondContact CB-O 3.42Å; A167-D170 VanDerWaalsContact O-CB 3.27Å; A167-D170 WeakPolarHBondContact O-CB 3.36Å; A167-D170 PolarHBondContact O-N 2.93Å; A167-D170 VanDerWaalsContact O-N 3.1Å; D170-E172 PolarHBondContact OD1-N 3.39Å; D170-E172 VanDerWaalsContact OD1-N 3.17Å; D170-E173 HydrophobicContact CB-CB 4.1Å; D170-E173 HydrophobicContact CB-CG 4.45Å; D170-E173 PolarHBondContact OD1-N 3.47Å; D170-A174 VanDerWaalsContact O-CB 3.31Å; D170-A174 WeakPolarHBondContact O-CB 3.36Å; D170-A174 PolarHBondContact O-N 3.18Å
171M93.5Very high91.5Very high37 Ų3762.6 Ų62.618%0.18232%0.322CS..Hα-helixtrans-77.5-44-172.9-177174.2-75.400110.9Q144 H147 E173 A174 V175Q144-M171 HydrophobicContact CB-CE 4.12Å; Q144-M171 HydrophobicContact CG-CE 3.85Å; H147-M171 HydrophobicContact CB-CE 4.09Å; H147-M171 PolarHBondContact CD2-SD 3.24Å; M171-E173 VanDerWaalsContact C-N 3.35Å; M171-E173 PolarHBondContact O-N 2.97Å; M171-A174 WeakPolarHBondContact O-CB 3.46Å; M171-A174 PolarHBondContact O-N 3.32Å; M171-A174 VanDerWaalsContact O-N 3.15Å; M171-V175 HydrophobicContact CG-CG2 4.44Å; M171-V175 WeakPolarHBondContact O-CB 3.37Å; M171-V175 WeakPolarHBondContact O-CG2 3.49Å; M171-V175 PolarHBondContact O-N 3.2Å
172E93.4Very high90.5Very high139 Ų13959.3 Ų59.365%0.6532%0.316SS*.Hα-helixtrans-63.1-42.8-179.1-6870.2-159.700110.9D170 V175 R176D170-E172 PolarHBondContact OD1-N 3.39Å; D170-E172 VanDerWaalsContact OD1-N 3.17Å; E172-V175 PolarHBondContact O-N 3.21Å; E172-R176 PolarHBondContact O-N 3.05Å
173E93.6Very high89.3Confident77 Ų7758.6 Ų58.636%0.3631%0.31SS..Hα-helixtrans-67.7-37.3173.8-75.3-63.1149.300112.2A167 D170 M171 R176 L177A167-E173 HydrophobicContact CB-CB 3.84Å; D170-E173 HydrophobicContact CB-CB 4.1Å; D170-E173 HydrophobicContact CB-CG 4.45Å; D170-E173 PolarHBondContact OD1-N 3.47Å; M171-E173 VanDerWaalsContact C-N 3.35Å; M171-E173 PolarHBondContact O-N 2.97Å; E173-R176 PolarHBondContact O-N 2.83Å; E173-R176 IonicContact OE1-NE 2.62Å; E173-R176 IonicContact OE2-CZ 2.66Å; E173-R176 VanDerWaalsContact OE2-CZ 3.24Å; E173-R176 IonicContact OE2-NE 3.52Å; E173-R176 PolarHBondContact OE2-NE 3.46Å; E173-R176 IonicContact OE2-NH2 3.81Å; E173-R176 PolarHBondContact OE2-NH2 3.2Å; E173-L177 VanDerWaalsContact O-CG 3.26Å; E173-L177 WeakPolarHBondContact O-CG 3.29Å; E173-L177 PolarHBondContact O-N 2.81Å
174A94.4Very high87.8Confident0 Ų066 Ų660%035%0.345CS..Hα-helixtrans-64.6-40174.700000112.2L148 A163 L164 A167 D170 M171 L177 I178L148-A174 HydrophobicContact CD1-CB 4Å; A163-A174 HydrophobicContact CB-CB 3.97Å; L164-A174 HydrophobicContact CD2-CB 3.89Å; L164-A174 HydrophobicContact CG-CB 4.24Å; A167-A174 HydrophobicContact CB-CB 3.98Å; D170-A174 VanDerWaalsContact O-CB 3.31Å; D170-A174 WeakPolarHBondContact O-CB 3.36Å; D170-A174 PolarHBondContact O-N 3.18Å; M171-A174 WeakPolarHBondContact O-CB 3.46Å; M171-A174 PolarHBondContact O-N 3.32Å; M171-A174 VanDerWaalsContact O-N 3.15Å; A174-L177 PolarHBondContact O-N 3.08Å; A174-I178 WeakPolarHBondContact O-CD1 3.5Å; A174-I178 VanDerWaalsContact O-CG1 3.29Å; A174-I178 WeakPolarHBondContact O-CG1 3.18Å; A174-I178 PolarHBondContact O-N 3.05Å
175V94.3Very high85.6Confident28 Ų2873.9 Ų73.917%0.1739%0.386CS..Hα-helixtrans-60.8-48.4174168.60000110.4L148 M151 F152 M171 E172 L177 I178 I179L148-V175 HydrophobicContact CD2-CG2 3.56Å; M151-V175 HydrophobicContact CE-CB 4.45Å; M151-V175 HydrophobicContact CE-CG1 4.27Å; M151-V175 HydrophobicContact CE-CG2 3.28Å; F152-V175 HydrophobicContact CE2-CB 4.38Å; F152-V175 HydrophobicContact CE2-CG1 4.16Å; F152-V175 HydrophobicContact CE2-CG2 4.17Å; F152-V175 HydrophobicContact CZ-CB 4.49Å; F152-V175 HydrophobicContact CZ-CG1 3.86Å; M171-V175 HydrophobicContact CG-CG2 4.44Å; M171-V175 WeakPolarHBondContact O-CB 3.37Å; M171-V175 WeakPolarHBondContact O-CG2 3.49Å; M171-V175 PolarHBondContact O-N 3.2Å; E172-V175 PolarHBondContact O-N 3.21Å; V175-L177 PolarHBondContact O-N 3.02Å; V175-I178 PolarHBondContact O-N 3.36Å; V175-I179 HydrophobicContact CG1-CD1 3.83Å; V175-I179 WeakPolarHBondContact O-CG1 3.48Å; V175-I179 PolarHBondContact O-N 3.41Å
176R94.2Very high83Confident94 Ų9474.1 Ų74.136%0.35539%0.387SS..Hα-helixtrans-57.6-47.4176.8-171.9-175.463.673.25.5111.5E172 E173 I178 I179 E180E172-R176 PolarHBondContact O-N 3.05Å; E173-R176 PolarHBondContact O-N 2.83Å; E173-R176 IonicContact OE1-NE 2.62Å; E173-R176 IonicContact OE2-CZ 2.66Å; E173-R176 VanDerWaalsContact OE2-CZ 3.24Å; E173-R176 IonicContact OE2-NE 3.52Å; E173-R176 PolarHBondContact OE2-NE 3.46Å; E173-R176 IonicContact OE2-NH2 3.81Å; E173-R176 PolarHBondContact OE2-NH2 3.2Å; R176-I178 VanDerWaalsContact C-N 3.31Å; R176-I178 PolarHBondContact O-N 3.44Å; R176-I179 PolarHBondContact O-N 2.85Å; R176-E180 HydrophobicContact CG-CG 4.4Å; R176-E180 WeakPolarHBondContact CG-OE1 3.44Å; R176-E180 IonicContact CZ-OE2 2.69Å; R176-E180 IonicContact NH1-OE1 3.57Å; R176-E180 IonicContact NH1-OE2 3.24Å; R176-E180 PolarHBondContact NH1-OE2 3.17Å; R176-E180 WeakPolarHBondContact O-CB 3.45Å; R176-E180 WeakPolarHBondContact O-CG 3.42Å; R176-E180 PolarHBondContact O-N 3.41Å
177L93.1Very high80.8Confident14 Ų1477 Ų777%0.07341%0.41CS..Hα-helixtrans-59.1-39.8177.6-71.9169.4000112.5I166 A167 E173 A174 V175 G181 D182 V183I166-L177 HydrophobicContact CB-CD1 3.84Å; I166-L177 HydrophobicContact CG2-CD1 3.58Å; A167-L177 HydrophobicContact CB-CD1 4.31Å; E173-L177 VanDerWaalsContact O-CG 3.26Å; E173-L177 WeakPolarHBondContact O-CG 3.29Å; E173-L177 PolarHBondContact O-N 2.81Å; A174-L177 PolarHBondContact O-N 3.08Å; V175-L177 PolarHBondContact O-N 3.02Å; L177-G181 PolarHBondContact O-N 3.48Å; L177-D182 HydrophobicContact CD2-CB 3.55Å; L177-D182 PolarHBondContact O-N 2.99Å; L177-V183 HydrophobicContact CB-CG2 4Å
178I92.3Very high78.2Confident29 Ų2982.1 Ų82.115%0.14944%0.44CS..Hα-helixtrans-68.8-40.7178.5-69.5163.9000111.2L148 F152 C155 A163 A174 V175 R176 V183L148-I178 HydrophobicContact CB-CD1 4.4Å; L148-I178 HydrophobicContact CD1-CD1 3.99Å; L148-I178 HydrophobicContact CD2-CD1 4.02Å; L148-I178 HydrophobicContact CG-CD1 4.38Å; F152-I178 HydrophobicContact CB-CG2 4.42Å; F152-I178 HydrophobicContact CD1-CG2 3.9Å; F152-I178 HydrophobicContact CD2-CB 4.47Å; F152-I178 HydrophobicContact CD2-CD1 4.18Å; F152-I178 HydrophobicContact CD2-CG2 3.85Å; F152-I178 HydrophobicContact CE1-CG2 4.04Å; F152-I178 HydrophobicContact CE2-CB 4.22Å; F152-I178 HydrophobicContact CE2-CD1 4.25Å; F152-I178 HydrophobicContact CE2-CG2 3.98Å; F152-I178 HydrophobicContact CG-CG2 3.8Å; F152-I178 HydrophobicContact CZ-CB 4.35Å; F152-I178 HydrophobicContact CZ-CG2 4.06Å; C155-I178 HydrophobicContact CB-CG2 4.43Å; A163-I178 HydrophobicContact CB-CD1 3.84Å; A163-I178 HydrophobicContact CB-CG1 3.72Å; A174-I178 WeakPolarHBondContact O-CD1 3.5Å; A174-I178 VanDerWaalsContact O-CG1 3.29Å; A174-I178 WeakPolarHBondContact O-CG1 3.18Å; A174-I178 PolarHBondContact O-N 3.05Å; V175-I178 PolarHBondContact O-N 3.36Å; R176-I178 VanDerWaalsContact C-N 3.31Å; R176-I178 PolarHBondContact O-N 3.44Å; I178-V183 HydrophobicContact CB-CG2 4.49Å; I178-V183 HydrophobicContact CG1-CG2 3.8Å
179I92.8Very high76.3Confident118 Ų11879.2 Ų79.261%0.60544%0.44SS*.Hα-helixtrans-68.2-43.8178.8-67.7168.3000111.3F152 V175 R176 G181F152-I179 HydrophobicContact CE1-CD1 4.28Å; F152-I179 HydrophobicContact CE1-CG1 3.64Å; F152-I179 HydrophobicContact CZ-CD1 4.03Å; F152-I179 HydrophobicContact CZ-CG1 3.68Å; V175-I179 HydrophobicContact CG1-CD1 3.83Å; V175-I179 WeakPolarHBondContact O-CG1 3.48Å; V175-I179 PolarHBondContact O-N 3.41Å; R176-I179 PolarHBondContact O-N 2.85Å; I179-G181 VanDerWaalsContact C-N 3.26Å; I179-G181 PolarHBondContact O-N 3.15Å
180E88.4Confident74.2Confident110 Ų11086 Ų8651%0.51447%0.47SS..Hα-helixtrans-77.4-14.5-178-68.6175.3-177.900112.5R176 D182R176-E180 HydrophobicContact CG-CG 4.4Å; R176-E180 WeakPolarHBondContact CG-OE1 3.44Å; R176-E180 IonicContact CZ-OE2 2.69Å; R176-E180 IonicContact NH1-OE1 3.57Å; R176-E180 IonicContact NH1-OE2 3.24Å; R176-E180 PolarHBondContact NH1-OE2 3.17Å; R176-E180 WeakPolarHBondContact O-CB 3.45Å; R176-E180 WeakPolarHBondContact O-CG 3.42Å; R176-E180 PolarHBondContact O-N 3.41Å; E180-D182 VanDerWaalsContact C-N 3.31Å
181G77.9Confident71.7Confident48 Ų4888.5 Ų88.550%0.49548%0.484SS..THydrogen-bonded Turntrans80.511.5-179.900000113.9L177 I179 V183L177-G181 PolarHBondContact O-N 3.48Å; I179-G181 VanDerWaalsContact C-N 3.26Å; I179-G181 PolarHBondContact O-N 3.15Å; G181-V183 PolarHBondContact O-N 3.47Å
182D71Confident69.2Low85 Ų8592.4 Ų92.446%0.45551%0.509SS..THydrogen-bonded Turntrans-74.5-2.6-177.3-78.2-8.6000113.5L177 E180 Q184L177-D182 HydrophobicContact CD2-CB 3.55Å; L177-D182 PolarHBondContact O-N 2.99Å; E180-D182 VanDerWaalsContact C-N 3.31Å; D182-Q184 CarbonylContact O-C 3.55Å; D182-Q184 PolarHBondContact O-N 2.91Å
183V67.4Low66.6Low18 Ų1892.5 Ų92.511%0.10951%0.514CS..THydrogen-bonded Turntrans-64.3-19.1176.5179.70000112.7E159 A163 L177 I178 G181 L185E159-V183 HydrophobicContact CB-CG1 4Å; E159-V183 HydrophobicContact CG-CG1 4.18Å; E159-V183 WeakPolarHBondContact O-CG1 3.35Å; A163-V183 HydrophobicContact CB-CG2 3.74Å; L177-V183 HydrophobicContact CB-CG2 4Å; I178-V183 HydrophobicContact CB-CG2 4.49Å; I178-V183 HydrophobicContact CG1-CG2 3.8Å; G181-V183 PolarHBondContact O-N 3.47Å; V183-L185 PolarHBondContact O-N 2.66Å
184Q61Low64.2Low156 Ų15697.2 Ų97.273%0.72954%0.536SS*.  trans-87.197.1163.9-75.1169.825.400108.1D182D182-Q184 CarbonylContact O-C 3.55Å; D182-Q184 PolarHBondContact O-N 2.91Å
185L47.3Very low61.9Low165 Ų165100.5 Ų100.586%0.86457%0.57SS**  trans172.473.2145.9-86.5-173000109.8V183V183-L185 PolarHBondContact O-N 2.66Å
186S38.2Very low59.6Low83 Ų83108.5 Ų108.558%0.5860%0.602SS**  trans-130.5120.7143.869.90000109.6T188S186-T188 PolarHBondContact O-N 2.98Å
187P44.2Very low57.5Low128 Ų128110.1 Ų110.183%0.83163%0.628SS**  trans-85.6105.5172.632.1-26.4000108
188T36.3Very low55.8Low124 Ų124116.3 Ų116.376%0.76166%0.659SS**  trans-135.4125.9149.3-26.30000107.7S186 I190S186-T188 PolarHBondContact O-N 2.98Å; T188-I190 PolarHBondContact O-N 3.31Å
189P50.7Low54.2Low121 Ų121117.9 Ų117.979%0.78667%0.673SS**  trans-92.2104.2-151.833.7-29.4000110.5
190I41.7Very low52.7Low162 Ų162117 Ų11783%0.83168%0.677SS**  trans-137.197.1161.2-55.7-178.7000110.5T188T188-I190 PolarHBondContact O-N 3.31Å
191N39.9Very low51.6Low123 Ų123117 Ų11766%0.65868%0.68SS**  trans62.287.7136.7-147.3-43.8000117.6N193N191-N193 PolarHBondContact O-N 3.17Å; N191-N193 PolarHBondContact OD1-ND2 2.96Å
192V40.8Very low51.3Low118 Ų118117 Ų11772%0.71568%0.675SS**  trans-66.3104.4162.1-155.70000108.8Q194V192-Q194 HydrophobicContact CG1-CG 3.6Å
193N39Very low51.6Low142 Ų142117.9 Ų117.976%0.75968%0.68SS**  trans-103.598.8153.4-79.3-73000108.1N191 G195N191-N193 PolarHBondContact O-N 3.17Å; N191-N193 PolarHBondContact OD1-ND2 2.96Å; N193-G195 PolarHBondContact O-N 3.39Å
194Q42.7Very low52.5Low176 Ų176122.2 Ų122.282%0.82270%0.7SS**  trans-64.3118.3179-63.4171.9-22.400110V192V192-Q194 HydrophobicContact CG1-CG 3.6Å
195G47.6Very low53.7Low68 Ų68121.2 Ų121.270%0.70169%0.693SS**  trans-113.981.7165.200000110.2N193N193-G195 PolarHBondContact O-N 3.39Å
196K45.9Very low55.6Low197 Ų197118.3 Ų118.386%0.85768%0.677SS**  trans156.1106.7140-83.4158.6-173.4177.80110.6I198K196-I198 PolarHBondContact O-N 3.38Å
197S48.9Very low58Low127 Ų127121 Ų12189%0.88868%0.678SS**  trans-60.397164.9175.70000109.5
198I56.8Low60Low144 Ų144120 Ų12074%0.73866%0.663SS**  trans-114.6131.6150.5-52.2178.9000104.5K196 S200K196-I198 PolarHBondContact O-N 3.38Å; I198-S200 PolarHBondContact O-N 2.83Å
199S60.5Low62.2Low63 Ų63117.2 Ų117.244%0.44165%0.649SS.*  trans-47.3105.9-154.153.90000115.1L201 A202 D203S199-L201 PolarHBondContact O-N 2.97Å; S199-A202 PolarHBondContact O-N 3.4Å; S199-A202 VanDerWaalsContact OG-CB 3.24Å; S199-A202 WeakPolarHBondContact OG-CB 3.26Å; S199-D203 PolarHBondContact O-N 3.15Å
200S60.8Low64.1Low98 Ų98115.7 Ų115.769%0.68563%0.633SS**Hα-helixtrans-51.2-26.2171.657.40000113.6I198 Q204I198-S200 PolarHBondContact O-N 2.83Å; S200-Q204 VanDerWaalsContact O-CB 3.29Å; S200-Q204 WeakPolarHBondContact O-CB 3.47Å; S200-Q204 PolarHBondContact O-N 3.2Å
201L64.4Low66.2Low110 Ų110111.3 Ų111.358%0.57661%0.61SS**Hα-helixtrans-71.4-32.5177.2-160.8113.2000113.3S199 K205S199-L201 PolarHBondContact O-N 2.97Å; L201-K205 WeakPolarHBondContact O-CG 3.17Å; L201-K205 PolarHBondContact O-N 3.42Å
202A72.8Confident68.1Low48 Ų48113.3 Ų113.340%0.39762%0.616SS.*Hα-helixtrans-74.2-41.9177.700000110.7S199 Q204 K205 L206S199-A202 PolarHBondContact O-N 3.4Å; S199-A202 VanDerWaalsContact OG-CB 3.24Å; S199-A202 WeakPolarHBondContact OG-CB 3.26Å; A202-Q204 VanDerWaalsContact C-N 3.31Å; A202-Q204 PolarHBondContact O-N 3.35Å; A202-K205 PolarHBondContact O-N 3.37Å; A202-L206 WeakPolarHBondContact O-CB 3.45Å; A202-L206 PolarHBondContact O-N 3.34Å
203D77.8Confident70.2Confident105 Ų105114.9 Ų114.956%0.56161%0.613SS**Hα-helixtrans-66.1-36176.2-70.9-8.4000111.7S199 L206 K207S199-D203 PolarHBondContact O-N 3.15Å; D203-L206 PolarHBondContact O-N 3.5Å; D203-K207 WeakPolarHBondContact O-CB 3.21Å; D203-K207 PolarHBondContact O-N 3.03Å
204Q84.5Confident72.3Confident109 Ų109116 Ų11651%0.50961%0.608SS.*Hα-helixtrans-64.6-43.3175.2-170.6166.215.700111.8S200 A202 K207 E208S200-Q204 VanDerWaalsContact O-CB 3.29Å; S200-Q204 WeakPolarHBondContact O-CB 3.47Å; S200-Q204 PolarHBondContact O-N 3.2Å; A202-Q204 VanDerWaalsContact C-N 3.31Å; A202-Q204 PolarHBondContact O-N 3.35Å; Q204-K207 PolarHBondContact O-N 3.18Å; Q204-E208 WeakPolarHBondContact O-CB 3.45Å; Q204-E208 VanDerWaalsContact O-CG 3.26Å; Q204-E208 WeakPolarHBondContact O-CG 3.28Å; Q204-E208 PolarHBondContact O-N 2.94Å
205K86.4Confident74.1Confident135 Ų135112.3 Ų112.359%0.58759%0.592SS**Hα-helixtrans-66.7-39.2175.3-74.5-177.4177.9-171.50113L201 A202 E208 S209L201-K205 WeakPolarHBondContact O-CG 3.17Å; L201-K205 PolarHBondContact O-N 3.42Å; A202-K205 PolarHBondContact O-N 3.37Å; K205-E208 PolarHBondContact O-N 2.96Å; K205-S209 VanDerWaalsContact O-CB 3.32Å; K205-S209 WeakPolarHBondContact O-CB 3.29Å; K205-S209 PolarHBondContact O-N 2.97Å
206L87.8Confident75.3Confident103 Ų103117.7 Ų117.754%0.53960%0.603SS.*Hα-helixtrans-64.9-43.7176.4-179.760.5000110.6A202 D203 S209 I210A202-L206 WeakPolarHBondContact O-CB 3.45Å; A202-L206 PolarHBondContact O-N 3.34Å; D203-L206 PolarHBondContact O-N 3.5Å; L206-S209 PolarHBondContact O-N 3.38Å; L206-I210 HydrophobicContact CD1-CD1 4.01Å; L206-I210 HydrophobicContact CD1-CG1 4.3Å; L206-I210 HydrophobicContact CG-CD1 3.91Å; L206-I210 VanDerWaalsContact O-CG1 3.26Å; L206-I210 WeakPolarHBondContact O-CG1 3.47Å; L206-I210 PolarHBondContact O-N 2.89Å
207K88.5Confident76.4Confident139 Ų139111.1 Ų111.160%0.60458%0.58SS**Hα-helixtrans-59.5-48.5174.3178.6174.5178.5-178.60111.5D203 Q204 S209 I210 L211D203-K207 WeakPolarHBondContact O-CB 3.21Å; D203-K207 PolarHBondContact O-N 3.03Å; Q204-K207 PolarHBondContact O-N 3.18Å; K207-S209 VanDerWaalsContact C-N 3.34Å; K207-S209 PolarHBondContact O-N 2.84Å; K207-I210 PolarHBondContact O-N 3.18Å; K207-L211 HydrophobicContact CG-CD1 3.71Å; K207-L211 WeakPolarHBondContact O-CB 3.24Å; K207-L211 WeakPolarHBondContact O-CD1 3.26Å; K207-L211 WeakPolarHBondContact O-CG 3.29Å; K207-L211 PolarHBondContact O-N 2.99Å
208E85.3Confident77.5Confident109 Ų109108.8 Ų108.851%0.50956%0.557SS.*Hα-helixtrans-59.2-42.9175.9-74.9168-169.900111.7Q204 K205 L211 E212Q204-E208 WeakPolarHBondContact O-CB 3.45Å; Q204-E208 VanDerWaalsContact O-CG 3.26Å; Q204-E208 WeakPolarHBondContact O-CG 3.28Å; Q204-E208 PolarHBondContact O-N 2.94Å; K205-E208 PolarHBondContact O-N 2.96Å; E208-L211 PolarHBondContact O-N 3.18Å; E208-E212 WeakPolarHBondContact O-CB 3.25Å; E208-E212 PolarHBondContact O-N 2.89Å
209S84.1Confident78.2Confident65 Ų65105.1 Ų105.146%0.45554%0.544SS..Hα-helixtrans-66.7-38.9178.4179.40000113.4K205 L206 K207 K213K205-S209 VanDerWaalsContact O-CB 3.32Å; K205-S209 WeakPolarHBondContact O-CB 3.29Å; K205-S209 PolarHBondContact O-N 2.97Å; L206-S209 PolarHBondContact O-N 3.38Å; K207-S209 VanDerWaalsContact C-N 3.34Å; K207-S209 PolarHBondContact O-N 2.84Å; S209-K213 VanDerWaalsContact O-CB 3.25Å; S209-K213 WeakPolarHBondContact O-CB 3.45Å; S209-K213 PolarHBondContact O-N 3.1Å
210I89.2Confident78.9Confident88 Ų88109.3 Ų109.345%0.45156%0.557SS.*Hα-helixtrans-68.2-43.8175.7-67.3166.7000109.7L206 K207 K213 Y214L206-I210 HydrophobicContact CD1-CD1 4.01Å; L206-I210 HydrophobicContact CD1-CG1 4.3Å; L206-I210 HydrophobicContact CG-CD1 3.91Å; L206-I210 VanDerWaalsContact O-CG1 3.26Å; L206-I210 WeakPolarHBondContact O-CG1 3.47Å; L206-I210 PolarHBondContact O-N 2.89Å; K207-I210 PolarHBondContact O-N 3.18Å; I210-K213 PolarHBondContact O-N 2.69Å; I210-Y214 HydrophobicContact CG2-CD2 3.99Å; I210-Y214 HydrophobicContact CG2-CE2 4.49Å; I210-Y214 VanDerWaalsContact O-CD2 3.26Å; I210-Y214 WeakPolarHBondContact O-CD2 3.26Å; I210-Y214 PolarHBondContact O-N 3.07Å; I210-Y214 VanDerWaalsContact O-N 3.11Å
211L86.1Confident79.3Confident70 Ų70111.1 Ų111.137%0.36656%0.555SS.*Hα-helixtrans-61.7-48.1176.5-80.5152000111.3K207 E208 K213 Y214 M215K207-L211 HydrophobicContact CG-CD1 3.71Å; K207-L211 WeakPolarHBondContact O-CB 3.24Å; K207-L211 WeakPolarHBondContact O-CD1 3.26Å; K207-L211 WeakPolarHBondContact O-CG 3.29Å; K207-L211 PolarHBondContact O-N 2.99Å; E208-L211 PolarHBondContact O-N 3.18Å; L211-K213 VanDerWaalsContact C-N 3.32Å; L211-K213 PolarHBondContact O-N 2.95Å; L211-Y214 PolarHBondContact O-N 3.33Å; L211-M215 HydrophobicContact CB-CE 4.39Å; L211-M215 HydrophobicContact CD2-CE 3.51Å; L211-M215 HydrophobicContact CD2-SD 3.55Å; L211-M215 VanDerWaalsContact CD2-SD 3.55Å; L211-M215 WeakPolarHBondContact O-CA 3.31Å; L211-M215 WeakPolarHBondContact O-CB 3.25Å; L211-M215 PolarHBondContact O-N 2.87Å
212E80.3Confident79.7Confident166 Ų166112.3 Ų112.378%0.77656%0.562SS**Hα-helixtrans-60.6-38.8177.8-175.9178.9-154.800112.7E208E208-E212 WeakPolarHBondContact O-CB 3.25Å; E208-E212 PolarHBondContact O-N 2.89Å
213K85.9Confident79.8Confident150 Ų150116.5 Ų116.565%0.65258%0.577SS**Hα-helixtrans-73.3-33.7-176.8-176.1176176.9-161.70113.6S209 I210 L211S209-K213 VanDerWaalsContact O-CB 3.25Å; S209-K213 WeakPolarHBondContact O-CB 3.45Å; S209-K213 PolarHBondContact O-N 3.1Å; I210-K213 PolarHBondContact O-N 2.69Å; L211-K213 VanDerWaalsContact C-N 3.32Å; L211-K213 PolarHBondContact O-N 2.95Å
214Y83Confident79.8Confident167 Ų167119.5 Ų119.566%0.65559%0.585SS**Hα-helixtrans-115.4-17-170.3-64.9-77.5000113.9I210 L211I210-Y214 HydrophobicContact CG2-CD2 3.99Å; I210-Y214 HydrophobicContact CG2-CE2 4.49Å; I210-Y214 VanDerWaalsContact O-CD2 3.26Å; I210-Y214 WeakPolarHBondContact O-CD2 3.26Å; I210-Y214 PolarHBondContact O-N 3.07Å; I210-Y214 VanDerWaalsContact O-N 3.11Å; L211-Y214 PolarHBondContact O-N 3.33Å
215M78.8Confident79.4Confident97 Ų97119.3 Ų119.348%0.47859%0.592SS.*SBendtrans-98.7118.6176.6-157.3163.670.900108.1L211 V217L211-M215 HydrophobicContact CB-CE 4.39Å; L211-M215 HydrophobicContact CD2-CE 3.51Å; L211-M215 HydrophobicContact CD2-SD 3.55Å; L211-M215 VanDerWaalsContact CD2-SD 3.55Å; L211-M215 WeakPolarHBondContact O-CA 3.31Å; L211-M215 WeakPolarHBondContact O-CB 3.25Å; L211-M215 PolarHBondContact O-N 2.87Å; M215-V217 HydrophobicContact CB-CG2 3.75Å; M215-V217 HydrophobicContact CE-CB 4.48Å; M215-V217 HydrophobicContact CE-CG2 3.06Å; M215-V217 HydrophobicContact CG-CG2 3.54Å; M215-V217 PolarHBondContact O-N 3.3Å; M215-V217 HydrophobicContact SD-CG2 4.03Å
216L74.6Confident79Confident181 Ų181120.6 Ų120.695%0.94860%0.6SS**  trans-7177.2165.8-89.787.6000108.1D218L216-D218 PolarHBondContact O-N 3.31Å
217V67.7Low78.4Confident60 Ų60125.6 Ų125.636%0.36461%0.612SS.*  trans-86.6106.5171.4-1690000107.1M215 S219M215-V217 HydrophobicContact CB-CG2 3.75Å; M215-V217 HydrophobicContact CE-CB 4.48Å; M215-V217 HydrophobicContact CE-CG2 3.06Å; M215-V217 HydrophobicContact CG-CG2 3.54Å; M215-V217 PolarHBondContact O-N 3.3Å; M215-V217 HydrophobicContact SD-CG2 4.03Å; V217-S219 PolarHBondContact O-N 2.7Å; V217-S219 PolarHBondContact O-OG 3.4Å
218D72.6Confident77.9Confident77 Ų77123.9 Ų123.941%0.41261%0.614SS.*  trans-73.879.5167.7-158.9-11.1000109.6L216 E220 E221 D222L216-D218 PolarHBondContact O-N 3.31Å; D218-E220 PolarHBondContact O-N 3.42Å; D218-E220 VanDerWaalsContact O-N 3.14Å; D218-E220 WeakPolarHBondContact OD1-CG 3.27Å; D218-E220 PolarHBondContact OD1-N 3.19Å; D218-E221 HydrophobicContact CB-CB 4.38Å; D218-E221 PolarHBondContact O-N 2.97Å; D218-E221 VanDerWaalsContact O-N 3.15Å; D218-D222 PolarHBondContact O-N 3.38Å
219S70.9Confident77.4Confident67 Ų67124.8 Ų124.847%0.46963%0.627SS.*Hα-helixtrans-62.7-19.6-178.4-56.60000111.1V217 N223V217-S219 PolarHBondContact O-N 2.7Å; V217-S219 PolarHBondContact O-OG 3.4Å; S219-N223 PolarHBondContact O-N 2.92Å; S219-N223 PolarHBondContact O-ND2 3.24Å
220E74.6Confident77Confident152 Ų152125.2 Ų125.271%0.7164%0.635SS**Hα-helixtrans-72.7-34.5178.2100.3-174.1167.700111.9D218D218-E220 PolarHBondContact O-N 3.42Å; D218-E220 VanDerWaalsContact O-N 3.14Å; D218-E220 WeakPolarHBondContact OD1-CG 3.27Å; D218-E220 PolarHBondContact OD1-N 3.19Å
221E69.2Low76.4Confident136 Ų136126.9 Ų126.964%0.63665%0.651SS**Hα-helixtrans-75.9-41.3178.6-127.1-173.9170.100111.6D218 N223 K224D218-E221 HydrophobicContact CB-CB 4.38Å; D218-E221 PolarHBondContact O-N 2.97Å; D218-E221 VanDerWaalsContact O-N 3.15Å; E221-N223 VanDerWaalsContact C-N 3.32Å; E221-N223 PolarHBondContact O-N 2.91Å; E221-K224 WeakPolarHBondContact O-CA 3.46Å; E221-K224 VanDerWaalsContact O-CB 3.26Å; E221-K224 WeakPolarHBondContact O-CB 3.21Å; E221-K224 PolarHBondContact O-N 3.3Å
222D74.3Confident75.9Confident134 Ų134132.8 Ų132.872%0.71767%0.674SS**Hα-helixtrans-65.3-33.5179-93.3-1.3000112.9D218 K224D218-D222 PolarHBondContact O-N 3.38Å; D222-K224 PolarHBondContact O-N 3.16Å
223N73.9Confident75.6Confident136 Ų136132 Ų13273%0.72768%0.675SS**THydrogen-bonded Turntrans-70.2-16173.4-77.6-55.9000112.7S219 E221 T225S219-N223 PolarHBondContact O-N 2.92Å; S219-N223 PolarHBondContact O-ND2 3.24Å; E221-N223 VanDerWaalsContact C-N 3.32Å; E221-N223 PolarHBondContact O-N 2.91Å; N223-T225 PolarHBondContact O-N 2.94Å; N223-T225 VanDerWaalsContact O-N 3.17Å
224K77.8Confident75.1Confident168 Ų168128.7 Ų128.773%0.7368%0.676SS**SBendtrans-89.579.9180-162.2177.5-177.5-179.40109.7E221 D222 H226E221-K224 WeakPolarHBondContact O-CA 3.46Å; E221-K224 VanDerWaalsContact O-CB 3.26Å; E221-K224 WeakPolarHBondContact O-CB 3.21Å; E221-K224 PolarHBondContact O-N 3.3Å; D222-K224 PolarHBondContact O-N 3.16Å; K224-H226 PolarHBondContact O-N 3.09Å
225T76.3Confident74.9Confident105 Ų105126.7 Ų126.764%0.64468%0.683SS**  trans-60.9104.8172.9-460000110.2N223 R227N223-T225 PolarHBondContact O-N 2.94Å; N223-T225 VanDerWaalsContact O-N 3.17Å; T225-R227 HydrophobicContact CG2-CG 4.33Å; T225-R227 PolarHBondContact O-N 3Å
226H77.6Confident74.8Confident163 Ų163130.3 Ų130.376%0.75570%0.696SS**  trans-65.797.1171.1179.2-90.4000108.8K224 P228K224-H226 PolarHBondContact O-N 3.09Å; H226-P228 WeakPolarHBondContact O-CD 3.18Å
227R76.8Confident75Confident208 Ų208131.2 Ų131.279%0.78569%0.692SS**  trans-81.5108.4173.3-63.9-172.3-176.8-156.30.1107.3T225 V229T225-R227 HydrophobicContact CG2-CG 4.33Å; T225-R227 PolarHBondContact O-N 3Å; R227-V229 PolarHBondContact O-N 2.9Å; R227-V229 VanDerWaalsContact O-N 3.16Å
228P76.4Confident75.7Confident102 Ų102132.1 Ų132.166%0.66270%0.695SS**PPolyproline II helixtrans-56.6128.2172.924.4-32.2000107.7H226 A230H226-P228 WeakPolarHBondContact O-CD 3.18Å; P228-A230 PolarHBondContact O-N 2.96Å; P228-A230 VanDerWaalsContact O-N 3.09Å
229V75Confident76.2Confident128 Ų128131.7 Ų131.778%0.77670%0.695SS**PPolyproline II helixtrans-57.3120.8178178.70000107.1R227R227-V229 PolarHBondContact O-N 2.9Å; R227-V229 VanDerWaalsContact O-N 3.16Å
230A76.2Confident76.8Confident75 Ų75134.8 Ų134.862%0.6270%0.697SS**PPolyproline II helixtrans-51136.1178.500000109.1P228 K232P228-A230 PolarHBondContact O-N 2.96Å; P228-A230 VanDerWaalsContact O-N 3.09Å; A230-K232 PolarHBondContact O-N 3.04Å
231P76.5Confident77.3Confident122 Ų122135 Ų13579%0.79269%0.692SS**PPolyproline II helixtrans-48.3121.8177-27.434.5000109.1D233P231-D233 PolarHBondContact O-N 3.36Å
232K75.2Confident77.9Confident195 Ų195134.8 Ų134.885%0.84869%0.691SS**  trans-57.1114.1-179.1-77.6-177.5175.71760107.9A230 A234A230-K232 PolarHBondContact O-N 3.04Å; K232-A234 PolarHBondContact O-N 3.13Å; K232-A234 VanDerWaalsContact O-N 3.17Å
233D74.1Confident78.1Confident148 Ų148131.6 Ų131.679%0.79169%0.689SS**PPolyproline II helixtrans-54.4124175.3-87.7-27.9000108.9P231P231-D233 PolarHBondContact O-N 3.36Å
234A75.3Confident78.5Confident82 Ų82133 Ų13368%0.67870%0.696SS**PPolyproline II helixtrans-55.9138.3176.400000109.2K232 K236K232-A234 PolarHBondContact O-N 3.13Å; K232-A234 VanDerWaalsContact O-N 3.17Å; A234-K236 PolarHBondContact O-N 3.17Å; A234-K236 VanDerWaalsContact O-N 3.13Å
235P78.3Confident78.6Confident124 Ų124131.8 Ų131.881%0.80569%0.693SS**PPolyproline II helixtrans-55.7124.5-176.221.3-32000110K237P235-K237 PolarHBondContact O-N 3.23Å
236K78.3Confident78.9Confident173 Ų173130 Ų13075%0.75268%0.682SS**PPolyproline II helixtrans-60.4131.8-176.5-67.6-180-179175.50109.4A234 L238A234-K236 PolarHBondContact O-N 3.17Å; A234-K236 VanDerWaalsContact O-N 3.13Å; K236-L238 HydrophobicContact CB-CD2 4.45Å; K236-L238 PolarHBondContact O-N 3.02Å
237K77.3Confident78.9Confident200 Ų200124 Ų12487%0.8766%0.657SS**  trans-69.5102171.9-66-174.4178.3-179.20108.8P235P235-K237 PolarHBondContact O-N 3.23Å
238L82.8Confident79Confident79 Ų79114.4 Ų114.441%0.41462%0.622SS.*  trans-83.9-17.3-178.3-61.6177.1000113.4K236 T249 G251K236-L238 HydrophobicContact CB-CD2 4.45Å; K236-L238 PolarHBondContact O-N 3.02Å; L238-T249 WeakPolarHBondContact CB-O 3.31Å; L238-T249 CarbonylContact O-C 3.55Å; L238-G251 PolarHBondContact O-N 3.06Å
239V84.3Confident79Confident69 Ų69113.3 Ų113.342%0.41861%0.613SS.*  trans-85.5123.3-176.7-174.60000110.3Y241 V246 T248V239-Y241 HydrophobicContact CG1-CD2 4.4Å; V239-Y241 HydrophobicContact CG1-CE2 3.7Å; V239-V246 HydrophobicContact CG1-CG1 3.9Å; V239-V246 HydrophobicContact CG1-CG2 4.31Å; V239-T248 CarbonylContact C-O 3.56Å; V239-T248 WeakPolarHBondContact CA-O 3.38Å
240R83.4Confident79.2Confident132 Ų132114.6 Ų114.650%0.49861%0.608SS.*EExtended strand (participates in β ladder)trans-123.3143.9174.9-54.6-177.4175.1-172.5-4.8111.1V247 T248R240-V247 PolarHBondContact O-N 2.9Å; R240-T248 VanDerWaalsContact CB-OG1 3.32Å; R240-T248 WeakPolarHBondContact CB-OG1 3.32Å; R240-T248 WeakPolarHBondContact CG-OG1 3.22Å; R240-T248 PolarHBondContact N-O 3.12Å
241Y85Confident79.2Confident155 Ų155112.4 Ų112.461%0.60859%0.593SS**EExtended strand (participates in β ladder)trans-113.3145.5-178.4-64.8-96.6000111.3V239 Q245 V246V239-Y241 HydrophobicContact CG1-CD2 4.4Å; V239-Y241 HydrophobicContact CG1-CE2 3.7Å; Y241-Q245 VanDerWaalsContact CA-O 3.31Å; Y241-Q245 WeakPolarHBondContact CA-O 3.18Å; Y241-V246 HydrophobicContact CD1-CG2 3.93Å; Y241-V246 HydrophobicContact CE1-CB 4.46Å; Y241-V246 HydrophobicContact CE1-CG2 3.34Å
242H81.8Confident79.4Confident133 Ų133112 Ų11262%0.61658%0.58SS**EExtended strand (participates in β ladder)trans-141.9123.7167.6-177.5-89.6000107.8N244 Q245 V247H242-N244 PolarHBondContact O-N 2.99Å; H242-Q245 PolarHBondContact N-O 3.34Å; H242-Q245 PolarHBondContact O-N 2.84Å; H242-V247 HydrophobicContact CB-CG2 3.57Å
243G79.1Confident79.4Confident66 Ų66112.6 Ų112.668%0.6858%0.577SS**THydrogen-bonded Turntrans57.146.9-176.900000113.5Q245G243-Q245 PolarHBondContact O-N 2.94Å
244N81.7Confident79.6Confident165 Ų165115.2 Ų115.288%0.88258%0.577SS**THydrogen-bonded Turntrans59.35.7-178.4-59.976.8000115.6H242H242-N244 PolarHBondContact O-N 2.99Å
245Q79.9Confident79.4Confident143 Ų143115.6 Ų115.667%0.66857%0.565SS**EExtended strand (participates in β ladder)trans-104.3140.9175.9-167.4170.825.500110.6Y241 H242 G243 V247Y241-Q245 VanDerWaalsContact CA-O 3.31Å; Y241-Q245 WeakPolarHBondContact CA-O 3.18Å; H242-Q245 PolarHBondContact N-O 3.34Å; H242-Q245 PolarHBondContact O-N 2.84Å; G243-Q245 PolarHBondContact O-N 2.94Å; Q245-V247 PolarHBondContact O-N 3.37Å
246V81.7Confident79.3Confident67 Ų67116.6 Ų116.641%0.40656%0.563SS.*EExtended strand (participates in β ladder)trans-70.3120.7173.1177.10000108.5V239 Y241 T249V239-V246 HydrophobicContact CG1-CG1 3.9Å; V239-V246 HydrophobicContact CG1-CG2 4.31Å; Y241-V246 HydrophobicContact CD1-CG2 3.93Å; Y241-V246 HydrophobicContact CE1-CB 4.46Å; Y241-V246 HydrophobicContact CE1-CG2 3.34Å; V246-T249 HydrophobicContact CG1-CG2 3.61Å
247V77.8Confident79.1Confident38 Ų38113 Ų11323%0.2356%0.555CS.*EExtended strand (participates in β ladder)trans-101-55.3-178.31780000110.5R240 H242 Q245 Q255R240-V247 PolarHBondContact O-N 2.9Å; H242-V247 HydrophobicContact CB-CG2 3.57Å; Q245-V247 PolarHBondContact O-N 3.37Å; V247-Q255 HydrophobicContact CG1-CB 3.34Å; V247-Q255 HydrophobicContact CG1-CG 3.41Å; V247-Q255 VanDerWaalsContact CG1-CG 3.41Å; V247-Q255 PolarHBondContact O-NE2 3.23Å; V247-Q255 PolarHBondContact O-OE1 3.05Å
248T78.6Confident78.8Confident7 Ų7111.3 Ų111.34%0.04355%0.548CS..EExtended strand (participates in β ladder)trans-116.8140.5176.656.70000110.4V239 R240 E252V239-T248 CarbonylContact C-O 3.56Å; V239-T248 WeakPolarHBondContact CA-O 3.38Å; R240-T248 VanDerWaalsContact CB-OG1 3.32Å; R240-T248 WeakPolarHBondContact CB-OG1 3.32Å; R240-T248 WeakPolarHBondContact CG-OG1 3.22Å; R240-T248 PolarHBondContact N-O 3.12Å; T248-E252 HydrophobicContact CG2-CB 3.96Å
249T77.2Confident78.2Confident78 Ų78116 Ų11648%0.47957%0.565SS.*SBendtrans-116.1-8.7172.956.70000112.5L238 V246L238-T249 WeakPolarHBondContact CB-O 3.31Å; L238-T249 CarbonylContact O-C 3.55Å; V246-T249 HydrophobicContact CG1-CG2 3.61Å
250K79.2Confident77.1Confident156 Ų156120.3 Ų120.368%0.67859%0.585SS**SBendtrans-117.27.7-174.7-56.6-60.7-178.5-179.50113.6
251G76Confident75.9Confident28 Ų28119 Ų11929%0.28959%0.585SS.*  trans77.919.5177.100000115.6L238L238-G251 PolarHBondContact O-N 3.06Å
252E81.4Confident74.7Confident113 Ų113115.9 Ų115.953%0.52858%0.583SS.*  trans-60.5144.9176.6-62.1176.8172.600111.8T248T248-E252 HydrophobicContact CG2-CB 3.96Å
253R73.8Confident73.7Confident208 Ų208114.7 Ų114.779%0.78558%0.58SS**SBendtrans-79.8-27.7-173.2-69.9-167-70.7-165-1.9113.9
254Y79Confident72.8Confident203 Ų203116 Ų11680%0.79657%0.572SS**  trans-140.1137.2-177.3-57.4-75.8000109.5
255Q71.9Confident71.8Confident90 Ų90114 Ų11442%0.42156%0.559SS.*  trans-120130.4171.8-167.2116.9-6.500109.2V247 V257V247-Q255 HydrophobicContact CG1-CB 3.34Å; V247-Q255 HydrophobicContact CG1-CG 3.41Å; V247-Q255 VanDerWaalsContact CG1-CG 3.41Å; V247-Q255 PolarHBondContact O-NE2 3.23Å; V247-Q255 PolarHBondContact O-OE1 3.05Å; Q255-V257 PolarHBondContact O-N 3.02Å
256L74.6Confident70.9Confident145 Ų145113.4 Ų113.476%0.75955%0.554SS**  trans-72.2100.4170.8-176.366.1000109K258L256-K258 HydrophobicContact CD2-CG 4.47Å; L256-K258 HydrophobicContact CG-CG 4.48Å; L256-K258 PolarHBondContact O-N 3.25Å
257V73.9Confident70Confident97 Ų97117.3 Ų117.359%0.58857%0.565SS**  trans-74.395.9171.2-177.50000107.8Q255 K259Q255-V257 PolarHBondContact O-N 3.02Å; V257-K259 PolarHBondContact O-N 2.92Å
258K72.4Confident69.2Low165 Ų165121 Ų12172%0.71759%0.588SS**  trans-68.5114.8166.2-72.1-176.4179.6178.40107.3L256 N260L256-K258 HydrophobicContact CD2-CG 4.47Å; L256-K258 HydrophobicContact CG-CG 4.48Å; L256-K258 PolarHBondContact O-N 3.25Å; K258-N260 PolarHBondContact O-N 2.81Å; K258-N260 VanDerWaalsContact O-N 3.12Å
259K69.4Low68.4Low179 Ų179129 Ų12978%0.77862%0.619SS**  trans-62.8114.2164.7-66.5-177178.9178.10106.1V257 E261V257-K259 PolarHBondContact O-N 2.92Å; K259-E261 HydrophobicContact CB-CG 4.48Å; K259-E261 PolarHBondContact O-N 3.45Å
260N61.1Low68Low158 Ų158130.9 Ų130.985%0.84563%0.63SS**  trans-67.879.9163.6-73.8-30.3000106.2K258 T262K258-N260 PolarHBondContact O-N 2.81Å; K258-N260 VanDerWaalsContact O-N 3.12Å; N260-T262 PolarHBondContact O-N 3.11Å; N260-T262 VanDerWaalsContact O-N 3.11Å
261E57.7Low67.4Low104 Ų104129.4 Ų129.449%0.48663%0.63SS.*  trans-63.5111.4162.1-75-177.6169.700105.7K259 D263K259-E261 HydrophobicContact CB-CG 4.48Å; K259-E261 PolarHBondContact O-N 3.45Å; E261-D263 PolarHBondContact O-N 3.23Å
262T60.5Low67Low91 Ų91135.6 Ų135.656%0.55866%0.655SS**  trans-49.4128.6174.3-35.20000107.5N260 D264 M265N260-T262 PolarHBondContact O-N 3.11Å; N260-T262 VanDerWaalsContact O-N 3.11Å; T262-D264 PolarHBondContact O-N 3.38Å; T262-M265 PolarHBondContact O-N 3.38Å
263D61.1Low66.8Low107 Ų107139.6 Ų139.657%0.57267%0.671SS**THydrogen-bonded Turntrans-57.2-9.9-172.3-143.616.3000113.3E261E261-D263 PolarHBondContact O-N 3.23Å
264D59.7Low66.7Low95 Ų95135.5 Ų135.551%0.50867%0.671SS.*THydrogen-bonded Turntrans-70.2-30172.1-63.7-37.5000114.1T262 K266 K267T262-D264 PolarHBondContact O-N 3.38Å; D264-K266 VanDerWaalsContact C-N 3.26Å; D264-K266 PolarHBondContact O-N 3.34Å; D264-K267 PolarHBondContact O-N 2.91Å; D264-K267 IonicContact OD1-NZ 3.8Å; D264-K267 PolarHBondContact OD1-NZ 2.79Å
265M60.8Low66.2Low123 Ų123130.3 Ų130.361%0.60667%0.671SS**THydrogen-bonded Turntrans-68.9-25.2178.5-73.5175.361.100112.7T262T262-M265 PolarHBondContact O-N 3.38Å
266K61.5Low66.2Low130 Ų130137.5 Ų137.557%0.56569%0.694SS**THydrogen-bonded Turntrans-79.6-21.8-179.8-65.7179.1-174.91660113.3D264D264-K266 VanDerWaalsContact C-N 3.26Å; D264-K266 PolarHBondContact O-N 3.34Å
267K62.4Low66.1Low148 Ų148140.1 Ų140.164%0.64370%0.699SS**THydrogen-bonded Turntrans-76.4-23.9-179.2-61.1173.1-168160.20112.7D264 Y269D264-K267 PolarHBondContact O-N 2.91Å; D264-K267 IonicContact OD1-NZ 3.8Å; D264-K267 PolarHBondContact OD1-NZ 2.79Å; K267-Y269 VanDerWaalsContact C-N 3.3Å; K267-Y269 PolarHBondContact O-N 2.86Å
268T61.4Low65.6Low116 Ų116144.8 Ų144.871%0.71271%0.707SS**THydrogen-bonded Turntrans-84.6-3.6-177.5-42.70000113V270T268-V270 PolarHBondContact O-N 3.08Å
269Y61.6Low65.1Low175 Ų175147.3 Ų147.369%0.68671%0.712SS**  trans-79.486.5-177.6-158.7-101000111.5K267 N271K267-Y269 VanDerWaalsContact C-N 3.3Å; K267-Y269 PolarHBondContact O-N 2.86Å; Y269-N271 WeakPolarHBondContact CE1-OD1 3.14Å; Y269-N271 PolarHBondContact O-N 3.47Å
270V68.6Low64.7Low117 Ų117147.5 Ų147.571%0.70971%0.714SS**  trans-81.3106.6172.3-179.50000109.2T268 L272T268-V270 PolarHBondContact O-N 3.08Å; V270-L272 HydrophobicContact CG1-CG 4.39Å; V270-L272 PolarHBondContact O-N 2.97Å; V270-L272 VanDerWaalsContact O-N 3.08Å
271N65.8Low64.6Low126 Ų126151.7 Ų151.767%0.67473%0.728SS**  trans-72.494.8172.6-78.4-68000110.6Y269 K273Y269-N271 WeakPolarHBondContact CE1-OD1 3.14Å; Y269-N271 PolarHBondContact O-N 3.47Å; N271-K273 PolarHBondContact O-N 3.49Å
272L68.8Low64.9Low157 Ų157154.1 Ų154.182%0.82274%0.74SS**PPolyproline II helixtrans-75120.8171.3-73.1162.8000109.8V270V270-L272 HydrophobicContact CG1-CG 4.39Å; V270-L272 PolarHBondContact O-N 2.97Å; V270-L272 VanDerWaalsContact O-N 3.08Å
273K76.7Confident65.2Low197 Ų197157.4 Ų157.486%0.85775%0.749SS**PPolyproline II helixtrans-64.2141.6175.8-72.2-176.2178.3175.90110.3N271N271-K273 PolarHBondContact O-N 3.49Å
274P72.9Confident65.4Low123 Ų123160.2 Ų160.280%0.79976%0.759SS**PPolyproline II helixtrans-59.9138.4175.5-20.430.8000111.8R276P274-R276 PolarHBondContact O-N 3.47Å
275A68.3Low65.7Low94 Ų94164.1 Ų164.178%0.77777%0.774SS**PPolyproline II helixtrans-63.6128.1177.400000111.1K277A275-K277 PolarHBondContact O-N 3.26Å
276R72.2Confident66Low240 Ų240166.6 Ų166.691%0.90679%0.785SS**  trans-64.5113.7173.7-93.6178.5161.4168.6-6.3109.3P274 Y278P274-R276 PolarHBondContact O-N 3.47Å; R276-Y278 PolarHBondContact O-N 3.18Å
277K71.8Confident66.3Low200 Ų200169.1 Ų169.187%0.8780%0.799SS**  trans-73.2109.7170.4-64-169.8178.8-174.30108.8A275 R279A275-K277 PolarHBondContact O-N 3.26Å; K277-R279 PolarHBondContact O-N 3.4Å
278Y63.2Low66.6Low195 Ų195170.6 Ų170.677%0.76581%0.81SS**  trans-69122.5167-111.3-98.3000108.5R276 F280R276-Y278 PolarHBondContact O-N 3.18Å; Y278-F280 HydrophobicContact CD1-CE2 4.13Å; Y278-F280 HydrophobicContact CD1-CZ 4.21Å
279R61.5Low67Low218 Ų218174.8 Ų174.882%0.82382%0.818SS**  trans-95.5109.9166.9-82.3-174.7164.9171.3-4.2107.4K277K277-R279 PolarHBondContact O-N 3.4Å
280F61.9Low67.5Low184 Ų184174.8 Ų174.881%0.80783%0.829SS**  trans-79.9124.7163.3-75.5-86.6000107.5Y278Y278-F280 HydrophobicContact CD1-CE2 4.13Å; Y278-F280 HydrophobicContact CD1-CZ 4.21Å
281H58.2Low67.4Low246 Ų246180 Ų180100%1.13984%0.84SS**  trans-86.80169.3-77.7-69000109.5

Retrieved 281 of 281 residues in 259.9 ms (Link to these results)