A0A087XY29_POEFO Loading...

Protein ZIP4 homolog

AlphaFold DB , UniProt , Accession A0A087XY29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 909 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
1M65.1Low78Confident121 Ų12166.6 Ų66.660%0.59634%0.337SS*.  0-52.20-76.9-54.3-73.100112.6H3 F4 V5 I43M1-H3 VanDerWaalsContact C-N 3.26Å; M1-H3 PolarHBondContact O-N 2.84Å; M1-F4 WeakPolarHBondContact O-CA 3.27Å; M1-F4 VanDerWaalsContact O-CB 3.3Å; M1-F4 WeakPolarHBondContact O-CB 3.15Å; M1-F4 PolarHBondContact O-N 2.93Å; M1-V5 PolarHBondContact O-N 2.8Å; M1-V5 VanDerWaalsContact O-N 3.09Å; M1-I43 HydrophobicContact CE-CB 4.48Å; M1-I43 HydrophobicContact CE-CD1 3.2Å; M1-I43 HydrophobicContact CE-CG1 3.79Å; M1-I43 HydrophobicContact CE-CG2 4.05Å
2E67.5Low78.3Confident152 Ų15261.1 Ų61.171%0.7131%0.309SS*.Hα-helixtrans-56.6-38.8174.9-67179.9161.600113.4F4 V5 S6E2-F4 VanDerWaalsContact C-N 3.27Å; E2-F4 PolarHBondContact O-N 3.43Å; E2-V5 PolarHBondContact O-N 2.81Å; E2-S6 WeakPolarHBondContact O-CB 3.37Å; E2-S6 PolarHBondContact O-N 3.25Å
3H75.2Confident78.8Confident142 Ų14261.7 Ų61.766%0.65731%0.314SS*.Hα-helixtrans-60.2-35172.9-174.758.9000113M1 T7M1-H3 VanDerWaalsContact C-N 3.26Å; M1-H3 PolarHBondContact O-N 2.84Å; H3-T7 VanDerWaalsContact O-CB 3.28Å; H3-T7 WeakPolarHBondContact O-CB 3.45Å; H3-T7 PolarHBondContact O-N 3.21Å; H3-T7 PolarHBondContact O-OG1 3.31Å
4F78.9Confident79Confident22 Ų2261.5 Ų61.510%0.09631%0.314CS..Hα-helixtrans-69.1-47.8176.2173.6-93.4000111.2M1 E2 S6 T7 V8 K33 L37 L83M1-F4 WeakPolarHBondContact O-CA 3.27Å; M1-F4 VanDerWaalsContact O-CB 3.3Å; M1-F4 WeakPolarHBondContact O-CB 3.15Å; M1-F4 PolarHBondContact O-N 2.93Å; E2-F4 VanDerWaalsContact C-N 3.27Å; E2-F4 PolarHBondContact O-N 3.43Å; F4-S6 PolarHBondContact O-N 2.75Å; F4-T7 PolarHBondContact O-N 3.25Å; F4-V8 HydrophobicContact CD1-CG2 4.31Å; F4-V8 HydrophobicContact CD2-CG2 4.37Å; F4-V8 HydrophobicContact CE1-CG2 3.77Å; F4-V8 HydrophobicContact CE2-CG2 3.81Å; F4-V8 HydrophobicContact CZ-CG2 3.46Å; F4-V8 VanDerWaalsContact CZ-CG2 3.46Å; F4-V8 WeakPolarHBondContact O-CG2 3.48Å; F4-V8 PolarHBondContact O-N 3.32Å; F4-K33 HydrophobicContact CD2-CD 4.35Å; F4-K33 HydrophobicContact CD2-CG 4.23Å; F4-K33 HydrophobicContact CE2-CD 4.36Å; F4-K33 HydrophobicContact CE2-CG 3.89Å; F4-L37 HydrophobicContact CD2-CD1 4.29Å; F4-L37 HydrophobicContact CE1-CD1 4.01Å; F4-L37 HydrophobicContact CE1-CD2 4.06Å; F4-L37 HydrophobicContact CE2-CD1 3.31Å; F4-L37 HydrophobicContact CZ-CD1 3.14Å; F4-L37 HydrophobicContact CZ-CD2 4.02Å; F4-L37 HydrophobicContact CZ-CG 4.2Å; F4-L83 HydrophobicContact CE1-CD2 4.33Å; F4-L83 HydrophobicContact CZ-CD2 4.36Å
5V77.4Confident79.1Confident9 Ų957.5 Ų57.56%0.05529%0.293CS..Hα-helixtrans-59.5-46.4177.5179.20000111.1M1 E2 T7 V8 K9 Y45 Q47 L48M1-V5 PolarHBondContact O-N 2.8Å; M1-V5 VanDerWaalsContact O-N 3.09Å; E2-V5 PolarHBondContact O-N 2.81Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 2.79Å; V5-V8 PolarHBondContact O-N 3.43Å; V5-K9 WeakPolarHBondContact O-CB 3.45Å; V5-K9 PolarHBondContact O-N 3.45Å; V5-Y45 HydrophobicContact CG2-CD2 4.01Å; V5-Y45 HydrophobicContact CG2-CE2 4.33Å; V5-Y45 HydrophobicContact CG2-CG 4.4Å; V5-Q47 HydrophobicContact CG1-CB 4.49Å; V5-L48 HydrophobicContact CB-CD2 4.35Å; V5-L48 HydrophobicContact CG1-CD2 4.07Å; V5-L48 HydrophobicContact CG1-CG 4.12Å; V5-L48 HydrophobicContact CG2-CD1 3.94Å; V5-L48 HydrophobicContact CG2-CD2 4.19Å; V5-L48 HydrophobicContact CG2-CG 4Å
6S79.8Confident79.2Confident68 Ų6858.1 Ų58.148%0.47630%0.297SS..Hα-helixtrans-61.5-40.8176.5173.20000112.3E2 F4 T10E2-S6 WeakPolarHBondContact O-CB 3.37Å; E2-S6 PolarHBondContact O-N 3.25Å; F4-S6 PolarHBondContact O-N 2.75Å; S6-T10 WeakPolarHBondContact O-CB 3.41Å; S6-T10 PolarHBondContact O-N 3.05Å; S6-T10 PolarHBondContact O-OG1 3.23Å
7T80.6Confident79.1Confident25 Ų2561.5 Ų61.515%0.15331%0.311CS..Hα-helixtrans-66.5-46.5178-59.50000111.8H3 F4 V5 K9 T10 F11H3-T7 VanDerWaalsContact O-CB 3.28Å; H3-T7 WeakPolarHBondContact O-CB 3.45Å; H3-T7 PolarHBondContact O-N 3.21Å; H3-T7 PolarHBondContact O-OG1 3.31Å; F4-T7 PolarHBondContact O-N 3.25Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 2.79Å; T7-K9 VanDerWaalsContact C-N 3.34Å; T7-K9 PolarHBondContact O-N 3.49Å; T7-T10 PolarHBondContact O-N 2.62Å; T7-F11 HydrophobicContact CG2-CD2 3.89Å; T7-F11 HydrophobicContact CG2-CE2 3.32Å; T7-F11 HydrophobicContact CG2-CZ 3.73Å; T7-F11 WeakPolarHBondContact O-CD2 3.17Å; T7-F11 WeakPolarHBondContact O-CG 3.15Å; T7-F11 PolarHBondContact O-N 3.4Å
8V82.1Confident78Confident0 Ų069.2 Ų69.20%034%0.342CS..Hα-helixtrans-63.6-40.9177.9170.50000111.3F4 V5 F11 T12 L30 V34 L48 L83F4-V8 HydrophobicContact CD1-CG2 4.31Å; F4-V8 HydrophobicContact CD2-CG2 4.37Å; F4-V8 HydrophobicContact CE1-CG2 3.77Å; F4-V8 HydrophobicContact CE2-CG2 3.81Å; F4-V8 HydrophobicContact CZ-CG2 3.46Å; F4-V8 VanDerWaalsContact CZ-CG2 3.46Å; F4-V8 WeakPolarHBondContact O-CG2 3.48Å; F4-V8 PolarHBondContact O-N 3.32Å; V5-V8 PolarHBondContact O-N 3.43Å; V8-F11 PolarHBondContact O-N 3.4Å; V8-T12 WeakPolarHBondContact O-CB 3.16Å; V8-T12 PolarHBondContact O-N 3.06Å; V8-T12 PolarHBondContact O-OG1 3.33Å; V8-L30 HydrophobicContact CG1-CD1 4.33Å; V8-V34 HydrophobicContact CG2-CG2 4.3Å; V8-L48 HydrophobicContact CB-CD2 4.3Å; V8-L48 HydrophobicContact CG1-CD2 4.13Å; V8-L83 HydrophobicContact CG1-CD1 3.67Å; V8-L83 HydrophobicContact CG1-CD2 4.25Å
9K83.3Confident76.9Confident85 Ų8575.4 Ų75.437%0.3737%0.37SS..Hα-helixtrans-61.4-45.8174.7-173.5174.5-178.31760111.6V5 T7 F11 T12 D13V5-K9 WeakPolarHBondContact O-CB 3.45Å; V5-K9 PolarHBondContact O-N 3.45Å; T7-K9 VanDerWaalsContact C-N 3.34Å; T7-K9 PolarHBondContact O-N 3.49Å; K9-F11 VanDerWaalsContact C-N 3.35Å; K9-F11 PolarHBondContact O-N 3.34Å; K9-T12 WeakPolarHBondContact O-CB 3.49Å; K9-T12 PolarHBondContact O-N 2.85Å; K9-T12 VanDerWaalsContact O-N 3.16Å; K9-D13 WeakPolarHBondContact O-CB 3.39Å; K9-D13 VanDerWaalsContact O-CG 3.31Å; K9-D13 PolarHBondContact O-N 3.08Å
10T83.8Confident76Confident66 Ų6675.1 Ų75.141%0.40537%0.369SS..Hα-helixtrans-59.3-44.5177-54.10000111.8S6 T7 N14S6-T10 WeakPolarHBondContact O-CB 3.41Å; S6-T10 PolarHBondContact O-N 3.05Å; S6-T10 PolarHBondContact O-OG1 3.23Å; T7-T10 PolarHBondContact O-N 2.62Å; T10-N14 WeakPolarHBondContact O-CB 3.43Å; T10-N14 PolarHBondContact O-N 3.47Å; T10-N14 PolarHBondContact O-ND2 3.41Å; T10-N14 PolarHBondContact O-OD1 2.91Å
11F83.8Confident75Confident43 Ų4378 Ų7819%0.18939%0.393CS..Hα-helixtrans-67.4-36.3176.5-65-32.6000112.8T7 V8 K9 L15 K29 L30T7-F11 HydrophobicContact CG2-CD2 3.89Å; T7-F11 HydrophobicContact CG2-CE2 3.32Å; T7-F11 HydrophobicContact CG2-CZ 3.73Å; T7-F11 WeakPolarHBondContact O-CD2 3.17Å; T7-F11 WeakPolarHBondContact O-CG 3.15Å; T7-F11 PolarHBondContact O-N 3.4Å; V8-F11 PolarHBondContact O-N 3.4Å; K9-F11 VanDerWaalsContact C-N 3.35Å; K9-F11 PolarHBondContact O-N 3.34Å; F11-L15 WeakPolarHBondContact O-CG 3.49Å; F11-L15 PolarHBondContact O-N 3.5Å; F11-L15 VanDerWaalsContact O-N 3.15Å; F11-K29 HydrophobicContact CE1-CB 4.34Å; F11-K29 HydrophobicContact CE2-CB 4.25Å; F11-K29 HydrophobicContact CZ-CB 4.05Å; F11-L30 HydrophobicContact CB-CB 4.31Å; F11-L30 HydrophobicContact CB-CD1 4.07Å; F11-L30 HydrophobicContact CD2-CD1 4.46Å
12T82.6Confident75.2Confident0 Ų076.9 Ų76.90%039%0.39CS..Hα-helixtrans-64.7-48.3175.7-57.10000110.9V8 K9 N14 L15 L16 C51 Q54 L55V8-T12 WeakPolarHBondContact O-CB 3.16Å; V8-T12 PolarHBondContact O-N 3.06Å; V8-T12 PolarHBondContact O-OG1 3.33Å; K9-T12 WeakPolarHBondContact O-CB 3.49Å; K9-T12 PolarHBondContact O-N 2.85Å; K9-T12 VanDerWaalsContact O-N 3.16Å; T12-N14 VanDerWaalsContact C-N 3.32Å; T12-N14 PolarHBondContact O-N 3.41Å; T12-L15 PolarHBondContact O-N 2.73Å; T12-L16 HydrophobicContact CG2-CD1 4.04Å; T12-L16 VanDerWaalsContact O-CG 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.17Å; T12-L16 PolarHBondContact O-N 2.77Å; T12-L16 VanDerWaalsContact O-N 3.09Å; T12-C51 HydrophobicContact CG2-CB 4.26Å; T12-Q54 HydrophobicContact CG2-CB 4.36Å; T12-L55 HydrophobicContact CG2-CD1 4.47Å; T12-L55 HydrophobicContact CG2-CD2 3.89Å; T12-L55 HydrophobicContact CG2-CG 3.78Å
13D84.3Confident75.6Confident69 Ų6971.1 Ų71.137%0.36936%0.363SS..Hα-helixtrans-61.3-40.1178.3-69.8-23.2000111.5K9 L15 L16 Q17K9-D13 WeakPolarHBondContact O-CB 3.39Å; K9-D13 VanDerWaalsContact O-CG 3.31Å; K9-D13 PolarHBondContact O-N 3.08Å; D13-L15 PolarHBondContact O-N 3.05Å; D13-L16 PolarHBondContact O-N 3.13Å; D13-Q17 PolarHBondContact O-N 2.94Å
14N82Confident75.9Confident59 Ų5967.5 Ų67.532%0.31635%0.348SS..Hα-helixtrans-61.7-41.6175.6-72-12.6000112.3T10 T12 L16 Q17T10-N14 WeakPolarHBondContact O-CB 3.43Å; T10-N14 PolarHBondContact O-N 3.47Å; T10-N14 PolarHBondContact O-ND2 3.41Å; T10-N14 PolarHBondContact O-OD1 2.91Å; T12-N14 VanDerWaalsContact C-N 3.32Å; T12-N14 PolarHBondContact O-N 3.41Å; N14-L16 VanDerWaalsContact C-N 3.31Å; N14-L16 PolarHBondContact O-N 3.4Å; N14-Q17 PolarHBondContact O-N 3.47Å
15L80.4Confident76.1Confident1 Ų172.6 Ų72.61%0.00537%0.372CS..Hα-helixtrans-69.1-28.7177.5-71.3171.6000112.7F11 T12 D13 Q17 F23 A26 I27 L30 L55 W58F11-L15 WeakPolarHBondContact O-CG 3.49Å; F11-L15 PolarHBondContact O-N 3.5Å; F11-L15 VanDerWaalsContact O-N 3.15Å; T12-L15 PolarHBondContact O-N 2.73Å; D13-L15 PolarHBondContact O-N 3.05Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-F23 HydrophobicContact CD2-CD1 4.34Å; L15-A26 HydrophobicContact CD2-CB 3.72Å; L15-A26 HydrophobicContact CG-CB 4.32Å; L15-I27 HydrophobicContact CD1-CG1 4.49Å; L15-I27 HydrophobicContact CD2-CG1 3.89Å; L15-L30 HydrophobicContact CD1-CD2 3.66Å; L15-L55 HydrophobicContact CD1-CD2 3.92Å; L15-W58 HydrophobicContact CB-CH2 4.49Å; L15-W58 HydrophobicContact CB-CZ2 4.27Å; L15-W58 HydrophobicContact CD2-CH2 4.03Å; L15-W58 HydrophobicContact CD2-CZ2 4.35Å; L15-W58 VanDerWaalsContact O-CE2 3.28Å; L15-W58 WeakPolarHBondContact O-CZ2 3.49Å; L15-W58 PolarHBondContact O-NE1 3.49Å
16L79.8Confident76.3Confident67 Ų6772.9 Ų72.935%0.35138%0.375SS..Hα-helixtrans-77-14.9178.8-67.7171000113.5T12 D13 N14 Q54 W58T12-L16 HydrophobicContact CG2-CD1 4.04Å; T12-L16 VanDerWaalsContact O-CG 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.17Å; T12-L16 PolarHBondContact O-N 2.77Å; T12-L16 VanDerWaalsContact O-N 3.09Å; D13-L16 PolarHBondContact O-N 3.13Å; N14-L16 VanDerWaalsContact C-N 3.31Å; N14-L16 PolarHBondContact O-N 3.4Å; L16-Q54 HydrophobicContact CD1-CB 4.24Å; L16-W58 HydrophobicContact CD2-CB 4.04Å; L16-W58 HydrophobicContact CD2-CG 4.12Å
17Q77.8Confident76.7Confident116 Ų11669.7 Ų69.754%0.54235%0.353SS..SBendtrans-69.1136.7177.8-70.218017.200112.2D13 N14 L15 Q19D13-Q17 PolarHBondContact O-N 2.94Å; N14-Q17 PolarHBondContact O-N 3.47Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; Q17-Q19 VanDerWaalsContact C-N 3.31Å; Q17-Q19 PolarHBondContact O-N 3.28Å
18K59.1Low77Confident201 Ų20171.8 Ų71.887%0.87436%0.361SS*.SBendtrans-71.9-13.3-172.2-82.6-176.6176.1178.20115.4
19Q57Low77.2Confident186 Ų18676.3 Ų76.387%0.86938%0.381SS*.  trans-125.255.3-170.8-72.1-175.2-16.500113.1Q17Q17-Q19 VanDerWaalsContact C-N 3.31Å; Q17-Q19 PolarHBondContact O-N 3.28Å
20M59.1Low77.4Confident70 Ų7072.4 Ų72.435%0.34536%0.363SS..  trans-106.1124164-75.6-151.373.300110.2F23M20-F23 HydrophobicContact CB-CD1 4.18Å; M20-F23 HydrophobicContact CB-CE1 3.84Å; M20-F23 HydrophobicContact CB-CZ 4.49Å; M20-F23 WeakPolarHBondContact O-CZ 3.47Å
21P56.6Low77.5Confident135 Ų13570.8 Ų70.888%0.87735%0.351SS*.SBendtrans-77.7-20.3-179.928.8-31.6000113.3
22D68.3Low77.6Confident99 Ų9972.5 Ų72.553%0.52937%0.368SS..  trans-139.8120.4176.5-169.9-4.2000110.5D24D22-D24 WeakPolarHBondContact OD1-CB 3.46Å; D22-D24 PolarHBondContact OD1-N 3.15Å
23F76.2Confident77.6Confident31 Ų3176.6 Ų76.614%0.13639%0.386CS..  trans-92-11-178.7-60.2-71.7000112.8L15 M20 E25 A26 I27 W58L15-F23 HydrophobicContact CD2-CD1 4.34Å; M20-F23 HydrophobicContact CB-CD1 4.18Å; M20-F23 HydrophobicContact CB-CE1 3.84Å; M20-F23 HydrophobicContact CB-CZ 4.49Å; M20-F23 WeakPolarHBondContact O-CZ 3.47Å; F23-E25 PolarHBondContact O-N 3.35Å; F23-A26 PolarHBondContact O-N 3.26Å; F23-I27 HydrophobicContact CB-CD1 3.89Å; F23-I27 HydrophobicContact CB-CG1 4.44Å; F23-I27 WeakPolarHBondContact O-CB 3.37Å; F23-I27 VanDerWaalsContact O-CG1 3.24Å; F23-I27 WeakPolarHBondContact O-CG1 3.48Å; F23-I27 PolarHBondContact O-N 3.06Å; F23-W58 HydrophobicContact CD1-CH2 4.26Å; F23-W58 AromaticContact CD1-CZ2 3.96Å; F23-W58 HydrophobicContact CD1-CZ2 3.96Å; F23-W58 HydrophobicContact CE1-CZ2 4.06Å; F23-W58 HydrophobicContact CG-CH2 4.45Å; F23-W58 HydrophobicContact CG-CZ2 4.49Å
24D81.1Confident77.6Confident66 Ų6673.4 Ų73.435%0.35337%0.369SS..Hα-helixtrans-66.4-46.6-164.2-15540000112.3D22 A26 I27 E28 Q72D22-D24 WeakPolarHBondContact OD1-CB 3.46Å; D22-D24 PolarHBondContact OD1-N 3.15Å; D24-A26 VanDerWaalsContact C-N 3.34Å; D24-A26 PolarHBondContact O-N 3.02Å; D24-I27 PolarHBondContact O-N 3.11Å; D24-E28 WeakPolarHBondContact O-CG 3.5Å; D24-E28 PolarHBondContact O-N 3.49Å; D24-Q72 PolarHBondContact OD1-NE2 3.31Å
25E82.3Confident77.2Confident129 Ų12973 Ų7360%0.60337%0.371SS*.Hα-helixtrans-62.8-39.4179.6-169.6-174.9176.200112.4F23 K29F23-E25 PolarHBondContact O-N 3.35Å; E25-K29 HydrophobicContact CG-CD 4.34Å; E25-K29 WeakPolarHBondContact O-CB 3.38Å; E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 3.47Å; E25-K29 VanDerWaalsContact OE1-CE 3.24Å; E25-K29 WeakPolarHBondContact OE1-CE 3.35Å; E25-K29 IonicContact OE1-NZ 3.91Å; E25-K29 PolarHBondContact OE1-NZ 3.4Å
26A83.1Confident76.5Confident14 Ų1476.3 Ų76.312%0.11641%0.405CS..Hα-helixtrans-69.8-40.1178.500000111.7L15 F23 D24 L30L15-A26 HydrophobicContact CD2-CB 3.72Å; L15-A26 HydrophobicContact CG-CB 4.32Å; F23-A26 PolarHBondContact O-N 3.26Å; D24-A26 VanDerWaalsContact C-N 3.34Å; D24-A26 PolarHBondContact O-N 3.02Å; A26-L30 WeakPolarHBondContact O-CB 3.5Å; A26-L30 PolarHBondContact O-N 3.38Å
27I87.4Confident76Confident1 Ų174.9 Ų74.91%0.00540%0.398CS..Hα-helixtrans-65.1-42.6175.8-69.5172.5000110.6L15 F23 D24 L30 F31 W58 L68 Q72 K75 V76L15-I27 HydrophobicContact CD1-CG1 4.49Å; L15-I27 HydrophobicContact CD2-CG1 3.89Å; F23-I27 HydrophobicContact CB-CD1 3.89Å; F23-I27 HydrophobicContact CB-CG1 4.44Å; F23-I27 WeakPolarHBondContact O-CB 3.37Å; F23-I27 VanDerWaalsContact O-CG1 3.24Å; F23-I27 WeakPolarHBondContact O-CG1 3.48Å; F23-I27 PolarHBondContact O-N 3.06Å; D24-I27 PolarHBondContact O-N 3.11Å; I27-L30 PolarHBondContact O-N 3.41Å; I27-F31 WeakPolarHBondContact O-CB 3.45Å; I27-F31 PolarHBondContact O-N 3.48Å; I27-W58 HydrophobicContact CD1-CH2 4.32Å; I27-L68 HydrophobicContact CD1-CD2 3.95Å; I27-Q72 HydrophobicContact CD1-CB 3.91Å; I27-Q72 HydrophobicContact CD1-CG 4.18Å; I27-K75 HydrophobicContact CG2-CB 3.72Å; I27-K75 HydrophobicContact CG2-CD 4.24Å; I27-V76 HydrophobicContact CB-CG2 4.47Å; I27-V76 HydrophobicContact CD1-CG2 3.84Å; I27-V76 HydrophobicContact CG1-CG2 3.78Å; I27-V76 HydrophobicContact CG2-CG2 3.92Å
28E87.3Confident75Confident70 Ų7075.3 Ų75.333%0.32740%0.404SS..Hα-helixtrans-67.2-41179-72.4-73.1-154.800112.9D24 F31 S32 K75D24-E28 WeakPolarHBondContact O-CG 3.5Å; D24-E28 PolarHBondContact O-N 3.49Å; E28-F31 PolarHBondContact O-N 3.16Å; E28-S32 VanDerWaalsContact O-CB 3.3Å; E28-S32 WeakPolarHBondContact O-CB 3.34Å; E28-S32 PolarHBondContact O-N 3.27Å; E28-S32 PolarHBondContact O-OG 3.3Å; E28-K75 IonicContact OE1-NZ 3.96Å; E28-K75 PolarHBondContact OE1-NZ 3.43Å; E28-K75 IonicContact OE2-NZ 2.91Å; E28-K75 PolarHBondContact OE2-NZ 2.86Å
29K85.6Confident74.8Confident95 Ų9567.2 Ų67.241%0.41337%0.371SS..Hα-helixtrans-64-42.2175-74.8176.4-175.5171.70111.5F11 E25 S32 K33F11-K29 HydrophobicContact CE1-CB 4.34Å; F11-K29 HydrophobicContact CE2-CB 4.25Å; F11-K29 HydrophobicContact CZ-CB 4.05Å; E25-K29 HydrophobicContact CG-CD 4.34Å; E25-K29 WeakPolarHBondContact O-CB 3.38Å; E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 3.47Å; E25-K29 VanDerWaalsContact OE1-CE 3.24Å; E25-K29 WeakPolarHBondContact OE1-CE 3.35Å; E25-K29 IonicContact OE1-NZ 3.91Å; E25-K29 PolarHBondContact OE1-NZ 3.4Å; K29-S32 PolarHBondContact O-OG 2.94Å; K29-S32 VanDerWaalsContact O-OG 3.09Å; K29-K33 WeakPolarHBondContact O-CB 3.31Å; K29-K33 PolarHBondContact O-N 3.01Å; K29-K33 VanDerWaalsContact O-N 3.15Å
30L86.9Confident74.5Confident2 Ų265.1 Ų65.11%0.0137%0.365CS..Hα-helixtrans-64.2-48.4174.6178.465.5000111.3V8 F11 L15 A26 I27 K33 V34 L55 A79V8-L30 HydrophobicContact CG1-CD1 4.33Å; F11-L30 HydrophobicContact CB-CB 4.31Å; F11-L30 HydrophobicContact CB-CD1 4.07Å; F11-L30 HydrophobicContact CD2-CD1 4.46Å; L15-L30 HydrophobicContact CD1-CD2 3.66Å; A26-L30 WeakPolarHBondContact O-CB 3.5Å; A26-L30 PolarHBondContact O-N 3.38Å; I27-L30 PolarHBondContact O-N 3.41Å; L30-K33 PolarHBondContact O-N 3.45Å; L30-V34 HydrophobicContact CD1-CG2 4.06Å; L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 3.17Å; L30-L55 HydrophobicContact CD2-CD1 3.89Å; L30-L55 HydrophobicContact CD2-CD2 3.72Å; L30-L55 HydrophobicContact CD2-CG 4.48Å; L30-A79 HydrophobicContact CD2-CB 4.22Å; L30-A79 HydrophobicContact CG-CB 4.07Å
31F88Confident74.5Confident32 Ų3265.3 Ų65.314%0.1437%0.371CS..Hα-helixtrans-62.2-49.5-178.1176.5-108000111.9I27 E28 K33 V34 S35 K75 H78 W111 M119I27-F31 WeakPolarHBondContact O-CB 3.45Å; I27-F31 PolarHBondContact O-N 3.48Å; E28-F31 PolarHBondContact O-N 3.16Å; F31-K33 VanDerWaalsContact C-N 3.3Å; F31-K33 PolarHBondContact O-N 3.14Å; F31-V34 PolarHBondContact O-N 2.65Å; F31-S35 WeakPolarHBondContact CD2-OG 3.45Å; F31-S35 VanDerWaalsContact CE2-OG 3.23Å; F31-S35 WeakPolarHBondContact CE2-OG 3.5Å; F31-S35 WeakPolarHBondContact CZ-OG 3.29Å; F31-S35 WeakPolarHBondContact O-CB 3.41Å; F31-S35 PolarHBondContact O-N 2.78Å; F31-S35 PolarHBondContact O-OG 2.88Å; F31-K75 HydrophobicContact CB-CB 4.09Å; F31-K75 HydrophobicContact CB-CD 4.39Å; F31-K75 HydrophobicContact CB-CG 4.34Å; F31-K75 HydrophobicContact CD1-CD 4.03Å; F31-K75 HydrophobicContact CD1-CG 4.05Å; F31-K75 HydrophobicContact CD2-CB 3.8Å; F31-K75 HydrophobicContact CD2-CG 3.79Å; F31-K75 HydrophobicContact CE1-CG 4.32Å; F31-K75 HydrophobicContact CE2-CB 4.44Å; F31-K75 HydrophobicContact CE2-CG 4.07Å; F31-K75 HydrophobicContact CG-CB 3.93Å; F31-K75 HydrophobicContact CG-CD 4.08Å; F31-K75 HydrophobicContact CG-CG 3.78Å; F31-K75 HydrophobicContact CZ-CG 4.34Å; F31-H78 HydrophobicContact CD2-CB 4.26Å; F31-H78 HydrophobicContact CE2-CB 3.99Å; F31-H78 AromaticContact CE2-CD2 3.91Å; F31-H78 AromaticContact CE2-CG 3.62Å; F31-H78 AromaticContact CE2-ND1 3.71Å; F31-W111 HydrophobicContact CE2-CH2 4.24Å; F31-W111 AromaticContact CE2-CZ2 3.84Å; F31-W111 HydrophobicContact CE2-CZ2 3.84Å; F31-W111 HydrophobicContact CZ-CH2 4.17Å; F31-W111 HydrophobicContact CZ-CZ2 4.15Å; F31-M119 HydrophobicContact CE2-CE 4.37Å; F31-M119 HydrophobicContact CZ-CE 3.94Å
32S84.4Confident74.8Confident79 Ų7964.3 Ų64.355%0.55235%0.352SS*.Hα-helixtrans-61.1-38177.156.80000112.5E28 K29E28-S32 VanDerWaalsContact O-CB 3.3Å; E28-S32 WeakPolarHBondContact O-CB 3.34Å; E28-S32 PolarHBondContact O-N 3.27Å; E28-S32 PolarHBondContact O-OG 3.3Å; K29-S32 PolarHBondContact O-OG 2.94Å; K29-S32 VanDerWaalsContact O-OG 3.09Å
33K83.8Confident74.5Confident87 Ų8760.6 Ų60.638%0.37833%0.332SS..Hα-helixtrans-69.8-36.6179.4-167.855.1166-1790112.7F4 K29 L30 F31F4-K33 HydrophobicContact CD2-CD 4.35Å; F4-K33 HydrophobicContact CD2-CG 4.23Å; F4-K33 HydrophobicContact CE2-CD 4.36Å; F4-K33 HydrophobicContact CE2-CG 3.89Å; K29-K33 WeakPolarHBondContact O-CB 3.31Å; K29-K33 PolarHBondContact O-N 3.01Å; K29-K33 VanDerWaalsContact O-N 3.15Å; L30-K33 PolarHBondContact O-N 3.45Å; F31-K33 VanDerWaalsContact C-N 3.3Å; F31-K33 PolarHBondContact O-N 3.14Å
34V82.7Confident73.8Confident2 Ų264.9 Ų64.91%0.01236%0.363CS..Hα-helixtrans-86.5-32.7-178.8178.10000112.5V8 L30 F31 G36 L37 A79 L83V8-V34 HydrophobicContact CG2-CG2 4.3Å; L30-V34 HydrophobicContact CD1-CG2 4.06Å; L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 3.17Å; F31-V34 PolarHBondContact O-N 2.65Å; V34-G36 PolarHBondContact O-N 3.48Å; V34-G36 VanDerWaalsContact O-N 3.15Å; V34-L37 PolarHBondContact O-N 3.09Å; V34-L37 VanDerWaalsContact O-N 3.07Å; V34-A79 HydrophobicContact CB-CB 4.14Å; V34-A79 HydrophobicContact CG1-CB 4.19Å; V34-A79 HydrophobicContact CG2-CB 4.21Å; V34-L83 HydrophobicContact CG1-CD2 4.35Å; V34-L83 HydrophobicContact CG1-CG 4.14Å; V34-L83 HydrophobicContact CG2-CD1 4.37Å; V34-L83 HydrophobicContact CG2-CD2 4.26Å; V34-L83 HydrophobicContact CG2-CG 4.31Å
35S75.4Confident73.2Confident49 Ų4965.9 Ų65.934%0.34336%0.363SS..Hα-helixtrans-65-17.3-179.8-59.20000113.6F31F31-S35 WeakPolarHBondContact CD2-OG 3.45Å; F31-S35 VanDerWaalsContact CE2-OG 3.23Å; F31-S35 WeakPolarHBondContact CE2-OG 3.5Å; F31-S35 WeakPolarHBondContact CZ-OG 3.29Å; F31-S35 WeakPolarHBondContact O-CB 3.41Å; F31-S35 PolarHBondContact O-N 2.78Å; F31-S35 PolarHBondContact O-OG 2.88Å
36G65.4Low72.6Confident71 Ų7164.3 Ų64.373%0.73237%0.366SS*.THydrogen-bonded Turntrans-86.22174.500000115V34V34-G36 PolarHBondContact O-N 3.48Å; V34-G36 VanDerWaalsContact O-N 3.15Å
37L69.1Low72.2Confident37 Ų3768.1 Ų68.119%0.19438%0.381CS..SBendtrans-87.2124.9172.2-83.693.2000110.9F4 V34 T39F4-L37 HydrophobicContact CD2-CD1 4.29Å; F4-L37 HydrophobicContact CE1-CD1 4.01Å; F4-L37 HydrophobicContact CE1-CD2 4.06Å; F4-L37 HydrophobicContact CE2-CD1 3.31Å; F4-L37 HydrophobicContact CZ-CD1 3.14Å; F4-L37 HydrophobicContact CZ-CD2 4.02Å; F4-L37 HydrophobicContact CZ-CG 4.2Å; V34-L37 PolarHBondContact O-N 3.09Å; V34-L37 VanDerWaalsContact O-N 3.07Å; L37-T39 PolarHBondContact O-N 3.35Å
38D56.6Low71.8Confident125 Ų12568.1 Ų68.167%0.66838%0.381SS*.  trans-66.1123.3160.1-95.7-30.4000109.1L40 T41D38-L40 PolarHBondContact O-N 3.35Å; D38-T41 PolarHBondContact O-N 2.98Å; D38-T41 PolarHBondContact O-OG1 3.47Å
39T54.4Low71.5Confident31 Ų3168.5 Ų68.519%0.1938%0.383CS..THydrogen-bonded Turntrans-59.7-0.8178.340.40000114.4L37 H122 L126L37-T39 PolarHBondContact O-N 3.35Å; T39-H122 PolarHBondContact OG1-CE1 2.98Å; T39-H122 PolarHBondContact OG1-NE2 2.79Å; T39-L126 HydrophobicContact CG2-CD1 4.41Å
40L50.8Low71.5Confident143 Ų14369.2 Ų69.275%0.74939%0.388SS*.THydrogen-bonded Turntrans-92-10.7177.2-67.7166.9000113.8D38 K42D38-L40 PolarHBondContact O-N 3.35Å; L40-K42 PolarHBondContact O-N 3.49Å
41T58.6Low71.4Confident74 Ų7469.4 Ų69.445%0.45439%0.389SS..  trans-7989.6171.626.40000109.8D38 I43D38-T41 PolarHBondContact O-N 2.98Å; D38-T41 PolarHBondContact O-OG1 3.47Å; T41-I43 WeakPolarHBondContact O-CD1 3.48Å; T41-I43 WeakPolarHBondContact O-CG1 3.43Å; T41-I43 PolarHBondContact O-N 3.14Å
42K63.1Low71.4Confident113 Ų11367.9 Ų67.949%0.49138%0.383SS..  trans-69.7116.6172-66.2-168173.4-151.40109.7L40 E88L40-K42 PolarHBondContact O-N 3.49Å; K42-E88 WeakPolarHBondContact CE-OE2 3.32Å; K42-E88 IonicContact NZ-OE2 2.77Å; K42-E88 PolarHBondContact NZ-OE2 3.41Å
43I63Low71.5Confident22 Ų2266.9 Ų66.911%0.11337%0.371CS..  trans-132.7109.1-176.5-50142.1000108.8M1 T41 Y45 C86M1-I43 HydrophobicContact CE-CB 4.48Å; M1-I43 HydrophobicContact CE-CD1 3.2Å; M1-I43 HydrophobicContact CE-CG1 3.79Å; M1-I43 HydrophobicContact CE-CG2 4.05Å; T41-I43 WeakPolarHBondContact O-CD1 3.48Å; T41-I43 WeakPolarHBondContact O-CG1 3.43Å; T41-I43 PolarHBondContact O-N 3.14Å; I43-Y45 HydrophobicContact CB-CD2 4.39Å; I43-Y45 HydrophobicContact CG2-CD2 3.19Å; I43-Y45 HydrophobicContact CG2-CE2 3.29Å; I43-Y45 HydrophobicContact CG2-CG 4.36Å; I43-Y45 PolarHBondContact O-N 2.95Å; I43-C86 PolarHBondContact N-O 3.42Å
44P59.7Low71.7Confident121 Ų12165.6 Ų65.679%0.78637%0.366SS*.  trans-78.883.8-179.330.3-31.6000110.6
45Y68.9Low72Confident86 Ų8665.5 Ų65.534%0.33737%0.365SS..  trans-120.2110.6166.6-75-69.5000110.1V5 I43 Q47 L48 E49V5-Y45 HydrophobicContact CG2-CD2 4.01Å; V5-Y45 HydrophobicContact CG2-CE2 4.33Å; V5-Y45 HydrophobicContact CG2-CG 4.4Å; I43-Y45 HydrophobicContact CB-CD2 4.39Å; I43-Y45 HydrophobicContact CG2-CD2 3.19Å; I43-Y45 HydrophobicContact CG2-CE2 3.29Å; I43-Y45 HydrophobicContact CG2-CG 4.36Å; I43-Y45 PolarHBondContact O-N 2.95Å; Y45-Q47 PolarHBondContact O-N 3.49Å; Y45-Q47 VanDerWaalsContact O-N 3.15Å; Y45-L48 PolarHBondContact O-N 2.94Å; Y45-E49 PolarHBondContact O-N 3.43Å
46S70.4Confident72.8Confident96 Ų9664.1 Ų64.167%0.67135%0.353SS*.Hα-helixtrans-55.7-30.5175.854.20000113.4L48 E49 E50S46-L48 PolarHBondContact O-N 3.01Å; S46-E49 PolarHBondContact O-N 2.87Å; S46-E50 PolarHBondContact O-N 3.29Å; S46-E50 VanDerWaalsContact O-N 3.13Å
47Q74.4Confident74Confident94 Ų9465.1 Ų65.144%0.43934%0.341SS..Hα-helixtrans-67-32.4178-65.9-178.2-2.100113.3V5 Y45 C51V5-Q47 HydrophobicContact CG1-CB 4.49Å; Y45-Q47 PolarHBondContact O-N 3.49Å; Y45-Q47 VanDerWaalsContact O-N 3.15Å; Q47-C51 PolarHBondContact O-N 2.98Å; Q47-C51 VanDerWaalsContact O-N 3.17Å; Q47-C51 PolarHBondContact O-SG 3.24Å
48L79.8Confident74.9Confident1 Ų164.1 Ų64.11%0.00534%0.335CS..Hα-helixtrans-76.2-36.2177.6-77-178.6000111.6V5 V8 Y45 S46 E50 C51 A52 L83 C87V5-L48 HydrophobicContact CB-CD2 4.35Å; V5-L48 HydrophobicContact CG1-CD2 4.07Å; V5-L48 HydrophobicContact CG1-CG 4.12Å; V5-L48 HydrophobicContact CG2-CD1 3.94Å; V5-L48 HydrophobicContact CG2-CD2 4.19Å; V5-L48 HydrophobicContact CG2-CG 4Å; V8-L48 HydrophobicContact CB-CD2 4.3Å; V8-L48 HydrophobicContact CG1-CD2 4.13Å; Y45-L48 PolarHBondContact O-N 2.94Å; S46-L48 PolarHBondContact O-N 3.01Å; L48-E50 VanDerWaalsContact C-N 3.32Å; L48-C51 PolarHBondContact O-N 3.41Å; L48-A52 WeakPolarHBondContact O-CB 3.32Å; L48-A52 PolarHBondContact O-N 3.19Å; L48-L83 HydrophobicContact CD2-CD2 4.25Å; L48-C87 WeakPolarHBondContact CB-SG 3.46Å
49E81.4Confident76.4Confident79 Ų7958.2 Ų58.237%0.36930%0.303SS..Hα-helixtrans-62.2-41.6173.2-172.1-178.1175.100111Y45 S46 A52 I53 L84 C87Y45-E49 PolarHBondContact O-N 3.43Å; S46-E49 PolarHBondContact O-N 2.87Å; E49-A52 WeakPolarHBondContact O-CB 3.48Å; E49-A52 PolarHBondContact O-N 3.5Å; E49-I53 HydrophobicContact CG-CD1 4.25Å; E49-I53 WeakPolarHBondContact O-CG1 3.29Å; E49-I53 PolarHBondContact O-N 2.87Å; E49-L84 HydrophobicContact CG-CD1 4.33Å; E49-C87 HydrophobicContact CB-CB 4.2Å
50E83.9Confident77.8Confident110 Ų11059.7 Ų59.751%0.51431%0.312SS..Hα-helixtrans-61-46.1174.2-170.1179.9-178.100111.7S46 L48 A52 I53 Q54S46-E50 PolarHBondContact O-N 3.29Å; S46-E50 VanDerWaalsContact O-N 3.13Å; L48-E50 VanDerWaalsContact C-N 3.32Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 2.99Å; E50-I53 PolarHBondContact O-N 2.82Å; E50-Q54 HydrophobicContact CG-CG 4.49Å; E50-Q54 WeakPolarHBondContact O-CB 3.41Å; E50-Q54 VanDerWaalsContact O-CG 3.29Å; E50-Q54 WeakPolarHBondContact O-CG 3.38Å; E50-Q54 PolarHBondContact O-N 3.27Å; E50-Q54 PolarHBondContact OE1-NE2 3.5Å
51C85.5Confident79.4Confident6 Ų657.7 Ų57.74%0.04131%0.306CS..Hα-helixtrans-60-42.8175.5-65.80000111.7T12 Q47 L48 I53 Q54 L55T12-C51 HydrophobicContact CG2-CB 4.26Å; Q47-C51 PolarHBondContact O-N 2.98Å; Q47-C51 VanDerWaalsContact O-N 3.17Å; Q47-C51 PolarHBondContact O-SG 3.24Å; L48-C51 PolarHBondContact O-N 3.41Å; C51-I53 PolarHBondContact O-N 3.2Å; C51-Q54 PolarHBondContact O-N 2.59Å; C51-L55 WeakPolarHBondContact O-CB 3.35Å; C51-L55 VanDerWaalsContact O-CG 3.24Å; C51-L55 WeakPolarHBondContact O-CG 3.35Å; C51-L55 PolarHBondContact O-N 3.03Å
52A87Confident80.5Confident0 Ų057.1 Ų57.10%030%0.297CS..Hα-helixtrans-58.9-45.2177.800000112L48 E49 E50 W56 A80 L83 L84L48-A52 WeakPolarHBondContact O-CB 3.32Å; L48-A52 PolarHBondContact O-N 3.19Å; E49-A52 WeakPolarHBondContact O-CB 3.48Å; E49-A52 PolarHBondContact O-N 3.5Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 2.99Å; A52-W56 WeakPolarHBondContact O-CB 3.3Å; A52-W56 PolarHBondContact O-N 3.4Å; A52-A80 WeakPolarHBondContact CB-O 3.38Å; A52-A80 WeakPolarHBondContact O-CB 3.44Å; A52-L83 HydrophobicContact CB-CB 3.85Å; A52-L84 HydrophobicContact CB-CB 4.27Å
53I87.9Confident81Confident58 Ų5854.5 Ų54.530%0.29729%0.289SS..Hα-helixtrans-68.7-41.8178.8-65.2168.4000111.1E49 E50 C51 W56 N57E49-I53 HydrophobicContact CG-CD1 4.25Å; E49-I53 WeakPolarHBondContact O-CG1 3.29Å; E49-I53 PolarHBondContact O-N 2.87Å; E50-I53 PolarHBondContact O-N 2.82Å; C51-I53 PolarHBondContact O-N 3.2Å; I53-W56 PolarHBondContact O-N 3.1Å; I53-N57 WeakPolarHBondContact O-CB 3.41Å; I53-N57 VanDerWaalsContact O-CG 3.32Å; I53-N57 PolarHBondContact O-N 3.29Å; I53-N57 PolarHBondContact O-ND2 3.15Å
54Q88.5Confident81.3Confident59 Ų5957.9 Ų57.928%0.27632%0.32SS..Hα-helixtrans-63.2-46.8178-73.3176.5-0.700111.7T12 L16 E50 C51 W56 N57 W58T12-Q54 HydrophobicContact CG2-CB 4.36Å; L16-Q54 HydrophobicContact CD1-CB 4.24Å; E50-Q54 HydrophobicContact CG-CG 4.49Å; E50-Q54 WeakPolarHBondContact O-CB 3.41Å; E50-Q54 VanDerWaalsContact O-CG 3.29Å; E50-Q54 WeakPolarHBondContact O-CG 3.38Å; E50-Q54 PolarHBondContact O-N 3.27Å; E50-Q54 PolarHBondContact OE1-NE2 3.5Å; C51-Q54 PolarHBondContact O-N 2.59Å; Q54-W56 VanDerWaalsContact C-N 3.34Å; Q54-W56 PolarHBondContact O-N 3.27Å; Q54-N57 PolarHBondContact O-N 2.86Å; Q54-W58 VanDerWaalsContact O-CB 3.25Å; Q54-W58 WeakPolarHBondContact O-CB 3.45Å; Q54-W58 PolarHBondContact O-N 3.18Å
55L89.1Confident81.6Confident1 Ų155.1 Ų55.11%0.00531%0.313CS..Hα-helixtrans-60.6-43.1175.1-72.4170.5000111.7T12 L15 L30 C51 W58 S59 V76 A80 L83T12-L55 HydrophobicContact CG2-CD1 4.47Å; T12-L55 HydrophobicContact CG2-CD2 3.89Å; T12-L55 HydrophobicContact CG2-CG 3.78Å; L15-L55 HydrophobicContact CD1-CD2 3.92Å; L30-L55 HydrophobicContact CD2-CD1 3.89Å; L30-L55 HydrophobicContact CD2-CD2 3.72Å; L30-L55 HydrophobicContact CD2-CG 4.48Å; C51-L55 WeakPolarHBondContact O-CB 3.35Å; C51-L55 VanDerWaalsContact O-CG 3.24Å; C51-L55 WeakPolarHBondContact O-CG 3.35Å; C51-L55 PolarHBondContact O-N 3.03Å; L55-W58 PolarHBondContact O-N 3.18Å; L55-S59 WeakPolarHBondContact O-CB 3.26Å; L55-S59 PolarHBondContact O-N 2.92Å; L55-V76 HydrophobicContact CB-CG1 4.4Å; L55-A80 HydrophobicContact CB-CB 3.9Å; L55-L83 HydrophobicContact CD1-CD1 4.02Å
56W91.1Very high81.8Confident20 Ų2054.1 Ų54.18%0.07633%0.329CS..Hα-helixtrans-59.6-52.9176.8-175.7-98.5000111.6A52 I53 Q54 W58 S59 V60 R77 A80 M103 K106 T107A52-W56 WeakPolarHBondContact O-CB 3.3Å; A52-W56 PolarHBondContact O-N 3.4Å; I53-W56 PolarHBondContact O-N 3.1Å; Q54-W56 VanDerWaalsContact C-N 3.34Å; Q54-W56 PolarHBondContact O-N 3.27Å; W56-W58 VanDerWaalsContact C-N 3.32Å; W56-W58 PolarHBondContact O-N 3.09Å; W56-S59 PolarHBondContact O-N 3.42Å; W56-S59 PolarHBondContact O-OG 3.22Å; W56-V60 WeakPolarHBondContact O-CG2 3.18Å; W56-V60 PolarHBondContact O-N 3.16Å; W56-V60 VanDerWaalsContact O-N 3.13Å; W56-R77 HydrophobicContact CE3-CB 4.39Å; W56-R77 HydrophobicContact CE3-CG 4.06Å; W56-R77 HydrophobicContact CH2-CG 4.28Å; W56-R77 HydrophobicContact CZ3-CB 3.86Å; W56-R77 HydrophobicContact CZ3-CG 3.68Å; W56-A80 HydrophobicContact CB-CB 4.2Å; W56-A80 HydrophobicContact CE3-CB 4.25Å; W56-M103 HydrophobicContact CB-CE 3.92Å; W56-M103 HydrophobicContact CB-SD 4.33Å; W56-M103 HydrophobicContact CD2-CE 3.81Å; W56-M103 HydrophobicContact CD2-CG 3.67Å; W56-M103 HydrophobicContact CD2-SD 3.95Å; W56-M103 HydrophobicContact CE3-CB 4.25Å; W56-M103 HydrophobicContact CE3-CE 3.58Å; W56-M103 HydrophobicContact CE3-CG 3.84Å; W56-M103 HydrophobicContact CE3-SD 4.23Å; W56-M103 HydrophobicContact CG-CE 3.97Å; W56-M103 HydrophobicContact CG-CG 4.26Å; W56-M103 HydrophobicContact CG-SD 3.98Å; W56-M103 VanDerWaalsContact CH2-CA 3.47Å; W56-M103 HydrophobicContact CH2-CB 4.01Å; W56-M103 HydrophobicContact CH2-CG 3.97Å; W56-M103 WeakPolarHBondContact CH2-O 3.4Å; W56-M103 HydrophobicContact CZ2-CB 4.32Å; W56-M103 HydrophobicContact CZ2-CG 3.81Å; W56-M103 HydrophobicContact CZ3-CB 3.96Å; W56-M103 HydrophobicContact CZ3-CE 4.31Å; W56-M103 HydrophobicContact CZ3-CG 3.97Å; W56-K106 HydrophobicContact CH2-CB 3.69Å; W56-K106 HydrophobicContact CH2-CD 4.48Å; W56-K106 HydrophobicContact CZ2-CB 4.02Å; W56-K106 HydrophobicContact CZ2-CD 3.95Å; W56-T107 WeakPolarHBondContact CZ3-OG1 3.46Å
57N90Very high82Confident92 Ų9252 Ų5249%0.49232%0.317SS..Hα-helixtrans-62.8-39.5-179-72.9-21.8000112.1I53 Q54 V60 T61I53-N57 WeakPolarHBondContact O-CB 3.41Å; I53-N57 VanDerWaalsContact O-CG 3.32Å; I53-N57 PolarHBondContact O-N 3.29Å; I53-N57 PolarHBondContact O-ND2 3.15Å; Q54-N57 PolarHBondContact O-N 2.86Å; N57-V60 PolarHBondContact O-N 3.37Å; N57-T61 PolarHBondContact O-N 3.06Å; N57-T61 PolarHBondContact O-OG1 2.88Å
58W88.8Confident82.3Confident16 Ų1648 Ų486%0.06130%0.299CS..Hα-helixtrans-62.6-43.9174.8-178.692.3000111.8L15 L16 F23 I27 Q54 L55 W56 V60 T61 K62 L68 V76L15-W58 HydrophobicContact CB-CH2 4.49Å; L15-W58 HydrophobicContact CB-CZ2 4.27Å; L15-W58 HydrophobicContact CD2-CH2 4.03Å; L15-W58 HydrophobicContact CD2-CZ2 4.35Å; L15-W58 VanDerWaalsContact O-CE2 3.28Å; L15-W58 WeakPolarHBondContact O-CZ2 3.49Å; L15-W58 PolarHBondContact O-NE1 3.49Å; L16-W58 HydrophobicContact CD2-CB 4.04Å; L16-W58 HydrophobicContact CD2-CG 4.12Å; F23-W58 HydrophobicContact CD1-CH2 4.26Å; F23-W58 AromaticContact CD1-CZ2 3.96Å; F23-W58 HydrophobicContact CD1-CZ2 3.96Å; F23-W58 HydrophobicContact CE1-CZ2 4.06Å; F23-W58 HydrophobicContact CG-CH2 4.45Å; F23-W58 HydrophobicContact CG-CZ2 4.49Å; I27-W58 HydrophobicContact CD1-CH2 4.32Å; Q54-W58 VanDerWaalsContact O-CB 3.25Å; Q54-W58 WeakPolarHBondContact O-CB 3.45Å; Q54-W58 PolarHBondContact O-N 3.18Å; L55-W58 PolarHBondContact O-N 3.18Å; W56-W58 VanDerWaalsContact C-N 3.32Å; W56-W58 PolarHBondContact O-N 3.09Å; W58-V60 PolarHBondContact O-N 3.25Å; W58-T61 PolarHBondContact O-N 3.43Å; W58-T61 PolarHBondContact O-OG1 2.76Å; W58-K62 HydrophobicContact CD2-CG 3.95Å; W58-K62 HydrophobicContact CG-CG 4.29Å; W58-K62 HydrophobicContact CZ2-CG 4.01Å; W58-K62 WeakPolarHBondContact O-CB 3.47Å; W58-K62 WeakPolarHBondContact O-CG 3.4Å; W58-K62 PolarHBondContact O-N 2.89Å; W58-L68 HydrophobicContact CE3-CD1 4.43Å; W58-L68 HydrophobicContact CH2-CD1 4.26Å; W58-L68 HydrophobicContact CH2-CD2 3.94Å; W58-L68 HydrophobicContact CZ3-CD1 3.85Å; W58-L68 HydrophobicContact CZ3-CD2 4.25Å; W58-V76 HydrophobicContact CE3-CG1 4.06Å; W58-V76 HydrophobicContact CZ3-CG1 4.17Å; W58-V76 HydrophobicContact CZ3-CG2 3.93Å
59S87.3Confident82.6Confident0 Ų050.6 Ų50.60%032%0.317CS..Hα-helixtrans-61.3-30.1176.383.30000112.8L55 W56 N63 Q73L55-S59 WeakPolarHBondContact O-CB 3.26Å; L55-S59 PolarHBondContact O-N 2.92Å; W56-S59 PolarHBondContact O-N 3.42Å; W56-S59 PolarHBondContact O-OG 3.22Å; S59-N63 VanDerWaalsContact O-CB 3.24Å; S59-N63 WeakPolarHBondContact O-CB 3.3Å; S59-N63 PolarHBondContact O-N 3.12Å; S59-Q73 PolarHBondContact O-NE2 2.82Å
60V85Confident82.7Confident63 Ų6351.3 Ų51.338%0.38232%0.323SS..Hα-helixtrans-78-47.4178173.90000110.5W56 N57 W58 A64W56-V60 WeakPolarHBondContact O-CG2 3.18Å; W56-V60 PolarHBondContact O-N 3.16Å; W56-V60 VanDerWaalsContact O-N 3.13Å; N57-V60 PolarHBondContact O-N 3.37Å; W58-V60 PolarHBondContact O-N 3.25Å; V60-A64 PolarHBondContact O-N 2.72Å
61T83.5Confident82.9Confident100 Ų10049.2 Ų49.261%0.61332%0.318SS*.Hα-helixtrans-65.7-43179.818.20000112.4N57 W58 N63 A64 G65N57-T61 PolarHBondContact O-N 3.06Å; N57-T61 PolarHBondContact O-OG1 2.88Å; W58-T61 PolarHBondContact O-N 3.43Å; W58-T61 PolarHBondContact O-OG1 2.76Å; T61-N63 VanDerWaalsContact C-N 3.35Å; T61-N63 PolarHBondContact O-N 3.47Å; T61-A64 PolarHBondContact O-N 2.88Å; T61-G65 PolarHBondContact O-N 2.9Å
62K81.3Confident83Confident62 Ų6250.4 Ų50.427%0.2732%0.323SS..Hα-helixtrans-69.7-31.8-179-69-66.3-173.2170.60113.2W58 G65 G66 A67 L68W58-K62 HydrophobicContact CD2-CG 3.95Å; W58-K62 HydrophobicContact CG-CG 4.29Å; W58-K62 HydrophobicContact CZ2-CG 4.01Å; W58-K62 WeakPolarHBondContact O-CB 3.47Å; W58-K62 WeakPolarHBondContact O-CG 3.4Å; W58-K62 PolarHBondContact O-N 2.89Å; K62-G65 PolarHBondContact O-N 2.9Å; K62-G66 PolarHBondContact O-N 3.3Å; K62-A67 HydrophobicContact CD-CB 4.41Å; K62-A67 PolarHBondContact O-N 3.42Å; K62-L68 HydrophobicContact CB-CD1 3.68Å; K62-L68 HydrophobicContact CB-CG 3.9Å
63N74.8Confident83.1Confident59 Ų5950.8 Ų50.832%0.31633%0.325SS..Hα-helixtrans-70.5-37.5173.8-172.151.3000113S59 T61 G65 G66 Q73S59-N63 VanDerWaalsContact O-CB 3.24Å; S59-N63 WeakPolarHBondContact O-CB 3.3Å; S59-N63 PolarHBondContact O-N 3.12Å; T61-N63 VanDerWaalsContact C-N 3.35Å; T61-N63 PolarHBondContact O-N 3.47Å; N63-G65 PolarHBondContact O-N 3.33Å; N63-G66 PolarHBondContact O-N 3.25Å; N63-Q73 PolarHBondContact ND2-NE2 3.28Å
64A69.3Low83.2Confident92 Ų9248 Ų4876%0.7631%0.311SS*.Hα-helixtrans-62-23.5174.300000112.7V60 T61V60-A64 PolarHBondContact O-N 2.72Å; T61-A64 PolarHBondContact O-N 2.88Å
65G66.1Low83.3Confident63 Ų6346.6 Ų46.665%0.64930%0.303SS*.THydrogen-bonded Turntrans-956.9173.400000115.5T61 K62 N63 A67T61-G65 PolarHBondContact O-N 2.9Å; K62-G65 PolarHBondContact O-N 2.9Å; N63-G65 PolarHBondContact O-N 3.33Å; G65-A67 PolarHBondContact O-N 3.28Å
66G72.2Confident83.3Confident65 Ų6546.6 Ų46.667%0.6730%0.303SS*.THydrogen-bonded Turntrans66.414.9-179.300000115.4K62 N63K62-G66 PolarHBondContact O-N 3.3Å; N63-G66 PolarHBondContact O-N 3.25Å
67A75.1Confident83.3Confident51 Ų5147 Ų4742%0.42131%0.305SS..  trans-86.8-6.6-17000000114.6K62 G65K62-A67 HydrophobicContact CD-CB 4.41Å; K62-A67 PolarHBondContact O-N 3.42Å; G65-A67 PolarHBondContact O-N 3.28Å
68L80.8Confident83.4Confident11 Ų1143.3 Ų43.36%0.05829%0.285CS..SBendtrans-122.4140.2178.5-67.9173.7000110I27 W58 K62 Q72I27-L68 HydrophobicContact CD1-CD2 3.95Å; W58-L68 HydrophobicContact CE3-CD1 4.43Å; W58-L68 HydrophobicContact CH2-CD1 4.26Å; W58-L68 HydrophobicContact CH2-CD2 3.94Å; W58-L68 HydrophobicContact CZ3-CD1 3.85Å; W58-L68 HydrophobicContact CZ3-CD2 4.25Å; K62-L68 HydrophobicContact CB-CD1 3.68Å; K62-L68 HydrophobicContact CB-CG 3.9Å; L68-Q72 HydrophobicContact CD2-CB 4.31Å
69S85.8Confident83.5Confident56 Ų5642.5 Ų42.539%0.39228%0.282SS..  trans-68.6157164.868.10000111V71 Q72 Q73S69-V71 PolarHBondContact O-N 3.04Å; S69-Q72 PolarHBondContact O-N 2.91Å; S69-Q72 WeakPolarHBondContact OG-CB 3.49Å; S69-Q72 WeakPolarHBondContact OG-CG 3.4Å; S69-Q72 PolarHBondContact OG-N 2.91Å; S69-Q72 PolarHBondContact OG-OE1 3.47Å; S69-Q73 PolarHBondContact O-N 3.48Å
70N84.4Confident83.6Confident93 Ų9342.5 Ų42.550%0.49728%0.282SS..Hα-helixtrans-55.7-39.3177.9-68.4-12.8000112Q73 A74 C114N70-Q73 PolarHBondContact O-N 2.77Å; N70-A74 WeakPolarHBondContact O-CB 3.41Å; N70-A74 PolarHBondContact O-N 3.43Å; N70-C114 PolarHBondContact O-SG 2.76Å
71V87.8Confident83.8Confident67 Ų6739.5 Ų39.541%0.40626%0.264SS..Hα-helixtrans-68.4-43.9179.5178.50000111.3S69 Q73 A74 K75 C114S69-V71 PolarHBondContact O-N 3.04Å; V71-Q73 VanDerWaalsContact C-N 3.33Å; V71-Q73 PolarHBondContact O-N 3.21Å; V71-A74 PolarHBondContact O-N 3.18Å; V71-K75 HydrophobicContact CG1-CD 4.45Å; V71-K75 WeakPolarHBondContact O-CG 3.24Å; V71-K75 PolarHBondContact O-N 3.35Å; V71-C114 HydrophobicContact CG2-CB 4.36Å
72Q87.9Confident84Confident31 Ų3135 Ų3515%0.14524%0.236CC..Hα-helixtrans-62.5-42.1175.4-75.1165.5-28.900111.1D24 I27 L68 S69 A74 K75 V76D24-Q72 PolarHBondContact OD1-NE2 3.31Å; I27-Q72 HydrophobicContact CD1-CB 3.91Å; I27-Q72 HydrophobicContact CD1-CG 4.18Å; L68-Q72 HydrophobicContact CD2-CB 4.31Å; S69-Q72 PolarHBondContact O-N 2.91Å; S69-Q72 WeakPolarHBondContact OG-CB 3.49Å; S69-Q72 WeakPolarHBondContact OG-CG 3.4Å; S69-Q72 PolarHBondContact OG-N 2.91Å; S69-Q72 PolarHBondContact OG-OE1 3.47Å; Q72-A74 PolarHBondContact O-N 3.46Å; Q72-K75 PolarHBondContact O-N 3.05Å; Q72-V76 VanDerWaalsContact O-CG2 3.26Å; Q72-V76 WeakPolarHBondContact O-CG2 3.36Å; Q72-V76 PolarHBondContact O-N 3.47Å
73Q89Confident84.3Confident8 Ų832.1 Ų32.14%0.03722%0.224CC..Hα-helixtrans-61.1-44.9174.5-174.1-177.743.800111.7S59 N63 S69 N70 V71 K75 V76 R77S59-Q73 PolarHBondContact O-NE2 2.82Å; N63-Q73 PolarHBondContact ND2-NE2 3.28Å; S69-Q73 PolarHBondContact O-N 3.48Å; N70-Q73 PolarHBondContact O-N 2.77Å; V71-Q73 VanDerWaalsContact C-N 3.33Å; V71-Q73 PolarHBondContact O-N 3.21Å; Q73-K75 VanDerWaalsContact C-N 3.32Å; Q73-K75 PolarHBondContact O-N 2.9Å; Q73-V76 PolarHBondContact O-N 3.44Å; Q73-R77 HydrophobicContact CG-CG 4.41Å; Q73-R77 WeakPolarHBondContact O-CB 3.3Å; Q73-R77 WeakPolarHBondContact O-CG 3.46Å; Q73-R77 PolarHBondContact O-N 3.38Å
74A89.6Confident84.9Confident0 Ų030 Ų300%021%0.212CC..Hα-helixtrans-61-40.7178.800000111.7N70 V71 Q72 R77 H78 W111N70-A74 WeakPolarHBondContact O-CB 3.41Å; N70-A74 PolarHBondContact O-N 3.43Å; V71-A74 PolarHBondContact O-N 3.18Å; Q72-A74 PolarHBondContact O-N 3.46Å; A74-R77 PolarHBondContact O-N 3.17Å; A74-H78 WeakPolarHBondContact O-CB 3.23Å; A74-H78 PolarHBondContact O-N 3.26Å; A74-W111 HydrophobicContact CB-CD2 3.74Å; A74-W111 HydrophobicContact CB-CE3 3.78Å; A74-W111 HydrophobicContact CB-CG 4.35Å; A74-W111 HydrophobicContact CB-CH2 4.08Å; A74-W111 HydrophobicContact CB-CZ2 4.01Å; A74-W111 HydrophobicContact CB-CZ3 3.96Å
75K90.5Very high85.6Confident28 Ų2826.3 Ų26.312%0.12218%0.179CC..Hα-helixtrans-64.1-43.1175.9-73.6178.6-178.4178.60113.3I27 E28 F31 V71 Q72 Q73 H78 A79 W111I27-K75 HydrophobicContact CG2-CB 3.72Å; I27-K75 HydrophobicContact CG2-CD 4.24Å; E28-K75 IonicContact OE1-NZ 3.96Å; E28-K75 PolarHBondContact OE1-NZ 3.43Å; E28-K75 IonicContact OE2-NZ 2.91Å; E28-K75 PolarHBondContact OE2-NZ 2.86Å; F31-K75 HydrophobicContact CB-CB 4.09Å; F31-K75 HydrophobicContact CB-CD 4.39Å; F31-K75 HydrophobicContact CB-CG 4.34Å; F31-K75 HydrophobicContact CD1-CD 4.03Å; F31-K75 HydrophobicContact CD1-CG 4.05Å; F31-K75 HydrophobicContact CD2-CB 3.8Å; F31-K75 HydrophobicContact CD2-CG 3.79Å; F31-K75 HydrophobicContact CE1-CG 4.32Å; F31-K75 HydrophobicContact CE2-CB 4.44Å; F31-K75 HydrophobicContact CE2-CG 4.07Å; F31-K75 HydrophobicContact CG-CB 3.93Å; F31-K75 HydrophobicContact CG-CD 4.08Å; F31-K75 HydrophobicContact CG-CG 3.78Å; F31-K75 HydrophobicContact CZ-CG 4.34Å; V71-K75 HydrophobicContact CG1-CD 4.45Å; V71-K75 WeakPolarHBondContact O-CG 3.24Å; V71-K75 PolarHBondContact O-N 3.35Å; Q72-K75 PolarHBondContact O-N 3.05Å; Q73-K75 VanDerWaalsContact C-N 3.32Å; Q73-K75 PolarHBondContact O-N 2.9Å; K75-H78 WeakPolarHBondContact O-CB 3.38Å; K75-H78 PolarHBondContact O-N 3.01Å; K75-A79 PolarHBondContact O-N 3.44Å; K75-W111 HydrophobicContact CG-CH2 3.82Å; K75-W111 HydrophobicContact CG-CZ2 4.25Å
76V89.9Confident86.3Confident1 Ų123.4 Ų23.41%0.00615%0.148CC..Hα-helixtrans-68.4-43.3178.1178.70000110.8I27 L55 W58 Q72 Q73 H78 A79 A80I27-V76 HydrophobicContact CB-CG2 4.47Å; I27-V76 HydrophobicContact CD1-CG2 3.84Å; I27-V76 HydrophobicContact CG1-CG2 3.78Å; I27-V76 HydrophobicContact CG2-CG2 3.92Å; L55-V76 HydrophobicContact CB-CG1 4.4Å; W58-V76 HydrophobicContact CE3-CG1 4.06Å; W58-V76 HydrophobicContact CZ3-CG1 4.17Å; W58-V76 HydrophobicContact CZ3-CG2 3.93Å; Q72-V76 VanDerWaalsContact O-CG2 3.26Å; Q72-V76 WeakPolarHBondContact O-CG2 3.36Å; Q72-V76 PolarHBondContact O-N 3.47Å; Q73-V76 PolarHBondContact O-N 3.44Å; V76-H78 VanDerWaalsContact C-N 3.34Å; V76-A79 PolarHBondContact O-N 3.38Å; V76-A80 WeakPolarHBondContact O-CB 3.25Å; V76-A80 PolarHBondContact O-N 2.96Å
77R90.9Very high86.4Confident29 Ų2920.8 Ų20.811%0.10912%0.12CC..Hα-helixtrans-63.3-39.8175-75.9-171.9-179.4179.57.2112.1W56 Q73 A74 A80 C81 K106 T107W56-R77 HydrophobicContact CE3-CB 4.39Å; W56-R77 HydrophobicContact CE3-CG 4.06Å; W56-R77 HydrophobicContact CH2-CG 4.28Å; W56-R77 HydrophobicContact CZ3-CB 3.86Å; W56-R77 HydrophobicContact CZ3-CG 3.68Å; Q73-R77 HydrophobicContact CG-CG 4.41Å; Q73-R77 WeakPolarHBondContact O-CB 3.3Å; Q73-R77 WeakPolarHBondContact O-CG 3.46Å; Q73-R77 PolarHBondContact O-N 3.38Å; A74-R77 PolarHBondContact O-N 3.17Å; R77-A80 PolarHBondContact O-N 3Å; R77-C81 WeakPolarHBondContact O-CB 3.22Å; R77-C81 PolarHBondContact O-N 3.29Å; R77-K106 PolarHBondContact NH1-O 3.11Å; R77-T107 HydrophobicContact CB-CG2 4.31Å; R77-T107 PolarHBondContact O-OG1 2.88Å
78H91.8Very high86.2Confident14 Ų1420.6 Ų20.67%0.06511%0.11CC..Hα-helixtrans-55.7-55.2172-175.8124.7000110.4F31 A74 K75 V76 A80 C81 S82 T107 W111 M119 F123F31-H78 HydrophobicContact CD2-CB 4.26Å; F31-H78 HydrophobicContact CE2-CB 3.99Å; F31-H78 AromaticContact CE2-CD2 3.91Å; F31-H78 AromaticContact CE2-CG 3.62Å; F31-H78 AromaticContact CE2-ND1 3.71Å; A74-H78 WeakPolarHBondContact O-CB 3.23Å; A74-H78 PolarHBondContact O-N 3.26Å; K75-H78 WeakPolarHBondContact O-CB 3.38Å; K75-H78 PolarHBondContact O-N 3.01Å; V76-H78 VanDerWaalsContact C-N 3.34Å; H78-A80 PolarHBondContact O-N 2.84Å; H78-C81 PolarHBondContact O-N 2.96Å; H78-S82 PolarHBondContact CD2-OG 3.3Å; H78-S82 WeakPolarHBondContact O-CB 3.29Å; H78-S82 PolarHBondContact O-N 2.86Å; H78-S82 PolarHBondContact O-OG 3.32Å; H78-S82 VanDerWaalsContact O-OG 3.07Å; H78-T107 HydrophobicContact CB-CG2 4.38Å; H78-W111 HydrophobicContact CB-CZ2 3.98Å; H78-W111 AromaticContact ND1-CE2 3.92Å; H78-W111 AromaticContact ND1-CZ2 3.87Å; H78-W111 AromaticContact ND1-NE1 3.52Å; H78-M119 WeakPolarHBondContact CE1-CE 3.08Å; H78-M119 WeakPolarHBondContact ND1-CE 3.33Å; H78-F123 HydrophobicContact CB-CE2 4.4Å; H78-F123 HydrophobicContact CB-CZ 4.21Å; H78-F123 AromaticContact CD2-CZ 3.66Å; H78-F123 AromaticContact CE1-CE2 3.38Å; H78-F123 WeakPolarHBondContact CE1-CE2 3.3Å; H78-F123 AromaticContact CE1-CZ 3.5Å; H78-F123 VanDerWaalsContact CE1-CZ 3.5Å; H78-F123 WeakPolarHBondContact CE1-CZ 3.4Å; H78-F123 AromaticContact CG-CE2 3.71Å; H78-F123 AromaticContact CG-CZ 3.51Å; H78-F123 AromaticContact ND1-CE2 3.18Å; H78-F123 WeakPolarHBondContact ND1-CE2 3.45Å; H78-F123 AromaticContact ND1-CZ 3.45Å; H78-F123 WeakPolarHBondContact ND1-CZ 3.45Å; H78-F123 AromaticContact NE2-CZ 3.63Å
79A89.9Confident85.5Confident0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-60.1-46.8-178.800000111.8L30 V34 K75 V76 C81 S82 L83L30-A79 HydrophobicContact CD2-CB 4.22Å; L30-A79 HydrophobicContact CG-CB 4.07Å; V34-A79 HydrophobicContact CB-CB 4.14Å; V34-A79 HydrophobicContact CG1-CB 4.19Å; V34-A79 HydrophobicContact CG2-CB 4.21Å; K75-A79 PolarHBondContact O-N 3.44Å; V76-A79 PolarHBondContact O-N 3.38Å; A79-C81 PolarHBondContact O-N 2.95Å; A79-S82 PolarHBondContact O-N 3.31Å; A79-L83 WeakPolarHBondContact O-CB 3.32Å; A79-L83 WeakPolarHBondContact O-CG 3.32Å; A79-L83 PolarHBondContact O-N 3.45Å
80A90.1Very high84.6Confident0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-59.9-44.3177.300000112.5A52 L55 W56 V76 R77 H78 L84 M103A52-A80 WeakPolarHBondContact CB-O 3.38Å; A52-A80 WeakPolarHBondContact O-CB 3.44Å; L55-A80 HydrophobicContact CB-CB 3.9Å; W56-A80 HydrophobicContact CB-CB 4.2Å; W56-A80 HydrophobicContact CE3-CB 4.25Å; V76-A80 WeakPolarHBondContact O-CB 3.25Å; V76-A80 PolarHBondContact O-N 2.96Å; R77-A80 PolarHBondContact O-N 3Å; H78-A80 PolarHBondContact O-N 2.84Å; A80-L84 PolarHBondContact O-N 3.48Å; A80-L84 VanDerWaalsContact O-N 3.11Å; A80-M103 HydrophobicContact CB-CE 4.05Å
81C89.9Confident84Confident0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-68-45.8179.7-167.60000111.6R77 H78 A79 L83 L84 Y85 A104 T107 F123R77-C81 WeakPolarHBondContact O-CB 3.22Å; R77-C81 PolarHBondContact O-N 3.29Å; H78-C81 PolarHBondContact O-N 2.96Å; A79-C81 PolarHBondContact O-N 2.95Å; C81-L83 VanDerWaalsContact C-N 3.34Å; C81-L83 PolarHBondContact O-N 3.49Å; C81-L84 WeakPolarHBondContact O-CB 3.43Å; C81-L84 PolarHBondContact O-N 3.46Å; C81-Y85 WeakPolarHBondContact O-CD2 3.41Å; C81-Y85 PolarHBondContact O-N 3.32Å; C81-Y85 VanDerWaalsContact O-N 3.15Å; C81-A104 VanDerWaalsContact SG-CA 3.59Å; C81-T107 HydrophobicContact CB-CG2 4.43Å; C81-F123 HydrophobicContact CB-CD1 4.03Å; C81-F123 HydrophobicContact CB-CE1 3.75Å
82S88.1Confident83.6Confident5 Ų529.1 Ų29.14%0.03515%0.148CC..Hα-helixtrans-60.8-43178.1-61.10000111.6H78 A79 L84 Y85 C86H78-S82 PolarHBondContact CD2-OG 3.3Å; H78-S82 WeakPolarHBondContact O-CB 3.29Å; H78-S82 PolarHBondContact O-N 2.86Å; H78-S82 PolarHBondContact O-OG 3.32Å; H78-S82 VanDerWaalsContact O-OG 3.07Å; A79-S82 PolarHBondContact O-N 3.31Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 2.99Å; S82-Y85 PolarHBondContact O-N 2.98Å; S82-C86 PolarHBondContact O-N 3.14Å; S82-C86 PolarHBondContact O-SG 3.27Å
83L86.5Confident83.3Confident1 Ų132.3 Ų32.31%0.00517%0.17CC..Hα-helixtrans-61.6-40.5175.8-70.1172.2000112.3F4 V8 V34 L48 A52 L55 A79 C81 Y85 C86 C87F4-L83 HydrophobicContact CE1-CD2 4.33Å; F4-L83 HydrophobicContact CZ-CD2 4.36Å; V8-L83 HydrophobicContact CG1-CD1 3.67Å; V8-L83 HydrophobicContact CG1-CD2 4.25Å; V34-L83 HydrophobicContact CG1-CD2 4.35Å; V34-L83 HydrophobicContact CG1-CG 4.14Å; V34-L83 HydrophobicContact CG2-CD1 4.37Å; V34-L83 HydrophobicContact CG2-CD2 4.26Å; V34-L83 HydrophobicContact CG2-CG 4.31Å; L48-L83 HydrophobicContact CD2-CD2 4.25Å; A52-L83 HydrophobicContact CB-CB 3.85Å; L55-L83 HydrophobicContact CD1-CD1 4.02Å; A79-L83 WeakPolarHBondContact O-CB 3.32Å; A79-L83 WeakPolarHBondContact O-CG 3.32Å; A79-L83 PolarHBondContact O-N 3.45Å; C81-L83 VanDerWaalsContact C-N 3.34Å; C81-L83 PolarHBondContact O-N 3.49Å; L83-Y85 PolarHBondContact O-N 3.25Å; L83-C86 PolarHBondContact O-N 3.15Å; L83-C87 PolarHBondContact O-N 2.69Å; L83-C87 PolarHBondContact O-SG 3.29Å
84L87Confident82.9Confident15 Ų1534.3 Ų34.38%0.07918%0.18CC..Hα-helixtrans-61.2-44177.2-175.873.6000112.1E49 A52 A80 C81 S82 C87 Q100 M103E49-L84 HydrophobicContact CG-CD1 4.33Å; A52-L84 HydrophobicContact CB-CB 4.27Å; A80-L84 PolarHBondContact O-N 3.48Å; A80-L84 VanDerWaalsContact O-N 3.11Å; C81-L84 WeakPolarHBondContact O-CB 3.43Å; C81-L84 PolarHBondContact O-N 3.46Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 2.99Å; L84-C87 PolarHBondContact O-N 3.2Å; L84-Q100 HydrophobicContact CD2-CG 3.99Å; L84-Q100 HydrophobicContact CG-CG 4.48Å; L84-M103 HydrophobicContact CB-CE 4.24Å; L84-M103 HydrophobicContact CD2-CB 4.41Å; L84-M103 HydrophobicContact CD2-CE 4.12Å; L84-M103 HydrophobicContact CD2-CG 4.46Å; L84-M103 HydrophobicContact CD2-SD 3.65Å
85Y84.2Confident82.5Confident14 Ų1436.3 Ų36.36%0.05520%0.2CC..Hα-helixtrans-69.9-31.8179.1-84-98.1000112.3C81 S82 L83 C87 E88 Q100 A104 L126 S130C81-Y85 WeakPolarHBondContact O-CD2 3.41Å; C81-Y85 PolarHBondContact O-N 3.32Å; C81-Y85 VanDerWaalsContact O-N 3.15Å; S82-Y85 PolarHBondContact O-N 2.98Å; L83-Y85 PolarHBondContact O-N 3.25Å; Y85-C87 VanDerWaalsContact C-N 3.25Å; Y85-C87 PolarHBondContact O-N 3.3Å; Y85-E88 WeakPolarHBondContact O-CB 3.38Å; Y85-E88 PolarHBondContact O-N 2.92Å; Y85-Q100 HydrophobicContact CE1-CB 4.38Å; Y85-Q100 HydrophobicContact CE1-CG 4.37Å; Y85-Q100 HydrophobicContact CE2-CB 4.02Å; Y85-Q100 HydrophobicContact CE2-CG 4.17Å; Y85-Q100 PolarHBondContact OH-O 2.87Å; Y85-A104 HydrophobicContact CE2-CB 3.98Å; Y85-A104 WeakPolarHBondContact OH-CB 3.43Å; Y85-L126 HydrophobicContact CD1-CD1 4.34Å; Y85-L126 HydrophobicContact CD1-CD2 4.17Å; Y85-L126 HydrophobicContact CD2-CD1 4.42Å; Y85-L126 HydrophobicContact CE1-CB 3.97Å; Y85-L126 HydrophobicContact CE1-CD1 4.4Å; Y85-L126 HydrophobicContact CE1-CD2 4.11Å; Y85-L126 HydrophobicContact CE1-CG 4.4Å; Y85-L126 HydrophobicContact CE2-CD1 4.5Å; Y85-L126 HydrophobicContact CG-CD1 4.33Å; Y85-S130 WeakPolarHBondContact CE1-OG 3.4Å; Y85-S130 PolarHBondContact OH-OG 3.05Å; Y85-S130 VanDerWaalsContact OH-OG 3.08Å
86C80.4Confident82.2Confident2 Ų236.2 Ų36.21%0.01421%0.205CC..Hα-helixtrans-66.6-26.1173.8-66.60000113.1I43 S82 L83I43-C86 PolarHBondContact N-O 3.42Å; S82-C86 PolarHBondContact O-N 3.14Å; S82-C86 PolarHBondContact O-SG 3.27Å; L83-C86 PolarHBondContact O-N 3.15Å
87C75.6Confident81.9Confident11 Ų1136.2 Ų36.27%0.07420%0.204CC..THydrogen-bonded Turntrans-92.510.9-178.5-63.70000114.3L48 E49 L83 L84 Y85L48-C87 WeakPolarHBondContact CB-SG 3.46Å; E49-C87 HydrophobicContact CB-CB 4.2Å; L83-C87 PolarHBondContact O-N 2.69Å; L83-C87 PolarHBondContact O-SG 3.29Å; L84-C87 PolarHBondContact O-N 3.2Å; Y85-C87 VanDerWaalsContact C-N 3.25Å; Y85-C87 PolarHBondContact O-N 3.3Å
88E70.4Confident81.7Confident46 Ų4638.4 Ų38.422%0.21521%0.213CC..  trans-64.6125.9-174.2-177.8-178.2-12400113K42 Y85 P92 Q100K42-E88 WeakPolarHBondContact CE-OE2 3.32Å; K42-E88 IonicContact NZ-OE2 2.77Å; K42-E88 PolarHBondContact NZ-OE2 3.41Å; Y85-E88 WeakPolarHBondContact O-CB 3.38Å; Y85-E88 PolarHBondContact O-N 2.92Å; E88-P92 HydrophobicContact CG-CB 4.48Å; E88-P92 HydrophobicContact CG-CG 4.46Å; E88-Q100 PolarHBondContact OE1-NE2 3.46Å
89P66.6Low81.4Confident74 Ų7442.8 Ų42.848%0.48123%0.232SC..  trans-71.1153.2170.429.8-33.6000111.4N91 P92P89-N91 PolarHBondContact O-N 2.93Å; P89-P92 HydrophobicContact CG-CB 4.49Å
90E65.7Low81.4Confident175 Ų17543.1 Ų43.182%0.81823%0.233SC*.SBendtrans-54.4-28.2-176.6-71.7-175.916400114.3
91N72.3Confident81.3Confident143 Ų14343.3 Ų43.377%0.76523%0.234SC*.SBendtrans-128.792.2172.4-70.8-50.7000110.5P89P89-N91 PolarHBondContact O-N 2.93Å
92P78.5Confident81.3Confident14 Ų1447 Ų479%0.09125%0.254CS..  trans-71.4141-179.128-32.5000111.6E88 P89 A96 I97 Q137E88-P92 HydrophobicContact CG-CB 4.48Å; E88-P92 HydrophobicContact CG-CG 4.46Å; P89-P92 HydrophobicContact CG-CB 4.49Å; P92-A96 HydrophobicContact CB-CB 4.27Å; P92-I97 HydrophobicContact CB-CD1 4.42Å; P92-I97 HydrophobicContact CB-CG1 3.84Å; P92-I97 HydrophobicContact CG-CD1 4Å; P92-I97 HydrophobicContact CG-CG1 3.78Å; P92-Q137 PolarHBondContact O-NE2 3.34Å
93T82.4Confident81.5Confident98 Ų9847.2 Ų47.260%0.60125%0.254SS*.  trans-70.3156.6174.461.40000110.9G95 A96 I97T93-G95 PolarHBondContact O-N 3.25Å; T93-G95 VanDerWaalsContact O-N 3.15Å; T93-A96 WeakPolarHBondContact O-CA 3.39Å; T93-A96 WeakPolarHBondContact O-CB 3.43Å; T93-A96 PolarHBondContact O-N 3.09Å; T93-A96 PolarHBondContact OG1-N 2.95Å; T93-I97 WeakPolarHBondContact O-CG1 3.35Å; T93-I97 PolarHBondContact O-N 2.89Å
94E81.3Confident81.7Confident51 Ų5147.2 Ų47.224%0.23825%0.254CS..Hα-helixtrans-50.7-42.4177.3-167.2-171.8147.900112.3A96 I97 R98 L134 R141E94-A96 PolarHBondContact O-N 3.44Å; E94-I97 PolarHBondContact O-N 2.89Å; E94-R98 WeakPolarHBondContact O-CG 3.23Å; E94-R98 PolarHBondContact O-N 3.29Å; E94-R98 IonicContact OE1-CZ 3.71Å; E94-R98 IonicContact OE1-NE 3.31Å; E94-R98 PolarHBondContact OE1-NE 3.36Å; E94-R98 IonicContact OE1-NH2 3.38Å; E94-R98 PolarHBondContact OE1-NH2 2.94Å; E94-L134 HydrophobicContact CG-CD1 3.57Å; E94-R141 IonicContact OE2-CZ 3.81Å; E94-R141 IonicContact OE2-NH1 2.87Å; E94-R141 PolarHBondContact OE2-NH1 2.92Å; E94-R141 IonicContact OE2-NH2 3.97Å
95G81.3Confident81.9Confident41 Ų4147.7 Ų47.742%0.42326%0.259SS..Hα-helixtrans-65.9-33.8177.200000113.7T93 K99T93-G95 PolarHBondContact O-N 3.25Å; T93-G95 VanDerWaalsContact O-N 3.15Å; G95-K99 WeakPolarHBondContact O-CG 3.28Å; G95-K99 PolarHBondContact O-N 3.12Å
96A82.9Confident82.3Confident27 Ų2751.6 Ų51.622%0.22328%0.276CS..Hα-helixtrans-69.7-42.5174.400000111.3P92 T93 E94 K99 Q100P92-A96 HydrophobicContact CB-CB 4.27Å; T93-A96 WeakPolarHBondContact O-CA 3.39Å; T93-A96 WeakPolarHBondContact O-CB 3.43Å; T93-A96 PolarHBondContact O-N 3.09Å; T93-A96 PolarHBondContact OG1-N 2.95Å; E94-A96 PolarHBondContact O-N 3.44Å; A96-K99 WeakPolarHBondContact O-CB 3.37Å; A96-K99 PolarHBondContact O-N 3.29Å; A96-Q100 WeakPolarHBondContact O-CG 3.41Å; A96-Q100 PolarHBondContact O-N 3.3Å
97I83.9Confident82.8Confident0 Ų051.5 Ų51.50%028%0.275CS..Hα-helixtrans-65.8-41.8177.7-56.4171.5000111P92 T93 E94 K99 Q100 I101 S130 T133 L134 Q137P92-I97 HydrophobicContact CB-CD1 4.42Å; P92-I97 HydrophobicContact CB-CG1 3.84Å; P92-I97 HydrophobicContact CG-CD1 4Å; P92-I97 HydrophobicContact CG-CG1 3.78Å; T93-I97 WeakPolarHBondContact O-CG1 3.35Å; T93-I97 PolarHBondContact O-N 2.89Å; E94-I97 PolarHBondContact O-N 2.89Å; I97-K99 VanDerWaalsContact C-N 3.31Å; I97-K99 PolarHBondContact O-N 3.05Å; I97-Q100 WeakPolarHBondContact O-CB 3.25Å; I97-Q100 PolarHBondContact O-N 2.81Å; I97-Q100 VanDerWaalsContact O-N 3.15Å; I97-I101 HydrophobicContact CG2-CD1 3.93Å; I97-I101 HydrophobicContact CG2-CG1 4.4Å; I97-I101 VanDerWaalsContact O-CG1 3.29Å; I97-I101 WeakPolarHBondContact O-CG1 3.48Å; I97-I101 PolarHBondContact O-N 3.38Å; I97-S130 WeakPolarHBondContact CG2-O 3.37Å; I97-T133 HydrophobicContact CD1-CG2 4.06Å; I97-L134 HydrophobicContact CG2-CB 3.79Å; I97-Q137 VanDerWaalsContact CD1-OE1 3.27Å
98R86Confident83.6Confident76 Ų7651 Ų5129%0.28727%0.272SS..Hα-helixtrans-60.6-38.1174.4-73.1179.9-176-92.44.9112.4E94 L102 L134E94-R98 WeakPolarHBondContact O-CG 3.23Å; E94-R98 PolarHBondContact O-N 3.29Å; E94-R98 IonicContact OE1-CZ 3.71Å; E94-R98 IonicContact OE1-NE 3.31Å; E94-R98 PolarHBondContact OE1-NE 3.36Å; E94-R98 IonicContact OE1-NH2 3.38Å; E94-R98 PolarHBondContact OE1-NH2 2.94Å; R98-L102 WeakPolarHBondContact O-CB 3.36Å; R98-L102 PolarHBondContact O-N 3.47Å; R98-L134 HydrophobicContact CG-CD2 3.9Å
99K87.3Confident84.7Confident106 Ų10652.4 Ų52.446%0.46128%0.275SS..Hα-helixtrans-65.1-43172.7-73.5175.1-172.8177.10111.9G95 A96 I97 I101 L102 M103G95-K99 WeakPolarHBondContact O-CG 3.28Å; G95-K99 PolarHBondContact O-N 3.12Å; A96-K99 WeakPolarHBondContact O-CB 3.37Å; A96-K99 PolarHBondContact O-N 3.29Å; I97-K99 VanDerWaalsContact C-N 3.31Å; I97-K99 PolarHBondContact O-N 3.05Å; K99-I101 PolarHBondContact O-N 3.21Å; K99-L102 PolarHBondContact O-N 2.95Å; K99-M103 WeakPolarHBondContact O-CB 3.47Å; K99-M103 WeakPolarHBondContact O-CG 3.35Å; K99-M103 PolarHBondContact O-N 2.94Å
100Q87.9Confident85.8Confident7 Ų749.2 Ų49.23%0.03325%0.254CS..Hα-helixtrans-59.5-45175.7-76.4176.5-16.600112L84 Y85 E88 A96 I97 M103 A104 S130L84-Q100 HydrophobicContact CD2-CG 3.99Å; L84-Q100 HydrophobicContact CG-CG 4.48Å; Y85-Q100 HydrophobicContact CE1-CB 4.38Å; Y85-Q100 HydrophobicContact CE1-CG 4.37Å; Y85-Q100 HydrophobicContact CE2-CB 4.02Å; Y85-Q100 HydrophobicContact CE2-CG 4.17Å; Y85-Q100 PolarHBondContact OH-O 2.87Å; E88-Q100 PolarHBondContact OE1-NE2 3.46Å; A96-Q100 WeakPolarHBondContact O-CG 3.41Å; A96-Q100 PolarHBondContact O-N 3.3Å; I97-Q100 WeakPolarHBondContact O-CB 3.25Å; I97-Q100 PolarHBondContact O-N 2.81Å; I97-Q100 VanDerWaalsContact O-N 3.15Å; Q100-M103 PolarHBondContact O-N 3.45Å; Q100-A104 WeakPolarHBondContact O-CB 3.45Å; Q100-A104 PolarHBondContact O-N 3.19Å; Q100-S130 PolarHBondContact OE1-OG 3.21Å
101I89.5Confident87.2Confident4 Ų441.2 Ų41.22%0.02122%0.217CC..Hα-helixtrans-62.5-48.1177.1-65.3160.4000110.1I97 K99 M103 S105 L131 L134 I162I97-I101 HydrophobicContact CG2-CD1 3.93Å; I97-I101 HydrophobicContact CG2-CG1 4.4Å; I97-I101 VanDerWaalsContact O-CG1 3.29Å; I97-I101 WeakPolarHBondContact O-CG1 3.48Å; I97-I101 PolarHBondContact O-N 3.38Å; K99-I101 PolarHBondContact O-N 3.21Å; I101-M103 PolarHBondContact O-N 3.06Å; I101-S105 WeakPolarHBondContact O-CB 3.46Å; I101-S105 PolarHBondContact O-N 3.1Å; I101-S105 PolarHBondContact O-OG 3.09Å; I101-L131 HydrophobicContact CD1-CB 4.4Å; I101-L131 HydrophobicContact CD1-CD2 3.62Å; I101-L131 HydrophobicContact CD1-CG 3.78Å; I101-L131 HydrophobicContact CG1-CD2 4.29Å; I101-L131 HydrophobicContact CG1-CG 3.95Å; I101-L131 HydrophobicContact CG2-CD1 4.38Å; I101-L131 HydrophobicContact CG2-CD2 4.08Å; I101-L131 HydrophobicContact CG2-CG 3.9Å; I101-L134 HydrophobicContact CD1-CB 4.13Å; I101-L134 HydrophobicContact CD1-CD2 3.57Å; I101-I162 HydrophobicContact CG2-CD1 4.04Å
102L90.2Very high88Confident78 Ų7835 Ų3541%0.40818%0.183SC..Hα-helixtrans-59.5-47.3178.7179.267.7000111.6R98 K99 S105 K106R98-L102 WeakPolarHBondContact O-CB 3.36Å; R98-L102 PolarHBondContact O-N 3.47Å; K99-L102 PolarHBondContact O-N 2.95Å; L102-S105 PolarHBondContact O-OG 3.45Å; L102-S105 VanDerWaalsContact O-OG 3.12Å; L102-K106 HydrophobicContact CD1-CD 3.79Å; L102-K106 HydrophobicContact CD1-CG 4.36Å; L102-K106 HydrophobicContact CG-CD 4.29Å; L102-K106 VanDerWaalsContact O-CB 3.28Å; L102-K106 WeakPolarHBondContact O-CB 3.43Å; L102-K106 WeakPolarHBondContact O-CG 3.5Å; L102-K106 PolarHBondContact O-N 3.38Å; L102-K106 VanDerWaalsContact O-N 3.13Å
103M91Very high88.6Confident9 Ų938 Ų384%0.04420%0.199CC..Hα-helixtrans-70.2-43.1-177-71.9-175.751.700111.5W56 A80 L84 K99 Q100 I101 T107W56-M103 HydrophobicContact CB-CE 3.92Å; W56-M103 HydrophobicContact CB-SD 4.33Å; W56-M103 HydrophobicContact CD2-CE 3.81Å; W56-M103 HydrophobicContact CD2-CG 3.67Å; W56-M103 HydrophobicContact CD2-SD 3.95Å; W56-M103 HydrophobicContact CE3-CB 4.25Å; W56-M103 HydrophobicContact CE3-CE 3.58Å; W56-M103 HydrophobicContact CE3-CG 3.84Å; W56-M103 HydrophobicContact CE3-SD 4.23Å; W56-M103 HydrophobicContact CG-CE 3.97Å; W56-M103 HydrophobicContact CG-CG 4.26Å; W56-M103 HydrophobicContact CG-SD 3.98Å; W56-M103 VanDerWaalsContact CH2-CA 3.47Å; W56-M103 HydrophobicContact CH2-CB 4.01Å; W56-M103 HydrophobicContact CH2-CG 3.97Å; W56-M103 WeakPolarHBondContact CH2-O 3.4Å; W56-M103 HydrophobicContact CZ2-CB 4.32Å; W56-M103 HydrophobicContact CZ2-CG 3.81Å; W56-M103 HydrophobicContact CZ3-CB 3.96Å; W56-M103 HydrophobicContact CZ3-CE 4.31Å; W56-M103 HydrophobicContact CZ3-CG 3.97Å; A80-M103 HydrophobicContact CB-CE 4.05Å; L84-M103 HydrophobicContact CB-CE 4.24Å; L84-M103 HydrophobicContact CD2-CB 4.41Å; L84-M103 HydrophobicContact CD2-CE 4.12Å; L84-M103 HydrophobicContact CD2-CG 4.46Å; L84-M103 HydrophobicContact CD2-SD 3.65Å; K99-M103 WeakPolarHBondContact O-CB 3.47Å; K99-M103 WeakPolarHBondContact O-CG 3.35Å; K99-M103 PolarHBondContact O-N 2.94Å; Q100-M103 PolarHBondContact O-N 3.45Å; I101-M103 PolarHBondContact O-N 3.06Å; M103-T107 WeakPolarHBondContact O-CB 3.38Å; M103-T107 PolarHBondContact O-N 2.97Å; M103-T107 PolarHBondContact O-OG1 3.29Å
104A90.9Very high89Confident0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-68.8-45.7179.500000112.3C81 Y85 Q100 T107 G108 L126 A127C81-A104 VanDerWaalsContact SG-CA 3.59Å; Y85-A104 HydrophobicContact CE2-CB 3.98Å; Y85-A104 WeakPolarHBondContact OH-CB 3.43Å; Q100-A104 WeakPolarHBondContact O-CB 3.45Å; Q100-A104 PolarHBondContact O-N 3.19Å; A104-T107 PolarHBondContact O-N 2.78Å; A104-G108 PolarHBondContact O-N 3.09Å; A104-L126 HydrophobicContact CB-CB 4.45Å; A104-A127 HydrophobicContact CB-CB 3.73Å
105S91.6Very high89.3Confident26 Ų2641.4 Ų41.418%0.18221%0.207CC..Hα-helixtrans-61.5-46.9177.659.30000112.4I101 L102 G108 R109I101-S105 WeakPolarHBondContact O-CB 3.46Å; I101-S105 PolarHBondContact O-N 3.1Å; I101-S105 PolarHBondContact O-OG 3.09Å; L102-S105 PolarHBondContact O-OG 3.45Å; L102-S105 VanDerWaalsContact O-OG 3.12Å; S105-G108 PolarHBondContact O-N 3.12Å; S105-R109 PolarHBondContact O-N 3.41Å
106K91.8Very high89.8Confident96 Ų9642 Ų4242%0.41720%0.201SC..Hα-helixtrans-69.6-32.3178.3-77.7-177.1171.9-175.80113.1W56 R77 L102 T110W56-K106 HydrophobicContact CH2-CB 3.69Å; W56-K106 HydrophobicContact CH2-CD 4.48Å; W56-K106 HydrophobicContact CZ2-CB 4.02Å; W56-K106 HydrophobicContact CZ2-CD 3.95Å; R77-K106 PolarHBondContact NH1-O 3.11Å; L102-K106 HydrophobicContact CD1-CD 3.79Å; L102-K106 HydrophobicContact CD1-CG 4.36Å; L102-K106 HydrophobicContact CG-CD 4.29Å; L102-K106 VanDerWaalsContact O-CB 3.28Å; L102-K106 WeakPolarHBondContact O-CB 3.43Å; L102-K106 WeakPolarHBondContact O-CG 3.5Å; L102-K106 PolarHBondContact O-N 3.38Å; L102-K106 VanDerWaalsContact O-N 3.13Å; K106-T110 PolarHBondContact O-N 3.27Å; K106-T110 PolarHBondContact O-OG1 3.32Å
107T91.4Very high90.1Very high0 Ų041.6 Ų41.60%020%0.196CC..Hα-helixtrans-66.4-47.1172.8-60.30000110.6W56 R77 H78 C81 M103 A104 R109 T110 W111 F123W56-T107 WeakPolarHBondContact CZ3-OG1 3.46Å; R77-T107 HydrophobicContact CB-CG2 4.31Å; R77-T107 PolarHBondContact O-OG1 2.88Å; H78-T107 HydrophobicContact CB-CG2 4.38Å; C81-T107 HydrophobicContact CB-CG2 4.43Å; M103-T107 WeakPolarHBondContact O-CB 3.38Å; M103-T107 PolarHBondContact O-N 2.97Å; M103-T107 PolarHBondContact O-OG1 3.29Å; A104-T107 PolarHBondContact O-N 2.78Å; T107-R109 PolarHBondContact O-N 2.9Å; T107-T110 WeakPolarHBondContact CA-OG1 3.23Å; T107-T110 PolarHBondContact O-N 3.14Å; T107-T110 PolarHBondContact O-OG1 2.76Å; T107-W111 VanDerWaalsContact O-CD1 3.27Å; T107-W111 PolarHBondContact O-N 2.87Å; T107-W111 VanDerWaalsContact O-N 3.12Å; T107-F123 HydrophobicContact CG2-CB 4.38Å; T107-F123 HydrophobicContact CG2-CD1 3.9Å; T107-F123 HydrophobicContact CG2-CD2 3.72Å; T107-F123 HydrophobicContact CG2-CE1 4.1Å; T107-F123 HydrophobicContact CG2-CE2 3.96Å; T107-F123 HydrophobicContact CG2-CG 3.7Å; T107-F123 HydrophobicContact CG2-CZ 4.13Å
108G92.7Very high90.3Very high0 Ų048.5 Ų48.50%023%0.228CC..Hα-helixtrans-56.8-48174.300000111.9A104 S105 T110 W111 L112 A120A104-G108 PolarHBondContact O-N 3.09Å; S105-G108 PolarHBondContact O-N 3.12Å; G108-T110 PolarHBondContact O-N 2.91Å; G108-W111 PolarHBondContact O-N 3.12Å; G108-L112 PolarHBondContact O-N 3.49Å; G108-L112 VanDerWaalsContact O-N 3.09Å; G108-A120 WeakPolarHBondContact O-CB 3.4Å
109R93.1Very high90.5Very high76 Ų7647.6 Ų47.629%0.28723%0.228SC..Hα-helixtrans-58.1-45.4176-178.368-151.2175.216.1112.7S105 T107 W111 L112 D113 E168S105-R109 PolarHBondContact O-N 3.41Å; T107-R109 PolarHBondContact O-N 2.9Å; R109-W111 VanDerWaalsContact C-N 3.29Å; R109-W111 PolarHBondContact O-N 3.17Å; R109-L112 WeakPolarHBondContact O-CB 3.35Å; R109-L112 PolarHBondContact O-N 3.38Å; R109-L112 VanDerWaalsContact O-N 3.12Å; R109-D113 IonicContact CZ-OD1 2.73Å; R109-D113 IonicContact NE-OD1 3.92Å; R109-D113 PolarHBondContact NE-OD1 3.27Å; R109-D113 IonicContact NE-OD2 3.93Å; R109-D113 IonicContact NH2-OD1 3.91Å; R109-D113 PolarHBondContact NH2-OD1 3.28Å; R109-D113 VanDerWaalsContact O-CG 3.28Å; R109-D113 PolarHBondContact O-N 3.48Å; R109-E168 IonicContact CZ-OE1 2.61Å; R109-E168 IonicContact CZ-OE2 2.53Å; R109-E168 IonicContact NH1-OE1 3.69Å; R109-E168 PolarHBondContact NH1-OE1 3.2Å; R109-E168 IonicContact NH1-OE2 2.89Å; R109-E168 PolarHBondContact NH1-OE2 2.9Å; R109-E168 IonicContact NH2-OE1 3.68Å; R109-E168 PolarHBondContact NH2-OE1 3.45Å; R109-E168 IonicContact NH2-OE2 2.93Å
110T91Very high90.7Very high6 Ų642.6 Ų42.64%0.03721%0.206CC..Hα-helixtrans-63.9-33178.7380000113.8K106 T107 G108 D113 C114K106-T110 PolarHBondContact O-N 3.27Å; K106-T110 PolarHBondContact O-OG1 3.32Å; T107-T110 WeakPolarHBondContact CA-OG1 3.23Å; T107-T110 PolarHBondContact O-N 3.14Å; T107-T110 PolarHBondContact O-OG1 2.76Å; G108-T110 PolarHBondContact O-N 2.91Å; T110-D113 PolarHBondContact O-N 3.06Å; T110-C114 PolarHBondContact O-N 3Å; T110-C114 VanDerWaalsContact O-N 3.11Å; T110-C114 PolarHBondContact O-SG 3.2Å
111W93.2Very high90.8Very high8 Ų844.3 Ų44.33%0.0322%0.215CC..Hα-helixtrans-69.7-35.8173.9-79.1118.5000112.2F31 A74 K75 H78 T107 G108 R109 C114 K115 N116 M119 A120F31-W111 HydrophobicContact CE2-CH2 4.24Å; F31-W111 AromaticContact CE2-CZ2 3.84Å; F31-W111 HydrophobicContact CE2-CZ2 3.84Å; F31-W111 HydrophobicContact CZ-CH2 4.17Å; F31-W111 HydrophobicContact CZ-CZ2 4.15Å; A74-W111 HydrophobicContact CB-CD2 3.74Å; A74-W111 HydrophobicContact CB-CE3 3.78Å; A74-W111 HydrophobicContact CB-CG 4.35Å; A74-W111 HydrophobicContact CB-CH2 4.08Å; A74-W111 HydrophobicContact CB-CZ2 4.01Å; A74-W111 HydrophobicContact CB-CZ3 3.96Å; K75-W111 HydrophobicContact CG-CH2 3.82Å; K75-W111 HydrophobicContact CG-CZ2 4.25Å; H78-W111 HydrophobicContact CB-CZ2 3.98Å; H78-W111 AromaticContact ND1-CE2 3.92Å; H78-W111 AromaticContact ND1-CZ2 3.87Å; H78-W111 AromaticContact ND1-NE1 3.52Å; T107-W111 VanDerWaalsContact O-CD1 3.27Å; T107-W111 PolarHBondContact O-N 2.87Å; T107-W111 VanDerWaalsContact O-N 3.12Å; G108-W111 PolarHBondContact O-N 3.12Å; R109-W111 VanDerWaalsContact C-N 3.29Å; R109-W111 PolarHBondContact O-N 3.17Å; W111-C114 HydrophobicContact CE3-CB 4.45Å; W111-C114 CarbonylContact O-C 3.37Å; W111-C114 PolarHBondContact O-N 3.46Å; W111-K115 PolarHBondContact O-N 2.77Å; W111-N116 HydrophobicContact CE3-CB 3.93Å; W111-N116 HydrophobicContact CZ3-CB 4.48Å; W111-N116 PolarHBondContact O-N 3.04Å; W111-M119 HydrophobicContact CB-CB 4.41Å; W111-M119 HydrophobicContact CD2-CB 3.77Å; W111-M119 HydrophobicContact CE3-CB 4.12Å; W111-M119 HydrophobicContact CG-CB 3.92Å; W111-M119 HydrophobicContact CZ2-CE 4.45Å; W111-A120 HydrophobicContact CB-CB 3.79Å
112L91.1Very high90.8Very high11 Ų1147.1 Ų47.16%0.05823%0.229CC..Hα-helixtrans-64-43.9171.1-66.2173.1000111.9G108 R109 C114 K115 P117 A120 L124 C165 E168G108-L112 PolarHBondContact O-N 3.49Å; G108-L112 VanDerWaalsContact O-N 3.09Å; R109-L112 WeakPolarHBondContact O-CB 3.35Å; R109-L112 PolarHBondContact O-N 3.38Å; R109-L112 VanDerWaalsContact O-N 3.12Å; L112-C114 PolarHBondContact O-N 2.88Å; L112-K115 WeakPolarHBondContact O-CA 3.28Å; L112-K115 PolarHBondContact O-N 3.44Å; L112-P117 HydrophobicContact CD2-CB 4.11Å; L112-A120 HydrophobicContact CD2-CB 3.84Å; L112-A120 HydrophobicContact CG-CB 3.78Å; L112-L124 HydrophobicContact CD1-CD1 4.26Å; L112-C165 HydrophobicContact CD1-CB 3.72Å; L112-C165 WeakPolarHBondContact CD1-O 3.36Å; L112-E168 HydrophobicContact CD1-CB 4.39Å; L112-E168 HydrophobicContact CD1-CG 4.44Å
113D89.7Confident90.8Very high79 Ų7943.4 Ų43.442%0.42221%0.209SC..Hα-helixtrans-61.6-25.8175.6-61.5-30.7000112R109 T110 K115R109-D113 IonicContact CZ-OD1 2.73Å; R109-D113 IonicContact NE-OD1 3.92Å; R109-D113 PolarHBondContact NE-OD1 3.27Å; R109-D113 IonicContact NE-OD2 3.93Å; R109-D113 IonicContact NH2-OD1 3.91Å; R109-D113 PolarHBondContact NH2-OD1 3.28Å; R109-D113 VanDerWaalsContact O-CG 3.28Å; R109-D113 PolarHBondContact O-N 3.48Å; T110-D113 PolarHBondContact O-N 3.06Å; D113-K115 VanDerWaalsContact C-N 3.31Å
114C90.4Very high90.9Very high28 Ų2843 Ų4319%0.18921%0.207CC..THydrogen-bonded Turntrans-865.9172.6-63.50000114.1N70 V71 T110 W111 L112 N116N70-C114 PolarHBondContact O-SG 2.76Å; V71-C114 HydrophobicContact CG2-CB 4.36Å; T110-C114 PolarHBondContact O-N 3Å; T110-C114 VanDerWaalsContact O-N 3.11Å; T110-C114 PolarHBondContact O-SG 3.2Å; W111-C114 HydrophobicContact CE3-CB 4.45Å; W111-C114 CarbonylContact O-C 3.37Å; W111-C114 PolarHBondContact O-N 3.46Å; L112-C114 PolarHBondContact O-N 2.88Å; C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.49Å
115K88.9Confident90.9Very high192 Ų19250.5 Ų50.584%0.83524%0.235SC*.THydrogen-bonded Turntrans56.933.4-174.9-54.6-174.1177-173.60113.9W111 L112 D113 P117W111-K115 PolarHBondContact O-N 2.77Å; L112-K115 WeakPolarHBondContact O-CA 3.28Å; L112-K115 PolarHBondContact O-N 3.44Å; D113-K115 VanDerWaalsContact C-N 3.31Å; K115-P117 VanDerWaalsContact C-CD 3.48Å; K115-P117 VanDerWaalsContact O-CD 3.29Å; K115-P117 WeakPolarHBondContact O-CD 3.33Å
116N90.6Very high90.8Very high53 Ų5350.4 Ų50.428%0.28323%0.233SC..  trans-117.677.4175.7-164.9-19.6000111.3W111 C114 Q118 M119 A120W111-N116 HydrophobicContact CE3-CB 3.93Å; W111-N116 HydrophobicContact CZ3-CB 4.48Å; W111-N116 PolarHBondContact O-N 3.04Å; C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.49Å; N116-Q118 VanDerWaalsContact C-N 3.33Å; N116-Q118 PolarHBondContact O-N 3.27Å; N116-M119 WeakPolarHBondContact ND2-CG 3.44Å; N116-M119 PolarHBondContact O-N 3.11Å; N116-M119 WeakPolarHBondContact OD1-CG 3.42Å; N116-M119 PolarHBondContact OD1-N 2.99Å; N116-A120 PolarHBondContact O-N 2.72Å
117P89.6Confident90.8Very high18 Ų1845.9 Ų45.912%0.11721%0.213CC..Hα-helixtrans-68.4-29.9-173.629-36.9000113.2L112 K115 M119 A120 D121 S169 Q173L112-P117 HydrophobicContact CD2-CB 4.11Å; K115-P117 VanDerWaalsContact C-CD 3.48Å; K115-P117 VanDerWaalsContact O-CD 3.29Å; K115-P117 WeakPolarHBondContact O-CD 3.33Å; P117-M119 VanDerWaalsContact C-N 3.33Å; P117-M119 PolarHBondContact O-N 3.45Å; P117-A120 WeakPolarHBondContact O-CB 3.28Å; P117-A120 PolarHBondContact O-N 2.84Å; P117-A120 VanDerWaalsContact O-N 3.1Å; P117-D121 PolarHBondContact O-N 3.24Å; P117-S169 VanDerWaalsContact CB-OG 3.28Å; P117-S169 WeakPolarHBondContact CB-OG 3.35Å; P117-S169 PolarHBondContact O-OG 3.28Å; P117-Q173 HydrophobicContact CB-CG 3.75Å; P117-Q173 HydrophobicContact CG-CG 3.52Å
118Q89.4Confident90.7Very high146 Ų14646.6 Ų46.668%0.68222%0.217SC*.Hα-helixtrans-60.4-42.6177.9-66178.7-10.100112.1N116 A120N116-Q118 VanDerWaalsContact C-N 3.33Å; N116-Q118 PolarHBondContact O-N 3.27Å; Q118-A120 VanDerWaalsContact C-N 3.34Å
119M88.2Confident90.6Very high57 Ų5752.8 Ų52.828%0.28124%0.244SC..Hα-helixtrans-73.5-28.8177.4-66.4-61.2-71.500112.1F31 H78 W111 N116 P117 F123F31-M119 HydrophobicContact CE2-CE 4.37Å; F31-M119 HydrophobicContact CZ-CE 3.94Å; H78-M119 WeakPolarHBondContact CE1-CE 3.08Å; H78-M119 WeakPolarHBondContact ND1-CE 3.33Å; W111-M119 HydrophobicContact CB-CB 4.41Å; W111-M119 HydrophobicContact CD2-CB 3.77Å; W111-M119 HydrophobicContact CE3-CB 4.12Å; W111-M119 HydrophobicContact CG-CB 3.92Å; W111-M119 HydrophobicContact CZ2-CE 4.45Å; N116-M119 WeakPolarHBondContact ND2-CG 3.44Å; N116-M119 PolarHBondContact O-N 3.11Å; N116-M119 WeakPolarHBondContact OD1-CG 3.42Å; N116-M119 PolarHBondContact OD1-N 2.99Å; P117-M119 VanDerWaalsContact C-N 3.33Å; P117-M119 PolarHBondContact O-N 3.45Å; M119-F123 WeakPolarHBondContact O-CD2 3.29Å
120A92.3Very high90.3Very high0 Ų049.4 Ų49.40%023%0.232CC..Hα-helixtrans-68.6-4117700000112.4G108 W111 L112 N116 P117 Q118 H122 F123 L124G108-A120 WeakPolarHBondContact O-CB 3.4Å; W111-A120 HydrophobicContact CB-CB 3.79Å; L112-A120 HydrophobicContact CD2-CB 3.84Å; L112-A120 HydrophobicContact CG-CB 3.78Å; N116-A120 PolarHBondContact O-N 2.72Å; P117-A120 WeakPolarHBondContact O-CB 3.28Å; P117-A120 PolarHBondContact O-N 2.84Å; P117-A120 VanDerWaalsContact O-N 3.1Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; A120-H122 VanDerWaalsContact C-N 3.26Å; A120-H122 PolarHBondContact O-N 2.95Å; A120-F123 PolarHBondContact O-N 3.25Å; A120-F123 VanDerWaalsContact O-N 3.09Å; A120-L124 HydrophobicContact CB-CD1 4.23Å; A120-L124 WeakPolarHBondContact O-CG 3.23Å; A120-L124 PolarHBondContact O-N 3.43Å
121D90.8Very high90.2Very high43 Ų4349.4 Ų49.423%0.2323%0.232CC..Hα-helixtrans-56.1-37.1-173.7-77-13.6000114.1P117 R125 S169 Q173P117-D121 PolarHBondContact O-N 3.24Å; D121-R125 WeakPolarHBondContact O-CB 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.48Å; D121-R125 PolarHBondContact O-N 3.24Å; D121-R125 PolarHBondContact O-NE 3.42Å; D121-S169 VanDerWaalsContact OD1-CB 3.24Å; D121-S169 WeakPolarHBondContact OD1-CB 3.08Å; D121-S169 PolarHBondContact OD1-OG 2.93Å; D121-Q173 PolarHBondContact OD2-NE2 2.67Å
122H89.1Confident89.9Confident64 Ų6454.2 Ų54.230%0.29626%0.255SS..Hα-helixtrans-61.2-51.6177.6-177.470.8000111T39 A120 R125 L126T39-H122 PolarHBondContact OG1-CE1 2.98Å; T39-H122 PolarHBondContact OG1-NE2 2.79Å; A120-H122 VanDerWaalsContact C-N 3.26Å; A120-H122 PolarHBondContact O-N 2.95Å; H122-R125 PolarHBondContact O-N 2.65Å; H122-L126 WeakPolarHBondContact O-CG 3.48Å; H122-L126 PolarHBondContact O-N 3.31Å; H122-L126 VanDerWaalsContact O-N 3.07Å
123F90.7Very high89.6Confident0 Ų056.1 Ų56.10%027%0.267CS..Hα-helixtrans-70.9-34.7-178.7-65.8-78.8000112.8H78 C81 T107 M119 A120 R125 L126 A127H78-F123 HydrophobicContact CB-CE2 4.4Å; H78-F123 HydrophobicContact CB-CZ 4.21Å; H78-F123 AromaticContact CD2-CZ 3.66Å; H78-F123 AromaticContact CE1-CE2 3.38Å; H78-F123 WeakPolarHBondContact CE1-CE2 3.3Å; H78-F123 AromaticContact CE1-CZ 3.5Å; H78-F123 VanDerWaalsContact CE1-CZ 3.5Å; H78-F123 WeakPolarHBondContact CE1-CZ 3.4Å; H78-F123 AromaticContact CG-CE2 3.71Å; H78-F123 AromaticContact CG-CZ 3.51Å; H78-F123 AromaticContact ND1-CE2 3.18Å; H78-F123 WeakPolarHBondContact ND1-CE2 3.45Å; H78-F123 AromaticContact ND1-CZ 3.45Å; H78-F123 WeakPolarHBondContact ND1-CZ 3.45Å; H78-F123 AromaticContact NE2-CZ 3.63Å; C81-F123 HydrophobicContact CB-CD1 4.03Å; C81-F123 HydrophobicContact CB-CE1 3.75Å; T107-F123 HydrophobicContact CG2-CB 4.38Å; T107-F123 HydrophobicContact CG2-CD1 3.9Å; T107-F123 HydrophobicContact CG2-CD2 3.72Å; T107-F123 HydrophobicContact CG2-CE1 4.1Å; T107-F123 HydrophobicContact CG2-CE2 3.96Å; T107-F123 HydrophobicContact CG2-CG 3.7Å; T107-F123 HydrophobicContact CG2-CZ 4.13Å; M119-F123 WeakPolarHBondContact O-CD2 3.29Å; A120-F123 PolarHBondContact O-N 3.25Å; A120-F123 VanDerWaalsContact O-N 3.09Å; F123-R125 VanDerWaalsContact C-N 3.35Å; F123-L126 HydrophobicContact CD1-CD1 4.33Å; F123-L126 PolarHBondContact O-N 3.3Å; F123-A127 WeakPolarHBondContact O-CB 3.34Å; F123-A127 PolarHBondContact O-N 3.22Å
124L92.9Very high89.4Confident0 Ų052.4 Ų52.40%025%0.247CC..Hα-helixtrans-64.8-40.4175.7-65.4173.5000111.2L112 A120 A127 V128 I162 C165 Q166L112-L124 HydrophobicContact CD1-CD1 4.26Å; A120-L124 HydrophobicContact CB-CD1 4.23Å; A120-L124 WeakPolarHBondContact O-CG 3.23Å; A120-L124 PolarHBondContact O-N 3.43Å; L124-A127 WeakPolarHBondContact O-CB 3.45Å; L124-A127 PolarHBondContact O-N 2.83Å; L124-V128 WeakPolarHBondContact O-CG2 3.5Å; L124-V128 PolarHBondContact O-N 3.06Å; L124-I162 HydrophobicContact CD2-CG2 4.39Å; L124-C165 HydrophobicContact CD1-CB 3.93Å; L124-C165 HydrophobicContact CD2-CB 3.69Å; L124-C165 HydrophobicContact CG-CB 4.49Å; L124-Q166 HydrophobicContact CB-CG 3.69Å; L124-Q166 HydrophobicContact CD1-CG 3.98Å; L124-Q166 HydrophobicContact CG-CG 4.36Å
125R90.7Very high89Confident158 Ų15855.4 Ų55.460%0.59626%0.255SS*.Hα-helixtrans-63.6-40.6172.8-76-175.3-69.5168.8-4.9112.6D121 H122 F123 A127 V128 K129D121-R125 WeakPolarHBondContact O-CB 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.48Å; D121-R125 PolarHBondContact O-N 3.24Å; D121-R125 PolarHBondContact O-NE 3.42Å; H122-R125 PolarHBondContact O-N 2.65Å; F123-R125 VanDerWaalsContact C-N 3.35Å; R125-A127 VanDerWaalsContact C-N 3.34Å; R125-V128 PolarHBondContact O-N 2.95Å; R125-K129 PolarHBondContact O-N 3.11Å
126L89.5Confident88.8Confident24 Ų2449.5 Ų49.513%0.12624%0.238CC..Hα-helixtrans-60.7-44.4173.4-72177.1000111.4T39 Y85 A104 H122 F123 V128 K129 S130T39-L126 HydrophobicContact CG2-CD1 4.41Å; Y85-L126 HydrophobicContact CD1-CD1 4.34Å; Y85-L126 HydrophobicContact CD1-CD2 4.17Å; Y85-L126 HydrophobicContact CD2-CD1 4.42Å; Y85-L126 HydrophobicContact CE1-CB 3.97Å; Y85-L126 HydrophobicContact CE1-CD1 4.4Å; Y85-L126 HydrophobicContact CE1-CD2 4.11Å; Y85-L126 HydrophobicContact CE1-CG 4.4Å; Y85-L126 HydrophobicContact CE2-CD1 4.5Å; Y85-L126 HydrophobicContact CG-CD1 4.33Å; A104-L126 HydrophobicContact CB-CB 4.45Å; H122-L126 WeakPolarHBondContact O-CG 3.48Å; H122-L126 PolarHBondContact O-N 3.31Å; H122-L126 VanDerWaalsContact O-N 3.07Å; F123-L126 HydrophobicContact CD1-CD1 4.33Å; F123-L126 PolarHBondContact O-N 3.3Å; L126-V128 VanDerWaalsContact C-N 3.35Å; L126-V128 PolarHBondContact O-N 3.39Å; L126-K129 PolarHBondContact O-N 2.95Å; L126-S130 PolarHBondContact O-N 3.45Å; L126-S130 PolarHBondContact O-OG 3.03Å
127A91.1Very high88.3Confident0 Ų049.7 Ų49.70%024%0.237CC..Hα-helixtrans-61-41.517800000112.2A104 F123 L124 R125 L131 I162A104-A127 HydrophobicContact CB-CB 3.73Å; F123-A127 WeakPolarHBondContact O-CB 3.34Å; F123-A127 PolarHBondContact O-N 3.22Å; L124-A127 WeakPolarHBondContact O-CB 3.45Å; L124-A127 PolarHBondContact O-N 2.83Å; R125-A127 VanDerWaalsContact C-N 3.34Å; A127-L131 WeakPolarHBondContact O-CB 3.37Å; A127-L131 WeakPolarHBondContact O-CG 3.48Å; A127-L131 PolarHBondContact O-N 3.19Å; A127-I162 HydrophobicContact CB-CD1 3.65Å; A127-I162 HydrophobicContact CB-CG1 4.17Å; A127-I162 HydrophobicContact CB-CG2 4.26Å
128V90.4Very high87.8Confident16 Ų1650.5 Ų50.510%0.09724%0.24CC..Hα-helixtrans-62.6-46.11741750000111.1L124 R125 L126 S130 L131 E132 I162L124-V128 WeakPolarHBondContact O-CG2 3.5Å; L124-V128 PolarHBondContact O-N 3.06Å; R125-V128 PolarHBondContact O-N 2.95Å; L126-V128 VanDerWaalsContact C-N 3.35Å; L126-V128 PolarHBondContact O-N 3.39Å; V128-S130 PolarHBondContact O-N 3.25Å; V128-L131 WeakPolarHBondContact O-CB 3.47Å; V128-L131 PolarHBondContact O-N 2.85Å; V128-L131 VanDerWaalsContact O-N 3.15Å; V128-E132 HydrophobicContact CG1-CG 4.39Å; V128-E132 WeakPolarHBondContact O-CG 3.38Å; V128-E132 PolarHBondContact O-N 2.94Å; V128-I162 HydrophobicContact CG2-CG2 3.53Å
129K88.9Confident87Confident129 Ų12948.7 Ų48.756%0.56123%0.234SC*.Hα-helixtrans-62.2-42.4179.1-172.7-178.1178.8-174.80112.3R125 L126 L131 E132 T133R125-K129 PolarHBondContact O-N 3.11Å; L126-K129 PolarHBondContact O-N 2.95Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-E132 PolarHBondContact O-N 3.17Å; K129-T133 PolarHBondContact O-N 3.45Å; K129-T133 PolarHBondContact O-OG1 2.93Å
130S88.2Confident86.3Confident6 Ų650.7 Ų50.74%0.04225%0.253CS..Hα-helixtrans-66.4-36.4174.6-69.30000111.7Y85 I97 Q100 L126 V128 T133 L134Y85-S130 WeakPolarHBondContact CE1-OG 3.4Å; Y85-S130 PolarHBondContact OH-OG 3.05Å; Y85-S130 VanDerWaalsContact OH-OG 3.08Å; I97-S130 WeakPolarHBondContact CG2-O 3.37Å; Q100-S130 PolarHBondContact OE1-OG 3.21Å; L126-S130 PolarHBondContact O-N 3.45Å; L126-S130 PolarHBondContact O-OG 3.03Å; V128-S130 PolarHBondContact O-N 3.25Å; S130-T133 PolarHBondContact O-N 3.33Å; S130-L134 WeakPolarHBondContact O-CB 3.44Å; S130-L134 PolarHBondContact O-N 3.18Å
131L88.1Confident85.1Confident5 Ų559 Ų593%0.02628%0.284CS..Hα-helixtrans-64.2-42.2172.2-88.1172.8000112.9I101 A127 V128 K129 T133 L134 Y135 V155 D158 L159 I162I101-L131 HydrophobicContact CD1-CB 4.4Å; I101-L131 HydrophobicContact CD1-CD2 3.62Å; I101-L131 HydrophobicContact CD1-CG 3.78Å; I101-L131 HydrophobicContact CG1-CD2 4.29Å; I101-L131 HydrophobicContact CG1-CG 3.95Å; I101-L131 HydrophobicContact CG2-CD1 4.38Å; I101-L131 HydrophobicContact CG2-CD2 4.08Å; I101-L131 HydrophobicContact CG2-CG 3.9Å; A127-L131 WeakPolarHBondContact O-CB 3.37Å; A127-L131 WeakPolarHBondContact O-CG 3.48Å; A127-L131 PolarHBondContact O-N 3.19Å; V128-L131 WeakPolarHBondContact O-CB 3.47Å; V128-L131 PolarHBondContact O-N 2.85Å; V128-L131 VanDerWaalsContact O-N 3.15Å; K129-L131 VanDerWaalsContact C-N 3.34Å; L131-T133 VanDerWaalsContact C-N 3.29Å; L131-T133 PolarHBondContact O-N 3.43Å; L131-L134 PolarHBondContact O-N 3.11Å; L131-Y135 WeakPolarHBondContact O-CB 3.38Å; L131-Y135 PolarHBondContact O-N 2.76Å; L131-V155 HydrophobicContact CD2-CG1 3.96Å; L131-D158 HydrophobicContact CD1-CB 4.43Å; L131-D158 HydrophobicContact CD2-CB 4.08Å; L131-L159 HydrophobicContact CD1-CB 4.07Å; L131-L159 HydrophobicContact CD1-CD1 4.17Å; L131-I162 HydrophobicContact CD1-CD1 3.32Å; L131-I162 HydrophobicContact CG-CD1 4.27Å
132E86.9Confident83.5Confident109 Ų10959.2 Ų59.251%0.50930%0.297SS..Hα-helixtrans-62.8-39.4175.8-72.5172.117000111.2V128 K129 Y135 S136V128-E132 HydrophobicContact CG1-CG 4.39Å; V128-E132 WeakPolarHBondContact O-CG 3.38Å; V128-E132 PolarHBondContact O-N 2.94Å; K129-E132 PolarHBondContact O-N 3.17Å; E132-Y135 PolarHBondContact O-N 2.99Å; E132-S136 WeakPolarHBondContact O-CB 3.47Å; E132-S136 PolarHBondContact O-N 2.96Å; E132-S136 PolarHBondContact O-OG 3.03Å
133T85.5Confident81.9Confident52 Ų5264.1 Ų64.132%0.31933%0.325SS..Hα-helixtrans-64.5-44.8174.1-51.20000111I97 K129 S130 L131 S136 Q137I97-T133 HydrophobicContact CD1-CG2 4.06Å; K129-T133 PolarHBondContact O-N 3.45Å; K129-T133 PolarHBondContact O-OG1 2.93Å; S130-T133 PolarHBondContact O-N 3.33Å; L131-T133 VanDerWaalsContact C-N 3.29Å; L131-T133 PolarHBondContact O-N 3.43Å; T133-S136 PolarHBondContact O-N 3.33Å; T133-S136 PolarHBondContact O-OG 2.88Å; T133-Q137 WeakPolarHBondContact O-CG 3.46Å; T133-Q137 PolarHBondContact O-N 2.73Å; T133-Q137 VanDerWaalsContact O-N 3.09Å
134L85.1Confident80.1Confident1 Ų169 Ų691%0.00537%0.366CS..Hα-helixtrans-62.4-43.9175.1-177.158.8000111.7E94 I97 R98 I101 S130 L131 Q137 L138 V155E94-L134 HydrophobicContact CG-CD1 3.57Å; I97-L134 HydrophobicContact CG2-CB 3.79Å; R98-L134 HydrophobicContact CG-CD2 3.9Å; I101-L134 HydrophobicContact CD1-CB 4.13Å; I101-L134 HydrophobicContact CD1-CD2 3.57Å; S130-L134 WeakPolarHBondContact O-CB 3.44Å; S130-L134 PolarHBondContact O-N 3.18Å; L131-L134 PolarHBondContact O-N 3.11Å; L134-Q137 PolarHBondContact O-N 3.35Å; L134-L138 HydrophobicContact CD1-CD1 4.31Å; L134-L138 HydrophobicContact CD1-CG 4.41Å; L134-L138 HydrophobicContact CG-CD1 4.06Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.47Å; L134-L138 PolarHBondContact O-N 3.17Å; L134-V155 HydrophobicContact CD2-CG2 3.87Å; L134-V155 HydrophobicContact CG-CG2 4.27Å
135Y83.1Confident78.2Confident90 Ų9071.6 Ų71.635%0.35339%0.387SS..Hα-helixtrans-63.6-44.1179.8-172.8-96.7000111.4L131 E132 Q137 L138 M139 K152 V155L131-Y135 WeakPolarHBondContact O-CB 3.38Å; L131-Y135 PolarHBondContact O-N 2.76Å; E132-Y135 PolarHBondContact O-N 2.99Å; Y135-Q137 PolarHBondContact O-N 2.94Å; Y135-L138 PolarHBondContact O-N 3.43Å; Y135-M139 HydrophobicContact CD1-CG 3.92Å; Y135-M139 HydrophobicContact CE1-CG 3.58Å; Y135-M139 HydrophobicContact CE1-SD 4.13Å; Y135-M139 WeakPolarHBondContact O-CB 3.2Å; Y135-M139 VanDerWaalsContact O-CG 3.27Å; Y135-M139 WeakPolarHBondContact O-CG 3.37Å; Y135-M139 PolarHBondContact O-N 2.77Å; Y135-K152 HydrophobicContact CE2-CG 4.47Å; Y135-V155 HydrophobicContact CD2-CG1 4.01Å
136S82.8Confident76.3Confident68 Ų6868.1 Ų68.148%0.47639%0.392SS..Hα-helixtrans-63.9-36.9175.861.70000113.1E132 T133 M139 S140E132-S136 WeakPolarHBondContact O-CB 3.47Å; E132-S136 PolarHBondContact O-N 2.96Å; E132-S136 PolarHBondContact O-OG 3.03Å; T133-S136 PolarHBondContact O-N 3.33Å; T133-S136 PolarHBondContact O-OG 2.88Å; S136-M139 PolarHBondContact O-N 3.43Å; S136-S140 PolarHBondContact O-N 3.43Å
137Q81.4Confident74.7Confident57 Ų5773 Ų7327%0.26642%0.419SS..Hα-helixtrans-67.3-34.2173.2-73.8-173.3-2.300113.2P92 I97 T133 L134 Y135 S140P92-Q137 PolarHBondContact O-NE2 3.34Å; I97-Q137 VanDerWaalsContact CD1-OE1 3.27Å; T133-Q137 WeakPolarHBondContact O-CG 3.46Å; T133-Q137 PolarHBondContact O-N 2.73Å; T133-Q137 VanDerWaalsContact O-N 3.09Å; L134-Q137 PolarHBondContact O-N 3.35Å; Y135-Q137 PolarHBondContact O-N 2.94Å; Q137-S140 PolarHBondContact O-OG 2.62Å
138L78.4Confident73Confident35 Ų3574.7 Ų74.718%0.18343%0.433CS..Hα-helixtrans-73.9-37.8175.6-69.9170.3000111.5L134 Y135 S140 R141 V155L134-L138 HydrophobicContact CD1-CD1 4.31Å; L134-L138 HydrophobicContact CD1-CG 4.41Å; L134-L138 HydrophobicContact CG-CD1 4.06Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.47Å; L134-L138 PolarHBondContact O-N 3.17Å; Y135-L138 PolarHBondContact O-N 3.43Å; L138-S140 VanDerWaalsContact C-N 3.32Å; L138-S140 PolarHBondContact O-N 2.89Å; L138-R141 PolarHBondContact O-N 3.01Å; L138-V155 HydrophobicContact CD1-CG2 3.85Å
139M73.1Confident71.5Confident109 Ų10978.6 Ų78.654%0.53746%0.456SS..Hα-helixtrans-68.2-28177.8-71.7-59-5800113.4Y135 S136 R141Y135-M139 HydrophobicContact CD1-CG 3.92Å; Y135-M139 HydrophobicContact CE1-CG 3.58Å; Y135-M139 HydrophobicContact CE1-SD 4.13Å; Y135-M139 WeakPolarHBondContact O-CB 3.2Å; Y135-M139 VanDerWaalsContact O-CG 3.27Å; Y135-M139 WeakPolarHBondContact O-CG 3.37Å; Y135-M139 PolarHBondContact O-N 2.77Å; S136-M139 PolarHBondContact O-N 3.43Å; M139-R141 VanDerWaalsContact C-N 3.29Å; M139-R141 PolarHBondContact O-N 2.88Å
140S74.1Confident70.2Confident99 Ų9975.3 Ų75.369%0.69245%0.45SS*.THydrogen-bonded Turntrans-76.9-10.7177.865.20000114.2S136 Q137 L138S136-S140 PolarHBondContact O-N 3.43Å; Q137-S140 PolarHBondContact O-OG 2.62Å; L138-S140 VanDerWaalsContact C-N 3.32Å; L138-S140 PolarHBondContact O-N 2.89Å
141R67.4Low69.2Low174 Ų17475.8 Ų75.866%0.65745%0.453SS*.THydrogen-bonded Turntrans-83.2-9.1-178-80.7-177.4171.9168.12115.6E94 L138 M139E94-R141 IonicContact OE2-CZ 3.81Å; E94-R141 IonicContact OE2-NH1 2.87Å; E94-R141 PolarHBondContact OE2-NH1 2.92Å; E94-R141 IonicContact OE2-NH2 3.97Å; L138-R141 PolarHBondContact O-N 3.01Å; M139-R141 VanDerWaalsContact C-N 3.29Å; M139-R141 PolarHBondContact O-N 2.88Å
142G55.9Low68.4Low48 Ų4879.5 Ų79.550%0.49547%0.469SS..  trans69.4149.2179.700000114.5A144G142-A144 PolarHBondContact O-N 3.4Å
143D55.3Low67.7Low166 Ų16676.5 Ų76.589%0.88846%0.463SS*.SBendtrans-6822-168.3-94.1-26.8000116.9A145D143-A145 PolarHBondContact O-N 3.25Å
144A53.3Low67.4Low103 Ų10377.9 Ų77.985%0.85147%0.468SS*.  trans-85.75-167.500000116.4G142G142-A144 PolarHBondContact O-N 3.4Å
145A52.4Low67.3Low54 Ų5478.1 Ų78.145%0.44647%0.47SS..  trans-137.5136.7-178.300000113.7D143 D147 A148D143-A145 PolarHBondContact O-N 3.25Å; A145-D147 PolarHBondContact O-N 3.4Å; A145-D147 VanDerWaalsContact O-N 3.14Å; A145-A148 VanDerWaalsContact O-CB 3.29Å; A145-A148 WeakPolarHBondContact O-CB 3.35Å; A145-A148 PolarHBondContact O-N 2.93Å
146A52Low67.3Low86 Ų8674.7 Ų74.771%0.71146%0.457SS*.Hα-helixtrans-58.7-20.9170.700000113.1A148 T149A146-A148 VanDerWaalsContact C-N 3.3Å; A146-A148 PolarHBondContact O-N 3.34Å; A146-T149 PolarHBondContact O-OG1 2.93Å
147D54.4Low67.4Low127 Ų12776 Ų7668%0.67945%0.454SS*.Hα-helixtrans-73.1-17.1173.3-69-31.2000113.7A145 S150 S151A145-D147 PolarHBondContact O-N 3.4Å; A145-D147 VanDerWaalsContact O-N 3.14Å; D147-S150 PolarHBondContact O-OG 2.92Å; D147-S150 VanDerWaalsContact O-OG 3.12Å; D147-S151 WeakPolarHBondContact O-CB 3.39Å; D147-S151 PolarHBondContact O-N 3.03Å; D147-S151 PolarHBondContact O-OG 3.09Å
148A55.7Low67.7Low35 Ų3576.4 Ų76.429%0.28946%0.458SS..Hα-helixtrans-75.3-29.6177.100000112.3A145 A146 S151 K152A145-A148 VanDerWaalsContact O-CB 3.29Å; A145-A148 WeakPolarHBondContact O-CB 3.35Å; A145-A148 PolarHBondContact O-N 2.93Å; A146-A148 VanDerWaalsContact C-N 3.3Å; A146-A148 PolarHBondContact O-N 3.34Å; A148-S151 WeakPolarHBondContact CA-OG 3.38Å; A148-S151 PolarHBondContact O-OG 3.31Å; A148-S151 VanDerWaalsContact O-OG 3.09Å; A148-K152 VanDerWaalsContact O-CB 3.27Å; A148-K152 WeakPolarHBondContact O-CB 3.47Å; A148-K152 PolarHBondContact O-N 3.18Å; A148-K152 VanDerWaalsContact O-N 3.14Å
149T59.4Low68.3Low97 Ų9776.2 Ų76.260%0.59546%0.457SS*.Hα-helixtrans-79.8-36-179.731.10000112.7A146 A153A146-T149 PolarHBondContact O-OG1 2.93Å; T149-A153 PolarHBondContact O-N 2.96Å
150S61.5Low69.1Low61 Ų6171 Ų7143%0.42743%0.431SS..Hα-helixtrans-67.8-45.9172.456.90000111.8D147 K152 A153 D154D147-S150 PolarHBondContact O-OG 2.92Å; D147-S150 VanDerWaalsContact O-OG 3.12Å; S150-K152 VanDerWaalsContact C-N 3.29Å; S150-K152 PolarHBondContact O-N 3.46Å; S150-A153 PolarHBondContact O-N 3.33Å; S150-D154 PolarHBondContact O-N 2.92Å
151S67.1Low69.9Low15 Ų1570.3 Ų70.311%0.10541%0.413CS..Hα-helixtrans-63.8-31.7177.2550000113.3D147 A148 V155D147-S151 WeakPolarHBondContact O-CB 3.39Å; D147-S151 PolarHBondContact O-N 3.03Å; D147-S151 PolarHBondContact O-OG 3.09Å; A148-S151 WeakPolarHBondContact CA-OG 3.38Å; A148-S151 PolarHBondContact O-OG 3.31Å; A148-S151 VanDerWaalsContact O-OG 3.09Å; S151-V155 WeakPolarHBondContact O-CG2 3.41Å; S151-V155 PolarHBondContact O-N 3.04Å; S151-V155 VanDerWaalsContact O-N 3.16Å
152K71.6Confident71.2Confident83 Ų8362.1 Ų62.136%0.36138%0.383SS..Hα-helixtrans-68.7-42.2172.4-174175.8-178.6176.70112.6Y135 A148 S150 D154 V155 E156Y135-K152 HydrophobicContact CE2-CG 4.47Å; A148-K152 VanDerWaalsContact O-CB 3.27Å; A148-K152 WeakPolarHBondContact O-CB 3.47Å; A148-K152 PolarHBondContact O-N 3.18Å; A148-K152 VanDerWaalsContact O-N 3.14Å; S150-K152 VanDerWaalsContact C-N 3.29Å; S150-K152 PolarHBondContact O-N 3.46Å; K152-D154 VanDerWaalsContact C-N 3.3Å; K152-D154 PolarHBondContact O-N 3.45Å; K152-V155 PolarHBondContact O-N 3.3Å; K152-E156 WeakPolarHBondContact O-CG 3.46Å; K152-E156 PolarHBondContact O-N 2.76Å
153A73.1Confident72.9Confident46 Ų4659.9 Ų59.938%0.3836%0.36SS..Hα-helixtrans-63.6-36.7176.400000112T149 S150 E156 K157T149-A153 PolarHBondContact O-N 2.96Å; S150-A153 PolarHBondContact O-N 3.33Å; A153-E156 PolarHBondContact O-N 2.86Å; A153-K157 WeakPolarHBondContact O-CB 3.48Å; A153-K157 PolarHBondContact O-N 3.11Å
154D77.9Confident74.7Confident82 Ų8252 Ų5244%0.43932%0.317SS..Hα-helixtrans-65.9-41.3174.9-69.6-26.1000112S150 K152 K157 D158S150-D154 PolarHBondContact O-N 2.92Å; K152-D154 VanDerWaalsContact C-N 3.3Å; K152-D154 PolarHBondContact O-N 3.45Å; D154-K157 PolarHBondContact O-N 3.28Å; D154-D158 PolarHBondContact O-N 3.39Å
155V83.1Confident76.6Confident6 Ų647.6 Ų47.64%0.03628%0.28CS..Hα-helixtrans-65-40.3175.5169.90000111.7L131 L134 Y135 L138 S151 K152 K157 D158 L159L131-V155 HydrophobicContact CD2-CG1 3.96Å; L134-V155 HydrophobicContact CD2-CG2 3.87Å; L134-V155 HydrophobicContact CG-CG2 4.27Å; Y135-V155 HydrophobicContact CD2-CG1 4.01Å; L138-V155 HydrophobicContact CD1-CG2 3.85Å; S151-V155 WeakPolarHBondContact O-CG2 3.41Å; S151-V155 PolarHBondContact O-N 3.04Å; S151-V155 VanDerWaalsContact O-N 3.16Å; K152-V155 PolarHBondContact O-N 3.3Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-D158 PolarHBondContact O-N 2.94Å; V155-L159 VanDerWaalsContact O-CB 3.26Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 PolarHBondContact O-N 3.41Å
156E83Confident78.6Confident17 Ų1745.6 Ų45.68%0.07926%0.262CS..Hα-helixtrans-64.2-39174.4-72.8-175.7179.100111.8K152 A153 L159 L160 M189 R192K152-E156 WeakPolarHBondContact O-CG 3.46Å; K152-E156 PolarHBondContact O-N 2.76Å; A153-E156 PolarHBondContact O-N 2.86Å; E156-L159 PolarHBondContact O-N 3.09Å; E156-L160 PolarHBondContact O-N 3.13Å; E156-M189 HydrophobicContact CB-CE 4.21Å; E156-M189 WeakPolarHBondContact O-CE 3.33Å; E156-R192 IonicContact OE1-CZ 2.99Å; E156-R192 IonicContact OE1-NE 3.8Å; E156-R192 IonicContact OE1-NH1 2.86Å; E156-R192 PolarHBondContact OE1-NH1 3.15Å; E156-R192 WeakPolarHBondContact OE2-CB 3.28Å; E156-R192 IonicContact OE2-NE 3.11Å; E156-R192 IonicContact OE2-NH1 3.38Å
157K85.8Confident80.6Confident97 Ų9741.5 Ų41.542%0.42223%0.228SC..Hα-helixtrans-65.5-46.6175.6-174.1-179.2178.8-174.20112A153 D154 V155 L159 L160 R161A153-K157 WeakPolarHBondContact O-CB 3.48Å; A153-K157 PolarHBondContact O-N 3.11Å; D154-K157 PolarHBondContact O-N 3.28Å; V155-K157 VanDerWaalsContact C-N 3.33Å; K157-L159 VanDerWaalsContact C-N 3.32Å; K157-L159 PolarHBondContact O-N 3.47Å; K157-L160 PolarHBondContact O-N 3.12Å; K157-R161 WeakPolarHBondContact O-CG 3.32Å; K157-R161 PolarHBondContact O-N 3.11Å
158D87.1Confident82.4Confident64 Ų6436.7 Ų36.734%0.34220%0.201SC..Hα-helixtrans-62.4-40.8177.3-76.4-17.2000111.3L131 D154 V155 R161 I162L131-D158 HydrophobicContact CD1-CB 4.43Å; L131-D158 HydrophobicContact CD2-CB 4.08Å; D154-D158 PolarHBondContact O-N 3.39Å; V155-D158 PolarHBondContact O-N 2.94Å; D158-R161 PolarHBondContact O-N 2.69Å; D158-I162 WeakPolarHBondContact O-CG1 3.37Å; D158-I162 PolarHBondContact O-N 3.32Å
159L90.1Very high84.2Confident31 Ų3135 Ų3516%0.16219%0.188CC..Hα-helixtrans-62.5-43.6175.1-179.862.6000111.7L131 V155 E156 K157 R161 I162 L163 M189L131-L159 HydrophobicContact CD1-CB 4.07Å; L131-L159 HydrophobicContact CD1-CD1 4.17Å; V155-L159 VanDerWaalsContact O-CB 3.26Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 PolarHBondContact O-N 3.41Å; E156-L159 PolarHBondContact O-N 3.09Å; K157-L159 VanDerWaalsContact C-N 3.32Å; K157-L159 PolarHBondContact O-N 3.47Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.23Å; L159-I162 PolarHBondContact O-N 3.01Å; L159-L163 HydrophobicContact CD1-CD1 3.97Å; L159-L163 HydrophobicContact CD1-CG 3.97Å; L159-L163 HydrophobicContact CD2-CD1 4.44Å; L159-L163 HydrophobicContact CG-CD1 3.79Å; L159-L163 HydrophobicContact CG-CG 4.25Å; L159-L163 WeakPolarHBondContact O-CB 3.35Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.48Å; L159-L163 PolarHBondContact O-N 3.12Å; L159-M189 HydrophobicContact CB-CE 4.04Å; L159-M189 HydrophobicContact CD2-CE 4Å; L159-M189 HydrophobicContact CD2-SD 4.34Å; L159-M189 HydrophobicContact CG-CE 4.05Å; L159-M189 HydrophobicContact CG-SD 4.45Å
160L91.2Very high85.8Confident0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-59.9-42.1175.6-178.8147.6000111.1E156 K157 S164 C186 M189 L190 I193 D196 Y199E156-L160 PolarHBondContact O-N 3.13Å; K157-L160 PolarHBondContact O-N 3.12Å; L160-S164 WeakPolarHBondContact O-CB 3.43Å; L160-S164 PolarHBondContact O-N 2.93Å; L160-S164 PolarHBondContact O-OG 3.4Å; L160-C186 HydrophobicContact CD1-CB 4.44Å; L160-C186 HydrophobicContact CG-CB 4.35Å; L160-M189 HydrophobicContact CB-CE 3.97Å; L160-M189 HydrophobicContact CD1-CB 4.46Å; L160-L190 HydrophobicContact CD1-CD2 4.07Å; L160-I193 HydrophobicContact CB-CD1 3.82Å; L160-I193 HydrophobicContact CD1-CD1 3.45Å; L160-I193 VanDerWaalsContact CD1-CD1 3.45Å; L160-I193 HydrophobicContact CD1-CG1 4.23Å; L160-I193 HydrophobicContact CG-CD1 4.22Å; L160-D196 HydrophobicContact CD1-CB 4.4Å; L160-D196 HydrophobicContact CD2-CB 4.29Å; L160-Y199 HydrophobicContact CD2-CD1 3.89Å; L160-Y199 HydrophobicContact CD2-CE1 3.88Å
161R91.4Very high87.2Confident84 Ų8428.2 Ų28.232%0.31714%0.143SC..Hα-helixtrans-64.5-44.2178.7-65.6-68.2171.5162.6-6111.8K157 D158 L159 S164 C165 D196 Y199K157-R161 WeakPolarHBondContact O-CG 3.32Å; K157-R161 PolarHBondContact O-N 3.11Å; D158-R161 PolarHBondContact O-N 2.69Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.23Å; R161-S164 PolarHBondContact O-N 3.25Å; R161-S164 PolarHBondContact O-OG 3.23Å; R161-C165 PolarHBondContact O-N 3.34Å; R161-C165 VanDerWaalsContact O-N 3.1Å; R161-C165 PolarHBondContact O-SG 3.28Å; R161-D196 IonicContact CZ-OD1 3.83Å; R161-D196 IonicContact NE-OD1 3.59Å; R161-D196 IonicContact NH2-OD1 2.67Å; R161-D196 PolarHBondContact NH2-OD1 2.91Å; R161-Y199 VanDerWaalsContact NH1-CG 3.35Å
162I92.9Very high88.3Confident3 Ų330.6 Ų30.62%0.01516%0.16CC..Hα-helixtrans-67.5-45.2178.4-71.1157000111.2I101 L124 A127 V128 L131 D158 L159 S164 C165 Q166I101-I162 HydrophobicContact CG2-CD1 4.04Å; L124-I162 HydrophobicContact CD2-CG2 4.39Å; A127-I162 HydrophobicContact CB-CD1 3.65Å; A127-I162 HydrophobicContact CB-CG1 4.17Å; A127-I162 HydrophobicContact CB-CG2 4.26Å; V128-I162 HydrophobicContact CG2-CG2 3.53Å; L131-I162 HydrophobicContact CD1-CD1 3.32Å; L131-I162 HydrophobicContact CG-CD1 4.27Å; D158-I162 WeakPolarHBondContact O-CG1 3.37Å; D158-I162 PolarHBondContact O-N 3.32Å; L159-I162 PolarHBondContact O-N 3.01Å; I162-S164 VanDerWaalsContact C-N 3.29Å; I162-S164 PolarHBondContact O-N 3.45Å; I162-C165 WeakPolarHBondContact O-CB 3.18Å; I162-C165 PolarHBondContact O-N 2.94Å; I162-C165 VanDerWaalsContact O-N 3.1Å; I162-Q166 WeakPolarHBondContact O-CG 3.36Å; I162-Q166 PolarHBondContact O-N 2.8Å
163L92.9Very high89.2Confident1 Ų129.8 Ų29.81%0.00516%0.158CC..Hα-helixtrans-60.9-37.8175.6-71.8171.2000111.9L159 C165 Q166 A167 Y182 R185 C186 M189L159-L163 HydrophobicContact CD1-CD1 3.97Å; L159-L163 HydrophobicContact CD1-CG 3.97Å; L159-L163 HydrophobicContact CD2-CD1 4.44Å; L159-L163 HydrophobicContact CG-CD1 3.79Å; L159-L163 HydrophobicContact CG-CG 4.25Å; L159-L163 WeakPolarHBondContact O-CB 3.35Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.48Å; L159-L163 PolarHBondContact O-N 3.12Å; L163-C165 VanDerWaalsContact C-N 3.34Å; L163-C165 PolarHBondContact O-N 3.1Å; L163-Q166 PolarHBondContact O-N 2.7Å; L163-A167 PolarHBondContact O-N 2.78Å; L163-Y182 HydrophobicContact CD2-CD1 3.82Å; L163-Y182 HydrophobicContact CD2-CE1 4.36Å; L163-R185 HydrophobicContact CD1-CB 4.38Å; L163-R185 HydrophobicContact CD1-CG 3.84Å; L163-C186 WeakPolarHBondContact CB-SG 3.36Å; L163-M189 HydrophobicContact CD1-SD 3.94Å
164S92.8Very high89.8Confident0 Ų029.1 Ų29.10%016%0.155CC..Hα-helixtrans-64.4-36.8174.5710000112.7L160 R161 I162 A167 E168 Y199L160-S164 WeakPolarHBondContact O-CB 3.43Å; L160-S164 PolarHBondContact O-N 2.93Å; L160-S164 PolarHBondContact O-OG 3.4Å; R161-S164 PolarHBondContact O-N 3.25Å; R161-S164 PolarHBondContact O-OG 3.23Å; I162-S164 VanDerWaalsContact C-N 3.29Å; I162-S164 PolarHBondContact O-N 3.45Å; S164-A167 PolarHBondContact O-N 3.34Å; S164-E168 PolarHBondContact O-N 3.23Å; S164-Y199 PolarHBondContact OG-OH 3.31Å
165C93.4Very high90.4Very high11 Ų1128.8 Ų28.87%0.07415%0.153CC..Hα-helixtrans-69.6-37.4173.2-64.70000111.7L112 L124 R161 I162 L163 A167 E168 S169L112-C165 HydrophobicContact CD1-CB 3.72Å; L112-C165 WeakPolarHBondContact CD1-O 3.36Å; L124-C165 HydrophobicContact CD1-CB 3.93Å; L124-C165 HydrophobicContact CD2-CB 3.69Å; L124-C165 HydrophobicContact CG-CB 4.49Å; R161-C165 PolarHBondContact O-N 3.34Å; R161-C165 VanDerWaalsContact O-N 3.1Å; R161-C165 PolarHBondContact O-SG 3.28Å; I162-C165 WeakPolarHBondContact O-CB 3.18Å; I162-C165 PolarHBondContact O-N 2.94Å; I162-C165 VanDerWaalsContact O-N 3.1Å; L163-C165 VanDerWaalsContact C-N 3.34Å; L163-C165 PolarHBondContact O-N 3.1Å; C165-A167 VanDerWaalsContact C-N 3.33Å; C165-E168 PolarHBondContact O-N 3.23Å; C165-S169 WeakPolarHBondContact O-CB 3.49Å; C165-S169 PolarHBondContact O-N 3.21Å
166Q93.9Very high90.5Very high12 Ų1230 Ų306%0.05616%0.162CC..Hα-helixtrans-65.6-38.1174.4-69.7-177.7-67.100111.5L124 I162 L163 S169 A170 Y182L124-Q166 HydrophobicContact CB-CG 3.69Å; L124-Q166 HydrophobicContact CD1-CG 3.98Å; L124-Q166 HydrophobicContact CG-CG 4.36Å; I162-Q166 WeakPolarHBondContact O-CG 3.36Å; I162-Q166 PolarHBondContact O-N 2.8Å; L163-Q166 PolarHBondContact O-N 2.7Å; Q166-S169 PolarHBondContact O-N 3.03Å; Q166-A170 WeakPolarHBondContact O-CB 3.45Å; Q166-A170 PolarHBondContact O-N 3.37Å; Q166-Y182 HydrophobicContact CB-CD2 3.72Å; Q166-Y182 HydrophobicContact CB-CE1 4.48Å; Q166-Y182 HydrophobicContact CB-CE2 3.64Å; Q166-Y182 HydrophobicContact CB-CG 4.16Å
167A93.4Very high90.8Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-61.9-46.3172.300000111.5L163 S164 C165 S169 A170 V171 M183 F207L163-A167 PolarHBondContact O-N 2.78Å; S164-A167 PolarHBondContact O-N 3.34Å; C165-A167 VanDerWaalsContact C-N 3.33Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-S169 PolarHBondContact O-N 3.16Å; A167-A170 PolarHBondContact O-N 2.65Å; A167-V171 WeakPolarHBondContact O-CG2 3.38Å; A167-V171 PolarHBondContact O-N 2.96Å; A167-M183 HydrophobicContact CB-CE 4.14Å; A167-F207 HydrophobicContact CB-CE2 3.88Å; A167-F207 HydrophobicContact CB-CZ 4.03Å
168E93.7Very high91Very high26 Ų2639.1 Ų39.112%0.12120%0.197CC..Hα-helixtrans-60.8-41.8176.6-177.2176.5174.500112.4R109 L112 S164 C165 V171 S172 M203 F207R109-E168 IonicContact CZ-OE1 2.61Å; R109-E168 IonicContact CZ-OE2 2.53Å; R109-E168 IonicContact NH1-OE1 3.69Å; R109-E168 PolarHBondContact NH1-OE1 3.2Å; R109-E168 IonicContact NH1-OE2 2.89Å; R109-E168 PolarHBondContact NH1-OE2 2.9Å; R109-E168 IonicContact NH2-OE1 3.68Å; R109-E168 PolarHBondContact NH2-OE1 3.45Å; R109-E168 IonicContact NH2-OE2 2.93Å; L112-E168 HydrophobicContact CD1-CB 4.39Å; L112-E168 HydrophobicContact CD1-CG 4.44Å; S164-E168 PolarHBondContact O-N 3.23Å; C165-E168 PolarHBondContact O-N 3.23Å; E168-V171 PolarHBondContact O-N 3.43Å; E168-S172 WeakPolarHBondContact O-CB 3.43Å; E168-S172 PolarHBondContact O-N 3.31Å; E168-S172 PolarHBondContact O-OG 3.41Å; E168-M203 HydrophobicContact CB-CE 4.3Å; E168-M203 WeakPolarHBondContact OE2-CE 3.39Å; E168-F207 VanDerWaalsContact CA-CE1 3.47Å; E168-F207 VanDerWaalsContact CA-CZ 3.47Å; E168-F207 HydrophobicContact CB-CE1 3.55Å; E168-F207 HydrophobicContact CB-CZ 3.76Å; E168-F207 HydrophobicContact CG-CE1 3.89Å
169S93.7Very high91.2Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-59.9-48.1173.9-1660000111.6P117 D121 C165 Q166 A167 V171 S172 Q173P117-S169 VanDerWaalsContact CB-OG 3.28Å; P117-S169 WeakPolarHBondContact CB-OG 3.35Å; P117-S169 PolarHBondContact O-OG 3.28Å; D121-S169 VanDerWaalsContact OD1-CB 3.24Å; D121-S169 WeakPolarHBondContact OD1-CB 3.08Å; D121-S169 PolarHBondContact OD1-OG 2.93Å; C165-S169 WeakPolarHBondContact O-CB 3.49Å; C165-S169 PolarHBondContact O-N 3.21Å; Q166-S169 PolarHBondContact O-N 3.03Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-S169 PolarHBondContact O-N 3.16Å; S169-V171 PolarHBondContact O-N 2.98Å; S169-S172 PolarHBondContact O-N 2.95Å; S169-Q173 WeakPolarHBondContact O-CG 3.33Å; S169-Q173 PolarHBondContact O-N 3.38Å; S169-Q173 PolarHBondContact OG-NE2 3.06Å; S169-Q173 VanDerWaalsContact OG-NE2 3.07Å
170A92.4Very high91.3Very high2 Ų236.9 Ų36.92%0.01719%0.187CC..Hα-helixtrans-63.9-40.6179.300000112.2Q166 A167 Q173 G174 N175 E178 A179Q166-A170 WeakPolarHBondContact O-CB 3.45Å; Q166-A170 PolarHBondContact O-N 3.37Å; A167-A170 PolarHBondContact O-N 2.65Å; A170-Q173 PolarHBondContact O-N 2.92Å; A170-G174 PolarHBondContact O-N 3.17Å; A170-G174 VanDerWaalsContact O-N 3.1Å; A170-N175 HydrophobicContact CB-CB 4.22Å; A170-N175 PolarHBondContact O-N 3.03Å; A170-E178 HydrophobicContact CB-CB 4.29Å; A170-E178 HydrophobicContact CB-CG 4.41Å; A170-A179 HydrophobicContact CB-CB 3.8Å
171V91.1Very high91.4Very high12 Ų1241.3 Ų41.37%0.07321%0.213CC..Hα-helixtrans-61.8-47173.4172.20000110.9A167 E168 S169 Q173 G174 A179 F207 T211 W223A167-V171 WeakPolarHBondContact O-CG2 3.38Å; A167-V171 PolarHBondContact O-N 2.96Å; E168-V171 PolarHBondContact O-N 3.43Å; S169-V171 PolarHBondContact O-N 2.98Å; V171-Q173 PolarHBondContact O-N 3.07Å; V171-G174 PolarHBondContact O-N 3.5Å; V171-A179 HydrophobicContact CG2-CB 3.56Å; V171-F207 HydrophobicContact CB-CG 4.5Å; V171-F207 HydrophobicContact CG1-CB 4.32Å; V171-F207 HydrophobicContact CG1-CG 4.4Å; V171-F207 HydrophobicContact CG2-CB 4.37Å; V171-F207 HydrophobicContact CG2-CD1 4.39Å; V171-F207 HydrophobicContact CG2-CD2 3.81Å; V171-F207 HydrophobicContact CG2-CE2 4.12Å; V171-F207 HydrophobicContact CG2-CG 3.95Å; V171-T211 HydrophobicContact CG1-CG2 4.01Å; V171-W223 HydrophobicContact CG2-CH2 4.5Å; V171-W223 HydrophobicContact CG2-CZ2 3.7Å
172S89.5Confident91.5Very high66 Ų6639.5 Ų39.546%0.46221%0.207SC..Hα-helixtrans-60.5-30.7179.2-60.40000112.7E168 S169E168-S172 WeakPolarHBondContact O-CB 3.43Å; E168-S172 PolarHBondContact O-N 3.31Å; E168-S172 PolarHBondContact O-OG 3.41Å; S169-S172 PolarHBondContact O-N 2.95Å
173Q89.8Confident91.5Very high66 Ų6639.6 Ų39.631%0.30821%0.207SC..Hα-helixtrans-88.9-5.7177-67-178.672.100113.8P117 D121 S169 A170 V171P117-Q173 HydrophobicContact CB-CG 3.75Å; P117-Q173 HydrophobicContact CG-CG 3.52Å; D121-Q173 PolarHBondContact OD2-NE2 2.67Å; S169-Q173 WeakPolarHBondContact O-CG 3.33Å; S169-Q173 PolarHBondContact O-N 3.38Å; S169-Q173 PolarHBondContact OG-NE2 3.06Å; S169-Q173 VanDerWaalsContact OG-NE2 3.07Å; A170-Q173 PolarHBondContact O-N 2.92Å; V171-Q173 PolarHBondContact O-N 3.07Å
174G86.5Confident91.4Very high31 Ų3143.5 Ų43.532%0.3223%0.226SC..THydrogen-bonded Turntrans81.313.3-178.100000115.2A170 V171 S176A170-G174 PolarHBondContact O-N 3.17Å; A170-G174 VanDerWaalsContact O-N 3.1Å; V171-G174 PolarHBondContact O-N 3.5Å; G174-S176 VanDerWaalsContact C-N 3.34Å; G174-S176 PolarHBondContact O-N 2.62Å; G174-S176 VanDerWaalsContact O-N 3.15Å
175N89.6Confident91.4Very high75 Ų7549 Ų4940%0.40125%0.246SC..  trans-86.266.5177.7-67.3-18.8000111.4A170 R177 E178 A179A170-N175 HydrophobicContact CB-CB 4.22Å; A170-N175 PolarHBondContact O-N 3.03Å; N175-R177 VanDerWaalsContact C-N 3.26Å; N175-R177 PolarHBondContact O-N 3.3Å; N175-R177 VanDerWaalsContact O-N 3.16Å; N175-E178 HydrophobicContact CB-CB 4.2Å; N175-E178 PolarHBondContact O-N 3.41Å; N175-E178 VanDerWaalsContact O-N 3.12Å; N175-A179 PolarHBondContact O-N 2.96Å; N175-A179 VanDerWaalsContact O-N 3.09Å
176S86.2Confident91.3Very high33 Ų3348.5 Ų48.523%0.23124%0.243CC..Hα-helixtrans-56.8-35-173.5-56.50000114G174 T180 D219G174-S176 VanDerWaalsContact C-N 3.34Å; G174-S176 PolarHBondContact O-N 2.62Å; G174-S176 VanDerWaalsContact O-N 3.15Å; S176-T180 WeakPolarHBondContact O-CB 3.44Å; S176-T180 PolarHBondContact O-N 2.95Å; S176-T180 PolarHBondContact O-OG1 2.86Å; S176-D219 WeakPolarHBondContact CB-OD1 3.33Å; S176-D219 PolarHBondContact OG-OD1 2.97Å; S176-D219 PolarHBondContact OG-OD2 2.84Å
177R89.3Confident91.1Very high221 Ų22150.6 Ų50.683%0.83425%0.252SS*.Hα-helixtrans-65-44.4178.2-174.8179.6178.5-176.1-0112.2N175 T180 V181N175-R177 VanDerWaalsContact C-N 3.26Å; N175-R177 PolarHBondContact O-N 3.3Å; N175-R177 VanDerWaalsContact O-N 3.16Å; R177-T180 PolarHBondContact O-N 3.43Å; R177-V181 WeakPolarHBondContact O-CG2 3.4Å; R177-V181 PolarHBondContact O-N 3.33Å; R177-V181 VanDerWaalsContact O-N 3.15Å
178E90Very high91Very high84 Ų8454.7 Ų54.739%0.39327%0.274SS..Hα-helixtrans-71.2-42.6-178.2-172.6173.6-153.900110.9A170 N175 T180 V181 Y182A170-E178 HydrophobicContact CB-CB 4.29Å; A170-E178 HydrophobicContact CB-CG 4.41Å; N175-E178 HydrophobicContact CB-CB 4.2Å; N175-E178 PolarHBondContact O-N 3.41Å; N175-E178 VanDerWaalsContact O-N 3.12Å; E178-T180 VanDerWaalsContact C-N 3.28Å; E178-T180 PolarHBondContact O-N 2.64Å; E178-V181 PolarHBondContact O-N 3.21Å; E178-V181 VanDerWaalsContact O-N 3.16Å; E178-Y182 HydrophobicContact CG-CD2 4.09Å; E178-Y182 HydrophobicContact CG-CE2 3.48Å; E178-Y182 VanDerWaalsContact CG-CE2 3.48Å; E178-Y182 WeakPolarHBondContact O-CD2 3.48Å; E178-Y182 PolarHBondContact O-N 3.02Å; E178-Y182 PolarHBondContact OE1-OH 2.77Å
179A92.1Very high90.8Very high0 Ų053.7 Ų53.70%027%0.269CS..Hα-helixtrans-55.7-43.317200000112.2A170 V171 N175 V181 Y182 M183 W223A170-A179 HydrophobicContact CB-CB 3.8Å; V171-A179 HydrophobicContact CG2-CB 3.56Å; N175-A179 PolarHBondContact O-N 2.96Å; N175-A179 VanDerWaalsContact O-N 3.09Å; A179-V181 PolarHBondContact O-N 3.26Å; A179-Y182 PolarHBondContact O-N 3.48Å; A179-M183 WeakPolarHBondContact O-CB 3.37Å; A179-M183 PolarHBondContact O-N 3.48Å; A179-W223 HydrophobicContact CB-CH2 3.87Å; A179-W223 HydrophobicContact CB-CZ2 3.65Å
180T91.5Very high90.5Very high48 Ų4854.3 Ų54.329%0.29427%0.272SS..Hα-helixtrans-63.6-41.3178.4-59.30000111.7S176 R177 E178 M183 Q184 F222S176-T180 WeakPolarHBondContact O-CB 3.44Å; S176-T180 PolarHBondContact O-N 2.95Å; S176-T180 PolarHBondContact O-OG1 2.86Å; R177-T180 PolarHBondContact O-N 3.43Å; E178-T180 VanDerWaalsContact C-N 3.28Å; E178-T180 PolarHBondContact O-N 2.64Å; T180-M183 PolarHBondContact O-N 3.21Å; T180-Q184 WeakPolarHBondContact O-CB 3.43Å; T180-Q184 PolarHBondContact O-N 2.92Å; T180-F222 HydrophobicContact CG2-CE1 4.32Å; T180-F222 HydrophobicContact CG2-CZ 3.82Å
181V93.5Very high90.2Very high92 Ų9262.7 Ų62.756%0.55831%0.311SS*.Hα-helixtrans-62.7-45.9177170.90000111.1R177 E178 A179 R185R177-V181 WeakPolarHBondContact O-CG2 3.4Å; R177-V181 PolarHBondContact O-N 3.33Å; R177-V181 VanDerWaalsContact O-N 3.15Å; E178-V181 PolarHBondContact O-N 3.21Å; E178-V181 VanDerWaalsContact O-N 3.16Å; A179-V181 PolarHBondContact O-N 3.26Å; V181-R185 PolarHBondContact O-N 2.96Å; V181-R185 VanDerWaalsContact O-N 3.11Å
182Y93.1Very high89.9Confident46 Ų4669.1 Ų69.118%0.1833%0.334CS..Hα-helixtrans-63.3-44176.8-66.7-42.4000112.1L163 Q166 E178 A179 R185 C186L163-Y182 HydrophobicContact CD2-CD1 3.82Å; L163-Y182 HydrophobicContact CD2-CE1 4.36Å; Q166-Y182 HydrophobicContact CB-CD2 3.72Å; Q166-Y182 HydrophobicContact CB-CE1 4.48Å; Q166-Y182 HydrophobicContact CB-CE2 3.64Å; Q166-Y182 HydrophobicContact CB-CG 4.16Å; E178-Y182 HydrophobicContact CG-CD2 4.09Å; E178-Y182 HydrophobicContact CG-CE2 3.48Å; E178-Y182 VanDerWaalsContact CG-CE2 3.48Å; E178-Y182 WeakPolarHBondContact O-CD2 3.48Å; E178-Y182 PolarHBondContact O-N 3.02Å; E178-Y182 PolarHBondContact OE1-OH 2.77Å; A179-Y182 PolarHBondContact O-N 3.48Å; Y182-R185 PolarHBondContact O-N 3.33Å; Y182-C186 PolarHBondContact O-N 3.23Å; Y182-C186 PolarHBondContact O-SG 2.94Å; Y182-C186 VanDerWaalsContact O-SG 3.38Å
183M92.4Very high89.8Confident6 Ų666.9 Ų66.93%0.0332%0.317CS..Hα-helixtrans-67.1-39.8-179.8-169.456.867.300112.4A167 A179 T180 R185 C186 K187 L200 M203 F207 W223A167-M183 HydrophobicContact CB-CE 4.14Å; A179-M183 WeakPolarHBondContact O-CB 3.37Å; A179-M183 PolarHBondContact O-N 3.48Å; T180-M183 PolarHBondContact O-N 3.21Å; M183-R185 VanDerWaalsContact C-N 3.31Å; M183-R185 PolarHBondContact O-N 3.17Å; M183-C186 WeakPolarHBondContact O-CB 3.44Å; M183-C186 PolarHBondContact O-N 2.76Å; M183-C186 HydrophobicContact SD-CB 4.38Å; M183-K187 PolarHBondContact O-N 3.31Å; M183-L200 HydrophobicContact CE-CD1 4.13Å; M183-L200 HydrophobicContact SD-CD1 3.31Å; M183-L200 WeakPolarHBondContact SD-CD1 3.08Å; M183-L200 HydrophobicContact SD-CD2 4.08Å; M183-L200 HydrophobicContact SD-CG 3.65Å; M183-M203 HydrophobicContact CE-CB 4.41Å; M183-F207 HydrophobicContact CE-CD2 4.11Å; M183-F207 HydrophobicContact CE-CE2 3.35Å; M183-F207 HydrophobicContact CE-CZ 4.09Å; M183-W223 HydrophobicContact CB-CH2 4.21Å; M183-W223 HydrophobicContact CB-CZ3 3.88Å; M183-W223 HydrophobicContact CG-CZ3 3.92Å
184Q91.5Very high89.5Confident83 Ų8366 Ų6639%0.38832%0.317SS..Hα-helixtrans-61.8-41.6175.3-174.858.643.300111.1T180 C186 K187 D188T180-Q184 WeakPolarHBondContact O-CB 3.43Å; T180-Q184 PolarHBondContact O-N 2.92Å; Q184-C186 VanDerWaalsContact C-N 3.33Å; Q184-C186 PolarHBondContact O-N 3.25Å; Q184-K187 WeakPolarHBondContact O-CB 3.38Å; Q184-K187 PolarHBondContact O-N 3.09Å; Q184-K187 VanDerWaalsContact O-N 3.14Å; Q184-D188 PolarHBondContact NE2-OD1 3.28Å; Q184-D188 VanDerWaalsContact O-CG 3.26Å; Q184-D188 PolarHBondContact O-N 3.26Å
185R91.8Very high89.6Confident115 Ų11572.1 Ų72.143%0.43434%0.335SS..Hα-helixtrans-60.7-41.7174.4-172174.8178.8-179.50.4111.8L163 V181 Y182 M183 D188 M189L163-R185 HydrophobicContact CD1-CB 4.38Å; L163-R185 HydrophobicContact CD1-CG 3.84Å; V181-R185 PolarHBondContact O-N 2.96Å; V181-R185 VanDerWaalsContact O-N 3.11Å; Y182-R185 PolarHBondContact O-N 3.33Å; M183-R185 VanDerWaalsContact C-N 3.31Å; M183-R185 PolarHBondContact O-N 3.17Å; R185-D188 PolarHBondContact O-N 3.44Å; R185-M189 VanDerWaalsContact O-CG 3.25Å; R185-M189 WeakPolarHBondContact O-CG 3.25Å; R185-M189 PolarHBondContact O-N 2.91Å
186C91.9Very high89.6Confident0 Ų069.3 Ų69.30%032%0.32CS..Hα-helixtrans-62.6-41.1173.4-67.70000112.3L160 L163 Y182 M183 Q184 M189 L190 L200L160-C186 HydrophobicContact CD1-CB 4.44Å; L160-C186 HydrophobicContact CG-CB 4.35Å; L163-C186 WeakPolarHBondContact CB-SG 3.36Å; Y182-C186 PolarHBondContact O-N 3.23Å; Y182-C186 PolarHBondContact O-SG 2.94Å; Y182-C186 VanDerWaalsContact O-SG 3.38Å; M183-C186 WeakPolarHBondContact O-CB 3.44Å; M183-C186 PolarHBondContact O-N 2.76Å; M183-C186 HydrophobicContact SD-CB 4.38Å; Q184-C186 VanDerWaalsContact C-N 3.33Å; Q184-C186 PolarHBondContact O-N 3.25Å; C186-M189 WeakPolarHBondContact O-CB 3.41Å; C186-M189 PolarHBondContact O-N 2.78Å; C186-L190 PolarHBondContact O-N 3.25Å; C186-L200 HydrophobicContact CB-CD1 3.61Å; C186-L200 HydrophobicContact CB-CD2 3.78Å; C186-L200 HydrophobicContact CB-CG 4.37Å
187K90.6Very high89.7Confident56 Ų5667.9 Ų67.924%0.24331%0.309CS..Hα-helixtrans-61.8-43.5178-172.4176.9-175173.40111.7M183 Q184 M189 L190 L200 Q226 I230M183-K187 PolarHBondContact O-N 3.31Å; Q184-K187 WeakPolarHBondContact O-CB 3.38Å; Q184-K187 PolarHBondContact O-N 3.09Å; Q184-K187 VanDerWaalsContact O-N 3.14Å; K187-M189 PolarHBondContact O-N 2.98Å; K187-L190 WeakPolarHBondContact O-CB 3.47Å; K187-L190 PolarHBondContact O-N 3.43Å; K187-L190 VanDerWaalsContact O-N 3.13Å; K187-L200 HydrophobicContact CB-CD2 4.42Å; K187-Q226 VanDerWaalsContact NZ-OE1 3.09Å; K187-I230 HydrophobicContact CD-CD1 4.45Å; K187-I230 HydrophobicContact CD-CG1 4.15Å; K187-I230 HydrophobicContact CG-CG1 4.27Å
188D90.3Very high89.8Confident86 Ų8659.1 Ų59.146%0.4628%0.284SS..Hα-helixtrans-63.9-31.2176.8-61.6-19.4000111.8Q184 R185 L190Q184-D188 PolarHBondContact NE2-OD1 3.28Å; Q184-D188 VanDerWaalsContact O-CG 3.26Å; Q184-D188 PolarHBondContact O-N 3.26Å; R185-D188 PolarHBondContact O-N 3.44Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 2.81Å
189M89.5Confident89.9Confident5 Ų557.2 Ų57.23%0.02527%0.274CS..Hα-helixtrans-70.2-25.9176.1-67.1169.26900112.9E156 L159 L160 L163 R185 C186 K187 Q191 R192 I193E156-M189 HydrophobicContact CB-CE 4.21Å; E156-M189 WeakPolarHBondContact O-CE 3.33Å; L159-M189 HydrophobicContact CB-CE 4.04Å; L159-M189 HydrophobicContact CD2-CE 4Å; L159-M189 HydrophobicContact CD2-SD 4.34Å; L159-M189 HydrophobicContact CG-CE 4.05Å; L159-M189 HydrophobicContact CG-SD 4.45Å; L160-M189 HydrophobicContact CB-CE 3.97Å; L160-M189 HydrophobicContact CD1-CB 4.46Å; L163-M189 HydrophobicContact CD1-SD 3.94Å; R185-M189 VanDerWaalsContact O-CG 3.25Å; R185-M189 WeakPolarHBondContact O-CG 3.25Å; R185-M189 PolarHBondContact O-N 2.91Å; C186-M189 WeakPolarHBondContact O-CB 3.41Å; C186-M189 PolarHBondContact O-N 2.78Å; K187-M189 PolarHBondContact O-N 2.98Å; M189-Q191 PolarHBondContact O-N 2.88Å; M189-Q191 VanDerWaalsContact O-N 3.09Å; M189-R192 PolarHBondContact O-N 3.32Å; M189-I193 HydrophobicContact CB-CD1 4.16Å; M189-I193 HydrophobicContact CB-CG1 4.23Å; M189-I193 HydrophobicContact CE-CD1 4.26Å; M189-I193 WeakPolarHBondContact O-CG1 3.49Å; M189-I193 PolarHBondContact O-N 3.26Å
190L88.3Confident89.9Confident14 Ų1457.2 Ų57.27%0.07327%0.274CS..THydrogen-bonded Turntrans-60.4-23-179.2-67.8-178.2000113.8L160 C186 K187 D188 R192 I193 P194 D196 T197 L200 I230L160-L190 HydrophobicContact CD1-CD2 4.07Å; C186-L190 PolarHBondContact O-N 3.25Å; K187-L190 WeakPolarHBondContact O-CB 3.47Å; K187-L190 PolarHBondContact O-N 3.43Å; K187-L190 VanDerWaalsContact O-N 3.13Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 2.81Å; L190-R192 PolarHBondContact O-N 3.22Å; L190-I193 CarbonylContact O-C 3.53Å; L190-I193 PolarHBondContact O-N 3.47Å; L190-P194 VanDerWaalsContact O-CA 3.25Å; L190-P194 WeakPolarHBondContact O-CA 3.38Å; L190-P194 VanDerWaalsContact O-N 3.1Å; L190-D196 HydrophobicContact CD2-CB 4.32Å; L190-T197 HydrophobicContact CD1-CG2 4.41Å; L190-L200 HydrophobicContact CD1-CB 4.38Å; L190-L200 HydrophobicContact CD1-CD2 3.64Å; L190-L200 HydrophobicContact CD2-CD2 4.36Å; L190-L200 HydrophobicContact CG-CD2 3.98Å; L190-I230 HydrophobicContact CD1-CG2 3.72Å
191Q85.4Confident90.1Very high177 Ų17755 Ų5583%0.82726%0.26SS*.THydrogen-bonded Turntrans-60.5-31.7172.5-64.9-174.9-0.700112.3M189M189-Q191 PolarHBondContact O-N 2.88Å; M189-Q191 VanDerWaalsContact O-N 3.09Å
192R85.8Confident90.1Very high147 Ų14754.8 Ų54.856%0.55526%0.256SS*.THydrogen-bonded Turntrans-94.1-34177.8-69.5175.9-80.3168.9-6.6112.5E156 M189 L190 P194E156-R192 IonicContact OE1-CZ 2.99Å; E156-R192 IonicContact OE1-NE 3.8Å; E156-R192 IonicContact OE1-NH1 2.86Å; E156-R192 PolarHBondContact OE1-NH1 3.15Å; E156-R192 WeakPolarHBondContact OE2-CB 3.28Å; E156-R192 IonicContact OE2-NE 3.11Å; E156-R192 IonicContact OE2-NH1 3.38Å; M189-R192 PolarHBondContact O-N 3.32Å; L190-R192 PolarHBondContact O-N 3.22Å; R192-P194 VanDerWaalsContact C-CD 3.4Å; R192-P194 WeakPolarHBondContact O-CD 3.18Å
193I86.6Confident90.1Very high20 Ų2053.1 Ų53.110%0.10325%0.25CC..  trans-121.766.1-17946.3173000112.4L160 M189 L190 K195 D196L160-I193 HydrophobicContact CB-CD1 3.82Å; L160-I193 HydrophobicContact CD1-CD1 3.45Å; L160-I193 VanDerWaalsContact CD1-CD1 3.45Å; L160-I193 HydrophobicContact CD1-CG1 4.23Å; L160-I193 HydrophobicContact CG-CD1 4.22Å; M189-I193 HydrophobicContact CB-CD1 4.16Å; M189-I193 HydrophobicContact CB-CG1 4.23Å; M189-I193 HydrophobicContact CE-CD1 4.26Å; M189-I193 WeakPolarHBondContact O-CG1 3.49Å; M189-I193 PolarHBondContact O-N 3.26Å; L190-I193 CarbonylContact O-C 3.53Å; L190-I193 PolarHBondContact O-N 3.47Å; I193-K195 PolarHBondContact O-N 3.43Å; I193-K195 VanDerWaalsContact O-N 3.14Å; I193-D196 PolarHBondContact O-N 3.11Å
194P84.9Confident90.2Very high47 Ų4752.9 Ų52.931%0.30525%0.248SC..G310 helixtrans-66.7-20.8-172.926.4-36000113.7L190 R192 D196 T197 Y237L190-P194 VanDerWaalsContact O-CA 3.25Å; L190-P194 WeakPolarHBondContact O-CA 3.38Å; L190-P194 VanDerWaalsContact O-N 3.1Å; R192-P194 VanDerWaalsContact C-CD 3.4Å; R192-P194 WeakPolarHBondContact O-CD 3.18Å; P194-D196 PolarHBondContact O-N 3.46Å; P194-T197 WeakPolarHBondContact O-CB 3.34Å; P194-T197 PolarHBondContact O-N 3.25Å; P194-T197 VanDerWaalsContact O-N 3.17Å; P194-T197 PolarHBondContact O-OG1 3.31Å; P194-Y237 HydrophobicContact CB-CD2 3.89Å; P194-Y237 HydrophobicContact CB-CE2 4.3Å; P194-Y237 HydrophobicContact CG-CD2 4.34Å; P194-Y237 HydrophobicContact CG-CE2 4.27Å; P194-Y237 WeakPolarHBondContact O-CB 3.46Å
195K87.2Confident90.3Very high160 Ų16051.7 Ų51.770%0.69624%0.24SC*.G310 helixtrans-62.7-22179.3-68.1-178.8-178.9176.30113.8I193 Y237I193-K195 PolarHBondContact O-N 3.43Å; I193-K195 VanDerWaalsContact O-N 3.14Å; K195-Y237 HydrophobicContact CB-CD1 4.39Å; K195-Y237 HydrophobicContact CG-CD1 3.93Å; K195-Y237 HydrophobicContact CG-CE1 3.74Å
196D89.1Confident90.5Very high16 Ų1649.2 Ų49.29%0.08624%0.236CC..G310 helixtrans-92.38.3179.9-74.8-61.5000113L160 R161 L190 I193 P194 A198 Y199 L200L160-D196 HydrophobicContact CD1-CB 4.4Å; L160-D196 HydrophobicContact CD2-CB 4.29Å; R161-D196 IonicContact CZ-OD1 3.83Å; R161-D196 IonicContact NE-OD1 3.59Å; R161-D196 IonicContact NH2-OD1 2.67Å; R161-D196 PolarHBondContact NH2-OD1 2.91Å; L190-D196 HydrophobicContact CD2-CB 4.32Å; I193-D196 PolarHBondContact O-N 3.11Å; P194-D196 PolarHBondContact O-N 3.46Å; D196-A198 PolarHBondContact O-N 3.22Å; D196-Y199 WeakPolarHBondContact O-CB 3.44Å; D196-Y199 PolarHBondContact O-N 2.94Å; D196-Y199 VanDerWaalsContact O-N 3.15Å; D196-L200 PolarHBondContact O-N 2.88Å
197T90.3Very high90.6Very high2 Ų249.3 Ų49.31%0.01224%0.237CC..Hα-helixtrans-57.3-48.7179.4-57.60000112.2L190 P194 Y199 L200 S201 I230L190-T197 HydrophobicContact CD1-CG2 4.41Å; P194-T197 WeakPolarHBondContact O-CB 3.34Å; P194-T197 PolarHBondContact O-N 3.25Å; P194-T197 VanDerWaalsContact O-N 3.17Å; P194-T197 PolarHBondContact O-OG1 3.31Å; T197-Y199 VanDerWaalsContact C-N 3.3Å; T197-Y199 PolarHBondContact O-N 3.12Å; T197-L200 PolarHBondContact O-N 3.11Å; T197-S201 WeakPolarHBondContact O-CB 3.4Å; T197-S201 PolarHBondContact O-N 3.38Å; T197-I230 HydrophobicContact CG2-CG2 4.05Å; T197-I230 VanDerWaalsContact CG2-O 3.26Å; T197-I230 WeakPolarHBondContact CG2-O 3.47Å
198A90.6Very high90.8Very high37 Ų3746.7 Ų46.731%0.30623%0.225SC..Hα-helixtrans-61.4-36.8176.600000112.9D196 L202 Y237D196-A198 PolarHBondContact O-N 3.22Å; A198-L202 WeakPolarHBondContact O-CB 3.36Å; A198-L202 PolarHBondContact O-N 3.04Å; A198-Y237 WeakPolarHBondContact CB-O 3.39Å; A198-Y237 PolarHBondContact N-O 2.91Å; A198-Y237 VanDerWaalsContact N-O 3.08Å
199Y92.1Very high91Very high45 Ų4544.3 Ų44.318%0.17621%0.214CC..Hα-helixtrans-65.1-46.4175.7168.6-105.1000111.2L160 R161 S164 D196 T197 L202 M203L160-Y199 HydrophobicContact CD2-CD1 3.89Å; L160-Y199 HydrophobicContact CD2-CE1 3.88Å; R161-Y199 VanDerWaalsContact NH1-CG 3.35Å; S164-Y199 PolarHBondContact OG-OH 3.31Å; D196-Y199 WeakPolarHBondContact O-CB 3.44Å; D196-Y199 PolarHBondContact O-N 2.94Å; D196-Y199 VanDerWaalsContact O-N 3.15Å; T197-Y199 VanDerWaalsContact C-N 3.3Å; T197-Y199 PolarHBondContact O-N 3.12Å; Y199-L202 PolarHBondContact O-N 3.49Å; Y199-M203 HydrophobicContact CD1-CG 4.43Å; Y199-M203 HydrophobicContact CD2-CG 4.27Å; Y199-M203 HydrophobicContact CE1-CG 3.96Å; Y199-M203 HydrophobicContact CE2-CG 3.79Å; Y199-M203 HydrophobicContact CE2-SD 3.79Å; Y199-M203 WeakPolarHBondContact O-CG 3.44Å; Y199-M203 PolarHBondContact O-N 3.19Å
200L92.8Very high91.1Very high0 Ų047.6 Ų47.60%023%0.231CC..Hα-helixtrans-67.9-38.3-178-162.167.5000112.4M183 C186 K187 L190 D196 T197 M203 C204 I230M183-L200 HydrophobicContact CE-CD1 4.13Å; M183-L200 HydrophobicContact SD-CD1 3.31Å; M183-L200 WeakPolarHBondContact SD-CD1 3.08Å; M183-L200 HydrophobicContact SD-CD2 4.08Å; M183-L200 HydrophobicContact SD-CG 3.65Å; C186-L200 HydrophobicContact CB-CD1 3.61Å; C186-L200 HydrophobicContact CB-CD2 3.78Å; C186-L200 HydrophobicContact CB-CG 4.37Å; K187-L200 HydrophobicContact CB-CD2 4.42Å; L190-L200 HydrophobicContact CD1-CB 4.38Å; L190-L200 HydrophobicContact CD1-CD2 3.64Å; L190-L200 HydrophobicContact CD2-CD2 4.36Å; L190-L200 HydrophobicContact CG-CD2 3.98Å; D196-L200 PolarHBondContact O-N 2.88Å; T197-L200 PolarHBondContact O-N 3.11Å; L200-M203 PolarHBondContact O-N 2.91Å; L200-C204 PolarHBondContact O-N 3.39Å; L200-C204 VanDerWaalsContact O-N 3.11Å; L200-C204 PolarHBondContact O-SG 2.9Å; L200-C204 VanDerWaalsContact O-SG 3.35Å; L200-I230 HydrophobicContact CB-CG2 4.23Å; L200-I230 HydrophobicContact CD2-CD1 4.04Å; L200-I230 HydrophobicContact CD2-CG2 4.41Å; L200-I230 HydrophobicContact CG-CD1 4.21Å
201S93.8Very high91.3Very high1 Ų147.1 Ų47.11%0.00723%0.229CC..Hα-helixtrans-57.7-52.2170.51690000110.5T197 M203 C204 Y205 S227T197-S201 WeakPolarHBondContact O-CB 3.4Å; T197-S201 PolarHBondContact O-N 3.38Å; S201-M203 VanDerWaalsContact C-N 3.29Å; S201-M203 PolarHBondContact O-N 3.19Å; S201-C204 WeakPolarHBondContact O-CB 2.97Å; S201-C204 PolarHBondContact O-N 3.13Å; S201-Y205 PolarHBondContact O-N 2.92Å; S201-S227 PolarHBondContact O-OG 3.13Å; S201-S227 PolarHBondContact OG-O 2.84Å; S201-S227 VanDerWaalsContact OG-O 3.07Å; S201-S227 PolarHBondContact OG-OG 3.01Å; S201-S227 VanDerWaalsContact OG-OG 3.13Å
202L93.6Very high91.7Very high88 Ų8841.1 Ų41.146%0.46120%0.199SC..Hα-helixtrans-57.6-39177.4-179.563.3000113.3A198 Y199 Y205 N206A198-L202 WeakPolarHBondContact O-CB 3.36Å; A198-L202 PolarHBondContact O-N 3.04Å; Y199-L202 PolarHBondContact O-N 3.49Å; L202-Y205 HydrophobicContact CD1-CD1 4.42Å; L202-Y205 PolarHBondContact O-N 3.28Å; L202-N206 VanDerWaalsContact O-CG 3.29Å; L202-N206 PolarHBondContact O-N 3.23Å; L202-N206 PolarHBondContact O-ND2 3.33Å
203M93Very high92Very high11 Ų1139.3 Ų39.35%0.05420%0.2CC..Hα-helixtrans-61.2-45.4175.4-71.2-56.9-60.400111.7E168 M183 Y199 L200 S201 N206 F207E168-M203 HydrophobicContact CB-CE 4.3Å; E168-M203 WeakPolarHBondContact OE2-CE 3.39Å; M183-M203 HydrophobicContact CE-CB 4.41Å; Y199-M203 HydrophobicContact CD1-CG 4.43Å; Y199-M203 HydrophobicContact CD2-CG 4.27Å; Y199-M203 HydrophobicContact CE1-CG 3.96Å; Y199-M203 HydrophobicContact CE2-CG 3.79Å; Y199-M203 HydrophobicContact CE2-SD 3.79Å; Y199-M203 WeakPolarHBondContact O-CG 3.44Å; Y199-M203 PolarHBondContact O-N 3.19Å; L200-M203 PolarHBondContact O-N 2.91Å; S201-M203 VanDerWaalsContact C-N 3.29Å; S201-M203 PolarHBondContact O-N 3.19Å; M203-N206 PolarHBondContact O-N 2.99Å; M203-F207 HydrophobicContact CE-CE1 3.81Å; M203-F207 HydrophobicContact CE-CZ 3.92Å; M203-F207 VanDerWaalsContact O-CD1 3.28Å; M203-F207 WeakPolarHBondContact O-CD1 3.43Å; M203-F207 VanDerWaalsContact O-CG 3.26Å; M203-F207 WeakPolarHBondContact O-CG 3.46Å; M203-F207 PolarHBondContact O-N 3.08Å
204C94.6Very high92.2Very high0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-64.7-39.4175.8-64.20000111.8L200 S201 N206 F207 G208 Q226L200-C204 PolarHBondContact O-N 3.39Å; L200-C204 VanDerWaalsContact O-N 3.11Å; L200-C204 PolarHBondContact O-SG 2.9Å; L200-C204 VanDerWaalsContact O-SG 3.35Å; S201-C204 WeakPolarHBondContact O-CB 2.97Å; S201-C204 PolarHBondContact O-N 3.13Å; C204-N206 PolarHBondContact O-N 3.01Å; C204-F207 PolarHBondContact O-N 3.35Å; C204-G208 PolarHBondContact O-N 2.94Å; C204-Q226 HydrophobicContact CB-CB 4.45Å
205Y95.2Very high92.5Very high58 Ų5851.2 Ų51.223%0.22725%0.246CC..Hα-helixtrans-58.6-47.5173.9175.9-97.2000111.5S201 L202 F207 G208 V209 L224 D247 L250S201-Y205 PolarHBondContact O-N 2.92Å; L202-Y205 HydrophobicContact CD1-CD1 4.42Å; L202-Y205 PolarHBondContact O-N 3.28Å; Y205-F207 VanDerWaalsContact C-N 3.33Å; Y205-F207 PolarHBondContact O-N 2.97Å; Y205-G208 CarbonylContact O-C 3.53Å; Y205-G208 WeakPolarHBondContact O-CA 3.28Å; Y205-G208 PolarHBondContact O-N 3.48Å; Y205-V209 HydrophobicContact CD1-CG2 4.04Å; Y205-V209 HydrophobicContact CE1-CG2 3.56Å; Y205-V209 HydrophobicContact CE2-CG2 4.31Å; Y205-V209 WeakPolarHBondContact O-CG2 3.4Å; Y205-V209 PolarHBondContact O-N 3.15Å; Y205-L224 HydrophobicContact CD2-CD2 3.7Å; Y205-L224 HydrophobicContact CE2-CD2 4.12Å; Y205-D247 HydrophobicContact CD2-CB 4.17Å; Y205-D247 VanDerWaalsContact CD2-CG 3.44Å; Y205-D247 WeakPolarHBondContact CD2-OD1 3.4Å; Y205-D247 VanDerWaalsContact CE2-OD1 3.31Å; Y205-D247 WeakPolarHBondContact CE2-OD1 3.47Å; Y205-L250 HydrophobicContact CE2-CB 4.49Å; Y205-L250 HydrophobicContact CE2-CD2 3.74Å
206N94.3Very high92.7Very high64 Ų6447.4 Ų47.434%0.34223%0.229SC..Hα-helixtrans-60.9-41.4177.5-69.8-19.2000111.7L202 M203 C204 G208 V209 D210L202-N206 VanDerWaalsContact O-CG 3.29Å; L202-N206 PolarHBondContact O-N 3.23Å; L202-N206 PolarHBondContact O-ND2 3.33Å; M203-N206 PolarHBondContact O-N 2.99Å; C204-N206 PolarHBondContact O-N 3.01Å; N206-G208 VanDerWaalsContact C-N 3.27Å; N206-G208 PolarHBondContact O-N 3Å; N206-V209 PolarHBondContact O-N 2.87Å; N206-V209 VanDerWaalsContact O-N 3.16Å; N206-D210 PolarHBondContact O-N 3.22Å
207F94.5Very high92.9Very high2 Ų248.6 Ų48.61%0.00923%0.234CC..Hα-helixtrans-60.6-39.7173.4-61-11.5000111.6A167 E168 V171 M183 M203 C204 Y205 D210 T211 W223A167-F207 HydrophobicContact CB-CE2 3.88Å; A167-F207 HydrophobicContact CB-CZ 4.03Å; E168-F207 VanDerWaalsContact CA-CE1 3.47Å; E168-F207 VanDerWaalsContact CA-CZ 3.47Å; E168-F207 HydrophobicContact CB-CE1 3.55Å; E168-F207 HydrophobicContact CB-CZ 3.76Å; E168-F207 HydrophobicContact CG-CE1 3.89Å; V171-F207 HydrophobicContact CB-CG 4.5Å; V171-F207 HydrophobicContact CG1-CB 4.32Å; V171-F207 HydrophobicContact CG1-CG 4.4Å; V171-F207 HydrophobicContact CG2-CB 4.37Å; V171-F207 HydrophobicContact CG2-CD1 4.39Å; V171-F207 HydrophobicContact CG2-CD2 3.81Å; V171-F207 HydrophobicContact CG2-CE2 4.12Å; V171-F207 HydrophobicContact CG2-CG 3.95Å; M183-F207 HydrophobicContact CE-CD2 4.11Å; M183-F207 HydrophobicContact CE-CE2 3.35Å; M183-F207 HydrophobicContact CE-CZ 4.09Å; M203-F207 HydrophobicContact CE-CE1 3.81Å; M203-F207 HydrophobicContact CE-CZ 3.92Å; M203-F207 VanDerWaalsContact O-CD1 3.28Å; M203-F207 WeakPolarHBondContact O-CD1 3.43Å; M203-F207 VanDerWaalsContact O-CG 3.26Å; M203-F207 WeakPolarHBondContact O-CG 3.46Å; M203-F207 PolarHBondContact O-N 3.08Å; C204-F207 PolarHBondContact O-N 3.35Å; Y205-F207 VanDerWaalsContact C-N 3.33Å; Y205-F207 PolarHBondContact O-N 2.97Å; F207-D210 PolarHBondContact O-N 3.28Å; F207-T211 WeakPolarHBondContact O-CB 3.16Å; F207-T211 WeakPolarHBondContact O-CG2 3.33Å; F207-T211 PolarHBondContact O-N 3.43Å; F207-T211 PolarHBondContact O-OG1 2.92Å; F207-W223 HydrophobicContact CB-CB 3.99Å; F207-W223 HydrophobicContact CB-CD2 3.91Å; F207-W223 HydrophobicContact CB-CE3 4.48Å; F207-W223 HydrophobicContact CB-CG 3.65Å; F207-W223 AromaticContact CD2-CD2 3.97Å; F207-W223 HydrophobicContact CD2-CD2 3.97Å; F207-W223 AromaticContact CD2-CE3 3.87Å; F207-W223 HydrophobicContact CD2-CE3 3.87Å; F207-W223 HydrophobicContact CD2-CH2 4.32Å; F207-W223 HydrophobicContact CD2-CZ2 4.4Å; F207-W223 HydrophobicContact CD2-CZ3 4.06Å; F207-W223 HydrophobicContact CG-CD2 4.47Å
208G94.8Very high93Very high0 Ų055 Ų550%026%0.264CS..Hα-helixtrans-59.3-44.6172.800000113.1C204 Y205 N206 T211 Y212 S220C204-G208 PolarHBondContact O-N 2.94Å; Y205-G208 CarbonylContact O-C 3.53Å; Y205-G208 WeakPolarHBondContact O-CA 3.28Å; Y205-G208 PolarHBondContact O-N 3.48Å; N206-G208 VanDerWaalsContact C-N 3.27Å; N206-G208 PolarHBondContact O-N 3Å; G208-T211 PolarHBondContact O-OG1 3.12Å; G208-T211 VanDerWaalsContact O-OG1 3.12Å; G208-Y212 WeakPolarHBondContact O-CB 3.42Å; G208-Y212 PolarHBondContact O-N 2.69Å; G208-S220 PolarHBondContact O-OG 3.19Å
209V94.5Very high93.1Very high37 Ų3755.1 Ų55.122%0.22426%0.259CS..Hα-helixtrans-65.9-46.7176.4172.60000111.4Y205 N206 T211 Y212 N213 L250Y205-V209 HydrophobicContact CD1-CG2 4.04Å; Y205-V209 HydrophobicContact CE1-CG2 3.56Å; Y205-V209 HydrophobicContact CE2-CG2 4.31Å; Y205-V209 WeakPolarHBondContact O-CG2 3.4Å; Y205-V209 PolarHBondContact O-N 3.15Å; N206-V209 PolarHBondContact O-N 2.87Å; N206-V209 VanDerWaalsContact O-N 3.16Å; V209-T211 PolarHBondContact O-N 3.37Å; V209-Y212 WeakPolarHBondContact O-CB 3.38Å; V209-Y212 PolarHBondContact O-N 3.26Å; V209-N213 WeakPolarHBondContact O-CB 3.47Å; V209-N213 VanDerWaalsContact O-CG 3.26Å; V209-N213 PolarHBondContact O-N 3.34Å; V209-N213 PolarHBondContact O-ND2 3.47Å; V209-L250 HydrophobicContact CG2-CD2 3.61Å
210D91.5Very high93.2Very high73 Ų7353 Ų5339%0.3925%0.251SS..Hα-helixtrans-63.1-45.2-179.1-72.1-24.3000111.4N206 F207 N213 L214N206-D210 PolarHBondContact O-N 3.22Å; F207-D210 PolarHBondContact O-N 3.28Å; D210-N213 PolarHBondContact O-N 3.47Å; D210-L214 WeakPolarHBondContact O-CG 3.46Å; D210-L214 PolarHBondContact O-N 3.47Å; D210-L214 VanDerWaalsContact O-N 3.12Å
211T92.6Very high93.3Very high4 Ų453.5 Ų53.53%0.02525%0.254CS..Hα-helixtrans-69-34.4176.851.10000112.5V171 F207 G208 V209 L214 R215 K216 D219 S220V171-T211 HydrophobicContact CG1-CG2 4.01Å; F207-T211 WeakPolarHBondContact O-CB 3.16Å; F207-T211 WeakPolarHBondContact O-CG2 3.33Å; F207-T211 PolarHBondContact O-N 3.43Å; F207-T211 PolarHBondContact O-OG1 2.92Å; G208-T211 PolarHBondContact O-OG1 3.12Å; G208-T211 VanDerWaalsContact O-OG1 3.12Å; V209-T211 PolarHBondContact O-N 3.37Å; T211-L214 CarbonylContact O-C 3.53Å; T211-L214 PolarHBondContact O-N 3.47Å; T211-R215 PolarHBondContact O-N 3.02Å; T211-K216 PolarHBondContact O-N 3.48Å; T211-D219 HydrophobicContact CG2-CB 3.86Å; T211-S220 WeakPolarHBondContact OG1-CA 3.37Å; T211-S220 WeakPolarHBondContact OG1-CB 3.33Å; T211-S220 PolarHBondContact OG1-N 2.95Å
212Y93.9Very high93.4Very high52 Ų5257.1 Ų57.120%0.20427%0.269CS..Hα-helixtrans-61.7-47.2171.3173.5-110.2000111.8G208 V209 L214 R215 F217 S220 L250 V254 E257G208-Y212 WeakPolarHBondContact O-CB 3.42Å; G208-Y212 PolarHBondContact O-N 2.69Å; V209-Y212 WeakPolarHBondContact O-CB 3.38Å; V209-Y212 PolarHBondContact O-N 3.26Å; Y212-L214 PolarHBondContact O-N 3.06Å; Y212-R215 WeakPolarHBondContact O-CA 3.44Å; Y212-R215 PolarHBondContact O-N 3.3Å; Y212-F217 HydrophobicContact CD2-CD1 4.29Å; Y212-F217 HydrophobicContact CD2-CE1 4.15Å; Y212-F217 HydrophobicContact CE2-CE1 4.11Å; Y212-S220 WeakPolarHBondContact CB-OG 3.21Å; Y212-L250 HydrophobicContact CD1-CD1 4.31Å; Y212-L250 HydrophobicContact CE1-CD1 4.41Å; Y212-V254 HydrophobicContact CD2-CB 4.39Å; Y212-V254 HydrophobicContact CD2-CG1 4.4Å; Y212-V254 HydrophobicContact CD2-CG2 3.53Å; Y212-V254 HydrophobicContact CE2-CG2 4.06Å; Y212-V254 HydrophobicContact CG-CG2 4.14Å; Y212-E257 VanDerWaalsContact CE2-OE2 3.25Å; Y212-E257 WeakPolarHBondContact CE2-OE2 3.47Å; Y212-E257 VanDerWaalsContact CZ-OE2 3.31Å; Y212-E257 VanDerWaalsContact OH-CD 3.26Å; Y212-E257 PolarHBondContact OH-OE1 3.28Å; Y212-E257 PolarHBondContact OH-OE2 3.2Å
213N92.6Very high93.5Very high109 Ų10953 Ų5358%0.58325%0.248SC*.Hα-helixtrans-60.7-31177-71.7-31.7000112.2V209 D210 R215V209-N213 WeakPolarHBondContact O-CB 3.47Å; V209-N213 VanDerWaalsContact O-CG 3.26Å; V209-N213 PolarHBondContact O-N 3.34Å; V209-N213 PolarHBondContact O-ND2 3.47Å; D210-N213 PolarHBondContact O-N 3.47Å; N213-R215 VanDerWaalsContact C-N 3.27Å; N213-R215 PolarHBondContact O-N 2.91Å
214L90.5Very high93.6Very high114 Ų11452.4 Ų52.460%0.59725%0.245SC*.THydrogen-bonded Turntrans-834.4173.3-65174.3000113.9D210 T211 Y212 K216D210-L214 WeakPolarHBondContact O-CG 3.46Å; D210-L214 PolarHBondContact O-N 3.47Å; D210-L214 VanDerWaalsContact O-N 3.12Å; T211-L214 CarbonylContact O-C 3.53Å; T211-L214 PolarHBondContact O-N 3.47Å; Y212-L214 PolarHBondContact O-N 3.06Å; L214-K216 HydrophobicContact CB-CG 4.32Å; L214-K216 PolarHBondContact O-N 3.45Å
215R91Very high93.6Very high202 Ų20254 Ų5476%0.76226%0.256SS*.THydrogen-bonded Turntrans57.123.6-174.9-57.9-174.7175.2-166.9-2.1114.5T211 Y212 N213 F217T211-R215 PolarHBondContact O-N 3.02Å; Y212-R215 WeakPolarHBondContact O-CA 3.44Å; Y212-R215 PolarHBondContact O-N 3.3Å; N213-R215 VanDerWaalsContact C-N 3.27Å; N213-R215 PolarHBondContact O-N 2.91Å; R215-F217 VanDerWaalsContact C-N 3.29Å; R215-F217 HydrophobicContact CB-CE2 4.4Å; R215-F217 HydrophobicContact CB-CZ 4.23Å; R215-F217 HydrophobicContact CG-CZ 4.45Å; R215-F217 PolarHBondContact O-N 2.91Å; R215-F217 VanDerWaalsContact O-N 3.13Å
216K92.5Very high93.5Very high81 Ų8152.7 Ų52.735%0.35225%0.252SS..  trans-85.873.3171.8-65.5-175.1178.3-175.90109.3T211 L214 E218 D219 S220T211-K216 PolarHBondContact O-N 3.48Å; L214-K216 HydrophobicContact CB-CG 4.32Å; L214-K216 PolarHBondContact O-N 3.45Å; K216-E218 VanDerWaalsContact C-N 3.32Å; K216-E218 PolarHBondContact O-N 2.95Å; K216-D219 HydrophobicContact CB-CB 4.26Å; K216-D219 PolarHBondContact O-N 3.21Å; K216-S220 WeakPolarHBondContact O-CB 3.19Å; K216-S220 PolarHBondContact O-N 3.28Å
217F92.9Very high93.5Very high40 Ų4049.6 Ų49.618%0.17524%0.236CC..Hα-helixtrans-62-36.6-171.5-58.9-58000113.5Y212 R215 S220 T221 V254 E257 W258Y212-F217 HydrophobicContact CD2-CD1 4.29Å; Y212-F217 HydrophobicContact CD2-CE1 4.15Å; Y212-F217 HydrophobicContact CE2-CE1 4.11Å; R215-F217 VanDerWaalsContact C-N 3.29Å; R215-F217 HydrophobicContact CB-CE2 4.4Å; R215-F217 HydrophobicContact CB-CZ 4.23Å; R215-F217 HydrophobicContact CG-CZ 4.45Å; R215-F217 PolarHBondContact O-N 2.91Å; R215-F217 VanDerWaalsContact O-N 3.13Å; F217-S220 PolarHBondContact O-N 3.27Å; F217-T221 WeakPolarHBondContact O-CG2 3.36Å; F217-T221 PolarHBondContact O-N 3.49Å; F217-T221 PolarHBondContact O-OG1 2.91Å; F217-V254 HydrophobicContact CB-CG1 4.18Å; F217-V254 HydrophobicContact CD1-CG1 3.95Å; F217-E257 HydrophobicContact CE1-CB 4.25Å; F217-E257 HydrophobicContact CZ-CB 4.41Å; F217-W258 HydrophobicContact CB-CB 3.59Å; F217-W258 HydrophobicContact CB-CD2 3.42Å; F217-W258 VanDerWaalsContact CB-CD2 3.42Å; F217-W258 HydrophobicContact CB-CE3 3.81Å; F217-W258 HydrophobicContact CB-CG 3.31Å; F217-W258 HydrophobicContact CD1-CB 4.41Å; F217-W258 HydrophobicContact CD2-CB 3.92Å; F217-W258 AromaticContact CD2-CD1 3.73Å; F217-W258 AromaticContact CD2-CG 3.88Å; F217-W258 HydrophobicContact CD2-CG 3.88Å; F217-W258 HydrophobicContact CG-CB 3.73Å; F217-W258 HydrophobicContact CG-CD2 4.44Å; F217-W258 AromaticContact CG-CG 3.83Å; F217-W258 HydrophobicContact CG-CG 3.83Å
218E92.6Very high93.4Very high138 Ų13850.1 Ų50.165%0.64524%0.238SC*.Hα-helixtrans-60.1-54.6176.1-174.2167.4-163.900112.2K216 S220 T221 F222 W258K216-E218 VanDerWaalsContact C-N 3.32Å; K216-E218 PolarHBondContact O-N 2.95Å; E218-S220 VanDerWaalsContact C-N 3.27Å; E218-S220 PolarHBondContact O-N 3.42Å; E218-T221 PolarHBondContact O-N 2.94Å; E218-T221 PolarHBondContact O-OG1 3.36Å; E218-F222 PolarHBondContact O-N 2.87Å; E218-F222 VanDerWaalsContact O-N 3.08Å; E218-W258 HydrophobicContact CB-CH2 3.38Å; E218-W258 HydrophobicContact CB-CZ2 3.62Å; E218-W258 HydrophobicContact CB-CZ3 4.15Å; E218-W258 HydrophobicContact CG-CH2 3.71Å; E218-W258 HydrophobicContact CG-CZ2 4.24Å
219D91.9Very high93.3Very high38 Ų3853.7 Ų53.720%0.20326%0.256CS..Hα-helixtrans-59.5-40.3176.6-67.6-47.6000111.1S176 T211 K216 F222 W223S176-D219 WeakPolarHBondContact CB-OD1 3.33Å; S176-D219 PolarHBondContact OG-OD1 2.97Å; S176-D219 PolarHBondContact OG-OD2 2.84Å; T211-D219 HydrophobicContact CG2-CB 3.86Å; K216-D219 HydrophobicContact CB-CB 4.26Å; K216-D219 PolarHBondContact O-N 3.21Å; D219-F222 WeakPolarHBondContact O-CB 3.43Å; D219-F222 PolarHBondContact O-N 3.33Å; D219-W223 PolarHBondContact O-N 3.38Å
220S94.9Very high93.1Very high0 Ų051.9 Ų51.90%025%0.246CC..Hα-helixtrans-63.6-47.9179.8-177.20000112.6G208 T211 Y212 K216 F217 E218 F222 W223 L224G208-S220 PolarHBondContact O-OG 3.19Å; T211-S220 WeakPolarHBondContact OG1-CA 3.37Å; T211-S220 WeakPolarHBondContact OG1-CB 3.33Å; T211-S220 PolarHBondContact OG1-N 2.95Å; Y212-S220 WeakPolarHBondContact CB-OG 3.21Å; K216-S220 WeakPolarHBondContact O-CB 3.19Å; K216-S220 PolarHBondContact O-N 3.28Å; F217-S220 PolarHBondContact O-N 3.27Å; E218-S220 VanDerWaalsContact C-N 3.27Å; E218-S220 PolarHBondContact O-N 3.42Å; S220-F222 VanDerWaalsContact C-N 3.26Å; S220-F222 PolarHBondContact O-N 2.86Å; S220-W223 PolarHBondContact O-N 3.46Å; S220-L224 WeakPolarHBondContact O-CB 3.47Å; S220-L224 VanDerWaalsContact O-CG 3.26Å; S220-L224 WeakPolarHBondContact O-CG 3.39Å; S220-L224 PolarHBondContact O-N 3.24Å
221T94.8Very high93Very high11 Ų1148.5 Ų48.57%0.06723%0.228CC..Hα-helixtrans-61.6-37.3176.359.20000111.8F217 E218 S225 L251 V254 Y255 W258F217-T221 WeakPolarHBondContact O-CG2 3.36Å; F217-T221 PolarHBondContact O-N 3.49Å; F217-T221 PolarHBondContact O-OG1 2.91Å; E218-T221 PolarHBondContact O-N 2.94Å; E218-T221 PolarHBondContact O-OG1 3.36Å; T221-S225 VanDerWaalsContact O-CB 3.27Å; T221-S225 WeakPolarHBondContact O-CB 3.37Å; T221-S225 PolarHBondContact O-N 3.47Å; T221-S225 PolarHBondContact O-OG 3.48Å; T221-L251 HydrophobicContact CG2-CD1 4.03Å; T221-V254 HydrophobicContact CG2-CB 4.2Å; T221-V254 HydrophobicContact CG2-CG1 3.55Å; T221-Y255 HydrophobicContact CG2-CD1 3.75Å; T221-Y255 HydrophobicContact CG2-CE1 3.51Å; T221-Y255 HydrophobicContact CG2-CE2 4.49Å; T221-Y255 HydrophobicContact CG2-CG 4.32Å; T221-W258 HydrophobicContact CG2-CE3 3.85Å; T221-W258 HydrophobicContact CG2-CZ3 3.95Å; T221-W258 WeakPolarHBondContact OG1-CZ3 3.19Å
222F94.6Very high92.9Very high77 Ų7754.3 Ų54.334%0.33825%0.253SS..Hα-helixtrans-61.9-52.5175.1174.4-96.7000111.6T180 E218 D219 S220 S225 Q226T180-F222 HydrophobicContact CG2-CE1 4.32Å; T180-F222 HydrophobicContact CG2-CZ 3.82Å; E218-F222 PolarHBondContact O-N 2.87Å; E218-F222 VanDerWaalsContact O-N 3.08Å; D219-F222 WeakPolarHBondContact O-CB 3.43Å; D219-F222 PolarHBondContact O-N 3.33Å; S220-F222 VanDerWaalsContact C-N 3.26Å; S220-F222 PolarHBondContact O-N 2.86Å; F222-S225 PolarHBondContact O-N 3.49Å; F222-Q226 HydrophobicContact CD1-CG 4.48Å; F222-Q226 HydrophobicContact CE1-CG 4.04Å; F222-Q226 HydrophobicContact CE2-CG 4.27Å; F222-Q226 HydrophobicContact CZ-CG 3.92Å; F222-Q226 WeakPolarHBondContact O-CG 3.26Å; F222-Q226 PolarHBondContact O-N 3.5Å
223W95.9Very high92.5Very high1 Ų156.5 Ų56.50%0.00427%0.272CS..Hα-helixtrans-66.7-40.1-177.4-70.3123.3000113.2V171 A179 M183 F207 D219 S220 S225 Q226 S227V171-W223 HydrophobicContact CG2-CH2 4.5Å; V171-W223 HydrophobicContact CG2-CZ2 3.7Å; A179-W223 HydrophobicContact CB-CH2 3.87Å; A179-W223 HydrophobicContact CB-CZ2 3.65Å; M183-W223 HydrophobicContact CB-CH2 4.21Å; M183-W223 HydrophobicContact CB-CZ3 3.88Å; M183-W223 HydrophobicContact CG-CZ3 3.92Å; F207-W223 HydrophobicContact CB-CB 3.99Å; F207-W223 HydrophobicContact CB-CD2 3.91Å; F207-W223 HydrophobicContact CB-CE3 4.48Å; F207-W223 HydrophobicContact CB-CG 3.65Å; F207-W223 AromaticContact CD2-CD2 3.97Å; F207-W223 HydrophobicContact CD2-CD2 3.97Å; F207-W223 AromaticContact CD2-CE3 3.87Å; F207-W223 HydrophobicContact CD2-CE3 3.87Å; F207-W223 HydrophobicContact CD2-CH2 4.32Å; F207-W223 HydrophobicContact CD2-CZ2 4.4Å; F207-W223 HydrophobicContact CD2-CZ3 4.06Å; F207-W223 HydrophobicContact CG-CD2 4.47Å; D219-W223 PolarHBondContact O-N 3.38Å; S220-W223 PolarHBondContact O-N 3.46Å; W223-S225 VanDerWaalsContact C-N 3.35Å; W223-Q226 PolarHBondContact O-N 2.91Å; W223-S227 PolarHBondContact O-N 2.95Å
224L95.6Very high92Very high0 Ų052.5 Ų52.50%025%0.253CS..Hα-helixtrans-65.8-38.2175.3-67.6170.7000111.8Y205 S220 S227 Y228 L250 L251 V254Y205-L224 HydrophobicContact CD2-CD2 3.7Å; Y205-L224 HydrophobicContact CE2-CD2 4.12Å; S220-L224 WeakPolarHBondContact O-CB 3.47Å; S220-L224 VanDerWaalsContact O-CG 3.26Å; S220-L224 WeakPolarHBondContact O-CG 3.39Å; S220-L224 PolarHBondContact O-N 3.24Å; L224-S227 WeakPolarHBondContact O-CB 3.49Å; L224-S227 PolarHBondContact O-N 2.99Å; L224-Y228 PolarHBondContact O-N 3.17Å; L224-Y228 VanDerWaalsContact O-N 3.07Å; L224-L250 HydrophobicContact CD1-CB 4.36Å; L224-L250 HydrophobicContact CD1-CD2 4.08Å; L224-L250 HydrophobicContact CD1-CG 3.77Å; L224-L250 HydrophobicContact CD2-CD2 3.79Å; L224-L250 HydrophobicContact CD2-CG 4.27Å; L224-L251 HydrophobicContact CB-CB 4.17Å; L224-L251 HydrophobicContact CB-CD1 4.01Å; L224-L251 HydrophobicContact CD1-CB 4.28Å; L224-L251 HydrophobicContact CD1-CD1 4.47Å; L224-V254 HydrophobicContact CD1-CG2 3.75Å
225S94Very high91.4Very high32 Ų3252.6 Ų52.622%0.22427%0.269CS..Hα-helixtrans-64.1-43.3173.2-57.10000111.2T221 F222 W223 S227 Y228 D229T221-S225 VanDerWaalsContact O-CB 3.27Å; T221-S225 WeakPolarHBondContact O-CB 3.37Å; T221-S225 PolarHBondContact O-N 3.47Å; T221-S225 PolarHBondContact O-OG 3.48Å; F222-S225 PolarHBondContact O-N 3.49Å; W223-S225 VanDerWaalsContact C-N 3.35Å; S225-S227 VanDerWaalsContact C-N 3.32Å; S225-S227 PolarHBondContact O-N 3.44Å; S225-Y228 PolarHBondContact O-N 2.78Å; S225-D229 WeakPolarHBondContact O-CB 3.41Å; S225-D229 VanDerWaalsContact O-CG 3.26Å; S225-D229 PolarHBondContact O-N 2.89Å
226Q93.6Very high91.1Very high31 Ų3150.7 Ų50.715%0.14527%0.267CS..Hα-helixtrans-62.5-38.2174.2-70.8-49.4-59.200112.4K187 C204 F222 W223 D229 I230K187-Q226 VanDerWaalsContact NZ-OE1 3.09Å; C204-Q226 HydrophobicContact CB-CB 4.45Å; F222-Q226 HydrophobicContact CD1-CG 4.48Å; F222-Q226 HydrophobicContact CE1-CG 4.04Å; F222-Q226 HydrophobicContact CE2-CG 4.27Å; F222-Q226 HydrophobicContact CZ-CG 3.92Å; F222-Q226 WeakPolarHBondContact O-CG 3.26Å; F222-Q226 PolarHBondContact O-N 3.5Å; W223-Q226 PolarHBondContact O-N 2.91Å; Q226-D229 PolarHBondContact O-N 3.21Å; Q226-I230 WeakPolarHBondContact O-CB 3.43Å; Q226-I230 WeakPolarHBondContact O-CD1 3.45Å; Q226-I230 WeakPolarHBondContact O-CG1 3.47Å; Q226-I230 PolarHBondContact O-N 2.97Å
227S94.3Very high90.8Very high0 Ų050.4 Ų50.40%026%0.264CS..Hα-helixtrans-58-52175.2-175.40000111.5S201 W223 L224 S225 I230 G231 D247S201-S227 PolarHBondContact O-OG 3.13Å; S201-S227 PolarHBondContact OG-O 2.84Å; S201-S227 VanDerWaalsContact OG-O 3.07Å; S201-S227 PolarHBondContact OG-OG 3.01Å; S201-S227 VanDerWaalsContact OG-OG 3.13Å; W223-S227 PolarHBondContact O-N 2.95Å; L224-S227 WeakPolarHBondContact O-CB 3.49Å; L224-S227 PolarHBondContact O-N 2.99Å; S225-S227 VanDerWaalsContact C-N 3.32Å; S225-S227 PolarHBondContact O-N 3.44Å; S227-I230 PolarHBondContact O-N 3.44Å; S227-G231 PolarHBondContact O-N 2.78Å; S227-D247 WeakPolarHBondContact CB-OD2 3.35Å; S227-D247 PolarHBondContact OG-OD2 3.07Å
228Y93.1Very high90.5Very high13 Ų1349.3 Ų49.35%0.05126%0.264CS..Hα-helixtrans-63.7-46.1-179.8178.3-101.9000111.6L224 S225 I230 G231 K232 L244 L248 L273 E277L224-Y228 PolarHBondContact O-N 3.17Å; L224-Y228 VanDerWaalsContact O-N 3.07Å; S225-Y228 PolarHBondContact O-N 2.78Å; Y228-I230 PolarHBondContact O-N 2.71Å; Y228-G231 PolarHBondContact O-N 3.28Å; Y228-K232 HydrophobicContact CE1-CD 3.97Å; Y228-K232 VanDerWaalsContact O-CB 3.28Å; Y228-K232 WeakPolarHBondContact O-CB 3.35Å; Y228-K232 PolarHBondContact O-N 3.41Å; Y228-L244 HydrophobicContact CD2-CB 4.15Å; Y228-L244 HydrophobicContact CD2-CD2 3.93Å; Y228-L244 HydrophobicContact CE2-CB 4.13Å; Y228-L244 HydrophobicContact CE2-CD2 4.38Å; Y228-L248 HydrophobicContact CD1-CD2 4.12Å; Y228-L248 HydrophobicContact CD2-CD1 3.83Å; Y228-L248 HydrophobicContact CD2-CD2 3.85Å; Y228-L248 HydrophobicContact CD2-CG 3.64Å; Y228-L248 HydrophobicContact CE1-CD2 4.36Å; Y228-L248 HydrophobicContact CE2-CD1 3.45Å; Y228-L248 VanDerWaalsContact CE2-CD1 3.45Å; Y228-L248 HydrophobicContact CE2-CD2 4.14Å; Y228-L248 HydrophobicContact CE2-CG 3.85Å; Y228-L248 HydrophobicContact CG-CD2 3.86Å; Y228-L248 HydrophobicContact CG-CG 4.16Å; Y228-L273 HydrophobicContact CE1-CD2 3.9Å; Y228-E277 PolarHBondContact OH-OE1 3.05Å
229D91.9Very high90.3Very high74 Ų7444 Ų4440%0.39624%0.241SC..Hα-helixtrans-59.9-45.7179.4-75-17.4000111.9S225 Q226 T233S225-D229 WeakPolarHBondContact O-CB 3.41Å; S225-D229 VanDerWaalsContact O-CG 3.26Å; S225-D229 PolarHBondContact O-N 2.89Å; Q226-D229 PolarHBondContact O-N 3.21Å; D229-T233 WeakPolarHBondContact O-CG2 3.48Å; D229-T233 PolarHBondContact O-N 3.47Å
230I91.2Very high90.1Very high0 Ų043.5 Ų43.50%025%0.246CC..Hα-helixtrans-65.1-48.4177.2-69.2166.1000109.8K187 L190 T197 L200 Q226 S227 Y228 K232 T233K187-I230 HydrophobicContact CD-CD1 4.45Å; K187-I230 HydrophobicContact CD-CG1 4.15Å; K187-I230 HydrophobicContact CG-CG1 4.27Å; L190-I230 HydrophobicContact CD1-CG2 3.72Å; T197-I230 HydrophobicContact CG2-CG2 4.05Å; T197-I230 VanDerWaalsContact CG2-O 3.26Å; T197-I230 WeakPolarHBondContact CG2-O 3.47Å; L200-I230 HydrophobicContact CB-CG2 4.23Å; L200-I230 HydrophobicContact CD2-CD1 4.04Å; L200-I230 HydrophobicContact CD2-CG2 4.41Å; L200-I230 HydrophobicContact CG-CD1 4.21Å; Q226-I230 WeakPolarHBondContact O-CB 3.43Å; Q226-I230 WeakPolarHBondContact O-CD1 3.45Å; Q226-I230 WeakPolarHBondContact O-CG1 3.47Å; Q226-I230 PolarHBondContact O-N 2.97Å; S227-I230 PolarHBondContact O-N 3.44Å; Y228-I230 PolarHBondContact O-N 2.71Å; I230-K232 VanDerWaalsContact C-N 3.27Å; I230-K232 PolarHBondContact O-N 3.48Å; I230-T233 PolarHBondContact O-N 3.35Å; I230-T233 VanDerWaalsContact O-N 3.13Å; I230-T233 PolarHBondContact O-OG1 2.89Å
231G88.9Confident89.8Confident2 Ų247.1 Ų47.12%0.02127%0.269CS..Hα-helixtrans-60.5-37.2-178.200000112.9S227 Y228 T233S227-G231 PolarHBondContact O-N 2.78Å; Y228-G231 PolarHBondContact O-N 3.28Å; G231-T233 VanDerWaalsContact C-N 3.34Å; G231-T233 PolarHBondContact O-N 3.46Å
232K89.4Confident89.4Confident126 Ų12650.1 Ų50.155%0.54829%0.285SS..Hα-helixtrans-71.1-23.3177.8-175.7176.4-1781710114.1Y228 I230 S234Y228-K232 HydrophobicContact CE1-CD 3.97Å; Y228-K232 VanDerWaalsContact O-CB 3.28Å; Y228-K232 WeakPolarHBondContact O-CB 3.35Å; Y228-K232 PolarHBondContact O-N 3.41Å; I230-K232 VanDerWaalsContact C-N 3.27Å; I230-K232 PolarHBondContact O-N 3.48Å; K232-S234 PolarHBondContact O-N 2.95Å; K232-S234 VanDerWaalsContact O-N 3.15Å
233T86.8Confident89.2Confident97 Ų9748.8 Ų48.860%0.59528%0.283SS*.THydrogen-bonded Turntrans-62.7-23-174.961.40000114.3D229 I230 G231D229-T233 WeakPolarHBondContact O-CG2 3.48Å; D229-T233 PolarHBondContact O-N 3.47Å; I230-T233 PolarHBondContact O-N 3.35Å; I230-T233 VanDerWaalsContact O-N 3.13Å; I230-T233 PolarHBondContact O-OG1 2.89Å; G231-T233 VanDerWaalsContact C-N 3.34Å; G231-T233 PolarHBondContact O-N 3.46Å
234S81.4Confident89Confident26 Ų2649.4 Ų49.418%0.18229%0.286CS..  trans-140.1107.2178.7-170.60000112.2K232 K236 Y237 G238K232-S234 PolarHBondContact O-N 2.95Å; K232-S234 VanDerWaalsContact O-N 3.15Å; S234-K236 PolarHBondContact O-N 3.46Å; S234-K236 VanDerWaalsContact O-N 3.16Å; S234-Y237 PolarHBondContact O-N 2.84Å; S234-Y237 PolarHBondContact OG-N 3.28Å; S234-G238 VanDerWaalsContact O-CA 3.29Å; S234-G238 WeakPolarHBondContact O-CA 3.38Å; S234-G238 PolarHBondContact O-N 3.46Å
235A78.4Confident88.8Confident115 Ų11549.4 Ų49.495%0.9529%0.286SS*.THydrogen-bonded Turntrans-63.1-21.1175.500000113.8
236K85.1Confident88.8Confident162 Ų16253.1 Ų53.170%0.70430%0.298SS*.THydrogen-bonded Turntrans-88.9-34-178.1-174.6177179.1-173.90113.4S234S234-K236 PolarHBondContact O-N 3.46Å; S234-K236 VanDerWaalsContact O-N 3.16Å
237Y86.1Confident88.8Confident75 Ų7551.8 Ų51.829%0.29429%0.292SS..THydrogen-bonded Turntrans-121.5-5-172.4-58.6-69.4000113.8P194 K195 A198 S234P194-Y237 HydrophobicContact CB-CD2 3.89Å; P194-Y237 HydrophobicContact CB-CE2 4.3Å; P194-Y237 HydrophobicContact CG-CD2 4.34Å; P194-Y237 HydrophobicContact CG-CE2 4.27Å; P194-Y237 WeakPolarHBondContact O-CB 3.46Å; K195-Y237 HydrophobicContact CB-CD1 4.39Å; K195-Y237 HydrophobicContact CG-CD1 3.93Å; K195-Y237 HydrophobicContact CG-CE1 3.74Å; A198-Y237 WeakPolarHBondContact CB-O 3.39Å; A198-Y237 PolarHBondContact N-O 2.91Å; A198-Y237 VanDerWaalsContact N-O 3.08Å; S234-Y237 PolarHBondContact O-N 2.84Å; S234-Y237 PolarHBondContact OG-N 3.28Å
238G86.6Confident88.8Confident18 Ų1852 Ų5219%0.18629%0.293CS..SBendtrans-77.4174171.400000112.6S234S234-G238 VanDerWaalsContact O-CA 3.29Å; S234-G238 WeakPolarHBondContact O-CA 3.38Å; S234-G238 PolarHBondContact O-N 3.46Å
239P88.1Confident88.9Confident25 Ų2552.8 Ų52.816%0.16230%0.296CS..  trans-69.6158.6176.133.4-35.2000111.2V243 L244P239-V243 HydrophobicContact CB-CB 3.97Å; P239-V243 HydrophobicContact CB-CG1 3.87Å; P239-L244 HydrophobicContact CG-CD2 3.63Å; P239-L244 HydrophobicContact CG-CG 3.98Å
240G88Confident89.1Confident29 Ų2950.6 Ų50.630%0.29928%0.284SS..  trans-63.8159.8177.100000113D242 V243 L244G240-D242 PolarHBondContact O-N 3.26Å; G240-V243 PolarHBondContact O-N 3.34Å; G240-L244 PolarHBondContact O-N 2.89Å; G240-L244 VanDerWaalsContact O-N 3.08Å
241P87.8Confident89.3Confident75 Ų7551.1 Ų51.149%0.48729%0.287SS..Hα-helixtrans-60.7-2718023.6-32.6000112.9A245P241-A245 VanDerWaalsContact O-CB 3.28Å; P241-A245 WeakPolarHBondContact O-CB 3.37Å; P241-A245 PolarHBondContact O-N 3.41Å
242D87.5Confident89.6Confident74 Ų7451 Ų5140%0.39629%0.286SS..Hα-helixtrans-65.8-38.2174.668.1-54.7000112.7G240 K246G240-D242 PolarHBondContact O-N 3.26Å; D242-K246 WeakPolarHBondContact O-CG 3.14Å; D242-K246 PolarHBondContact O-N 3.05Å
243V89.8Confident89.8Confident49 Ų4946.1 Ų46.130%0.29727%0.267SS..Hα-helixtrans-74-45.8176.7178.70000109.9P239 G240 A245 K246 D247P239-V243 HydrophobicContact CB-CB 3.97Å; P239-V243 HydrophobicContact CB-CG1 3.87Å; G240-V243 PolarHBondContact O-N 3.34Å; V243-A245 VanDerWaalsContact C-N 3.27Å; V243-A245 PolarHBondContact O-N 3.47Å; V243-K246 WeakPolarHBondContact O-CA 3.36Å; V243-K246 WeakPolarHBondContact O-CB 3.31Å; V243-K246 PolarHBondContact O-N 3.05Å; V243-D247 PolarHBondContact O-N 3.48Å
244L91.3Very high90.2Very high14 Ų1441.5 Ų41.57%0.07324%0.239CC..Hα-helixtrans-58.3-39.3175.2-67.8175.6000112.2Y228 P239 G240 K246 D247 L248Y228-L244 HydrophobicContact CD2-CB 4.15Å; Y228-L244 HydrophobicContact CD2-CD2 3.93Å; Y228-L244 HydrophobicContact CE2-CB 4.13Å; Y228-L244 HydrophobicContact CE2-CD2 4.38Å; P239-L244 HydrophobicContact CG-CD2 3.63Å; P239-L244 HydrophobicContact CG-CG 3.98Å; G240-L244 PolarHBondContact O-N 2.89Å; G240-L244 VanDerWaalsContact O-N 3.08Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-D247 PolarHBondContact O-N 2.94Å; L244-L248 WeakPolarHBondContact O-CG 3.23Å; L244-L248 PolarHBondContact O-N 3.06Å
245A92.3Very high90.9Very high0 Ų041.4 Ų41.40%023%0.234CC..Hα-helixtrans-66.4-33.8174.400000112.6P241 V243 R249 A274 E277 C278P241-A245 VanDerWaalsContact O-CB 3.28Å; P241-A245 WeakPolarHBondContact O-CB 3.37Å; P241-A245 PolarHBondContact O-N 3.41Å; V243-A245 VanDerWaalsContact C-N 3.27Å; V243-A245 PolarHBondContact O-N 3.47Å; A245-R249 WeakPolarHBondContact O-CB 3.18Å; A245-R249 VanDerWaalsContact O-CG 3.24Å; A245-R249 WeakPolarHBondContact O-CG 3.39Å; A245-R249 PolarHBondContact O-N 3.3Å; A245-A274 HydrophobicContact CB-CB 4.47Å; A245-A274 WeakPolarHBondContact CB-O 3.1Å; A245-E277 HydrophobicContact CB-CB 4.16Å; A245-C278 HydrophobicContact CB-CB 3.71Å
246K92.9Very high91.5Very high110 Ų11036.5 Ų36.548%0.47819%0.192SC..Hα-helixtrans-65.4-44.5173.4-74.3168.6-177.81680111.3D242 V243 L244 L248 R249 L250D242-K246 WeakPolarHBondContact O-CG 3.14Å; D242-K246 PolarHBondContact O-N 3.05Å; V243-K246 WeakPolarHBondContact O-CA 3.36Å; V243-K246 WeakPolarHBondContact O-CB 3.31Å; V243-K246 PolarHBondContact O-N 3.05Å; L244-K246 VanDerWaalsContact C-N 3.34Å; K246-L248 VanDerWaalsContact C-N 3.33Å; K246-L248 PolarHBondContact O-N 2.96Å; K246-R249 PolarHBondContact O-N 3.48Å; K246-L250 PolarHBondContact O-N 3.34Å
247D93.6Very high91.9Very high4 Ų432.4 Ų32.42%0.02118%0.176CC..Hα-helixtrans-56-49.2175.6-68.615.9000110.8Y205 S227 V243 L244 R249 L250 L251Y205-D247 HydrophobicContact CD2-CB 4.17Å; Y205-D247 VanDerWaalsContact CD2-CG 3.44Å; Y205-D247 WeakPolarHBondContact CD2-OD1 3.4Å; Y205-D247 VanDerWaalsContact CE2-OD1 3.31Å; Y205-D247 WeakPolarHBondContact CE2-OD1 3.47Å; S227-D247 WeakPolarHBondContact CB-OD2 3.35Å; S227-D247 PolarHBondContact OG-OD2 3.07Å; V243-D247 PolarHBondContact O-N 3.48Å; L244-D247 PolarHBondContact O-N 2.94Å; D247-R249 PolarHBondContact O-N 3.12Å; D247-L250 PolarHBondContact O-N 2.79Å; D247-L251 WeakPolarHBondContact O-CB 3.38Å; D247-L251 PolarHBondContact O-N 2.84Å
248L94.7Very high92.2Very high4 Ų432.6 Ų32.62%0.02118%0.176CC..Hα-helixtrans-65.5-36.6179-71.8173000113.3Y228 L244 K246 L251 A252 L273 A274 E277Y228-L248 HydrophobicContact CD1-CD2 4.12Å; Y228-L248 HydrophobicContact CD2-CD1 3.83Å; Y228-L248 HydrophobicContact CD2-CD2 3.85Å; Y228-L248 HydrophobicContact CD2-CG 3.64Å; Y228-L248 HydrophobicContact CE1-CD2 4.36Å; Y228-L248 HydrophobicContact CE2-CD1 3.45Å; Y228-L248 VanDerWaalsContact CE2-CD1 3.45Å; Y228-L248 HydrophobicContact CE2-CD2 4.14Å; Y228-L248 HydrophobicContact CE2-CG 3.85Å; Y228-L248 HydrophobicContact CG-CD2 3.86Å; Y228-L248 HydrophobicContact CG-CG 4.16Å; L244-L248 WeakPolarHBondContact O-CG 3.23Å; L244-L248 PolarHBondContact O-N 3.06Å; K246-L248 VanDerWaalsContact C-N 3.33Å; K246-L248 PolarHBondContact O-N 2.96Å; L248-L251 HydrophobicContact CD2-CD2 4.37Å; L248-L251 PolarHBondContact O-N 3.02Å; L248-A252 WeakPolarHBondContact O-CB 3.47Å; L248-A252 PolarHBondContact O-N 2.68Å; L248-L273 HydrophobicContact CD1-CB 3.99Å; L248-L273 HydrophobicContact CD1-CD2 3.89Å; L248-L273 HydrophobicContact CD1-CG 3.63Å; L248-L273 HydrophobicContact CD2-CD2 4.09Å; L248-A274 HydrophobicContact CB-CB 3.61Å; L248-A274 HydrophobicContact CD1-CB 4.3Å; L248-E277 HydrophobicContact CD1-CG 4.19Å
249R95.1Very high92.2Very high29 Ų2934.8 Ų34.811%0.10918%0.183CC..Hα-helixtrans-67-40.3174.9-73.3175.2-153.6125.8-2.4111.8A245 K246 D247 A252 T253 A274 C278 S280 L286A245-R249 WeakPolarHBondContact O-CB 3.18Å; A245-R249 VanDerWaalsContact O-CG 3.24Å; A245-R249 WeakPolarHBondContact O-CG 3.39Å; A245-R249 PolarHBondContact O-N 3.3Å; K246-R249 PolarHBondContact O-N 3.48Å; D247-R249 PolarHBondContact O-N 3.12Å; R249-A252 PolarHBondContact O-N 3.13Å; R249-T253 PolarHBondContact O-N 3.29Å; R249-T253 PolarHBondContact O-OG1 3.13Å; R249-A274 HydrophobicContact CG-CB 3.77Å; R249-C278 PolarHBondContact NH2-O 2.94Å; R249-S280 PolarHBondContact NE-OG 3.29Å; R249-S280 VanDerWaalsContact NE-OG 3.12Å; R249-S280 PolarHBondContact NH2-OG 3.19Å; R249-S280 VanDerWaalsContact NH2-OG 3.1Å; R249-L286 HydrophobicContact CB-CD2 4.22Å; R249-L286 WeakPolarHBondContact O-CD2 3.42Å
250L95.4Very high92Very high28 Ų2834.5 Ų34.515%0.14718%0.182CC..Hα-helixtrans-64.3-45.6173.6-178.957.7000109.9Y205 V209 Y212 L224 K246 D247 A252 T253 V254Y205-L250 HydrophobicContact CE2-CB 4.49Å; Y205-L250 HydrophobicContact CE2-CD2 3.74Å; V209-L250 HydrophobicContact CG2-CD2 3.61Å; Y212-L250 HydrophobicContact CD1-CD1 4.31Å; Y212-L250 HydrophobicContact CE1-CD1 4.41Å; L224-L250 HydrophobicContact CD1-CB 4.36Å; L224-L250 HydrophobicContact CD1-CD2 4.08Å; L224-L250 HydrophobicContact CD1-CG 3.77Å; L224-L250 HydrophobicContact CD2-CD2 3.79Å; L224-L250 HydrophobicContact CD2-CG 4.27Å; K246-L250 PolarHBondContact O-N 3.34Å; D247-L250 PolarHBondContact O-N 2.79Å; L250-A252 VanDerWaalsContact C-N 3.34Å; L250-A252 PolarHBondContact O-N 3.11Å; L250-T253 CarbonylContact O-C 3.48Å; L250-T253 WeakPolarHBondContact O-CA 3.39Å; L250-T253 WeakPolarHBondContact O-CB 3.33Å; L250-T253 PolarHBondContact O-N 2.79Å; L250-V254 HydrophobicContact CD1-CG2 4.23Å; L250-V254 HydrophobicContact CG-CG2 4.29Å; L250-V254 WeakPolarHBondContact O-CG2 3.5Å; L250-V254 PolarHBondContact O-N 2.88Å
251L95.2Very high91.8Very high11 Ų1140.1 Ų40.16%0.05820%0.2CC..Hα-helixtrans-56.6-45.6176179.561.4000112.3T221 L224 D247 L248 T253 V254 Y255 A270T221-L251 HydrophobicContact CG2-CD1 4.03Å; L224-L251 HydrophobicContact CB-CB 4.17Å; L224-L251 HydrophobicContact CB-CD1 4.01Å; L224-L251 HydrophobicContact CD1-CB 4.28Å; L224-L251 HydrophobicContact CD1-CD1 4.47Å; D247-L251 WeakPolarHBondContact O-CB 3.38Å; D247-L251 PolarHBondContact O-N 2.84Å; L248-L251 HydrophobicContact CD2-CD2 4.37Å; L248-L251 PolarHBondContact O-N 3.02Å; L251-T253 VanDerWaalsContact C-N 3.31Å; L251-T253 PolarHBondContact O-N 3.29Å; L251-V254 PolarHBondContact O-N 3.04Å; L251-Y255 HydrophobicContact CD1-CD2 4.06Å; L251-Y255 HydrophobicContact CD1-CE2 3.51Å; L251-Y255 HydrophobicContact CD2-CE2 4.16Å; L251-Y255 HydrophobicContact CG-CD2 4.01Å; L251-Y255 HydrophobicContact CG-CE2 3.61Å; L251-Y255 VanDerWaalsContact O-CD2 3.29Å; L251-Y255 WeakPolarHBondContact O-CD2 3.45Å; L251-Y255 PolarHBondContact O-N 3.07Å; L251-A270 HydrophobicContact CD2-CB 4.43Å; L251-A270 HydrophobicContact CG-CB 4.43Å
252A95.1Very high91.9Very high0 Ų045.4 Ų45.40%021%0.21CC..Hα-helixtrans-60.9-39.6174.900000112.2L248 R249 L250 Y255 L256 A267 A270 V271 L286 I290L248-A252 WeakPolarHBondContact O-CB 3.47Å; L248-A252 PolarHBondContact O-N 2.68Å; R249-A252 PolarHBondContact O-N 3.13Å; L250-A252 VanDerWaalsContact C-N 3.34Å; L250-A252 PolarHBondContact O-N 3.11Å; A252-Y255 PolarHBondContact O-N 3.28Å; A252-L256 WeakPolarHBondContact O-CB 3.49Å; A252-L256 PolarHBondContact O-N 3.23Å; A252-A267 WeakPolarHBondContact CB-O 3.41Å; A252-A270 HydrophobicContact CB-CB 3.85Å; A252-V271 HydrophobicContact CB-CB 3.95Å; A252-L286 HydrophobicContact CB-CD2 4.03Å; A252-I290 HydrophobicContact CB-CD1 4.09Å
253T94.8Very high92Very high24 Ų2442.8 Ų42.815%0.14720%0.195CC..Hα-helixtrans-65.7-42.3175.7-55.50000111.5R249 L250 L251 L256 E257 L286R249-T253 PolarHBondContact O-N 3.29Å; R249-T253 PolarHBondContact O-OG1 3.13Å; L250-T253 CarbonylContact O-C 3.48Å; L250-T253 WeakPolarHBondContact O-CA 3.39Å; L250-T253 WeakPolarHBondContact O-CB 3.33Å; L250-T253 PolarHBondContact O-N 2.79Å; L251-T253 VanDerWaalsContact C-N 3.31Å; L251-T253 PolarHBondContact O-N 3.29Å; T253-L256 WeakPolarHBondContact O-CB 3.33Å; T253-L256 PolarHBondContact O-N 2.93Å; T253-E257 WeakPolarHBondContact O-CG 3.18Å; T253-E257 PolarHBondContact O-N 3.33Å; T253-L286 WeakPolarHBondContact OG1-CD2 3.5Å
254V95.3Very high92Very high0 Ų044 Ų440%020%0.198CC..Hα-helixtrans-62.5-44.6176.9-178.50000110.7Y212 F217 T221 L224 L250 L251 L256 E257 W258Y212-V254 HydrophobicContact CD2-CB 4.39Å; Y212-V254 HydrophobicContact CD2-CG1 4.4Å; Y212-V254 HydrophobicContact CD2-CG2 3.53Å; Y212-V254 HydrophobicContact CE2-CG2 4.06Å; Y212-V254 HydrophobicContact CG-CG2 4.14Å; F217-V254 HydrophobicContact CB-CG1 4.18Å; F217-V254 HydrophobicContact CD1-CG1 3.95Å; T221-V254 HydrophobicContact CG2-CB 4.2Å; T221-V254 HydrophobicContact CG2-CG1 3.55Å; L224-V254 HydrophobicContact CD1-CG2 3.75Å; L250-V254 HydrophobicContact CD1-CG2 4.23Å; L250-V254 HydrophobicContact CG-CG2 4.29Å; L250-V254 WeakPolarHBondContact O-CG2 3.5Å; L250-V254 PolarHBondContact O-N 2.88Å; L251-V254 PolarHBondContact O-N 3.04Å; V254-L256 VanDerWaalsContact C-N 3.35Å; V254-L256 PolarHBondContact O-N 3.44Å; V254-E257 PolarHBondContact O-N 3.39Å; V254-W258 VanDerWaalsContact O-CB 3.24Å; V254-W258 WeakPolarHBondContact O-CB 3.5Å; V254-W258 PolarHBondContact O-N 2.91Å
255Y94.8Very high92Very high24 Ų2450.1 Ų50.19%0.09423%0.226CC..Hα-helixtrans-61.9-41.9175.1-77.2-53.1000112.6T221 L251 A252 E257 D259 F263 K266T221-Y255 HydrophobicContact CG2-CD1 3.75Å; T221-Y255 HydrophobicContact CG2-CE1 3.51Å; T221-Y255 HydrophobicContact CG2-CE2 4.49Å; T221-Y255 HydrophobicContact CG2-CG 4.32Å; L251-Y255 HydrophobicContact CD1-CD2 4.06Å; L251-Y255 HydrophobicContact CD1-CE2 3.51Å; L251-Y255 HydrophobicContact CD2-CE2 4.16Å; L251-Y255 HydrophobicContact CG-CD2 4.01Å; L251-Y255 HydrophobicContact CG-CE2 3.61Å; L251-Y255 VanDerWaalsContact O-CD2 3.29Å; L251-Y255 WeakPolarHBondContact O-CD2 3.45Å; L251-Y255 PolarHBondContact O-N 3.07Å; A252-Y255 PolarHBondContact O-N 3.28Å; Y255-E257 VanDerWaalsContact C-N 3.35Å; Y255-E257 PolarHBondContact O-N 3.16Å; Y255-D259 PolarHBondContact O-N 3.29Å; Y255-F263 HydrophobicContact CD1-CB 3.71Å; Y255-F263 HydrophobicContact CD1-CD1 4.08Å; Y255-F263 HydrophobicContact CD1-CD2 4.37Å; Y255-F263 AromaticContact CD1-CG 3.81Å; Y255-F263 HydrophobicContact CD1-CG 3.81Å; Y255-F263 HydrophobicContact CE1-CD1 4.23Å; Y255-F263 HydrophobicContact CE1-CG 4.42Å; Y255-F263 HydrophobicContact CG-CB 4.15Å; Y255-K266 HydrophobicContact CD1-CB 4.28Å; Y255-K266 HydrophobicContact CD2-CB 3.9Å; Y255-K266 HydrophobicContact CE1-CB 4.21Å; Y255-K266 HydrophobicContact CE1-CD 3.85Å; Y255-K266 HydrophobicContact CE2-CB 3.82Å; Y255-K266 HydrophobicContact CE2-CD 4.46Å; Y255-K266 HydrophobicContact CG-CB 4.14Å
256L92.3Very high92Very high12 Ų1255.4 Ų55.46%0.06325%0.249CC..Hα-helixtrans-60.9-42.2177177.364.1000112.1A252 T253 V254 C260 L286 R289 I290 R293A252-L256 WeakPolarHBondContact O-CB 3.49Å; A252-L256 PolarHBondContact O-N 3.23Å; T253-L256 WeakPolarHBondContact O-CB 3.33Å; T253-L256 PolarHBondContact O-N 2.93Å; V254-L256 VanDerWaalsContact C-N 3.35Å; V254-L256 PolarHBondContact O-N 3.44Å; L256-C260 HydrophobicContact CD1-CB 3.95Å; L256-C260 WeakPolarHBondContact CD1-SG 3.31Å; L256-L286 HydrophobicContact CD2-CD1 4.23Å; L256-R289 HydrophobicContact CD2-CG 4.06Å; L256-I290 HydrophobicContact CB-CG1 4.35Å; L256-I290 HydrophobicContact CD1-CG1 4.17Å; L256-I290 HydrophobicContact CD2-CG1 3.98Å; L256-I290 HydrophobicContact CG-CG1 4.4Å; L256-R293 HydrophobicContact CD1-CB 3.77Å; L256-R293 HydrophobicContact CD1-CG 4.2Å
257E92.5Very high92Very high76 Ų7650.2 Ų50.236%0.35523%0.227SC..Hα-helixtrans-83.2-26-177.4-70.7-176-177.200114Y212 F217 T253 V254 Y255 R289Y212-E257 VanDerWaalsContact CE2-OE2 3.25Å; Y212-E257 WeakPolarHBondContact CE2-OE2 3.47Å; Y212-E257 VanDerWaalsContact CZ-OE2 3.31Å; Y212-E257 VanDerWaalsContact OH-CD 3.26Å; Y212-E257 PolarHBondContact OH-OE1 3.28Å; Y212-E257 PolarHBondContact OH-OE2 3.2Å; F217-E257 HydrophobicContact CE1-CB 4.25Å; F217-E257 HydrophobicContact CZ-CB 4.41Å; T253-E257 WeakPolarHBondContact O-CG 3.18Å; T253-E257 PolarHBondContact O-N 3.33Å; V254-E257 PolarHBondContact O-N 3.39Å; Y255-E257 VanDerWaalsContact C-N 3.35Å; Y255-E257 PolarHBondContact O-N 3.16Å; E257-R289 IonicContact OE1-NH2 3.89Å
258W92.6Very high92Very high79 Ų7952.1 Ų52.130%0.29924%0.237SC..Hα-helixtrans-67.8-60.3177-172.60.2000111.3F217 E218 T221 V254 F263F217-W258 HydrophobicContact CB-CB 3.59Å; F217-W258 HydrophobicContact CB-CD2 3.42Å; F217-W258 VanDerWaalsContact CB-CD2 3.42Å; F217-W258 HydrophobicContact CB-CE3 3.81Å; F217-W258 HydrophobicContact CB-CG 3.31Å; F217-W258 HydrophobicContact CD1-CB 4.41Å; F217-W258 HydrophobicContact CD2-CB 3.92Å; F217-W258 AromaticContact CD2-CD1 3.73Å; F217-W258 AromaticContact CD2-CG 3.88Å; F217-W258 HydrophobicContact CD2-CG 3.88Å; F217-W258 HydrophobicContact CG-CB 3.73Å; F217-W258 HydrophobicContact CG-CD2 4.44Å; F217-W258 AromaticContact CG-CG 3.83Å; F217-W258 HydrophobicContact CG-CG 3.83Å; E218-W258 HydrophobicContact CB-CH2 3.38Å; E218-W258 HydrophobicContact CB-CZ2 3.62Å; E218-W258 HydrophobicContact CB-CZ3 4.15Å; E218-W258 HydrophobicContact CG-CH2 3.71Å; E218-W258 HydrophobicContact CG-CZ2 4.24Å; T221-W258 HydrophobicContact CG2-CE3 3.85Å; T221-W258 HydrophobicContact CG2-CZ3 3.95Å; T221-W258 WeakPolarHBondContact OG1-CZ3 3.19Å; V254-W258 VanDerWaalsContact O-CB 3.24Å; V254-W258 WeakPolarHBondContact O-CB 3.5Å; V254-W258 PolarHBondContact O-N 2.91Å; W258-F263 HydrophobicContact CB-CD2 4.4Å; W258-F263 HydrophobicContact CD2-CD2 4.16Å; W258-F263 AromaticContact CD2-CE2 3.53Å; W258-F263 HydrophobicContact CD2-CE2 3.53Å; W258-F263 HydrophobicContact CD2-CZ 4.21Å; W258-F263 AromaticContact CE2-CE2 3.82Å; W258-F263 HydrophobicContact CE3-CD2 4.17Å; W258-F263 AromaticContact CE3-CE2 3.66Å; W258-F263 HydrophobicContact CE3-CE2 3.66Å; W258-F263 HydrophobicContact CE3-CZ 4.04Å; W258-F263 HydrophobicContact CG-CD2 4.28Å; W258-F263 AromaticContact CG-CE2 3.94Å; W258-F263 HydrophobicContact CG-CE2 3.94Å; W258-F263 HydrophobicContact CH2-CE2 4.27Å; W258-F263 AromaticContact CH2-CZ 3.98Å; W258-F263 HydrophobicContact CH2-CZ 3.98Å; W258-F263 HydrophobicContact CZ2-CE2 4.2Å; W258-F263 HydrophobicContact CZ2-CZ 4.18Å; W258-F263 HydrophobicContact CZ3-CE2 4.03Å; W258-F263 AromaticContact CZ3-CZ 3.92Å; W258-F263 HydrophobicContact CZ3-CZ 3.92Å
259D88.2Confident91.9Very high64 Ų6457 Ų5734%0.34226%0.263SS..Hα-helixtrans-164.797.7176.4-176.4-22000108.1Y255 Q261 R262 F263Y255-D259 PolarHBondContact O-N 3.29Å; D259-Q261 VanDerWaalsContact C-N 3.29Å; D259-Q261 PolarHBondContact O-N 3.4Å; D259-Q261 PolarHBondContact OD1-N 3.18Å; D259-Q261 VanDerWaalsContact OD1-N 3.09Å; D259-R262 HydrophobicContact CB-CB 4.02Å; D259-R262 VanDerWaalsContact CG-CB 3.45Å; D259-R262 PolarHBondContact O-N 3.49Å; D259-R262 PolarHBondContact OD1-N 3.09Å; D259-R262 WeakPolarHBondContact OD2-CB 3.43Å; D259-F263 HydrophobicContact CB-CD2 3.94Å; D259-F263 HydrophobicContact CB-CE2 4.18Å; D259-F263 WeakPolarHBondContact O-CB 3.47Å; D259-F263 WeakPolarHBondContact O-CD2 3.47Å; D259-F263 PolarHBondContact O-N 3.28Å
260C82.6Confident91.8Very high19 Ų1956.1 Ų56.113%0.12826%0.261CS..Hα-helixtrans-60.6-37.4-177.4-176.40000112.5L256 Q264 R293 S294L256-C260 HydrophobicContact CD1-CB 3.95Å; L256-C260 WeakPolarHBondContact CD1-SG 3.31Å; C260-Q264 VanDerWaalsContact O-CA 3.32Å; C260-Q264 WeakPolarHBondContact O-CA 3.44Å; C260-Q264 WeakPolarHBondContact O-CB 3.49Å; C260-Q264 PolarHBondContact O-N 3.47Å; C260-R293 VanDerWaalsContact SG-CB 3.54Å; C260-S294 PolarHBondContact SG-OG 3.05Å
261Q83.9Confident91.8Very high147 Ų14754.8 Ų54.869%0.68725%0.254SS*.Hα-helixtrans-70.2-41.4-177.8-68.8-175-14.400111.1D259D259-Q261 VanDerWaalsContact C-N 3.29Å; D259-Q261 PolarHBondContact O-N 3.4Å; D259-Q261 PolarHBondContact OD1-N 3.18Å; D259-Q261 VanDerWaalsContact OD1-N 3.09Å
262R89.5Confident91.6Very high185 Ų18556.6 Ų56.670%0.69826%0.264SS*.Hα-helixtrans-75.8-35.6-179.6-172.6175.9179.6-175.8-1.9113.2D259D259-R262 HydrophobicContact CB-CB 4.02Å; D259-R262 VanDerWaalsContact CG-CB 3.45Å; D259-R262 PolarHBondContact O-N 3.49Å; D259-R262 PolarHBondContact OD1-N 3.09Å; D259-R262 WeakPolarHBondContact OD2-CB 3.43Å
263F90.9Very high91.5Very high19 Ų1959.3 Ų59.38%0.08328%0.278CS..Hα-helixtrans-111.914.5-172.2-59.2-64.5000114.4Y255 W258 D259 E265 K266 A267Y255-F263 HydrophobicContact CD1-CB 3.71Å; Y255-F263 HydrophobicContact CD1-CD1 4.08Å; Y255-F263 HydrophobicContact CD1-CD2 4.37Å; Y255-F263 AromaticContact CD1-CG 3.81Å; Y255-F263 HydrophobicContact CD1-CG 3.81Å; Y255-F263 HydrophobicContact CE1-CD1 4.23Å; Y255-F263 HydrophobicContact CE1-CG 4.42Å; Y255-F263 HydrophobicContact CG-CB 4.15Å; W258-F263 HydrophobicContact CB-CD2 4.4Å; W258-F263 HydrophobicContact CD2-CD2 4.16Å; W258-F263 AromaticContact CD2-CE2 3.53Å; W258-F263 HydrophobicContact CD2-CE2 3.53Å; W258-F263 HydrophobicContact CD2-CZ 4.21Å; W258-F263 AromaticContact CE2-CE2 3.82Å; W258-F263 HydrophobicContact CE3-CD2 4.17Å; W258-F263 AromaticContact CE3-CE2 3.66Å; W258-F263 HydrophobicContact CE3-CE2 3.66Å; W258-F263 HydrophobicContact CE3-CZ 4.04Å; W258-F263 HydrophobicContact CG-CD2 4.28Å; W258-F263 AromaticContact CG-CE2 3.94Å; W258-F263 HydrophobicContact CG-CE2 3.94Å; W258-F263 HydrophobicContact CH2-CE2 4.27Å; W258-F263 AromaticContact CH2-CZ 3.98Å; W258-F263 HydrophobicContact CH2-CZ 3.98Å; W258-F263 HydrophobicContact CZ2-CE2 4.2Å; W258-F263 HydrophobicContact CZ2-CZ 4.18Å; W258-F263 HydrophobicContact CZ3-CE2 4.03Å; W258-F263 AromaticContact CZ3-CZ 3.92Å; W258-F263 HydrophobicContact CZ3-CZ 3.92Å; D259-F263 HydrophobicContact CB-CD2 3.94Å; D259-F263 HydrophobicContact CB-CE2 4.18Å; D259-F263 WeakPolarHBondContact O-CB 3.47Å; D259-F263 WeakPolarHBondContact O-CD2 3.47Å; D259-F263 PolarHBondContact O-N 3.28Å; F263-E265 VanDerWaalsContact C-N 3.35Å; F263-E265 PolarHBondContact O-N 2.78Å; F263-K266 HydrophobicContact CD1-CD 4.1Å; F263-K266 PolarHBondContact O-N 3Å; F263-K266 VanDerWaalsContact O-N 3.12Å; F263-A267 PolarHBondContact O-N 3.38Å
264Q89Confident91.4Very high74 Ų7458.2 Ų58.235%0.34627%0.271SS..Hα-helixtrans-49.3-48.8179.453.7-176.7900113.9C260 K266 A267 L268 S294C260-Q264 VanDerWaalsContact O-CA 3.32Å; C260-Q264 WeakPolarHBondContact O-CA 3.44Å; C260-Q264 WeakPolarHBondContact O-CB 3.49Å; C260-Q264 PolarHBondContact O-N 3.47Å; Q264-K266 PolarHBondContact O-N 3.14Å; Q264-A267 PolarHBondContact O-N 3.29Å; Q264-L268 VanDerWaalsContact O-CB 3.29Å; Q264-L268 WeakPolarHBondContact O-CB 3.44Å; Q264-L268 PolarHBondContact O-N 3.46Å; Q264-S294 WeakPolarHBondContact CB-OG 3.43Å
265E91Very high91.1Very high143 Ų14358.6 Ų58.667%0.66827%0.273SS*.Hα-helixtrans-64.1-43.8-178.6-68-178.8173.500110.5F263 A267 L268 D269F263-E265 VanDerWaalsContact C-N 3.35Å; F263-E265 PolarHBondContact O-N 2.78Å; E265-A267 PolarHBondContact O-N 3.02Å; E265-L268 PolarHBondContact O-N 3.41Å; E265-D269 WeakPolarHBondContact O-CB 3.41Å; E265-D269 VanDerWaalsContact O-CG 3.25Å; E265-D269 PolarHBondContact O-N 3.24Å
266K92.6Very high90.9Very high111 Ų11165.3 Ų65.348%0.48330%0.303SS..Hα-helixtrans-65.6-39.7178-63.6-168-178.6-177.50112.5Y255 F263 Q264 A270Y255-K266 HydrophobicContact CD1-CB 4.28Å; Y255-K266 HydrophobicContact CD2-CB 3.9Å; Y255-K266 HydrophobicContact CE1-CB 4.21Å; Y255-K266 HydrophobicContact CE1-CD 3.85Å; Y255-K266 HydrophobicContact CE2-CB 3.82Å; Y255-K266 HydrophobicContact CE2-CD 4.46Å; Y255-K266 HydrophobicContact CG-CB 4.14Å; F263-K266 HydrophobicContact CD1-CD 4.1Å; F263-K266 PolarHBondContact O-N 3Å; F263-K266 VanDerWaalsContact O-N 3.12Å; Q264-K266 PolarHBondContact O-N 3.14Å; K266-A270 VanDerWaalsContact O-CB 3.23Å; K266-A270 WeakPolarHBondContact O-CB 3.37Å; K266-A270 PolarHBondContact O-N 3.41Å
267A93.9Very high90.6Very high1 Ų167.9 Ų67.91%0.00832%0.315CS..Hα-helixtrans-63.8-44.9175.500000110.7A252 F263 Q264 E265 A270 V271 I290A252-A267 WeakPolarHBondContact CB-O 3.41Å; F263-A267 PolarHBondContact O-N 3.38Å; Q264-A267 PolarHBondContact O-N 3.29Å; E265-A267 PolarHBondContact O-N 3.02Å; A267-A270 PolarHBondContact O-N 3.38Å; A267-V271 PolarHBondContact O-N 3.38Å; A267-I290 HydrophobicContact CB-CD1 4.01Å; A267-I290 HydrophobicContact CB-CG1 4.31Å; A267-I290 HydrophobicContact CB-CG2 4.01Å
268L92.2Very high90.4Very high45 Ų4566.4 Ų66.424%0.23631%0.312CS..Hα-helixtrans-67.3-43.8-179.6-172.360.6000111.7Q264 E265 A270 V271 I272 K287 I290 L291Q264-L268 VanDerWaalsContact O-CB 3.29Å; Q264-L268 WeakPolarHBondContact O-CB 3.44Å; Q264-L268 PolarHBondContact O-N 3.46Å; E265-L268 PolarHBondContact O-N 3.41Å; L268-A270 PolarHBondContact O-N 3.03Å; L268-V271 HydrophobicContact CD1-CG1 4.27Å; L268-V271 VanDerWaalsContact O-CG1 3.27Å; L268-V271 WeakPolarHBondContact O-CG1 3.43Å; L268-V271 PolarHBondContact O-N 3.16Å; L268-I272 HydrophobicContact CD1-CD1 4.05Å; L268-I272 HydrophobicContact CD1-CG1 4.35Å; L268-I272 HydrophobicContact CD2-CD1 4.48Å; L268-I272 HydrophobicContact CG-CD1 3.78Å; L268-I272 HydrophobicContact CG-CG1 4.46Å; L268-I272 WeakPolarHBondContact O-CB 3.34Å; L268-I272 WeakPolarHBondContact O-CG1 3.47Å; L268-I272 PolarHBondContact O-N 2.96Å; L268-K287 HydrophobicContact CD1-CG 4.07Å; L268-I290 HydrophobicContact CB-CG2 4.33Å; L268-L291 HydrophobicContact CD1-CD2 4.01Å; L268-L291 HydrophobicContact CD1-CG 4.26Å; L268-L291 HydrophobicContact CD2-CD2 4.09Å
269D93.3Very high90.2Very high107 Ų10767.1 Ų67.157%0.57233%0.325SS*.Hα-helixtrans-62.4-43.7176-75.1-21.5000111.4E265 I272 L273E265-D269 WeakPolarHBondContact O-CB 3.41Å; E265-D269 VanDerWaalsContact O-CG 3.25Å; E265-D269 PolarHBondContact O-N 3.24Å; D269-I272 PolarHBondContact O-N 3.37Å; D269-L273 VanDerWaalsContact O-CB 3.24Å; D269-L273 WeakPolarHBondContact O-CB 3.36Å; D269-L273 PolarHBondContact O-N 2.82Å
270A93.7Very high90.2Very high9 Ų965.2 Ų65.27%0.07432%0.317CS..Hα-helixtrans-62.1-44.3178.300000111.9L251 A252 K266 A267 L268 L273 A274L251-A270 HydrophobicContact CD2-CB 4.43Å; L251-A270 HydrophobicContact CG-CB 4.43Å; A252-A270 HydrophobicContact CB-CB 3.85Å; K266-A270 VanDerWaalsContact O-CB 3.23Å; K266-A270 WeakPolarHBondContact O-CB 3.37Å; K266-A270 PolarHBondContact O-N 3.41Å; A267-A270 PolarHBondContact O-N 3.38Å; L268-A270 PolarHBondContact O-N 3.03Å; A270-L273 PolarHBondContact O-N 3.1Å; A270-A274 WeakPolarHBondContact O-CB 3.31Å; A270-A274 PolarHBondContact O-N 3.07Å
271V94.1Very high90.5Very high0 Ų067.4 Ų67.40%033%0.33CS..Hα-helixtrans-73.1-35.7178.673.70000112.6A252 A267 L268 L273 A274 N275 G283 L286 K287 I290A252-V271 HydrophobicContact CB-CB 3.95Å; A267-V271 PolarHBondContact O-N 3.38Å; L268-V271 HydrophobicContact CD1-CG1 4.27Å; L268-V271 VanDerWaalsContact O-CG1 3.27Å; L268-V271 WeakPolarHBondContact O-CG1 3.43Å; L268-V271 PolarHBondContact O-N 3.16Å; V271-L273 VanDerWaalsContact C-N 3.32Å; V271-A274 WeakPolarHBondContact O-CB 3.13Å; V271-A274 PolarHBondContact O-N 3.41Å; V271-N275 VanDerWaalsContact O-CG 3.28Å; V271-N275 PolarHBondContact O-N 3.24Å; V271-N275 PolarHBondContact O-ND2 2.7Å; V271-G283 VanDerWaalsContact CG2-O 3.26Å; V271-G283 WeakPolarHBondContact CG2-O 3.14Å; V271-L286 HydrophobicContact CG2-CB 4.18Å; V271-L286 HydrophobicContact CG2-CD2 4.1Å; V271-L286 HydrophobicContact CG2-CG 4.13Å; V271-K287 HydrophobicContact CG1-CB 3.88Å; V271-K287 HydrophobicContact CG1-CG 4.07Å; V271-K287 HydrophobicContact CG2-CB 4.08Å; V271-I290 HydrophobicContact CB-CD1 4.09Å; V271-I290 HydrophobicContact CG1-CD1 3.82Å
272I91.9Very high90.6Very high50 Ų5063.8 Ų63.826%0.25632%0.32SS..Hα-helixtrans-63-44173.8-72.6169.6000109.7L268 D269 A274 N275 K276L268-I272 HydrophobicContact CD1-CD1 4.05Å; L268-I272 HydrophobicContact CD1-CG1 4.35Å; L268-I272 HydrophobicContact CD2-CD1 4.48Å; L268-I272 HydrophobicContact CG-CD1 3.78Å; L268-I272 HydrophobicContact CG-CG1 4.46Å; L268-I272 WeakPolarHBondContact O-CB 3.34Å; L268-I272 WeakPolarHBondContact O-CG1 3.47Å; L268-I272 PolarHBondContact O-N 2.96Å; D269-I272 PolarHBondContact O-N 3.37Å; I272-A274 VanDerWaalsContact C-N 3.35Å; I272-N275 PolarHBondContact O-N 3.44Å; I272-K276 HydrophobicContact CG2-CD 4.29Å; I272-K276 WeakPolarHBondContact O-CG 3.3Å; I272-K276 PolarHBondContact O-N 3.43Å
273L92.2Very high90.7Very high57 Ų5755 Ų5530%0.29829%0.287SS..Hα-helixtrans-63.8-42.6175.9-171.361.3000110.8Y228 L248 D269 A270 V271 N275 K276 E277Y228-L273 HydrophobicContact CE1-CD2 3.9Å; L248-L273 HydrophobicContact CD1-CB 3.99Å; L248-L273 HydrophobicContact CD1-CD2 3.89Å; L248-L273 HydrophobicContact CD1-CG 3.63Å; L248-L273 HydrophobicContact CD2-CD2 4.09Å; D269-L273 VanDerWaalsContact O-CB 3.24Å; D269-L273 WeakPolarHBondContact O-CB 3.36Å; D269-L273 PolarHBondContact O-N 2.82Å; A270-L273 PolarHBondContact O-N 3.1Å; V271-L273 VanDerWaalsContact C-N 3.32Å; L273-N275 VanDerWaalsContact C-N 3.32Å; L273-N275 PolarHBondContact O-N 2.88Å; L273-K276 WeakPolarHBondContact O-CB 3.48Å; L273-K276 PolarHBondContact O-N 2.71Å; L273-K276 VanDerWaalsContact O-N 3.13Å; L273-E277 WeakPolarHBondContact O-CG 3.49Å; L273-E277 PolarHBondContact O-N 2.69Å
274A93Very high90.7Very high0 Ų054.3 Ų54.30%029%0.285CS..Hα-helixtrans-58-44.2175.900000112.3A245 L248 R249 A270 V271 I272 K276 E277 C278A245-A274 HydrophobicContact CB-CB 4.47Å; A245-A274 WeakPolarHBondContact CB-O 3.1Å; L248-A274 HydrophobicContact CB-CB 3.61Å; L248-A274 HydrophobicContact CD1-CB 4.3Å; R249-A274 HydrophobicContact CG-CB 3.77Å; A270-A274 WeakPolarHBondContact O-CB 3.31Å; A270-A274 PolarHBondContact O-N 3.07Å; V271-A274 WeakPolarHBondContact O-CB 3.13Å; V271-A274 PolarHBondContact O-N 3.41Å; I272-A274 VanDerWaalsContact C-N 3.35Å; A274-K276 VanDerWaalsContact C-N 3.33Å; A274-E277 PolarHBondContact O-N 3.26Å; A274-C278 CarbonylContact O-C 3.55Å; A274-C278 PolarHBondContact O-N 3.48Å; A274-C278 VanDerWaalsContact O-O 3.05Å
275N90Very high90.8Very high9 Ų954 Ų545%0.04828%0.281CS..Hα-helixtrans-69.9-30.5179-68.1-16.3000112V271 I272 L273 C278 V279 G283V271-N275 VanDerWaalsContact O-CG 3.28Å; V271-N275 PolarHBondContact O-N 3.24Å; V271-N275 PolarHBondContact O-ND2 2.7Å; I272-N275 PolarHBondContact O-N 3.44Å; L273-N275 VanDerWaalsContact C-N 3.32Å; L273-N275 PolarHBondContact O-N 2.88Å; N275-C278 CarbonylContact O-C 3.48Å; N275-V279 WeakPolarHBondContact O-CG2 3.33Å; N275-V279 PolarHBondContact O-N 2.9Å; N275-G283 PolarHBondContact ND2-O 3.43Å; N275-G283 VanDerWaalsContact OD1-CA 3.28Å; N275-G283 WeakPolarHBondContact OD1-CA 3.31Å
276K89.3Confident90.9Very high165 Ų16547.8 Ų47.872%0.71725%0.252SS*.Hα-helixtrans-67.2-40.6171.2-74.3173.8-179.7176.30112.5I272 L273 A274I272-K276 HydrophobicContact CG2-CD 4.29Å; I272-K276 WeakPolarHBondContact O-CG 3.3Å; I272-K276 PolarHBondContact O-N 3.43Å; L273-K276 WeakPolarHBondContact O-CB 3.48Å; L273-K276 PolarHBondContact O-N 2.71Å; L273-K276 VanDerWaalsContact O-N 3.13Å; A274-K276 VanDerWaalsContact C-N 3.33Å
277E87.1Confident90.9Very high65 Ų6544.2 Ų44.230%0.30424%0.237SC..Hα-helixtrans-68.7-46.5177.6-65-70.417700111.2Y228 A245 L248 L273 A274Y228-E277 PolarHBondContact OH-OE1 3.05Å; A245-E277 HydrophobicContact CB-CB 4.16Å; L248-E277 HydrophobicContact CD1-CG 4.19Å; L273-E277 WeakPolarHBondContact O-CG 3.49Å; L273-E277 PolarHBondContact O-N 2.69Å; A274-E277 PolarHBondContact O-N 3.26Å
278C87.9Confident90.8Very high46 Ų4644.3 Ų44.331%0.31124%0.237SC..SBendtrans-156.5110.7176.8-177.20000109.6A245 R249 A274 N275 S280A245-C278 HydrophobicContact CB-CB 3.71Å; R249-C278 PolarHBondContact NH2-O 2.94Å; A274-C278 CarbonylContact O-C 3.55Å; A274-C278 PolarHBondContact O-N 3.48Å; A274-C278 VanDerWaalsContact O-O 3.05Å; N275-C278 CarbonylContact O-C 3.48Å; C278-S280 PolarHBondContact O-N 2.86Å
279V87.8Confident90.8Very high93 Ų9346.1 Ų46.156%0.56424%0.241SC*.  trans-65.8132.2176.2-177.90000109.6N275 L284N275-V279 WeakPolarHBondContact O-CG2 3.33Å; N275-V279 PolarHBondContact O-N 2.9Å; V279-L284 HydrophobicContact CG1-CD1 4.13Å; V279-L284 HydrophobicContact CG1-CG 4.32Å
280S88.7Confident90.8Very high25 Ų2541.1 Ų41.118%0.17521%0.214CC..  trans-140.2155.3170.674.70000111.6R249 C278 S282 G283 L284R249-S280 PolarHBondContact NE-OG 3.29Å; R249-S280 VanDerWaalsContact NE-OG 3.12Å; R249-S280 PolarHBondContact NH2-OG 3.19Å; R249-S280 VanDerWaalsContact NH2-OG 3.1Å; C278-S280 PolarHBondContact O-N 2.86Å; S280-S282 PolarHBondContact O-N 3.37Å; S280-S282 PolarHBondContact OG-OG 3.28Å; S280-G283 PolarHBondContact O-N 3.45Å; S280-G283 PolarHBondContact OG-N 3.46Å; S280-L284 PolarHBondContact O-N 2.94Å
281T88.9Confident90.6Very high65 Ų6541.2 Ų41.240%0.39921%0.213SC..Hα-helixtrans-54.1-43.317353.10000111.7G283 L284 Y285 V313T281-G283 VanDerWaalsContact C-N 3.34Å; T281-G283 PolarHBondContact O-N 3.07Å; T281-L284 PolarHBondContact O-N 3.18Å; T281-Y285 WeakPolarHBondContact O-CB 3.31Å; T281-Y285 PolarHBondContact O-N 3.15Å; T281-V313 HydrophobicContact CG2-CB 4.16Å; T281-V313 HydrophobicContact CG2-CG1 3.89Å
282S86.5Confident90.5Very high70 Ų7041.5 Ų41.549%0.4922%0.215SC..Hα-helixtrans-64.3-35.7176.955.60000113.2S280 L286S280-S282 PolarHBondContact O-N 3.37Å; S280-S282 PolarHBondContact OG-OG 3.28Å; S282-L286 WeakPolarHBondContact O-CB 3.29Å; S282-L286 PolarHBondContact O-N 3.39Å
283G90.7Very high90.3Very high0 Ų045.8 Ų45.80%023%0.228CC..Hα-helixtrans-72.7-40.8177.900000112.7V271 N275 S280 T281 L286 K287V271-G283 VanDerWaalsContact CG2-O 3.26Å; V271-G283 WeakPolarHBondContact CG2-O 3.14Å; N275-G283 PolarHBondContact ND2-O 3.43Å; N275-G283 VanDerWaalsContact OD1-CA 3.28Å; N275-G283 WeakPolarHBondContact OD1-CA 3.31Å; S280-G283 PolarHBondContact O-N 3.45Å; S280-G283 PolarHBondContact OG-N 3.46Å; T281-G283 VanDerWaalsContact C-N 3.34Å; T281-G283 PolarHBondContact O-N 3.07Å; G283-L286 PolarHBondContact O-N 2.96Å; G283-K287 WeakPolarHBondContact O-CB 3.5Å; G283-K287 PolarHBondContact O-N 3.41Å
284L90.9Very high90Very high6 Ų644 Ų443%0.03122%0.22CC..Hα-helixtrans-65.1-44.3174-65.7175.2000111.5V279 S280 T281 K287 L288 E307 L308 S311 V313V279-L284 HydrophobicContact CG1-CD1 4.13Å; V279-L284 HydrophobicContact CG1-CG 4.32Å; S280-L284 PolarHBondContact O-N 2.94Å; T281-L284 PolarHBondContact O-N 3.18Å; L284-K287 WeakPolarHBondContact O-CB 3.38Å; L284-K287 PolarHBondContact O-N 3.01Å; L284-L288 PolarHBondContact O-N 2.9Å; L284-L288 VanDerWaalsContact O-N 3.08Å; L284-E307 HydrophobicContact CD2-CG 3.8Å; L284-E307 WeakPolarHBondContact CD2-OE1 3.48Å; L284-L308 HydrophobicContact CB-CD1 3.67Å; L284-L308 HydrophobicContact CD1-CD1 4.31Å; L284-S311 WeakPolarHBondContact CD1-OG 3.4Å; L284-V313 HydrophobicContact CD1-CG1 4.3Å
285Y91.5Very high89.6Confident66 Ų6650.9 Ų50.926%0.25925%0.252SS..Hα-helixtrans-64.3-40.6175.9-172.4-97000112.4T281 K287 L288 R289 V317 A321 L324T281-Y285 WeakPolarHBondContact O-CB 3.31Å; T281-Y285 PolarHBondContact O-N 3.15Å; Y285-K287 VanDerWaalsContact C-N 3.35Å; Y285-L288 PolarHBondContact O-N 3.18Å; Y285-R289 PolarHBondContact O-N 2.68Å; Y285-V317 HydrophobicContact CD2-CG1 4.13Å; Y285-A321 HydrophobicContact CE2-CB 4.31Å; Y285-L324 HydrophobicContact CE2-CD2 4.42Å
286L92.6Very high89.4Confident14 Ų1451 Ų517%0.07326%0.255CS..Hα-helixtrans-62.9-40.9174.8179.861.1000111.7R249 A252 T253 L256 V271 S282 G283 L288 R289 I290R249-L286 HydrophobicContact CB-CD2 4.22Å; R249-L286 WeakPolarHBondContact O-CD2 3.42Å; A252-L286 HydrophobicContact CB-CD2 4.03Å; T253-L286 WeakPolarHBondContact OG1-CD2 3.5Å; L256-L286 HydrophobicContact CD2-CD1 4.23Å; V271-L286 HydrophobicContact CG2-CB 4.18Å; V271-L286 HydrophobicContact CG2-CD2 4.1Å; V271-L286 HydrophobicContact CG2-CG 4.13Å; S282-L286 WeakPolarHBondContact O-CB 3.29Å; S282-L286 PolarHBondContact O-N 3.39Å; G283-L286 PolarHBondContact O-N 2.96Å; L286-L288 VanDerWaalsContact C-N 3.34Å; L286-L288 PolarHBondContact O-N 2.93Å; L286-R289 PolarHBondContact O-N 3.01Å; L286-I290 HydrophobicContact CD1-CD1 4.23Å; L286-I290 HydrophobicContact CD1-CG1 4.36Å; L286-I290 HydrophobicContact CG-CD1 3.96Å; L286-I290 WeakPolarHBondContact O-CG1 3.33Å; L286-I290 PolarHBondContact O-N 3.37Å
287K92.8Very high89.4Confident36 Ų3646.9 Ų46.916%0.15724%0.244CC..Hα-helixtrans-58.2-46.1174.4-176.9-176.3177-172.20111.3L268 V271 G283 L284 Y285 R289 I290 L291 E307L268-K287 HydrophobicContact CD1-CG 4.07Å; V271-K287 HydrophobicContact CG1-CB 3.88Å; V271-K287 HydrophobicContact CG1-CG 4.07Å; V271-K287 HydrophobicContact CG2-CB 4.08Å; G283-K287 WeakPolarHBondContact O-CB 3.5Å; G283-K287 PolarHBondContact O-N 3.41Å; L284-K287 WeakPolarHBondContact O-CB 3.38Å; L284-K287 PolarHBondContact O-N 3.01Å; Y285-K287 VanDerWaalsContact C-N 3.35Å; K287-R289 PolarHBondContact O-N 3.49Å; K287-I290 PolarHBondContact O-N 3.25Å; K287-L291 HydrophobicContact CG-CD1 4.38Å; K287-L291 WeakPolarHBondContact O-CG 3.4Å; K287-L291 PolarHBondContact O-N 2.99Å; K287-E307 IonicContact NZ-OE1 2.76Å; K287-E307 IonicContact NZ-OE2 3.21Å; K287-E307 PolarHBondContact NZ-OE2 3Å
288L92Very high89.6Confident2 Ų247 Ų471%0.0125%0.247CC..Hα-helixtrans-60.8-44.3175-179.467000112L284 Y285 L286 I290 L291 L292 I301 L305 A321L284-L288 PolarHBondContact O-N 2.9Å; L284-L288 VanDerWaalsContact O-N 3.08Å; Y285-L288 PolarHBondContact O-N 3.18Å; L286-L288 VanDerWaalsContact C-N 3.34Å; L286-L288 PolarHBondContact O-N 2.93Å; L288-I290 VanDerWaalsContact C-N 3.34Å; L288-I290 PolarHBondContact O-N 3.44Å; L288-L291 PolarHBondContact O-N 3.41Å; L288-L292 HydrophobicContact CD1-CD1 4.24Å; L288-L292 HydrophobicContact CD1-CG 4.48Å; L288-L292 HydrophobicContact CG-CD1 4.03Å; L288-L292 WeakPolarHBondContact O-CG 3.39Å; L288-L292 PolarHBondContact O-N 3.45Å; L288-I301 HydrophobicContact CD1-CG2 3.89Å; L288-L305 HydrophobicContact CD1-CD2 3.81Å; L288-L305 HydrophobicContact CD1-CG 3.97Å; L288-L305 HydrophobicContact CD2-CD2 3.62Å; L288-L305 HydrophobicContact CG-CD2 4.38Å; L288-A321 HydrophobicContact CD2-CB 3.5Å; L288-A321 VanDerWaalsContact CD2-CB 3.5Å
289R92.6Very high89.7Confident84 Ų8449.2 Ų49.232%0.31726%0.256SS..Hα-helixtrans-61.2-40.7177.9-176-177.6161.6-157.2-8.5112.3L256 E257 Y285 L286 K287 R293 L324L256-R289 HydrophobicContact CD2-CG 4.06Å; E257-R289 IonicContact OE1-NH2 3.89Å; Y285-R289 PolarHBondContact O-N 2.68Å; L286-R289 PolarHBondContact O-N 3.01Å; K287-R289 PolarHBondContact O-N 3.49Å; R289-R293 WeakPolarHBondContact O-CB 3.5Å; R289-R293 WeakPolarHBondContact O-CG 3.49Å; R289-R293 PolarHBondContact O-N 3.41Å; R289-R293 VanDerWaalsContact O-N 3.09Å; R289-L324 HydrophobicContact CB-CD2 4.05Å; R289-L324 HydrophobicContact CG-CD2 4.42Å
290I91.8Very high89.8Confident1 Ų149.5 Ų49.51%0.00525%0.251CS..Hα-helixtrans-63.5-51.5175.1-68.1162.3000109.9A252 L256 A267 L268 V271 L286 K287 L288 L292 R293 S294A252-I290 HydrophobicContact CB-CD1 4.09Å; L256-I290 HydrophobicContact CB-CG1 4.35Å; L256-I290 HydrophobicContact CD1-CG1 4.17Å; L256-I290 HydrophobicContact CD2-CG1 3.98Å; L256-I290 HydrophobicContact CG-CG1 4.4Å; A267-I290 HydrophobicContact CB-CD1 4.01Å; A267-I290 HydrophobicContact CB-CG1 4.31Å; A267-I290 HydrophobicContact CB-CG2 4.01Å; L268-I290 HydrophobicContact CB-CG2 4.33Å; V271-I290 HydrophobicContact CB-CD1 4.09Å; V271-I290 HydrophobicContact CG1-CD1 3.82Å; L286-I290 HydrophobicContact CD1-CD1 4.23Å; L286-I290 HydrophobicContact CD1-CG1 4.36Å; L286-I290 HydrophobicContact CG-CD1 3.96Å; L286-I290 WeakPolarHBondContact O-CG1 3.33Å; L286-I290 PolarHBondContact O-N 3.37Å; K287-I290 PolarHBondContact O-N 3.25Å; L288-I290 VanDerWaalsContact C-N 3.34Å; L288-I290 PolarHBondContact O-N 3.44Å; I290-L292 VanDerWaalsContact C-N 3.26Å; I290-L292 PolarHBondContact O-N 3.36Å; I290-R293 PolarHBondContact O-N 3.5Å; I290-S294 VanDerWaalsContact O-CB 3.31Å; I290-S294 WeakPolarHBondContact O-CB 3.49Å; I290-S294 PolarHBondContact O-N 3.01Å; I290-S294 PolarHBondContact O-OG 3.03Å
291L91.2Very high89.9Confident12 Ų1248.3 Ų48.36%0.06324%0.243CC..Hα-helixtrans-55.5-41.5179.8-71.4171.1000112.5L268 K287 L288 A296 H300 I301L268-L291 HydrophobicContact CD1-CD2 4.01Å; L268-L291 HydrophobicContact CD1-CG 4.26Å; L268-L291 HydrophobicContact CD2-CD2 4.09Å; K287-L291 HydrophobicContact CG-CD1 4.38Å; K287-L291 WeakPolarHBondContact O-CG 3.4Å; K287-L291 PolarHBondContact O-N 2.99Å; L288-L291 PolarHBondContact O-N 3.41Å; L291-A296 HydrophobicContact CB-CB 4.1Å; L291-A296 HydrophobicContact CD2-CB 3.88Å; L291-A296 WeakPolarHBondContact O-CB 3.21Å; L291-A296 PolarHBondContact O-N 3.25Å; L291-H300 HydrophobicContact CD2-CB 4.31Å; L291-I301 HydrophobicContact CB-CG1 4.28Å
292L90.3Very high90.1Very high6 Ų649.9 Ų49.93%0.03124%0.241CC..Hα-helixtrans-68.3-45.4178.8-73.8168.1000112.6L288 I290 S294 E295 I301 L324 L325 E328 R330L288-L292 HydrophobicContact CD1-CD1 4.24Å; L288-L292 HydrophobicContact CD1-CG 4.48Å; L288-L292 HydrophobicContact CG-CD1 4.03Å; L288-L292 WeakPolarHBondContact O-CG 3.39Å; L288-L292 PolarHBondContact O-N 3.45Å; I290-L292 VanDerWaalsContact C-N 3.26Å; I290-L292 PolarHBondContact O-N 3.36Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 3.06Å; L292-E295 PolarHBondContact O-N 3.11Å; L292-E295 VanDerWaalsContact O-N 3.14Å; L292-I301 HydrophobicContact CD2-CD1 3.65Å; L292-I301 HydrophobicContact CD2-CG1 4.22Å; L292-I301 HydrophobicContact CD2-CG2 4.13Å; L292-L324 HydrophobicContact CD1-CD2 3.73Å; L292-L324 HydrophobicContact CD1-CG 3.68Å; L292-L325 HydrophobicContact CD1-CD2 3.96Å; L292-L325 HydrophobicContact CD1-CG 4.41Å; L292-L325 HydrophobicContact CD2-CD2 3.66Å; L292-L325 HydrophobicContact CG-CD2 4.38Å; L292-E328 HydrophobicContact CB-CG 4.26Å; L292-R330 HydrophobicContact CD2-CG 4.14Å
293R88.3Confident90.2Very high140 Ų14049.3 Ų49.353%0.52824%0.24SC..Hα-helixtrans-69.2-26.7179.5-76-76.4168.1149.1-3.9113.5L256 C260 R289 I290 E295 E328L256-R293 HydrophobicContact CD1-CB 3.77Å; L256-R293 HydrophobicContact CD1-CG 4.2Å; C260-R293 VanDerWaalsContact SG-CB 3.54Å; R289-R293 WeakPolarHBondContact O-CB 3.5Å; R289-R293 WeakPolarHBondContact O-CG 3.49Å; R289-R293 PolarHBondContact O-N 3.41Å; R289-R293 VanDerWaalsContact O-N 3.09Å; I290-R293 PolarHBondContact O-N 3.5Å; R293-E295 PolarHBondContact O-N 3.41Å; R293-E328 IonicContact CZ-OE1 3.63Å; R293-E328 VanDerWaalsContact CZ-OE1 3.27Å; R293-E328 IonicContact NE-OE1 3.36Å; R293-E328 PolarHBondContact NE-OE1 3.35Å; R293-E328 IonicContact NH2-OE1 3.21Å; R293-E328 PolarHBondContact NH2-OE1 3.28Å
294S85.9Confident90.2Very high20 Ų2049.6 Ų49.614%0.1424%0.243CC..THydrogen-bonded Turntrans-837.9174-60.40000113.3C260 Q264 I290 L292 A296C260-S294 PolarHBondContact SG-OG 3.05Å; Q264-S294 WeakPolarHBondContact CB-OG 3.43Å; I290-S294 VanDerWaalsContact O-CB 3.31Å; I290-S294 WeakPolarHBondContact O-CB 3.49Å; I290-S294 PolarHBondContact O-N 3.01Å; I290-S294 PolarHBondContact O-OG 3.03Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 3.06Å; S294-A296 PolarHBondContact O-N 3.37Å; S294-A296 VanDerWaalsContact O-N 3.12Å
295E84.5Confident90.3Very high143 Ų14349.3 Ų49.367%0.66824%0.242SC*.THydrogen-bonded Turntrans52.134.2-177.1-60.6-178.6-174.600113.3L292 R293L292-E295 PolarHBondContact O-N 3.11Å; L292-E295 VanDerWaalsContact O-N 3.14Å; R293-E295 PolarHBondContact O-N 3.41Å
296A87.3Confident90.2Very high13 Ų1348.6 Ų48.611%0.10724%0.243CC..  trans-58.2148.5-178.900000110.8L291 S294 H300 I301L291-A296 HydrophobicContact CB-CB 4.1Å; L291-A296 HydrophobicContact CD2-CB 3.88Å; L291-A296 WeakPolarHBondContact O-CB 3.21Å; L291-A296 PolarHBondContact O-N 3.25Å; S294-A296 PolarHBondContact O-N 3.37Å; S294-A296 VanDerWaalsContact O-N 3.12Å; A296-H300 HydrophobicContact CB-CB 4.43Å; A296-I301 HydrophobicContact CB-CG1 4.4Å; A296-I301 VanDerWaalsContact O-CD1 3.25Å; A296-I301 WeakPolarHBondContact O-CD1 3.21Å
297P89.1Confident90.1Very high77 Ų7750.6 Ų50.650%0.525%0.252SS..  trans-67.8149.4179.521.2-22.7000110.7N299 H300 I301P297-N299 WeakPolarHBondContact CB-OD1 3.3Å; P297-N299 WeakPolarHBondContact CG-OD1 3.45Å; P297-N299 PolarHBondContact O-N 2.86Å; P297-N299 PolarHBondContact O-OD1 3.47Å; P297-H300 WeakPolarHBondContact CG-ND1 3.39Å; P297-H300 PolarHBondContact O-N 3.2Å; P297-I301 PolarHBondContact O-N 3.48Å
298D89.6Confident90Very high68 Ų6849 Ų4936%0.36425%0.245SC..Hα-helixtrans-53.7-26-171.2-75.77.6000114.6R302 R330 L333D298-R302 VanDerWaalsContact O-CB 3.22Å; D298-R302 WeakPolarHBondContact O-CB 3.38Å; D298-R302 PolarHBondContact O-N 3.16Å; D298-R330 IonicContact OD1-NE 3.17Å; D298-R330 PolarHBondContact OD1-NE 2.74Å; D298-L333 HydrophobicContact CB-CD1 3.87Å; D298-L333 HydrophobicContact CB-CD2 4.33Å; D298-L333 HydrophobicContact CB-CG 4.46Å; D298-L333 VanDerWaalsContact CG-CD1 3.49Å
299N90.5Very high89.8Confident92 Ų9249.8 Ų49.849%0.49225%0.249SC..Hα-helixtrans-64.4-40.417562.6-27.7000112.8P297 A303P297-N299 WeakPolarHBondContact CB-OD1 3.3Å; P297-N299 WeakPolarHBondContact CG-OD1 3.45Å; P297-N299 PolarHBondContact O-N 2.86Å; P297-N299 PolarHBondContact O-OD1 3.47Å; N299-A303 PolarHBondContact O-N 3.46Å
300H89.5Confident89.6Confident99 Ų9953.2 Ų53.246%0.45827%0.269SS..Hα-helixtrans-73.4-39.5178.5-66.583.7000111.1L291 A296 P297 A303 G304L291-H300 HydrophobicContact CD2-CB 4.31Å; A296-H300 HydrophobicContact CB-CB 4.43Å; P297-H300 WeakPolarHBondContact CG-ND1 3.39Å; P297-H300 PolarHBondContact O-N 3.2Å; H300-A303 PolarHBondContact O-N 3.15Å; H300-G304 PolarHBondContact O-N 2.93Å
301I92.3Very high89.2Confident0 Ų055.9 Ų55.90%029%0.287CS..Hα-helixtrans-62-46.4174.5-62.7165.6000109.6L288 L291 L292 A296 P297 A303 G304 L305 L325 L333L288-I301 HydrophobicContact CD1-CG2 3.89Å; L291-I301 HydrophobicContact CB-CG1 4.28Å; L292-I301 HydrophobicContact CD2-CD1 3.65Å; L292-I301 HydrophobicContact CD2-CG1 4.22Å; L292-I301 HydrophobicContact CD2-CG2 4.13Å; A296-I301 HydrophobicContact CB-CG1 4.4Å; A296-I301 VanDerWaalsContact O-CD1 3.25Å; A296-I301 WeakPolarHBondContact O-CD1 3.21Å; P297-I301 PolarHBondContact O-N 3.48Å; I301-A303 PolarHBondContact O-N 3.31Å; I301-G304 PolarHBondContact O-N 2.89Å; I301-G304 VanDerWaalsContact O-N 3.16Å; I301-L305 HydrophobicContact CG2-CD1 4Å; I301-L305 HydrophobicContact CG2-CG 4.39Å; I301-L305 VanDerWaalsContact O-CG 3.31Å; I301-L305 WeakPolarHBondContact O-CG 3.39Å; I301-L305 PolarHBondContact O-N 3.49Å; I301-L325 HydrophobicContact CG2-CD2 3.81Å; I301-L333 HydrophobicContact CB-CD1 4.27Å; I301-L333 HydrophobicContact CD1-CD1 4.45Å; I301-L333 HydrophobicContact CG2-CD1 4.01Å
302R91.8Very high88.6Confident99 Ų9963.5 Ų63.537%0.37432%0.322SS..Hα-helixtrans-58.8-45.4177.3-173.2176.7-64.1116.33.6111.9D298 G304 L305 D306D298-R302 VanDerWaalsContact O-CB 3.22Å; D298-R302 WeakPolarHBondContact O-CB 3.38Å; D298-R302 PolarHBondContact O-N 3.16Å; R302-G304 VanDerWaalsContact C-N 3.31Å; R302-G304 PolarHBondContact O-N 3.33Å; R302-L305 WeakPolarHBondContact O-CB 3.16Å; R302-L305 PolarHBondContact O-N 3.32Å; R302-L305 VanDerWaalsContact O-N 3.15Å; R302-D306 PolarHBondContact O-N 3.12Å
303A90.2Very high88.4Confident57 Ų5763.5 Ų63.547%0.47132%0.323SS..Hα-helixtrans-60.3-40.317600000112.5N299 H300 I301 L305 D306 E307N299-A303 PolarHBondContact O-N 3.46Å; H300-A303 PolarHBondContact O-N 3.15Å; I301-A303 PolarHBondContact O-N 3.31Å; A303-L305 VanDerWaalsContact C-N 3.35Å; A303-D306 PolarHBondContact O-N 3.47Å; A303-E307 WeakPolarHBondContact O-CB 3.41Å; A303-E307 PolarHBondContact O-N 3.01Å
304G89.8Confident88.4Confident6 Ų660.3 Ų60.36%0.06232%0.32CS..Hα-helixtrans-67-33.517500000113.6H300 I301 R302 L308H300-G304 PolarHBondContact O-N 2.93Å; I301-G304 PolarHBondContact O-N 2.89Å; I301-G304 VanDerWaalsContact O-N 3.16Å; R302-G304 VanDerWaalsContact C-N 3.31Å; R302-G304 PolarHBondContact O-N 3.33Å; G304-L308 WeakPolarHBondContact O-CB 3.18Å; G304-L308 PolarHBondContact O-N 3.03Å; G304-L308 VanDerWaalsContact O-N 3.11Å
305L91.9Very high88.6Confident0 Ų059.9 Ų59.90%032%0.316CS..Hα-helixtrans-70.5-39.1173.8-70.2170.5000112.1L288 I301 R302 A303 L308 L309 A321 L325 Y337L288-L305 HydrophobicContact CD1-CD2 3.81Å; L288-L305 HydrophobicContact CD1-CG 3.97Å; L288-L305 HydrophobicContact CD2-CD2 3.62Å; L288-L305 HydrophobicContact CG-CD2 4.38Å; I301-L305 HydrophobicContact CG2-CD1 4Å; I301-L305 HydrophobicContact CG2-CG 4.39Å; I301-L305 VanDerWaalsContact O-CG 3.31Å; I301-L305 WeakPolarHBondContact O-CG 3.39Å; I301-L305 PolarHBondContact O-N 3.49Å; R302-L305 WeakPolarHBondContact O-CB 3.16Å; R302-L305 PolarHBondContact O-N 3.32Å; R302-L305 VanDerWaalsContact O-N 3.15Å; A303-L305 VanDerWaalsContact C-N 3.35Å; L305-L308 WeakPolarHBondContact O-CB 3.38Å; L305-L308 PolarHBondContact O-N 3.05Å; L305-L309 PolarHBondContact O-N 2.97Å; L305-L309 VanDerWaalsContact O-N 3.08Å; L305-A321 HydrophobicContact CD2-CB 4.31Å; L305-L325 HydrophobicContact CD1-CD1 3.75Å; L305-L325 HydrophobicContact CD1-CD2 4.41Å; L305-L325 HydrophobicContact CD2-CD1 4Å; L305-Y337 HydrophobicContact CB-CD2 3.64Å; L305-Y337 HydrophobicContact CB-CE2 3.62Å; L305-Y337 HydrophobicContact CB-CG 4.35Å; L305-Y337 HydrophobicContact CD1-CD2 4.15Å; L305-Y337 HydrophobicContact CD1-CG 4.09Å; L305-Y337 HydrophobicContact CD2-CD1 3.9Å; L305-Y337 HydrophobicContact CD2-CD2 4.05Å; L305-Y337 HydrophobicContact CD2-CE1 3.88Å; L305-Y337 HydrophobicContact CD2-CE2 3.97Å; L305-Y337 HydrophobicContact CD2-CG 4.01Å; L305-Y337 HydrophobicContact CG-CD2 4.16Å; L305-Y337 HydrophobicContact CG-CE2 4.3Å; L305-Y337 HydrophobicContact CG-CG 4.38Å; L305-Y337 WeakPolarHBondContact O-CE2 3.44Å
306D90.4Very high88.9Confident51 Ų5160.4 Ų60.427%0.27332%0.318SS..Hα-helixtrans-64.7-44.6175.1-70.1-36.5000110.9R302 A303 L308 L309 E310 R340R302-D306 PolarHBondContact O-N 3.12Å; A303-D306 PolarHBondContact O-N 3.47Å; D306-L308 PolarHBondContact O-N 2.94Å; D306-L309 PolarHBondContact O-N 3.41Å; D306-L309 VanDerWaalsContact O-N 3.14Å; D306-E310 WeakPolarHBondContact O-CB 3.38Å; D306-E310 WeakPolarHBondContact O-CG 3.29Å; D306-E310 PolarHBondContact O-N 3.04Å; D306-R340 IonicContact OD1-CZ 2.76Å; D306-R340 IonicContact OD1-NH1 3.28Å; D306-R340 PolarHBondContact OD1-NH1 3.02Å; D306-R340 IonicContact OD2-NH1 3.88Å
307E89.9Confident89Confident57 Ų5761.2 Ų61.227%0.26632%0.322SS..Hα-helixtrans-58-37.8173.4-172.8-176.9-173.100112L284 K287 A303 S311L284-E307 HydrophobicContact CD2-CG 3.8Å; L284-E307 WeakPolarHBondContact CD2-OE1 3.48Å; K287-E307 IonicContact NZ-OE1 2.76Å; K287-E307 IonicContact NZ-OE2 3.21Å; K287-E307 PolarHBondContact NZ-OE2 3Å; A303-E307 WeakPolarHBondContact O-CB 3.41Å; A303-E307 PolarHBondContact O-N 3.01Å; E307-S311 VanDerWaalsContact O-CB 3.3Å; E307-S311 WeakPolarHBondContact O-CB 3.48Å; E307-S311 PolarHBondContact O-N 2.94Å; E307-S311 VanDerWaalsContact O-N 3.16Å; E307-S311 PolarHBondContact O-OG 3.43Å
308L90.6Very high89.2Confident2 Ų257.5 Ų57.51%0.0130%0.298CS..Hα-helixtrans-65.3-43.4176.5-169.271000111.6L284 G304 L305 D306 V313 V317 A321 Y337L284-L308 HydrophobicContact CB-CD1 3.67Å; L284-L308 HydrophobicContact CD1-CD1 4.31Å; G304-L308 WeakPolarHBondContact O-CB 3.18Å; G304-L308 PolarHBondContact O-N 3.03Å; G304-L308 VanDerWaalsContact O-N 3.11Å; L305-L308 WeakPolarHBondContact O-CB 3.38Å; L305-L308 PolarHBondContact O-N 3.05Å; D306-L308 PolarHBondContact O-N 2.94Å; L308-V313 HydrophobicContact CD1-CB 4.41Å; L308-V313 HydrophobicContact CD1-CG1 3.79Å; L308-V313 HydrophobicContact CD1-CG2 3.97Å; L308-V313 HydrophobicContact CG-CG1 4.38Å; L308-V313 HydrophobicContact CG-CG2 3.81Å; L308-V313 WeakPolarHBondContact O-CG1 3.32Å; L308-V313 WeakPolarHBondContact O-CG2 3.46Å; L308-V317 HydrophobicContact CD1-CG1 4.22Å; L308-A321 HydrophobicContact CD2-CB 3.85Å; L308-Y337 WeakPolarHBondContact CD2-OH 3.29Å
309L88.3Confident89.4Confident18 Ų1855.1 Ų55.19%0.09429%0.285CS..Hα-helixtrans-67.7-44.9176.8-81.2171.3000112.6L305 D306 S311 Q312 Y337 R340 V341 H344L305-L309 PolarHBondContact O-N 2.97Å; L305-L309 VanDerWaalsContact O-N 3.08Å; D306-L309 PolarHBondContact O-N 3.41Å; D306-L309 VanDerWaalsContact O-N 3.14Å; L309-S311 PolarHBondContact O-N 3.41Å; L309-Q312 PolarHBondContact O-N 2.94Å; L309-Y337 HydrophobicContact CD1-CD2 3.99Å; L309-Y337 HydrophobicContact CD1-CE2 3.4Å; L309-Y337 HydrophobicContact CD2-CE2 4.35Å; L309-Y337 HydrophobicContact CG-CE2 3.55Å; L309-R340 HydrophobicContact CD1-CB 4.05Å; L309-V341 HydrophobicContact CD2-CG2 3.93Å; L309-H344 HydrophobicContact CD2-CB 4.31Å
310E87.6Confident89.5Confident157 Ų15753.1 Ų53.173%0.73428%0.279SS*.Hα-helixtrans-63.4-29.3-179.2-72176.2-178.500112.4D306 Q312D306-E310 WeakPolarHBondContact O-CB 3.38Å; D306-E310 WeakPolarHBondContact O-CG 3.29Å; D306-E310 PolarHBondContact O-N 3.04Å; E310-Q312 PolarHBondContact O-N 3.04Å
311S84.4Confident89.7Confident56 Ų5648.4 Ų48.439%0.39226%0.257SS..THydrogen-bonded Turntrans-78.711.8-178.6-60.30000114.9L284 E307 L309 V313L284-S311 WeakPolarHBondContact CD1-OG 3.4Å; E307-S311 VanDerWaalsContact O-CB 3.3Å; E307-S311 WeakPolarHBondContact O-CB 3.48Å; E307-S311 PolarHBondContact O-N 2.94Å; E307-S311 VanDerWaalsContact O-N 3.16Å; E307-S311 PolarHBondContact O-OG 3.43Å; L309-S311 PolarHBondContact O-N 3.41Å; S311-V313 VanDerWaalsContact C-N 3.26Å; S311-V313 PolarHBondContact O-N 3.33Å
312Q78.6Confident89.8Confident172 Ų17248.4 Ų48.480%0.80426%0.257SS*.THydrogen-bonded Turntrans51.738.7179-58.8-174.910.900114.1L309 E310L309-Q312 PolarHBondContact O-N 2.94Å; E310-Q312 PolarHBondContact O-N 3.04Å
313V85.3Confident89.9Confident6 Ų649.2 Ų49.24%0.03626%0.263CS..  trans-68.2153.3179.6-54.60000111.8T281 L284 L308 S311 V317 C318T281-V313 HydrophobicContact CG2-CB 4.16Å; T281-V313 HydrophobicContact CG2-CG1 3.89Å; L284-V313 HydrophobicContact CD1-CG1 4.3Å; L308-V313 HydrophobicContact CD1-CB 4.41Å; L308-V313 HydrophobicContact CD1-CG1 3.79Å; L308-V313 HydrophobicContact CD1-CG2 3.97Å; L308-V313 HydrophobicContact CG-CG1 4.38Å; L308-V313 HydrophobicContact CG-CG2 3.81Å; L308-V313 WeakPolarHBondContact O-CG1 3.32Å; L308-V313 WeakPolarHBondContact O-CG2 3.46Å; S311-V313 VanDerWaalsContact C-N 3.26Å; S311-V313 PolarHBondContact O-N 3.33Å; V313-V317 HydrophobicContact CB-CB 4.44Å; V313-V317 HydrophobicContact CG2-CB 4.24Å; V313-V317 HydrophobicContact CG2-CG1 4.42Å; V313-C318 WeakPolarHBondContact CG2-SG 3.43Å
314P89.8Confident90Very high73 Ų7347.7 Ų47.747%0.47425%0.247SC..  trans-57.5147.2174.7-23.533.6000112.2E316 V317 C318P314-E316 PolarHBondContact O-N 3.09Å; P314-E316 VanDerWaalsContact O-N 3.17Å; P314-V317 HydrophobicContact CB-CG2 4.48Å; P314-V317 PolarHBondContact O-N 2.95Å; P314-C318 PolarHBondContact O-N 3.33Å
315L89.6Confident90.2Very high11 Ų1147.4 Ų47.46%0.05824%0.244CC..Hα-helixtrans-53.2-40.8-178.7178.561.4000112.3V317 C318 L319 V341 F345 D350 A353 A354L315-V317 PolarHBondContact O-N 3.46Å; L315-C318 WeakPolarHBondContact O-CA 3.11Å; L315-C318 WeakPolarHBondContact O-CB 3.49Å; L315-C318 PolarHBondContact O-N 2.75Å; L315-L319 HydrophobicContact CD1-CD1 4.49Å; L315-L319 HydrophobicContact CD1-CD2 4.09Å; L315-L319 HydrophobicContact CD1-CG 4.07Å; L315-L319 HydrophobicContact CD2-CD1 4.41Å; L315-L319 HydrophobicContact CG-CD1 4.05Å; L315-L319 HydrophobicContact CG-CG 4.04Å; L315-L319 WeakPolarHBondContact O-CG 3.45Å; L315-L319 PolarHBondContact O-N 3.49Å; L315-V341 HydrophobicContact CD1-CG1 3.43Å; L315-V341 VanDerWaalsContact CD1-CG1 3.43Å; L315-F345 HydrophobicContact CB-CD1 4.22Å; L315-F345 HydrophobicContact CB-CE1 3.93Å; L315-F345 HydrophobicContact CB-CZ 4.13Å; L315-F345 HydrophobicContact CD1-CD1 4.33Å; L315-F345 HydrophobicContact CD1-CD2 3.73Å; L315-F345 HydrophobicContact CD1-CE2 3.93Å; L315-F345 HydrophobicContact CD1-CG 3.95Å; L315-F345 HydrophobicContact CD1-CZ 4.31Å; L315-D350 HydrophobicContact CD2-CB 3.67Å; L315-D350 WeakPolarHBondContact CD2-O 3.43Å; L315-A353 HydrophobicContact CD2-CB 4.49Å; L315-A354 HydrophobicContact CD1-CB 4.19Å; L315-A354 HydrophobicContact CD2-CB 4.41Å
316E90Very high90.2Very high154 Ų15448 Ų4872%0.7225%0.246SC*.Hα-helixtrans-55.9-36179.6-62.3-172.5156.500113.4P314 L319 S320P314-E316 PolarHBondContact O-N 3.09Å; P314-E316 VanDerWaalsContact O-N 3.17Å; E316-L319 PolarHBondContact O-N 3.32Å; E316-S320 WeakPolarHBondContact O-CB 3.37Å; E316-S320 PolarHBondContact O-N 2.75Å; E316-S320 PolarHBondContact O-OG 2.76Å
317V90.9Very high90.2Very high30 Ų3049.5 Ų49.518%0.18226%0.261CS..Hα-helixtrans-70.3-41.2177.4-177.10000110.2Y285 L308 V313 P314 L315 S320 A321Y285-V317 HydrophobicContact CD2-CG1 4.13Å; L308-V317 HydrophobicContact CD1-CG1 4.22Å; V313-V317 HydrophobicContact CB-CB 4.44Å; V313-V317 HydrophobicContact CG2-CB 4.24Å; V313-V317 HydrophobicContact CG2-CG1 4.42Å; P314-V317 HydrophobicContact CB-CG2 4.48Å; P314-V317 PolarHBondContact O-N 2.95Å; L315-V317 PolarHBondContact O-N 3.46Å; V317-S320 WeakPolarHBondContact O-CB 3.49Å; V317-S320 PolarHBondContact O-N 3.23Å; V317-A321 PolarHBondContact O-N 2.95Å
318C92.5Very high90.1Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-61.7-43.8173.4-70.20000111.9V313 P314 L315 S320 A321 V322 Y337 V341V313-C318 WeakPolarHBondContact CG2-SG 3.43Å; P314-C318 PolarHBondContact O-N 3.33Å; L315-C318 WeakPolarHBondContact O-CA 3.11Å; L315-C318 WeakPolarHBondContact O-CB 3.49Å; L315-C318 PolarHBondContact O-N 2.75Å; C318-S320 VanDerWaalsContact C-N 3.33Å; C318-S320 PolarHBondContact O-N 2.61Å; C318-A321 WeakPolarHBondContact O-CB 3.37Å; C318-A321 PolarHBondContact O-N 3.27Å; C318-V322 WeakPolarHBondContact O-CG2 3.46Å; C318-V322 PolarHBondContact O-N 3.29Å; C318-Y337 HydrophobicContact CB-CE1 4.36Å; C318-Y337 PolarHBondContact SG-OH 3.3Å; C318-Y337 VanDerWaalsContact SG-OH 3.37Å; C318-V341 HydrophobicContact CB-CG1 4.07Å; C318-V341 HydrophobicContact CB-CG2 3.88Å
319L93.1Very high89.9Confident18 Ų1854 Ų549%0.09429%0.286CS..Hα-helixtrans-66.8-36177.2-61-173.7000111.7L315 E316 A321 V322 K323 L338 V341 A353 A354 L357L315-L319 HydrophobicContact CD1-CD1 4.49Å; L315-L319 HydrophobicContact CD1-CD2 4.09Å; L315-L319 HydrophobicContact CD1-CG 4.07Å; L315-L319 HydrophobicContact CD2-CD1 4.41Å; L315-L319 HydrophobicContact CG-CD1 4.05Å; L315-L319 HydrophobicContact CG-CG 4.04Å; L315-L319 WeakPolarHBondContact O-CG 3.45Å; L315-L319 PolarHBondContact O-N 3.49Å; E316-L319 PolarHBondContact O-N 3.32Å; L319-A321 VanDerWaalsContact C-N 3.33Å; L319-V322 WeakPolarHBondContact O-CB 3.45Å; L319-V322 PolarHBondContact O-N 3.19Å; L319-K323 WeakPolarHBondContact O-CG 3.48Å; L319-K323 PolarHBondContact O-N 2.81Å; L319-L338 HydrophobicContact CD2-CD1 3.87Å; L319-V341 HydrophobicContact CD2-CG1 4.44Å; L319-A353 HydrophobicContact CD1-CB 4.08Å; L319-A354 HydrophobicContact CD2-CB 3.81Å; L319-L357 HydrophobicContact CB-CD2 3.88Å; L319-L357 HydrophobicContact CD2-CD2 3.88Å; L319-L357 HydrophobicContact CG-CD2 4.27Å
320S93.7Very high90Very high50 Ų5056.7 Ų56.735%0.3530%0.295SS..Hα-helixtrans-63.2-39.5172.6-60.40000111.6E316 V317 C318 K323 L324E316-S320 WeakPolarHBondContact O-CB 3.37Å; E316-S320 PolarHBondContact O-N 2.75Å; E316-S320 PolarHBondContact O-OG 2.76Å; V317-S320 WeakPolarHBondContact O-CB 3.49Å; V317-S320 PolarHBondContact O-N 3.23Å; C318-S320 VanDerWaalsContact C-N 3.33Å; C318-S320 PolarHBondContact O-N 2.61Å; S320-K323 PolarHBondContact O-N 3.19Å; S320-L324 WeakPolarHBondContact O-CB 3.36Å; S320-L324 PolarHBondContact O-N 3.44Å
321A93.1Very high90.2Very high0 Ų051.2 Ų51.20%027%0.269CS..Hα-helixtrans-63.8-40174.100000112.1Y285 L288 L305 L308 V317 C318 L319 L324 L325 Y337Y285-A321 HydrophobicContact CE2-CB 4.31Å; L288-A321 HydrophobicContact CD2-CB 3.5Å; L288-A321 VanDerWaalsContact CD2-CB 3.5Å; L305-A321 HydrophobicContact CD2-CB 4.31Å; L308-A321 HydrophobicContact CD2-CB 3.85Å; V317-A321 PolarHBondContact O-N 2.95Å; C318-A321 WeakPolarHBondContact O-CB 3.37Å; C318-A321 PolarHBondContact O-N 3.27Å; L319-A321 VanDerWaalsContact C-N 3.33Å; A321-L324 PolarHBondContact O-N 3.31Å; A321-L325 WeakPolarHBondContact O-CG 3.49Å; A321-L325 PolarHBondContact O-N 3.36Å; A321-Y337 HydrophobicContact CB-CE1 4.15Å
322V94.6Very high90.5Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-60.6-47.1172.9175.40000111C318 L319 L324 L325 M326 A334 Y337 L338 L357 L361C318-V322 WeakPolarHBondContact O-CG2 3.46Å; C318-V322 PolarHBondContact O-N 3.29Å; L319-V322 WeakPolarHBondContact O-CB 3.45Å; L319-V322 PolarHBondContact O-N 3.19Å; V322-L324 VanDerWaalsContact C-N 3.31Å; V322-L324 PolarHBondContact O-N 2.86Å; V322-L325 PolarHBondContact O-N 3.45Å; V322-M326 WeakPolarHBondContact O-CG 3.39Å; V322-M326 PolarHBondContact O-N 3.2Å; V322-A334 HydrophobicContact CG1-CB 4.37Å; V322-Y337 HydrophobicContact CG2-CD1 3.61Å; V322-Y337 HydrophobicContact CG2-CE1 4.15Å; V322-L338 HydrophobicContact CG1-CB 4.2Å; V322-L338 HydrophobicContact CG1-CD2 4.26Å; V322-L338 HydrophobicContact CG2-CB 3.94Å; V322-L338 HydrophobicContact CG2-CD1 4.13Å; V322-L357 HydrophobicContact CG1-CD2 4.43Å; V322-L361 HydrophobicContact CG1-CD1 3.52Å
323K93.7Very high91.1Very high116 Ų11647.6 Ų47.650%0.50425%0.248SC..Hα-helixtrans-61.2-40.2177.4-70.9177.8179.3-176.60111.8L319 S320 M326 S327 L357L319-K323 WeakPolarHBondContact O-CG 3.48Å; L319-K323 PolarHBondContact O-N 2.81Å; S320-K323 PolarHBondContact O-N 3.19Å; K323-M326 PolarHBondContact O-N 2.72Å; K323-S327 PolarHBondContact O-N 2.97Å; K323-L357 HydrophobicContact CG-CD1 4.4Å; K323-L357 HydrophobicContact CG-CD2 4.35Å
324L93Very high91.5Very high24 Ų2447.3 Ų47.313%0.12625%0.246CC..Hα-helixtrans-62.2-47.3175.7-175.263.6000111.6Y285 R289 L292 S320 A321 V322 M326 S327 E328Y285-L324 HydrophobicContact CE2-CD2 4.42Å; R289-L324 HydrophobicContact CB-CD2 4.05Å; R289-L324 HydrophobicContact CG-CD2 4.42Å; L292-L324 HydrophobicContact CD1-CD2 3.73Å; L292-L324 HydrophobicContact CD1-CG 3.68Å; S320-L324 WeakPolarHBondContact O-CB 3.36Å; S320-L324 PolarHBondContact O-N 3.44Å; A321-L324 PolarHBondContact O-N 3.31Å; V322-L324 VanDerWaalsContact C-N 3.31Å; V322-L324 PolarHBondContact O-N 2.86Å; L324-M326 VanDerWaalsContact C-N 3.28Å; L324-M326 PolarHBondContact O-N 2.67Å; L324-S327 PolarHBondContact O-N 3.31Å; L324-S327 VanDerWaalsContact O-N 3.12Å; L324-S327 PolarHBondContact O-OG 3.15Å; L324-E328 PolarHBondContact O-N 3.3Å
325L93.2Very high91.7Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-58.5-40.7175.1-70.2164.2000112.1L292 I301 L305 A321 V322 S327 E328 D329 R330 L333 A334 Y337L292-L325 HydrophobicContact CD1-CD2 3.96Å; L292-L325 HydrophobicContact CD1-CG 4.41Å; L292-L325 HydrophobicContact CD2-CD2 3.66Å; L292-L325 HydrophobicContact CG-CD2 4.38Å; I301-L325 HydrophobicContact CG2-CD2 3.81Å; L305-L325 HydrophobicContact CD1-CD1 3.75Å; L305-L325 HydrophobicContact CD1-CD2 4.41Å; L305-L325 HydrophobicContact CD2-CD1 4Å; A321-L325 WeakPolarHBondContact O-CG 3.49Å; A321-L325 PolarHBondContact O-N 3.36Å; V322-L325 PolarHBondContact O-N 3.45Å; L325-S327 VanDerWaalsContact C-N 3.34Å; L325-E328 PolarHBondContact O-N 2.93Å; L325-D329 PolarHBondContact O-N 2.89Å; L325-R330 HydrophobicContact CB-CB 4.47Å; L325-R330 HydrophobicContact CD2-CB 4.14Å; L325-R330 PolarHBondContact O-N 3.26Å; L325-L333 HydrophobicContact CD2-CB 4.43Å; L325-A334 HydrophobicContact CB-CB 3.67Å; L325-A334 HydrophobicContact CD1-CB 4.3Å; L325-Y337 HydrophobicContact CD1-CD1 4.46Å
326M92.3Very high91.9Very high12 Ų1247.6 Ų47.66%0.05924%0.243CC..Hα-helixtrans-65-36.6176.3-72.5-65.7-177.200112.5V322 K323 L324 E328 D329 E331 A334 F335 L361 R365V322-M326 WeakPolarHBondContact O-CG 3.39Å; V322-M326 PolarHBondContact O-N 3.2Å; K323-M326 PolarHBondContact O-N 2.72Å; L324-M326 VanDerWaalsContact C-N 3.28Å; L324-M326 PolarHBondContact O-N 2.67Å; M326-E328 VanDerWaalsContact C-N 3.32Å; M326-D329 PolarHBondContact O-N 2.96Å; M326-E331 HydrophobicContact CE-CG 4.34Å; M326-E331 HydrophobicContact SD-CG 4.23Å; M326-A334 HydrophobicContact CE-CB 3.41Å; M326-A334 VanDerWaalsContact CE-CB 3.41Å; M326-A334 HydrophobicContact CG-CB 3.82Å; M326-A334 HydrophobicContact SD-CB 3.77Å; M326-F335 HydrophobicContact CE-CD1 4.13Å; M326-F335 HydrophobicContact CE-CD2 3.71Å; M326-F335 HydrophobicContact CE-CE1 3.88Å; M326-F335 HydrophobicContact CE-CE2 3.45Å; M326-F335 VanDerWaalsContact CE-CE2 3.45Å; M326-F335 HydrophobicContact CE-CG 4.04Å; M326-F335 HydrophobicContact CE-CZ 3.53Å; M326-L361 HydrophobicContact CB-CD2 4.45Å; M326-L361 HydrophobicContact CE-CB 4.14Å; M326-L361 HydrophobicContact CE-CD1 3.88Å; M326-L361 HydrophobicContact CE-CG 4.42Å; M326-L361 HydrophobicContact CG-CD1 4.01Å; M326-L361 HydrophobicContact CG-CD2 3.87Å; M326-R365 PolarHBondContact O-NH2 3.28Å
327S90.2Very high92.1Very high83 Ų8340.3 Ų40.358%0.5821%0.208SC*.Hα-helixtrans-70.3-26.317868.60000113.9K323 L324 L325 D329K323-S327 PolarHBondContact O-N 2.97Å; L324-S327 PolarHBondContact O-N 3.31Å; L324-S327 VanDerWaalsContact O-N 3.12Å; L324-S327 PolarHBondContact O-OG 3.15Å; L325-S327 VanDerWaalsContact C-N 3.34Å; S327-D329 VanDerWaalsContact C-N 3.33Å
328E88.4Confident92.2Very high46 Ų4638.9 Ų38.922%0.21520%0.2CC..THydrogen-bonded Turntrans-98.721.1178.6-57.1-71.1167.800111.8L292 R293 L324 L325 M326 R330L292-E328 HydrophobicContact CB-CG 4.26Å; R293-E328 IonicContact CZ-OE1 3.63Å; R293-E328 VanDerWaalsContact CZ-OE1 3.27Å; R293-E328 IonicContact NE-OE1 3.36Å; R293-E328 PolarHBondContact NE-OE1 3.35Å; R293-E328 IonicContact NH2-OE1 3.21Å; R293-E328 PolarHBondContact NH2-OE1 3.28Å; L324-E328 PolarHBondContact O-N 3.3Å; L325-E328 PolarHBondContact O-N 2.93Å; M326-E328 VanDerWaalsContact C-N 3.32Å; E328-R330 PolarHBondContact O-N 3.19Å; E328-R330 VanDerWaalsContact O-N 3.08Å; E328-R330 PolarHBondContact O-NH1 2.92Å
329D86.1Confident92.2Very high109 Ų10944.6 Ų44.658%0.58323%0.225SC*.THydrogen-bonded Turntrans53.926.5177.9-149.840000115.5L325 M326 S327 E331 R365L325-D329 PolarHBondContact O-N 2.89Å; M326-D329 PolarHBondContact O-N 2.96Å; S327-D329 VanDerWaalsContact C-N 3.33Å; D329-E331 VanDerWaalsContact C-N 3.26Å; D329-E331 PolarHBondContact O-N 2.68Å; D329-R365 IonicContact OD1-CZ 3.21Å; D329-R365 IonicContact OD1-NH1 2.94Å; D329-R365 PolarHBondContact OD1-NH1 3.09Å; D329-R365 IonicContact OD1-NH2 2.77Å
330R90Very high92.1Very high73 Ų7346 Ų4628%0.27523%0.229SC..  trans-90.255.7174.2-67.1-60.6-168.4-78.50.7111.4L292 D298 L325 E328 M332 L333 A334L292-R330 HydrophobicContact CD2-CG 4.14Å; D298-R330 IonicContact OD1-NE 3.17Å; D298-R330 PolarHBondContact OD1-NE 2.74Å; L325-R330 HydrophobicContact CB-CB 4.47Å; L325-R330 HydrophobicContact CD2-CB 4.14Å; L325-R330 PolarHBondContact O-N 3.26Å; E328-R330 PolarHBondContact O-N 3.19Å; E328-R330 VanDerWaalsContact O-N 3.08Å; E328-R330 PolarHBondContact O-NH1 2.92Å; R330-M332 PolarHBondContact O-N 2.99Å; R330-L333 HydrophobicContact CB-CB 4.39Å; R330-L333 HydrophobicContact CB-CD1 4.34Å; R330-L333 PolarHBondContact O-N 3.39Å; R330-A334 PolarHBondContact O-N 3.12Å
331E90.9Very high92Very high42 Ų4243.6 Ų43.620%0.19621%0.212CC..Hα-helixtrans-57.9-46.5-170.1-172.8-177.8155.900113.7M326 D329 L333 A334 F335 K367M326-E331 HydrophobicContact CE-CG 4.34Å; M326-E331 HydrophobicContact SD-CG 4.23Å; D329-E331 VanDerWaalsContact C-N 3.26Å; D329-E331 PolarHBondContact O-N 2.68Å; E331-L333 PolarHBondContact O-N 3.22Å; E331-A334 WeakPolarHBondContact O-CB 3.4Å; E331-A334 PolarHBondContact O-N 3.34Å; E331-F335 HydrophobicContact CG-CD2 3.71Å; E331-F335 HydrophobicContact CG-CE2 3.51Å; E331-F335 WeakPolarHBondContact O-CD2 3.49Å; E331-F335 PolarHBondContact O-N 3.37Å; E331-F335 WeakPolarHBondContact OE1-CE2 3.47Å; E331-K367 WeakPolarHBondContact OE1-CE 3.48Å; E331-K367 IonicContact OE1-NZ 3.82Å; E331-K367 PolarHBondContact OE1-NZ 3.37Å
332M91.1Very high91.9Very high148 Ų14844.3 Ų44.373%0.72922%0.217SC*.Hα-helixtrans-62.7-41.7-178.7-71.5-63.4-6800112.2R330 D336R330-M332 PolarHBondContact O-N 2.99Å; M332-D336 WeakPolarHBondContact O-CB 3.44Å; M332-D336 PolarHBondContact O-N 3.31Å; M332-D336 VanDerWaalsContact O-N 3.09Å
333L92.4Very high91.7Very high4 Ų450.5 Ų50.52%0.02125%0.246CC..Hα-helixtrans-66.6-40.1175.8-72.7179000111.5D298 I301 L325 R330 E331 D336 Y337D298-L333 HydrophobicContact CB-CD1 3.87Å; D298-L333 HydrophobicContact CB-CD2 4.33Å; D298-L333 HydrophobicContact CB-CG 4.46Å; D298-L333 VanDerWaalsContact CG-CD1 3.49Å; I301-L333 HydrophobicContact CB-CD1 4.27Å; I301-L333 HydrophobicContact CD1-CD1 4.45Å; I301-L333 HydrophobicContact CG2-CD1 4.01Å; L325-L333 HydrophobicContact CD2-CB 4.43Å; R330-L333 HydrophobicContact CB-CB 4.39Å; R330-L333 HydrophobicContact CB-CD1 4.34Å; R330-L333 PolarHBondContact O-N 3.39Å; E331-L333 PolarHBondContact O-N 3.22Å; L333-D336 PolarHBondContact O-N 3.41Å; L333-Y337 WeakPolarHBondContact O-CB 2.82Å; L333-Y337 PolarHBondContact O-N 3.19Å
334A93.7Very high91.5Very high0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-61.9-46.8179.400000112.1V322 L325 M326 R330 E331 L338V322-A334 HydrophobicContact CG1-CB 4.37Å; L325-A334 HydrophobicContact CB-CB 3.67Å; L325-A334 HydrophobicContact CD1-CB 4.3Å; M326-A334 HydrophobicContact CE-CB 3.41Å; M326-A334 VanDerWaalsContact CE-CB 3.41Å; M326-A334 HydrophobicContact CG-CB 3.82Å; M326-A334 HydrophobicContact SD-CB 3.77Å; R330-A334 PolarHBondContact O-N 3.12Å; E331-A334 WeakPolarHBondContact O-CB 3.4Å; E331-A334 PolarHBondContact O-N 3.34Å; A334-L338 VanDerWaalsContact O-CB 3.26Å; A334-L338 WeakPolarHBondContact O-CB 3.49Å; A334-L338 PolarHBondContact O-N 2.82Å
335F93.4Very high91.2Very high25 Ų2550 Ų5011%0.1124%0.244CC..Hα-helixtrans-68.9-40.2177.8-77.4-61.7000113M326 E331 L338 K339 H358 L361 L362 K367M326-F335 HydrophobicContact CE-CD1 4.13Å; M326-F335 HydrophobicContact CE-CD2 3.71Å; M326-F335 HydrophobicContact CE-CE1 3.88Å; M326-F335 HydrophobicContact CE-CE2 3.45Å; M326-F335 VanDerWaalsContact CE-CE2 3.45Å; M326-F335 HydrophobicContact CE-CG 4.04Å; M326-F335 HydrophobicContact CE-CZ 3.53Å; E331-F335 HydrophobicContact CG-CD2 3.71Å; E331-F335 HydrophobicContact CG-CE2 3.51Å; E331-F335 WeakPolarHBondContact O-CD2 3.49Å; E331-F335 PolarHBondContact O-N 3.37Å; E331-F335 WeakPolarHBondContact OE1-CE2 3.47Å; F335-L338 PolarHBondContact O-N 2.75Å; F335-K339 WeakPolarHBondContact O-CB 3.5Å; F335-K339 PolarHBondContact O-N 3.11Å; F335-H358 AromaticContact CD1-NE2 3.89Å; F335-L361 HydrophobicContact CE1-CB 4Å; F335-L361 HydrophobicContact CZ-CB 4.1Å; F335-L362 HydrophobicContact CD1-CD2 4.24Å; F335-L362 HydrophobicContact CE1-CD2 3.56Å; F335-L362 HydrophobicContact CE1-CG 3.73Å; F335-L362 HydrophobicContact CE2-CD2 4.42Å; F335-L362 HydrophobicContact CZ-CD2 3.66Å; F335-L362 HydrophobicContact CZ-CG 4.1Å; F335-K367 HydrophobicContact CE2-CD 4.46Å
336D93Very high90.8Very high66 Ų6651 Ų5135%0.35326%0.255SS..Hα-helixtrans-64.1-42.2176.3179.958.8000111.7M332 L333 K339 R340M332-D336 WeakPolarHBondContact O-CB 3.44Å; M332-D336 PolarHBondContact O-N 3.31Å; M332-D336 VanDerWaalsContact O-N 3.09Å; L333-D336 PolarHBondContact O-N 3.41Å; D336-K339 PolarHBondContact O-N 3.29Å; D336-R340 PolarHBondContact O-N 3.27Å; D336-R340 VanDerWaalsContact O-N 3.16Å; D336-R340 IonicContact OD2-CZ 3.66Å; D336-R340 VanDerWaalsContact OD2-CZ 3.31Å; D336-R340 IonicContact OD2-NE 3.61Å; D336-R340 PolarHBondContact OD2-NE 3.14Å; D336-R340 IonicContact OD2-NH2 2.62Å; D336-R340 PolarHBondContact OD2-NH2 2.77Å
337Y94.2Very high90.3Very high0 Ų056.7 Ų56.70%030%0.295CS..Hα-helixtrans-65.8-46.6174.7-175.4-115.6000111.8L305 L308 L309 C318 A321 V322 L325 L333 K339 R340 V341L305-Y337 HydrophobicContact CB-CD2 3.64Å; L305-Y337 HydrophobicContact CB-CE2 3.62Å; L305-Y337 HydrophobicContact CB-CG 4.35Å; L305-Y337 HydrophobicContact CD1-CD2 4.15Å; L305-Y337 HydrophobicContact CD1-CG 4.09Å; L305-Y337 HydrophobicContact CD2-CD1 3.9Å; L305-Y337 HydrophobicContact CD2-CD2 4.05Å; L305-Y337 HydrophobicContact CD2-CE1 3.88Å; L305-Y337 HydrophobicContact CD2-CE2 3.97Å; L305-Y337 HydrophobicContact CD2-CG 4.01Å; L305-Y337 HydrophobicContact CG-CD2 4.16Å; L305-Y337 HydrophobicContact CG-CE2 4.3Å; L305-Y337 HydrophobicContact CG-CG 4.38Å; L305-Y337 WeakPolarHBondContact O-CE2 3.44Å; L308-Y337 WeakPolarHBondContact CD2-OH 3.29Å; L309-Y337 HydrophobicContact CD1-CD2 3.99Å; L309-Y337 HydrophobicContact CD1-CE2 3.4Å; L309-Y337 HydrophobicContact CD2-CE2 4.35Å; L309-Y337 HydrophobicContact CG-CE2 3.55Å; C318-Y337 HydrophobicContact CB-CE1 4.36Å; C318-Y337 PolarHBondContact SG-OH 3.3Å; C318-Y337 VanDerWaalsContact SG-OH 3.37Å; A321-Y337 HydrophobicContact CB-CE1 4.15Å; V322-Y337 HydrophobicContact CG2-CD1 3.61Å; V322-Y337 HydrophobicContact CG2-CE1 4.15Å; L325-Y337 HydrophobicContact CD1-CD1 4.46Å; L333-Y337 WeakPolarHBondContact O-CB 2.82Å; L333-Y337 PolarHBondContact O-N 3.19Å; Y337-K339 VanDerWaalsContact C-N 3.26Å; Y337-K339 PolarHBondContact O-N 3.35Å; Y337-R340 CarbonylContact O-C 3.52Å; Y337-R340 WeakPolarHBondContact O-CA 3.26Å; Y337-R340 WeakPolarHBondContact O-CB 3.48Å; Y337-R340 PolarHBondContact O-N 2.94Å; Y337-V341 HydrophobicContact CD1-CG2 4Å; Y337-V341 HydrophobicContact CE1-CG2 3.64Å; Y337-V341 HydrophobicContact CE2-CG2 4.23Å; Y337-V341 HydrophobicContact CG-CG2 4.41Å; Y337-V341 WeakPolarHBondContact O-CG2 3.47Å; Y337-V341 PolarHBondContact O-N 3.35Å
338L93.6Very high90Very high0 Ų054.3 Ų54.30%028%0.278CS..Hα-helixtrans-60.4-36.4177.5-177.359.4000112.1L319 V322 A334 F335 V341 C342 A354 H358 L361L319-L338 HydrophobicContact CD2-CD1 3.87Å; V322-L338 HydrophobicContact CG1-CB 4.2Å; V322-L338 HydrophobicContact CG1-CD2 4.26Å; V322-L338 HydrophobicContact CG2-CB 3.94Å; V322-L338 HydrophobicContact CG2-CD1 4.13Å; A334-L338 VanDerWaalsContact O-CB 3.26Å; A334-L338 WeakPolarHBondContact O-CB 3.49Å; A334-L338 PolarHBondContact O-N 2.82Å; F335-L338 PolarHBondContact O-N 2.75Å; L338-V341 PolarHBondContact O-N 3.47Å; L338-C342 PolarHBondContact O-N 3.29Å; L338-C342 PolarHBondContact O-SG 3.13Å; L338-A354 HydrophobicContact CD1-CB 4.4Å; L338-H358 VanDerWaalsContact CD2-CA 3.45Å; L338-H358 HydrophobicContact CD2-CB 3.55Å; L338-H358 HydrophobicContact CG-CB 4.3Å; L338-L361 HydrophobicContact CD2-CD1 4.25Å
339K92.3Very high89.6Confident120 Ų12056.7 Ų56.752%0.52230%0.298SS..Hα-helixtrans-61.5-45.2173.1-175-179.3178.8-177.90111.5F335 D336 Y337 C342 Q343F335-K339 WeakPolarHBondContact O-CB 3.5Å; F335-K339 PolarHBondContact O-N 3.11Å; D336-K339 PolarHBondContact O-N 3.29Å; Y337-K339 VanDerWaalsContact C-N 3.26Å; Y337-K339 PolarHBondContact O-N 3.35Å; K339-C342 PolarHBondContact O-N 3.42Å; K339-Q343 WeakPolarHBondContact O-CG 3.47Å; K339-Q343 PolarHBondContact O-N 3.42Å; K339-Q343 VanDerWaalsContact O-N 3.1Å
340R91.9Very high89.4Confident48 Ų4855.8 Ų55.818%0.18129%0.293CS..Hα-helixtrans-64.1-40.9175.2-74.6-177.6-86.3165.30.5112.1D306 L309 D336 Y337 Q343 H344D306-R340 IonicContact OD1-CZ 2.76Å; D306-R340 IonicContact OD1-NH1 3.28Å; D306-R340 PolarHBondContact OD1-NH1 3.02Å; D306-R340 IonicContact OD2-NH1 3.88Å; L309-R340 HydrophobicContact CD1-CB 4.05Å; D336-R340 PolarHBondContact O-N 3.27Å; D336-R340 VanDerWaalsContact O-N 3.16Å; D336-R340 IonicContact OD2-CZ 3.66Å; D336-R340 VanDerWaalsContact OD2-CZ 3.31Å; D336-R340 IonicContact OD2-NE 3.61Å; D336-R340 PolarHBondContact OD2-NE 3.14Å; D336-R340 IonicContact OD2-NH2 2.62Å; D336-R340 PolarHBondContact OD2-NH2 2.77Å; Y337-R340 CarbonylContact O-C 3.52Å; Y337-R340 WeakPolarHBondContact O-CA 3.26Å; Y337-R340 WeakPolarHBondContact O-CB 3.48Å; Y337-R340 PolarHBondContact O-N 2.94Å; R340-Q343 WeakPolarHBondContact O-CB 3.4Å; R340-Q343 PolarHBondContact O-N 3.29Å; R340-H344 WeakPolarHBondContact O-CB 3.42Å; R340-H344 PolarHBondContact O-N 3.16Å
341V91.9Very high89.3Confident0 Ų053.1 Ų53.10%028%0.284CS..Hα-helixtrans-58-50172.9173.30000110.3L309 L315 C318 L319 Y337 L338 Q343 H344 F345L309-V341 HydrophobicContact CD2-CG2 3.93Å; L315-V341 HydrophobicContact CD1-CG1 3.43Å; L315-V341 VanDerWaalsContact CD1-CG1 3.43Å; C318-V341 HydrophobicContact CB-CG1 4.07Å; C318-V341 HydrophobicContact CB-CG2 3.88Å; L319-V341 HydrophobicContact CD2-CG1 4.44Å; Y337-V341 HydrophobicContact CD1-CG2 4Å; Y337-V341 HydrophobicContact CE1-CG2 3.64Å; Y337-V341 HydrophobicContact CE2-CG2 4.23Å; Y337-V341 HydrophobicContact CG-CG2 4.41Å; Y337-V341 WeakPolarHBondContact O-CG2 3.47Å; Y337-V341 PolarHBondContact O-N 3.35Å; L338-V341 PolarHBondContact O-N 3.47Å; V341-Q343 PolarHBondContact O-N 2.86Å; V341-H344 PolarHBondContact O-N 3.27Å; V341-F345 HydrophobicContact CG1-CD2 3.82Å; V341-F345 HydrophobicContact CG1-CE2 4.15Å; V341-F345 WeakPolarHBondContact O-CD2 3.43Å; V341-F345 PolarHBondContact O-N 3.13Å
342C90.1Very high89.1Confident15 Ų1551.3 Ų51.310%0.10128%0.277CS..Hα-helixtrans-60.8-31.9177.9-69.60000113.3L338 K339 G346 L351L338-C342 PolarHBondContact O-N 3.29Å; L338-C342 PolarHBondContact O-SG 3.13Å; K339-C342 PolarHBondContact O-N 3.42Å; C342-G346 WeakPolarHBondContact O-CA 3.2Å; C342-G346 PolarHBondContact O-N 3.01Å; C342-L351 HydrophobicContact CB-CD1 4.11Å; C342-L351 WeakPolarHBondContact O-CD1 3.42Å
343Q89.9Confident89.1Confident129 Ų12946.3 Ų46.360%0.60326%0.259SS*.Hα-helixtrans-72-46174.6-70.8169.4-11.600111.4K339 R340 V341 F345 G346K339-Q343 WeakPolarHBondContact O-CG 3.47Å; K339-Q343 PolarHBondContact O-N 3.42Å; K339-Q343 VanDerWaalsContact O-N 3.1Å; R340-Q343 WeakPolarHBondContact O-CB 3.4Å; R340-Q343 PolarHBondContact O-N 3.29Å; V341-Q343 PolarHBondContact O-N 2.86Å; Q343-F345 PolarHBondContact O-N 2.9Å; Q343-G346 PolarHBondContact O-N 3.45Å
344H89.1Confident89.1Confident102 Ų10246.1 Ų46.147%0.47226%0.258SS..Hα-helixtrans-61.6-42.9179.7-175.4-95.6000112L309 R340 V341 G346L309-H344 HydrophobicContact CD2-CB 4.31Å; R340-H344 WeakPolarHBondContact O-CB 3.42Å; R340-H344 PolarHBondContact O-N 3.16Å; V341-H344 PolarHBondContact O-N 3.27Å; H344-G346 VanDerWaalsContact C-N 3.28Å; H344-G346 PolarHBondContact O-N 3.36Å
345F87.8Confident89Confident29 Ų2947.3 Ų47.313%0.12726%0.264CS..THydrogen-bonded Turntrans-89.917178.2-69-90.3000113.1L315 V341 Q343 S347 S348 L351L315-F345 HydrophobicContact CB-CD1 4.22Å; L315-F345 HydrophobicContact CB-CE1 3.93Å; L315-F345 HydrophobicContact CB-CZ 4.13Å; L315-F345 HydrophobicContact CD1-CD1 4.33Å; L315-F345 HydrophobicContact CD1-CD2 3.73Å; L315-F345 HydrophobicContact CD1-CE2 3.93Å; L315-F345 HydrophobicContact CD1-CG 3.95Å; L315-F345 HydrophobicContact CD1-CZ 4.31Å; V341-F345 HydrophobicContact CG1-CD2 3.82Å; V341-F345 HydrophobicContact CG1-CE2 4.15Å; V341-F345 WeakPolarHBondContact O-CD2 3.43Å; V341-F345 PolarHBondContact O-N 3.13Å; Q343-F345 PolarHBondContact O-N 2.9Å; F345-S347 PolarHBondContact O-N 3.32Å; F345-S348 WeakPolarHBondContact O-CB 3.27Å; F345-S348 PolarHBondContact O-N 3.31Å; F345-L351 HydrophobicContact CB-CD1 4.45Å
346G83.9Confident89Confident21 Ų2146.4 Ų46.422%0.21626%0.261CS..THydrogen-bonded Turntrans-58.3-22.8-172.700000115.9C342 Q343 H344C342-G346 WeakPolarHBondContact O-CA 3.2Å; C342-G346 PolarHBondContact O-N 3.01Å; Q343-G346 PolarHBondContact O-N 3.45Å; H344-G346 VanDerWaalsContact C-N 3.28Å; H344-G346 PolarHBondContact O-N 3.36Å
347S81.9Confident89Confident131 Ų13143.6 Ų43.692%0.91625%0.246SC*.THydrogen-bonded Turntrans-105.1-0.4177.4-52.40000113.4F345F345-S347 PolarHBondContact O-N 3.32Å
348S84.5Confident89Confident32 Ų3244.8 Ų44.822%0.22425%0.251CS..SBendtrans-83.5141.8-179.5179.80000111F345 D350 L351F345-S348 WeakPolarHBondContact O-CB 3.27Å; F345-S348 PolarHBondContact O-N 3.31Å; S348-D350 PolarHBondContact O-N 2.93Å; S348-D350 PolarHBondContact OG-N 3.09Å; S348-L351 WeakPolarHBondContact O-CB 3.44Å; S348-L351 PolarHBondContact O-N 2.9Å
349P79.6Confident89.1Confident96 Ų9644.8 Ų44.862%0.62325%0.251SS*.THydrogen-bonded Turntrans-60.8-25.3170.127.1-35.5000112.6L351P349-L351 PolarHBondContact O-N 3.29Å
350D82.7Confident89.2Confident91 Ų9142.2 Ų42.249%0.48724%0.241SC..THydrogen-bonded Turntrans-80.5-4.1-176.5-54.4-38.2000113.3L315 S348 G352 A353L315-D350 HydrophobicContact CD2-CB 3.67Å; L315-D350 WeakPolarHBondContact CD2-O 3.43Å; S348-D350 PolarHBondContact O-N 2.93Å; S348-D350 PolarHBondContact OG-N 3.09Å; D350-G352 PolarHBondContact O-N 2.97Å; D350-A353 PolarHBondContact O-N 3.41Å; D350-A353 VanDerWaalsContact O-N 3.08Å
351L87.9Confident89.3Confident16 Ų1640.2 Ų40.28%0.08423%0.234CC..Hα-helixtrans-51.8-31.2178.6179.363.4000112.5C342 F345 S348 P349 A353 A354 L355C342-L351 HydrophobicContact CB-CD1 4.11Å; C342-L351 WeakPolarHBondContact O-CD1 3.42Å; F345-L351 HydrophobicContact CB-CD1 4.45Å; S348-L351 WeakPolarHBondContact O-CB 3.44Å; S348-L351 PolarHBondContact O-N 2.9Å; P349-L351 PolarHBondContact O-N 3.29Å; L351-A353 VanDerWaalsContact C-N 3.29Å; L351-A353 PolarHBondContact O-N 2.98Å; L351-A354 WeakPolarHBondContact O-CB 3.49Å; L351-A354 PolarHBondContact O-N 3.14Å; L351-A354 VanDerWaalsContact O-N 3.12Å; L351-L355 HydrophobicContact CD1-CG 4.33Å; L351-L355 HydrophobicContact CD2-CD1 4.15Å; L351-L355 HydrophobicContact CG-CD1 3.85Å; L351-L355 HydrophobicContact CG-CG 4.09Å; L351-L355 WeakPolarHBondContact O-CG 3.41Å; L351-L355 PolarHBondContact O-N 3.07Å
352G87.1Confident89.4Confident5 Ų540.6 Ų40.65%0.05224%0.236CC..Hα-helixtrans-53.2-43.417800000113.3D350 A354 L355 V356 L388D350-G352 PolarHBondContact O-N 2.97Å; G352-A354 VanDerWaalsContact C-N 3.31Å; G352-A354 PolarHBondContact O-N 3.25Å; G352-L355 PolarHBondContact O-N 3.03Å; G352-V356 VanDerWaalsContact O-CG2 3.29Å; G352-V356 WeakPolarHBondContact O-CG2 3.37Å; G352-V356 PolarHBondContact O-N 3.14Å; G352-L388 VanDerWaalsContact CA-CD2 3.44Å
353A90.7Very high89.5Confident42 Ų4241 Ų4135%0.34724%0.237SC..Hα-helixtrans-63.4-37.7179.700000112.3L315 L319 D350 L351 L357 S392L315-A353 HydrophobicContact CD2-CB 4.49Å; L319-A353 HydrophobicContact CD1-CB 4.08Å; D350-A353 PolarHBondContact O-N 3.41Å; D350-A353 VanDerWaalsContact O-N 3.08Å; L351-A353 VanDerWaalsContact C-N 3.29Å; L351-A353 PolarHBondContact O-N 2.98Å; A353-L357 WeakPolarHBondContact O-CB 3.44Å; A353-L357 PolarHBondContact O-N 3.04Å; A353-S392 PolarHBondContact N-OG 3.38Å
354A91.7Very high89.6Confident0 Ų040.4 Ų40.40%023%0.234CC..Hα-helixtrans-69.4-40.2176.900000112.2L315 L319 L338 L351 G352 H358L315-A354 HydrophobicContact CD1-CB 4.19Å; L315-A354 HydrophobicContact CD2-CB 4.41Å; L319-A354 HydrophobicContact CD2-CB 3.81Å; L338-A354 HydrophobicContact CD1-CB 4.4Å; L351-A354 WeakPolarHBondContact O-CB 3.49Å; L351-A354 PolarHBondContact O-N 3.14Å; L351-A354 VanDerWaalsContact O-N 3.12Å; G352-A354 VanDerWaalsContact C-N 3.31Å; G352-A354 PolarHBondContact O-N 3.25Å; A354-H358 WeakPolarHBondContact O-CB 3.38Å; A354-H358 PolarHBondContact O-N 2.98Å
355L92Very high89.7Confident25 Ų2539.5 Ų39.513%0.13123%0.227CC..Hα-helixtrans-66.3-42.6177.6-68.6172.6000111.7L351 G352 H358 V359 I378L351-L355 HydrophobicContact CD1-CG 4.33Å; L351-L355 HydrophobicContact CD2-CD1 4.15Å; L351-L355 HydrophobicContact CG-CD1 3.85Å; L351-L355 HydrophobicContact CG-CG 4.09Å; L351-L355 WeakPolarHBondContact O-CG 3.41Å; L351-L355 PolarHBondContact O-N 3.07Å; G352-L355 PolarHBondContact O-N 3.03Å; L355-H358 VanDerWaalsContact O-CB 3.31Å; L355-H358 WeakPolarHBondContact O-CB 3.46Å; L355-H358 PolarHBondContact O-N 3.2Å; L355-V359 PolarHBondContact O-N 3.05Å; L355-V359 VanDerWaalsContact O-N 3.17Å; L355-I378 HydrophobicContact CB-CD1 3.9Å; L355-I378 HydrophobicContact CB-CG1 4.12Å; L355-I378 HydrophobicContact CD1-CG1 4.27Å; L355-I378 HydrophobicContact CD2-CG1 4.34Å; L355-I378 HydrophobicContact CG-CG1 4.48Å
356V92.9Very high89.8Confident6 Ų645.2 Ų45.24%0.03626%0.259CS..Hα-helixtrans-64.4-46176.81730000110.9G352 H358 V359 E360 I395 M396 I399G352-V356 VanDerWaalsContact O-CG2 3.29Å; G352-V356 WeakPolarHBondContact O-CG2 3.37Å; G352-V356 PolarHBondContact O-N 3.14Å; V356-H358 PolarHBondContact O-N 2.82Å; V356-V359 PolarHBondContact O-N 3.39Å; V356-V359 VanDerWaalsContact O-N 3.16Å; V356-E360 PolarHBondContact O-N 3.47Å; V356-I395 HydrophobicContact CG1-CB 4.15Å; V356-I395 HydrophobicContact CG1-CG2 3.55Å; V356-M396 HydrophobicContact CG2-CB 4.19Å; V356-M396 HydrophobicContact CG2-SD 4.22Å; V356-I399 HydrophobicContact CG1-CD1 3.71Å
357L93.8Very high90.1Very high8 Ų847.3 Ų47.34%0.04226%0.262CS..Hα-helixtrans-59.9-35.7174.8-177.164.7000111.9L319 V322 K323 A353 E360 L361L319-L357 HydrophobicContact CB-CD2 3.88Å; L319-L357 HydrophobicContact CD2-CD2 3.88Å; L319-L357 HydrophobicContact CG-CD2 4.27Å; V322-L357 HydrophobicContact CG1-CD2 4.43Å; K323-L357 HydrophobicContact CG-CD1 4.4Å; K323-L357 HydrophobicContact CG-CD2 4.35Å; A353-L357 WeakPolarHBondContact O-CB 3.44Å; A353-L357 PolarHBondContact O-N 3.04Å; L357-E360 PolarHBondContact O-N 3.1Å; L357-L361 HydrophobicContact CD1-CD1 4.16Å; L357-L361 HydrophobicContact CD1-CD2 4.49Å; L357-L361 HydrophobicContact CD1-CG 4.04Å; L357-L361 HydrophobicContact CD2-CD1 4.4Å; L357-L361 HydrophobicContact CG-CD1 3.89Å; L357-L361 HydrophobicContact CG-CG 4.2Å; L357-L361 WeakPolarHBondContact O-CB 3.3Å; L357-L361 VanDerWaalsContact O-CG 3.25Å; L357-L361 WeakPolarHBondContact O-CG 3.45Å; L357-L361 PolarHBondContact O-N 2.91Å
358H94.1Very high90.6Very high25 Ų2543.6 Ų43.612%0.11623%0.23CC..Hα-helixtrans-60.5-48.1176.2-159.3139.9000111.2F335 L338 A354 L355 V356 L361 L362F335-H358 AromaticContact CD1-NE2 3.89Å; L338-H358 VanDerWaalsContact CD2-CA 3.45Å; L338-H358 HydrophobicContact CD2-CB 3.55Å; L338-H358 HydrophobicContact CG-CB 4.3Å; A354-H358 WeakPolarHBondContact O-CB 3.38Å; A354-H358 PolarHBondContact O-N 2.98Å; L355-H358 VanDerWaalsContact O-CB 3.31Å; L355-H358 WeakPolarHBondContact O-CB 3.46Å; L355-H358 PolarHBondContact O-N 3.2Å; V356-H358 PolarHBondContact O-N 2.82Å; H358-L361 PolarHBondContact O-N 3.02Å; H358-L362 VanDerWaalsContact CD2-CD1 3.48Å; H358-L362 WeakPolarHBondContact CD2-CD1 3.38Å; H358-L362 WeakPolarHBondContact O-CG 3.47Å; H358-L362 PolarHBondContact O-N 3.29Å
359V94.6Very high90.9Very high0 Ų048.1 Ų48.10%025%0.251CS..Hα-helixtrans-62.2-46.9177.1174.70000110.6L355 V356 L361 L362 L363 K374 I375 I378 M396 I399L355-V359 PolarHBondContact O-N 3.05Å; L355-V359 VanDerWaalsContact O-N 3.17Å; V356-V359 PolarHBondContact O-N 3.39Å; V356-V359 VanDerWaalsContact O-N 3.16Å; V359-L361 PolarHBondContact O-N 3.32Å; V359-L362 PolarHBondContact O-N 3.43Å; V359-L363 HydrophobicContact CG1-CD1 4Å; V359-L363 HydrophobicContact CG1-CG 4.47Å; V359-L363 WeakPolarHBondContact O-CG 3.48Å; V359-L363 PolarHBondContact O-N 3Å; V359-K374 HydrophobicContact CG2-CB 4.36Å; V359-K374 HydrophobicContact CG2-CG 3.94Å; V359-I375 HydrophobicContact CG1-CD1 3.85Å; V359-I375 HydrophobicContact CG1-CG1 3.81Å; V359-I375 HydrophobicContact CG2-CG1 3.86Å; V359-I378 HydrophobicContact CG2-CD1 3.6Å; V359-M396 HydrophobicContact CG1-CE 4.35Å; V359-M396 HydrophobicContact CG2-CE 4.32Å; V359-I399 HydrophobicContact CG1-CG2 4.41Å
360E94.6Very high91.6Very high66 Ų6647.5 Ų47.531%0.30824%0.242SC..Hα-helixtrans-54.9-49.5178.6-169.4-171.5168.700111.7V356 L357 L362 L363 Q364 I399V356-E360 PolarHBondContact O-N 3.47Å; L357-E360 PolarHBondContact O-N 3.1Å; E360-L362 PolarHBondContact O-N 3.41Å; E360-L363 PolarHBondContact O-N 3.29Å; E360-Q364 WeakPolarHBondContact O-CG 3.43Å; E360-Q364 PolarHBondContact O-N 3.39Å; E360-Q364 PolarHBondContact OE1-NE2 2.83Å; E360-Q364 VanDerWaalsContact OE1-NE2 3.14Å; E360-I399 HydrophobicContact CB-CD1 3.98Å; E360-I399 HydrophobicContact CG-CD1 4.27Å
361L93.9Very high92.1Very high6 Ų643.1 Ų43.13%0.03122%0.219CC..Hα-helixtrans-67.5-36.4-179.1-69.2175.7000112.9V322 M326 F335 L338 L357 H358 V359 L363 Q364 R365V322-L361 HydrophobicContact CG1-CD1 3.52Å; M326-L361 HydrophobicContact CB-CD2 4.45Å; M326-L361 HydrophobicContact CE-CB 4.14Å; M326-L361 HydrophobicContact CE-CD1 3.88Å; M326-L361 HydrophobicContact CE-CG 4.42Å; M326-L361 HydrophobicContact CG-CD1 4.01Å; M326-L361 HydrophobicContact CG-CD2 3.87Å; F335-L361 HydrophobicContact CE1-CB 4Å; F335-L361 HydrophobicContact CZ-CB 4.1Å; L338-L361 HydrophobicContact CD2-CD1 4.25Å; L357-L361 HydrophobicContact CD1-CD1 4.16Å; L357-L361 HydrophobicContact CD1-CD2 4.49Å; L357-L361 HydrophobicContact CD1-CG 4.04Å; L357-L361 HydrophobicContact CD2-CD1 4.4Å; L357-L361 HydrophobicContact CG-CD1 3.89Å; L357-L361 HydrophobicContact CG-CG 4.2Å; L357-L361 WeakPolarHBondContact O-CB 3.3Å; L357-L361 VanDerWaalsContact O-CG 3.25Å; L357-L361 WeakPolarHBondContact O-CG 3.45Å; L357-L361 PolarHBondContact O-N 2.91Å; H358-L361 PolarHBondContact O-N 3.02Å; V359-L361 PolarHBondContact O-N 3.32Å; L361-L363 VanDerWaalsContact C-N 3.33Å; L361-Q364 PolarHBondContact O-N 3.03Å; L361-R365 WeakPolarHBondContact O-CG 3.47Å; L361-R365 PolarHBondContact O-N 3.5Å; L361-R365 VanDerWaalsContact O-N 3.13Å
362L94.2Very high92.4Very high8 Ų843.6 Ų43.64%0.04222%0.22CC..Hα-helixtrans-62.6-42.3174.1-73.8170.4000111F335 H358 V359 E360 R365 N366 K367 L370 A371 K374F335-L362 HydrophobicContact CD1-CD2 4.24Å; F335-L362 HydrophobicContact CE1-CD2 3.56Å; F335-L362 HydrophobicContact CE1-CG 3.73Å; F335-L362 HydrophobicContact CE2-CD2 4.42Å; F335-L362 HydrophobicContact CZ-CD2 3.66Å; F335-L362 HydrophobicContact CZ-CG 4.1Å; H358-L362 VanDerWaalsContact CD2-CD1 3.48Å; H358-L362 WeakPolarHBondContact CD2-CD1 3.38Å; H358-L362 WeakPolarHBondContact O-CG 3.47Å; H358-L362 PolarHBondContact O-N 3.29Å; V359-L362 PolarHBondContact O-N 3.43Å; E360-L362 PolarHBondContact O-N 3.41Å; L362-R365 PolarHBondContact O-N 3.37Å; L362-N366 PolarHBondContact O-N 3.26Å; L362-K367 HydrophobicContact CB-CB 4.42Å; L362-K367 HydrophobicContact CD2-CB 3.96Å; L362-K367 HydrophobicContact CD2-CD 4.09Å; L362-K367 WeakPolarHBondContact O-CB 3.3Å; L362-K367 PolarHBondContact O-N 3.48Å; L362-L370 HydrophobicContact CD1-CB 4.19Å; L362-L370 HydrophobicContact CD2-CB 4Å; L362-L370 HydrophobicContact CD2-CD1 4.34Å; L362-A371 HydrophobicContact CB-CB 3.86Å; L362-A371 HydrophobicContact CD1-CB 4.4Å; L362-K374 HydrophobicContact CD1-CB 4.23Å
363L93.4Very high92.7Very high23 Ų2347.8 Ų47.812%0.1224%0.238CC..Hα-helixtrans-67.3-43.7177.2-68.6174.6000111.9V359 E360 L361 R365 N366 E368 A371 I399 W419V359-L363 HydrophobicContact CG1-CD1 4Å; V359-L363 HydrophobicContact CG1-CG 4.47Å; V359-L363 WeakPolarHBondContact O-CG 3.48Å; V359-L363 PolarHBondContact O-N 3Å; E360-L363 PolarHBondContact O-N 3.29Å; L361-L363 VanDerWaalsContact C-N 3.33Å; L363-R365 PolarHBondContact O-N 3.32Å; L363-N366 PolarHBondContact O-N 3.34Å; L363-E368 HydrophobicContact CD2-CG 4.47Å; L363-A371 HydrophobicContact CD2-CB 3.69Å; L363-A371 HydrophobicContact CG-CB 3.93Å; L363-I399 HydrophobicContact CD1-CG2 3.48Å; L363-I399 VanDerWaalsContact CD1-CG2 3.48Å; L363-W419 HydrophobicContact CD1-CZ3 4.43Å; L363-W419 HydrophobicContact CD2-CH2 3.7Å; L363-W419 HydrophobicContact CD2-CZ2 4.21Å; L363-W419 HydrophobicContact CD2-CZ3 4.4Å
364Q91.3Very high92.8Very high116 Ų11647.9 Ų47.954%0.54223%0.231SC..Hα-helixtrans-58.6-31175.8-74.7177.44.900113.1E360 L361 N366E360-Q364 WeakPolarHBondContact O-CG 3.43Å; E360-Q364 PolarHBondContact O-N 3.39Å; E360-Q364 PolarHBondContact OE1-NE2 2.83Å; E360-Q364 VanDerWaalsContact OE1-NE2 3.14Å; L361-Q364 PolarHBondContact O-N 3.03Å; Q364-N366 VanDerWaalsContact C-N 3.35Å
365R90.4Very high93Very high84 Ų8447.9 Ų47.932%0.31723%0.231SC..THydrogen-bonded Turntrans-93.815.2177.6-62.3-65.9176.7157.6-1.8113.6M326 D329 L361 L362 L363 K367M326-R365 PolarHBondContact O-NH2 3.28Å; D329-R365 IonicContact OD1-CZ 3.21Å; D329-R365 IonicContact OD1-NH1 2.94Å; D329-R365 PolarHBondContact OD1-NH1 3.09Å; D329-R365 IonicContact OD1-NH2 2.77Å; L361-R365 WeakPolarHBondContact O-CG 3.47Å; L361-R365 PolarHBondContact O-N 3.5Å; L361-R365 VanDerWaalsContact O-N 3.13Å; L362-R365 PolarHBondContact O-N 3.37Å; L363-R365 PolarHBondContact O-N 3.32Å; R365-K367 PolarHBondContact O-N 3.17Å
366N89.8Confident93.1Very high149 Ų14951 Ų5180%0.79725%0.245SC*.THydrogen-bonded Turntrans56.726.3-179.4-60-45.9000114.1L362 L363 Q364 E368L362-N366 PolarHBondContact O-N 3.26Å; L363-N366 PolarHBondContact O-N 3.34Å; Q364-N366 VanDerWaalsContact C-N 3.35Å; N366-E368 VanDerWaalsContact C-N 3.26Å; N366-E368 PolarHBondContact O-N 2.89Å
367K91.8Very high93Very high65 Ų6555.7 Ų55.728%0.28327%0.27SS..  trans-91.355.1177.4-70.1179.2169.1178.10111.2E331 F335 L362 R365 L369 L370 A371E331-K367 WeakPolarHBondContact OE1-CE 3.48Å; E331-K367 IonicContact OE1-NZ 3.82Å; E331-K367 PolarHBondContact OE1-NZ 3.37Å; F335-K367 HydrophobicContact CE2-CD 4.46Å; L362-K367 HydrophobicContact CB-CB 4.42Å; L362-K367 HydrophobicContact CD2-CB 3.96Å; L362-K367 HydrophobicContact CD2-CD 4.09Å; L362-K367 WeakPolarHBondContact O-CB 3.3Å; L362-K367 PolarHBondContact O-N 3.48Å; R365-K367 PolarHBondContact O-N 3.17Å; K367-L369 PolarHBondContact O-N 3.11Å; K367-L370 HydrophobicContact CB-CB 4.48Å; K367-L370 HydrophobicContact CB-CD1 4.34Å; K367-L370 HydrophobicContact CD-CD1 4.22Å; K367-L370 PolarHBondContact O-N 2.9Å; K367-A371 PolarHBondContact O-N 3.2Å
368E91.1Very high92.9Very high53 Ų5355.7 Ų55.725%0.24827%0.269CS..Hα-helixtrans-59.4-41.8-168.6-163.6-175.4134.200113.5L363 N366 L370 A371 K372 H407 W419L363-E368 HydrophobicContact CD2-CG 4.47Å; N366-E368 VanDerWaalsContact C-N 3.26Å; N366-E368 PolarHBondContact O-N 2.89Å; E368-L370 VanDerWaalsContact C-N 3.34Å; E368-L370 PolarHBondContact O-N 3.48Å; E368-A371 WeakPolarHBondContact O-CB 3.49Å; E368-A371 PolarHBondContact O-N 3.38Å; E368-A371 VanDerWaalsContact O-N 3.16Å; E368-K372 WeakPolarHBondContact O-CG 3.19Å; E368-K372 PolarHBondContact O-N 2.89Å; E368-K372 WeakPolarHBondContact OE1-CE 3.44Å; E368-K372 IonicContact OE1-NZ 2.78Å; E368-K372 PolarHBondContact OE1-NZ 2.98Å; E368-H407 IonicContact OE1-CE1 2.83Å; E368-H407 IonicContact OE1-NE2 2.6Å; E368-H407 IonicContact OE2-CE1 3.02Å; E368-H407 IonicContact OE2-NE2 3.27Å; E368-W419 HydrophobicContact CG-CH2 4.4Å; E368-W419 HydrophobicContact CG-CZ2 3.59Å; E368-W419 PolarHBondContact OE1-NE1 3.05Å
369L92.4Very high92.7Very high126 Ų12655.6 Ų55.666%0.6627%0.27SS*.Hα-helixtrans-60.7-42.6179.2-175.869.4000112.3K367 A371 K372 Q373K367-L369 PolarHBondContact O-N 3.11Å; L369-A371 VanDerWaalsContact C-N 3.34Å; L369-K372 PolarHBondContact O-N 3.37Å; L369-Q373 WeakPolarHBondContact O-CG 3.28Å; L369-Q373 PolarHBondContact O-N 3.45Å; L369-Q373 VanDerWaalsContact O-N 3.14Å
370L92.5Very high92.5Very high83 Ų8360.2 Ų60.244%0.43530%0.298SS..Hα-helixtrans-69.6-36177.5-65.5176.7000110.9L362 K367 E368 K374L362-L370 HydrophobicContact CD1-CB 4.19Å; L362-L370 HydrophobicContact CD2-CB 4Å; L362-L370 HydrophobicContact CD2-CD1 4.34Å; K367-L370 HydrophobicContact CB-CB 4.48Å; K367-L370 HydrophobicContact CB-CD1 4.34Å; K367-L370 HydrophobicContact CD-CD1 4.22Å; K367-L370 PolarHBondContact O-N 2.9Å; E368-L370 VanDerWaalsContact C-N 3.34Å; E368-L370 PolarHBondContact O-N 3.48Å; L370-K374 VanDerWaalsContact O-CB 3.32Å; L370-K374 WeakPolarHBondContact O-CB 3.49Å; L370-K374 PolarHBondContact O-N 3.23Å
371A94.1Very high92.1Very high0 Ų057.7 Ų57.70%029%0.29CS..Hα-helixtrans-61-47173.900000110.6L362 L363 K367 E368 L369 Q373 K374 I375 W419L362-A371 HydrophobicContact CB-CB 3.86Å; L362-A371 HydrophobicContact CD1-CB 4.4Å; L363-A371 HydrophobicContact CD2-CB 3.69Å; L363-A371 HydrophobicContact CG-CB 3.93Å; K367-A371 PolarHBondContact O-N 3.2Å; E368-A371 WeakPolarHBondContact O-CB 3.49Å; E368-A371 PolarHBondContact O-N 3.38Å; E368-A371 VanDerWaalsContact O-N 3.16Å; L369-A371 VanDerWaalsContact C-N 3.34Å; A371-Q373 PolarHBondContact O-N 3.46Å; A371-K374 WeakPolarHBondContact O-CB 3.35Å; A371-K374 PolarHBondContact O-N 2.89Å; A371-K374 VanDerWaalsContact O-N 3.14Å; A371-I375 WeakPolarHBondContact O-CD1 3.36Å; A371-I375 WeakPolarHBondContact O-CG1 3.37Å; A371-I375 PolarHBondContact O-N 3.45Å; A371-W419 HydrophobicContact CB-CH2 4.5Å
372K94.1Very high91.8Very high26 Ų2658.1 Ų58.111%0.11329%0.291CS..Hα-helixtrans-57-50.9177-71.8178.4-177.4167.60112.5E368 L369 K374 I375 E376 E415 W419 Y422E368-K372 WeakPolarHBondContact O-CG 3.19Å; E368-K372 PolarHBondContact O-N 2.89Å; E368-K372 WeakPolarHBondContact OE1-CE 3.44Å; E368-K372 IonicContact OE1-NZ 2.78Å; E368-K372 PolarHBondContact OE1-NZ 2.98Å; L369-K372 PolarHBondContact O-N 3.37Å; K372-K374 VanDerWaalsContact C-N 3.26Å; K372-K374 PolarHBondContact O-N 2.99Å; K372-I375 WeakPolarHBondContact O-CB 3.43Å; K372-I375 PolarHBondContact O-N 3.34Å; K372-I375 VanDerWaalsContact O-N 3.1Å; K372-E376 WeakPolarHBondContact O-CG 3.4Å; K372-E376 PolarHBondContact O-N 3.24Å; K372-E415 WeakPolarHBondContact CE-OE1 3.48Å; K372-E415 IonicContact NZ-OE1 3.8Å; K372-E415 PolarHBondContact NZ-OE1 3.05Å; K372-E415 IonicContact NZ-OE2 3.43Å; K372-E415 PolarHBondContact NZ-OE2 3.01Å; K372-W419 HydrophobicContact CD-CZ2 4.37Å; K372-W419 HydrophobicContact CG-CH2 4Å; K372-W419 HydrophobicContact CG-CZ2 3.85Å; K372-Y422 HydrophobicContact CB-CE2 4.47Å; K372-Y422 HydrophobicContact CG-CE2 3.96Å
373Q93.8Very high91.4Very high93 Ų9363.5 Ų63.544%0.43531%0.312SS..Hα-helixtrans-56.2-43.9175.5-70.9174.7-9.700111.4L369 A371 I375 E376 D377L369-Q373 WeakPolarHBondContact O-CG 3.28Å; L369-Q373 PolarHBondContact O-N 3.45Å; L369-Q373 VanDerWaalsContact O-N 3.14Å; A371-Q373 PolarHBondContact O-N 3.46Å; Q373-I375 VanDerWaalsContact C-N 3.32Å; Q373-I375 PolarHBondContact O-N 3.49Å; Q373-E376 PolarHBondContact O-N 2.9Å; Q373-D377 PolarHBondContact O-N 2.92Å
374K93.1Very high91Very high44 Ų4466.7 Ų66.719%0.19134%0.336CS..Hα-helixtrans-64.7-37178.8-171.758.4174.5173.80112.4V359 L362 L370 A371 K372 D377 I378V359-K374 HydrophobicContact CG2-CB 4.36Å; V359-K374 HydrophobicContact CG2-CG 3.94Å; L362-K374 HydrophobicContact CD1-CB 4.23Å; L370-K374 VanDerWaalsContact O-CB 3.32Å; L370-K374 WeakPolarHBondContact O-CB 3.49Å; L370-K374 PolarHBondContact O-N 3.23Å; A371-K374 WeakPolarHBondContact O-CB 3.35Å; A371-K374 PolarHBondContact O-N 2.89Å; A371-K374 VanDerWaalsContact O-N 3.14Å; K372-K374 VanDerWaalsContact C-N 3.26Å; K372-K374 PolarHBondContact O-N 2.99Å; K374-D377 WeakPolarHBondContact O-CB 2.95Å; K374-D377 PolarHBondContact O-N 3.42Å; K374-I378 HydrophobicContact CG-CD1 4.13Å; K374-I378 WeakPolarHBondContact O-CD1 3.24Å; K374-I378 WeakPolarHBondContact O-CG1 3.5Å; K374-I378 PolarHBondContact O-N 3.14Å
375I94.7Very high90.3Very high0 Ų064.2 Ų64.20%034%0.342CS..Hα-helixtrans-67-44.7177-66.1159.3000110.3V359 A371 K372 Q373 D377 I378 I379 M396 L400 W419 Y422V359-I375 HydrophobicContact CG1-CD1 3.85Å; V359-I375 HydrophobicContact CG1-CG1 3.81Å; V359-I375 HydrophobicContact CG2-CG1 3.86Å; A371-I375 WeakPolarHBondContact O-CD1 3.36Å; A371-I375 WeakPolarHBondContact O-CG1 3.37Å; A371-I375 PolarHBondContact O-N 3.45Å; K372-I375 WeakPolarHBondContact O-CB 3.43Å; K372-I375 PolarHBondContact O-N 3.34Å; K372-I375 VanDerWaalsContact O-N 3.1Å; Q373-I375 VanDerWaalsContact C-N 3.32Å; Q373-I375 PolarHBondContact O-N 3.49Å; I375-D377 VanDerWaalsContact C-N 3.31Å; I375-D377 PolarHBondContact O-N 3.01Å; I375-I378 WeakPolarHBondContact O-CB 3.48Å; I375-I378 PolarHBondContact O-N 2.77Å; I375-I378 VanDerWaalsContact O-N 3.09Å; I375-I379 HydrophobicContact CG2-CD1 3.7Å; I375-I379 HydrophobicContact CG2-CG1 4.32Å; I375-I379 WeakPolarHBondContact O-CD1 3.45Å; I375-I379 VanDerWaalsContact O-CG1 3.26Å; I375-I379 WeakPolarHBondContact O-CG1 3.4Å; I375-I379 PolarHBondContact O-N 3.1Å; I375-M396 HydrophobicContact CB-CE 4.23Å; I375-M396 HydrophobicContact CD1-CE 4.38Å; I375-M396 HydrophobicContact CG1-CE 3.61Å; I375-M396 HydrophobicContact CG2-CE 3.88Å; I375-L400 HydrophobicContact CD1-CD2 3.8Å; I375-L400 HydrophobicContact CG1-CD2 4.46Å; I375-L400 HydrophobicContact CG2-CD2 4.37Å; I375-W419 HydrophobicContact CD1-CE3 4.34Å; I375-W419 HydrophobicContact CD1-CH2 3.73Å; I375-W419 HydrophobicContact CD1-CZ3 3.31Å; I375-Y422 HydrophobicContact CG2-CD1 3.87Å; I375-Y422 HydrophobicContact CG2-CD2 4.21Å; I375-Y422 HydrophobicContact CG2-CG 3.72Å
376E93.6Very high89.8Confident91 Ų9166.4 Ų66.443%0.42535%0.354SS..Hα-helixtrans-59.2-41.4175.3-69.3173171.800111.9K372 Q373 I378 I379 T380 Y422K372-E376 WeakPolarHBondContact O-CG 3.4Å; K372-E376 PolarHBondContact O-N 3.24Å; Q373-E376 PolarHBondContact O-N 2.9Å; E376-I378 VanDerWaalsContact C-N 3.35Å; E376-I378 PolarHBondContact O-N 3.02Å; E376-I379 PolarHBondContact O-N 2.94Å; E376-T380 WeakPolarHBondContact O-CB 3.48Å; E376-T380 PolarHBondContact O-N 3.26Å; E376-T380 PolarHBondContact O-OG1 2.85Å; E376-Y422 HydrophobicContact CG-CE1 3.76Å; E376-Y422 PolarHBondContact OE1-OH 3.49Å
377D90.8Very high89.5Confident104 Ų10465.1 Ų65.156%0.55634%0.343SS*.Hα-helixtrans-61.2-42.5172.6-73-18.4000111.8Q373 K374 I375 T380 G381Q373-D377 PolarHBondContact O-N 2.92Å; K374-D377 WeakPolarHBondContact O-CB 2.95Å; K374-D377 PolarHBondContact O-N 3.42Å; I375-D377 VanDerWaalsContact C-N 3.31Å; I375-D377 PolarHBondContact O-N 3.01Å; D377-T380 PolarHBondContact O-N 3.35Å; D377-G381 PolarHBondContact O-N 3.44Å
378I91.6Very high89.2Confident7 Ų762.8 Ų62.84%0.03633%0.333CS..Hα-helixtrans-66.2-43.5179-69.2162.8000110.6L355 V359 K374 I375 E376 G381 H382 L388 F426L355-I378 HydrophobicContact CB-CD1 3.9Å; L355-I378 HydrophobicContact CB-CG1 4.12Å; L355-I378 HydrophobicContact CD1-CG1 4.27Å; L355-I378 HydrophobicContact CD2-CG1 4.34Å; L355-I378 HydrophobicContact CG-CG1 4.48Å; V359-I378 HydrophobicContact CG2-CD1 3.6Å; K374-I378 HydrophobicContact CG-CD1 4.13Å; K374-I378 WeakPolarHBondContact O-CD1 3.24Å; K374-I378 WeakPolarHBondContact O-CG1 3.5Å; K374-I378 PolarHBondContact O-N 3.14Å; I375-I378 WeakPolarHBondContact O-CB 3.48Å; I375-I378 PolarHBondContact O-N 2.77Å; I375-I378 VanDerWaalsContact O-N 3.09Å; E376-I378 VanDerWaalsContact C-N 3.35Å; E376-I378 PolarHBondContact O-N 3.02Å; I378-G381 PolarHBondContact O-N 3.23Å; I378-H382 WeakPolarHBondContact O-CB 3.41Å; I378-H382 PolarHBondContact O-N 3.37Å; I378-L388 HydrophobicContact CG2-CD1 3.76Å; I378-L388 HydrophobicContact CG2-CD2 4.3Å; I378-L388 HydrophobicContact CG2-CG 4.25Å; I378-F426 HydrophobicContact CG2-CE1 4.08Å; I378-F426 HydrophobicContact CG2-CZ 3.93Å
379I91.2Very high89Confident24 Ų2462.3 Ų62.312%0.12333%0.334CS..Hα-helixtrans-60.4-48.4176.7-66.8158.7000109.7I375 E376 G381 H382 Y383 Y422 S425 F426I375-I379 HydrophobicContact CG2-CD1 3.7Å; I375-I379 HydrophobicContact CG2-CG1 4.32Å; I375-I379 WeakPolarHBondContact O-CD1 3.45Å; I375-I379 VanDerWaalsContact O-CG1 3.26Å; I375-I379 WeakPolarHBondContact O-CG1 3.4Å; I375-I379 PolarHBondContact O-N 3.1Å; E376-I379 PolarHBondContact O-N 2.94Å; I379-G381 VanDerWaalsContact C-N 3.32Å; I379-G381 PolarHBondContact O-N 2.93Å; I379-H382 WeakPolarHBondContact O-CB 3.4Å; I379-H382 PolarHBondContact O-N 3.35Å; I379-Y383 HydrophobicContact CG2-CD2 4.38Å; I379-Y383 HydrophobicContact CG2-CE2 4.29Å; I379-Y383 WeakPolarHBondContact O-CD2 3.43Å; I379-Y383 PolarHBondContact O-N 2.84Å; I379-Y422 HydrophobicContact CD1-CD1 3.73Å; I379-Y422 HydrophobicContact CD1-CG 4.41Å; I379-S425 WeakPolarHBondContact CD1-OG 3.35Å; I379-S425 VanDerWaalsContact CG1-OG 3.29Å; I379-S425 WeakPolarHBondContact CG1-OG 3.46Å; I379-S425 WeakPolarHBondContact CG2-OG 3.25Å; I379-F426 HydrophobicContact CB-CZ 4.41Å; I379-F426 HydrophobicContact CD1-CE2 4.34Å; I379-F426 HydrophobicContact CD1-CZ 4.43Å; I379-F426 HydrophobicContact CG1-CD2 4.39Å; I379-F426 HydrophobicContact CG1-CE1 3.87Å; I379-F426 HydrophobicContact CG1-CE2 3.68Å; I379-F426 HydrophobicContact CG1-CZ 3.39Å
380T89.7Confident88.7Confident96 Ų9661.1 Ų61.159%0.58933%0.334SS*.Hα-helixtrans-59.4-45177.5-55.40000110.9E376 D377 H382 Y383 S384E376-T380 WeakPolarHBondContact O-CB 3.48Å; E376-T380 PolarHBondContact O-N 3.26Å; E376-T380 PolarHBondContact O-OG1 2.85Å; D377-T380 PolarHBondContact O-N 3.35Å; T380-H382 VanDerWaalsContact C-N 3.34Å; T380-H382 PolarHBondContact O-N 2.64Å; T380-Y383 PolarHBondContact O-N 3.13Å; T380-S384 WeakPolarHBondContact O-CB 3.44Å; T380-S384 PolarHBondContact O-N 3.5Å; T380-S384 PolarHBondContact O-OG 2.88Å
381G86.6Confident88.4Confident14 Ų1463.1 Ų63.114%0.14435%0.345CS..Hα-helixtrans-60.5-39.7175.600000113.5D377 I378 I379 Y383 S384 G385 K386D377-G381 PolarHBondContact O-N 3.44Å; I378-G381 PolarHBondContact O-N 3.23Å; I379-G381 VanDerWaalsContact C-N 3.32Å; I379-G381 PolarHBondContact O-N 2.93Å; G381-Y383 VanDerWaalsContact C-N 3.29Å; G381-Y383 PolarHBondContact O-N 3.28Å; G381-S384 WeakPolarHBondContact CA-OG 3.44Å; G381-S384 PolarHBondContact O-N 2.98Å; G381-S384 PolarHBondContact O-OG 2.95Å; G381-G385 PolarHBondContact O-N 3.18Å; G381-K386 CarbonylContact O-C 3.57Å; G381-K386 WeakPolarHBondContact O-CA 3.42Å; G381-K386 WeakPolarHBondContact O-CB 3.39Å; G381-K386 PolarHBondContact O-N 3.37Å
382H86.9Confident88.1Confident14 Ų1463.5 Ų63.57%0.06535%0.348CS..Hα-helixtrans-58.3-41.6179.3-171.494.4000111.6I378 I379 T380 Q387 L388 F426I378-H382 WeakPolarHBondContact O-CB 3.41Å; I378-H382 PolarHBondContact O-N 3.37Å; I379-H382 WeakPolarHBondContact O-CB 3.4Å; I379-H382 PolarHBondContact O-N 3.35Å; T380-H382 VanDerWaalsContact C-N 3.34Å; T380-H382 PolarHBondContact O-N 2.64Å; H382-Q387 WeakPolarHBondContact O-CG 3.46Å; H382-L388 PolarHBondContact ND1-N 3.22Å; H382-F426 HydrophobicContact CB-CD1 4.34Å; H382-F426 HydrophobicContact CB-CE1 4.16Å
383Y85.6Confident87.9Confident121 Ų12163.9 Ų63.948%0.47535%0.351SS..Hα-helixtrans-85.3-21.2177.7-69.5-74.8000114.2I379 T380 G381 G385 S425 F427I379-Y383 HydrophobicContact CG2-CD2 4.38Å; I379-Y383 HydrophobicContact CG2-CE2 4.29Å; I379-Y383 WeakPolarHBondContact O-CD2 3.43Å; I379-Y383 PolarHBondContact O-N 2.84Å; T380-Y383 PolarHBondContact O-N 3.13Å; G381-Y383 VanDerWaalsContact C-N 3.29Å; G381-Y383 PolarHBondContact O-N 3.28Å; Y383-G385 VanDerWaalsContact C-N 3.29Å; Y383-G385 PolarHBondContact O-N 3.04Å; Y383-S425 WeakPolarHBondContact CE2-O 3.34Å; Y383-S425 PolarHBondContact OH-O 3.25Å; Y383-F427 PolarHBondContact OH-O 3.36Å
384S85.3Confident87.7Confident90 Ų9063.5 Ų63.563%0.62936%0.355SS*.THydrogen-bonded Turntrans-88.515.3178.680.10000114.2T380 G381T380-S384 WeakPolarHBondContact O-CB 3.44Å; T380-S384 PolarHBondContact O-N 3.5Å; T380-S384 PolarHBondContact O-OG 2.88Å; G381-S384 WeakPolarHBondContact CA-OG 3.44Å; G381-S384 PolarHBondContact O-N 2.98Å; G381-S384 PolarHBondContact O-OG 2.95Å
385G76.2Confident87.5Confident64 Ų6465.8 Ų65.866%0.6637%0.368SS*.THydrogen-bonded Turntrans102.81.417500000116.3G381 Y383G381-G385 PolarHBondContact O-N 3.18Å; Y383-G385 VanDerWaalsContact C-N 3.29Å; Y383-G385 PolarHBondContact O-N 3.04Å
386K80.3Confident87.5Confident130 Ų13065.8 Ų65.857%0.56537%0.368SS*.  trans-103.961.3172.1-62.9-177.7178.6-178.40110.5G381 L388G381-K386 CarbonylContact O-C 3.57Å; G381-K386 WeakPolarHBondContact O-CA 3.42Å; G381-K386 WeakPolarHBondContact O-CB 3.39Å; G381-K386 PolarHBondContact O-N 3.37Å; K386-L388 PolarHBondContact O-N 3.25Å
387Q83.4Confident87.4Confident123 Ų12362.5 Ų62.558%0.57535%0.353SS*.PPolyproline II helixtrans-63.8136.4-177.8-73.7177.74.300111.3H382H382-Q387 WeakPolarHBondContact O-CG 3.46Å
388L85.7Confident87.5Confident15 Ų1562 Ų628%0.07935%0.353CS..PPolyproline II helixtrans-69.8141.9171.1-67175.7000109.2G352 I378 H382 K386 L393 F426G352-L388 VanDerWaalsContact CA-CD2 3.44Å; I378-L388 HydrophobicContact CG2-CD1 3.76Å; I378-L388 HydrophobicContact CG2-CD2 4.3Å; I378-L388 HydrophobicContact CG2-CG 4.25Å; H382-L388 PolarHBondContact ND1-N 3.22Å; K386-L388 PolarHBondContact O-N 3.25Å; L388-L393 HydrophobicContact CB-CB 4.48Å; L388-L393 HydrophobicContact CB-CD1 4.18Å; L388-L393 HydrophobicContact CD1-CD1 3.87Å; L388-F426 HydrophobicContact CD1-CE1 3.9Å; L388-F426 HydrophobicContact CD1-CZ 4.34Å
389T87Confident87.6Confident44 Ų4462.8 Ų62.827%0.2736%0.357SS..PPolyproline II helixtrans-62.7153.1170.361.40000110.4D391 S392 L393T389-D391 PolarHBondContact O-N 3.28Å; T389-S392 PolarHBondContact O-N 2.57Å; T389-S392 VanDerWaalsContact O-N 3.11Å; T389-S392 WeakPolarHBondContact OG1-CB 3.4Å; T389-S392 PolarHBondContact OG1-N 3.45Å; T389-S392 PolarHBondContact OG1-OG 3.07Å; T389-L393 WeakPolarHBondContact O-CB 3.48Å; T389-L393 PolarHBondContact O-N 3.02Å
390P86.8Confident87.7Confident100 Ų10061.6 Ų61.665%0.64935%0.352SS*.Hα-helixtrans-53.6-39.3179-27.835.6000113.7L393 T394P390-L393 PolarHBondContact O-N 2.9Å; P390-T394 WeakPolarHBondContact O-CB 3.29Å; P390-T394 PolarHBondContact O-N 2.89Å; P390-T394 PolarHBondContact O-OG1 2.94Å
391D86.1Confident88Confident125 Ų12559 Ų5967%0.66833%0.331SS*.Hα-helixtrans-65.6-45.9177.6-62.7-20.9000111.6T389 L393 T394 I395T389-D391 PolarHBondContact O-N 3.28Å; D391-L393 VanDerWaalsContact C-N 3.29Å; D391-L393 PolarHBondContact O-N 2.89Å; D391-T394 PolarHBondContact O-N 3.06Å; D391-I395 WeakPolarHBondContact O-CG1 3.28Å; D391-I395 PolarHBondContact O-N 3Å; D391-I395 VanDerWaalsContact O-N 3.09Å
392S88.6Confident88.3Confident8 Ų862.3 Ų62.36%0.05635%0.345CS..Hα-helixtrans-62.6-39.1176.3-59.40000111.3A353 T389 I395 M396A353-S392 PolarHBondContact N-OG 3.38Å; T389-S392 PolarHBondContact O-N 2.57Å; T389-S392 VanDerWaalsContact O-N 3.11Å; T389-S392 WeakPolarHBondContact OG1-CB 3.4Å; T389-S392 PolarHBondContact OG1-N 3.45Å; T389-S392 PolarHBondContact OG1-OG 3.07Å; S392-I395 PolarHBondContact O-N 3.12Å; S392-M396 VanDerWaalsContact O-CB 3.3Å; S392-M396 WeakPolarHBondContact O-CB 3.49Å; S392-M396 PolarHBondContact O-N 3.13Å
393L89.2Confident88.6Confident34 Ų3463 Ų6318%0.17835%0.349CS..Hα-helixtrans-65.9-40.4178.2-162.974.2000111.5L388 T389 P390 D391 M396 H397 F426L388-L393 HydrophobicContact CB-CB 4.48Å; L388-L393 HydrophobicContact CB-CD1 4.18Å; L388-L393 HydrophobicContact CD1-CD1 3.87Å; T389-L393 WeakPolarHBondContact O-CB 3.48Å; T389-L393 PolarHBondContact O-N 3.02Å; P390-L393 PolarHBondContact O-N 2.9Å; D391-L393 VanDerWaalsContact C-N 3.29Å; D391-L393 PolarHBondContact O-N 2.89Å; L393-M396 WeakPolarHBondContact O-CB 3.47Å; L393-M396 PolarHBondContact O-N 3.5Å; L393-H397 PolarHBondContact O-CD2 3.04Å; L393-H397 PolarHBondContact O-N 3.23Å; L393-F426 HydrophobicContact CD1-CB 3.93Å; L393-F426 HydrophobicContact CD1-CD1 3.64Å; L393-F426 HydrophobicContact CD1-CE1 4.3Å; L393-F426 HydrophobicContact CD1-CG 3.8Å
394T89.4Confident89Confident85 Ų8557.2 Ų57.252%0.52133%0.326SS..Hα-helixtrans-61-49.3176.1-58.80000110.9P390 D391 M396 H397 V398P390-T394 WeakPolarHBondContact O-CB 3.29Å; P390-T394 PolarHBondContact O-N 2.89Å; P390-T394 PolarHBondContact O-OG1 2.94Å; D391-T394 PolarHBondContact O-N 3.06Å; T394-M396 VanDerWaalsContact C-N 3.28Å; T394-M396 PolarHBondContact O-N 3.39Å; T394-H397 PolarHBondContact O-N 3.33Å; T394-V398 WeakPolarHBondContact O-CG2 3.32Å; T394-V398 PolarHBondContact O-N 3.5Å; T394-V398 VanDerWaalsContact O-N 3.07Å
395I89.8Confident89.4Confident92 Ų9255 Ų5547%0.47231%0.31SS..Hα-helixtrans-61.3-40.7176.6-61.1166.5000110.4V356 D391 S392 V398 I399V356-I395 HydrophobicContact CG1-CB 4.15Å; V356-I395 HydrophobicContact CG1-CG2 3.55Å; D391-I395 WeakPolarHBondContact O-CG1 3.28Å; D391-I395 PolarHBondContact O-N 3Å; D391-I395 VanDerWaalsContact O-N 3.09Å; S392-I395 PolarHBondContact O-N 3.12Å; I395-V398 PolarHBondContact O-N 3.33Å; I395-I399 HydrophobicContact CG2-CD1 3.97Å; I395-I399 WeakPolarHBondContact O-CG1 3.41Å; I395-I399 PolarHBondContact O-N 3.47Å
396M93.1Very high90.2Very high0 Ų057 Ų570%030%0.301CS..Hα-helixtrans-59.8-47.5176.3-17067.2-175.300112V356 V359 I375 S392 L393 T394 V398 I399 L400 F426V356-M396 HydrophobicContact CG2-CB 4.19Å; V356-M396 HydrophobicContact CG2-SD 4.22Å; V359-M396 HydrophobicContact CG1-CE 4.35Å; V359-M396 HydrophobicContact CG2-CE 4.32Å; I375-M396 HydrophobicContact CB-CE 4.23Å; I375-M396 HydrophobicContact CD1-CE 4.38Å; I375-M396 HydrophobicContact CG1-CE 3.61Å; I375-M396 HydrophobicContact CG2-CE 3.88Å; S392-M396 VanDerWaalsContact O-CB 3.3Å; S392-M396 WeakPolarHBondContact O-CB 3.49Å; S392-M396 PolarHBondContact O-N 3.13Å; L393-M396 WeakPolarHBondContact O-CB 3.47Å; L393-M396 PolarHBondContact O-N 3.5Å; T394-M396 VanDerWaalsContact C-N 3.28Å; T394-M396 PolarHBondContact O-N 3.39Å; M396-V398 VanDerWaalsContact C-N 3.3Å; M396-V398 PolarHBondContact O-N 3.1Å; M396-I399 PolarHBondContact O-N 3.01Å; M396-L400 HydrophobicContact CE-CD1 3.99Å; M396-L400 HydrophobicContact CE-CD2 4.05Å; M396-L400 HydrophobicContact CE-CG 4.12Å; M396-L400 HydrophobicContact CG-CD1 4.04Å; M396-L400 HydrophobicContact CG-CG 4.48Å; M396-L400 WeakPolarHBondContact O-CG 3.12Å; M396-L400 PolarHBondContact O-N 2.93Å; M396-F426 HydrophobicContact CE-CE2 4.29Å; M396-F426 HydrophobicContact CE-CZ 4.39Å; M396-F426 HydrophobicContact CG-CE2 4.08Å; M396-F426 HydrophobicContact CG-CZ 4.33Å
397H92.3Very high90.8Very high22 Ų2251.9 Ų51.910%0.10228%0.279CS..Hα-helixtrans-59.5-41.3176.2-71.9-58.5000111.9L393 T394 L400 W401 S423 F427L393-H397 PolarHBondContact O-CD2 3.04Å; L393-H397 PolarHBondContact O-N 3.23Å; T394-H397 PolarHBondContact O-N 3.33Å; H397-L400 PolarHBondContact O-N 2.97Å; H397-W401 WeakPolarHBondContact O-CB 3.05Å; H397-W401 VanDerWaalsContact O-CD1 3.26Å; H397-W401 PolarHBondContact O-N 2.87Å; H397-S423 PolarHBondContact CE1-O 3.34Å; H397-S423 PolarHBondContact ND1-OG 2.91Å; H397-F427 AromaticContact CE1-CD2 3.99Å; H397-F427 AromaticContact CE1-CE2 3.29Å; H397-F427 WeakPolarHBondContact CE1-CE2 3.36Å; H397-F427 AromaticContact CE1-CZ 3.66Å; H397-F427 AromaticContact ND1-CE2 3.91Å; H397-F427 AromaticContact NE2-CE2 3.89Å; H397-F427 AromaticContact NE2-CZ 3.8Å
398V92.4Very high91.2Very high93 Ų9348.7 Ų48.756%0.56426%0.263SS*.Hα-helixtrans-60.6-48.7177.1171.70000111.2T394 I395 M396 L400 W401 D402T394-V398 WeakPolarHBondContact O-CG2 3.32Å; T394-V398 PolarHBondContact O-N 3.5Å; T394-V398 VanDerWaalsContact O-N 3.07Å; I395-V398 PolarHBondContact O-N 3.33Å; M396-V398 VanDerWaalsContact C-N 3.3Å; M396-V398 PolarHBondContact O-N 3.1Å; V398-L400 VanDerWaalsContact C-N 3.35Å; V398-L400 PolarHBondContact O-N 3.22Å; V398-W401 PolarHBondContact O-N 3.28Å; V398-D402 WeakPolarHBondContact O-CB 3.5Å; V398-D402 PolarHBondContact O-N 3Å
399I93.4Very high91.5Very high24 Ų2455.3 Ų55.312%0.12329%0.294CS..Hα-helixtrans-59.9-46.1178.1-68.4166.8000110.9V356 V359 E360 L363 I395 M396 W401 D402 Q403V356-I399 HydrophobicContact CG1-CD1 3.71Å; V359-I399 HydrophobicContact CG1-CG2 4.41Å; E360-I399 HydrophobicContact CB-CD1 3.98Å; E360-I399 HydrophobicContact CG-CD1 4.27Å; L363-I399 HydrophobicContact CD1-CG2 3.48Å; L363-I399 VanDerWaalsContact CD1-CG2 3.48Å; I395-I399 HydrophobicContact CG2-CD1 3.97Å; I395-I399 WeakPolarHBondContact O-CG1 3.41Å; I395-I399 PolarHBondContact O-N 3.47Å; M396-I399 PolarHBondContact O-N 3.01Å; I399-W401 PolarHBondContact O-N 2.9Å; I399-D402 PolarHBondContact O-N 2.93Å; I399-Q403 PolarHBondContact O-N 3.47Å; I399-Q403 VanDerWaalsContact O-N 3.08Å
400L94.9Very high91.7Very high0 Ų056.3 Ų56.30%031%0.307CS..Hα-helixtrans-65.2-39.4-179.5-66.4173.1000112.1I375 M396 H397 V398 A404 W419 F426I375-L400 HydrophobicContact CD1-CD2 3.8Å; I375-L400 HydrophobicContact CG1-CD2 4.46Å; I375-L400 HydrophobicContact CG2-CD2 4.37Å; M396-L400 HydrophobicContact CE-CD1 3.99Å; M396-L400 HydrophobicContact CE-CD2 4.05Å; M396-L400 HydrophobicContact CE-CG 4.12Å; M396-L400 HydrophobicContact CG-CD1 4.04Å; M396-L400 HydrophobicContact CG-CG 4.48Å; M396-L400 WeakPolarHBondContact O-CG 3.12Å; M396-L400 PolarHBondContact O-N 2.93Å; H397-L400 PolarHBondContact O-N 2.97Å; V398-L400 VanDerWaalsContact C-N 3.35Å; V398-L400 PolarHBondContact O-N 3.22Å; L400-A404 VanDerWaalsContact O-CB 3.32Å; L400-A404 WeakPolarHBondContact O-CB 3.29Å; L400-A404 PolarHBondContact O-N 3.44Å; L400-W419 HydrophobicContact CD2-CE3 3.61Å; L400-W419 HydrophobicContact CD2-CZ3 3.72Å; L400-F426 HydrophobicContact CD1-CD2 4.38Å; L400-F426 HydrophobicContact CD1-CE2 4.06Å
401W94.6Very high91.9Very high41 Ų4153.1 Ų53.116%0.15529%0.292CS..Hα-helixtrans-73.5-37.2179.7-71.110.4000112.5H397 V398 I399 A404 S405 Y420 S423 N435 K438 L439H397-W401 WeakPolarHBondContact O-CB 3.05Å; H397-W401 VanDerWaalsContact O-CD1 3.26Å; H397-W401 PolarHBondContact O-N 2.87Å; V398-W401 PolarHBondContact O-N 3.28Å; I399-W401 PolarHBondContact O-N 2.9Å; W401-A404 PolarHBondContact O-N 2.85Å; W401-S405 WeakPolarHBondContact O-CB 3.19Å; W401-S405 PolarHBondContact O-N 3.23Å; W401-Y420 HydrophobicContact CB-CE1 4.45Å; W401-Y420 AromaticContact CD1-CD1 3.99Å; W401-Y420 HydrophobicContact CG-CE1 4.25Å; W401-S423 PolarHBondContact NE1-OG 3.32Å; W401-N435 HydrophobicContact CH2-CB 4.11Å; W401-N435 WeakPolarHBondContact CH2-O 3.27Å; W401-K438 HydrophobicContact CH2-CB 4.35Å; W401-K438 HydrophobicContact CH2-CD 4.31Å; W401-K438 HydrophobicContact CH2-CG 4.43Å; W401-K438 HydrophobicContact CZ3-CD 3.86Å; W401-K438 HydrophobicContact CZ3-CG 4.32Å; W401-L439 HydrophobicContact CZ2-CB 3.85Å
402D93.3Very high92.3Very high83 Ų8351.7 Ų51.744%0.44428%0.284SS..Hα-helixtrans-59.9-47.5172.9177.864.1000110.6V398 I399 A404 S405 K406V398-D402 WeakPolarHBondContact O-CB 3.5Å; V398-D402 PolarHBondContact O-N 3Å; I399-D402 PolarHBondContact O-N 2.93Å; D402-A404 PolarHBondContact O-N 3.34Å; D402-S405 PolarHBondContact O-N 3.45Å; D402-K406 WeakPolarHBondContact O-CG 3.49Å; D402-K406 PolarHBondContact O-N 3.3Å; D402-K406 IonicContact OD1-NZ 2.64Å; D402-K406 VanDerWaalsContact OD2-CE 3.29Å; D402-K406 WeakPolarHBondContact OD2-CE 3.45Å; D402-K406 IonicContact OD2-NZ 2.67Å; D402-K406 PolarHBondContact OD2-NZ 3.42Å
403Q93.7Very high92.6Very high29 Ų2954.3 Ų54.314%0.13629%0.293CS..Hα-helixtrans-63-44.4176.3-168.162.418.400111.8I399 S405 K406 H407 W419I399-Q403 PolarHBondContact O-N 3.47Å; I399-Q403 VanDerWaalsContact O-N 3.08Å; Q403-S405 VanDerWaalsContact C-N 3.33Å; Q403-S405 PolarHBondContact O-N 2.86Å; Q403-K406 PolarHBondContact O-N 3.42Å; Q403-H407 PolarHBondContact NE2-NE2 3.42Å; Q403-H407 PolarHBondContact O-CD2 3.4Å; Q403-H407 PolarHBondContact O-N 2.99Å; Q403-H407 VanDerWaalsContact O-N 3.15Å; Q403-W419 HydrophobicContact CB-CD2 4.02Å; Q403-W419 HydrophobicContact CB-CE3 4.02Å; Q403-W419 HydrophobicContact CB-CG 4.38Å; Q403-W419 HydrophobicContact CB-CZ3 4.46Å; Q403-W419 HydrophobicContact CG-CD2 3.55Å; Q403-W419 VanDerWaalsContact CG-CE2 3.46Å; Q403-W419 HydrophobicContact CG-CE3 3.89Å; Q403-W419 HydrophobicContact CG-CG 4.02Å; Q403-W419 HydrophobicContact CG-CH2 4.19Å; Q403-W419 HydrophobicContact CG-CZ2 3.83Å; Q403-W419 HydrophobicContact CG-CZ3 4.16Å
404A94.6Very high92.8Very high0 Ų055.7 Ų55.70%031%0.31CS..Hα-helixtrans-60.7-41.3176.700000112.5L400 W401 D402 H407 F408 A416 W419 Y420L400-A404 VanDerWaalsContact O-CB 3.32Å; L400-A404 WeakPolarHBondContact O-CB 3.29Å; L400-A404 PolarHBondContact O-N 3.44Å; W401-A404 PolarHBondContact O-N 2.85Å; D402-A404 PolarHBondContact O-N 3.34Å; A404-H407 PolarHBondContact O-N 3.26Å; A404-F408 WeakPolarHBondContact O-CB 3.44Å; A404-F408 PolarHBondContact O-N 2.98Å; A404-A416 WeakPolarHBondContact O-CB 3.39Å; A404-W419 HydrophobicContact CB-CB 3.62Å; A404-Y420 HydrophobicContact CB-CD1 3.6Å; A404-Y420 HydrophobicContact CB-CD2 3.85Å; A404-Y420 HydrophobicContact CB-CE1 3.37Å; A404-Y420 HydrophobicContact CB-CE2 3.63Å; A404-Y420 HydrophobicContact CB-CG 3.82Å
405S92.5Very high93Very high43 Ų4353.9 Ų53.930%0.30130%0.295SS..Hα-helixtrans-63-44.9177.7-161.50000111.5W401 D402 Q403 H407 F408 E409W401-S405 WeakPolarHBondContact O-CB 3.19Å; W401-S405 PolarHBondContact O-N 3.23Å; D402-S405 PolarHBondContact O-N 3.45Å; Q403-S405 VanDerWaalsContact C-N 3.33Å; Q403-S405 PolarHBondContact O-N 2.86Å; S405-H407 VanDerWaalsContact C-N 3.32Å; S405-H407 PolarHBondContact O-N 3.47Å; S405-F408 WeakPolarHBondContact O-CB 3.42Å; S405-F408 PolarHBondContact O-N 3.41Å; S405-F408 VanDerWaalsContact O-N 3.08Å; S405-E409 WeakPolarHBondContact O-CG 3.36Å; S405-E409 PolarHBondContact O-N 3.25Å; S405-E409 PolarHBondContact OG-OE1 2.9Å
406K93Very high93.3Very high106 Ų10649.5 Ų49.546%0.46127%0.273SS..Hα-helixtrans-57.5-43.3175.8-72.6167.1177.4164.10112.2D402 Q403 A410D402-K406 WeakPolarHBondContact O-CG 3.49Å; D402-K406 PolarHBondContact O-N 3.3Å; D402-K406 IonicContact OD1-NZ 2.64Å; D402-K406 VanDerWaalsContact OD2-CE 3.29Å; D402-K406 WeakPolarHBondContact OD2-CE 3.45Å; D402-K406 IonicContact OD2-NZ 2.67Å; D402-K406 PolarHBondContact OD2-NZ 3.42Å; Q403-K406 PolarHBondContact O-N 3.42Å; K406-A410 WeakPolarHBondContact O-CB 3.39Å; K406-A410 PolarHBondContact O-N 2.97Å; K406-A410 VanDerWaalsContact O-N 3.11Å
407H93.4Very high93.4Very high23 Ų2350.3 Ų50.311%0.10628%0.277CS..Hα-helixtrans-69.5-34.8175.4-73.1-72.3000112.8E368 Q403 A404 S405 A410 G411 N412 E415 A416 W419E368-H407 IonicContact OE1-CE1 2.83Å; E368-H407 IonicContact OE1-NE2 2.6Å; E368-H407 IonicContact OE2-CE1 3.02Å; E368-H407 IonicContact OE2-NE2 3.27Å; Q403-H407 PolarHBondContact NE2-NE2 3.42Å; Q403-H407 PolarHBondContact O-CD2 3.4Å; Q403-H407 PolarHBondContact O-N 2.99Å; Q403-H407 VanDerWaalsContact O-N 3.15Å; A404-H407 PolarHBondContact O-N 3.26Å; S405-H407 VanDerWaalsContact C-N 3.32Å; S405-H407 PolarHBondContact O-N 3.47Å; H407-A410 PolarHBondContact O-N 2.87Å; H407-G411 PolarHBondContact O-N 3.36Å; H407-N412 HydrophobicContact CB-CB 4.44Å; H407-N412 PolarHBondContact O-N 3.25Å; H407-E415 HydrophobicContact CB-CB 4.33Å; H407-E415 HydrophobicContact CB-CG 4.48Å; H407-E415 VanDerWaalsContact CE1-CG 3.5Å; H407-E415 WeakPolarHBondContact CE1-CG 3.45Å; H407-E415 WeakPolarHBondContact ND1-CG 3.43Å; H407-A416 HydrophobicContact CB-CB 3.9Å; H407-W419 AromaticContact CD2-CD1 3.43Å; H407-W419 VanDerWaalsContact CD2-CD1 3.43Å; H407-W419 AromaticContact CD2-NE1 3.49Å; H407-W419 PolarHBondContact CD2-NE1 3.3Å; H407-W419 AromaticContact NE2-CD1 3.82Å; H407-W419 AromaticContact NE2-NE1 3.35Å; H407-W419 PolarHBondContact NE2-NE1 2.78Å
408F92.4Very high93.5Very high56 Ų5652.6 Ų52.625%0.24629%0.288CS..Hα-helixtrans-65-46.7177-172.7-86.8000111.4A404 S405 A410 G411 Y413 A416 S445 H449A404-F408 WeakPolarHBondContact O-CB 3.44Å; A404-F408 PolarHBondContact O-N 2.98Å; S405-F408 WeakPolarHBondContact O-CB 3.42Å; S405-F408 PolarHBondContact O-N 3.41Å; S405-F408 VanDerWaalsContact O-N 3.08Å; F408-A410 VanDerWaalsContact C-N 3.29Å; F408-A410 PolarHBondContact O-N 3.03Å; F408-G411 PolarHBondContact O-N 3.31Å; F408-Y413 AromaticContact CD2-CD1 3.7Å; F408-Y413 HydrophobicContact CD2-CD1 3.7Å; F408-Y413 AromaticContact CD2-CE1 3.94Å; F408-Y413 HydrophobicContact CD2-CE1 3.94Å; F408-Y413 HydrophobicContact CE1-CE1 4.37Å; F408-Y413 AromaticContact CE2-CD1 3.7Å; F408-Y413 HydrophobicContact CE2-CD1 3.7Å; F408-Y413 AromaticContact CE2-CE1 3.74Å; F408-Y413 HydrophobicContact CE2-CE1 3.74Å; F408-Y413 HydrophobicContact CG-CD1 4.39Å; F408-Y413 HydrophobicContact CG-CE1 4.35Å; F408-Y413 HydrophobicContact CZ-CD1 4.39Å; F408-Y413 AromaticContact CZ-CE1 3.96Å; F408-Y413 HydrophobicContact CZ-CE1 3.96Å; F408-A416 HydrophobicContact CB-CB 4.04Å; F408-S445 WeakPolarHBondContact CZ-OG 3.45Å; F408-H449 AromaticContact CE2-CD2 3.93Å; F408-H449 AromaticContact CZ-CD2 3.84Å; F408-H449 AromaticContact CZ-NE2 3.84Å
409E91.2Very high93.7Very high153 Ų15348.1 Ų48.172%0.71526%0.261SS*.Hα-helixtrans-63.4-34.3176-72171.5-161.100112.2S405 G411S405-E409 WeakPolarHBondContact O-CG 3.36Å; S405-E409 PolarHBondContact O-N 3.25Å; S405-E409 PolarHBondContact OG-OE1 2.9Å; E409-G411 PolarHBondContact O-N 2.6Å
410A92Very high93.8Very high66 Ų6647.5 Ų47.555%0.54526%0.257SS..THydrogen-bonded Turntrans-74.1-1.5173.300000114.2K406 H407 F408 N412K406-A410 WeakPolarHBondContact O-CB 3.39Å; K406-A410 PolarHBondContact O-N 2.97Å; K406-A410 VanDerWaalsContact O-N 3.11Å; H407-A410 PolarHBondContact O-N 2.87Å; F408-A410 VanDerWaalsContact C-N 3.29Å; F408-A410 PolarHBondContact O-N 3.03Å; A410-N412 VanDerWaalsContact C-N 3.26Å; A410-N412 PolarHBondContact O-N 2.76Å
411G90.7Very high93.7Very high32 Ų3250.2 Ų50.233%0.3327%0.271SS..THydrogen-bonded Turntrans76.95-178.200000115H407 F408 E409 Y413H407-G411 PolarHBondContact O-N 3.36Å; F408-G411 PolarHBondContact O-N 3.31Å; E409-G411 PolarHBondContact O-N 2.6Å; G411-Y413 VanDerWaalsContact C-N 3.3Å; G411-Y413 WeakPolarHBondContact O-CD2 3.35Å; G411-Y413 WeakPolarHBondContact O-CE2 3.43Å; G411-Y413 PolarHBondContact O-N 3.35Å; G411-Y413 VanDerWaalsContact O-N 3.07Å
412N94.2Very high93.7Very high95 Ų9549 Ų4951%0.50827%0.267SS..  trans-86.766.2179.4-72.4-30.8000110.9H407 A410 A414 E415 A416H407-N412 HydrophobicContact CB-CB 4.44Å; H407-N412 PolarHBondContact O-N 3.25Å; A410-N412 VanDerWaalsContact C-N 3.26Å; A410-N412 PolarHBondContact O-N 2.76Å; N412-A414 VanDerWaalsContact C-N 3.31Å; N412-A414 PolarHBondContact O-N 3.26Å; N412-E415 HydrophobicContact CB-CB 4.29Å; N412-E415 PolarHBondContact O-N 3.07Å; N412-E415 VanDerWaalsContact O-N 3.14Å; N412-A416 PolarHBondContact O-N 3.5Å
413Y94Very high93.7Very high63 Ų6345.1 Ų45.125%0.24725%0.246CC..Hα-helixtrans-62.9-30.4-171.4-54.2-66.4000114.8F408 G411 E415 L417 H449F408-Y413 AromaticContact CD2-CD1 3.7Å; F408-Y413 HydrophobicContact CD2-CD1 3.7Å; F408-Y413 AromaticContact CD2-CE1 3.94Å; F408-Y413 HydrophobicContact CD2-CE1 3.94Å; F408-Y413 HydrophobicContact CE1-CE1 4.37Å; F408-Y413 AromaticContact CE2-CD1 3.7Å; F408-Y413 HydrophobicContact CE2-CD1 3.7Å; F408-Y413 AromaticContact CE2-CE1 3.74Å; F408-Y413 HydrophobicContact CE2-CE1 3.74Å; F408-Y413 HydrophobicContact CG-CD1 4.39Å; F408-Y413 HydrophobicContact CG-CE1 4.35Å; F408-Y413 HydrophobicContact CZ-CD1 4.39Å; F408-Y413 AromaticContact CZ-CE1 3.96Å; F408-Y413 HydrophobicContact CZ-CE1 3.96Å; G411-Y413 VanDerWaalsContact C-N 3.3Å; G411-Y413 WeakPolarHBondContact O-CD2 3.35Å; G411-Y413 WeakPolarHBondContact O-CE2 3.43Å; G411-Y413 PolarHBondContact O-N 3.35Å; G411-Y413 VanDerWaalsContact O-N 3.07Å; Y413-E415 VanDerWaalsContact C-N 3.35Å; Y413-L417 VanDerWaalsContact O-CB 3.29Å; Y413-L417 WeakPolarHBondContact O-CB 3.48Å; Y413-L417 PolarHBondContact O-N 3.49Å; Y413-H449 HydrophobicContact CD1-CB 3.78Å; Y413-H449 AromaticContact CD1-CG 3.93Å; Y413-H449 HydrophobicContact CD2-CB 3.5Å; Y413-H449 VanDerWaalsContact CD2-CB 3.5Å; Y413-H449 HydrophobicContact CE1-CB 3.98Å; Y413-H449 AromaticContact CE1-CD2 3.69Å; Y413-H449 AromaticContact CE1-CG 3.65Å; Y413-H449 HydrophobicContact CE2-CB 3.69Å; Y413-H449 AromaticContact CE2-CG 3.84Å; Y413-H449 AromaticContact CE2-ND1 3.85Å; Y413-H449 HydrophobicContact CG-CB 3.52Å; Y413-H449 AromaticContact CZ-CE1 3.97Å; Y413-H449 AromaticContact CZ-CG 3.58Å; Y413-H449 AromaticContact CZ-ND1 3.55Å
414A94.7Very high93.6Very high64 Ų6447.1 Ų47.153%0.52925%0.254SS..Hα-helixtrans-65.3-41.4176.500000111.6N412 Q418 L450N412-A414 VanDerWaalsContact C-N 3.31Å; N412-A414 PolarHBondContact O-N 3.26Å; A414-Q418 PolarHBondContact O-N 3.25Å; A414-Q418 VanDerWaalsContact O-N 3.13Å; A414-L450 HydrophobicContact CB-CD1 4.42Å; A414-L450 HydrophobicContact CB-CD2 4.13Å
415E93.8Very high93.4Very high46 Ų4648.7 Ų48.722%0.21527%0.266CS..Hα-helixtrans-72.3-45.6179-166.355.7-112.700110.5K372 H407 N412 Y413 L417 Q418 W419K372-E415 WeakPolarHBondContact CE-OE1 3.48Å; K372-E415 IonicContact NZ-OE1 3.8Å; K372-E415 PolarHBondContact NZ-OE1 3.05Å; K372-E415 IonicContact NZ-OE2 3.43Å; K372-E415 PolarHBondContact NZ-OE2 3.01Å; H407-E415 HydrophobicContact CB-CB 4.33Å; H407-E415 HydrophobicContact CB-CG 4.48Å; H407-E415 VanDerWaalsContact CE1-CG 3.5Å; H407-E415 WeakPolarHBondContact CE1-CG 3.45Å; H407-E415 WeakPolarHBondContact ND1-CG 3.43Å; N412-E415 HydrophobicContact CB-CB 4.29Å; N412-E415 PolarHBondContact O-N 3.07Å; N412-E415 VanDerWaalsContact O-N 3.14Å; Y413-E415 VanDerWaalsContact C-N 3.35Å; E415-L417 VanDerWaalsContact C-N 3.25Å; E415-L417 PolarHBondContact O-N 3.17Å; E415-Q418 WeakPolarHBondContact O-CB 3.16Å; E415-Q418 PolarHBondContact O-N 3.37Å; E415-Q418 PolarHBondContact OE1-OE1 3.12Å; E415-W419 PolarHBondContact O-N 3.31Å; E415-W419 PolarHBondContact OE1-NE1 3.2Å
416A95.3Very high93.2Very high0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-54-43.4173.300000112.1A404 H407 F408 N412 Q418 W419 Y420A404-A416 WeakPolarHBondContact O-CB 3.39Å; H407-A416 HydrophobicContact CB-CB 3.9Å; F408-A416 HydrophobicContact CB-CB 4.04Å; N412-A416 PolarHBondContact O-N 3.5Å; A416-Q418 VanDerWaalsContact C-N 3.35Å; A416-Q418 PolarHBondContact O-N 3.34Å; A416-W419 PolarHBondContact O-N 3.35Å; A416-Y420 WeakPolarHBondContact O-CD2 3.35Å; A416-Y420 PolarHBondContact O-N 3.12Å
417L95.2Very high92.9Very high17 Ų1742.8 Ų42.89%0.08924%0.235CC..Hα-helixtrans-63.1-38.9176.2-178.661.8000112.3Y413 E415 Y420 N421 R443 C446 L447 L450Y413-L417 VanDerWaalsContact O-CB 3.29Å; Y413-L417 WeakPolarHBondContact O-CB 3.48Å; Y413-L417 PolarHBondContact O-N 3.49Å; E415-L417 VanDerWaalsContact C-N 3.25Å; E415-L417 PolarHBondContact O-N 3.17Å; L417-Y420 PolarHBondContact O-N 3.15Å; L417-N421 WeakPolarHBondContact O-CB 3.44Å; L417-N421 PolarHBondContact O-N 3.15Å; L417-N421 PolarHBondContact O-ND2 3.46Å; L417-R443 HydrophobicContact CD1-CB 4.05Å; L417-R443 HydrophobicContact CD1-CG 4.16Å; L417-C446 HydrophobicContact CB-CB 3.92Å; L417-C446 HydrophobicContact CD1-CB 4.25Å; L417-L447 HydrophobicContact CD1-CD2 4.42Å; L417-L447 HydrophobicContact CD1-CG 4.12Å; L417-L447 HydrophobicContact CD2-CD2 3.52Å; L417-L447 HydrophobicContact CD2-CG 4.03Å; L417-L450 HydrophobicContact CB-CD1 4.5Å; L417-L450 HydrophobicContact CD2-CD1 3.85Å
418Q94.9Very high92.2Very high70 Ų7047.6 Ų47.633%0.32726%0.255SS..Hα-helixtrans-61.9-45.8175.9-175173.75.400111.3A414 E415 A416 Y420 N421 Y422A414-Q418 PolarHBondContact O-N 3.25Å; A414-Q418 VanDerWaalsContact O-N 3.13Å; E415-Q418 WeakPolarHBondContact O-CB 3.16Å; E415-Q418 PolarHBondContact O-N 3.37Å; E415-Q418 PolarHBondContact OE1-OE1 3.12Å; A416-Q418 VanDerWaalsContact C-N 3.35Å; A416-Q418 PolarHBondContact O-N 3.34Å; Q418-Y420 PolarHBondContact O-N 2.88Å; Q418-N421 WeakPolarHBondContact O-CA 3.39Å; Q418-N421 WeakPolarHBondContact O-CB 3.41Å; Q418-N421 PolarHBondContact O-N 3.08Å; Q418-Y422 HydrophobicContact CG-CE2 3.88Å; Q418-Y422 PolarHBondContact NE2-OH 2.91Å; Q418-Y422 WeakPolarHBondContact O-CD2 3.33Å; Q418-Y422 PolarHBondContact O-N 3.27Å
419W95.4Very high91.2Very high0 Ų050.2 Ų50.20%029%0.287CS..Hα-helixtrans-61.4-43.2176-74.2104.2000112.9L363 E368 A371 K372 I375 L400 Q403 A404 H407 E415 A416 N421 Y422 S423L363-W419 HydrophobicContact CD1-CZ3 4.43Å; L363-W419 HydrophobicContact CD2-CH2 3.7Å; L363-W419 HydrophobicContact CD2-CZ2 4.21Å; L363-W419 HydrophobicContact CD2-CZ3 4.4Å; E368-W419 HydrophobicContact CG-CH2 4.4Å; E368-W419 HydrophobicContact CG-CZ2 3.59Å; E368-W419 PolarHBondContact OE1-NE1 3.05Å; A371-W419 HydrophobicContact CB-CH2 4.5Å; K372-W419 HydrophobicContact CD-CZ2 4.37Å; K372-W419 HydrophobicContact CG-CH2 4Å; K372-W419 HydrophobicContact CG-CZ2 3.85Å; I375-W419 HydrophobicContact CD1-CE3 4.34Å; I375-W419 HydrophobicContact CD1-CH2 3.73Å; I375-W419 HydrophobicContact CD1-CZ3 3.31Å; L400-W419 HydrophobicContact CD2-CE3 3.61Å; L400-W419 HydrophobicContact CD2-CZ3 3.72Å; Q403-W419 HydrophobicContact CB-CD2 4.02Å; Q403-W419 HydrophobicContact CB-CE3 4.02Å; Q403-W419 HydrophobicContact CB-CG 4.38Å; Q403-W419 HydrophobicContact CB-CZ3 4.46Å; Q403-W419 HydrophobicContact CG-CD2 3.55Å; Q403-W419 VanDerWaalsContact CG-CE2 3.46Å; Q403-W419 HydrophobicContact CG-CE3 3.89Å; Q403-W419 HydrophobicContact CG-CG 4.02Å; Q403-W419 HydrophobicContact CG-CH2 4.19Å; Q403-W419 HydrophobicContact CG-CZ2 3.83Å; Q403-W419 HydrophobicContact CG-CZ3 4.16Å; A404-W419 HydrophobicContact CB-CB 3.62Å; H407-W419 AromaticContact CD2-CD1 3.43Å; H407-W419 VanDerWaalsContact CD2-CD1 3.43Å; H407-W419 AromaticContact CD2-NE1 3.49Å; H407-W419 PolarHBondContact CD2-NE1 3.3Å; H407-W419 AromaticContact NE2-CD1 3.82Å; H407-W419 AromaticContact NE2-NE1 3.35Å; H407-W419 PolarHBondContact NE2-NE1 2.78Å; E415-W419 PolarHBondContact O-N 3.31Å; E415-W419 PolarHBondContact OE1-NE1 3.2Å; A416-W419 PolarHBondContact O-N 3.35Å; W419-N421 VanDerWaalsContact C-N 3.3Å; W419-N421 PolarHBondContact O-N 3.03Å; W419-Y422 HydrophobicContact CD2-CD2 4.38Å; W419-Y422 HydrophobicContact CE3-CD2 4Å; W419-Y422 HydrophobicContact CE3-CE2 4.45Å; W419-Y422 HydrophobicContact CZ3-CD2 4.36Å; W419-Y422 PolarHBondContact O-N 2.97Å; W419-S423 PolarHBondContact O-N 3.34Å
420Y95.3Very high89.9Confident10 Ų1045.9 Ų45.94%0.03928%0.284CS..Hα-helixtrans-64.3-33.4171.9-72.2-49.1000112.8W401 A404 A416 L417 Q418 S423 F424 L439 N442 R443W401-Y420 HydrophobicContact CB-CE1 4.45Å; W401-Y420 AromaticContact CD1-CD1 3.99Å; W401-Y420 HydrophobicContact CG-CE1 4.25Å; A404-Y420 HydrophobicContact CB-CD1 3.6Å; A404-Y420 HydrophobicContact CB-CD2 3.85Å; A404-Y420 HydrophobicContact CB-CE1 3.37Å; A404-Y420 HydrophobicContact CB-CE2 3.63Å; A404-Y420 HydrophobicContact CB-CG 3.82Å; A416-Y420 WeakPolarHBondContact O-CD2 3.35Å; A416-Y420 PolarHBondContact O-N 3.12Å; L417-Y420 PolarHBondContact O-N 3.15Å; Q418-Y420 PolarHBondContact O-N 2.88Å; Y420-S423 WeakPolarHBondContact O-CB 3.41Å; Y420-S423 PolarHBondContact O-N 3.48Å; Y420-F424 WeakPolarHBondContact O-CB 3.44Å; Y420-F424 PolarHBondContact O-N 3.09Å; Y420-L439 HydrophobicContact CD1-CD1 3.45Å; Y420-L439 VanDerWaalsContact CD1-CD1 3.45Å; Y420-L439 HydrophobicContact CE1-CD1 4.4Å; Y420-L439 HydrophobicContact CG-CD1 3.9Å; Y420-N442 HydrophobicContact CD1-CB 4.33Å; Y420-N442 HydrophobicContact CD2-CB 4.17Å; Y420-N442 HydrophobicContact CE1-CB 3.89Å; Y420-N442 HydrophobicContact CE2-CB 3.71Å; Y420-N442 HydrophobicContact CG-CB 4.47Å; Y420-N442 PolarHBondContact OH-ND2 3.33Å; Y420-R443 HydrophobicContact CG-CG 4.3Å
421N93.8Very high88.9Confident57 Ų5745.3 Ų45.331%0.30527%0.27SS..Hα-helixtrans-68.3-35.2176.2-72.8-26000112.5L417 Q418 W419 S423 F424 S425 R443L417-N421 WeakPolarHBondContact O-CB 3.44Å; L417-N421 PolarHBondContact O-N 3.15Å; L417-N421 PolarHBondContact O-ND2 3.46Å; Q418-N421 WeakPolarHBondContact O-CA 3.39Å; Q418-N421 WeakPolarHBondContact O-CB 3.41Å; Q418-N421 PolarHBondContact O-N 3.08Å; W419-N421 VanDerWaalsContact C-N 3.3Å; W419-N421 PolarHBondContact O-N 3.03Å; N421-S423 VanDerWaalsContact C-N 3.31Å; N421-S423 PolarHBondContact O-N 2.95Å; N421-F424 PolarHBondContact O-N 3.36Å; N421-S425 PolarHBondContact O-N 2.96Å; N421-R443 VanDerWaalsContact OD1-CZ 3.3Å; N421-R443 PolarHBondContact OD1-NE 3.49Å; N421-R443 PolarHBondContact OD1-NH2 2.91Å
422Y94.4Very high87.7Confident17 Ų1748.7 Ų48.77%0.06728%0.278CS..Hα-helixtrans-60.1-44.9170.5-67-47.3000111.1K372 I375 E376 I379 Q418 W419 F424 S425 F426K372-Y422 HydrophobicContact CB-CE2 4.47Å; K372-Y422 HydrophobicContact CG-CE2 3.96Å; I375-Y422 HydrophobicContact CG2-CD1 3.87Å; I375-Y422 HydrophobicContact CG2-CD2 4.21Å; I375-Y422 HydrophobicContact CG2-CG 3.72Å; E376-Y422 HydrophobicContact CG-CE1 3.76Å; E376-Y422 PolarHBondContact OE1-OH 3.49Å; I379-Y422 HydrophobicContact CD1-CD1 3.73Å; I379-Y422 HydrophobicContact CD1-CG 4.41Å; Q418-Y422 HydrophobicContact CG-CE2 3.88Å; Q418-Y422 PolarHBondContact NE2-OH 2.91Å; Q418-Y422 WeakPolarHBondContact O-CD2 3.33Å; Q418-Y422 PolarHBondContact O-N 3.27Å; W419-Y422 HydrophobicContact CD2-CD2 4.38Å; W419-Y422 HydrophobicContact CE3-CD2 4Å; W419-Y422 HydrophobicContact CE3-CE2 4.45Å; W419-Y422 HydrophobicContact CZ3-CD2 4.36Å; W419-Y422 PolarHBondContact O-N 2.97Å; Y422-F424 VanDerWaalsContact C-N 3.31Å; Y422-F424 PolarHBondContact O-N 3.5Å; Y422-S425 PolarHBondContact O-N 2.94Å; Y422-S425 PolarHBondContact O-OG 3.37Å; Y422-F426 VanDerWaalsContact O-CD2 3.24Å; Y422-F426 WeakPolarHBondContact O-CD2 3.32Å
423S93.2Very high86.6Confident0 Ų047.9 Ų47.90%027%0.271CS..Hα-helixtrans-62.4-42.1176.7-165.40000111.2H397 W401 W419 Y420 N421 S425 F426 F427H397-S423 PolarHBondContact CE1-O 3.34Å; H397-S423 PolarHBondContact ND1-OG 2.91Å; W401-S423 PolarHBondContact NE1-OG 3.32Å; W419-S423 PolarHBondContact O-N 3.34Å; Y420-S423 WeakPolarHBondContact O-CB 3.41Å; Y420-S423 PolarHBondContact O-N 3.48Å; N421-S423 VanDerWaalsContact C-N 3.31Å; N421-S423 PolarHBondContact O-N 2.95Å; S423-S425 VanDerWaalsContact C-N 3.28Å; S423-S425 PolarHBondContact O-N 2.94Å; S423-F426 PolarHBondContact O-N 3.28Å; S423-F427 WeakPolarHBondContact O-CD2 3.18Å
424F91Very high85.6Confident71 Ų7148.7 Ų48.731%0.31128%0.284SS..Hα-helixtrans-62.3-36.3178.1-178.7-106.9000112.2Y420 N421 Y422 F426 F427 L436 L439Y420-F424 WeakPolarHBondContact O-CB 3.44Å; Y420-F424 PolarHBondContact O-N 3.09Å; N421-F424 PolarHBondContact O-N 3.36Å; Y422-F424 VanDerWaalsContact C-N 3.31Å; Y422-F424 PolarHBondContact O-N 3.5Å; F424-F426 PolarHBondContact O-N 3.48Å; F424-F426 VanDerWaalsContact O-N 3.12Å; F424-F427 PolarHBondContact O-N 3.26Å; F424-L436 HydrophobicContact CD2-CD1 3.91Å; F424-L436 HydrophobicContact CE2-CD1 3.96Å; F424-L439 HydrophobicContact CB-CD2 3.88Å; F424-L439 HydrophobicContact CD2-CD2 4.33Å
425S90.9Very high84.9Confident34 Ų3449.9 Ų49.924%0.23828%0.282CS..THydrogen-bonded Turntrans-65.4-12.5-17976.20000114.5I379 Y383 N421 Y422 S423I379-S425 WeakPolarHBondContact CD1-OG 3.35Å; I379-S425 VanDerWaalsContact CG1-OG 3.29Å; I379-S425 WeakPolarHBondContact CG1-OG 3.46Å; I379-S425 WeakPolarHBondContact CG2-OG 3.25Å; Y383-S425 WeakPolarHBondContact CE2-O 3.34Å; Y383-S425 PolarHBondContact OH-O 3.25Å; N421-S425 PolarHBondContact O-N 2.96Å; Y422-S425 PolarHBondContact O-N 2.94Å; Y422-S425 PolarHBondContact O-OG 3.37Å; S423-S425 VanDerWaalsContact C-N 3.28Å; S423-S425 PolarHBondContact O-N 2.94Å
426F89.1Confident84.6Confident6 Ų648 Ų483%0.02627%0.273CS..THydrogen-bonded Turntrans-87.5-13.2174.2-72.9-71.7000113.7I378 I379 H382 L388 L393 M396 L400 Y422 S423 F424I378-F426 HydrophobicContact CG2-CE1 4.08Å; I378-F426 HydrophobicContact CG2-CZ 3.93Å; I379-F426 HydrophobicContact CB-CZ 4.41Å; I379-F426 HydrophobicContact CD1-CE2 4.34Å; I379-F426 HydrophobicContact CD1-CZ 4.43Å; I379-F426 HydrophobicContact CG1-CD2 4.39Å; I379-F426 HydrophobicContact CG1-CE1 3.87Å; I379-F426 HydrophobicContact CG1-CE2 3.68Å; I379-F426 HydrophobicContact CG1-CZ 3.39Å; H382-F426 HydrophobicContact CB-CD1 4.34Å; H382-F426 HydrophobicContact CB-CE1 4.16Å; L388-F426 HydrophobicContact CD1-CE1 3.9Å; L388-F426 HydrophobicContact CD1-CZ 4.34Å; L393-F426 HydrophobicContact CD1-CB 3.93Å; L393-F426 HydrophobicContact CD1-CD1 3.64Å; L393-F426 HydrophobicContact CD1-CE1 4.3Å; L393-F426 HydrophobicContact CD1-CG 3.8Å; M396-F426 HydrophobicContact CE-CE2 4.29Å; M396-F426 HydrophobicContact CE-CZ 4.39Å; M396-F426 HydrophobicContact CG-CE2 4.08Å; M396-F426 HydrophobicContact CG-CZ 4.33Å; L400-F426 HydrophobicContact CD1-CD2 4.38Å; L400-F426 HydrophobicContact CD1-CE2 4.06Å; Y422-F426 VanDerWaalsContact O-CD2 3.24Å; Y422-F426 WeakPolarHBondContact O-CD2 3.32Å; S423-F426 PolarHBondContact O-N 3.28Å; F424-F426 PolarHBondContact O-N 3.48Å; F424-F426 VanDerWaalsContact O-N 3.12Å
427F85.4Confident84.2Confident19 Ų1948 Ų488%0.08327%0.273CS..SBendtrans-82.6140.5178.1-68.9-87.3000110.7Y383 H397 S423 F424 L436 L439Y383-F427 PolarHBondContact OH-O 3.36Å; H397-F427 AromaticContact CE1-CD2 3.99Å; H397-F427 AromaticContact CE1-CE2 3.29Å; H397-F427 WeakPolarHBondContact CE1-CE2 3.36Å; H397-F427 AromaticContact CE1-CZ 3.66Å; H397-F427 AromaticContact ND1-CE2 3.91Å; H397-F427 AromaticContact NE2-CE2 3.89Å; H397-F427 AromaticContact NE2-CZ 3.8Å; S423-F427 WeakPolarHBondContact O-CD2 3.18Å; F424-F427 PolarHBondContact O-N 3.26Å; F427-L436 HydrophobicContact CB-CD1 4.15Å; F427-L436 HydrophobicContact CD1-CB 4.21Å; F427-L436 HydrophobicContact CD1-CD1 4.09Å; F427-L436 HydrophobicContact CD2-CD1 3.92Å; F427-L436 HydrophobicContact CE1-CB 4.13Å; F427-L436 HydrophobicContact CE1-CD1 4.49Å; F427-L436 HydrophobicContact CE2-CD1 4.33Å; F427-L436 HydrophobicContact CG-CD1 3.78Å; F427-L439 HydrophobicContact CD2-CD2 4.03Å; F427-L439 HydrophobicContact CE2-CD2 3.62Å
428K79.8Confident83.9Confident124 Ų12451.1 Ų51.154%0.53929%0.286SS..PPolyproline II helixtrans-76.5146.9174.2-67.5179.3-176.9172.50110.1G430 Q431K428-G430 PolarHBondContact O-N 3.21Å; K428-Q431 HydrophobicContact CB-CB 4.46Å; K428-Q431 VanDerWaalsContact O-CB 3.26Å; K428-Q431 WeakPolarHBondContact O-CB 3.37Å; K428-Q431 PolarHBondContact O-N 3.5Å; K428-Q431 VanDerWaalsContact O-N 3.12Å
429A71.3Confident83.7Confident111 Ų11147.8 Ų47.892%0.91727%0.27SS*.THydrogen-bonded Turntrans-58.8125.8175.800000110.7
430G63.2Low83.5Confident62 Ų6248.1 Ų48.164%0.63927%0.272SS*.THydrogen-bonded Turntrans816.9-179.400000115.6K428K428-G430 PolarHBondContact O-N 3.21Å
431Q72.2Confident83.3Confident54 Ų5448.7 Ų48.725%0.25227%0.274SS..  trans-67.7129.3171.2-171.6172.7-3.800109.6K428 E433 L436K428-Q431 HydrophobicContact CB-CB 4.46Å; K428-Q431 VanDerWaalsContact O-CB 3.26Å; K428-Q431 WeakPolarHBondContact O-CB 3.37Å; K428-Q431 PolarHBondContact O-N 3.5Å; K428-Q431 VanDerWaalsContact O-N 3.12Å; Q431-E433 HydrophobicContact CG-CG 4.24Å; Q431-E433 VanDerWaalsContact NE2-CD 3.25Å; Q431-E433 PolarHBondContact NE2-OE1 2.92Å; Q431-L436 WeakPolarHBondContact O-CD2 3.44Å
432M64.5Low83.2Confident103 Ų10348.2 Ų48.251%0.50727%0.271SS..  trans-112.2102.4-179.1-66.2-70.7172.800108.7R465 S466M432-R465 HydrophobicContact CE-CB 4.28Å; M432-R465 HydrophobicContact SD-CB 4.48Å; M432-S466 PolarHBondContact SD-OG 2.91Å
433E72.3Confident83.2Confident78 Ų7849.2 Ų49.236%0.36428%0.275SS..  trans-141145.2179.1-74.3-179.3-167.300111.1Q431 N435 L436 A437Q431-E433 HydrophobicContact CG-CG 4.24Å; Q431-E433 VanDerWaalsContact NE2-CD 3.25Å; Q431-E433 PolarHBondContact NE2-OE1 2.92Å; E433-N435 VanDerWaalsContact C-N 3.25Å; E433-N435 PolarHBondContact O-N 3.07Å; E433-L436 WeakPolarHBondContact O-CB 3.44Å; E433-L436 PolarHBondContact O-N 3.08Å; E433-A437 PolarHBondContact O-N 3.29Å
434P71.8Confident83.2Confident80 Ų8049.2 Ų49.252%0.51928%0.275SS..Hα-helixtrans-56.5-36.6179.7-26.434.4000113.9L436 A437 K438P434-L436 VanDerWaalsContact C-N 3.29Å; P434-L436 PolarHBondContact O-N 2.93Å; P434-A437 WeakPolarHBondContact O-CB 3.35Å; P434-A437 PolarHBondContact O-N 3.28Å; P434-A437 VanDerWaalsContact O-N 3.16Å; P434-K438 PolarHBondContact O-N 3.46Å
435N81.3Confident83.2Confident89 Ų8947 Ų4748%0.47627%0.268SS..Hα-helixtrans-64.7-33.3176.7-76.6-32000112.6W401 E433 K438 L439W401-N435 HydrophobicContact CH2-CB 4.11Å; W401-N435 WeakPolarHBondContact CH2-O 3.27Å; E433-N435 VanDerWaalsContact C-N 3.25Å; E433-N435 PolarHBondContact O-N 3.07Å; N435-K438 PolarHBondContact O-N 3.34Å; N435-L439 WeakPolarHBondContact O-CB 3.49Å; N435-L439 PolarHBondContact O-N 3.48Å
436L86.1Confident83.3Confident6 Ų645.3 Ų45.33%0.03126%0.257CS..Hα-helixtrans-67.3-41.7173.2-178.462.2000110.8F424 F427 Q431 E433 P434 K438 L439 Q440F424-L436 HydrophobicContact CD2-CD1 3.91Å; F424-L436 HydrophobicContact CE2-CD1 3.96Å; F427-L436 HydrophobicContact CB-CD1 4.15Å; F427-L436 HydrophobicContact CD1-CB 4.21Å; F427-L436 HydrophobicContact CD1-CD1 4.09Å; F427-L436 HydrophobicContact CD2-CD1 3.92Å; F427-L436 HydrophobicContact CE1-CB 4.13Å; F427-L436 HydrophobicContact CE1-CD1 4.49Å; F427-L436 HydrophobicContact CE2-CD1 4.33Å; F427-L436 HydrophobicContact CG-CD1 3.78Å; Q431-L436 WeakPolarHBondContact O-CD2 3.44Å; E433-L436 WeakPolarHBondContact O-CB 3.44Å; E433-L436 PolarHBondContact O-N 3.08Å; P434-L436 VanDerWaalsContact C-N 3.29Å; P434-L436 PolarHBondContact O-N 2.93Å; L436-K438 VanDerWaalsContact C-N 3.33Å; L436-K438 PolarHBondContact O-N 3.42Å; L436-L439 WeakPolarHBondContact O-CB 3.45Å; L436-L439 PolarHBondContact O-N 3.39Å; L436-Q440 HydrophobicContact CD1-CG 4.27Å; L436-Q440 HydrophobicContact CG-CG 4.32Å; L436-Q440 WeakPolarHBondContact O-CB 3.46Å; L436-Q440 VanDerWaalsContact O-CG 3.25Å; L436-Q440 WeakPolarHBondContact O-CG 3.5Å; L436-Q440 PolarHBondContact O-N 2.92Å
437A86.4Confident83.5Confident0 Ų045.5 Ų45.50%026%0.258CS..Hα-helixtrans-61.7-41.117600000112.2E433 P434 Q440 R441 A463 D467E433-A437 PolarHBondContact O-N 3.29Å; P434-A437 WeakPolarHBondContact O-CB 3.35Å; P434-A437 PolarHBondContact O-N 3.28Å; P434-A437 VanDerWaalsContact O-N 3.16Å; A437-Q440 PolarHBondContact O-N 3.35Å; A437-R441 WeakPolarHBondContact O-CG 3.4Å; A437-R441 PolarHBondContact O-N 2.95Å; A437-R441 PolarHBondContact O-NE 3.08Å; A437-A463 HydrophobicContact CB-CB 4.45Å; A437-D467 HydrophobicContact CB-CB 3.38Å
438K89Confident83.7Confident82 Ų8245.2 Ų45.236%0.35726%0.257SS..Hα-helixtrans-60.2-46.9172.8-173.7171.2177.11760112W401 P434 N435 L436 Q440 R441 N442W401-K438 HydrophobicContact CH2-CB 4.35Å; W401-K438 HydrophobicContact CH2-CD 4.31Å; W401-K438 HydrophobicContact CH2-CG 4.43Å; W401-K438 HydrophobicContact CZ3-CD 3.86Å; W401-K438 HydrophobicContact CZ3-CG 4.32Å; P434-K438 PolarHBondContact O-N 3.46Å; N435-K438 PolarHBondContact O-N 3.34Å; L436-K438 VanDerWaalsContact C-N 3.33Å; L436-K438 PolarHBondContact O-N 3.42Å; K438-Q440 PolarHBondContact O-N 3.31Å; K438-R441 PolarHBondContact O-N 3.47Å; K438-N442 PolarHBondContact O-N 3.36Å
439L90.9Very high84.1Confident0 Ų043.2 Ų43.20%025%0.249CC..Hα-helixtrans-59.8-45.4176.2177.956.1000112.2W401 Y420 F424 F427 N435 L436 R441 N442 R443W401-L439 HydrophobicContact CZ2-CB 3.85Å; Y420-L439 HydrophobicContact CD1-CD1 3.45Å; Y420-L439 VanDerWaalsContact CD1-CD1 3.45Å; Y420-L439 HydrophobicContact CE1-CD1 4.4Å; Y420-L439 HydrophobicContact CG-CD1 3.9Å; F424-L439 HydrophobicContact CB-CD2 3.88Å; F424-L439 HydrophobicContact CD2-CD2 4.33Å; F427-L439 HydrophobicContact CD2-CD2 4.03Å; F427-L439 HydrophobicContact CE2-CD2 3.62Å; N435-L439 WeakPolarHBondContact O-CB 3.49Å; N435-L439 PolarHBondContact O-N 3.48Å; L436-L439 WeakPolarHBondContact O-CB 3.45Å; L436-L439 PolarHBondContact O-N 3.39Å; L439-R441 PolarHBondContact O-N 2.86Å; L439-N442 PolarHBondContact O-N 3.1Å; L439-R443 HydrophobicContact CD1-CG 4.22Å; L439-R443 HydrophobicContact CG-CG 4.49Å; L439-R443 WeakPolarHBondContact O-CG 3.32Å; L439-R443 PolarHBondContact O-N 3.09Å
440Q91.6Very high85Confident8 Ų840.5 Ų40.54%0.03722%0.219CC..Hα-helixtrans-63.5-39.7179.3-71-7229.400112.4L436 A437 K438 R443 A444 E462 A463L436-Q440 HydrophobicContact CD1-CG 4.27Å; L436-Q440 HydrophobicContact CG-CG 4.32Å; L436-Q440 WeakPolarHBondContact O-CB 3.46Å; L436-Q440 VanDerWaalsContact O-CG 3.25Å; L436-Q440 WeakPolarHBondContact O-CG 3.5Å; L436-Q440 PolarHBondContact O-N 2.92Å; A437-Q440 PolarHBondContact O-N 3.35Å; K438-Q440 PolarHBondContact O-N 3.31Å; Q440-R443 PolarHBondContact O-N 3.29Å; Q440-A444 VanDerWaalsContact O-CB 3.32Å; Q440-A444 WeakPolarHBondContact O-CB 3.33Å; Q440-A444 PolarHBondContact O-N 3.26Å; Q440-E462 HydrophobicContact CG-CB 4.45Å; Q440-A463 HydrophobicContact CB-CB 3.91Å
441R91.8Very high86.2Confident21 Ų2145.7 Ų45.78%0.07923%0.227CC..Hα-helixtrans-59.9-45171.8-73.3175.6-72.4-171.90.5112.1A437 K438 L439 A444 S445 I460 A463 D467 S470 T473A437-R441 WeakPolarHBondContact O-CG 3.4Å; A437-R441 PolarHBondContact O-N 2.95Å; A437-R441 PolarHBondContact O-NE 3.08Å; K438-R441 PolarHBondContact O-N 3.47Å; L439-R441 PolarHBondContact O-N 2.86Å; R441-A444 PolarHBondContact O-N 2.86Å; R441-S445 PolarHBondContact O-N 3.29Å; R441-I460 HydrophobicContact CG-CD1 4.2Å; R441-A463 HydrophobicContact CG-CB 3.97Å; R441-D467 IonicContact CZ-OD2 2.92Å; R441-D467 IonicContact NH1-OD2 2.63Å; R441-D467 IonicContact NH2-OD2 2.94Å; R441-D467 PolarHBondContact NH2-OD2 3Å; R441-S470 PolarHBondContact NH1-OG 3.21Å; R441-T473 PolarHBondContact NH1-OG1 3.03Å
442N91.7Very high87.1Confident47 Ų4746.5 Ų46.525%0.25123%0.231SC..Hα-helixtrans-64.8-42.8177.9-70.3-8.2000112.1Y420 K438 L439 S445 C446Y420-N442 HydrophobicContact CD1-CB 4.33Å; Y420-N442 HydrophobicContact CD2-CB 4.17Å; Y420-N442 HydrophobicContact CE1-CB 3.89Å; Y420-N442 HydrophobicContact CE2-CB 3.71Å; Y420-N442 HydrophobicContact CG-CB 4.47Å; Y420-N442 PolarHBondContact OH-ND2 3.33Å; K438-N442 PolarHBondContact O-N 3.36Å; L439-N442 PolarHBondContact O-N 3.1Å; N442-S445 WeakPolarHBondContact O-CB 3.49Å; N442-S445 PolarHBondContact O-N 3.16Å; N442-C446 PolarHBondContact O-N 3.3Å; N442-C446 VanDerWaalsContact O-N 3.07Å; N442-C446 PolarHBondContact O-SG 2.99Å
443R94.3Very high88.2Confident38 Ų3843.4 Ų43.414%0.14322%0.217CC..Hα-helixtrans-60.4-46.2173.6-70.7174.474.3-145.68.5111.4L417 Y420 N421 L439 Q440 S445 C446 L447L417-R443 HydrophobicContact CD1-CB 4.05Å; L417-R443 HydrophobicContact CD1-CG 4.16Å; Y420-R443 HydrophobicContact CG-CG 4.3Å; N421-R443 VanDerWaalsContact OD1-CZ 3.3Å; N421-R443 PolarHBondContact OD1-NE 3.49Å; N421-R443 PolarHBondContact OD1-NH2 2.91Å; L439-R443 HydrophobicContact CD1-CG 4.22Å; L439-R443 HydrophobicContact CG-CG 4.49Å; L439-R443 WeakPolarHBondContact O-CG 3.32Å; L439-R443 PolarHBondContact O-N 3.09Å; Q440-R443 PolarHBondContact O-N 3.29Å; R443-S445 VanDerWaalsContact C-N 3.33Å; R443-S445 PolarHBondContact O-N 3.21Å; R443-C446 WeakPolarHBondContact O-CB 3.44Å; R443-C446 PolarHBondContact O-N 3.37Å; R443-L447 WeakPolarHBondContact O-CB 3.44Å; R443-L447 VanDerWaalsContact O-CG 3.28Å; R443-L447 WeakPolarHBondContact O-CG 3.42Å; R443-L447 PolarHBondContact O-N 3.37Å
444A92.8Very high89Confident0 Ų045.5 Ų45.50%023%0.227CC..Hα-helixtrans-59.6-43.6176.400000111.6Q440 R441 C446 L447 L448 A456 A459 I460Q440-A444 VanDerWaalsContact O-CB 3.32Å; Q440-A444 WeakPolarHBondContact O-CB 3.33Å; Q440-A444 PolarHBondContact O-N 3.26Å; R441-A444 PolarHBondContact O-N 2.86Å; A444-C446 VanDerWaalsContact C-N 3.35Å; A444-C446 PolarHBondContact O-N 2.9Å; A444-L447 PolarHBondContact O-N 3.11Å; A444-L447 VanDerWaalsContact O-N 3.16Å; A444-L448 VanDerWaalsContact O-CG 3.26Å; A444-L448 WeakPolarHBondContact O-CG 3.34Å; A444-L448 PolarHBondContact O-N 3.15Å; A444-A456 HydrophobicContact CB-CB 4.44Å; A444-A459 HydrophobicContact CB-CB 4.02Å; A444-I460 HydrophobicContact CB-CD1 3.28Å; A444-I460 HydrophobicContact CB-CG1 3.47Å; A444-I460 VanDerWaalsContact CB-CG1 3.47Å
445S91.3Very high90Very high24 Ų2447.1 Ų47.117%0.16823%0.226CC..Hα-helixtrans-56.4-47.9174.9-167.40000111.6F408 R441 N442 R443 L447 L448 H449F408-S445 WeakPolarHBondContact CZ-OG 3.45Å; R441-S445 PolarHBondContact O-N 3.29Å; N442-S445 WeakPolarHBondContact O-CB 3.49Å; N442-S445 PolarHBondContact O-N 3.16Å; R443-S445 VanDerWaalsContact C-N 3.33Å; R443-S445 PolarHBondContact O-N 3.21Å; S445-L447 PolarHBondContact O-N 2.8Å; S445-L448 PolarHBondContact O-N 3.49Å; S445-H449 PolarHBondContact O-CD2 3.32Å; S445-H449 PolarHBondContact O-N 3.1Å; S445-H449 VanDerWaalsContact O-N 3.14Å
446C92.9Very high90.4Very high0 Ų042.9 Ų42.90%020%0.203CC..Hα-helixtrans-59.9-45.1175.3-59.20000112L417 N442 R443 A444 L448 H449 L450L417-C446 HydrophobicContact CB-CB 3.92Å; L417-C446 HydrophobicContact CD1-CB 4.25Å; N442-C446 PolarHBondContact O-N 3.3Å; N442-C446 VanDerWaalsContact O-N 3.07Å; N442-C446 PolarHBondContact O-SG 2.99Å; R443-C446 WeakPolarHBondContact O-CB 3.44Å; R443-C446 PolarHBondContact O-N 3.37Å; A444-C446 VanDerWaalsContact C-N 3.35Å; A444-C446 PolarHBondContact O-N 2.9Å; C446-L448 VanDerWaalsContact C-N 3.32Å; C446-L448 PolarHBondContact O-N 3.14Å; C446-H449 PolarHBondContact O-N 3.48Å; C446-L450 VanDerWaalsContact O-CG 3.29Å; C446-L450 WeakPolarHBondContact O-CG 3.44Å; C446-L450 PolarHBondContact O-N 2.96Å
447L93.1Very high90.7Very high10 Ų1044.3 Ų44.35%0.05221%0.209CC..Hα-helixtrans-62.6-36.7179.1-71.9164.4000112.4L417 R443 A444 S445 L450 Q451 Q452 K455 A456 A459L417-L447 HydrophobicContact CD1-CD2 4.42Å; L417-L447 HydrophobicContact CD1-CG 4.12Å; L417-L447 HydrophobicContact CD2-CD2 3.52Å; L417-L447 HydrophobicContact CD2-CG 4.03Å; R443-L447 WeakPolarHBondContact O-CB 3.44Å; R443-L447 VanDerWaalsContact O-CG 3.28Å; R443-L447 WeakPolarHBondContact O-CG 3.42Å; R443-L447 PolarHBondContact O-N 3.37Å; A444-L447 PolarHBondContact O-N 3.11Å; A444-L447 VanDerWaalsContact O-N 3.16Å; S445-L447 PolarHBondContact O-N 2.8Å; L447-L450 CarbonylContact O-C 3.59Å; L447-L450 PolarHBondContact O-N 3.33Å; L447-Q451 PolarHBondContact O-N 3.27Å; L447-Q452 HydrophobicContact CB-CB 4.45Å; L447-Q452 HydrophobicContact CD2-CB 3.9Å; L447-Q452 PolarHBondContact O-N 3.07Å; L447-K455 HydrophobicContact CD1-CB 3.92Å; L447-K455 HydrophobicContact CD2-CB 4.03Å; L447-K455 HydrophobicContact CD2-CD 4.32Å; L447-A456 HydrophobicContact CB-CB 3.83Å; L447-A459 HydrophobicContact CD1-CB 4.48Å
448L89.4Confident90.9Very high12 Ų1250.6 Ų50.66%0.06324%0.239CC..Hα-helixtrans-64.9-44.3175-68.7170000111.5A444 S445 C446 L450 Q451 A456 K479 I480A444-L448 VanDerWaalsContact O-CG 3.26Å; A444-L448 WeakPolarHBondContact O-CG 3.34Å; A444-L448 PolarHBondContact O-N 3.15Å; S445-L448 PolarHBondContact O-N 3.49Å; C446-L448 VanDerWaalsContact C-N 3.32Å; C446-L448 PolarHBondContact O-N 3.14Å; L448-L450 PolarHBondContact O-N 3.01Å; L448-Q451 PolarHBondContact O-N 3.43Å; L448-Q451 VanDerWaalsContact O-N 3.09Å; L448-A456 HydrophobicContact CD2-CB 3.73Å; L448-A456 HydrophobicContact CG-CB 3.86Å; L448-K479 HydrophobicContact CD1-CB 4.32Å; L448-I480 HydrophobicContact CD1-CG1 4.26Å; L448-I480 HydrophobicContact CD2-CG1 3.89Å
449H88.3Confident91Very high82 Ų8247 Ų4738%0.3822%0.224SC..Hα-helixtrans-64.8-29.4174.8-77.1-75.3000112.7F408 Y413 S445 C446 Q451F408-H449 AromaticContact CE2-CD2 3.93Å; F408-H449 AromaticContact CZ-CD2 3.84Å; F408-H449 AromaticContact CZ-NE2 3.84Å; Y413-H449 HydrophobicContact CD1-CB 3.78Å; Y413-H449 AromaticContact CD1-CG 3.93Å; Y413-H449 HydrophobicContact CD2-CB 3.5Å; Y413-H449 VanDerWaalsContact CD2-CB 3.5Å; Y413-H449 HydrophobicContact CE1-CB 3.98Å; Y413-H449 AromaticContact CE1-CD2 3.69Å; Y413-H449 AromaticContact CE1-CG 3.65Å; Y413-H449 HydrophobicContact CE2-CB 3.69Å; Y413-H449 AromaticContact CE2-CG 3.84Å; Y413-H449 AromaticContact CE2-ND1 3.85Å; Y413-H449 HydrophobicContact CG-CB 3.52Å; Y413-H449 AromaticContact CZ-CE1 3.97Å; Y413-H449 AromaticContact CZ-CG 3.58Å; Y413-H449 AromaticContact CZ-ND1 3.55Å; S445-H449 PolarHBondContact O-CD2 3.32Å; S445-H449 PolarHBondContact O-N 3.1Å; S445-H449 VanDerWaalsContact O-N 3.14Å; C446-H449 PolarHBondContact O-N 3.48Å; H449-Q451 VanDerWaalsContact C-N 3.28Å; H449-Q451 PolarHBondContact O-N 3.05Å
450L91.1Very high91Very high54 Ų5447.2 Ų47.228%0.28323%0.226SC..THydrogen-bonded Turntrans-84.36.4174.1-65.3171000114A414 L417 C446 L447 L448 Q452A414-L450 HydrophobicContact CB-CD1 4.42Å; A414-L450 HydrophobicContact CB-CD2 4.13Å; L417-L450 HydrophobicContact CB-CD1 4.5Å; L417-L450 HydrophobicContact CD2-CD1 3.85Å; C446-L450 VanDerWaalsContact O-CG 3.29Å; C446-L450 WeakPolarHBondContact O-CG 3.44Å; C446-L450 PolarHBondContact O-N 2.96Å; L447-L450 CarbonylContact O-C 3.59Å; L447-L450 PolarHBondContact O-N 3.33Å; L448-L450 PolarHBondContact O-N 3.01Å; L450-Q452 PolarHBondContact O-N 3.49Å; L450-Q452 VanDerWaalsContact O-N 3.16Å
451Q88.1Confident90.9Very high172 Ų17252.6 Ų52.680%0.80425%0.249SC*.THydrogen-bonded Turntrans59.121-177.8-54.1179.7200114.6L447 L448 H449 V453L447-Q451 PolarHBondContact O-N 3.27Å; L448-Q451 PolarHBondContact O-N 3.43Å; L448-Q451 VanDerWaalsContact O-N 3.09Å; H449-Q451 VanDerWaalsContact C-N 3.28Å; H449-Q451 PolarHBondContact O-N 3.05Å; Q451-V453 VanDerWaalsContact C-N 3.33Å; Q451-V453 PolarHBondContact O-N 3.34Å
452Q90.4Very high90.7Very high71 Ų7153.3 Ų53.333%0.33225%0.253SS..  trans-92.262.8176-68.4-176.151.300111L447 L450 E454 K455 A456L447-Q452 HydrophobicContact CB-CB 4.45Å; L447-Q452 HydrophobicContact CD2-CB 3.9Å; L447-Q452 PolarHBondContact O-N 3.07Å; L450-Q452 PolarHBondContact O-N 3.49Å; L450-Q452 VanDerWaalsContact O-N 3.16Å; Q452-E454 PolarHBondContact O-N 2.85Å; Q452-K455 PolarHBondContact O-N 3.28Å; Q452-A456 PolarHBondContact O-N 2.99Å; Q452-A456 VanDerWaalsContact O-N 3.11Å
453V88.3Confident90.6Very high37 Ų3751.1 Ų51.122%0.22424%0.241CC..Hα-helixtrans-59.3-42.1-169.7179.60000113.1Q451 K455 A456 K457Q451-V453 VanDerWaalsContact C-N 3.33Å; Q451-V453 PolarHBondContact O-N 3.34Å; V453-K455 PolarHBondContact O-N 3.22Å; V453-A456 WeakPolarHBondContact O-CB 3.41Å; V453-A456 PolarHBondContact O-N 2.89Å; V453-A456 VanDerWaalsContact O-N 3.14Å; V453-K457 HydrophobicContact CG1-CD 4.46Å; V453-K457 WeakPolarHBondContact O-CG 3.33Å; V453-K457 PolarHBondContact O-N 3.39Å
454E89.7Confident90.3Very high123 Ų12353.1 Ų53.158%0.57525%0.252SS*.Hα-helixtrans-63.1-40.8-179.3-66.9-53.1123.100113.1Q452 A456 K457 E458Q452-E454 PolarHBondContact O-N 2.85Å; E454-A456 VanDerWaalsContact C-N 3.34Å; E454-K457 WeakPolarHBondContact O-CB 3.12Å; E454-K457 PolarHBondContact O-N 2.86Å; E454-K457 IonicContact OE1-NZ 2.71Å; E454-K457 PolarHBondContact OE1-NZ 3.4Å; E454-E458 PolarHBondContact O-N 3.47Å
455K90.9Very high90Very high113 Ų11361.2 Ų61.249%0.49128%0.283SS..Hα-helixtrans-70.1-33.8175-65.1-175.2-170.5165.30111.9L447 Q452 V453 K457 E458 A459L447-K455 HydrophobicContact CD1-CB 3.92Å; L447-K455 HydrophobicContact CD2-CB 4.03Å; L447-K455 HydrophobicContact CD2-CD 4.32Å; Q452-K455 PolarHBondContact O-N 3.28Å; V453-K455 PolarHBondContact O-N 3.22Å; K455-K457 VanDerWaalsContact C-N 3.3Å; K455-E458 PolarHBondContact O-N 3.18Å; K455-A459 PolarHBondContact O-N 2.97Å
456A91.6Very high89.6Confident0 Ų061.3 Ų61.30%028%0.283CS..Hα-helixtrans-63.1-39.4174.200000111.1A444 L447 L448 Q452 V453 E454 E458 A459 I460 I480A444-A456 HydrophobicContact CB-CB 4.44Å; L447-A456 HydrophobicContact CB-CB 3.83Å; L448-A456 HydrophobicContact CD2-CB 3.73Å; L448-A456 HydrophobicContact CG-CB 3.86Å; Q452-A456 PolarHBondContact O-N 2.99Å; Q452-A456 VanDerWaalsContact O-N 3.11Å; V453-A456 WeakPolarHBondContact O-CB 3.41Å; V453-A456 PolarHBondContact O-N 2.89Å; V453-A456 VanDerWaalsContact O-N 3.14Å; E454-A456 VanDerWaalsContact C-N 3.34Å; A456-E458 PolarHBondContact O-N 3.22Å; A456-A459 PolarHBondContact O-N 3.46Å; A456-I460 WeakPolarHBondContact O-CG1 3.32Å; A456-I460 PolarHBondContact O-N 3.48Å; A456-I480 HydrophobicContact CB-CD1 4.4Å
457K90.5Very high89Confident36 Ų3662.7 Ų62.716%0.15729%0.291CS..Hα-helixtrans-59.9-44.4173.7-71.5167.8-177.2171.30112.3V453 E454 K455 I460 K461 I480 D484V453-K457 HydrophobicContact CG1-CD 4.46Å; V453-K457 WeakPolarHBondContact O-CG 3.33Å; V453-K457 PolarHBondContact O-N 3.39Å; E454-K457 WeakPolarHBondContact O-CB 3.12Å; E454-K457 PolarHBondContact O-N 2.86Å; E454-K457 IonicContact OE1-NZ 2.71Å; E454-K457 PolarHBondContact OE1-NZ 3.4Å; K455-K457 VanDerWaalsContact C-N 3.3Å; K457-I460 PolarHBondContact O-N 2.99Å; K457-K461 WeakPolarHBondContact O-CB 3.32Å; K457-K461 VanDerWaalsContact O-CG 3.27Å; K457-K461 WeakPolarHBondContact O-CG 3.3Å; K457-K461 PolarHBondContact O-N 3.35Å; K457-I480 HydrophobicContact CD-CG2 4.43Å; K457-I480 HydrophobicContact CG-CD1 4.34Å; K457-I480 HydrophobicContact CG-CG2 3.66Å; K457-D484 WeakPolarHBondContact CE-OD1 3.48Å; K457-D484 WeakPolarHBondContact CE-OD2 3.06Å; K457-D484 IonicContact NZ-OD1 2.8Å; K457-D484 PolarHBondContact NZ-OD1 3.09Å; K457-D484 IonicContact NZ-OD2 2.94Å; K457-D484 PolarHBondContact NZ-OD2 3.37Å
458E91.1Very high88.5Confident132 Ų13265 Ų6562%0.61731%0.306SS*.Hα-helixtrans-62.2-45.9177-69175.5176.300111.5E454 K455 A456 I460 K461 E462E454-E458 PolarHBondContact O-N 3.47Å; K455-E458 PolarHBondContact O-N 3.18Å; A456-E458 PolarHBondContact O-N 3.22Å; E458-I460 PolarHBondContact O-N 3.49Å; E458-K461 PolarHBondContact O-N 3.45Å; E458-E462 PolarHBondContact O-N 3.16Å; E458-E462 VanDerWaalsContact O-N 3.16Å
459A90.7Very high88.2Confident7 Ų771.3 Ų71.36%0.05834%0.335CS..Hα-helixtrans-61.5-43.6177.700000112.1A444 L447 K455 A456 E462 A463A444-A459 HydrophobicContact CB-CB 4.02Å; L447-A459 HydrophobicContact CD1-CB 4.48Å; K455-A459 PolarHBondContact O-N 2.97Å; A456-A459 PolarHBondContact O-N 3.46Å; A459-E462 PolarHBondContact O-N 3.04Å; A459-A463 PolarHBondContact O-N 3.36Å
460I92Very high88Confident5 Ų567.6 Ų67.63%0.02632%0.319CS..Hα-helixtrans-69.8-37177.9-67.4-50.3000112.7R441 A444 A456 K457 E458 E462 A463 E464 C476 I477 I480R441-I460 HydrophobicContact CG-CD1 4.2Å; A444-I460 HydrophobicContact CB-CD1 3.28Å; A444-I460 HydrophobicContact CB-CG1 3.47Å; A444-I460 VanDerWaalsContact CB-CG1 3.47Å; A456-I460 WeakPolarHBondContact O-CG1 3.32Å; A456-I460 PolarHBondContact O-N 3.48Å; K457-I460 PolarHBondContact O-N 2.99Å; E458-I460 PolarHBondContact O-N 3.49Å; I460-E462 PolarHBondContact O-N 3.4Å; I460-A463 WeakPolarHBondContact O-CB 3.43Å; I460-A463 PolarHBondContact O-N 3.34Å; I460-A463 VanDerWaalsContact O-N 3.15Å; I460-E464 WeakPolarHBondContact O-CB 3.27Å; I460-E464 PolarHBondContact O-N 3.41Å; I460-C476 HydrophobicContact CD1-CB 3.34Å; I460-C476 HydrophobicContact CG1-CB 3.91Å; I460-C476 HydrophobicContact CG2-CB 4.47Å; I460-I477 HydrophobicContact CG2-CB 4.47Å; I460-I477 HydrophobicContact CG2-CD1 4.46Å; I460-I477 HydrophobicContact CG2-CG1 3.44Å; I460-I477 VanDerWaalsContact CG2-CG1 3.44Å; I460-I480 HydrophobicContact CB-CD1 3.81Å; I460-I480 HydrophobicContact CG1-CD1 3.52Å; I460-I480 HydrophobicContact CG2-CD1 4.29Å
461K89.4Confident87.7Confident120 Ų12065.3 Ų65.352%0.52231%0.307SS..Hα-helixtrans-58.4-36.7172.7-77.8173.8-178.1176.20111.8K457 E458 R465K457-K461 WeakPolarHBondContact O-CB 3.32Å; K457-K461 VanDerWaalsContact O-CG 3.27Å; K457-K461 WeakPolarHBondContact O-CG 3.3Å; K457-K461 PolarHBondContact O-N 3.35Å; E458-K461 PolarHBondContact O-N 3.45Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.05Å; K461-R465 PolarHBondContact O-N 2.91Å; K461-R465 VanDerWaalsContact O-N 3.11Å
462E87.5Confident87.6Confident37 Ų3759.9 Ų59.917%0.17328%0.281CS..Hα-helixtrans-74.1-37.3176.5-162.859-159.200112.3Q440 E458 A459 I460 E464 R465 S466Q440-E462 HydrophobicContact CG-CB 4.45Å; E458-E462 PolarHBondContact O-N 3.16Å; E458-E462 VanDerWaalsContact O-N 3.16Å; A459-E462 PolarHBondContact O-N 3.04Å; I460-E462 PolarHBondContact O-N 3.4Å; E462-E464 VanDerWaalsContact C-N 3.35Å; E462-R465 PolarHBondContact O-N 3.19Å; E462-R465 WeakPolarHBondContact OE2-CD 3.45Å; E462-R465 IonicContact OE2-CZ 3.68Å; E462-R465 IonicContact OE2-NH1 3.78Å; E462-R465 PolarHBondContact OE2-NH1 3.06Å; E462-S466 PolarHBondContact O-N 2.96Å; E462-S466 PolarHBondContact O-OG 3.5Å
463A88.6Confident87.5Confident0 Ų056.5 Ų56.50%027%0.265CS..Hα-helixtrans-61.7-42.2171.500000112A437 Q440 R441 A459 I460 S466 D467 T473A437-A463 HydrophobicContact CB-CB 4.45Å; Q440-A463 HydrophobicContact CB-CB 3.91Å; R441-A463 HydrophobicContact CG-CB 3.97Å; A459-A463 PolarHBondContact O-N 3.36Å; I460-A463 WeakPolarHBondContact O-CB 3.43Å; I460-A463 PolarHBondContact O-N 3.34Å; I460-A463 VanDerWaalsContact O-N 3.15Å; A463-S466 PolarHBondContact O-N 2.96Å; A463-D467 PolarHBondContact O-N 3.35Å; A463-T473 HydrophobicContact CB-CG2 4.36Å
464E88.2Confident87.6Confident81 Ų8155.9 Ų55.938%0.37926%0.26SS..Hα-helixtrans-64.1-38.8177.2-175.4-180-160.500112.3I460 E462 S466 P468 T473 I477I460-E464 WeakPolarHBondContact O-CB 3.27Å; I460-E464 PolarHBondContact O-N 3.41Å; E462-E464 VanDerWaalsContact C-N 3.35Å; E464-S466 VanDerWaalsContact C-N 3.32Å; E464-S466 PolarHBondContact O-N 3.19Å; E464-P468 WeakPolarHBondContact O-CA 3.45Å; E464-P468 VanDerWaalsContact O-CB 3.31Å; E464-P468 WeakPolarHBondContact O-CB 3.46Å; E464-P468 VanDerWaalsContact O-CD 3.26Å; E464-P468 WeakPolarHBondContact O-CD 3.48Å; E464-T473 HydrophobicContact CB-CG2 4.13Å; E464-I477 HydrophobicContact CB-CD1 4.34Å; E464-I477 HydrophobicContact CG-CD1 4.04Å
465R86.3Confident87.6Confident170 Ų17050.9 Ų50.964%0.64224%0.236SC*.Hα-helixtrans-64.8-36.8174.3-74.2168.5-178.6167.9-2.9113M432 K461 E462M432-R465 HydrophobicContact CE-CB 4.28Å; M432-R465 HydrophobicContact SD-CB 4.48Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.05Å; K461-R465 PolarHBondContact O-N 2.91Å; K461-R465 VanDerWaalsContact O-N 3.11Å; E462-R465 PolarHBondContact O-N 3.19Å; E462-R465 WeakPolarHBondContact OE2-CD 3.45Å; E462-R465 IonicContact OE2-CZ 3.68Å; E462-R465 IonicContact OE2-NH1 3.78Å; E462-R465 PolarHBondContact OE2-NH1 3.06Å
466S83.3Confident87.5Confident25 Ų2546.2 Ų46.218%0.17522%0.218CC..Hα-helixtrans-83.3-37.9-176.7-66.70000113M432 E462 A463 E464M432-S466 PolarHBondContact SD-OG 2.91Å; E462-S466 PolarHBondContact O-N 2.96Å; E462-S466 PolarHBondContact O-OG 3.5Å; A463-S466 PolarHBondContact O-N 2.96Å; E464-S466 VanDerWaalsContact C-N 3.32Å; E464-S466 PolarHBondContact O-N 3.19Å
467D81.7Confident87.5Confident30 Ų3047.6 Ų47.616%0.1623%0.225CC..  trans-147.368.7-170.7-173.419.4000111.6A437 R441 A463 E469 S470 T473A437-D467 HydrophobicContact CB-CB 3.38Å; R441-D467 IonicContact CZ-OD2 2.92Å; R441-D467 IonicContact NH1-OD2 2.63Å; R441-D467 IonicContact NH2-OD2 2.94Å; R441-D467 PolarHBondContact NH2-OD2 3Å; A463-D467 PolarHBondContact O-N 3.35Å; D467-E469 VanDerWaalsContact C-N 3.34Å; D467-S470 VanDerWaalsContact CG-CB 3.4Å; D467-S470 WeakPolarHBondContact OD1-CB 3.47Å; D467-S470 WeakPolarHBondContact OD2-CB 3.42Å; D467-T473 WeakPolarHBondContact O-CB 3.38Å; D467-T473 PolarHBondContact O-OG1 2.6Å
468P82.4Confident87.5Confident58 Ų5845.9 Ų45.938%0.37722%0.217SC..THydrogen-bonded Turntrans-71.8-27.8-177.526.2-31.7000113.3E464 S470 Q474E464-P468 WeakPolarHBondContact O-CA 3.45Å; E464-P468 VanDerWaalsContact O-CB 3.31Å; E464-P468 WeakPolarHBondContact O-CB 3.46Å; E464-P468 VanDerWaalsContact O-CD 3.26Å; E464-P468 WeakPolarHBondContact O-CD 3.48Å; P468-S470 PolarHBondContact O-N 2.96Å; P468-Q474 PolarHBondContact O-NE2 3.39Å
469E82Confident87.5Confident144 Ų14441.5 Ų41.567%0.67320%0.196SC*.THydrogen-bonded Turntrans-81.91.7-176.9-63.6-63.5151.900113D467 L500D467-E469 VanDerWaalsContact C-N 3.34Å; E469-L500 WeakPolarHBondContact O-CD1 3.49Å; E469-L500 VanDerWaalsContact O-CD2 3.3Å; E469-L500 WeakPolarHBondContact O-CD2 3.4Å; E469-L500 WeakPolarHBondContact OE2-CD2 3.4Å
470S84.3Confident87.4Confident4 Ų441.8 Ų41.83%0.02820%0.197CC..  trans-89.5128178-1720000112.5R441 D467 P468 F472 T473 Q474R441-S470 PolarHBondContact NH1-OG 3.21Å; D467-S470 VanDerWaalsContact CG-CB 3.4Å; D467-S470 WeakPolarHBondContact OD1-CB 3.47Å; D467-S470 WeakPolarHBondContact OD2-CB 3.42Å; P468-S470 PolarHBondContact O-N 2.96Å; S470-F472 PolarHBondContact O-N 3.23Å; S470-T473 WeakPolarHBondContact O-CB 3.47Å; S470-T473 PolarHBondContact O-N 2.91Å; S470-Q474 PolarHBondContact O-N 2.86Å
471I84.9Confident87.3Confident7 Ų741.7 Ų41.74%0.03620%0.197CC..Hα-helixtrans-57.3-33.6178-167170.4000112.5T473 Q474 F475 M497 L513 A518 L521I471-T473 VanDerWaalsContact C-N 3.33Å; I471-Q474 PolarHBondContact O-N 3.18Å; I471-F475 WeakPolarHBondContact O-CB 3.28Å; I471-F475 PolarHBondContact O-N 3.49Å; I471-M497 HydrophobicContact CG1-CB 4.19Å; I471-M497 HydrophobicContact CG1-CE 4.26Å; I471-M497 HydrophobicContact CG1-CG 4.06Å; I471-L513 HydrophobicContact CG2-CD1 4.11Å; I471-L513 HydrophobicContact CG2-CD2 3.65Å; I471-A518 HydrophobicContact CD1-CB 3.62Å; I471-L521 HydrophobicContact CD1-CD1 4.19Å; I471-L521 HydrophobicContact CG1-CD1 4.11Å; I471-L521 HydrophobicContact CG2-CD1 4.02Å
472F85.6Confident87.3Confident58 Ų5836.4 Ų36.425%0.25417%0.174SC..Hα-helixtrans-73.2-27.2178-50.8-85.1000112.3S470 C476 L513 L521S470-F472 PolarHBondContact O-N 3.23Å; F472-C476 PolarHBondContact O-N 3.37Å; F472-C476 PolarHBondContact O-SG 3.43Å; F472-L513 HydrophobicContact CE1-CD2 4.47Å; F472-L513 HydrophobicContact CE2-CD1 4.3Å; F472-L513 HydrophobicContact CE2-CD2 3.6Å; F472-L513 HydrophobicContact CE2-CG 3.99Å; F472-L513 HydrophobicContact CZ-CD2 3.52Å; F472-L513 HydrophobicContact CZ-CG 4.23Å; F472-L521 HydrophobicContact CD1-CD1 3.83Å; F472-L521 HydrophobicContact CD1-CD2 4.37Å; F472-L521 HydrophobicContact CE1-CD1 3.84Å; F472-L521 HydrophobicContact CE1-CD2 4.48Å
473T88.1Confident87.2Confident0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-67-49.3172.8-55.80000109.7R441 A463 E464 D467 S470 I471 F475 C476 I477R441-T473 PolarHBondContact NH1-OG1 3.03Å; A463-T473 HydrophobicContact CB-CG2 4.36Å; E464-T473 HydrophobicContact CB-CG2 4.13Å; D467-T473 WeakPolarHBondContact O-CB 3.38Å; D467-T473 PolarHBondContact O-OG1 2.6Å; S470-T473 WeakPolarHBondContact O-CB 3.47Å; S470-T473 PolarHBondContact O-N 2.91Å; I471-T473 VanDerWaalsContact C-N 3.33Å; T473-F475 VanDerWaalsContact C-N 3.3Å; T473-F475 PolarHBondContact O-N 2.93Å; T473-C476 PolarHBondContact O-N 3.21Å; T473-C476 VanDerWaalsContact O-N 3.09Å; T473-I477 HydrophobicContact CG2-CD1 4.37Å; T473-I477 WeakPolarHBondContact O-CG1 3Å; T473-I477 PolarHBondContact O-N 3.08Å
474Q90.2Very high87Confident24 Ų2442.1 Ų42.111%0.11220%0.203CC..Hα-helixtrans-59.7-39.9175.1-63.2-58.3-3200112.2P468 S470 I471 C476 I477 Y478 A496 M497 L500P468-Q474 PolarHBondContact O-NE2 3.39Å; S470-Q474 PolarHBondContact O-N 2.86Å; I471-Q474 PolarHBondContact O-N 3.18Å; Q474-C476 VanDerWaalsContact C-N 3.34Å; Q474-C476 PolarHBondContact O-N 3.39Å; Q474-I477 WeakPolarHBondContact O-CB 3.49Å; Q474-I477 PolarHBondContact O-N 3.05Å; Q474-Y478 WeakPolarHBondContact O-CB 3.29Å; Q474-Y478 PolarHBondContact O-N 3.43Å; Q474-A496 HydrophobicContact CG-CB 3.96Å; Q474-M497 HydrophobicContact CB-CG 3.57Å; Q474-L500 HydrophobicContact CG-CD1 3.82Å
475F90.3Very high86.8Confident17 Ų1742.2 Ų42.28%0.07521%0.206CC..Hα-helixtrans-62.4-38.2174.5-177.4-110000113I471 T473 Y478 K479 M497 L521 L524 A525 I528I471-F475 WeakPolarHBondContact O-CB 3.28Å; I471-F475 PolarHBondContact O-N 3.49Å; T473-F475 VanDerWaalsContact C-N 3.3Å; T473-F475 PolarHBondContact O-N 2.93Å; F475-Y478 HydrophobicContact CD2-CD1 4.47Å; F475-Y478 HydrophobicContact CE2-CD1 4.46Å; F475-Y478 WeakPolarHBondContact O-CB 3.33Å; F475-Y478 PolarHBondContact O-N 3.3Å; F475-K479 HydrophobicContact CD1-CD 4.23Å; F475-K479 HydrophobicContact CE1-CD 3.66Å; F475-K479 HydrophobicContact CE1-CG 4.19Å; F475-K479 HydrophobicContact CZ-CD 4.02Å; F475-K479 HydrophobicContact CZ-CG 4.2Å; F475-K479 WeakPolarHBondContact O-CG 2.95Å; F475-K479 PolarHBondContact O-N 2.93Å; F475-M497 HydrophobicContact CB-CE 4.03Å; F475-M497 HydrophobicContact CB-SD 4Å; F475-M497 HydrophobicContact CD2-CE 3.78Å; F475-M497 HydrophobicContact CD2-SD 4.14Å; F475-M497 HydrophobicContact CG-CE 4.34Å; F475-L521 HydrophobicContact CD1-CD2 4.04Å; F475-L521 HydrophobicContact CD2-CD2 4.41Å; F475-L521 HydrophobicContact CE1-CD2 4.18Å; F475-L521 HydrophobicContact CG-CD2 4.15Å; F475-L521 HydrophobicContact CZ-CD2 4.45Å; F475-L524 HydrophobicContact CE1-CD2 4.12Å; F475-L524 HydrophobicContact CE2-CB 4.49Å; F475-L524 HydrophobicContact CE2-CG 4.48Å; F475-L524 HydrophobicContact CZ-CB 4.3Å; F475-L524 HydrophobicContact CZ-CD2 3.58Å; F475-L524 HydrophobicContact CZ-CG 3.87Å; F475-A525 HydrophobicContact CD2-CB 4.47Å; F475-A525 HydrophobicContact CE2-CB 4.06Å; F475-I528 HydrophobicContact CE2-CD1 4.38Å; F475-I528 HydrophobicContact CZ-CD1 3.8Å
476C89Confident86.9Confident16 Ų1636.7 Ų36.711%0.10819%0.189CC..Hα-helixtrans-68.8-39.7174.9-670000112.2I460 F472 T473 Q474 Y478 K479 I480I460-C476 HydrophobicContact CD1-CB 3.34Å; I460-C476 HydrophobicContact CG1-CB 3.91Å; I460-C476 HydrophobicContact CG2-CB 4.47Å; F472-C476 PolarHBondContact O-N 3.37Å; F472-C476 PolarHBondContact O-SG 3.43Å; T473-C476 PolarHBondContact O-N 3.21Å; T473-C476 VanDerWaalsContact O-N 3.09Å; Q474-C476 VanDerWaalsContact C-N 3.34Å; Q474-C476 PolarHBondContact O-N 3.39Å; C476-Y478 VanDerWaalsContact C-N 3.29Å; C476-Y478 PolarHBondContact O-N 3.34Å; C476-K479 PolarHBondContact O-N 3.24Å; C476-I480 WeakPolarHBondContact O-CG1 3.47Å; C476-I480 PolarHBondContact O-N 2.67Å; C476-I480 VanDerWaalsContact O-N 3.13Å
477I91.3Very high87.1Confident29 Ų2939.3 Ų39.315%0.14920%0.204CC..Hα-helixtrans-58-45.8172.5-65.9168.3000109.8I460 E464 T473 Q474 I480 A481 A493I460-I477 HydrophobicContact CG2-CB 4.47Å; I460-I477 HydrophobicContact CG2-CD1 4.46Å; I460-I477 HydrophobicContact CG2-CG1 3.44Å; I460-I477 VanDerWaalsContact CG2-CG1 3.44Å; E464-I477 HydrophobicContact CB-CD1 4.34Å; E464-I477 HydrophobicContact CG-CD1 4.04Å; T473-I477 HydrophobicContact CG2-CD1 4.37Å; T473-I477 WeakPolarHBondContact O-CG1 3Å; T473-I477 PolarHBondContact O-N 3.08Å; Q474-I477 WeakPolarHBondContact O-CB 3.49Å; Q474-I477 PolarHBondContact O-N 3.05Å; I477-I480 PolarHBondContact O-N 3.4Å; I477-A481 WeakPolarHBondContact O-CB 3.49Å; I477-A481 PolarHBondContact O-N 3.13Å; I477-A493 HydrophobicContact CB-CB 4.44Å; I477-A493 HydrophobicContact CG2-CB 4.12Å
478Y91.6Very high87.5Confident0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-57.2-49.6175.3170.3-95.9000112.4Q474 F475 C476 I480 A481 V482 A490 L494 A525 A529 T537Q474-Y478 WeakPolarHBondContact O-CB 3.29Å; Q474-Y478 PolarHBondContact O-N 3.43Å; F475-Y478 HydrophobicContact CD2-CD1 4.47Å; F475-Y478 HydrophobicContact CE2-CD1 4.46Å; F475-Y478 WeakPolarHBondContact O-CB 3.33Å; F475-Y478 PolarHBondContact O-N 3.3Å; C476-Y478 VanDerWaalsContact C-N 3.29Å; C476-Y478 PolarHBondContact O-N 3.34Å; Y478-I480 VanDerWaalsContact C-N 3.28Å; Y478-I480 PolarHBondContact O-N 3Å; Y478-A481 PolarHBondContact O-N 2.66Å; Y478-A481 VanDerWaalsContact O-N 3.09Å; Y478-V482 HydrophobicContact CD1-CG2 4.3Å; Y478-V482 HydrophobicContact CD2-CG2 4.16Å; Y478-V482 HydrophobicContact CE1-CG2 3.76Å; Y478-V482 HydrophobicContact CE2-CG2 3.64Å; Y478-V482 HydrophobicContact CG-CG2 4.48Å; Y478-V482 VanDerWaalsContact CZ-CG2 3.43Å; Y478-V482 WeakPolarHBondContact O-CG2 3.37Å; Y478-V482 PolarHBondContact O-N 2.81Å; Y478-A490 HydrophobicContact CD2-CB 3.99Å; Y478-A490 HydrophobicContact CE2-CB 4.06Å; Y478-L494 HydrophobicContact CD2-CD1 4.16Å; Y478-L494 HydrophobicContact CD2-CD2 3.89Å; Y478-L494 HydrophobicContact CD2-CG 3.66Å; Y478-L494 HydrophobicContact CE2-CD1 3.67Å; Y478-L494 HydrophobicContact CE2-CD2 3.82Å; Y478-L494 HydrophobicContact CE2-CG 3.66Å; Y478-L494 HydrophobicContact CG-CD2 4.44Å; Y478-A525 HydrophobicContact CD1-CB 3.95Å; Y478-A525 HydrophobicContact CE1-CB 3.47Å; Y478-A525 VanDerWaalsContact CE1-CB 3.47Å; Y478-A525 PolarHBondContact OH-O 2.86Å; Y478-A529 VanDerWaalsContact OH-CB 3.31Å; Y478-A529 WeakPolarHBondContact OH-CB 3.5Å; Y478-T537 HydrophobicContact CE2-CG2 3.91Å
479K89.3Confident87.8Confident39 Ų3946.4 Ų46.417%0.1723%0.23CC..Hα-helixtrans-56.6-42.6178.9-74.8-175.171.2177.80112.2L448 F475 C476 Q483 I528L448-K479 HydrophobicContact CD1-CB 4.32Å; F475-K479 HydrophobicContact CD1-CD 4.23Å; F475-K479 HydrophobicContact CE1-CD 3.66Å; F475-K479 HydrophobicContact CE1-CG 4.19Å; F475-K479 HydrophobicContact CZ-CD 4.02Å; F475-K479 HydrophobicContact CZ-CG 4.2Å; F475-K479 WeakPolarHBondContact O-CG 2.95Å; F475-K479 PolarHBondContact O-N 2.93Å; C476-K479 PolarHBondContact O-N 3.24Å; K479-Q483 WeakPolarHBondContact O-CG 3.29Å; K479-Q483 PolarHBondContact O-N 3.48Å; K479-I528 HydrophobicContact CD-CD1 4.03Å; K479-I528 HydrophobicContact CG-CD1 3.92Å
480I90Very high88.2Confident14 Ų1439.6 Ų39.67%0.07220%0.198CC..Hα-helixtrans-65.5-46176-68.2176.3000110.5L448 A456 K457 I460 C476 I477 Y478 V482 Q483 D484L448-I480 HydrophobicContact CD1-CG1 4.26Å; L448-I480 HydrophobicContact CD2-CG1 3.89Å; A456-I480 HydrophobicContact CB-CD1 4.4Å; K457-I480 HydrophobicContact CD-CG2 4.43Å; K457-I480 HydrophobicContact CG-CD1 4.34Å; K457-I480 HydrophobicContact CG-CG2 3.66Å; I460-I480 HydrophobicContact CB-CD1 3.81Å; I460-I480 HydrophobicContact CG1-CD1 3.52Å; I460-I480 HydrophobicContact CG2-CD1 4.29Å; C476-I480 WeakPolarHBondContact O-CG1 3.47Å; C476-I480 PolarHBondContact O-N 2.67Å; C476-I480 VanDerWaalsContact O-N 3.13Å; I477-I480 PolarHBondContact O-N 3.4Å; Y478-I480 VanDerWaalsContact C-N 3.28Å; Y478-I480 PolarHBondContact O-N 3Å; I480-V482 VanDerWaalsContact C-N 3.3Å; I480-V482 PolarHBondContact O-N 3.21Å; I480-Q483 PolarHBondContact O-N 3.48Å; I480-Q483 VanDerWaalsContact O-N 3.14Å; I480-D484 WeakPolarHBondContact O-CB 3.49Å; I480-D484 PolarHBondContact O-N 3.43Å
481A90.4Very high88.4Confident3 Ų340.5 Ų40.53%0.02521%0.206CC..Hα-helixtrans-61.5-36.8-179.100000112.8I477 Y478 D484 D485 N486 K489 A490I477-A481 WeakPolarHBondContact O-CB 3.49Å; I477-A481 PolarHBondContact O-N 3.13Å; Y478-A481 PolarHBondContact O-N 2.66Å; Y478-A481 VanDerWaalsContact O-N 3.09Å; A481-D484 PolarHBondContact O-N 3.18Å; A481-D485 PolarHBondContact O-N 3.46Å; A481-N486 PolarHBondContact O-N 3.24Å; A481-K489 HydrophobicContact CB-CB 3.93Å; A481-A490 HydrophobicContact CB-CB 3.91Å
482V88.4Confident88.7Confident9 Ų945 Ų456%0.05523%0.227CC..Hα-helixtrans-65.3-40.7174.3173.20000111.6Y478 I480 D485 A490 I528 N532 T537Y478-V482 HydrophobicContact CD1-CG2 4.3Å; Y478-V482 HydrophobicContact CD2-CG2 4.16Å; Y478-V482 HydrophobicContact CE1-CG2 3.76Å; Y478-V482 HydrophobicContact CE2-CG2 3.64Å; Y478-V482 HydrophobicContact CG-CG2 4.48Å; Y478-V482 VanDerWaalsContact CZ-CG2 3.43Å; Y478-V482 WeakPolarHBondContact O-CG2 3.37Å; Y478-V482 PolarHBondContact O-N 2.81Å; I480-V482 VanDerWaalsContact C-N 3.3Å; I480-V482 PolarHBondContact O-N 3.21Å; V482-D485 PolarHBondContact O-N 2.65Å; V482-A490 HydrophobicContact CG2-CB 4.43Å; V482-I528 HydrophobicContact CG1-CG2 4.29Å; V482-N532 HydrophobicContact CG1-CB 3.84Å; V482-T537 HydrophobicContact CG2-CG2 4.36Å
483Q85.2Confident88.9Confident84 Ų8442.3 Ų42.339%0.39322%0.215SC..Hα-helixtrans-68.8-35.5176.6-71.6-175.2-10.700112.8K479 I480 D485K479-Q483 WeakPolarHBondContact O-CG 3.29Å; K479-Q483 PolarHBondContact O-N 3.48Å; I480-Q483 PolarHBondContact O-N 3.48Å; I480-Q483 VanDerWaalsContact O-N 3.14Å; Q483-D485 PolarHBondContact O-N 3.19Å
484D85.3Confident89Confident72 Ų7242.3 Ų42.339%0.38522%0.215SC..THydrogen-bonded Turntrans-78.6-1.1179.1-89.81000114.4K457 I480 A481 N486K457-D484 WeakPolarHBondContact CE-OD1 3.48Å; K457-D484 WeakPolarHBondContact CE-OD2 3.06Å; K457-D484 IonicContact NZ-OD1 2.8Å; K457-D484 PolarHBondContact NZ-OD1 3.09Å; K457-D484 IonicContact NZ-OD2 2.94Å; K457-D484 PolarHBondContact NZ-OD2 3.37Å; I480-D484 WeakPolarHBondContact O-CB 3.49Å; I480-D484 PolarHBondContact O-N 3.43Å; A481-D484 PolarHBondContact O-N 3.18Å; D484-N486 HydrophobicContact CB-CB 4.42Å; D484-N486 PolarHBondContact O-N 3.22Å
485D83.3Confident88.9Confident83 Ų8344.9 Ų44.944%0.44423%0.23SC..THydrogen-bonded Turntrans55.332.6-170.4-158.411.1000114A481 V482 Q483 V487 R534A481-D485 PolarHBondContact O-N 3.46Å; V482-D485 PolarHBondContact O-N 2.65Å; Q483-D485 PolarHBondContact O-N 3.19Å; D485-V487 PolarHBondContact O-N 3.12Å; D485-R534 IonicContact OD1-CZ 3.31Å; D485-R534 IonicContact OD1-NE 2.78Å; D485-R534 IonicContact OD1-NH1 3.86Å; D485-R534 PolarHBondContact OD1-NH1 3.21Å; D485-R534 IonicContact OD1-NH2 2.95Å; D485-R534 PolarHBondContact OD1-NH2 3.42Å; D485-R534 IonicContact OD2-CZ 3.68Å; D485-R534 IonicContact OD2-NH1 3.69Å; D485-R534 PolarHBondContact OD2-NH1 3.31Å; D485-R534 IonicContact OD2-NH2 3.93Å; D485-R534 PolarHBondContact OD2-NH2 2.71Å
486N87.8Confident88.8Confident54 Ų5445.5 Ų45.529%0.28924%0.238SC..  trans-97.283.1178.1-163.8-38.6000110.9A481 D484 Q488 K489 A490A481-N486 PolarHBondContact O-N 3.24Å; D484-N486 HydrophobicContact CB-CB 4.42Å; D484-N486 PolarHBondContact O-N 3.22Å; N486-Q488 VanDerWaalsContact C-N 3.27Å; N486-Q488 PolarHBondContact O-N 3.08Å; N486-Q488 PolarHBondContact OD1-N 3.11Å; N486-K489 HydrophobicContact CB-CB 4.26Å; N486-K489 WeakPolarHBondContact ND2-CD 3.26Å; N486-K489 PolarHBondContact O-N 3.48Å; N486-K489 WeakPolarHBondContact OD1-CG 3.29Å; N486-K489 PolarHBondContact OD1-N 3.01Å; N486-A490 WeakPolarHBondContact O-CB 3.46Å; N486-A490 PolarHBondContact O-N 3.33Å
487V88Confident88.8Confident81 Ų8144.8 Ų44.849%0.49123%0.233SC..Hα-helixtrans-57.1-39.4-178.4-178.20000112.3D485 A490 A491D485-V487 PolarHBondContact O-N 3.12Å; V487-A490 PolarHBondContact O-N 3.42Å; V487-A491 WeakPolarHBondContact O-CB 3.4Å; V487-A491 PolarHBondContact O-N 2.97Å
488Q89.4Confident88.4Confident123 Ų12343.4 Ų43.458%0.57523%0.226SC*.Hα-helixtrans-65-49.7-178.4-178.461.323.200111.5N486 A490 A491 E492N486-Q488 VanDerWaalsContact C-N 3.27Å; N486-Q488 PolarHBondContact O-N 3.08Å; N486-Q488 PolarHBondContact OD1-N 3.11Å; Q488-A490 VanDerWaalsContact C-N 3.32Å; Q488-A490 PolarHBondContact O-N 2.71Å; Q488-A491 PolarHBondContact O-N 2.87Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.03Å; Q488-E492 PolarHBondContact NE2-OE1 2.63Å; Q488-E492 WeakPolarHBondContact O-CG 3.25Å; Q488-E492 PolarHBondContact O-N 2.88Å
489K88.9Confident88.1Confident113 Ų11348 Ų4849%0.49125%0.254SS..Hα-helixtrans-65-36.5177-73.2-173.1-178.7-178.40112.5A481 N486 A491 E492 A493A481-K489 HydrophobicContact CB-CB 3.93Å; N486-K489 HydrophobicContact CB-CB 4.26Å; N486-K489 WeakPolarHBondContact ND2-CD 3.26Å; N486-K489 PolarHBondContact O-N 3.48Å; N486-K489 WeakPolarHBondContact OD1-CG 3.29Å; N486-K489 PolarHBondContact OD1-N 3.01Å; K489-A491 VanDerWaalsContact C-N 3.32Å; K489-E492 PolarHBondContact O-N 2.84Å; K489-A493 WeakPolarHBondContact O-CB 3.49Å; K489-A493 PolarHBondContact O-N 3.36Å
490A90.8Very high87.8Confident1 Ų147.3 Ų47.31%0.00825%0.252CS..Hα-helixtrans-62.1-42.1175.100000111Y478 A481 V482 N486 V487 Q488 L494 T537Y478-A490 HydrophobicContact CD2-CB 3.99Å; Y478-A490 HydrophobicContact CE2-CB 4.06Å; A481-A490 HydrophobicContact CB-CB 3.91Å; V482-A490 HydrophobicContact CG2-CB 4.43Å; N486-A490 WeakPolarHBondContact O-CB 3.46Å; N486-A490 PolarHBondContact O-N 3.33Å; V487-A490 PolarHBondContact O-N 3.42Å; Q488-A490 VanDerWaalsContact C-N 3.32Å; Q488-A490 PolarHBondContact O-N 2.71Å; A490-L494 VanDerWaalsContact O-CG 3.29Å; A490-L494 WeakPolarHBondContact O-CG 3.26Å; A490-L494 PolarHBondContact O-N 3.5Å; A490-T537 HydrophobicContact CB-CG2 4.07Å
491A88.9Confident87.2Confident23 Ų2348 Ų4819%0.1926%0.259CS..Hα-helixtrans-66.7-41.8176.500000112.6V487 Q488 K489 L494 N495V487-A491 WeakPolarHBondContact O-CB 3.4Å; V487-A491 PolarHBondContact O-N 2.97Å; Q488-A491 PolarHBondContact O-N 2.87Å; K489-A491 VanDerWaalsContact C-N 3.32Å; A491-L494 PolarHBondContact O-N 3.42Å; A491-N495 VanDerWaalsContact O-CG 3.28Å; A491-N495 PolarHBondContact O-N 3.49Å; A491-N495 PolarHBondContact O-ND2 3.06Å
492E90.3Very high86.2Confident102 Ų10253.8 Ų53.848%0.47728%0.283SS..Hα-helixtrans-59.7-47175.3-73.6166.6-170.200111.7Q488 K489 L494 N495 A496Q488-E492 WeakPolarHBondContact CG-OE1 3.03Å; Q488-E492 PolarHBondContact NE2-OE1 2.63Å; Q488-E492 WeakPolarHBondContact O-CG 3.25Å; Q488-E492 PolarHBondContact O-N 2.88Å; K489-E492 PolarHBondContact O-N 2.84Å; E492-L494 PolarHBondContact O-N 3.27Å; E492-N495 PolarHBondContact O-N 3.12Å; E492-A496 PolarHBondContact O-N 3.23Å
493A90.2Very high85.1Confident2 Ų256 Ų562%0.01730%0.299CS..Hα-helixtrans-63-41.5177.200000112.3I477 K489 A496 M497I477-A493 HydrophobicContact CB-CB 4.44Å; I477-A493 HydrophobicContact CG2-CB 4.12Å; K489-A493 WeakPolarHBondContact O-CB 3.49Å; K489-A493 PolarHBondContact O-N 3.36Å; A493-A496 PolarHBondContact O-N 3.18Å; A493-M497 VanDerWaalsContact O-CG 3.3Å; A493-M497 WeakPolarHBondContact O-CG 3.48Å; A493-M497 PolarHBondContact O-N 3.02Å
494L90.6Very high83.7Confident0 Ų058 Ų580%032%0.319CS..Hα-helixtrans-62.8-44.7175.9-75.2172.4000112.1Y478 A490 A491 E492 A496 M497 G498 L522 A525 K540 A541 V544Y478-L494 HydrophobicContact CD2-CD1 4.16Å; Y478-L494 HydrophobicContact CD2-CD2 3.89Å; Y478-L494 HydrophobicContact CD2-CG 3.66Å; Y478-L494 HydrophobicContact CE2-CD1 3.67Å; Y478-L494 HydrophobicContact CE2-CD2 3.82Å; Y478-L494 HydrophobicContact CE2-CG 3.66Å; Y478-L494 HydrophobicContact CG-CD2 4.44Å; A490-L494 VanDerWaalsContact O-CG 3.29Å; A490-L494 WeakPolarHBondContact O-CG 3.26Å; A490-L494 PolarHBondContact O-N 3.5Å; A491-L494 PolarHBondContact O-N 3.42Å; E492-L494 PolarHBondContact O-N 3.27Å; L494-A496 VanDerWaalsContact C-N 3.32Å; L494-A496 PolarHBondContact O-N 3.4Å; L494-M497 HydrophobicContact CD2-SD 4.48Å; L494-M497 WeakPolarHBondContact O-CB 3.24Å; L494-M497 PolarHBondContact O-N 3.09Å; L494-G498 PolarHBondContact O-N 2.86Å; L494-L522 HydrophobicContact CD2-CD2 4.12Å; L494-A525 HydrophobicContact CD2-CB 3.92Å; L494-K540 HydrophobicContact CD1-CB 4.34Å; L494-K540 HydrophobicContact CD1-CG 4.31Å; L494-A541 HydrophobicContact CD1-CB 3.89Å; L494-A541 HydrophobicContact CD2-CB 3.83Å; L494-V544 HydrophobicContact CB-CG2 4.37Å; L494-V544 WeakPolarHBondContact O-CG1 3.31Å
495N88.6Confident82.2Confident78 Ų7856.8 Ų56.842%0.41731%0.314SS..Hα-helixtrans-62.5-42177.3-70.5-28.2000111.1A491 E492 G498 V499A491-N495 VanDerWaalsContact O-CG 3.28Å; A491-N495 PolarHBondContact O-N 3.49Å; A491-N495 PolarHBondContact O-ND2 3.06Å; E492-N495 PolarHBondContact O-N 3.12Å; N495-G498 PolarHBondContact O-N 3.14Å; N495-V499 WeakPolarHBondContact O-CG2 3.37Å; N495-V499 PolarHBondContact O-N 3.26Å
496A87.8Confident80.6Confident30 Ų3056.8 Ų56.825%0.24832%0.321CS..Hα-helixtrans-60.2-45.2174.100000111.5Q474 E492 A493 L494 G498 V499 L500Q474-A496 HydrophobicContact CG-CB 3.96Å; E492-A496 PolarHBondContact O-N 3.23Å; A493-A496 PolarHBondContact O-N 3.18Å; L494-A496 VanDerWaalsContact C-N 3.32Å; L494-A496 PolarHBondContact O-N 3.4Å; A496-G498 VanDerWaalsContact C-N 3.3Å; A496-G498 PolarHBondContact O-N 2.97Å; A496-V499 PolarHBondContact O-N 3.48Å; A496-L500 WeakPolarHBondContact O-CB 3.15Å; A496-L500 VanDerWaalsContact O-CG 3.27Å; A496-L500 WeakPolarHBondContact O-CG 3.47Å; A496-L500 PolarHBondContact O-N 3.27Å
497M87.8Confident78.5Confident0 Ų059 Ų590%034%0.341CS..Hα-helixtrans-58-40.4174.3-71.2175.263.300112.5I471 Q474 F475 A493 L494 L500 S501 L521 L522I471-M497 HydrophobicContact CG1-CB 4.19Å; I471-M497 HydrophobicContact CG1-CE 4.26Å; I471-M497 HydrophobicContact CG1-CG 4.06Å; Q474-M497 HydrophobicContact CB-CG 3.57Å; F475-M497 HydrophobicContact CB-CE 4.03Å; F475-M497 HydrophobicContact CB-SD 4Å; F475-M497 HydrophobicContact CD2-CE 3.78Å; F475-M497 HydrophobicContact CD2-SD 4.14Å; F475-M497 HydrophobicContact CG-CE 4.34Å; A493-M497 VanDerWaalsContact O-CG 3.3Å; A493-M497 WeakPolarHBondContact O-CG 3.48Å; A493-M497 PolarHBondContact O-N 3.02Å; L494-M497 HydrophobicContact CD2-SD 4.48Å; L494-M497 WeakPolarHBondContact O-CB 3.24Å; L494-M497 PolarHBondContact O-N 3.09Å; M497-L500 PolarHBondContact O-N 2.79Å; M497-S501 WeakPolarHBondContact O-CB 3.34Å; M497-S501 PolarHBondContact O-N 3.42Å; M497-L521 HydrophobicContact CE-CB 3.89Å; M497-L522 HydrophobicContact CB-CD2 4.16Å; M497-L522 HydrophobicContact CE-CD2 3.92Å; M497-L522 HydrophobicContact CE-CG 4.28Å
498G84Confident76.5Confident1 Ų162.6 Ų62.61%0.0135%0.352CS..Hα-helixtrans-67.9-33.7177.500000114.1L494 N495 A496 S501 N548L494-G498 PolarHBondContact O-N 2.86Å; N495-G498 PolarHBondContact O-N 3.14Å; A496-G498 VanDerWaalsContact C-N 3.3Å; A496-G498 PolarHBondContact O-N 2.97Å; G498-S501 PolarHBondContact O-OG 3.34Å; G498-N548 PolarHBondContact O-OD1 2.69Å
499V84.8Confident74.4Confident96 Ų9658.8 Ų58.858%0.58234%0.335SS*.Hα-helixtrans-70-47.3172.4174.50000110.1N495 A496 S501 K502N495-V499 WeakPolarHBondContact O-CG2 3.37Å; N495-V499 PolarHBondContact O-N 3.26Å; A496-V499 PolarHBondContact O-N 3.48Å; V499-S501 VanDerWaalsContact C-N 3.26Å; V499-S501 PolarHBondContact O-N 3.33Å; V499-K502 PolarHBondContact O-N 3.44Å
500L83Confident72.2Confident25 Ų2562 Ų6213%0.13135%0.345CS..Hα-helixtrans-64.3-29.2-179.2-68.5175000112.7E469 Q474 A496 M497 K502 S503E469-L500 WeakPolarHBondContact O-CD1 3.49Å; E469-L500 VanDerWaalsContact O-CD2 3.3Å; E469-L500 WeakPolarHBondContact O-CD2 3.4Å; E469-L500 WeakPolarHBondContact OE2-CD2 3.4Å; Q474-L500 HydrophobicContact CG-CD1 3.82Å; A496-L500 WeakPolarHBondContact O-CB 3.15Å; A496-L500 VanDerWaalsContact O-CG 3.27Å; A496-L500 WeakPolarHBondContact O-CG 3.47Å; A496-L500 PolarHBondContact O-N 3.27Å; M497-L500 PolarHBondContact O-N 2.79Å; L500-K502 PolarHBondContact O-N 3.23Å; L500-S503 PolarHBondContact O-N 2.8Å
501S76.8Confident70Confident29 Ų2970.1 Ų70.120%0.20339%0.387CS..THydrogen-bonded Turntrans-66.4-15.5175.473.20000113.7M497 G498 V499M497-S501 WeakPolarHBondContact O-CB 3.34Å; M497-S501 PolarHBondContact O-N 3.42Å; G498-S501 PolarHBondContact O-OG 3.34Å; V499-S501 VanDerWaalsContact C-N 3.26Å; V499-S501 PolarHBondContact O-N 3.33Å
502K71.1Confident68Low123 Ų12373.9 Ų73.954%0.53540%0.403SS..THydrogen-bonded Turntrans-96.3-14.7177-69.4173.6169.1163.80113.2V499 L500 N548V499-K502 PolarHBondContact O-N 3.44Å; L500-K502 PolarHBondContact O-N 3.23Å; K502-N548 WeakPolarHBondContact CE-OD1 3.4Å; K502-N548 PolarHBondContact NZ-OD1 3.44Å
503S65.2Low66.1Low57 Ų5770.4 Ų70.440%0.39939%0.388SS..SBendtrans-76.9139.8-176.1-67.90000111.7L500 V505L500-S503 PolarHBondContact O-N 2.8Å; S503-V505 PolarHBondContact O-N 3Å; S503-V505 VanDerWaalsContact O-N 3.08Å
504P54.7Low64.4Low126 Ų12673.3 Ų73.382%0.81841%0.408SS*.  trans-67.3110.6173.426.6-30.9000109.4
505V54.6Low62.9Low45 Ų4579.1 Ų79.127%0.27344%0.435SS..  trans-58.9135-176.8-175.20000111.1S503 D509 L513S503-V505 PolarHBondContact O-N 3Å; S503-V505 VanDerWaalsContact O-N 3.08Å; V505-D509 HydrophobicContact CG1-CB 3.39Å; V505-L513 HydrophobicContact CG1-CB 4.23Å; V505-L513 HydrophobicContact CG1-CD1 3.78Å; V505-L513 HydrophobicContact CG2-CB 4.03Å; V505-L513 HydrophobicContact CG2-CD1 4Å
506S48.5Very low61.7Low83 Ų8377.9 Ų77.958%0.5843%0.433SS*.  trans-60.3156.8171.864.30000111E508 D509S506-E508 VanDerWaalsContact C-N 3.26Å; S506-E508 PolarHBondContact O-N 3.44Å; S506-D509 PolarHBondContact O-N 3.46Å
507S44.5Very low60.8Low102 Ų10277.4 Ų77.471%0.71343%0.429SS*.THydrogen-bonded Turntrans-61.1-20.6-162.449.50000116.7
508E46.8Very low60.3Low156 Ų15677.9 Ų77.973%0.72943%0.433SS*.THydrogen-bonded Turntrans-87.9-31.3-176.5-72.5-176160.200113.7S506 R510S506-E508 VanDerWaalsContact C-N 3.26Å; S506-E508 PolarHBondContact O-N 3.44Å; E508-R510 VanDerWaalsContact C-N 3.34Å
509D44.4Very low60.1Low42 Ų4278.2 Ų78.223%0.22544%0.435CS..G310 helixtrans-84.8-6.5179-83.2-22.4000113.2V505 S506 L511 L512 L513V505-D509 HydrophobicContact CG1-CB 3.39Å; S506-D509 PolarHBondContact O-N 3.46Å; D509-L511 PolarHBondContact O-N 3.01Å; D509-L511 VanDerWaalsContact O-N 3.14Å; D509-L512 PolarHBondContact O-N 3.18Å; D509-L513 HydrophobicContact CB-CD1 3.77Å; D509-L513 HydrophobicContact CB-CG 4.24Å; D509-L513 WeakPolarHBondContact O-CB 3.46Å; D509-L513 PolarHBondContact O-N 3.16Å
510R43.5Very low60Low182 Ų18276.9 Ų76.969%0.68743%0.429SS*.G310 helixtrans-57.2-27.4178.7-87.3-172-167.9-173.53.4114.8E508 L512E508-R510 VanDerWaalsContact C-N 3.34Å; R510-L512 VanDerWaalsContact C-N 3.34Å
511L44.8Very low60.1Low170 Ų17076.6 Ų76.689%0.8943%0.428SS*.G310 helixtrans-77.5-19.4179.8-79.9162.1000112.9D509D509-L511 PolarHBondContact O-N 3.01Å; D509-L511 VanDerWaalsContact O-N 3.14Å
512L46.8Very low60.7Low103 Ų10375.3 Ų75.354%0.53942%0.419SS..THydrogen-bonded Turntrans-113.8-24.3-179.2-70.7168.8000113.3D509 R510 A517D509-L512 PolarHBondContact O-N 3.18Å; R510-L512 VanDerWaalsContact C-N 3.34Å; L512-A517 VanDerWaalsContact O-CB 3.28Å; L512-A517 WeakPolarHBondContact O-CB 3.22Å
513L50.2Low61.4Low28 Ų2871.2 Ų71.215%0.14741%0.405CS..  trans-103.570.5179.3-65179.5000110.6I471 F472 V505 D509 A517I471-L513 HydrophobicContact CG2-CD1 4.11Å; I471-L513 HydrophobicContact CG2-CD2 3.65Å; F472-L513 HydrophobicContact CE1-CD2 4.47Å; F472-L513 HydrophobicContact CE2-CD1 4.3Å; F472-L513 HydrophobicContact CE2-CD2 3.6Å; F472-L513 HydrophobicContact CE2-CG 3.99Å; F472-L513 HydrophobicContact CZ-CD2 3.52Å; F472-L513 HydrophobicContact CZ-CG 4.23Å; V505-L513 HydrophobicContact CG1-CB 4.23Å; V505-L513 HydrophobicContact CG1-CD1 3.78Å; V505-L513 HydrophobicContact CG2-CB 4.03Å; V505-L513 HydrophobicContact CG2-CD1 4Å; D509-L513 HydrophobicContact CB-CD1 3.77Å; D509-L513 HydrophobicContact CB-CG 4.24Å; D509-L513 WeakPolarHBondContact O-CB 3.46Å; D509-L513 PolarHBondContact O-N 3.16Å; L513-A517 HydrophobicContact CD2-CB 4.37Å
514S54.4Low62.4Low64 Ų6471.8 Ų71.845%0.44840%0.403SS..  trans-62.9151.8150.355.30000108.3S516 A517S514-S516 WeakPolarHBondContact CB-OG 3.48Å; S514-S516 PolarHBondContact O-N 3.24Å; S514-S516 PolarHBondContact OG-OG 3.39Å; S514-A517 WeakPolarHBondContact O-CB 3.34Å; S514-A517 PolarHBondContact O-N 2.99Å; S514-A517 PolarHBondContact OG-N 3.45Å
515E58.4Low64.1Low121 Ų12165.8 Ų65.857%0.56536%0.364SS*.Hα-helixtrans-53-27.6173.4-70.5-176.6157.900111.7A517 S519 K550E515-A517 PolarHBondContact O-N 3.38Å; E515-S519 PolarHBondContact O-N 2.88Å; E515-K550 WeakPolarHBondContact OE1-CE 3.44Å; E515-K550 IonicContact OE1-NZ 3.59Å; E515-K550 PolarHBondContact OE1-NZ 2.96Å
516S62.8Low65.8Low53 Ų5363.9 Ų63.937%0.37135%0.353SS..Hα-helixtrans-65.5-31.1172.866.70000114.2S514 S519 C520S514-S516 WeakPolarHBondContact CB-OG 3.48Å; S514-S516 PolarHBondContact O-N 3.24Å; S514-S516 PolarHBondContact OG-OG 3.39Å; S516-S519 PolarHBondContact O-N 3.45Å; S516-C520 WeakPolarHBondContact O-CB 3.05Å; S516-C520 PolarHBondContact O-N 3.32Å; S516-C520 PolarHBondContact O-SG 2.82Å
517A69.1Low67.7Low20 Ų2064.6 Ų64.617%0.16535%0.347CS..Hα-helixtrans-67.9-38.9179.700000111.9L512 L513 S514 E515 C520 L521L512-A517 VanDerWaalsContact O-CB 3.28Å; L512-A517 WeakPolarHBondContact O-CB 3.22Å; L513-A517 HydrophobicContact CD2-CB 4.37Å; S514-A517 WeakPolarHBondContact O-CB 3.34Å; S514-A517 PolarHBondContact O-N 2.99Å; S514-A517 PolarHBondContact OG-N 3.45Å; E515-A517 PolarHBondContact O-N 3.38Å; A517-C520 PolarHBondContact O-N 2.79Å; A517-L521 WeakPolarHBondContact O-CG 3.47Å; A517-L521 PolarHBondContact O-N 3.06Å
518A77.1Confident69.8Low10 Ų1060.8 Ų60.88%0.08332%0.318CS..Hα-helixtrans-64.8-43.6175.400000111.8I471 C520 L521 L522I471-A518 HydrophobicContact CD1-CB 3.62Å; A518-C520 PolarHBondContact O-N 3.44Å; A518-L521 PolarHBondContact O-N 3.31Å; A518-L522 PolarHBondContact O-N 3.02Å; A518-L522 VanDerWaalsContact O-N 3.12Å
519S80.5Confident71.8Confident8 Ų853.3 Ų53.36%0.05628%0.284CS..Hα-helixtrans-62.1-41.3173.7-64.90000112E515 S516 L521 L522 C523 S549E515-S519 PolarHBondContact O-N 2.88Å; S516-S519 PolarHBondContact O-N 3.45Å; S519-L521 PolarHBondContact O-N 3.09Å; S519-L522 PolarHBondContact O-N 3.5Å; S519-C523 PolarHBondContact O-N 3.25Å; S519-C523 PolarHBondContact O-SG 3.32Å; S519-S549 PolarHBondContact OG-OG 3.49Å
520C83Confident73.8Confident67 Ų6755.1 Ų55.145%0.45329%0.293SS..Hα-helixtrans-61.2-40.5174.2-73.10000112.7S516 A517 A518 C523 L524S516-C520 WeakPolarHBondContact O-CB 3.05Å; S516-C520 PolarHBondContact O-N 3.32Å; S516-C520 PolarHBondContact O-SG 2.82Å; A517-C520 PolarHBondContact O-N 2.79Å; A518-C520 PolarHBondContact O-N 3.44Å; C520-C523 WeakPolarHBondContact O-CB 3.3Å; C520-C523 PolarHBondContact O-N 3.07Å; C520-L524 WeakPolarHBondContact O-CB 3.32Å; C520-L524 PolarHBondContact O-N 3.39Å
521L85.5Confident75.9Confident20 Ų2052.8 Ų52.811%0.10529%0.29CS..Hα-helixtrans-64.3-40.2176.8-72.8173.8000112.1I471 F472 F475 M497 A517 A518 S519 L524 A525I471-L521 HydrophobicContact CD1-CD1 4.19Å; I471-L521 HydrophobicContact CG1-CD1 4.11Å; I471-L521 HydrophobicContact CG2-CD1 4.02Å; F472-L521 HydrophobicContact CD1-CD1 3.83Å; F472-L521 HydrophobicContact CD1-CD2 4.37Å; F472-L521 HydrophobicContact CE1-CD1 3.84Å; F472-L521 HydrophobicContact CE1-CD2 4.48Å; F475-L521 HydrophobicContact CD1-CD2 4.04Å; F475-L521 HydrophobicContact CD2-CD2 4.41Å; F475-L521 HydrophobicContact CE1-CD2 4.18Å; F475-L521 HydrophobicContact CG-CD2 4.15Å; F475-L521 HydrophobicContact CZ-CD2 4.45Å; M497-L521 HydrophobicContact CE-CB 3.89Å; A517-L521 WeakPolarHBondContact O-CG 3.47Å; A517-L521 PolarHBondContact O-N 3.06Å; A518-L521 PolarHBondContact O-N 3.31Å; S519-L521 PolarHBondContact O-N 3.09Å; L521-L524 PolarHBondContact O-N 3.27Å; L521-A525 WeakPolarHBondContact O-CB 3.4Å; L521-A525 PolarHBondContact O-N 3.49Å
522L87.8Confident77.8Confident2 Ų248.2 Ų48.21%0.0127%0.266CS..Hα-helixtrans-68.5-37.8175.7-70.6168.8000112.1L494 M497 A518 S519 A525 A526 V544 L545L494-L522 HydrophobicContact CD2-CD2 4.12Å; M497-L522 HydrophobicContact CB-CD2 4.16Å; M497-L522 HydrophobicContact CE-CD2 3.92Å; M497-L522 HydrophobicContact CE-CG 4.28Å; A518-L522 PolarHBondContact O-N 3.02Å; A518-L522 VanDerWaalsContact O-N 3.12Å; S519-L522 PolarHBondContact O-N 3.5Å; L522-A525 WeakPolarHBondContact O-CB 3.35Å; L522-A525 PolarHBondContact O-N 2.94Å; L522-A526 PolarHBondContact O-N 3.39Å; L522-V544 HydrophobicContact CD1-CG1 4.18Å; L522-V544 HydrophobicContact CD2-CB 4.49Å; L522-V544 HydrophobicContact CD2-CG1 3.88Å; L522-L545 HydrophobicContact CB-CB 4.1Å; L522-L545 HydrophobicContact CB-CD1 4.03Å; L522-L545 HydrophobicContact CD1-CB 4.34Å; L522-L545 HydrophobicContact CD1-CD1 4.3Å
523C86.3Confident79.5Confident37 Ų3746.4 Ų46.425%0.2527%0.272CS..Hα-helixtrans-60.1-45.3170.4-71.20000111.6S519 C520 A525 A526 Q527 L545S519-C523 PolarHBondContact O-N 3.25Å; S519-C523 PolarHBondContact O-SG 3.32Å; C520-C523 WeakPolarHBondContact O-CB 3.3Å; C520-C523 PolarHBondContact O-N 3.07Å; C523-A525 VanDerWaalsContact C-N 3.32Å; C523-A525 PolarHBondContact O-N 2.91Å; C523-A526 WeakPolarHBondContact O-CB 3.33Å; C523-A526 PolarHBondContact O-N 2.93Å; C523-Q527 PolarHBondContact O-N 3.5Å; C523-L545 VanDerWaalsContact SG-CD2 3.59Å
524L87.1Confident81.1Confident69 Ų6949.3 Ų49.336%0.36128%0.281SS..Hα-helixtrans-65.9-37177.7-175.162000111.4F475 C520 L521 Q527 I528F475-L524 HydrophobicContact CE1-CD2 4.12Å; F475-L524 HydrophobicContact CE2-CB 4.49Å; F475-L524 HydrophobicContact CE2-CG 4.48Å; F475-L524 HydrophobicContact CZ-CB 4.3Å; F475-L524 HydrophobicContact CZ-CD2 3.58Å; F475-L524 HydrophobicContact CZ-CG 3.87Å; C520-L524 WeakPolarHBondContact O-CB 3.32Å; C520-L524 PolarHBondContact O-N 3.39Å; L521-L524 PolarHBondContact O-N 3.27Å; L524-Q527 PolarHBondContact O-N 3.01Å; L524-I528 HydrophobicContact CD1-CD1 4.47Å; L524-I528 HydrophobicContact CD1-CG1 4.44Å; L524-I528 HydrophobicContact CG-CD1 4.02Å; L524-I528 HydrophobicContact CG-CG1 4.43Å; L524-I528 VanDerWaalsContact O-CG1 3.27Å; L524-I528 WeakPolarHBondContact O-CG1 3.37Å; L524-I528 PolarHBondContact O-N 3.2Å
525A89.9Confident82.6Confident0 Ų048.7 Ų48.70%027%0.271CS..Hα-helixtrans-58.2-49.6173.300000110.7F475 Y478 L494 L521 L522 C523 Q527 I528 A529 A541F475-A525 HydrophobicContact CD2-CB 4.47Å; F475-A525 HydrophobicContact CE2-CB 4.06Å; Y478-A525 HydrophobicContact CD1-CB 3.95Å; Y478-A525 HydrophobicContact CE1-CB 3.47Å; Y478-A525 VanDerWaalsContact CE1-CB 3.47Å; Y478-A525 PolarHBondContact OH-O 2.86Å; L494-A525 HydrophobicContact CD2-CB 3.92Å; L521-A525 WeakPolarHBondContact O-CB 3.4Å; L521-A525 PolarHBondContact O-N 3.49Å; L522-A525 WeakPolarHBondContact O-CB 3.35Å; L522-A525 PolarHBondContact O-N 2.94Å; C523-A525 VanDerWaalsContact C-N 3.32Å; C523-A525 PolarHBondContact O-N 2.91Å; A525-Q527 VanDerWaalsContact C-N 3.32Å; A525-Q527 PolarHBondContact O-N 2.91Å; A525-I528 PolarHBondContact O-N 2.9Å; A525-A529 PolarHBondContact O-N 3.22Å; A525-A541 HydrophobicContact CB-CB 4.22Å
526A90.2Very high83.9Confident4 Ų448.1 Ų48.13%0.03327%0.269CS..Hα-helixtrans-57.5-44175.500000112.3L522 C523 A529 L530 A538 A541 L542L522-A526 PolarHBondContact O-N 3.39Å; C523-A526 WeakPolarHBondContact O-CB 3.33Å; C523-A526 PolarHBondContact O-N 2.93Å; A526-A529 PolarHBondContact O-N 3.44Å; A526-L530 WeakPolarHBondContact O-CG 3.43Å; A526-L530 PolarHBondContact O-N 3.47Å; A526-L530 VanDerWaalsContact O-N 3.07Å; A526-A538 WeakPolarHBondContact O-CB 3.36Å; A526-A541 HydrophobicContact CB-CB 3.91Å; A526-L542 HydrophobicContact CB-CD1 4.48Å; A526-L542 HydrophobicContact CB-CD2 3.75Å; A526-L542 HydrophobicContact CB-CG 3.73Å
527Q88.5Confident85Confident99 Ų9946.2 Ų46.246%0.46326%0.255SS..Hα-helixtrans-60.5-47.8176.4-179.3180-11.700112.2C523 L524 A525 A529 L530 E531C523-Q527 PolarHBondContact O-N 3.5Å; L524-Q527 PolarHBondContact O-N 3.01Å; A525-Q527 VanDerWaalsContact C-N 3.32Å; A525-Q527 PolarHBondContact O-N 2.91Å; Q527-A529 VanDerWaalsContact C-N 3.31Å; Q527-A529 PolarHBondContact O-N 3.19Å; Q527-L530 PolarHBondContact O-N 3.14Å; Q527-L530 VanDerWaalsContact O-N 3.1Å; Q527-E531 HydrophobicContact CG-CG 4.41Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.41Å; Q527-E531 PolarHBondContact NE2-OE1 3Å; Q527-E531 WeakPolarHBondContact O-CG 3.46Å; Q527-E531 PolarHBondContact O-N 2.84Å
528I87.6Confident86Confident21 Ų2145.3 Ų45.311%0.10825%0.247CC..Hα-helixtrans-59.3-43.5179.1-70.3170.1000110.4F475 K479 V482 L524 A525 L530 E531 N532F475-I528 HydrophobicContact CE2-CD1 4.38Å; F475-I528 HydrophobicContact CZ-CD1 3.8Å; K479-I528 HydrophobicContact CD-CD1 4.03Å; K479-I528 HydrophobicContact CG-CD1 3.92Å; V482-I528 HydrophobicContact CG1-CG2 4.29Å; L524-I528 HydrophobicContact CD1-CD1 4.47Å; L524-I528 HydrophobicContact CD1-CG1 4.44Å; L524-I528 HydrophobicContact CG-CD1 4.02Å; L524-I528 HydrophobicContact CG-CG1 4.43Å; L524-I528 VanDerWaalsContact O-CG1 3.27Å; L524-I528 WeakPolarHBondContact O-CG1 3.37Å; L524-I528 PolarHBondContact O-N 3.2Å; A525-I528 PolarHBondContact O-N 2.9Å; I528-L530 VanDerWaalsContact C-N 3.34Å; I528-L530 PolarHBondContact O-N 3.21Å; I528-E531 PolarHBondContact O-N 3.36Å; I528-N532 PolarHBondContact O-N 3.08Å; I528-N532 VanDerWaalsContact O-N 3.09Å; I528-N532 PolarHBondContact O-ND2 2.89Å
529A89.6Confident86.6Confident0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-61.8-40.4175.800000112.5Y478 A525 A526 Q527 N532 G533 R534 T537 A538Y478-A529 VanDerWaalsContact OH-CB 3.31Å; Y478-A529 WeakPolarHBondContact OH-CB 3.5Å; A525-A529 PolarHBondContact O-N 3.22Å; A526-A529 PolarHBondContact O-N 3.44Å; Q527-A529 VanDerWaalsContact C-N 3.31Å; Q527-A529 PolarHBondContact O-N 3.19Å; A529-N532 CarbonylContact O-C 3.58Å; A529-N532 PolarHBondContact O-N 2.97Å; A529-G533 PolarHBondContact O-N 3Å; A529-R534 HydrophobicContact CB-CB 4.35Å; A529-R534 WeakPolarHBondContact O-CA 3.46Å; A529-R534 PolarHBondContact O-N 3.35Å; A529-T537 HydrophobicContact CB-CG2 4.2Å; A529-A538 HydrophobicContact CB-CB 3.74Å
530L87.3Confident87Confident80 Ų8047.7 Ų47.742%0.41926%0.255SS..Hα-helixtrans-65.4-44.1176.4-67.9173.1000112.4A526 Q527 I528 N532 G533 A538 L565A526-L530 WeakPolarHBondContact O-CG 3.43Å; A526-L530 PolarHBondContact O-N 3.47Å; A526-L530 VanDerWaalsContact O-N 3.07Å; Q527-L530 PolarHBondContact O-N 3.14Å; Q527-L530 VanDerWaalsContact O-N 3.1Å; I528-L530 VanDerWaalsContact C-N 3.34Å; I528-L530 PolarHBondContact O-N 3.21Å; L530-N532 PolarHBondContact O-N 3.44Å; L530-G533 PolarHBondContact O-N 3.37Å; L530-A538 HydrophobicContact CD1-CB 4.46Å; L530-A538 HydrophobicContact CD2-CB 3.56Å; L530-A538 HydrophobicContact CG-CB 3.58Å; L530-L565 HydrophobicContact CD1-CD2 4.49Å; L530-L565 HydrophobicContact CD2-CD1 4.31Å; L530-L565 HydrophobicContact CD2-CD2 3.64Å
531E86.8Confident87.3Confident133 Ų13344.5 Ų44.562%0.62123%0.233SC*.Hα-helixtrans-60.4-29.6176-72.4173.4-176.700112.2Q527 I528 G533Q527-E531 HydrophobicContact CG-CG 4.41Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.41Å; Q527-E531 PolarHBondContact NE2-OE1 3Å; Q527-E531 WeakPolarHBondContact O-CG 3.46Å; Q527-E531 PolarHBondContact O-N 2.84Å; I528-E531 PolarHBondContact O-N 3.36Å; E531-G533 VanDerWaalsContact C-N 3.35Å
532N84.3Confident87.6Confident73 Ų7344 Ų4439%0.3923%0.231SC..THydrogen-bonded Turntrans-90.89.1175.4-72.6-89.2000113.5V482 I528 A529 L530 R534V482-N532 HydrophobicContact CG1-CB 3.84Å; I528-N532 PolarHBondContact O-N 3.08Å; I528-N532 VanDerWaalsContact O-N 3.09Å; I528-N532 PolarHBondContact O-ND2 2.89Å; A529-N532 CarbonylContact O-C 3.58Å; A529-N532 PolarHBondContact O-N 2.97Å; L530-N532 PolarHBondContact O-N 3.44Å; N532-R534 VanDerWaalsContact C-N 3.27Å; N532-R534 HydrophobicContact CB-CG 4.35Å; N532-R534 PolarHBondContact O-N 3.41Å
533G82.2Confident87.8Confident65 Ų6546 Ų4667%0.6724%0.24SC*.THydrogen-bonded Turntrans69.817.1178.700000114.9A529 L530 E531 Q535A529-G533 PolarHBondContact O-N 3Å; L530-G533 PolarHBondContact O-N 3.37Å; E531-G533 VanDerWaalsContact C-N 3.35Å; G533-Q535 PolarHBondContact O-N 3.35Å
534R85.3Confident87.9Confident90 Ų9044.3 Ų44.334%0.3423%0.228SC..  trans-99.871.9-176.7-55.8-56.6176.7161.92.6111.5D485 A529 N532 E536 T537 A538D485-R534 IonicContact OD1-CZ 3.31Å; D485-R534 IonicContact OD1-NE 2.78Å; D485-R534 IonicContact OD1-NH1 3.86Å; D485-R534 PolarHBondContact OD1-NH1 3.21Å; D485-R534 IonicContact OD1-NH2 2.95Å; D485-R534 PolarHBondContact OD1-NH2 3.42Å; D485-R534 IonicContact OD2-CZ 3.68Å; D485-R534 IonicContact OD2-NH1 3.69Å; D485-R534 PolarHBondContact OD2-NH1 3.31Å; D485-R534 IonicContact OD2-NH2 3.93Å; D485-R534 PolarHBondContact OD2-NH2 2.71Å; A529-R534 HydrophobicContact CB-CB 4.35Å; A529-R534 WeakPolarHBondContact O-CA 3.46Å; A529-R534 PolarHBondContact O-N 3.35Å; N532-R534 VanDerWaalsContact C-N 3.27Å; N532-R534 HydrophobicContact CB-CG 4.35Å; N532-R534 PolarHBondContact O-N 3.41Å; R534-E536 PolarHBondContact O-N 3.36Å; R534-T537 PolarHBondContact O-N 3.02Å; R534-A538 PolarHBondContact O-N 2.9Å
535Q85.2Confident88Confident50 Ų5041.1 Ų41.123%0.23421%0.212CC..Hα-helixtrans-58.6-45.2-174.2-177.2170.3-26.400114G533 T537 A538 M539 L565 S568G533-Q535 PolarHBondContact O-N 3.35Å; Q535-T537 VanDerWaalsContact C-N 3.33Å; Q535-T537 PolarHBondContact O-N 3.32Å; Q535-A538 WeakPolarHBondContact O-CB 3.39Å; Q535-A538 PolarHBondContact O-N 3.4Å; Q535-A538 VanDerWaalsContact O-N 3.16Å; Q535-M539 HydrophobicContact CG-SD 4.5Å; Q535-M539 WeakPolarHBondContact O-CG 3.26Å; Q535-M539 PolarHBondContact O-N 2.84Å; Q535-L565 HydrophobicContact CG-CD2 4.29Å; Q535-L565 PolarHBondContact NE2-O 2.88Å; Q535-S568 PolarHBondContact NE2-OG 3.36Å
536E85.3Confident87.9Confident110 Ų11041.4 Ų41.451%0.51421%0.213SC..Hα-helixtrans-64.2-36.8179.5-69.7-69.5153.300112.1R534 A538 M539 K540 K584R534-E536 PolarHBondContact O-N 3.36Å; E536-A538 VanDerWaalsContact C-N 3.35Å; E536-M539 PolarHBondContact O-N 3.34Å; E536-K540 PolarHBondContact O-N 3.45Å; E536-K584 IonicContact OE1-NZ 2.6Å; E536-K584 PolarHBondContact OE1-NZ 2.76Å; E536-K584 IonicContact OE2-NZ 2.69Å; E536-K584 PolarHBondContact OE2-NZ 3.33Å
537T87.4Confident87.8Confident13 Ų1346.5 Ų46.58%0.0824%0.237CC..Hα-helixtrans-67.5-36.3174.3-49.60000111.7Y478 V482 A490 A529 R534 Q535 K540 A541Y478-T537 HydrophobicContact CE2-CG2 3.91Å; V482-T537 HydrophobicContact CG2-CG2 4.36Å; A490-T537 HydrophobicContact CB-CG2 4.07Å; A529-T537 HydrophobicContact CB-CG2 4.2Å; R534-T537 PolarHBondContact O-N 3.02Å; Q535-T537 VanDerWaalsContact C-N 3.33Å; Q535-T537 PolarHBondContact O-N 3.32Å; T537-K540 PolarHBondContact O-N 3.12Å; T537-A541 PolarHBondContact O-N 3.25Å
538A89.2Confident87.5Confident0 Ų042.9 Ų42.90%022%0.221CC..Hα-helixtrans-66.2-42.5173.900000111.9A526 A529 L530 R534 Q535 E536 K540 A541 L542A526-A538 WeakPolarHBondContact O-CB 3.36Å; A529-A538 HydrophobicContact CB-CB 3.74Å; L530-A538 HydrophobicContact CD1-CB 4.46Å; L530-A538 HydrophobicContact CD2-CB 3.56Å; L530-A538 HydrophobicContact CG-CB 3.58Å; R534-A538 PolarHBondContact O-N 2.9Å; Q535-A538 WeakPolarHBondContact O-CB 3.39Å; Q535-A538 PolarHBondContact O-N 3.4Å; Q535-A538 VanDerWaalsContact O-N 3.16Å; E536-A538 VanDerWaalsContact C-N 3.35Å; A538-K540 VanDerWaalsContact C-N 3.32Å; A538-K540 PolarHBondContact O-N 3.29Å; A538-A541 PolarHBondContact O-N 3.3Å; A538-L542 WeakPolarHBondContact O-CG 3.16Å; A538-L542 PolarHBondContact O-N 3.17Å; A538-L542 VanDerWaalsContact O-N 3.09Å
539M89.1Confident87.3Confident2 Ų242.7 Ų42.71%0.0122%0.221CC..Hα-helixtrans-58.8-45.3173.2-70.5-179.865.100110.7Q535 E536 A541 L542 E543 L562 L565 V566 K584 Y588Q535-M539 HydrophobicContact CG-SD 4.5Å; Q535-M539 WeakPolarHBondContact O-CG 3.26Å; Q535-M539 PolarHBondContact O-N 2.84Å; E536-M539 PolarHBondContact O-N 3.34Å; M539-A541 VanDerWaalsContact C-N 3.34Å; M539-A541 PolarHBondContact O-N 3.4Å; M539-L542 PolarHBondContact O-N 3.22Å; M539-L542 VanDerWaalsContact O-N 3.17Å; M539-E543 WeakPolarHBondContact O-CG 3.35Å; M539-E543 PolarHBondContact O-N 3.3Å; M539-L562 HydrophobicContact CB-CD2 4Å; M539-L562 HydrophobicContact CG-CD2 4.18Å; M539-L565 HydrophobicContact CG-CB 4.08Å; M539-L565 HydrophobicContact CG-CD1 3.85Å; M539-L565 HydrophobicContact SD-CB 4.35Å; M539-V566 HydrophobicContact CE-CG2 3.7Å; M539-K584 HydrophobicContact CE-CD 4.33Å; M539-Y588 HydrophobicContact CE-CE2 4.42Å
540K89.5Confident86.7Confident66 Ų6649.7 Ų49.729%0.28725%0.252SS..Hα-helixtrans-60.3-41.1177.3-16770.8-157.41570113L494 E536 T537 A538 L542 E543 V544L494-K540 HydrophobicContact CD1-CB 4.34Å; L494-K540 HydrophobicContact CD1-CG 4.31Å; E536-K540 PolarHBondContact O-N 3.45Å; T537-K540 PolarHBondContact O-N 3.12Å; A538-K540 VanDerWaalsContact C-N 3.32Å; A538-K540 PolarHBondContact O-N 3.29Å; K540-L542 VanDerWaalsContact C-N 3.34Å; K540-L542 PolarHBondContact O-N 3.45Å; K540-E543 IonicContact NZ-OE2 3.34Å; K540-E543 PolarHBondContact NZ-OE2 3.16Å; K540-E543 VanDerWaalsContact NZ-OE2 3.1Å; K540-E543 PolarHBondContact O-N 2.93Å; K540-V544 WeakPolarHBondContact O-CG2 3.33Å; K540-V544 PolarHBondContact O-N 3.09Å
541A89.8Confident86.4Confident0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-62.6-40.3176.400000112.3L494 A525 A526 T537 A538 M539 L545L494-A541 HydrophobicContact CD1-CB 3.89Å; L494-A541 HydrophobicContact CD2-CB 3.83Å; A525-A541 HydrophobicContact CB-CB 4.22Å; A526-A541 HydrophobicContact CB-CB 3.91Å; T537-A541 PolarHBondContact O-N 3.25Å; A538-A541 PolarHBondContact O-N 3.3Å; M539-A541 VanDerWaalsContact C-N 3.34Å; M539-A541 PolarHBondContact O-N 3.4Å; A541-L545 PolarHBondContact O-N 2.98Å
542L90.9Very high86.1Confident10 Ų1045.3 Ų45.35%0.05223%0.231CC..Hα-helixtrans-70.1-35.9176-66.9171.8000112.6A526 A538 M539 K540 L545 C546 C561 L562 L565A526-L542 HydrophobicContact CB-CD1 4.48Å; A526-L542 HydrophobicContact CB-CD2 3.75Å; A526-L542 HydrophobicContact CB-CG 3.73Å; A538-L542 WeakPolarHBondContact O-CG 3.16Å; A538-L542 PolarHBondContact O-N 3.17Å; A538-L542 VanDerWaalsContact O-N 3.09Å; M539-L542 PolarHBondContact O-N 3.22Å; M539-L542 VanDerWaalsContact O-N 3.17Å; K540-L542 VanDerWaalsContact C-N 3.34Å; K540-L542 PolarHBondContact O-N 3.45Å; L542-L545 HydrophobicContact CD2-CD2 4.31Å; L542-L545 WeakPolarHBondContact O-CB 3.4Å; L542-L545 PolarHBondContact O-N 3.26Å; L542-C546 PolarHBondContact O-N 2.91Å; L542-C546 PolarHBondContact O-SG 3.07Å; L542-C561 HydrophobicContact CD1-CB 3.67Å; L542-C561 HydrophobicContact CD2-CB 4.42Å; L542-L562 HydrophobicContact CB-CD1 4.04Å; L542-L562 HydrophobicContact CB-CD2 3.73Å; L542-L562 HydrophobicContact CB-CG 3.67Å; L542-L562 HydrophobicContact CD1-CD2 4.15Å; L542-L562 HydrophobicContact CD1-CG 4.06Å; L542-L565 HydrophobicContact CD1-CD1 3.78Å
543E91.3Very high86.1Confident45 Ų4543.1 Ų43.121%0.2122%0.223CC..Hα-helixtrans-60.5-48.9172.8-73.2175.8172.900111.1M539 K540 L545 C546 E547 L562 Y588M539-E543 WeakPolarHBondContact O-CG 3.35Å; M539-E543 PolarHBondContact O-N 3.3Å; K540-E543 IonicContact NZ-OE2 3.34Å; K540-E543 PolarHBondContact NZ-OE2 3.16Å; K540-E543 VanDerWaalsContact NZ-OE2 3.1Å; K540-E543 PolarHBondContact O-N 2.93Å; E543-L545 VanDerWaalsContact C-N 3.27Å; E543-L545 PolarHBondContact O-N 3.31Å; E543-C546 PolarHBondContact O-N 3.16Å; E543-C546 VanDerWaalsContact O-N 3.09Å; E543-E547 WeakPolarHBondContact O-CG 3.37Å; E543-E547 PolarHBondContact O-N 3.17Å; E543-L562 HydrophobicContact CG-CD1 4.35Å; E543-L562 HydrophobicContact CG-CD2 4.3Å; E543-Y588 HydrophobicContact CG-CE1 4.21Å; E543-Y588 PolarHBondContact OE1-OH 3.02Å
544V89.1Confident86.1Confident1 Ų141.8 Ų41.81%0.00620%0.199CC..Hα-helixtrans-59.6-39.3176.5173.30000110.8L494 L522 K540 E547 N548L494-V544 HydrophobicContact CB-CG2 4.37Å; L494-V544 WeakPolarHBondContact O-CG1 3.31Å; L522-V544 HydrophobicContact CD1-CG1 4.18Å; L522-V544 HydrophobicContact CD2-CB 4.49Å; L522-V544 HydrophobicContact CD2-CG1 3.88Å; K540-V544 WeakPolarHBondContact O-CG2 3.33Å; K540-V544 PolarHBondContact O-N 3.09Å; V544-E547 PolarHBondContact O-N 2.93Å; V544-N548 WeakPolarHBondContact CG1-ND2 3.29Å; V544-N548 WeakPolarHBondContact O-CB 3.42Å; V544-N548 PolarHBondContact O-N 3.25Å; V544-N548 VanDerWaalsContact O-N 3.12Å; V544-N548 PolarHBondContact O-ND2 2.87Å
545L89.3Confident86.2Confident1 Ų137.8 Ų37.81%0.00519%0.185CC..Hα-helixtrans-59.4-49.9172.617671.4000111.8L522 C523 A541 L542 E543 E547 N548 S549L522-L545 HydrophobicContact CB-CB 4.1Å; L522-L545 HydrophobicContact CB-CD1 4.03Å; L522-L545 HydrophobicContact CD1-CB 4.34Å; L522-L545 HydrophobicContact CD1-CD1 4.3Å; C523-L545 VanDerWaalsContact SG-CD2 3.59Å; A541-L545 PolarHBondContact O-N 2.98Å; L542-L545 HydrophobicContact CD2-CD2 4.31Å; L542-L545 WeakPolarHBondContact O-CB 3.4Å; L542-L545 PolarHBondContact O-N 3.26Å; E543-L545 VanDerWaalsContact C-N 3.27Å; E543-L545 PolarHBondContact O-N 3.31Å; L545-E547 VanDerWaalsContact C-N 3.29Å; L545-E547 PolarHBondContact O-N 3.4Å; L545-N548 PolarHBondContact O-N 3.26Å; L545-S549 WeakPolarHBondContact O-CB 3.42Å; L545-S549 PolarHBondContact O-N 3.25Å
546C88.4Confident86.4Confident6 Ų635.5 Ų35.54%0.04117%0.174CC..Hα-helixtrans-67.2-26.4-177.8-68.50000113.7L542 E543 V555 L559 R591L542-C546 PolarHBondContact O-N 2.91Å; L542-C546 PolarHBondContact O-SG 3.07Å; E543-C546 PolarHBondContact O-N 3.16Å; E543-C546 VanDerWaalsContact O-N 3.09Å; C546-V555 HydrophobicContact CB-CG1 4.31Å; C546-L559 HydrophobicContact CB-CD2 4.43Å; C546-R591 PolarHBondContact O-NH2 3.39Å
547E87.2Confident86.6Confident112 Ų11234.6 Ų34.652%0.52317%0.171SC..Hα-helixtrans-82.6-30.8177.8-73.5174.2-175.600113.5E543 V544 L545E543-E547 WeakPolarHBondContact O-CG 3.37Å; E543-E547 PolarHBondContact O-N 3.17Å; V544-E547 PolarHBondContact O-N 2.93Å; L545-E547 VanDerWaalsContact C-N 3.29Å; L545-E547 PolarHBondContact O-N 3.4Å
548N83.7Confident86.7Confident23 Ų2334.1 Ų34.112%0.12317%0.168CC..Hα-helixtrans-113.3-21.3-168.5-60.1-68.9000114.7G498 K502 V544 L545G498-N548 PolarHBondContact O-OD1 2.69Å; K502-N548 WeakPolarHBondContact CE-OD1 3.4Å; K502-N548 PolarHBondContact NZ-OD1 3.44Å; V544-N548 WeakPolarHBondContact CG1-ND2 3.29Å; V544-N548 WeakPolarHBondContact O-CB 3.42Å; V544-N548 PolarHBondContact O-N 3.25Å; V544-N548 VanDerWaalsContact O-N 3.12Å; V544-N548 PolarHBondContact O-ND2 2.87Å; L545-N548 PolarHBondContact O-N 3.26Å
549S81.8Confident86.8Confident17 Ų1734.2 Ų34.212%0.11917%0.169CC..  trans-70.9135.2177.5-178.70000111.8S519 L545 D551S519-S549 PolarHBondContact OG-OG 3.49Å; L545-S549 WeakPolarHBondContact O-CB 3.42Å; L545-S549 PolarHBondContact O-N 3.25Å; S549-D551 PolarHBondContact OG-N 2.88Å; S549-D551 VanDerWaalsContact OG-N 3.12Å; S549-D551 PolarHBondContact OG-O 2.86Å
550K77.6Confident86.9Confident147 Ų14737 Ų3764%0.63918%0.179SC*.  trans-85.7-19.5167.4-63.7-177.6-170.4162.80112.7E515 E552E515-K550 WeakPolarHBondContact OE1-CE 3.44Å; E515-K550 IonicContact OE1-NZ 3.59Å; E515-K550 PolarHBondContact OE1-NZ 2.96Å; K550-E552 PolarHBondContact O-N 3.04Å
551D80.2Confident87Confident67 Ų6735.9 Ų35.936%0.35818%0.18SC..  trans-78.8106.9177-174.1-21.2000109.7S549 A553 H554 V555S549-D551 PolarHBondContact OG-N 2.88Å; S549-D551 VanDerWaalsContact OG-N 3.12Å; S549-D551 PolarHBondContact OG-O 2.86Å; D551-A553 PolarHBondContact O-N 3.48Å; D551-A553 VanDerWaalsContact OD1-CB 3.32Å; D551-A553 WeakPolarHBondContact OD1-CB 3.48Å; D551-A553 PolarHBondContact OD1-N 3.29Å; D551-H554 HydrophobicContact CB-CB 4.24Å; D551-H554 PolarHBondContact O-N 3.38Å; D551-H554 PolarHBondContact OD1-N 3.08Å; D551-H554 IonicContact OD1-ND1 3.78Å; D551-H554 IonicContact OD2-CE1 3.28Å; D551-H554 PolarHBondContact OD2-CE1 2.87Å; D551-H554 VanDerWaalsContact OD2-CE1 3.31Å; D551-H554 IonicContact OD2-CG 3.69Å; D551-H554 IonicContact OD2-ND1 3.21Å; D551-H554 PolarHBondContact OD2-ND1 2.95Å; D551-V555 WeakPolarHBondContact O-CG2 3.29Å; D551-V555 PolarHBondContact O-N 3.27Å; D551-V555 VanDerWaalsContact O-N 3.07Å
552E82.1Confident87.1Confident54 Ų5436 Ų3625%0.25218%0.18SC..Hα-helixtrans-61.7-30.2-179.2-62171.3149.500112.4K550 V555 L556 T595 Q599K550-E552 PolarHBondContact O-N 3.04Å; E552-V555 PolarHBondContact O-N 3Å; E552-L556 WeakPolarHBondContact O-CG 3.31Å; E552-L556 PolarHBondContact O-N 3.43Å; E552-T595 HydrophobicContact CB-CG2 3.88Å; E552-T595 HydrophobicContact CG-CG2 4.13Å; E552-Q599 HydrophobicContact CB-CG 4.42Å; E552-Q599 WeakPolarHBondContact OE2-CG 3.41Å
553A82.7Confident87Confident27 Ų2735.5 Ų35.522%0.22318%0.178CC..Hα-helixtrans-69.2-40.417700000111.3D551 V555 L556 M557D551-A553 PolarHBondContact O-N 3.48Å; D551-A553 VanDerWaalsContact OD1-CB 3.32Å; D551-A553 WeakPolarHBondContact OD1-CB 3.48Å; D551-A553 PolarHBondContact OD1-N 3.29Å; A553-V555 VanDerWaalsContact C-N 3.35Å; A553-L556 PolarHBondContact O-N 2.99Å; A553-M557 WeakPolarHBondContact O-CB 3.4Å; A553-M557 PolarHBondContact O-N 3.29Å
554H82.6Confident86.9Confident37 Ų3740.4 Ų40.417%0.17119%0.194CC..Hα-helixtrans-64.9-39.3172.6-7696.1000111.6D551 M557 G558D551-H554 HydrophobicContact CB-CB 4.24Å; D551-H554 PolarHBondContact O-N 3.38Å; D551-H554 PolarHBondContact OD1-N 3.08Å; D551-H554 IonicContact OD1-ND1 3.78Å; D551-H554 IonicContact OD2-CE1 3.28Å; D551-H554 PolarHBondContact OD2-CE1 2.87Å; D551-H554 VanDerWaalsContact OD2-CE1 3.31Å; D551-H554 IonicContact OD2-CG 3.69Å; D551-H554 IonicContact OD2-ND1 3.21Å; D551-H554 PolarHBondContact OD2-ND1 2.95Å; H554-M557 PolarHBondContact O-N 3.07Å; H554-G558 PolarHBondContact O-N 2.71Å
555V88.3Confident86.9Confident5 Ų541.4 Ų41.43%0.0320%0.199CC..Hα-helixtrans-61.9-49.3175.7175.40000111C546 D551 E552 A553 M557 G558 L559 T595C546-V555 HydrophobicContact CB-CG1 4.31Å; D551-V555 WeakPolarHBondContact O-CG2 3.29Å; D551-V555 PolarHBondContact O-N 3.27Å; D551-V555 VanDerWaalsContact O-N 3.07Å; E552-V555 PolarHBondContact O-N 3Å; A553-V555 VanDerWaalsContact C-N 3.35Å; V555-M557 PolarHBondContact O-N 3.14Å; V555-G558 PolarHBondContact O-N 3.19Å; V555-L559 HydrophobicContact CG1-CD1 3.94Å; V555-L559 HydrophobicContact CG1-CG 4.4Å; V555-L559 VanDerWaalsContact O-CG 3.3Å; V555-L559 WeakPolarHBondContact O-CG 3.26Å; V555-L559 PolarHBondContact O-N 3.34Å; V555-T595 HydrophobicContact CB-CG2 4.47Å; V555-T595 HydrophobicContact CG1-CG2 4.25Å
556L89.3Confident86.8Confident2 Ų241.4 Ų41.41%0.0120%0.2CC..Hα-helixtrans-64.8-38.3-179.7-69175000112.6E552 A553 L559 R560 A592 T595 I596 M602 D610 F614E552-L556 WeakPolarHBondContact O-CG 3.31Å; E552-L556 PolarHBondContact O-N 3.43Å; A553-L556 PolarHBondContact O-N 2.99Å; L556-L559 PolarHBondContact O-N 3.38Å; L556-R560 WeakPolarHBondContact O-CG 3.38Å; L556-R560 PolarHBondContact O-N 2.7Å; L556-A592 HydrophobicContact CD2-CB 4.49Å; L556-T595 HydrophobicContact CD2-CG2 4.01Å; L556-T595 HydrophobicContact CG-CG2 4.01Å; L556-I596 HydrophobicContact CD1-CG1 4.13Å; L556-I596 HydrophobicContact CD2-CD1 4.12Å; L556-I596 HydrophobicContact CD2-CG1 3.71Å; L556-M602 HydrophobicContact CD1-SD 4.42Å; L556-D610 HydrophobicContact CD1-CB 4.28Å; L556-D610 WeakPolarHBondContact CD1-OD2 3.3Å; L556-F614 HydrophobicContact CD2-CE2 3.9Å; L556-F614 HydrophobicContact CD2-CZ 4.42Å
557M88.1Confident86.5Confident92 Ų9243.6 Ų43.645%0.45321%0.208SC..Hα-helixtrans-63.3-45.4172.8179.917255.400111.5A553 H554 V555 L559 R560 C561A553-M557 WeakPolarHBondContact O-CB 3.4Å; A553-M557 PolarHBondContact O-N 3.29Å; H554-M557 PolarHBondContact O-N 3.07Å; V555-M557 PolarHBondContact O-N 3.14Å; M557-L559 VanDerWaalsContact C-N 3.34Å; M557-L559 PolarHBondContact O-N 3.18Å; M557-R560 WeakPolarHBondContact O-CB 3.19Å; M557-R560 PolarHBondContact O-N 3.12Å; M557-C561 PolarHBondContact O-N 3.3Å; M557-C561 PolarHBondContact O-SG 2.87Å; M557-C561 VanDerWaalsContact O-SG 3.41Å
558G89.9Confident86.3Confident2 Ų240.1 Ų40.12%0.02120%0.197CC..Hα-helixtrans-58.5-44.6175.400000112.3H554 V555 R560 C561 L562H554-G558 PolarHBondContact O-N 2.71Å; V555-G558 PolarHBondContact O-N 3.19Å; G558-R560 PolarHBondContact O-N 3.43Å; G558-C561 WeakPolarHBondContact O-CB 3.25Å; G558-C561 PolarHBondContact O-N 3.43Å; G558-L562 WeakPolarHBondContact O-CG 3.41Å; G558-L562 PolarHBondContact O-N 3.42Å
559L91.9Very high85.8Confident2 Ų239.9 Ų39.91%0.0120%0.197CC..Hα-helixtrans-63.6-39.6176.3-68.9170.6000112.4C546 V555 L556 M557 C561 L562 V563 Y588 R591 A592 F614C546-L559 HydrophobicContact CB-CD2 4.43Å; V555-L559 HydrophobicContact CG1-CD1 3.94Å; V555-L559 HydrophobicContact CG1-CG 4.4Å; V555-L559 VanDerWaalsContact O-CG 3.3Å; V555-L559 WeakPolarHBondContact O-CG 3.26Å; V555-L559 PolarHBondContact O-N 3.34Å; L556-L559 PolarHBondContact O-N 3.38Å; M557-L559 VanDerWaalsContact C-N 3.34Å; M557-L559 PolarHBondContact O-N 3.18Å; L559-C561 VanDerWaalsContact C-N 3.33Å; L559-C561 PolarHBondContact O-N 3.14Å; L559-L562 HydrophobicContact CD2-CD1 4.29Å; L559-L562 PolarHBondContact O-N 3.5Å; L559-V563 WeakPolarHBondContact O-CB 3.22Å; L559-V563 VanDerWaalsContact O-CG2 3.3Å; L559-V563 WeakPolarHBondContact O-CG2 3.48Å; L559-V563 PolarHBondContact O-N 3.25Å; L559-Y588 HydrophobicContact CD2-CD1 4.39Å; L559-Y588 HydrophobicContact CD2-CG 4.49Å; L559-R591 HydrophobicContact CD1-CB 4.32Å; L559-R591 HydrophobicContact CD1-CG 4.08Å; L559-R591 HydrophobicContact CD2-CB 4.31Å; L559-R591 HydrophobicContact CD2-CG 4.3Å; L559-A592 HydrophobicContact CD1-CB 3.88Å; L559-F614 HydrophobicContact CB-CE1 4.16Å; L559-F614 HydrophobicContact CB-CZ 3.95Å
560R91.9Very high85Confident60 Ų6039.9 Ų39.923%0.22620%0.198CC..Hα-helixtrans-61.1-42.3172.9-78.3-179.1162.8153.80.5112L556 M557 G558 R564 D610 W613 F614L556-R560 WeakPolarHBondContact O-CG 3.38Å; L556-R560 PolarHBondContact O-N 2.7Å; M557-R560 WeakPolarHBondContact O-CB 3.19Å; M557-R560 PolarHBondContact O-N 3.12Å; G558-R560 PolarHBondContact O-N 3.43Å; R560-R564 WeakPolarHBondContact O-CG 3.37Å; R560-R564 PolarHBondContact O-N 2.76Å; R560-R564 VanDerWaalsContact O-N 3.08Å; R560-D610 IonicContact CZ-OD1 3.66Å; R560-D610 IonicContact NH1-OD1 3.82Å; R560-D610 PolarHBondContact NH1-OD1 2.98Å; R560-D610 IonicContact NH2-OD1 2.7Å; R560-D610 PolarHBondContact NH2-OD1 3.36Å; R560-W613 HydrophobicContact CB-CH2 4.1Å; R560-W613 HydrophobicContact CB-CZ3 4.31Å; R560-W613 HydrophobicContact CG-CD2 4.21Å; R560-W613 HydrophobicContact CG-CE3 3.81Å; R560-W613 HydrophobicContact CG-CH2 3.83Å; R560-W613 HydrophobicContact CG-CZ2 4.21Å; R560-W613 HydrophobicContact CG-CZ3 3.63Å; R560-F614 HydrophobicContact CG-CE1 4.39Å; R560-F614 HydrophobicContact CG-CE2 4.41Å; R560-F614 HydrophobicContact CG-CZ 3.84Å
561C90.9Very high84.3Confident44 Ų4440.8 Ų40.830%0.29720%0.204SC..Hα-helixtrans-64.9-45.5176.1-69.10000111.3L542 M557 G558 L559 V563 R564 L565L542-C561 HydrophobicContact CD1-CB 3.67Å; L542-C561 HydrophobicContact CD2-CB 4.42Å; M557-C561 PolarHBondContact O-N 3.3Å; M557-C561 PolarHBondContact O-SG 2.87Å; M557-C561 VanDerWaalsContact O-SG 3.41Å; G558-C561 WeakPolarHBondContact O-CB 3.25Å; G558-C561 PolarHBondContact O-N 3.43Å; L559-C561 VanDerWaalsContact C-N 3.33Å; L559-C561 PolarHBondContact O-N 3.14Å; C561-V563 PolarHBondContact O-N 3.45Å; C561-R564 PolarHBondContact O-N 3.18Å; C561-L565 WeakPolarHBondContact O-CG 3.32Å; C561-L565 PolarHBondContact O-N 3.32Å
562L91.3Very high83.2Confident1 Ų144.2 Ų44.21%0.00522%0.222CC..Hα-helixtrans-56.7-48.4175.3-78.1168000112M539 L542 E543 G558 L559 R564 L565 V566 Y588M539-L562 HydrophobicContact CB-CD2 4Å; M539-L562 HydrophobicContact CG-CD2 4.18Å; L542-L562 HydrophobicContact CB-CD1 4.04Å; L542-L562 HydrophobicContact CB-CD2 3.73Å; L542-L562 HydrophobicContact CB-CG 3.67Å; L542-L562 HydrophobicContact CD1-CD2 4.15Å; L542-L562 HydrophobicContact CD1-CG 4.06Å; E543-L562 HydrophobicContact CG-CD1 4.35Å; E543-L562 HydrophobicContact CG-CD2 4.3Å; G558-L562 WeakPolarHBondContact O-CG 3.41Å; G558-L562 PolarHBondContact O-N 3.42Å; L559-L562 HydrophobicContact CD2-CD1 4.29Å; L559-L562 PolarHBondContact O-N 3.5Å; L562-R564 VanDerWaalsContact C-N 3.32Å; L562-R564 PolarHBondContact O-N 3.1Å; L562-L565 PolarHBondContact O-N 3.01Å; L562-V566 WeakPolarHBondContact O-CG2 3.45Å; L562-V566 PolarHBondContact O-N 3.05Å; L562-Y588 HydrophobicContact CB-CD2 3.92Å; L562-Y588 HydrophobicContact CB-CE2 3.91Å; L562-Y588 HydrophobicContact CB-CG 4.37Å; L562-Y588 HydrophobicContact CD1-CD1 4.12Å; L562-Y588 HydrophobicContact CD1-CE1 3.97Å; L562-Y588 HydrophobicContact CD1-CG 4.49Å; L562-Y588 HydrophobicContact CD2-CE2 4.28Å; L562-Y588 HydrophobicContact CG-CE2 4.48Å
563V90.2Very high81.8Confident1 Ų143 Ų431%0.00622%0.22CC..Hα-helixtrans-57.3-45.7176.4165.80000111.3L559 C561 L565 V566 F567 L585 L589 W613 I617L559-V563 WeakPolarHBondContact O-CB 3.22Å; L559-V563 VanDerWaalsContact O-CG2 3.3Å; L559-V563 WeakPolarHBondContact O-CG2 3.48Å; L559-V563 PolarHBondContact O-N 3.25Å; C561-V563 PolarHBondContact O-N 3.45Å; V563-L565 PolarHBondContact O-N 3.22Å; V563-V566 PolarHBondContact O-N 3.37Å; V563-F567 HydrophobicContact CG1-CD2 3.85Å; V563-F567 HydrophobicContact CG1-CE2 3.57Å; V563-F567 WeakPolarHBondContact O-CD2 3.39Å; V563-F567 PolarHBondContact O-N 3.3Å; V563-F567 VanDerWaalsContact O-N 3.13Å; V563-L585 HydrophobicContact CG1-CD1 4.14Å; V563-L585 HydrophobicContact CG2-CD1 4.45Å; V563-L589 HydrophobicContact CG2-CD2 4.3Å; V563-W613 HydrophobicContact CB-CH2 4Å; V563-W613 HydrophobicContact CB-CZ3 4.39Å; V563-W613 HydrophobicContact CG1-CH2 3.68Å; V563-W613 HydrophobicContact CG1-CZ3 4.2Å; V563-I617 HydrophobicContact CG1-CG1 4.38Å; V563-I617 HydrophobicContact CG1-CG2 3.84Å
564R89.1Confident80.6Confident148 Ų14845.8 Ų45.856%0.55824%0.243SC*.Hα-helixtrans-63.3-40.5177.6-73.3171.4177.1162.2-1.4112.3R560 C561 L562 F567 S568R560-R564 WeakPolarHBondContact O-CG 3.37Å; R560-R564 PolarHBondContact O-N 2.76Å; R560-R564 VanDerWaalsContact O-N 3.08Å; C561-R564 PolarHBondContact O-N 3.18Å; L562-R564 VanDerWaalsContact C-N 3.32Å; L562-R564 PolarHBondContact O-N 3.1Å; R564-F567 PolarHBondContact O-N 3.24Å; R564-S568 PolarHBondContact O-N 2.91Å
565L88Confident79.3Confident21 Ų2149.6 Ų49.611%0.1126%0.264CS..Hα-helixtrans-65.9-39.8177.2-69.1174.6000111.7L530 Q535 M539 L542 C561 L562 V563 F567 S568 S569L530-L565 HydrophobicContact CD1-CD2 4.49Å; L530-L565 HydrophobicContact CD2-CD1 4.31Å; L530-L565 HydrophobicContact CD2-CD2 3.64Å; Q535-L565 HydrophobicContact CG-CD2 4.29Å; Q535-L565 PolarHBondContact NE2-O 2.88Å; M539-L565 HydrophobicContact CG-CB 4.08Å; M539-L565 HydrophobicContact CG-CD1 3.85Å; M539-L565 HydrophobicContact SD-CB 4.35Å; L542-L565 HydrophobicContact CD1-CD1 3.78Å; C561-L565 WeakPolarHBondContact O-CG 3.32Å; C561-L565 PolarHBondContact O-N 3.32Å; L562-L565 PolarHBondContact O-N 3.01Å; V563-L565 PolarHBondContact O-N 3.22Å; L565-F567 VanDerWaalsContact C-N 3.31Å; L565-F567 PolarHBondContact O-N 3.11Å; L565-S568 WeakPolarHBondContact CA-OG 3.25Å; L565-S568 PolarHBondContact O-N 3.34Å; L565-S568 PolarHBondContact O-OG 2.83Å; L565-S569 PolarHBondContact O-N 3.05Å; L565-S569 PolarHBondContact O-OG 3.37Å
566V86.8Confident77.5Confident2 Ų252.4 Ų52.41%0.01230%0.295CS..Hα-helixtrans-61.3-40.2174.7172.40000111.5M539 L562 V563 S569 A570 N581 K584 L585 Y588M539-V566 HydrophobicContact CE-CG2 3.7Å; L562-V566 WeakPolarHBondContact O-CG2 3.45Å; L562-V566 PolarHBondContact O-N 3.05Å; V563-V566 PolarHBondContact O-N 3.37Å; V566-S569 PolarHBondContact O-OG 3.02Å; V566-A570 WeakPolarHBondContact O-CB 3.17Å; V566-A570 PolarHBondContact O-N 3.12Å; V566-A570 VanDerWaalsContact O-N 3.13Å; V566-N581 HydrophobicContact CG1-CB 3.82Å; V566-N581 VanDerWaalsContact CG1-O 3.28Å; V566-N581 WeakPolarHBondContact CG1-O 3.5Å; V566-K584 HydrophobicContact CG2-CB 4.4Å; V566-L585 HydrophobicContact CG1-CB 4.43Å; V566-L585 HydrophobicContact CG1-CD1 4.22Å; V566-Y588 HydrophobicContact CG2-CD2 4.37Å; V566-Y588 HydrophobicContact CG2-CE2 3.83Å
567F82.9Confident75.9Confident52 Ų5256.4 Ų56.423%0.22832%0.316CS..Hα-helixtrans-69.1-39.7175-73.7-59.1000112.4V563 R564 L565 S569 A570 E571 L585 I617V563-F567 HydrophobicContact CG1-CD2 3.85Å; V563-F567 HydrophobicContact CG1-CE2 3.57Å; V563-F567 WeakPolarHBondContact O-CD2 3.39Å; V563-F567 PolarHBondContact O-N 3.3Å; V563-F567 VanDerWaalsContact O-N 3.13Å; R564-F567 PolarHBondContact O-N 3.24Å; L565-F567 VanDerWaalsContact C-N 3.31Å; L565-F567 PolarHBondContact O-N 3.11Å; F567-S569 VanDerWaalsContact C-N 3.34Å; F567-S569 PolarHBondContact O-N 3.23Å; F567-A570 WeakPolarHBondContact O-CB 3.42Å; F567-A570 PolarHBondContact O-N 3.37Å; F567-A570 VanDerWaalsContact O-N 3.15Å; F567-E571 PolarHBondContact O-N 3.31Å; F567-E571 VanDerWaalsContact O-N 3.09Å; F567-L585 HydrophobicContact CD2-CD1 4.43Å; F567-L585 HydrophobicContact CE1-CD1 4.33Å; F567-L585 HydrophobicContact CE2-CD1 3.73Å; F567-L585 HydrophobicContact CZ-CD1 3.66Å; F567-I617 HydrophobicContact CE2-CD1 4.33Å; F567-I617 HydrophobicContact CE2-CG2 3.93Å; F567-I617 HydrophobicContact CZ-CG2 4.16Å
568S82.1Confident74.6Confident39 Ų3958.4 Ų58.427%0.27332%0.318SS..Hα-helixtrans-68.5-3017874.10000113.1Q535 R564 L565 N572Q535-S568 PolarHBondContact NE2-OG 3.36Å; R564-S568 PolarHBondContact O-N 2.91Å; L565-S568 WeakPolarHBondContact CA-OG 3.25Å; L565-S568 PolarHBondContact O-N 3.34Å; L565-S568 PolarHBondContact O-OG 2.83Å; S568-N572 PolarHBondContact O-ND2 3.47Å
569S73.6Confident73.3Confident18 Ų1861 Ų6113%0.12633%0.331CS..Hα-helixtrans-71.1-36.8169.851.40000111.8L565 V566 F567 N572 S573L565-S569 PolarHBondContact O-N 3.05Å; L565-S569 PolarHBondContact O-OG 3.37Å; V566-S569 PolarHBondContact O-OG 3.02Å; F567-S569 VanDerWaalsContact C-N 3.34Å; F567-S569 PolarHBondContact O-N 3.23Å; S569-N572 PolarHBondContact O-N 3.44Å; S569-S573 PolarHBondContact O-OG 3.27Å
570A64.9Low71.9Confident17 Ų1764.4 Ų64.414%0.1435%0.353CS..Hα-helixtrans-65.5-40.4-179.200000113V566 F567 N572 S573 N581V566-A570 WeakPolarHBondContact O-CB 3.17Å; V566-A570 PolarHBondContact O-N 3.12Å; V566-A570 VanDerWaalsContact O-N 3.13Å; F567-A570 WeakPolarHBondContact O-CB 3.42Å; F567-A570 PolarHBondContact O-N 3.37Å; F567-A570 VanDerWaalsContact O-N 3.15Å; A570-N572 PolarHBondContact O-N 3.08Å; A570-S573 PolarHBondContact O-N 3.09Å; A570-S573 PolarHBondContact O-OG 3.04Å; A570-N581 VanDerWaalsContact CA-ND2 3.33Å; A570-N581 WeakPolarHBondContact CA-ND2 3.46Å; A570-N581 HydrophobicContact CB-CB 4.27Å; A570-N581 WeakPolarHBondContact CB-ND2 3.46Å
571E63.4Low71Confident165 Ų16562 Ų6277%0.77134%0.344SS*.Hα-helixtrans-61-26.9176.9-73.3177.4179.800113.2F567F567-E571 PolarHBondContact O-N 3.31Å; F567-E571 VanDerWaalsContact O-N 3.09Å
572N57.9Low70.4Confident139 Ų13960.3 Ų60.374%0.74333%0.332SS*.THydrogen-bonded Turntrans-91.82.7-177.4-70.2-45.8000114.1S568 S569 A570S568-N572 PolarHBondContact O-ND2 3.47Å; S569-N572 PolarHBondContact O-N 3.44Å; A570-N572 PolarHBondContact O-N 3.08Å
573S52.3Low70Confident28 Ų2862.7 Ų62.720%0.19635%0.345CS..SBendtrans-126145.1-16962.70000113.4S569 A570 L577S569-S573 PolarHBondContact O-OG 3.27Å; A570-S573 PolarHBondContact O-N 3.09Å; A570-S573 PolarHBondContact O-OG 3.04Å; S573-L577 VanDerWaalsContact CB-CD2 3.46Å; S573-L577 WeakPolarHBondContact OG-CB 3.35Å
574A56.6Low69.8Low86 Ų8665.8 Ų65.871%0.71136%0.358SS*.  trans-64.6155.6175.800000111.8G576 L577A574-G576 PolarHBondContact O-N 2.84Å; A574-L577 PolarHBondContact O-N 2.91Å
575D55.3Low69.8Low117 Ų11758.8 Ų58.863%0.62633%0.332SS*.THydrogen-bonded Turntrans-42.6-32.6-167.9-97.7-26.1000116.3L577 R578D575-L577 VanDerWaalsContact C-N 3.31Å; D575-L577 PolarHBondContact O-N 3.4Å; D575-R578 WeakPolarHBondContact O-CB 3.39Å; D575-R578 PolarHBondContact O-N 3.41Å; D575-R578 WeakPolarHBondContact OD1-CD 3.34Å; D575-R578 IonicContact OD1-CZ 3.92Å; D575-R578 IonicContact OD1-NE 3.11Å; D575-R578 IonicContact OD1-NH1 2.75Å; D575-R578 PolarHBondContact OD1-NH1 3.36Å
576G52.1Low69.9Low65 Ų6558.1 Ų58.167%0.6733%0.328SS*.Hα-helixtrans-67.4-20.6178.900000115.8A574A574-G576 PolarHBondContact O-N 2.84Å
577L55Low70.1Confident85 Ų8561.5 Ų61.545%0.44535%0.351SS..Hα-helixtrans-86.9-12.3178-136.381.4000112.8S573 A574 D575 V580 N581S573-L577 VanDerWaalsContact CB-CD2 3.46Å; S573-L577 WeakPolarHBondContact OG-CB 3.35Å; A574-L577 PolarHBondContact O-N 2.91Å; D575-L577 VanDerWaalsContact C-N 3.31Å; D575-L577 PolarHBondContact O-N 3.4Å; L577-V580 PolarHBondContact O-N 2.88Å; L577-N581 PolarHBondContact O-N 3.15Å; L577-N581 VanDerWaalsContact O-N 3.12Å; L577-N581 PolarHBondContact O-ND2 3.04Å
578R61.6Low70.6Confident134 Ų13460 Ų6051%0.50634%0.344SS..Hα-helixtrans-63.3-43.1179.8-71.9-179.3170.3176.8-10.9111.6D575 V580 N581 L582D575-R578 WeakPolarHBondContact O-CB 3.39Å; D575-R578 PolarHBondContact O-N 3.41Å; D575-R578 WeakPolarHBondContact OD1-CD 3.34Å; D575-R578 IonicContact OD1-CZ 3.92Å; D575-R578 IonicContact OD1-NE 3.11Å; D575-R578 IonicContact OD1-NH1 2.75Å; D575-R578 PolarHBondContact OD1-NH1 3.36Å; R578-V580 PolarHBondContact O-N 2.6Å; R578-N581 PolarHBondContact O-N 3.23Å; R578-L582 WeakPolarHBondContact O-CG 3.47Å; R578-L582 PolarHBondContact O-N 3.5Å; R578-L582 VanDerWaalsContact O-N 3.11Å
579D61.4Low71.1Confident56 Ų5658.2 Ų58.230%0.29933%0.331SS..Hα-helixtrans-64.5-39.5177.8-76.3-12.4000112.6N581 L582 D583D579-N581 VanDerWaalsContact C-N 3.32Å; D579-N581 PolarHBondContact O-N 3.39Å; D579-L582 PolarHBondContact O-N 2.9Å; D579-D583 PolarHBondContact O-N 2.93Å; D579-D583 VanDerWaalsContact O-N 3.12Å
580V62.4Low72.1Confident75 Ų7561.9 Ų61.946%0.45534%0.344SS..Hα-helixtrans-66-36.4177.8-179.40000111.4L577 R578 D583 K584L577-V580 PolarHBondContact O-N 2.88Å; R578-V580 PolarHBondContact O-N 2.6Å; V580-D583 PolarHBondContact O-N 3.03Å; V580-K584 PolarHBondContact O-N 3.04Å
581N73.8Confident73.3Confident8 Ų865.8 Ų65.84%0.04336%0.356CS..Hα-helixtrans-69.9-36.7177-72.8-36.8000112V566 A570 L577 R578 D579 D583 K584 L585V566-N581 HydrophobicContact CG1-CB 3.82Å; V566-N581 VanDerWaalsContact CG1-O 3.28Å; V566-N581 WeakPolarHBondContact CG1-O 3.5Å; A570-N581 VanDerWaalsContact CA-ND2 3.33Å; A570-N581 WeakPolarHBondContact CA-ND2 3.46Å; A570-N581 HydrophobicContact CB-CB 4.27Å; A570-N581 WeakPolarHBondContact CB-ND2 3.46Å; L577-N581 PolarHBondContact O-N 3.15Å; L577-N581 VanDerWaalsContact O-N 3.12Å; L577-N581 PolarHBondContact O-ND2 3.04Å; R578-N581 PolarHBondContact O-N 3.23Å; D579-N581 VanDerWaalsContact C-N 3.32Å; D579-N581 PolarHBondContact O-N 3.39Å; N581-D583 VanDerWaalsContact C-N 3.34Å; N581-K584 PolarHBondContact O-N 3.06Å; N581-L585 PolarHBondContact O-N 3.44Å; N581-L585 VanDerWaalsContact O-N 3.11Å
582L78.3Confident74.7Confident10 Ų1058 Ų585%0.05232%0.319CS..Hα-helixtrans-64.9-37.6174-69168.4000111.9R578 D579 K584 L585 L586 F635R578-L582 WeakPolarHBondContact O-CG 3.47Å; R578-L582 PolarHBondContact O-N 3.5Å; R578-L582 VanDerWaalsContact O-N 3.11Å; D579-L582 PolarHBondContact O-N 2.9Å; L582-K584 VanDerWaalsContact C-N 3.31Å; L582-K584 PolarHBondContact O-N 3.27Å; L582-L585 PolarHBondContact O-N 2.96Å; L582-L586 PolarHBondContact O-N 2.97Å; L582-F635 HydrophobicContact CB-CE2 4.31Å; L582-F635 HydrophobicContact CD2-CE2 4.12Å; L582-F635 HydrophobicContact CD2-CZ 4.46Å
583D82.4Confident76.3Confident51 Ų5152.5 Ų52.527%0.27329%0.29SS..Hα-helixtrans-63.7-34.9174.7-75.4-36000112.5D579 V580 N581 P587 R628 R631D579-D583 PolarHBondContact O-N 2.93Å; D579-D583 VanDerWaalsContact O-N 3.12Å; V580-D583 PolarHBondContact O-N 3.03Å; N581-D583 VanDerWaalsContact C-N 3.34Å; D583-P587 WeakPolarHBondContact O-CD 3.42Å; D583-R628 IonicContact OD1-CZ 2.77Å; D583-R628 IonicContact OD1-NH1 2.72Å; D583-R628 PolarHBondContact OD1-NH1 3.46Å; D583-R628 IonicContact OD1-NH2 3.54Å; D583-R628 PolarHBondContact OD1-NH2 3.5Å; D583-R628 IonicContact OD2-CZ 2.66Å; D583-R628 IonicContact OD2-NH1 3.31Å; D583-R628 PolarHBondContact OD2-NH1 2.99Å; D583-R628 IonicContact OD2-NH2 3.84Å; D583-R631 IonicContact OD1-CZ 3.67Å; D583-R631 IonicContact OD1-NE 3.75Å; D583-R631 PolarHBondContact OD1-NE 3.16Å; D583-R631 IonicContact OD1-NH2 3.8Å; D583-R631 PolarHBondContact OD1-NH2 3.3Å
584K84.9Confident78.2Confident66 Ų6656 Ų5629%0.28730%0.303SS..Hα-helixtrans-70.5-32.8173-68.9-175179.5-173.70112.8E536 M539 V566 V580 N581 L582 P587 Y588E536-K584 IonicContact OE1-NZ 2.6Å; E536-K584 PolarHBondContact OE1-NZ 2.76Å; E536-K584 IonicContact OE2-NZ 2.69Å; E536-K584 PolarHBondContact OE2-NZ 3.33Å; M539-K584 HydrophobicContact CE-CD 4.33Å; V566-K584 HydrophobicContact CG2-CB 4.4Å; V580-K584 PolarHBondContact O-N 3.04Å; N581-K584 PolarHBondContact O-N 3.06Å; L582-K584 VanDerWaalsContact C-N 3.31Å; L582-K584 PolarHBondContact O-N 3.27Å; K584-P587 WeakPolarHBondContact O-CD 3.45Å; K584-Y588 VanDerWaalsContact O-CD2 3.31Å; K584-Y588 WeakPolarHBondContact O-CD2 3.49Å; K584-Y588 WeakPolarHBondContact O-CE2 3.32Å
585L89.1Confident79.7Confident1 Ų152.5 Ų52.51%0.00527%0.273CS..Hα-helixtrans-72.4-34.5-175.7-166.8125000112.9V563 V566 F567 N581 L582 Y588 L589 I617 S621 F635V563-L585 HydrophobicContact CG1-CD1 4.14Å; V563-L585 HydrophobicContact CG2-CD1 4.45Å; V566-L585 HydrophobicContact CG1-CB 4.43Å; V566-L585 HydrophobicContact CG1-CD1 4.22Å; F567-L585 HydrophobicContact CD2-CD1 4.43Å; F567-L585 HydrophobicContact CE1-CD1 4.33Å; F567-L585 HydrophobicContact CE2-CD1 3.73Å; F567-L585 HydrophobicContact CZ-CD1 3.66Å; N581-L585 PolarHBondContact O-N 3.44Å; N581-L585 VanDerWaalsContact O-N 3.11Å; L582-L585 PolarHBondContact O-N 2.96Å; L585-Y588 PolarHBondContact O-N 2.9Å; L585-L589 HydrophobicContact CD2-CD1 3.47Å; L585-L589 VanDerWaalsContact CD2-CD1 3.47Å; L585-L589 HydrophobicContact CD2-CG 3.84Å; L585-L589 HydrophobicContact CG-CG 4.38Å; L585-L589 PolarHBondContact O-N 3.12Å; L585-L589 VanDerWaalsContact O-N 3.07Å; L585-I617 HydrophobicContact CD1-CG2 4.5Å; L585-I617 HydrophobicContact CD2-CG2 4.29Å; L585-S621 WeakPolarHBondContact CD2-OG 3.04Å; L585-F635 HydrophobicContact CB-CZ 4.44Å; L585-F635 HydrophobicContact CD2-CD1 4.41Å; L585-F635 HydrophobicContact CD2-CE1 3.52Å; L585-F635 HydrophobicContact CD2-CZ 3.82Å
586L90.2Very high81.4Confident6 Ų647 Ų473%0.03124%0.243CC..Hα-helixtrans-59.8-48.8-175.6-177.673.7000113.5L582 Y588 L589 K590 R631 D634 F635 L638L582-L586 PolarHBondContact O-N 2.97Å; L586-Y588 VanDerWaalsContact C-N 3.31Å; L586-Y588 PolarHBondContact O-N 3.24Å; L586-L589 PolarHBondContact O-N 3.41Å; L586-K590 HydrophobicContact CG-CD 4.4Å; L586-K590 WeakPolarHBondContact O-CG 3.48Å; L586-K590 PolarHBondContact O-N 2.89Å; L586-R631 VanDerWaalsContact CD2-NH1 3.28Å; L586-D634 HydrophobicContact CD1-CB 3.99Å; L586-D634 HydrophobicContact CD2-CB 4.41Å; L586-F635 HydrophobicContact CB-CE1 4.02Å; L586-F635 HydrophobicContact CB-CZ 4.04Å; L586-F635 HydrophobicContact CD1-CD1 3.99Å; L586-F635 HydrophobicContact CD1-CE1 3.73Å; L586-F635 HydrophobicContact CD1-CZ 4.26Å; L586-L638 HydrophobicContact CD1-CD1 3.34Å
587P92.3Very high83Confident74 Ų7447 Ų4748%0.48123%0.233SC..Hα-helixtrans-56.9-39.8173.3-25.833.5000113.7D583 K584 K590 R591D583-P587 WeakPolarHBondContact O-CD 3.42Å; K584-P587 WeakPolarHBondContact O-CD 3.45Å; P587-K590 PolarHBondContact O-N 3.18Å; P587-R591 WeakPolarHBondContact O-CB 3.43Å; P587-R591 PolarHBondContact O-N 3.09Å
588Y93.5Very high84.2Confident21 Ų2150.1 Ų50.18%0.08225%0.245CC..Hα-helixtrans-65.7-42.1-179.8-57.2-29000111.7M539 E543 L559 L562 V566 K584 L585 L586 R591 A592M539-Y588 HydrophobicContact CE-CE2 4.42Å; E543-Y588 HydrophobicContact CG-CE1 4.21Å; E543-Y588 PolarHBondContact OE1-OH 3.02Å; L559-Y588 HydrophobicContact CD2-CD1 4.39Å; L559-Y588 HydrophobicContact CD2-CG 4.49Å; L562-Y588 HydrophobicContact CB-CD2 3.92Å; L562-Y588 HydrophobicContact CB-CE2 3.91Å; L562-Y588 HydrophobicContact CB-CG 4.37Å; L562-Y588 HydrophobicContact CD1-CD1 4.12Å; L562-Y588 HydrophobicContact CD1-CE1 3.97Å; L562-Y588 HydrophobicContact CD1-CG 4.49Å; L562-Y588 HydrophobicContact CD2-CE2 4.28Å; L562-Y588 HydrophobicContact CG-CE2 4.48Å; V566-Y588 HydrophobicContact CG2-CD2 4.37Å; V566-Y588 HydrophobicContact CG2-CE2 3.83Å; K584-Y588 VanDerWaalsContact O-CD2 3.31Å; K584-Y588 WeakPolarHBondContact O-CD2 3.49Å; K584-Y588 WeakPolarHBondContact O-CE2 3.32Å; L585-Y588 PolarHBondContact O-N 2.9Å; L586-Y588 VanDerWaalsContact C-N 3.31Å; L586-Y588 PolarHBondContact O-N 3.24Å; Y588-R591 PolarHBondContact O-N 3.02Å; Y588-A592 WeakPolarHBondContact O-CB 3.5Å; Y588-A592 PolarHBondContact O-N 2.83Å
589L93.1Very high84.6Confident0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-67.6-39.8175.2-65.2-171.2000112.5V563 L585 L586 R591 A592 L593 F614 I617 A618 F635 L638V563-L589 HydrophobicContact CG2-CD2 4.3Å; L585-L589 HydrophobicContact CD2-CD1 3.47Å; L585-L589 VanDerWaalsContact CD2-CD1 3.47Å; L585-L589 HydrophobicContact CD2-CG 3.84Å; L585-L589 HydrophobicContact CG-CG 4.38Å; L585-L589 PolarHBondContact O-N 3.12Å; L585-L589 VanDerWaalsContact O-N 3.07Å; L586-L589 PolarHBondContact O-N 3.41Å; L589-R591 VanDerWaalsContact C-N 3.33Å; L589-R591 PolarHBondContact O-N 3.3Å; L589-A592 WeakPolarHBondContact O-CB 3.44Å; L589-A592 PolarHBondContact O-N 2.95Å; L589-L593 PolarHBondContact O-N 3.37Å; L589-F614 HydrophobicContact CD2-CB 4.4Å; L589-F614 HydrophobicContact CD2-CD1 3.59Å; L589-F614 HydrophobicContact CD2-CE1 4.39Å; L589-F614 HydrophobicContact CD2-CG 4.45Å; L589-I617 HydrophobicContact CD1-CG2 4.45Å; L589-I617 HydrophobicContact CD2-CG2 4.15Å; L589-A618 HydrophobicContact CD1-CB 3.84Å; L589-F635 HydrophobicContact CD1-CD1 3.88Å; L589-F635 HydrophobicContact CD1-CE1 3.84Å; L589-L638 HydrophobicContact CB-CD1 4.11Å
590K92.9Very high84.4Confident95 Ų9545.8 Ų45.841%0.41324%0.239SC..Hα-helixtrans-61.4-42.3174.2-76.1-178.3178.4-178.70111.4L586 P587 L593 Q594 L638L586-K590 HydrophobicContact CG-CD 4.4Å; L586-K590 WeakPolarHBondContact O-CG 3.48Å; L586-K590 PolarHBondContact O-N 2.89Å; P587-K590 PolarHBondContact O-N 3.18Å; K590-L593 PolarHBondContact O-N 3.04Å; K590-Q594 WeakPolarHBondContact O-CG 3.4Å; K590-Q594 PolarHBondContact O-N 3.03Å; K590-Q594 VanDerWaalsContact O-N 3.08Å; K590-L638 HydrophobicContact CG-CD1 4.12Å; K590-L638 HydrophobicContact CG-CD2 3.92Å
591R91.4Very high84.5Confident100 Ų10050.4 Ų50.438%0.37726%0.255SS..Hα-helixtrans-64-42.4175-174.861.3170-177-2.3111.4C546 L559 P587 Y588 L589 L593 Q594 T595C546-R591 PolarHBondContact O-NH2 3.39Å; L559-R591 HydrophobicContact CD1-CB 4.32Å; L559-R591 HydrophobicContact CD1-CG 4.08Å; L559-R591 HydrophobicContact CD2-CB 4.31Å; L559-R591 HydrophobicContact CD2-CG 4.3Å; P587-R591 WeakPolarHBondContact O-CB 3.43Å; P587-R591 PolarHBondContact O-N 3.09Å; Y588-R591 PolarHBondContact O-N 3.02Å; L589-R591 VanDerWaalsContact C-N 3.33Å; L589-R591 PolarHBondContact O-N 3.3Å; R591-L593 PolarHBondContact O-N 3.09Å; R591-Q594 PolarHBondContact O-N 3.42Å; R591-T595 PolarHBondContact O-N 3.17Å; R591-T595 PolarHBondContact O-OG1 2.9Å; R591-T595 VanDerWaalsContact O-OG1 3.08Å
592A92Very high84.4Confident0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-59.1-46.1175.600000111.5L556 L559 Y588 L589 Q594 T595 I596 F614L556-A592 HydrophobicContact CD2-CB 4.49Å; L559-A592 HydrophobicContact CD1-CB 3.88Å; Y588-A592 WeakPolarHBondContact O-CB 3.5Å; Y588-A592 PolarHBondContact O-N 2.83Å; L589-A592 WeakPolarHBondContact O-CB 3.44Å; L589-A592 PolarHBondContact O-N 2.95Å; A592-Q594 PolarHBondContact O-N 2.87Å; A592-T595 PolarHBondContact O-N 3.17Å; A592-I596 WeakPolarHBondContact O-CD1 3.44Å; A592-I596 WeakPolarHBondContact O-CG1 3.38Å; A592-I596 PolarHBondContact O-N 2.91Å; A592-F614 HydrophobicContact CB-CD1 3.78Å; A592-F614 HydrophobicContact CB-CD2 3.85Å; A592-F614 HydrophobicContact CB-CE1 3.71Å; A592-F614 HydrophobicContact CB-CE2 3.83Å; A592-F614 HydrophobicContact CB-CG 3.85Å; A592-F614 HydrophobicContact CB-CZ 3.75Å
593L92.6Very high84.5Confident25 Ų2555.4 Ų55.413%0.13128%0.284CS..Hα-helixtrans-56.4-50.5175.5176.465.4000111.3L589 K590 R591 T595 I596 S597 L638 Q641 L642 L645L589-L593 PolarHBondContact O-N 3.37Å; K590-L593 PolarHBondContact O-N 3.04Å; R591-L593 PolarHBondContact O-N 3.09Å; L593-T595 PolarHBondContact O-N 3.48Å; L593-I596 PolarHBondContact O-N 3.29Å; L593-S597 WeakPolarHBondContact O-CB 3.32Å; L593-S597 PolarHBondContact O-N 3.25Å; L593-S597 PolarHBondContact O-OG 3.35Å; L593-L638 HydrophobicContact CD2-CD2 3.99Å; L593-Q641 HydrophobicContact CD1-CB 4.12Å; L593-Q641 HydrophobicContact CD2-CB 3.81Å; L593-Q641 HydrophobicContact CD2-CG 4.47Å; L593-L642 HydrophobicContact CB-CD2 4.01Å; L593-L642 HydrophobicContact CB-CG 4.47Å; L593-L642 HydrophobicContact CD1-CD2 3.74Å; L593-L642 HydrophobicContact CD1-CG 4.01Å; L593-L642 HydrophobicContact CG-CD2 4.5Å; L593-L645 HydrophobicContact CD1-CD1 3.88Å
594Q91.1Very high84.5Confident100 Ų10056.5 Ų56.547%0.46730%0.3SS..Hα-helixtrans-57.2-47.7177.6-70.8172.6-7.600112K590 R591 A592 I596 S597 H598K590-Q594 WeakPolarHBondContact O-CG 3.4Å; K590-Q594 PolarHBondContact O-N 3.03Å; K590-Q594 VanDerWaalsContact O-N 3.08Å; R591-Q594 PolarHBondContact O-N 3.42Å; A592-Q594 PolarHBondContact O-N 2.87Å; Q594-I596 PolarHBondContact O-N 3.33Å; Q594-S597 PolarHBondContact O-N 3.17Å; Q594-H598 PolarHBondContact O-CD2 3.14Å; Q594-H598 PolarHBondContact O-N 2.86Å; Q594-H598 VanDerWaalsContact O-N 3.11Å
595T88.8Confident84.4Confident14 Ų1460.7 Ų60.79%0.08632%0.321CS..Hα-helixtrans-62.4-41.7-179.9-59.50000112.1E552 V555 L556 R591 A592 L593 Q599E552-T595 HydrophobicContact CB-CG2 3.88Å; E552-T595 HydrophobicContact CG-CG2 4.13Å; V555-T595 HydrophobicContact CB-CG2 4.47Å; V555-T595 HydrophobicContact CG1-CG2 4.25Å; L556-T595 HydrophobicContact CD2-CG2 4.01Å; L556-T595 HydrophobicContact CG-CG2 4.01Å; R591-T595 PolarHBondContact O-N 3.17Å; R591-T595 PolarHBondContact O-OG1 2.9Å; R591-T595 VanDerWaalsContact O-OG1 3.08Å; A592-T595 PolarHBondContact O-N 3.17Å; L593-T595 PolarHBondContact O-N 3.48Å; T595-Q599 WeakPolarHBondContact O-CG 3.39Å
596I90Very high84.2Confident1 Ų166.6 Ų66.61%0.00534%0.343CS..Hα-helixtrans-71.7-36.3179.5-60.5166.6000110.9L556 A592 L593 Q594 R607 D610 A611 F614 L642 L645L556-I596 HydrophobicContact CD1-CG1 4.13Å; L556-I596 HydrophobicContact CD2-CD1 4.12Å; L556-I596 HydrophobicContact CD2-CG1 3.71Å; A592-I596 WeakPolarHBondContact O-CD1 3.44Å; A592-I596 WeakPolarHBondContact O-CG1 3.38Å; A592-I596 PolarHBondContact O-N 2.91Å; L593-I596 PolarHBondContact O-N 3.29Å; Q594-I596 PolarHBondContact O-N 3.33Å; I596-R607 HydrophobicContact CG2-CG 3.5Å; I596-R607 VanDerWaalsContact CG2-CG 3.5Å; I596-D610 HydrophobicContact CD1-CB 4.27Å; I596-A611 HydrophobicContact CD1-CB 4.46Å; I596-A611 HydrophobicContact CG2-CB 4.28Å; I596-F614 HydrophobicContact CD1-CD2 3.85Å; I596-F614 HydrophobicContact CD1-CE2 4.32Å; I596-L642 HydrophobicContact CD1-CD2 4.17Å; I596-L645 HydrophobicContact CB-CD1 4Å; I596-L645 HydrophobicContact CG2-CB 4.45Å; I596-L645 HydrophobicContact CG2-CD1 3.57Å
597S86.4Confident83.9Confident65 Ų6569.6 Ų69.646%0.45535%0.354SS..Hα-helixtrans-70.2-32.9179.9-65.60000113.9L593 Q594L593-S597 WeakPolarHBondContact O-CB 3.32Å; L593-S597 PolarHBondContact O-N 3.25Å; L593-S597 PolarHBondContact O-OG 3.35Å; Q594-S597 PolarHBondContact O-N 3.17Å
598H79.6Confident83.7Confident150 Ų15066.8 Ų66.869%0.69434%0.337SS*.Hα-helixtrans-88.2-4.3-177-71.3-59.6000114.9Q594 S600Q594-H598 PolarHBondContact O-CD2 3.14Å; Q594-H598 PolarHBondContact O-N 2.86Å; Q594-H598 VanDerWaalsContact O-N 3.11Å; H598-S600 PolarHBondContact O-N 3.42Å
599Q69.7Low83.6Confident10 Ų1071.9 Ų71.95%0.04736%0.362CS..  trans-64.5118.5-173.8-96.6164.315.300114.9E552 T595 M602 R607E552-Q599 HydrophobicContact CB-CG 4.42Å; E552-Q599 WeakPolarHBondContact OE2-CG 3.41Å; T595-Q599 WeakPolarHBondContact O-CG 3.39Å; Q599-M602 HydrophobicContact CG-CB 4.47Å; Q599-M602 HydrophobicContact CG-CG 4.29Å; Q599-M602 HydrophobicContact CG-SD 4.18Å; Q599-M602 PolarHBondContact NE2-SD 3.08Å; Q599-M602 PolarHBondContact OE1-SD 3.29Å; Q599-M602 VanDerWaalsContact OE1-SD 3.36Å; Q599-R607 PolarHBondContact O-NH2 3.02Å
600S58.1Low83.4Confident90 Ų9072 Ų7263%0.62936%0.363SS*.SBendtrans-95.7-23.1171.453.50000114.7H598H598-S600 PolarHBondContact O-N 3.42Å
601H64.1Low83.4Confident172 Ų17267.5 Ų67.580%0.79634%0.343SS*.SBendtrans-110.5-3.6-166.5-64.3-69.3000116
602M73Confident83.4Confident33 Ų3365.3 Ų65.316%0.16334%0.339CS..SBendtrans-89.5146.3179.2-76.5-169.245.200113.3L556 Q599 R606L556-M602 HydrophobicContact CD1-SD 4.42Å; Q599-M602 HydrophobicContact CG-CB 4.47Å; Q599-M602 HydrophobicContact CG-CG 4.29Å; Q599-M602 HydrophobicContact CG-SD 4.18Å; Q599-M602 PolarHBondContact NE2-SD 3.08Å; Q599-M602 PolarHBondContact OE1-SD 3.29Å; Q599-M602 VanDerWaalsContact OE1-SD 3.36Å; M602-R606 HydrophobicContact CE-CB 3.81Å; M602-R606 HydrophobicContact CE-CG 3.47Å; M602-R606 VanDerWaalsContact CE-CG 3.47Å
603T79.9Confident83.5Confident89 Ų8968.2 Ų68.255%0.54635%0.35SS..  trans-62.6143.6171.254.90000110.9E605 R606 R607T603-E605 PolarHBondContact O-N 3.28Å; T603-R606 PolarHBondContact O-N 3.11Å; T603-R606 WeakPolarHBondContact OG1-CB 3.31Å; T603-R607 PolarHBondContact O-N 2.88Å; T603-R607 VanDerWaalsContact O-N 3.09Å
604A81Confident83.6Confident74 Ų7467 Ų6761%0.61234%0.343SS*.Hα-helixtrans-56-36.3179.100000113.2A608A604-A608 WeakPolarHBondContact O-CB 3.44Å; A604-A608 PolarHBondContact O-N 3.47Å
605E83.9Confident83.8Confident154 Ų15464 Ų6472%0.7233%0.328SS*.Hα-helixtrans-61.8-56178-68170.4-176.200111.8T603 R607 A608 E609T603-E605 PolarHBondContact O-N 3.28Å; E605-R607 VanDerWaalsContact C-N 3.3Å; E605-R607 PolarHBondContact O-N 3.46Å; E605-A608 WeakPolarHBondContact O-CB 3.44Å; E605-A608 PolarHBondContact O-N 3.21Å; E605-E609 WeakPolarHBondContact O-CG 3.43Å; E605-E609 PolarHBondContact O-N 3.03Å
606R83.9Confident84Confident125 Ų12568.4 Ų68.447%0.47235%0.346SS..Hα-helixtrans-61.3-37.5178.9-165.5172.2171.7169.6-0.4112.8M602 T603 A608 E609 D610M602-R606 HydrophobicContact CE-CB 3.81Å; M602-R606 HydrophobicContact CE-CG 3.47Å; M602-R606 VanDerWaalsContact CE-CG 3.47Å; T603-R606 PolarHBondContact O-N 3.11Å; T603-R606 WeakPolarHBondContact OG1-CB 3.31Å; R606-A608 VanDerWaalsContact C-N 3.34Å; R606-A608 PolarHBondContact O-N 2.99Å; R606-E609 PolarHBondContact O-N 3.4Å; R606-D610 WeakPolarHBondContact O-CB 3.33Å; R606-D610 PolarHBondContact O-N 3.37Å
607R85.8Confident84.2Confident69 Ų6969.7 Ų69.726%0.2635%0.352SS..Hα-helixtrans-59.6-45.7173.1-171.2-171-70.9140.6-1111.1I596 Q599 T603 E605 A611I596-R607 HydrophobicContact CG2-CG 3.5Å; I596-R607 VanDerWaalsContact CG2-CG 3.5Å; Q599-R607 PolarHBondContact O-NH2 3.02Å; T603-R607 PolarHBondContact O-N 2.88Å; T603-R607 VanDerWaalsContact O-N 3.09Å; E605-R607 VanDerWaalsContact C-N 3.3Å; E605-R607 PolarHBondContact O-N 3.46Å; R607-A611 VanDerWaalsContact O-CB 3.24Å; R607-A611 WeakPolarHBondContact O-CB 3.48Å; R607-A611 PolarHBondContact O-N 2.88Å
608A87.6Confident84.6Confident15 Ų1566.6 Ų66.612%0.12433%0.33CS..Hα-helixtrans-66.2-38.917800000112.6A604 E605 R606 N612 P647A604-A608 WeakPolarHBondContact O-CB 3.44Å; A604-A608 PolarHBondContact O-N 3.47Å; E605-A608 WeakPolarHBondContact O-CB 3.44Å; E605-A608 PolarHBondContact O-N 3.21Å; R606-A608 VanDerWaalsContact C-N 3.34Å; R606-A608 PolarHBondContact O-N 2.99Å; A608-N612 WeakPolarHBondContact O-CB 3.14Å; A608-N612 PolarHBondContact O-N 2.76Å; A608-P647 VanDerWaalsContact CB-CD 3.48Å; A608-P647 HydrophobicContact CB-CG 4.43Å
609E89.9Confident85.2Confident128 Ų12862.5 Ų62.560%0.59831%0.309SS*.Hα-helixtrans-62.6-47.9175.3-73179.1173.800112.1E605 R606 N612 W613E605-E609 WeakPolarHBondContact O-CG 3.43Å; E605-E609 PolarHBondContact O-N 3.03Å; R606-E609 PolarHBondContact O-N 3.4Å; E609-N612 PolarHBondContact O-N 3.17Å; E609-W613 WeakPolarHBondContact O-CB 3.31Å; E609-W613 PolarHBondContact O-N 3.31Å
610D90.4Very high86.3Confident4 Ų465.9 Ų65.92%0.02133%0.328CS..Hα-helixtrans-63.8-47.2178.6-70-23.2000110.8L556 R560 I596 R606 N612 W613 F614L556-D610 HydrophobicContact CD1-CB 4.28Å; L556-D610 WeakPolarHBondContact CD1-OD2 3.3Å; R560-D610 IonicContact CZ-OD1 3.66Å; R560-D610 IonicContact NH1-OD1 3.82Å; R560-D610 PolarHBondContact NH1-OD1 2.98Å; R560-D610 IonicContact NH2-OD1 2.7Å; R560-D610 PolarHBondContact NH2-OD1 3.36Å; I596-D610 HydrophobicContact CD1-CB 4.27Å; R606-D610 WeakPolarHBondContact O-CB 3.33Å; R606-D610 PolarHBondContact O-N 3.37Å; D610-N612 PolarHBondContact O-N 2.94Å; D610-W613 PolarHBondContact O-N 3.31Å; D610-F614 WeakPolarHBondContact O-CD2 3.2Å; D610-F614 PolarHBondContact O-N 3.46Å; D610-F614 VanDerWaalsContact O-N 3.11Å
611A91.8Very high87.9Confident0 Ų061.6 Ų61.60%030%0.298CS..Hα-helixtrans-57.9-46.5175.300000112.3I596 R607 W613 F614 R615 L645I596-A611 HydrophobicContact CD1-CB 4.46Å; I596-A611 HydrophobicContact CG2-CB 4.28Å; R607-A611 VanDerWaalsContact O-CB 3.24Å; R607-A611 WeakPolarHBondContact O-CB 3.48Å; R607-A611 PolarHBondContact O-N 2.88Å; A611-W613 VanDerWaalsContact C-N 3.32Å; A611-W613 PolarHBondContact O-N 3.45Å; A611-F614 PolarHBondContact O-N 3.3Å; A611-R615 WeakPolarHBondContact O-CB 3.5Å; A611-R615 PolarHBondContact O-N 3.01Å; A611-L645 HydrophobicContact CB-CB 3.9Å
612N92.2Very high89.1Confident53 Ų5353.4 Ų53.428%0.28326%0.26SS..Hα-helixtrans-65.7-34.2179.7-172.538.6000112.3A608 E609 D610 R615 K616A608-N612 WeakPolarHBondContact O-CB 3.14Å; A608-N612 PolarHBondContact O-N 2.76Å; E609-N612 PolarHBondContact O-N 3.17Å; D610-N612 PolarHBondContact O-N 2.94Å; N612-R615 PolarHBondContact OD1-NE 3.36Å; N612-R615 PolarHBondContact OD1-NH2 3.5Å; N612-K616 WeakPolarHBondContact O-CG 3.32Å; N612-K616 PolarHBondContact O-N 2.95Å; N612-K616 VanDerWaalsContact O-N 3.16Å
613W94.7Very high89.9Confident61 Ų6156 Ų5623%0.23127%0.274CS..Hα-helixtrans-63.8-54.6174.7-172.190.6000111.1R560 V563 E609 D610 A611 R615 K616 I617R560-W613 HydrophobicContact CB-CH2 4.1Å; R560-W613 HydrophobicContact CB-CZ3 4.31Å; R560-W613 HydrophobicContact CG-CD2 4.21Å; R560-W613 HydrophobicContact CG-CE3 3.81Å; R560-W613 HydrophobicContact CG-CH2 3.83Å; R560-W613 HydrophobicContact CG-CZ2 4.21Å; R560-W613 HydrophobicContact CG-CZ3 3.63Å; V563-W613 HydrophobicContact CB-CH2 4Å; V563-W613 HydrophobicContact CB-CZ3 4.39Å; V563-W613 HydrophobicContact CG1-CH2 3.68Å; V563-W613 HydrophobicContact CG1-CZ3 4.2Å; E609-W613 WeakPolarHBondContact O-CB 3.31Å; E609-W613 PolarHBondContact O-N 3.31Å; D610-W613 PolarHBondContact O-N 3.31Å; A611-W613 VanDerWaalsContact C-N 3.32Å; A611-W613 PolarHBondContact O-N 3.45Å; W613-R615 VanDerWaalsContact C-N 3.29Å; W613-R615 PolarHBondContact O-N 3Å; W613-K616 PolarHBondContact O-N 3.08Å; W613-I617 HydrophobicContact CD2-CG1 4.26Å; W613-I617 HydrophobicContact CE3-CG1 4.02Å; W613-I617 HydrophobicContact CH2-CD1 4.36Å; W613-I617 HydrophobicContact CH2-CG1 3.9Å; W613-I617 HydrophobicContact CZ2-CD1 4.27Å; W613-I617 HydrophobicContact CZ2-CG1 4.14Å; W613-I617 HydrophobicContact CZ3-CG1 3.81Å; W613-I617 WeakPolarHBondContact O-CG1 3.36Å; W613-I617 PolarHBondContact O-N 3.28Å
614F94.8Very high90.2Very high0 Ų057.1 Ų57.10%027%0.273CS..Hα-helixtrans-64.4-34.7179.6-72.5-71.9000112L556 L559 R560 L589 A592 I596 D610 A611 K616 I617 A618 L642L556-F614 HydrophobicContact CD2-CE2 3.9Å; L556-F614 HydrophobicContact CD2-CZ 4.42Å; L559-F614 HydrophobicContact CB-CE1 4.16Å; L559-F614 HydrophobicContact CB-CZ 3.95Å; R560-F614 HydrophobicContact CG-CE1 4.39Å; R560-F614 HydrophobicContact CG-CE2 4.41Å; R560-F614 HydrophobicContact CG-CZ 3.84Å; L589-F614 HydrophobicContact CD2-CB 4.4Å; L589-F614 HydrophobicContact CD2-CD1 3.59Å; L589-F614 HydrophobicContact CD2-CE1 4.39Å; L589-F614 HydrophobicContact CD2-CG 4.45Å; A592-F614 HydrophobicContact CB-CD1 3.78Å; A592-F614 HydrophobicContact CB-CD2 3.85Å; A592-F614 HydrophobicContact CB-CE1 3.71Å; A592-F614 HydrophobicContact CB-CE2 3.83Å; A592-F614 HydrophobicContact CB-CG 3.85Å; A592-F614 HydrophobicContact CB-CZ 3.75Å; I596-F614 HydrophobicContact CD1-CD2 3.85Å; I596-F614 HydrophobicContact CD1-CE2 4.32Å; D610-F614 WeakPolarHBondContact O-CD2 3.2Å; D610-F614 PolarHBondContact O-N 3.46Å; D610-F614 VanDerWaalsContact O-N 3.11Å; A611-F614 PolarHBondContact O-N 3.3Å; F614-K616 PolarHBondContact O-N 3.2Å; F614-I617 PolarHBondContact O-N 3.33Å; F614-A618 WeakPolarHBondContact O-CB 3.41Å; F614-A618 PolarHBondContact O-N 3.02Å; F614-L642 HydrophobicContact CB-CD1 3.65Å; F614-L642 HydrophobicContact CB-CD2 4.25Å
615R94.4Very high90.3Very high38 Ų3853.7 Ų53.714%0.14324%0.244CC..Hα-helixtrans-56.9-49.1174.4178.9-168.971.676.9-3.9111.7A611 N612 W613 I617 A618 W619 S639 L642 S643A611-R615 WeakPolarHBondContact O-CB 3.5Å; A611-R615 PolarHBondContact O-N 3.01Å; N612-R615 PolarHBondContact OD1-NE 3.36Å; N612-R615 PolarHBondContact OD1-NH2 3.5Å; W613-R615 VanDerWaalsContact C-N 3.29Å; W613-R615 PolarHBondContact O-N 3Å; R615-I617 VanDerWaalsContact C-N 3.31Å; R615-I617 PolarHBondContact O-N 3.47Å; R615-A618 PolarHBondContact O-N 3.27Å; R615-W619 PolarHBondContact O-N 2.92Å; R615-S639 WeakPolarHBondContact CG-O 3.2Å; R615-L642 HydrophobicContact CB-CB 3.97Å; R615-S643 VanDerWaalsContact CD-CB 3.5Å
616K93.3Very high90.1Very high106 Ų10654.1 Ų54.146%0.46125%0.246SC..Hα-helixtrans-63.3-38.7178.6-72.7175.7-179.4-178.80111.6N612 W613 F614 W619 N620N612-K616 WeakPolarHBondContact O-CG 3.32Å; N612-K616 PolarHBondContact O-N 2.95Å; N612-K616 VanDerWaalsContact O-N 3.16Å; W613-K616 PolarHBondContact O-N 3.08Å; F614-K616 PolarHBondContact O-N 3.2Å; K616-W619 PolarHBondContact O-N 2.9Å; K616-N620 WeakPolarHBondContact O-CB 3.34Å; K616-N620 VanDerWaalsContact O-CG 3.25Å; K616-N620 PolarHBondContact O-N 3.38Å
617I93.8Very high90Very high27 Ų2752.1 Ų52.114%0.13825%0.251CS..Hα-helixtrans-63.5-46.5174.6-62.6-57000110.9V563 F567 L585 L589 W613 F614 R615 W619 N620 S621V563-I617 HydrophobicContact CG1-CG1 4.38Å; V563-I617 HydrophobicContact CG1-CG2 3.84Å; F567-I617 HydrophobicContact CE2-CD1 4.33Å; F567-I617 HydrophobicContact CE2-CG2 3.93Å; F567-I617 HydrophobicContact CZ-CG2 4.16Å; L585-I617 HydrophobicContact CD1-CG2 4.5Å; L585-I617 HydrophobicContact CD2-CG2 4.29Å; L589-I617 HydrophobicContact CD1-CG2 4.45Å; L589-I617 HydrophobicContact CD2-CG2 4.15Å; W613-I617 HydrophobicContact CD2-CG1 4.26Å; W613-I617 HydrophobicContact CE3-CG1 4.02Å; W613-I617 HydrophobicContact CH2-CD1 4.36Å; W613-I617 HydrophobicContact CH2-CG1 3.9Å; W613-I617 HydrophobicContact CZ2-CD1 4.27Å; W613-I617 HydrophobicContact CZ2-CG1 4.14Å; W613-I617 HydrophobicContact CZ3-CG1 3.81Å; W613-I617 WeakPolarHBondContact O-CG1 3.36Å; W613-I617 PolarHBondContact O-N 3.28Å; F614-I617 PolarHBondContact O-N 3.33Å; R615-I617 VanDerWaalsContact C-N 3.31Å; R615-I617 PolarHBondContact O-N 3.47Å; I617-W619 PolarHBondContact O-N 2.86Å; I617-N620 PolarHBondContact O-N 3.12Å; I617-S621 WeakPolarHBondContact O-CB 3.45Å; I617-S621 PolarHBondContact O-N 3.49Å; I617-S621 PolarHBondContact O-OG 3.17Å
618A93.8Very high89.9Confident0 Ų051.3 Ų51.30%025%0.248CC..Hα-helixtrans-57.9-48.9177.100000111L589 F614 R615 N620 S621 A622 F635 L638L589-A618 HydrophobicContact CD1-CB 3.84Å; F614-A618 WeakPolarHBondContact O-CB 3.41Å; F614-A618 PolarHBondContact O-N 3.02Å; R615-A618 PolarHBondContact O-N 3.27Å; A618-N620 PolarHBondContact O-N 3.48Å; A618-S621 PolarHBondContact O-N 2.88Å; A618-A622 PolarHBondContact O-N 2.91Å; A618-F635 WeakPolarHBondContact O-CB 3.29Å; A618-L638 HydrophobicContact CB-CB 4.18Å
619W93.9Very high89.9Confident64 Ų6451 Ų5124%0.24225%0.245CC..Hα-helixtrans-56.2-51.7175.8177.3-85.6000112.6R615 K616 I617 S621 A622 L623 F636 T658 S659R615-W619 PolarHBondContact O-N 2.92Å; K616-W619 PolarHBondContact O-N 2.9Å; I617-W619 PolarHBondContact O-N 2.86Å; W619-S621 VanDerWaalsContact C-N 3.28Å; W619-S621 PolarHBondContact O-N 3.35Å; W619-A622 WeakPolarHBondContact O-CB 3.41Å; W619-A622 PolarHBondContact O-N 3.36Å; W619-L623 PolarHBondContact O-N 3.3Å; W619-F636 HydrophobicContact CD2-CD1 4.5Å; W619-F636 HydrophobicContact CD2-CE1 4Å; W619-F636 AromaticContact CE3-CD1 3.78Å; W619-F636 HydrophobicContact CE3-CD1 3.78Å; W619-F636 AromaticContact CE3-CE1 3.62Å; W619-F636 HydrophobicContact CE3-CE1 3.62Å; W619-F636 AromaticContact CH2-CE1 3.94Å; W619-F636 HydrophobicContact CH2-CE1 3.94Å; W619-F636 HydrophobicContact CZ2-CE1 4.31Å; W619-F636 AromaticContact CZ3-CD1 3.84Å; W619-F636 HydrophobicContact CZ3-CD1 3.84Å; W619-F636 AromaticContact CZ3-CE1 3.6Å; W619-F636 HydrophobicContact CZ3-CE1 3.6Å; W619-T658 HydrophobicContact CH2-CG2 3.63Å; W619-T658 HydrophobicContact CZ3-CG2 4.36Å; W619-S659 WeakPolarHBondContact CZ3-OG 3.23Å
620N92.3Very high89.8Confident82 Ų8247 Ų4744%0.43923%0.228SC..Hα-helixtrans-64.8-34.4-179.1-70.9-11.2000112.1K616 I617 A618 L623K616-N620 WeakPolarHBondContact O-CB 3.34Å; K616-N620 VanDerWaalsContact O-CG 3.25Å; K616-N620 PolarHBondContact O-N 3.38Å; I617-N620 PolarHBondContact O-N 3.12Å; A618-N620 PolarHBondContact O-N 3.48Å; N620-L623 PolarHBondContact O-N 2.71Å
621S90.6Very high89.7Confident0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-69.4-37.5176.4-52.40000111.1L585 I617 A618 W619 L623 Q624 C625L585-S621 WeakPolarHBondContact CD2-OG 3.04Å; I617-S621 WeakPolarHBondContact O-CB 3.45Å; I617-S621 PolarHBondContact O-N 3.49Å; I617-S621 PolarHBondContact O-OG 3.17Å; A618-S621 PolarHBondContact O-N 2.88Å; W619-S621 VanDerWaalsContact C-N 3.28Å; W619-S621 PolarHBondContact O-N 3.35Å; S621-L623 VanDerWaalsContact C-N 3.3Å; S621-L623 PolarHBondContact O-N 3.16Å; S621-Q624 PolarHBondContact O-N 3.21Å; S621-Q624 VanDerWaalsContact O-N 3.1Å; S621-C625 PolarHBondContact O-SG 3.47Å
622A91.1Very high89.7Confident0 Ų050.7 Ų50.70%024%0.243CC..Hα-helixtrans-59.8-40.517500000112.1A618 W619 Q624 C625 F635 F636A618-A622 PolarHBondContact O-N 2.91Å; W619-A622 WeakPolarHBondContact O-CB 3.41Å; W619-A622 PolarHBondContact O-N 3.36Å; A622-Q624 PolarHBondContact O-N 2.63Å; A622-C625 WeakPolarHBondContact O-CB 3.47Å; A622-C625 PolarHBondContact O-N 2.97Å; A622-C625 VanDerWaalsContact O-N 3.12Å; A622-F635 HydrophobicContact CB-CB 3.59Å; A622-F636 HydrophobicContact CB-CD1 3.73Å; A622-F636 HydrophobicContact CB-CD2 3.72Å; A622-F636 HydrophobicContact CB-CE1 3.68Å; A622-F636 HydrophobicContact CB-CE2 3.67Å; A622-F636 HydrophobicContact CB-CG 3.73Å; A622-F636 HydrophobicContact CB-CZ 3.64Å
623L89.1Confident89.7Confident88 Ų8850.2 Ų50.246%0.46124%0.237SC..Hα-helixtrans-65.3-20.2177.4-65.1177.8000113.5W619 N620 S621 C625 F636W619-L623 PolarHBondContact O-N 3.3Å; N620-L623 PolarHBondContact O-N 2.71Å; S621-L623 VanDerWaalsContact C-N 3.3Å; S621-L623 PolarHBondContact O-N 3.16Å; L623-C625 VanDerWaalsContact C-N 3.35Å; L623-F636 HydrophobicContact CD2-CZ 4.06Å
624Q85.3Confident89.6Confident112 Ų11248.7 Ų48.752%0.52323%0.233SC..THydrogen-bonded Turntrans-86.1-7.2177-64.7176.111.500112.8S621 A622 E626S621-Q624 PolarHBondContact O-N 3.21Å; S621-Q624 VanDerWaalsContact O-N 3.1Å; A622-Q624 PolarHBondContact O-N 2.63Å; Q624-E626 PolarHBondContact O-N 3.46Å
625C84.4Confident89.6Confident1 Ų148.7 Ų48.71%0.00723%0.233CC..  trans-93.732.2-173.8-64.80000114.2S621 A622 L623 S627 R628 R631 M632S621-C625 PolarHBondContact O-SG 3.47Å; A622-C625 WeakPolarHBondContact O-CB 3.47Å; A622-C625 PolarHBondContact O-N 2.97Å; A622-C625 VanDerWaalsContact O-N 3.12Å; L623-C625 VanDerWaalsContact C-N 3.35Å; C625-S627 PolarHBondContact O-N 3.3Å; C625-S627 VanDerWaalsContact O-N 3.11Å; C625-R628 CarbonylContact O-C 3.54Å; C625-R628 PolarHBondContact O-N 2.96Å; C625-R631 HydrophobicContact CB-CB 4.33Å; C625-M632 HydrophobicContact CB-CB 3.77Å; C625-M632 WeakPolarHBondContact O-CE 3.42Å
626E79.9Confident89.7Confident163 Ų16347 Ų4776%0.76223%0.227SC*.THydrogen-bonded Turntrans-53.9-35.3-174.2-67.3-174.7177.400113.8Q624Q624-E626 PolarHBondContact O-N 3.46Å
627S80.4Confident89.7Confident83 Ų8343 Ų4358%0.5821%0.212SC*.THydrogen-bonded Turntrans-81.9-12.9179.456.60000114.3C625C625-S627 PolarHBondContact O-N 3.3Å; C625-S627 VanDerWaalsContact O-N 3.11Å
628R84.8Confident89.8Confident52 Ų5242 Ų4220%0.19621%0.206CC..  trans-130.683.9-167.9-73-168.764.9174.2-1.9111.9D583 C625 D630 R631 M632D583-R628 IonicContact OD1-CZ 2.77Å; D583-R628 IonicContact OD1-NH1 2.72Å; D583-R628 PolarHBondContact OD1-NH1 3.46Å; D583-R628 IonicContact OD1-NH2 3.54Å; D583-R628 PolarHBondContact OD1-NH2 3.5Å; D583-R628 IonicContact OD2-CZ 2.66Å; D583-R628 IonicContact OD2-NH1 3.31Å; D583-R628 PolarHBondContact OD2-NH1 2.99Å; D583-R628 IonicContact OD2-NH2 3.84Å; C625-R628 CarbonylContact O-C 3.54Å; C625-R628 PolarHBondContact O-N 2.96Å; R628-D630 WeakPolarHBondContact CB-OD1 3.33Å; R628-D630 IonicContact CZ-OD2 2.71Å; R628-D630 IonicContact NE-OD1 3.38Å; R628-D630 IonicContact NE-OD2 2.88Å; R628-D630 IonicContact NH2-OD2 3.84Å; R628-D630 PolarHBondContact NH2-OD2 3.43Å; R628-D630 VanDerWaalsContact NH2-OD2 3.11Å; R628-D630 PolarHBondContact O-N 3.4Å; R628-R631 HydrophobicContact CB-CB 4.25Å; R628-R631 HydrophobicContact CB-CG 4.43Å; R628-R631 PolarHBondContact O-N 2.81Å; R628-R631 VanDerWaalsContact O-N 3.15Å; R628-M632 PolarHBondContact O-N 3.29Å
629P86.8Confident89.9Confident10 Ų1042 Ų427%0.06521%0.206CC..Hα-helixtrans-63-27.4-177.224.1-32.8000113.1R633 E669 L670P629-R633 WeakPolarHBondContact O-CB 3.46Å; P629-R633 PolarHBondContact O-N 2.92Å; P629-E669 HydrophobicContact CB-CB 4.45Å; P629-L670 HydrophobicContact CB-CB 4.35Å; P629-L670 HydrophobicContact CG-CB 4.4Å; P629-L670 HydrophobicContact CG-CD1 4.12Å
630D87.3Confident89.9Confident43 Ų4341 Ų4123%0.2320%0.203CC..Hα-helixtrans-58.7-50.8172.662.6-47.9000111.8R628 D634 L670R628-D630 WeakPolarHBondContact CB-OD1 3.33Å; R628-D630 IonicContact CZ-OD2 2.71Å; R628-D630 IonicContact NE-OD1 3.38Å; R628-D630 IonicContact NE-OD2 2.88Å; R628-D630 IonicContact NH2-OD2 3.84Å; R628-D630 PolarHBondContact NH2-OD2 3.43Å; R628-D630 VanDerWaalsContact NH2-OD2 3.11Å; R628-D630 PolarHBondContact O-N 3.4Å; D630-D634 VanDerWaalsContact O-CG 3.28Å; D630-D634 PolarHBondContact O-N 2.91Å; D630-D634 VanDerWaalsContact O-N 3.15Å; D630-L670 HydrophobicContact CB-CD1 4.39Å
631R89.4Confident90.1Very high56 Ų5640.7 Ų40.721%0.21120%0.199CC..Hα-helixtrans-74.3-37.3179.7-66.3-52.2-167.1-150.4-2.6112.4D583 L586 C625 R628 R633 D634 F635D583-R631 IonicContact OD1-CZ 3.67Å; D583-R631 IonicContact OD1-NE 3.75Å; D583-R631 PolarHBondContact OD1-NE 3.16Å; D583-R631 IonicContact OD1-NH2 3.8Å; D583-R631 PolarHBondContact OD1-NH2 3.3Å; L586-R631 VanDerWaalsContact CD2-NH1 3.28Å; C625-R631 HydrophobicContact CB-CB 4.33Å; R628-R631 HydrophobicContact CB-CB 4.25Å; R628-R631 HydrophobicContact CB-CG 4.43Å; R628-R631 PolarHBondContact O-N 2.81Å; R628-R631 VanDerWaalsContact O-N 3.15Å; R631-R633 VanDerWaalsContact C-N 3.32Å; R631-R633 PolarHBondContact O-N 3.47Å; R631-D634 IonicContact NH1-OD2 3.57Å; R631-D634 PolarHBondContact O-N 3.5Å; R631-F635 HydrophobicContact CB-CD2 4.49Å; R631-F635 HydrophobicContact CB-CE2 4.4Å; R631-F635 WeakPolarHBondContact O-CD2 3.34Å; R631-F635 PolarHBondContact O-N 3.41Å
632M91.7Very high90.2Very high25 Ų2540.7 Ų40.712%0.12320%0.199CC..Hα-helixtrans-56.1-49.5174.6-175.1179.6-6800110.7C625 R628 F635 F636 A666C625-M632 HydrophobicContact CB-CB 3.77Å; C625-M632 WeakPolarHBondContact O-CE 3.42Å; R628-M632 PolarHBondContact O-N 3.29Å; M632-F635 PolarHBondContact O-N 2.89Å; M632-F636 HydrophobicContact CG-CD2 3.66Å; M632-F636 HydrophobicContact CG-CE2 3.41Å; M632-F636 VanDerWaalsContact CG-CE2 3.41Å; M632-F636 WeakPolarHBondContact O-CD2 3.46Å; M632-F636 PolarHBondContact O-N 3.06Å; M632-F636 HydrophobicContact SD-CE2 3.96Å; M632-A666 HydrophobicContact CB-CB 4.3Å; M632-A666 HydrophobicContact CG-CB 4.2Å; M632-A666 HydrophobicContact SD-CB 4.22Å
633R92.4Very high90.3Very high44 Ų4440.8 Ų40.817%0.16620%0.199CC..Hα-helixtrans-56.4-54.7174.6178.5-161.667.3-160.6-4.8111.2P629 R631 F635 F636 V637 A666 S667 D682P629-R633 WeakPolarHBondContact O-CB 3.46Å; P629-R633 PolarHBondContact O-N 2.92Å; R631-R633 VanDerWaalsContact C-N 3.32Å; R631-R633 PolarHBondContact O-N 3.47Å; R633-F635 VanDerWaalsContact C-N 3.28Å; R633-F635 PolarHBondContact O-N 3.27Å; R633-F636 PolarHBondContact O-N 3.48Å; R633-V637 HydrophobicContact CG-CG2 4.28Å; R633-V637 VanDerWaalsContact O-CG2 3.29Å; R633-V637 WeakPolarHBondContact O-CG2 3.5Å; R633-V637 PolarHBondContact O-N 3.48Å; R633-A666 HydrophobicContact CB-CB 4.01Å; R633-S667 WeakPolarHBondContact CD-OG 3.35Å; R633-S667 WeakPolarHBondContact CG-OG 3.49Å; R633-D682 IonicContact NH1-OD1 3.34Å
634D92.7Very high90.4Very high29 Ų2941.1 Ų41.116%0.15520%0.201CC..Hα-helixtrans-56.8-40.8-175.4-72.1-1.4000112.2L586 D630 R631 L638L586-D634 HydrophobicContact CD1-CB 3.99Å; L586-D634 HydrophobicContact CD2-CB 4.41Å; D630-D634 VanDerWaalsContact O-CG 3.28Å; D630-D634 PolarHBondContact O-N 2.91Å; D630-D634 VanDerWaalsContact O-N 3.15Å; R631-D634 IonicContact NH1-OD2 3.57Å; R631-D634 PolarHBondContact O-N 3.5Å; D634-L638 VanDerWaalsContact O-CG 3.31Å; D634-L638 WeakPolarHBondContact O-CG 3.35Å; D634-L638 PolarHBondContact O-N 2.99Å
635F94.4Very high90.6Very high0 Ų038.1 Ų38.10%019%0.188CC..Hα-helixtrans-72.9-38.9177.9-75.3-52.9000113.6L582 L585 L586 L589 A618 A622 R631 M632 R633 V637 L638 S639L582-F635 HydrophobicContact CB-CE2 4.31Å; L582-F635 HydrophobicContact CD2-CE2 4.12Å; L582-F635 HydrophobicContact CD2-CZ 4.46Å; L585-F635 HydrophobicContact CB-CZ 4.44Å; L585-F635 HydrophobicContact CD2-CD1 4.41Å; L585-F635 HydrophobicContact CD2-CE1 3.52Å; L585-F635 HydrophobicContact CD2-CZ 3.82Å; L586-F635 HydrophobicContact CB-CE1 4.02Å; L586-F635 HydrophobicContact CB-CZ 4.04Å; L586-F635 HydrophobicContact CD1-CD1 3.99Å; L586-F635 HydrophobicContact CD1-CE1 3.73Å; L586-F635 HydrophobicContact CD1-CZ 4.26Å; L589-F635 HydrophobicContact CD1-CD1 3.88Å; L589-F635 HydrophobicContact CD1-CE1 3.84Å; A618-F635 WeakPolarHBondContact O-CB 3.29Å; A622-F635 HydrophobicContact CB-CB 3.59Å; R631-F635 HydrophobicContact CB-CD2 4.49Å; R631-F635 HydrophobicContact CB-CE2 4.4Å; R631-F635 WeakPolarHBondContact O-CD2 3.34Å; R631-F635 PolarHBondContact O-N 3.41Å; M632-F635 PolarHBondContact O-N 2.89Å; R633-F635 VanDerWaalsContact C-N 3.28Å; R633-F635 PolarHBondContact O-N 3.27Å; F635-V637 VanDerWaalsContact C-N 3.33Å; F635-L638 HydrophobicContact CD1-CD1 4.33Å; F635-L638 PolarHBondContact O-N 3.44Å; F635-S639 PolarHBondContact O-N 2.83Å
636F95.6Very high90.8Very high1 Ų138.8 Ų38.80%0.00419%0.193CC..Hα-helixtrans-64.4-38.7173.2-79.9-53.8000111.9W619 A622 L623 M632 R633 S639 Y640 M662 A663W619-F636 HydrophobicContact CD2-CD1 4.5Å; W619-F636 HydrophobicContact CD2-CE1 4Å; W619-F636 AromaticContact CE3-CD1 3.78Å; W619-F636 HydrophobicContact CE3-CD1 3.78Å; W619-F636 AromaticContact CE3-CE1 3.62Å; W619-F636 HydrophobicContact CE3-CE1 3.62Å; W619-F636 AromaticContact CH2-CE1 3.94Å; W619-F636 HydrophobicContact CH2-CE1 3.94Å; W619-F636 HydrophobicContact CZ2-CE1 4.31Å; W619-F636 AromaticContact CZ3-CD1 3.84Å; W619-F636 HydrophobicContact CZ3-CD1 3.84Å; W619-F636 AromaticContact CZ3-CE1 3.6Å; W619-F636 HydrophobicContact CZ3-CE1 3.6Å; A622-F636 HydrophobicContact CB-CD1 3.73Å; A622-F636 HydrophobicContact CB-CD2 3.72Å; A622-F636 HydrophobicContact CB-CE1 3.68Å; A622-F636 HydrophobicContact CB-CE2 3.67Å; A622-F636 HydrophobicContact CB-CG 3.73Å; A622-F636 HydrophobicContact CB-CZ 3.64Å; L623-F636 HydrophobicContact CD2-CZ 4.06Å; M632-F636 HydrophobicContact CG-CD2 3.66Å; M632-F636 HydrophobicContact CG-CE2 3.41Å; M632-F636 VanDerWaalsContact CG-CE2 3.41Å; M632-F636 WeakPolarHBondContact O-CD2 3.46Å; M632-F636 PolarHBondContact O-N 3.06Å; M632-F636 HydrophobicContact SD-CE2 3.96Å; R633-F636 PolarHBondContact O-N 3.48Å; F636-S639 WeakPolarHBondContact O-CB 3.46Å; F636-S639 PolarHBondContact O-N 2.95Å; F636-Y640 PolarHBondContact O-N 2.6Å; F636-M662 HydrophobicContact CD1-CB 4.08Å; F636-M662 HydrophobicContact CD2-CB 3.55Å; F636-M662 HydrophobicContact CE1-CB 4Å; F636-M662 HydrophobicContact CE1-CG 4.26Å; F636-M662 HydrophobicContact CE2-CB 3.45Å; F636-M662 VanDerWaalsContact CE2-CB 3.45Å; F636-M662 HydrophobicContact CE2-CE 4.22Å; F636-M662 HydrophobicContact CE2-CG 4.19Å; F636-M662 HydrophobicContact CG-CB 3.89Å; F636-M662 HydrophobicContact CZ-CB 3.7Å; F636-M662 HydrophobicContact CZ-CE 4.29Å; F636-M662 HydrophobicContact CZ-CG 3.98Å; F636-A663 HydrophobicContact CB-CB 3.97Å
637V94.6Very high91.1Very high24 Ų2435.3 Ų35.315%0.14519%0.185CC..Hα-helixtrans-63.4-43.2173.6173.30000111.1R633 F635 S639 Y640 Q641 A663 H689R633-V637 HydrophobicContact CG-CG2 4.28Å; R633-V637 VanDerWaalsContact O-CG2 3.29Å; R633-V637 WeakPolarHBondContact O-CG2 3.5Å; R633-V637 PolarHBondContact O-N 3.48Å; F635-V637 VanDerWaalsContact C-N 3.33Å; V637-S639 PolarHBondContact O-N 3.03Å; V637-Y640 WeakPolarHBondContact O-CB 3.43Å; V637-Y640 PolarHBondContact O-N 3.34Å; V637-Q641 HydrophobicContact CG1-CG 4.33Å; V637-Q641 WeakPolarHBondContact O-CG 3.39Å; V637-Q641 PolarHBondContact O-N 2.88Å; V637-A663 HydrophobicContact CG2-CB 3.88Å; V637-H689 WeakPolarHBondContact CG2-NE2 3.47Å
638L94.9Very high91.1Very high4 Ų436.7 Ų36.72%0.02119%0.191CC..Hα-helixtrans-63.6-40.5175.2-76.8168.3000112.5L586 L589 K590 L593 A618 D634 F635 Y640 Q641 L642L586-L638 HydrophobicContact CD1-CD1 3.34Å; L589-L638 HydrophobicContact CB-CD1 4.11Å; K590-L638 HydrophobicContact CG-CD1 4.12Å; K590-L638 HydrophobicContact CG-CD2 3.92Å; L593-L638 HydrophobicContact CD2-CD2 3.99Å; A618-L638 HydrophobicContact CB-CB 4.18Å; D634-L638 VanDerWaalsContact O-CG 3.31Å; D634-L638 WeakPolarHBondContact O-CG 3.35Å; D634-L638 PolarHBondContact O-N 2.99Å; F635-L638 HydrophobicContact CD1-CD1 4.33Å; F635-L638 PolarHBondContact O-N 3.44Å; L638-Y640 VanDerWaalsContact C-N 3.31Å; L638-Y640 PolarHBondContact O-N 3.13Å; L638-Q641 PolarHBondContact O-N 3.21Å; L638-L642 WeakPolarHBondContact O-CB 3.46Å; L638-L642 WeakPolarHBondContact O-CD1 3.24Å; L638-L642 WeakPolarHBondContact O-CG 3.44Å; L638-L642 PolarHBondContact O-N 2.85Å
639S95.8Very high91.2Very high0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-57.1-46.8172172.60000110.6R615 F635 F636 V637 S643 S659R615-S639 WeakPolarHBondContact CG-O 3.2Å; F635-S639 PolarHBondContact O-N 2.83Å; F636-S639 WeakPolarHBondContact O-CB 3.46Å; F636-S639 PolarHBondContact O-N 2.95Å; V637-S639 PolarHBondContact O-N 3.03Å; S639-S643 WeakPolarHBondContact O-CB 3.34Å; S639-S643 PolarHBondContact O-N 3.35Å; S639-S659 PolarHBondContact OG-OG 3.3Å
640Y95.3Very high91.1Very high44 Ų4444 Ų4417%0.17323%0.225CC..Hα-helixtrans-60.3-51.7175.2169.8-107.8000112.1F636 V637 L638 L642 S643 L644 Q656 L660 V696F636-Y640 PolarHBondContact O-N 2.6Å; V637-Y640 WeakPolarHBondContact O-CB 3.43Å; V637-Y640 PolarHBondContact O-N 3.34Å; L638-Y640 VanDerWaalsContact C-N 3.31Å; L638-Y640 PolarHBondContact O-N 3.13Å; Y640-L642 PolarHBondContact O-N 3.24Å; Y640-S643 WeakPolarHBondContact O-CB 3.49Å; Y640-S643 PolarHBondContact O-N 3.06Å; Y640-S643 VanDerWaalsContact O-N 3.07Å; Y640-S643 PolarHBondContact O-OG 3Å; Y640-L644 HydrophobicContact CE1-CD1 3.96Å; Y640-L644 HydrophobicContact CE2-CD2 3.99Å; Y640-L644 HydrophobicContact CE2-CG 4.39Å; Y640-L644 PolarHBondContact O-N 2.97Å; Y640-Q656 HydrophobicContact CD2-CB 4Å; Y640-Q656 HydrophobicContact CD2-CG 3.89Å; Y640-Q656 HydrophobicContact CE2-CB 4.2Å; Y640-Q656 HydrophobicContact CE2-CG 4.12Å; Y640-L660 HydrophobicContact CD1-CD2 3.74Å; Y640-L660 HydrophobicContact CD1-CG 4.32Å; Y640-L660 HydrophobicContact CD2-CD1 3.67Å; Y640-L660 HydrophobicContact CD2-CD2 4.03Å; Y640-L660 HydrophobicContact CD2-CG 3.66Å; Y640-L660 HydrophobicContact CE1-CD1 4.43Å; Y640-L660 HydrophobicContact CE1-CD2 4Å; Y640-L660 HydrophobicContact CE2-CD1 3.46Å; Y640-L660 VanDerWaalsContact CE2-CD1 3.46Å; Y640-L660 HydrophobicContact CE2-CD2 4.31Å; Y640-L660 HydrophobicContact CE2-CG 3.98Å; Y640-L660 HydrophobicContact CG-CD1 4.26Å; Y640-L660 HydrophobicContact CG-CD2 3.75Å; Y640-L660 HydrophobicContact CG-CG 3.85Å; Y640-V696 HydrophobicContact CE2-CG2 4.28Å
641Q94.7Very high91.1Very high75 Ų7545.5 Ų45.535%0.3524%0.243SC..Hα-helixtrans-60.3-43-178.2-71.7174.4-20.900112.9L593 V637 L638 S643 L644L593-Q641 HydrophobicContact CD1-CB 4.12Å; L593-Q641 HydrophobicContact CD2-CB 3.81Å; L593-Q641 HydrophobicContact CD2-CG 4.47Å; V637-Q641 HydrophobicContact CG1-CG 4.33Å; V637-Q641 WeakPolarHBondContact O-CG 3.39Å; V637-Q641 PolarHBondContact O-N 2.88Å; L638-Q641 PolarHBondContact O-N 3.21Å; Q641-S643 VanDerWaalsContact C-N 3.3Å; Q641-S643 PolarHBondContact O-N 3.32Å; Q641-L644 WeakPolarHBondContact O-CB 3.3Å; Q641-L644 PolarHBondContact O-N 3.13Å
642L93.6Very high91.1Very high0 Ų043.5 Ų43.50%024%0.236CC..Hα-helixtrans-66.3-33.1176.1-73.7163.5000112.1L593 I596 F614 R615 L638 Y640 L644 L645L593-L642 HydrophobicContact CB-CD2 4.01Å; L593-L642 HydrophobicContact CB-CG 4.47Å; L593-L642 HydrophobicContact CD1-CD2 3.74Å; L593-L642 HydrophobicContact CD1-CG 4.01Å; L593-L642 HydrophobicContact CG-CD2 4.5Å; I596-L642 HydrophobicContact CD1-CD2 4.17Å; F614-L642 HydrophobicContact CB-CD1 3.65Å; F614-L642 HydrophobicContact CB-CD2 4.25Å; R615-L642 HydrophobicContact CB-CB 3.97Å; L638-L642 WeakPolarHBondContact O-CB 3.46Å; L638-L642 WeakPolarHBondContact O-CD1 3.24Å; L638-L642 WeakPolarHBondContact O-CG 3.44Å; L638-L642 PolarHBondContact O-N 2.85Å; Y640-L642 PolarHBondContact O-N 3.24Å; L642-L644 PolarHBondContact O-N 3.49Å; L642-L645 WeakPolarHBondContact O-CB 3.4Å; L642-L645 PolarHBondContact O-N 3.21Å
643S92.9Very high90.9Very high2 Ų243.4 Ų43.41%0.01424%0.236CC..Hα-helixtrans-65.9-26.9176.480.90000113.1R615 S639 Y640 Q641 L645 C646 Q656R615-S643 VanDerWaalsContact CD-CB 3.5Å; S639-S643 WeakPolarHBondContact O-CB 3.34Å; S639-S643 PolarHBondContact O-N 3.35Å; Y640-S643 WeakPolarHBondContact O-CB 3.49Å; Y640-S643 PolarHBondContact O-N 3.06Å; Y640-S643 VanDerWaalsContact O-N 3.07Å; Y640-S643 PolarHBondContact O-OG 3Å; Q641-S643 VanDerWaalsContact C-N 3.3Å; Q641-S643 PolarHBondContact O-N 3.32Å; S643-L645 PolarHBondContact O-N 3.36Å; S643-C646 WeakPolarHBondContact O-CB 3.39Å; S643-C646 PolarHBondContact O-N 2.93Å; S643-C646 VanDerWaalsContact O-N 3.12Å; S643-Q656 WeakPolarHBondContact OG-CG 3.38Å; S643-Q656 PolarHBondContact OG-NE2 3.43Å
644L91.4Very high90.7Very high95 Ų9543.8 Ų43.850%0.49724%0.24SC..THydrogen-bonded Turntrans-65.7-18.4176-62172.9000112.6Y640 Q641 L642Y640-L644 HydrophobicContact CE1-CD1 3.96Å; Y640-L644 HydrophobicContact CE2-CD2 3.99Å; Y640-L644 HydrophobicContact CE2-CG 4.39Å; Y640-L644 PolarHBondContact O-N 2.97Å; Q641-L644 WeakPolarHBondContact O-CB 3.3Å; Q641-L644 PolarHBondContact O-N 3.13Å; L642-L644 PolarHBondContact O-N 3.49Å
645L90.3Very high90.5Very high49 Ų4943.2 Ų43.226%0.25724%0.242SC..THydrogen-bonded Turntrans-90.3-1.8178.3-53.7176.6000112.9L593 I596 A611 L642 S643L593-L645 HydrophobicContact CD1-CD1 3.88Å; I596-L645 HydrophobicContact CB-CD1 4Å; I596-L645 HydrophobicContact CG2-CB 4.45Å; I596-L645 HydrophobicContact CG2-CD1 3.57Å; A611-L645 HydrophobicContact CB-CB 3.9Å; L642-L645 WeakPolarHBondContact O-CB 3.4Å; L642-L645 PolarHBondContact O-N 3.21Å; S643-L645 PolarHBondContact O-N 3.36Å
646C88.4Confident90.4Very high15 Ų1543.9 Ų43.910%0.10125%0.245CC..SBendtrans-98.8152.4177.6-60.20000110.3S643 L652S643-C646 WeakPolarHBondContact O-CB 3.39Å; S643-C646 PolarHBondContact O-N 2.93Å; S643-C646 VanDerWaalsContact O-N 3.12Å; C646-L652 HydrophobicContact CB-CD1 4.27Å; C646-L652 HydrophobicContact CB-CD2 3.54Å
647P85.4Confident90.2Very high90 Ų9044 Ų4458%0.58425%0.245SC*.  trans-60.1133.8174.625.1-33.1000110.1A608 D649 L652A608-P647 VanDerWaalsContact CB-CD 3.48Å; A608-P647 HydrophobicContact CB-CG 4.43Å; P647-D649 PolarHBondContact O-N 3.37Å; P647-D649 VanDerWaalsContact O-N 3.15Å; P647-L652 VanDerWaalsContact O-CD2 3.32Å; P647-L652 WeakPolarHBondContact O-CD2 3.46Å
648P81.6Confident90Very high112 Ų11245.2 Ų45.273%0.72725%0.252SS*.  trans-69.1115.4-176.327.4-33.4000110
649D86.6Confident90Very high89 Ų8945 Ų4548%0.47625%0.252SS..  trans-121.5165.3164.976.818.5000109.9P647 A651 L652 L653P647-D649 PolarHBondContact O-N 3.37Å; P647-D649 VanDerWaalsContact O-N 3.15Å; D649-A651 PolarHBondContact O-N 2.85Å; D649-A651 PolarHBondContact OD1-N 3.12Å; D649-L652 PolarHBondContact O-N 2.88Å; D649-L652 WeakPolarHBondContact OD1-CA 3.19Å; D649-L652 WeakPolarHBondContact OD1-CB 3.35Å; D649-L652 PolarHBondContact OD1-N 3.29Å; D649-L653 WeakPolarHBondContact O-CG 3.48Å; D649-L653 PolarHBondContact O-N 3.01Å
650R84.7Confident89.9Confident128 Ų12845.1 Ų45.148%0.48325%0.252SS..Hα-helixtrans-61.6-33.5-177.9-171.5176.3177.3172.33.5112.3M654 L700 N705R650-M654 WeakPolarHBondContact O-CB 3.45Å; R650-M654 WeakPolarHBondContact O-CG 3.36Å; R650-M654 PolarHBondContact O-N 3Å; R650-L700 HydrophobicContact CG-CD2 4.27Å; R650-N705 PolarHBondContact NH2-O 2.93Å
651A86.5Confident89.8Confident74 Ų7443.7 Ų43.761%0.61225%0.248SC*.Hα-helixtrans-71.7-38.2-17900000111.9D649 M654 G655D649-A651 PolarHBondContact O-N 2.85Å; D649-A651 PolarHBondContact OD1-N 3.12Å; A651-M654 PolarHBondContact O-N 3.1Å; A651-G655 PolarHBondContact O-N 3.24Å
652L88.8Confident89.8Confident14 Ų1443.3 Ų43.37%0.07325%0.246CC..Hα-helixtrans-71.1-43.7177.5-174.174.9000110.9C646 P647 D649 M654 G655 Q656C646-L652 HydrophobicContact CB-CD1 4.27Å; C646-L652 HydrophobicContact CB-CD2 3.54Å; P647-L652 VanDerWaalsContact O-CD2 3.32Å; P647-L652 WeakPolarHBondContact O-CD2 3.46Å; D649-L652 PolarHBondContact O-N 2.88Å; D649-L652 WeakPolarHBondContact OD1-CA 3.19Å; D649-L652 WeakPolarHBondContact OD1-CB 3.35Å; D649-L652 PolarHBondContact OD1-N 3.29Å; L652-M654 VanDerWaalsContact C-N 3.29Å; L652-M654 PolarHBondContact O-N 3.47Å; L652-G655 CarbonylContact O-C 3.51Å; L652-G655 WeakPolarHBondContact O-CA 3.2Å; L652-G655 PolarHBondContact O-N 2.81Å; L652-Q656 WeakPolarHBondContact O-CG 3.45Å; L652-Q656 PolarHBondContact O-N 2.86Å
653L88.3Confident89.8Confident23 Ų2343.3 Ų43.312%0.1225%0.246CC..Hα-helixtrans-60.7-39.5173.2-71.8174.9000111.3D649 G655 Q656 R657 V696 L700D649-L653 WeakPolarHBondContact O-CG 3.48Å; D649-L653 PolarHBondContact O-N 3.01Å; L653-G655 VanDerWaalsContact C-N 3.35Å; L653-Q656 WeakPolarHBondContact O-CB 3.27Å; L653-Q656 PolarHBondContact O-N 3Å; L653-R657 WeakPolarHBondContact O-CB 3.38Å; L653-R657 PolarHBondContact O-N 2.86Å; L653-V696 HydrophobicContact CD2-CG1 4.41Å; L653-V696 WeakPolarHBondContact O-CG1 3.41Å; L653-L700 HydrophobicContact CB-CD1 4.22Å; L653-L700 HydrophobicContact CB-CD2 3.44Å; L653-L700 VanDerWaalsContact CB-CD2 3.44Å; L653-L700 HydrophobicContact CB-CG 3.76Å; L653-L700 HydrophobicContact CD1-CD2 3.96Å; L653-L700 HydrophobicContact CD1-CG 4.3Å; L653-L700 HydrophobicContact CG-CD2 4.36Å
654M87.8Confident89.9Confident51 Ų5143.2 Ų43.225%0.25125%0.246SC..Hα-helixtrans-62.5-42.5170.9-72.7-70.3-70.100111.5R650 A651 L652 Q656 R657 T658 L700 L706R650-M654 WeakPolarHBondContact O-CB 3.45Å; R650-M654 WeakPolarHBondContact O-CG 3.36Å; R650-M654 PolarHBondContact O-N 3Å; A651-M654 PolarHBondContact O-N 3.1Å; L652-M654 VanDerWaalsContact C-N 3.29Å; L652-M654 PolarHBondContact O-N 3.47Å; M654-Q656 PolarHBondContact O-N 2.98Å; M654-R657 WeakPolarHBondContact O-CB 3.26Å; M654-R657 PolarHBondContact O-N 3.49Å; M654-T658 PolarHBondContact O-N 2.88Å; M654-T658 PolarHBondContact O-OG1 2.93Å; M654-T658 VanDerWaalsContact O-OG1 3.05Å; M654-L700 HydrophobicContact CG-CD2 4.29Å; M654-L700 HydrophobicContact SD-CD1 4.02Å; M654-L700 HydrophobicContact SD-CD2 4.43Å; M654-L706 HydrophobicContact SD-CD2 4.16Å
655G88.3Confident89.9Confident18 Ų1839.8 Ų39.819%0.18623%0.231CC..Hα-helixtrans-62.9-3617400000113.9A651 L652 L653 S659A651-G655 PolarHBondContact O-N 3.24Å; L652-G655 CarbonylContact O-C 3.51Å; L652-G655 WeakPolarHBondContact O-CA 3.2Å; L652-G655 PolarHBondContact O-N 2.81Å; L653-G655 VanDerWaalsContact C-N 3.35Å; G655-S659 VanDerWaalsContact O-CB 3.31Å; G655-S659 WeakPolarHBondContact O-CB 3.33Å; G655-S659 PolarHBondContact O-N 3.3Å; G655-S659 PolarHBondContact O-OG 2.87Å
656Q92.2Very high90Very high14 Ų1437.6 Ų37.67%0.06522%0.22CC..Hα-helixtrans-63.6-50.1172.9-78.9175.13.400111Y640 S643 L652 L653 M654 T658 S659 L660 V696Y640-Q656 HydrophobicContact CD2-CB 4Å; Y640-Q656 HydrophobicContact CD2-CG 3.89Å; Y640-Q656 HydrophobicContact CE2-CB 4.2Å; Y640-Q656 HydrophobicContact CE2-CG 4.12Å; S643-Q656 WeakPolarHBondContact OG-CG 3.38Å; S643-Q656 PolarHBondContact OG-NE2 3.43Å; L652-Q656 WeakPolarHBondContact O-CG 3.45Å; L652-Q656 PolarHBondContact O-N 2.86Å; L653-Q656 WeakPolarHBondContact O-CB 3.27Å; L653-Q656 PolarHBondContact O-N 3Å; M654-Q656 PolarHBondContact O-N 2.98Å; Q656-T658 VanDerWaalsContact C-N 3.34Å; Q656-T658 PolarHBondContact O-N 3.47Å; Q656-S659 PolarHBondContact O-N 3.35Å; Q656-L660 WeakPolarHBondContact O-CG 3.4Å; Q656-L660 PolarHBondContact O-N 3.26Å; Q656-V696 HydrophobicContact CB-CG1 3.98Å; Q656-V696 HydrophobicContact CB-CG2 4.24Å
657R91.6Very high90.1Very high4 Ų436.9 Ų36.92%0.01522%0.215CC..Hα-helixtrans-55.2-50.1176.9-173.2-179.368.4146.112.6110.8L653 M654 L660 L661 C693 V696 C697 L700 D709 T711L653-R657 WeakPolarHBondContact O-CB 3.38Å; L653-R657 PolarHBondContact O-N 2.86Å; M654-R657 WeakPolarHBondContact O-CB 3.26Å; M654-R657 PolarHBondContact O-N 3.49Å; R657-L660 PolarHBondContact O-N 3.38Å; R657-L661 WeakPolarHBondContact O-CB 3.29Å; R657-L661 PolarHBondContact O-N 3.36Å; R657-C693 PolarHBondContact O-SG 3.39Å; R657-C693 VanDerWaalsContact O-SG 3.35Å; R657-V696 HydrophobicContact CB-CG1 4.07Å; R657-C697 WeakPolarHBondContact CD-SG 3.37Å; R657-L700 HydrophobicContact CB-CD1 4.27Å; R657-D709 IonicContact CZ-OD1 3.68Å; R657-D709 IonicContact CZ-OD2 3.25Å; R657-D709 VanDerWaalsContact CZ-OD2 3.28Å; R657-D709 IonicContact NH1-OD1 3.91Å; R657-D709 PolarHBondContact NH1-OD1 2.92Å; R657-D709 IonicContact NH1-OD2 2.6Å; R657-D709 PolarHBondContact NH1-OD2 3.35Å; R657-D709 IonicContact NH2-OD1 2.76Å; R657-D709 IonicContact NH2-OD2 2.85Å; R657-D709 PolarHBondContact NH2-OD2 2.84Å; R657-T711 HydrophobicContact CG-CG2 4.2Å
658T91.5Very high90.3Very high48 Ų4832.7 Ų32.729%0.29419%0.188SC..Hα-helixtrans-68.3-37.6179.2-45.60000112.1W619 M654 Q656 L660 L661 M662W619-T658 HydrophobicContact CH2-CG2 3.63Å; W619-T658 HydrophobicContact CZ3-CG2 4.36Å; M654-T658 PolarHBondContact O-N 2.88Å; M654-T658 PolarHBondContact O-OG1 2.93Å; M654-T658 VanDerWaalsContact O-OG1 3.05Å; Q656-T658 VanDerWaalsContact C-N 3.34Å; Q656-T658 PolarHBondContact O-N 3.47Å; T658-L660 PolarHBondContact O-N 3.32Å; T658-L661 PolarHBondContact O-N 2.67Å; T658-M662 HydrophobicContact CG2-CG 4.32Å; T658-M662 WeakPolarHBondContact O-CB 3.34Å; T658-M662 VanDerWaalsContact O-CG 3.25Å; T658-M662 WeakPolarHBondContact O-CG 3.45Å; T658-M662 PolarHBondContact O-N 3.01Å
659S93.9Very high90.7Very high1 Ų130.6 Ų30.61%0.00717%0.168CC..Hα-helixtrans-61.2-45.1176.8-60.10000111.5W619 S639 G655 Q656 M662 A663W619-S659 WeakPolarHBondContact CZ3-OG 3.23Å; S639-S659 PolarHBondContact OG-OG 3.3Å; G655-S659 VanDerWaalsContact O-CB 3.31Å; G655-S659 WeakPolarHBondContact O-CB 3.33Å; G655-S659 PolarHBondContact O-N 3.3Å; G655-S659 PolarHBondContact O-OG 2.87Å; Q656-S659 PolarHBondContact O-N 3.35Å; S659-M662 PolarHBondContact O-N 2.75Å; S659-A663 WeakPolarHBondContact O-CB 3.49Å; S659-A663 PolarHBondContact O-N 3.08Å
660L94.8Very high90.7Very high2 Ų227.8 Ų27.81%0.0115%0.153CC..Hα-helixtrans-69.5-39.8178.6-72.5169.7000112.6Y640 Q656 R657 T658 M662 A663 A664 H689 A692 C693 V696Y640-L660 HydrophobicContact CD1-CD2 3.74Å; Y640-L660 HydrophobicContact CD1-CG 4.32Å; Y640-L660 HydrophobicContact CD2-CD1 3.67Å; Y640-L660 HydrophobicContact CD2-CD2 4.03Å; Y640-L660 HydrophobicContact CD2-CG 3.66Å; Y640-L660 HydrophobicContact CE1-CD1 4.43Å; Y640-L660 HydrophobicContact CE1-CD2 4Å; Y640-L660 HydrophobicContact CE2-CD1 3.46Å; Y640-L660 VanDerWaalsContact CE2-CD1 3.46Å; Y640-L660 HydrophobicContact CE2-CD2 4.31Å; Y640-L660 HydrophobicContact CE2-CG 3.98Å; Y640-L660 HydrophobicContact CG-CD1 4.26Å; Y640-L660 HydrophobicContact CG-CD2 3.75Å; Y640-L660 HydrophobicContact CG-CG 3.85Å; Q656-L660 WeakPolarHBondContact O-CG 3.4Å; Q656-L660 PolarHBondContact O-N 3.26Å; R657-L660 PolarHBondContact O-N 3.38Å; T658-L660 PolarHBondContact O-N 3.32Å; L660-M662 VanDerWaalsContact C-N 3.34Å; L660-M662 PolarHBondContact O-N 3.38Å; L660-A663 PolarHBondContact O-N 3.33Å; L660-A664 WeakPolarHBondContact O-CB 3.25Å; L660-A664 PolarHBondContact O-N 2.96Å; L660-H689 HydrophobicContact CD2-CB 4.5Å; L660-A692 HydrophobicContact CD1-CB 3.85Å; L660-A692 HydrophobicContact CD2-CB 4.08Å; L660-C693 HydrophobicContact CB-CB 3.8Å; L660-C693 HydrophobicContact CD1-CB 4.21Å; L660-V696 HydrophobicContact CD1-CG2 4.06Å
661L93.4Very high90.7Very high14 Ų1421.7 Ų21.77%0.07313%0.13CC..Hα-helixtrans-58.1-47.5174-177.772.5000111.1R657 T658 A664 A665 T711 L714 L715 Y718R657-L661 WeakPolarHBondContact O-CB 3.29Å; R657-L661 PolarHBondContact O-N 3.36Å; T658-L661 PolarHBondContact O-N 2.67Å; L661-A664 PolarHBondContact O-N 3.34Å; L661-A665 PolarHBondContact O-N 2.88Å; L661-T711 HydrophobicContact CD1-CG2 4.46Å; L661-T711 HydrophobicContact CD2-CG2 4.1Å; L661-L714 HydrophobicContact CD1-CB 4.29Å; L661-L715 HydrophobicContact CD1-CD2 3.57Å; L661-L715 HydrophobicContact CD1-CG 3.82Å; L661-Y718 HydrophobicContact CD1-CD2 3.92Å; L661-Y718 HydrophobicContact CD1-CE2 3.56Å; L661-Y718 HydrophobicContact CG-CE2 4.16Å
662M94.1Very high90.6Very high66 Ų6624.5 Ų24.533%0.32513%0.125SC..Hα-helixtrans-68.8-37.2179-65.3-57.5-63.900112.2F636 T658 S659 L660 A665 A666F636-M662 HydrophobicContact CD1-CB 4.08Å; F636-M662 HydrophobicContact CD2-CB 3.55Å; F636-M662 HydrophobicContact CE1-CB 4Å; F636-M662 HydrophobicContact CE1-CG 4.26Å; F636-M662 HydrophobicContact CE2-CB 3.45Å; F636-M662 VanDerWaalsContact CE2-CB 3.45Å; F636-M662 HydrophobicContact CE2-CE 4.22Å; F636-M662 HydrophobicContact CE2-CG 4.19Å; F636-M662 HydrophobicContact CG-CB 3.89Å; F636-M662 HydrophobicContact CZ-CB 3.7Å; F636-M662 HydrophobicContact CZ-CE 4.29Å; F636-M662 HydrophobicContact CZ-CG 3.98Å; T658-M662 HydrophobicContact CG2-CG 4.32Å; T658-M662 WeakPolarHBondContact O-CB 3.34Å; T658-M662 VanDerWaalsContact O-CG 3.25Å; T658-M662 WeakPolarHBondContact O-CG 3.45Å; T658-M662 PolarHBondContact O-N 3.01Å; S659-M662 PolarHBondContact O-N 2.75Å; L660-M662 VanDerWaalsContact C-N 3.34Å; L660-M662 PolarHBondContact O-N 3.38Å; M662-A665 PolarHBondContact O-N 3.35Å; M662-A666 WeakPolarHBondContact O-CB 3.4Å; M662-A666 PolarHBondContact O-N 3.24Å
663A93.8Very high90.3Very high0 Ų030.1 Ų30.10%015%0.149CC..Hα-helixtrans-63.2-40.7173.500000112.1F636 V637 S659 L660 S667F636-A663 HydrophobicContact CB-CB 3.97Å; V637-A663 HydrophobicContact CG2-CB 3.88Å; S659-A663 WeakPolarHBondContact O-CB 3.49Å; S659-A663 PolarHBondContact O-N 3.08Å; L660-A663 PolarHBondContact O-N 3.33Å; A663-S667 WeakPolarHBondContact O-CB 3.07Å; A663-S667 PolarHBondContact O-N 3.12Å; A663-S667 PolarHBondContact O-OG 3.48Å
664A93.9Very high89.7Confident0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-63.7-46.7174.400000111.3L660 L661 A666 S667 L668 H689 I690 Y718L660-A664 WeakPolarHBondContact O-CB 3.25Å; L660-A664 PolarHBondContact O-N 2.96Å; L661-A664 PolarHBondContact O-N 3.34Å; A664-A666 PolarHBondContact O-N 3.29Å; A664-S667 WeakPolarHBondContact O-CB 3.35Å; A664-S667 PolarHBondContact O-N 3.38Å; A664-L668 WeakPolarHBondContact O-CG 3.46Å; A664-L668 PolarHBondContact O-N 2.96Å; A664-H689 HydrophobicContact CB-CB 4.14Å; A664-I690 HydrophobicContact CB-CD1 4.43Å; A664-I690 HydrophobicContact CB-CG1 3.72Å; A664-Y718 HydrophobicContact CB-CD2 4.29Å
665A92.3Very high88.9Confident23 Ų2331.8 Ų31.819%0.1917%0.165CC..Hα-helixtrans-58.7-47.6176.600000112.2L661 M662 S667 L668 E669 Y718L661-A665 PolarHBondContact O-N 2.88Å; M662-A665 PolarHBondContact O-N 3.35Å; A665-S667 VanDerWaalsContact C-N 3.31Å; A665-S667 PolarHBondContact O-N 2.83Å; A665-L668 PolarHBondContact O-N 3.32Å; A665-E669 PolarHBondContact O-N 2.66Å; A665-Y718 HydrophobicContact CB-CE2 3.83Å
666A91.6Very high88.1Confident3 Ų337.2 Ų37.23%0.02519%0.186CC..Hα-helixtrans-63.3-36.4177.200000112.3M632 R633 M662 A664 E669 L670M632-A666 HydrophobicContact CB-CB 4.3Å; M632-A666 HydrophobicContact CG-CB 4.2Å; M632-A666 HydrophobicContact SD-CB 4.22Å; R633-A666 HydrophobicContact CB-CB 4.01Å; M662-A666 WeakPolarHBondContact O-CB 3.4Å; M662-A666 PolarHBondContact O-N 3.24Å; A664-A666 PolarHBondContact O-N 3.29Å; A666-E669 PolarHBondContact O-N 2.92Å; A666-L670 WeakPolarHBondContact O-CB 3.28Å; A666-L670 PolarHBondContact O-N 3.06Å
667S90.9Very high86.8Confident0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-66.4-40.9175.6-55.50000112R633 A663 A664 A665 L670 C671R633-S667 WeakPolarHBondContact CD-OG 3.35Å; R633-S667 WeakPolarHBondContact CG-OG 3.49Å; A663-S667 WeakPolarHBondContact O-CB 3.07Å; A663-S667 PolarHBondContact O-N 3.12Å; A663-S667 PolarHBondContact O-OG 3.48Å; A664-S667 WeakPolarHBondContact O-CB 3.35Å; A664-S667 PolarHBondContact O-N 3.38Å; A665-S667 VanDerWaalsContact C-N 3.31Å; A665-S667 PolarHBondContact O-N 2.83Å; S667-L670 PolarHBondContact O-N 3.38Å; S667-C671 PolarHBondContact O-N 3.44Å
668L90.4Very high85.5Confident2 Ų244.2 Ų44.21%0.0123%0.234CC..Hα-helixtrans-67.1-40.8174.7-70.7175.3000112A664 A665 L670 C671 R672 L683 A686 Y718 E721 A722A664-L668 WeakPolarHBondContact O-CG 3.46Å; A664-L668 PolarHBondContact O-N 2.96Å; A665-L668 PolarHBondContact O-N 3.32Å; L668-L670 VanDerWaalsContact C-N 3.33Å; L668-L670 PolarHBondContact O-N 3.01Å; L668-C671 WeakPolarHBondContact O-CB 3.46Å; L668-C671 PolarHBondContact O-N 2.97Å; L668-R672 WeakPolarHBondContact O-CG 3.24Å; L668-R672 PolarHBondContact O-N 3.28Å; L668-L683 HydrophobicContact CD2-CD2 3.9Å; L668-A686 HydrophobicContact CD2-CB 4.1Å; L668-A686 HydrophobicContact CG-CB 4.26Å; L668-Y718 HydrophobicContact CD1-CD1 3.73Å; L668-Y718 HydrophobicContact CD1-CG 3.71Å; L668-E721 HydrophobicContact CD2-CG 4.24Å; L668-A722 HydrophobicContact CD2-CB 4.19Å
669E89Confident84.9Confident68 Ų6842.9 Ų42.932%0.31823%0.225SC..Hα-helixtrans-62.9-40.8175.1-171-179.3168.300111.9P629 A665 A666 C671 R672 K673P629-E669 HydrophobicContact CB-CB 4.45Å; A665-E669 PolarHBondContact O-N 2.66Å; A666-E669 PolarHBondContact O-N 2.92Å; E669-C671 VanDerWaalsContact C-N 3.34Å; E669-R672 PolarHBondContact O-N 2.92Å; E669-K673 PolarHBondContact O-N 3.3Å; E669-K673 WeakPolarHBondContact OE1-CE 3.41Å; E669-K673 IonicContact OE1-NZ 3.84Å; E669-K673 PolarHBondContact OE1-NZ 2.85Å
670L86.3Confident84.3Confident30 Ų3045.4 Ų45.416%0.15725%0.246CC..Hα-helixtrans-58.4-47.9172.9-174.767.5000110.5P629 D630 A666 S667 L668 R672 K673 S674P629-L670 HydrophobicContact CB-CB 4.35Å; P629-L670 HydrophobicContact CG-CB 4.4Å; P629-L670 HydrophobicContact CG-CD1 4.12Å; D630-L670 HydrophobicContact CB-CD1 4.39Å; A666-L670 WeakPolarHBondContact O-CB 3.28Å; A666-L670 PolarHBondContact O-N 3.06Å; S667-L670 PolarHBondContact O-N 3.38Å; L668-L670 VanDerWaalsContact C-N 3.33Å; L668-L670 PolarHBondContact O-N 3.01Å; L670-R672 VanDerWaalsContact C-N 3.29Å; L670-R672 PolarHBondContact O-N 2.96Å; L670-K673 CarbonylContact O-C 3.47Å; L670-K673 PolarHBondContact O-N 3.31Å; L670-S674 WeakPolarHBondContact O-CB 3.24Å; L670-S674 PolarHBondContact O-N 3.12Å; L670-S674 PolarHBondContact O-OG 2.93Å
671C85.3Confident83.7Confident1 Ų152.4 Ų52.41%0.00728%0.279CS..Hα-helixtrans-56.4-40.5176.3178.90000112.7S667 L668 E669 K673 S674 Q679 D682 L683S667-C671 PolarHBondContact O-N 3.44Å; L668-C671 WeakPolarHBondContact O-CB 3.46Å; L668-C671 PolarHBondContact O-N 2.97Å; E669-C671 VanDerWaalsContact C-N 3.34Å; C671-K673 PolarHBondContact O-N 3.3Å; C671-S674 PolarHBondContact O-N 2.93Å; C671-Q679 PolarHBondContact O-NE2 2.93Å; C671-Q679 VanDerWaalsContact O-NE2 3.12Å; C671-Q679 VanDerWaalsContact SG-CG 3.6Å; C671-D682 HydrophobicContact CB-CB 4.3Å; C671-L683 HydrophobicContact CB-CD2 4.2Å; C671-L683 HydrophobicContact CB-CG 4.34Å; C671-L683 VanDerWaalsContact SG-CG 3.52Å
672R85.6Confident83.3Confident133 Ų13353 Ų5350%0.50228%0.281SS..Hα-helixtrans-64.4-27.3178.3-68.2171.7-167.5164.40.5112.7L668 E669 L670 E721L668-R672 WeakPolarHBondContact O-CG 3.24Å; L668-R672 PolarHBondContact O-N 3.28Å; E669-R672 PolarHBondContact O-N 2.92Å; L670-R672 VanDerWaalsContact C-N 3.29Å; L670-R672 PolarHBondContact O-N 2.96Å; R672-E721 IonicContact CZ-OE1 2.61Å; R672-E721 IonicContact CZ-OE2 3.43Å; R672-E721 IonicContact NE-OE1 2.82Å; R672-E721 PolarHBondContact NE-OE1 2.89Å; R672-E721 IonicContact NE-OE2 2.69Å; R672-E721 IonicContact NH2-OE1 2.77Å; R672-E721 PolarHBondContact NH2-OE1 3.11Å; R672-E721 IonicContact NH2-OE2 3.62Å; R672-E721 PolarHBondContact NH2-OE2 3.44Å
673K80.5Confident83Confident131 Ų13149.9 Ų49.957%0.5727%0.266SS*.Hα-helixtrans-93.7-20.1178-63.6177.9-172.1168.80113E669 L670 C671E669-K673 PolarHBondContact O-N 3.3Å; E669-K673 WeakPolarHBondContact OE1-CE 3.41Å; E669-K673 IonicContact OE1-NZ 3.84Å; E669-K673 PolarHBondContact OE1-NZ 2.85Å; L670-K673 CarbonylContact O-C 3.47Å; L670-K673 PolarHBondContact O-N 3.31Å; C671-K673 PolarHBondContact O-N 3.3Å
674S75.9Confident82.7Confident22 Ų2253 Ų5315%0.15429%0.286CS..SBendtrans-75.8147.4-178.2-72.40000113.1L670 C671 Q679 D682L670-S674 WeakPolarHBondContact O-CB 3.24Å; L670-S674 PolarHBondContact O-N 3.12Å; L670-S674 PolarHBondContact O-OG 2.93Å; C671-S674 PolarHBondContact O-N 2.93Å; S674-Q679 PolarHBondContact O-NE2 3.04Å; S674-D682 PolarHBondContact OG-OD2 3.38Å
675P72.4Confident82.4Confident87 Ų8755.2 Ų55.257%0.56530%0.299SS*.  trans-64.9149.4171.127.4-32.8000111.5S677 T678P675-S677 PolarHBondContact O-N 3.42Å; P675-T678 PolarHBondContact O-N 3.5Å; P675-T678 PolarHBondContact O-OG1 3.19Å
676H70.1Confident82.4Confident133 Ų13354.1 Ų54.162%0.61629%0.29SS*.THydrogen-bonded Turntrans-53.2-25.6-173.3-70.2-53.5000115.6T678 Q679H676-T678 PolarHBondContact O-N 2.9Å; H676-Q679 PolarHBondContact ND1-OE1 2.89Å
677S64.8Low82.4Confident107 Ų10754.7 Ų54.775%0.74829%0.292SS*.THydrogen-bonded Turntrans-69.8-26.1179.454.80000114.7P675P675-S677 PolarHBondContact O-N 3.42Å
678T66.1Low82.5Confident57 Ų5760.1 Ų60.135%0.3532%0.318SS..THydrogen-bonded Turntrans-106.4-7.5-178.257.70000113.1P675 H676 A680 E681P675-T678 PolarHBondContact O-N 3.5Å; P675-T678 PolarHBondContact O-OG1 3.19Å; H676-T678 PolarHBondContact O-N 2.9Å; T678-A680 VanDerWaalsContact C-N 3.28Å; T678-A680 PolarHBondContact O-N 2.65Å; T678-E681 PolarHBondContact O-N 3.3Å
679Q78.8Confident82.6Confident20 Ų2061.2 Ų61.29%0.09332%0.323CS..Hα-helixtrans-60.2-34.7-178.1-74.5-178-12.800113C671 S674 H676 E681 D682 L683C671-Q679 PolarHBondContact O-NE2 2.93Å; C671-Q679 VanDerWaalsContact O-NE2 3.12Å; C671-Q679 VanDerWaalsContact SG-CG 3.6Å; S674-Q679 PolarHBondContact O-NE2 3.04Å; H676-Q679 PolarHBondContact ND1-OE1 2.89Å; Q679-E681 PolarHBondContact O-N 3.16Å; Q679-D682 PolarHBondContact O-N 2.85Å; Q679-L683 HydrophobicContact CB-CD1 4.35Å; Q679-L683 WeakPolarHBondContact O-CB 3.49Å; Q679-L683 VanDerWaalsContact O-CD1 3.31Å; Q679-L683 WeakPolarHBondContact O-CD1 3.16Å; Q679-L683 WeakPolarHBondContact O-CG 3.4Å; Q679-L683 PolarHBondContact O-N 2.94Å
680A81.1Confident82.8Confident54 Ų5458 Ų5845%0.44631%0.308SS..Hα-helixtrans-63.9-38.9-177.200000113.4T678 T684 L726T678-A680 VanDerWaalsContact C-N 3.28Å; T678-A680 PolarHBondContact O-N 2.65Å; A680-T684 PolarHBondContact O-N 2.99Å; A680-T684 VanDerWaalsContact O-N 3.1Å; A680-T684 PolarHBondContact O-OG1 3.24Å; A680-L726 HydrophobicContact CB-CD2 4.19Å
681E82.5Confident83.1Confident150 Ų15061.2 Ų61.270%0.70132%0.322SS*.Hα-helixtrans-70-47.1178.4-67.4-179.8178.200110.9T678 Q679 L683 T684 V685T678-E681 PolarHBondContact O-N 3.3Å; Q679-E681 PolarHBondContact O-N 3.16Å; E681-L683 VanDerWaalsContact C-N 3.31Å; E681-L683 PolarHBondContact O-N 2.75Å; E681-T684 WeakPolarHBondContact O-CB 3.33Å; E681-T684 PolarHBondContact O-N 2.96Å; E681-T684 VanDerWaalsContact O-N 3.14Å; E681-V685 WeakPolarHBondContact O-CG2 3.48Å; E681-V685 PolarHBondContact O-N 3.16Å
682D83.4Confident83.4Confident25 Ų2562.4 Ų62.413%0.13433%0.332CS..Hα-helixtrans-60-40.1177.5-73.3-34.2000112R633 C671 S674 Q679 V685 A686R633-D682 IonicContact NH1-OD1 3.34Å; C671-D682 HydrophobicContact CB-CB 4.3Å; S674-D682 PolarHBondContact OG-OD2 3.38Å; Q679-D682 PolarHBondContact O-N 2.85Å; D682-V685 PolarHBondContact O-N 3.47Å; D682-A686 WeakPolarHBondContact O-CB 3.27Å; D682-A686 PolarHBondContact O-N 3.15Å
683L87.8Confident83.8Confident2 Ų256 Ų561%0.0131%0.308CS..Hα-helixtrans-68.2-34.9176.6-70164.8000112.3L668 C671 Q679 E681 A686 L687 A722 K725 L726L668-L683 HydrophobicContact CD2-CD2 3.9Å; C671-L683 HydrophobicContact CB-CD2 4.2Å; C671-L683 HydrophobicContact CB-CG 4.34Å; C671-L683 VanDerWaalsContact SG-CG 3.52Å; Q679-L683 HydrophobicContact CB-CD1 4.35Å; Q679-L683 WeakPolarHBondContact O-CB 3.49Å; Q679-L683 VanDerWaalsContact O-CD1 3.31Å; Q679-L683 WeakPolarHBondContact O-CD1 3.16Å; Q679-L683 WeakPolarHBondContact O-CG 3.4Å; Q679-L683 PolarHBondContact O-N 2.94Å; E681-L683 VanDerWaalsContact C-N 3.31Å; E681-L683 PolarHBondContact O-N 2.75Å; L683-A686 PolarHBondContact O-N 2.83Å; L683-L687 WeakPolarHBondContact O-CG 3.38Å; L683-L687 PolarHBondContact O-N 3.01Å; L683-A722 HydrophobicContact CD2-CB 4.33Å; L683-K725 HydrophobicContact CD1-CB 3.66Å; L683-K725 HydrophobicContact CD2-CB 4.27Å; L683-K725 HydrophobicContact CD2-CD 4.47Å; L683-L726 HydrophobicContact CB-CD1 3.85Å; L683-L726 HydrophobicContact CB-CD2 3.93Å; L683-L726 HydrophobicContact CB-CG 3.76Å; L683-L726 HydrophobicContact CD1-CD2 4.18Å; L683-L726 HydrophobicContact CD1-CG 4.09Å
684T88.3Confident84.3Confident66 Ų6652.7 Ų52.741%0.40529%0.292SS..Hα-helixtrans-66.3-45.1175.4-56.50000110.4A680 E681 A686 L687 E688A680-T684 PolarHBondContact O-N 2.99Å; A680-T684 VanDerWaalsContact O-N 3.1Å; A680-T684 PolarHBondContact O-OG1 3.24Å; E681-T684 WeakPolarHBondContact O-CB 3.33Å; E681-T684 PolarHBondContact O-N 2.96Å; E681-T684 VanDerWaalsContact O-N 3.14Å; T684-A686 VanDerWaalsContact C-N 3.33Å; T684-A686 PolarHBondContact O-N 3.1Å; T684-L687 WeakPolarHBondContact O-CB 3.26Å; T684-L687 PolarHBondContact O-N 2.94Å; T684-L687 VanDerWaalsContact O-N 3.15Å; T684-E688 PolarHBondContact O-N 3.08Å
685V88.1Confident85Confident45 Ų4557 Ų5727%0.27331%0.309SS..Hα-helixtrans-61.8-40.4174.6171.30000111.4E681 D682 L687 E688 H689E681-V685 WeakPolarHBondContact O-CG2 3.48Å; E681-V685 PolarHBondContact O-N 3.16Å; D682-V685 PolarHBondContact O-N 3.47Å; V685-L687 VanDerWaalsContact C-N 3.34Å; V685-L687 PolarHBondContact O-N 3.2Å; V685-E688 PolarHBondContact O-N 3.05Å; V685-H689 WeakPolarHBondContact CG1-CE1 3.45Å; V685-H689 PolarHBondContact O-N 2.89Å; V685-H689 VanDerWaalsContact O-N 3.13Å; V685-H689 PolarHBondContact O-ND1 3.31Å; V685-H689 VanDerWaalsContact O-ND1 3.12Å
686A91.4Very high85.8Confident0 Ų053.3 Ų53.30%029%0.285CS..Hα-helixtrans-59.1-43.8173.300000111.9L668 D682 L683 T684 E688 H689 I690L668-A686 HydrophobicContact CD2-CB 4.1Å; L668-A686 HydrophobicContact CG-CB 4.26Å; D682-A686 WeakPolarHBondContact O-CB 3.27Å; D682-A686 PolarHBondContact O-N 3.15Å; L683-A686 PolarHBondContact O-N 2.83Å; T684-A686 VanDerWaalsContact C-N 3.33Å; T684-A686 PolarHBondContact O-N 3.1Å; A686-E688 PolarHBondContact O-N 3.02Å; A686-H689 PolarHBondContact O-N 3.33Å; A686-I690 WeakPolarHBondContact O-CD1 3.4Å; A686-I690 WeakPolarHBondContact O-CG1 3.19Å; A686-I690 PolarHBondContact O-N 3.19Å
687L91.8Very high86.7Confident16 Ų1647 Ų478%0.08426%0.256CS..Hα-helixtrans-62.6-38.4176-76.3177.5000112.9L683 T684 V685 I690 Q691 E719 A722 R723 L726L683-L687 WeakPolarHBondContact O-CG 3.38Å; L683-L687 PolarHBondContact O-N 3.01Å; T684-L687 WeakPolarHBondContact O-CB 3.26Å; T684-L687 PolarHBondContact O-N 2.94Å; T684-L687 VanDerWaalsContact O-N 3.15Å; V685-L687 VanDerWaalsContact C-N 3.34Å; V685-L687 PolarHBondContact O-N 3.2Å; L687-I690 HydrophobicContact CD2-CD1 4.44Å; L687-I690 PolarHBondContact O-N 3.35Å; L687-Q691 WeakPolarHBondContact O-CB 3.37Å; L687-Q691 VanDerWaalsContact O-CG 3.25Å; L687-Q691 WeakPolarHBondContact O-CG 3.33Å; L687-Q691 PolarHBondContact O-N 3.29Å; L687-E719 HydrophobicContact CD2-CG 4.3Å; L687-A722 HydrophobicContact CD2-CB 3.6Å; L687-A722 HydrophobicContact CG-CB 3.76Å; L687-R723 HydrophobicContact CD1-CG 4.28Å; L687-R723 HydrophobicContact CD2-CG 3.98Å; L687-L726 HydrophobicContact CD1-CD1 3.51Å; L687-L726 HydrophobicContact CG-CD1 4.44Å
688E92.9Very high87.7Confident114 Ų11448.2 Ų48.253%0.53325%0.248SC..Hα-helixtrans-61.3-45.3175.5-69.7175.9175.300111.4T684 V685 A686 I690 Q691 A692T684-E688 PolarHBondContact O-N 3.08Å; V685-E688 PolarHBondContact O-N 3.05Å; A686-E688 PolarHBondContact O-N 3.02Å; E688-I690 VanDerWaalsContact C-N 3.34Å; E688-I690 PolarHBondContact O-N 3.5Å; E688-Q691 PolarHBondContact O-N 3.44Å; E688-A692 WeakPolarHBondContact O-CB 3.34Å; E688-A692 PolarHBondContact O-N 2.61Å
689H93.1Very high88.7Confident24 Ų2448.7 Ų48.711%0.11125%0.251CS..Hα-helixtrans-62.4-40.6175.9-62.3138000112.3V637 L660 A664 V685 A686 C693V637-H689 WeakPolarHBondContact CG2-NE2 3.47Å; L660-H689 HydrophobicContact CD2-CB 4.5Å; A664-H689 HydrophobicContact CB-CB 4.14Å; V685-H689 WeakPolarHBondContact CG1-CE1 3.45Å; V685-H689 PolarHBondContact O-N 2.89Å; V685-H689 VanDerWaalsContact O-N 3.13Å; V685-H689 PolarHBondContact O-ND1 3.31Å; V685-H689 VanDerWaalsContact O-ND1 3.12Å; A686-H689 PolarHBondContact O-N 3.33Å; H689-C693 WeakPolarHBondContact O-CB 3.47Å; H689-C693 PolarHBondContact O-N 3.35Å
690I93.3Very high89.1Confident0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-63.8-46.8177.4-69.4163.1000110.8A664 A686 L687 E688 C693 W694 E719A664-I690 HydrophobicContact CB-CD1 4.43Å; A664-I690 HydrophobicContact CB-CG1 3.72Å; A686-I690 WeakPolarHBondContact O-CD1 3.4Å; A686-I690 WeakPolarHBondContact O-CG1 3.19Å; A686-I690 PolarHBondContact O-N 3.19Å; L687-I690 HydrophobicContact CD2-CD1 4.44Å; L687-I690 PolarHBondContact O-N 3.35Å; E688-I690 VanDerWaalsContact C-N 3.34Å; E688-I690 PolarHBondContact O-N 3.5Å; I690-C693 WeakPolarHBondContact O-CA 3.11Å; I690-C693 VanDerWaalsContact O-CB 3.29Å; I690-C693 WeakPolarHBondContact O-CB 3.36Å; I690-C693 PolarHBondContact O-N 3.13Å; I690-C693 VanDerWaalsContact O-N 3.09Å; I690-W694 PolarHBondContact O-N 2.92Å; I690-E719 HydrophobicContact CD1-CB 4.42Å; I690-E719 HydrophobicContact CG2-CB 3.9Å; I690-E719 HydrophobicContact CG2-CG 4.09Å
691Q92.3Very high89.2Confident98 Ų9851.1 Ų51.146%0.45825%0.247SC..Hα-helixtrans-63.3-44178.3-72.2170.524.800111.7L687 E688 C693 W694 E695L687-Q691 WeakPolarHBondContact O-CB 3.37Å; L687-Q691 VanDerWaalsContact O-CG 3.25Å; L687-Q691 WeakPolarHBondContact O-CG 3.33Å; L687-Q691 PolarHBondContact O-N 3.29Å; E688-Q691 PolarHBondContact O-N 3.44Å; Q691-C693 PolarHBondContact O-N 2.86Å; Q691-W694 WeakPolarHBondContact O-CB 3.45Å; Q691-W694 PolarHBondContact O-N 2.94Å; Q691-E695 PolarHBondContact O-N 3.49Å; Q691-E695 VanDerWaalsContact O-N 3.1Å
692A92.6Very high89.2Confident26 Ų2648.3 Ų48.322%0.21525%0.25CS..Hα-helixtrans-59-37.317300000111.5L660 E688 E695 V696L660-A692 HydrophobicContact CD1-CB 3.85Å; L660-A692 HydrophobicContact CD2-CB 4.08Å; E688-A692 WeakPolarHBondContact O-CB 3.34Å; E688-A692 PolarHBondContact O-N 2.61Å; A692-E695 PolarHBondContact O-N 3.07Å; A692-V696 WeakPolarHBondContact O-CG2 3.36Å; A692-V696 PolarHBondContact O-N 3.33Å; A692-V696 VanDerWaalsContact O-N 3.13Å
693C92.9Very high88.9Confident0 Ų050.4 Ų50.40%027%0.267CS..Hα-helixtrans-66.1-42178-1610000111.2R657 L660 H689 I690 Q691 E695 V696 C697 L715R657-C693 PolarHBondContact O-SG 3.39Å; R657-C693 VanDerWaalsContact O-SG 3.35Å; L660-C693 HydrophobicContact CB-CB 3.8Å; L660-C693 HydrophobicContact CD1-CB 4.21Å; H689-C693 WeakPolarHBondContact O-CB 3.47Å; H689-C693 PolarHBondContact O-N 3.35Å; I690-C693 WeakPolarHBondContact O-CA 3.11Å; I690-C693 VanDerWaalsContact O-CB 3.29Å; I690-C693 WeakPolarHBondContact O-CB 3.36Å; I690-C693 PolarHBondContact O-N 3.13Å; I690-C693 VanDerWaalsContact O-N 3.09Å; Q691-C693 PolarHBondContact O-N 2.86Å; C693-E695 VanDerWaalsContact C-N 3.35Å; C693-E695 PolarHBondContact O-N 3.07Å; C693-V696 PolarHBondContact O-N 2.89Å; C693-C697 PolarHBondContact O-N 3.48Å; C693-C697 PolarHBondContact O-SG 3.11Å; C693-C697 VanDerWaalsContact O-SG 3.36Å; C693-L715 HydrophobicContact CB-CD1 4.28Å; C693-L715 HydrophobicContact CB-CD2 3.91Å
694W91.3Very high88.2Confident60 Ų6051.7 Ų51.723%0.22728%0.28CS..Hα-helixtrans-59.9-41.4174.7-83.5124.8000113.1I690 Q691 V696 C697 K698 D712 L715 L716 E719I690-W694 PolarHBondContact O-N 2.92Å; Q691-W694 WeakPolarHBondContact O-CB 3.45Å; Q691-W694 PolarHBondContact O-N 2.94Å; W694-V696 VanDerWaalsContact C-N 3.34Å; W694-V696 PolarHBondContact O-N 2.93Å; W694-C697 HydrophobicContact CE3-CB 4.23Å; W694-C697 WeakPolarHBondContact O-CB 3.47Å; W694-C697 PolarHBondContact O-N 3.29Å; W694-K698 WeakPolarHBondContact O-CB 3.45Å; W694-K698 PolarHBondContact O-N 3.02Å; W694-D712 HydrophobicContact CH2-CB 4.28Å; W694-L715 HydrophobicContact CD2-CD1 4.46Å; W694-L715 HydrophobicContact CZ2-CB 3.98Å; W694-L716 HydrophobicContact CH2-CG 4.38Å; W694-L716 HydrophobicContact CZ2-CD2 3.85Å; W694-L716 HydrophobicContact CZ2-CG 3.9Å; W694-E719 PolarHBondContact NE1-OE2 3.18Å
695E91Very high87.1Confident113 Ų11355.8 Ų55.853%0.52830%0.3SS..Hα-helixtrans-63.3-41175.2-70.2-57.7147.500111.6Q691 A692 C693 K698 T699Q691-E695 PolarHBondContact O-N 3.49Å; Q691-E695 VanDerWaalsContact O-N 3.1Å; A692-E695 PolarHBondContact O-N 3.07Å; C693-E695 VanDerWaalsContact C-N 3.35Å; C693-E695 PolarHBondContact O-N 3.07Å; E695-K698 WeakPolarHBondContact O-CB 3.28Å; E695-K698 PolarHBondContact O-N 3.46Å; E695-T699 WeakPolarHBondContact O-CG2 2.94Å; E695-T699 PolarHBondContact O-N 2.87Å
696V89.5Confident86Confident9 Ų955.3 Ų55.36%0.05530%0.296CS..Hα-helixtrans-62.6-45173.21770000110.8Y640 L653 Q656 R657 L660 A692 C693 W694 K698 T699 L700Y640-V696 HydrophobicContact CE2-CG2 4.28Å; L653-V696 HydrophobicContact CD2-CG1 4.41Å; L653-V696 WeakPolarHBondContact O-CG1 3.41Å; Q656-V696 HydrophobicContact CB-CG1 3.98Å; Q656-V696 HydrophobicContact CB-CG2 4.24Å; R657-V696 HydrophobicContact CB-CG1 4.07Å; L660-V696 HydrophobicContact CD1-CG2 4.06Å; A692-V696 WeakPolarHBondContact O-CG2 3.36Å; A692-V696 PolarHBondContact O-N 3.33Å; A692-V696 VanDerWaalsContact O-N 3.13Å; C693-V696 PolarHBondContact O-N 2.89Å; W694-V696 VanDerWaalsContact C-N 3.34Å; W694-V696 PolarHBondContact O-N 2.93Å; V696-K698 VanDerWaalsContact C-N 3.3Å; V696-K698 PolarHBondContact O-N 3.24Å; V696-T699 PolarHBondContact O-N 3.31Å; V696-T699 PolarHBondContact O-OG1 2.89Å; V696-L700 HydrophobicContact CG1-CD1 4.13Å; V696-L700 PolarHBondContact O-N 3.34Å
697C87.3Confident84.6Confident0 Ų058.9 Ų58.90%032%0.319CS..Hα-helixtrans-57.1-42.2175.1-720000112.1R657 C693 W694 L700 R701R657-C697 WeakPolarHBondContact CD-SG 3.37Å; C693-C697 PolarHBondContact O-N 3.48Å; C693-C697 PolarHBondContact O-SG 3.11Å; C693-C697 VanDerWaalsContact O-SG 3.36Å; W694-C697 HydrophobicContact CE3-CB 4.23Å; W694-C697 WeakPolarHBondContact O-CB 3.47Å; W694-C697 PolarHBondContact O-N 3.29Å; C697-L700 WeakPolarHBondContact O-CB 3.39Å; C697-L700 PolarHBondContact O-N 3.41Å; C697-R701 WeakPolarHBondContact O-CG 3.31Å; C697-R701 PolarHBondContact O-N 3.05Å
698K87.4Confident83.3Confident133 Ų13363.8 Ų63.858%0.57836%0.362SS*.Hα-helixtrans-62.3-44.4176.7-175.4-177.8178.3-175.80111.8W694 E695 V696 R701 A702W694-K698 WeakPolarHBondContact O-CB 3.45Å; W694-K698 PolarHBondContact O-N 3.02Å; E695-K698 WeakPolarHBondContact O-CB 3.28Å; E695-K698 PolarHBondContact O-N 3.46Å; V696-K698 VanDerWaalsContact C-N 3.3Å; V696-K698 PolarHBondContact O-N 3.24Å; K698-R701 PolarHBondContact O-N 3.38Å; K698-A702 PolarHBondContact O-N 2.88Å; K698-A702 VanDerWaalsContact O-N 3.12Å
699T86.9Confident82.2Confident67 Ų6760.4 Ų60.441%0.41135%0.347SS..Hα-helixtrans-64.5-38.9175.566.90000112.4E695 V696 A702 S703E695-T699 WeakPolarHBondContact O-CG2 2.94Å; E695-T699 PolarHBondContact O-N 2.87Å; V696-T699 PolarHBondContact O-N 3.31Å; V696-T699 PolarHBondContact O-OG1 2.89Å; T699-A702 PolarHBondContact O-N 3.39Å; T699-S703 PolarHBondContact O-N 3.44Å
700L85.9Confident81.6Confident2 Ų263.2 Ų63.21%0.0137%0.368CS..Hα-helixtrans-62-46.1175.3-83.7166.7000111.9R650 L653 M654 R657 V696 C697 A702 S703 G704 L706R650-L700 HydrophobicContact CG-CD2 4.27Å; L653-L700 HydrophobicContact CB-CD1 4.22Å; L653-L700 HydrophobicContact CB-CD2 3.44Å; L653-L700 VanDerWaalsContact CB-CD2 3.44Å; L653-L700 HydrophobicContact CB-CG 3.76Å; L653-L700 HydrophobicContact CD1-CD2 3.96Å; L653-L700 HydrophobicContact CD1-CG 4.3Å; L653-L700 HydrophobicContact CG-CD2 4.36Å; M654-L700 HydrophobicContact CG-CD2 4.29Å; M654-L700 HydrophobicContact SD-CD1 4.02Å; M654-L700 HydrophobicContact SD-CD2 4.43Å; R657-L700 HydrophobicContact CB-CD1 4.27Å; V696-L700 HydrophobicContact CG1-CD1 4.13Å; V696-L700 PolarHBondContact O-N 3.34Å; C697-L700 WeakPolarHBondContact O-CB 3.39Å; C697-L700 PolarHBondContact O-N 3.41Å; L700-A702 VanDerWaalsContact C-N 3.29Å; L700-A702 PolarHBondContact O-N 3.5Å; L700-S703 WeakPolarHBondContact O-CA 3.42Å; L700-S703 PolarHBondContact O-N 3.45Å; L700-S703 PolarHBondContact O-OG 2.81Å; L700-G704 PolarHBondContact O-N 2.91Å; L700-L706 HydrophobicContact CB-CD2 4.01Å; L700-L706 HydrophobicContact CB-CG 4.44Å; L700-L706 HydrophobicContact CD1-CD2 4.24Å
701R84.8Confident81.1Confident123 Ų12363.9 Ų63.946%0.46437%0.371SS..Hα-helixtrans-61-37.3176.8-70.3177.2-168.1175.33112.2C697 K698 S703 G704 L706 D712C697-R701 WeakPolarHBondContact O-CG 3.31Å; C697-R701 PolarHBondContact O-N 3.05Å; K698-R701 PolarHBondContact O-N 3.38Å; R701-S703 PolarHBondContact O-N 3.22Å; R701-G704 PolarHBondContact O-N 3.5Å; R701-L706 HydrophobicContact CG-CD1 3.47Å; R701-L706 VanDerWaalsContact CG-CD1 3.47Å; R701-L706 HydrophobicContact CG-CG 4.25Å; R701-D712 IonicContact CZ-OD2 3.73Å; R701-D712 IonicContact NH2-OD1 3.32Å; R701-D712 IonicContact NH2-OD2 3.87Å; R701-D712 PolarHBondContact NH2-OD2 3.07Å
702A82.6Confident80.7Confident92 Ų9260.8 Ų60.876%0.7636%0.358SS*.Hα-helixtrans-65.6-24.9174.400000113K698 T699 L700K698-A702 PolarHBondContact O-N 2.88Å; K698-A702 VanDerWaalsContact O-N 3.12Å; T699-A702 PolarHBondContact O-N 3.39Å; L700-A702 VanDerWaalsContact C-N 3.29Å; L700-A702 PolarHBondContact O-N 3.5Å
703S75.4Confident80.3Confident69 Ų6960.9 Ų60.948%0.48336%0.357SS..Hα-helixtrans-90.4-7.3179.575.70000114.9T699 L700 R701T699-S703 PolarHBondContact O-N 3.44Å; L700-S703 WeakPolarHBondContact O-CA 3.42Å; L700-S703 PolarHBondContact O-N 3.45Å; L700-S703 PolarHBondContact O-OG 2.81Å; R701-S703 PolarHBondContact O-N 3.22Å
704G73.7Confident80.1Confident28 Ų2863.6 Ų63.629%0.28937%0.371SS..SBendtrans148.5173.3177.300000113.3L700 R701 L706L700-G704 PolarHBondContact O-N 2.91Å; R701-G704 PolarHBondContact O-N 3.5Å; G704-L706 PolarHBondContact O-N 3.27Å
705N65.2Low80.1Confident152 Ų15260.8 Ų60.881%0.81336%0.361SS*.PPolyproline II helixtrans-65.7126.1179.7-74.5-5.8000111.3R650R650-N705 PolarHBondContact NH2-O 2.93Å
706L64Low80Confident36 Ų3655.9 Ų55.919%0.18834%0.338CS..PPolyproline II helixtrans-70.2147.2170.1-78.8165.9000110M654 L700 R701 G704M654-L706 HydrophobicContact SD-CD2 4.16Å; L700-L706 HydrophobicContact CB-CD2 4.01Å; L700-L706 HydrophobicContact CB-CG 4.44Å; L700-L706 HydrophobicContact CD1-CD2 4.24Å; R701-L706 HydrophobicContact CG-CD1 3.47Å; R701-L706 VanDerWaalsContact CG-CD1 3.47Å; R701-L706 HydrophobicContact CG-CG 4.25Å; G704-L706 PolarHBondContact O-N 3.27Å
707P62.3Low80.1Confident75 Ų7556.3 Ų56.349%0.48734%0.34SS..PPolyproline II helixtrans-56.8144.2163.3-12.826.6000109.2D709P707-D709 VanDerWaalsContact C-N 3.27Å; P707-D709 PolarHBondContact O-N 3.32Å
708A64.4Low80.4Confident119 Ų11958.4 Ų58.498%0.98335%0.348SS*.  trans-66.492167.500000108
709D71.3Confident80.7Confident43 Ų4352.7 Ų52.723%0.2332%0.324CS..  trans-121.2150.5-176.985.8-43.4000110.7R657 P707 T711R657-D709 IonicContact CZ-OD1 3.68Å; R657-D709 IonicContact CZ-OD2 3.25Å; R657-D709 VanDerWaalsContact CZ-OD2 3.28Å; R657-D709 IonicContact NH1-OD1 3.91Å; R657-D709 PolarHBondContact NH1-OD1 2.92Å; R657-D709 IonicContact NH1-OD2 2.6Å; R657-D709 PolarHBondContact NH1-OD2 3.35Å; R657-D709 IonicContact NH2-OD1 2.76Å; R657-D709 IonicContact NH2-OD2 2.85Å; R657-D709 PolarHBondContact NH2-OD2 2.84Å; P707-D709 VanDerWaalsContact C-N 3.27Å; P707-D709 PolarHBondContact O-N 3.32Å; D709-T711 PolarHBondContact O-N 3.15Å; D709-T711 WeakPolarHBondContact OD2-CB 3.35Å; D709-T711 PolarHBondContact OD2-OG1 3.09Å
710P79.3Confident81Confident83 Ų8349.6 Ų49.654%0.53930%0.304SS..THydrogen-bonded Turntrans-71.42.9-172.629.8-36.2000113.5D712 S713 L714P710-D712 PolarHBondContact O-N 3.12Å; P710-S713 PolarHBondContact O-N 3.16Å; P710-L714 WeakPolarHBondContact O-CG 3.48Å; P710-L714 PolarHBondContact O-N 3.41Å
711T82.8Confident81.3Confident13 Ų1349.7 Ų49.78%0.0831%0.305CS..Hα-helixtrans-60.3-42.3-175.1-61.60000112.1R657 L661 D709 S713 L714 L715R657-T711 HydrophobicContact CG-CG2 4.2Å; L661-T711 HydrophobicContact CD1-CG2 4.46Å; L661-T711 HydrophobicContact CD2-CG2 4.1Å; D709-T711 PolarHBondContact O-N 3.15Å; D709-T711 WeakPolarHBondContact OD2-CB 3.35Å; D709-T711 PolarHBondContact OD2-OG1 3.09Å; T711-S713 VanDerWaalsContact C-N 3.35Å; T711-S713 PolarHBondContact O-N 2.73Å; T711-L714 PolarHBondContact O-N 3.48Å; T711-L715 HydrophobicContact CG2-CD1 4.16Å; T711-L715 HydrophobicContact CG2-CG 4.44Å; T711-L715 WeakPolarHBondContact O-CG 3.48Å; T711-L715 PolarHBondContact O-N 3.15Å
712D83.8Confident81.6Confident34 Ų3443.8 Ų43.818%0.18228%0.283CS..Hα-helixtrans-65.3-40.1179.8-72-7.6000111.2W694 R701 P710 L715 L716W694-D712 HydrophobicContact CH2-CB 4.28Å; R701-D712 IonicContact CZ-OD2 3.73Å; R701-D712 IonicContact NH2-OD1 3.32Å; R701-D712 IonicContact NH2-OD2 3.87Å; R701-D712 PolarHBondContact NH2-OD2 3.07Å; P710-D712 PolarHBondContact O-N 3.12Å; D712-L715 PolarHBondContact O-N 2.64Å; D712-L716 WeakPolarHBondContact O-CG 3.34Å; D712-L716 PolarHBondContact O-N 3.46Å; D712-L716 VanDerWaalsContact O-N 3.07Å
713S85.4Confident82.1Confident27 Ų2740.4 Ų40.419%0.18925%0.25CS..Hα-helixtrans-66.1-40.6174.9-53.80000112.2P710 T711 L716 L717P710-S713 PolarHBondContact O-N 3.16Å; T711-S713 VanDerWaalsContact C-N 3.35Å; T711-S713 PolarHBondContact O-N 2.73Å; S713-L716 PolarHBondContact O-N 2.95Å; S713-L717 WeakPolarHBondContact O-CG 3.36Å; S713-L717 PolarHBondContact O-N 2.96Å
714L88.7Confident82.8Confident58 Ų5837.1 Ų37.130%0.30423%0.227SC..Hα-helixtrans-65.4-41.6175.8-71.9172.1000112.1L661 P710 T711 L717 Y718L661-L714 HydrophobicContact CD1-CB 4.29Å; P710-L714 WeakPolarHBondContact O-CG 3.48Å; P710-L714 PolarHBondContact O-N 3.41Å; T711-L714 PolarHBondContact O-N 3.48Å; L714-L717 WeakPolarHBondContact O-CB 3.4Å; L714-L717 PolarHBondContact O-N 3.25Å; L714-Y718 WeakPolarHBondContact O-CD1 3.08Å; L714-Y718 PolarHBondContact O-N 3.35Å
715L90.1Very high83.6Confident0 Ų036.5 Ų36.50%022%0.216CC..Hα-helixtrans-62.2-44.6176-75.7172.3000111.6L661 C693 W694 T711 D712 L717 Y718 E719L661-L715 HydrophobicContact CD1-CD2 3.57Å; L661-L715 HydrophobicContact CD1-CG 3.82Å; C693-L715 HydrophobicContact CB-CD1 4.28Å; C693-L715 HydrophobicContact CB-CD2 3.91Å; W694-L715 HydrophobicContact CD2-CD1 4.46Å; W694-L715 HydrophobicContact CZ2-CB 3.98Å; T711-L715 HydrophobicContact CG2-CD1 4.16Å; T711-L715 HydrophobicContact CG2-CG 4.44Å; T711-L715 WeakPolarHBondContact O-CG 3.48Å; T711-L715 PolarHBondContact O-N 3.15Å; D712-L715 PolarHBondContact O-N 2.64Å; L715-L717 VanDerWaalsContact C-N 3.3Å; L715-L717 PolarHBondContact O-N 3.38Å; L715-Y718 PolarHBondContact O-N 3.36Å; L715-E719 WeakPolarHBondContact O-CB 3.49Å; L715-E719 PolarHBondContact O-N 3.29Å
716L90.3Very high84.7Confident10 Ų1031.9 Ų31.95%0.05219%0.192CC..Hα-helixtrans-61.9-37.6175.8-70.3167.1000111.9W694 D712 S713 F720 I734 V738 L741W694-L716 HydrophobicContact CH2-CG 4.38Å; W694-L716 HydrophobicContact CZ2-CD2 3.85Å; W694-L716 HydrophobicContact CZ2-CG 3.9Å; D712-L716 WeakPolarHBondContact O-CG 3.34Å; D712-L716 PolarHBondContact O-N 3.46Å; D712-L716 VanDerWaalsContact O-N 3.07Å; S713-L716 PolarHBondContact O-N 2.95Å; L716-F720 VanDerWaalsContact O-CB 3.23Å; L716-F720 WeakPolarHBondContact O-CB 3.45Å; L716-F720 PolarHBondContact O-N 3.13Å; L716-I734 HydrophobicContact CB-CG2 4.48Å; L716-I734 HydrophobicContact CD2-CG2 4.1Å; L716-V738 HydrophobicContact CB-CG2 3.76Å; L716-V738 HydrophobicContact CD1-CG2 3.7Å; L716-V738 HydrophobicContact CG-CG2 4.2Å; L716-L741 HydrophobicContact CD1-CD1 3.86Å
717L91.6Very high85.8Confident19 Ų1933.9 Ų33.910%0.09921%0.209CC..Hα-helixtrans-64.9-47.4174.1-76.7172.1000112.3S713 L714 L715 E719 F720 E721 V748 T751 M752S713-L717 WeakPolarHBondContact O-CG 3.36Å; S713-L717 PolarHBondContact O-N 2.96Å; L714-L717 WeakPolarHBondContact O-CB 3.4Å; L714-L717 PolarHBondContact O-N 3.25Å; L715-L717 VanDerWaalsContact C-N 3.3Å; L715-L717 PolarHBondContact O-N 3.38Å; L717-E719 VanDerWaalsContact C-N 3.3Å; L717-E719 PolarHBondContact O-N 2.9Å; L717-F720 PolarHBondContact O-N 3.01Å; L717-E721 PolarHBondContact O-N 3.36Å; L717-V748 HydrophobicContact CD1-CG1 4.23Å; L717-V748 HydrophobicContact CD1-CG2 4.3Å; L717-V748 HydrophobicContact CD2-CG1 3.88Å; L717-V748 HydrophobicContact CG-CG1 3.96Å; L717-T751 HydrophobicContact CD2-CG2 4.11Å; L717-M752 HydrophobicContact CD2-CG 3.51Å; L717-M752 HydrophobicContact CD2-SD 4.5Å
718Y93.4Very high87Confident43 Ų4332.2 Ų32.217%0.16920%0.196CC..Hα-helixtrans-62.4-40.6178-66.6-11.1000111.5L661 A664 A665 L668 L714 L715 E721 A722L661-Y718 HydrophobicContact CD1-CD2 3.92Å; L661-Y718 HydrophobicContact CD1-CE2 3.56Å; L661-Y718 HydrophobicContact CG-CE2 4.16Å; A664-Y718 HydrophobicContact CB-CD2 4.29Å; A665-Y718 HydrophobicContact CB-CE2 3.83Å; L668-Y718 HydrophobicContact CD1-CD1 3.73Å; L668-Y718 HydrophobicContact CD1-CG 3.71Å; L714-Y718 WeakPolarHBondContact O-CD1 3.08Å; L714-Y718 PolarHBondContact O-N 3.35Å; L715-Y718 PolarHBondContact O-N 3.36Å; Y718-E721 PolarHBondContact O-N 2.96Å; Y718-A722 WeakPolarHBondContact O-CB 3.28Å; Y718-A722 PolarHBondContact O-N 2.95Å
719E93.1Very high88Confident14 Ų1432.2 Ų32.27%0.06519%0.185CC..Hα-helixtrans-67.6-40.7178.2-168.4163.2-16700111.8L687 I690 W694 L715 L717 R723 I734L687-E719 HydrophobicContact CD2-CG 4.3Å; I690-E719 HydrophobicContact CD1-CB 4.42Å; I690-E719 HydrophobicContact CG2-CB 3.9Å; I690-E719 HydrophobicContact CG2-CG 4.09Å; W694-E719 PolarHBondContact NE1-OE2 3.18Å; L715-E719 WeakPolarHBondContact O-CB 3.49Å; L715-E719 PolarHBondContact O-N 3.29Å; L717-E719 VanDerWaalsContact C-N 3.3Å; L717-E719 PolarHBondContact O-N 2.9Å; E719-R723 WeakPolarHBondContact O-CB 3.41Å; E719-R723 WeakPolarHBondContact O-CG 3.19Å; E719-R723 PolarHBondContact O-N 3.38Å; E719-R723 IonicContact OE1-CZ 3.31Å; E719-R723 IonicContact OE1-NH1 2.69Å; E719-R723 PolarHBondContact OE1-NH1 2.88Å; E719-R723 IonicContact OE1-NH2 3Å; E719-R723 PolarHBondContact OE1-NH2 3.14Å; E719-I734 HydrophobicContact CG-CD1 4.15Å; E719-I734 HydrophobicContact CG-CG1 4.37Å
720F92.9Very high88.7Confident1 Ų136.1 Ų36.10%0.00420%0.2CC..Hα-helixtrans-63.6-48173.9-175.3-90.1000111.8L716 L717 A722 R723 A724 V731 I734 L735 M752 L755 A756L716-F720 VanDerWaalsContact O-CB 3.23Å; L716-F720 WeakPolarHBondContact O-CB 3.45Å; L716-F720 PolarHBondContact O-N 3.13Å; L717-F720 PolarHBondContact O-N 3.01Å; F720-A722 VanDerWaalsContact C-N 3.34Å; F720-A722 PolarHBondContact O-N 3.43Å; F720-R723 PolarHBondContact O-N 3.44Å; F720-A724 HydrophobicContact CE1-CB 4.4Å; F720-A724 WeakPolarHBondContact O-CB 3.43Å; F720-A724 PolarHBondContact O-N 2.62Å; F720-V731 HydrophobicContact CD2-CG2 3.62Å; F720-V731 HydrophobicContact CE2-CG2 3.48Å; F720-V731 VanDerWaalsContact CE2-CG2 3.48Å; F720-V731 HydrophobicContact CG-CG2 4.29Å; F720-V731 HydrophobicContact CZ-CG2 4Å; F720-I734 HydrophobicContact CB-CG2 3.97Å; F720-I734 HydrophobicContact CD2-CB 4.37Å; F720-I734 HydrophobicContact CD2-CG2 4.36Å; F720-L735 HydrophobicContact CE2-CB 4.32Å; F720-M752 HydrophobicContact CB-CE 3.79Å; F720-M752 HydrophobicContact CD1-CB 4.18Å; F720-M752 HydrophobicContact CD1-CE 4.34Å; F720-M752 HydrophobicContact CD1-CG 4.23Å; F720-M752 HydrophobicContact CD2-CE 3.29Å; F720-M752 HydrophobicContact CE1-CB 4.06Å; F720-M752 WeakPolarHBondContact CE1-O 3.4Å; F720-M752 HydrophobicContact CE2-CE 3.9Å; F720-M752 HydrophobicContact CG-CE 3.54Å; F720-M752 HydrophobicContact CG-CG 4.29Å; F720-M752 HydrophobicContact CZ-CB 4.32Å; F720-L755 HydrophobicContact CD1-CB 4.01Å; F720-L755 HydrophobicContact CD1-CD1 4.31Å; F720-L755 HydrophobicContact CE1-CB 3.98Å; F720-A756 HydrophobicContact CE1-CB 4.15Å; F720-A756 HydrophobicContact CZ-CB 4.02Å
721E92.6Very high89.2Confident4 Ų432.4 Ų32.42%0.01918%0.176CC..Hα-helixtrans-56.1-49.9176.2178.1170.6-174.400110.9L668 R672 L717 Y718 R723 A724 K725 L755L668-E721 HydrophobicContact CD2-CG 4.24Å; R672-E721 IonicContact CZ-OE1 2.61Å; R672-E721 IonicContact CZ-OE2 3.43Å; R672-E721 IonicContact NE-OE1 2.82Å; R672-E721 PolarHBondContact NE-OE1 2.89Å; R672-E721 IonicContact NE-OE2 2.69Å; R672-E721 IonicContact NH2-OE1 2.77Å; R672-E721 PolarHBondContact NH2-OE1 3.11Å; R672-E721 IonicContact NH2-OE2 3.62Å; R672-E721 PolarHBondContact NH2-OE2 3.44Å; L717-E721 PolarHBondContact O-N 3.36Å; Y718-E721 PolarHBondContact O-N 2.96Å; E721-R723 PolarHBondContact O-N 3.21Å; E721-A724 PolarHBondContact O-N 2.76Å; E721-K725 HydrophobicContact CG-CD 3.96Å; E721-K725 WeakPolarHBondContact O-CB 3.48Å; E721-K725 WeakPolarHBondContact O-CG 3.28Å; E721-K725 PolarHBondContact O-N 3.04Å; E721-K725 IonicContact OE1-NZ 2.75Å; E721-K725 PolarHBondContact OE1-NZ 3.31Å; E721-L755 HydrophobicContact CB-CD1 3.93Å; E721-L755 HydrophobicContact CB-CD2 4.03Å; E721-L755 HydrophobicContact CG-CD2 3.82Å
722A91.5Very high89.5Confident0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-62.1-47.6-17700000112L668 L683 L687 Y718 F720 K725 L726L668-A722 HydrophobicContact CD2-CB 4.19Å; L683-A722 HydrophobicContact CD2-CB 4.33Å; L687-A722 HydrophobicContact CD2-CB 3.6Å; L687-A722 HydrophobicContact CG-CB 3.76Å; Y718-A722 WeakPolarHBondContact O-CB 3.28Å; Y718-A722 PolarHBondContact O-N 2.95Å; F720-A722 VanDerWaalsContact C-N 3.34Å; F720-A722 PolarHBondContact O-N 3.43Å; A722-K725 PolarHBondContact O-N 3.02Å; A722-L726 WeakPolarHBondContact O-CB 3.26Å; A722-L726 WeakPolarHBondContact O-CG 3.33Å; A722-L726 PolarHBondContact O-N 3.34Å
723R92.4Very high89.8Confident20 Ų2037.7 Ų37.78%0.07520%0.203CC..Hα-helixtrans-69.2-39.3179.4-73.5-156.217997.715.4113.5L687 E719 F720 E721 L726 S727 D728 V731L687-R723 HydrophobicContact CD1-CG 4.28Å; L687-R723 HydrophobicContact CD2-CG 3.98Å; E719-R723 WeakPolarHBondContact O-CB 3.41Å; E719-R723 WeakPolarHBondContact O-CG 3.19Å; E719-R723 PolarHBondContact O-N 3.38Å; E719-R723 IonicContact OE1-CZ 3.31Å; E719-R723 IonicContact OE1-NH1 2.69Å; E719-R723 PolarHBondContact OE1-NH1 2.88Å; E719-R723 IonicContact OE1-NH2 3Å; E719-R723 PolarHBondContact OE1-NH2 3.14Å; F720-R723 PolarHBondContact O-N 3.44Å; E721-R723 PolarHBondContact O-N 3.21Å; R723-L726 PolarHBondContact O-N 3.43Å; R723-S727 PolarHBondContact O-N 2.89Å; R723-D728 HydrophobicContact CB-CB 3.96Å; R723-D728 VanDerWaalsContact CD-OD2 3.28Å; R723-D728 WeakPolarHBondContact CD-OD2 3.29Å; R723-D728 HydrophobicContact CG-CB 4.06Å; R723-D728 IonicContact NE-OD2 3.58Å; R723-D728 PolarHBondContact NE-OD2 2.9Å; R723-D728 PolarHBondContact O-N 3.04Å; R723-V731 HydrophobicContact CB-CB 4.09Å; R723-V731 HydrophobicContact CB-CG2 4.39Å
724A90.6Very high90Very high0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-60.4-48.1175.500000110.4F720 E721 L726 S727 V731 A761 F763F720-A724 HydrophobicContact CE1-CB 4.4Å; F720-A724 WeakPolarHBondContact O-CB 3.43Å; F720-A724 PolarHBondContact O-N 2.62Å; E721-A724 PolarHBondContact O-N 2.76Å; A724-L726 VanDerWaalsContact C-N 3.32Å; A724-L726 PolarHBondContact O-N 2.87Å; A724-S727 PolarHBondContact O-N 3.48Å; A724-V731 HydrophobicContact CB-CG2 3.92Å; A724-A761 HydrophobicContact CB-CB 3.85Å; A724-F763 HydrophobicContact CB-CD2 4.46Å; A724-F763 HydrophobicContact CB-CE2 4.38Å; A724-F763 WeakPolarHBondContact O-CE2 3.32Å
725K89.4Confident90Very high15 Ų1534.1 Ų34.17%0.06518%0.183CC..Hα-helixtrans-69.5-27.6-179.5-68.3-178.5174.1175.50113.1L683 E721 A722 S727 E758 P760 A761L683-K725 HydrophobicContact CD1-CB 3.66Å; L683-K725 HydrophobicContact CD2-CB 4.27Å; L683-K725 HydrophobicContact CD2-CD 4.47Å; E721-K725 HydrophobicContact CG-CD 3.96Å; E721-K725 WeakPolarHBondContact O-CB 3.48Å; E721-K725 WeakPolarHBondContact O-CG 3.28Å; E721-K725 PolarHBondContact O-N 3.04Å; E721-K725 IonicContact OE1-NZ 2.75Å; E721-K725 PolarHBondContact OE1-NZ 3.31Å; A722-K725 PolarHBondContact O-N 3.02Å; K725-S727 VanDerWaalsContact C-N 3.31Å; K725-E758 IonicContact NZ-OE1 3.04Å; K725-E758 PolarHBondContact NZ-OE1 2.97Å; K725-P760 HydrophobicContact CB-CG 3.97Å; K725-P760 HydrophobicContact CG-CG 4.25Å; K725-P760 WeakPolarHBondContact O-CG 3.21Å; K725-A761 HydrophobicContact CG-CB 4.43Å
726L89.1Confident89.9Confident56 Ų5638 Ų3829%0.29320%0.201SC..THydrogen-bonded Turntrans-81.3-5.3171.2-73.5170.4000114.2A680 L683 L687 A722 R723 A724 D728A680-L726 HydrophobicContact CB-CD2 4.19Å; L683-L726 HydrophobicContact CB-CD1 3.85Å; L683-L726 HydrophobicContact CB-CD2 3.93Å; L683-L726 HydrophobicContact CB-CG 3.76Å; L683-L726 HydrophobicContact CD1-CD2 4.18Å; L683-L726 HydrophobicContact CD1-CG 4.09Å; L687-L726 HydrophobicContact CD1-CD1 3.51Å; L687-L726 HydrophobicContact CG-CD1 4.44Å; A722-L726 WeakPolarHBondContact O-CB 3.26Å; A722-L726 WeakPolarHBondContact O-CG 3.33Å; A722-L726 PolarHBondContact O-N 3.34Å; R723-L726 PolarHBondContact O-N 3.43Å; A724-L726 VanDerWaalsContact C-N 3.32Å; A724-L726 PolarHBondContact O-N 2.87Å; L726-D728 PolarHBondContact O-N 3.25Å
727S87.3Confident89.7Confident78 Ų7839.8 Ų39.855%0.54521%0.214SC..THydrogen-bonded Turntrans55.535.7-171.8-55.90000113.7R723 A724 K725R723-S727 PolarHBondContact O-N 2.89Å; A724-S727 PolarHBondContact O-N 3.48Å; K725-S727 VanDerWaalsContact C-N 3.31Å
728D86.9Confident89.5Confident40 Ų4038.9 Ų38.921%0.21421%0.209CC..  trans-72.5125.7177-178.4-17.3000109.8R723 L726 K730 V731R723-D728 HydrophobicContact CB-CB 3.96Å; R723-D728 VanDerWaalsContact CD-OD2 3.28Å; R723-D728 WeakPolarHBondContact CD-OD2 3.29Å; R723-D728 HydrophobicContact CG-CB 4.06Å; R723-D728 IonicContact NE-OD2 3.58Å; R723-D728 PolarHBondContact NE-OD2 2.9Å; R723-D728 PolarHBondContact O-N 3.04Å; L726-D728 PolarHBondContact O-N 3.25Å; D728-K730 PolarHBondContact O-N 2.91Å; D728-K730 WeakPolarHBondContact OD1-CB 3.43Å; D728-K730 WeakPolarHBondContact OD1-CG 3.39Å; D728-K730 PolarHBondContact OD1-N 3.46Å; D728-V731 WeakPolarHBondContact O-CB 3.38Å; D728-V731 VanDerWaalsContact O-CG1 3.3Å; D728-V731 WeakPolarHBondContact O-CG1 3.36Å; D728-V731 PolarHBondContact O-N 3.43Å
729P85.1Confident89.1Confident118 Ų11840.2 Ų40.277%0.76622%0.219SC*.THydrogen-bonded Turntrans-58.7-19179.424.9-36000114V731P729-V731 PolarHBondContact O-N 3.09Å
730K86.6Confident88.6Confident126 Ų12647.3 Ų47.355%0.54825%0.252SS..THydrogen-bonded Turntrans-75.6-2176.5-63.1176.8179.8177.30114D728 E732 T733D728-K730 PolarHBondContact O-N 2.91Å; D728-K730 WeakPolarHBondContact OD1-CB 3.43Å; D728-K730 WeakPolarHBondContact OD1-CG 3.39Å; D728-K730 PolarHBondContact OD1-N 3.46Å; K730-E732 PolarHBondContact O-N 3.24Å; K730-T733 PolarHBondContact O-N 3.18Å; K730-T733 PolarHBondContact O-OG1 3.12Å
731V90.5Very high88.1Confident4 Ų450.3 Ų50.32%0.02427%0.268CS..Hα-helixtrans-58.9-34178.165.80000112.3F720 R723 A724 D728 P729 T733 I734 F763 L766F720-V731 HydrophobicContact CD2-CG2 3.62Å; F720-V731 HydrophobicContact CE2-CG2 3.48Å; F720-V731 VanDerWaalsContact CE2-CG2 3.48Å; F720-V731 HydrophobicContact CG-CG2 4.29Å; F720-V731 HydrophobicContact CZ-CG2 4Å; R723-V731 HydrophobicContact CB-CB 4.09Å; R723-V731 HydrophobicContact CB-CG2 4.39Å; A724-V731 HydrophobicContact CB-CG2 3.92Å; D728-V731 WeakPolarHBondContact O-CB 3.38Å; D728-V731 VanDerWaalsContact O-CG1 3.3Å; D728-V731 WeakPolarHBondContact O-CG1 3.36Å; D728-V731 PolarHBondContact O-N 3.43Å; P729-V731 PolarHBondContact O-N 3.09Å; V731-T733 PolarHBondContact O-N 3.13Å; V731-I734 PolarHBondContact O-N 3.28Å; V731-F763 HydrophobicContact CG1-CE1 4.36Å; V731-F763 HydrophobicContact CG1-CZ 4.41Å; V731-L766 HydrophobicContact CG1-CD1 3.59Å; V731-L766 HydrophobicContact CG2-CD1 4.26Å
732E88.5Confident87Confident89 Ų8958.7 Ų58.742%0.41631%0.307SS..Hα-helixtrans-65.1-40.1178.4-178.9161.3-158.500112.3K730 I734 L735 E736 L766 K769K730-E732 PolarHBondContact O-N 3.24Å; E732-I734 PolarHBondContact O-N 2.87Å; E732-L735 PolarHBondContact O-N 3.21Å; E732-L735 VanDerWaalsContact O-N 3.13Å; E732-E736 PolarHBondContact O-N 3.37Å; E732-E736 VanDerWaalsContact O-N 3.12Å; E732-L766 HydrophobicContact CB-CD2 3.85Å; E732-L766 HydrophobicContact CG-CD2 3.76Å; E732-K769 IonicContact OE1-NZ 3.58Å; E732-K769 PolarHBondContact OE1-NZ 3.26Å
733T89.6Confident86.3Confident69 Ų6966.7 Ų66.742%0.42334%0.344SS..Hα-helixtrans-64.4-25.3-179.662.10000112K730 V731 S737K730-T733 PolarHBondContact O-N 3.18Å; K730-T733 PolarHBondContact O-OG1 3.12Å; V731-T733 PolarHBondContact O-N 3.13Å; T733-S737 WeakPolarHBondContact O-CB 3.35Å; T733-S737 PolarHBondContact O-N 3.11Å; T733-S737 PolarHBondContact O-OG 3.24Å
734I90.9Very high85.7Confident11 Ų1167.1 Ų67.16%0.05635%0.349CS..Hα-helixtrans-73.6-39.9176.8-57-56.8000111.3L716 E719 F720 V731 E732 E736 S737 V738 M752L716-I734 HydrophobicContact CB-CG2 4.48Å; L716-I734 HydrophobicContact CD2-CG2 4.1Å; E719-I734 HydrophobicContact CG-CD1 4.15Å; E719-I734 HydrophobicContact CG-CG1 4.37Å; F720-I734 HydrophobicContact CB-CG2 3.97Å; F720-I734 HydrophobicContact CD2-CB 4.37Å; F720-I734 HydrophobicContact CD2-CG2 4.36Å; V731-I734 PolarHBondContact O-N 3.28Å; E732-I734 PolarHBondContact O-N 2.87Å; I734-E736 VanDerWaalsContact C-N 3.31Å; I734-E736 PolarHBondContact O-N 3.27Å; I734-S737 WeakPolarHBondContact O-CB 3.39Å; I734-S737 PolarHBondContact O-N 3.23Å; I734-V738 WeakPolarHBondContact O-CG2 3.49Å; I734-V738 PolarHBondContact O-N 2.55Å; I734-M752 HydrophobicContact CG2-CE 4.21Å
735L87.6Confident85.3Confident0 Ų073 Ų730%038%0.376CS..Hα-helixtrans-63-40.6172.7-179.459.6000111.2F720 E732 V738 L739 L749 M752 L766 K769 A770F720-L735 HydrophobicContact CE2-CB 4.32Å; E732-L735 PolarHBondContact O-N 3.21Å; E732-L735 VanDerWaalsContact O-N 3.13Å; L735-V738 PolarHBondContact O-N 3.05Å; L735-L739 HydrophobicContact CG-CD1 4.5Å; L735-L739 WeakPolarHBondContact O-CG 3.34Å; L735-L739 PolarHBondContact O-N 3.1Å; L735-L739 VanDerWaalsContact O-N 3.13Å; L735-L749 HydrophobicContact CD1-CD2 4.06Å; L735-M752 HydrophobicContact CB-CE 4.18Å; L735-M752 HydrophobicContact CD1-CE 4Å; L735-M752 HydrophobicContact CD1-SD 3.87Å; L735-L766 HydrophobicContact CD2-CB 4.49Å; L735-L766 HydrophobicContact CD2-CD2 4.29Å; L735-K769 HydrophobicContact CD2-CB 3.94Å; L735-K769 HydrophobicContact CD2-CD 4Å; L735-K769 HydrophobicContact CD2-CG 3.97Å; L735-A770 HydrophobicContact CD1-CB 3.94Å; L735-A770 HydrophobicContact CD2-CB 4.15Å
736E88Confident85Confident81 Ų8173.4 Ų73.438%0.37938%0.38SS..Hα-helixtrans-62.1-44.7174.5-67.4177.4167.200111.8E732 I734 V738 L739 E740 K769E732-E736 PolarHBondContact O-N 3.37Å; E732-E736 VanDerWaalsContact O-N 3.12Å; I734-E736 VanDerWaalsContact C-N 3.31Å; I734-E736 PolarHBondContact O-N 3.27Å; E736-V738 VanDerWaalsContact C-N 3.26Å; E736-V738 PolarHBondContact O-N 3.37Å; E736-L739 PolarHBondContact O-N 2.93Å; E736-E740 WeakPolarHBondContact O-CG 3.28Å; E736-E740 PolarHBondContact O-N 3.43Å; E736-E740 VanDerWaalsContact O-N 3.11Å; E736-K769 IonicContact OE1-NZ 2.79Å; E736-K769 PolarHBondContact OE1-NZ 2.9Å
737S86.5Confident84.9Confident48 Ų4876.5 Ų76.534%0.33639%0.391SS..Hα-helixtrans-58.6-36.6176-560000112.7T733 I734T733-S737 WeakPolarHBondContact O-CB 3.35Å; T733-S737 PolarHBondContact O-N 3.11Å; T733-S737 PolarHBondContact O-OG 3.24Å; I734-S737 WeakPolarHBondContact O-CB 3.39Å; I734-S737 PolarHBondContact O-N 3.23Å
738V86.8Confident84.9Confident0 Ų073.3 Ų73.30%037%0.368CS..Hα-helixtrans-66.8-41.7174.61700000110.9L716 I734 L735 E736 E740 L741 V744 V748 L749 M752L716-V738 HydrophobicContact CB-CG2 3.76Å; L716-V738 HydrophobicContact CD1-CG2 3.7Å; L716-V738 HydrophobicContact CG-CG2 4.2Å; I734-V738 WeakPolarHBondContact O-CG2 3.49Å; I734-V738 PolarHBondContact O-N 2.55Å; L735-V738 PolarHBondContact O-N 3.05Å; E736-V738 VanDerWaalsContact C-N 3.26Å; E736-V738 PolarHBondContact O-N 3.37Å; V738-E740 PolarHBondContact O-N 3.42Å; V738-L741 WeakPolarHBondContact O-CB 3.29Å; V738-L741 WeakPolarHBondContact O-CG 3.26Å; V738-L741 PolarHBondContact O-N 2.53Å; V738-V744 HydrophobicContact CG1-CG1 3.93Å; V738-V744 HydrophobicContact CG1-CG2 4.42Å; V738-V744 WeakPolarHBondContact O-CG2 3.45Å; V738-V748 HydrophobicContact CG1-CG1 4.12Å; V738-L749 HydrophobicContact CG1-CD2 3.98Å; V738-M752 HydrophobicContact CB-CE 4.44Å; V738-M752 HydrophobicContact CB-SD 4.15Å; V738-M752 HydrophobicContact CG1-SD 4.1Å; V738-M752 HydrophobicContact CG2-CE 3.8Å; V738-M752 HydrophobicContact CG2-SD 3.79Å
739L84.9Confident85Confident71 Ų7171.5 Ų71.537%0.37236%0.359SS..Hα-helixtrans-68.7-21.6-179.1-64.8172.7000113.5L735 E736 L741 L749 A773L735-L739 HydrophobicContact CG-CD1 4.5Å; L735-L739 WeakPolarHBondContact O-CG 3.34Å; L735-L739 PolarHBondContact O-N 3.1Å; L735-L739 VanDerWaalsContact O-N 3.13Å; E736-L739 PolarHBondContact O-N 2.93Å; L739-L741 VanDerWaalsContact C-N 3.33Å; L739-L749 HydrophobicContact CD2-CD1 4.44Å; L739-L749 HydrophobicContact CD2-CD2 3.93Å; L739-A773 HydrophobicContact CD2-CB 3.41Å; L739-A773 VanDerWaalsContact CD2-CB 3.41Å
740E83.8Confident85.2Confident163 Ų16367.8 Ų67.876%0.76233%0.331SS*.THydrogen-bonded Turntrans-79.6-9.6175.3-70.5178.9177.800113.8E736 V738E736-E740 WeakPolarHBondContact O-CG 3.28Å; E736-E740 PolarHBondContact O-N 3.43Å; E736-E740 VanDerWaalsContact O-N 3.11Å; V738-E740 PolarHBondContact O-N 3.42Å
741L80.9Confident85.4Confident63 Ų6364.4 Ų64.433%0.3332%0.321SS..SBendtrans-69.5140.1178.7-61172.8000111.6L716 V738 L739 H743 V744L716-L741 HydrophobicContact CD1-CD1 3.86Å; V738-L741 WeakPolarHBondContact O-CB 3.29Å; V738-L741 WeakPolarHBondContact O-CG 3.26Å; V738-L741 PolarHBondContact O-N 2.53Å; L739-L741 VanDerWaalsContact C-N 3.33Å; L741-H743 PolarHBondContact O-N 3.43Å; L741-V744 HydrophobicContact CB-CG2 3.83Å
742E71Confident85.5Confident181 Ų18164.2 Ų64.285%0.84632%0.32SS*.SBendtrans-61-30.8179.7-68-176.3167.100113
743H74.9Confident85.5Confident167 Ų16760.1 Ų60.177%0.77330%0.302SS*.SBendtrans-136.286.5-177.9-62.6-34.8000111.1L741L741-H743 PolarHBondContact O-N 3.43Å
744V79.6Confident85.6Confident29 Ų2958.9 Ų58.918%0.17630%0.302CS..  trans-87.6131.2173.5-175.70000109.7V738 L741 L749 L777V738-V744 HydrophobicContact CG1-CG1 3.93Å; V738-V744 HydrophobicContact CG1-CG2 4.42Å; V738-V744 WeakPolarHBondContact O-CG2 3.45Å; L741-V744 HydrophobicContact CB-CG2 3.83Å; V744-L749 HydrophobicContact CG1-CD1 3.84Å; V744-L749 HydrophobicContact CG1-CD2 4.29Å; V744-L749 HydrophobicContact CG1-CG 3.81Å; V744-L777 HydrophobicContact CB-CD2 4.42Å; V744-L777 WeakPolarHBondContact O-CD2 3.43Å
745E83.2Confident85.6Confident124 Ų12459 Ų5958%0.57930%0.303SS*.  trans-82.1136.7168.8-66.7-178.2-175.300110.5K747 V748E745-K747 PolarHBondContact O-N 3.16Å; E745-K747 VanDerWaalsContact O-N 3.14Å; E745-V748 HydrophobicContact CB-CG2 4.12Å; E745-V748 WeakPolarHBondContact O-CB 3.38Å; E745-V748 PolarHBondContact O-N 2.79Å; E745-V748 VanDerWaalsContact O-N 3.09Å
746T83.6Confident85.7Confident24 Ų2459 Ų5915%0.14730%0.303CS..Hα-helixtrans-54.8-3417547.60000111.6V748 L749 E750 L777 H778T746-V748 VanDerWaalsContact C-N 3.34Å; T746-V748 PolarHBondContact O-N 2.66Å; T746-L749 PolarHBondContact O-N 3.17Å; T746-E750 WeakPolarHBondContact O-CG 3.4Å; T746-E750 PolarHBondContact O-N 3.15Å; T746-L777 HydrophobicContact CG2-CB 4.14Å; T746-L777 HydrophobicContact CG2-CD2 3.66Å; T746-L777 HydrophobicContact CG2-CG 3.99Å; T746-H778 HydrophobicContact CG2-CB 4.15Å
747K85.8Confident85.8Confident121 Ų12157.8 Ų57.853%0.52630%0.298SS..Hα-helixtrans-64.2-33.2179.7-169.755.7177.6179.80114.1E745 E750 T751E745-K747 PolarHBondContact O-N 3.16Å; E745-K747 VanDerWaalsContact O-N 3.14Å; K747-E750 WeakPolarHBondContact CD-OE2 3.41Å; K747-E750 IonicContact NZ-OE2 2.71Å; K747-E750 PolarHBondContact NZ-OE2 3.3Å; K747-T751 WeakPolarHBondContact O-CB 3.31Å; K747-T751 PolarHBondContact O-N 3.49Å; K747-T751 PolarHBondContact O-OG1 3.23Å
748V87.6Confident85.9Confident10 Ų1059.1 Ų59.16%0.06130%0.299CS..Hα-helixtrans-64.8-47.1176.2172.90000109.3L717 V738 E745 T746 T751 M752L717-V748 HydrophobicContact CD1-CG1 4.23Å; L717-V748 HydrophobicContact CD1-CG2 4.3Å; L717-V748 HydrophobicContact CD2-CG1 3.88Å; L717-V748 HydrophobicContact CG-CG1 3.96Å; V738-V748 HydrophobicContact CG1-CG1 4.12Å; E745-V748 HydrophobicContact CB-CG2 4.12Å; E745-V748 WeakPolarHBondContact O-CB 3.38Å; E745-V748 PolarHBondContact O-N 2.79Å; E745-V748 VanDerWaalsContact O-N 3.09Å; T746-V748 VanDerWaalsContact C-N 3.34Å; T746-V748 PolarHBondContact O-N 2.66Å; V748-T751 PolarHBondContact O-N 3.13Å; V748-T751 VanDerWaalsContact O-N 3.17Å; V748-M752 HydrophobicContact CG1-SD 4.3Å; V748-M752 WeakPolarHBondContact O-CG 3.36Å; V748-M752 PolarHBondContact O-N 3.21Å
749L89.4Confident85.6Confident3 Ų363.7 Ų63.72%0.01633%0.329CS..Hα-helixtrans-65.2-39.4178.1-64.4171.4000112.5L735 V738 L739 V744 T746 T751 M752 A753 A773 A774L735-L749 HydrophobicContact CD1-CD2 4.06Å; V738-L749 HydrophobicContact CG1-CD2 3.98Å; L739-L749 HydrophobicContact CD2-CD1 4.44Å; L739-L749 HydrophobicContact CD2-CD2 3.93Å; V744-L749 HydrophobicContact CG1-CD1 3.84Å; V744-L749 HydrophobicContact CG1-CD2 4.29Å; V744-L749 HydrophobicContact CG1-CG 3.81Å; T746-L749 PolarHBondContact O-N 3.17Å; L749-T751 VanDerWaalsContact C-N 3.3Å; L749-T751 PolarHBondContact O-N 3.32Å; L749-M752 PolarHBondContact O-N 3.08Å; L749-A753 WeakPolarHBondContact O-CB 3.37Å; L749-A753 PolarHBondContact O-N 3.45Å; L749-A773 HydrophobicContact CD1-CB 3.92Å; L749-A774 HydrophobicContact CB-CB 3.86Å; L749-A774 HydrophobicContact CD1-CB 4.2Å
750E89.1Confident85.6Confident40 Ų4063.2 Ų63.219%0.18733%0.33CS..Hα-helixtrans-57.3-44.6171.4-72.4-174.816500111.6T746 K747 A753 G754 H788 Y792T746-E750 WeakPolarHBondContact O-CG 3.4Å; T746-E750 PolarHBondContact O-N 3.15Å; K747-E750 WeakPolarHBondContact CD-OE2 3.41Å; K747-E750 IonicContact NZ-OE2 2.71Å; K747-E750 PolarHBondContact NZ-OE2 3.3Å; E750-A753 PolarHBondContact O-N 3.09Å; E750-G754 PolarHBondContact O-N 3.47Å; E750-H788 IonicContact OE1-CE1 2.65Å; E750-H788 IonicContact OE1-ND1 3.27Å; E750-H788 PolarHBondContact OE1-ND1 2.61Å; E750-Y792 HydrophobicContact CG-CE1 3.67Å; E750-Y792 VanDerWaalsContact OE1-CE1 3.28Å; E750-Y792 WeakPolarHBondContact OE1-CE1 3.34Å; E750-Y792 PolarHBondContact OE1-OH 3.44Å
751T90.4Very high85.8Confident54 Ų5455.5 Ų55.533%0.33129%0.294SS..Hα-helixtrans-68.2-42.9-178-530000110.7L717 K747 V748 L749 A753 G754 L755L717-T751 HydrophobicContact CD2-CG2 4.11Å; K747-T751 WeakPolarHBondContact O-CB 3.31Å; K747-T751 PolarHBondContact O-N 3.49Å; K747-T751 PolarHBondContact O-OG1 3.23Å; V748-T751 PolarHBondContact O-N 3.13Å; V748-T751 VanDerWaalsContact O-N 3.17Å; L749-T751 VanDerWaalsContact C-N 3.3Å; L749-T751 PolarHBondContact O-N 3.32Å; T751-A753 VanDerWaalsContact C-N 3.33Å; T751-A753 PolarHBondContact O-N 3.33Å; T751-G754 PolarHBondContact O-N 2.96Å; T751-L755 HydrophobicContact CG2-CD1 4.07Å; T751-L755 HydrophobicContact CG2-CG 4.41Å; T751-L755 WeakPolarHBondContact O-CB 3.36Å; T751-L755 VanDerWaalsContact O-CG 3.28Å; T751-L755 WeakPolarHBondContact O-CG 3.49Å; T751-L755 PolarHBondContact O-N 3.18Å
752M92.3Very high86.2Confident0 Ų058.6 Ų58.60%031%0.307CS..Hα-helixtrans-60.9-40.9173.6-66.2177.694.800112L717 F720 I734 L735 V738 V748 L749 G754 L755 A756L717-M752 HydrophobicContact CD2-CG 3.51Å; L717-M752 HydrophobicContact CD2-SD 4.5Å; F720-M752 HydrophobicContact CB-CE 3.79Å; F720-M752 HydrophobicContact CD1-CB 4.18Å; F720-M752 HydrophobicContact CD1-CE 4.34Å; F720-M752 HydrophobicContact CD1-CG 4.23Å; F720-M752 HydrophobicContact CD2-CE 3.29Å; F720-M752 HydrophobicContact CE1-CB 4.06Å; F720-M752 WeakPolarHBondContact CE1-O 3.4Å; F720-M752 HydrophobicContact CE2-CE 3.9Å; F720-M752 HydrophobicContact CG-CE 3.54Å; F720-M752 HydrophobicContact CG-CG 4.29Å; F720-M752 HydrophobicContact CZ-CB 4.32Å; I734-M752 HydrophobicContact CG2-CE 4.21Å; L735-M752 HydrophobicContact CB-CE 4.18Å; L735-M752 HydrophobicContact CD1-CE 4Å; L735-M752 HydrophobicContact CD1-SD 3.87Å; V738-M752 HydrophobicContact CB-CE 4.44Å; V738-M752 HydrophobicContact CB-SD 4.15Å; V738-M752 HydrophobicContact CG1-SD 4.1Å; V738-M752 HydrophobicContact CG2-CE 3.8Å; V738-M752 HydrophobicContact CG2-SD 3.79Å; V748-M752 HydrophobicContact CG1-SD 4.3Å; V748-M752 WeakPolarHBondContact O-CG 3.36Å; V748-M752 PolarHBondContact O-N 3.21Å; L749-M752 PolarHBondContact O-N 3.08Å; M752-G754 VanDerWaalsContact C-N 3.32Å; M752-G754 PolarHBondContact O-N 2.79Å; M752-L755 PolarHBondContact O-N 3.33Å; M752-A756 WeakPolarHBondContact O-CB 3.41Å; M752-A756 PolarHBondContact O-N 2.68Å
753A90.1Very high87Confident4 Ų452.6 Ų52.63%0.03328%0.278CS..Hα-helixtrans-61.4-41.117600000112L749 E750 T751 C767 A770 L771L749-A753 WeakPolarHBondContact O-CB 3.37Å; L749-A753 PolarHBondContact O-N 3.45Å; E750-A753 PolarHBondContact O-N 3.09Å; T751-A753 VanDerWaalsContact C-N 3.33Å; T751-A753 PolarHBondContact O-N 3.33Å; A753-C767 PolarHBondContact O-SG 3.21Å; A753-A770 HydrophobicContact CB-CB 4.04Å; A753-L771 HydrophobicContact CB-CD2 3.79Å; A753-L771 HydrophobicContact CB-CG 3.73Å
754G90.1Very high87.6Confident43 Ų4346.4 Ų46.444%0.44325%0.252SS..Hα-helixtrans-63.2-51.4173.500000112.5E750 T751 M752 A756 M757 E758E750-G754 PolarHBondContact O-N 3.47Å; T751-G754 PolarHBondContact O-N 2.96Å; M752-G754 VanDerWaalsContact C-N 3.32Å; M752-G754 PolarHBondContact O-N 2.79Å; G754-A756 VanDerWaalsContact C-N 3.26Å; G754-A756 PolarHBondContact O-N 2.9Å; G754-M757 PolarHBondContact O-N 3.1Å; G754-E758 PolarHBondContact O-N 3.39Å; G754-E758 VanDerWaalsContact O-N 3.16Å
755L91Very high87.9Confident12 Ų1251 Ų516%0.06327%0.272CS..Hα-helixtrans-60.1-33.1-180-71170000112.9F720 E721 T751 M752 M757 E758 A761F720-L755 HydrophobicContact CD1-CB 4.01Å; F720-L755 HydrophobicContact CD1-CD1 4.31Å; F720-L755 HydrophobicContact CE1-CB 3.98Å; E721-L755 HydrophobicContact CB-CD1 3.93Å; E721-L755 HydrophobicContact CB-CD2 4.03Å; E721-L755 HydrophobicContact CG-CD2 3.82Å; T751-L755 HydrophobicContact CG2-CD1 4.07Å; T751-L755 HydrophobicContact CG2-CG 4.41Å; T751-L755 WeakPolarHBondContact O-CB 3.36Å; T751-L755 VanDerWaalsContact O-CG 3.28Å; T751-L755 WeakPolarHBondContact O-CG 3.49Å; T751-L755 PolarHBondContact O-N 3.18Å; M752-L755 PolarHBondContact O-N 3.33Å; L755-M757 PolarHBondContact O-N 3.37Å; L755-E758 PolarHBondContact O-N 2.87Å; L755-A761 WeakPolarHBondContact O-CB 3.24Å
756A91.3Very high88.2Confident0 Ų045.7 Ų45.70%025%0.247CC..THydrogen-bonded Turntrans-62.6-22.8176.800000113F720 M752 G754 H762 F763 C767F720-A756 HydrophobicContact CE1-CB 4.15Å; F720-A756 HydrophobicContact CZ-CB 4.02Å; M752-A756 WeakPolarHBondContact O-CB 3.41Å; M752-A756 PolarHBondContact O-N 2.68Å; G754-A756 VanDerWaalsContact C-N 3.26Å; G754-A756 PolarHBondContact O-N 2.9Å; A756-H762 CarbonylContact O-C 3.47Å; A756-H762 WeakPolarHBondContact O-CA 3.49Å; A756-F763 HydrophobicContact CB-CB 4.34Å; A756-F763 PolarHBondContact O-N 3.1Å; A756-C767 HydrophobicContact CB-CB 4.13Å
757M89.8Confident88.5Confident57 Ų5744.9 Ų44.928%0.28124%0.243SC..THydrogen-bonded Turntrans-113.6-0-177-61.6-62.1-67.100112.9G754 L755 A761 P764 C767 L799G754-M757 PolarHBondContact O-N 3.1Å; L755-M757 PolarHBondContact O-N 3.37Å; M757-A761 CarbonylContact C-O 3.57Å; M757-P764 HydrophobicContact CE-CG 4.14Å; M757-P764 HydrophobicContact SD-CB 4.22Å; M757-P764 HydrophobicContact SD-CG 3.98Å; M757-C767 HydrophobicContact CG-CB 3.8Å; M757-C767 HydrophobicContact SD-CB 4.14Å; M757-L799 HydrophobicContact CE-CD2 3.9Å
758E87.9Confident88.7Confident75 Ų7539.7 Ų39.735%0.3522%0.22SC..SBendtrans-83.1119.3-179.3-171.4-172.5137.700110.6K725 G754 L755 A761K725-E758 IonicContact NZ-OE1 3.04Å; K725-E758 PolarHBondContact NZ-OE1 2.97Å; G754-E758 PolarHBondContact O-N 3.39Å; G754-E758 VanDerWaalsContact O-N 3.16Å; L755-E758 PolarHBondContact O-N 2.87Å; E758-A761 CarbonylContact C-O 3.53Å; E758-A761 WeakPolarHBondContact O-CA 3.38Å; E758-A761 VanDerWaalsContact O-CB 3.26Å; E758-A761 WeakPolarHBondContact O-CB 3.42Å; E758-A761 PolarHBondContact O-N 3.34Å
759P80.7Confident88.7Confident97 Ų9741.9 Ų41.963%0.6323%0.229SC*.THydrogen-bonded Turntrans-53.6136.9-179-26.234.3000112.6
760P84.4Confident88.8Confident60 Ų6041.8 Ų41.839%0.3923%0.229SC..THydrogen-bonded Turncis-80.9-1.88.232.8-38.1000115.8K725K725-P760 HydrophobicContact CB-CG 3.97Å; K725-P760 HydrophobicContact CG-CG 4.25Å; K725-P760 WeakPolarHBondContact O-CG 3.21Å
761A87.8Confident88.8Confident2 Ų240.5 Ų40.52%0.01722%0.223CC..  trans-73.1139.6-179.500000112A724 K725 L755 M757 E758 F763A724-A761 HydrophobicContact CB-CB 3.85Å; K725-A761 HydrophobicContact CG-CB 4.43Å; L755-A761 WeakPolarHBondContact O-CB 3.24Å; M757-A761 CarbonylContact C-O 3.57Å; E758-A761 CarbonylContact C-O 3.53Å; E758-A761 WeakPolarHBondContact O-CA 3.38Å; E758-A761 VanDerWaalsContact O-CB 3.26Å; E758-A761 WeakPolarHBondContact O-CB 3.42Å; E758-A761 PolarHBondContact O-N 3.34Å; A761-F763 HydrophobicContact CB-CD2 4.25Å; A761-F763 HydrophobicContact CB-CE2 4.3Å
762H89.2Confident88.7Confident128 Ų12843 Ų4359%0.59323%0.227SC*.  trans-148.386173-17073.5000111.2A756 P764A756-H762 CarbonylContact O-C 3.47Å; A756-H762 WeakPolarHBondContact O-CA 3.49Å; H762-P764 VanDerWaalsContact C-CD 3.5Å; H762-P764 WeakPolarHBondContact NE2-CG 3.48Å; H762-P764 WeakPolarHBondContact O-CD 3.25Å
763F89.4Confident88.5Confident54 Ų5443.9 Ų43.924%0.23723%0.233CC..  trans-123.674.2-179.8-61.8-84.2000111.9A724 V731 A756 A761 Q765 L766 C767A724-F763 HydrophobicContact CB-CD2 4.46Å; A724-F763 HydrophobicContact CB-CE2 4.38Å; A724-F763 WeakPolarHBondContact O-CE2 3.32Å; V731-F763 HydrophobicContact CG1-CE1 4.36Å; V731-F763 HydrophobicContact CG1-CZ 4.41Å; A756-F763 HydrophobicContact CB-CB 4.34Å; A756-F763 PolarHBondContact O-N 3.1Å; A761-F763 HydrophobicContact CB-CD2 4.25Å; A761-F763 HydrophobicContact CB-CE2 4.3Å; F763-Q765 PolarHBondContact O-N 3.26Å; F763-L766 HydrophobicContact CB-CB 3.99Å; F763-L766 HydrophobicContact CB-CD1 3.85Å; F763-L766 HydrophobicContact CB-CG 4.09Å; F763-L766 HydrophobicContact CD1-CD1 4.12Å; F763-L766 HydrophobicContact CG-CD1 4.03Å; F763-L766 PolarHBondContact O-N 3.42Å; F763-L766 VanDerWaalsContact O-N 3.13Å; F763-C767 PolarHBondContact O-N 3.27Å
764P86.4Confident88.3Confident37 Ų3743.7 Ų43.724%0.2423%0.232CC..Hα-helixtrans-56.4-35.1-178.1-25.533.5000113.9M757 H762 C767 K768M757-P764 HydrophobicContact CE-CG 4.14Å; M757-P764 HydrophobicContact SD-CB 4.22Å; M757-P764 HydrophobicContact SD-CG 3.98Å; H762-P764 VanDerWaalsContact C-CD 3.5Å; H762-P764 WeakPolarHBondContact NE2-CG 3.48Å; H762-P764 WeakPolarHBondContact O-CD 3.25Å; P764-C767 WeakPolarHBondContact O-CB 3.4Å; P764-C767 PolarHBondContact O-N 3.06Å; P764-K768 WeakPolarHBondContact O-CG 3.07Å; P764-K768 PolarHBondContact O-N 3.35Å
765Q87Confident88.2Confident126 Ų12641.9 Ų41.959%0.58921%0.212SC*.Hα-helixtrans-69.5-39.2179.9-62.8-59.6-25.100112.4F763 K768 K769F763-Q765 PolarHBondContact O-N 3.26Å; Q765-K768 PolarHBondContact O-N 3.12Å; Q765-K769 WeakPolarHBondContact O-CB 3.37Å; Q765-K769 PolarHBondContact O-N 2.79Å
766L89Confident87.9Confident12 Ų1244.1 Ų44.16%0.06323%0.229CC..Hα-helixtrans-70-37.7175-63.9178.5000111.3V731 E732 L735 F763 K769 A770V731-L766 HydrophobicContact CG1-CD1 3.59Å; V731-L766 HydrophobicContact CG2-CD1 4.26Å; E732-L766 HydrophobicContact CB-CD2 3.85Å; E732-L766 HydrophobicContact CG-CD2 3.76Å; L735-L766 HydrophobicContact CD2-CB 4.49Å; L735-L766 HydrophobicContact CD2-CD2 4.29Å; F763-L766 HydrophobicContact CB-CB 3.99Å; F763-L766 HydrophobicContact CB-CD1 3.85Å; F763-L766 HydrophobicContact CB-CG 4.09Å; F763-L766 HydrophobicContact CD1-CD1 4.12Å; F763-L766 HydrophobicContact CG-CD1 4.03Å; F763-L766 PolarHBondContact O-N 3.42Å; F763-L766 VanDerWaalsContact O-N 3.13Å; L766-K769 PolarHBondContact O-N 2.99Å; L766-A770 WeakPolarHBondContact O-CB 3.37Å; L766-A770 PolarHBondContact O-N 3.47Å
767C89.8Confident87.6Confident8 Ų846.6 Ų46.65%0.05424%0.241CC..Hα-helixtrans-57.1-49.2171.8-172.20000111.2A753 A756 M757 F763 P764 K769 A770 L771 L799A753-C767 PolarHBondContact O-SG 3.21Å; A756-C767 HydrophobicContact CB-CB 4.13Å; M757-C767 HydrophobicContact CG-CB 3.8Å; M757-C767 HydrophobicContact SD-CB 4.14Å; F763-C767 PolarHBondContact O-N 3.27Å; P764-C767 WeakPolarHBondContact O-CB 3.4Å; P764-C767 PolarHBondContact O-N 3.06Å; C767-K769 PolarHBondContact O-N 3.49Å; C767-A770 PolarHBondContact O-N 2.92Å; C767-L771 WeakPolarHBondContact O-CB 3.45Å; C767-L771 WeakPolarHBondContact O-CG 3.42Å; C767-L771 PolarHBondContact O-N 2.9Å; C767-L799 HydrophobicContact CB-CD1 4.15Å; C767-L799 VanDerWaalsContact SG-CD1 3.52Å
768K89Confident87.2Confident11 Ų1144.4 Ų44.45%0.04823%0.231CC..Hα-helixtrans-59.6-47.2175.2-70.9176.7-170.1-173.40112.2P764 Q765 A770 L771 R772 L796 L799 S800P764-K768 WeakPolarHBondContact O-CG 3.07Å; P764-K768 PolarHBondContact O-N 3.35Å; Q765-K768 PolarHBondContact O-N 3.12Å; K768-A770 VanDerWaalsContact C-N 3.35Å; K768-A770 PolarHBondContact O-N 3.48Å; K768-L771 PolarHBondContact O-N 3.07Å; K768-R772 WeakPolarHBondContact O-CG 3.25Å; K768-R772 PolarHBondContact O-N 3.34Å; K768-L796 HydrophobicContact CB-CD2 4.07Å; K768-L796 HydrophobicContact CG-CD2 4.18Å; K768-L799 VanDerWaalsContact CE-C 3.45Å; K768-L799 WeakPolarHBondContact CE-O 3.44Å; K768-L799 HydrophobicContact CG-CB 4.17Å; K768-L799 HydrophobicContact CG-CD1 4.22Å; K768-L799 PolarHBondContact NZ-O 2.9Å; K768-S800 WeakPolarHBondContact CE-OG 3.31Å; K768-S800 PolarHBondContact NZ-OG 3.27Å
769K89.3Confident86.8Confident57 Ų5745.1 Ų45.125%0.24823%0.23CC..Hα-helixtrans-57.6-46179-168.5175.7-178.4-174.80111.1E732 L735 E736 Q765 L766 C767 A773E732-K769 IonicContact OE1-NZ 3.58Å; E732-K769 PolarHBondContact OE1-NZ 3.26Å; L735-K769 HydrophobicContact CD2-CB 3.94Å; L735-K769 HydrophobicContact CD2-CD 4Å; L735-K769 HydrophobicContact CD2-CG 3.97Å; E736-K769 IonicContact OE1-NZ 2.79Å; E736-K769 PolarHBondContact OE1-NZ 2.9Å; Q765-K769 WeakPolarHBondContact O-CB 3.37Å; Q765-K769 PolarHBondContact O-N 2.79Å; L766-K769 PolarHBondContact O-N 2.99Å; C767-K769 PolarHBondContact O-N 3.49Å; K769-A773 PolarHBondContact O-N 3Å
770A89.9Confident86.7Confident1 Ų148.7 Ų48.71%0.00824%0.236CC..Hα-helixtrans-65.7-45177.500000112.9L735 A753 L766 C767 K768 A773 A774L735-A770 HydrophobicContact CD1-CB 3.94Å; L735-A770 HydrophobicContact CD2-CB 4.15Å; A753-A770 HydrophobicContact CB-CB 4.04Å; L766-A770 WeakPolarHBondContact O-CB 3.37Å; L766-A770 PolarHBondContact O-N 3.47Å; C767-A770 PolarHBondContact O-N 2.92Å; K768-A770 VanDerWaalsContact C-N 3.35Å; K768-A770 PolarHBondContact O-N 3.48Å; A770-A773 PolarHBondContact O-N 3.42Å; A770-A774 PolarHBondContact O-N 3Å
771L89.8Confident86.4Confident13 Ų1349.9 Ų49.97%0.06824%0.236CC..Hα-helixtrans-65.3-39.3178.7-72.4173.7000112.8A753 C767 K768 A774 L775 Y792 L796 L799A753-L771 HydrophobicContact CB-CD2 3.79Å; A753-L771 HydrophobicContact CB-CG 3.73Å; C767-L771 WeakPolarHBondContact O-CB 3.45Å; C767-L771 WeakPolarHBondContact O-CG 3.42Å; C767-L771 PolarHBondContact O-N 2.9Å; K768-L771 PolarHBondContact O-N 3.07Å; L771-A774 PolarHBondContact O-N 3.27Å; L771-L775 WeakPolarHBondContact O-CB 3.25Å; L771-L775 PolarHBondContact O-N 3.18Å; L771-Y792 HydrophobicContact CD2-CD1 4.14Å; L771-L796 HydrophobicContact CB-CD1 4.36Å; L771-L796 HydrophobicContact CB-CD2 3.7Å; L771-L796 HydrophobicContact CB-CG 3.92Å; L771-L796 HydrophobicContact CD1-CD2 4.27Å; L771-L796 HydrophobicContact CD1-CG 4.35Å; L771-L799 HydrophobicContact CD1-CD1 4.08Å
772R88.7Confident85.3Confident107 Ų10756.3 Ų56.340%0.40428%0.278SS..Hα-helixtrans-61.6-44.9173.9-74-175.2-161.7152.24.3111.4K768 L775 S776 L796 E815 Y819K768-R772 WeakPolarHBondContact O-CG 3.25Å; K768-R772 PolarHBondContact O-N 3.34Å; R772-L775 PolarHBondContact O-N 2.89Å; R772-S776 WeakPolarHBondContact O-CB 3.36Å; R772-S776 PolarHBondContact O-N 3.18Å; R772-L796 HydrophobicContact CG-CD1 4.13Å; R772-L796 HydrophobicContact CG-CD2 3.98Å; R772-E815 IonicContact CZ-OE1 3Å; R772-E815 IonicContact NH2-OE1 2.64Å; R772-E815 PolarHBondContact NH2-OE1 2.85Å; R772-E815 IonicContact NH2-OE2 3.1Å; R772-Y819 HydrophobicContact CG-CE1 4.11Å; R772-Y819 PolarHBondContact NE-OH 2.98Å; R772-Y819 PolarHBondContact NH2-OH 3.02Å
773A87.4Confident84Confident17 Ų1758.9 Ų58.914%0.1429%0.29CS..Hα-helixtrans-61.6-44.7176.600000111.3L739 L749 K769 A770 L775 S776 L777L739-A773 HydrophobicContact CD2-CB 3.41Å; L739-A773 VanDerWaalsContact CD2-CB 3.41Å; L749-A773 HydrophobicContact CD1-CB 3.92Å; K769-A773 PolarHBondContact O-N 3Å; A770-A773 PolarHBondContact O-N 3.42Å; A773-L775 PolarHBondContact O-N 2.83Å; A773-S776 PolarHBondContact O-N 3.49Å; A773-S776 PolarHBondContact O-OG 2.83Å; A773-L777 WeakPolarHBondContact O-CB 3.46Å; A773-L777 PolarHBondContact O-N 3.36Å
774A87.6Confident82.9Confident0 Ų058.2 Ų58.20%030%0.295CS..Hα-helixtrans-60.1-45.5176.300000112.1L749 A770 L771 S776 L777 H778 Y792L749-A774 HydrophobicContact CB-CB 3.86Å; L749-A774 HydrophobicContact CD1-CB 4.2Å; A770-A774 PolarHBondContact O-N 3Å; L771-A774 PolarHBondContact O-N 3.27Å; A774-S776 PolarHBondContact O-N 3.02Å; A774-L777 PolarHBondContact O-N 2.95Å; A774-H778 WeakPolarHBondContact O-CB 3.41Å; A774-H778 PolarHBondContact O-N 3.09Å; A774-Y792 HydrophobicContact CB-CE2 4.4Å
775L86.3Confident82.3Confident6 Ų659.5 Ų59.53%0.03130%0.299CS..Hα-helixtrans-60.7-44.3176.2-179.465.5000111.8L771 R772 A773 L777 H778 R779 C789 Y792 V793 L796 I826L771-L775 WeakPolarHBondContact O-CB 3.25Å; L771-L775 PolarHBondContact O-N 3.18Å; R772-L775 PolarHBondContact O-N 2.89Å; A773-L775 PolarHBondContact O-N 2.83Å; L775-L777 VanDerWaalsContact C-N 3.32Å; L775-L777 PolarHBondContact O-N 3.36Å; L775-H778 PolarHBondContact O-N 3.26Å; L775-R779 WeakPolarHBondContact O-CB 3.38Å; L775-R779 WeakPolarHBondContact O-CG 3.4Å; L775-R779 PolarHBondContact O-N 3.38Å; L775-C789 HydrophobicContact CD1-CB 3.99Å; L775-Y792 HydrophobicContact CB-CD2 4.06Å; L775-Y792 HydrophobicContact CD1-CD2 4Å; L775-V793 HydrophobicContact CD1-CG2 4.11Å; L775-V793 HydrophobicContact CD2-CG2 3.73Å; L775-L796 HydrophobicContact CD2-CD1 4.25Å; L775-I826 HydrophobicContact CD1-CD1 4.22Å
776S85.8Confident81.6Confident59 Ų5954.7 Ų54.741%0.41328%0.279SS..Hα-helixtrans-64.4-36.817980.90000112.7R772 A773 A774 K780R772-S776 WeakPolarHBondContact O-CB 3.36Å; R772-S776 PolarHBondContact O-N 3.18Å; A773-S776 PolarHBondContact O-N 3.49Å; A773-S776 PolarHBondContact O-OG 2.83Å; A774-S776 PolarHBondContact O-N 3.02Å; S776-K780 WeakPolarHBondContact O-CG 3.34Å
777L84Confident81Confident51 Ų5156.3 Ų56.327%0.26729%0.29SS..Hα-helixtrans-74.8-43.9179.7-175.769.8000110.9V744 T746 A773 A774 L775 R779 K780V744-L777 HydrophobicContact CB-CD2 4.42Å; V744-L777 WeakPolarHBondContact O-CD2 3.43Å; T746-L777 HydrophobicContact CG2-CB 4.14Å; T746-L777 HydrophobicContact CG2-CD2 3.66Å; T746-L777 HydrophobicContact CG2-CG 3.99Å; A773-L777 WeakPolarHBondContact O-CB 3.46Å; A773-L777 PolarHBondContact O-N 3.36Å; A774-L777 PolarHBondContact O-N 2.95Å; L775-L777 VanDerWaalsContact C-N 3.32Å; L775-L777 PolarHBondContact O-N 3.36Å; L777-R779 VanDerWaalsContact C-N 3.33Å; L777-R779 PolarHBondContact O-N 3.05Å; L777-K780 PolarHBondContact O-N 3.49Å; L777-K780 VanDerWaalsContact O-N 3.11Å
778H82.3Confident80.4Confident12 Ų1258.8 Ų58.86%0.05630%0.3CS..Hα-helixtrans-61.4-40.8177.7-163.185000111.6T746 A774 L775 K780 Q781 A784 D785 C789 Y792T746-H778 HydrophobicContact CG2-CB 4.15Å; A774-H778 WeakPolarHBondContact O-CB 3.41Å; A774-H778 PolarHBondContact O-N 3.09Å; L775-H778 PolarHBondContact O-N 3.26Å; H778-K780 PolarHBondContact O-N 2.89Å; H778-Q781 WeakPolarHBondContact O-CB 3.39Å; H778-Q781 PolarHBondContact O-N 2.99Å; H778-Q781 VanDerWaalsContact O-N 3.09Å; H778-A784 WeakPolarHBondContact O-CB 3.26Å; H778-D785 PolarHBondContact NE2-N 3.31Å; H778-D785 VanDerWaalsContact NE2-N 3.18Å; H778-D785 PolarHBondContact NE2-O 3.38Å; H778-D785 VanDerWaalsContact NE2-O 3.15Å; H778-C789 PolarHBondContact CD2-SG 3.35Å; H778-Y792 HydrophobicContact CB-CE2 4.15Å
779R79.1Confident80Confident90 Ų9058.5 Ų58.534%0.3430%0.299SS..Hα-helixtrans-60-27.6174.3-84.9177.9151.3175.4-6.3114.2L775 L777 Q781 D822L775-R779 WeakPolarHBondContact O-CB 3.38Å; L775-R779 WeakPolarHBondContact O-CG 3.4Å; L775-R779 PolarHBondContact O-N 3.38Å; L777-R779 VanDerWaalsContact C-N 3.33Å; L777-R779 PolarHBondContact O-N 3.05Å; R779-Q781 VanDerWaalsContact C-N 3.31Å; R779-D822 IonicContact CZ-OD1 3.25Å; R779-D822 VanDerWaalsContact CZ-OD1 3.31Å; R779-D822 VanDerWaalsContact NH1-CG 3.3Å; R779-D822 IonicContact NH1-OD1 3.59Å; R779-D822 PolarHBondContact NH1-OD1 3.35Å; R779-D822 IonicContact NH1-OD2 2.69Å; R779-D822 PolarHBondContact NH2-O 3.32Å; R779-D822 IonicContact NH2-OD1 3.88Å; R779-D822 PolarHBondContact NH2-OD1 3.07Å
780K79.1Confident79.6Confident172 Ų17256 Ų5675%0.74829%0.289SS*.THydrogen-bonded Turntrans-82-9.5178.6-69.3172.4-176.81770112.9S776 L777 H778S776-K780 WeakPolarHBondContact O-CG 3.34Å; L777-K780 PolarHBondContact O-N 3.49Å; L777-K780 VanDerWaalsContact O-N 3.11Å; H778-K780 PolarHBondContact O-N 2.89Å
781Q78.2Confident79.4Confident84 Ų8461.7 Ų61.739%0.39331%0.314SS..SBendtrans-80.1140.1-179.7-65.1-178-0.200111.3H778 R779 Q783 A784H778-Q781 WeakPolarHBondContact O-CB 3.39Å; H778-Q781 PolarHBondContact O-N 2.99Å; H778-Q781 VanDerWaalsContact O-N 3.09Å; R779-Q781 VanDerWaalsContact C-N 3.31Å; Q781-Q783 PolarHBondContact O-N 3.49Å; Q781-Q783 VanDerWaalsContact O-N 3.12Å; Q781-A784 PolarHBondContact O-N 2.66Å
782P63.3Low79.2Confident138 Ų13861.4 Ų61.490%0.89631%0.312SS*.THydrogen-bonded Turntrans-68-10.8-175.824.4-32.3000114.8
783Q62.9Low79Confident182 Ų18256.4 Ų56.485%0.8529%0.293SS*.THydrogen-bonded Turntrans-131.256.1172.8-66.4-158.1-9.500111Q781 D785Q781-Q783 PolarHBondContact O-N 3.49Å; Q781-Q783 VanDerWaalsContact O-N 3.12Å; Q783-D785 PolarHBondContact O-N 2.82Å; Q783-D785 VanDerWaalsContact O-N 3.09Å
784A66.3Low79Confident40 Ų4057.8 Ų57.833%0.33130%0.297SS..  trans-63.8110.6177.500000110.9H778 Q781 P786H778-A784 WeakPolarHBondContact O-CB 3.26Å; Q781-A784 PolarHBondContact O-N 2.66Å; A784-P786 VanDerWaalsContact O-CD 3.26Å; A784-P786 WeakPolarHBondContact O-CD 3.39Å
785D73.3Confident79Confident64 Ų6459.9 Ų59.934%0.34231%0.311SS..  trans-67.8115.4172.5-178.9-6.4000110.1H778 Q783 T787 H788H778-D785 PolarHBondContact NE2-N 3.31Å; H778-D785 VanDerWaalsContact NE2-N 3.18Å; H778-D785 PolarHBondContact NE2-O 3.38Å; H778-D785 VanDerWaalsContact NE2-O 3.15Å; Q783-D785 PolarHBondContact O-N 2.82Å; Q783-D785 VanDerWaalsContact O-N 3.09Å; D785-T787 PolarHBondContact O-N 2.85Å; D785-T787 WeakPolarHBondContact OD1-CB 3.34Å; D785-T787 WeakPolarHBondContact OD1-CG2 3.37Å; D785-T787 PolarHBondContact OD1-N 3.05Å; D785-T787 PolarHBondContact OD1-OG1 3.41Å; D785-T787 PolarHBondContact OD2-OG1 2.78Å; D785-H788 PolarHBondContact O-N 2.8Å; D785-H788 IonicContact OD2-CD2 3.27Å
786P73Confident79Confident24 Ų2459.6 Ų59.616%0.15631%0.31CS..Hα-helixtrans-61.8-21.2179.822.4-30.8000113.4A784 S790 A830 G833A784-P786 VanDerWaalsContact O-CD 3.26Å; A784-P786 WeakPolarHBondContact O-CD 3.39Å; P786-S790 VanDerWaalsContact O-CB 3.32Å; P786-S790 WeakPolarHBondContact O-CB 3.37Å; P786-S790 PolarHBondContact O-N 3.15Å; P786-A830 HydrophobicContact CB-CB 4.25Å; P786-A830 HydrophobicContact CG-CB 4.25Å; P786-G833 WeakPolarHBondContact CG-O 3.21Å
787T76.6Confident79.1Confident47 Ų4756.8 Ų56.829%0.28829%0.29SS..Hα-helixtrans-72.2-30.5177.273.20000113.1D785 S790 K791 P835D785-T787 PolarHBondContact O-N 2.85Å; D785-T787 WeakPolarHBondContact OD1-CB 3.34Å; D785-T787 WeakPolarHBondContact OD1-CG2 3.37Å; D785-T787 PolarHBondContact OD1-N 3.05Å; D785-T787 PolarHBondContact OD1-OG1 3.41Å; D785-T787 PolarHBondContact OD2-OG1 2.78Å; T787-S790 WeakPolarHBondContact O-CB 3.21Å; T787-K791 WeakPolarHBondContact O-CG 3.35Å; T787-K791 PolarHBondContact O-N 3.31Å; T787-P835 HydrophobicContact CG2-CG 4.47Å
788H77.8Confident79.2Confident60 Ų6061.1 Ų61.128%0.27831%0.307SS..Hα-helixtrans-73.7-43.8173.6-88.8-85.1000111.4E750 D785 S790 K791 Y792E750-H788 IonicContact OE1-CE1 2.65Å; E750-H788 IonicContact OE1-ND1 3.27Å; E750-H788 PolarHBondContact OE1-ND1 2.61Å; D785-H788 PolarHBondContact O-N 2.8Å; D785-H788 IonicContact OD2-CD2 3.27Å; H788-S790 VanDerWaalsContact C-N 3.29Å; H788-S790 PolarHBondContact O-N 3.15Å; H788-K791 PolarHBondContact O-N 3.03Å; H788-K791 VanDerWaalsContact O-N 3.17Å; H788-Y792 HydrophobicContact CB-CE2 4.38Å; H788-Y792 WeakPolarHBondContact O-CD2 3.5Å; H788-Y792 PolarHBondContact O-N 3.41Å; H788-Y792 VanDerWaalsContact O-N 3.11Å
789C79.2Confident79.3Confident4 Ų463 Ų633%0.02732%0.317CS..Hα-helixtrans-56.6-43.7172.6-740000112L775 H778 K791 Y792 V793 I826L775-C789 HydrophobicContact CD1-CB 3.99Å; H778-C789 PolarHBondContact CD2-SG 3.35Å; C789-K791 PolarHBondContact O-N 2.73Å; C789-Y792 PolarHBondContact O-N 3.49Å; C789-V793 WeakPolarHBondContact O-CG2 3.45Å; C789-V793 PolarHBondContact O-N 3.47Å; C789-I826 HydrophobicContact CB-CD1 4.01Å; C789-I826 HydrophobicContact CB-CG2 4.02Å
790S82.1Confident79.5Confident6 Ų658.9 Ų58.94%0.04230%0.302CS..Hα-helixtrans-53.4-49.9173.8161.10000111.8P786 T787 H788 Y792 V793 H794 F834 E838P786-S790 VanDerWaalsContact O-CB 3.32Å; P786-S790 WeakPolarHBondContact O-CB 3.37Å; P786-S790 PolarHBondContact O-N 3.15Å; T787-S790 WeakPolarHBondContact O-CB 3.21Å; H788-S790 VanDerWaalsContact C-N 3.29Å; H788-S790 PolarHBondContact O-N 3.15Å; S790-Y792 PolarHBondContact O-N 3.09Å; S790-V793 PolarHBondContact O-N 3.14Å; S790-H794 VanDerWaalsContact O-CB 3.23Å; S790-H794 WeakPolarHBondContact O-CB 3.38Å; S790-H794 PolarHBondContact O-N 2.9Å; S790-F834 VanDerWaalsContact CB-CE2 3.48Å; S790-E838 WeakPolarHBondContact OG-CG 3.41Å
791K83.8Confident79.7Confident120 Ų12053 Ų5352%0.52228%0.278SS..Hα-helixtrans-63.1-39.1179.1-69.9170.4-175.1169.60113.5T787 H788 C789 S795T787-K791 WeakPolarHBondContact O-CG 3.35Å; T787-K791 PolarHBondContact O-N 3.31Å; H788-K791 PolarHBondContact O-N 3.03Å; H788-K791 VanDerWaalsContact O-N 3.17Å; C789-K791 PolarHBondContact O-N 2.73Å; K791-S795 WeakPolarHBondContact O-CB 3.5Å; K791-S795 PolarHBondContact O-N 3.03Å; K791-S795 PolarHBondContact O-OG 3.05Å
792Y86.1Confident79.5Confident7 Ų750.4 Ų50.43%0.02727%0.269CS..Hα-helixtrans-67.5-48.4178.4-55.9-30.7000111.3E750 L771 A774 L775 H778 H788 C789 S790 S795 L796E750-Y792 HydrophobicContact CG-CE1 3.67Å; E750-Y792 VanDerWaalsContact OE1-CE1 3.28Å; E750-Y792 WeakPolarHBondContact OE1-CE1 3.34Å; E750-Y792 PolarHBondContact OE1-OH 3.44Å; L771-Y792 HydrophobicContact CD2-CD1 4.14Å; A774-Y792 HydrophobicContact CB-CE2 4.4Å; L775-Y792 HydrophobicContact CB-CD2 4.06Å; L775-Y792 HydrophobicContact CD1-CD2 4Å; H778-Y792 HydrophobicContact CB-CE2 4.15Å; H788-Y792 HydrophobicContact CB-CE2 4.38Å; H788-Y792 WeakPolarHBondContact O-CD2 3.5Å; H788-Y792 PolarHBondContact O-N 3.41Å; H788-Y792 VanDerWaalsContact O-N 3.11Å; C789-Y792 PolarHBondContact O-N 3.49Å; S790-Y792 PolarHBondContact O-N 3.09Å; Y792-S795 PolarHBondContact O-N 3.2Å; Y792-L796 WeakPolarHBondContact O-CB 3.47Å; Y792-L796 VanDerWaalsContact O-CG 3.29Å; Y792-L796 WeakPolarHBondContact O-CG 3.24Å; Y792-L796 PolarHBondContact O-N 3.17Å
793V84.6Confident79.5Confident2 Ų248.9 Ų48.91%0.01226%0.262CS..Hα-helixtrans-63.5-42.7178.8173.60000110.7L775 C789 S790 S795 L796 I797 A823 I826L775-V793 HydrophobicContact CD1-CG2 4.11Å; L775-V793 HydrophobicContact CD2-CG2 3.73Å; C789-V793 WeakPolarHBondContact O-CG2 3.45Å; C789-V793 PolarHBondContact O-N 3.47Å; S790-V793 PolarHBondContact O-N 3.14Å; V793-S795 VanDerWaalsContact C-N 3.32Å; V793-S795 PolarHBondContact O-N 3.22Å; V793-L796 PolarHBondContact O-N 3.39Å; V793-I797 HydrophobicContact CG1-CD1 3.63Å; V793-I797 HydrophobicContact CG1-CG1 4.29Å; V793-I797 WeakPolarHBondContact O-CB 3.42Å; V793-I797 VanDerWaalsContact O-CG1 3.3Å; V793-I797 WeakPolarHBondContact O-CG1 3.46Å; V793-I797 PolarHBondContact O-N 3.34Å; V793-A823 HydrophobicContact CG1-CB 3.77Å; V793-I826 HydrophobicContact CG2-CD1 3.93Å
794H87.9Confident79.6Confident45 Ų4541.5 Ų41.521%0.20824%0.235CC..Hα-helixtrans-53.1-50.1172.2-175.595000111.7S790 I797 K798 E838 W841S790-H794 VanDerWaalsContact O-CB 3.23Å; S790-H794 WeakPolarHBondContact O-CB 3.38Å; S790-H794 PolarHBondContact O-N 2.9Å; H794-I797 PolarHBondContact O-N 3.37Å; H794-K798 VanDerWaalsContact O-CB 3.23Å; H794-K798 WeakPolarHBondContact O-CB 3.38Å; H794-K798 PolarHBondContact O-N 2.96Å; H794-E838 VanDerWaalsContact CB-OE1 3.3Å; H794-E838 WeakPolarHBondContact CB-OE1 3.37Å; H794-E838 IonicContact CE1-OE1 3.62Å; H794-E838 IonicContact CE1-OE2 2.68Å; H794-E838 IonicContact CG-OE1 3.1Å; H794-E838 IonicContact ND1-OE1 3.44Å; H794-E838 PolarHBondContact ND1-OE1 2.91Å; H794-E838 IonicContact ND1-OE2 3.77Å; H794-E838 PolarHBondContact ND1-OE2 3.4Å; H794-W841 HydrophobicContact CB-CZ3 4.48Å; H794-W841 AromaticContact CE1-CD2 3.63Å; H794-W841 AromaticContact CE1-CE2 3.45Å; H794-W841 VanDerWaalsContact CE1-CE2 3.45Å; H794-W841 AromaticContact CE1-CE3 3.87Å; H794-W841 AromaticContact CE1-CH2 3.8Å; H794-W841 AromaticContact CE1-CZ2 3.55Å; H794-W841 AromaticContact CE1-CZ3 3.95Å; H794-W841 AromaticContact CE1-NE1 3.96Å; H794-W841 AromaticContact ND1-CD2 3.71Å; H794-W841 AromaticContact ND1-CE2 3.9Å; H794-W841 AromaticContact ND1-CE3 3.46Å; H794-W841 AromaticContact ND1-CH2 3.69Å; H794-W841 AromaticContact ND1-CZ2 3.92Å; H794-W841 AromaticContact ND1-CZ3 3.46Å; H794-W841 WeakPolarHBondContact ND1-CZ3 3.18Å
795S86.9Confident79.4Confident45 Ų4543.9 Ų43.932%0.31525%0.245SC..Hα-helixtrans-66.9-40.5-178.3-57.90000111.9K791 Y792 V793 K798 L799K791-S795 WeakPolarHBondContact O-CB 3.5Å; K791-S795 PolarHBondContact O-N 3.03Å; K791-S795 PolarHBondContact O-OG 3.05Å; Y792-S795 PolarHBondContact O-N 3.2Å; V793-S795 VanDerWaalsContact C-N 3.32Å; V793-S795 PolarHBondContact O-N 3.22Å; S795-K798 PolarHBondContact O-N 3.49Å; S795-L799 WeakPolarHBondContact O-CB 3.23Å; S795-L799 WeakPolarHBondContact O-CD1 3.16Å; S795-L799 WeakPolarHBondContact O-CG 3.21Å; S795-L799 PolarHBondContact O-N 3.06Å
796L87.1Confident78.6Confident0 Ų046.4 Ų46.40%027%0.268CS..Hα-helixtrans-62.1-47.5175.6-75.2169.6000111.9K768 L771 R772 L775 Y792 V793 L799 S800 Y819K768-L796 HydrophobicContact CB-CD2 4.07Å; K768-L796 HydrophobicContact CG-CD2 4.18Å; L771-L796 HydrophobicContact CB-CD1 4.36Å; L771-L796 HydrophobicContact CB-CD2 3.7Å; L771-L796 HydrophobicContact CB-CG 3.92Å; L771-L796 HydrophobicContact CD1-CD2 4.27Å; L771-L796 HydrophobicContact CD1-CG 4.35Å; R772-L796 HydrophobicContact CG-CD1 4.13Å; R772-L796 HydrophobicContact CG-CD2 3.98Å; L775-L796 HydrophobicContact CD2-CD1 4.25Å; Y792-L796 WeakPolarHBondContact O-CB 3.47Å; Y792-L796 VanDerWaalsContact O-CG 3.29Å; Y792-L796 WeakPolarHBondContact O-CG 3.24Å; Y792-L796 PolarHBondContact O-N 3.17Å; V793-L796 PolarHBondContact O-N 3.39Å; L796-L799 PolarHBondContact O-N 3.26Å; L796-S800 WeakPolarHBondContact O-CB 3.45Å; L796-S800 PolarHBondContact O-N 3.46Å; L796-S800 VanDerWaalsContact O-N 3.11Å; L796-S800 PolarHBondContact O-OG 3.41Å; L796-Y819 HydrophobicContact CB-CD1 4.28Å; L796-Y819 HydrophobicContact CB-CD2 4.08Å; L796-Y819 HydrophobicContact CB-CE1 4.15Å; L796-Y819 HydrophobicContact CB-CE2 3.94Å; L796-Y819 HydrophobicContact CB-CG 4.25Å; L796-Y819 HydrophobicContact CD1-CD1 4.16Å; L796-Y819 HydrophobicContact CD1-CE1 3.88Å; L796-Y819 HydrophobicContact CD2-CE1 4.26Å; L796-Y819 HydrophobicContact CG-CE1 4.33Å
797I87.1Confident78.1Confident0 Ų049.7 Ų49.70%028%0.281CS..Hα-helixtrans-62.1-50.2176.6-68.8169.5000109.3V793 H794 L799 S800 L801 L816 Y819 F820 W841 L842V793-I797 HydrophobicContact CG1-CD1 3.63Å; V793-I797 HydrophobicContact CG1-CG1 4.29Å; V793-I797 WeakPolarHBondContact O-CB 3.42Å; V793-I797 VanDerWaalsContact O-CG1 3.3Å; V793-I797 WeakPolarHBondContact O-CG1 3.46Å; V793-I797 PolarHBondContact O-N 3.34Å; H794-I797 PolarHBondContact O-N 3.37Å; I797-L799 VanDerWaalsContact C-N 3.28Å; I797-L799 PolarHBondContact O-N 3.41Å; I797-S800 CarbonylContact O-C 3.43Å; I797-S800 PolarHBondContact O-N 3.47Å; I797-L801 HydrophobicContact CG2-CD1 4.18Å; I797-L801 HydrophobicContact CG2-CD2 4.36Å; I797-L801 HydrophobicContact CG2-CG 4.03Å; I797-L801 WeakPolarHBondContact O-CG 3.45Å; I797-L801 PolarHBondContact O-N 2.98Å; I797-L816 HydrophobicContact CG2-CD2 4.26Å; I797-Y819 HydrophobicContact CG1-CD2 4.34Å; I797-Y819 HydrophobicContact CG1-CG 4.44Å; I797-F820 HydrophobicContact CD1-CD1 4.16Å; I797-F820 HydrophobicContact CD1-CD2 4.24Å; I797-F820 HydrophobicContact CD1-CE1 4.06Å; I797-F820 HydrophobicContact CD1-CE2 4.14Å; I797-F820 HydrophobicContact CD1-CG 4.24Å; I797-F820 HydrophobicContact CD1-CZ 4.05Å; I797-F820 HydrophobicContact CG1-CE2 4.29Å; I797-F820 HydrophobicContact CG2-CE2 3.83Å; I797-F820 HydrophobicContact CG2-CZ 3.73Å; I797-W841 HydrophobicContact CB-CH2 4.03Å; I797-W841 HydrophobicContact CB-CZ3 4.29Å; I797-W841 HydrophobicContact CD1-CZ3 4.41Å; I797-W841 HydrophobicContact CG2-CH2 3.66Å; I797-W841 HydrophobicContact CG2-CZ3 4.06Å; I797-L842 HydrophobicContact CD1-CD2 3.31Å
798K86.3Confident77.8Confident142 Ų14248.7 Ų48.762%0.61728%0.275SS*.Hα-helixtrans-57.4-38.3179.5-173.6178.4179.4-179.30113.1H794 S795 S800H794-K798 VanDerWaalsContact O-CB 3.23Å; H794-K798 WeakPolarHBondContact O-CB 3.38Å; H794-K798 PolarHBondContact O-N 2.96Å; S795-K798 PolarHBondContact O-N 3.49Å; K798-S800 VanDerWaalsContact C-N 3.31Å
799L85.1Confident77.7Confident50 Ų5051.7 Ų51.726%0.26229%0.289SS..Hα-helixtrans-74.9-17.7176.3-71.7168000113.6M757 C767 K768 L771 S795 L796 I797M757-L799 HydrophobicContact CE-CD2 3.9Å; C767-L799 HydrophobicContact CB-CD1 4.15Å; C767-L799 VanDerWaalsContact SG-CD1 3.52Å; K768-L799 VanDerWaalsContact CE-C 3.45Å; K768-L799 WeakPolarHBondContact CE-O 3.44Å; K768-L799 HydrophobicContact CG-CB 4.17Å; K768-L799 HydrophobicContact CG-CD1 4.22Å; K768-L799 PolarHBondContact NZ-O 2.9Å; L771-L799 HydrophobicContact CD1-CD1 4.08Å; S795-L799 WeakPolarHBondContact O-CB 3.23Å; S795-L799 WeakPolarHBondContact O-CD1 3.16Å; S795-L799 WeakPolarHBondContact O-CG 3.21Å; S795-L799 PolarHBondContact O-N 3.06Å; L796-L799 PolarHBondContact O-N 3.26Å; I797-L799 VanDerWaalsContact C-N 3.28Å; I797-L799 PolarHBondContact O-N 3.41Å
800S83.7Confident77.5Confident4 Ų456.3 Ų56.33%0.02832%0.321CS..Hα-helixtrans-103.4-13.4179.1-690000113.7K768 L796 I797 K798 V812 E815 L816K768-S800 WeakPolarHBondContact CE-OG 3.31Å; K768-S800 PolarHBondContact NZ-OG 3.27Å; L796-S800 WeakPolarHBondContact O-CB 3.45Å; L796-S800 PolarHBondContact O-N 3.46Å; L796-S800 VanDerWaalsContact O-N 3.11Å; L796-S800 PolarHBondContact O-OG 3.41Å; I797-S800 CarbonylContact O-C 3.43Å; I797-S800 PolarHBondContact O-N 3.47Å; K798-S800 VanDerWaalsContact C-N 3.31Å; S800-V812 WeakPolarHBondContact O-CG1 3.3Å; S800-E815 PolarHBondContact OG-OE1 3.47Å; S800-L816 VanDerWaalsContact CB-CD2 3.48Å; S800-L816 WeakPolarHBondContact O-CD1 3.24Å
801L82.1Confident77.2Confident48 Ų4866.2 Ų66.225%0.25136%0.357SS..SBendtrans-61.6130.3178.9-80.6171.8000110.7I797 S803 L816 W841 Q845I797-L801 HydrophobicContact CG2-CD1 4.18Å; I797-L801 HydrophobicContact CG2-CD2 4.36Å; I797-L801 HydrophobicContact CG2-CG 4.03Å; I797-L801 WeakPolarHBondContact O-CG 3.45Å; I797-L801 PolarHBondContact O-N 2.98Å; L801-S803 PolarHBondContact O-N 3.36Å; L801-L816 HydrophobicContact CD2-CD2 4.32Å; L801-L816 HydrophobicContact CG-CD2 4.45Å; L801-W841 HydrophobicContact CD1-CZ2 4.44Å; L801-Q845 HydrophobicContact CD1-CG 4.31Å
802P74Confident76.9Confident31 Ų3162.2 Ų62.220%0.20134%0.343CS..  trans-65.5131.3176.5-15.129000110G804 E807 V808P802-G804 VanDerWaalsContact C-N 3.28Å; P802-E807 HydrophobicContact CB-CB 4.11Å; P802-V808 HydrophobicContact CB-CG2 4.13Å; P802-V808 HydrophobicContact CG-CG2 4.26Å
803S63.1Low76.6Confident106 Ų10662.8 Ų62.874%0.74135%0.346SS*.SBendtrans-82.1-8.7178.371.10000113.1L801 E807L801-S803 PolarHBondContact O-N 3.36Å; S803-E807 WeakPolarHBondContact CB-OE2 3.25Å; S803-E807 PolarHBondContact N-OE2 3.43Å; S803-E807 PolarHBondContact OG-OE1 2.89Å; S803-E807 PolarHBondContact OG-OE2 3.35Å
804G65.1Low76.6Confident27 Ų2767.8 Ų67.828%0.27837%0.37SS..SBendtrans-169.2177.5176.100000113.7P802 S806 E807P802-G804 VanDerWaalsContact C-N 3.28Å; G804-S806 PolarHBondContact O-N 2.91Å; G804-E807 PolarHBondContact O-N 2.69Å
805V62Low76.3Confident89 Ų8967.4 Ų67.454%0.53937%0.368SS..G310 helixtrans-61.5-26.4-175.8-172.80000112.7L852 L856V805-L852 HydrophobicContact CG2-CD1 4.22Å; V805-L856 HydrophobicContact CG1-CD1 4.28Å; V805-L856 HydrophobicContact CG1-CD2 3.25Å; V805-L856 HydrophobicContact CG1-CG 3.99Å
806S58Low76.3Confident118 Ų11865.4 Ų65.483%0.82535%0.354SS*.G310 helixtrans-80.5-10.1-17950.20000115.2G804G804-S806 PolarHBondContact O-N 2.91Å
807E61.8Low76.2Confident93 Ų9367.6 Ų67.644%0.43536%0.362SS..G310 helixtrans-104.69.3-175.9-66.6-178.8166.600113.1P802 S803 G804 E809P802-E807 HydrophobicContact CB-CB 4.11Å; S803-E807 WeakPolarHBondContact CB-OE2 3.25Å; S803-E807 PolarHBondContact N-OE2 3.43Å; S803-E807 PolarHBondContact OG-OE1 2.89Å; S803-E807 PolarHBondContact OG-OE2 3.35Å; G804-E807 PolarHBondContact O-N 2.69Å; E807-E809 PolarHBondContact O-N 3.12Å
808V69.9Low76.3Confident26 Ų2671 Ų7116%0.15838%0.38CS..  trans-84.182.9-177-174.90000110.1P802 L813 L852 L853 L856P802-V808 HydrophobicContact CB-CG2 4.13Å; P802-V808 HydrophobicContact CG-CG2 4.26Å; V808-L813 HydrophobicContact CG1-CD1 3.74Å; V808-L813 HydrophobicContact CG1-CD2 4.26Å; V808-L813 HydrophobicContact CG1-CG 4.18Å; V808-L852 HydrophobicContact CG2-CD2 3.92Å; V808-L852 HydrophobicContact CG2-CG 4.49Å; V808-L853 HydrophobicContact CG1-CD2 3.85Å; V808-L856 HydrophobicContact CB-CD1 3.87Å; V808-L856 HydrophobicContact CG1-CD1 3.89Å; V808-L856 HydrophobicContact CG2-CD1 3.74Å
809E75.7Confident76.4Confident123 Ų12364.6 Ų64.658%0.57535%0.352SS*.  trans-96.3141.9172.9-67.5-173.6-178.700112E807 R811 V812 L813E807-E809 PolarHBondContact O-N 3.12Å; E809-R811 PolarHBondContact O-N 3.13Å; E809-V812 HydrophobicContact CB-CB 4.45Å; E809-V812 HydrophobicContact CB-CG2 4.11Å; E809-V812 PolarHBondContact O-N 3.39Å; E809-L813 PolarHBondContact O-N 3.33Å
810S74.4Confident76.5Confident101 Ų10162.3 Ų62.371%0.70634%0.34SS*.Hα-helixtrans-56.9-34.1179.4171.30000113.4Q814S810-Q814 PolarHBondContact O-N 2.94Å
811R76.1Confident76.7Confident213 Ų21366.8 Ų66.880%0.80436%0.361SS*.Hα-helixtrans-68.4-39.9176.9-68.1-178.3178-175.1-0.3112.6E809 Q814 E815E809-R811 PolarHBondContact O-N 3.13Å; R811-Q814 PolarHBondContact O-N 3.15Å; R811-E815 WeakPolarHBondContact O-CB 3.16Å; R811-E815 PolarHBondContact O-N 3.45Å
812V78.5Confident76.8Confident37 Ų3766.9 Ų66.922%0.22436%0.362CS..Hα-helixtrans-70.5-38.7178.71780000110.5S800 E809 E815 L816S800-V812 WeakPolarHBondContact O-CG1 3.3Å; E809-V812 HydrophobicContact CB-CB 4.45Å; E809-V812 HydrophobicContact CB-CG2 4.11Å; E809-V812 PolarHBondContact O-N 3.39Å; V812-E815 PolarHBondContact O-N 2.93Å; V812-L816 HydrophobicContact CG1-CD1 4.08Å; V812-L816 WeakPolarHBondContact O-CB 3.46Å; V812-L816 WeakPolarHBondContact O-CG 3.44Å; V812-L816 PolarHBondContact O-N 3.38Å
813L79.9Confident77.4Confident18 Ų1865.4 Ų65.49%0.09435%0.352CS..Hα-helixtrans-63.4-42.5173.8-69.9173.7000112.2V808 E809 L816 W817 L853 W865V808-L813 HydrophobicContact CG1-CD1 3.74Å; V808-L813 HydrophobicContact CG1-CD2 4.26Å; V808-L813 HydrophobicContact CG1-CG 4.18Å; E809-L813 PolarHBondContact O-N 3.33Å; L813-L816 PolarHBondContact O-N 3.42Å; L813-W817 WeakPolarHBondContact O-CB 3.32Å; L813-W817 PolarHBondContact O-N 3.44Å; L813-L853 HydrophobicContact CD1-CD2 3.7Å; L813-L853 HydrophobicContact CD2-CD1 4.38Å; L813-L853 HydrophobicContact CD2-CD2 4.25Å; L813-W865 HydrophobicContact CD2-CZ2 4.46Å; L813-W865 WeakPolarHBondContact O-CZ2 3.49Å
814Q83Confident78.4Confident107 Ų10761.6 Ų61.650%0.532%0.323SS..Hα-helixtrans-63.4-45.7175.4-174.162.548.100111.3S810 R811 L816 W817 D818S810-Q814 PolarHBondContact O-N 2.94Å; R811-Q814 PolarHBondContact O-N 3.15Å; Q814-L816 VanDerWaalsContact C-N 3.34Å; Q814-L816 PolarHBondContact O-N 2.92Å; Q814-W817 WeakPolarHBondContact O-CB 3.24Å; Q814-W817 PolarHBondContact O-N 3.42Å; Q814-D818 PolarHBondContact NE2-OD1 3.47Å; Q814-D818 PolarHBondContact O-N 3.43Å
815E83.6Confident79.4Confident37 Ų3763.6 Ų63.617%0.17333%0.333CS..Hα-helixtrans-60.8-42.5177.1-170-161.5149.400112.3R772 S800 R811 V812 D818 Y819R772-E815 IonicContact CZ-OE1 3Å; R772-E815 IonicContact NH2-OE1 2.64Å; R772-E815 PolarHBondContact NH2-OE1 2.85Å; R772-E815 IonicContact NH2-OE2 3.1Å; S800-E815 PolarHBondContact OG-OE1 3.47Å; R811-E815 WeakPolarHBondContact O-CB 3.16Å; R811-E815 PolarHBondContact O-N 3.45Å; V812-E815 PolarHBondContact O-N 2.93Å; E815-D818 PolarHBondContact O-N 2.85Å; E815-Y819 HydrophobicContact CG-CE2 3.87Å; E815-Y819 VanDerWaalsContact O-CD2 3.32Å; E815-Y819 WeakPolarHBondContact O-CD2 3.4Å; E815-Y819 PolarHBondContact O-N 2.91Å; E815-Y819 WeakPolarHBondContact OE1-CE2 3.26Å; E815-Y819 PolarHBondContact OE1-OH 3.2Å
816L84.9Confident80.3Confident3 Ų360 Ų602%0.01631%0.31CS..Hα-helixtrans-60.8-46.9173.9-82.8162.5000111.2I797 S800 L801 V812 L813 Q814 D818 Y819 F820 W865I797-L816 HydrophobicContact CG2-CD2 4.26Å; S800-L816 VanDerWaalsContact CB-CD2 3.48Å; S800-L816 WeakPolarHBondContact O-CD1 3.24Å; L801-L816 HydrophobicContact CD2-CD2 4.32Å; L801-L816 HydrophobicContact CG-CD2 4.45Å; V812-L816 HydrophobicContact CG1-CD1 4.08Å; V812-L816 WeakPolarHBondContact O-CB 3.46Å; V812-L816 WeakPolarHBondContact O-CG 3.44Å; V812-L816 PolarHBondContact O-N 3.38Å; L813-L816 PolarHBondContact O-N 3.42Å; Q814-L816 VanDerWaalsContact C-N 3.34Å; Q814-L816 PolarHBondContact O-N 2.92Å; L816-D818 VanDerWaalsContact C-N 3.3Å; L816-D818 PolarHBondContact O-N 2.88Å; L816-Y819 WeakPolarHBondContact O-CB 2.97Å; L816-Y819 PolarHBondContact O-N 3.29Å; L816-Y819 VanDerWaalsContact O-N 3.12Å; L816-F820 HydrophobicContact CD2-CE2 4.49Å; L816-F820 VanDerWaalsContact O-CD2 3.23Å; L816-F820 WeakPolarHBondContact O-CD2 3.35Å; L816-F820 PolarHBondContact O-N 2.63Å; L816-F820 VanDerWaalsContact O-N 3.09Å; L816-W865 HydrophobicContact CB-CH2 3.76Å; L816-W865 HydrophobicContact CB-CZ2 4.19Å
817W86.9Confident81.6Confident46 Ų4654.5 Ų54.517%0.17427%0.272CS..Hα-helixtrans-55.3-47.9178.7-177.6-83.8000111L813 Q814 Y819 F820 E821 K864 W865 L868L813-W817 WeakPolarHBondContact O-CB 3.32Å; L813-W817 PolarHBondContact O-N 3.44Å; Q814-W817 WeakPolarHBondContact O-CB 3.24Å; Q814-W817 PolarHBondContact O-N 3.42Å; W817-Y819 VanDerWaalsContact C-N 3.27Å; W817-Y819 PolarHBondContact O-N 3.31Å; W817-F820 PolarHBondContact O-N 3.44Å; W817-E821 PolarHBondContact NE1-OE1 2.88Å; W817-E821 PolarHBondContact O-N 2.9Å; W817-K864 HydrophobicContact CH2-CB 4Å; W817-K864 HydrophobicContact CZ3-CB 3.96Å; W817-W865 HydrophobicContact CB-CH2 4.28Å; W817-W865 HydrophobicContact CB-CZ2 3.99Å; W817-W865 HydrophobicContact CE3-CD2 4.02Å; W817-W865 AromaticContact CE3-CE2 3.73Å; W817-W865 HydrophobicContact CE3-CE3 4.47Å; W817-W865 HydrophobicContact CE3-CG 4.41Å; W817-W865 HydrophobicContact CE3-CH2 4.37Å; W817-W865 AromaticContact CE3-CZ2 3.95Å; W817-W865 HydrophobicContact CE3-CZ2 3.95Å; W817-W865 AromaticContact CE3-NE1 3.92Å; W817-W865 HydrophobicContact CZ3-CD2 4.23Å; W817-W865 HydrophobicContact CZ3-CG 4.24Å; W817-L868 HydrophobicContact CD2-CD2 4.2Å; W817-L868 HydrophobicContact CE3-CD2 3.74Å; W817-L868 HydrophobicContact CH2-CB 3.85Å; W817-L868 HydrophobicContact CH2-CD1 4.23Å; W817-L868 HydrophobicContact CH2-CD2 4.04Å; W817-L868 HydrophobicContact CH2-CG 4.27Å; W817-L868 HydrophobicContact CZ2-CD1 4.29Å; W817-L868 HydrophobicContact CZ2-CD2 4.46Å; W817-L868 HydrophobicContact CZ3-CB 3.9Å; W817-L868 HydrophobicContact CZ3-CD2 3.67Å; W817-L868 HydrophobicContact CZ3-CG 4.3Å
818D87.3Confident82.6Confident71 Ų7153.3 Ų53.338%0.3827%0.274SS..Hα-helixtrans-57.6-38.9178.3-60.2-15.8000111.5Q814 E815 L816 E821 D822Q814-D818 PolarHBondContact NE2-OD1 3.47Å; Q814-D818 PolarHBondContact O-N 3.43Å; E815-D818 PolarHBondContact O-N 2.85Å; L816-D818 VanDerWaalsContact C-N 3.3Å; L816-D818 PolarHBondContact O-N 2.88Å; D818-E821 PolarHBondContact O-N 3.07Å; D818-D822 WeakPolarHBondContact O-CB 3.49Å; D818-D822 PolarHBondContact O-N 2.89Å
819Y88.8Confident83.1Confident9 Ų956.1 Ų56.14%0.03530%0.3CS..Hα-helixtrans-68.9-36.3175.3-61.2-40000114R772 L796 I797 E815 L816 W817 D822 A823R772-Y819 HydrophobicContact CG-CE1 4.11Å; R772-Y819 PolarHBondContact NE-OH 2.98Å; R772-Y819 PolarHBondContact NH2-OH 3.02Å; L796-Y819 HydrophobicContact CB-CD1 4.28Å; L796-Y819 HydrophobicContact CB-CD2 4.08Å; L796-Y819 HydrophobicContact CB-CE1 4.15Å; L796-Y819 HydrophobicContact CB-CE2 3.94Å; L796-Y819 HydrophobicContact CB-CG 4.25Å; L796-Y819 HydrophobicContact CD1-CD1 4.16Å; L796-Y819 HydrophobicContact CD1-CE1 3.88Å; L796-Y819 HydrophobicContact CD2-CE1 4.26Å; L796-Y819 HydrophobicContact CG-CE1 4.33Å; I797-Y819 HydrophobicContact CG1-CD2 4.34Å; I797-Y819 HydrophobicContact CG1-CG 4.44Å; E815-Y819 HydrophobicContact CG-CE2 3.87Å; E815-Y819 VanDerWaalsContact O-CD2 3.32Å; E815-Y819 WeakPolarHBondContact O-CD2 3.4Å; E815-Y819 PolarHBondContact O-N 2.91Å; E815-Y819 WeakPolarHBondContact OE1-CE2 3.26Å; E815-Y819 PolarHBondContact OE1-OH 3.2Å; L816-Y819 WeakPolarHBondContact O-CB 2.97Å; L816-Y819 PolarHBondContact O-N 3.29Å; L816-Y819 VanDerWaalsContact O-N 3.12Å; W817-Y819 VanDerWaalsContact C-N 3.27Å; W817-Y819 PolarHBondContact O-N 3.31Å; Y819-D822 WeakPolarHBondContact O-CB 3.19Å; Y819-D822 PolarHBondContact O-N 3.45Å; Y819-A823 PolarHBondContact O-N 3.07Å
820F87.7Confident83Confident1 Ų151.8 Ų51.80%0.00429%0.285CS..Hα-helixtrans-69.5-36.6175.1-81.2-82.5000111.5I797 L816 W817 A823 L824 L842 Q845 A846 W865 L868 F872I797-F820 HydrophobicContact CD1-CD1 4.16Å; I797-F820 HydrophobicContact CD1-CD2 4.24Å; I797-F820 HydrophobicContact CD1-CE1 4.06Å; I797-F820 HydrophobicContact CD1-CE2 4.14Å; I797-F820 HydrophobicContact CD1-CG 4.24Å; I797-F820 HydrophobicContact CD1-CZ 4.05Å; I797-F820 HydrophobicContact CG1-CE2 4.29Å; I797-F820 HydrophobicContact CG2-CE2 3.83Å; I797-F820 HydrophobicContact CG2-CZ 3.73Å; L816-F820 HydrophobicContact CD2-CE2 4.49Å; L816-F820 VanDerWaalsContact O-CD2 3.23Å; L816-F820 WeakPolarHBondContact O-CD2 3.35Å; L816-F820 PolarHBondContact O-N 2.63Å; L816-F820 VanDerWaalsContact O-N 3.09Å; W817-F820 PolarHBondContact O-N 3.44Å; F820-A823 WeakPolarHBondContact O-CB 3.42Å; F820-A823 PolarHBondContact O-N 2.82Å; F820-L824 WeakPolarHBondContact O-CG 3.42Å; F820-L824 PolarHBondContact O-N 2.67Å; F820-L842 HydrophobicContact CD1-CB 4.44Å; F820-L842 HydrophobicContact CD1-CD2 3.98Å; F820-L842 HydrophobicContact CE1-CB 4.17Å; F820-L842 HydrophobicContact CE1-CD2 3.75Å; F820-L842 WeakPolarHBondContact CE1-O 3.48Å; F820-Q845 HydrophobicContact CE1-CB 4.29Å; F820-Q845 HydrophobicContact CZ-CB 3.82Å; F820-A846 HydrophobicContact CD1-CB 4.18Å; F820-A846 HydrophobicContact CE1-CB 3.92Å; F820-A846 HydrophobicContact CZ-CB 4.35Å; F820-W865 AromaticContact CD2-CH2 3.76Å; F820-W865 HydrophobicContact CD2-CH2 3.76Å; F820-W865 AromaticContact CD2-CZ3 3.52Å; F820-W865 HydrophobicContact CD2-CZ3 3.52Å; F820-W865 HydrophobicContact CE2-CH2 4.02Å; F820-W865 AromaticContact CE2-CZ3 3.62Å; F820-W865 HydrophobicContact CE2-CZ3 3.62Å; F820-W865 HydrophobicContact CG-CZ3 4.28Å; F820-W865 HydrophobicContact CZ-CZ3 4.43Å; F820-L868 HydrophobicContact CB-CD2 3.65Å; F820-L868 HydrophobicContact CG-CD2 4.15Å; F820-F872 HydrophobicContact CB-CZ 4.39Å; F820-F872 AromaticContact CD1-CE2 3.81Å; F820-F872 HydrophobicContact CD1-CE2 3.81Å; F820-F872 AromaticContact CD1-CZ 3.81Å; F820-F872 HydrophobicContact CD1-CZ 3.81Å
821E87.8Confident82.8Confident99 Ų9951 Ų5146%0.46328%0.278SS..Hα-helixtrans-63.2-42.5170.7-73.7-166.7162.100111.6W817 D818 A823 L824 S825W817-E821 PolarHBondContact NE1-OE1 2.88Å; W817-E821 PolarHBondContact O-N 2.9Å; D818-E821 PolarHBondContact O-N 3.07Å; E821-A823 VanDerWaalsContact C-N 3.3Å; E821-A823 PolarHBondContact O-N 3.06Å; E821-L824 PolarHBondContact O-N 3.27Å; E821-S825 WeakPolarHBondContact O-CB 3.43Å; E821-S825 PolarHBondContact O-N 2.98Å
822D84.7Confident82.4Confident50 Ų5049 Ų4927%0.26728%0.283SS..Hα-helixtrans-58.9-42.8173.3-94.3-23.2000111.8R779 D818 Y819 S825 I826R779-D822 IonicContact CZ-OD1 3.25Å; R779-D822 VanDerWaalsContact CZ-OD1 3.31Å; R779-D822 VanDerWaalsContact NH1-CG 3.3Å; R779-D822 IonicContact NH1-OD1 3.59Å; R779-D822 PolarHBondContact NH1-OD1 3.35Å; R779-D822 IonicContact NH1-OD2 2.69Å; R779-D822 PolarHBondContact NH2-O 3.32Å; R779-D822 IonicContact NH2-OD1 3.88Å; R779-D822 PolarHBondContact NH2-OD1 3.07Å; D818-D822 WeakPolarHBondContact O-CB 3.49Å; D818-D822 PolarHBondContact O-N 2.89Å; Y819-D822 WeakPolarHBondContact O-CB 3.19Å; Y819-D822 PolarHBondContact O-N 3.45Å; D822-S825 WeakPolarHBondContact O-CB 3.28Å; D822-S825 PolarHBondContact O-N 3Å; D822-I826 VanDerWaalsContact O-CD1 3.28Å; D822-I826 WeakPolarHBondContact O-CD1 3.38Å; D822-I826 VanDerWaalsContact O-CG1 3.25Å; D822-I826 WeakPolarHBondContact O-CG1 3.47Å; D822-I826 PolarHBondContact O-N 3.03Å
823A85.4Confident81.9Confident0 Ų048.8 Ų48.80%029%0.288CS..Hα-helixtrans-58.7-49.3175.100000111.4V793 Y819 F820 E821 S825 I826 I827 L842 F872V793-A823 HydrophobicContact CG1-CB 3.77Å; Y819-A823 PolarHBondContact O-N 3.07Å; F820-A823 WeakPolarHBondContact O-CB 3.42Å; F820-A823 PolarHBondContact O-N 2.82Å; E821-A823 VanDerWaalsContact C-N 3.3Å; E821-A823 PolarHBondContact O-N 3.06Å; A823-S825 VanDerWaalsContact C-N 3.32Å; A823-S825 PolarHBondContact O-N 2.89Å; A823-I826 PolarHBondContact O-N 3.49Å; A823-I827 WeakPolarHBondContact O-CB 3.39Å; A823-I827 WeakPolarHBondContact O-CD1 3.39Å; A823-I827 WeakPolarHBondContact O-CG1 3.48Å; A823-I827 PolarHBondContact O-N 3.46Å; A823-L842 HydrophobicContact CB-CD1 3.72Å; A823-L842 HydrophobicContact CB-CD2 4.28Å; A823-F872 HydrophobicContact CB-CE1 4.26Å; A823-F872 HydrophobicContact CB-CZ 4.35Å
824L85Confident81.9Confident25 Ų2548.6 Ų48.613%0.13129%0.286CS..Hα-helixtrans-60.7-40.6177.4-76.2167.7000112.3F820 E821 I827 S828 L868 S871 F872F820-L824 WeakPolarHBondContact O-CG 3.42Å; F820-L824 PolarHBondContact O-N 2.67Å; E821-L824 PolarHBondContact O-N 3.27Å; L824-I827 PolarHBondContact O-N 3.05Å; L824-S828 VanDerWaalsContact O-CB 3.24Å; L824-S828 WeakPolarHBondContact O-CB 3.46Å; L824-S828 PolarHBondContact O-N 2.97Å; L824-S828 PolarHBondContact O-OG 3.3Å; L824-L868 HydrophobicContact CD1-CD1 3.47Å; L824-L868 VanDerWaalsContact CD1-CD1 3.47Å; L824-S871 VanDerWaalsContact CD1-OG 3.3Å; L824-S871 WeakPolarHBondContact CD1-OG 3.43Å; L824-F872 HydrophobicContact CD1-CE1 4.47Å; L824-F872 HydrophobicContact CD1-CE2 4.24Å; L824-F872 HydrophobicContact CD1-CZ 4.04Å; L824-F872 HydrophobicContact CD2-CD1 3.4Å; L824-F872 VanDerWaalsContact CD2-CD1 3.4Å; L824-F872 HydrophobicContact CD2-CD2 4.22Å; L824-F872 HydrophobicContact CD2-CE1 3.32Å; L824-F872 HydrophobicContact CD2-CE2 4.14Å; L824-F872 HydrophobicContact CD2-CG 3.87Å; L824-F872 HydrophobicContact CD2-CZ 3.71Å; L824-F872 HydrophobicContact CG-CD1 4.11Å; L824-F872 HydrophobicContact CG-CE1 3.47Å; L824-F872 VanDerWaalsContact CG-CE1 3.47Å; L824-F872 HydrophobicContact CG-CE2 4.08Å; L824-F872 HydrophobicContact CG-CZ 3.46Å; L824-F872 VanDerWaalsContact CG-CZ 3.46Å
825S84.9Confident82Confident69 Ų6945.9 Ų45.948%0.48328%0.278SS..Hα-helixtrans-61.2-44.7176178.80000111.4E821 D822 A823 S828 A829E821-S825 WeakPolarHBondContact O-CB 3.43Å; E821-S825 PolarHBondContact O-N 2.98Å; D822-S825 WeakPolarHBondContact O-CB 3.28Å; D822-S825 PolarHBondContact O-N 3Å; A823-S825 VanDerWaalsContact C-N 3.32Å; A823-S825 PolarHBondContact O-N 2.89Å; S825-S828 PolarHBondContact O-N 3.29Å; S825-A829 WeakPolarHBondContact O-CB 3.14Å; S825-A829 PolarHBondContact O-N 3.25Å
826I83Confident82Confident14 Ų1446.9 Ų46.97%0.07228%0.283CS..Hα-helixtrans-65.4-47.4178.3-67154.9000111L775 C789 V793 D822 A823 S828 A829 A830 F834L775-I826 HydrophobicContact CD1-CD1 4.22Å; C789-I826 HydrophobicContact CB-CD1 4.01Å; C789-I826 HydrophobicContact CB-CG2 4.02Å; V793-I826 HydrophobicContact CG2-CD1 3.93Å; D822-I826 VanDerWaalsContact O-CD1 3.28Å; D822-I826 WeakPolarHBondContact O-CD1 3.38Å; D822-I826 VanDerWaalsContact O-CG1 3.25Å; D822-I826 WeakPolarHBondContact O-CG1 3.47Å; D822-I826 PolarHBondContact O-N 3.03Å; A823-I826 PolarHBondContact O-N 3.49Å; I826-S828 VanDerWaalsContact C-N 3.31Å; I826-S828 PolarHBondContact O-N 3.16Å; I826-A829 PolarHBondContact O-N 3.13Å; I826-A830 PolarHBondContact O-N 3.24Å; I826-A830 VanDerWaalsContact O-N 3.14Å; I826-F834 HydrophobicContact CG2-CD2 3.97Å; I826-F834 HydrophobicContact CG2-CE2 4.07Å
827I84.9Confident82.1Confident2 Ų253.1 Ų53.11%0.0131%0.313CS..Hα-helixtrans-61.3-42.1179.1-66.8163000110.6A823 L824 A829 A830 P831 F834 T839 L842 F872 H875A823-I827 WeakPolarHBondContact O-CB 3.39Å; A823-I827 WeakPolarHBondContact O-CD1 3.39Å; A823-I827 WeakPolarHBondContact O-CG1 3.48Å; A823-I827 PolarHBondContact O-N 3.46Å; L824-I827 PolarHBondContact O-N 3.05Å; I827-A829 VanDerWaalsContact C-N 3.33Å; I827-A829 PolarHBondContact O-N 3.44Å; I827-A830 CarbonylContact O-C 3.32Å; I827-A830 VanDerWaalsContact O-C 3.32Å; I827-A830 PolarHBondContact O-N 2.99Å; I827-P831 WeakPolarHBondContact O-CA 3.4Å; I827-F834 HydrophobicContact CD1-CD1 4.01Å; I827-F834 HydrophobicContact CD1-CE1 3.8Å; I827-F834 HydrophobicContact CD1-CG 4.44Å; I827-F834 HydrophobicContact CD1-CZ 4.07Å; I827-F834 HydrophobicContact CG1-CB 4.11Å; I827-F834 HydrophobicContact CG1-CD1 3.59Å; I827-F834 HydrophobicContact CG1-CD2 3.69Å; I827-F834 HydrophobicContact CG1-CE1 3.77Å; I827-F834 HydrophobicContact CG1-CE2 3.88Å; I827-F834 HydrophobicContact CG1-CG 3.53Å; I827-F834 HydrophobicContact CG1-CZ 3.92Å; I827-T839 HydrophobicContact CD1-CG2 4.45Å; I827-L842 HydrophobicContact CD1-CD1 3.97Å; I827-F872 HydrophobicContact CD1-CD1 3.92Å; I827-F872 HydrophobicContact CD1-CE1 3.77Å; I827-H875 HydrophobicContact CG2-CB 3.52Å
828S81.7Confident82.1Confident68 Ų6852.3 Ų52.348%0.47631%0.311SS..Hα-helixtrans-67.9-32.6179.2-610000112.9L824 S825 I826 H875L824-S828 VanDerWaalsContact O-CB 3.24Å; L824-S828 WeakPolarHBondContact O-CB 3.46Å; L824-S828 PolarHBondContact O-N 2.97Å; L824-S828 PolarHBondContact O-OG 3.3Å; S825-S828 PolarHBondContact O-N 3.29Å; I826-S828 VanDerWaalsContact C-N 3.31Å; I826-S828 PolarHBondContact O-N 3.16Å; S828-H875 PolarHBondContact OG-CE1 2.92Å
829A80Confident82.1Confident86 Ų8649 Ų4971%0.71129%0.294SS*.Hα-helixtrans-76.4-25.8178.200000113.4S825 I826 I827S825-A829 WeakPolarHBondContact O-CB 3.14Å; S825-A829 PolarHBondContact O-N 3.25Å; I826-A829 PolarHBondContact O-N 3.13Å; I827-A829 VanDerWaalsContact C-N 3.33Å; I827-A829 PolarHBondContact O-N 3.44Å
830A75Confident82Confident32 Ų3249.4 Ų49.426%0.26430%0.297SS..  trans-141.872.1-179.900000112.1P786 I826 I827 D832 G833 F834P786-A830 HydrophobicContact CB-CB 4.25Å; P786-A830 HydrophobicContact CG-CB 4.25Å; I826-A830 PolarHBondContact O-N 3.24Å; I826-A830 VanDerWaalsContact O-N 3.14Å; I827-A830 CarbonylContact O-C 3.32Å; I827-A830 VanDerWaalsContact O-C 3.32Å; I827-A830 PolarHBondContact O-N 2.99Å; A830-D832 VanDerWaalsContact C-N 3.32Å; A830-D832 PolarHBondContact O-N 2.77Å; A830-G833 PolarHBondContact O-N 2.93Å; A830-G833 VanDerWaalsContact O-N 3.16Å; A830-F834 PolarHBondContact O-N 3.37Å
831P69.3Low82.2Confident85 Ų8552 Ų5255%0.55231%0.307SS*.THydrogen-bonded Turntrans-61.5-36.5-171.9-4.67.7000113.8I827 G833I827-P831 WeakPolarHBondContact O-CA 3.4Å; P831-G833 VanDerWaalsContact C-N 3.35Å
832D67.9Low82.3Confident170 Ų17047.3 Ų47.391%0.90929%0.285SS*.THydrogen-bonded Turntrans-86.3-5-177.4-58.7-41.4000113.5A830A830-D832 VanDerWaalsContact C-N 3.32Å; A830-D832 PolarHBondContact O-N 2.77Å
833G68.4Low82.5Confident32 Ų3245 Ų4533%0.3327%0.272SS..THydrogen-bonded Turntrans-107.7-15.2-174.800000115.2P786 A830 P831P786-G833 WeakPolarHBondContact CG-O 3.21Å; A830-G833 PolarHBondContact O-N 2.93Å; A830-G833 VanDerWaalsContact O-N 3.16Å; P831-G833 VanDerWaalsContact C-N 3.35Å
834F79.9Confident82.7Confident15 Ų1547.4 Ų47.47%0.06629%0.287CS..SBendtrans-88.9133.9-179.2-158.8-88.3000111.1S790 I826 I827 A830 E836 E838 T839 L842S790-F834 VanDerWaalsContact CB-CE2 3.48Å; I826-F834 HydrophobicContact CG2-CD2 3.97Å; I826-F834 HydrophobicContact CG2-CE2 4.07Å; I827-F834 HydrophobicContact CD1-CD1 4.01Å; I827-F834 HydrophobicContact CD1-CE1 3.8Å; I827-F834 HydrophobicContact CD1-CG 4.44Å; I827-F834 HydrophobicContact CD1-CZ 4.07Å; I827-F834 HydrophobicContact CG1-CB 4.11Å; I827-F834 HydrophobicContact CG1-CD1 3.59Å; I827-F834 HydrophobicContact CG1-CD2 3.69Å; I827-F834 HydrophobicContact CG1-CE1 3.77Å; I827-F834 HydrophobicContact CG1-CE2 3.88Å; I827-F834 HydrophobicContact CG1-CG 3.53Å; I827-F834 HydrophobicContact CG1-CZ 3.92Å; A830-F834 PolarHBondContact O-N 3.37Å; F834-E836 PolarHBondContact O-N 3.34Å; F834-E838 HydrophobicContact CD1-CB 4.3Å; F834-E838 HydrophobicContact CE1-CB 3.67Å; F834-E838 HydrophobicContact CE1-CG 3.51Å; F834-E838 HydrophobicContact CZ-CB 4.41Å; F834-E838 HydrophobicContact CZ-CG 3.8Å; F834-T839 WeakPolarHBondContact CD1-OG1 3.42Å; F834-L842 HydrophobicContact CE1-CD1 4.05Å; F834-L842 HydrophobicContact CZ-CD1 4.02Å
835P84Confident82.9Confident50 Ų5048.1 Ų48.133%0.32529%0.29SS..  trans-61.9125-177-22.733000113T787 M837 E838 T839T787-P835 HydrophobicContact CG2-CG 4.47Å; P835-M837 VanDerWaalsContact C-N 3.27Å; P835-M837 PolarHBondContact O-N 2.92Å; P835-E838 HydrophobicContact CB-CB 4.03Å; P835-E838 WeakPolarHBondContact O-CA 3.36Å; P835-E838 WeakPolarHBondContact O-CB 3.46Å; P835-E838 PolarHBondContact O-N 3.47Å; P835-T839 PolarHBondContact O-N 3Å; P835-T839 VanDerWaalsContact O-N 3.15Å
836E84.8Confident83Confident58 Ų5844.9 Ų44.927%0.27127%0.267SS..Hα-helixtrans-57.2-38.3-178.7-178.8170.7-151.800112.8F834 E838 T839 L840 L876 G877 S878 L879F834-E836 PolarHBondContact O-N 3.34Å; E836-E838 VanDerWaalsContact C-N 3.28Å; E836-E838 PolarHBondContact O-N 3.47Å; E836-T839 PolarHBondContact O-N 2.86Å; E836-L840 PolarHBondContact O-N 3.47Å; E836-L876 HydrophobicContact CG-CD2 4.31Å; E836-G877 VanDerWaalsContact OE1-CA 3.27Å; E836-G877 WeakPolarHBondContact OE1-CA 3.19Å; E836-G877 PolarHBondContact OE1-N 2.7Å; E836-S878 PolarHBondContact OE1-N 3.2Å; E836-S878 PolarHBondContact OE1-OG 3.31Å; E836-S878 PolarHBondContact OE2-OG 3.15Å; E836-L879 HydrophobicContact CG-CD1 4.32Å; E836-L879 PolarHBondContact OE1-N 2.95Å
837M86.8Confident83.3Confident133 Ų13345.3 Ų45.366%0.65527%0.268SS*.Hα-helixtrans-66.4-28.9176.4-67.5-57.8-62.800113.1P835 L840 W841 L879P835-M837 VanDerWaalsContact C-N 3.27Å; P835-M837 PolarHBondContact O-N 2.92Å; M837-L840 HydrophobicContact CE-CD2 4.35Å; M837-W841 PolarHBondContact O-N 3.41Å; M837-L879 HydrophobicContact SD-CD1 4.28Å
838E87.5Confident83.4Confident29 Ų2949.1 Ų49.114%0.13629%0.288CS..Hα-helixtrans-75-41.6176.2-173.667.3-159.300110.7S790 H794 F834 P835 E836 L840 W841 L842S790-E838 WeakPolarHBondContact OG-CG 3.41Å; H794-E838 VanDerWaalsContact CB-OE1 3.3Å; H794-E838 WeakPolarHBondContact CB-OE1 3.37Å; H794-E838 IonicContact CE1-OE1 3.62Å; H794-E838 IonicContact CE1-OE2 2.68Å; H794-E838 IonicContact CG-OE1 3.1Å; H794-E838 IonicContact ND1-OE1 3.44Å; H794-E838 PolarHBondContact ND1-OE1 2.91Å; H794-E838 IonicContact ND1-OE2 3.77Å; H794-E838 PolarHBondContact ND1-OE2 3.4Å; F834-E838 HydrophobicContact CD1-CB 4.3Å; F834-E838 HydrophobicContact CE1-CB 3.67Å; F834-E838 HydrophobicContact CE1-CG 3.51Å; F834-E838 HydrophobicContact CZ-CB 4.41Å; F834-E838 HydrophobicContact CZ-CG 3.8Å; P835-E838 HydrophobicContact CB-CB 4.03Å; P835-E838 WeakPolarHBondContact O-CA 3.36Å; P835-E838 WeakPolarHBondContact O-CB 3.46Å; P835-E838 PolarHBondContact O-N 3.47Å; E836-E838 VanDerWaalsContact C-N 3.28Å; E836-E838 PolarHBondContact O-N 3.47Å; E838-L840 PolarHBondContact O-N 2.94Å; E838-W841 WeakPolarHBondContact O-CB 3.2Å; E838-W841 PolarHBondContact O-N 3Å; E838-W841 VanDerWaalsContact O-N 3.09Å; E838-W841 VanDerWaalsContact OE1-CE3 3.25Å; E838-L842 HydrophobicContact CG-CD1 4.49Å; E838-L842 WeakPolarHBondContact O-CG 3.34Å; E838-L842 PolarHBondContact O-N 3.29Å
839T86.1Confident83.7Confident3 Ų346.6 Ų46.62%0.01827%0.271CS..Hα-helixtrans-57.4-40.7172.5-55.60000111.2I827 F834 P835 E836 L842 L843 F872 H875 L876I827-T839 HydrophobicContact CD1-CG2 4.45Å; F834-T839 WeakPolarHBondContact CD1-OG1 3.42Å; P835-T839 PolarHBondContact O-N 3Å; P835-T839 VanDerWaalsContact O-N 3.15Å; E836-T839 PolarHBondContact O-N 2.86Å; T839-L842 PolarHBondContact O-N 3.38Å; T839-L843 WeakPolarHBondContact O-CB 3.4Å; T839-L843 PolarHBondContact O-N 2.8Å; T839-F872 HydrophobicContact CG2-CB 4.3Å; T839-F872 HydrophobicContact CG2-CD1 4.33Å; T839-H875 HydrophobicContact CG2-CB 4.04Å; T839-L876 HydrophobicContact CG2-CD2 3.87Å; T839-L876 HydrophobicContact CG2-CG 4.42Å
840L88.2Confident84Confident17 Ų1742.5 Ų42.59%0.08924%0.238CC..Hα-helixtrans-65.4-40.9174.2179.365000112.5E836 M837 E838 L843 T844 L876 L879 Y883E836-L840 PolarHBondContact O-N 3.47Å; M837-L840 HydrophobicContact CE-CD2 4.35Å; E838-L840 PolarHBondContact O-N 2.94Å; L840-L843 PolarHBondContact O-N 3.48Å; L840-T844 WeakPolarHBondContact O-CB 3.49Å; L840-T844 PolarHBondContact O-N 3.38Å; L840-T844 PolarHBondContact O-OG1 3.45Å; L840-L876 HydrophobicContact CB-CD2 4.17Å; L840-L879 HydrophobicContact CD2-CD1 3.95Å; L840-Y883 HydrophobicContact CD1-CD1 3.84Å; L840-Y883 HydrophobicContact CD1-CD2 4.17Å; L840-Y883 HydrophobicContact CD1-CE1 3.51Å; L840-Y883 HydrophobicContact CD1-CE2 3.85Å; L840-Y883 HydrophobicContact CD1-CG 4.16Å; L840-Y883 HydrophobicContact CD2-CE2 4.28Å
841W90.9Very high84.6Confident56 Ų5644.1 Ų44.121%0.21224%0.241CC..Hα-helixtrans-61.8-46.7176179.285.6000111.1H794 I797 L801 M837 E838 L843 T844 Q845H794-W841 HydrophobicContact CB-CZ3 4.48Å; H794-W841 AromaticContact CE1-CD2 3.63Å; H794-W841 AromaticContact CE1-CE2 3.45Å; H794-W841 VanDerWaalsContact CE1-CE2 3.45Å; H794-W841 AromaticContact CE1-CE3 3.87Å; H794-W841 AromaticContact CE1-CH2 3.8Å; H794-W841 AromaticContact CE1-CZ2 3.55Å; H794-W841 AromaticContact CE1-CZ3 3.95Å; H794-W841 AromaticContact CE1-NE1 3.96Å; H794-W841 AromaticContact ND1-CD2 3.71Å; H794-W841 AromaticContact ND1-CE2 3.9Å; H794-W841 AromaticContact ND1-CE3 3.46Å; H794-W841 AromaticContact ND1-CH2 3.69Å; H794-W841 AromaticContact ND1-CZ2 3.92Å; H794-W841 AromaticContact ND1-CZ3 3.46Å; H794-W841 WeakPolarHBondContact ND1-CZ3 3.18Å; I797-W841 HydrophobicContact CB-CH2 4.03Å; I797-W841 HydrophobicContact CB-CZ3 4.29Å; I797-W841 HydrophobicContact CD1-CZ3 4.41Å; I797-W841 HydrophobicContact CG2-CH2 3.66Å; I797-W841 HydrophobicContact CG2-CZ3 4.06Å; L801-W841 HydrophobicContact CD1-CZ2 4.44Å; M837-W841 PolarHBondContact O-N 3.41Å; E838-W841 WeakPolarHBondContact O-CB 3.2Å; E838-W841 PolarHBondContact O-N 3Å; E838-W841 VanDerWaalsContact O-N 3.09Å; E838-W841 VanDerWaalsContact OE1-CE3 3.25Å; W841-L843 PolarHBondContact O-N 3.26Å; W841-T844 WeakPolarHBondContact O-CB 3.44Å; W841-T844 PolarHBondContact O-N 3.38Å; W841-T844 VanDerWaalsContact O-N 3.14Å; W841-Q845 HydrophobicContact CD2-CG 3.87Å; W841-Q845 HydrophobicContact CE3-CG 4.26Å; W841-Q845 HydrophobicContact CG-CG 4.44Å; W841-Q845 HydrophobicContact CH2-CG 4.05Å; W841-Q845 HydrophobicContact CZ2-CG 3.61Å; W841-Q845 HydrophobicContact CZ3-CG 4.34Å; W841-Q845 WeakPolarHBondContact O-CG 3.47Å; W841-Q845 PolarHBondContact O-N 2.86Å
842L89.6Confident85.3Confident0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-58.8-47.6176.3-70.1167.5000111.9I797 F820 A823 I827 F834 E838 T839 T844 Q845 A846 F872I797-L842 HydrophobicContact CD1-CD2 3.31Å; F820-L842 HydrophobicContact CD1-CB 4.44Å; F820-L842 HydrophobicContact CD1-CD2 3.98Å; F820-L842 HydrophobicContact CE1-CB 4.17Å; F820-L842 HydrophobicContact CE1-CD2 3.75Å; F820-L842 WeakPolarHBondContact CE1-O 3.48Å; A823-L842 HydrophobicContact CB-CD1 3.72Å; A823-L842 HydrophobicContact CB-CD2 4.28Å; I827-L842 HydrophobicContact CD1-CD1 3.97Å; F834-L842 HydrophobicContact CE1-CD1 4.05Å; F834-L842 HydrophobicContact CZ-CD1 4.02Å; E838-L842 HydrophobicContact CG-CD1 4.49Å; E838-L842 WeakPolarHBondContact O-CG 3.34Å; E838-L842 PolarHBondContact O-N 3.29Å; T839-L842 PolarHBondContact O-N 3.38Å; L842-T844 VanDerWaalsContact C-N 3.28Å; L842-T844 PolarHBondContact O-N 2.91Å; L842-Q845 PolarHBondContact O-N 3.28Å; L842-A846 WeakPolarHBondContact O-CB 3.44Å; L842-A846 PolarHBondContact O-N 3.25Å; L842-F872 HydrophobicContact CB-CD1 4.2Å; L842-F872 HydrophobicContact CB-CE1 3.95Å; L842-F872 HydrophobicContact CB-CE2 4.39Å; L842-F872 HydrophobicContact CB-CZ 4.06Å; L842-F872 HydrophobicContact CD1-CD1 4.5Å; L842-F872 HydrophobicContact CD1-CE1 3.89Å; L842-F872 HydrophobicContact CD1-CZ 4.44Å
843L90.1Very high86Confident2 Ų234.3 Ų34.31%0.0118%0.183CC..Hα-helixtrans-53.2-48.4173.6174.9161.9000111.1T839 L840 W841 A846 W847 A869 F872 I873 L876 M887T839-L843 WeakPolarHBondContact O-CB 3.4Å; T839-L843 PolarHBondContact O-N 2.8Å; L840-L843 PolarHBondContact O-N 3.48Å; W841-L843 PolarHBondContact O-N 3.26Å; L843-A846 PolarHBondContact O-N 3.47Å; L843-W847 VanDerWaalsContact O-CB 3.31Å; L843-W847 WeakPolarHBondContact O-CB 3.42Å; L843-W847 PolarHBondContact O-N 2.88Å; L843-A869 WeakPolarHBondContact O-CB 3.38Å; L843-F872 HydrophobicContact CB-CB 3.9Å; L843-I873 HydrophobicContact CD1-CB 4.45Å; L843-I873 HydrophobicContact CD1-CD1 4.36Å; L843-I873 HydrophobicContact CD1-CG1 3.38Å; L843-L876 HydrophobicContact CD1-CD1 4.17Å; L843-M887 HydrophobicContact CD2-CE 3.63Å; L843-M887 HydrophobicContact CD2-SD 4.35Å; L843-M887 HydrophobicContact CG-CE 4.44Å
844T87.8Confident86.7Confident50 Ų5035.7 Ų35.731%0.30718%0.179SC..Hα-helixtrans-65.8-41.9-177.3-54.50000111.4L840 W841 L842 W847 N848L840-T844 WeakPolarHBondContact O-CB 3.49Å; L840-T844 PolarHBondContact O-N 3.38Å; L840-T844 PolarHBondContact O-OG1 3.45Å; W841-T844 WeakPolarHBondContact O-CB 3.44Å; W841-T844 PolarHBondContact O-N 3.38Å; W841-T844 VanDerWaalsContact O-N 3.14Å; L842-T844 VanDerWaalsContact C-N 3.28Å; L842-T844 PolarHBondContact O-N 2.91Å; T844-W847 PolarHBondContact O-N 3.5Å; T844-N848 WeakPolarHBondContact O-CB 3.32Å; T844-N848 PolarHBondContact O-N 3.23Å; T844-N848 PolarHBondContact O-ND2 3.16Å
845Q89.6Confident86.9Confident40 Ų4038.9 Ų38.919%0.18720%0.204CC..Hα-helixtrans-68-44.1178-65-46.9-47.200112.2L801 F820 W841 L842 W847 N848 A849L801-Q845 HydrophobicContact CD1-CG 4.31Å; F820-Q845 HydrophobicContact CE1-CB 4.29Å; F820-Q845 HydrophobicContact CZ-CB 3.82Å; W841-Q845 HydrophobicContact CD2-CG 3.87Å; W841-Q845 HydrophobicContact CE3-CG 4.26Å; W841-Q845 HydrophobicContact CG-CG 4.44Å; W841-Q845 HydrophobicContact CH2-CG 4.05Å; W841-Q845 HydrophobicContact CZ2-CG 3.61Å; W841-Q845 HydrophobicContact CZ3-CG 4.34Å; W841-Q845 WeakPolarHBondContact O-CG 3.47Å; W841-Q845 PolarHBondContact O-N 2.86Å; L842-Q845 PolarHBondContact O-N 3.28Å; Q845-W847 VanDerWaalsContact C-N 3.29Å; Q845-W847 PolarHBondContact O-N 3.44Å; Q845-N848 PolarHBondContact O-N 3.47Å; Q845-A849 WeakPolarHBondContact O-CB 3.35Å; Q845-A849 PolarHBondContact O-N 3.09Å
846A87.8Confident86.8Confident0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-61.3-39.717600000111.5F820 L842 L843 A849 G850 W865 A869F820-A846 HydrophobicContact CD1-CB 4.18Å; F820-A846 HydrophobicContact CE1-CB 3.92Å; F820-A846 HydrophobicContact CZ-CB 4.35Å; L842-A846 WeakPolarHBondContact O-CB 3.44Å; L842-A846 PolarHBondContact O-N 3.25Å; L843-A846 PolarHBondContact O-N 3.47Å; A846-A849 PolarHBondContact O-N 3.18Å; A846-G850 PolarHBondContact O-N 3.15Å; A846-W865 HydrophobicContact CB-CE3 4.35Å; A846-A869 HydrophobicContact CB-CB 3.86Å
847W89.1Confident86.6Confident24 Ų2439 Ų399%0.09121%0.21CC..Hα-helixtrans-64.3-49.3175-173-96.9000111.7L843 T844 Q845 A849 G850 I851 C866 A869 M870 M887 L890 Y891 I894L843-W847 VanDerWaalsContact O-CB 3.31Å; L843-W847 WeakPolarHBondContact O-CB 3.42Å; L843-W847 PolarHBondContact O-N 2.88Å; T844-W847 PolarHBondContact O-N 3.5Å; Q845-W847 VanDerWaalsContact C-N 3.29Å; Q845-W847 PolarHBondContact O-N 3.44Å; W847-A849 VanDerWaalsContact C-N 3.28Å; W847-A849 PolarHBondContact O-N 3.48Å; W847-G850 WeakPolarHBondContact O-CA 3.25Å; W847-G850 PolarHBondContact O-N 3.39Å; W847-I851 WeakPolarHBondContact O-CG1 3.29Å; W847-I851 PolarHBondContact O-N 3.02Å; W847-C866 HydrophobicContact CE3-CB 4.18Å; W847-C866 HydrophobicContact CZ3-CB 4.11Å; W847-A869 HydrophobicContact CB-CB 3.88Å; W847-A869 HydrophobicContact CE3-CB 3.92Å; W847-M870 HydrophobicContact CZ3-CG 4.5Å; W847-M870 HydrophobicContact CZ3-SD 4.13Å; W847-M887 HydrophobicContact CB-CE 4.02Å; W847-M887 HydrophobicContact CD2-CE 3.26Å; W847-M887 HydrophobicContact CD2-SD 4.48Å; W847-M887 HydrophobicContact CE3-CE 3.27Å; W847-M887 HydrophobicContact CG-CE 3.62Å; W847-M887 HydrophobicContact CH2-CE 4.19Å; W847-M887 HydrophobicContact CZ2-CE 4.23Å; W847-M887 HydrophobicContact CZ3-CE 3.75Å; W847-L890 HydrophobicContact CH2-CB 3.95Å; W847-L890 HydrophobicContact CZ2-CB 3.62Å; W847-L890 HydrophobicContact CZ2-CD1 4.49Å; W847-Y891 HydrophobicContact CH2-CD2 4.16Å; W847-Y891 AromaticContact CZ3-CD2 3.83Å; W847-Y891 HydrophobicContact CZ3-CD2 3.83Å; W847-Y891 HydrophobicContact CZ3-CG 4.36Å; W847-I894 HydrophobicContact CH2-CD1 3.65Å; W847-I894 HydrophobicContact CZ2-CD1 3.23Å
848N88.1Confident86.4Confident81 Ų8136.6 Ų36.643%0.43320%0.198SC..Hα-helixtrans-60.1-38178.1-72.1-16.4000112.2T844 Q845 I851 L852T844-N848 WeakPolarHBondContact O-CB 3.32Å; T844-N848 PolarHBondContact O-N 3.23Å; T844-N848 PolarHBondContact O-ND2 3.16Å; Q845-N848 PolarHBondContact O-N 3.47Å; N848-I851 PolarHBondContact O-N 3.01Å; N848-L852 WeakPolarHBondContact O-CB 3.38Å; N848-L852 PolarHBondContact O-N 3.15Å
849A86.3Confident86.1Confident16 Ų1637.4 Ų37.413%0.13220%0.2CC..Hα-helixtrans-62.4-43.2172.600000111.5Q845 A846 W847 I851 L852 L853 W865Q845-A849 WeakPolarHBondContact O-CB 3.35Å; Q845-A849 PolarHBondContact O-N 3.09Å; A846-A849 PolarHBondContact O-N 3.18Å; W847-A849 VanDerWaalsContact C-N 3.28Å; W847-A849 PolarHBondContact O-N 3.48Å; A849-I851 PolarHBondContact O-N 3.08Å; A849-L852 PolarHBondContact O-N 3.48Å; A849-L853 VanDerWaalsContact O-CG 3.28Å; A849-L853 WeakPolarHBondContact O-CG 3.48Å; A849-L853 PolarHBondContact O-N 2.83Å; A849-W865 HydrophobicContact CB-CD2 4.04Å; A849-W865 HydrophobicContact CB-CE3 3.7Å; A849-W865 HydrophobicContact CB-CZ3 4.15Å
850G86.8Confident86Confident0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-60.3-42.4173.800000113.3A846 W847 L853 Y854 A862A846-G850 PolarHBondContact O-N 3.15Å; W847-G850 WeakPolarHBondContact O-CA 3.25Å; W847-G850 PolarHBondContact O-N 3.39Å; G850-L853 PolarHBondContact O-N 3.2Å; G850-Y854 WeakPolarHBondContact O-CB 3.37Å; G850-Y854 PolarHBondContact O-N 3.11Å; G850-A862 WeakPolarHBondContact O-CB 3.36Å
851I87.1Confident85.7Confident66 Ų6645.2 Ų45.234%0.33824%0.235SC..Hα-helixtrans-65.8-41.3174.8-59.6-56.8000111.9W847 N848 A849 Y854 S855 I894W847-I851 WeakPolarHBondContact O-CG1 3.29Å; W847-I851 PolarHBondContact O-N 3.02Å; N848-I851 PolarHBondContact O-N 3.01Å; A849-I851 PolarHBondContact O-N 3.08Å; I851-Y854 WeakPolarHBondContact O-CB 3.15Å; I851-Y854 PolarHBondContact O-N 3.16Å; I851-S855 PolarHBondContact O-N 3.32Å; I851-I894 HydrophobicContact CD1-CD1 3.41Å; I851-I894 VanDerWaalsContact CD1-CD1 3.41Å; I851-I894 HydrophobicContact CD1-CG1 4.33Å
852L84.3Confident85.4Confident46 Ų4642.5 Ų42.524%0.24123%0.225CC..Hα-helixtrans-60.9-46.8176.217863.5000110.9V805 V808 N848 A849 Y854 S855 L856V805-L852 HydrophobicContact CG2-CD1 4.22Å; V808-L852 HydrophobicContact CG2-CD2 3.92Å; V808-L852 HydrophobicContact CG2-CG 4.49Å; N848-L852 WeakPolarHBondContact O-CB 3.38Å; N848-L852 PolarHBondContact O-N 3.15Å; A849-L852 PolarHBondContact O-N 3.48Å; L852-Y854 VanDerWaalsContact C-N 3.3Å; L852-Y854 PolarHBondContact O-N 3.32Å; L852-S855 WeakPolarHBondContact O-CB 3.38Å; L852-S855 PolarHBondContact O-N 3.01Å; L852-S855 VanDerWaalsContact O-N 3.12Å; L852-S855 PolarHBondContact O-OG 3.22Å; L852-L856 HydrophobicContact CG-CD1 4.44Å; L852-L856 PolarHBondContact O-N 3.06Å
853L83.6Confident85.2Confident2 Ų245.3 Ų45.31%0.0124%0.238CC..Hα-helixtrans-64.5-35.2177.1-67.9167.6000112.3V808 L813 A849 G850 L856 A857 Q858 E861 A862 W865V808-L853 HydrophobicContact CG1-CD2 3.85Å; L813-L853 HydrophobicContact CD1-CD2 3.7Å; L813-L853 HydrophobicContact CD2-CD1 4.38Å; L813-L853 HydrophobicContact CD2-CD2 4.25Å; A849-L853 VanDerWaalsContact O-CG 3.28Å; A849-L853 WeakPolarHBondContact O-CG 3.48Å; A849-L853 PolarHBondContact O-N 2.83Å; G850-L853 PolarHBondContact O-N 3.2Å; L853-L856 CarbonylContact O-C 3.5Å; L853-L856 PolarHBondContact O-N 2.77Å; L853-A857 PolarHBondContact O-N 3.43Å; L853-Q858 HydrophobicContact CB-CB 4.41Å; L853-Q858 HydrophobicContact CD2-CB 4.4Å; L853-Q858 PolarHBondContact O-N 3.44Å; L853-E861 HydrophobicContact CD1-CB 4.07Å; L853-A862 HydrophobicContact CB-CB 4.03Å; L853-W865 HydrophobicContact CD1-CB 4.33Å; L853-W865 HydrophobicContact CD1-CD2 4.47Å; L853-W865 HydrophobicContact CD1-CG 3.74Å
854Y83.6Confident85.1Confident61 Ų6149.5 Ų49.524%0.23926%0.256CS..Hα-helixtrans-61-45.3171.4-179.3-86.2000111.1G850 I851 L852 L856 A857 Y859 R897 L898G850-Y854 WeakPolarHBondContact O-CB 3.37Å; G850-Y854 PolarHBondContact O-N 3.11Å; I851-Y854 WeakPolarHBondContact O-CB 3.15Å; I851-Y854 PolarHBondContact O-N 3.16Å; L852-Y854 VanDerWaalsContact C-N 3.3Å; L852-Y854 PolarHBondContact O-N 3.32Å; Y854-L856 PolarHBondContact O-N 3.32Å; Y854-A857 PolarHBondContact O-N 3.24Å; Y854-Y859 AromaticContact CD2-CD1 3.88Å; Y854-Y859 HydrophobicContact CD2-CD1 3.88Å; Y854-Y859 HydrophobicContact CD2-CE1 4.05Å; Y854-Y859 AromaticContact CE2-CD1 3.99Å; Y854-Y859 HydrophobicContact CE2-CD1 3.99Å; Y854-Y859 AromaticContact CE2-CE1 3.91Å; Y854-Y859 HydrophobicContact CE2-CE1 3.91Å; Y854-R897 HydrophobicContact CE2-CB 4.36Å; Y854-L898 HydrophobicContact CD2-CD2 3.53Å; Y854-L898 HydrophobicContact CD2-CG 3.87Å; Y854-L898 HydrophobicContact CE2-CD2 3.77Å; Y854-L898 HydrophobicContact CE2-CG 3.86Å
855S82.2Confident85.1Confident83 Ų8347.2 Ų47.258%0.5824%0.242SC*.Hα-helixtrans-64.8-25177.378.10000113.5I851 L852 A857I851-S855 PolarHBondContact O-N 3.32Å; L852-S855 WeakPolarHBondContact O-CB 3.38Å; L852-S855 PolarHBondContact O-N 3.01Å; L852-S855 VanDerWaalsContact O-N 3.12Å; L852-S855 PolarHBondContact O-OG 3.22Å; S855-A857 VanDerWaalsContact C-N 3.31Å
856L82.6Confident85Confident56 Ų5645.4 Ų45.429%0.29323%0.234SC..THydrogen-bonded Turntrans-86.87.4174.4-78.7174000114V805 V808 L852 L853 Y854 Q858V805-L856 HydrophobicContact CG1-CD1 4.28Å; V805-L856 HydrophobicContact CG1-CD2 3.25Å; V805-L856 HydrophobicContact CG1-CG 3.99Å; V808-L856 HydrophobicContact CB-CD1 3.87Å; V808-L856 HydrophobicContact CG1-CD1 3.89Å; V808-L856 HydrophobicContact CG2-CD1 3.74Å; L852-L856 HydrophobicContact CG-CD1 4.44Å; L852-L856 PolarHBondContact O-N 3.06Å; L853-L856 CarbonylContact O-C 3.5Å; L853-L856 PolarHBondContact O-N 2.77Å; Y854-L856 PolarHBondContact O-N 3.32Å; L856-Q858 PolarHBondContact O-N 3.16Å
857A80.8Confident85Confident54 Ų5446.5 Ų46.545%0.44625%0.245SC..THydrogen-bonded Turntrans59.817.1-175.600000115.4L853 Y854 S855 Y859L853-A857 PolarHBondContact O-N 3.43Å; Y854-A857 PolarHBondContact O-N 3.24Å; S855-A857 VanDerWaalsContact C-N 3.31Å; A857-Y859 HydrophobicContact CB-CE1 4.48Å; A857-Y859 HydrophobicContact CB-CE2 3.91Å; A857-Y859 WeakPolarHBondContact O-CD2 3.47Å; A857-Y859 PolarHBondContact O-N 2.9Å
858Q82.8Confident85Confident82 Ų8246 Ų4638%0.38324%0.244SC..  trans-85.864173.1-65.1-171.5800110.4L853 L856 H860 E861 A862L853-Q858 HydrophobicContact CB-CB 4.41Å; L853-Q858 HydrophobicContact CD2-CB 4.4Å; L853-Q858 PolarHBondContact O-N 3.44Å; L856-Q858 PolarHBondContact O-N 3.16Å; Q858-H860 VanDerWaalsContact C-N 3.34Å; Q858-H860 PolarHBondContact O-N 3.38Å; Q858-E861 HydrophobicContact CB-CB 4.49Å; Q858-E861 PolarHBondContact O-N 3.4Å; Q858-A862 WeakPolarHBondContact O-CB 3.39Å; Q858-A862 PolarHBondContact O-N 3Å
859Y81.7Confident85Confident46 Ų4642.2 Ų42.218%0.1822%0.224CC..Hα-helixtrans-61.5-34.9-167.5-61.2-52.8000114.6Y854 A857 E863 L898 A901 I905Y854-Y859 AromaticContact CD2-CD1 3.88Å; Y854-Y859 HydrophobicContact CD2-CD1 3.88Å; Y854-Y859 HydrophobicContact CD2-CE1 4.05Å; Y854-Y859 AromaticContact CE2-CD1 3.99Å; Y854-Y859 HydrophobicContact CE2-CD1 3.99Å; Y854-Y859 AromaticContact CE2-CE1 3.91Å; Y854-Y859 HydrophobicContact CE2-CE1 3.91Å; A857-Y859 HydrophobicContact CB-CE1 4.48Å; A857-Y859 HydrophobicContact CB-CE2 3.91Å; A857-Y859 WeakPolarHBondContact O-CD2 3.47Å; A857-Y859 PolarHBondContact O-N 2.9Å; Y859-E863 PolarHBondContact O-N 3.43Å; Y859-E863 VanDerWaalsContact O-N 3.15Å; Y859-L898 VanDerWaalsContact CB-CD2 3.48Å; Y859-L898 HydrophobicContact CD1-CD2 3.52Å; Y859-L898 HydrophobicContact CG-CD2 3.88Å; Y859-L898 WeakPolarHBondContact O-CD2 3.38Å; Y859-A901 HydrophobicContact CD1-CB 4.28Å; Y859-A901 HydrophobicContact CD2-CB 4.27Å; Y859-A901 HydrophobicContact CE1-CB 3.82Å; Y859-A901 HydrophobicContact CE2-CB 3.83Å; Y859-A901 HydrophobicContact CG-CB 4.47Å; Y859-I905 HydrophobicContact CD2-CD1 3.43Å; Y859-I905 VanDerWaalsContact CD2-CD1 3.43Å; Y859-I905 HydrophobicContact CE2-CD1 3.32Å; Y859-I905 HydrophobicContact CE2-CG1 4.21Å
860H82.7Confident85.1Confident120 Ų12043.1 Ų43.156%0.55623%0.226SC*.Hα-helixtrans-66.5-44.7176.5-172.6-17.3000111.7Q858 E863 K864Q858-H860 VanDerWaalsContact C-N 3.34Å; Q858-H860 PolarHBondContact O-N 3.38Å; H860-E863 PolarHBondContact O-N 3.36Å; H860-K864 WeakPolarHBondContact CE1-CE 3.43Å; H860-K864 PolarHBondContact O-N 3.39Å
861E82.3Confident85.1Confident64 Ų6444.1 Ų44.130%0.29923%0.233SC..Hα-helixtrans-71.5-37.4179.4-68.2-5813800110.9L853 Q858 E863 K864 W865L853-E861 HydrophobicContact CD1-CB 4.07Å; Q858-E861 HydrophobicContact CB-CB 4.49Å; Q858-E861 PolarHBondContact O-N 3.4Å; E861-E863 VanDerWaalsContact C-N 3.3Å; E861-E863 PolarHBondContact O-N 3.45Å; E861-K864 WeakPolarHBondContact O-CB 3.24Å; E861-K864 PolarHBondContact O-N 2.92Å; E861-K864 VanDerWaalsContact O-N 3.14Å; E861-K864 IonicContact OE1-NZ 3.37Å; E861-K864 PolarHBondContact OE1-NZ 3.43Å; E861-K864 IonicContact OE2-NZ 2.72Å; E861-W865 VanDerWaalsContact O-CD1 3.22Å; E861-W865 PolarHBondContact O-N 3.2Å
862A84Confident85.2Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-54.6-44.3172.600000112.8G850 L853 Q858 W865 C866 L898G850-A862 WeakPolarHBondContact O-CB 3.36Å; L853-A862 HydrophobicContact CB-CB 4.03Å; Q858-A862 WeakPolarHBondContact O-CB 3.39Å; Q858-A862 PolarHBondContact O-N 3Å; A862-W865 PolarHBondContact O-N 3.45Å; A862-C866 WeakPolarHBondContact O-CB 3.47Å; A862-C866 PolarHBondContact O-N 3.46Å; A862-C866 PolarHBondContact O-SG 3.05Å; A862-L898 HydrophobicContact CB-CD2 4.36Å
863E85.4Confident85.3Confident59 Ų5939 Ų3928%0.27621%0.206SC..Hα-helixtrans-61.5-46.2176.2-169.3176.8165.700112Y859 H860 E861 W865 G867 L895 L898 K902Y859-E863 PolarHBondContact O-N 3.43Å; Y859-E863 VanDerWaalsContact O-N 3.15Å; H860-E863 PolarHBondContact O-N 3.36Å; E861-E863 VanDerWaalsContact C-N 3.3Å; E861-E863 PolarHBondContact O-N 3.45Å; E863-W865 PolarHBondContact O-N 3.01Å; E863-G867 PolarHBondContact O-N 3.34Å; E863-L895 HydrophobicContact CG-CD2 3.72Å; E863-L898 HydrophobicContact CB-CD1 3.93Å; E863-L898 HydrophobicContact CG-CD1 4.32Å; E863-K902 IonicContact OE2-NZ 3.97Å; E863-K902 PolarHBondContact OE2-NZ 3.25Å
864K88.4Confident85.3Confident89 Ų8946.3 Ų46.339%0.38723%0.234SC..Hα-helixtrans-59.7-46.8177.5-74.6175174.1170.90112W817 H860 E861 G867 L868W817-K864 HydrophobicContact CH2-CB 4Å; W817-K864 HydrophobicContact CZ3-CB 3.96Å; H860-K864 WeakPolarHBondContact CE1-CE 3.43Å; H860-K864 PolarHBondContact O-N 3.39Å; E861-K864 WeakPolarHBondContact O-CB 3.24Å; E861-K864 PolarHBondContact O-N 2.92Å; E861-K864 VanDerWaalsContact O-N 3.14Å; E861-K864 IonicContact OE1-NZ 3.37Å; E861-K864 PolarHBondContact OE1-NZ 3.43Å; E861-K864 IonicContact OE2-NZ 2.72Å; K864-G867 PolarHBondContact O-N 3.33Å; K864-L868 WeakPolarHBondContact O-CB 3.37Å; K864-L868 PolarHBondContact O-N 2.92Å
865W88.9Confident85.3Confident3 Ų345.8 Ų45.81%0.01123%0.233CC..Hα-helixtrans-67.9-41.7-179.1-83.593000112.9L813 L816 W817 F820 A846 A849 L853 E861 A862 E863 G867 L868 A869L813-W865 HydrophobicContact CD2-CZ2 4.46Å; L813-W865 WeakPolarHBondContact O-CZ2 3.49Å; L816-W865 HydrophobicContact CB-CH2 3.76Å; L816-W865 HydrophobicContact CB-CZ2 4.19Å; W817-W865 HydrophobicContact CB-CH2 4.28Å; W817-W865 HydrophobicContact CB-CZ2 3.99Å; W817-W865 HydrophobicContact CE3-CD2 4.02Å; W817-W865 AromaticContact CE3-CE2 3.73Å; W817-W865 HydrophobicContact CE3-CE3 4.47Å; W817-W865 HydrophobicContact CE3-CG 4.41Å; W817-W865 HydrophobicContact CE3-CH2 4.37Å; W817-W865 AromaticContact CE3-CZ2 3.95Å; W817-W865 HydrophobicContact CE3-CZ2 3.95Å; W817-W865 AromaticContact CE3-NE1 3.92Å; W817-W865 HydrophobicContact CZ3-CD2 4.23Å; W817-W865 HydrophobicContact CZ3-CG 4.24Å; F820-W865 AromaticContact CD2-CH2 3.76Å; F820-W865 HydrophobicContact CD2-CH2 3.76Å; F820-W865 AromaticContact CD2-CZ3 3.52Å; F820-W865 HydrophobicContact CD2-CZ3 3.52Å; F820-W865 HydrophobicContact CE2-CH2 4.02Å; F820-W865 AromaticContact CE2-CZ3 3.62Å; F820-W865 HydrophobicContact CE2-CZ3 3.62Å; F820-W865 HydrophobicContact CG-CZ3 4.28Å; F820-W865 HydrophobicContact CZ-CZ3 4.43Å; A846-W865 HydrophobicContact CB-CE3 4.35Å; A849-W865 HydrophobicContact CB-CD2 4.04Å; A849-W865 HydrophobicContact CB-CE3 3.7Å; A849-W865 HydrophobicContact CB-CZ3 4.15Å; L853-W865 HydrophobicContact CD1-CB 4.33Å; L853-W865 HydrophobicContact CD1-CD2 4.47Å; L853-W865 HydrophobicContact CD1-CG 3.74Å; E861-W865 VanDerWaalsContact O-CD1 3.22Å; E861-W865 PolarHBondContact O-N 3.2Å; A862-W865 PolarHBondContact O-N 3.45Å; E863-W865 PolarHBondContact O-N 3.01Å; W865-G867 VanDerWaalsContact C-N 3.33Å; W865-L868 HydrophobicContact CE3-CD2 4.16Å; W865-L868 HydrophobicContact CZ3-CD2 4.11Å; W865-L868 WeakPolarHBondContact O-CB 3.31Å; W865-L868 PolarHBondContact O-N 2.66Å; W865-A869 PolarHBondContact O-N 3.14Å
866C87.6Confident85.4Confident1 Ų142.2 Ų42.21%0.00721%0.208CC..Hα-helixtrans-64.2-38.8172-70.60000111.4W847 A862 A869 M870 Y891W847-C866 HydrophobicContact CE3-CB 4.18Å; W847-C866 HydrophobicContact CZ3-CB 4.11Å; A862-C866 WeakPolarHBondContact O-CB 3.47Å; A862-C866 PolarHBondContact O-N 3.46Å; A862-C866 PolarHBondContact O-SG 3.05Å; C866-A869 WeakPolarHBondContact O-CB 3.43Å; C866-A869 PolarHBondContact O-N 3.48Å; C866-M870 WeakPolarHBondContact O-CG 3.2Å; C866-M870 PolarHBondContact O-N 3.28Å; C866-M870 VanDerWaalsContact O-N 3.1Å; C866-Y891 HydrophobicContact CB-CD2 3.77Å; C866-Y891 HydrophobicContact CB-CE2 3.52Å
867G87.3Confident85.4Confident24 Ų2442.2 Ų42.225%0.24722%0.221CC..Hα-helixtrans-64-38.7173.700000113.1E863 K864 W865 M870 S871E863-G867 PolarHBondContact O-N 3.34Å; K864-G867 PolarHBondContact O-N 3.33Å; W865-G867 VanDerWaalsContact C-N 3.33Å; G867-M870 WeakPolarHBondContact O-CB 3.42Å; G867-M870 PolarHBondContact O-N 2.86Å; G867-S871 PolarHBondContact O-N 3.38Å; G867-S871 VanDerWaalsContact O-N 3.16Å
868L88.5Confident85.6Confident14 Ų1444.6 Ų44.67%0.07323%0.234CC..Hα-helixtrans-61.8-43.1172.9-174.467.4000111.2W817 F820 L824 K864 W865 M870 S871 F872W817-L868 HydrophobicContact CD2-CD2 4.2Å; W817-L868 HydrophobicContact CE3-CD2 3.74Å; W817-L868 HydrophobicContact CH2-CB 3.85Å; W817-L868 HydrophobicContact CH2-CD1 4.23Å; W817-L868 HydrophobicContact CH2-CD2 4.04Å; W817-L868 HydrophobicContact CH2-CG 4.27Å; W817-L868 HydrophobicContact CZ2-CD1 4.29Å; W817-L868 HydrophobicContact CZ2-CD2 4.46Å; W817-L868 HydrophobicContact CZ3-CB 3.9Å; W817-L868 HydrophobicContact CZ3-CD2 3.67Å; W817-L868 HydrophobicContact CZ3-CG 4.3Å; F820-L868 HydrophobicContact CB-CD2 3.65Å; F820-L868 HydrophobicContact CG-CD2 4.15Å; L824-L868 HydrophobicContact CD1-CD1 3.47Å; L824-L868 VanDerWaalsContact CD1-CD1 3.47Å; K864-L868 WeakPolarHBondContact O-CB 3.37Å; K864-L868 PolarHBondContact O-N 2.92Å; W865-L868 HydrophobicContact CE3-CD2 4.16Å; W865-L868 HydrophobicContact CZ3-CD2 4.11Å; W865-L868 WeakPolarHBondContact O-CB 3.31Å; W865-L868 PolarHBondContact O-N 2.66Å; L868-M870 VanDerWaalsContact C-N 3.32Å; L868-M870 PolarHBondContact O-N 3.18Å; L868-S871 VanDerWaalsContact O-CB 3.3Å; L868-S871 WeakPolarHBondContact O-CB 3.49Å; L868-S871 PolarHBondContact O-N 3.18Å; L868-S871 PolarHBondContact O-OG 3.09Å; L868-F872 HydrophobicContact CG-CE2 4.26Å; L868-F872 WeakPolarHBondContact O-CD2 3.43Å
869A88Confident85.7Confident0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-59.1-42174.400000112.5L843 A846 W847 W865 C866 S871 F872L843-A869 WeakPolarHBondContact O-CB 3.38Å; A846-A869 HydrophobicContact CB-CB 3.86Å; W847-A869 HydrophobicContact CB-CB 3.88Å; W847-A869 HydrophobicContact CE3-CB 3.92Å; W865-A869 PolarHBondContact O-N 3.14Å; C866-A869 WeakPolarHBondContact O-CB 3.43Å; C866-A869 PolarHBondContact O-N 3.48Å; A869-S871 PolarHBondContact O-N 3.34Å; A869-F872 PolarHBondContact O-N 3.36Å
870M88.3Confident85.9Confident36 Ų3645.4 Ų45.418%0.17724%0.237CC..Hα-helixtrans-61.9-28.5175.2-65-58.3-68.700112.5W847 C866 G867 L868 F872 I873 M887 T888 Y891W847-M870 HydrophobicContact CZ3-CG 4.5Å; W847-M870 HydrophobicContact CZ3-SD 4.13Å; C866-M870 WeakPolarHBondContact O-CG 3.2Å; C866-M870 PolarHBondContact O-N 3.28Å; C866-M870 VanDerWaalsContact O-N 3.1Å; G867-M870 WeakPolarHBondContact O-CB 3.42Å; G867-M870 PolarHBondContact O-N 2.86Å; L868-M870 VanDerWaalsContact C-N 3.32Å; L868-M870 PolarHBondContact O-N 3.18Å; M870-F872 VanDerWaalsContact C-N 3.3Å; M870-F872 PolarHBondContact O-N 2.99Å; M870-I873 HydrophobicContact CE-CD1 3.52Å; M870-I873 WeakPolarHBondContact O-CB 3.28Å; M870-I873 PolarHBondContact O-N 3.46Å; M870-I873 HydrophobicContact SD-CD1 3.48Å; M870-I873 WeakPolarHBondContact SD-CD1 3.45Å; M870-M887 HydrophobicContact CE-CB 4.38Å; M870-M887 HydrophobicContact SD-CB 3.8Å; M870-T888 WeakPolarHBondContact CE-OG1 3.4Å; M870-Y891 HydrophobicContact CG-CD1 4.02Å; M870-Y891 HydrophobicContact CG-CD2 3.99Å; M870-Y891 HydrophobicContact CG-CE1 4.33Å; M870-Y891 HydrophobicContact CG-CE2 4.32Å; M870-Y891 HydrophobicContact CG-CG 3.84Å; M870-Y891 HydrophobicContact SD-CG 4.17Å
871S88.1Confident85.8Confident20 Ų2047.5 Ų47.514%0.1425%0.247CC..Hα-helixtrans-65.9-31178.381.60000113L824 G867 L868 A869 I873 R874 H875L824-S871 VanDerWaalsContact CD1-OG 3.3Å; L824-S871 WeakPolarHBondContact CD1-OG 3.43Å; G867-S871 PolarHBondContact O-N 3.38Å; G867-S871 VanDerWaalsContact O-N 3.16Å; L868-S871 VanDerWaalsContact O-CB 3.3Å; L868-S871 WeakPolarHBondContact O-CB 3.49Å; L868-S871 PolarHBondContact O-N 3.18Å; L868-S871 PolarHBondContact O-OG 3.09Å; A869-S871 PolarHBondContact O-N 3.34Å; S871-I873 PolarHBondContact O-N 3.47Å; S871-R874 WeakPolarHBondContact O-CG 3.44Å; S871-R874 PolarHBondContact O-NE 2.96Å; S871-R874 VanDerWaalsContact O-NE 3.17Å; S871-H875 PolarHBondContact O-CD2 3.46Å
872F88.2Confident85.9Confident0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-72.2-23.6177.9-72-77.4000113.9F820 A823 L824 I827 T839 L842 L843 L868 A869 M870 R874 H875F820-F872 HydrophobicContact CB-CZ 4.39Å; F820-F872 AromaticContact CD1-CE2 3.81Å; F820-F872 HydrophobicContact CD1-CE2 3.81Å; F820-F872 AromaticContact CD1-CZ 3.81Å; F820-F872 HydrophobicContact CD1-CZ 3.81Å; A823-F872 HydrophobicContact CB-CE1 4.26Å; A823-F872 HydrophobicContact CB-CZ 4.35Å; L824-F872 HydrophobicContact CD1-CE1 4.47Å; L824-F872 HydrophobicContact CD1-CE2 4.24Å; L824-F872 HydrophobicContact CD1-CZ 4.04Å; L824-F872 HydrophobicContact CD2-CD1 3.4Å; L824-F872 VanDerWaalsContact CD2-CD1 3.4Å; L824-F872 HydrophobicContact CD2-CD2 4.22Å; L824-F872 HydrophobicContact CD2-CE1 3.32Å; L824-F872 HydrophobicContact CD2-CE2 4.14Å; L824-F872 HydrophobicContact CD2-CG 3.87Å; L824-F872 HydrophobicContact CD2-CZ 3.71Å; L824-F872 HydrophobicContact CG-CD1 4.11Å; L824-F872 HydrophobicContact CG-CE1 3.47Å; L824-F872 VanDerWaalsContact CG-CE1 3.47Å; L824-F872 HydrophobicContact CG-CE2 4.08Å; L824-F872 HydrophobicContact CG-CZ 3.46Å; L824-F872 VanDerWaalsContact CG-CZ 3.46Å; I827-F872 HydrophobicContact CD1-CD1 3.92Å; I827-F872 HydrophobicContact CD1-CE1 3.77Å; T839-F872 HydrophobicContact CG2-CB 4.3Å; T839-F872 HydrophobicContact CG2-CD1 4.33Å; L842-F872 HydrophobicContact CB-CD1 4.2Å; L842-F872 HydrophobicContact CB-CE1 3.95Å; L842-F872 HydrophobicContact CB-CE2 4.39Å; L842-F872 HydrophobicContact CB-CZ 4.06Å; L842-F872 HydrophobicContact CD1-CD1 4.5Å; L842-F872 HydrophobicContact CD1-CE1 3.89Å; L842-F872 HydrophobicContact CD1-CZ 4.44Å; L843-F872 HydrophobicContact CB-CB 3.9Å; L868-F872 HydrophobicContact CG-CE2 4.26Å; L868-F872 WeakPolarHBondContact O-CD2 3.43Å; A869-F872 PolarHBondContact O-N 3.36Å; M870-F872 VanDerWaalsContact C-N 3.3Å; M870-F872 PolarHBondContact O-N 2.99Å; F872-R874 VanDerWaalsContact C-N 3.28Å; F872-R874 PolarHBondContact O-N 3.4Å; F872-H875 WeakPolarHBondContact O-CB 3.44Å; F872-H875 PolarHBondContact O-N 2.91Å
873I86.2Confident86Confident4 Ų450.8 Ų50.82%0.02127%0.267CS..Hα-helixtrans-57.6-40.3-177.5-66.9172.6000111.9L843 M870 S871 H875 L876 R880 E884 M887L843-I873 HydrophobicContact CD1-CB 4.45Å; L843-I873 HydrophobicContact CD1-CD1 4.36Å; L843-I873 HydrophobicContact CD1-CG1 3.38Å; M870-I873 HydrophobicContact CE-CD1 3.52Å; M870-I873 WeakPolarHBondContact O-CB 3.28Å; M870-I873 PolarHBondContact O-N 3.46Å; M870-I873 HydrophobicContact SD-CD1 3.48Å; M870-I873 WeakPolarHBondContact SD-CD1 3.45Å; S871-I873 PolarHBondContact O-N 3.47Å; I873-H875 PolarHBondContact O-N 3.23Å; I873-H875 VanDerWaalsContact O-N 3.11Å; I873-L876 WeakPolarHBondContact O-CB 3.44Å; I873-L876 PolarHBondContact O-N 3.41Å; I873-R880 HydrophobicContact CG2-CG 4.39Å; I873-E884 HydrophobicContact CG2-CB 3.55Å; I873-E884 HydrophobicContact CG2-CG 3.87Å; I873-M887 HydrophobicContact CD1-CB 3.66Å; I873-M887 HydrophobicContact CD1-CG 4.21Å
874R84Confident86Confident156 Ų15651.4 Ų51.459%0.58927%0.27SS*.THydrogen-bonded Turntrans-64.3-17.4-178.978.8-170.970.1-168.8-1.7113.2S871 F872S871-R874 WeakPolarHBondContact O-CG 3.44Å; S871-R874 PolarHBondContact O-NE 2.96Å; S871-R874 VanDerWaalsContact O-NE 3.17Å; F872-R874 VanDerWaalsContact C-N 3.28Å; F872-R874 PolarHBondContact O-N 3.4Å
875H83.4Confident85.8Confident50 Ų5052.4 Ų52.423%0.23128%0.284CS..THydrogen-bonded Turntrans-1002.4-179.7-59-74.8000112.8I827 S828 T839 S871 F872 I873I827-H875 HydrophobicContact CG2-CB 3.52Å; S828-H875 PolarHBondContact OG-CE1 2.92Å; T839-H875 HydrophobicContact CG2-CB 4.04Å; S871-H875 PolarHBondContact O-CD2 3.46Å; F872-H875 WeakPolarHBondContact O-CB 3.44Å; F872-H875 PolarHBondContact O-N 2.91Å; I873-H875 PolarHBondContact O-N 3.23Å; I873-H875 VanDerWaalsContact O-N 3.11Å
876L84.2Confident85.5Confident9 Ų957.7 Ų57.75%0.04731%0.308CS..  trans-77.4145.8166.7-62.9173.7000109.6E836 T839 L840 L843 I873 R880 Y883E836-L876 HydrophobicContact CG-CD2 4.31Å; T839-L876 HydrophobicContact CG2-CD2 3.87Å; T839-L876 HydrophobicContact CG2-CG 4.42Å; L840-L876 HydrophobicContact CB-CD2 4.17Å; L843-L876 HydrophobicContact CD1-CD1 4.17Å; I873-L876 WeakPolarHBondContact O-CB 3.44Å; I873-L876 PolarHBondContact O-N 3.41Å; L876-R880 HydrophobicContact CB-CB 3.88Å; L876-R880 WeakPolarHBondContact O-CB 3.3Å; L876-Y883 HydrophobicContact CD1-CG 4.42Å
877G83.3Confident85.5Confident56 Ų5658.3 Ų58.358%0.57731%0.311SS*.SBendtrans-96.3-93.5177.600000110.8E836 L879 R880E836-G877 VanDerWaalsContact OE1-CA 3.27Å; E836-G877 WeakPolarHBondContact OE1-CA 3.19Å; E836-G877 PolarHBondContact OE1-N 2.7Å; G877-L879 VanDerWaalsContact C-N 3.31Å; G877-L879 PolarHBondContact O-N 3.37Å; G877-R880 PolarHBondContact O-N 3.24Å
878S84.1Confident85.3Confident103 Ų10360.4 Ų60.472%0.7232%0.32SS*.THydrogen-bonded Turntrans-65.9-28.9179.869.20000113.9E836E836-S878 PolarHBondContact OE1-N 3.2Å; E836-S878 PolarHBondContact OE1-OG 3.31Å; E836-S878 PolarHBondContact OE2-OG 3.15Å
879L84.8Confident85.1Confident48 Ų4861.7 Ų61.725%0.25134%0.336SS..THydrogen-bonded Turntrans-88.5-6.7-176.1-63.6178.6000113.9E836 M837 L840 G877 Y883E836-L879 HydrophobicContact CG-CD1 4.32Å; E836-L879 PolarHBondContact OE1-N 2.95Å; M837-L879 HydrophobicContact SD-CD1 4.28Å; L840-L879 HydrophobicContact CD2-CD1 3.95Å; G877-L879 VanDerWaalsContact C-N 3.31Å; G877-L879 PolarHBondContact O-N 3.37Å; L879-Y883 HydrophobicContact CB-CD2 4.1Å; L879-Y883 HydrophobicContact CB-CE2 4.43Å; L879-Y883 WeakPolarHBondContact O-CD2 3.44Å; L879-Y883 PolarHBondContact O-N 3.35Å
880R85.9Confident84.8Confident97 Ų9765.5 Ų65.537%0.36636%0.356SS..Hα-helixtrans-59.1-55-170-177.5174.1168179-1.4113.6I873 L876 G877 S882 Y883 E884I873-R880 HydrophobicContact CG2-CG 4.39Å; L876-R880 HydrophobicContact CB-CB 3.88Å; L876-R880 WeakPolarHBondContact O-CB 3.3Å; G877-R880 PolarHBondContact O-N 3.24Å; R880-S882 VanDerWaalsContact C-N 3.27Å; R880-S882 PolarHBondContact O-N 3.01Å; R880-Y883 PolarHBondContact O-N 3.06Å; R880-E884 WeakPolarHBondContact CG-OE2 3.33Å; R880-E884 IonicContact CZ-OE2 3.68Å; R880-E884 IonicContact NE-OE2 2.91Å; R880-E884 PolarHBondContact NE-OE2 2.94Å; R880-E884 IonicContact NH2-OE1 2.84Å; R880-E884 IonicContact NH2-OE2 2.79Å; R880-E884 WeakPolarHBondContact O-CB 3.27Å; R880-E884 PolarHBondContact O-N 3.17Å
881E82.1Confident84.6Confident165 Ų16566.1 Ų66.177%0.77136%0.357SS*.Hα-helixtrans-59.3-38.5-173.3-69.7-174.8165.200112.7T885E881-T885 PolarHBondContact O-N 2.89Å; E881-T885 PolarHBondContact O-OG1 3.43Å
882S83.8Confident84.4Confident64 Ų6468 Ų6845%0.44837%0.37SS..Hα-helixtrans-67.6-49.5178.2-178.70000111.8R880 Q886R880-S882 VanDerWaalsContact C-N 3.27Å; R880-S882 PolarHBondContact O-N 3.01Å; S882-Q886 WeakPolarHBondContact O-CG 3.39Å; S882-Q886 PolarHBondContact O-N 2.84Å
883Y85.8Confident84Confident68 Ų6872.1 Ų72.127%0.26739%0.389SS..Hα-helixtrans-76.6-33.7-176.9-83.1-89.9000112.8L840 L876 L879 R880 T885 Q886 M887L840-Y883 HydrophobicContact CD1-CD1 3.84Å; L840-Y883 HydrophobicContact CD1-CD2 4.17Å; L840-Y883 HydrophobicContact CD1-CE1 3.51Å; L840-Y883 HydrophobicContact CD1-CE2 3.85Å; L840-Y883 HydrophobicContact CD1-CG 4.16Å; L840-Y883 HydrophobicContact CD2-CE2 4.28Å; L876-Y883 HydrophobicContact CD1-CG 4.42Å; L879-Y883 HydrophobicContact CB-CD2 4.1Å; L879-Y883 HydrophobicContact CB-CE2 4.43Å; L879-Y883 WeakPolarHBondContact O-CD2 3.44Å; L879-Y883 PolarHBondContact O-N 3.35Å; R880-Y883 PolarHBondContact O-N 3.06Å; Y883-T885 VanDerWaalsContact C-N 3.34Å; Y883-T885 PolarHBondContact O-N 3.34Å; Y883-Q886 PolarHBondContact O-N 3.09Å; Y883-M887 HydrophobicContact CD1-CG 4.38Å; Y883-M887 WeakPolarHBondContact O-CB 3.34Å; Y883-M887 WeakPolarHBondContact O-CG 3.27Å; Y883-M887 PolarHBondContact O-N 2.87Å
884E86.1Confident83.8Confident73 Ų7372.8 Ų72.834%0.34139%0.393SS..Hα-helixtrans-60-44.8176-170.4162.3-170.200110.7I873 R880 T888I873-E884 HydrophobicContact CG2-CB 3.55Å; I873-E884 HydrophobicContact CG2-CG 3.87Å; R880-E884 WeakPolarHBondContact CG-OE2 3.33Å; R880-E884 IonicContact CZ-OE2 3.68Å; R880-E884 IonicContact NE-OE2 2.91Å; R880-E884 PolarHBondContact NE-OE2 2.94Å; R880-E884 IonicContact NH2-OE1 2.84Å; R880-E884 IonicContact NH2-OE2 2.79Å; R880-E884 WeakPolarHBondContact O-CB 3.27Å; R880-E884 PolarHBondContact O-N 3.17Å; E884-T888 WeakPolarHBondContact O-CB 3.31Å; E884-T888 PolarHBondContact O-N 3.44Å; E884-T888 PolarHBondContact O-OG1 3.3Å
885T84.1Confident83.6Confident109 Ų10967.6 Ų67.667%0.66938%0.376SS*.Hα-helixtrans-66.2-46.8178.4-50.70000112.2E881 Y883 G889E881-T885 PolarHBondContact O-N 2.89Å; E881-T885 PolarHBondContact O-OG1 3.43Å; Y883-T885 VanDerWaalsContact C-N 3.34Å; Y883-T885 PolarHBondContact O-N 3.34Å; T885-G889 PolarHBondContact O-N 2.94Å
886Q82.8Confident83.5Confident114 Ų11470 Ų7053%0.53339%0.391SS..Hα-helixtrans-68.5-48-178.3-69.9177.4800112.2S882 Y883 G889 L890S882-Q886 WeakPolarHBondContact O-CG 3.39Å; S882-Q886 PolarHBondContact O-N 2.84Å; Y883-Q886 PolarHBondContact O-N 3.09Å; Q886-G889 PolarHBondContact O-N 3.44Å; Q886-L890 WeakPolarHBondContact O-CG 3.45Å; Q886-L890 PolarHBondContact O-N 3.17Å; Q886-L890 VanDerWaalsContact O-N 3.08Å
887M85.8Confident83.2Confident14 Ų1475.7 Ų75.77%0.06941%0.412CS..Hα-helixtrans-72.4-34-175.8-62.7-68.1-72.200111.9L843 W847 M870 I873 Y883 G889 L890 Y891L843-M887 HydrophobicContact CD2-CE 3.63Å; L843-M887 HydrophobicContact CD2-SD 4.35Å; L843-M887 HydrophobicContact CG-CE 4.44Å; W847-M887 HydrophobicContact CB-CE 4.02Å; W847-M887 HydrophobicContact CD2-CE 3.26Å; W847-M887 HydrophobicContact CD2-SD 4.48Å; W847-M887 HydrophobicContact CE3-CE 3.27Å; W847-M887 HydrophobicContact CG-CE 3.62Å; W847-M887 HydrophobicContact CH2-CE 4.19Å; W847-M887 HydrophobicContact CZ2-CE 4.23Å; W847-M887 HydrophobicContact CZ3-CE 3.75Å; M870-M887 HydrophobicContact CE-CB 4.38Å; M870-M887 HydrophobicContact SD-CB 3.8Å; I873-M887 HydrophobicContact CD1-CB 3.66Å; I873-M887 HydrophobicContact CD1-CG 4.21Å; Y883-M887 HydrophobicContact CD1-CG 4.38Å; Y883-M887 WeakPolarHBondContact O-CB 3.34Å; Y883-M887 WeakPolarHBondContact O-CG 3.27Å; Y883-M887 PolarHBondContact O-N 2.87Å; M887-G889 VanDerWaalsContact C-N 3.33Å; M887-G889 PolarHBondContact O-N 2.9Å; M887-L890 PolarHBondContact O-N 3.14Å; M887-L890 HydrophobicContact SD-CD1 4.37Å; M887-Y891 WeakPolarHBondContact O-CB 3.43Å; M887-Y891 PolarHBondContact O-N 2.96Å
888T84.1Confident82.9Confident69 Ų6973 Ų7342%0.42338%0.384SS..Hα-helixtrans-64.8-38.2175.2-55.90000111.6M870 E884 Y891 S892M870-T888 WeakPolarHBondContact CE-OG1 3.4Å; E884-T888 WeakPolarHBondContact O-CB 3.31Å; E884-T888 PolarHBondContact O-N 3.44Å; E884-T888 PolarHBondContact O-OG1 3.3Å; T888-Y891 PolarHBondContact O-N 3.3Å; T888-S892 PolarHBondContact O-N 3.29Å; T888-S892 PolarHBondContact O-OG 3.49Å
889G83.8Confident82.6Confident41 Ų4171.9 Ų71.942%0.42337%0.37SS..Hα-helixtrans-64.4-46.3172.800000112.6T885 Q886 M887 Y891 S892 E893T885-G889 PolarHBondContact O-N 2.94Å; Q886-G889 PolarHBondContact O-N 3.44Å; M887-G889 VanDerWaalsContact C-N 3.33Å; M887-G889 PolarHBondContact O-N 2.9Å; G889-Y891 VanDerWaalsContact C-N 3.34Å; G889-Y891 PolarHBondContact O-N 3.3Å; G889-S892 WeakPolarHBondContact CA-OG 3.49Å; G889-S892 PolarHBondContact O-OG 2.77Å; G889-E893 PolarHBondContact O-N 2.82Å; G889-E893 VanDerWaalsContact O-N 3.13Å
890L82.3Confident82.1Confident79 Ų7976.1 Ų76.141%0.41439%0.386SS..Hα-helixtrans-67-34.4176.9-67169.1000112.5W847 Q886 M887 E893 I894W847-L890 HydrophobicContact CH2-CB 3.95Å; W847-L890 HydrophobicContact CZ2-CB 3.62Å; W847-L890 HydrophobicContact CZ2-CD1 4.49Å; Q886-L890 WeakPolarHBondContact O-CG 3.45Å; Q886-L890 PolarHBondContact O-N 3.17Å; Q886-L890 VanDerWaalsContact O-N 3.08Å; M887-L890 PolarHBondContact O-N 3.14Å; M887-L890 HydrophobicContact SD-CD1 4.37Å; L890-E893 PolarHBondContact O-N 2.93Å; L890-I894 WeakPolarHBondContact O-CD1 3.48Å; L890-I894 VanDerWaalsContact O-CG1 3.29Å; L890-I894 WeakPolarHBondContact O-CG1 3.46Å; L890-I894 PolarHBondContact O-N 2.96Å
891Y83.8Confident81.2Confident49 Ų4972.1 Ų72.119%0.19237%0.374CS..Hα-helixtrans-70.8-41.3-179.2-173.1-117.3000111.2W847 C866 M870 M887 T888 G889 I894 L895W847-Y891 HydrophobicContact CH2-CD2 4.16Å; W847-Y891 AromaticContact CZ3-CD2 3.83Å; W847-Y891 HydrophobicContact CZ3-CD2 3.83Å; W847-Y891 HydrophobicContact CZ3-CG 4.36Å; C866-Y891 HydrophobicContact CB-CD2 3.77Å; C866-Y891 HydrophobicContact CB-CE2 3.52Å; M870-Y891 HydrophobicContact CG-CD1 4.02Å; M870-Y891 HydrophobicContact CG-CD2 3.99Å; M870-Y891 HydrophobicContact CG-CE1 4.33Å; M870-Y891 HydrophobicContact CG-CE2 4.32Å; M870-Y891 HydrophobicContact CG-CG 3.84Å; M870-Y891 HydrophobicContact SD-CG 4.17Å; M887-Y891 WeakPolarHBondContact O-CB 3.43Å; M887-Y891 PolarHBondContact O-N 2.96Å; T888-Y891 PolarHBondContact O-N 3.3Å; G889-Y891 VanDerWaalsContact C-N 3.34Å; G889-Y891 PolarHBondContact O-N 3.3Å; Y891-I894 PolarHBondContact O-N 2.9Å; Y891-L895 HydrophobicContact CD1-CD1 3.87Å; Y891-L895 HydrophobicContact CD1-CG 4.42Å; Y891-L895 HydrophobicContact CE1-CD1 3.55Å; Y891-L895 HydrophobicContact CE1-CG 4.18Å; Y891-L895 HydrophobicContact CE2-CG 4.43Å; Y891-L895 WeakPolarHBondContact O-CB 3.47Å; Y891-L895 VanDerWaalsContact O-CG 3.32Å; Y891-L895 WeakPolarHBondContact O-CG 3.39Å; Y891-L895 PolarHBondContact O-N 3.27Å
892S83.3Confident80.3Confident59 Ų5967.6 Ų67.641%0.41335%0.352SS..Hα-helixtrans-63.3-40.1172.640.10000112T888 G889 I894 L895 D896T888-S892 PolarHBondContact O-N 3.29Å; T888-S892 PolarHBondContact O-OG 3.49Å; G889-S892 WeakPolarHBondContact CA-OG 3.49Å; G889-S892 PolarHBondContact O-OG 2.77Å; S892-I894 PolarHBondContact O-N 2.72Å; S892-L895 PolarHBondContact O-N 3.29Å; S892-D896 WeakPolarHBondContact O-CB 3.29Å; S892-D896 PolarHBondContact O-N 3.28Å
893E81.1Confident79.4Confident87 Ų8771.5 Ų71.541%0.40736%0.361SS..Hα-helixtrans-63.5-40.5173.5-173.1178.4-177.800112.7G889 L890 D896 R897G889-E893 PolarHBondContact O-N 2.82Å; G889-E893 VanDerWaalsContact O-N 3.13Å; L890-E893 PolarHBondContact O-N 2.93Å; E893-D896 PolarHBondContact O-N 3.06Å; E893-R897 WeakPolarHBondContact O-CB 3.46Å; E893-R897 VanDerWaalsContact O-CG 3.25Å; E893-R897 WeakPolarHBondContact O-CG 3.32Å; E893-R897 PolarHBondContact O-N 2.95Å; E893-R897 IonicContact OE1-CZ 3.58Å; E893-R897 VanDerWaalsContact OE1-CZ 3.27Å; E893-R897 IonicContact OE1-NE 3.81Å; E893-R897 PolarHBondContact OE1-NE 3.12Å; E893-R897 IonicContact OE1-NH2 3.7Å; E893-R897 PolarHBondContact OE1-NH2 2.75Å
894I81.3Confident78.1Confident19 Ų1973.4 Ų73.410%0.09738%0.376CS..Hα-helixtrans-68.3-42.1177.2-72.1164.2000111.3W847 I851 L890 Y891 S892 R897 L898W847-I894 HydrophobicContact CH2-CD1 3.65Å; W847-I894 HydrophobicContact CZ2-CD1 3.23Å; I851-I894 HydrophobicContact CD1-CD1 3.41Å; I851-I894 VanDerWaalsContact CD1-CD1 3.41Å; I851-I894 HydrophobicContact CD1-CG1 4.33Å; L890-I894 WeakPolarHBondContact O-CD1 3.48Å; L890-I894 VanDerWaalsContact O-CG1 3.29Å; L890-I894 WeakPolarHBondContact O-CG1 3.46Å; L890-I894 PolarHBondContact O-N 2.96Å; Y891-I894 PolarHBondContact O-N 2.9Å; S892-I894 PolarHBondContact O-N 2.72Å; I894-R897 PolarHBondContact O-N 2.95Å; I894-L898 HydrophobicContact CG2-CD1 3.68Å; I894-L898 HydrophobicContact CG2-CG 4.13Å; I894-L898 VanDerWaalsContact O-CB 3.29Å; I894-L898 WeakPolarHBondContact O-CB 3.41Å; I894-L898 VanDerWaalsContact O-CG 3.22Å; I894-L898 WeakPolarHBondContact O-CG 3.29Å; I894-L898 PolarHBondContact O-N 3.09Å
895L80.9Confident76.6Confident46 Ų4674.4 Ų74.424%0.24138%0.382CS..Hα-helixtrans-60.7-44174.6-72.7176.2000111.5E863 Y891 S892 R897 L898 D899E863-L895 HydrophobicContact CG-CD2 3.72Å; Y891-L895 HydrophobicContact CD1-CD1 3.87Å; Y891-L895 HydrophobicContact CD1-CG 4.42Å; Y891-L895 HydrophobicContact CE1-CD1 3.55Å; Y891-L895 HydrophobicContact CE1-CG 4.18Å; Y891-L895 HydrophobicContact CE2-CG 4.43Å; Y891-L895 WeakPolarHBondContact O-CB 3.47Å; Y891-L895 VanDerWaalsContact O-CG 3.32Å; Y891-L895 WeakPolarHBondContact O-CG 3.39Å; Y891-L895 PolarHBondContact O-N 3.27Å; S892-L895 PolarHBondContact O-N 3.29Å; L895-R897 VanDerWaalsContact C-N 3.32Å; L895-R897 PolarHBondContact O-N 3.14Å; L895-L898 HydrophobicContact CD2-CD1 4.36Å; L895-L898 WeakPolarHBondContact O-CB 3.5Å; L895-L898 PolarHBondContact O-N 2.87Å; L895-D899 WeakPolarHBondContact O-CB 3.33Å; L895-D899 PolarHBondContact O-N 2.98Å
896D81.4Confident75Confident101 Ų10177.5 Ų77.554%0.5439%0.389SS..Hα-helixtrans-61.8-39.1175.1-86.1-6.8000112.4S892 E893 K900S892-D896 WeakPolarHBondContact O-CB 3.29Å; S892-D896 PolarHBondContact O-N 3.28Å; E893-D896 PolarHBondContact O-N 3.06Å; D896-K900 VanDerWaalsContact O-CG 3.29Å; D896-K900 WeakPolarHBondContact O-CG 3.47Å; D896-K900 PolarHBondContact O-N 3.48Å
897R77Confident73.3Confident129 Ų12977.1 Ų77.149%0.48739%0.394SS..Hα-helixtrans-71.6-38.9176.2-73.6177.5-176.8-152.74.1112Y854 E893 I894 L895 K900 A901Y854-R897 HydrophobicContact CE2-CB 4.36Å; E893-R897 WeakPolarHBondContact O-CB 3.46Å; E893-R897 VanDerWaalsContact O-CG 3.25Å; E893-R897 WeakPolarHBondContact O-CG 3.32Å; E893-R897 PolarHBondContact O-N 2.95Å; E893-R897 IonicContact OE1-CZ 3.58Å; E893-R897 VanDerWaalsContact OE1-CZ 3.27Å; E893-R897 IonicContact OE1-NE 3.81Å; E893-R897 PolarHBondContact OE1-NE 3.12Å; E893-R897 IonicContact OE1-NH2 3.7Å; E893-R897 PolarHBondContact OE1-NH2 2.75Å; I894-R897 PolarHBondContact O-N 2.95Å; L895-R897 VanDerWaalsContact C-N 3.32Å; L895-R897 PolarHBondContact O-N 3.14Å; R897-K900 PolarHBondContact O-N 3.44Å; R897-A901 WeakPolarHBondContact O-CB 3.36Å; R897-A901 PolarHBondContact O-N 3.47Å
898L77.6Confident71.3Confident0 Ų085.1 Ų85.10%043%0.432CS..Hα-helixtrans-62.3-45173.9-80167.8000111.5Y854 Y859 A862 E863 I894 L895 K900 A901 K902Y854-L898 HydrophobicContact CD2-CD2 3.53Å; Y854-L898 HydrophobicContact CD2-CG 3.87Å; Y854-L898 HydrophobicContact CE2-CD2 3.77Å; Y854-L898 HydrophobicContact CE2-CG 3.86Å; Y859-L898 VanDerWaalsContact CB-CD2 3.48Å; Y859-L898 HydrophobicContact CD1-CD2 3.52Å; Y859-L898 HydrophobicContact CG-CD2 3.88Å; Y859-L898 WeakPolarHBondContact O-CD2 3.38Å; A862-L898 HydrophobicContact CB-CD2 4.36Å; E863-L898 HydrophobicContact CB-CD1 3.93Å; E863-L898 HydrophobicContact CG-CD1 4.32Å; I894-L898 HydrophobicContact CG2-CD1 3.68Å; I894-L898 HydrophobicContact CG2-CG 4.13Å; I894-L898 VanDerWaalsContact O-CB 3.29Å; I894-L898 WeakPolarHBondContact O-CB 3.41Å; I894-L898 VanDerWaalsContact O-CG 3.22Å; I894-L898 WeakPolarHBondContact O-CG 3.29Å; I894-L898 PolarHBondContact O-N 3.09Å; L895-L898 HydrophobicContact CD2-CD1 4.36Å; L895-L898 WeakPolarHBondContact O-CB 3.5Å; L895-L898 PolarHBondContact O-N 2.87Å; L898-K900 VanDerWaalsContact C-N 3.31Å; L898-K900 PolarHBondContact O-N 3.17Å; L898-A901 PolarHBondContact O-N 3.39Å; L898-K902 WeakPolarHBondContact O-CB 3.36Å; L898-K902 WeakPolarHBondContact O-CG 3.35Å; L898-K902 PolarHBondContact O-N 3.45Å
899D76.4Confident69Low78 Ų7894.2 Ų94.242%0.41747%0.469SS..Hα-helixtrans-65.4-34.6177.6-84.9-8000112.3L895 K903L895-D899 WeakPolarHBondContact O-CB 3.33Å; L895-D899 PolarHBondContact O-N 2.98Å; D899-K903 WeakPolarHBondContact O-CD 3.46Å; D899-K903 VanDerWaalsContact O-CG 3.23Å; D899-K903 WeakPolarHBondContact O-CG 3.39Å; D899-K903 PolarHBondContact O-N 3.34Å
900K75.5Confident68.3Low137 Ų13796.9 Ų96.960%0.59647%0.472SS*.Hα-helixtrans-69.1-42.3171.2-73.3170.4-174.3169.80111.8D896 R897 L898 K903 N904D896-K900 VanDerWaalsContact O-CG 3.29Å; D896-K900 WeakPolarHBondContact O-CG 3.47Å; D896-K900 PolarHBondContact O-N 3.48Å; R897-K900 PolarHBondContact O-N 3.44Å; L898-K900 VanDerWaalsContact C-N 3.31Å; L898-K900 PolarHBondContact O-N 3.17Å; K900-K903 PolarHBondContact O-N 3Å; K900-N904 PolarHBondContact O-N 3.13Å; K900-N904 VanDerWaalsContact O-N 3.1Å
901A66.5Low67.5Low13 Ų1397.8 Ų97.811%0.10748%0.475CS..Hα-helixtrans-69.3-39179.500000113Y859 R897 L898 K903 N904 I905Y859-A901 HydrophobicContact CD1-CB 4.28Å; Y859-A901 HydrophobicContact CD2-CB 4.27Å; Y859-A901 HydrophobicContact CE1-CB 3.82Å; Y859-A901 HydrophobicContact CE2-CB 3.83Å; Y859-A901 HydrophobicContact CG-CB 4.47Å; R897-A901 WeakPolarHBondContact O-CB 3.36Å; R897-A901 PolarHBondContact O-N 3.47Å; L898-A901 PolarHBondContact O-N 3.39Å; A901-K903 VanDerWaalsContact C-N 3.32Å; A901-K903 PolarHBondContact O-N 2.91Å; A901-N904 PolarHBondContact O-N 3.48Å; A901-I905 PolarHBondContact O-N 3.15Å; A901-I905 VanDerWaalsContact O-N 3.09Å
902K63.5Low66.6Low70 Ų70100.5 Ų100.530%0.30449%0.49SS..Hα-helixtrans-60.6-38.9172-74.1173.9-174.11700111.8E863 L898E863-K902 IonicContact OE2-NZ 3.97Å; E863-K902 PolarHBondContact OE2-NZ 3.25Å; L898-K902 WeakPolarHBondContact O-CB 3.36Å; L898-K902 WeakPolarHBondContact O-CG 3.35Å; L898-K902 PolarHBondContact O-N 3.45Å
903K65.3Low65.7Low147 Ų147102.9 Ų102.964%0.63950%0.495SS*.Hα-helixtrans-68.4-32.6175-74.2170.8-175.4170.90112.9D899 K900 A901 T907D899-K903 WeakPolarHBondContact O-CD 3.46Å; D899-K903 VanDerWaalsContact O-CG 3.23Å; D899-K903 WeakPolarHBondContact O-CG 3.39Å; D899-K903 PolarHBondContact O-N 3.34Å; K900-K903 PolarHBondContact O-N 3Å; A901-K903 VanDerWaalsContact C-N 3.32Å; A901-K903 PolarHBondContact O-N 2.91Å; K903-T907 PolarHBondContact O-OG1 3.35Å; K903-T907 VanDerWaalsContact O-OG1 3.12Å
904N58.6Low64.7Low108 Ų108103.9 Ų103.958%0.57850%0.5SS*.Hα-helixtrans-77.2-31.8178.8-71.9-7.1000113.5K900 A901 H906 T907K900-N904 PolarHBondContact O-N 3.13Å; K900-N904 VanDerWaalsContact O-N 3.1Å; A901-N904 PolarHBondContact O-N 3.48Å; N904-H906 VanDerWaalsContact C-N 3.3Å; N904-H906 PolarHBondContact O-N 3Å; N904-T907 WeakPolarHBondContact CA-OG1 3.5Å; N904-T907 PolarHBondContact O-N 3.15Å; N904-T907 VanDerWaalsContact O-N 3.11Å; N904-T907 PolarHBondContact O-OG1 2.85Å
905I54.1Low63.6Low94 Ų94109.6 Ų109.648%0.48253%0.527SS..Hα-helixtrans-64.9-34.8174.3-67.5162.3000111.7Y859 A901 T907Y859-I905 HydrophobicContact CD2-CD1 3.43Å; Y859-I905 VanDerWaalsContact CD2-CD1 3.43Å; Y859-I905 HydrophobicContact CE2-CD1 3.32Å; Y859-I905 HydrophobicContact CE2-CG1 4.21Å; A901-I905 PolarHBondContact O-N 3.15Å; A901-I905 VanDerWaalsContact O-N 3.09Å; I905-T907 PolarHBondContact O-N 3.36Å
906H50.4Low62.4Low173 Ų173114.1 Ų114.180%0.80155%0.548SS*.THydrogen-bonded Turntrans-74.72.3175.1-73.4-24.3000114.3N904N904-H906 VanDerWaalsContact C-N 3.3Å; N904-H906 PolarHBondContact O-N 3Å
907T47.8Very low60.9Low106 Ų106115.2 Ų115.265%0.6555%0.548SS*.THydrogen-bonded Turntrans-1151.2177.729.30000114.3K903 N904 I905K903-T907 PolarHBondContact O-OG1 3.35Å; K903-T907 VanDerWaalsContact O-OG1 3.12Å; N904-T907 WeakPolarHBondContact CA-OG1 3.5Å; N904-T907 PolarHBondContact O-N 3.15Å; N904-T907 VanDerWaalsContact O-N 3.11Å; N904-T907 PolarHBondContact O-OG1 2.85Å; I905-T907 PolarHBondContact O-N 3.36Å
908E43.1Very low59.6Low183 Ų183114 Ų11486%0.85555%0.553SS**  trans-124.251.8170-73.5-170.5160.400112.3
909E36Very low57.9Low259 Ų259124.4 Ų124.4100%1.2160%0.604SS**  trans-104.90151-92.8-171.5169.200110.4

Retrieved 909 of 909 residues in 656.2 ms (Link to these results)

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