A0A077Z2A1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2A1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 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
1M40.5Very low54.1Low233 Ų233130.5 Ų130.5100%1.14867%0.669SS**  0115.80-72.3174.9-175.900107.5N3M1-N3 PolarHBondContact O-N 2.72Å; M1-N3 VanDerWaalsContact O-N 3.11Å
2R48.7Very low54.6Low217 Ų217123.8 Ų123.882%0.81964%0.635SS**  trans-68.5108.2-179-173.5175.6168.1-176.9-2.7107.1N4R2-N4 PolarHBondContact NE-OD1 3.11Å; R2-N4 PolarHBondContact O-N 3.41Å
3N49.5Very low54.8Low151 Ų151119.7 Ų119.781%0.80762%0.615SS**  trans-62.881.7174.8-76.612.8000108.6M1 F5M1-N3 PolarHBondContact O-N 2.72Å; M1-N3 VanDerWaalsContact O-N 3.11Å; N3-F5 PolarHBondContact O-N 3.35Å
4N58.1Low55Low112 Ų112115.3 Ų115.360%0.59960%0.599SS**  trans-73.8-9.6-179.6-77.9-44000112.3R2 P6R2-N4 PolarHBondContact NE-OD1 3.11Å; R2-N4 PolarHBondContact O-N 3.41Å; N4-P6 VanDerWaalsContact O-CD 3.28Å; N4-P6 WeakPolarHBondContact O-CD 3.35Å
5F55.1Low55.3Low171 Ų171115.9 Ų115.975%0.7560%0.595SS**SBendtrans-88.5108.5170-68.7-74.6000108.7N3N3-F5 PolarHBondContact O-N 3.35Å
6P55.5Low56.1Low44 Ų44116.3 Ų116.329%0.28659%0.591SS.*  trans-59.1145.2173.626.2-33000109N4 L8 N12N4-P6 VanDerWaalsContact O-CD 3.28Å; N4-P6 WeakPolarHBondContact O-CD 3.35Å; P6-L8 PolarHBondContact O-N 3.09Å; P6-N12 HydrophobicContact CB-CB 4.44Å
7S58.1Low56.8Low76 Ų76113.1 Ų113.153%0.53157%0.571SS.*  trans-50142.6-179.1550000111.3T9 N12S7-T9 PolarHBondContact O-N 2.71Å; S7-T9 PolarHBondContact OG-OG1 3.49Å; S7-T9 VanDerWaalsContact OG-OG1 3.09Å; S7-N12 WeakPolarHBondContact O-CB 3.4Å; S7-N12 PolarHBondContact O-ND2 2.83Å
8L54.6Low57.9Low128 Ų128109.3 Ų109.367%0.6755%0.552SS**  trans-66.341.7175.3-83.3150.5000112.9P6 L13 Y17P6-L8 PolarHBondContact O-N 3.09Å; L8-L13 HydrophobicContact CD2-CD1 4.16Å; L8-L13 HydrophobicContact CD2-CD2 4.32Å; L8-L13 HydrophobicContact CD2-CG 4.24Å; L8-Y17 HydrophobicContact CD2-CE2 4.42Å
9T60.6Low58.9Low76 Ų76104.7 Ų104.747%0.46653%0.531SS..  trans-74.6139.6170.4-53.90000108.5S7 K11 N12 L13S7-T9 PolarHBondContact O-N 2.71Å; S7-T9 PolarHBondContact OG-OG1 3.49Å; S7-T9 VanDerWaalsContact OG-OG1 3.09Å; T9-K11 PolarHBondContact O-N 3.14Å; T9-N12 WeakPolarHBondContact O-CA 3.47Å; T9-N12 PolarHBondContact O-N 2.91Å; T9-L13 PolarHBondContact O-N 2.97Å; T9-L13 VanDerWaalsContact O-N 3.14Å
10G55.7Low59.9Low49 Ų49104 Ų10451%0.50553%0.527SS..Hα-helixtrans-50.9-31.5-175.800000115C14G10-C14 PolarHBondContact O-N 3.23Å
11K58.3Low60.9Low179 Ų179101.4 Ų101.478%0.77852%0.519SS*.Hα-helixtrans-65.4-39173.2-77.2-178177175.20113.5T9 K15T9-K11 PolarHBondContact O-N 3.14Å; K11-K15 VanDerWaalsContact O-CB 3.24Å; K11-K15 WeakPolarHBondContact O-CB 3.28Å; K11-K15 PolarHBondContact O-N 2.88Å; K11-K15 VanDerWaalsContact O-N 3.08Å
12N60Low63Low49 Ų4990.3 Ų90.326%0.26247%0.465SS..Hα-helixtrans-74.8-35.4178.2-67.5-22000111.4P6 S7 T9 K15 F16 Y17P6-N12 HydrophobicContact CB-CB 4.44Å; S7-N12 WeakPolarHBondContact O-CB 3.4Å; S7-N12 PolarHBondContact O-ND2 2.83Å; T9-N12 WeakPolarHBondContact O-CA 3.47Å; T9-N12 PolarHBondContact O-N 2.91Å; N12-K15 PolarHBondContact O-N 3.33Å; N12-F16 WeakPolarHBondContact O-CA 3.47Å; N12-F16 VanDerWaalsContact O-CB 3.29Å; N12-F16 WeakPolarHBondContact O-CB 3.29Å; N12-F16 PolarHBondContact O-N 3Å; N12-Y17 PolarHBondContact O-N 3.44Å
13L57.9Low64.7Low71 Ų7181.1 Ų81.137%0.37244%0.435SS..Iπ-helixtrans-53.6-54170.8-92147000111.2L8 T9 K15 Y17 I18L8-L13 HydrophobicContact CD2-CD1 4.16Å; L8-L13 HydrophobicContact CD2-CD2 4.32Å; L8-L13 HydrophobicContact CD2-CG 4.24Å; T9-L13 PolarHBondContact O-N 2.97Å; T9-L13 VanDerWaalsContact O-N 3.14Å; L13-K15 PolarHBondContact O-N 3.26Å; L13-Y17 HydrophobicContact CD2-CD2 4.41Å; L13-Y17 HydrophobicContact CD2-CG 4.34Å; L13-Y17 HydrophobicContact CG-CD2 4.25Å; L13-Y17 WeakPolarHBondContact O-CA 3.5Å; L13-Y17 WeakPolarHBondContact O-CB 3.24Å; L13-Y17 PolarHBondContact O-N 3.2Å; L13-Y17 VanDerWaalsContact O-N 3.12Å; L13-I18 PolarHBondContact O-N 3.38Å
14C56.9Low66.5Low58 Ų5877.7 Ų77.739%0.39242%0.419SS..Iπ-helixtrans-69.6-34.8-179.7-66.60000113.9G10 I18G10-C14 PolarHBondContact O-N 3.23Å; C14-I18 HydrophobicContact CB-CD1 4.24Å
15K60.5Low67.8Low125 Ų12572.9 Ų72.954%0.54339%0.394SS..Iπ-helixtrans-87.8-27.3-172.6-156.7178.8-176-169.50113.8K11 N12 L13 P19K11-K15 VanDerWaalsContact O-CB 3.24Å; K11-K15 WeakPolarHBondContact O-CB 3.28Å; K11-K15 PolarHBondContact O-N 2.88Å; K11-K15 VanDerWaalsContact O-N 3.08Å; N12-K15 PolarHBondContact O-N 3.33Å; L13-K15 PolarHBondContact O-N 3.26Å; K15-P19 WeakPolarHBondContact O-CG 3.29Å
16F67.9Low69.4Low121 Ų12164.8 Ų64.853%0.53136%0.359SS..Iπ-helixtrans-120-47.1-172.9-149.1-91.4000112.1N12 L20N12-F16 WeakPolarHBondContact O-CA 3.47Å; N12-F16 VanDerWaalsContact O-CB 3.29Å; N12-F16 WeakPolarHBondContact O-CB 3.29Å; N12-F16 PolarHBondContact O-N 3Å; F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 PolarHBondContact O-N 2.75Å; F16-L20 VanDerWaalsContact O-N 3.09Å
17Y67.3Low71Confident62 Ų6264.2 Ų64.224%0.24336%0.356CS..Iπ-helixtrans-76.2-37.7-175.4-69.3-93.6000113.1L8 N12 L13 L20 S21L8-Y17 HydrophobicContact CD2-CE2 4.42Å; N12-Y17 PolarHBondContact O-N 3.44Å; L13-Y17 HydrophobicContact CD2-CD2 4.41Å; L13-Y17 HydrophobicContact CD2-CG 4.34Å; L13-Y17 HydrophobicContact CG-CD2 4.25Å; L13-Y17 WeakPolarHBondContact O-CA 3.5Å; L13-Y17 WeakPolarHBondContact O-CB 3.24Å; L13-Y17 PolarHBondContact O-N 3.2Å; L13-Y17 VanDerWaalsContact O-N 3.12Å; Y17-L20 PolarHBondContact O-N 2.8Å; Y17-S21 WeakPolarHBondContact O-CB 3.42Å; Y17-S21 PolarHBondContact O-N 3.25Å; Y17-S21 PolarHBondContact O-OG 3.21Å
18I76.3Confident72.4Confident46 Ų4664.3 Ų64.324%0.23635%0.35CS..Hα-helixtrans-64.5-48.5176.5-67.4179.7000111.6L13 C14 L20 S21 G22 F64L13-I18 PolarHBondContact O-N 3.38Å; C14-I18 HydrophobicContact CB-CD1 4.24Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 3.08Å; I18-S21 PolarHBondContact O-N 3.32Å; I18-S21 PolarHBondContact O-OG 3.06Å; I18-G22 PolarHBondContact O-N 3.31Å; I18-F64 HydrophobicContact CG2-CB 3.77Å; I18-F64 HydrophobicContact CG2-CD2 4.34Å; I18-F64 HydrophobicContact CG2-CG 4.14Å
19P76.7Confident74Confident22 Ų2258.5 Ų58.514%0.14332%0.319CS..Hα-helixtrans-62.6-37174-27.338.1000112.9K15 G22 A23 Y65K15-P19 WeakPolarHBondContact O-CG 3.29Å; P19-G22 PolarHBondContact O-N 2.83Å; P19-A23 WeakPolarHBondContact O-CB 3.48Å; P19-A23 PolarHBondContact O-N 3.39Å; P19-Y65 HydrophobicContact CB-CD2 3.83Å; P19-Y65 HydrophobicContact CB-CG 4.27Å; P19-Y65 HydrophobicContact CG-CD2 3.84Å; P19-Y65 HydrophobicContact CG-CG 4.32Å
20L79.5Confident75.2Confident89 Ų8955 Ų5547%0.46630%0.298SS..Hα-helixtrans-66.3-43.2177.3-173.268.4000111.8F16 Y17 I18 G22 A23 V24F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 PolarHBondContact O-N 2.75Å; F16-L20 VanDerWaalsContact O-N 3.09Å; Y17-L20 PolarHBondContact O-N 2.8Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 3.08Å; L20-G22 VanDerWaalsContact C-N 3.27Å; L20-G22 PolarHBondContact O-N 3.19Å; L20-A23 PolarHBondContact O-N 3Å; L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 2.94Å
21S81.8Confident76.7Confident51 Ų5155 Ų5536%0.35729%0.286SS..Hα-helixtrans-64.6-35.7174.672.50000111Y17 I18 S25Y17-S21 WeakPolarHBondContact O-CB 3.42Å; Y17-S21 PolarHBondContact O-N 3.25Å; Y17-S21 PolarHBondContact O-OG 3.21Å; I18-S21 PolarHBondContact O-N 3.32Å; I18-S21 PolarHBondContact O-OG 3.06Å; S21-S25 VanDerWaalsContact O-CB 3.26Å; S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 3.25Å; S21-S25 PolarHBondContact O-OG 3.16Å
22G83.1Confident78.1Confident0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-60.1-48.6170.400000112.4I18 P19 L20 V24 S25 H26I18-G22 PolarHBondContact O-N 3.31Å; P19-G22 PolarHBondContact O-N 2.83Å; L20-G22 VanDerWaalsContact C-N 3.27Å; L20-G22 PolarHBondContact O-N 3.19Å; G22-V24 PolarHBondContact O-N 2.78Å; G22-S25 CarbonylContact O-C 3.57Å; G22-S25 WeakPolarHBondContact O-CB 3.47Å; G22-S25 PolarHBondContact O-N 3.3Å; G22-H26 WeakPolarHBondContact O-CB 3.28Å; G22-H26 PolarHBondContact O-N 3.09Å
23A85.2Confident79.3Confident24 Ų2448.6 Ų48.620%0.19826%0.255CS..Hα-helixtrans-62.2-41.5177.900000113P19 L20 H26 S27 I124P19-A23 WeakPolarHBondContact O-CB 3.48Å; P19-A23 PolarHBondContact O-N 3.39Å; L20-A23 PolarHBondContact O-N 3Å; A23-H26 PolarHBondContact O-N 3.03Å; A23-S27 PolarHBondContact O-N 3.29Å; A23-S27 VanDerWaalsContact O-N 3.12Å; A23-S27 PolarHBondContact O-OG 3.45Å; A23-I124 HydrophobicContact CB-CD1 3.92Å; A23-I124 HydrophobicContact CB-CG2 4.28Å
24V86.6Confident80.5Confident79 Ų7945.2 Ų45.248%0.47924%0.238SC..Hα-helixtrans-64.3-45.1173.5172.70000110.2L20 G22 H26 S27 L28L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 2.94Å; G22-V24 PolarHBondContact O-N 2.78Å; V24-H26 VanDerWaalsContact C-N 3.3Å; V24-H26 PolarHBondContact O-N 2.96Å; V24-S27 PolarHBondContact O-N 3.27Å; V24-L28 HydrophobicContact CG1-CD1 4.06Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.18Å
25S86.9Confident81.7Confident10 Ų1047.8 Ų47.87%0.0724%0.239CC..Hα-helixtrans-63.3-36.5178-58.50000112.1S21 G22 L28 F29 N57S21-S25 VanDerWaalsContact O-CB 3.26Å; S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 3.25Å; S21-S25 PolarHBondContact O-OG 3.16Å; G22-S25 CarbonylContact O-C 3.57Å; G22-S25 WeakPolarHBondContact O-CB 3.47Å; G22-S25 PolarHBondContact O-N 3.3Å; S25-L28 PolarHBondContact O-N 3.48Å; S25-F29 WeakPolarHBondContact O-CB 3.44Å; S25-F29 PolarHBondContact O-N 3.08Å; S25-N57 PolarHBondContact OG-ND2 3.39Å
26H88.7Confident82.5Confident1 Ų145.4 Ų45.41%0.00524%0.237CC..Hα-helixtrans-64.1-41.5175.5-167.3-96000111.9G22 A23 V24 F29 G30 S58 F91 S95 F99 S120 I124G22-H26 WeakPolarHBondContact O-CB 3.28Å; G22-H26 PolarHBondContact O-N 3.09Å; A23-H26 PolarHBondContact O-N 3.03Å; V24-H26 VanDerWaalsContact C-N 3.3Å; V24-H26 PolarHBondContact O-N 2.96Å; H26-F29 WeakPolarHBondContact O-CB 2.88Å; H26-F29 PolarHBondContact O-N 3.01Å; H26-G30 PolarHBondContact O-N 3.15Å; H26-S58 VanDerWaalsContact CB-OG 3.32Å; H26-S58 WeakPolarHBondContact CB-OG 3.49Å; H26-S58 PolarHBondContact CD2-OG 2.9Å; H26-S58 VanDerWaalsContact CD2-OG 3.3Å; H26-F91 AromaticContact CD2-CE1 3.79Å; H26-F91 AromaticContact CE1-CE1 3.9Å; H26-F91 AromaticContact NE2-CE1 3.52Å; H26-S95 PolarHBondContact CE1-OG 3.24Å; H26-S95 WeakPolarHBondContact NE2-CB 3.45Å; H26-S95 PolarHBondContact NE2-OG 3.27Å; H26-F99 AromaticContact CE1-CZ 3.93Å; H26-S120 PolarHBondContact ND1-OG 2.81Å; H26-I124 HydrophobicContact CB-CD1 4.21Å
27S88Confident82.9Confident32 Ų3243.3 Ų43.322%0.22425%0.249CC..Hα-helixtrans-69.1-42.4178-56.60000111.4A23 V24 F29 G30 L31 S120A23-S27 PolarHBondContact O-N 3.29Å; A23-S27 VanDerWaalsContact O-N 3.12Å; A23-S27 PolarHBondContact O-OG 3.45Å; V24-S27 PolarHBondContact O-N 3.27Å; S27-F29 VanDerWaalsContact C-N 3.35Å; S27-G30 PolarHBondContact O-N 3.17Å; S27-L31 WeakPolarHBondContact O-CG 3.33Å; S27-L31 PolarHBondContact O-N 2.7Å; S27-L31 VanDerWaalsContact O-N 3.09Å; S27-S120 PolarHBondContact OG-OG 3.29Å
28L87.3Confident83.2Confident79 Ų7944.5 Ų44.541%0.41426%0.262SS..Hα-helixtrans-63.3-40.7172.4-72.8172.5000111.9V24 S25 L31 L32 L54V24-L28 HydrophobicContact CG1-CD1 4.06Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.18Å; S25-L28 PolarHBondContact O-N 3.48Å; L28-L31 HydrophobicContact CD2-CD1 4.48Å; L28-L31 WeakPolarHBondContact O-CB 3.16Å; L28-L31 PolarHBondContact O-N 3.07Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 2.95Å; L28-L54 HydrophobicContact CB-CD1 4Å; L28-L54 HydrophobicContact CB-CD2 4.29Å; L28-L54 HydrophobicContact CD1-CD2 4.36Å
29F89.1Confident83Confident6 Ų643.1 Ų43.13%0.02626%0.256CS..Hα-helixtrans-57.9-49.4174.2165-103.4000110.9S25 H26 S27 L31 L32 Y33 T51 L54 F55 V96 F99S25-F29 WeakPolarHBondContact O-CB 3.44Å; S25-F29 PolarHBondContact O-N 3.08Å; H26-F29 WeakPolarHBondContact O-CB 2.88Å; H26-F29 PolarHBondContact O-N 3.01Å; S27-F29 VanDerWaalsContact C-N 3.35Å; F29-L31 VanDerWaalsContact C-N 3.28Å; F29-L31 PolarHBondContact O-N 3.09Å; F29-L32 PolarHBondContact O-N 3.03Å; F29-Y33 HydrophobicContact CE2-CD2 4.24Å; F29-Y33 HydrophobicContact CZ-CD2 4Å; F29-Y33 HydrophobicContact CZ-CG 4.34Å; F29-Y33 WeakPolarHBondContact O-CB 3.36Å; F29-Y33 PolarHBondContact O-N 3.36Å; F29-T51 HydrophobicContact CD2-CG2 3.54Å; F29-T51 WeakPolarHBondContact CD2-O 3.45Å; F29-T51 HydrophobicContact CE2-CG2 3.52Å; F29-L54 HydrophobicContact CB-CB 4.09Å; F29-F55 HydrophobicContact CD1-CD2 4.13Å; F29-F55 HydrophobicContact CD2-CB 3.72Å; F29-F55 HydrophobicContact CD2-CD2 4.2Å; F29-F55 HydrophobicContact CD2-CG 4.43Å; F29-F55 AromaticContact CE1-CD2 3.72Å; F29-F55 HydrophobicContact CE1-CD2 3.72Å; F29-F55 HydrophobicContact CE1-CE2 4.26Å; F29-F55 HydrophobicContact CE2-CB 3.72Å; F29-F55 AromaticContact CE2-CD2 3.79Å; F29-F55 HydrophobicContact CE2-CD2 3.79Å; F29-F55 HydrophobicContact CE2-CG 4.07Å; F29-F55 HydrophobicContact CG-CB 4.35Å; F29-F55 HydrophobicContact CG-CD2 4.36Å; F29-F55 HydrophobicContact CZ-CB 4.37Å; F29-F55 AromaticContact CZ-CD2 3.54Å; F29-F55 HydrophobicContact CZ-CD2 3.54Å; F29-F55 HydrophobicContact CZ-CE2 4.2Å; F29-F55 HydrophobicContact CZ-CG 4.26Å; F29-V96 HydrophobicContact CE1-CG2 3.9Å; F29-V96 HydrophobicContact CZ-CG2 3.76Å; F29-F99 HydrophobicContact CD1-CD2 4.35Å; F29-F99 AromaticContact CD1-CE2 3.85Å; F29-F99 HydrophobicContact CD1-CE2 3.85Å; F29-F99 AromaticContact CE1-CD2 3.86Å; F29-F99 HydrophobicContact CE1-CD2 3.86Å; F29-F99 AromaticContact CE1-CE2 3.79Å; F29-F99 HydrophobicContact CE1-CE2 3.79Å
30G86Confident82.8Confident1 Ų144.4 Ų44.41%0.0127%0.265CS..Hα-helixtrans-57.8-39.917600000112.7H26 S27 M34H26-G30 PolarHBondContact O-N 3.15Å; S27-G30 PolarHBondContact O-N 3.17Å; G30-M34 VanDerWaalsContact O-CG 3.25Å; G30-M34 WeakPolarHBondContact O-CG 3.5Å; G30-M34 PolarHBondContact O-N 3.12Å; G30-M34 VanDerWaalsContact O-N 3.11Å
31L87.1Confident82.5Confident51 Ų5149.9 Ų49.927%0.26729%0.288SS..Hα-helixtrans-63.8-50.4176-72.6174.4000112.8S27 L28 F29 M34 R35 L113 L117S27-L31 WeakPolarHBondContact O-CG 3.33Å; S27-L31 PolarHBondContact O-N 2.7Å; S27-L31 VanDerWaalsContact O-N 3.09Å; L28-L31 HydrophobicContact CD2-CD1 4.48Å; L28-L31 WeakPolarHBondContact O-CB 3.16Å; L28-L31 PolarHBondContact O-N 3.07Å; F29-L31 VanDerWaalsContact C-N 3.28Å; F29-L31 PolarHBondContact O-N 3.09Å; L31-M34 PolarHBondContact O-N 2.91Å; L31-R35 PolarHBondContact O-N 3.49Å; L31-L113 HydrophobicContact CD2-CB 4.48Å; L31-L113 HydrophobicContact CD2-CD2 3.74Å; L31-L117 HydrophobicContact CD1-CD2 3.98Å; L31-L117 HydrophobicContact CD2-CD1 3.87Å; L31-L117 HydrophobicContact CD2-CD2 3.86Å; L31-L117 HydrophobicContact CD2-CG 3.69Å; L31-L117 HydrophobicContact CG-CD2 3.75Å; L31-L117 HydrophobicContact CG-CG 4.17Å
32L87.1Confident82.1Confident18 Ų1855 Ų559%0.09431%0.306CS..Hα-helixtrans-69.6-35.7-179.2-64.4-171.1000112.2L28 F29 M34 R35 P36 V38 V39 L50 T51 L54L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 2.95Å; F29-L32 PolarHBondContact O-N 3.03Å; L32-M34 VanDerWaalsContact C-N 3.29Å; L32-M34 PolarHBondContact O-N 2.8Å; L32-R35 CarbonylContact O-C 3.09Å; L32-R35 PolarHBondContact O-N 2.88Å; L32-P36 WeakPolarHBondContact O-CA 3.38Å; L32-P36 VanDerWaalsContact O-N 3.1Å; L32-V38 HydrophobicContact CD2-CB 4.26Å; L32-V38 HydrophobicContact CD2-CG1 4.24Å; L32-V39 HydrophobicContact CD1-CG2 4.19Å; L32-V39 HydrophobicContact CD2-CG2 3.85Å; L32-L50 HydrophobicContact CD1-CD2 3.63Å; L32-L50 HydrophobicContact CD1-CG 3.77Å; L32-T51 WeakPolarHBondContact CB-OG1 3.27Å; L32-L54 HydrophobicContact CD1-CD1 3.51Å; L32-L54 HydrophobicContact CG-CD1 4.39Å
33Y84.8Confident81.7Confident74 Ų7461.3 Ų61.329%0.2933%0.33SS..Hα-helixtrans-61.4-39.1174.9-175.3-93.5000111.6F29 F99F29-Y33 HydrophobicContact CE2-CD2 4.24Å; F29-Y33 HydrophobicContact CZ-CD2 4Å; F29-Y33 HydrophobicContact CZ-CG 4.34Å; F29-Y33 WeakPolarHBondContact O-CB 3.36Å; F29-Y33 PolarHBondContact O-N 3.36Å; Y33-F99 HydrophobicContact CD1-CB 3.84Å; Y33-F99 HydrophobicContact CD1-CD2 4.49Å; Y33-F99 HydrophobicContact CE1-CB 3.85Å
34M84.1Confident81.3Confident0 Ų066 Ų660%036%0.358CS..Hα-helixtrans-76-45.2174.6-66.1-53.6-173.800112.1G30 L31 L32 P36 F99 I102 K103 R112 L113 A116G30-M34 VanDerWaalsContact O-CG 3.25Å; G30-M34 WeakPolarHBondContact O-CG 3.5Å; G30-M34 PolarHBondContact O-N 3.12Å; G30-M34 VanDerWaalsContact O-N 3.11Å; L31-M34 PolarHBondContact O-N 2.91Å; L32-M34 VanDerWaalsContact C-N 3.29Å; L32-M34 PolarHBondContact O-N 2.8Å; M34-P36 WeakPolarHBondContact O-CD 3.39Å; M34-F99 HydrophobicContact CE-CB 3.64Å; M34-F99 HydrophobicContact CE-CD1 4.1Å; M34-F99 HydrophobicContact CE-CG 4.1Å; M34-F99 VanDerWaalsContact CE-O 3.28Å; M34-F99 WeakPolarHBondContact CE-O 3.41Å; M34-I102 HydrophobicContact CE-CB 3.95Å; M34-I102 HydrophobicContact CE-CG2 3.84Å; M34-K103 HydrophobicContact SD-CB 4.07Å; M34-R112 HydrophobicContact CB-CG 4.17Å; M34-R112 HydrophobicContact CE-CG 4.13Å; M34-R112 HydrophobicContact CG-CG 3.89Å; M34-R112 PolarHBondContact O-NH1 3.27Å; M34-R112 PolarHBondContact O-NH2 3.09Å; M34-R112 HydrophobicContact SD-CG 3.4Å; M34-R112 WeakPolarHBondContact SD-CG 3.49Å; M34-L113 HydrophobicContact CB-CD2 3.81Å; M34-A116 HydrophobicContact CE-CB 3.7Å; M34-A116 HydrophobicContact CG-CB 3.69Å
35R81.8Confident81Confident112 Ų11265.7 Ų65.742%0.42335%0.353SS..  trans-119.788.9177.8-91.7-159.9173.4175-6.7111.6L31 L32 G37 V38 L113L31-R35 PolarHBondContact O-N 3.49Å; L32-R35 CarbonylContact O-C 3.09Å; L32-R35 PolarHBondContact O-N 2.88Å; R35-G37 PolarHBondContact O-N 3.5Å; R35-V38 HydrophobicContact CB-CG2 3.73Å; R35-V38 PolarHBondContact O-N 2.96Å; R35-L113 HydrophobicContact CB-CD2 4.27Å; R35-L113 HydrophobicContact CG-CD1 4.18Å; R35-L113 HydrophobicContact CG-CD2 4.25Å; R35-L113 HydrophobicContact CG-CG 4.5Å
36P76.6Confident80.7Confident76 Ų7669 Ų6949%0.49438%0.376SS..G310 helixtrans-63.1-30.7174.123.5-32.7000112.3L32 M34 V38 V39L32-P36 WeakPolarHBondContact O-CA 3.38Å; L32-P36 VanDerWaalsContact O-N 3.1Å; M34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-V38 PolarHBondContact O-N 2.91Å; P36-V38 VanDerWaalsContact O-N 3.1Å; P36-V39 PolarHBondContact O-N 3.35Å
37G76.5Confident80.3Confident77 Ų7770.1 Ų70.179%0.79439%0.385SS*.G310 helixtrans-71.42.5179.700000116R35 V39R35-G37 PolarHBondContact O-N 3.5Å; G37-V39 VanDerWaalsContact C-N 3.29Å
38V74.5Confident80.1Confident86 Ų8675.7 Ų75.752%0.52141%0.408SS..G310 helixtrans-75-25.2169.1170.10000110.9L32 R35 P36 P40L32-V38 HydrophobicContact CD2-CB 4.26Å; L32-V38 HydrophobicContact CD2-CG1 4.24Å; R35-V38 HydrophobicContact CB-CG2 3.73Å; R35-V38 PolarHBondContact O-N 2.96Å; P36-V38 PolarHBondContact O-N 2.91Å; P36-V38 VanDerWaalsContact O-N 3.1Å; V38-P40 WeakPolarHBondContact O-CD 3.32Å
39V72.5Confident80Confident18 Ų1874.9 Ų74.911%0.10941%0.408CS..SBendtrans-77.9119.3174-173.40000107.9L32 P36 G37 W43 A47 L50L32-V39 HydrophobicContact CD1-CG2 4.19Å; L32-V39 HydrophobicContact CD2-CG2 3.85Å; P36-V39 PolarHBondContact O-N 3.35Å; G37-V39 VanDerWaalsContact C-N 3.29Å; V39-W43 HydrophobicContact CG1-CB 4.19Å; V39-A47 HydrophobicContact CB-CB 3.8Å; V39-A47 HydrophobicContact CG1-CB 4.26Å; V39-A47 HydrophobicContact CG2-CB 3.86Å; V39-L50 HydrophobicContact CG1-CD2 4.39Å; V39-L50 HydrophobicContact CG2-CD2 3.9Å
40P72.4Confident79.9Confident49 Ų4977.1 Ų77.132%0.31842%0.42SS..  trans-64.7138.8-179.9-15.227.9000111V38 H42 W43V38-P40 WeakPolarHBondContact O-CD 3.32Å; P40-H42 WeakPolarHBondContact CB-CE1 3.06Å; P40-H42 VanDerWaalsContact CB-ND1 3.35Å; P40-H42 WeakPolarHBondContact CB-ND1 3.32Å; P40-H42 PolarHBondContact O-N 3.28Å; P40-H42 VanDerWaalsContact O-N 3.11Å; P40-W43 HydrophobicContact CG-CE3 4.16Å; P40-W43 VanDerWaalsContact O-CB 3.24Å; P40-W43 WeakPolarHBondContact O-CB 3.22Å; P40-W43 PolarHBondContact O-N 3.49Å
41E72.7Confident80Confident204 Ų20477.7 Ų77.795%0.95342%0.424SS*.THydrogen-bonded Turntrans-59.6-24.5177.9-77.8-176.1148.500113.4W43E41-W43 PolarHBondContact O-N 2.86Å
42H73.2Confident80.1Confident158 Ų15880.3 Ų80.373%0.73144%0.438SS*.THydrogen-bonded Turntrans-78.6-1.6176.763.9-96000113.6P40P40-H42 WeakPolarHBondContact CB-CE1 3.06Å; P40-H42 VanDerWaalsContact CB-ND1 3.35Å; P40-H42 WeakPolarHBondContact CB-ND1 3.32Å; P40-H42 PolarHBondContact O-N 3.28Å; P40-H42 VanDerWaalsContact O-N 3.11Å
43W74.1Confident80.2Confident132 Ų13282.5 Ų82.550%0.545%0.454SS..SBendtrans-72136.6176.9-149.2-92.1000109.6V39 P40 E41 I45V39-W43 HydrophobicContact CG1-CB 4.19Å; P40-W43 HydrophobicContact CG-CE3 4.16Å; P40-W43 VanDerWaalsContact O-CB 3.24Å; P40-W43 WeakPolarHBondContact O-CB 3.22Å; P40-W43 PolarHBondContact O-N 3.49Å; E41-W43 PolarHBondContact O-N 2.86Å; W43-I45 PolarHBondContact O-N 2.97Å
44P78Confident80.4Confident122 Ų12280.2 Ų80.279%0.79245%0.447SS*.SBendtrans-63.9-10-178.624.5-34.9000113.9
45I79.4Confident80.7Confident73 Ų7382.2 Ų82.237%0.37446%0.456SS..SBendtrans-119.8123.8-175.6-55.7171.5000107.8W43 C49 L50W43-I45 PolarHBondContact O-N 2.97Å; I45-C49 HydrophobicContact CG2-CB 3.68Å; I45-L50 HydrophobicContact CG2-CB 4.39Å
46S80.9Confident81Confident79 Ų7983.9 Ų83.955%0.55247%0.467SS*.  trans-56.3145176-47.50000111.5E48 C49 L50S46-E48 PolarHBondContact O-N 3.37Å; S46-E48 VanDerWaalsContact O-N 3.14Å; S46-C49 WeakPolarHBondContact O-CB 3.21Å; S46-C49 PolarHBondContact O-N 3.45Å; S46-L50 PolarHBondContact O-N 2.82Å
47A80.8Confident81.7Confident25 Ų2583.6 Ų83.621%0.20746%0.461CS..Hα-helixtrans-53.8-37.6179.700000112.8V39 L50 T51V39-A47 HydrophobicContact CB-CB 3.8Å; V39-A47 HydrophobicContact CG1-CB 4.26Å; V39-A47 HydrophobicContact CG2-CB 3.86Å; A47-L50 PolarHBondContact O-N 2.95Å; A47-T51 VanDerWaalsContact O-CB 3.32Å; A47-T51 WeakPolarHBondContact O-CB 3.43Å; A47-T51 PolarHBondContact O-N 2.99Å; A47-T51 PolarHBondContact O-OG1 2.94Å
48E82.6Confident82.3Confident150 Ų15079.9 Ų79.970%0.70142%0.423SS*.Hα-helixtrans-65.9-42176.7-63.5166.8102.500112S46 T51 N52S46-E48 PolarHBondContact O-N 3.37Å; S46-E48 VanDerWaalsContact O-N 3.14Å; E48-T51 PolarHBondContact O-N 3.26Å; E48-N52 VanDerWaalsContact O-CB 3.31Å; E48-N52 WeakPolarHBondContact O-CB 3.44Å; E48-N52 PolarHBondContact O-N 3.2Å; E48-N52 PolarHBondContact O-ND2 2.86Å
49C86.5Confident83.1Confident62 Ų6276.7 Ų76.742%0.41941%0.406SS..Hα-helixtrans-65.3-42.2177.4-176.20000111I45 S46 S53I45-C49 HydrophobicContact CG2-CB 3.68Å; S46-C49 WeakPolarHBondContact O-CB 3.21Å; S46-C49 PolarHBondContact O-N 3.45Å; C49-S53 VanDerWaalsContact O-CB 3.28Å; C49-S53 WeakPolarHBondContact O-CB 3.12Å; C49-S53 PolarHBondContact O-N 3.43Å; C49-S53 PolarHBondContact O-OG 3.24Å
50L86.2Confident84Confident52 Ų5278.3 Ų78.327%0.27242%0.415SS..Hα-helixtrans-63.8-44.8175.6-176.761.3000111.6L32 V39 I45 S46 A47 S53 L54L32-L50 HydrophobicContact CD1-CD2 3.63Å; L32-L50 HydrophobicContact CD1-CG 3.77Å; V39-L50 HydrophobicContact CG1-CD2 4.39Å; V39-L50 HydrophobicContact CG2-CD2 3.9Å; I45-L50 HydrophobicContact CG2-CB 4.39Å; S46-L50 PolarHBondContact O-N 2.82Å; A47-L50 PolarHBondContact O-N 2.95Å; L50-S53 PolarHBondContact O-N 3.46Å; L50-L54 HydrophobicContact CG-CD1 4.28Å; L50-L54 WeakPolarHBondContact O-CG 3.48Å; L50-L54 PolarHBondContact O-N 3.45Å
51T88.5Confident84.7Confident14 Ų1476 Ų769%0.08640%0.401CS..Hα-helixtrans-62.9-46.2178.9-58.10000111.1F29 L32 A47 E48 S53 L54 F55F29-T51 HydrophobicContact CD2-CG2 3.54Å; F29-T51 WeakPolarHBondContact CD2-O 3.45Å; F29-T51 HydrophobicContact CE2-CG2 3.52Å; L32-T51 WeakPolarHBondContact CB-OG1 3.27Å; A47-T51 VanDerWaalsContact O-CB 3.32Å; A47-T51 WeakPolarHBondContact O-CB 3.43Å; A47-T51 PolarHBondContact O-N 2.99Å; A47-T51 PolarHBondContact O-OG1 2.94Å; E48-T51 PolarHBondContact O-N 3.26Å; T51-S53 VanDerWaalsContact C-N 3.33Å; T51-S53 PolarHBondContact O-N 2.94Å; T51-L54 PolarHBondContact O-N 3.41Å; T51-F55 WeakPolarHBondContact O-CB 3.31Å; T51-F55 PolarHBondContact O-N 3.38Å
52N88.6Confident85.4Confident106 Ų10667.5 Ų67.557%0.56736%0.361SS*.Hα-helixtrans-64.6-37176-71.7-21.5000112.3E48 F55 F56E48-N52 VanDerWaalsContact O-CB 3.31Å; E48-N52 WeakPolarHBondContact O-CB 3.44Å; E48-N52 PolarHBondContact O-N 3.2Å; E48-N52 PolarHBondContact O-ND2 2.86Å; N52-F55 WeakPolarHBondContact O-CB 3.5Å; N52-F55 PolarHBondContact O-N 2.85Å; N52-F56 WeakPolarHBondContact O-CB 3.3Å; N52-F56 PolarHBondContact O-N 3.3Å
53S89.3Confident86.2Confident63 Ų6360.7 Ų60.744%0.44133%0.334SS..Hα-helixtrans-65.7-42.3176-620000111.7C49 L50 T51 F56 N57C49-S53 VanDerWaalsContact O-CB 3.28Å; C49-S53 WeakPolarHBondContact O-CB 3.12Å; C49-S53 PolarHBondContact O-N 3.43Å; C49-S53 PolarHBondContact O-OG 3.24Å; L50-S53 PolarHBondContact O-N 3.46Å; T51-S53 VanDerWaalsContact C-N 3.33Å; T51-S53 PolarHBondContact O-N 2.94Å; S53-F56 PolarHBondContact O-N 3.1Å; S53-N57 WeakPolarHBondContact O-CB 2.85Å; S53-N57 PolarHBondContact O-N 2.99Å
54L89.4Confident86.8Confident26 Ų2658.8 Ų58.814%0.13633%0.33CS..Hα-helixtrans-66.3-39.4174.9-74.3167.1000111.9L28 F29 L32 L50 T51 N57 S58L28-L54 HydrophobicContact CB-CD1 4Å; L28-L54 HydrophobicContact CB-CD2 4.29Å; L28-L54 HydrophobicContact CD1-CD2 4.36Å; F29-L54 HydrophobicContact CB-CB 4.09Å; L32-L54 HydrophobicContact CD1-CD1 3.51Å; L32-L54 HydrophobicContact CG-CD1 4.39Å; L50-L54 HydrophobicContact CG-CD1 4.28Å; L50-L54 WeakPolarHBondContact O-CG 3.48Å; L50-L54 PolarHBondContact O-N 3.45Å; T51-L54 PolarHBondContact O-N 3.41Å; L54-N57 PolarHBondContact O-N 3.44Å; L54-S58 VanDerWaalsContact O-CB 3.29Å; L54-S58 WeakPolarHBondContact O-CB 3.35Å; L54-S58 PolarHBondContact O-N 3.39Å
55F89.8Confident87.1Confident42 Ų4255.7 Ų55.718%0.18430%0.303CS..Hα-helixtrans-59.9-47.7173.6-175.8-106.4000111.2F29 T51 N52 S58 A59 S92 V96F29-F55 HydrophobicContact CD1-CD2 4.13Å; F29-F55 HydrophobicContact CD2-CB 3.72Å; F29-F55 HydrophobicContact CD2-CD2 4.2Å; F29-F55 HydrophobicContact CD2-CG 4.43Å; F29-F55 AromaticContact CE1-CD2 3.72Å; F29-F55 HydrophobicContact CE1-CD2 3.72Å; F29-F55 HydrophobicContact CE1-CE2 4.26Å; F29-F55 HydrophobicContact CE2-CB 3.72Å; F29-F55 AromaticContact CE2-CD2 3.79Å; F29-F55 HydrophobicContact CE2-CD2 3.79Å; F29-F55 HydrophobicContact CE2-CG 4.07Å; F29-F55 HydrophobicContact CG-CB 4.35Å; F29-F55 HydrophobicContact CG-CD2 4.36Å; F29-F55 HydrophobicContact CZ-CB 4.37Å; F29-F55 AromaticContact CZ-CD2 3.54Å; F29-F55 HydrophobicContact CZ-CD2 3.54Å; F29-F55 HydrophobicContact CZ-CE2 4.2Å; F29-F55 HydrophobicContact CZ-CG 4.26Å; T51-F55 WeakPolarHBondContact O-CB 3.31Å; T51-F55 PolarHBondContact O-N 3.38Å; N52-F55 WeakPolarHBondContact O-CB 3.5Å; N52-F55 PolarHBondContact O-N 2.85Å; F55-S58 WeakPolarHBondContact O-CB 3.49Å; F55-S58 PolarHBondContact O-N 2.91Å; F55-A59 WeakPolarHBondContact O-CB 3.17Å; F55-A59 PolarHBondContact O-N 2.85Å; F55-S92 VanDerWaalsContact CZ-CB 3.48Å; F55-V96 HydrophobicContact CD2-CG2 4.26Å; F55-V96 HydrophobicContact CE2-CG2 3.57Å; F55-V96 HydrophobicContact CZ-CG2 4.15Å
56F89.8Confident87.4Confident148 Ų14852.4 Ų52.465%0.64929%0.286SS*.Hα-helixtrans-63.3-45.1177.2-172.1-97.8000111.8N52 S53 S58 A59 V60N52-F56 WeakPolarHBondContact O-CB 3.3Å; N52-F56 PolarHBondContact O-N 3.3Å; S53-F56 PolarHBondContact O-N 3.1Å; F56-S58 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 2.94Å; F56-A59 PolarHBondContact O-N 3.45Å; F56-V60 HydrophobicContact CD1-CG2 4.03Å; F56-V60 HydrophobicContact CE1-CG2 3.67Å; F56-V60 HydrophobicContact CZ-CG2 4.04Å; F56-V60 WeakPolarHBondContact O-CG2 3.39Å; F56-V60 PolarHBondContact O-N 3.32Å
57N90Very high87.6Confident69 Ų6951.9 Ų51.937%0.36927%0.272SS..Hα-helixtrans-62.7-39.4177.6-169.154000112.1S25 S53 L54 V60 G61S25-N57 PolarHBondContact OG-ND2 3.39Å; S53-N57 WeakPolarHBondContact O-CB 2.85Å; S53-N57 PolarHBondContact O-N 2.99Å; L54-N57 PolarHBondContact O-N 3.44Å; N57-V60 PolarHBondContact O-N 2.87Å; N57-G61 PolarHBondContact O-N 3.08Å
58S89.9Confident87.6Confident0 Ų053.3 Ų53.30%028%0.276CS..Hα-helixtrans-60.5-48.6172.3177.10000111.4H26 L54 F55 F56 V60 G61 I62H26-S58 VanDerWaalsContact CB-OG 3.32Å; H26-S58 WeakPolarHBondContact CB-OG 3.49Å; H26-S58 PolarHBondContact CD2-OG 2.9Å; H26-S58 VanDerWaalsContact CD2-OG 3.3Å; L54-S58 VanDerWaalsContact O-CB 3.29Å; L54-S58 WeakPolarHBondContact O-CB 3.35Å; L54-S58 PolarHBondContact O-N 3.39Å; F55-S58 WeakPolarHBondContact O-CB 3.49Å; F55-S58 PolarHBondContact O-N 2.91Å; F56-S58 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 2.94Å; S58-V60 VanDerWaalsContact C-N 3.33Å; S58-V60 PolarHBondContact O-N 3.38Å; S58-G61 PolarHBondContact O-N 2.93Å; S58-G61 VanDerWaalsContact O-N 3.16Å; S58-I62 WeakPolarHBondContact O-CD1 3.22Å; S58-I62 VanDerWaalsContact O-CG1 3.29Å; S58-I62 WeakPolarHBondContact O-CG1 3.29Å; S58-I62 PolarHBondContact O-N 2.82Å; S58-I62 WeakPolarHBondContact OG-CD1 3.02Å
59A91.3Very high87.4Confident19 Ų1946.7 Ų46.716%0.15725%0.246CC..Hα-helixtrans-59.5-43.5178.300000111.5F55 F56 G61 I62 G63 T88F55-A59 WeakPolarHBondContact O-CB 3.17Å; F55-A59 PolarHBondContact O-N 2.85Å; F56-A59 PolarHBondContact O-N 3.45Å; A59-G61 PolarHBondContact O-N 3.45Å; A59-I62 PolarHBondContact O-N 3.27Å; A59-G63 PolarHBondContact O-N 2.92Å; A59-T88 HydrophobicContact CB-CG2 3.75Å; A59-T88 WeakPolarHBondContact O-CG2 3.04Å
60V90.2Very high86.8Confident52 Ų5247.9 Ų47.932%0.31525%0.245SC..Hα-helixtrans-60.9-46.1174.3173.20000110.8F56 N57 S58 I62 G63 F64F56-V60 HydrophobicContact CD1-CG2 4.03Å; F56-V60 HydrophobicContact CE1-CG2 3.67Å; F56-V60 HydrophobicContact CZ-CG2 4.04Å; F56-V60 WeakPolarHBondContact O-CG2 3.39Å; F56-V60 PolarHBondContact O-N 3.32Å; N57-V60 PolarHBondContact O-N 2.87Å; S58-V60 VanDerWaalsContact C-N 3.33Å; S58-V60 PolarHBondContact O-N 3.38Å; V60-I62 PolarHBondContact O-N 3.49Å; V60-G63 PolarHBondContact O-N 3.25Å; V60-F64 HydrophobicContact CG1-CD2 3.73Å; V60-F64 HydrophobicContact CG1-CE2 3.91Å; V60-F64 WeakPolarHBondContact O-CB 3.47Å; V60-F64 WeakPolarHBondContact O-CD2 3.26Å; V60-F64 PolarHBondContact O-N 2.9Å
61G87.4Confident86.2Confident1 Ų148.1 Ų48.11%0.0124%0.244CC..Hα-helixtrans-59.6-45.2178.400000113.4N57 S58 A59 Y65N57-G61 PolarHBondContact O-N 3.08Å; S58-G61 PolarHBondContact O-N 2.93Å; S58-G61 VanDerWaalsContact O-N 3.16Å; A59-G61 PolarHBondContact O-N 3.45Å; G61-Y65 PolarHBondContact O-N 2.89Å
62I88.5Confident85.3Confident24 Ų2447.9 Ų47.912%0.12324%0.242CC..Hα-helixtrans-67.2-42.8176.2-63.8156000110.7S58 A59 V60 F64 Y65 L66 T88 F91S58-I62 WeakPolarHBondContact O-CD1 3.22Å; S58-I62 VanDerWaalsContact O-CG1 3.29Å; S58-I62 WeakPolarHBondContact O-CG1 3.29Å; S58-I62 PolarHBondContact O-N 2.82Å; S58-I62 WeakPolarHBondContact OG-CD1 3.02Å; A59-I62 PolarHBondContact O-N 3.27Å; V60-I62 PolarHBondContact O-N 3.49Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 2.84Å; I62-Y65 WeakPolarHBondContact O-CA 3.38Å; I62-Y65 VanDerWaalsContact O-CB 3.31Å; I62-Y65 WeakPolarHBondContact O-CB 3.26Å; I62-Y65 PolarHBondContact O-N 3.4Å; I62-Y65 VanDerWaalsContact O-N 3.1Å; I62-L66 HydrophobicContact CG2-CD1 4.04Å; I62-L66 HydrophobicContact CG2-CG 4.29Å; I62-L66 WeakPolarHBondContact O-CG 3.26Å; I62-L66 PolarHBondContact O-N 3.37Å; I62-T88 HydrophobicContact CB-CG2 4.43Å; I62-T88 HydrophobicContact CG2-CG2 4.49Å; I62-F91 HydrophobicContact CD1-CD1 3.3Å; I62-F91 HydrophobicContact CD1-CE1 3.51Å; I62-F91 HydrophobicContact CD1-CG 4.23Å; I62-F91 HydrophobicContact CG1-CD1 4.35Å; I62-F91 HydrophobicContact CG1-CE1 4.46Å
63G88.7Confident84.5Confident16 Ų1648 Ų4817%0.16524%0.238CC..Hα-helixtrans-61-43.1177.200000112.3A59 V60 Y65 L66 Y67 T88A59-G63 PolarHBondContact O-N 2.92Å; V60-G63 PolarHBondContact O-N 3.25Å; G63-Y65 VanDerWaalsContact C-N 3.34Å; G63-L66 PolarHBondContact O-N 2.87Å; G63-Y67 WeakPolarHBondContact O-CB 3.31Å; G63-Y67 PolarHBondContact O-N 2.65Å; G63-T88 WeakPolarHBondContact CA-OG1 3.42Å; G63-T88 PolarHBondContact N-OG1 3.5Å
64F87Confident83.8Confident92 Ų9251.8 Ų51.840%0.40425%0.248SC..Hα-helixtrans-65.1-36.7172.8-94-82.3000112.8I18 V60 I62 N68I18-F64 HydrophobicContact CG2-CB 3.77Å; I18-F64 HydrophobicContact CG2-CD2 4.34Å; I18-F64 HydrophobicContact CG2-CG 4.14Å; V60-F64 HydrophobicContact CG1-CD2 3.73Å; V60-F64 HydrophobicContact CG1-CE2 3.91Å; V60-F64 WeakPolarHBondContact O-CB 3.47Å; V60-F64 WeakPolarHBondContact O-CD2 3.26Å; V60-F64 PolarHBondContact O-N 2.9Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 2.84Å; F64-N68 WeakPolarHBondContact O-CB 3.48Å; F64-N68 PolarHBondContact O-N 2.86Å; F64-N68 VanDerWaalsContact O-N 3.17Å; F64-N68 PolarHBondContact O-ND2 3.45Å
65Y84.6Confident83.3Confident57 Ų5753.2 Ų53.222%0.22426%0.255CS..Hα-helixtrans-60.6-53.8173.9179.6-103.4000111P19 G61 I62 G63 N68 F131 D132P19-Y65 HydrophobicContact CB-CD2 3.83Å; P19-Y65 HydrophobicContact CB-CG 4.27Å; P19-Y65 HydrophobicContact CG-CD2 3.84Å; P19-Y65 HydrophobicContact CG-CG 4.32Å; G61-Y65 PolarHBondContact O-N 2.89Å; I62-Y65 WeakPolarHBondContact O-CA 3.38Å; I62-Y65 VanDerWaalsContact O-CB 3.31Å; I62-Y65 WeakPolarHBondContact O-CB 3.26Å; I62-Y65 PolarHBondContact O-N 3.4Å; I62-Y65 VanDerWaalsContact O-N 3.1Å; G63-Y65 VanDerWaalsContact C-N 3.34Å; Y65-N68 PolarHBondContact O-N 3.31Å; Y65-F131 HydrophobicContact CE1-CB 4.26Å; Y65-F131 HydrophobicContact CE1-CD2 4.37Å; Y65-D132 PolarHBondContact OH-OD1 3.22Å
66L86.2Confident83.1Confident4 Ų455 Ų552%0.02127%0.27CS..Hα-helixtrans-61.8-48179.7-65.8178.7000111I62 G63 N68 M69 M72 A84 F131I62-L66 HydrophobicContact CG2-CD1 4.04Å; I62-L66 HydrophobicContact CG2-CG 4.29Å; I62-L66 WeakPolarHBondContact O-CG 3.26Å; I62-L66 PolarHBondContact O-N 3.37Å; G63-L66 PolarHBondContact O-N 2.87Å; L66-N68 PolarHBondContact O-N 3.44Å; L66-N68 VanDerWaalsContact O-N 3.15Å; L66-M69 HydrophobicContact CD2-SD 3.92Å; L66-M69 VanDerWaalsContact O-CB 3.28Å; L66-M69 WeakPolarHBondContact O-CB 3.29Å; L66-M69 VanDerWaalsContact O-CG 3.27Å; L66-M69 WeakPolarHBondContact O-CG 3.1Å; L66-M69 PolarHBondContact O-N 3.47Å; L66-M72 HydrophobicContact CB-CE 4.4Å; L66-M72 WeakPolarHBondContact O-CE 3.28Å; L66-A84 HydrophobicContact CB-CB 4.04Å; L66-F131 HydrophobicContact CD1-CZ 4.5Å; L66-F131 HydrophobicContact CD2-CD1 3.89Å; L66-F131 HydrophobicContact CD2-CD2 3.72Å; L66-F131 HydrophobicContact CD2-CE1 3.58Å; L66-F131 HydrophobicContact CD2-CE2 3.44Å; L66-F131 VanDerWaalsContact CD2-CE2 3.44Å; L66-F131 HydrophobicContact CD2-CG 3.98Å; L66-F131 HydrophobicContact CD2-CZ 3.36Å
67Y84Confident82.9Confident68 Ų6852.3 Ų52.327%0.26727%0.266SS..Hα-helixtrans-55.9-36.1179.3-173.8-95.1000112.4G63 M69 K80 T81 A84G63-Y67 WeakPolarHBondContact O-CB 3.31Å; G63-Y67 PolarHBondContact O-N 2.65Å; Y67-M69 VanDerWaalsContact C-N 3.29Å; Y67-M69 PolarHBondContact O-N 3.02Å; Y67-K80 VanDerWaalsContact CD1-CE 3.44Å; Y67-K80 HydrophobicContact CD2-CB 4.49Å; Y67-K80 HydrophobicContact CD2-CD 4.22Å; Y67-K80 VanDerWaalsContact CD2-CE 3.41Å; Y67-K80 HydrophobicContact CD2-CG 3.77Å; Y67-K80 HydrophobicContact CE2-CB 4.23Å; Y67-K80 HydrophobicContact CE2-CD 4.12Å; Y67-K80 HydrophobicContact CE2-CG 3.85Å; Y67-K80 HydrophobicContact CG-CG 4.42Å; Y67-K80 WeakPolarHBondContact O-CD 3.43Å; Y67-K80 WeakPolarHBondContact O-CE 3.5Å; Y67-K80 PolarHBondContact O-NZ 3.38Å; Y67-T81 WeakPolarHBondContact CE2-OG1 3.37Å; Y67-A84 HydrophobicContact CD2-CB 4.45Å
68N80.5Confident82.8Confident54 Ų5454.8 Ų54.829%0.28928%0.278SS..THydrogen-bonded Turntrans-84.26.4-179.3-74.1-52.2000114.9F64 Y65 L66F64-N68 WeakPolarHBondContact O-CB 3.48Å; F64-N68 PolarHBondContact O-N 2.86Å; F64-N68 VanDerWaalsContact O-N 3.17Å; F64-N68 PolarHBondContact O-ND2 3.45Å; Y65-N68 PolarHBondContact O-N 3.31Å; L66-N68 PolarHBondContact O-N 3.44Å; L66-N68 VanDerWaalsContact O-N 3.15Å
69M79.9Confident82.6Confident12 Ų1262.3 Ų62.36%0.05931%0.307CS..  trans-63.2141.7176.5-72-172.77900112.6L66 Y67 H71 M72 F131 N135L66-M69 HydrophobicContact CD2-SD 3.92Å; L66-M69 VanDerWaalsContact O-CB 3.28Å; L66-M69 WeakPolarHBondContact O-CB 3.29Å; L66-M69 VanDerWaalsContact O-CG 3.27Å; L66-M69 WeakPolarHBondContact O-CG 3.1Å; L66-M69 PolarHBondContact O-N 3.47Å; Y67-M69 VanDerWaalsContact C-N 3.29Å; Y67-M69 PolarHBondContact O-N 3.02Å; M69-H71 WeakPolarHBondContact CE-CE1 3.46Å; M69-H71 WeakPolarHBondContact CE-ND1 3.37Å; M69-H71 VanDerWaalsContact SD-CE1 3.52Å; M69-M72 HydrophobicContact CB-CE 4.32Å; M69-M72 HydrophobicContact CB-CG 4.45Å; M69-M72 PolarHBondContact O-N 3.12Å; M69-F131 HydrophobicContact CE-CB 3.48Å; M69-F131 VanDerWaalsContact CE-CB 3.48Å; M69-F131 HydrophobicContact CE-CD1 3.7Å; M69-F131 HydrophobicContact CE-CG 3.96Å; M69-F131 WeakPolarHBondContact CE-O 3.36Å; M69-F131 HydrophobicContact SD-CB 3.98Å; M69-F131 HydrophobicContact SD-CD1 3.54Å; M69-F131 VanDerWaalsContact SD-CD1 3.54Å; M69-F131 HydrophobicContact SD-CE1 4.3Å; M69-F131 HydrophobicContact SD-CG 3.9Å; M69-N135 HydrophobicContact CE-CB 4.21Å
70E73.8Confident82.4Confident86 Ų8662.5 Ų62.540%0.40230%0.304SS..SBendtrans-76-34.6-169.3176.4151.3-116.500113.1M72 K73 N135E70-M72 PolarHBondContact O-N 3.43Å; E70-K73 HydrophobicContact CB-CD 4.43Å; E70-K73 HydrophobicContact CG-CD 4.23Å; E70-K73 WeakPolarHBondContact O-CB 3.36Å; E70-K73 PolarHBondContact O-N 2.79Å; E70-K73 IonicContact OE1-NZ 2.75Å; E70-K73 PolarHBondContact OE1-NZ 2.81Å; E70-N135 WeakPolarHBondContact CA-OD1 3.45Å; E70-N135 VanDerWaalsContact CB-OD1 3.29Å; E70-N135 WeakPolarHBondContact CB-OD1 3.26Å; E70-N135 PolarHBondContact N-OD1 2.67Å
71H72.2Confident82.2Confident57 Ų5762.9 Ų62.926%0.26431%0.307SS..THydrogen-bonded Turntrans-61.2-26.4171.174.3-93.8000112.6M69 N135M69-H71 WeakPolarHBondContact CE-CE1 3.46Å; M69-H71 WeakPolarHBondContact CE-ND1 3.37Å; M69-H71 VanDerWaalsContact SD-CE1 3.52Å; H71-N135 PolarHBondContact N-OD1 3.42Å
72M69.4Low82.4Confident9 Ų968.7 Ų68.74%0.04434%0.335CS..THydrogen-bonded Turntrans-87.9-5.9179.1-60.5-148.1-87.900114.7L66 M69 E70 H74 M75 K80 F83L66-M72 HydrophobicContact CB-CE 4.4Å; L66-M72 WeakPolarHBondContact O-CE 3.28Å; M69-M72 HydrophobicContact CB-CE 4.32Å; M69-M72 HydrophobicContact CB-CG 4.45Å; M69-M72 PolarHBondContact O-N 3.12Å; E70-M72 PolarHBondContact O-N 3.43Å; M72-H74 PolarHBondContact O-N 3.29Å; M72-M75 HydrophobicContact CB-CE 3.61Å; M72-M75 HydrophobicContact CG-CE 3.36Å; M72-M75 PolarHBondContact O-N 3.19Å; M72-M75 VanDerWaalsContact O-N 3.16Å; M72-M75 HydrophobicContact SD-CE 3.48Å; M72-M75 WeakPolarHBondContact SD-CE 3.33Å; M72-K80 HydrophobicContact CB-CD 3.8Å; M72-K80 HydrophobicContact CB-CG 3.87Å; M72-K80 HydrophobicContact CE-CG 4.49Å; M72-K80 WeakPolarHBondContact O-CD 3.36Å; M72-K80 HydrophobicContact SD-CG 4.27Å; M72-F83 HydrophobicContact SD-CB 3.85Å
73K72.8Confident82.4Confident110 Ų11072.8 Ų72.848%0.47835%0.352SS..THydrogen-bonded Turntrans-61.6-28.3-175.2-75.7175.9-176.6171.10114.2E70E70-K73 HydrophobicContact CB-CD 4.43Å; E70-K73 HydrophobicContact CG-CD 4.23Å; E70-K73 WeakPolarHBondContact O-CB 3.36Å; E70-K73 PolarHBondContact O-N 2.79Å; E70-K73 IonicContact OE1-NZ 2.75Å; E70-K73 PolarHBondContact OE1-NZ 2.81Å
74H75.2Confident82.4Confident142 Ų14272.3 Ų72.366%0.65735%0.346SS*.THydrogen-bonded Turntrans-88.6-10-178.3-61.186.6000113.1M72 R142M72-H74 PolarHBondContact O-N 3.29Å; H74-R142 PolarHBondContact CE1-NH1 2.76Å; H74-R142 PolarHBondContact ND1-NH1 3.27Å
75M78.4Confident82.6Confident56 Ų5672 Ų7228%0.27635%0.352SS..SBendtrans-78148.7178.8-72.6-163.5-7300111.2M72 V77 F83M72-M75 HydrophobicContact CB-CE 3.61Å; M72-M75 HydrophobicContact CG-CE 3.36Å; M72-M75 PolarHBondContact O-N 3.19Å; M72-M75 VanDerWaalsContact O-N 3.16Å; M72-M75 HydrophobicContact SD-CE 3.48Å; M72-M75 WeakPolarHBondContact SD-CE 3.33Å; M75-V77 PolarHBondContact O-N 3.46Å; M75-F83 HydrophobicContact CE-CD2 3.69Å; M75-F83 HydrophobicContact CE-CE2 4.05Å; M75-F83 HydrophobicContact SD-CD2 3.94Å; M75-F83 HydrophobicContact SD-CE2 3.69Å
76P85.6Confident83Confident78 Ų7876.5 Ų76.551%0.50637%0.37SS..  trans-57.7141.4172.323-31.6000110.3I78 R79 K80P76-I78 PolarHBondContact O-N 3.24Å; P76-I78 VanDerWaalsContact O-N 3.08Å; P76-R79 HydrophobicContact CG-CB 4.15Å; P76-R79 HydrophobicContact CG-CG 3.99Å; P76-R79 PolarHBondContact O-N 3.44Å; P76-K80 PolarHBondContact O-N 2.9Å
77V85.4Confident83.2Confident92 Ų9277 Ų7756%0.55838%0.376SS*.Hα-helixtrans-49-42.8-172.9175.50000112.2M75 R79 K80 T81M75-V77 PolarHBondContact O-N 3.46Å; V77-R79 PolarHBondContact O-N 3.16Å; V77-K80 PolarHBondContact O-N 2.68Å; V77-T81 PolarHBondContact O-N 2.85Å; V77-T81 PolarHBondContact O-OG1 3.4Å; V77-T81 VanDerWaalsContact O-OG1 3.08Å
78I87.2Confident83.6Confident122 Ų12274.5 Ų74.563%0.62637%0.368SS*.Hα-helixtrans-59.2-47.7179.5-64.4164.8000111.5P76 T81 M82P76-I78 PolarHBondContact O-N 3.24Å; P76-I78 VanDerWaalsContact O-N 3.08Å; I78-T81 PolarHBondContact O-N 2.93Å; I78-M82 HydrophobicContact CG2-CE 3.75Å; I78-M82 HydrophobicContact CG2-SD 4.13Å; I78-M82 VanDerWaalsContact O-CG 3.31Å; I78-M82 WeakPolarHBondContact O-CG 3.25Å; I78-M82 PolarHBondContact O-N 3.49Å
79R86.3Confident84.2Confident157 Ų15773.5 Ų73.559%0.59237%0.367SS*.Hα-helixtrans-66.1-41.1178.3-73.2-172.2-178.1-170.40111.3P76 V77 T81 M82 F83P76-R79 HydrophobicContact CG-CB 4.15Å; P76-R79 HydrophobicContact CG-CG 3.99Å; P76-R79 PolarHBondContact O-N 3.44Å; V77-R79 PolarHBondContact O-N 3.16Å; R79-T81 VanDerWaalsContact C-N 3.32Å; R79-T81 PolarHBondContact O-N 3.43Å; R79-M82 PolarHBondContact O-N 2.99Å; R79-F83 HydrophobicContact CB-CD2 4.43Å; R79-F83 HydrophobicContact CB-CE2 4.23Å; R79-F83 WeakPolarHBondContact O-CD2 3.31Å; R79-F83 PolarHBondContact O-N 2.83Å
80K86.3Confident84.8Confident23 Ų2377.5 Ų77.510%0.139%0.388CS..Hα-helixtrans-59.8-43.4177.3-173.4167.3106156.30111.7Y67 M72 P76 V77 A84Y67-K80 VanDerWaalsContact CD1-CE 3.44Å; Y67-K80 HydrophobicContact CD2-CB 4.49Å; Y67-K80 HydrophobicContact CD2-CD 4.22Å; Y67-K80 VanDerWaalsContact CD2-CE 3.41Å; Y67-K80 HydrophobicContact CD2-CG 3.77Å; Y67-K80 HydrophobicContact CE2-CB 4.23Å; Y67-K80 HydrophobicContact CE2-CD 4.12Å; Y67-K80 HydrophobicContact CE2-CG 3.85Å; Y67-K80 HydrophobicContact CG-CG 4.42Å; Y67-K80 WeakPolarHBondContact O-CD 3.43Å; Y67-K80 WeakPolarHBondContact O-CE 3.5Å; Y67-K80 PolarHBondContact O-NZ 3.38Å; M72-K80 HydrophobicContact CB-CD 3.8Å; M72-K80 HydrophobicContact CB-CG 3.87Å; M72-K80 HydrophobicContact CE-CG 4.49Å; M72-K80 WeakPolarHBondContact O-CD 3.36Å; M72-K80 HydrophobicContact SD-CG 4.27Å; P76-K80 PolarHBondContact O-N 2.9Å; V77-K80 PolarHBondContact O-N 2.68Å; K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.34Å; K80-A84 PolarHBondContact O-N 2.81Å
81T87.9Confident85.6Confident61 Ų6175.1 Ų75.137%0.37438%0.377SS..Hα-helixtrans-65-44.3174.2-56.20000111.5Y67 V77 I78 R79 F83 A84 T85Y67-T81 WeakPolarHBondContact CE2-OG1 3.37Å; V77-T81 PolarHBondContact O-N 2.85Å; V77-T81 PolarHBondContact O-OG1 3.4Å; V77-T81 VanDerWaalsContact O-OG1 3.08Å; I78-T81 PolarHBondContact O-N 2.93Å; R79-T81 VanDerWaalsContact C-N 3.32Å; R79-T81 PolarHBondContact O-N 3.43Å; T81-F83 PolarHBondContact O-N 3.34Å; T81-A84 PolarHBondContact O-N 3.41Å; T81-T85 WeakPolarHBondContact O-CB 3.43Å; T81-T85 PolarHBondContact O-N 3.43Å; T81-T85 PolarHBondContact O-OG1 2.89Å
82M90.1Very high86.5Confident123 Ų12372.6 Ų72.661%0.60637%0.365SS*.Hα-helixtrans-58.5-46.6177.9-74174.2172.900112.3I78 R79 T85 Y86I78-M82 HydrophobicContact CG2-CE 3.75Å; I78-M82 HydrophobicContact CG2-SD 4.13Å; I78-M82 VanDerWaalsContact O-CG 3.31Å; I78-M82 WeakPolarHBondContact O-CG 3.25Å; I78-M82 PolarHBondContact O-N 3.49Å; R79-M82 PolarHBondContact O-N 2.99Å; M82-T85 PolarHBondContact O-N 2.85Å; M82-Y86 VanDerWaalsContact O-CB 3.26Å; M82-Y86 WeakPolarHBondContact O-CB 3.17Å; M82-Y86 PolarHBondContact O-N 3.19Å
83F88.2Confident87.6Confident110 Ų11078.7 Ų78.748%0.48239%0.392SS..Hα-helixtrans-67.3-40.8177.7-70-54.4000112.6M72 M75 R79 T81 Y86 G87M72-F83 HydrophobicContact SD-CB 3.85Å; M75-F83 HydrophobicContact CE-CD2 3.69Å; M75-F83 HydrophobicContact CE-CE2 4.05Å; M75-F83 HydrophobicContact SD-CD2 3.94Å; M75-F83 HydrophobicContact SD-CE2 3.69Å; R79-F83 HydrophobicContact CB-CD2 4.43Å; R79-F83 HydrophobicContact CB-CE2 4.23Å; R79-F83 WeakPolarHBondContact O-CD2 3.31Å; R79-F83 PolarHBondContact O-N 2.83Å; T81-F83 PolarHBondContact O-N 3.34Å; F83-Y86 PolarHBondContact O-N 2.91Å; F83-G87 PolarHBondContact O-N 2.86Å
84A89.8Confident88.5Confident5 Ų575.1 Ų75.14%0.04139%0.386CS..Hα-helixtrans-62-45.7175.300000111.4L66 Y67 K80 T81 T88L66-A84 HydrophobicContact CB-CB 4.04Å; Y67-A84 HydrophobicContact CD2-CB 4.45Å; K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.34Å; K80-A84 PolarHBondContact O-N 2.81Å; T81-A84 PolarHBondContact O-N 3.41Å; A84-T88 VanDerWaalsContact O-CB 3.26Å; A84-T88 WeakPolarHBondContact O-CB 3.38Å; A84-T88 PolarHBondContact O-N 3.4Å; A84-T88 PolarHBondContact O-OG1 2.92Å
85T91.4Very high89.3Confident87 Ų8768.4 Ų68.453%0.53436%0.355SS..Hα-helixtrans-63.3-43.2176.3-60.60000111.3T81 M82 T88 A89T81-T85 WeakPolarHBondContact O-CB 3.43Å; T81-T85 PolarHBondContact O-N 3.43Å; T81-T85 PolarHBondContact O-OG1 2.89Å; M82-T85 PolarHBondContact O-N 2.85Å; T85-T88 PolarHBondContact O-N 2.86Å; T85-A89 WeakPolarHBondContact O-CB 3.38Å; T85-A89 PolarHBondContact O-N 3.46Å
86Y92.1Very high89.9Confident151 Ų15167.6 Ų67.659%0.59235%0.353SS*.Hα-helixtrans-62.5-50177.8179.6-105.4000111.9M82 F83 T88 A89 L90M82-Y86 VanDerWaalsContact O-CB 3.26Å; M82-Y86 WeakPolarHBondContact O-CB 3.17Å; M82-Y86 PolarHBondContact O-N 3.19Å; F83-Y86 PolarHBondContact O-N 2.91Å; Y86-T88 VanDerWaalsContact C-N 3.3Å; Y86-T88 PolarHBondContact O-N 3.43Å; Y86-A89 PolarHBondContact O-N 3.41Å; Y86-L90 HydrophobicContact CD1-CD1 3.84Å; Y86-L90 HydrophobicContact CD1-CG 4.42Å; Y86-L90 HydrophobicContact CE1-CD1 3.25Å; Y86-L90 HydrophobicContact CE1-CG 4.04Å; Y86-L90 HydrophobicContact CE2-CD1 4.3Å; Y86-L90 HydrophobicContact CE2-CG 4.26Å; Y86-L90 WeakPolarHBondContact O-CB 3.15Å; Y86-L90 WeakPolarHBondContact O-CG 3.39Å; Y86-L90 PolarHBondContact O-N 3.41Å
87G90.9Very high90.2Very high15 Ų1571.1 Ų71.116%0.15536%0.361CS..Hα-helixtrans-62.9-36.7176.800000112.6F83 F91F83-G87 PolarHBondContact O-N 2.86Å; G87-F91 WeakPolarHBondContact O-CB 3.45Å; G87-F91 PolarHBondContact O-N 2.88Å
88T92.6Very high90.4Very high14 Ų1469.7 Ų69.79%0.08635%0.35CS..Hα-helixtrans-63.9-46.3174-59.40000111.6A59 I62 G63 A84 T85 Y86 F91 S92A59-T88 HydrophobicContact CB-CG2 3.75Å; A59-T88 WeakPolarHBondContact O-CG2 3.04Å; I62-T88 HydrophobicContact CB-CG2 4.43Å; I62-T88 HydrophobicContact CG2-CG2 4.49Å; G63-T88 WeakPolarHBondContact CA-OG1 3.42Å; G63-T88 PolarHBondContact N-OG1 3.5Å; A84-T88 VanDerWaalsContact O-CB 3.26Å; A84-T88 WeakPolarHBondContact O-CB 3.38Å; A84-T88 PolarHBondContact O-N 3.4Å; A84-T88 PolarHBondContact O-OG1 2.92Å; T85-T88 PolarHBondContact O-N 2.86Å; Y86-T88 VanDerWaalsContact C-N 3.3Å; Y86-T88 PolarHBondContact O-N 3.43Å; T88-F91 PolarHBondContact O-N 3.42Å; T88-S92 VanDerWaalsContact O-CB 3.25Å; T88-S92 WeakPolarHBondContact O-CB 3.25Å; T88-S92 PolarHBondContact O-N 3.17Å; T88-S92 PolarHBondContact O-OG 3Å
89A93.2Very high90.6Very high34 Ų3463.9 Ų63.928%0.28132%0.32SS..Hα-helixtrans-63.5-46.3178.600000110.9T85 Y86 F91 S92 F93T85-A89 WeakPolarHBondContact O-CB 3.38Å; T85-A89 PolarHBondContact O-N 3.46Å; Y86-A89 PolarHBondContact O-N 3.41Å; A89-F91 PolarHBondContact O-N 3.01Å; A89-S92 PolarHBondContact O-N 3.43Å; A89-F93 HydrophobicContact CB-CD2 4.16Å; A89-F93 HydrophobicContact CB-CE2 4.21Å; A89-F93 WeakPolarHBondContact O-CB 3.46Å; A89-F93 WeakPolarHBondContact O-CD2 3.5Å; A89-F93 PolarHBondContact O-N 2.8Å
90L92.5Very high90.8Very high95 Ų9557.3 Ų57.350%0.49730%0.302SS..Hα-helixtrans-57.2-48.6175.6-78.5-178.6000111.9Y86 G94Y86-L90 HydrophobicContact CD1-CD1 3.84Å; Y86-L90 HydrophobicContact CD1-CG 4.42Å; Y86-L90 HydrophobicContact CE1-CD1 3.25Å; Y86-L90 HydrophobicContact CE1-CG 4.04Å; Y86-L90 HydrophobicContact CE2-CD1 4.3Å; Y86-L90 HydrophobicContact CE2-CG 4.26Å; Y86-L90 WeakPolarHBondContact O-CB 3.15Å; Y86-L90 WeakPolarHBondContact O-CG 3.39Å; Y86-L90 PolarHBondContact O-N 3.41Å; L90-G94 WeakPolarHBondContact O-CA 3.47Å; L90-G94 PolarHBondContact O-N 3.43Å
91F90.7Very high91.1Very high37 Ų3758.6 Ų58.616%0.16231%0.313CS..Hα-helixtrans-63.7-48.2178.3-173.8-84.6000111.4H26 I62 G87 T88 A89 G94 S95 L123 I124H26-F91 AromaticContact CD2-CE1 3.79Å; H26-F91 AromaticContact CE1-CE1 3.9Å; H26-F91 AromaticContact NE2-CE1 3.52Å; I62-F91 HydrophobicContact CD1-CD1 3.3Å; I62-F91 HydrophobicContact CD1-CE1 3.51Å; I62-F91 HydrophobicContact CD1-CG 4.23Å; I62-F91 HydrophobicContact CG1-CD1 4.35Å; I62-F91 HydrophobicContact CG1-CE1 4.46Å; G87-F91 WeakPolarHBondContact O-CB 3.45Å; G87-F91 PolarHBondContact O-N 2.88Å; T88-F91 PolarHBondContact O-N 3.42Å; A89-F91 PolarHBondContact O-N 3.01Å; F91-G94 PolarHBondContact O-N 2.84Å; F91-S95 WeakPolarHBondContact O-CB 3.32Å; F91-S95 PolarHBondContact O-N 2.89Å; F91-S95 PolarHBondContact O-OG 2.87Å; F91-L123 HydrophobicContact CE2-CB 3.99Å; F91-L123 HydrophobicContact CZ-CB 4.02Å; F91-I124 HydrophobicContact CZ-CG1 3.89Å
92S91.2Very high91.2Very high3 Ų357 Ų572%0.02130%0.302CS..Hα-helixtrans-67.5-46.4-173.4-52.20000111.6F55 T88 A89 V96F55-S92 VanDerWaalsContact CZ-CB 3.48Å; T88-S92 VanDerWaalsContact O-CB 3.25Å; T88-S92 WeakPolarHBondContact O-CB 3.25Å; T88-S92 PolarHBondContact O-N 3.17Å; T88-S92 PolarHBondContact O-OG 3Å; A89-S92 PolarHBondContact O-N 3.43Å; S92-V96 WeakPolarHBondContact O-CG2 3.45Å; S92-V96 PolarHBondContact O-N 3.21Å; S92-V96 VanDerWaalsContact O-N 3.15Å
93F91.8Very high91.1Very high137 Ų13755.9 Ų55.960%0.60129%0.294SS*.Hα-helixtrans-72.6-33.8176-67.2-59000112.4A89 V96 F97A89-F93 HydrophobicContact CB-CD2 4.16Å; A89-F93 HydrophobicContact CB-CE2 4.21Å; A89-F93 WeakPolarHBondContact O-CB 3.46Å; A89-F93 WeakPolarHBondContact O-CD2 3.5Å; A89-F93 PolarHBondContact O-N 2.8Å; F93-V96 PolarHBondContact O-N 3.39Å; F93-F97 WeakPolarHBondContact O-CB 3.35Å; F93-F97 PolarHBondContact O-N 2.88Å
94G92Very high91.1Very high35 Ų3558.8 Ų58.836%0.36131%0.311SS..Hα-helixtrans-60.9-43.1172.900000112.3L90 F91 F97 L98L90-G94 WeakPolarHBondContact O-CA 3.47Å; L90-G94 PolarHBondContact O-N 3.43Å; F91-G94 PolarHBondContact O-N 2.84Å; G94-F97 PolarHBondContact O-N 3.46Å; G94-L98 WeakPolarHBondContact O-CB 3.49Å; G94-L98 PolarHBondContact O-N 2.95Å
95S91.2Very high91.1Very high1 Ų162.7 Ų62.71%0.00734%0.343CS..Hα-helixtrans-63.1-43.9174-650000112.4H26 F91 F97 L98 F99 L123H26-S95 PolarHBondContact CE1-OG 3.24Å; H26-S95 WeakPolarHBondContact NE2-CB 3.45Å; H26-S95 PolarHBondContact NE2-OG 3.27Å; F91-S95 WeakPolarHBondContact O-CB 3.32Å; F91-S95 PolarHBondContact O-N 2.89Å; F91-S95 PolarHBondContact O-OG 2.87Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F97 PolarHBondContact O-N 2.89Å; S95-L98 PolarHBondContact O-N 2.89Å; S95-F99 WeakPolarHBondContact O-CB 3.43Å; S95-F99 WeakPolarHBondContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CG 3.17Å; S95-F99 PolarHBondContact O-N 3.34Å; S95-L123 WeakPolarHBondContact OG-CD1 3.45Å
96V91.2Very high90.9Very high39 Ų3959.7 Ų59.724%0.23633%0.325CS..Hα-helixtrans-62.6-42.4176.4172.60000111.2F29 F55 S92 F93 F99 G100F29-V96 HydrophobicContact CE1-CG2 3.9Å; F29-V96 HydrophobicContact CZ-CG2 3.76Å; F55-V96 HydrophobicContact CD2-CG2 4.26Å; F55-V96 HydrophobicContact CE2-CG2 3.57Å; F55-V96 HydrophobicContact CZ-CG2 4.15Å; S92-V96 WeakPolarHBondContact O-CG2 3.45Å; S92-V96 PolarHBondContact O-N 3.21Å; S92-V96 VanDerWaalsContact O-N 3.15Å; F93-V96 PolarHBondContact O-N 3.39Å; V96-F99 PolarHBondContact O-N 2.85Å; V96-G100 PolarHBondContact O-N 2.94Å
97F92.3Very high90.5Very high153 Ų15360 Ų6067%0.67134%0.337SS*.Hα-helixtrans-58.7-48.1174.7177-97.3000110.9F93 G94 S95 F99 G100 S101F93-F97 WeakPolarHBondContact O-CB 3.35Å; F93-F97 PolarHBondContact O-N 2.88Å; G94-F97 PolarHBondContact O-N 3.46Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F97 PolarHBondContact O-N 2.89Å; F97-F99 PolarHBondContact O-N 2.85Å; F97-G100 WeakPolarHBondContact O-CA 3.49Å; F97-G100 PolarHBondContact O-N 2.94Å; F97-G100 VanDerWaalsContact O-N 3.13Å; F97-S101 PolarHBondContact O-N 3.4Å; F97-S101 PolarHBondContact O-OG 3.3Å; F97-S101 VanDerWaalsContact O-OG 3.08Å
98L90.7Very high90.3Very high61 Ų6163.1 Ų63.132%0.31936%0.356SS..Hα-helixtrans-61.8-42178.3-171.264.7000112.1G94 S95 S101 I102 A119 L123G94-L98 WeakPolarHBondContact O-CB 3.49Å; G94-L98 PolarHBondContact O-N 2.95Å; S95-L98 PolarHBondContact O-N 2.89Å; L98-S101 PolarHBondContact O-N 2.69Å; L98-I102 HydrophobicContact CG-CD1 4.2Å; L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 3.36Å; L98-A119 HydrophobicContact CD2-CB 3.72Å; L98-A119 HydrophobicContact CG-CB 4.38Å; L98-L123 HydrophobicContact CD2-CD1 3.65Å; L98-L123 HydrophobicContact CD2-CD2 4.49Å; L98-L123 HydrophobicContact CD2-CG 4.08Å
99F90.2Very high89.9Confident0 Ų066.1 Ų66.10%037%0.371CS..Hα-helixtrans-64.5-40173.6-63.6-23.8000111.9H26 F29 Y33 M34 S95 V96 F97 S101 I102 K103 A116 A119H26-F99 AromaticContact CE1-CZ 3.93Å; F29-F99 HydrophobicContact CD1-CD2 4.35Å; F29-F99 AromaticContact CD1-CE2 3.85Å; F29-F99 HydrophobicContact CD1-CE2 3.85Å; F29-F99 AromaticContact CE1-CD2 3.86Å; F29-F99 HydrophobicContact CE1-CD2 3.86Å; F29-F99 AromaticContact CE1-CE2 3.79Å; F29-F99 HydrophobicContact CE1-CE2 3.79Å; Y33-F99 HydrophobicContact CD1-CB 3.84Å; Y33-F99 HydrophobicContact CD1-CD2 4.49Å; Y33-F99 HydrophobicContact CE1-CB 3.85Å; M34-F99 HydrophobicContact CE-CB 3.64Å; M34-F99 HydrophobicContact CE-CD1 4.1Å; M34-F99 HydrophobicContact CE-CG 4.1Å; M34-F99 VanDerWaalsContact CE-O 3.28Å; M34-F99 WeakPolarHBondContact CE-O 3.41Å; S95-F99 WeakPolarHBondContact O-CB 3.43Å; S95-F99 WeakPolarHBondContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CG 3.17Å; S95-F99 PolarHBondContact O-N 3.34Å; V96-F99 PolarHBondContact O-N 2.85Å; F97-F99 PolarHBondContact O-N 2.85Å; F99-S101 VanDerWaalsContact C-N 3.33Å; F99-S101 PolarHBondContact O-N 3.21Å; F99-I102 HydrophobicContact CD1-CD1 4.39Å; F99-I102 PolarHBondContact O-N 2.91Å; F99-K103 VanDerWaalsContact O-CB 3.29Å; F99-K103 WeakPolarHBondContact O-CB 3.28Å; F99-K103 PolarHBondContact O-N 2.77Å; F99-A116 HydrophobicContact CD1-CB 4.24Å; F99-A116 HydrophobicContact CE1-CB 4.22Å; F99-A116 WeakPolarHBondContact CE1-O 3.37Å; F99-A119 HydrophobicContact CE1-CB 4.31Å
100G91.2Very high89.6Confident20 Ų2067 Ų6721%0.20638%0.383CS..Hα-helixtrans-56.3-47.817100000111.6V96 F97 K103 M104V96-G100 PolarHBondContact O-N 2.94Å; F97-G100 WeakPolarHBondContact O-CA 3.49Å; F97-G100 PolarHBondContact O-N 2.94Å; F97-G100 VanDerWaalsContact O-N 3.13Å; G100-K103 PolarHBondContact O-N 2.89Å; G100-M104 WeakPolarHBondContact O-CG 3.42Å; G100-M104 PolarHBondContact O-N 3.39Å
101S91.5Very high89.4Confident49 Ų4967.4 Ų67.434%0.34339%0.385SS..Hα-helixtrans-62.4-44.5177.3-53.50000112.6F97 L98 F99 K103 M104 A105F97-S101 PolarHBondContact O-N 3.4Å; F97-S101 PolarHBondContact O-OG 3.3Å; F97-S101 VanDerWaalsContact O-OG 3.08Å; L98-S101 PolarHBondContact O-N 2.69Å; F99-S101 VanDerWaalsContact C-N 3.33Å; F99-S101 PolarHBondContact O-N 3.21Å; S101-K103 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 3.46Å; S101-M104 PolarHBondContact O-N 3.09Å; S101-A105 VanDerWaalsContact O-CB 3.31Å; S101-A105 WeakPolarHBondContact O-CB 3.35Å; S101-A105 PolarHBondContact O-N 2.92Å
102I90.6Very high89.3Confident27 Ų2766.9 Ų66.914%0.13838%0.382CS..Hα-helixtrans-61.8-42.5176.2-69.5164.5000110.5M34 L98 F99 M104 A105 T106 R112 A115 A119M34-I102 HydrophobicContact CE-CB 3.95Å; M34-I102 HydrophobicContact CE-CG2 3.84Å; L98-I102 HydrophobicContact CG-CD1 4.2Å; L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 3.36Å; F99-I102 HydrophobicContact CD1-CD1 4.39Å; F99-I102 PolarHBondContact O-N 2.91Å; I102-M104 VanDerWaalsContact C-N 3.3Å; I102-M104 PolarHBondContact O-N 3.39Å; I102-A105 PolarHBondContact O-N 3.33Å; I102-T106 PolarHBondContact O-N 3.29Å; I102-R112 HydrophobicContact CG2-CG 4.29Å; I102-A115 HydrophobicContact CD1-CB 4.31Å; I102-A115 HydrophobicContact CG1-CB 4.48Å; I102-A115 HydrophobicContact CG2-CB 3.62Å; I102-A119 HydrophobicContact CD1-CB 3.68Å
103K87.2Confident89.1Confident100 Ų10068.2 Ų68.244%0.43539%0.389SS..Hα-helixtrans-64.1-34.9178.1-176.9175.9179.1-179.80112.1M34 F99 G100 S101M34-K103 HydrophobicContact SD-CB 4.07Å; F99-K103 VanDerWaalsContact O-CB 3.29Å; F99-K103 WeakPolarHBondContact O-CB 3.28Å; F99-K103 PolarHBondContact O-N 2.77Å; G100-K103 PolarHBondContact O-N 2.89Å; S101-K103 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 3.46Å
104M89.9Confident89Confident171 Ų17163.9 Ų63.984%0.84238%0.378SS*.Hα-helixtrans-77.1-28.6175.5-70-178.569.700113.2G100 S101 I102G100-M104 WeakPolarHBondContact O-CG 3.42Å; G100-M104 PolarHBondContact O-N 3.39Å; S101-M104 PolarHBondContact O-N 3.09Å; I102-M104 VanDerWaalsContact C-N 3.3Å; I102-M104 PolarHBondContact O-N 3.39Å
105A90Very high88.9Confident87 Ų8763.5 Ų63.572%0.71937%0.372SS*.Hα-helixtrans-83.9-17-176.800000113.9S101 I102S101-A105 VanDerWaalsContact O-CB 3.31Å; S101-A105 WeakPolarHBondContact O-CB 3.35Å; S101-A105 PolarHBondContact O-N 2.92Å; I102-A105 PolarHBondContact O-N 3.33Å
106T85.3Confident88.8Confident24 Ų2463.5 Ų63.515%0.14737%0.372CS..  trans-142.6127.1-177-153.60000113.8I102 L111 R112I102-T106 PolarHBondContact O-N 3.29Å; T106-L111 HydrophobicContact CG2-CB 4.45Å; T106-L111 WeakPolarHBondContact OG1-CD2 3.48Å; T106-R112 HydrophobicContact CG2-CB 3.6Å; T106-R112 HydrophobicContact CG2-CG 4.17Å
107D83.6Confident88.7Confident157 Ų15765.2 Ų65.284%0.8438%0.38SS*.  trans-83.3-21.8173.9-63.4-45.8000112.3N109D107-N109 PolarHBondContact O-N 3.46Å
108C87.3Confident88.6Confident82 Ų8264.1 Ų64.155%0.55438%0.38SS*.  trans-72.7112.1-177.8-66.70000111.2G110 L111 R112C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 2.8Å; C108-L111 HydrophobicContact CB-CB 3.99Å; C108-L111 PolarHBondContact O-N 2.9Å; C108-L111 VanDerWaalsContact O-N 3.16Å; C108-R112 WeakPolarHBondContact O-CB 3.34Å; C108-R112 PolarHBondContact O-N 3.3Å
109N84.7Confident88.6Confident77 Ų7761.9 Ų61.941%0.41237%0.37SS..Hα-helixtrans-52.4-43.3179.9-74.4-48.7000114.2D107 R112 L113D107-N109 PolarHBondContact O-N 3.46Å; N109-R112 PolarHBondContact OD1-NH2 2.73Å; N109-L113 WeakPolarHBondContact O-CG 3.08Å; N109-L113 PolarHBondContact O-N 2.88Å; N109-L113 VanDerWaalsContact O-N 3.16Å
110G86.4Confident88.5Confident52 Ų5261.9 Ų61.954%0.53637%0.37SS..Hα-helixtrans-65.4-44.8179.800000112.5C108 R112 L113 A114C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 2.8Å; G110-R112 VanDerWaalsContact C-N 3.34Å; G110-R112 PolarHBondContact O-N 2.82Å; G110-L113 PolarHBondContact O-N 3.48Å; G110-A114 PolarHBondContact O-N 3.35Å
111L88.6Confident88.4Confident104 Ų10462.6 Ų62.655%0.54538%0.378SS..Hα-helixtrans-66.2-39.4178.9-172.958.9000111.2T106 C108 L113 A114 A115T106-L111 HydrophobicContact CG2-CB 4.45Å; T106-L111 WeakPolarHBondContact OG1-CD2 3.48Å; C108-L111 HydrophobicContact CB-CB 3.99Å; C108-L111 PolarHBondContact O-N 2.9Å; C108-L111 VanDerWaalsContact O-N 3.16Å; L111-L113 PolarHBondContact O-N 3.46Å; L111-A114 PolarHBondContact O-N 2.93Å; L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 3.27Å
112R87.6Confident88.3Confident25 Ų2562.7 Ų62.79%0.09438%0.382CS..Hα-helixtrans-59.5-43.9176.3-170161.855.9117.82.7112.8M34 I102 T106 C108 N109 G110 A116M34-R112 HydrophobicContact CB-CG 4.17Å; M34-R112 HydrophobicContact CE-CG 4.13Å; M34-R112 HydrophobicContact CG-CG 3.89Å; M34-R112 PolarHBondContact O-NH1 3.27Å; M34-R112 PolarHBondContact O-NH2 3.09Å; M34-R112 HydrophobicContact SD-CG 3.4Å; M34-R112 WeakPolarHBondContact SD-CG 3.49Å; I102-R112 HydrophobicContact CG2-CG 4.29Å; T106-R112 HydrophobicContact CG2-CB 3.6Å; T106-R112 HydrophobicContact CG2-CG 4.17Å; C108-R112 WeakPolarHBondContact O-CB 3.34Å; C108-R112 PolarHBondContact O-N 3.3Å; N109-R112 PolarHBondContact OD1-NH2 2.73Å; G110-R112 VanDerWaalsContact C-N 3.34Å; G110-R112 PolarHBondContact O-N 2.82Å; R112-A116 VanDerWaalsContact O-CB 3.3Å; R112-A116 WeakPolarHBondContact O-CB 3.15Å; R112-A116 PolarHBondContact O-N 3.49Å
113L88.1Confident88.3Confident32 Ų3264 Ų6417%0.16839%0.389CS..Hα-helixtrans-68.3-45.3177.4-70.4167.7000111.8L31 M34 R35 N109 G110 L111 A116 L117L31-L113 HydrophobicContact CD2-CB 4.48Å; L31-L113 HydrophobicContact CD2-CD2 3.74Å; M34-L113 HydrophobicContact CB-CD2 3.81Å; R35-L113 HydrophobicContact CB-CD2 4.27Å; R35-L113 HydrophobicContact CG-CD1 4.18Å; R35-L113 HydrophobicContact CG-CD2 4.25Å; R35-L113 HydrophobicContact CG-CG 4.5Å; N109-L113 WeakPolarHBondContact O-CG 3.08Å; N109-L113 PolarHBondContact O-N 2.88Å; N109-L113 VanDerWaalsContact O-N 3.16Å; G110-L113 PolarHBondContact O-N 3.48Å; L111-L113 PolarHBondContact O-N 3.46Å; L113-A116 PolarHBondContact O-N 2.94Å; L113-L117 PolarHBondContact O-N 2.86Å
114A89.6Confident88.3Confident45 Ų4561.4 Ų61.437%0.37238%0.379SS..Hα-helixtrans-60.6-47.117700000110.9G110 L111 A116 L117 L118G110-A114 PolarHBondContact O-N 3.35Å; L111-A114 PolarHBondContact O-N 2.93Å; A114-A116 PolarHBondContact O-N 3.37Å; A114-L117 PolarHBondContact O-N 2.87Å; A114-L118 WeakPolarHBondContact O-CB 3.42Å; A114-L118 VanDerWaalsContact O-CG 3.23Å; A114-L118 WeakPolarHBondContact O-CG 3.3Å; A114-L118 PolarHBondContact O-N 3.04Å
115A89.7Confident88.2Confident28 Ų2857.1 Ų57.123%0.23137%0.365CS..Hα-helixtrans-61.8-41.3176.600000112I102 L111 L118 A119I102-A115 HydrophobicContact CD1-CB 4.31Å; I102-A115 HydrophobicContact CG1-CB 4.48Å; I102-A115 HydrophobicContact CG2-CB 3.62Å; L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 3.27Å; A115-L118 PolarHBondContact O-N 2.95Å; A115-A119 WeakPolarHBondContact O-CB 3.19Å; A115-A119 PolarHBondContact O-N 2.86Å
116A88.7Confident88.1Confident1 Ų157.5 Ų57.51%0.00836%0.358CS..Hα-helixtrans-64.6-43.2176.800000112.8M34 F99 R112 L113 A114 S120M34-A116 HydrophobicContact CE-CB 3.7Å; M34-A116 HydrophobicContact CG-CB 3.69Å; F99-A116 HydrophobicContact CD1-CB 4.24Å; F99-A116 HydrophobicContact CE1-CB 4.22Å; F99-A116 WeakPolarHBondContact CE1-O 3.37Å; R112-A116 VanDerWaalsContact O-CB 3.3Å; R112-A116 WeakPolarHBondContact O-CB 3.15Å; R112-A116 PolarHBondContact O-N 3.49Å; L113-A116 PolarHBondContact O-N 2.94Å; A114-A116 PolarHBondContact O-N 3.37Å; A116-S120 VanDerWaalsContact O-CB 3.25Å; A116-S120 WeakPolarHBondContact O-CB 3.39Å; A116-S120 PolarHBondContact O-N 3.35Å
117L89Confident88.2Confident75 Ų7557.1 Ų57.139%0.39336%0.359SS..Hα-helixtrans-65.1-45.1176.4-78.7179.5000111.7L31 L113 A114 S120 G121L31-L117 HydrophobicContact CD1-CD2 3.98Å; L31-L117 HydrophobicContact CD2-CD1 3.87Å; L31-L117 HydrophobicContact CD2-CD2 3.86Å; L31-L117 HydrophobicContact CD2-CG 3.69Å; L31-L117 HydrophobicContact CG-CD2 3.75Å; L31-L117 HydrophobicContact CG-CG 4.17Å; L113-L117 PolarHBondContact O-N 2.86Å; A114-L117 PolarHBondContact O-N 2.87Å; L117-S120 PolarHBondContact O-N 2.87Å; L117-G121 PolarHBondContact O-N 3.31Å
118L91.5Very high88.2Confident129 Ų12954.6 Ų54.668%0.67534%0.341SS*.Hα-helixtrans-63.2-44.7176.9-71.8172.3000111.1A114 A115 G121 A122A114-L118 WeakPolarHBondContact O-CB 3.42Å; A114-L118 VanDerWaalsContact O-CG 3.23Å; A114-L118 WeakPolarHBondContact O-CG 3.3Å; A114-L118 PolarHBondContact O-N 3.04Å; A115-L118 PolarHBondContact O-N 2.95Å; L118-G121 PolarHBondContact O-N 3.15Å; L118-A122 WeakPolarHBondContact O-CB 3.49Å; L118-A122 PolarHBondContact O-N 3.11Å
119A90.3Very high88.2Confident14 Ų1457 Ų5712%0.11634%0.344CS..Hα-helixtrans-62.9-44.4176.600000112.1L98 F99 I102 A115 A122 L123L98-A119 HydrophobicContact CD2-CB 3.72Å; L98-A119 HydrophobicContact CG-CB 4.38Å; F99-A119 HydrophobicContact CE1-CB 4.31Å; I102-A119 HydrophobicContact CD1-CB 3.68Å; A115-A119 WeakPolarHBondContact O-CB 3.19Å; A115-A119 PolarHBondContact O-N 2.86Å; A119-A122 PolarHBondContact O-N 2.73Å; A119-L123 WeakPolarHBondContact O-CB 3.37Å; A119-L123 VanDerWaalsContact O-CG 3.31Å; A119-L123 WeakPolarHBondContact O-CG 3.14Å; A119-L123 PolarHBondContact O-N 2.93Å
120S88.4Confident88.2Confident0 Ų060.3 Ų60.30%035%0.352CS..Hα-helixtrans-59.5-50.7174.6-1800000111.1H26 S27 A116 L117 A122 L123 I124H26-S120 PolarHBondContact ND1-OG 2.81Å; S27-S120 PolarHBondContact OG-OG 3.29Å; A116-S120 VanDerWaalsContact O-CB 3.25Å; A116-S120 WeakPolarHBondContact O-CB 3.39Å; A116-S120 PolarHBondContact O-N 3.35Å; L117-S120 PolarHBondContact O-N 2.87Å; S120-A122 PolarHBondContact O-N 2.86Å; S120-L123 PolarHBondContact O-N 3.29Å; S120-I124 WeakPolarHBondContact O-CD1 3.31Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.32Å; S120-I124 PolarHBondContact O-N 3.47Å
121G88.5Confident88.1Confident36 Ų3660.3 Ų60.337%0.37134%0.337SS..Hα-helixtrans-60.8-43.5178.300000112.4L117 L118 I124 C125L117-G121 PolarHBondContact O-N 3.31Å; L118-G121 PolarHBondContact O-N 3.15Å; G121-I124 PolarHBondContact O-N 3.32Å; G121-C125 VanDerWaalsContact O-CB 3.22Å; G121-C125 WeakPolarHBondContact O-CB 3.39Å; G121-C125 PolarHBondContact O-N 3.01Å
122A90.4Very high87.8Confident51 Ų5158.3 Ų58.342%0.42133%0.327SS..Hα-helixtrans-64.1-47.6177.300000111.8L118 A119 S120 I124 C125 V126L118-A122 WeakPolarHBondContact O-CB 3.49Å; L118-A122 PolarHBondContact O-N 3.11Å; A119-A122 PolarHBondContact O-N 2.73Å; S120-A122 PolarHBondContact O-N 2.86Å; A122-I124 VanDerWaalsContact C-N 3.35Å; A122-I124 PolarHBondContact O-N 3.37Å; A122-C125 PolarHBondContact O-N 2.96Å; A122-V126 WeakPolarHBondContact O-CB 3.42Å; A122-V126 VanDerWaalsContact O-CG2 3.28Å; A122-V126 WeakPolarHBondContact O-CG2 3.35Å; A122-V126 PolarHBondContact O-N 3.36Å
123L89.4Confident87.6Confident54 Ų5462 Ų6228%0.28335%0.345SS..Hα-helixtrans-60.6-43.1178-77.9175.7000112F91 S95 L98 A119 S120 G127F91-L123 HydrophobicContact CE2-CB 3.99Å; F91-L123 HydrophobicContact CZ-CB 4.02Å; S95-L123 WeakPolarHBondContact OG-CD1 3.45Å; L98-L123 HydrophobicContact CD2-CD1 3.65Å; L98-L123 HydrophobicContact CD2-CD2 4.49Å; L98-L123 HydrophobicContact CD2-CG 4.08Å; A119-L123 WeakPolarHBondContact O-CB 3.37Å; A119-L123 VanDerWaalsContact O-CG 3.31Å; A119-L123 WeakPolarHBondContact O-CG 3.14Å; A119-L123 PolarHBondContact O-N 2.93Å; S120-L123 PolarHBondContact O-N 3.29Å; L123-G127 WeakPolarHBondContact O-CA 3.24Å; L123-G127 PolarHBondContact O-N 3.37Å
124I86.9Confident87.5Confident46 Ų4662.4 Ų62.424%0.23635%0.348CS..Hα-helixtrans-65.7-43.8177.3-66.7165.3000110.5A23 H26 F91 S120 G121 A122 K128A23-I124 HydrophobicContact CB-CD1 3.92Å; A23-I124 HydrophobicContact CB-CG2 4.28Å; H26-I124 HydrophobicContact CB-CD1 4.21Å; F91-I124 HydrophobicContact CZ-CG1 3.89Å; S120-I124 WeakPolarHBondContact O-CD1 3.31Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.32Å; S120-I124 PolarHBondContact O-N 3.47Å; G121-I124 PolarHBondContact O-N 3.32Å; A122-I124 VanDerWaalsContact C-N 3.35Å; A122-I124 PolarHBondContact O-N 3.37Å; I124-K128 WeakPolarHBondContact O-CB 3.29Å; I124-K128 PolarHBondContact O-N 3.45Å
125C87.3Confident87.1Confident80 Ų8061.9 Ų61.954%0.54134%0.339SS..Hα-helixtrans-65.1-52.8-179.3-169.90000111.8G121 A122 G127 K128 E129G121-C125 VanDerWaalsContact O-CB 3.22Å; G121-C125 WeakPolarHBondContact O-CB 3.39Å; G121-C125 PolarHBondContact O-N 3.01Å; A122-C125 PolarHBondContact O-N 2.96Å; C125-G127 PolarHBondContact O-N 3.14Å; C125-K128 PolarHBondContact O-N 2.94Å; C125-E129 PolarHBondContact O-N 3.36Å
126V89.4Confident86.7Confident96 Ų9666 Ų6658%0.58235%0.354SS*.Hα-helixtrans-63-43.1178.21730000110.6A122 K128 E129 Y130A122-V126 WeakPolarHBondContact O-CB 3.42Å; A122-V126 VanDerWaalsContact O-CG2 3.28Å; A122-V126 WeakPolarHBondContact O-CG2 3.35Å; A122-V126 PolarHBondContact O-N 3.36Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 3.11Å; V126-E129 PolarHBondContact O-N 2.96Å; V126-Y130 VanDerWaalsContact O-CB 3.29Å; V126-Y130 WeakPolarHBondContact O-CB 3.1Å; V126-Y130 PolarHBondContact O-N 3.08Å
127G86.2Confident86.4Confident16 Ų1670 Ų7017%0.16538%0.375CS..Hα-helixtrans-59.8-45.1176.400000111.7L123 C125 Y130 F131L123-G127 WeakPolarHBondContact O-CA 3.24Å; L123-G127 PolarHBondContact O-N 3.37Å; C125-G127 PolarHBondContact O-N 3.14Å; G127-Y130 PolarHBondContact O-N 2.87Å; G127-F131 WeakPolarHBondContact O-CB 3.46Å; G127-F131 WeakPolarHBondContact O-CD2 3.19Å; G127-F131 PolarHBondContact O-N 3.13Å
128K84.3Confident85.8Confident104 Ų10467.8 Ų67.845%0.45237%0.369SS..Hα-helixtrans-60.8-47.8176176.9167.8171.2430111.9I124 C125 V126 F131 D132I124-K128 WeakPolarHBondContact O-CB 3.29Å; I124-K128 PolarHBondContact O-N 3.45Å; C125-K128 PolarHBondContact O-N 2.94Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 3.11Å; K128-F131 PolarHBondContact O-N 3.5Å; K128-D132 IonicContact NZ-OD1 2.78Å; K128-D132 IonicContact NZ-OD2 3.75Å; K128-D132 PolarHBondContact NZ-OD2 2.89Å; K128-D132 VanDerWaalsContact O-CB 3.32Å; K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 VanDerWaalsContact O-CG 3.25Å; K128-D132 PolarHBondContact O-N 2.94Å
129E86.6Confident85Confident133 Ų13363.9 Ų63.962%0.62136%0.356SS*.Hα-helixtrans-62.4-43.7179.1-171.5175.9168.900112C125 V126 F131 D132 H133C125-E129 PolarHBondContact O-N 3.36Å; V126-E129 PolarHBondContact O-N 2.96Å; E129-F131 PolarHBondContact O-N 3.27Å; E129-D132 PolarHBondContact O-N 3.43Å; E129-H133 WeakPolarHBondContact O-CB 3.43Å; E129-H133 PolarHBondContact O-N 3.34Å
130Y85.1Confident84.3Confident146 Ų14668.8 Ų68.857%0.57338%0.377SS*.Hα-helixtrans-58.4-50.4175.1176.9-98.3000111.6V126 G127 D132 H133 V134V126-Y130 VanDerWaalsContact O-CB 3.29Å; V126-Y130 WeakPolarHBondContact O-CB 3.1Å; V126-Y130 PolarHBondContact O-N 3.08Å; G127-Y130 PolarHBondContact O-N 2.87Å; Y130-D132 PolarHBondContact O-N 3.16Å; Y130-H133 PolarHBondContact O-N 3.16Å; Y130-V134 HydrophobicContact CD1-CG2 4.3Å; Y130-V134 HydrophobicContact CE1-CG2 3.9Å; Y130-V134 HydrophobicContact CE2-CG2 4.29Å; Y130-V134 VanDerWaalsContact O-CG2 3.32Å; Y130-V134 WeakPolarHBondContact O-CG2 3.28Å; Y130-V134 PolarHBondContact O-N 3.38Å
131F84.1Confident83.4Confident51 Ų5173.2 Ų73.222%0.22441%0.407CS..Hα-helixtrans-68-35.2-179.8-78.4-55.9000112.5Y65 L66 M69 G127 K128 E129 N135Y65-F131 HydrophobicContact CE1-CB 4.26Å; Y65-F131 HydrophobicContact CE1-CD2 4.37Å; L66-F131 HydrophobicContact CD1-CZ 4.5Å; L66-F131 HydrophobicContact CD2-CD1 3.89Å; L66-F131 HydrophobicContact CD2-CD2 3.72Å; L66-F131 HydrophobicContact CD2-CE1 3.58Å; L66-F131 HydrophobicContact CD2-CE2 3.44Å; L66-F131 VanDerWaalsContact CD2-CE2 3.44Å; L66-F131 HydrophobicContact CD2-CG 3.98Å; L66-F131 HydrophobicContact CD2-CZ 3.36Å; M69-F131 HydrophobicContact CE-CB 3.48Å; M69-F131 VanDerWaalsContact CE-CB 3.48Å; M69-F131 HydrophobicContact CE-CD1 3.7Å; M69-F131 HydrophobicContact CE-CG 3.96Å; M69-F131 WeakPolarHBondContact CE-O 3.36Å; M69-F131 HydrophobicContact SD-CB 3.98Å; M69-F131 HydrophobicContact SD-CD1 3.54Å; M69-F131 VanDerWaalsContact SD-CD1 3.54Å; M69-F131 HydrophobicContact SD-CE1 4.3Å; M69-F131 HydrophobicContact SD-CG 3.9Å; G127-F131 WeakPolarHBondContact O-CB 3.46Å; G127-F131 WeakPolarHBondContact O-CD2 3.19Å; G127-F131 PolarHBondContact O-N 3.13Å; K128-F131 PolarHBondContact O-N 3.5Å; E129-F131 PolarHBondContact O-N 3.27Å; F131-N135 VanDerWaalsContact O-CB 3.31Å; F131-N135 WeakPolarHBondContact O-CB 3.29Å; F131-N135 PolarHBondContact O-N 2.92Å
132D82.5Confident82.3Confident63 Ų6378 Ų7834%0.33741%0.414SS..Hα-helixtrans-65.3-40.9174.1-75.4-17.8000110.6Y65 K128 E129 Y130 N135 Q136Y65-D132 PolarHBondContact OH-OD1 3.22Å; K128-D132 IonicContact NZ-OD1 2.78Å; K128-D132 IonicContact NZ-OD2 3.75Å; K128-D132 PolarHBondContact NZ-OD2 2.89Å; K128-D132 VanDerWaalsContact O-CB 3.32Å; K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 VanDerWaalsContact O-CG 3.25Å; K128-D132 PolarHBondContact O-N 2.94Å; E129-D132 PolarHBondContact O-N 3.43Å; Y130-D132 PolarHBondContact O-N 3.16Å; D132-N135 WeakPolarHBondContact O-CB 3.25Å; D132-N135 PolarHBondContact O-N 3.38Å; D132-Q136 WeakPolarHBondContact O-CG 3.45Å; D132-Q136 PolarHBondContact O-N 3.1Å
133H84.3Confident81.1Confident102 Ų10284.4 Ų84.447%0.47243%0.433SS..Hα-helixtrans-65-46.4175-174.667.2000112.5E129 Y130 N135 Q136 L137E129-H133 WeakPolarHBondContact O-CB 3.43Å; E129-H133 PolarHBondContact O-N 3.34Å; Y130-H133 PolarHBondContact O-N 3.16Å; H133-N135 PolarHBondContact O-N 2.88Å; H133-Q136 WeakPolarHBondContact O-CB 3.45Å; H133-Q136 PolarHBondContact O-N 2.8Å; H133-Q136 VanDerWaalsContact O-N 3.09Å; H133-L137 PolarHBondContact O-N 3.19Å
134V85.3Confident79.4Confident40 Ų4091.4 Ų91.424%0.24247%0.47CS..Hα-helixtrans-58-37.9174.2170.30000111.1Y130 G138Y130-V134 HydrophobicContact CD1-CG2 4.3Å; Y130-V134 HydrophobicContact CE1-CG2 3.9Å; Y130-V134 HydrophobicContact CE2-CG2 4.29Å; Y130-V134 VanDerWaalsContact O-CG2 3.32Å; Y130-V134 WeakPolarHBondContact O-CG2 3.28Å; Y130-V134 PolarHBondContact O-N 3.38Å; V134-G138 PolarHBondContact O-N 3.2Å; V134-G138 VanDerWaalsContact O-N 3.09Å
135N80.5Confident79Confident34 Ų3493.7 Ų93.718%0.18248%0.482CS..Hα-helixtrans-68.7-35.4177.9-163.669.8000112.8M69 E70 H71 F131 D132 H133 A139M69-N135 HydrophobicContact CE-CB 4.21Å; E70-N135 WeakPolarHBondContact CA-OD1 3.45Å; E70-N135 VanDerWaalsContact CB-OD1 3.29Å; E70-N135 WeakPolarHBondContact CB-OD1 3.26Å; E70-N135 PolarHBondContact N-OD1 2.67Å; H71-N135 PolarHBondContact N-OD1 3.42Å; F131-N135 VanDerWaalsContact O-CB 3.31Å; F131-N135 WeakPolarHBondContact O-CB 3.29Å; F131-N135 PolarHBondContact O-N 2.92Å; D132-N135 WeakPolarHBondContact O-CB 3.25Å; D132-N135 PolarHBondContact O-N 3.38Å; H133-N135 PolarHBondContact O-N 2.88Å; N135-A139 PolarHBondContact O-N 3.26Å
136Q82.4Confident78.6Confident116 Ų11694.4 Ų94.454%0.54248%0.479SS..Hα-helixtrans-66.8-47.5174.3-72.3172.6-2.800111.4D132 H133 G138 A139 E140D132-Q136 WeakPolarHBondContact O-CG 3.45Å; D132-Q136 PolarHBondContact O-N 3.1Å; H133-Q136 WeakPolarHBondContact O-CB 3.45Å; H133-Q136 PolarHBondContact O-N 2.8Å; H133-Q136 VanDerWaalsContact O-N 3.09Å; Q136-G138 VanDerWaalsContact C-N 3.29Å; Q136-G138 PolarHBondContact O-N 3.3Å; Q136-A139 WeakPolarHBondContact O-CA 3.31Å; Q136-A139 WeakPolarHBondContact O-CB 3.36Å; Q136-A139 PolarHBondContact O-N 3.29Å; Q136-E140 PolarHBondContact O-N 3.24Å
137L83Confident78Confident85 Ų8594.3 Ų94.345%0.44547%0.473SS..Hα-helixtrans-57-42.8176.8-71171.8000112.1H133 A139 E140 S141H133-L137 PolarHBondContact O-N 3.19Å; L137-A139 PolarHBondContact O-N 2.92Å; L137-E140 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-N 2.97Å
138G76.1Confident77.5Confident27 Ų2798.9 Ų98.928%0.27849%0.491SS..Hα-helixtrans-67.3-20.4176.200000114.4V134 Q136V134-G138 PolarHBondContact O-N 3.2Å; V134-G138 VanDerWaalsContact O-N 3.09Å; Q136-G138 VanDerWaalsContact C-N 3.29Å; Q136-G138 PolarHBondContact O-N 3.3Å
139A74.4Confident77.1Confident48 Ų4898.6 Ų98.640%0.39749%0.494SS..Hα-helixtrans-85.5-35.5174.400000112.1N135 Q136 L137 R142N135-A139 PolarHBondContact O-N 3.26Å; Q136-A139 WeakPolarHBondContact O-CA 3.31Å; Q136-A139 WeakPolarHBondContact O-CB 3.36Å; Q136-A139 PolarHBondContact O-N 3.29Å; L137-A139 PolarHBondContact O-N 2.92Å; A139-R142 PolarHBondContact O-N 3.44Å
140E75Confident76.5Confident117 Ų11796.3 Ų96.355%0.54749%0.485SS..Hα-helixtrans-67.8-46.2176.3-70.8177169.700111.9Q136 L137 R142 K143Q136-E140 PolarHBondContact O-N 3.24Å; L137-E140 PolarHBondContact O-N 3.45Å; E140-R142 PolarHBondContact O-N 3.46Å; E140-K143 PolarHBondContact O-N 3.18Å
141S70.1Confident75.9Confident92 Ų9292.8 Ų92.864%0.64348%0.479SS*.THydrogen-bonded Turntrans-61-7.8176.5-178.90000114.6L137L137-S141 PolarHBondContact O-N 2.97Å
142R66.1Low75.2Confident138 Ų13896 Ų9652%0.52150%0.499SS..THydrogen-bonded Turntrans-96.7-8.2173-81.9-145.5-63-94-3.8114.2H74 A139 E140H74-R142 PolarHBondContact CE1-NH1 2.76Å; H74-R142 PolarHBondContact ND1-NH1 3.27Å; A139-R142 PolarHBondContact O-N 3.44Å; E140-R142 PolarHBondContact O-N 3.46Å
143K63.9Low74.6Confident185 Ų18598.8 Ų98.880%0.80451%0.512SS*.THydrogen-bonded Turntrans-88.7-24.6178.2-74-175.6178.2177.50112.9E140E140-K143 PolarHBondContact O-N 3.18Å
144D54.5Low73.7Confident201 Ų20198.5 Ų98.5100%1.07552%0.516SS*.  trans-84.80173-58-27.5000111

Retrieved 144 of 144 residues in 267.4 ms (Link to these results)