CIB4_SHEEP Loading...

Calcium and integrin-binding family member 4

AlphaFold DB , UniProt , Accession C7A278, Species SHEEP (Ovis aries, Sheep), Gene CIB4, Length 185 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
1M38.3Very low57.7Low240 Ų240119.5 Ų119.5100%1.18260%0.595SS**  086.30-63.5170.3-167.100107
2G43.6Very low60.3Low77 Ų77119.4 Ų119.479%0.79459%0.592SS**  trans-93.3110.7-172.100000110.3C4G2-C4 PolarHBondContact O-N 2.73Å
3Q41.1Very low62.7Low142 Ų142111.5 Ų111.566%0.66455%0.553SS**  trans-61.7128.4158.4-69.7176-3.400107.1L5Q3-L5 VanDerWaalsContact C-N 3.31Å; Q3-L5 PolarHBondContact O-N 3.28Å
4C38.8Very low64.8Low75 Ų75103.8 Ų103.851%0.50752%0.515SS..  trans-72.696.9164.3-162.50000106.1G2 R6 Y7G2-C4 PolarHBondContact O-N 2.73Å; C4-R6 PolarHBondContact O-N 3.5Å; C4-Y7 HydrophobicContact CB-CD2 4.4Å; C4-Y7 CarbonylContact O-C 3.47Å; C4-Y7 PolarHBondContact O-N 3.05Å
5L42.9Very low66.7Low165 Ų165103.7 Ų103.786%0.86451%0.512SS*.THydrogen-bonded Turntrans-55-11.8-177.1-72.9162.2000114.2Q3Q3-L5 VanDerWaalsContact C-N 3.31Å; Q3-L5 PolarHBondContact O-N 3.28Å
6R50.4Low68.5Low198 Ų198103.8 Ų103.875%0.74751%0.511SS*.THydrogen-bonded Turntrans-87.4-22.9176.1-162.1174-174.4-179.30.2113.7C4C4-R6 PolarHBondContact O-N 3.5Å
7Y54.3Low70.1Confident51 Ų5198.5 Ų98.520%0.248%0.484CS..  trans-131.5109.1-175.3-56.8-69.3000108.4C4 M9 L29 H32 D33C4-Y7 HydrophobicContact CB-CD2 4.4Å; C4-Y7 CarbonylContact O-C 3.47Å; C4-Y7 PolarHBondContact O-N 3.05Å; Y7-M9 PolarHBondContact O-N 3.4Å; Y7-L29 HydrophobicContact CD2-CD2 4.44Å; Y7-L29 HydrophobicContact CG-CD2 4.34Å; Y7-H32 AromaticContact CD1-ND1 3.92Å; Y7-D33 HydrophobicContact CE1-CB 3.95Å
8Q71.7Confident71.4Confident123 Ų12398.2 Ų98.258%0.57548%0.481SS*.  trans-68.637.3175.5-66.5179.3-40.300112.9Y45Q8-Y45 WeakPolarHBondContact O-CE1 3.45Å
9M83.1Confident72.6Confident17 Ų1797.5 Ų97.58%0.08449%0.493CS..  trans-110126.7173.1-177.6178.9-7500108.7Y7 D13 L14 Y17 I28 H32 Y45 F82Y7-M9 PolarHBondContact O-N 3.4Å; M9-D13 HydrophobicContact CG-CB 3.93Å; M9-L14 HydrophobicContact CG-CB 4.34Å; M9-L14 HydrophobicContact SD-CB 3.88Å; M9-L14 HydrophobicContact SD-CD1 3.98Å; M9-L14 HydrophobicContact SD-CD2 4.48Å; M9-L14 HydrophobicContact SD-CG 4.34Å; M9-Y17 HydrophobicContact CE-CD2 4.05Å; M9-Y17 HydrophobicContact CE-CE2 3.92Å; M9-Y17 HydrophobicContact SD-CD2 4.21Å; M9-Y17 HydrophobicContact SD-CE2 4.45Å; M9-I28 HydrophobicContact CE-CG2 4.2Å; M9-I28 HydrophobicContact SD-CG2 4.07Å; M9-H32 HydrophobicContact CE-CB 3.99Å; M9-Y45 HydrophobicContact CB-CE1 4.29Å; M9-Y45 HydrophobicContact CE-CE2 4.12Å; M9-Y45 HydrophobicContact CG-CE1 4.48Å; M9-F82 HydrophobicContact CE-CD1 4.47Å; M9-F82 HydrophobicContact CE-CE1 3.38Å; M9-F82 HydrophobicContact CE-CZ 3.43Å; M9-F82 VanDerWaalsContact CE-CZ 3.43Å
10H85.6Confident73.8Confident88 Ų8898.8 Ų98.841%0.40750%0.501SS..  trans-71.8149.4175.3-72.6-81.4000110.2E12 D13 L14H10-E12 PolarHBondContact O-N 2.99Å; H10-D13 PolarHBondContact N-OD2 2.8Å; H10-D13 WeakPolarHBondContact O-CB 3.3Å; H10-D13 PolarHBondContact O-N 3.2Å; H10-L14 PolarHBondContact O-N 3.35Å
11W85.2Confident74.8Confident138 Ų13895.1 Ų95.152%0.52348%0.484SS..Hα-helixtrans-58.5-34.9176.165.7-63000112.4L14 E15W11-L14 PolarHBondContact O-N 2.9Å; W11-E15 WeakPolarHBondContact O-CG 3.22Å; W11-E15 PolarHBondContact O-N 2.9Å
12E89Confident77.5Confident119 Ų11987.2 Ų87.256%0.55644%0.443SS*.Hα-helixtrans-61.3-49.5173.4-71.5159-147.900111.9H10 L14 E15 E16H10-E12 PolarHBondContact O-N 2.99Å; E12-L14 VanDerWaalsContact C-N 3.25Å; E12-L14 PolarHBondContact O-N 3.01Å; E12-E15 PolarHBondContact O-N 3.37Å; E12-E16 WeakPolarHBondContact O-CB 3.3Å; E12-E16 PolarHBondContact O-N 3.36Å
13D91.4Very high79.8Confident17 Ų1784 Ų849%0.09141%0.407CS..Hα-helixtrans-56.8-43.2174.8-64.7-33.4000110.9M9 H10 E16 Y17 Y45 K46M9-D13 HydrophobicContact CG-CB 3.93Å; H10-D13 PolarHBondContact N-OD2 2.8Å; H10-D13 WeakPolarHBondContact O-CB 3.3Å; H10-D13 PolarHBondContact O-N 3.2Å; D13-E16 WeakPolarHBondContact O-CB 3.46Å; D13-E16 PolarHBondContact O-N 3.26Å; D13-Y17 HydrophobicContact CB-CD2 4.29Å; D13-Y17 HydrophobicContact CB-CE2 3.9Å; D13-Y17 WeakPolarHBondContact O-CD2 3.36Å; D13-Y17 VanDerWaalsContact O-CG 3.31Å; D13-Y17 PolarHBondContact O-N 3.05Å; D13-Y45 WeakPolarHBondContact CB-OH 3.43Å; D13-Y45 VanDerWaalsContact CG-OH 3.24Å; D13-Y45 PolarHBondContact OD2-OH 3.3Å; D13-K46 IonicContact OD1-NZ 3.74Å; D13-K46 PolarHBondContact OD1-NZ 3.26Å; D13-K46 IonicContact OD2-NZ 2.82Å
14L92.3Very high82.3Confident3 Ų379.6 Ų79.62%0.01639%0.39CS..Hα-helixtrans-68.2-37.5-177.4-176.448.5000112.6M9 H10 W11 E12 Q18 R25 I28 L29M9-L14 HydrophobicContact CG-CB 4.34Å; M9-L14 HydrophobicContact SD-CB 3.88Å; M9-L14 HydrophobicContact SD-CD1 3.98Å; M9-L14 HydrophobicContact SD-CD2 4.48Å; M9-L14 HydrophobicContact SD-CG 4.34Å; H10-L14 PolarHBondContact O-N 3.35Å; W11-L14 PolarHBondContact O-N 2.9Å; E12-L14 VanDerWaalsContact C-N 3.25Å; E12-L14 PolarHBondContact O-N 3.01Å; L14-Q18 VanDerWaalsContact O-CB 3.27Å; L14-Q18 WeakPolarHBondContact O-CB 3.16Å; L14-Q18 PolarHBondContact O-N 2.88Å; L14-R25 HydrophobicContact CD1-CG 4.03Å; L14-R25 HydrophobicContact CD2-CG 3.7Å; L14-R25 HydrophobicContact CG-CG 3.91Å; L14-I28 HydrophobicContact CD1-CB 3.7Å; L14-I28 HydrophobicContact CD1-CD1 4Å; L14-I28 HydrophobicContact CD1-CG1 4.46Å; L14-I28 HydrophobicContact CD1-CG2 3.45Å; L14-I28 VanDerWaalsContact CD1-CG2 3.45Å; L14-L29 HydrophobicContact CD2-CD1 4.23Å; L14-L29 HydrophobicContact CD2-CD2 3.83Å; L14-L29 HydrophobicContact CD2-CG 3.99Å
15E93.3Very high84.8Confident102 Ų10281 Ų8148%0.47739%0.385SS..Hα-helixtrans-67-40.3172.6-75176.7-173.400111.4W11 E12 Q18 A19W11-E15 WeakPolarHBondContact O-CG 3.22Å; W11-E15 PolarHBondContact O-N 2.9Å; E12-E15 PolarHBondContact O-N 3.37Å; E15-Q18 PolarHBondContact O-N 3Å; E15-A19 WeakPolarHBondContact O-CB 3.29Å; E15-A19 PolarHBondContact O-N 2.82Å
16E94.9Very high87.1Confident106 Ų10678.9 Ų78.950%0.49537%0.374SS..Hα-helixtrans-61.6-52.1174.8-177.8177-166.300111.3E12 D13 Q18 A19 L20E12-E16 WeakPolarHBondContact O-CB 3.3Å; E12-E16 PolarHBondContact O-N 3.36Å; D13-E16 WeakPolarHBondContact O-CB 3.46Å; D13-E16 PolarHBondContact O-N 3.26Å; E16-Q18 VanDerWaalsContact C-N 3.28Å; E16-Q18 PolarHBondContact O-N 3.21Å; E16-A19 WeakPolarHBondContact O-CB 3.46Å; E16-A19 PolarHBondContact O-N 3.36Å; E16-L20 HydrophobicContact CG-CD1 3.78Å; E16-L20 HydrophobicContact CG-CG 4.44Å; E16-L20 WeakPolarHBondContact O-CG 3.06Å; E16-L20 PolarHBondContact O-N 3.24Å
17Y95.8Very high89.1Confident14 Ų1472.3 Ų72.36%0.05535%0.352CS..Hα-helixtrans-61.5-37.1177.8-65.8-49000112.2M9 D13 A19 L20 T21 I28 Y45 K46 F82 E83 L86M9-Y17 HydrophobicContact CE-CD2 4.05Å; M9-Y17 HydrophobicContact CE-CE2 3.92Å; M9-Y17 HydrophobicContact SD-CD2 4.21Å; M9-Y17 HydrophobicContact SD-CE2 4.45Å; D13-Y17 HydrophobicContact CB-CD2 4.29Å; D13-Y17 HydrophobicContact CB-CE2 3.9Å; D13-Y17 WeakPolarHBondContact O-CD2 3.36Å; D13-Y17 VanDerWaalsContact O-CG 3.31Å; D13-Y17 PolarHBondContact O-N 3.05Å; Y17-A19 VanDerWaalsContact C-N 3.29Å; Y17-A19 PolarHBondContact O-N 2.95Å; Y17-L20 PolarHBondContact O-N 3.3Å; Y17-T21 WeakPolarHBondContact O-CB 3.43Å; Y17-T21 WeakPolarHBondContact O-CG2 3.43Å; Y17-T21 PolarHBondContact O-N 2.89Å; Y17-T21 PolarHBondContact O-OG1 2.65Å; Y17-I28 HydrophobicContact CD2-CG2 4.49Å; Y17-Y45 HydrophobicContact CE2-CE2 4.16Å; Y17-K46 WeakPolarHBondContact OH-CE 3.27Å; Y17-F82 HydrophobicContact CD2-CE1 4.09Å; Y17-F82 HydrophobicContact CE2-CD1 4.18Å; Y17-F82 AromaticContact CE2-CE1 3.68Å; Y17-F82 HydrophobicContact CE2-CE1 3.68Å; Y17-F82 AromaticContact CZ-CE1 3.96Å; Y17-E83 HydrophobicContact CE1-CG 4.09Å; Y17-E83 PolarHBondContact OH-OE1 3.38Å; Y17-L86 HydrophobicContact CD1-CD1 3.48Å; Y17-L86 VanDerWaalsContact CD1-CD1 3.48Å; Y17-L86 HydrophobicContact CD2-CD1 4.01Å; Y17-L86 HydrophobicContact CE1-CD1 3.9Å; Y17-L86 HydrophobicContact CE2-CD1 4.38Å; Y17-L86 HydrophobicContact CG-CD1 3.56Å
18Q94.1Very high91Very high92 Ų9269.9 Ų69.943%0.4334%0.342SS..Hα-helixtrans-66.2-32.7175.2-173.3174.320.300112.2L14 E15 E16 I28L14-Q18 VanDerWaalsContact O-CB 3.27Å; L14-Q18 WeakPolarHBondContact O-CB 3.16Å; L14-Q18 PolarHBondContact O-N 2.88Å; E15-Q18 PolarHBondContact O-N 3Å; E16-Q18 VanDerWaalsContact C-N 3.28Å; E16-Q18 PolarHBondContact O-N 3.21Å; Q18-I28 HydrophobicContact CB-CD1 4.03Å
19A94.8Very high91.9Very high86 Ų8665.6 Ų65.671%0.71132%0.324SS*.Hα-helixtrans-76.1-27.8176.100000113.1E15 E16 Y17E15-A19 WeakPolarHBondContact O-CB 3.29Å; E15-A19 PolarHBondContact O-N 2.82Å; E16-A19 WeakPolarHBondContact O-CB 3.46Å; E16-A19 PolarHBondContact O-N 3.36Å; Y17-A19 VanDerWaalsContact C-N 3.29Å; Y17-A19 PolarHBondContact O-N 2.95Å
20L95Very high92.3Very high123 Ų12366.3 Ų66.364%0.64433%0.33SS*.Hα-helixtrans-95.1-9.8-176.8-64.8176.4000114.2E16 Y17E16-L20 HydrophobicContact CG-CD1 3.78Å; E16-L20 HydrophobicContact CG-CG 4.44Å; E16-L20 WeakPolarHBondContact O-CG 3.06Å; E16-L20 PolarHBondContact O-N 3.24Å; Y17-L20 PolarHBondContact O-N 3.3Å
21T95.3Very high92.6Very high22 Ų2262.1 Ų62.114%0.13531%0.31CS..SBendtrans-128.7163.7-175.767.60000112.2Y17 L23 L86 S90Y17-T21 WeakPolarHBondContact O-CB 3.43Å; Y17-T21 WeakPolarHBondContact O-CG2 3.43Å; Y17-T21 PolarHBondContact O-N 2.89Å; Y17-T21 PolarHBondContact O-OG1 2.65Å; T21-L23 PolarHBondContact O-N 3.19Å; T21-L23 WeakPolarHBondContact OG1-CB 3.27Å; T21-L23 PolarHBondContact OG1-N 2.95Å; T21-L86 HydrophobicContact CG2-CB 4.47Å; T21-S90 WeakPolarHBondContact CA-OG 2.95Å; T21-S90 WeakPolarHBondContact CB-OG 3.25Å
22F94.1Very high92.9Very high73 Ų7355.5 Ų55.532%0.3229%0.285SS..SBendtrans-88.132.8172.5-61-79.4000112.1S90 S93 Q95 A96 L100F22-S90 WeakPolarHBondContact CD2-OG 3.29Å; F22-S90 PolarHBondContact N-OG 3.31Å; F22-S93 PolarHBondContact O-OG 3.01Å; F22-Q95 HydrophobicContact CB-CB 4.13Å; F22-Q95 VanDerWaalsContact CD1-O 3.26Å; F22-Q95 WeakPolarHBondContact CD1-O 3.26Å; F22-A96 HydrophobicContact CB-CB 4.26Å; F22-A96 HydrophobicContact CD2-CB 3.76Å; F22-A96 HydrophobicContact CE2-CB 4.3Å; F22-A96 HydrophobicContact CG-CB 3.99Å; F22-L100 HydrophobicContact CD2-CD2 4.12Å; F22-L100 HydrophobicContact CE2-CD2 3.54Å
23L93.8Very high92.9Very high9 Ų952 Ų525%0.04727%0.27CS..  trans-114.7141.7-173.6-58.5172000110.8T21 E27 I28 I31 L86 A89T21-L23 PolarHBondContact O-N 3.19Å; T21-L23 WeakPolarHBondContact OG1-CB 3.27Å; T21-L23 PolarHBondContact OG1-N 2.95Å; L23-E27 HydrophobicContact CB-CB 4.31Å; L23-E27 HydrophobicContact CD2-CB 4.38Å; L23-I28 HydrophobicContact CB-CD1 4.25Å; L23-I28 HydrophobicContact CB-CG1 3.8Å; L23-I28 HydrophobicContact CD1-CG1 4.28Å; L23-I31 HydrophobicContact CD1-CD1 3.67Å; L23-L86 HydrophobicContact CD1-CD2 3.88Å; L23-A89 HydrophobicContact CD1-CB 4.09Å; L23-A89 HydrophobicContact CD2-CB 4.27Å
24T92.9Very high92.8Very high51 Ų5152.5 Ų52.531%0.31328%0.275SS..  trans-73.7159170.266.80000110.9N26 E27 I28T24-N26 PolarHBondContact O-N 3.48Å; T24-N26 VanDerWaalsContact O-N 3.15Å; T24-E27 VanDerWaalsContact CB-OE2 3.3Å; T24-E27 WeakPolarHBondContact CB-OE2 3.39Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.36Å; T24-E27 PolarHBondContact N-OE2 3.38Å; T24-E27 PolarHBondContact O-N 2.85Å; T24-E27 VanDerWaalsContact O-N 3.1Å; T24-E27 WeakPolarHBondContact OG1-CG 3.31Å; T24-E27 PolarHBondContact OG1-N 3.48Å; T24-E27 PolarHBondContact OG1-OE2 2.88Å; T24-I28 WeakPolarHBondContact O-CG1 3.4Å; T24-I28 PolarHBondContact O-N 3.28Å
25R91.9Very high92.8Very high105 Ų10552.5 Ų52.540%0.39628%0.275SS..Hα-helixtrans-50.1-40.2173-172.5-176.817589.81.3113L14 L29L14-R25 HydrophobicContact CD1-CG 4.03Å; L14-R25 HydrophobicContact CD2-CG 3.7Å; L14-R25 HydrophobicContact CG-CG 3.91Å; R25-L29 HydrophobicContact CG-CD1 4.27Å; R25-L29 VanDerWaalsContact O-CG 3.31Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.47Å; R25-L29 VanDerWaalsContact O-N 3.12Å
26N91.2Very high92.6Very high120 Ų12049.9 Ų49.964%0.64226%0.264SS*.Hα-helixtrans-70-40.8-178.4-71.3-16000111.6T24 L29 C30T24-N26 PolarHBondContact O-N 3.48Å; T24-N26 VanDerWaalsContact O-N 3.15Å; N26-L29 PolarHBondContact O-N 2.89Å; N26-C30 VanDerWaalsContact O-CB 3.29Å; N26-C30 WeakPolarHBondContact O-CB 3.44Å; N26-C30 PolarHBondContact O-N 3.29Å
27E92.2Very high92.3Very high59 Ų5951.9 Ų51.928%0.27627%0.271SS..Hα-helixtrans-62.7-45.4176-71.8163.6126.200111L23 T24 L29 C30 I31L23-E27 HydrophobicContact CB-CB 4.31Å; L23-E27 HydrophobicContact CD2-CB 4.38Å; T24-E27 VanDerWaalsContact CB-OE2 3.3Å; T24-E27 WeakPolarHBondContact CB-OE2 3.39Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.36Å; T24-E27 PolarHBondContact N-OE2 3.38Å; T24-E27 PolarHBondContact O-N 2.85Å; T24-E27 VanDerWaalsContact O-N 3.1Å; T24-E27 WeakPolarHBondContact OG1-CG 3.31Å; T24-E27 PolarHBondContact OG1-N 3.48Å; T24-E27 PolarHBondContact OG1-OE2 2.88Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 3.49Å; E27-C30 WeakPolarHBondContact O-CB 3.38Å; E27-C30 PolarHBondContact O-N 3.47Å; E27-C30 VanDerWaalsContact O-N 3.15Å; E27-I31 WeakPolarHBondContact O-CD1 3.39Å; E27-I31 WeakPolarHBondContact O-CG1 3.38Å; E27-I31 PolarHBondContact O-N 3.16Å
28I93.2Very high92Very high0 Ų053.5 Ų53.50%028%0.28CS..Hα-helixtrans-59.5-45177.7-62.8164.7000111.2M9 L14 Y17 Q18 L23 T24 C30 I31 H32 F82 L86M9-I28 HydrophobicContact CE-CG2 4.2Å; M9-I28 HydrophobicContact SD-CG2 4.07Å; L14-I28 HydrophobicContact CD1-CB 3.7Å; L14-I28 HydrophobicContact CD1-CD1 4Å; L14-I28 HydrophobicContact CD1-CG1 4.46Å; L14-I28 HydrophobicContact CD1-CG2 3.45Å; L14-I28 VanDerWaalsContact CD1-CG2 3.45Å; Y17-I28 HydrophobicContact CD2-CG2 4.49Å; Q18-I28 HydrophobicContact CB-CD1 4.03Å; L23-I28 HydrophobicContact CB-CD1 4.25Å; L23-I28 HydrophobicContact CB-CG1 3.8Å; L23-I28 HydrophobicContact CD1-CG1 4.28Å; T24-I28 WeakPolarHBondContact O-CG1 3.4Å; T24-I28 PolarHBondContact O-N 3.28Å; I28-C30 VanDerWaalsContact C-N 3.32Å; I28-C30 PolarHBondContact O-N 3.13Å; I28-I31 PolarHBondContact O-N 3.15Å; I28-H32 WeakPolarHBondContact O-CB 3.43Å; I28-H32 PolarHBondContact O-N 3.33Å; I28-F82 HydrophobicContact CG2-CZ 4.49Å; I28-L86 HydrophobicContact CB-CD2 4.5Å; I28-L86 HydrophobicContact CG1-CD2 4.24Å; I28-L86 HydrophobicContact CG2-CD2 4.17Å
29L91.7Very high91.7Very high34 Ų3449.7 Ų49.718%0.17826%0.264CS..Hα-helixtrans-64.4-36.9177.3-72.4172.6000112.6Y7 L14 R25 N26 E27 H32 D33Y7-L29 HydrophobicContact CD2-CD2 4.44Å; Y7-L29 HydrophobicContact CG-CD2 4.34Å; L14-L29 HydrophobicContact CD2-CD1 4.23Å; L14-L29 HydrophobicContact CD2-CD2 3.83Å; L14-L29 HydrophobicContact CD2-CG 3.99Å; R25-L29 HydrophobicContact CG-CD1 4.27Å; R25-L29 VanDerWaalsContact O-CG 3.31Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.47Å; R25-L29 VanDerWaalsContact O-N 3.12Å; N26-L29 PolarHBondContact O-N 2.89Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 3.49Å; L29-H32 PolarHBondContact O-N 3.35Å; L29-D33 PolarHBondContact O-N 3.32Å
30C91.1Very high91Very high31 Ų3149.4 Ų49.421%0.20926%0.255CS..Hα-helixtrans-69.8-38.3177.6-164.60000111.7N26 E27 I28 S34 C185N26-C30 VanDerWaalsContact O-CB 3.29Å; N26-C30 WeakPolarHBondContact O-CB 3.44Å; N26-C30 PolarHBondContact O-N 3.29Å; E27-C30 WeakPolarHBondContact O-CB 3.38Å; E27-C30 PolarHBondContact O-N 3.47Å; E27-C30 VanDerWaalsContact O-N 3.15Å; I28-C30 VanDerWaalsContact C-N 3.32Å; I28-C30 PolarHBondContact O-N 3.13Å; C30-S34 WeakPolarHBondContact O-CB 3.27Å; C30-S34 PolarHBondContact O-N 2.77Å; C30-S34 PolarHBondContact O-OG 3.03Å; C30-C185 HydrophobicContact CB-CB 4.17Å; C30-C185 WeakPolarHBondContact CB-SG 3.32Å; C30-C185 WeakPolarHBondContact SG-CB 3.41Å; C30-C185 CovalentContact SG-SG 2.05Å; C30-C185 PolarHBondContact SG-SG 2.85Å
31I91.8Very high90.2Very high0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-62.4-48.1171.4-67.5162.4000110.2L23 E27 I28 D33 S34 F35 F82 V85 L86 A89 W183L23-I31 HydrophobicContact CD1-CD1 3.67Å; E27-I31 WeakPolarHBondContact O-CD1 3.39Å; E27-I31 WeakPolarHBondContact O-CG1 3.38Å; E27-I31 PolarHBondContact O-N 3.16Å; I28-I31 PolarHBondContact O-N 3.15Å; I31-D33 PolarHBondContact O-N 2.86Å; I31-S34 PolarHBondContact O-N 3.5Å; I31-F35 VanDerWaalsContact O-CB 3.31Å; I31-F35 WeakPolarHBondContact O-CB 3.46Å; I31-F35 PolarHBondContact O-N 3.15Å; I31-F82 HydrophobicContact CG2-CE2 3.88Å; I31-V85 HydrophobicContact CG2-CG1 3.74Å; I31-L86 HydrophobicContact CB-CD2 4.21Å; I31-L86 HydrophobicContact CD1-CD2 3.73Å; I31-L86 HydrophobicContact CG2-CD2 3.95Å; I31-A89 HydrophobicContact CD1-CB 3.67Å; I31-W183 HydrophobicContact CB-CZ2 4.5Å; I31-W183 VanDerWaalsContact CG1-CD1 3.46Å; I31-W183 HydrophobicContact CG1-CD2 3.88Å; I31-W183 HydrophobicContact CG1-CG 3.95Å; I31-W183 HydrophobicContact CG1-CZ2 3.89Å; I31-W183 HydrophobicContact CG2-CZ2 4.21Å
32H91.2Very high89.3Confident0 Ų052.9 Ų52.90%030%0.301CS..Hα-helixtrans-59.7-44.8179.5174.8-93.7000112.4Y7 M9 I28 L29 S34 F35 L36 Y45 F82Y7-H32 AromaticContact CD1-ND1 3.92Å; M9-H32 HydrophobicContact CE-CB 3.99Å; I28-H32 WeakPolarHBondContact O-CB 3.43Å; I28-H32 PolarHBondContact O-N 3.33Å; L29-H32 PolarHBondContact O-N 3.35Å; H32-S34 PolarHBondContact O-N 3.29Å; H32-F35 PolarHBondContact O-N 3Å; H32-L36 WeakPolarHBondContact CE1-CD1 3.36Å; H32-L36 WeakPolarHBondContact O-CG 3.45Å; H32-L36 PolarHBondContact O-N 2.96Å; H32-Y45 AromaticContact CD2-CD1 3.86Å; H32-Y45 AromaticContact CD2-CG 3.74Å; H32-Y45 AromaticContact NE2-CD1 3.44Å; H32-Y45 WeakPolarHBondContact NE2-CD1 3.48Å; H32-Y45 AromaticContact NE2-CG 3.71Å; H32-F82 HydrophobicContact CB-CE2 3.82Å; H32-F82 HydrophobicContact CB-CZ 3.88Å
33D89.8Confident88.6Confident45 Ų4554.5 Ų54.524%0.24131%0.308CS..Hα-helixtrans-61.3-43.6174.8-170.162.7000112.1Y7 L29 I31 K37Y7-D33 HydrophobicContact CE1-CB 3.95Å; L29-D33 PolarHBondContact O-N 3.32Å; I31-D33 PolarHBondContact O-N 2.86Å; D33-K37 WeakPolarHBondContact O-CG 3.22Å; D33-K37 PolarHBondContact O-N 2.87Å; D33-K37 VanDerWaalsContact O-N 3.14Å; D33-K37 WeakPolarHBondContact OD2-CE 3.33Å; D33-K37 IonicContact OD2-NZ 2.72Å; D33-K37 PolarHBondContact OD2-NZ 3.47Å
34S88.9Confident88.2Confident27 Ų2757.5 Ų57.519%0.18932%0.319CS..Hα-helixtrans-64.7-42.8177.9-60.60000112.3C30 I31 H32 K37 L38 W183C30-S34 WeakPolarHBondContact O-CB 3.27Å; C30-S34 PolarHBondContact O-N 2.77Å; C30-S34 PolarHBondContact O-OG 3.03Å; I31-S34 PolarHBondContact O-N 3.5Å; H32-S34 PolarHBondContact O-N 3.29Å; S34-K37 PolarHBondContact O-N 3.45Å; S34-L38 PolarHBondContact O-N 3.15Å; S34-W183 VanDerWaalsContact CB-CZ3 3.41Å
35F91.1Very high88Confident3 Ų355 Ų551%0.01330%0.304CS..Hα-helixtrans-60.8-49.7177.9-174.7-94.1000110.8I31 H32 K37 L38 C39 A48 L50 F82 V85I31-F35 VanDerWaalsContact O-CB 3.31Å; I31-F35 WeakPolarHBondContact O-CB 3.46Å; I31-F35 PolarHBondContact O-N 3.15Å; H32-F35 PolarHBondContact O-N 3Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 2.97Å; F35-L38 PolarHBondContact O-N 3.39Å; F35-C39 VanDerWaalsContact CE1-SG 3.54Å; F35-C39 PolarHBondContact O-N 2.96Å; F35-C39 VanDerWaalsContact O-N 3.08Å; F35-C39 PolarHBondContact O-SG 3.45Å; F35-A48 HydrophobicContact CE1-CB 3.99Å; F35-L50 HydrophobicContact CD2-CD1 3.49Å; F35-L50 VanDerWaalsContact CD2-CD1 3.49Å; F35-L50 HydrophobicContact CD2-CG 3.94Å; F35-L50 HydrophobicContact CE2-CD1 3.69Å; F35-L50 HydrophobicContact CE2-CG 3.64Å; F35-L50 HydrophobicContact CG-CD1 4.32Å; F35-L50 HydrophobicContact CZ-CG 4.23Å; F35-F82 HydrophobicContact CB-CD2 4.09Å; F35-F82 HydrophobicContact CB-CE2 4.45Å; F35-F82 HydrophobicContact CD1-CB 4.4Å; F35-F82 HydrophobicContact CD1-CD2 4.05Å; F35-F82 HydrophobicContact CD2-CD2 4.21Å; F35-F82 HydrophobicContact CE1-CB 4.05Å; F35-F82 HydrophobicContact CE2-CB 4.3Å; F35-F82 AromaticContact CG-CD2 3.87Å; F35-F82 HydrophobicContact CG-CD2 3.87Å; F35-F82 HydrophobicContact CZ-CB 4Å; F35-V85 HydrophobicContact CD2-CB 4.49Å; F35-V85 HydrophobicContact CD2-CG2 3.99Å; F35-V85 HydrophobicContact CE2-CG2 4.08Å
36L90Very high87.9Confident47 Ų4753.9 Ų53.925%0.24630%0.302CS..Hα-helixtrans-62.8-32178.7-72.7-177.9000113.5H32 L38 C39H32-L36 WeakPolarHBondContact CE1-CD1 3.36Å; H32-L36 WeakPolarHBondContact O-CG 3.45Å; H32-L36 PolarHBondContact O-N 2.96Å; L36-L38 VanDerWaalsContact C-N 3.26Å; L36-L38 PolarHBondContact O-N 3.43Å; L36-C39 PolarHBondContact O-N 3.49Å
37K89.1Confident87.7Confident148 Ų14855.3 Ų55.364%0.64330%0.304SS*.Hα-helixtrans-66.2-27.8174.2-76.5165.5175.51640113.2D33 S34 F35D33-K37 WeakPolarHBondContact O-CG 3.22Å; D33-K37 PolarHBondContact O-N 2.87Å; D33-K37 VanDerWaalsContact O-N 3.14Å; D33-K37 WeakPolarHBondContact OD2-CE 3.33Å; D33-K37 IonicContact OD2-NZ 2.72Å; D33-K37 PolarHBondContact OD2-NZ 3.47Å; S34-K37 PolarHBondContact O-N 3.45Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 2.97Å
38L89.7Confident87.7Confident49 Ų4952.6 Ų52.626%0.25729%0.292SS..Hα-helixtrans-87.1-24177.4-65.4173.6000111.9S34 F35 L36 L50 Q54 L58S34-L38 PolarHBondContact O-N 3.15Å; F35-L38 PolarHBondContact O-N 3.39Å; L36-L38 VanDerWaalsContact C-N 3.26Å; L36-L38 PolarHBondContact O-N 3.43Å; L38-L50 HydrophobicContact CB-CD1 3.96Å; L38-L50 HydrophobicContact CB-CD2 3.46Å; L38-L50 VanDerWaalsContact CB-CD2 3.46Å; L38-L50 HydrophobicContact CB-CG 4.37Å; L38-L50 HydrophobicContact CD1-CD1 3.75Å; L38-Q54 PolarHBondContact O-NE2 3.34Å; L38-L58 HydrophobicContact CD1-CD2 3.92Å
39C86.7Confident87.7Confident11 Ų1156.1 Ų56.17%0.07431%0.314CS..SBendtrans-77.5152.4175.4-62.30000112.5F35 L36 A48 L50F35-C39 VanDerWaalsContact CE1-SG 3.54Å; F35-C39 PolarHBondContact O-N 2.96Å; F35-C39 VanDerWaalsContact O-N 3.08Å; F35-C39 PolarHBondContact O-SG 3.45Å; L36-C39 PolarHBondContact O-N 3.49Å; C39-A48 HydrophobicContact CB-CB 4.22Å; C39-A48 VanDerWaalsContact SG-CB 3.6Å; C39-L50 VanDerWaalsContact SG-CD2 3.59Å
40P80Confident87.8Confident81 Ų8154.6 Ų54.653%0.52631%0.306SS..PPolyproline II helixtrans-56.4142.2164.7-22.733.4000111.2
41P77.7Confident88Confident131 Ų13156.1 Ų56.185%0.85131%0.314SS*.THydrogen-bonded Turntrans-63.7146-175.826.6-34.8000112
42G77.8Confident88.2Confident87 Ų8757.9 Ų57.990%0.89733%0.325SS*.THydrogen-bonded Turntrans89.5-0.4171.600000115.8
43K78.5Confident88.4Confident106 Ų10663.9 Ų63.946%0.46136%0.357SS..  trans-85140.5170.2-69.2-165.6173.8-1690111.4A48K43-A48 HydrophobicContact CB-CB 4.11Å; K43-A48 HydrophobicContact CD-CB 4.35Å
44Y86.3Confident88.6Confident72 Ų7264.4 Ų64.428%0.28236%0.358SS..  trans-68.4139.5167.1-178.8-126.9000109.7K46 E47 A48Y44-K46 VanDerWaalsContact C-N 3.3Å; Y44-K46 HydrophobicContact CD1-CB 3.88Å; Y44-K46 HydrophobicContact CD1-CG 4.3Å; Y44-K46 HydrophobicContact CE1-CB 3.54Å; Y44-K46 HydrophobicContact CE1-CD 3.83Å; Y44-K46 HydrophobicContact CE1-CG 3.54Å; Y44-K46 PolarHBondContact O-N 3.47Å; Y44-K46 WeakPolarHBondContact OH-CE 3.47Å; Y44-E47 HydrophobicContact CD1-CG 4.35Å; Y44-E47 PolarHBondContact O-N 3.5Å; Y44-A48 PolarHBondContact O-N 3.05Å
45Y87.6Confident88.8Confident0 Ų063.1 Ų63.10%035%0.349CS..G310 helixtrans-61.6-35.8-169.774-89.5000113Q8 M9 D13 Y17 H32 E47 A48 F82Q8-Y45 WeakPolarHBondContact O-CE1 3.45Å; M9-Y45 HydrophobicContact CB-CE1 4.29Å; M9-Y45 HydrophobicContact CE-CE2 4.12Å; M9-Y45 HydrophobicContact CG-CE1 4.48Å; D13-Y45 WeakPolarHBondContact CB-OH 3.43Å; D13-Y45 VanDerWaalsContact CG-OH 3.24Å; D13-Y45 PolarHBondContact OD2-OH 3.3Å; Y17-Y45 HydrophobicContact CE2-CE2 4.16Å; H32-Y45 AromaticContact CD2-CD1 3.86Å; H32-Y45 AromaticContact CD2-CG 3.74Å; H32-Y45 AromaticContact NE2-CD1 3.44Å; H32-Y45 WeakPolarHBondContact NE2-CD1 3.48Å; H32-Y45 AromaticContact NE2-CG 3.71Å; Y45-E47 PolarHBondContact O-N 2.96Å; Y45-A48 PolarHBondContact O-N 2.95Å; Y45-F82 HydrophobicContact CD2-CB 3.82Å; Y45-F82 AromaticContact CD2-CD1 3.39Å; Y45-F82 HydrophobicContact CD2-CD1 3.39Å; Y45-F82 HydrophobicContact CD2-CD2 4.26Å; Y45-F82 AromaticContact CD2-CE1 3.98Å; Y45-F82 HydrophobicContact CD2-CE1 3.98Å; Y45-F82 AromaticContact CD2-CG 3.54Å; Y45-F82 HydrophobicContact CD2-CG 3.54Å; Y45-F82 HydrophobicContact CE2-CB 4.5Å; Y45-F82 AromaticContact CE2-CD1 3.36Å; Y45-F82 HydrophobicContact CE2-CD1 3.36Å; Y45-F82 AromaticContact CE2-CE1 3.73Å; Y45-F82 HydrophobicContact CE2-CE1 3.73Å; Y45-F82 HydrophobicContact CE2-CG 4.03Å
46K89.4Confident88.9Confident80 Ų8064.1 Ų64.135%0.34836%0.357SS..G310 helixtrans-69.2-15.1177.9-58-165.7-177.2-172.70114.1D13 Y17 Y44D13-K46 IonicContact OD1-NZ 3.74Å; D13-K46 PolarHBondContact OD1-NZ 3.26Å; D13-K46 IonicContact OD2-NZ 2.82Å; Y17-K46 WeakPolarHBondContact OH-CE 3.27Å; Y44-K46 VanDerWaalsContact C-N 3.3Å; Y44-K46 HydrophobicContact CD1-CB 3.88Å; Y44-K46 HydrophobicContact CD1-CG 4.3Å; Y44-K46 HydrophobicContact CE1-CB 3.54Å; Y44-K46 HydrophobicContact CE1-CD 3.83Å; Y44-K46 HydrophobicContact CE1-CG 3.54Å; Y44-K46 PolarHBondContact O-N 3.47Å; Y44-K46 WeakPolarHBondContact OH-CE 3.47Å
47E88.5Confident89Confident150 Ų15064.1 Ų64.170%0.70136%0.36SS*.G310 helixtrans-105.5-5.5177.8-62.7177.9173.500112.4Y44 Y45Y44-E47 HydrophobicContact CD1-CG 4.35Å; Y44-E47 PolarHBondContact O-N 3.5Å; Y45-E47 PolarHBondContact O-N 2.96Å
48A91Very high89.1Confident3 Ų357.9 Ų57.93%0.02533%0.334CS..  trans-94.5150.2-179.200000110.5F35 C39 K43 Y44 Y45F35-A48 HydrophobicContact CE1-CB 3.99Å; C39-A48 HydrophobicContact CB-CB 4.22Å; C39-A48 VanDerWaalsContact SG-CB 3.6Å; K43-A48 HydrophobicContact CB-CB 4.11Å; K43-A48 HydrophobicContact CD-CB 4.35Å; Y44-A48 PolarHBondContact O-N 3.05Å; Y45-A48 PolarHBondContact O-N 2.95Å
49T93.8Very high89.1Confident73 Ų7360.5 Ų60.545%0.44835%0.354SS..  trans-135.3147.9177.658.20000109.5V79 F80T49-V79 HydrophobicContact CG2-CG2 4.42Å; T49-F80 CarbonylContact C-O 3.56Å; T49-F80 WeakPolarHBondContact CA-O 3.38Å
50L94.2Very high89.1Confident3 Ų361 Ų612%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-105.3145.6171.1-60.1-179.9000110.4F35 L38 C39 Q54 V55 V79 F80F35-L50 HydrophobicContact CD2-CD1 3.49Å; F35-L50 VanDerWaalsContact CD2-CD1 3.49Å; F35-L50 HydrophobicContact CD2-CG 3.94Å; F35-L50 HydrophobicContact CE2-CD1 3.69Å; F35-L50 HydrophobicContact CE2-CG 3.64Å; F35-L50 HydrophobicContact CG-CD1 4.32Å; F35-L50 HydrophobicContact CZ-CG 4.23Å; L38-L50 HydrophobicContact CB-CD1 3.96Å; L38-L50 HydrophobicContact CB-CD2 3.46Å; L38-L50 VanDerWaalsContact CB-CD2 3.46Å; L38-L50 HydrophobicContact CB-CG 4.37Å; L38-L50 HydrophobicContact CD1-CD1 3.75Å; C39-L50 VanDerWaalsContact SG-CD2 3.59Å; L50-Q54 HydrophobicContact CB-CB 4.22Å; L50-V55 HydrophobicContact CB-CG2 3.84Å; L50-V55 HydrophobicContact CD1-CG2 4.07Å; L50-V79 CarbonylContact O-C 3.51Å; L50-V79 VanDerWaalsContact O-CA 3.27Å; L50-V79 WeakPolarHBondContact O-CA 3.41Å; L50-F80 HydrophobicContact CB-CB 4.31Å; L50-F80 PolarHBondContact N-O 2.96Å; L50-F80 PolarHBondContact O-N 2.88Å
51T95.5Very high89.6Confident62 Ų6257.1 Ų57.138%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-75.5159.7169.968.50000110.7D53 Q54 V55T51-D53 PolarHBondContact O-N 3.23Å; T51-Q54 WeakPolarHBondContact O-CB 3.43Å; T51-Q54 PolarHBondContact O-N 2.82Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.49Å; T51-Q54 PolarHBondContact OG1-N 3.25Å; T51-V55 PolarHBondContact O-N 3.33Å; T51-V55 VanDerWaalsContact O-N 3.14Å
52V95.6Very high90.3Very high38 Ų3858.2 Ų58.223%0.2332%0.321CS..Hα-helixtrans-52.8-38.1170.6167.50000111.8Q54 V55 S56 C71 N78 F80V52-Q54 PolarHBondContact O-N 2.83Å; V52-V55 PolarHBondContact O-N 3.43Å; V52-S56 VanDerWaalsContact O-CB 3.24Å; V52-S56 WeakPolarHBondContact O-CB 3.3Å; V52-S56 PolarHBondContact O-N 2.95Å; V52-S56 PolarHBondContact O-OG 2.99Å; V52-C71 HydrophobicContact CG1-CB 3.74Å; V52-C71 HydrophobicContact CG2-CB 4.4Å; V52-N78 HydrophobicContact CG2-CB 4.23Å; V52-N78 WeakPolarHBondContact CG2-O 3.44Å; V52-F80 HydrophobicContact CG2-CE2 4.03Å
53D94.6Very high90.9Very high125 Ų12560.1 Ų60.167%0.66832%0.315SS*.Hα-helixtrans-63.8-40.2177.7-66.1-27.4000112.2T51 S56 S57T51-D53 PolarHBondContact O-N 3.23Å; D53-S56 WeakPolarHBondContact CA-OG 3.3Å; D53-S56 PolarHBondContact O-OG 2.97Å; D53-S56 VanDerWaalsContact O-OG 3.14Å; D53-S57 VanDerWaalsContact O-CB 3.29Å; D53-S57 WeakPolarHBondContact O-CB 3.36Å; D53-S57 PolarHBondContact O-N 2.97Å; D53-S57 VanDerWaalsContact O-N 3.08Å
54Q93.9Very high91.5Very high56 Ų5656.7 Ų56.726%0.26230%0.301SS..Hα-helixtrans-65.3-44.7177.6-69.8175.5-61.400111.2L38 L50 T51 V52 S57L38-Q54 PolarHBondContact O-NE2 3.34Å; L50-Q54 HydrophobicContact CB-CB 4.22Å; T51-Q54 WeakPolarHBondContact O-CB 3.43Å; T51-Q54 PolarHBondContact O-N 2.82Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.49Å; T51-Q54 PolarHBondContact OG1-N 3.25Å; V52-Q54 PolarHBondContact O-N 2.83Å; Q54-S57 PolarHBondContact O-N 3.24Å; Q54-S57 PolarHBondContact O-OG 3.48Å
55V94Very high91.8Very high1 Ų155.6 Ų55.61%0.00630%0.303CS..Hα-helixtrans-70.5-44.8-179.8177.60000111.7L50 T51 V52 S57 L58 L61 F80 M88L50-V55 HydrophobicContact CB-CG2 3.84Å; L50-V55 HydrophobicContact CD1-CG2 4.07Å; T51-V55 PolarHBondContact O-N 3.33Å; T51-V55 VanDerWaalsContact O-N 3.14Å; V52-V55 PolarHBondContact O-N 3.43Å; V55-S57 PolarHBondContact O-N 3.37Å; V55-L58 HydrophobicContact CG1-CD1 4.18Å; V55-L58 WeakPolarHBondContact O-CB 3.23Å; V55-L58 WeakPolarHBondContact O-CD1 3.33Å; V55-L58 WeakPolarHBondContact O-CG 3.39Å; V55-L58 PolarHBondContact O-N 3.37Å; V55-L61 HydrophobicContact CG1-CD1 3.81Å; V55-F80 HydrophobicContact CB-CD2 4.01Å; V55-F80 HydrophobicContact CB-CE2 4Å; V55-F80 HydrophobicContact CB-CG 4.47Å; V55-F80 HydrophobicContact CB-CZ 4.46Å; V55-F80 HydrophobicContact CG1-CD2 4.41Å; V55-F80 HydrophobicContact CG1-CE1 4.28Å; V55-F80 HydrophobicContact CG1-CE2 4.15Å; V55-F80 HydrophobicContact CG1-CZ 4.11Å; V55-F80 HydrophobicContact CG2-CB 3.99Å; V55-F80 HydrophobicContact CG2-CD1 4.3Å; V55-F80 HydrophobicContact CG2-CD2 3.51Å; V55-F80 HydrophobicContact CG2-CE2 4.02Å; V55-F80 HydrophobicContact CG2-CG 3.68Å; V55-M88 HydrophobicContact CG1-CE 3.79Å; V55-M88 HydrophobicContact CG1-SD 4.41Å
56S93.3Very high92.2Very high24 Ų2456.2 Ų56.217%0.16831%0.306CS..Hα-helixtrans-64-21.7176.563.10000113.4V52 D53 L58 R62V52-S56 VanDerWaalsContact O-CB 3.24Å; V52-S56 WeakPolarHBondContact O-CB 3.3Å; V52-S56 PolarHBondContact O-N 2.95Å; V52-S56 PolarHBondContact O-OG 2.99Å; D53-S56 WeakPolarHBondContact CA-OG 3.3Å; D53-S56 PolarHBondContact O-OG 2.97Å; D53-S56 VanDerWaalsContact O-OG 3.14Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.31Å; S56-R62 WeakPolarHBondContact O-CA 3.47Å
57S92Very high92.5Very high46 Ų4657.9 Ų57.932%0.32231%0.31SS..THydrogen-bonded Turntrans-74.6-13.4174.782.50000114.1D53 Q54 V55 R62D53-S57 VanDerWaalsContact O-CB 3.29Å; D53-S57 WeakPolarHBondContact O-CB 3.36Å; D53-S57 PolarHBondContact O-N 2.97Å; D53-S57 VanDerWaalsContact O-N 3.08Å; Q54-S57 PolarHBondContact O-N 3.24Å; Q54-S57 PolarHBondContact O-OG 3.48Å; V55-S57 PolarHBondContact O-N 3.37Å; S57-R62 PolarHBondContact O-NE 2.72Å; S57-R62 VanDerWaalsContact O-NE 3.15Å; S57-R62 PolarHBondContact O-NH2 2.97Å
58L90.7Very high92.8Very high18 Ų1854 Ų549%0.09429%0.294CS..SBendtrans-56135.8178.4-72.1172.6000110.3L38 V55 S56 A60 L61 R62 W183L38-L58 HydrophobicContact CD1-CD2 3.92Å; V55-L58 HydrophobicContact CG1-CD1 4.18Å; V55-L58 WeakPolarHBondContact O-CB 3.23Å; V55-L58 WeakPolarHBondContact O-CD1 3.33Å; V55-L58 WeakPolarHBondContact O-CG 3.39Å; V55-L58 PolarHBondContact O-N 3.37Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.31Å; L58-A60 PolarHBondContact O-N 2.76Å; L58-L61 PolarHBondContact O-N 3.14Å; L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.26Å; L58-W183 HydrophobicContact CD1-CH2 3.74Å; L58-W183 HydrophobicContact CD1-CZ3 4.36Å; L58-W183 HydrophobicContact CD2-CH2 4.15Å; L58-W183 HydrophobicContact CD2-CZ3 4Å
59P89Confident93Very high103 Ų10354.4 Ų54.467%0.66930%0.295SS*.Hα-helixtrans-51.6-36.9-176.9-29.535.7000114.2
60A87.6Confident93.1Very high22 Ų2251.1 Ų51.118%0.18228%0.275CS..Hα-helixtrans-73.7-23.5-179.600000114.6L58 I180 F182L58-A60 PolarHBondContact O-N 2.76Å; A60-I180 HydrophobicContact CB-CG2 3.69Å; A60-F182 HydrophobicContact CB-CB 4.4Å; A60-F182 HydrophobicContact CB-CD1 4.17Å; A60-F182 HydrophobicContact CB-CG 4.38Å
61L91.3Very high93.2Very high0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-99.7-29.7177.5-73179.7000113.1V55 L58 V63 N64 R67 I70 M88 I180 F182V55-L61 HydrophobicContact CG1-CD1 3.81Å; L58-L61 PolarHBondContact O-N 3.14Å; L61-V63 PolarHBondContact O-N 2.94Å; L61-V63 VanDerWaalsContact O-N 3.1Å; L61-N64 VanDerWaalsContact O-CB 3.3Å; L61-N64 WeakPolarHBondContact O-CB 3.05Å; L61-N64 PolarHBondContact O-N 3.4Å; L61-R67 WeakPolarHBondContact O-CB 3.43Å; L61-I70 HydrophobicContact CD2-CD1 3.94Å; L61-I70 HydrophobicContact CD2-CG2 4.03Å; L61-M88 HydrophobicContact CD1-CE 4.18Å; L61-M88 HydrophobicContact CD1-SD 4.07Å; L61-I180 HydrophobicContact CD2-CD1 3.87Å; L61-F182 HydrophobicContact CD1-CE1 3.75Å; L61-F182 HydrophobicContact CD1-CZ 4.49Å; L61-F182 HydrophobicContact CD2-CE1 3.74Å; L61-F182 HydrophobicContact CD2-CZ 3.89Å; L61-F182 HydrophobicContact CG-CD1 4.37Å; L61-F182 HydrophobicContact CG-CE1 3.53Å; L61-F182 HydrophobicContact CG-CZ 4.21Å
62R91.1Very high93.3Very high154 Ų15453.8 Ų53.858%0.58128%0.277SS*.Hα-helixtrans-55.6-36-172.1-173.2-174.8-59.8-172.3-0.8113.2S56 S57 L58S56-R62 WeakPolarHBondContact O-CA 3.47Å; S57-R62 PolarHBondContact O-NE 2.72Å; S57-R62 VanDerWaalsContact O-NE 3.15Å; S57-R62 PolarHBondContact O-NH2 2.97Å; L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.26Å
63V90.1Very high93.3Very high126 Ų12653.6 Ų53.676%0.76428%0.277SS*.THydrogen-bonded Turntrans-93.80.2-179.7-60.90000113.4L61L61-V63 PolarHBondContact O-N 2.94Å; L61-V63 VanDerWaalsContact O-N 3.1Å
64N92.2Very high93.4Very high34 Ų3448.2 Ų48.218%0.18225%0.247CC..  trans-82.1126.9-178.9-168.1-56.5000110.3L61 F66 R67L61-N64 VanDerWaalsContact O-CB 3.3Å; L61-N64 WeakPolarHBondContact O-CB 3.05Å; L61-N64 PolarHBondContact O-N 3.4Å; N64-F66 PolarHBondContact O-N 3.17Å; N64-F66 WeakPolarHBondContact OD1-CA 3.39Å; N64-F66 WeakPolarHBondContact OD1-CB 3.3Å; N64-F66 PolarHBondContact OD1-N 2.91Å; N64-R67 HydrophobicContact CB-CB 4.44Å; N64-R67 WeakPolarHBondContact O-CB 3.48Å; N64-R67 PolarHBondContact O-N 3.09Å
65P93.3Very high93.5Very high50 Ų5046.2 Ų46.233%0.32524%0.24SC..THydrogen-bonded Turntrans-68.4-13.6-179.227.9-35000113.8R128P65-R128 HydrophobicContact CB-CB 4.2Å; P65-R128 WeakPolarHBondContact CB-O 3.34Å; P65-R128 PolarHBondContact O-NH1 3.16Å
66F95Very high93.5Very high13 Ų1351.9 Ų51.96%0.05727%0.266CS..THydrogen-bonded Turntrans-10714176.5-56.8-78.4000113N64 D68 R69 I70 I108 Y109 F111 I125 R128 L129N64-F66 PolarHBondContact O-N 3.17Å; N64-F66 WeakPolarHBondContact OD1-CA 3.39Å; N64-F66 WeakPolarHBondContact OD1-CB 3.3Å; N64-F66 PolarHBondContact OD1-N 2.91Å; F66-D68 VanDerWaalsContact C-N 3.26Å; F66-D68 PolarHBondContact O-N 3.35Å; F66-D68 VanDerWaalsContact O-N 3.15Å; F66-R69 WeakPolarHBondContact O-CA 3.37Å; F66-R69 WeakPolarHBondContact O-CB 3.22Å; F66-R69 PolarHBondContact O-N 3.48Å; F66-I70 HydrophobicContact CB-CD1 4.36Å; F66-I70 HydrophobicContact CB-CG1 4.42Å; F66-I70 WeakPolarHBondContact O-CG1 3.42Å; F66-I70 PolarHBondContact O-N 3.02Å; F66-I108 HydrophobicContact CB-CG2 4.05Å; F66-I108 HydrophobicContact CG-CG2 4.42Å; F66-Y109 HydrophobicContact CD1-CD1 4.32Å; F66-Y109 HydrophobicContact CD1-CE1 4.09Å; F66-Y109 HydrophobicContact CD2-CE1 4.4Å; F66-Y109 HydrophobicContact CE1-CD1 4.09Å; F66-Y109 AromaticContact CE1-CE1 3.8Å; F66-Y109 HydrophobicContact CE1-CE1 3.8Å; F66-Y109 HydrophobicContact CE2-CE1 4.14Å; F66-Y109 HydrophobicContact CG-CE1 4.38Å; F66-Y109 AromaticContact CZ-CE1 3.84Å; F66-Y109 HydrophobicContact CZ-CE1 3.84Å; F66-F111 HydrophobicContact CD1-CZ 4.32Å; F66-F111 HydrophobicContact CE1-CZ 4.35Å; F66-I125 HydrophobicContact CE1-CB 4.47Å; F66-I125 HydrophobicContact CE1-CG1 4.3Å; F66-I125 HydrophobicContact CE1-CG2 4.33Å; F66-I125 HydrophobicContact CZ-CG2 3.99Å; F66-R128 HydrophobicContact CE1-CB 4.02Å; F66-R128 HydrophobicContact CZ-CB 4.07Å; F66-L129 HydrophobicContact CE2-CD2 3.72Å; F66-L129 HydrophobicContact CE2-CG 4.16Å; F66-L129 HydrophobicContact CZ-CD2 4.07Å; F66-L129 HydrophobicContact CZ-CG 3.98Å
67R94.8Very high93.5Very high114 Ų11458.2 Ų58.243%0.4330%0.297SS..Hα-helixtrans-52.6-39.5-174.570.5-175.8-178.1-79.2-5.1114.3L61 N64 C71L61-R67 WeakPolarHBondContact O-CB 3.43Å; N64-R67 HydrophobicContact CB-CB 4.44Å; N64-R67 WeakPolarHBondContact O-CB 3.48Å; N64-R67 PolarHBondContact O-N 3.09Å; R67-C71 WeakPolarHBondContact O-CB 3.37Å; R67-C71 PolarHBondContact O-N 3.24Å; R67-C71 PolarHBondContact O-SG 3.19Å
68D95.1Very high93.5Very high68 Ų6860.5 Ų60.536%0.36431%0.306SS..Hα-helixtrans-66.4-42.1178.255.6-55.2000111F66 C71 R72 R128F66-D68 VanDerWaalsContact C-N 3.26Å; F66-D68 PolarHBondContact O-N 3.35Å; F66-D68 VanDerWaalsContact O-N 3.15Å; D68-C71 PolarHBondContact O-N 2.79Å; D68-R72 VanDerWaalsContact O-CB 3.32Å; D68-R72 WeakPolarHBondContact O-CB 3.37Å; D68-R72 PolarHBondContact O-N 3.06Å; D68-R128 IonicContact OD1-CZ 3.51Å; D68-R128 IonicContact OD1-NH1 3.5Å; D68-R128 PolarHBondContact OD1-NH1 2.87Å; D68-R128 IonicContact OD1-NH2 3.81Å; D68-R128 IonicContact OD2-CZ 3.63Å; D68-R128 IonicContact OD2-NH1 3.95Å; D68-R128 PolarHBondContact OD2-NH1 2.92Å; D68-R128 IonicContact OD2-NH2 2.66Å; D68-R128 PolarHBondContact OD2-NH2 3.37Å
69R96.2Very high93.8Very high13 Ų1362 Ų625%0.04932%0.316CS..Hα-helixtrans-68.8-45.1176.6-64.7-52-51.8-72.1-0.9112.3F66 C71 R72 V73 R107 I108 D110 F111F66-R69 WeakPolarHBondContact O-CA 3.37Å; F66-R69 WeakPolarHBondContact O-CB 3.22Å; F66-R69 PolarHBondContact O-N 3.48Å; R69-C71 VanDerWaalsContact C-N 3.25Å; R69-C71 PolarHBondContact O-N 2.85Å; R69-R72 WeakPolarHBondContact O-CB 3.41Å; R69-R72 PolarHBondContact O-N 2.89Å; R69-R72 VanDerWaalsContact O-N 3.16Å; R69-V73 WeakPolarHBondContact O-CG2 3.5Å; R69-V73 PolarHBondContact O-N 2.73Å; R69-R107 PolarHBondContact NH2-O 2.98Å; R69-I108 HydrophobicContact CB-CG2 3.97Å; R69-I108 WeakPolarHBondContact CB-O 3.44Å; R69-I108 PolarHBondContact NH1-O 3.22Å; R69-D110 VanDerWaalsContact CZ-O 3.31Å; R69-D110 PolarHBondContact NH1-O 3.31Å; R69-D110 PolarHBondContact NH2-O 3.31Å; R69-F111 VanDerWaalsContact CD-CE1 3.48Å; R69-F111 HydrophobicContact CG-CD1 3.95Å; R69-F111 HydrophobicContact CG-CE1 3.35Å; R69-F111 HydrophobicContact CG-CZ 3.93Å; R69-F111 VanDerWaalsContact NH1-CD2 3.28Å; R69-F111 VanDerWaalsContact NH1-N 3.19Å
70I96.2Very high94.1Very high4 Ų457.1 Ų57.12%0.02128%0.284CS..Hα-helixtrans-55.1-48.2172.4-65.3167.4000109L61 F66 R72 V73 F74 M88 F92 I108 I180L61-I70 HydrophobicContact CD2-CD1 3.94Å; L61-I70 HydrophobicContact CD2-CG2 4.03Å; F66-I70 HydrophobicContact CB-CD1 4.36Å; F66-I70 HydrophobicContact CB-CG1 4.42Å; F66-I70 WeakPolarHBondContact O-CG1 3.42Å; F66-I70 PolarHBondContact O-N 3.02Å; I70-R72 VanDerWaalsContact C-N 3.32Å; I70-R72 PolarHBondContact O-N 3.14Å; I70-V73 PolarHBondContact O-N 3.16Å; I70-F74 HydrophobicContact CG2-CD2 4Å; I70-F74 HydrophobicContact CG2-CE2 4.33Å; I70-F74 WeakPolarHBondContact O-CD2 3.47Å; I70-F74 PolarHBondContact O-N 3.08Å; I70-M88 HydrophobicContact CG2-CG 4.32Å; I70-M88 HydrophobicContact CG2-SD 3.76Å; I70-F92 HydrophobicContact CD1-CZ 3.97Å; I70-F92 HydrophobicContact CG1-CZ 4.05Å; I70-F92 HydrophobicContact CG2-CE2 3.92Å; I70-F92 HydrophobicContact CG2-CZ 4.28Å; I70-I108 HydrophobicContact CG1-CD1 3.9Å; I70-I108 HydrophobicContact CG1-CG1 4.33Å; I70-I108 HydrophobicContact CG1-CG2 4.43Å; I70-I180 HydrophobicContact CD1-CD1 3.89Å
71C96.5Very high94.5Very high0 Ų057.5 Ų57.50%029%0.285CS..Hα-helixtrans-63.9-39.9-179.7-69.80000112.5V52 R67 D68 R69 S75 F80V52-C71 HydrophobicContact CG1-CB 3.74Å; V52-C71 HydrophobicContact CG2-CB 4.4Å; R67-C71 WeakPolarHBondContact O-CB 3.37Å; R67-C71 PolarHBondContact O-N 3.24Å; R67-C71 PolarHBondContact O-SG 3.19Å; D68-C71 PolarHBondContact O-N 2.79Å; R69-C71 VanDerWaalsContact C-N 3.25Å; R69-C71 PolarHBondContact O-N 2.85Å; C71-S75 WeakPolarHBondContact O-CB 3.49Å; C71-S75 PolarHBondContact O-N 2.78Å; C71-S75 PolarHBondContact O-OG 3.2Å; C71-F80 HydrophobicContact CB-CE2 4.29Å; C71-F80 HydrophobicContact CB-CZ 4.14Å; C71-F80 WeakPolarHBondContact O-CZ 3.44Å
72R95.7Very high94.6Very high120 Ų12057.5 Ų57.545%0.45329%0.285SS..Hα-helixtrans-60.5-46.6177.5177.661.4175.1-178.32.6112.1D68 R69 I70 E113D68-R72 VanDerWaalsContact O-CB 3.32Å; D68-R72 WeakPolarHBondContact O-CB 3.37Å; D68-R72 PolarHBondContact O-N 3.06Å; R69-R72 WeakPolarHBondContact O-CB 3.41Å; R69-R72 PolarHBondContact O-N 2.89Å; R69-R72 VanDerWaalsContact O-N 3.16Å; I70-R72 VanDerWaalsContact C-N 3.32Å; I70-R72 PolarHBondContact O-N 3.14Å; R72-E113 IonicContact CZ-OE1 3.15Å; R72-E113 IonicContact NE-OE1 2.76Å; R72-E113 PolarHBondContact NE-OE1 2.69Å; R72-E113 IonicContact NH2-OE1 2.78Å; R72-E113 PolarHBondContact NH2-OE1 2.89Å; R72-E113 IonicContact NH2-OE2 3.44Å; R72-E113 PolarHBondContact NH2-OE2 3.5Å; R72-E113 VanDerWaalsContact NH2-OE2 3.09Å
73V96.5Very high94.8Very high35 Ų3553.6 Ų53.621%0.21227%0.274CS..Hα-helixtrans-69.3-36.6-176.1170.70000112.9R69 I70 Y104 R107 I108R69-V73 WeakPolarHBondContact O-CG2 3.5Å; R69-V73 PolarHBondContact O-N 2.73Å; I70-V73 PolarHBondContact O-N 3.16Å; V73-Y104 HydrophobicContact CG1-CD1 3.76Å; V73-Y104 HydrophobicContact CG1-CE1 4.05Å; V73-R107 HydrophobicContact CG1-CB 4.03Å; V73-R107 HydrophobicContact CG2-CB 4.03Å; V73-R107 WeakPolarHBondContact CG2-O 3.43Å; V73-I108 HydrophobicContact CB-CG1 4.33Å; V73-I108 HydrophobicContact CG2-CG1 3.97Å
74F96.5Very high95.1Very high11 Ų1148.6 Ų48.65%0.04824%0.243CC..Hα-helixtrans-95.5-14.6-175.6-74.3-79.4000114.7I70 F80 M88 V91 F92 Y104I70-F74 HydrophobicContact CG2-CD2 4Å; I70-F74 HydrophobicContact CG2-CE2 4.33Å; I70-F74 WeakPolarHBondContact O-CD2 3.47Å; I70-F74 PolarHBondContact O-N 3.08Å; F74-F80 HydrophobicContact CB-CE1 3.67Å; F74-F80 HydrophobicContact CB-CZ 4.3Å; F74-M88 HydrophobicContact CB-CB 4.16Å; F74-M88 HydrophobicContact CB-CG 4.45Å; F74-M88 HydrophobicContact CD1-CB 3.7Å; F74-M88 HydrophobicContact CD1-CG 4.3Å; F74-M88 HydrophobicContact CD2-CB 4.1Å; F74-M88 HydrophobicContact CD2-CG 3.79Å; F74-M88 HydrophobicContact CD2-SD 4.37Å; F74-M88 HydrophobicContact CE1-CB 4.05Å; F74-M88 HydrophobicContact CE2-CB 4.43Å; F74-M88 HydrophobicContact CE2-CG 4.04Å; F74-M88 HydrophobicContact CG-CB 3.73Å; F74-M88 HydrophobicContact CG-CG 3.93Å; F74-M88 HydrophobicContact CZ-CB 4.39Å; F74-M88 HydrophobicContact CZ-CG 4.38Å; F74-V91 HydrophobicContact CE1-CB 4.2Å; F74-V91 HydrophobicContact CE1-CG2 3.82Å; F74-V91 HydrophobicContact CZ-CB 3.79Å; F74-V91 HydrophobicContact CZ-CG1 4Å; F74-V91 HydrophobicContact CZ-CG2 3.82Å; F74-F92 AromaticContact CE2-CE2 3.85Å; F74-F92 HydrophobicContact CE2-CE2 3.85Å; F74-F92 HydrophobicContact CZ-CE2 4.36Å; F74-Y104 HydrophobicContact CD1-CD1 4.39Å; F74-Y104 AromaticContact CD1-CE1 3.82Å; F74-Y104 HydrophobicContact CD1-CE1 3.82Å; F74-Y104 AromaticContact CE1-CD1 3.51Å; F74-Y104 HydrophobicContact CE1-CD1 3.51Å; F74-Y104 AromaticContact CE1-CE1 3.13Å; F74-Y104 HydrophobicContact CE1-CE1 3.13Å; F74-Y104 HydrophobicContact CE1-CG 4.43Å; F74-Y104 AromaticContact CE1-CZ 3.82Å; F74-Y104 AromaticContact CE2-CD1 3.79Å; F74-Y104 HydrophobicContact CE2-CD1 3.79Å; F74-Y104 HydrophobicContact CE2-CE1 4.19Å; F74-Y104 AromaticContact CZ-CD1 3.15Å; F74-Y104 HydrophobicContact CZ-CD1 3.15Å; F74-Y104 AromaticContact CZ-CE1 3.37Å; F74-Y104 HydrophobicContact CZ-CE1 3.37Å; F74-Y104 AromaticContact CZ-CG 3.93Å; F74-Y104 HydrophobicContact CZ-CG 3.93Å
75S96.2Very high95.2Very high15 Ų1547.2 Ų47.211%0.10524%0.235CC..  trans-84.6147.2178.872.70000112.5C71 V79 F80C71-S75 WeakPolarHBondContact O-CB 3.49Å; C71-S75 PolarHBondContact O-N 2.78Å; C71-S75 PolarHBondContact O-OG 3.2Å; S75-V79 WeakPolarHBondContact CA-O 3.39Å; S75-V79 WeakPolarHBondContact CB-O 3.43Å; S75-F80 VanDerWaalsContact CB-CE2 3.47Å
76H94.1Very high95.3Very high120 Ų12045 Ų4556%0.55622%0.221SC*.BIsolated β-bridgetrans-106.3121.6166.9-68.295.5000108.9N78 V79 D84H76-N78 VanDerWaalsContact C-N 3.28Å; H76-N78 PolarHBondContact O-N 2.66Å; H76-V79 PolarHBondContact N-O 3.23Å; H76-V79 WeakPolarHBondContact O-CG2 3.34Å; H76-V79 PolarHBondContact O-N 3.26Å; H76-V79 VanDerWaalsContact O-N 3.13Å; H76-V79 VanDerWaalsContact O-O 3.09Å; H76-D84 IonicContact CE1-OD1 3.51Å; H76-D84 PolarHBondContact CE1-OD1 2.91Å; H76-D84 IonicContact ND1-OD1 2.64Å; H76-D84 PolarHBondContact ND1-OD1 3.47Å; H76-D84 IonicContact ND1-OD2 3.64Å
77N92.7Very high95.3Very high156 Ų15645.5 Ų45.583%0.83423%0.23SC*.THydrogen-bonded Turntrans55.238.6-176.8-55.9-49.9000113.9V79N77-V79 PolarHBondContact O-N 2.73Å
78N93.5Very high95.3Very high95 Ų9540.1 Ų40.151%0.50821%0.21SC..THydrogen-bonded Turntrans60.521.8-177.1-54.9-41.8000114.6V52 H76V52-N78 HydrophobicContact CG2-CB 4.23Å; V52-N78 WeakPolarHBondContact CG2-O 3.44Å; H76-N78 VanDerWaalsContact C-N 3.28Å; H76-N78 PolarHBondContact O-N 2.66Å
79V96.1Very high95.3Very high49 Ų4937 Ų3730%0.29719%0.194SC..EExtended strand (participates in β ladder)trans-129.8158.6170.7-63.10000110.8T49 L50 S75 H76 N77T49-V79 HydrophobicContact CG2-CG2 4.42Å; L50-V79 CarbonylContact O-C 3.51Å; L50-V79 VanDerWaalsContact O-CA 3.27Å; L50-V79 WeakPolarHBondContact O-CA 3.41Å; S75-V79 WeakPolarHBondContact CA-O 3.39Å; S75-V79 WeakPolarHBondContact CB-O 3.43Å; H76-V79 PolarHBondContact N-O 3.23Å; H76-V79 WeakPolarHBondContact O-CG2 3.34Å; H76-V79 PolarHBondContact O-N 3.26Å; H76-V79 VanDerWaalsContact O-N 3.13Å; H76-V79 VanDerWaalsContact O-O 3.09Å; N77-V79 PolarHBondContact O-N 2.73Å
80F96.3Very high95.3Very high0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-115.6119.3178.2-73.5-98.3000110T49 L50 V52 V55 C71 F74 S75 D84 V85 M88T49-F80 CarbonylContact C-O 3.56Å; T49-F80 WeakPolarHBondContact CA-O 3.38Å; L50-F80 HydrophobicContact CB-CB 4.31Å; L50-F80 PolarHBondContact N-O 2.96Å; L50-F80 PolarHBondContact O-N 2.88Å; V52-F80 HydrophobicContact CG2-CE2 4.03Å; V55-F80 HydrophobicContact CB-CD2 4.01Å; V55-F80 HydrophobicContact CB-CE2 4Å; V55-F80 HydrophobicContact CB-CG 4.47Å; V55-F80 HydrophobicContact CB-CZ 4.46Å; V55-F80 HydrophobicContact CG1-CD2 4.41Å; V55-F80 HydrophobicContact CG1-CE1 4.28Å; V55-F80 HydrophobicContact CG1-CE2 4.15Å; V55-F80 HydrophobicContact CG1-CZ 4.11Å; V55-F80 HydrophobicContact CG2-CB 3.99Å; V55-F80 HydrophobicContact CG2-CD1 4.3Å; V55-F80 HydrophobicContact CG2-CD2 3.51Å; V55-F80 HydrophobicContact CG2-CE2 4.02Å; V55-F80 HydrophobicContact CG2-CG 3.68Å; C71-F80 HydrophobicContact CB-CE2 4.29Å; C71-F80 HydrophobicContact CB-CZ 4.14Å; C71-F80 WeakPolarHBondContact O-CZ 3.44Å; F74-F80 HydrophobicContact CB-CE1 3.67Å; F74-F80 HydrophobicContact CB-CZ 4.3Å; S75-F80 VanDerWaalsContact CB-CE2 3.47Å; F80-D84 HydrophobicContact CB-CB 4.31Å; F80-D84 HydrophobicContact CD1-CB 3.77Å; F80-D84 HydrophobicContact CG-CB 4.45Å; F80-V85 HydrophobicContact CB-CG2 3.97Å; F80-V85 HydrophobicContact CD1-CG2 4.15Å; F80-V85 HydrophobicContact CG-CG2 4.41Å; F80-M88 HydrophobicContact CE1-SD 4.44Å
81S95.3Very high95.2Very high30 Ų3036.8 Ų36.821%0.2120%0.195CC..  trans-70.4172.115964.60000110.8E83 D84 V85S81-E83 VanDerWaalsContact C-N 3.28Å; S81-D84 WeakPolarHBondContact CB-OD2 3.47Å; S81-D84 PolarHBondContact N-OD2 3.11Å; S81-D84 PolarHBondContact O-N 3.44Å; S81-D84 PolarHBondContact OG-N 3.34Å; S81-D84 VanDerWaalsContact OG-N 3.1Å; S81-D84 PolarHBondContact OG-OD2 3.07Å; S81-V85 PolarHBondContact O-N 2.94Å
82F93.9Very high95.1Very high0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-62.5-40.5172.8178.3-111.3000111.4M9 Y17 I28 I31 H32 F35 Y45 D84 V85 L86M9-F82 HydrophobicContact CE-CD1 4.47Å; M9-F82 HydrophobicContact CE-CE1 3.38Å; M9-F82 HydrophobicContact CE-CZ 3.43Å; M9-F82 VanDerWaalsContact CE-CZ 3.43Å; Y17-F82 HydrophobicContact CD2-CE1 4.09Å; Y17-F82 HydrophobicContact CE2-CD1 4.18Å; Y17-F82 AromaticContact CE2-CE1 3.68Å; Y17-F82 HydrophobicContact CE2-CE1 3.68Å; Y17-F82 AromaticContact CZ-CE1 3.96Å; I28-F82 HydrophobicContact CG2-CZ 4.49Å; I31-F82 HydrophobicContact CG2-CE2 3.88Å; H32-F82 HydrophobicContact CB-CE2 3.82Å; H32-F82 HydrophobicContact CB-CZ 3.88Å; F35-F82 HydrophobicContact CB-CD2 4.09Å; F35-F82 HydrophobicContact CB-CE2 4.45Å; F35-F82 HydrophobicContact CD1-CB 4.4Å; F35-F82 HydrophobicContact CD1-CD2 4.05Å; F35-F82 HydrophobicContact CD2-CD2 4.21Å; F35-F82 HydrophobicContact CE1-CB 4.05Å; F35-F82 HydrophobicContact CE2-CB 4.3Å; F35-F82 AromaticContact CG-CD2 3.87Å; F35-F82 HydrophobicContact CG-CD2 3.87Å; F35-F82 HydrophobicContact CZ-CB 4Å; Y45-F82 HydrophobicContact CD2-CB 3.82Å; Y45-F82 AromaticContact CD2-CD1 3.39Å; Y45-F82 HydrophobicContact CD2-CD1 3.39Å; Y45-F82 HydrophobicContact CD2-CD2 4.26Å; Y45-F82 AromaticContact CD2-CE1 3.98Å; Y45-F82 HydrophobicContact CD2-CE1 3.98Å; Y45-F82 AromaticContact CD2-CG 3.54Å; Y45-F82 HydrophobicContact CD2-CG 3.54Å; Y45-F82 HydrophobicContact CE2-CB 4.5Å; Y45-F82 AromaticContact CE2-CD1 3.36Å; Y45-F82 HydrophobicContact CE2-CD1 3.36Å; Y45-F82 AromaticContact CE2-CE1 3.73Å; Y45-F82 HydrophobicContact CE2-CE1 3.73Å; Y45-F82 HydrophobicContact CE2-CG 4.03Å; F82-D84 VanDerWaalsContact C-N 3.32Å; F82-D84 PolarHBondContact O-N 3.23Å; F82-V85 PolarHBondContact O-N 3.31Å; F82-L86 HydrophobicContact CD1-CD1 3.87Å; F82-L86 HydrophobicContact CD1-CG 4.3Å; F82-L86 HydrophobicContact CE1-CD1 3.3Å; F82-L86 HydrophobicContact CE1-CD2 4.41Å; F82-L86 HydrophobicContact CE1-CG 3.84Å; F82-L86 HydrophobicContact CE2-CD2 4.47Å; F82-L86 HydrophobicContact CE2-CG 4.28Å; F82-L86 HydrophobicContact CZ-CD1 3.72Å; F82-L86 HydrophobicContact CZ-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CG 3.8Å; F82-L86 PolarHBondContact O-N 3.39Å
83E95.3Very high95Very high73 Ų7331.9 Ų31.934%0.34118%0.178SC..Hα-helixtrans-61-38.5176.2-69.772.7-164.500112Y17 S81 L86 G87Y17-E83 HydrophobicContact CE1-CG 4.09Å; Y17-E83 PolarHBondContact OH-OE1 3.38Å; S81-E83 VanDerWaalsContact C-N 3.28Å; E83-L86 PolarHBondContact O-N 3.45Å; E83-G87 PolarHBondContact O-N 2.86Å
84D96.3Very high94.7Very high21 Ų2136.2 Ų36.211%0.11220%0.196CC..Hα-helixtrans-64.5-41.7176.2-63.3-38.5000111.6H76 F80 S81 F82 G87 M88H76-D84 IonicContact CE1-OD1 3.51Å; H76-D84 PolarHBondContact CE1-OD1 2.91Å; H76-D84 IonicContact ND1-OD1 2.64Å; H76-D84 PolarHBondContact ND1-OD1 3.47Å; H76-D84 IonicContact ND1-OD2 3.64Å; F80-D84 HydrophobicContact CB-CB 4.31Å; F80-D84 HydrophobicContact CD1-CB 3.77Å; F80-D84 HydrophobicContact CG-CB 4.45Å; S81-D84 WeakPolarHBondContact CB-OD2 3.47Å; S81-D84 PolarHBondContact N-OD2 3.11Å; S81-D84 PolarHBondContact O-N 3.44Å; S81-D84 PolarHBondContact OG-N 3.34Å; S81-D84 VanDerWaalsContact OG-N 3.1Å; S81-D84 PolarHBondContact OG-OD2 3.07Å; F82-D84 VanDerWaalsContact C-N 3.32Å; F82-D84 PolarHBondContact O-N 3.23Å; D84-G87 PolarHBondContact O-N 2.93Å; D84-M88 WeakPolarHBondContact O-CB 3.27Å; D84-M88 PolarHBondContact O-N 3.04Å
85V94.7Very high94.4Very high4 Ų441.4 Ų41.42%0.02422%0.22CC..Hα-helixtrans-67.4-39.6176.61790000111.1I31 F35 F80 S81 F82 M88 A89 W183I31-V85 HydrophobicContact CG2-CG1 3.74Å; F35-V85 HydrophobicContact CD2-CB 4.49Å; F35-V85 HydrophobicContact CD2-CG2 3.99Å; F35-V85 HydrophobicContact CE2-CG2 4.08Å; F80-V85 HydrophobicContact CB-CG2 3.97Å; F80-V85 HydrophobicContact CD1-CG2 4.15Å; F80-V85 HydrophobicContact CG-CG2 4.41Å; S81-V85 PolarHBondContact O-N 2.94Å; F82-V85 PolarHBondContact O-N 3.31Å; V85-M88 HydrophobicContact CG1-CE 4.46Å; V85-M88 PolarHBondContact O-N 3.32Å; V85-A89 WeakPolarHBondContact O-CB 3.45Å; V85-A89 PolarHBondContact O-N 3.14Å; V85-W183 HydrophobicContact CG1-CH2 4.3Å; V85-W183 HydrophobicContact CG1-CZ2 3.92Å
86L94.7Very high94.3Very high3 Ų341 Ų412%0.01622%0.218CC..Hα-helixtrans-63.2-44.7172.8-76.1-177.3000111.7Y17 T21 L23 I28 I31 F82 E83 M88 A89 S90Y17-L86 HydrophobicContact CD1-CD1 3.48Å; Y17-L86 VanDerWaalsContact CD1-CD1 3.48Å; Y17-L86 HydrophobicContact CD2-CD1 4.01Å; Y17-L86 HydrophobicContact CE1-CD1 3.9Å; Y17-L86 HydrophobicContact CE2-CD1 4.38Å; Y17-L86 HydrophobicContact CG-CD1 3.56Å; T21-L86 HydrophobicContact CG2-CB 4.47Å; L23-L86 HydrophobicContact CD1-CD2 3.88Å; I28-L86 HydrophobicContact CB-CD2 4.5Å; I28-L86 HydrophobicContact CG1-CD2 4.24Å; I28-L86 HydrophobicContact CG2-CD2 4.17Å; I31-L86 HydrophobicContact CB-CD2 4.21Å; I31-L86 HydrophobicContact CD1-CD2 3.73Å; I31-L86 HydrophobicContact CG2-CD2 3.95Å; F82-L86 HydrophobicContact CD1-CD1 3.87Å; F82-L86 HydrophobicContact CD1-CG 4.3Å; F82-L86 HydrophobicContact CE1-CD1 3.3Å; F82-L86 HydrophobicContact CE1-CD2 4.41Å; F82-L86 HydrophobicContact CE1-CG 3.84Å; F82-L86 HydrophobicContact CE2-CD2 4.47Å; F82-L86 HydrophobicContact CE2-CG 4.28Å; F82-L86 HydrophobicContact CZ-CD1 3.72Å; F82-L86 HydrophobicContact CZ-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CG 3.8Å; F82-L86 PolarHBondContact O-N 3.39Å; E83-L86 PolarHBondContact O-N 3.45Å; L86-M88 VanDerWaalsContact C-N 3.34Å; L86-M88 PolarHBondContact O-N 2.91Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-S90 WeakPolarHBondContact O-CB 3.24Å; L86-S90 PolarHBondContact O-N 3.04Å
87G95.2Very high94.2Very high25 Ų2537.5 Ų37.526%0.25821%0.206SC..Hα-helixtrans-59.3-45.5176.500000111.7E83 D84 S90 V91E83-G87 PolarHBondContact O-N 2.86Å; D84-G87 PolarHBondContact O-N 2.93Å; G87-S90 WeakPolarHBondContact O-CB 3.46Å; G87-S90 PolarHBondContact O-N 2.9Å; G87-V91 WeakPolarHBondContact O-CG2 3.44Å; G87-V91 PolarHBondContact O-N 3.07Å
88M95.6Very high94.1Very high0 Ų033.6 Ų33.60%019%0.189CC..Hα-helixtrans-58.5-53.5174.1-175.8178.459.400111.9V55 L61 I70 F74 F80 D84 V85 L86 S90 V91 F92 F182V55-M88 HydrophobicContact CG1-CE 3.79Å; V55-M88 HydrophobicContact CG1-SD 4.41Å; L61-M88 HydrophobicContact CD1-CE 4.18Å; L61-M88 HydrophobicContact CD1-SD 4.07Å; I70-M88 HydrophobicContact CG2-CG 4.32Å; I70-M88 HydrophobicContact CG2-SD 3.76Å; F74-M88 HydrophobicContact CB-CB 4.16Å; F74-M88 HydrophobicContact CB-CG 4.45Å; F74-M88 HydrophobicContact CD1-CB 3.7Å; F74-M88 HydrophobicContact CD1-CG 4.3Å; F74-M88 HydrophobicContact CD2-CB 4.1Å; F74-M88 HydrophobicContact CD2-CG 3.79Å; F74-M88 HydrophobicContact CD2-SD 4.37Å; F74-M88 HydrophobicContact CE1-CB 4.05Å; F74-M88 HydrophobicContact CE2-CB 4.43Å; F74-M88 HydrophobicContact CE2-CG 4.04Å; F74-M88 HydrophobicContact CG-CB 3.73Å; F74-M88 HydrophobicContact CG-CG 3.93Å; F74-M88 HydrophobicContact CZ-CB 4.39Å; F74-M88 HydrophobicContact CZ-CG 4.38Å; F80-M88 HydrophobicContact CE1-SD 4.44Å; D84-M88 WeakPolarHBondContact O-CB 3.27Å; D84-M88 PolarHBondContact O-N 3.04Å; V85-M88 HydrophobicContact CG1-CE 4.46Å; V85-M88 PolarHBondContact O-N 3.32Å; L86-M88 VanDerWaalsContact C-N 3.34Å; L86-M88 PolarHBondContact O-N 2.91Å; M88-S90 VanDerWaalsContact C-N 3.26Å; M88-S90 PolarHBondContact O-N 3.43Å; M88-V91 PolarHBondContact O-N 2.96Å; M88-F92 HydrophobicContact CG-CD2 4.12Å; M88-F92 HydrophobicContact CG-CE2 4.11Å; M88-F92 VanDerWaalsContact O-CD2 3.25Å; M88-F92 WeakPolarHBondContact O-CD2 3.26Å; M88-F92 PolarHBondContact O-N 3.37Å; M88-F182 HydrophobicContact CE-CD1 4.33Å; M88-F182 HydrophobicContact CE-CE1 3.54Å; M88-F182 HydrophobicContact CE-CZ 3.88Å; M88-F182 HydrophobicContact CG-CE1 4.36Å; M88-F182 HydrophobicContact CG-CE2 4.32Å; M88-F182 HydrophobicContact CG-CZ 3.71Å; M88-F182 HydrophobicContact SD-CE1 3.96Å; M88-F182 HydrophobicContact SD-CZ 3.81Å
89A94.5Very high94.1Very high4 Ų432 Ų323%0.03319%0.186CC..Hα-helixtrans-61-37.4178.800000112.2L23 I31 V85 L86 F92 S93L23-A89 HydrophobicContact CD1-CB 4.09Å; L23-A89 HydrophobicContact CD2-CB 4.27Å; I31-A89 HydrophobicContact CD1-CB 3.67Å; V85-A89 WeakPolarHBondContact O-CB 3.45Å; V85-A89 PolarHBondContact O-N 3.14Å; L86-A89 PolarHBondContact O-N 3.41Å; A89-F92 PolarHBondContact O-N 3.08Å; A89-S93 PolarHBondContact O-N 3.15Å
90S95.2Very high94Very high8 Ų831.4 Ų31.46%0.05618%0.181CC..Hα-helixtrans-61.4-46.2178.1-174.60000111.6T21 F22 L86 G87 M88 F92 S93 A96T21-S90 WeakPolarHBondContact CA-OG 2.95Å; T21-S90 WeakPolarHBondContact CB-OG 3.25Å; F22-S90 WeakPolarHBondContact CD2-OG 3.29Å; F22-S90 PolarHBondContact N-OG 3.31Å; L86-S90 WeakPolarHBondContact O-CB 3.24Å; L86-S90 PolarHBondContact O-N 3.04Å; G87-S90 WeakPolarHBondContact O-CB 3.46Å; G87-S90 PolarHBondContact O-N 2.9Å; M88-S90 VanDerWaalsContact C-N 3.26Å; M88-S90 PolarHBondContact O-N 3.43Å; S90-F92 PolarHBondContact O-N 3.45Å; S90-S93 WeakPolarHBondContact O-CB 3.36Å; S90-S93 PolarHBondContact O-N 3.35Å; S90-A96 WeakPolarHBondContact O-CB 3.23Å
91V95.6Very high93.9Very high4 Ų431.5 Ų31.52%0.02418%0.181CC..Hα-helixtrans-62.9-41.5178.9169.10000112.1F74 G87 M88 S93 L100 K101 Y104 F178F74-V91 HydrophobicContact CE1-CB 4.2Å; F74-V91 HydrophobicContact CE1-CG2 3.82Å; F74-V91 HydrophobicContact CZ-CB 3.79Å; F74-V91 HydrophobicContact CZ-CG1 4Å; F74-V91 HydrophobicContact CZ-CG2 3.82Å; G87-V91 WeakPolarHBondContact O-CG2 3.44Å; G87-V91 PolarHBondContact O-N 3.07Å; M88-V91 PolarHBondContact O-N 2.96Å; V91-S93 VanDerWaalsContact C-N 3.27Å; V91-S93 PolarHBondContact O-N 2.82Å; V91-L100 HydrophobicContact CG2-CD2 4.09Å; V91-L100 HydrophobicContact CG2-CG 4.17Å; V91-K101 WeakPolarHBondContact O-CE 3.28Å; V91-Y104 HydrophobicContact CB-CD2 4.43Å; V91-Y104 HydrophobicContact CB-CG 4.43Å; V91-Y104 HydrophobicContact CG1-CD1 4.44Å; V91-Y104 HydrophobicContact CG1-CD2 3.97Å; V91-Y104 HydrophobicContact CG1-CG 3.75Å; V91-Y104 HydrophobicContact CG2-CD1 4.24Å; V91-Y104 HydrophobicContact CG2-CD2 3.54Å; V91-Y104 HydrophobicContact CG2-CE1 4.24Å; V91-Y104 HydrophobicContact CG2-CE2 3.55Å; V91-Y104 HydrophobicContact CG2-CG 3.89Å; V91-F178 HydrophobicContact CG1-CE1 4.05Å
92F94.4Very high93.9Very high7 Ų730.5 Ų30.53%0.03117%0.173CC..Hα-helixtrans-81.5-3.8-180-72.9-68.2000114I70 F74 M88 A89 S90 I108 F178 I180 F182I70-F92 HydrophobicContact CD1-CZ 3.97Å; I70-F92 HydrophobicContact CG1-CZ 4.05Å; I70-F92 HydrophobicContact CG2-CE2 3.92Å; I70-F92 HydrophobicContact CG2-CZ 4.28Å; F74-F92 AromaticContact CE2-CE2 3.85Å; F74-F92 HydrophobicContact CE2-CE2 3.85Å; F74-F92 HydrophobicContact CZ-CE2 4.36Å; M88-F92 HydrophobicContact CG-CD2 4.12Å; M88-F92 HydrophobicContact CG-CE2 4.11Å; M88-F92 VanDerWaalsContact O-CD2 3.25Å; M88-F92 WeakPolarHBondContact O-CD2 3.26Å; M88-F92 PolarHBondContact O-N 3.37Å; A89-F92 PolarHBondContact O-N 3.08Å; S90-F92 PolarHBondContact O-N 3.45Å; F92-I108 HydrophobicContact CZ-CD1 4.01Å; F92-F178 HydrophobicContact CD1-CD1 4.08Å; F92-F178 AromaticContact CD1-CE1 3.9Å; F92-F178 HydrophobicContact CD1-CE1 3.9Å; F92-F178 HydrophobicContact CD1-CZ 4.38Å; F92-F178 HydrophobicContact CE1-CD1 4.02Å; F92-F178 HydrophobicContact CE1-CD2 4.5Å; F92-F178 AromaticContact CE1-CE1 3.55Å; F92-F178 HydrophobicContact CE1-CE1 3.55Å; F92-F178 HydrophobicContact CE1-CE2 4.06Å; F92-F178 HydrophobicContact CE1-CG 4.48Å; F92-F178 AromaticContact CE1-CZ 3.58Å; F92-F178 HydrophobicContact CE1-CZ 3.58Å; F92-F178 HydrophobicContact CZ-CE1 4.26Å; F92-F178 HydrophobicContact CZ-CZ 4.03Å; F92-I180 HydrophobicContact CB-CB 4Å; F92-I180 HydrophobicContact CB-CG1 4.44Å; F92-I180 HydrophobicContact CD1-CB 4.18Å; F92-I180 HydrophobicContact CD1-CD1 3.79Å; F92-I180 HydrophobicContact CD1-CG1 3.65Å; F92-I180 HydrophobicContact CD2-CD1 4.05Å; F92-I180 HydrophobicContact CD2-CG1 4.49Å; F92-I180 HydrophobicContact CE1-CD1 3.65Å; F92-I180 HydrophobicContact CE1-CG1 3.96Å; F92-I180 HydrophobicContact CE2-CD1 3.93Å; F92-I180 HydrophobicContact CG-CB 4.01Å; F92-I180 HydrophobicContact CG-CD1 3.99Å; F92-I180 HydrophobicContact CG-CG1 3.95Å; F92-I180 HydrophobicContact CZ-CD1 3.72Å; F92-I180 HydrophobicContact CZ-CG1 4.5Å; F92-F182 HydrophobicContact CB-CD2 4.36Å; F92-F182 HydrophobicContact CB-CE2 3.75Å; F92-F182 AromaticContact CD2-CE2 3.48Å; F92-F182 HydrophobicContact CD2-CE2 3.48Å; F92-F182 VanDerWaalsContact CD2-CE2 3.48Å; F92-F182 AromaticContact CD2-CZ 3.8Å; F92-F182 HydrophobicContact CD2-CZ 3.8Å; F92-F182 HydrophobicContact CE2-CE2 4.36Å; F92-F182 HydrophobicContact CE2-CZ 4.25Å; F92-F182 AromaticContact CG-CE2 3.85Å; F92-F182 HydrophobicContact CG-CE2 3.85Å
93S92.6Very high94Very high10 Ų1034 Ų347%0.0719%0.189CC..SBendtrans-58.4146.9175.3178.90000111.2F22 A89 S90 V91 Q95 A96 K101F22-S93 PolarHBondContact O-OG 3.01Å; A89-S93 PolarHBondContact O-N 3.15Å; S90-S93 WeakPolarHBondContact O-CB 3.36Å; S90-S93 PolarHBondContact O-N 3.35Å; V91-S93 VanDerWaalsContact C-N 3.27Å; V91-S93 PolarHBondContact O-N 2.82Å; S93-Q95 PolarHBondContact O-N 3.22Å; S93-Q95 PolarHBondContact OG-N 3.04Å; S93-Q95 VanDerWaalsContact OG-N 3.15Å; S93-A96 PolarHBondContact O-N 3.45Å; S93-K101 WeakPolarHBondContact O-CE 3.15Å; S93-K101 PolarHBondContact O-NZ 3.45Å
94E89.9Confident94.1Very high126 Ų12632.8 Ų32.859%0.58918%0.182SC*.THydrogen-bonded Turntrans-62.3-29.6170.4177.7163.4-150.200112.1A96 R179E94-A96 VanDerWaalsContact C-N 3.32Å; E94-R179 IonicContact OE1-CZ 3.7Å; E94-R179 IonicContact OE1-NH1 2.73Å; E94-R179 PolarHBondContact OE1-NH1 3.22Å; E94-R179 IonicContact OE1-NH2 3.82Å; E94-R179 IonicContact OE2-NH1 3.9Å
95Q91.1Very high94Very high120 Ų12031.8 Ų31.856%0.56118%0.177SC*.THydrogen-bonded Turntrans-82.8-8.8-177-61.1178.225.400113.5F22 S93F22-Q95 HydrophobicContact CB-CB 4.13Å; F22-Q95 VanDerWaalsContact CD1-O 3.26Å; F22-Q95 WeakPolarHBondContact CD1-O 3.26Å; S93-Q95 PolarHBondContact O-N 3.22Å; S93-Q95 PolarHBondContact OG-N 3.04Å; S93-Q95 VanDerWaalsContact OG-N 3.15Å
96A92.6Very high94.2Very high6 Ų632.3 Ų32.35%0.0518%0.179CC..SBendtrans-67.3142179.800000112.3F22 S90 S93 E94 K101F22-A96 HydrophobicContact CB-CB 4.26Å; F22-A96 HydrophobicContact CD2-CB 3.76Å; F22-A96 HydrophobicContact CE2-CB 4.3Å; F22-A96 HydrophobicContact CG-CB 3.99Å; S90-A96 WeakPolarHBondContact O-CB 3.23Å; S93-A96 PolarHBondContact O-N 3.45Å; E94-A96 VanDerWaalsContact C-N 3.32Å; A96-K101 HydrophobicContact CB-CG 4.31Å
97C92.3Very high94.3Very high46 Ų4637.7 Ų37.731%0.31120%0.199SC..  trans-66.6147.4-178.960.60000111.9S99 L100 K101C97-S99 VanDerWaalsContact C-N 3.34Å; C97-S99 PolarHBondContact O-N 3.3Å; C97-L100 PolarHBondContact O-N 2.96Å; C97-L100 WeakPolarHBondContact SG-CB 3.44Å; C97-K101 PolarHBondContact O-N 2.94Å
98P91.4Very high94.4Very high74 Ų7436.6 Ų36.648%0.48119%0.187SC..Hα-helixtrans-55.2-44.2-179.5-26.834000114.5L100 K101 I102 M175P98-L100 VanDerWaalsContact C-N 3.3Å; P98-L100 PolarHBondContact O-N 3.36Å; P98-K101 PolarHBondContact O-N 3.21Å; P98-K101 VanDerWaalsContact O-N 3.14Å; P98-I102 VanDerWaalsContact O-CG1 3.3Å; P98-I102 WeakPolarHBondContact O-CG1 3.34Å; P98-I102 PolarHBondContact O-N 3.18Å; P98-M175 HydrophobicContact CB-CE 3.77Å; P98-M175 HydrophobicContact CB-SD 3.8Å; P98-M175 HydrophobicContact CG-CE 3.82Å; P98-M175 HydrophobicContact CG-SD 4.42Å
99S93Very high94.4Very high63 Ų6338.3 Ų38.344%0.44119%0.194SC..Hα-helixtrans-59.7-40.8-178.856.70000112.4C97 I102 E103C97-S99 VanDerWaalsContact C-N 3.34Å; C97-S99 PolarHBondContact O-N 3.3Å; S99-I102 PolarHBondContact O-N 2.85Å; S99-E103 WeakPolarHBondContact O-CB 3.29Å; S99-E103 PolarHBondContact O-N 3.49Å
100L94.2Very high94.6Very high36 Ų3638.7 Ų38.719%0.18820%0.195CC..Hα-helixtrans-65.2-42.6176.9-17769.4000111.4F22 V91 C97 P98 E103 Y104F22-L100 HydrophobicContact CD2-CD2 4.12Å; F22-L100 HydrophobicContact CE2-CD2 3.54Å; V91-L100 HydrophobicContact CG2-CD2 4.09Å; V91-L100 HydrophobicContact CG2-CG 4.17Å; C97-L100 PolarHBondContact O-N 2.96Å; C97-L100 WeakPolarHBondContact SG-CB 3.44Å; P98-L100 VanDerWaalsContact C-N 3.3Å; P98-L100 PolarHBondContact O-N 3.36Å; L100-E103 PolarHBondContact O-N 3.33Å; L100-Y104 HydrophobicContact CD1-CD2 3.82Å; L100-Y104 HydrophobicContact CD1-CE2 3.59Å; L100-Y104 HydrophobicContact CG-CD2 4.15Å; L100-Y104 HydrophobicContact CG-CE2 4.29Å; L100-Y104 WeakPolarHBondContact O-CD2 3.2Å; L100-Y104 PolarHBondContact O-N 3.12Å; L100-Y104 VanDerWaalsContact O-N 3.07Å
101K94.4Very high94.7Very high1 Ų139.6 Ų39.60%0.00420%0.198CC..Hα-helixtrans-62.8-44.5177.8-67.2-165.8-178.9-163.90111.7V91 S93 A96 C97 P98 E103 Y104 A105 M175 F178V91-K101 WeakPolarHBondContact O-CE 3.28Å; S93-K101 WeakPolarHBondContact O-CE 3.15Å; S93-K101 PolarHBondContact O-NZ 3.45Å; A96-K101 HydrophobicContact CB-CG 4.31Å; C97-K101 PolarHBondContact O-N 2.94Å; P98-K101 PolarHBondContact O-N 3.21Å; P98-K101 VanDerWaalsContact O-N 3.14Å; K101-E103 VanDerWaalsContact C-N 3.35Å; K101-Y104 PolarHBondContact O-N 3.4Å; K101-A105 VanDerWaalsContact O-CB 3.23Å; K101-A105 WeakPolarHBondContact O-CB 3.28Å; K101-A105 PolarHBondContact O-N 2.63Å; K101-M175 HydrophobicContact CB-SD 4.49Å; K101-M175 HydrophobicContact CD-CE 3.7Å; K101-M175 HydrophobicContact CD-SD 4.39Å; K101-M175 HydrophobicContact CG-CE 4.5Å; K101-F178 HydrophobicContact CB-CD1 3.87Å; K101-F178 HydrophobicContact CB-CE1 4.25Å; K101-F178 HydrophobicContact CD-CD1 4.09Å; K101-F178 HydrophobicContact CG-CD1 4.12Å; K101-F178 PolarHBondContact NZ-O 2.95Å
102I95.2Very high94.7Very high10 Ų1042.9 Ų42.95%0.05122%0.216CC..Hα-helixtrans-61.1-45.3177.9-68.3169.2000110.3P98 S99 Y104 A105 F106 F161 F164 E165 M168 F174P98-I102 VanDerWaalsContact O-CG1 3.3Å; P98-I102 WeakPolarHBondContact O-CG1 3.34Å; P98-I102 PolarHBondContact O-N 3.18Å; S99-I102 PolarHBondContact O-N 2.85Å; I102-Y104 PolarHBondContact O-N 2.76Å; I102-A105 PolarHBondContact O-N 3.28Å; I102-F106 WeakPolarHBondContact O-CB 3.19Å; I102-F106 PolarHBondContact O-N 2.82Å; I102-F161 HydrophobicContact CG2-CE2 4.09Å; I102-F161 HydrophobicContact CG2-CZ 4.38Å; I102-F164 HydrophobicContact CG2-CD1 3.93Å; I102-F164 HydrophobicContact CG2-CE1 4.06Å; I102-E165 HydrophobicContact CD1-CG 4.41Å; I102-E165 HydrophobicContact CG2-CB 4Å; I102-E165 HydrophobicContact CG2-CG 4.22Å; I102-M168 HydrophobicContact CD1-CB 3.96Å; I102-M168 HydrophobicContact CG1-CB 3.92Å; I102-M168 HydrophobicContact CG1-CG 4.46Å; I102-F174 HydrophobicContact CG1-CE1 3.97Å
103E96.1Very high94.7Very high72 Ų7247.6 Ų47.634%0.33624%0.238SC..Hα-helixtrans-57.8-48.1177.2-171.7-175.4167.200112.6S99 L100 K101 F106 R107 F161S99-E103 WeakPolarHBondContact O-CB 3.29Å; S99-E103 PolarHBondContact O-N 3.49Å; L100-E103 PolarHBondContact O-N 3.33Å; K101-E103 VanDerWaalsContact C-N 3.35Å; E103-F106 WeakPolarHBondContact O-CB 3.34Å; E103-F106 PolarHBondContact O-N 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.33Å; E103-R107 PolarHBondContact O-N 3.46Å; E103-R107 IonicContact OE1-CZ 3.23Å; E103-R107 IonicContact OE1-NE 3.09Å; E103-R107 IonicContact OE1-NH2 2.69Å; E103-R107 PolarHBondContact OE1-NH2 3.09Å; E103-F161 HydrophobicContact CB-CE2 4.27Å; E103-F161 HydrophobicContact CB-CZ 4.36Å
104Y96.5Very high94.9Very high49 Ų4950.6 Ų50.619%0.19225%0.253CS..Hα-helixtrans-71.5-34.9179-86.8-89.6000113V73 F74 V91 L100 K101 I102 F106 R107 I108V73-Y104 HydrophobicContact CG1-CD1 3.76Å; V73-Y104 HydrophobicContact CG1-CE1 4.05Å; F74-Y104 HydrophobicContact CD1-CD1 4.39Å; F74-Y104 AromaticContact CD1-CE1 3.82Å; F74-Y104 HydrophobicContact CD1-CE1 3.82Å; F74-Y104 AromaticContact CE1-CD1 3.51Å; F74-Y104 HydrophobicContact CE1-CD1 3.51Å; F74-Y104 AromaticContact CE1-CE1 3.13Å; F74-Y104 HydrophobicContact CE1-CE1 3.13Å; F74-Y104 HydrophobicContact CE1-CG 4.43Å; F74-Y104 AromaticContact CE1-CZ 3.82Å; F74-Y104 AromaticContact CE2-CD1 3.79Å; F74-Y104 HydrophobicContact CE2-CD1 3.79Å; F74-Y104 HydrophobicContact CE2-CE1 4.19Å; F74-Y104 AromaticContact CZ-CD1 3.15Å; F74-Y104 HydrophobicContact CZ-CD1 3.15Å; F74-Y104 AromaticContact CZ-CE1 3.37Å; F74-Y104 HydrophobicContact CZ-CE1 3.37Å; F74-Y104 AromaticContact CZ-CG 3.93Å; F74-Y104 HydrophobicContact CZ-CG 3.93Å; V91-Y104 HydrophobicContact CB-CD2 4.43Å; V91-Y104 HydrophobicContact CB-CG 4.43Å; V91-Y104 HydrophobicContact CG1-CD1 4.44Å; V91-Y104 HydrophobicContact CG1-CD2 3.97Å; V91-Y104 HydrophobicContact CG1-CG 3.75Å; V91-Y104 HydrophobicContact CG2-CD1 4.24Å; V91-Y104 HydrophobicContact CG2-CD2 3.54Å; V91-Y104 HydrophobicContact CG2-CE1 4.24Å; V91-Y104 HydrophobicContact CG2-CE2 3.55Å; V91-Y104 HydrophobicContact CG2-CG 3.89Å; L100-Y104 HydrophobicContact CD1-CD2 3.82Å; L100-Y104 HydrophobicContact CD1-CE2 3.59Å; L100-Y104 HydrophobicContact CG-CD2 4.15Å; L100-Y104 HydrophobicContact CG-CE2 4.29Å; L100-Y104 WeakPolarHBondContact O-CD2 3.2Å; L100-Y104 PolarHBondContact O-N 3.12Å; L100-Y104 VanDerWaalsContact O-N 3.07Å; K101-Y104 PolarHBondContact O-N 3.4Å; I102-Y104 PolarHBondContact O-N 2.76Å; Y104-F106 VanDerWaalsContact C-N 3.32Å; Y104-R107 PolarHBondContact O-N 3.03Å; Y104-I108 WeakPolarHBondContact O-CB 3.47Å; Y104-I108 WeakPolarHBondContact O-CD1 3.34Å; Y104-I108 VanDerWaalsContact O-CG1 3.27Å; Y104-I108 WeakPolarHBondContact O-CG1 3.21Å; Y104-I108 PolarHBondContact O-N 2.97Å
105A95.9Very high95.2Very high0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-62.7-42.817500000111.3K101 I102 R107 I108 Y109 F164 F174 F178K101-A105 VanDerWaalsContact O-CB 3.23Å; K101-A105 WeakPolarHBondContact O-CB 3.28Å; K101-A105 PolarHBondContact O-N 2.63Å; I102-A105 PolarHBondContact O-N 3.28Å; A105-R107 PolarHBondContact O-N 2.97Å; A105-I108 PolarHBondContact O-N 2.85Å; A105-I108 VanDerWaalsContact O-N 3.11Å; A105-Y109 HydrophobicContact CB-CE2 4.33Å; A105-Y109 WeakPolarHBondContact O-CB 3.2Å; A105-Y109 WeakPolarHBondContact O-CD2 3.48Å; A105-Y109 VanDerWaalsContact O-CG 3.28Å; A105-Y109 PolarHBondContact O-N 2.8Å; A105-F164 HydrophobicContact CB-CE1 4.25Å; A105-F164 HydrophobicContact CB-CZ 4.3Å; A105-F174 HydrophobicContact CB-CE2 4.03Å; A105-F174 HydrophobicContact CB-CZ 3.48Å; A105-F174 VanDerWaalsContact CB-CZ 3.48Å; A105-F178 HydrophobicContact CB-CD2 3.88Å; A105-F178 HydrophobicContact CB-CE1 4.46Å; A105-F178 HydrophobicContact CB-CE2 3.36Å; A105-F178 HydrophobicContact CB-CZ 3.69Å
106F97.2Very high95.5Very high15 Ų1544.3 Ų44.37%0.06623%0.233CC..Hα-helixtrans-55.2-50.6173.9-173.6-96.5000111.3I102 E103 Y104 I108 Y109 D110 G115 I117 F161 F164I102-F106 WeakPolarHBondContact O-CB 3.19Å; I102-F106 PolarHBondContact O-N 2.82Å; E103-F106 WeakPolarHBondContact O-CB 3.34Å; E103-F106 PolarHBondContact O-N 3.32Å; Y104-F106 VanDerWaalsContact C-N 3.32Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 2.97Å; F106-Y109 PolarHBondContact O-N 3.27Å; F106-D110 WeakPolarHBondContact O-CB 3.35Å; F106-D110 PolarHBondContact O-N 3.03Å; F106-G115 WeakPolarHBondContact CE1-O 3.42Å; F106-G115 WeakPolarHBondContact CZ-O 3.43Å; F106-I117 HydrophobicContact CD2-CD1 3.52Å; F106-I117 HydrophobicContact CD2-CG1 3.92Å; F106-I117 HydrophobicContact CE2-CD1 3.79Å; F106-I117 HydrophobicContact CE2-CG1 3.73Å; F106-I117 HydrophobicContact CG-CD1 4.36Å; F106-I117 HydrophobicContact CZ-CG1 4.34Å; F106-F161 HydrophobicContact CB-CD2 4.04Å; F106-F161 HydrophobicContact CB-CE2 4.31Å; F106-F161 HydrophobicContact CD1-CD2 4.1Å; F106-F161 HydrophobicContact CD2-CD2 4.13Å; F106-F161 HydrophobicContact CE1-CB 4.35Å; F106-F161 HydrophobicContact CE2-CB 4.35Å; F106-F161 AromaticContact CG-CD2 3.82Å; F106-F161 HydrophobicContact CG-CD2 3.82Å; F106-F161 HydrophobicContact CZ-CB 4.19Å; F106-F164 HydrophobicContact CB-CD1 3.92Å; F106-F164 HydrophobicContact CB-CE1 4.01Å; F106-F164 HydrophobicContact CD2-CB 3.69Å; F106-F164 AromaticContact CD2-CD1 3.7Å; F106-F164 HydrophobicContact CD2-CD1 3.7Å; F106-F164 HydrophobicContact CD2-CD2 4.36Å; F106-F164 HydrophobicContact CD2-CE1 4.42Å; F106-F164 AromaticContact CD2-CG 3.65Å; F106-F164 HydrophobicContact CD2-CG 3.65Å; F106-F164 HydrophobicContact CE2-CB 3.97Å; F106-F164 HydrophobicContact CE2-CG 4.35Å; F106-F164 HydrophobicContact CG-CD1 4.3Å
107R97.5Very high95.7Very high115 Ų11544 Ų4443%0.43423%0.231SC..Hα-helixtrans-62.3-33.7176.6-63.7178.8-170.6-164.54.6113.3R69 V73 E103 Y104 A105 Y109R69-R107 PolarHBondContact NH2-O 2.98Å; V73-R107 HydrophobicContact CG1-CB 4.03Å; V73-R107 HydrophobicContact CG2-CB 4.03Å; V73-R107 WeakPolarHBondContact CG2-O 3.43Å; E103-R107 WeakPolarHBondContact O-CG 3.33Å; E103-R107 PolarHBondContact O-N 3.46Å; E103-R107 IonicContact OE1-CZ 3.23Å; E103-R107 IonicContact OE1-NE 3.09Å; E103-R107 IonicContact OE1-NH2 2.69Å; E103-R107 PolarHBondContact OE1-NH2 3.09Å; Y104-R107 PolarHBondContact O-N 3.03Å; A105-R107 PolarHBondContact O-N 2.97Å; R107-Y109 VanDerWaalsContact C-N 3.28Å
108I97.1Very high95.9Very high3 Ų343.1 Ų43.12%0.01522%0.223CC..Hα-helixtrans-71.1-27.3176.1-73.9162.3000111.4F66 R69 I70 V73 F92 Y104 A105 F106 F178F66-I108 HydrophobicContact CB-CG2 4.05Å; F66-I108 HydrophobicContact CG-CG2 4.42Å; R69-I108 HydrophobicContact CB-CG2 3.97Å; R69-I108 WeakPolarHBondContact CB-O 3.44Å; R69-I108 PolarHBondContact NH1-O 3.22Å; I70-I108 HydrophobicContact CG1-CD1 3.9Å; I70-I108 HydrophobicContact CG1-CG1 4.33Å; I70-I108 HydrophobicContact CG1-CG2 4.43Å; V73-I108 HydrophobicContact CB-CG1 4.33Å; V73-I108 HydrophobicContact CG2-CG1 3.97Å; F92-I108 HydrophobicContact CZ-CD1 4.01Å; Y104-I108 WeakPolarHBondContact O-CB 3.47Å; Y104-I108 WeakPolarHBondContact O-CD1 3.34Å; Y104-I108 VanDerWaalsContact O-CG1 3.27Å; Y104-I108 WeakPolarHBondContact O-CG1 3.21Å; Y104-I108 PolarHBondContact O-N 2.97Å; A105-I108 PolarHBondContact O-N 2.85Å; A105-I108 VanDerWaalsContact O-N 3.11Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 2.97Å; I108-F178 HydrophobicContact CD1-CE2 4.27Å; I108-F178 HydrophobicContact CD1-CZ 3.85Å
109Y96.8Very high96.1Very high35 Ų3543.4 Ų43.414%0.13722%0.218CC..Hα-helixtrans-95.1-28.7-175.9-70.8-22.4000114.3F66 A105 F106 R107 F111 I125 F164F66-Y109 HydrophobicContact CD1-CD1 4.32Å; F66-Y109 HydrophobicContact CD1-CE1 4.09Å; F66-Y109 HydrophobicContact CD2-CE1 4.4Å; F66-Y109 HydrophobicContact CE1-CD1 4.09Å; F66-Y109 AromaticContact CE1-CE1 3.8Å; F66-Y109 HydrophobicContact CE1-CE1 3.8Å; F66-Y109 HydrophobicContact CE2-CE1 4.14Å; F66-Y109 HydrophobicContact CG-CE1 4.38Å; F66-Y109 AromaticContact CZ-CE1 3.84Å; F66-Y109 HydrophobicContact CZ-CE1 3.84Å; A105-Y109 HydrophobicContact CB-CE2 4.33Å; A105-Y109 WeakPolarHBondContact O-CB 3.2Å; A105-Y109 WeakPolarHBondContact O-CD2 3.48Å; A105-Y109 VanDerWaalsContact O-CG 3.28Å; A105-Y109 PolarHBondContact O-N 2.8Å; F106-Y109 PolarHBondContact O-N 3.27Å; R107-Y109 VanDerWaalsContact C-N 3.28Å; Y109-F111 WeakPolarHBondContact O-CD2 3.44Å; Y109-F111 VanDerWaalsContact O-CE2 3.25Å; Y109-F111 WeakPolarHBondContact O-CE2 3.11Å; Y109-F111 PolarHBondContact O-N 3.03Å; Y109-F111 VanDerWaalsContact O-N 3.08Å; Y109-I125 HydrophobicContact CD1-CD1 3.87Å; Y109-I125 HydrophobicContact CD1-CG1 3.87Å; Y109-I125 HydrophobicContact CD2-CD1 4.25Å; Y109-I125 HydrophobicContact CE1-CG1 4.49Å; Y109-I125 HydrophobicContact CE1-CG2 4.38Å; Y109-I125 HydrophobicContact CG-CD1 3.63Å; Y109-I125 HydrophobicContact CG-CG1 4.18Å; Y109-F164 AromaticContact CD2-CE2 3.95Å; Y109-F164 HydrophobicContact CD2-CE2 3.95Å; Y109-F164 AromaticContact CD2-CZ 3.74Å; Y109-F164 HydrophobicContact CD2-CZ 3.74Å; Y109-F164 HydrophobicContact CE2-CE2 4.45Å; Y109-F164 HydrophobicContact CE2-CZ 4.08Å
110D97.6Very high96.2Very high12 Ų1246 Ų466%0.06422%0.223CC..  trans-7191.1171.8168.84000110.7R69 F106 N112 E113 N114 G115 F116 I117R69-D110 VanDerWaalsContact CZ-O 3.31Å; R69-D110 PolarHBondContact NH1-O 3.31Å; R69-D110 PolarHBondContact NH2-O 3.31Å; F106-D110 WeakPolarHBondContact O-CB 3.35Å; F106-D110 PolarHBondContact O-N 3.03Å; D110-N112 PolarHBondContact OD1-OD1 2.82Å; D110-E113 WeakPolarHBondContact OD1-CA 3.45Å; D110-E113 PolarHBondContact OD1-N 3.23Å; D110-E113 WeakPolarHBondContact OD2-CA 3.48Å; D110-N114 PolarHBondContact OD1-N 2.79Å; D110-N114 VanDerWaalsContact OD1-N 3.09Å; D110-N114 PolarHBondContact OD2-N 3.33Å; D110-G115 WeakPolarHBondContact OD2-CA 3.35Å; D110-G115 PolarHBondContact OD2-N 2.71Å; D110-F116 WeakPolarHBondContact CB-O 3.46Å; D110-F116 VanDerWaalsContact CG-O 3.23Å; D110-I117 HydrophobicContact CB-CG1 4.41Å
111F96.6Very high96.3Very high27 Ų2744.4 Ų44.412%0.11821%0.214CC..SBendtrans-74-28.4-173.8-67.3-101.1000114.6F66 R69 Y109 E113 D121 R124 I125 R128F66-F111 HydrophobicContact CD1-CZ 4.32Å; F66-F111 HydrophobicContact CE1-CZ 4.35Å; R69-F111 VanDerWaalsContact CD-CE1 3.48Å; R69-F111 HydrophobicContact CG-CD1 3.95Å; R69-F111 HydrophobicContact CG-CE1 3.35Å; R69-F111 HydrophobicContact CG-CZ 3.93Å; R69-F111 VanDerWaalsContact NH1-CD2 3.28Å; R69-F111 VanDerWaalsContact NH1-N 3.19Å; Y109-F111 WeakPolarHBondContact O-CD2 3.44Å; Y109-F111 VanDerWaalsContact O-CE2 3.25Å; Y109-F111 WeakPolarHBondContact O-CE2 3.11Å; Y109-F111 PolarHBondContact O-N 3.03Å; Y109-F111 VanDerWaalsContact O-N 3.08Å; F111-E113 VanDerWaalsContact C-N 3.34Å; F111-D121 WeakPolarHBondContact CA-OD1 3.38Å; F111-D121 WeakPolarHBondContact CB-OD1 3.3Å; F111-D121 HydrophobicContact CD2-CB 4.15Å; F111-D121 WeakPolarHBondContact CD2-OD1 3.27Å; F111-D121 PolarHBondContact N-OD1 2.94Å; F111-R124 HydrophobicContact CD2-CB 4.15Å; F111-R124 HydrophobicContact CE2-CB 3.95Å; F111-R124 HydrophobicContact CZ-CB 4.22Å; F111-I125 HydrophobicContact CE2-CG1 3.85Å; F111-R128 VanDerWaalsContact CE1-CZ 3.43Å
112N95.6Very high96.4Very high74 Ų7445 Ų4540%0.39622%0.217SC..SBendtrans-90.3-2.4-18063.323.6000112.8D110 N114 D118D110-N112 PolarHBondContact OD1-OD1 2.82Å; N112-N114 PolarHBondContact ND2-ND2 3.17Å; N112-N114 PolarHBondContact O-N 3.43Å; N112-N114 WeakPolarHBondContact OD1-CB 3.47Å; N112-N114 PolarHBondContact OD1-N 3.29Å; N112-N114 VanDerWaalsContact OD1-N 3.12Å; N112-N114 PolarHBondContact OD1-ND2 3.15Å; N112-N114 PolarHBondContact OD1-OD1 2.85Å; N112-D118 PolarHBondContact ND2-OD2 2.9Å
113E95.1Very high96.3Very high106 Ų10646.7 Ų46.750%0.49523%0.225SC..  trans59.833.2178.3-58.2176.8176.700111.9R72 D110 F111R72-E113 IonicContact CZ-OE1 3.15Å; R72-E113 IonicContact NE-OE1 2.76Å; R72-E113 PolarHBondContact NE-OE1 2.69Å; R72-E113 IonicContact NH2-OE1 2.78Å; R72-E113 PolarHBondContact NH2-OE1 2.89Å; R72-E113 IonicContact NH2-OE2 3.44Å; R72-E113 PolarHBondContact NH2-OE2 3.5Å; R72-E113 VanDerWaalsContact NH2-OE2 3.09Å; D110-E113 WeakPolarHBondContact OD1-CA 3.45Å; D110-E113 PolarHBondContact OD1-N 3.23Å; D110-E113 WeakPolarHBondContact OD2-CA 3.48Å; F111-E113 VanDerWaalsContact C-N 3.34Å
114N96Very high96.2Very high73 Ų7348.7 Ų48.739%0.3923%0.229SC..SBendtrans-90.2-6.8-177.476.74.3000113.5D110 N112 F116D110-N114 PolarHBondContact OD1-N 2.79Å; D110-N114 VanDerWaalsContact OD1-N 3.09Å; D110-N114 PolarHBondContact OD2-N 3.33Å; N112-N114 PolarHBondContact ND2-ND2 3.17Å; N112-N114 PolarHBondContact O-N 3.43Å; N112-N114 WeakPolarHBondContact OD1-CB 3.47Å; N112-N114 PolarHBondContact OD1-N 3.29Å; N112-N114 VanDerWaalsContact OD1-N 3.12Å; N112-N114 PolarHBondContact OD1-ND2 3.15Å; N112-N114 PolarHBondContact OD1-OD1 2.85Å; N114-F116 WeakPolarHBondContact OD1-CA 3.44Å; N114-F116 WeakPolarHBondContact OD1-CB 3.15Å; N114-F116 PolarHBondContact OD1-N 3.2Å; N114-F116 PolarHBondContact OD1-O 3.34Å; N114-F116 VanDerWaalsContact OD1-O 3.08Å
115G96.8Very high96.1Very high37 Ų3747.1 Ų47.138%0.38122%0.224SC..SBendtrans88.510.9-177.700000114.9F106 D110F106-G115 WeakPolarHBondContact CE1-O 3.42Å; F106-G115 WeakPolarHBondContact CZ-O 3.43Å; D110-G115 WeakPolarHBondContact OD2-CA 3.35Å; D110-G115 PolarHBondContact OD2-N 2.71Å
116F97.6Very high96Very high76 Ų7648.1 Ų48.133%0.33323%0.23SC..SBendtrans-135159.5177.7-59.5-91.1000109.3D110 N114 M158 L159D110-F116 WeakPolarHBondContact CB-O 3.46Å; D110-F116 VanDerWaalsContact CG-O 3.23Å; N114-F116 WeakPolarHBondContact OD1-CA 3.44Å; N114-F116 WeakPolarHBondContact OD1-CB 3.15Å; N114-F116 PolarHBondContact OD1-N 3.2Å; N114-F116 PolarHBondContact OD1-O 3.34Å; N114-F116 VanDerWaalsContact OD1-O 3.08Å; F116-M158 HydrophobicContact CB-CB 4.16Å; F116-M158 HydrophobicContact CB-CG 4.26Å; F116-M158 HydrophobicContact CB-SD 3.95Å; F116-M158 HydrophobicContact CD1-CG 4.02Å; F116-M158 HydrophobicContact CD1-SD 3.77Å; F116-M158 HydrophobicContact CD2-SD 4.22Å; F116-M158 HydrophobicContact CE1-SD 4.34Å; F116-M158 HydrophobicContact CG-CG 4.32Å; F116-M158 HydrophobicContact CG-SD 3.71Å; F116-L159 WeakPolarHBondContact CA-O 3.47Å
117I97.5Very high95.8Very high1 Ų149.6 Ų49.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-107.5101.4167.1-60.4170.2000106.4F106 D110 D121 L122 I125 M158 L159 F164F106-I117 HydrophobicContact CD2-CD1 3.52Å; F106-I117 HydrophobicContact CD2-CG1 3.92Å; F106-I117 HydrophobicContact CE2-CD1 3.79Å; F106-I117 HydrophobicContact CE2-CG1 3.73Å; F106-I117 HydrophobicContact CG-CD1 4.36Å; F106-I117 HydrophobicContact CZ-CG1 4.34Å; D110-I117 HydrophobicContact CB-CG1 4.41Å; I117-D121 HydrophobicContact CG2-CB 3.76Å; I117-L122 HydrophobicContact CG2-CD2 3.77Å; I117-L122 HydrophobicContact CG2-CG 3.9Å; I117-I125 HydrophobicContact CG2-CD1 4.18Å; I117-M158 CarbonylContact O-C 3.5Å; I117-M158 WeakPolarHBondContact O-CA 3.38Å; I117-L159 HydrophobicContact CB-CB 4.28Å; I117-L159 PolarHBondContact N-O 2.79Å; I117-L159 PolarHBondContact O-N 2.9Å; I117-F164 HydrophobicContact CD1-CD2 3.5Å; I117-F164 HydrophobicContact CD1-CE2 3.69Å; I117-F164 HydrophobicContact CD1-CG 4.06Å; I117-F164 HydrophobicContact CD1-CZ 4.38Å
118D96Very high95.6Very high27 Ų2747.4 Ų47.414%0.14423%0.229CC..EExtended strand (participates in β ladder)trans-86.5-179.3-178.766.430.8000112.8N112 E120 D121 L122 M158N112-D118 PolarHBondContact ND2-OD2 2.9Å; D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.15Å; D118-E120 WeakPolarHBondContact OD1-CA 3.27Å; D118-E120 WeakPolarHBondContact OD1-CB 3.47Å; D118-E120 PolarHBondContact OD1-N 2.74Å; D118-D121 PolarHBondContact N-OD2 3.3Å; D118-D121 WeakPolarHBondContact O-CB 3.47Å; D118-D121 PolarHBondContact O-N 3.05Å; D118-D121 PolarHBondContact OD1-N 2.95Å; D118-L122 WeakPolarHBondContact O-CG 3.33Å; D118-L122 PolarHBondContact O-N 3.1Å; D118-M158 HydrophobicContact CB-CB 4.17Å
119E95.5Very high95.3Very high80 Ų8052.4 Ų52.437%0.37426%0.256SS..Hα-helixtrans-55.7-42.6177.7-163.3-174.4166.300112.4D121 L122 Q123 T144E119-D121 VanDerWaalsContact C-N 3.35Å; E119-D121 PolarHBondContact O-N 2.89Å; E119-L122 PolarHBondContact O-N 3.38Å; E119-Q123 WeakPolarHBondContact O-CB 3.25Å; E119-Q123 VanDerWaalsContact O-CG 3.23Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.09Å; E119-Q123 PolarHBondContact OE1-NE2 2.9Å; E119-T144 HydrophobicContact CB-CG2 4.44Å; E119-T144 HydrophobicContact CG-CG2 3.53Å
120E95Very high94.9Very high118 Ų11855.3 Ų55.355%0.55127%0.273SS*.Hα-helixtrans-66.9-38.4-179.9-65.4-169.8-174.200111.4D118 R124D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.15Å; D118-E120 WeakPolarHBondContact OD1-CA 3.27Å; D118-E120 WeakPolarHBondContact OD1-CB 3.47Å; D118-E120 PolarHBondContact OD1-N 2.74Å; E120-R124 VanDerWaalsContact O-CG 3.28Å; E120-R124 WeakPolarHBondContact O-CG 3.37Å; E120-R124 PolarHBondContact O-N 3.18Å; E120-R124 IonicContact OE2-NH2 3.18Å
121D96.9Very high94.3Very high1 Ų161.8 Ų61.81%0.00531%0.308CS..Hα-helixtrans-62.5-49174.7-68.2-39.4000111.3F111 I117 D118 E119 Q123 R124 I125F111-D121 WeakPolarHBondContact CA-OD1 3.38Å; F111-D121 WeakPolarHBondContact CB-OD1 3.3Å; F111-D121 HydrophobicContact CD2-CB 4.15Å; F111-D121 WeakPolarHBondContact CD2-OD1 3.27Å; F111-D121 PolarHBondContact N-OD1 2.94Å; I117-D121 HydrophobicContact CG2-CB 3.76Å; D118-D121 PolarHBondContact N-OD2 3.3Å; D118-D121 WeakPolarHBondContact O-CB 3.47Å; D118-D121 PolarHBondContact O-N 3.05Å; D118-D121 PolarHBondContact OD1-N 2.95Å; E119-D121 VanDerWaalsContact C-N 3.35Å; E119-D121 PolarHBondContact O-N 2.89Å; D121-Q123 VanDerWaalsContact C-N 3.33Å; D121-Q123 PolarHBondContact O-N 2.78Å; D121-R124 WeakPolarHBondContact O-CB 3.48Å; D121-R124 PolarHBondContact O-N 3.36Å; D121-R124 VanDerWaalsContact O-N 3.14Å; D121-I125 VanDerWaalsContact O-CG1 3.24Å; D121-I125 WeakPolarHBondContact O-CG1 3.47Å; D121-I125 PolarHBondContact O-N 2.93Å
122L95.4Very high93.4Very high13 Ų1362.3 Ų62.37%0.06832%0.315CS..Hα-helixtrans-57.6-45.7177.1-72.8176.1000111.8I117 D118 E119 R124 I125 I126 T144 V147 L148 L159I117-L122 HydrophobicContact CG2-CD2 3.77Å; I117-L122 HydrophobicContact CG2-CG 3.9Å; D118-L122 WeakPolarHBondContact O-CG 3.33Å; D118-L122 PolarHBondContact O-N 3.1Å; E119-L122 PolarHBondContact O-N 3.38Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 3.4Å; L122-I125 HydrophobicContact CD2-CD1 4.42Å; L122-I125 WeakPolarHBondContact O-CB 3.3Å; L122-I125 PolarHBondContact O-N 2.66Å; L122-I125 VanDerWaalsContact O-N 3.17Å; L122-I126 WeakPolarHBondContact O-CG1 3.37Å; L122-I126 PolarHBondContact O-N 2.85Å; L122-T144 HydrophobicContact CB-CG2 3.72Å; L122-T144 HydrophobicContact CD1-CG2 3.95Å; L122-V147 HydrophobicContact CD1-CB 4.49Å; L122-V147 HydrophobicContact CD1-CG1 4.15Å; L122-V147 HydrophobicContact CD2-CG1 3.92Å; L122-L148 HydrophobicContact CD1-CD1 4.35Å; L122-L148 HydrophobicContact CD1-CD2 3.63Å; L122-L148 HydrophobicContact CD1-CG 3.68Å; L122-L159 HydrophobicContact CD2-CD1 4.46Å
123Q94.4Very high92.3Very high47 Ų4766.1 Ų66.122%0.2234%0.335CS..Hα-helixtrans-58.8-44.5176.6-72.9-177.613.300111.4E119 D121 I125 I126 L127 L140 T144E119-Q123 WeakPolarHBondContact O-CB 3.25Å; E119-Q123 VanDerWaalsContact O-CG 3.23Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.09Å; E119-Q123 PolarHBondContact OE1-NE2 2.9Å; D121-Q123 VanDerWaalsContact C-N 3.33Å; D121-Q123 PolarHBondContact O-N 2.78Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-I125 PolarHBondContact O-N 3.48Å; Q123-I126 PolarHBondContact O-N 2.79Å; Q123-L127 VanDerWaalsContact O-CG 3.29Å; Q123-L127 WeakPolarHBondContact O-CG 3.41Å; Q123-L127 PolarHBondContact O-N 3.32Å; Q123-L140 HydrophobicContact CB-CD1 4Å; Q123-L140 HydrophobicContact CB-CD2 4.06Å; Q123-L140 HydrophobicContact CB-CG 4.1Å; Q123-L140 HydrophobicContact CG-CD1 4.08Å; Q123-L140 HydrophobicContact CG-CD2 4.1Å; Q123-L140 HydrophobicContact CG-CG 3.82Å; Q123-T144 HydrophobicContact CG-CG2 4.22Å; Q123-T144 VanDerWaalsContact CG-OG1 3.3Å; Q123-T144 WeakPolarHBondContact CG-OG1 3.46Å
124R94.4Very high91.3Very high113 Ų11368.5 Ų68.543%0.42635%0.351SS..Hα-helixtrans-63.5-38.1176.3-72.7173.7-174.4-1749.6112.5F111 E120 D121 L122 R128F111-R124 HydrophobicContact CD2-CB 4.15Å; F111-R124 HydrophobicContact CE2-CB 3.95Å; F111-R124 HydrophobicContact CZ-CB 4.22Å; E120-R124 VanDerWaalsContact O-CG 3.28Å; E120-R124 WeakPolarHBondContact O-CG 3.37Å; E120-R124 PolarHBondContact O-N 3.18Å; E120-R124 IonicContact OE2-NH2 3.18Å; D121-R124 WeakPolarHBondContact O-CB 3.48Å; D121-R124 PolarHBondContact O-N 3.36Å; D121-R124 VanDerWaalsContact O-N 3.14Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 3.4Å; R124-R128 VanDerWaalsContact O-CB 3.28Å; R124-R128 WeakPolarHBondContact O-CB 3.32Å; R124-R128 WeakPolarHBondContact O-CG 3.48Å; R124-R128 PolarHBondContact O-N 3.48Å
125I94.3Very high90.7Very high16 Ų1666.5 Ų66.58%0.08234%0.34CS..Hα-helixtrans-62.3-48.8175.6-64.6162.2000109.9F66 Y109 F111 I117 D121 L122 Q123 R128 L129F66-I125 HydrophobicContact CE1-CB 4.47Å; F66-I125 HydrophobicContact CE1-CG1 4.3Å; F66-I125 HydrophobicContact CE1-CG2 4.33Å; F66-I125 HydrophobicContact CZ-CG2 3.99Å; Y109-I125 HydrophobicContact CD1-CD1 3.87Å; Y109-I125 HydrophobicContact CD1-CG1 3.87Å; Y109-I125 HydrophobicContact CD2-CD1 4.25Å; Y109-I125 HydrophobicContact CE1-CG1 4.49Å; Y109-I125 HydrophobicContact CE1-CG2 4.38Å; Y109-I125 HydrophobicContact CG-CD1 3.63Å; Y109-I125 HydrophobicContact CG-CG1 4.18Å; F111-I125 HydrophobicContact CE2-CG1 3.85Å; I117-I125 HydrophobicContact CG2-CD1 4.18Å; D121-I125 VanDerWaalsContact O-CG1 3.24Å; D121-I125 WeakPolarHBondContact O-CG1 3.47Å; D121-I125 PolarHBondContact O-N 2.93Å; L122-I125 HydrophobicContact CD2-CD1 4.42Å; L122-I125 WeakPolarHBondContact O-CB 3.3Å; L122-I125 PolarHBondContact O-N 2.66Å; L122-I125 VanDerWaalsContact O-N 3.17Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-I125 PolarHBondContact O-N 3.48Å; I125-R128 PolarHBondContact O-N 3.37Å; I125-L129 HydrophobicContact CG2-CD1 3.85Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.36Å
126I93.1Very high90.3Very high22 Ų2268 Ų6811%0.11335%0.345CS..Hα-helixtrans-60.4-50-179.3-69.4163.1000110.8L122 Q123 R128 L129 L130 M135 L140 L143L122-I126 WeakPolarHBondContact O-CG1 3.37Å; L122-I126 PolarHBondContact O-N 2.85Å; Q123-I126 PolarHBondContact O-N 2.79Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.39Å; I126-L129 PolarHBondContact O-N 2.85Å; I126-L130 HydrophobicContact CG2-CD1 3.75Å; I126-L130 WeakPolarHBondContact O-CB 3.5Å; I126-L130 WeakPolarHBondContact O-CG 3.42Å; I126-L130 PolarHBondContact O-N 2.99Å; I126-M135 HydrophobicContact CG2-CE 4.05Å; I126-M135 HydrophobicContact CG2-SD 4.29Å; I126-L140 HydrophobicContact CB-CD1 4.03Å; I126-L140 HydrophobicContact CG2-CD1 3.82Å; I126-L143 HydrophobicContact CD1-CB 3.93Å; I126-L143 HydrophobicContact CG2-CD1 3.95Å
127L93.3Very high89.9Confident46 Ų4671.9 Ų71.924%0.24136%0.364CS..Hα-helixtrans-58.4-42.6178.3-70.5169.4000111.9Q123 L130 N131 S132 M135 L140Q123-L127 VanDerWaalsContact O-CG 3.29Å; Q123-L127 WeakPolarHBondContact O-CG 3.41Å; Q123-L127 PolarHBondContact O-N 3.32Å; L127-L130 PolarHBondContact O-N 2.95Å; L127-N131 PolarHBondContact O-N 3.34Å; L127-S132 WeakPolarHBondContact CD2-O 3.44Å; L127-S132 PolarHBondContact O-N 3.18Å; L127-M135 HydrophobicContact CD2-CB 4.08Å; L127-M135 HydrophobicContact CD2-CG 4.24Å; L127-M135 HydrophobicContact CD2-SD 3.95Å; L127-L140 HydrophobicContact CD1-CD2 3.99Å; L127-L140 HydrophobicContact CD2-CD1 4.29Å; L127-L140 HydrophobicContact CD2-CD2 4.21Å; L127-L140 HydrophobicContact CG-CD1 4.02Å; L127-L140 HydrophobicContact CG-CD2 4.16Å
128R92.6Very high89.7Confident68 Ų6877.6 Ų77.626%0.25739%0.394SS..Hα-helixtrans-66.8-37.9178-78.7175.8179.8-125.87.5113.1P65 F66 D68 F111 R124 I125 I126P65-R128 HydrophobicContact CB-CB 4.2Å; P65-R128 WeakPolarHBondContact CB-O 3.34Å; P65-R128 PolarHBondContact O-NH1 3.16Å; F66-R128 HydrophobicContact CE1-CB 4.02Å; F66-R128 HydrophobicContact CZ-CB 4.07Å; D68-R128 IonicContact OD1-CZ 3.51Å; D68-R128 IonicContact OD1-NH1 3.5Å; D68-R128 PolarHBondContact OD1-NH1 2.87Å; D68-R128 IonicContact OD1-NH2 3.81Å; D68-R128 IonicContact OD2-CZ 3.63Å; D68-R128 IonicContact OD2-NH1 3.95Å; D68-R128 PolarHBondContact OD2-NH1 2.92Å; D68-R128 IonicContact OD2-NH2 2.66Å; D68-R128 PolarHBondContact OD2-NH2 3.37Å; F111-R128 VanDerWaalsContact CE1-CZ 3.43Å; R124-R128 VanDerWaalsContact O-CB 3.28Å; R124-R128 WeakPolarHBondContact O-CB 3.32Å; R124-R128 WeakPolarHBondContact O-CG 3.48Å; R124-R128 PolarHBondContact O-N 3.48Å; I125-R128 PolarHBondContact O-N 3.37Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.39Å
129L90.4Very high89.5Confident108 Ų10880.1 Ų80.157%0.56541%0.408SS*.Hα-helixtrans-71.6-37.8177.6-73.9173.3000112.3F66 I125 I126 N131F66-L129 HydrophobicContact CE2-CD2 3.72Å; F66-L129 HydrophobicContact CE2-CG 4.16Å; F66-L129 HydrophobicContact CZ-CD2 4.07Å; F66-L129 HydrophobicContact CZ-CG 3.98Å; I125-L129 HydrophobicContact CG2-CD1 3.85Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.36Å; I126-L129 PolarHBondContact O-N 2.85Å; L129-N131 VanDerWaalsContact C-N 3.31Å
130L88.8Confident89.4Confident97 Ų9777.1 Ų77.151%0.50839%0.394SS..Hα-helixtrans-84-10.2-179.8-64.5175.5000112.8I126 L127 S132 M135 L143I126-L130 HydrophobicContact CG2-CD1 3.75Å; I126-L130 WeakPolarHBondContact O-CB 3.5Å; I126-L130 WeakPolarHBondContact O-CG 3.42Å; I126-L130 PolarHBondContact O-N 2.99Å; L127-L130 PolarHBondContact O-N 2.95Å; L130-S132 PolarHBondContact O-N 3.01Å; L130-M135 HydrophobicContact CB-SD 3.96Å; L130-M135 HydrophobicContact CD1-CE 3.44Å; L130-M135 VanDerWaalsContact CD1-CE 3.44Å; L130-M135 HydrophobicContact CD1-SD 3.3Å; L130-M135 WeakPolarHBondContact CD1-SD 3.45Å; L130-M135 HydrophobicContact CG-SD 4.24Å; L130-L143 HydrophobicContact CD1-CD1 4.36Å
131N84.4Confident89.3Confident148 Ų14874.1 Ų74.179%0.79138%0.384SS*.THydrogen-bonded Turntrans47.842.9-177.7-172.468.1000111.3L127 L129L127-N131 PolarHBondContact O-N 3.34Å; L129-N131 VanDerWaalsContact C-N 3.31Å
132S77.7Confident89.2Confident37 Ų3778.3 Ų78.326%0.25941%0.406SS..  trans-134.7103.4-174-175.10000108.8L127 L130L127-S132 WeakPolarHBondContact CD2-O 3.44Å; L127-S132 PolarHBondContact O-N 3.18Å; L130-S132 PolarHBondContact O-N 3.01Å
133D73.4Confident89.1Confident154 Ų15480.7 Ų80.782%0.82442%0.418SS*.THydrogen-bonded Turntrans-73.8-14.9168.3-62.7-34.7000111.3
134D74Confident89.1Confident157 Ų15778.4 Ų78.484%0.8441%0.408SS*.THydrogen-bonded Turntrans-96.818.9-174.9-64.6-39.2000113.2
135M82.7Confident89.1Confident30 Ų3075 Ų7515%0.14840%0.402CS..  trans-67.2138.5172.6-70.4-175.663.300110.6I126 L127 L130 E137 L139 L143I126-M135 HydrophobicContact CG2-CE 4.05Å; I126-M135 HydrophobicContact CG2-SD 4.29Å; L127-M135 HydrophobicContact CD2-CB 4.08Å; L127-M135 HydrophobicContact CD2-CG 4.24Å; L127-M135 HydrophobicContact CD2-SD 3.95Å; L130-M135 HydrophobicContact CB-SD 3.96Å; L130-M135 HydrophobicContact CD1-CE 3.44Å; L130-M135 VanDerWaalsContact CD1-CE 3.44Å; L130-M135 HydrophobicContact CD1-SD 3.3Å; L130-M135 WeakPolarHBondContact CD1-SD 3.45Å; L130-M135 HydrophobicContact CG-SD 4.24Å; M135-E137 PolarHBondContact O-N 3.34Å; M135-L139 HydrophobicContact CE-CD2 3.89Å; M135-L139 HydrophobicContact CE-CG 3.98Å; M135-L143 HydrophobicContact CE-CD1 3.86Å
136S88.7Confident89.1Confident69 Ų6979.6 Ų79.648%0.48342%0.422SS..  trans-65.3136.5171.855.10000110.2D138 L139 L140S136-D138 PolarHBondContact O-N 2.95Å; S136-L139 PolarHBondContact O-N 3.12Å; S136-L139 WeakPolarHBondContact OG-CB 3.33Å; S136-L140 PolarHBondContact O-N 3.35Å; S136-L140 VanDerWaalsContact O-N 3.09Å
137E89.7Confident89Confident157 Ų15781.1 Ų81.173%0.73443%0.433SS*.Hα-helixtrans-51.9-39.4177.5-170.5173.9-177.300111.9M135 L139 L140 T141M135-E137 PolarHBondContact O-N 3.34Å; E137-L139 PolarHBondContact O-N 2.85Å; E137-L140 PolarHBondContact O-N 3.15Å; E137-T141 WeakPolarHBondContact O-CB 3.31Å; E137-T141 PolarHBondContact O-N 3.45Å; E137-T141 PolarHBondContact O-OG1 3.4Å
138D92.2Very high89.1Confident122 Ų12279.4 Ų79.465%0.65242%0.423SS*.Hα-helixtrans-58.8-45.8175.5-62.5-22.6000112.5S136 T141 D142S136-D138 PolarHBondContact O-N 2.95Å; D138-T141 PolarHBondContact O-N 3.13Å; D138-D142 WeakPolarHBondContact O-CB 3.46Å; D138-D142 PolarHBondContact O-N 2.95Å
139L91.8Very high89.2Confident80 Ų8081.9 Ų81.942%0.41944%0.442SS..Hα-helixtrans-70.1-38.4-178.4176.762.5000111M135 S136 E137 D142 L143M135-L139 HydrophobicContact CE-CD2 3.89Å; M135-L139 HydrophobicContact CE-CG 3.98Å; S136-L139 PolarHBondContact O-N 3.12Å; S136-L139 WeakPolarHBondContact OG-CB 3.33Å; E137-L139 PolarHBondContact O-N 2.85Å; L139-D142 PolarHBondContact O-N 3.06Å; L139-L143 HydrophobicContact CD1-CD1 4.22Å; L139-L143 HydrophobicContact CD1-CG 4.15Å; L139-L143 HydrophobicContact CG-CD1 4.15Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 VanDerWaalsContact O-CG 3.27Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 2.87Å
140L93.2Very high89.2Confident17 Ų1784 Ų849%0.08945%0.449CS..Hα-helixtrans-64.2-44.5177.1-178.761.3000111.1Q123 I126 L127 S136 E137 T144Q123-L140 HydrophobicContact CB-CD1 4Å; Q123-L140 HydrophobicContact CB-CD2 4.06Å; Q123-L140 HydrophobicContact CB-CG 4.1Å; Q123-L140 HydrophobicContact CG-CD1 4.08Å; Q123-L140 HydrophobicContact CG-CD2 4.1Å; Q123-L140 HydrophobicContact CG-CG 3.82Å; I126-L140 HydrophobicContact CB-CD1 4.03Å; I126-L140 HydrophobicContact CG2-CD1 3.82Å; L127-L140 HydrophobicContact CD1-CD2 3.99Å; L127-L140 HydrophobicContact CD2-CD1 4.29Å; L127-L140 HydrophobicContact CD2-CD2 4.21Å; L127-L140 HydrophobicContact CG-CD1 4.02Å; L127-L140 HydrophobicContact CG-CD2 4.16Å; S136-L140 PolarHBondContact O-N 3.35Å; S136-L140 VanDerWaalsContact O-N 3.09Å; E137-L140 PolarHBondContact O-N 3.15Å; L140-T144 WeakPolarHBondContact O-CB 3.21Å; L140-T144 PolarHBondContact O-N 3.1Å; L140-T144 PolarHBondContact O-OG1 3.15Å
141T93.6Very high89.4Confident55 Ų5580.2 Ų80.234%0.33743%0.43SS..Hα-helixtrans-64-45.5176.1-530000110.7E137 D138 L143 T144 S145E137-T141 WeakPolarHBondContact O-CB 3.31Å; E137-T141 PolarHBondContact O-N 3.45Å; E137-T141 PolarHBondContact O-OG1 3.4Å; D138-T141 PolarHBondContact O-N 3.13Å; T141-L143 PolarHBondContact O-N 2.97Å; T141-T144 PolarHBondContact O-N 3.4Å; T141-S145 WeakPolarHBondContact O-CB 3.48Å; T141-S145 PolarHBondContact O-N 2.76Å; T141-S145 PolarHBondContact O-OG 2.99Å
142D94.6Very high89.9Confident89 Ų8973.7 Ų73.748%0.47640%0.395SS..Hα-helixtrans-58.8-51.3177.8-75.4-16.2000111.2D138 L139 T144 S145 H146D138-D142 WeakPolarHBondContact O-CB 3.46Å; D138-D142 PolarHBondContact O-N 2.95Å; L139-D142 PolarHBondContact O-N 3.06Å; D142-T144 VanDerWaalsContact C-N 3.32Å; D142-T144 PolarHBondContact O-N 2.05Å; D142-S145 PolarHBondContact O-N 2.97Å; D142-S145 PolarHBondContact O-OG 3.22Å; D142-H146 PolarHBondContact O-CD2 3.24Å; D142-H146 PolarHBondContact O-N 3.32Å
143L93.6Very high90.6Very high62 Ų6277.2 Ų77.233%0.32541%0.411SS..Hα-helixtrans-60.7-40.9178.3-71.5173.7000112.3I126 L130 M135 L139 T141 H146 V147I126-L143 HydrophobicContact CD1-CB 3.93Å; I126-L143 HydrophobicContact CG2-CD1 3.95Å; L130-L143 HydrophobicContact CD1-CD1 4.36Å; M135-L143 HydrophobicContact CE-CD1 3.86Å; L139-L143 HydrophobicContact CD1-CD1 4.22Å; L139-L143 HydrophobicContact CD1-CG 4.15Å; L139-L143 HydrophobicContact CG-CD1 4.15Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 VanDerWaalsContact O-CG 3.27Å; L139-L143 WeakPolarHBondContact O-CG 3.38Å; L139-L143 PolarHBondContact O-N 2.87Å; T141-L143 PolarHBondContact O-N 2.97Å; L143-H146 PolarHBondContact O-N 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 2.94Å; L143-V147 PolarHBondContact O-N 3.28Å; L143-V147 VanDerWaalsContact O-N 3.15Å
144T94.7Very high91.6Very high0 Ų074.8 Ų74.80%040%0.398CS..Hα-helixtrans-65.6-45.9178.8-560000111.1E119 L122 Q123 L140 T141 D142 H146 V147 L148E119-T144 HydrophobicContact CB-CG2 4.44Å; E119-T144 HydrophobicContact CG-CG2 3.53Å; L122-T144 HydrophobicContact CB-CG2 3.72Å; L122-T144 HydrophobicContact CD1-CG2 3.95Å; Q123-T144 HydrophobicContact CG-CG2 4.22Å; Q123-T144 VanDerWaalsContact CG-OG1 3.3Å; Q123-T144 WeakPolarHBondContact CG-OG1 3.46Å; L140-T144 WeakPolarHBondContact O-CB 3.21Å; L140-T144 PolarHBondContact O-N 3.1Å; L140-T144 PolarHBondContact O-OG1 3.15Å; T141-T144 PolarHBondContact O-N 3.4Å; D142-T144 VanDerWaalsContact C-N 3.32Å; D142-T144 PolarHBondContact O-N 2.05Å; T144-H146 VanDerWaalsContact C-N 3.26Å; T144-H146 PolarHBondContact O-N 2.65Å; T144-V147 PolarHBondContact O-N 3.45Å; T144-V147 VanDerWaalsContact O-N 3.16Å; T144-L148 HydrophobicContact CG2-CD1 4.3Å; T144-L148 PolarHBondContact O-N 3.1Å
145S94.4Very high92.5Very high42 Ų4273 Ų7329%0.29439%0.388SS..Hα-helixtrans-61.1-35.9176.478.80000112.2T141 D142 N149T141-S145 WeakPolarHBondContact O-CB 3.48Å; T141-S145 PolarHBondContact O-N 2.76Å; T141-S145 PolarHBondContact O-OG 2.99Å; D142-S145 PolarHBondContact O-N 2.97Å; D142-S145 PolarHBondContact O-OG 3.22Å; S145-N149 VanDerWaalsContact O-CB 3.27Å; S145-N149 WeakPolarHBondContact O-CB 3.29Å; S145-N149 PolarHBondContact O-N 2.82Å; S145-N149 PolarHBondContact O-ND2 3.04Å
146H93.8Very high93.1Very high112 Ų11274.4 Ų74.452%0.51940%0.397SS..Hα-helixtrans-63.8-44175.1-81.4-60.2000112.1D142 L143 T144 E150D142-H146 PolarHBondContact O-CD2 3.24Å; D142-H146 PolarHBondContact O-N 3.32Å; L143-H146 PolarHBondContact O-N 3.27Å; T144-H146 VanDerWaalsContact C-N 3.26Å; T144-H146 PolarHBondContact O-N 2.65Å; H146-E150 WeakPolarHBondContact O-CG 3.47Å; H146-E150 PolarHBondContact O-N 3.32Å
147V92.4Very high93.3Very high54 Ų5475.9 Ų75.933%0.32740%0.399SS..Hα-helixtrans-63.5-45.6177.7174.20000111.2L122 L143 T144 E150 S151L122-V147 HydrophobicContact CD1-CB 4.49Å; L122-V147 HydrophobicContact CD1-CG1 4.15Å; L122-V147 HydrophobicContact CD2-CG1 3.92Å; L143-V147 WeakPolarHBondContact O-CG2 2.94Å; L143-V147 PolarHBondContact O-N 3.28Å; L143-V147 VanDerWaalsContact O-N 3.15Å; T144-V147 PolarHBondContact O-N 3.45Å; T144-V147 VanDerWaalsContact O-N 3.16Å; V147-E150 PolarHBondContact O-N 3.07Å; V147-S151 WeakPolarHBondContact O-CB 2.97Å; V147-S151 PolarHBondContact O-N 3.33Å; V147-S151 PolarHBondContact O-OG 2.83Å; V147-S151 VanDerWaalsContact O-OG 3.13Å
148L94.9Very high93.6Very high9 Ų971 Ų715%0.04738%0.377CS..Hα-helixtrans-61.9-51177.6-72171.7000111L122 T144 E150 S151 D152 N157 L159L122-L148 HydrophobicContact CD1-CD1 4.35Å; L122-L148 HydrophobicContact CD1-CD2 3.63Å; L122-L148 HydrophobicContact CD1-CG 3.68Å; T144-L148 HydrophobicContact CG2-CD1 4.3Å; T144-L148 PolarHBondContact O-N 3.1Å; L148-E150 PolarHBondContact O-N 3.35Å; L148-S151 PolarHBondContact O-N 2.94Å; L148-D152 HydrophobicContact CB-CB 4.43Å; L148-D152 HydrophobicContact CD2-CB 4.28Å; L148-D152 WeakPolarHBondContact O-CB 3.21Å; L148-D152 PolarHBondContact O-N 2.69Å; L148-N157 HydrophobicContact CD1-CB 4.4Å; L148-L159 HydrophobicContact CD2-CD2 4.22Å; L148-L159 HydrophobicContact CD2-CG 4.31Å
149N93.7Very high93.9Very high121 Ų12165.4 Ų65.465%0.64735%0.347SS*.Hα-helixtrans-57-26.2179.5-75-39.2000114.2S145S145-N149 VanDerWaalsContact O-CB 3.27Å; S145-N149 WeakPolarHBondContact O-CB 3.29Å; S145-N149 PolarHBondContact O-N 2.82Å; S145-N149 PolarHBondContact O-ND2 3.04Å
150E91.9Very high94.1Very high153 Ų15363 Ų6372%0.71534%0.336SS*.Hα-helixtrans-87-25.5177.9-73-173.317500113.9H146 V147 L148H146-E150 WeakPolarHBondContact O-CG 3.47Å; H146-E150 PolarHBondContact O-N 3.32Å; V147-E150 PolarHBondContact O-N 3.07Å; L148-E150 PolarHBondContact O-N 3.35Å
151S92.2Very high94.3Very high16 Ų1665.6 Ų65.611%0.11235%0.347CS..Hα-helixtrans-123.1-33.7-163.6-520000114.4V147 L148 L153V147-S151 WeakPolarHBondContact O-CB 2.97Å; V147-S151 PolarHBondContact O-N 3.33Å; V147-S151 PolarHBondContact O-OG 2.83Å; V147-S151 VanDerWaalsContact O-OG 3.13Å; L148-S151 PolarHBondContact O-N 2.94Å; S151-L153 PolarHBondContact O-N 3.37Å
152D94.2Very high94.5Very high11 Ų1166.8 Ų66.86%0.05936%0.358CS..  trans-74.6112.5175.9178.4-4.2000108.8L148 D154 N155 D156 N157 L159L148-D152 HydrophobicContact CB-CB 4.43Å; L148-D152 HydrophobicContact CD2-CB 4.28Å; L148-D152 WeakPolarHBondContact O-CB 3.21Å; L148-D152 PolarHBondContact O-N 2.69Å; D152-D154 PolarHBondContact OD1-N 3.14Å; D152-N155 VanDerWaalsContact OD1-CA 3.26Å; D152-N155 WeakPolarHBondContact OD1-CA 3.42Å; D152-N155 PolarHBondContact OD1-N 2.82Å; D152-N155 VanDerWaalsContact OD2-CA 3.29Å; D152-N155 WeakPolarHBondContact OD2-CA 3.36Å; D152-D156 PolarHBondContact OD2-N 3.14Å; D152-N157 WeakPolarHBondContact OD2-CA 3.49Å; D152-N157 PolarHBondContact OD2-N 3.45Å; D152-L159 HydrophobicContact CB-CD2 3.95Å
153L92.7Very high94.6Very high111 Ų11163.1 Ų63.158%0.58134%0.338SS*.SBendtrans-94.5-25.3-173.4-62.7179.7000112.3S151 E163S151-L153 PolarHBondContact O-N 3.37Å; L153-E163 HydrophobicContact CB-CG 4.36Å; L153-E163 HydrophobicContact CD1-CG 4.27Å; L153-E163 HydrophobicContact CG-CG 4.16Å; L153-E163 PolarHBondContact N-OE1 3.19Å
154D95.2Very high94.7Very high104 Ų10460.6 Ų60.656%0.55632%0.324SS*.SBendtrans-103.5-6.6-179.273.715.6000114.3D152 D156 E163D152-D154 PolarHBondContact OD1-N 3.14Å; D154-D156 WeakPolarHBondContact OD1-CB 3.16Å; D154-D156 PolarHBondContact OD1-N 3.01Å; D154-E163 PolarHBondContact N-OE1 3.46Å
155N92Very high94.7Very high119 Ų11964.1 Ų64.164%0.63634%0.341SS*.  trans65.937.9176.2-52.7-97.9000113.6D152 N157D152-N155 VanDerWaalsContact OD1-CA 3.26Å; D152-N155 WeakPolarHBondContact OD1-CA 3.42Å; D152-N155 PolarHBondContact OD1-N 2.82Å; D152-N155 VanDerWaalsContact OD2-CA 3.29Å; D152-N155 WeakPolarHBondContact OD2-CA 3.36Å; N155-N157 VanDerWaalsContact C-N 3.32Å
156D95.5Very high94.6Very high60 Ų6066.1 Ų66.132%0.32135%0.345SS..SBendtrans-87.60.5174.176-3.3000113.9D152 D154 M158D152-D156 PolarHBondContact OD2-N 3.14Å; D154-D156 WeakPolarHBondContact OD1-CB 3.16Å; D154-D156 PolarHBondContact OD1-N 3.01Å; D156-M158 VanDerWaalsContact C-N 3.28Å; D156-M158 WeakPolarHBondContact OD1-CG 3.41Å; D156-M158 PolarHBondContact OD1-N 3.44Å; D156-M158 VanDerWaalsContact OD2-CG 3.22Å; D156-M158 WeakPolarHBondContact OD2-CG 3.44Å
157N93.9Very high94.5Very high99 Ų9961.5 Ų61.553%0.52933%0.327SS..SBendtrans65.622.9-176.2-52.3-69.6000114.3L148 D152 N155L148-N157 HydrophobicContact CD1-CB 4.4Å; D152-N157 WeakPolarHBondContact OD2-CA 3.49Å; D152-N157 PolarHBondContact OD2-N 3.45Å; N155-N157 VanDerWaalsContact C-N 3.32Å
158M96.3Very high94.4Very high55 Ų5560.6 Ų60.627%0.27132%0.32SS..EExtended strand (participates in β ladder)trans-137.4161.4169.957.7-171.284.400110.1F116 I117 D118 D156F116-M158 HydrophobicContact CB-CB 4.16Å; F116-M158 HydrophobicContact CB-CG 4.26Å; F116-M158 HydrophobicContact CB-SD 3.95Å; F116-M158 HydrophobicContact CD1-CG 4.02Å; F116-M158 HydrophobicContact CD1-SD 3.77Å; F116-M158 HydrophobicContact CD2-SD 4.22Å; F116-M158 HydrophobicContact CE1-SD 4.34Å; F116-M158 HydrophobicContact CG-CG 4.32Å; F116-M158 HydrophobicContact CG-SD 3.71Å; I117-M158 CarbonylContact O-C 3.5Å; I117-M158 WeakPolarHBondContact O-CA 3.38Å; D118-M158 HydrophobicContact CB-CB 4.17Å; D156-M158 VanDerWaalsContact C-N 3.28Å; D156-M158 WeakPolarHBondContact OD1-CG 3.41Å; D156-M158 PolarHBondContact OD1-N 3.44Å; D156-M158 VanDerWaalsContact OD2-CG 3.22Å; D156-M158 WeakPolarHBondContact OD2-CG 3.44Å
159L97Very high94.1Very high4 Ų464 Ų642%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-104.5115.4174.8-56.8179.2000108.9F116 I117 L122 L148 D152 E163F116-L159 WeakPolarHBondContact CA-O 3.47Å; I117-L159 HydrophobicContact CB-CB 4.28Å; I117-L159 PolarHBondContact N-O 2.79Å; I117-L159 PolarHBondContact O-N 2.9Å; L122-L159 HydrophobicContact CD2-CD1 4.46Å; L148-L159 HydrophobicContact CD2-CD2 4.22Å; L148-L159 HydrophobicContact CD2-CG 4.31Å; D152-L159 HydrophobicContact CB-CD2 3.95Å; L159-E163 HydrophobicContact CD2-CB 4.37Å
160S97.4Very high93.7Very high29 Ų2964.7 Ų64.720%0.20335%0.346CS..  trans-65.3163163.868.90000110.8S162 E163 F164S160-S162 PolarHBondContact O-N 3.06Å; S160-E163 VanDerWaalsContact CB-OE2 3.29Å; S160-E163 WeakPolarHBondContact CB-OE2 3.38Å; S160-E163 PolarHBondContact N-OE2 3.41Å; S160-E163 PolarHBondContact O-N 2.86Å; S160-E163 WeakPolarHBondContact OG-CG 3.24Å; S160-E163 PolarHBondContact OG-N 3.41Å; S160-E163 PolarHBondContact OG-OE2 3.08Å; S160-F164 WeakPolarHBondContact O-CB 3.48Å; S160-F164 PolarHBondContact O-N 2.64Å
161F97.2Very high93.4Very high72 Ų7259.5 Ų59.532%0.31633%0.326SS..Hα-helixtrans-55.3-39.1175.4178.3-107.1000112.5I102 E103 F106 F164 E165I102-F161 HydrophobicContact CG2-CE2 4.09Å; I102-F161 HydrophobicContact CG2-CZ 4.38Å; E103-F161 HydrophobicContact CB-CE2 4.27Å; E103-F161 HydrophobicContact CB-CZ 4.36Å; F106-F161 HydrophobicContact CB-CD2 4.04Å; F106-F161 HydrophobicContact CB-CE2 4.31Å; F106-F161 HydrophobicContact CD1-CD2 4.1Å; F106-F161 HydrophobicContact CD2-CD2 4.13Å; F106-F161 HydrophobicContact CE1-CB 4.35Å; F106-F161 HydrophobicContact CE2-CB 4.35Å; F106-F161 AromaticContact CG-CD2 3.82Å; F106-F161 HydrophobicContact CG-CD2 3.82Å; F106-F161 HydrophobicContact CZ-CB 4.19Å; F161-F164 PolarHBondContact O-N 2.79Å; F161-E165 VanDerWaalsContact O-CB 3.27Å; F161-E165 WeakPolarHBondContact O-CB 3.47Å; F161-E165 PolarHBondContact O-N 3.19Å
162S96.5Very high92.8Very high81 Ų8163.1 Ų63.157%0.56635%0.35SS*.Hα-helixtrans-67.8-37.5-179.8-64.90000112.9S160 H166S160-S162 PolarHBondContact O-N 3.06Å; S162-H166 WeakPolarHBondContact O-CB 3.19Å; S162-H166 PolarHBondContact O-N 3.49Å
163E96.4Very high92.3Very high11 Ų1168.3 Ų68.35%0.05138%0.378CS..Hα-helixtrans-71-43.3175.8-72.7161.1139.900111.4L153 D154 L159 S160 E165 H166 A167L153-E163 HydrophobicContact CB-CG 4.36Å; L153-E163 HydrophobicContact CD1-CG 4.27Å; L153-E163 HydrophobicContact CG-CG 4.16Å; L153-E163 PolarHBondContact N-OE1 3.19Å; D154-E163 PolarHBondContact N-OE1 3.46Å; L159-E163 HydrophobicContact CD2-CB 4.37Å; S160-E163 VanDerWaalsContact CB-OE2 3.29Å; S160-E163 WeakPolarHBondContact CB-OE2 3.38Å; S160-E163 PolarHBondContact N-OE2 3.41Å; S160-E163 PolarHBondContact O-N 2.86Å; S160-E163 WeakPolarHBondContact OG-CG 3.24Å; S160-E163 PolarHBondContact OG-N 3.41Å; S160-E163 PolarHBondContact OG-OE2 3.08Å; E163-E165 PolarHBondContact O-N 3.04Å; E163-H166 PolarHBondContact O-N 3.45Å; E163-A167 WeakPolarHBondContact O-CB 3.39Å; E163-A167 PolarHBondContact O-N 2.68Å
164F95.6Very high91.8Very high9 Ų963.7 Ų63.74%0.03935%0.353CS..Hα-helixtrans-60.4-45.1174-176-98.9000111.7I102 A105 F106 Y109 I117 S160 F161 H166 A167 M168I102-F164 HydrophobicContact CG2-CD1 3.93Å; I102-F164 HydrophobicContact CG2-CE1 4.06Å; A105-F164 HydrophobicContact CB-CE1 4.25Å; A105-F164 HydrophobicContact CB-CZ 4.3Å; F106-F164 HydrophobicContact CB-CD1 3.92Å; F106-F164 HydrophobicContact CB-CE1 4.01Å; F106-F164 HydrophobicContact CD2-CB 3.69Å; F106-F164 AromaticContact CD2-CD1 3.7Å; F106-F164 HydrophobicContact CD2-CD1 3.7Å; F106-F164 HydrophobicContact CD2-CD2 4.36Å; F106-F164 HydrophobicContact CD2-CE1 4.42Å; F106-F164 AromaticContact CD2-CG 3.65Å; F106-F164 HydrophobicContact CD2-CG 3.65Å; F106-F164 HydrophobicContact CE2-CB 3.97Å; F106-F164 HydrophobicContact CE2-CG 4.35Å; F106-F164 HydrophobicContact CG-CD1 4.3Å; Y109-F164 AromaticContact CD2-CE2 3.95Å; Y109-F164 HydrophobicContact CD2-CE2 3.95Å; Y109-F164 AromaticContact CD2-CZ 3.74Å; Y109-F164 HydrophobicContact CD2-CZ 3.74Å; Y109-F164 HydrophobicContact CE2-CE2 4.45Å; Y109-F164 HydrophobicContact CE2-CZ 4.08Å; I117-F164 HydrophobicContact CD1-CD2 3.5Å; I117-F164 HydrophobicContact CD1-CE2 3.69Å; I117-F164 HydrophobicContact CD1-CG 4.06Å; I117-F164 HydrophobicContact CD1-CZ 4.38Å; S160-F164 WeakPolarHBondContact O-CB 3.48Å; S160-F164 PolarHBondContact O-N 2.64Å; F161-F164 PolarHBondContact O-N 2.79Å; F164-H166 PolarHBondContact O-N 3.15Å; F164-A167 PolarHBondContact O-N 3.24Å; F164-M168 HydrophobicContact CD1-CG 4.04Å; F164-M168 HydrophobicContact CE1-CG 3.62Å; F164-M168 HydrophobicContact CE2-CE 4.08Å; F164-M168 HydrophobicContact CE2-CG 4.14Å; F164-M168 HydrophobicContact CE2-SD 4.26Å; F164-M168 HydrophobicContact CG-CG 4.46Å; F164-M168 HydrophobicContact CZ-CE 4.4Å; F164-M168 HydrophobicContact CZ-CG 3.67Å; F164-M168 HydrophobicContact CZ-SD 3.98Å; F164-M168 WeakPolarHBondContact O-CB 3.42Å; F164-M168 VanDerWaalsContact O-CG 3.31Å; F164-M168 WeakPolarHBondContact O-CG 3.31Å; F164-M168 PolarHBondContact O-N 3.26Å
165E94.7Very high91.1Very high75 Ų7560.7 Ų60.735%0.3534%0.336SS..Hα-helixtrans-59.6-45.4175.7-180176.8-136.700111.6I102 F161 E163 A167 M168 A169I102-E165 HydrophobicContact CD1-CG 4.41Å; I102-E165 HydrophobicContact CG2-CB 4Å; I102-E165 HydrophobicContact CG2-CG 4.22Å; F161-E165 VanDerWaalsContact O-CB 3.27Å; F161-E165 WeakPolarHBondContact O-CB 3.47Å; F161-E165 PolarHBondContact O-N 3.19Å; E163-E165 PolarHBondContact O-N 3.04Å; E165-A167 PolarHBondContact O-N 2.72Å; E165-M168 PolarHBondContact O-N 2.84Å; E165-A169 VanDerWaalsContact O-CB 3.3Å; E165-A169 WeakPolarHBondContact O-CB 3.42Å; E165-A169 PolarHBondContact O-N 2.81Å
166H92.5Very high90.5Very high83 Ų8359.7 Ų59.738%0.38433%0.33SS..Hα-helixtrans-63.2-40.5176.8-178.467.9000112.7S162 E163 F164 K170S162-H166 WeakPolarHBondContact O-CB 3.19Å; S162-H166 PolarHBondContact O-N 3.49Å; E163-H166 PolarHBondContact O-N 3.45Å; F164-H166 PolarHBondContact O-N 3.15Å; H166-K170 VanDerWaalsContact CE1-CE 3.43Å; H166-K170 WeakPolarHBondContact CE1-CE 3.22Å; H166-K170 VanDerWaalsContact NE2-CE 3.3Å; H166-K170 WeakPolarHBondContact NE2-CE 3.29Å; H166-K170 PolarHBondContact NE2-NZ 3.32Å; H166-K170 WeakPolarHBondContact O-CG 3.27Å; H166-K170 PolarHBondContact O-N 3.13Å
167A92.4Very high90Very high16 Ų1661 Ų6113%0.13234%0.344CS..Hα-helixtrans-64.2-46.4175.800000111.4E163 F164 E165 A169 K170 S171E163-A167 WeakPolarHBondContact O-CB 3.39Å; E163-A167 PolarHBondContact O-N 2.68Å; F164-A167 PolarHBondContact O-N 3.24Å; E165-A167 PolarHBondContact O-N 2.72Å; A167-A169 PolarHBondContact O-N 3.46Å; A167-K170 PolarHBondContact O-N 2.8Å; A167-S171 PolarHBondContact O-N 3.07Å
168M91.3Very high89.6Confident35 Ų3556.9 Ų56.917%0.17232%0.322CS..Hα-helixtrans-67.4-35.2178.8-67.4-54.6101.800112.4I102 F164 E165 K170 S171 F174I102-M168 HydrophobicContact CD1-CB 3.96Å; I102-M168 HydrophobicContact CG1-CB 3.92Å; I102-M168 HydrophobicContact CG1-CG 4.46Å; F164-M168 HydrophobicContact CD1-CG 4.04Å; F164-M168 HydrophobicContact CE1-CG 3.62Å; F164-M168 HydrophobicContact CE2-CE 4.08Å; F164-M168 HydrophobicContact CE2-CG 4.14Å; F164-M168 HydrophobicContact CE2-SD 4.26Å; F164-M168 HydrophobicContact CG-CG 4.46Å; F164-M168 HydrophobicContact CZ-CE 4.4Å; F164-M168 HydrophobicContact CZ-CG 3.67Å; F164-M168 HydrophobicContact CZ-SD 3.98Å; F164-M168 WeakPolarHBondContact O-CB 3.42Å; F164-M168 VanDerWaalsContact O-CG 3.31Å; F164-M168 WeakPolarHBondContact O-CG 3.31Å; F164-M168 PolarHBondContact O-N 3.26Å; E165-M168 PolarHBondContact O-N 2.84Å; M168-K170 PolarHBondContact O-N 3.29Å; M168-S171 CarbonylContact O-C 3.59Å; M168-S171 PolarHBondContact O-N 3.25Å; M168-F174 HydrophobicContact CB-CD1 4.12Å; M168-F174 HydrophobicContact CB-CE1 4.42Å; M168-F174 HydrophobicContact CG-CD1 4.19Å; M168-F174 HydrophobicContact CG-CE1 4.26Å; M168-F174 HydrophobicContact CG-CG 4.35Å; M168-F174 HydrophobicContact CG-CZ 4.48Å; M168-F174 HydrophobicContact SD-CB 3.97Å; M168-F174 HydrophobicContact SD-CD1 3.87Å; M168-F174 HydrophobicContact SD-CD2 3.4Å; M168-F174 WeakPolarHBondContact SD-CD2 3.15Å; M168-F174 HydrophobicContact SD-CE1 4.24Å; M168-F174 HydrophobicContact SD-CE2 3.8Å; M168-F174 HydrophobicContact SD-CG 3.44Å; M168-F174 WeakPolarHBondContact SD-CG 3.18Å; M168-F174 HydrophobicContact SD-CZ 4.21Å
169A87.2Confident89.2Confident79 Ų7957.4 Ų57.465%0.65332%0.321SS*.Hα-helixtrans-63.4-25.9175.600000113.1E165 A167E165-A169 VanDerWaalsContact O-CB 3.3Å; E165-A169 WeakPolarHBondContact O-CB 3.42Å; E165-A169 PolarHBondContact O-N 2.81Å; A167-A169 PolarHBondContact O-N 3.46Å
170K86.1Confident88.6Confident136 Ų13658.2 Ų58.259%0.59133%0.325SS*.THydrogen-bonded Turntrans-85.6-10.5173.7-67.4173.7-178.4173.10113.5H166 A167 M168 P172H166-K170 VanDerWaalsContact CE1-CE 3.43Å; H166-K170 WeakPolarHBondContact CE1-CE 3.22Å; H166-K170 VanDerWaalsContact NE2-CE 3.3Å; H166-K170 WeakPolarHBondContact NE2-CE 3.29Å; H166-K170 PolarHBondContact NE2-NZ 3.32Å; H166-K170 WeakPolarHBondContact O-CG 3.27Å; H166-K170 PolarHBondContact O-N 3.13Å; A167-K170 PolarHBondContact O-N 2.8Å; M168-K170 PolarHBondContact O-N 3.29Å; K170-P172 WeakPolarHBondContact O-CD 3.21Å
171S85.7Confident87.8Confident44 Ų4464.1 Ų64.131%0.30835%0.349SS..  trans-108.286.3-178.7-172.80000110.9A167 M168 D173 F174A167-S171 PolarHBondContact O-N 3.07Å; M168-S171 CarbonylContact O-C 3.59Å; M168-S171 PolarHBondContact O-N 3.25Å; S171-D173 PolarHBondContact O-N 3.41Å; S171-D173 VanDerWaalsContact O-N 3.15Å; S171-F174 WeakPolarHBondContact O-CB 3.44Å; S171-F174 PolarHBondContact O-N 2.77Å; S171-F174 VanDerWaalsContact O-N 3.15Å
172P78.7Confident86.5Confident93 Ų9361.5 Ų61.560%0.60434%0.337SS*.Hα-helixtrans-61-25.3179.824.5-33.7000112.9K170 F174 M175K170-P172 WeakPolarHBondContact O-CD 3.21Å; P172-F174 VanDerWaalsContact C-N 3.32Å; P172-F174 PolarHBondContact O-N 3.03Å; P172-M175 PolarHBondContact O-N 3.08Å
173D85Confident84.9Confident120 Ų12059.4 Ų59.464%0.64232%0.317SS*.Hα-helixtrans-68.3-31.1179.1-68.9-25.9000112.6S171 M175 N176 S177S171-D173 PolarHBondContact O-N 3.41Å; S171-D173 VanDerWaalsContact O-N 3.15Å; D173-M175 VanDerWaalsContact C-N 3.27Å; D173-M175 PolarHBondContact O-N 3.03Å; D173-N176 PolarHBondContact O-N 3.3Å; D173-S177 PolarHBondContact O-N 3.33Å; D173-S177 PolarHBondContact O-OG 3.14Å
174F82.2Confident83Confident14 Ų1463.3 Ų63.36%0.06136%0.36CS..Hα-helixtrans-56.6-42.2177.3171.4-99.1000111.9I102 A105 M168 S171 P172 N176 S177 F178I102-F174 HydrophobicContact CG1-CE1 3.97Å; A105-F174 HydrophobicContact CB-CE2 4.03Å; A105-F174 HydrophobicContact CB-CZ 3.48Å; A105-F174 VanDerWaalsContact CB-CZ 3.48Å; M168-F174 HydrophobicContact CB-CD1 4.12Å; M168-F174 HydrophobicContact CB-CE1 4.42Å; M168-F174 HydrophobicContact CG-CD1 4.19Å; M168-F174 HydrophobicContact CG-CE1 4.26Å; M168-F174 HydrophobicContact CG-CG 4.35Å; M168-F174 HydrophobicContact CG-CZ 4.48Å; M168-F174 HydrophobicContact SD-CB 3.97Å; M168-F174 HydrophobicContact SD-CD1 3.87Å; M168-F174 HydrophobicContact SD-CD2 3.4Å; M168-F174 WeakPolarHBondContact SD-CD2 3.15Å; M168-F174 HydrophobicContact SD-CE1 4.24Å; M168-F174 HydrophobicContact SD-CE2 3.8Å; M168-F174 HydrophobicContact SD-CG 3.44Å; M168-F174 WeakPolarHBondContact SD-CG 3.18Å; M168-F174 HydrophobicContact SD-CZ 4.21Å; S171-F174 WeakPolarHBondContact O-CB 3.44Å; S171-F174 PolarHBondContact O-N 2.77Å; S171-F174 VanDerWaalsContact O-N 3.15Å; P172-F174 VanDerWaalsContact C-N 3.32Å; P172-F174 PolarHBondContact O-N 3.03Å; F174-N176 PolarHBondContact O-N 3.43Å; F174-S177 WeakPolarHBondContact CA-OG 3.43Å; F174-S177 PolarHBondContact O-N 2.88Å; F174-S177 VanDerWaalsContact O-N 3.14Å; F174-S177 PolarHBondContact O-OG 3.03Å; F174-S177 VanDerWaalsContact O-OG 3.06Å; F174-F178 HydrophobicContact CE1-CB 4.22Å; F174-F178 HydrophobicContact CE1-CG 4.5Å; F174-F178 HydrophobicContact CE2-CB 4.06Å; F174-F178 AromaticContact CE2-CD2 3.83Å; F174-F178 HydrophobicContact CE2-CD2 3.83Å; F174-F178 HydrophobicContact CE2-CG 4.21Å; F174-F178 HydrophobicContact CZ-CB 3.86Å; F174-F178 AromaticContact CZ-CD2 3.75Å; F174-F178 HydrophobicContact CZ-CD2 3.75Å; F174-F178 HydrophobicContact CZ-CE2 4.48Å; F174-F178 AromaticContact CZ-CG 3.84Å; F174-F178 HydrophobicContact CZ-CG 3.84Å; F174-F178 WeakPolarHBondContact O-CB 3.43Å; F174-F178 PolarHBondContact O-N 3.26Å
175M79.2Confident80.8Confident41 Ų4169.1 Ų69.120%0.20240%0.4CS..Hα-helixtrans-65.8-24.2-179.8-72.3-58.7-5400113.5P98 K101 P172 D173 R179P98-M175 HydrophobicContact CB-CE 3.77Å; P98-M175 HydrophobicContact CB-SD 3.8Å; P98-M175 HydrophobicContact CG-CE 3.82Å; P98-M175 HydrophobicContact CG-SD 4.42Å; K101-M175 HydrophobicContact CB-SD 4.49Å; K101-M175 HydrophobicContact CD-CE 3.7Å; K101-M175 HydrophobicContact CD-SD 4.39Å; K101-M175 HydrophobicContact CG-CE 4.5Å; P172-M175 PolarHBondContact O-N 3.08Å; D173-M175 VanDerWaalsContact C-N 3.27Å; D173-M175 PolarHBondContact O-N 3.03Å; M175-R179 PolarHBondContact O-NE 3.34Å
176N80.9Confident80.1Confident97 Ų9768.8 Ų68.852%0.51940%0.403SS..Hα-helixtrans-87.6-30.4175.4-66.3-34.7000111.9D173 F174 R179D173-N176 PolarHBondContact O-N 3.3Å; F174-N176 PolarHBondContact O-N 3.43Å; N176-R179 WeakPolarHBondContact O-CD 3.5Å; N176-R179 PolarHBondContact OD1-NH2 3.01Å
177S84Confident79.4Confident87 Ų8768.1 Ų68.161%0.60840%0.403SS*.Hα-helixtrans-82.5-30.5178.169.50000113.5D173 F174 R179D173-S177 PolarHBondContact O-N 3.33Å; D173-S177 PolarHBondContact O-OG 3.14Å; F174-S177 WeakPolarHBondContact CA-OG 3.43Å; F174-S177 PolarHBondContact O-N 2.88Å; F174-S177 VanDerWaalsContact O-N 3.14Å; F174-S177 PolarHBondContact O-OG 3.03Å; F174-S177 VanDerWaalsContact O-OG 3.06Å; S177-R179 PolarHBondContact O-N 2.83Å
178F86.2Confident78.7Confident14 Ų1470.9 Ų70.96%0.06142%0.419CS..SBendtrans-81.264.7178.6-156.8-91.4000111.6V91 F92 K101 A105 I108 F174V91-F178 HydrophobicContact CG1-CE1 4.05Å; F92-F178 HydrophobicContact CD1-CD1 4.08Å; F92-F178 AromaticContact CD1-CE1 3.9Å; F92-F178 HydrophobicContact CD1-CE1 3.9Å; F92-F178 HydrophobicContact CD1-CZ 4.38Å; F92-F178 HydrophobicContact CE1-CD1 4.02Å; F92-F178 HydrophobicContact CE1-CD2 4.5Å; F92-F178 AromaticContact CE1-CE1 3.55Å; F92-F178 HydrophobicContact CE1-CE1 3.55Å; F92-F178 HydrophobicContact CE1-CE2 4.06Å; F92-F178 HydrophobicContact CE1-CG 4.48Å; F92-F178 AromaticContact CE1-CZ 3.58Å; F92-F178 HydrophobicContact CE1-CZ 3.58Å; F92-F178 HydrophobicContact CZ-CE1 4.26Å; F92-F178 HydrophobicContact CZ-CZ 4.03Å; K101-F178 HydrophobicContact CB-CD1 3.87Å; K101-F178 HydrophobicContact CB-CE1 4.25Å; K101-F178 HydrophobicContact CD-CD1 4.09Å; K101-F178 HydrophobicContact CG-CD1 4.12Å; K101-F178 PolarHBondContact NZ-O 2.95Å; A105-F178 HydrophobicContact CB-CD2 3.88Å; A105-F178 HydrophobicContact CB-CE1 4.46Å; A105-F178 HydrophobicContact CB-CE2 3.36Å; A105-F178 HydrophobicContact CB-CZ 3.69Å; I108-F178 HydrophobicContact CD1-CE2 4.27Å; I108-F178 HydrophobicContact CD1-CZ 3.85Å; F174-F178 HydrophobicContact CE1-CB 4.22Å; F174-F178 HydrophobicContact CE1-CG 4.5Å; F174-F178 HydrophobicContact CE2-CB 4.06Å; F174-F178 AromaticContact CE2-CD2 3.83Å; F174-F178 HydrophobicContact CE2-CD2 3.83Å; F174-F178 HydrophobicContact CE2-CG 4.21Å; F174-F178 HydrophobicContact CZ-CB 3.86Å; F174-F178 AromaticContact CZ-CD2 3.75Å; F174-F178 HydrophobicContact CZ-CD2 3.75Å; F174-F178 HydrophobicContact CZ-CE2 4.48Å; F174-F178 AromaticContact CZ-CG 3.84Å; F174-F178 HydrophobicContact CZ-CG 3.84Å; F174-F178 WeakPolarHBondContact O-CB 3.43Å; F174-F178 PolarHBondContact O-N 3.26Å
179R87.7Confident77.9Confident66 Ų6673.1 Ų73.125%0.24943%0.433CS..  trans-144138.9-179.8-59.2179.8-172.7-164.6-0.7109.1E94 M175 N176 S177E94-R179 IonicContact OE1-CZ 3.7Å; E94-R179 IonicContact OE1-NH1 2.73Å; E94-R179 PolarHBondContact OE1-NH1 3.22Å; E94-R179 IonicContact OE1-NH2 3.82Å; E94-R179 IonicContact OE2-NH1 3.9Å; M175-R179 PolarHBondContact O-NE 3.34Å; N176-R179 WeakPolarHBondContact O-CD 3.5Å; N176-R179 PolarHBondContact OD1-NH2 3.01Å; S177-R179 PolarHBondContact O-N 2.83Å
180I84.8Confident77.4Confident20 Ų2072.7 Ų72.710%0.10342%0.419CS..  trans-131.1113.8172.5-60.3178.2000106.6A60 L61 I70 F92 F182A60-I180 HydrophobicContact CB-CG2 3.69Å; L61-I180 HydrophobicContact CD2-CD1 3.87Å; I70-I180 HydrophobicContact CD1-CD1 3.89Å; F92-I180 HydrophobicContact CB-CB 4Å; F92-I180 HydrophobicContact CB-CG1 4.44Å; F92-I180 HydrophobicContact CD1-CB 4.18Å; F92-I180 HydrophobicContact CD1-CD1 3.79Å; F92-I180 HydrophobicContact CD1-CG1 3.65Å; F92-I180 HydrophobicContact CD2-CD1 4.05Å; F92-I180 HydrophobicContact CD2-CG1 4.49Å; F92-I180 HydrophobicContact CE1-CD1 3.65Å; F92-I180 HydrophobicContact CE1-CG1 3.96Å; F92-I180 HydrophobicContact CE2-CD1 3.93Å; F92-I180 HydrophobicContact CG-CB 4.01Å; F92-I180 HydrophobicContact CG-CD1 3.99Å; F92-I180 HydrophobicContact CG-CG1 3.95Å; F92-I180 HydrophobicContact CZ-CD1 3.72Å; F92-I180 HydrophobicContact CZ-CG1 4.5Å; I180-F182 HydrophobicContact CB-CD2 3.77Å; I180-F182 HydrophobicContact CB-CE2 3.49Å; I180-F182 VanDerWaalsContact CB-CE2 3.49Å; I180-F182 HydrophobicContact CB-CZ 4.08Å; I180-F182 HydrophobicContact CD1-CE2 4.22Å; I180-F182 HydrophobicContact CD1-CZ 4.05Å; I180-F182 HydrophobicContact CG1-CE2 4.4Å; I180-F182 HydrophobicContact CG2-CD1 4.08Å; I180-F182 HydrophobicContact CG2-CD2 3.53Å; I180-F182 HydrophobicContact CG2-CE1 4.08Å; I180-F182 HydrophobicContact CG2-CE2 3.51Å; I180-F182 HydrophobicContact CG2-CG 3.81Å; I180-F182 HydrophobicContact CG2-CZ 3.79Å; I180-F182 VanDerWaalsContact O-CD2 3.27Å; I180-F182 WeakPolarHBondContact O-CD2 3.29Å; I180-F182 PolarHBondContact O-N 3.28Å
181H79.3Confident76.8Confident153 Ų15368.5 Ų68.571%0.70841%0.408SS*.  trans-76.983.5168.9-63.7-69.5000108.1W183H181-W183 PolarHBondContact O-N 3.23Å
182F69.8Low76.1Confident17 Ų1770.2 Ų70.28%0.07542%0.415CS..  trans-63.4-33.7-177.7-79.8-90.5000112.9A60 L61 M88 F92 I180A60-F182 HydrophobicContact CB-CB 4.4Å; A60-F182 HydrophobicContact CB-CD1 4.17Å; A60-F182 HydrophobicContact CB-CG 4.38Å; L61-F182 HydrophobicContact CD1-CE1 3.75Å; L61-F182 HydrophobicContact CD1-CZ 4.49Å; L61-F182 HydrophobicContact CD2-CE1 3.74Å; L61-F182 HydrophobicContact CD2-CZ 3.89Å; L61-F182 HydrophobicContact CG-CD1 4.37Å; L61-F182 HydrophobicContact CG-CE1 3.53Å; L61-F182 HydrophobicContact CG-CZ 4.21Å; M88-F182 HydrophobicContact CE-CD1 4.33Å; M88-F182 HydrophobicContact CE-CE1 3.54Å; M88-F182 HydrophobicContact CE-CZ 3.88Å; M88-F182 HydrophobicContact CG-CE1 4.36Å; M88-F182 HydrophobicContact CG-CE2 4.32Å; M88-F182 HydrophobicContact CG-CZ 3.71Å; M88-F182 HydrophobicContact SD-CE1 3.96Å; M88-F182 HydrophobicContact SD-CZ 3.81Å; F92-F182 HydrophobicContact CB-CD2 4.36Å; F92-F182 HydrophobicContact CB-CE2 3.75Å; F92-F182 AromaticContact CD2-CE2 3.48Å; F92-F182 HydrophobicContact CD2-CE2 3.48Å; F92-F182 VanDerWaalsContact CD2-CE2 3.48Å; F92-F182 AromaticContact CD2-CZ 3.8Å; F92-F182 HydrophobicContact CD2-CZ 3.8Å; F92-F182 HydrophobicContact CE2-CE2 4.36Å; F92-F182 HydrophobicContact CE2-CZ 4.25Å; F92-F182 AromaticContact CG-CE2 3.85Å; F92-F182 HydrophobicContact CG-CE2 3.85Å; I180-F182 HydrophobicContact CB-CD2 3.77Å; I180-F182 HydrophobicContact CB-CE2 3.49Å; I180-F182 VanDerWaalsContact CB-CE2 3.49Å; I180-F182 HydrophobicContact CB-CZ 4.08Å; I180-F182 HydrophobicContact CD1-CE2 4.22Å; I180-F182 HydrophobicContact CD1-CZ 4.05Å; I180-F182 HydrophobicContact CG1-CE2 4.4Å; I180-F182 HydrophobicContact CG2-CD1 4.08Å; I180-F182 HydrophobicContact CG2-CD2 3.53Å; I180-F182 HydrophobicContact CG2-CE1 4.08Å; I180-F182 HydrophobicContact CG2-CE2 3.51Å; I180-F182 HydrophobicContact CG2-CG 3.81Å; I180-F182 HydrophobicContact CG2-CZ 3.79Å; I180-F182 VanDerWaalsContact O-CD2 3.27Å; I180-F182 WeakPolarHBondContact O-CD2 3.29Å; I180-F182 PolarHBondContact O-N 3.28Å
183W64.3Low76Confident38 Ų3868.5 Ų68.514%0.14440%0.4CS..  trans-126.6103.8-162.4-43.1109.1000109.2I31 S34 L58 V85 H181 C185I31-W183 HydrophobicContact CB-CZ2 4.5Å; I31-W183 VanDerWaalsContact CG1-CD1 3.46Å; I31-W183 HydrophobicContact CG1-CD2 3.88Å; I31-W183 HydrophobicContact CG1-CG 3.95Å; I31-W183 HydrophobicContact CG1-CZ2 3.89Å; I31-W183 HydrophobicContact CG2-CZ2 4.21Å; S34-W183 VanDerWaalsContact CB-CZ3 3.41Å; L58-W183 HydrophobicContact CD1-CH2 3.74Å; L58-W183 HydrophobicContact CD1-CZ3 4.36Å; L58-W183 HydrophobicContact CD2-CH2 4.15Å; L58-W183 HydrophobicContact CD2-CZ3 4Å; V85-W183 HydrophobicContact CG1-CH2 4.3Å; V85-W183 HydrophobicContact CG1-CZ2 3.92Å; H181-W183 PolarHBondContact O-N 3.23Å; W183-C185 PolarHBondContact O-N 3.36Å
184G55.2Low75.2Confident92 Ų9264.2 Ų64.295%0.94838%0.38SS*.  trans-73.967.9169.700000110.5
185C49Very low74.6Confident131 Ų13168.7 Ų68.789%0.88541%0.409SS*.  trans-102.10155.96.50000105.6C30 W183C30-C185 HydrophobicContact CB-CB 4.17Å; C30-C185 WeakPolarHBondContact CB-SG 3.32Å; C30-C185 WeakPolarHBondContact SG-CB 3.41Å; C30-C185 CovalentContact SG-SG 2.05Å; C30-C185 PolarHBondContact SG-SG 2.85Å; W183-C185 PolarHBondContact O-N 3.36Å

Retrieved 185 of 185 residues in 683.9 ms (Link to these results)

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