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Centrin-3

Plays a fundamental role in microtubule-organizing center structure and function. As a component of the TREX-2 complex, involved in the export of mRNAs to the cytoplasm through the nuclear pores.

AlphaFold DB , UniProt , Accession O15182, Species HUMAN (Homo sapiens, Human), Gene CETN3, Length 167 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
1M51Low51.3Low188 Ų188107.5 Ų107.593%0.92658%0.579SS**  0118.30-154.5-177-88.600107.1L5M1-L5 HydrophobicContact CG-CB 4.36Å; M1-L5 HydrophobicContact CG-CD2 3.68Å
2S58.9Low51.5Low71 Ų71104.7 Ų104.750%0.49756%0.563SS.*  trans-77.2158.7-173.3610000112A4 L5 R6S2-A4 PolarHBondContact O-N 2.97Å; S2-L5 PolarHBondContact O-N 3.12Å; S2-L5 VanDerWaalsContact O-N 3.16Å; S2-L5 PolarHBondContact OG-N 3.22Å; S2-R6 PolarHBondContact O-N 2.81Å
3L51.9Low51.7Low153 Ų153103.6 Ų103.680%0.80155%0.55SS**Hα-helixtrans-55.3-37.6172.5-80.3164.9000112L5 R6 S7L3-L5 PolarHBondContact O-N 2.7Å; L3-R6 PolarHBondContact O-N 2.88Å; L3-S7 PolarHBondContact O-N 3.19Å; L3-S7 PolarHBondContact O-OG 3.34Å
4A54.9Low51.8Low55 Ų55101.2 Ų101.246%0.45554%0.541SS..Hα-helixtrans-59.8-43.1176.800000112.5S2 R6 S7 E8S2-A4 PolarHBondContact O-N 2.97Å; A4-R6 VanDerWaalsContact C-N 3.34Å; A4-R6 PolarHBondContact O-N 3.08Å; A4-S7 WeakPolarHBondContact CA-OG 3.26Å; A4-S7 PolarHBondContact O-N 2.91Å; A4-S7 PolarHBondContact O-OG 3.25Å; A4-E8 WeakPolarHBondContact O-CG 3.42Å; A4-E8 PolarHBondContact O-N 2.99Å
5L48.5Very low51.6Low88 Ų88103.7 Ų103.746%0.46155%0.545SS..Hα-helixtrans-67.2-35.5178.7-148.481.8000111.9M1 S2 L3 L9M1-L5 HydrophobicContact CG-CB 4.36Å; M1-L5 HydrophobicContact CG-CD2 3.68Å; S2-L5 PolarHBondContact O-N 3.12Å; S2-L5 VanDerWaalsContact O-N 3.16Å; S2-L5 PolarHBondContact OG-N 3.22Å; L3-L5 PolarHBondContact O-N 2.7Å; L5-L9 WeakPolarHBondContact O-CB 3.32Å; L5-L9 PolarHBondContact O-N 2.91Å
6R45.8Very low51.6Low165 Ų165108.1 Ų108.162%0.62355%0.552SS**Hα-helixtrans-65.4-45.4173.4-76.8-175.3-179.5-1132.4111.3S2 L3 A4 E8 L9 V10S2-R6 PolarHBondContact O-N 2.81Å; L3-R6 PolarHBondContact O-N 2.88Å; A4-R6 VanDerWaalsContact C-N 3.34Å; A4-R6 PolarHBondContact O-N 3.08Å; R6-E8 VanDerWaalsContact C-N 3.34Å; R6-E8 PolarHBondContact O-N 2.61Å; R6-L9 PolarHBondContact O-N 2.75Å; R6-V10 VanDerWaalsContact O-CG2 3.26Å; R6-V10 WeakPolarHBondContact O-CG2 3.23Å; R6-V10 PolarHBondContact O-N 3.26Å
7S46.3Very low51.5Low65 Ų65105.9 Ų105.946%0.45554%0.538SS..Hα-helixtrans-63.1-40.217850.30000112.3L3 A4 V10 V11L3-S7 PolarHBondContact O-N 3.19Å; L3-S7 PolarHBondContact O-OG 3.34Å; A4-S7 WeakPolarHBondContact CA-OG 3.26Å; A4-S7 PolarHBondContact O-N 2.91Å; A4-S7 PolarHBondContact O-OG 3.25Å; S7-V10 PolarHBondContact O-N 3.23Å; S7-V11 WeakPolarHBondContact O-CB 3.48Å; S7-V11 WeakPolarHBondContact O-CG2 3.1Å; S7-V11 PolarHBondContact O-N 2.54Å
8E48.6Very low51.4Low125 Ų125109.9 Ų109.958%0.58455%0.551SS**Hα-helixtrans-64.9-42176.6-73.4172.8-17100111.8A4 R6 V10 V11 D12A4-E8 WeakPolarHBondContact O-CG 3.42Å; A4-E8 PolarHBondContact O-N 2.99Å; R6-E8 VanDerWaalsContact C-N 3.34Å; R6-E8 PolarHBondContact O-N 2.61Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3.15Å; E8-V11 PolarHBondContact O-N 3.16Å; E8-D12 WeakPolarHBondContact O-CB 3.38Å; E8-D12 PolarHBondContact O-N 2.77Å
9L51.7Low51.5Low109 Ų109115.9 Ų115.957%0.57157%0.567SS**Hα-helixtrans-63.4-40176.4-155.981.7000111.8L5 R6 K13L5-L9 WeakPolarHBondContact O-CB 3.32Å; L5-L9 PolarHBondContact O-N 2.91Å; R6-L9 PolarHBondContact O-N 2.75Å; L9-K13 WeakPolarHBondContact O-CB 3.27Å; L9-K13 VanDerWaalsContact O-CG 3.32Å; L9-K13 WeakPolarHBondContact O-CG 3.43Å; L9-K13 PolarHBondContact O-N 3.33Å
10V53.8Low52.5Low91 Ų91115.6 Ų115.655%0.55256%0.559SS**Hα-helixtrans-67.6-39.8175.4173.90000111.1R6 S7 E8 T14R6-V10 VanDerWaalsContact O-CG2 3.26Å; R6-V10 WeakPolarHBondContact O-CG2 3.23Å; R6-V10 PolarHBondContact O-N 3.26Å; S7-V10 PolarHBondContact O-N 3.23Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3.15Å; V10-T14 WeakPolarHBondContact O-CB 3.45Å; V10-T14 WeakPolarHBondContact O-CG2 3.25Å; V10-T14 PolarHBondContact O-N 2.74Å; V10-T14 PolarHBondContact O-OG1 3.46Å
11V52.3Low53.9Low73 Ų73117.9 Ų117.944%0.44257%0.569SS.*Hα-helixtrans-68.8-39.4177173.20000111.7S7 E8 T14 K15S7-V11 WeakPolarHBondContact O-CB 3.48Å; S7-V11 WeakPolarHBondContact O-CG2 3.1Å; S7-V11 PolarHBondContact O-N 2.54Å; E8-V11 PolarHBondContact O-N 3.16Å; V11-T14 VanDerWaalsContact CA-OG1 3.29Å; V11-T14 WeakPolarHBondContact CA-OG1 3.23Å; V11-T14 PolarHBondContact O-N 2.73Å; V11-T14 PolarHBondContact O-OG1 3.12Å; V11-K15 WeakPolarHBondContact O-CB 3.45Å; V11-K15 WeakPolarHBondContact O-CG 3.32Å; V11-K15 PolarHBondContact O-N 3.06Å
12D54.8Low55.7Low73 Ų73109.6 Ų109.639%0.3953%0.528SS..Hα-helixtrans-67-44.2175.9-170.948.7000111.3E8 T14 K15 R16E8-D12 WeakPolarHBondContact O-CB 3.38Å; E8-D12 PolarHBondContact O-N 2.77Å; D12-T14 PolarHBondContact O-N 2.78Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-R16 WeakPolarHBondContact O-CB 3.22Å; D12-R16 WeakPolarHBondContact O-CG 3.39Å; D12-R16 PolarHBondContact O-N 3.05Å; D12-R16 IonicContact OD2-CZ 3.84Å; D12-R16 IonicContact OD2-NH1 3.43Å; D12-R16 PolarHBondContact OD2-NH1 3.12Å
13K53.5Low57.2Low91 Ų91108.7 Ų108.740%0.39652%0.522SS..Hα-helixtrans-58.1-46.2173.1-80-169.8165.2-140.30112L9 K15 R16 K17 D92L9-K13 WeakPolarHBondContact O-CB 3.27Å; L9-K13 VanDerWaalsContact O-CG 3.32Å; L9-K13 WeakPolarHBondContact O-CG 3.43Å; L9-K13 PolarHBondContact O-N 3.33Å; K13-K15 PolarHBondContact O-N 2.96Å; K13-R16 PolarHBondContact O-N 3.11Å; K13-K17 WeakPolarHBondContact O-CG 3.46Å; K13-K17 PolarHBondContact O-N 3.41Å; K13-D92 IonicContact NZ-OD2 3.11Å; K13-D92 PolarHBondContact NZ-OD2 3.44Å
14T53.1Low59.2Low70 Ų70108 Ų10843%0.42951%0.514SS..Hα-helixtrans-67.4-34.9178.948.10000113.1V10 V11 D12 K18V10-T14 WeakPolarHBondContact O-CB 3.45Å; V10-T14 WeakPolarHBondContact O-CG2 3.25Å; V10-T14 PolarHBondContact O-N 2.74Å; V10-T14 PolarHBondContact O-OG1 3.46Å; V11-T14 VanDerWaalsContact CA-OG1 3.29Å; V11-T14 WeakPolarHBondContact CA-OG1 3.23Å; V11-T14 PolarHBondContact O-N 2.73Å; V11-T14 PolarHBondContact O-OG1 3.12Å; D12-T14 PolarHBondContact O-N 2.78Å; T14-K18 PolarHBondContact O-N 3.2Å
15K48.5Very low61Low138 Ų138112.6 Ų112.660%0.653%0.526SS*.Hα-helixtrans-67.5-39.5173-79.3-176.2-180179.80112.5V11 D12 K13 K18V11-K15 WeakPolarHBondContact O-CB 3.45Å; V11-K15 WeakPolarHBondContact O-CG 3.32Å; V11-K15 PolarHBondContact O-N 3.06Å; D12-K15 PolarHBondContact O-N 3.19Å; K13-K15 PolarHBondContact O-N 2.96Å; K15-K18 PolarHBondContact O-N 3.42Å
16R51.3Low63.1Low174 Ų174111.4 Ų111.466%0.65752%0.518SS*.Hα-helixtrans-63.1-47.7173.1-78.5174.4141.8148.4-15.3111.1D12 K13 K18 R19D12-R16 WeakPolarHBondContact O-CB 3.22Å; D12-R16 WeakPolarHBondContact O-CG 3.39Å; D12-R16 PolarHBondContact O-N 3.05Å; D12-R16 IonicContact OD2-CZ 3.84Å; D12-R16 IonicContact OD2-NH1 3.43Å; D12-R16 PolarHBondContact OD2-NH1 3.12Å; K13-R16 PolarHBondContact O-N 3.11Å; R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 PolarHBondContact O-N 3.09Å; R16-R19 PolarHBondContact O-N 3.03Å; R16-R19 VanDerWaalsContact O-N 3.09Å
17K50.4Low65.5Low71 Ų71107.3 Ų107.331%0.30951%0.505SS..Hα-helixtrans-55.7-45174.5-76.4-172.5179.7-163.70112.4K13 R19 R20 D92 L95K13-K17 WeakPolarHBondContact O-CG 3.46Å; K13-K17 PolarHBondContact O-N 3.41Å; K17-R19 PolarHBondContact O-N 3.37Å; K17-R19 VanDerWaalsContact O-N 3.11Å; K17-R20 CarbonylContact O-C 3.48Å; K17-R20 PolarHBondContact O-N 2.98Å; K17-R20 VanDerWaalsContact O-O 3.06Å; K17-D92 WeakPolarHBondContact CE-OD1 3.31Å; K17-D92 IonicContact NZ-OD1 3.59Å; K17-D92 PolarHBondContact NZ-OD1 3.39Å; K17-L95 HydrophobicContact CG-CD1 4.38Å
18K49.3Very low67.9Low179 Ų179108.4 Ų108.478%0.77850%0.503SS*.Hα-helixtrans-61.3-21178.7-86.1-169.6174.8-173.30114.8T14 K15 R16T14-K18 PolarHBondContact O-N 3.2Å; K15-K18 PolarHBondContact O-N 3.42Å; R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 PolarHBondContact O-N 3.09Å
19R54.4Low70.2Confident223 Ų223107.8 Ų107.884%0.84250%0.5SS*.Hα-helixtrans-90.6-17.3-177.6-74.9-174.369.3-173.6-0.1113.6R16 K17R16-R19 PolarHBondContact O-N 3.03Å; R16-R19 VanDerWaalsContact O-N 3.09Å; K17-R19 PolarHBondContact O-N 3.37Å; K17-R19 VanDerWaalsContact O-N 3.11Å
20R70.4Confident72.3Confident110 Ų110102.6 Ų102.642%0.41547%0.473SS..  trans-145102.5-178.3-63.2178.778-172.77.5107.6K17 L95 R97 P99K17-R20 CarbonylContact O-C 3.48Å; K17-R20 PolarHBondContact O-N 2.98Å; K17-R20 VanDerWaalsContact O-O 3.06Å; R20-L95 HydrophobicContact CB-CD2 3.64Å; R20-L95 PolarHBondContact NH1-O 3.03Å; R20-L95 WeakPolarHBondContact O-CD1 3.32Å; R20-L95 WeakPolarHBondContact O-CD2 3.12Å; R20-R97 PolarHBondContact NH1-O 3.31Å; R20-R97 VanDerWaalsContact NH1-O 3.13Å; R20-P99 VanDerWaalsContact NH2-CG 3.29Å
21E82.8Confident74.4Confident164 Ų164102.3 Ų102.377%0.76646%0.464SS*.PPolyproline II helixtrans-89.1150.4167.1-65.9-172.7172.200108.7
22L88.6Confident76.5Confident14 Ų14102.6 Ų102.67%0.07346%0.463CS..PPolyproline II helixtrans-69.5147.5175.1-61.5-173.1000111.1Q26 K27 I30 T91 I94 L95L22-Q26 HydrophobicContact CB-CB 4.17Å; L22-K27 HydrophobicContact CB-CG 3.96Å; L22-K27 HydrophobicContact CD1-CG 4.39Å; L22-K27 WeakPolarHBondContact O-CE 3.36Å; L22-I30 HydrophobicContact CD1-CD1 3.5Å; L22-T91 HydrophobicContact CD1-CG2 3.87Å; L22-T91 WeakPolarHBondContact CD1-OG1 3.33Å; L22-T91 HydrophobicContact CD2-CG2 4.46Å; L22-T91 HydrophobicContact CG-CG2 3.98Å; L22-I94 HydrophobicContact CD1-CD1 4.39Å; L22-I94 HydrophobicContact CD2-CB 3.91Å; L22-I94 HydrophobicContact CD2-CD1 4.43Å; L22-I94 HydrophobicContact CD2-CG2 3.51Å; L22-L95 HydrophobicContact CD2-CD2 3.71Å; L22-L95 HydrophobicContact CD2-CG 4.08Å
23S90.4Very high78.6Confident51 Ų5199.5 Ų99.536%0.35745%0.448SS..PPolyproline II helixtrans-66.2160167.7720000110.8E25 Q26 K27S23-E25 PolarHBondContact O-N 3.09Å; S23-Q26 VanDerWaalsContact N-OE1 3.13Å; S23-Q26 PolarHBondContact O-N 3.3Å; S23-Q26 WeakPolarHBondContact OG-CG 3.25Å; S23-Q26 PolarHBondContact OG-N 3.33Å; S23-Q26 VanDerWaalsContact OG-N 3.1Å; S23-K27 WeakPolarHBondContact O-CG 3.37Å; S23-K27 PolarHBondContact O-N 3.41Å
24E93.3Very high80.7Confident138 Ų13895.6 Ų95.665%0.64543%0.431SS*.Hα-helixtrans-62.4-34.3174.7-64.2-56117.700111.7K27 Q28E24-K27 PolarHBondContact O-N 2.98Å; E24-K27 IonicContact OE1-NZ 3.56Å; E24-K27 PolarHBondContact OE1-NZ 3.27Å; E24-Q28 WeakPolarHBondContact O-CB 3.43Å; E24-Q28 PolarHBondContact O-N 2.86Å
25E92.8Very high82.7Confident152 Ų15296.8 Ų96.871%0.7143%0.432SS*.Hα-helixtrans-61.9-47.5174.1-67171.717000111.3S23 K27 Q28 E29S23-E25 PolarHBondContact O-N 3.09Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 3.03Å; E25-Q28 WeakPolarHBondContact O-CB 3.34Å; E25-Q28 PolarHBondContact O-N 3.06Å; E25-Q28 VanDerWaalsContact O-N 3.14Å; E25-E29 WeakPolarHBondContact O-CG 3.49Å; E25-E29 PolarHBondContact O-N 2.74Å
26Q92.6Very high85Confident63 Ų6395.8 Ų95.829%0.29443%0.432SS..Hα-helixtrans-62.2-41.7176.8-74.4174.1-33.600111.9L22 S23 Q28 E29 I30L22-Q26 HydrophobicContact CB-CB 4.17Å; S23-Q26 VanDerWaalsContact N-OE1 3.13Å; S23-Q26 PolarHBondContact O-N 3.3Å; S23-Q26 WeakPolarHBondContact OG-CG 3.25Å; S23-Q26 PolarHBondContact OG-N 3.33Å; S23-Q26 VanDerWaalsContact OG-N 3.1Å; Q26-Q28 VanDerWaalsContact C-N 3.27Å; Q26-Q28 PolarHBondContact O-N 3.22Å; Q26-E29 PolarHBondContact O-N 3.39Å; Q26-I30 VanDerWaalsContact O-CG1 3.26Å; Q26-I30 WeakPolarHBondContact O-CG1 3.49Å; Q26-I30 PolarHBondContact O-N 2.92Å
27K96Very high87.1Confident79 Ų7989.5 Ų89.534%0.34341%0.41SS..Hα-helixtrans-61.9-39.3175.5-67.8172.2-168.1166.60111.4L22 S23 E24 E25 I30 K31L22-K27 HydrophobicContact CB-CG 3.96Å; L22-K27 HydrophobicContact CD1-CG 4.39Å; L22-K27 WeakPolarHBondContact O-CE 3.36Å; S23-K27 WeakPolarHBondContact O-CG 3.37Å; S23-K27 PolarHBondContact O-N 3.41Å; E24-K27 PolarHBondContact O-N 2.98Å; E24-K27 IonicContact OE1-NZ 3.56Å; E24-K27 PolarHBondContact OE1-NZ 3.27Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 3.03Å; K27-I30 PolarHBondContact O-N 3.03Å; K27-K31 PolarHBondContact O-N 2.93Å; K27-K31 VanDerWaalsContact O-N 3.16Å
28Q97.1Very high89.2Confident89 Ų8986.5 Ų86.542%0.41640%0.397SS..Hα-helixtrans-67.2-43176.9-169.859.553.100111.3E24 E25 Q26 I30 K31 D32E24-Q28 WeakPolarHBondContact O-CB 3.43Å; E24-Q28 PolarHBondContact O-N 2.86Å; E25-Q28 WeakPolarHBondContact O-CB 3.34Å; E25-Q28 PolarHBondContact O-N 3.06Å; E25-Q28 VanDerWaalsContact O-N 3.14Å; Q26-Q28 VanDerWaalsContact C-N 3.27Å; Q26-Q28 PolarHBondContact O-N 3.22Å; Q28-I30 VanDerWaalsContact C-N 3.34Å; Q28-I30 PolarHBondContact O-N 3.14Å; Q28-K31 WeakPolarHBondContact O-CB 3.24Å; Q28-K31 PolarHBondContact O-N 3.02Å; Q28-K31 VanDerWaalsContact O-N 3.12Å; Q28-D32 PolarHBondContact NE2-OD1 3.34Å; Q28-D32 WeakPolarHBondContact O-CB 3.4Å; Q28-D32 PolarHBondContact O-N 2.8Å
29E96.4Very high91.1Very high111 Ų11182.9 Ų82.952%0.51939%0.39SS..Hα-helixtrans-58.6-42.7174.9-74.5179.5175.300112.4E25 Q26 K31 D32 A33 L57E25-E29 WeakPolarHBondContact O-CG 3.49Å; E25-E29 PolarHBondContact O-N 2.74Å; Q26-E29 PolarHBondContact O-N 3.39Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.35Å; E29-D32 PolarHBondContact O-N 3.16Å; E29-A33 WeakPolarHBondContact O-CB 3.38Å; E29-A33 PolarHBondContact O-N 2.88Å; E29-L57 HydrophobicContact CB-CD2 4.19Å
30I97.5Very high92.9Very high0 Ų076.6 Ų76.60%037%0.373CS..Hα-helixtrans-58.3-47.3175.4-65.5173.2000110.1L22 Q26 K27 Q28 A33 F34 F83 F86 N87 V90 I94L22-I30 HydrophobicContact CD1-CD1 3.5Å; Q26-I30 VanDerWaalsContact O-CG1 3.26Å; Q26-I30 WeakPolarHBondContact O-CG1 3.49Å; Q26-I30 PolarHBondContact O-N 2.92Å; K27-I30 PolarHBondContact O-N 3.03Å; Q28-I30 VanDerWaalsContact C-N 3.34Å; Q28-I30 PolarHBondContact O-N 3.14Å; I30-A33 PolarHBondContact O-N 3.46Å; I30-F34 PolarHBondContact O-N 2.77Å; I30-F83 HydrophobicContact CG2-CE2 4.33Å; I30-F86 HydrophobicContact CG2-CD1 3.95Å; I30-F86 HydrophobicContact CG2-CE1 3.81Å; I30-F86 WeakPolarHBondContact O-CE1 3.21Å; I30-N87 HydrophobicContact CG2-CB 4.23Å; I30-V90 HydrophobicContact CD1-CB 4.3Å; I30-V90 HydrophobicContact CD1-CG1 3.81Å; I30-V90 HydrophobicContact CG1-CB 4.37Å; I30-V90 HydrophobicContact CG1-CG1 3.63Å; I30-V90 HydrophobicContact CG2-CB 4.43Å; I30-V90 HydrophobicContact CG2-CG1 4.46Å; I30-I94 HydrophobicContact CD1-CD1 3.91Å; I30-I94 HydrophobicContact CG1-CD1 4.09Å
31K97.2Very high93.8Very high85 Ų8577.7 Ų77.737%0.3738%0.381SS..Hα-helixtrans-62.9-47.8179.7-177.1178.8171.5-177.50111.6K27 Q28 E29 A33 F34 E35 F83K27-K31 PolarHBondContact O-N 2.93Å; K27-K31 VanDerWaalsContact O-N 3.16Å; Q28-K31 WeakPolarHBondContact O-CB 3.24Å; Q28-K31 PolarHBondContact O-N 3.02Å; Q28-K31 VanDerWaalsContact O-N 3.12Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.35Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 3.36Å; K31-F34 PolarHBondContact O-N 3.48Å; K31-E35 WeakPolarHBondContact CE-OE1 3.49Å; K31-E35 HydrophobicContact CG-CG 4.46Å; K31-E35 IonicContact NZ-OE1 3.74Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 2.77Å; K31-F83 HydrophobicContact CB-CE2 4.24Å; K31-F83 HydrophobicContact CB-CZ 4.28Å; K31-F83 HydrophobicContact CG-CE2 4.46Å; K31-F83 HydrophobicContact CG-CZ 4.48Å
32D97.1Very high94.4Very high79 Ų7973.5 Ų73.542%0.42236%0.364SS..Hα-helixtrans-62-41.4-179.8-67.1-12.7000111Q28 E29 E35 L36Q28-D32 PolarHBondContact NE2-OD1 3.34Å; Q28-D32 WeakPolarHBondContact O-CB 3.4Å; Q28-D32 PolarHBondContact O-N 2.8Å; E29-D32 PolarHBondContact O-N 3.16Å; D32-E35 PolarHBondContact O-N 3.01Å; D32-L36 WeakPolarHBondContact O-CB 3.45Å; D32-L36 PolarHBondContact O-N 3.13Å
33A97.2Very high94.6Very high8 Ų880.2 Ų80.27%0.06640%0.395CS..Hα-helixtrans-63-45.4174.700000111.6E29 I30 K31 L36 F37 L57E29-A33 WeakPolarHBondContact O-CB 3.38Å; E29-A33 PolarHBondContact O-N 2.88Å; I30-A33 PolarHBondContact O-N 3.46Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 3.36Å; A33-L36 PolarHBondContact O-N 2.78Å; A33-F37 WeakPolarHBondContact O-CD2 3.47Å; A33-F37 PolarHBondContact O-N 3.07Å; A33-L57 HydrophobicContact CB-CD1 3.88Å; A33-L57 HydrophobicContact CB-CD2 3.67Å; A33-L57 HydrophobicContact CB-CG 3.63Å
34F97.7Very high94.9Very high9 Ų978.4 Ų78.44%0.03938%0.383CS..Hα-helixtrans-58.7-52.7176.4-176.1-87.8000111.2I30 K31 L36 F37 D38 E43 I45 F83 F86I30-F34 PolarHBondContact O-N 2.77Å; K31-F34 PolarHBondContact O-N 3.48Å; F34-L36 VanDerWaalsContact C-N 3.28Å; F34-L36 PolarHBondContact O-N 3.24Å; F34-F37 PolarHBondContact O-N 2.77Å; F34-F37 VanDerWaalsContact O-N 3.16Å; F34-D38 HydrophobicContact CD1-CB 4.38Å; F34-D38 HydrophobicContact CE1-CB 4.05Å; F34-D38 WeakPolarHBondContact O-CB 3.46Å; F34-D38 PolarHBondContact O-N 2.96Å; F34-E43 WeakPolarHBondContact CZ-O 3.46Å; F34-I45 HydrophobicContact CD2-CD1 3.84Å; F34-I45 HydrophobicContact CD2-CG1 4.31Å; F34-I45 HydrophobicContact CD2-CG2 4.06Å; F34-I45 HydrophobicContact CE2-CB 4.33Å; F34-I45 HydrophobicContact CE2-CD1 3.9Å; F34-I45 HydrophobicContact CE2-CG1 3.87Å; F34-I45 HydrophobicContact CE2-CG2 3.73Å; F34-I45 HydrophobicContact CZ-CG2 4.08Å; F34-F83 HydrophobicContact CB-CD2 3.83Å; F34-F83 HydrophobicContact CB-CE2 4.23Å; F34-F83 HydrophobicContact CD1-CB 4.15Å; F34-F83 AromaticContact CD1-CD2 3.91Å; F34-F83 HydrophobicContact CD1-CD2 3.91Å; F34-F83 HydrophobicContact CD1-CG 4.43Å; F34-F83 HydrophobicContact CD2-CB 4.29Å; F34-F83 AromaticContact CD2-CD2 3.97Å; F34-F83 HydrophobicContact CD2-CD2 3.97Å; F34-F83 HydrophobicContact CE1-CB 3.88Å; F34-F83 HydrophobicContact CE1-CD2 4.5Å; F34-F83 VanDerWaalsContact CE2-CA 3.47Å; F34-F83 HydrophobicContact CE2-CB 4.01Å; F34-F83 HydrophobicContact CG-CB 4.35Å; F34-F83 AromaticContact CG-CD2 3.62Å; F34-F83 HydrophobicContact CG-CD2 3.62Å; F34-F83 HydrophobicContact CG-CE2 4.49Å; F34-F83 HydrophobicContact CG-CG 4.46Å; F34-F83 HydrophobicContact CZ-CB 3.81Å; F34-F86 HydrophobicContact CB-CD1 3.85Å; F34-F86 HydrophobicContact CB-CE1 3.87Å; F34-F86 HydrophobicContact CD2-CB 3.84Å; F34-F86 AromaticContact CD2-CD1 3.64Å; F34-F86 HydrophobicContact CD2-CD1 3.64Å; F34-F86 HydrophobicContact CD2-CE1 4.33Å; F34-F86 AromaticContact CD2-CG 3.81Å; F34-F86 HydrophobicContact CD2-CG 3.81Å; F34-F86 HydrophobicContact CE2-CB 4.14Å; F34-F86 HydrophobicContact CG-CD1 4.21Å
35E95.7Very high95.1Very high95 Ų9571.8 Ų71.844%0.44435%0.352SS..Hα-helixtrans-64.7-31-177.6-70.6-177.4-177.400113K31 D32 F37 K41K31-E35 WeakPolarHBondContact CE-OE1 3.49Å; K31-E35 HydrophobicContact CG-CG 4.46Å; K31-E35 IonicContact NZ-OE1 3.74Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 2.77Å; D32-E35 PolarHBondContact O-N 3.01Å; E35-F37 VanDerWaalsContact C-N 3.33Å; E35-K41 PolarHBondContact O-NZ 2.95Å
36L96.2Very high95.3Very high117 Ų11766.9 Ų66.961%0.61333%0.331SS*.Hα-helixtrans-67.6-35.1177-17962.1000112D32 A33 F34D32-L36 WeakPolarHBondContact O-CB 3.45Å; D32-L36 PolarHBondContact O-N 3.13Å; A33-L36 PolarHBondContact O-N 2.78Å; F34-L36 VanDerWaalsContact C-N 3.28Å; F34-L36 PolarHBondContact O-N 3.24Å
37F95.2Very high95.5Very high43 Ų4366.2 Ų66.219%0.18933%0.326CS..Hα-helixtrans-107.3-12.4-173.4-63.5-67.6000114.9A33 F34 E35 T39 E49 V52 A53 A56A33-F37 WeakPolarHBondContact O-CD2 3.47Å; A33-F37 PolarHBondContact O-N 3.07Å; F34-F37 PolarHBondContact O-N 2.77Å; F34-F37 VanDerWaalsContact O-N 3.16Å; E35-F37 VanDerWaalsContact C-N 3.33Å; F37-T39 PolarHBondContact O-N 3.35Å; F37-E49 HydrophobicContact CB-CB 4.46Å; F37-E49 WeakPolarHBondContact O-CB 3.37Å; F37-E49 WeakPolarHBondContact O-CG 3.47Å; F37-V52 HydrophobicContact CB-CG2 4.15Å; F37-V52 HydrophobicContact CD1-CB 4.06Å; F37-V52 HydrophobicContact CD1-CG2 3.24Å; F37-V52 HydrophobicContact CD2-CG2 4.43Å; F37-V52 HydrophobicContact CE1-CB 3.94Å; F37-V52 HydrophobicContact CE1-CG2 3.64Å; F37-V52 HydrophobicContact CG-CG2 3.69Å; F37-V52 HydrophobicContact CZ-CB 4.41Å; F37-V52 HydrophobicContact CZ-CG2 4.41Å; F37-A53 HydrophobicContact CB-CB 4.08Å; F37-A53 HydrophobicContact CD2-CB 3.57Å; F37-A53 HydrophobicContact CE2-CB 4.38Å; F37-A53 HydrophobicContact CG-CB 4.11Å; F37-A56 HydrophobicContact CE2-CB 3.39Å; F37-A56 HydrophobicContact CZ-CB 3.75Å
38D95.1Very high95.5Very high8 Ų868.6 Ų68.64%0.04334%0.338CS..  trans-68.882.9157.5173.811.2000108F34 K41 D42 E43 I45F34-D38 HydrophobicContact CD1-CB 4.38Å; F34-D38 HydrophobicContact CE1-CB 4.05Å; F34-D38 WeakPolarHBondContact O-CB 3.46Å; F34-D38 PolarHBondContact O-N 2.96Å; D38-K41 WeakPolarHBondContact O-CE 3.48Å; D38-K41 PolarHBondContact O-NZ 3.1Å; D38-K41 WeakPolarHBondContact OD1-CA 3.37Å; D38-K41 PolarHBondContact OD1-N 3.29Å; D38-D42 PolarHBondContact OD1-N 3.09Å; D38-D42 VanDerWaalsContact OD1-N 3.16Å; D38-E43 WeakPolarHBondContact OD2-CA 3.42Å; D38-E43 PolarHBondContact OD2-N 2.99Å; D38-E43 VanDerWaalsContact OD2-N 3.09Å; D38-I45 HydrophobicContact CB-CG2 3.96Å
39T89.3Confident95.5Very high103 Ų10365.1 Ų65.163%0.63232%0.322SS*.  trans-82.7-29.4-170.757.50000112.6F37 E49F37-T39 PolarHBondContact O-N 3.35Å; T39-E49 PolarHBondContact N-OE1 2.77Å; T39-E49 VanDerWaalsContact N-OE1 3.16Å; T39-E49 PolarHBondContact OG1-OE1 2.9Å
40D91.7Very high95.6Very high91 Ų9159.8 Ų59.849%0.48730%0.297SS..SBendtrans-88.6-6.2177.166.91.8000113.3D42 K80D40-D42 VanDerWaalsContact C-N 3.3Å; D40-D42 PolarHBondContact O-N 3.27Å; D40-D42 PolarHBondContact OD1-N 3.47Å; D40-K80 IonicContact OD1-NZ 2.81Å; D40-K80 IonicContact OD2-NZ 2.66Å; D40-K80 PolarHBondContact OD2-NZ 3.21Å
41K90.6Very high95.5Very high132 Ų13262.3 Ų62.357%0.57431%0.308SS*.  trans62.137.5174.9-58.5-67.3170.2-148.20112.2E35 D38 E43E35-K41 PolarHBondContact O-NZ 2.95Å; D38-K41 WeakPolarHBondContact O-CE 3.48Å; D38-K41 PolarHBondContact O-NZ 3.1Å; D38-K41 WeakPolarHBondContact OD1-CA 3.37Å; D38-K41 PolarHBondContact OD1-N 3.29Å; K41-E43 VanDerWaalsContact C-N 3.33Å
42D93.6Very high95.4Very high76 Ų7661.3 Ų61.341%0.40631%0.309SS..SBendtrans-94.89.717688.9-23000113.8D38 D40 A44 K80D38-D42 PolarHBondContact OD1-N 3.09Å; D38-D42 VanDerWaalsContact OD1-N 3.16Å; D40-D42 VanDerWaalsContact C-N 3.3Å; D40-D42 PolarHBondContact O-N 3.27Å; D40-D42 PolarHBondContact OD1-N 3.47Å; D42-A44 PolarHBondContact O-N 3.49Å; D42-A44 WeakPolarHBondContact OD1-CB 3.22Å; D42-A44 PolarHBondContact OD1-N 3.2Å; D42-A44 VanDerWaalsContact OD1-N 3.12Å; D42-K80 IonicContact OD1-NZ 2.84Å; D42-K80 PolarHBondContact OD1-NZ 3.27Å; D42-K80 VanDerWaalsContact OD1-NZ 3.11Å; D42-K80 WeakPolarHBondContact OD2-CD 3.46Å; D42-K80 WeakPolarHBondContact OD2-CE 3.42Å; D42-K80 IonicContact OD2-NZ 3.42Å; D42-K80 PolarHBondContact OD2-NZ 2.96Å
43E94.8Very high95.4Very high155 Ų15557.6 Ų57.672%0.72429%0.289SS*.SBendtrans62.819.6179.9-54.2-179.1160.700112.9F34 D38 K41F34-E43 WeakPolarHBondContact CZ-O 3.46Å; D38-E43 WeakPolarHBondContact OD2-CA 3.42Å; D38-E43 PolarHBondContact OD2-N 2.99Å; D38-E43 VanDerWaalsContact OD2-N 3.09Å; K41-E43 VanDerWaalsContact C-N 3.33Å
44A96.8Very high95.4Very high13 Ų1357.2 Ų57.211%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-139.8160174.600000110.5D42 K80 I81D42-A44 PolarHBondContact O-N 3.49Å; D42-A44 WeakPolarHBondContact OD1-CB 3.22Å; D42-A44 PolarHBondContact OD1-N 3.2Å; D42-A44 VanDerWaalsContact OD1-N 3.12Å; A44-K80 HydrophobicContact CB-CB 3.9Å; A44-K80 HydrophobicContact CB-CD 4.02Å; A44-I81 CarbonylContact C-O 3.53Å; A44-I81 WeakPolarHBondContact CA-O 3.5Å; A44-I81 WeakPolarHBondContact CB-O 3.28Å
45I97.4Very high95.3Very high0 Ų062.7 Ų62.70%031%0.306CS..EExtended strand (participates in β ladder)trans-125.5134.9178.357.7-179.5000111.1F34 D38 E49 L50 K80 I81 F86F34-I45 HydrophobicContact CD2-CD1 3.84Å; F34-I45 HydrophobicContact CD2-CG1 4.31Å; F34-I45 HydrophobicContact CD2-CG2 4.06Å; F34-I45 HydrophobicContact CE2-CB 4.33Å; F34-I45 HydrophobicContact CE2-CD1 3.9Å; F34-I45 HydrophobicContact CE2-CG1 3.87Å; F34-I45 HydrophobicContact CE2-CG2 3.73Å; F34-I45 HydrophobicContact CZ-CG2 4.08Å; D38-I45 HydrophobicContact CB-CG2 3.96Å; I45-E49 WeakPolarHBondContact CA-OE2 3.5Å; I45-E49 HydrophobicContact CB-CB 3.77Å; I45-E49 HydrophobicContact CG2-CB 4.03Å; I45-L50 HydrophobicContact CD1-CB 4.13Å; I45-L50 HydrophobicContact CD1-CD1 3.93Å; I45-L50 HydrophobicContact CG1-CB 4.34Å; I45-K80 VanDerWaalsContact O-CA 3.29Å; I45-K80 WeakPolarHBondContact O-CA 3.27Å; I45-I81 HydrophobicContact CD1-CG1 4.4Å; I45-I81 HydrophobicContact CG1-CD1 4.43Å; I45-I81 HydrophobicContact CG1-CG1 3.78Å; I45-I81 PolarHBondContact N-O 3.29Å; I45-I81 PolarHBondContact O-N 3.38Å; I45-F86 HydrophobicContact CD1-CB 4.15Å; I45-F86 HydrophobicContact CD1-CD2 3.45Å; I45-F86 VanDerWaalsContact CD1-CD2 3.45Å; I45-F86 HydrophobicContact CD1-CE2 3.9Å; I45-F86 HydrophobicContact CD1-CG 3.85Å
46D96.5Very high95.3Very high49 Ų4961.3 Ų61.326%0.26231%0.311SS..EExtended strand (participates in β ladder)trans-82.5-176.5177.784.48.9000112.9H48 E49 L50 K80D46-H48 VanDerWaalsContact C-N 3.32Å; D46-H48 PolarHBondContact O-N 3.3Å; D46-H48 WeakPolarHBondContact OD1-CA 3.4Å; D46-H48 WeakPolarHBondContact OD1-CB 3.21Å; D46-H48 PolarHBondContact OD1-N 2.96Å; D46-H48 IonicContact OD1-ND1 3.77Å; D46-H48 IonicContact OD2-ND1 2.84Å; D46-E49 PolarHBondContact N-OE2 3.29Å; D46-E49 PolarHBondContact O-N 2.9Å; D46-E49 PolarHBondContact OD1-N 3.12Å; D46-L50 WeakPolarHBondContact O-CB 3.47Å; D46-L50 PolarHBondContact O-N 3.01Å; D46-K80 HydrophobicContact CB-CG 4.07Å
47Y96.9Very high95.2Very high48 Ų4857 Ų5719%0.18829%0.288CS..Hα-helixtrans-52.6-43.5176.4171.7-89000114.4K51 K63 V66 L67 L70Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 2.9Å; Y47-K63 HydrophobicContact CE2-CG 4.41Å; Y47-K63 WeakPolarHBondContact OH-CG 3.47Å; Y47-V66 HydrophobicContact CD2-CB 4.07Å; Y47-V66 HydrophobicContact CD2-CG1 3.38Å; Y47-V66 HydrophobicContact CE2-CB 3.79Å; Y47-V66 HydrophobicContact CE2-CG1 3.61Å; Y47-V66 HydrophobicContact CG-CG1 4.11Å; Y47-L67 HydrophobicContact CD2-CD2 3.92Å; Y47-L67 HydrophobicContact CD2-CG 4.42Å; Y47-L67 HydrophobicContact CE2-CD2 3.94Å; Y47-L67 HydrophobicContact CE2-CG 4.02Å; Y47-L70 HydrophobicContact CD2-CD1 4.01Å; Y47-L70 HydrophobicContact CG-CD1 4.39Å
48H95.9Very high95Very high129 Ų12957.5 Ų57.560%0.59731%0.306SS*.Hα-helixtrans-74-45.6-176.5-61.1100.7000110.4D46 K51 V52D46-H48 VanDerWaalsContact C-N 3.32Å; D46-H48 PolarHBondContact O-N 3.3Å; D46-H48 WeakPolarHBondContact OD1-CA 3.4Å; D46-H48 WeakPolarHBondContact OD1-CB 3.21Å; D46-H48 PolarHBondContact OD1-N 2.96Å; D46-H48 IonicContact OD1-ND1 3.77Å; D46-H48 IonicContact OD2-ND1 2.84Å; H48-K51 WeakPolarHBondContact O-CB 3.32Å; H48-K51 PolarHBondContact O-N 3.03Å; H48-V52 WeakPolarHBondContact O-CG2 3.49Å; H48-V52 PolarHBondContact O-N 2.84Å; H48-V52 VanDerWaalsContact O-N 3.07Å
49E96.9Very high95Very high16 Ų1658.1 Ų58.18%0.07531%0.308CS..Hα-helixtrans-62.6-47178.8-66174.3140.300111F37 T39 I45 D46 K51 V52 A53F37-E49 HydrophobicContact CB-CB 4.46Å; F37-E49 WeakPolarHBondContact O-CB 3.37Å; F37-E49 WeakPolarHBondContact O-CG 3.47Å; T39-E49 PolarHBondContact N-OE1 2.77Å; T39-E49 VanDerWaalsContact N-OE1 3.16Å; T39-E49 PolarHBondContact OG1-OE1 2.9Å; I45-E49 WeakPolarHBondContact CA-OE2 3.5Å; I45-E49 HydrophobicContact CB-CB 3.77Å; I45-E49 HydrophobicContact CG2-CB 4.03Å; D46-E49 PolarHBondContact N-OE2 3.29Å; D46-E49 PolarHBondContact O-N 2.9Å; D46-E49 PolarHBondContact OD1-N 3.12Å; E49-K51 VanDerWaalsContact C-N 3.3Å; E49-K51 PolarHBondContact O-N 3.3Å; E49-V52 WeakPolarHBondContact O-CG2 3.07Å; E49-V52 PolarHBondContact O-N 3.3Å; E49-A53 VanDerWaalsContact O-CB 3.27Å; E49-A53 WeakPolarHBondContact O-CB 3.29Å; E49-A53 PolarHBondContact O-N 3.24Å
50L97.2Very high95.1Very high0 Ų059.5 Ų59.50%031%0.312CS..Hα-helixtrans-55.8-44.9173.4176.957.5000111.9I45 D46 V52 A53 M54 V66 I69 L70 I81 F86I45-L50 HydrophobicContact CD1-CB 4.13Å; I45-L50 HydrophobicContact CD1-CD1 3.93Å; I45-L50 HydrophobicContact CG1-CB 4.34Å; D46-L50 WeakPolarHBondContact O-CB 3.47Å; D46-L50 PolarHBondContact O-N 3.01Å; L50-V52 PolarHBondContact O-N 3.3Å; L50-A53 PolarHBondContact O-N 2.98Å; L50-M54 HydrophobicContact CD1-CG 3.89Å; L50-M54 HydrophobicContact CD1-SD 3.81Å; L50-M54 HydrophobicContact CG-SD 4.22Å; L50-M54 WeakPolarHBondContact O-CB 3.36Å; L50-M54 VanDerWaalsContact O-CG 3.3Å; L50-M54 WeakPolarHBondContact O-CG 3.34Å; L50-M54 PolarHBondContact O-N 3.25Å; L50-V66 HydrophobicContact CB-CG1 4.34Å; L50-V66 HydrophobicContact CD2-CG1 3.81Å; L50-V66 HydrophobicContact CG-CG1 4.07Å; L50-I69 HydrophobicContact CD2-CB 4.12Å; L50-I69 HydrophobicContact CD2-CG2 3.71Å; L50-L70 HydrophobicContact CD2-CD2 4.15Å; L50-L70 HydrophobicContact CD2-CG 4.26Å; L50-I81 HydrophobicContact CD1-CD1 4.02Å; L50-I81 HydrophobicContact CD2-CD1 4.03Å; L50-F86 HydrophobicContact CD1-CD2 3.62Å; L50-F86 HydrophobicContact CD1-CE2 3.8Å
51K97.3Very high95.3Very high53 Ų5355.1 Ų55.123%0.2329%0.289CS..Hα-helixtrans-64-41.8-179-174.6178.2176.7-173.40112.2Y47 H48 E49 R55 V61 V66Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 2.9Å; H48-K51 WeakPolarHBondContact O-CB 3.32Å; H48-K51 PolarHBondContact O-N 3.03Å; E49-K51 VanDerWaalsContact C-N 3.3Å; E49-K51 PolarHBondContact O-N 3.3Å; K51-R55 VanDerWaalsContact CE-CZ 3.45Å; K51-R55 WeakPolarHBondContact O-CD 3.26Å; K51-R55 VanDerWaalsContact O-CG 3.26Å; K51-R55 WeakPolarHBondContact O-CG 3.47Å; K51-R55 PolarHBondContact O-N 3.18Å; K51-V61 HydrophobicContact CG-CG2 4.09Å; K51-V66 HydrophobicContact CB-CG2 4.01Å; K51-V66 HydrophobicContact CG-CG2 4.15Å
52V95.3Very high95.5Very high64 Ų6455.5 Ų55.539%0.38829%0.29SS..Hα-helixtrans-76-36.1179.3-64.80000111.7F37 H48 E49 L50 R55 A56F37-V52 HydrophobicContact CB-CG2 4.15Å; F37-V52 HydrophobicContact CD1-CB 4.06Å; F37-V52 HydrophobicContact CD1-CG2 3.24Å; F37-V52 HydrophobicContact CD2-CG2 4.43Å; F37-V52 HydrophobicContact CE1-CB 3.94Å; F37-V52 HydrophobicContact CE1-CG2 3.64Å; F37-V52 HydrophobicContact CG-CG2 3.69Å; F37-V52 HydrophobicContact CZ-CB 4.41Å; F37-V52 HydrophobicContact CZ-CG2 4.41Å; H48-V52 WeakPolarHBondContact O-CG2 3.49Å; H48-V52 PolarHBondContact O-N 2.84Å; H48-V52 VanDerWaalsContact O-N 3.07Å; E49-V52 WeakPolarHBondContact O-CG2 3.07Å; E49-V52 PolarHBondContact O-N 3.3Å; L50-V52 PolarHBondContact O-N 3.3Å; V52-R55 PolarHBondContact O-N 3.23Å; V52-A56 PolarHBondContact O-N 2.88Å
53A97.1Very high95.7Very high0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-60.6-48.517500000112.2F37 E49 L50 R55 A56 L57 F86F37-A53 HydrophobicContact CB-CB 4.08Å; F37-A53 HydrophobicContact CD2-CB 3.57Å; F37-A53 HydrophobicContact CE2-CB 4.38Å; F37-A53 HydrophobicContact CG-CB 4.11Å; E49-A53 VanDerWaalsContact O-CB 3.27Å; E49-A53 WeakPolarHBondContact O-CB 3.29Å; E49-A53 PolarHBondContact O-N 3.24Å; L50-A53 PolarHBondContact O-N 2.98Å; A53-R55 VanDerWaalsContact C-N 3.26Å; A53-R55 PolarHBondContact O-N 3.39Å; A53-A56 PolarHBondContact O-N 3.35Å; A53-L57 WeakPolarHBondContact O-CG 3.45Å; A53-L57 PolarHBondContact O-N 3.4Å; A53-L57 VanDerWaalsContact O-N 3.15Å; A53-F86 HydrophobicContact CB-CE2 3.96Å; A53-F86 HydrophobicContact CB-CZ 3.84Å
54M96.7Very high95.8Very high0 Ų054.2 Ų54.20%029%0.291CS..Hα-helixtrans-62.7-35.5176.7-67.9-17380.400112.1L50 L57 F59 V61 I69 F86 V89 W93L50-M54 HydrophobicContact CD1-CG 3.89Å; L50-M54 HydrophobicContact CD1-SD 3.81Å; L50-M54 HydrophobicContact CG-SD 4.22Å; L50-M54 WeakPolarHBondContact O-CB 3.36Å; L50-M54 VanDerWaalsContact O-CG 3.3Å; L50-M54 WeakPolarHBondContact O-CG 3.34Å; L50-M54 PolarHBondContact O-N 3.25Å; M54-L57 PolarHBondContact O-N 3.01Å; M54-F59 HydrophobicContact CB-CB 4.38Å; M54-F59 VanDerWaalsContact O-CB 3.31Å; M54-F59 WeakPolarHBondContact O-CB 3.25Å; M54-F59 WeakPolarHBondContact O-CD2 3.35Å; M54-F59 PolarHBondContact O-N 2.97Å; M54-V61 HydrophobicContact CB-CG1 3.75Å; M54-V61 HydrophobicContact CB-CG2 3.95Å; M54-V61 HydrophobicContact CE-CG1 3.61Å; M54-V61 HydrophobicContact CG-CG1 4.38Å; M54-V61 HydrophobicContact SD-CG1 3.75Å; M54-I69 HydrophobicContact CE-CD1 3.85Å; M54-I69 HydrophobicContact SD-CD1 3.55Å; M54-I69 VanDerWaalsContact SD-CD1 3.55Å; M54-F86 HydrophobicContact CG-CE2 4.15Å; M54-V89 HydrophobicContact CE-CG1 4.32Å; M54-W93 HydrophobicContact CE-CD2 3.85Å; M54-W93 HydrophobicContact CE-CE3 3.56Å; M54-W93 HydrophobicContact CE-CH2 3.93Å; M54-W93 HydrophobicContact CE-CZ2 4.17Å; M54-W93 HydrophobicContact CE-CZ3 3.62Å
55R95.9Very high95.8Very high124 Ų12456 Ų5647%0.46830%0.3SS..Hα-helixtrans-69.2-38.4175.9-75.3173.8174.2-157.7-12.2113K51 V52 A53 L57 G58 F59 V61K51-R55 VanDerWaalsContact CE-CZ 3.45Å; K51-R55 WeakPolarHBondContact O-CD 3.26Å; K51-R55 VanDerWaalsContact O-CG 3.26Å; K51-R55 WeakPolarHBondContact O-CG 3.47Å; K51-R55 PolarHBondContact O-N 3.18Å; V52-R55 PolarHBondContact O-N 3.23Å; A53-R55 VanDerWaalsContact C-N 3.26Å; A53-R55 PolarHBondContact O-N 3.39Å; R55-L57 PolarHBondContact O-N 3.27Å; R55-G58 WeakPolarHBondContact O-CA 3.49Å; R55-G58 PolarHBondContact O-N 2.86Å; R55-F59 WeakPolarHBondContact CA-O 3.39Å; R55-V61 HydrophobicContact CG-CG2 3.87Å
56A94.2Very high95.8Very high66 Ų6656 Ų5655%0.54530%0.3SS..Hα-helixtrans-62.7-32.5175.800000111.9F37 V52 A53 G58F37-A56 HydrophobicContact CE2-CB 3.39Å; F37-A56 HydrophobicContact CZ-CB 3.75Å; V52-A56 PolarHBondContact O-N 2.88Å; A53-A56 PolarHBondContact O-N 3.35Å; A56-G58 PolarHBondContact O-N 3.02Å
57L94.8Very high95.8Very high26 Ų2657.7 Ų57.714%0.13631%0.308CS..THydrogen-bonded Turntrans-77.76.5172.3-65.9171.2000114.1E29 A33 A53 M54 R55 F59 F86 V90E29-L57 HydrophobicContact CB-CD2 4.19Å; A33-L57 HydrophobicContact CB-CD1 3.88Å; A33-L57 HydrophobicContact CB-CD2 3.67Å; A33-L57 HydrophobicContact CB-CG 3.63Å; A53-L57 WeakPolarHBondContact O-CG 3.45Å; A53-L57 PolarHBondContact O-N 3.4Å; A53-L57 VanDerWaalsContact O-N 3.15Å; M54-L57 PolarHBondContact O-N 3.01Å; R55-L57 PolarHBondContact O-N 3.27Å; L57-F59 HydrophobicContact CB-CD2 3.81Å; L57-F59 HydrophobicContact CB-CE2 3.85Å; L57-F86 HydrophobicContact CD1-CE1 4.32Å; L57-F86 HydrophobicContact CD1-CZ 3.81Å; L57-V90 HydrophobicContact CD1-CG1 3.73Å; L57-V90 HydrophobicContact CD1-CG2 4.1Å
58G91.8Very high95.8Very high55 Ų5561.8 Ų61.857%0.56733%0.327SS*.THydrogen-bonded Turntrans84.58.7177.200000115.2R55 A56R55-G58 WeakPolarHBondContact O-CA 3.49Å; R55-G58 PolarHBondContact O-N 2.86Å; A56-G58 PolarHBondContact O-N 3.02Å
59F94.2Very high95.9Very high20 Ų2056.1 Ų56.19%0.08830%0.301CS..  trans-84.6126.7176.3-59.8-75.2000112M54 R55 L57 V61 V90 W93 I94 R97M54-F59 HydrophobicContact CB-CB 4.38Å; M54-F59 VanDerWaalsContact O-CB 3.31Å; M54-F59 WeakPolarHBondContact O-CB 3.25Å; M54-F59 WeakPolarHBondContact O-CD2 3.35Å; M54-F59 PolarHBondContact O-N 2.97Å; R55-F59 WeakPolarHBondContact CA-O 3.39Å; L57-F59 HydrophobicContact CB-CD2 3.81Å; L57-F59 HydrophobicContact CB-CE2 3.85Å; F59-V61 VanDerWaalsContact C-N 3.34Å; F59-V61 HydrophobicContact CB-CG1 4Å; F59-V61 PolarHBondContact O-N 3.49Å; F59-V90 HydrophobicContact CE2-CG1 3.97Å; F59-V90 HydrophobicContact CZ-CG1 4.48Å; F59-W93 HydrophobicContact CB-CE3 4.36Å; F59-W93 HydrophobicContact CB-CZ3 4.41Å; F59-W93 HydrophobicContact CD1-CB 4.42Å; F59-W93 AromaticContact CD1-CE3 3.73Å; F59-W93 HydrophobicContact CD1-CE3 3.73Å; F59-W93 HydrophobicContact CD1-CZ3 4.47Å; F59-W93 HydrophobicContact CE1-CB 3.71Å; F59-W93 HydrophobicContact CE1-CE3 4.18Å; F59-W93 HydrophobicContact CG-CE3 4.07Å; F59-W93 HydrophobicContact CZ-CB 3.84Å; F59-I94 HydrophobicContact CE2-CG1 4.33Å; F59-I94 HydrophobicContact CZ-CG1 3.69Å; F59-R97 HydrophobicContact CE1-CG 4.39Å
60D91.5Very high95.9Very high132 Ų13256.3 Ų56.371%0.70630%0.302SS*.  trans-7983.1168.5-174.522000110.9
61V95.5Very high95.8Very high0 Ų064.7 Ų64.70%034%0.338CS..  trans-88.6133.6179.3-68.30000113.1K51 M54 R55 F59 V66 W93K51-V61 HydrophobicContact CG-CG2 4.09Å; M54-V61 HydrophobicContact CB-CG1 3.75Å; M54-V61 HydrophobicContact CB-CG2 3.95Å; M54-V61 HydrophobicContact CE-CG1 3.61Å; M54-V61 HydrophobicContact CG-CG1 4.38Å; M54-V61 HydrophobicContact SD-CG1 3.75Å; R55-V61 HydrophobicContact CG-CG2 3.87Å; F59-V61 VanDerWaalsContact C-N 3.34Å; F59-V61 HydrophobicContact CB-CG1 4Å; F59-V61 PolarHBondContact O-N 3.49Å; V61-V66 HydrophobicContact CB-CG2 4.32Å; V61-V66 HydrophobicContact CG2-CG2 4.34Å; V61-W93 HydrophobicContact CG1-CH2 3.98Å; V61-W93 HydrophobicContact CG1-CZ3 3.63Å
62K96Very high95.7Very high139 Ų13966.4 Ų66.460%0.60435%0.35SS*.  trans-95.4163.4172-58.5173.9-176.5169.20110.2A64 D65 V66K62-A64 PolarHBondContact O-N 3.09Å; K62-A64 VanDerWaalsContact O-N 3.17Å; K62-D65 WeakPolarHBondContact CA-OD2 3.48Å; K62-D65 VanDerWaalsContact CB-OD2 3.28Å; K62-D65 WeakPolarHBondContact CB-OD2 3.39Å; K62-D65 PolarHBondContact N-OD2 2.94Å; K62-D65 PolarHBondContact O-N 3.23Å; K62-V66 PolarHBondContact O-N 3.1Å
63K96.9Very high95.7Very high135 Ų13565 Ų6559%0.58734%0.338SS*.Hα-helixtrans-52-39.7175.6171.8170.1-179-179.80112.6Y47 D65 L67Y47-K63 HydrophobicContact CE2-CG 4.41Å; Y47-K63 WeakPolarHBondContact OH-CG 3.47Å; K63-D65 VanDerWaalsContact C-N 3.32Å; K63-D65 PolarHBondContact O-N 2.84Å; K63-L67 HydrophobicContact CG-CD1 3.89Å; K63-L67 HydrophobicContact CG-CG 4.34Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.31Å; K63-L67 PolarHBondContact O-N 3.45Å; K63-L67 VanDerWaalsContact O-N 3.1Å
64A97.5Very high95.6Very high69 Ų6966.3 Ų66.357%0.5735%0.345SS*.Hα-helixtrans-65.3-35.8-178.900000112.5K62 K68K62-A64 PolarHBondContact O-N 3.09Å; K62-A64 VanDerWaalsContact O-N 3.17Å; A64-K68 VanDerWaalsContact O-CB 3.32Å; A64-K68 WeakPolarHBondContact O-CB 3.28Å; A64-K68 PolarHBondContact O-N 3.39Å
65D96.2Very high95.2Very high52 Ų5276 Ų7628%0.27838%0.382SS..Hα-helixtrans-68.8-47.4-179.6-50.8-48.2000110.5K62 K63 L67 K68 I69 W93K62-D65 WeakPolarHBondContact CA-OD2 3.48Å; K62-D65 VanDerWaalsContact CB-OD2 3.28Å; K62-D65 WeakPolarHBondContact CB-OD2 3.39Å; K62-D65 PolarHBondContact N-OD2 2.94Å; K62-D65 PolarHBondContact O-N 3.23Å; K63-D65 VanDerWaalsContact C-N 3.32Å; K63-D65 PolarHBondContact O-N 2.84Å; D65-L67 PolarHBondContact O-N 3.09Å; D65-K68 WeakPolarHBondContact O-CB 3.47Å; D65-K68 PolarHBondContact O-N 3.48Å; D65-K68 VanDerWaalsContact O-N 3.15Å; D65-I69 WeakPolarHBondContact O-CG1 3.39Å; D65-I69 PolarHBondContact O-N 3.01Å; D65-W93 HydrophobicContact CB-CH2 3.95Å; D65-W93 HydrophobicContact CB-CZ2 4.43Å
66V97.7Very high94.9Very high0 Ų078.2 Ų78.20%040%0.397CS..Hα-helixtrans-61.2-45.8178.1-175.30000111.2Y47 L50 K51 V61 K62 K68 I69 L70Y47-V66 HydrophobicContact CD2-CB 4.07Å; Y47-V66 HydrophobicContact CD2-CG1 3.38Å; Y47-V66 HydrophobicContact CE2-CB 3.79Å; Y47-V66 HydrophobicContact CE2-CG1 3.61Å; Y47-V66 HydrophobicContact CG-CG1 4.11Å; L50-V66 HydrophobicContact CB-CG1 4.34Å; L50-V66 HydrophobicContact CD2-CG1 3.81Å; L50-V66 HydrophobicContact CG-CG1 4.07Å; K51-V66 HydrophobicContact CB-CG2 4.01Å; K51-V66 HydrophobicContact CG-CG2 4.15Å; V61-V66 HydrophobicContact CB-CG2 4.32Å; V61-V66 HydrophobicContact CG2-CG2 4.34Å; K62-V66 PolarHBondContact O-N 3.1Å; V66-K68 VanDerWaalsContact C-N 3.28Å; V66-K68 PolarHBondContact O-N 3.49Å; V66-I69 PolarHBondContact O-N 3.38Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 2.95Å
67L96.9Very high94.8Very high84 Ų8479.3 Ų79.344%0.4441%0.407SS..Hα-helixtrans-64-34177-71.3176.7000112.6Y47 K63 D65 K71Y47-L67 HydrophobicContact CD2-CD2 3.92Å; Y47-L67 HydrophobicContact CD2-CG 4.42Å; Y47-L67 HydrophobicContact CE2-CD2 3.94Å; Y47-L67 HydrophobicContact CE2-CG 4.02Å; K63-L67 HydrophobicContact CG-CD1 3.89Å; K63-L67 HydrophobicContact CG-CG 4.34Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.31Å; K63-L67 PolarHBondContact O-N 3.45Å; K63-L67 VanDerWaalsContact O-N 3.1Å; D65-L67 PolarHBondContact O-N 3.09Å; L67-K71 VanDerWaalsContact O-CB 3.29Å; L67-K71 WeakPolarHBondContact O-CB 3.4Å; L67-K71 PolarHBondContact O-N 2.97Å
68K96.7Very high94.7Very high134 Ų13482.1 Ų82.158%0.58343%0.425SS*.Hα-helixtrans-68.1-44.5175.6-177.5-174.8172.9-164.10110.8A64 D65 V66 K71 D72A64-K68 VanDerWaalsContact O-CB 3.32Å; A64-K68 WeakPolarHBondContact O-CB 3.28Å; A64-K68 PolarHBondContact O-N 3.39Å; D65-K68 WeakPolarHBondContact O-CB 3.47Å; D65-K68 PolarHBondContact O-N 3.48Å; D65-K68 VanDerWaalsContact O-N 3.15Å; V66-K68 VanDerWaalsContact C-N 3.28Å; V66-K68 PolarHBondContact O-N 3.49Å; K68-K71 PolarHBondContact O-N 2.71Å; K68-D72 WeakPolarHBondContact O-CB 3.42Å; K68-D72 VanDerWaalsContact O-CG 3.27Å; K68-D72 PolarHBondContact O-N 2.66Å
69I97Very high94.9Very high10 Ų1081.1 Ų81.15%0.05142%0.415CS..Hα-helixtrans-58.1-52.4176.6-68.7159.7000110.3L50 M54 D65 V66 K71 D72 Y73 I81 V89 W93L50-I69 HydrophobicContact CD2-CB 4.12Å; L50-I69 HydrophobicContact CD2-CG2 3.71Å; M54-I69 HydrophobicContact CE-CD1 3.85Å; M54-I69 HydrophobicContact SD-CD1 3.55Å; M54-I69 VanDerWaalsContact SD-CD1 3.55Å; D65-I69 WeakPolarHBondContact O-CG1 3.39Å; D65-I69 PolarHBondContact O-N 3.01Å; V66-I69 PolarHBondContact O-N 3.38Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.06Å; I69-D72 PolarHBondContact O-N 3.36Å; I69-Y73 HydrophobicContact CG2-CD2 4.26Å; I69-Y73 WeakPolarHBondContact O-CD2 3.44Å; I69-Y73 PolarHBondContact O-N 3.42Å; I69-I81 HydrophobicContact CG2-CD1 4.04Å; I69-V89 HydrophobicContact CD1-CG1 3.75Å; I69-V89 HydrophobicContact CG1-CG1 3.95Å; I69-V89 HydrophobicContact CG2-CG1 4.2Å; I69-V89 HydrophobicContact CG2-CG2 3.83Å; I69-W93 HydrophobicContact CD1-CZ2 4.3Å
70L96.5Very high95Very high19 Ų1982.1 Ų82.110%0.09942%0.419CS..Hα-helixtrans-56.3-47177.3-68.6175000111Y47 L50 V66 D72 Y73 D74 I81Y47-L70 HydrophobicContact CD2-CD1 4.01Å; Y47-L70 HydrophobicContact CG-CD1 4.39Å; L50-L70 HydrophobicContact CD2-CD2 4.15Å; L50-L70 HydrophobicContact CD2-CG 4.26Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 2.95Å; L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 3.31Å; L70-Y73 PolarHBondContact O-N 3.38Å; L70-D74 WeakPolarHBondContact O-CA 3.16Å; L70-D74 WeakPolarHBondContact O-CB 3.49Å; L70-D74 PolarHBondContact O-N 3.1Å; L70-I81 HydrophobicContact CD2-CG2 3.94Å
71K95.2Very high95.3Very high176 Ų17676 Ų7677%0.76539%0.386SS*.Hα-helixtrans-59.5-36.1177.9-176.5-175.4175.3-173.70113.5L67 K68 I69L67-K71 VanDerWaalsContact O-CB 3.29Å; L67-K71 WeakPolarHBondContact O-CB 3.4Å; L67-K71 PolarHBondContact O-N 2.97Å; K68-K71 PolarHBondContact O-N 2.71Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.06Å
72D95.5Very high95.3Very high90 Ų9078.6 Ų78.648%0.48140%0.402SS..Hα-helixtrans-83.2-27.7-175-70.4-16.1000112.3K68 I69 L70K68-D72 WeakPolarHBondContact O-CB 3.42Å; K68-D72 VanDerWaalsContact O-CG 3.27Å; K68-D72 PolarHBondContact O-N 2.66Å; I69-D72 PolarHBondContact O-N 3.36Å; L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 3.31Å
73Y95.5Very high95.3Very high35 Ų3574.9 Ų74.914%0.13739%0.386CS..Hα-helixtrans-113.6-31.2-173-72-94000114.7I69 L70 R75 D85 E88 V89I69-Y73 HydrophobicContact CG2-CD2 4.26Å; I69-Y73 WeakPolarHBondContact O-CD2 3.44Å; I69-Y73 PolarHBondContact O-N 3.42Å; L70-Y73 PolarHBondContact O-N 3.38Å; Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 2.84Å; Y73-D85 HydrophobicContact CD1-CB 3.79Å; Y73-D85 HydrophobicContact CG-CB 4.27Å; Y73-E88 HydrophobicContact CE1-CB 4.3Å; Y73-E88 HydrophobicContact CE1-CG 4.32Å; Y73-E88 PolarHBondContact OH-OE1 3.49Å; Y73-V89 HydrophobicContact CD1-CG2 4.28Å; Y73-V89 HydrophobicContact CD2-CG2 3.66Å; Y73-V89 HydrophobicContact CE1-CG2 4.01Å; Y73-V89 HydrophobicContact CE2-CG2 3.35Å; Y73-V89 HydrophobicContact CG-CG2 4.14Å
74D94.5Very high95.3Very high27 Ų2774.5 Ų74.514%0.14439%0.386CS..  trans-7875.4174.6178.222.7000111.2L70 E76 A77 T78 G79 K80 I81L70-D74 WeakPolarHBondContact O-CA 3.16Å; L70-D74 WeakPolarHBondContact O-CB 3.49Å; L70-D74 PolarHBondContact O-N 3.1Å; D74-E76 PolarHBondContact O-N 3.3Å; D74-A77 PolarHBondContact O-N 2.81Å; D74-A77 PolarHBondContact OD1-N 2.89Å; D74-A77 VanDerWaalsContact OD2-C 3.31Å; D74-A77 VanDerWaalsContact OD2-CA 3.26Å; D74-A77 WeakPolarHBondContact OD2-CA 3.39Å; D74-T78 VanDerWaalsContact CG-N 3.31Å; D74-T78 PolarHBondContact OD1-N 2.96Å; D74-T78 PolarHBondContact OD1-OG1 3.08Å; D74-T78 PolarHBondContact OD2-N 3.31Å; D74-G79 WeakPolarHBondContact OD2-CA 3.21Å; D74-G79 PolarHBondContact OD2-N 3.16Å; D74-K80 WeakPolarHBondContact CB-O 3.12Å; D74-I81 HydrophobicContact CB-CG2 4.3Å
75R89.4Confident95.2Very high204 Ų20472.4 Ų72.477%0.7737%0.366SS*.THydrogen-bonded Turntrans-66.4-23.7-176.7-63.2173.6-167.3150.19.8113Y73Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 2.84Å
76E90.1Very high95.3Very high170 Ų17070 Ų7079%0.79435%0.352SS*.THydrogen-bonded Turntrans-96.8-0-175.9-61.6-170.6175.800113D74 T78D74-E76 PolarHBondContact O-N 3.3Å; E76-T78 HydrophobicContact CB-CG2 3.78Å; E76-T78 PolarHBondContact O-N 3.08Å
77A91.3Very high95.2Very high89 Ų8972.3 Ų72.374%0.73637%0.365SS*.  trans56.438.3-177.600000113D74 G79D74-A77 PolarHBondContact O-N 2.81Å; D74-A77 PolarHBondContact OD1-N 2.89Å; D74-A77 VanDerWaalsContact OD2-C 3.31Å; D74-A77 VanDerWaalsContact OD2-CA 3.26Å; D74-A77 WeakPolarHBondContact OD2-CA 3.39Å; A77-G79 VanDerWaalsContact C-N 3.32Å
78T93.7Very high95.2Very high85 Ų8572 Ų7252%0.52136%0.361SS..  trans-76.3-21.7177.462.60000112.5D74 E76 K80D74-T78 VanDerWaalsContact CG-N 3.31Å; D74-T78 PolarHBondContact OD1-N 2.96Å; D74-T78 PolarHBondContact OD1-OG1 3.08Å; D74-T78 PolarHBondContact OD2-N 3.31Å; E76-T78 HydrophobicContact CB-CG2 3.78Å; E76-T78 PolarHBondContact O-N 3.08Å; T78-K80 VanDerWaalsContact C-N 3.32Å; T78-K80 PolarHBondContact OG1-N 2.94Å; T78-K80 VanDerWaalsContact OG1-N 3.09Å; T78-K80 PolarHBondContact OG1-O 2.89Å
79G94.7Very high95.1Very high34 Ų3465.8 Ų65.835%0.35133%0.334SS..SBendtrans83.43.8-168.300000114.1D74 A77D74-G79 WeakPolarHBondContact OD2-CA 3.21Å; D74-G79 PolarHBondContact OD2-N 3.16Å; A77-G79 VanDerWaalsContact C-N 3.32Å
80K96.8Very high95.1Very high41 Ų4165.3 Ų65.318%0.17833%0.332CS..EExtended strand (participates in β ladder)trans-129.9162.2-175.2-58.5-166.6168.1-158.60111.8D40 D42 A44 I45 D46 D74 T78D40-K80 IonicContact OD1-NZ 2.81Å; D40-K80 IonicContact OD2-NZ 2.66Å; D40-K80 PolarHBondContact OD2-NZ 3.21Å; D42-K80 IonicContact OD1-NZ 2.84Å; D42-K80 PolarHBondContact OD1-NZ 3.27Å; D42-K80 VanDerWaalsContact OD1-NZ 3.11Å; D42-K80 WeakPolarHBondContact OD2-CD 3.46Å; D42-K80 WeakPolarHBondContact OD2-CE 3.42Å; D42-K80 IonicContact OD2-NZ 3.42Å; D42-K80 PolarHBondContact OD2-NZ 2.96Å; A44-K80 HydrophobicContact CB-CB 3.9Å; A44-K80 HydrophobicContact CB-CD 4.02Å; I45-K80 VanDerWaalsContact O-CA 3.29Å; I45-K80 WeakPolarHBondContact O-CA 3.27Å; D46-K80 HydrophobicContact CB-CG 4.07Å; D74-K80 WeakPolarHBondContact CB-O 3.12Å; T78-K80 VanDerWaalsContact C-N 3.32Å; T78-K80 PolarHBondContact OG1-N 2.94Å; T78-K80 VanDerWaalsContact OG1-N 3.09Å; T78-K80 PolarHBondContact OG1-O 2.89Å
81I97.1Very high95Very high2 Ų265.5 Ų65.51%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-129148.9170.862168.7000110.3A44 I45 L50 I69 L70 D74 D85 F86A44-I81 CarbonylContact C-O 3.53Å; A44-I81 WeakPolarHBondContact CA-O 3.5Å; A44-I81 WeakPolarHBondContact CB-O 3.28Å; I45-I81 HydrophobicContact CD1-CG1 4.4Å; I45-I81 HydrophobicContact CG1-CD1 4.43Å; I45-I81 HydrophobicContact CG1-CG1 3.78Å; I45-I81 PolarHBondContact N-O 3.29Å; I45-I81 PolarHBondContact O-N 3.38Å; L50-I81 HydrophobicContact CD1-CD1 4.02Å; L50-I81 HydrophobicContact CD2-CD1 4.03Å; I69-I81 HydrophobicContact CG2-CD1 4.04Å; L70-I81 HydrophobicContact CD2-CG2 3.94Å; D74-I81 HydrophobicContact CB-CG2 4.3Å; I81-D85 HydrophobicContact CB-CB 3.87Å; I81-D85 HydrophobicContact CD1-CB 4.42Å; I81-D85 HydrophobicContact CG2-CB 4.5Å; I81-F86 HydrophobicContact CD1-CB 4.14Å
82T96.5Very high95Very high55 Ų5558 Ų5834%0.33730%0.302SS..EExtended strand (participates in β ladder)trans-79.4173.7179.675.10000111.7E84 D85 F86T82-E84 VanDerWaalsContact C-N 3.29Å; T82-E84 WeakPolarHBondContact CB-OE2 3.33Å; T82-E84 PolarHBondContact O-N 3.15Å; T82-E84 PolarHBondContact OG1-N 3.33Å; T82-E84 PolarHBondContact OG1-OE2 3.33Å; T82-D85 PolarHBondContact N-OD2 3.38Å; T82-D85 PolarHBondContact O-N 2.97Å; T82-F86 PolarHBondContact O-N 3.46Å
83F96.5Very high94.9Very high62 Ų6257 Ų5727%0.27229%0.292SS..Hα-helixtrans-57.1-40.6171.8174.4-109.9000112.7I30 K31 F34 D85 F86 N87I30-F83 HydrophobicContact CG2-CE2 4.33Å; K31-F83 HydrophobicContact CB-CE2 4.24Å; K31-F83 HydrophobicContact CB-CZ 4.28Å; K31-F83 HydrophobicContact CG-CE2 4.46Å; K31-F83 HydrophobicContact CG-CZ 4.48Å; F34-F83 HydrophobicContact CB-CD2 3.83Å; F34-F83 HydrophobicContact CB-CE2 4.23Å; F34-F83 HydrophobicContact CD1-CB 4.15Å; F34-F83 AromaticContact CD1-CD2 3.91Å; F34-F83 HydrophobicContact CD1-CD2 3.91Å; F34-F83 HydrophobicContact CD1-CG 4.43Å; F34-F83 HydrophobicContact CD2-CB 4.29Å; F34-F83 AromaticContact CD2-CD2 3.97Å; F34-F83 HydrophobicContact CD2-CD2 3.97Å; F34-F83 HydrophobicContact CE1-CB 3.88Å; F34-F83 HydrophobicContact CE1-CD2 4.5Å; F34-F83 VanDerWaalsContact CE2-CA 3.47Å; F34-F83 HydrophobicContact CE2-CB 4.01Å; F34-F83 HydrophobicContact CG-CB 4.35Å; F34-F83 AromaticContact CG-CD2 3.62Å; F34-F83 HydrophobicContact CG-CD2 3.62Å; F34-F83 HydrophobicContact CG-CE2 4.49Å; F34-F83 HydrophobicContact CG-CG 4.46Å; F34-F83 HydrophobicContact CZ-CB 3.81Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-D85 PolarHBondContact O-N 2.87Å; F83-F86 PolarHBondContact O-N 3.31Å; F83-N87 HydrophobicContact CE1-CB 4.4Å; F83-N87 HydrophobicContact CE2-CB 4.23Å; F83-N87 HydrophobicContact CZ-CB 4.1Å; F83-N87 WeakPolarHBondContact O-CB 3.46Å; F83-N87 PolarHBondContact O-N 3.13Å
84E95.9Very high94.7Very high126 Ų12656.1 Ų56.159%0.58929%0.289SS*.Hα-helixtrans-61-43.6179.9-65.474.8-162.800111.8T82 E88T82-E84 VanDerWaalsContact C-N 3.29Å; T82-E84 WeakPolarHBondContact CB-OE2 3.33Å; T82-E84 PolarHBondContact O-N 3.15Å; T82-E84 PolarHBondContact OG1-N 3.33Å; T82-E84 PolarHBondContact OG1-OE2 3.33Å; E84-E88 PolarHBondContact O-N 2.9Å
85D96.5Very high94.5Very high26 Ų2656.2 Ų56.214%0.13929%0.29CS..Hα-helixtrans-65.4-46.7176.9-68.5-35.9000111Y73 I81 T82 F83 E88 V89Y73-D85 HydrophobicContact CD1-CB 3.79Å; Y73-D85 HydrophobicContact CG-CB 4.27Å; I81-D85 HydrophobicContact CB-CB 3.87Å; I81-D85 HydrophobicContact CD1-CB 4.42Å; I81-D85 HydrophobicContact CG2-CB 4.5Å; T82-D85 PolarHBondContact N-OD2 3.38Å; T82-D85 PolarHBondContact O-N 2.97Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-D85 PolarHBondContact O-N 2.87Å; D85-E88 PolarHBondContact O-N 3.01Å; D85-V89 VanDerWaalsContact O-CG2 3.29Å; D85-V89 WeakPolarHBondContact O-CG2 3.35Å; D85-V89 PolarHBondContact O-N 3.07Å
86F97Very high94.6Very high0 Ų053.5 Ų53.50%029%0.286CS..Hα-helixtrans-60-47.4177177.6-106.4000111.8I30 F34 I45 L50 A53 M54 L57 I81 T82 F83 E88 V89 V90I30-F86 HydrophobicContact CG2-CD1 3.95Å; I30-F86 HydrophobicContact CG2-CE1 3.81Å; I30-F86 WeakPolarHBondContact O-CE1 3.21Å; F34-F86 HydrophobicContact CB-CD1 3.85Å; F34-F86 HydrophobicContact CB-CE1 3.87Å; F34-F86 HydrophobicContact CD2-CB 3.84Å; F34-F86 AromaticContact CD2-CD1 3.64Å; F34-F86 HydrophobicContact CD2-CD1 3.64Å; F34-F86 HydrophobicContact CD2-CE1 4.33Å; F34-F86 AromaticContact CD2-CG 3.81Å; F34-F86 HydrophobicContact CD2-CG 3.81Å; F34-F86 HydrophobicContact CE2-CB 4.14Å; F34-F86 HydrophobicContact CG-CD1 4.21Å; I45-F86 HydrophobicContact CD1-CB 4.15Å; I45-F86 HydrophobicContact CD1-CD2 3.45Å; I45-F86 VanDerWaalsContact CD1-CD2 3.45Å; I45-F86 HydrophobicContact CD1-CE2 3.9Å; I45-F86 HydrophobicContact CD1-CG 3.85Å; L50-F86 HydrophobicContact CD1-CD2 3.62Å; L50-F86 HydrophobicContact CD1-CE2 3.8Å; A53-F86 HydrophobicContact CB-CE2 3.96Å; A53-F86 HydrophobicContact CB-CZ 3.84Å; M54-F86 HydrophobicContact CG-CE2 4.15Å; L57-F86 HydrophobicContact CD1-CE1 4.32Å; L57-F86 HydrophobicContact CD1-CZ 3.81Å; I81-F86 HydrophobicContact CD1-CB 4.14Å; T82-F86 PolarHBondContact O-N 3.46Å; F83-F86 PolarHBondContact O-N 3.31Å; F86-E88 VanDerWaalsContact C-N 3.31Å; F86-E88 PolarHBondContact O-N 3.12Å; F86-V89 PolarHBondContact O-N 2.84Å; F86-V90 HydrophobicContact CD1-CG2 4.29Å; F86-V90 HydrophobicContact CD2-CG2 3.89Å; F86-V90 HydrophobicContact CE1-CG2 3.97Å; F86-V90 HydrophobicContact CE2-CG2 3.55Å; F86-V90 HydrophobicContact CG-CG2 4.28Å; F86-V90 HydrophobicContact CZ-CG2 3.61Å; F86-V90 WeakPolarHBondContact O-CB 3.3Å; F86-V90 WeakPolarHBondContact O-CG2 3.49Å; F86-V90 PolarHBondContact O-N 3.47Å
87N96.5Very high94.6Very high49 Ų4949 Ų4926%0.26226%0.262SS..Hα-helixtrans-61.1-40178.2176.471.6000111.5I30 F83 T91I30-N87 HydrophobicContact CG2-CB 4.23Å; F83-N87 HydrophobicContact CE1-CB 4.4Å; F83-N87 HydrophobicContact CE2-CB 4.23Å; F83-N87 HydrophobicContact CZ-CB 4.1Å; F83-N87 WeakPolarHBondContact O-CB 3.46Å; F83-N87 PolarHBondContact O-N 3.13Å; N87-T91 WeakPolarHBondContact O-CB 3.36Å; N87-T91 PolarHBondContact O-N 2.89Å; N87-T91 PolarHBondContact O-OG1 3.49Å
88E95.7Very high94.5Very high78 Ų7848.8 Ų48.836%0.36425%0.248SC..Hα-helixtrans-62.4-49.4174.8-171.7-175.2132.700111.7Y73 E84 D85 F86 T91 D92Y73-E88 HydrophobicContact CE1-CB 4.3Å; Y73-E88 HydrophobicContact CE1-CG 4.32Å; Y73-E88 PolarHBondContact OH-OE1 3.49Å; E84-E88 PolarHBondContact O-N 2.9Å; D85-E88 PolarHBondContact O-N 3.01Å; F86-E88 VanDerWaalsContact C-N 3.31Å; F86-E88 PolarHBondContact O-N 3.12Å; E88-T91 PolarHBondContact O-N 3.42Å; E88-D92 PolarHBondContact O-N 3.25Å
89V95.9Very high94.2Very high3 Ų348 Ų482%0.01824%0.244CC..Hα-helixtrans-59.3-51.1-179.6169.70000110.9M54 I69 Y73 D85 F86 D92 W93M54-V89 HydrophobicContact CE-CG1 4.32Å; I69-V89 HydrophobicContact CD1-CG1 3.75Å; I69-V89 HydrophobicContact CG1-CG1 3.95Å; I69-V89 HydrophobicContact CG2-CG1 4.2Å; I69-V89 HydrophobicContact CG2-CG2 3.83Å; Y73-V89 HydrophobicContact CD1-CG2 4.28Å; Y73-V89 HydrophobicContact CD2-CG2 3.66Å; Y73-V89 HydrophobicContact CE1-CG2 4.01Å; Y73-V89 HydrophobicContact CE2-CG2 3.35Å; Y73-V89 HydrophobicContact CG-CG2 4.14Å; D85-V89 VanDerWaalsContact O-CG2 3.29Å; D85-V89 WeakPolarHBondContact O-CG2 3.35Å; D85-V89 PolarHBondContact O-N 3.07Å; F86-V89 PolarHBondContact O-N 2.84Å; V89-D92 PolarHBondContact O-N 3.46Å; V89-W93 PolarHBondContact O-N 3.23Å; V89-W93 VanDerWaalsContact O-N 3.09Å
90V96.4Very high94Very high0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-68.6-38.8-176.9175.70000111I30 L57 F59 F86 D92 W93 I94I30-V90 HydrophobicContact CD1-CB 4.3Å; I30-V90 HydrophobicContact CD1-CG1 3.81Å; I30-V90 HydrophobicContact CG1-CB 4.37Å; I30-V90 HydrophobicContact CG1-CG1 3.63Å; I30-V90 HydrophobicContact CG2-CB 4.43Å; I30-V90 HydrophobicContact CG2-CG1 4.46Å; L57-V90 HydrophobicContact CD1-CG1 3.73Å; L57-V90 HydrophobicContact CD1-CG2 4.1Å; F59-V90 HydrophobicContact CE2-CG1 3.97Å; F59-V90 HydrophobicContact CZ-CG1 4.48Å; F86-V90 HydrophobicContact CD1-CG2 4.29Å; F86-V90 HydrophobicContact CD2-CG2 3.89Å; F86-V90 HydrophobicContact CE1-CG2 3.97Å; F86-V90 HydrophobicContact CE2-CG2 3.55Å; F86-V90 HydrophobicContact CG-CG2 4.28Å; F86-V90 HydrophobicContact CZ-CG2 3.61Å; F86-V90 WeakPolarHBondContact O-CB 3.3Å; F86-V90 WeakPolarHBondContact O-CG2 3.49Å; F86-V90 PolarHBondContact O-N 3.47Å; V90-D92 PolarHBondContact O-N 3.32Å; V90-W93 PolarHBondContact O-N 3.21Å; V90-W93 VanDerWaalsContact O-N 3.17Å; V90-I94 HydrophobicContact CG1-CD1 3.89Å; V90-I94 HydrophobicContact CG1-CG1 4.11Å; V90-I94 WeakPolarHBondContact O-CG1 3.35Å; V90-I94 PolarHBondContact O-N 2.84Å
91T95.2Very high93.8Very high24 Ų2453.3 Ų53.315%0.14726%0.26CS..Hα-helixtrans-57.4-49.2173.3-65.50000111L22 N87 E88 W93 I94 L95L22-T91 HydrophobicContact CD1-CG2 3.87Å; L22-T91 WeakPolarHBondContact CD1-OG1 3.33Å; L22-T91 HydrophobicContact CD2-CG2 4.46Å; L22-T91 HydrophobicContact CG-CG2 3.98Å; N87-T91 WeakPolarHBondContact O-CB 3.36Å; N87-T91 PolarHBondContact O-N 2.89Å; N87-T91 PolarHBondContact O-OG1 3.49Å; E88-T91 PolarHBondContact O-N 3.42Å; T91-W93 VanDerWaalsContact C-N 3.25Å; T91-W93 PolarHBondContact O-N 3.33Å; T91-I94 PolarHBondContact O-N 3.21Å; T91-L95 HydrophobicContact CG2-CD1 3.87Å; T91-L95 HydrophobicContact CG2-CG 4.28Å; T91-L95 WeakPolarHBondContact O-CB 3.32Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 2.99Å
92D93.5Very high93.6Very high17 Ų1755.3 Ų55.39%0.09127%0.27CS..Hα-helixtrans-56.1-43.7177.5-83.819.6000110.7K13 K17 E88 V89 V90 L95 E96K13-D92 IonicContact NZ-OD2 3.11Å; K13-D92 PolarHBondContact NZ-OD2 3.44Å; K17-D92 WeakPolarHBondContact CE-OD1 3.31Å; K17-D92 IonicContact NZ-OD1 3.59Å; K17-D92 PolarHBondContact NZ-OD1 3.39Å; E88-D92 PolarHBondContact O-N 3.25Å; V89-D92 PolarHBondContact O-N 3.46Å; V90-D92 PolarHBondContact O-N 3.32Å; D92-L95 PolarHBondContact O-N 3.47Å; D92-E96 WeakPolarHBondContact O-CG 3.26Å; D92-E96 PolarHBondContact O-N 3.5Å; D92-E96 VanDerWaalsContact O-N 3.08Å
93W93.9Very high93.5Very high70 Ų7053.5 Ų53.527%0.26526%0.258SS..Hα-helixtrans-71.6-38.6-178.1-76.241000113.6M54 F59 V61 D65 I69 V89 V90 T91 L95 E96 R97M54-W93 HydrophobicContact CE-CD2 3.85Å; M54-W93 HydrophobicContact CE-CE3 3.56Å; M54-W93 HydrophobicContact CE-CH2 3.93Å; M54-W93 HydrophobicContact CE-CZ2 4.17Å; M54-W93 HydrophobicContact CE-CZ3 3.62Å; F59-W93 HydrophobicContact CB-CE3 4.36Å; F59-W93 HydrophobicContact CB-CZ3 4.41Å; F59-W93 HydrophobicContact CD1-CB 4.42Å; F59-W93 AromaticContact CD1-CE3 3.73Å; F59-W93 HydrophobicContact CD1-CE3 3.73Å; F59-W93 HydrophobicContact CD1-CZ3 4.47Å; F59-W93 HydrophobicContact CE1-CB 3.71Å; F59-W93 HydrophobicContact CE1-CE3 4.18Å; F59-W93 HydrophobicContact CG-CE3 4.07Å; F59-W93 HydrophobicContact CZ-CB 3.84Å; V61-W93 HydrophobicContact CG1-CH2 3.98Å; V61-W93 HydrophobicContact CG1-CZ3 3.63Å; D65-W93 HydrophobicContact CB-CH2 3.95Å; D65-W93 HydrophobicContact CB-CZ2 4.43Å; I69-W93 HydrophobicContact CD1-CZ2 4.3Å; V89-W93 PolarHBondContact O-N 3.23Å; V89-W93 VanDerWaalsContact O-N 3.09Å; V90-W93 PolarHBondContact O-N 3.21Å; V90-W93 VanDerWaalsContact O-N 3.17Å; T91-W93 VanDerWaalsContact C-N 3.25Å; T91-W93 PolarHBondContact O-N 3.33Å; W93-L95 VanDerWaalsContact C-N 3.31Å; W93-E96 PolarHBondContact O-N 3.1Å; W93-R97 PolarHBondContact O-N 3.42Å
94I92.2Very high93.5Very high16 Ų1652.6 Ų52.68%0.08226%0.256CS..Hα-helixtrans-62.4-43173.5-67.4177.5000109.9L22 I30 F59 V90 T91 E96 R97L22-I94 HydrophobicContact CD1-CD1 4.39Å; L22-I94 HydrophobicContact CD2-CB 3.91Å; L22-I94 HydrophobicContact CD2-CD1 4.43Å; L22-I94 HydrophobicContact CD2-CG2 3.51Å; I30-I94 HydrophobicContact CD1-CD1 3.91Å; I30-I94 HydrophobicContact CG1-CD1 4.09Å; F59-I94 HydrophobicContact CE2-CG1 4.33Å; F59-I94 HydrophobicContact CZ-CG1 3.69Å; V90-I94 HydrophobicContact CG1-CD1 3.89Å; V90-I94 HydrophobicContact CG1-CG1 4.11Å; V90-I94 WeakPolarHBondContact O-CG1 3.35Å; V90-I94 PolarHBondContact O-N 2.84Å; T91-I94 PolarHBondContact O-N 3.21Å; I94-E96 PolarHBondContact O-N 3.27Å; I94-R97 WeakPolarHBondContact O-CB 3.45Å; I94-R97 PolarHBondContact O-N 3.39Å; I94-R97 VanDerWaalsContact O-N 3.12Å
95L90.5Very high93.4Very high30 Ų3051 Ų5116%0.15725%0.247CC..Hα-helixtrans-69.1-23.9-179.4-66.1-178.2000113.4K17 R20 L22 T91 D92 W93K17-L95 HydrophobicContact CG-CD1 4.38Å; R20-L95 HydrophobicContact CB-CD2 3.64Å; R20-L95 PolarHBondContact NH1-O 3.03Å; R20-L95 WeakPolarHBondContact O-CD1 3.32Å; R20-L95 WeakPolarHBondContact O-CD2 3.12Å; L22-L95 HydrophobicContact CD2-CD2 3.71Å; L22-L95 HydrophobicContact CD2-CG 4.08Å; T91-L95 HydrophobicContact CG2-CD1 3.87Å; T91-L95 HydrophobicContact CG2-CG 4.28Å; T91-L95 WeakPolarHBondContact O-CB 3.32Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 2.99Å; D92-L95 PolarHBondContact O-N 3.47Å; W93-L95 VanDerWaalsContact C-N 3.31Å
96E90.7Very high93.3Very high146 Ų14651.1 Ų51.168%0.68225%0.251SS*.Hα-helixtrans-78.8-16.6173-76.1178.9-17700113.4D92 W93 I94D92-E96 WeakPolarHBondContact O-CG 3.26Å; D92-E96 PolarHBondContact O-N 3.5Å; D92-E96 VanDerWaalsContact O-N 3.08Å; W93-E96 PolarHBondContact O-N 3.1Å; I94-E96 PolarHBondContact O-N 3.27Å
97R89.7Confident93.3Very high77 Ų7751.4 Ų51.429%0.29125%0.252SS..SBendtrans-65.7136.9175.5-68.816985.5170.7-4.4110.9R20 F59 W93 I94 P99 E102R20-R97 PolarHBondContact NH1-O 3.31Å; R20-R97 VanDerWaalsContact NH1-O 3.13Å; F59-R97 HydrophobicContact CE1-CG 4.39Å; W93-R97 PolarHBondContact O-N 3.42Å; I94-R97 WeakPolarHBondContact O-CB 3.45Å; I94-R97 PolarHBondContact O-N 3.39Å; I94-R97 VanDerWaalsContact O-N 3.12Å; R97-P99 WeakPolarHBondContact O-CD 3.1Å; R97-E102 HydrophobicContact CB-CG 4.15Å; R97-E102 HydrophobicContact CG-CG 4.49Å; R97-E102 IonicContact CZ-OE2 2.9Å; R97-E102 IonicContact NE-OE1 3.03Å; R97-E102 PolarHBondContact NE-OE1 3.17Å; R97-E102 IonicContact NE-OE2 2.62Å; R97-E102 PolarHBondContact NE-OE2 3.08Å; R97-E102 VanDerWaalsContact NH2-CD 3.31Å; R97-E102 IonicContact NH2-OE2 2.8Å; R97-E102 PolarHBondContact NH2-OE2 3.35Å
98D89.1Confident93.3Very high84 Ų8455.7 Ų55.745%0.44927%0.269SS..  trans-83.5112.8166.4-174.7-15.2000108.6H100 E101 E102D98-H100 PolarHBondContact O-N 3.1Å; D98-H100 VanDerWaalsContact O-N 3.16Å; D98-H100 WeakPolarHBondContact OD1-CB 3.4Å; D98-H100 PolarHBondContact OD1-N 3.48Å; D98-E101 HydrophobicContact CB-CB 3.96Å; D98-E101 PolarHBondContact O-N 3.35Å; D98-E101 VanDerWaalsContact O-N 3.08Å; D98-E102 WeakPolarHBondContact O-CG 3.46Å; D98-E102 PolarHBondContact O-N 3.46Å; D98-E102 VanDerWaalsContact O-N 3.08Å
99P87.1Confident93.2Very high68 Ų6858.1 Ų58.144%0.44228%0.283SS..Hα-helixtrans-53.3-36.4178.4-25.135.3000113R20 R97 E102 I103R20-P99 VanDerWaalsContact NH2-CG 3.29Å; R97-P99 WeakPolarHBondContact O-CD 3.1Å; P99-E102 PolarHBondContact O-N 3.17Å; P99-I103 VanDerWaalsContact O-CG1 3.25Å; P99-I103 WeakPolarHBondContact O-CG1 3.35Å; P99-I103 PolarHBondContact O-N 3.31Å
100H91.1Very high93.3Very high90 Ų9060.3 Ų60.342%0.41729%0.293SS..Hα-helixtrans-66.6-44179.8-178.3-90.1000111.1D98 E102 I103 L104D98-H100 PolarHBondContact O-N 3.1Å; D98-H100 VanDerWaalsContact O-N 3.16Å; D98-H100 WeakPolarHBondContact OD1-CB 3.4Å; D98-H100 PolarHBondContact OD1-N 3.48Å; H100-E102 VanDerWaalsContact C-N 3.28Å; H100-E102 PolarHBondContact O-N 3.06Å; H100-I103 PolarHBondContact O-N 2.83Å; H100-L104 WeakPolarHBondContact O-CG 3.44Å; H100-L104 PolarHBondContact O-N 2.96Å
101E93Very high93.4Very high97 Ų9760.6 Ų60.645%0.45329%0.294SS..Hα-helixtrans-62.1-37.4175.8-163.9-169.314200111.8D98 L104 K105D98-E101 HydrophobicContact CB-CB 3.96Å; D98-E101 PolarHBondContact O-N 3.35Å; D98-E101 VanDerWaalsContact O-N 3.08Å; E101-L104 PolarHBondContact O-N 3.02Å; E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 2.86Å; E101-K105 WeakPolarHBondContact OE1-CE 3.43Å; E101-K105 IonicContact OE1-NZ 3.16Å; E101-K105 PolarHBondContact OE1-NZ 2.71Å
102E92.4Very high93.4Very high44 Ų4463.5 Ų63.521%0.20631%0.309CS..Hα-helixtrans-68.2-39.7177.4-63.4-50.9138.900112.8R97 D98 P99 H100 L104 K105 A106R97-E102 HydrophobicContact CB-CG 4.15Å; R97-E102 HydrophobicContact CG-CG 4.49Å; R97-E102 IonicContact CZ-OE2 2.9Å; R97-E102 IonicContact NE-OE1 3.03Å; R97-E102 PolarHBondContact NE-OE1 3.17Å; R97-E102 IonicContact NE-OE2 2.62Å; R97-E102 PolarHBondContact NE-OE2 3.08Å; R97-E102 VanDerWaalsContact NH2-CD 3.31Å; R97-E102 IonicContact NH2-OE2 2.8Å; R97-E102 PolarHBondContact NH2-OE2 3.35Å; D98-E102 WeakPolarHBondContact O-CG 3.46Å; D98-E102 PolarHBondContact O-N 3.46Å; D98-E102 VanDerWaalsContact O-N 3.08Å; P99-E102 PolarHBondContact O-N 3.17Å; H100-E102 VanDerWaalsContact C-N 3.28Å; H100-E102 PolarHBondContact O-N 3.06Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.02Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 IonicContact OE1-NZ 3.98Å; E102-K105 PolarHBondContact OE1-NZ 2.78Å; E102-A106 PolarHBondContact O-N 3.16Å
103I94.9Very high93.5Very high17 Ų1766.1 Ų66.19%0.08732%0.323CS..Hα-helixtrans-62.1-42.9172.8-68.5165000110.5P99 H100 K105 A106 F107 F159 I160 M163 T164P99-I103 VanDerWaalsContact O-CG1 3.25Å; P99-I103 WeakPolarHBondContact O-CG1 3.35Å; P99-I103 PolarHBondContact O-N 3.31Å; H100-I103 PolarHBondContact O-N 2.83Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-K105 PolarHBondContact O-N 3.4Å; I103-A106 WeakPolarHBondContact O-CB 3.4Å; I103-A106 PolarHBondContact O-N 2.92Å; I103-F107 PolarHBondContact O-N 2.82Å; I103-F159 HydrophobicContact CG2-CD1 3.83Å; I103-F159 HydrophobicContact CG2-CE1 3.98Å; I103-I160 HydrophobicContact CG2-CB 4.39Å; I103-I160 HydrophobicContact CG2-CG1 3.73Å; I103-M163 HydrophobicContact CD1-CB 3.7Å; I103-M163 HydrophobicContact CG1-CB 3.73Å; I103-M163 HydrophobicContact CG1-CG 4.33Å; I103-M163 HydrophobicContact CG2-CB 4.03Å; I103-M163 HydrophobicContact CG2-CG 4.09Å; I103-T164 HydrophobicContact CD1-CG2 3.82Å
104L95.7Very high93.6Very high43 Ų4369.5 Ų69.523%0.22535%0.346CS..Hα-helixtrans-64.6-36.7177-68.2-175.5000113H100 E101 E102 K108 Q156 I160H100-L104 WeakPolarHBondContact O-CG 3.44Å; H100-L104 PolarHBondContact O-N 2.96Å; E101-L104 PolarHBondContact O-N 3.02Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.02Å; L104-K108 WeakPolarHBondContact O-CG 3.14Å; L104-K108 PolarHBondContact O-N 3.16Å; L104-Q156 HydrophobicContact CD2-CG 3.61Å; L104-I160 HydrophobicContact CD2-CD1 4.07Å
105K93.5Very high93.8Very high93 Ų9371.6 Ų71.640%0.40436%0.363SS..Hα-helixtrans-64.1-45.6172.8-73.5168.8-171.7160.10110.7E101 E102 I103 K108 L109E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 2.86Å; E101-K105 WeakPolarHBondContact OE1-CE 3.43Å; E101-K105 IonicContact OE1-NZ 3.16Å; E101-K105 PolarHBondContact OE1-NZ 2.71Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 IonicContact OE1-NZ 3.98Å; E102-K105 PolarHBondContact OE1-NZ 2.78Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-K105 PolarHBondContact O-N 3.4Å; K105-K108 PolarHBondContact O-N 3.26Å; K105-L109 PolarHBondContact O-N 3.41Å
106A94.6Very high94.2Very high28 Ų2872 Ų7223%0.23137%0.374CS..Hα-helixtrans-59.5-47176.500000111.1E102 I103 K108 L109 F110 F159E102-A106 PolarHBondContact O-N 3.16Å; I103-A106 WeakPolarHBondContact O-CB 3.4Å; I103-A106 PolarHBondContact O-N 2.92Å; A106-K108 VanDerWaalsContact C-N 3.28Å; A106-K108 PolarHBondContact O-N 3.31Å; A106-L109 WeakPolarHBondContact O-CA 3.32Å; A106-L109 WeakPolarHBondContact O-CB 3.36Å; A106-L109 PolarHBondContact O-N 2.91Å; A106-F110 WeakPolarHBondContact O-CD2 3.43Å; A106-F110 PolarHBondContact O-N 2.72Å; A106-F159 HydrophobicContact CB-CE1 4.22Å; A106-F159 HydrophobicContact CB-CZ 4.38Å
107F97.3Very high94.5Very high6 Ų668.1 Ų68.13%0.02636%0.355CS..Hα-helixtrans-51.5-46.7176.6-178-94.3000112.2I103 L109 F110 D111 G116 I118 Q156 F159I103-F107 PolarHBondContact O-N 2.82Å; F107-L109 VanDerWaalsContact C-N 3.26Å; F107-L109 PolarHBondContact O-N 2.75Å; F107-F110 WeakPolarHBondContact O-CA 3.4Å; F107-F110 WeakPolarHBondContact O-CB 3.29Å; F107-F110 PolarHBondContact O-N 3.31Å; F107-D111 HydrophobicContact CD1-CB 4.38Å; F107-D111 HydrophobicContact CE1-CB 3.96Å; F107-D111 HydrophobicContact CZ-CB 4.39Å; F107-D111 PolarHBondContact O-N 2.85Å; F107-G116 WeakPolarHBondContact CZ-O 3.47Å; F107-I118 HydrophobicContact CD2-CD1 3.69Å; F107-I118 HydrophobicContact CD2-CG1 4.03Å; F107-I118 HydrophobicContact CE2-CD1 3.75Å; F107-I118 HydrophobicContact CE2-CG1 3.65Å; F107-I118 HydrophobicContact CZ-CG1 4.24Å; F107-Q156 HydrophobicContact CD1-CG 4.26Å; F107-Q156 HydrophobicContact CE1-CB 4.24Å; F107-Q156 HydrophobicContact CE1-CG 4.42Å; F107-Q156 HydrophobicContact CE2-CB 4.22Å; F107-Q156 HydrophobicContact CG-CG 4.31Å; F107-Q156 HydrophobicContact CZ-CB 4.06Å; F107-F159 HydrophobicContact CB-CD1 3.81Å; F107-F159 HydrophobicContact CB-CE1 3.97Å; F107-F159 HydrophobicContact CD2-CB 3.6Å; F107-F159 AromaticContact CD2-CD1 3.77Å; F107-F159 HydrophobicContact CD2-CD1 3.77Å; F107-F159 HydrophobicContact CD2-CD2 4.32Å; F107-F159 AromaticContact CD2-CG 3.64Å; F107-F159 HydrophobicContact CD2-CG 3.64Å; F107-F159 HydrophobicContact CE2-CB 4Å; F107-F159 HydrophobicContact CE2-CG 4.42Å; F107-F159 HydrophobicContact CG-CD1 4.29Å
108K96.3Very high94.9Very high138 Ų13864.6 Ų64.660%0.634%0.342SS*.Hα-helixtrans-65.6-23.7177.2-70.4-177.9177.7-172.20114.5L104 K105 A106 F110L104-K108 WeakPolarHBondContact O-CG 3.14Å; L104-K108 PolarHBondContact O-N 3.16Å; K105-K108 PolarHBondContact O-N 3.26Å; A106-K108 VanDerWaalsContact C-N 3.28Å; A106-K108 PolarHBondContact O-N 3.31Å; K108-F110 VanDerWaalsContact C-N 3.3Å
109L95.1Very high95.3Very high129 Ų12961.1 Ų61.168%0.67532%0.324SS*.Hα-helixtrans-73.5-26.6172.5-64.9174.4000111.7K105 A106 F107 R125K105-L109 PolarHBondContact O-N 3.41Å; A106-L109 WeakPolarHBondContact O-CA 3.32Å; A106-L109 WeakPolarHBondContact O-CB 3.36Å; A106-L109 PolarHBondContact O-N 2.91Å; F107-L109 VanDerWaalsContact C-N 3.26Å; F107-L109 PolarHBondContact O-N 2.75Å; L109-R125 PolarHBondContact O-NH2 3.49Å
110F97.2Very high95.8Very high49 Ų4959.6 Ų59.622%0.21531%0.312CS..Hα-helixtrans-79.1-55.1170.7-75.4-99.6000111A106 F107 K108 D112 I118 N122 L123 R125 V126 F159A106-F110 WeakPolarHBondContact O-CD2 3.43Å; A106-F110 PolarHBondContact O-N 2.72Å; F107-F110 WeakPolarHBondContact O-CA 3.4Å; F107-F110 WeakPolarHBondContact O-CB 3.29Å; F107-F110 PolarHBondContact O-N 3.31Å; K108-F110 VanDerWaalsContact C-N 3.3Å; F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 PolarHBondContact O-N 3.18Å; F110-D112 VanDerWaalsContact O-OD1 3.12Å; F110-I118 HydrophobicContact CB-CD1 3.56Å; F110-I118 HydrophobicContact CB-CG1 3.69Å; F110-I118 HydrophobicContact CB-CG2 4.13Å; F110-I118 HydrophobicContact CD1-CD1 4.34Å; F110-I118 HydrophobicContact CD1-CG2 4.19Å; F110-I118 HydrophobicContact CG-CD1 3.93Å; F110-N122 WeakPolarHBondContact O-CB 3.36Å; F110-N122 PolarHBondContact O-ND2 3.26Å; F110-L123 HydrophobicContact CD1-CD1 4.25Å; F110-L123 HydrophobicContact CE1-CD1 3.89Å; F110-R125 PolarHBondContact O-NH2 2.97Å; F110-V126 HydrophobicContact CD1-CB 4.05Å; F110-V126 HydrophobicContact CD1-CG1 4.2Å; F110-V126 HydrophobicContact CD1-CG2 3.66Å; F110-V126 HydrophobicContact CE1-CB 3.86Å; F110-V126 HydrophobicContact CE1-CG1 3.6Å; F110-V126 HydrophobicContact CE1-CG2 3.96Å; F110-V126 HydrophobicContact CG-CG2 4.12Å; F110-V126 HydrophobicContact CZ-CG1 3.85Å; F110-F159 HydrophobicContact CD2-CE2 4.31Å; F110-F159 HydrophobicContact CD2-CZ 4.19Å; F110-F159 HydrophobicContact CE2-CE2 4.3Å; F110-F159 HydrophobicContact CE2-CZ 4.15Å
111D97.8Very high96.1Very high7 Ų760.8 Ų60.84%0.03731%0.313CS..  trans-76.268.4-179-178.728.5000112.5F107 D113 D114 S115 G116 K117F107-D111 HydrophobicContact CD1-CB 4.38Å; F107-D111 HydrophobicContact CE1-CB 3.96Å; F107-D111 HydrophobicContact CZ-CB 4.39Å; F107-D111 PolarHBondContact O-N 2.85Å; D111-D113 VanDerWaalsContact C-N 3.27Å; D111-D113 PolarHBondContact O-N 2.82Å; D111-D114 PolarHBondContact O-N 3.39Å; D111-D114 PolarHBondContact OD1-N 3.43Å; D111-S115 PolarHBondContact OD1-N 3.14Å; D111-S115 PolarHBondContact OD1-OG 3.03Å; D111-S115 PolarHBondContact OD2-N 3.37Å; D111-G116 VanDerWaalsContact OD2-CA 3.24Å; D111-G116 WeakPolarHBondContact OD2-CA 3.29Å; D111-G116 PolarHBondContact OD2-N 2.97Å; D111-K117 PolarHBondContact OD2-N 3.43Å
112D95.4Very high96.3Very high85 Ų8556.2 Ų56.246%0.45529%0.291SS..THydrogen-bonded Turntrans-73.8-10.4-175.860.8-57.7000115.2F110 N122 R125F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 PolarHBondContact O-N 3.18Å; F110-D112 VanDerWaalsContact O-OD1 3.12Å; D112-N122 PolarHBondContact OD1-ND2 3.01Å; D112-R125 IonicContact OD1-CZ 3.11Å; D112-R125 IonicContact OD1-NE 2.54Å; D112-R125 PolarHBondContact OD1-NE 3.48Å; D112-R125 VanDerWaalsContact OD1-NE 3.11Å; D112-R125 IonicContact OD1-NH2 3.96Å; D112-R125 PolarHBondContact OD1-NH2 2.98Å; D112-R125 VanDerWaalsContact OD1-NH2 3.16Å; D112-R125 IonicContact OD2-CZ 3.05Å; D112-R125 IonicContact OD2-NE 2.88Å; D112-R125 PolarHBondContact OD2-NE 2.9Å; D112-R125 IonicContact OD2-NH2 3.97Å
113D96.2Very high96.5Very high71 Ų7154.9 Ų54.938%0.3829%0.286SS..THydrogen-bonded Turntrans-103.111174.562.7-38.7000114D111 S115 R121 N122D111-D113 VanDerWaalsContact C-N 3.27Å; D111-D113 PolarHBondContact O-N 2.82Å; D113-S115 PolarHBondContact O-N 3.16Å; D113-R121 IonicContact OD1-CZ 3.25Å; D113-R121 IonicContact OD1-NH2 2.7Å; D113-R121 PolarHBondContact OD1-NH2 3.43Å; D113-R121 IonicContact OD2-CZ 3.83Å; D113-R121 VanDerWaalsContact OD2-CZ 3.25Å; D113-R121 IonicContact OD2-NH1 2.81Å; D113-R121 PolarHBondContact OD2-NH1 3.15Å; D113-R121 IonicContact OD2-NH2 3.96Å; D113-R121 PolarHBondContact OD2-NH2 2.89Å; D113-N122 PolarHBondContact OD1-ND2 3.12Å; D113-N122 VanDerWaalsContact OD1-ND2 3.08Å
114D96Very high96.5Very high141 Ų14157.9 Ų57.975%0.75430%0.296SS*.  trans52.336178.9-67.8-58.3000112.5D111 G116D111-D114 PolarHBondContact O-N 3.39Å; D111-D114 PolarHBondContact OD1-N 3.43Å; D114-G116 PolarHBondContact O-N 2.93Å
115S96.9Very high96.6Very high61 Ų6158.6 Ų58.643%0.42730%0.296SS..  trans-74.3-19.3-18070.60000112.4D111 D113 K117D111-S115 PolarHBondContact OD1-N 3.14Å; D111-S115 PolarHBondContact OD1-OG 3.03Å; D111-S115 PolarHBondContact OD2-N 3.37Å; D113-S115 PolarHBondContact O-N 3.16Å; S115-K117 VanDerWaalsContact C-N 3.34Å; S115-K117 PolarHBondContact OG-N 2.7Å; S115-K117 VanDerWaalsContact OG-N 3.16Å; S115-K117 PolarHBondContact OG-O 3.03Å
116G97.2Very high96.7Very high39 Ų3955 Ų5540%0.40228%0.281SS..SBendtrans84.47.1-170.600000113.3F107 D111 D114F107-G116 WeakPolarHBondContact CZ-O 3.47Å; D111-G116 VanDerWaalsContact OD2-CA 3.24Å; D111-G116 WeakPolarHBondContact OD2-CA 3.29Å; D111-G116 PolarHBondContact OD2-N 2.97Å; D114-G116 PolarHBondContact O-N 2.93Å
117K98.2Very high96.7Very high64 Ų6454.1 Ų54.128%0.27827%0.274SS..EExtended strand (participates in β ladder)trans-146.8155.7-174.3-60.4-176.8-179.3-177.90112D111 S115 D151 E153 I154 N155D111-K117 PolarHBondContact OD2-N 3.43Å; S115-K117 VanDerWaalsContact C-N 3.34Å; S115-K117 PolarHBondContact OG-N 2.7Å; S115-K117 VanDerWaalsContact OG-N 3.16Å; S115-K117 PolarHBondContact OG-O 3.03Å; K117-D151 IonicContact NZ-OD2 3.88Å; K117-D151 PolarHBondContact NZ-OD2 2.98Å; K117-E153 HydrophobicContact CB-CB 4.01Å; K117-E153 HydrophobicContact CD-CB 4.13Å; K117-E153 VanDerWaalsContact CD-OE2 3.23Å; K117-E153 WeakPolarHBondContact CD-OE2 3.29Å; K117-I154 CarbonylContact C-O 3.54Å; K117-I154 WeakPolarHBondContact CA-O 3.42Å; K117-N155 HydrophobicContact CG-CB 4.32Å
118I98.1Very high96.6Very high2 Ų262.3 Ų62.31%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-100.1101.5173.6-56.1171.7000107.8F107 F110 N122 L123 I154 F159F107-I118 HydrophobicContact CD2-CD1 3.69Å; F107-I118 HydrophobicContact CD2-CG1 4.03Å; F107-I118 HydrophobicContact CE2-CD1 3.75Å; F107-I118 HydrophobicContact CE2-CG1 3.65Å; F107-I118 HydrophobicContact CZ-CG1 4.24Å; F110-I118 HydrophobicContact CB-CD1 3.56Å; F110-I118 HydrophobicContact CB-CG1 3.69Å; F110-I118 HydrophobicContact CB-CG2 4.13Å; F110-I118 HydrophobicContact CD1-CD1 4.34Å; F110-I118 HydrophobicContact CD1-CG2 4.19Å; F110-I118 HydrophobicContact CG-CD1 3.93Å; I118-N122 HydrophobicContact CG2-CB 4.07Å; I118-L123 HydrophobicContact CG2-CB 4.29Å; I118-I154 HydrophobicContact CB-CB 4.21Å; I118-I154 PolarHBondContact N-O 3.46Å; I118-I154 PolarHBondContact O-N 3.37Å; I118-F159 HydrophobicContact CD1-CD2 3.44Å; I118-F159 VanDerWaalsContact CD1-CD2 3.44Å; I118-F159 HydrophobicContact CD1-CE2 3.75Å; I118-F159 HydrophobicContact CD1-CG 4.09Å
119S97.7Very high96.5Very high12 Ų1261.8 Ų61.88%0.08431%0.305CS..  trans-79.2167174.476.40000112.1R121 N122 L123 E153S119-R121 PolarHBondContact O-N 3.26Å; S119-R121 VanDerWaalsContact O-N 3.12Å; S119-R121 WeakPolarHBondContact OG-CB 3.34Å; S119-R121 PolarHBondContact OG-N 2.92Å; S119-N122 VanDerWaalsContact CB-OD1 3.32Å; S119-N122 WeakPolarHBondContact CB-OD1 3.11Å; S119-N122 PolarHBondContact N-OD1 2.99Å; S119-N122 WeakPolarHBondContact O-CB 2.75Å; S119-N122 PolarHBondContact O-N 2.88Å; S119-N122 PolarHBondContact OG-N 3.33Å; S119-N122 PolarHBondContact OG-OD1 3Å; S119-L123 PolarHBondContact O-N 2.69Å; S119-E153 WeakPolarHBondContact CB-OE1 3.47Å
120L97.2Very high96.4Very high36 Ų3661.8 Ų61.819%0.18831%0.305CS..Hα-helixtrans-51.8-34.4169.1-179.363.6000112.6R124 L139 R140 I143L120-R124 VanDerWaalsContact O-CB 3.22Å; L120-R124 WeakPolarHBondContact O-CB 3.2Å; L120-R124 PolarHBondContact O-N 3.41Å; L120-L139 HydrophobicContact CD1-CB 3.44Å; L120-L139 VanDerWaalsContact CD1-CB 3.44Å; L120-L139 HydrophobicContact CD1-CD1 4.34Å; L120-R140 HydrophobicContact CD1-CG 4.11Å; L120-R140 HydrophobicContact CD2-CG 3.96Å; L120-I143 HydrophobicContact CB-CD1 3.95Å; L120-I143 HydrophobicContact CD1-CD1 4.31Å
121R97.1Very high96.3Very high115 Ų11561.9 Ų61.943%0.43432%0.319SS..Hα-helixtrans-67.9-45178.3-173.1-157.371.1-136.7-12.9110.9D113 S119 R125D113-R121 IonicContact OD1-CZ 3.25Å; D113-R121 IonicContact OD1-NH2 2.7Å; D113-R121 PolarHBondContact OD1-NH2 3.43Å; D113-R121 IonicContact OD2-CZ 3.83Å; D113-R121 VanDerWaalsContact OD2-CZ 3.25Å; D113-R121 IonicContact OD2-NH1 2.81Å; D113-R121 PolarHBondContact OD2-NH1 3.15Å; D113-R121 IonicContact OD2-NH2 3.96Å; D113-R121 PolarHBondContact OD2-NH2 2.89Å; S119-R121 PolarHBondContact O-N 3.26Å; S119-R121 VanDerWaalsContact O-N 3.12Å; S119-R121 WeakPolarHBondContact OG-CB 3.34Å; S119-R121 PolarHBondContact OG-N 2.92Å; R121-R125 PolarHBondContact O-N 2.89Å; R121-R125 VanDerWaalsContact O-N 3.12Å
122N97.6Very high96.1Very high0 Ų067.2 Ų67.20%034%0.344CS..Hα-helixtrans-62.7-50.3177.9-58.2104.9000110.2F110 D112 D113 I118 S119 R124 R125 V126F110-N122 WeakPolarHBondContact O-CB 3.36Å; F110-N122 PolarHBondContact O-ND2 3.26Å; D112-N122 PolarHBondContact OD1-ND2 3.01Å; D113-N122 PolarHBondContact OD1-ND2 3.12Å; D113-N122 VanDerWaalsContact OD1-ND2 3.08Å; I118-N122 HydrophobicContact CG2-CB 4.07Å; S119-N122 VanDerWaalsContact CB-OD1 3.32Å; S119-N122 WeakPolarHBondContact CB-OD1 3.11Å; S119-N122 PolarHBondContact N-OD1 2.99Å; S119-N122 WeakPolarHBondContact O-CB 2.75Å; S119-N122 PolarHBondContact O-N 2.88Å; S119-N122 PolarHBondContact OG-N 3.33Å; S119-N122 PolarHBondContact OG-OD1 3Å; N122-R124 VanDerWaalsContact C-N 3.34Å; N122-R124 PolarHBondContact O-N 3.24Å; N122-R125 WeakPolarHBondContact O-CB 3.5Å; N122-R125 PolarHBondContact O-N 3.33Å; N122-R125 VanDerWaalsContact O-N 3.09Å; N122-V126 PolarHBondContact O-N 3.09Å; N122-V126 VanDerWaalsContact O-N 3.09Å
123L96.5Very high95.8Very high17 Ų1771 Ų719%0.08936%0.364CS..Hα-helixtrans-61.1-42.2-178.8-171.762000112.1F110 I118 S119 R125 V126 A127 L139 M142 I143F110-L123 HydrophobicContact CD1-CD1 4.25Å; F110-L123 HydrophobicContact CE1-CD1 3.89Å; I118-L123 HydrophobicContact CG2-CB 4.29Å; S119-L123 PolarHBondContact O-N 2.69Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.92Å; L123-V126 PolarHBondContact O-N 2.8Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.11Å; L123-L139 HydrophobicContact CD2-CB 4.41Å; L123-L139 HydrophobicContact CD2-CD2 4.04Å; L123-L139 HydrophobicContact CG-CD2 4.03Å; L123-M142 HydrophobicContact CD2-CB 4.15Å; L123-M142 HydrophobicContact CD2-CE 4.43Å; L123-M142 HydrophobicContact CD2-SD 4.29Å; L123-I143 HydrophobicContact CD2-CD1 4.41Å; L123-I143 HydrophobicContact CD2-CG1 4.09Å
124R95.9Very high95.7Very high80 Ų8071 Ų7130%0.30236%0.363SS..Hα-helixtrans-62.8-36.3175.3-176.7170.557.6-149-5.6113.2L120 N122 R128 D136 L139L120-R124 VanDerWaalsContact O-CB 3.22Å; L120-R124 WeakPolarHBondContact O-CB 3.2Å; L120-R124 PolarHBondContact O-N 3.41Å; N122-R124 VanDerWaalsContact C-N 3.34Å; N122-R124 PolarHBondContact O-N 3.24Å; R124-R128 WeakPolarHBondContact O-CB 3.33Å; R124-R128 PolarHBondContact O-N 2.74Å; R124-R128 VanDerWaalsContact O-N 3.12Å; R124-D136 IonicContact NH1-OD1 2.97Å; R124-D136 PolarHBondContact NH1-OD1 3.28Å; R124-D136 IonicContact NH1-OD2 3.34Å; R124-D136 PolarHBondContact NH1-OD2 3.11Å; R124-L139 HydrophobicContact CB-CD1 3.67Å; R124-L139 HydrophobicContact CG-CD1 3.98Å
125R96Very high95.7Very high58 Ų5866.4 Ų66.422%0.21934%0.342CS..Hα-helixtrans-62.2-51.9175.4177.2-174.761.973.91.4109.5L109 F110 D112 R121 N122 L123 A127 R128 E129L109-R125 PolarHBondContact O-NH2 3.49Å; F110-R125 PolarHBondContact O-NH2 2.97Å; D112-R125 IonicContact OD1-CZ 3.11Å; D112-R125 IonicContact OD1-NE 2.54Å; D112-R125 PolarHBondContact OD1-NE 3.48Å; D112-R125 VanDerWaalsContact OD1-NE 3.11Å; D112-R125 IonicContact OD1-NH2 3.96Å; D112-R125 PolarHBondContact OD1-NH2 2.98Å; D112-R125 VanDerWaalsContact OD1-NH2 3.16Å; D112-R125 IonicContact OD2-CZ 3.05Å; D112-R125 IonicContact OD2-NE 2.88Å; D112-R125 PolarHBondContact OD2-NE 2.9Å; D112-R125 IonicContact OD2-NH2 3.97Å; R121-R125 PolarHBondContact O-N 2.89Å; R121-R125 VanDerWaalsContact O-N 3.12Å; N122-R125 WeakPolarHBondContact O-CB 3.5Å; N122-R125 PolarHBondContact O-N 3.33Å; N122-R125 VanDerWaalsContact O-N 3.09Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.92Å; R125-A127 PolarHBondContact O-N 3.09Å; R125-R128 PolarHBondContact O-N 3.38Å; R125-E129 WeakPolarHBondContact CD-OE1 3.49Å; R125-E129 VanDerWaalsContact CG-OE1 3.25Å; R125-E129 WeakPolarHBondContact CG-OE1 3.49Å; R125-E129 IonicContact CZ-OE1 3.24Å; R125-E129 VanDerWaalsContact NH1-CD 3.26Å; R125-E129 IonicContact NH1-OE1 2.74Å; R125-E129 PolarHBondContact NH1-OE1 3.21Å; R125-E129 IonicContact NH1-OE2 2.7Å; R125-E129 PolarHBondContact NH1-OE2 2.99Å; R125-E129 WeakPolarHBondContact O-CG 3.44Å; R125-E129 PolarHBondContact O-N 2.9Å
126V95.7Very high95.6Very high16 Ų1666 Ų6610%0.09734%0.335CS..Hα-helixtrans-61.5-45.9-179.3177.50000111.3F110 N122 L123 R128 E129 L130F110-V126 HydrophobicContact CD1-CB 4.05Å; F110-V126 HydrophobicContact CD1-CG1 4.2Å; F110-V126 HydrophobicContact CD1-CG2 3.66Å; F110-V126 HydrophobicContact CE1-CB 3.86Å; F110-V126 HydrophobicContact CE1-CG1 3.6Å; F110-V126 HydrophobicContact CE1-CG2 3.96Å; F110-V126 HydrophobicContact CG-CG2 4.12Å; F110-V126 HydrophobicContact CZ-CG1 3.85Å; N122-V126 PolarHBondContact O-N 3.09Å; N122-V126 VanDerWaalsContact O-N 3.09Å; L123-V126 PolarHBondContact O-N 2.8Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.16Å; V126-E129 PolarHBondContact O-N 3.09Å; V126-E129 VanDerWaalsContact O-N 3.1Å; V126-L130 HydrophobicContact CG1-CD1 3.94Å; V126-L130 HydrophobicContact CG1-CG 4.33Å; V126-L130 WeakPolarHBondContact O-CG 3.16Å; V126-L130 PolarHBondContact O-N 2.62Å
127A95.5Very high95.6Very high11 Ų1170.3 Ų70.39%0.09135%0.345CS..Hα-helixtrans-55.4-44.1175.900000112L123 R125 L130 G131 E132 L139L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.11Å; R125-A127 PolarHBondContact O-N 3.09Å; A127-L130 PolarHBondContact O-N 3.12Å; A127-G131 PolarHBondContact O-N 3.44Å; A127-G131 VanDerWaalsContact O-N 3.12Å; A127-E132 HydrophobicContact CB-CB 4.39Å; A127-E132 PolarHBondContact O-N 3.32Å; A127-L139 HydrophobicContact CB-CD2 4.38Å
128R95Very high95.5Very high178 Ų17872.1 Ų72.167%0.67235%0.354SS*.Hα-helixtrans-65.6-39.8176.5-175.7-179.1-67.3139.30.3112.9R124 R125 V126 L130 G131R124-R128 WeakPolarHBondContact O-CB 3.33Å; R124-R128 PolarHBondContact O-N 2.74Å; R124-R128 VanDerWaalsContact O-N 3.12Å; R125-R128 PolarHBondContact O-N 3.38Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.16Å; R128-L130 VanDerWaalsContact C-N 3.26Å; R128-L130 PolarHBondContact O-N 2.85Å; R128-G131 PolarHBondContact O-N 3.09Å; R128-G131 VanDerWaalsContact O-N 3.09Å
129E94.3Very high95.4Very high127 Ų12772.1 Ų72.159%0.59335%0.354SS*.Hα-helixtrans-63.9-34.1176.8-74.4172.4-167.900111.8R125 V126 G131R125-E129 WeakPolarHBondContact CD-OE1 3.49Å; R125-E129 VanDerWaalsContact CG-OE1 3.25Å; R125-E129 WeakPolarHBondContact CG-OE1 3.49Å; R125-E129 IonicContact CZ-OE1 3.24Å; R125-E129 VanDerWaalsContact NH1-CD 3.26Å; R125-E129 IonicContact NH1-OE1 2.74Å; R125-E129 PolarHBondContact NH1-OE1 3.21Å; R125-E129 IonicContact NH1-OE2 2.7Å; R125-E129 PolarHBondContact NH1-OE2 2.99Å; R125-E129 WeakPolarHBondContact O-CG 3.44Å; R125-E129 PolarHBondContact O-N 2.9Å; V126-E129 PolarHBondContact O-N 3.09Å; V126-E129 VanDerWaalsContact O-N 3.1Å; E129-G131 VanDerWaalsContact C-N 3.26Å; E129-G131 PolarHBondContact O-N 3.05Å
130L93.2Very high95.4Very high128 Ų12876.4 Ų76.467%0.6737%0.369SS*.THydrogen-bonded Turntrans-79.3-6.9173.9-62.7176.6000113.4V126 A127 R128 E132V126-L130 HydrophobicContact CG1-CD1 3.94Å; V126-L130 HydrophobicContact CG1-CG 4.33Å; V126-L130 WeakPolarHBondContact O-CG 3.16Å; V126-L130 PolarHBondContact O-N 2.62Å; A127-L130 PolarHBondContact O-N 3.12Å; R128-L130 VanDerWaalsContact C-N 3.26Å; R128-L130 PolarHBondContact O-N 2.85Å; L130-E132 VanDerWaalsContact C-N 3.29Å; L130-E132 HydrophobicContact CB-CG 4.3Å
131G94.6Very high95.4Very high51 Ų5177.3 Ų77.353%0.52638%0.381SS..THydrogen-bonded Turntrans77.611.6-177.400000114.4A127 R128 E129A127-G131 PolarHBondContact O-N 3.44Å; A127-G131 VanDerWaalsContact O-N 3.12Å; R128-G131 PolarHBondContact O-N 3.09Å; R128-G131 VanDerWaalsContact O-N 3.09Å; E129-G131 VanDerWaalsContact C-N 3.26Å; E129-G131 PolarHBondContact O-N 3.05Å
132E94Very high95.2Very high120 Ų12075.5 Ų75.556%0.56138%0.379SS*.  trans-81118.7177.8-67.5-60.6156.400110.5A127 L130 M134A127-E132 HydrophobicContact CB-CB 4.39Å; A127-E132 PolarHBondContact O-N 3.32Å; L130-E132 VanDerWaalsContact C-N 3.29Å; L130-E132 HydrophobicContact CB-CG 4.3Å; E132-M134 HydrophobicContact CB-CG 4.31Å; E132-M134 PolarHBondContact O-N 3.33Å
133N89.6Confident95.2Very high163 Ų16375.9 Ų75.987%0.87238%0.38SS*.  trans-90.689.1178.9-68.2-58.4000109.8
134M93.2Very high95.2Very high71 Ų7181.7 Ų81.735%0.3541%0.407SS..  trans-108.3140.1178.3-55.9-172.472.400110.9E132 E138 L139 M142E132-M134 HydrophobicContact CB-CG 4.31Å; E132-M134 PolarHBondContact O-N 3.33Å; M134-E138 HydrophobicContact CE-CB 4.04Å; M134-L139 HydrophobicContact CB-CD1 4.47Å; M134-L139 HydrophobicContact CB-CD2 3.77Å; M134-L139 HydrophobicContact CB-CG 3.89Å; M134-L139 HydrophobicContact CE-CD2 4.14Å; M134-L139 HydrophobicContact CG-CD2 4.33Å; M134-L139 HydrophobicContact SD-CD2 3.72Å; M134-M142 HydrophobicContact CE-SD 3.47Å; M134-M142 WeakPolarHBondContact CE-SD 2.8Å; M134-M142 HydrophobicContact SD-SD 4.11Å
135S95.5Very high95.1Very high45 Ų4583.6 Ų83.632%0.31542%0.42SS..  trans-70.5156171.861.40000111.4E137 E138 L139S135-E137 PolarHBondContact O-N 3.5Å; S135-E138 WeakPolarHBondContact CB-OE2 3.47Å; S135-E138 PolarHBondContact N-OE2 3.33Å; S135-E138 PolarHBondContact O-N 3.26Å; S135-E138 VanDerWaalsContact OG-CD 3.26Å; S135-E138 VanDerWaalsContact OG-CG 3.23Å; S135-E138 WeakPolarHBondContact OG-CG 3.41Å; S135-E138 PolarHBondContact OG-N 3.43Å; S135-E138 PolarHBondContact OG-OE2 2.79Å; S135-L139 WeakPolarHBondContact O-CG 3.38Å; S135-L139 PolarHBondContact O-N 3.25Å
136D95.2Very high95Very high54 Ų5483.3 Ų83.329%0.28942%0.42SS..Hα-helixtrans-60.4-30.5174.7-88.810.3000110.7R124 R140R124-D136 IonicContact NH1-OD1 2.97Å; R124-D136 PolarHBondContact NH1-OD1 3.28Å; R124-D136 IonicContact NH1-OD2 3.34Å; R124-D136 PolarHBondContact NH1-OD2 3.11Å; D136-R140 WeakPolarHBondContact O-CB 3.2Å; D136-R140 VanDerWaalsContact O-CG 3.26Å; D136-R140 WeakPolarHBondContact O-CG 3.47Å; D136-R140 PolarHBondContact O-N 3.4Å; D136-R140 IonicContact OD2-NH2 3.46Å
137E97.2Very high95Very high128 Ų12883.6 Ų83.660%0.59842%0.421SS*.Hα-helixtrans-66.4-44.6175-6769.2-148.400112.5S135 R140 A141S135-E137 PolarHBondContact O-N 3.5Å; E137-R140 PolarHBondContact O-N 2.8Å; E137-R140 IonicContact OE1-NH1 3.89Å; E137-A141 WeakPolarHBondContact O-CB 3.29Å; E137-A141 PolarHBondContact O-N 3.34Å
138E96.8Very high94.9Very high103 Ų10389.4 Ų89.448%0.48144%0.444SS..Hα-helixtrans-64.9-42.4176.5-73.6161.7140.700111.5M134 S135 A141 M142M134-E138 HydrophobicContact CE-CB 4.04Å; S135-E138 WeakPolarHBondContact CB-OE2 3.47Å; S135-E138 PolarHBondContact N-OE2 3.33Å; S135-E138 PolarHBondContact O-N 3.26Å; S135-E138 VanDerWaalsContact OG-CD 3.26Å; S135-E138 VanDerWaalsContact OG-CG 3.23Å; S135-E138 WeakPolarHBondContact OG-CG 3.41Å; S135-E138 PolarHBondContact OG-N 3.43Å; S135-E138 PolarHBondContact OG-OE2 2.79Å; E138-A141 PolarHBondContact O-N 3.3Å; E138-M142 WeakPolarHBondContact O-CG 3.37Å; E138-M142 PolarHBondContact O-N 2.94Å
139L96.7Very high95Very high2 Ų285.3 Ų85.31%0.0144%0.436CS..Hα-helixtrans-66.5-37.1178-65.2178.6000112.3L120 L123 R124 A127 M134 S135 M142 I143L120-L139 HydrophobicContact CD1-CB 3.44Å; L120-L139 VanDerWaalsContact CD1-CB 3.44Å; L120-L139 HydrophobicContact CD1-CD1 4.34Å; L123-L139 HydrophobicContact CD2-CB 4.41Å; L123-L139 HydrophobicContact CD2-CD2 4.04Å; L123-L139 HydrophobicContact CG-CD2 4.03Å; R124-L139 HydrophobicContact CB-CD1 3.67Å; R124-L139 HydrophobicContact CG-CD1 3.98Å; A127-L139 HydrophobicContact CB-CD2 4.38Å; M134-L139 HydrophobicContact CB-CD1 4.47Å; M134-L139 HydrophobicContact CB-CD2 3.77Å; M134-L139 HydrophobicContact CB-CG 3.89Å; M134-L139 HydrophobicContact CE-CD2 4.14Å; M134-L139 HydrophobicContact CG-CD2 4.33Å; M134-L139 HydrophobicContact SD-CD2 3.72Å; S135-L139 WeakPolarHBondContact O-CG 3.38Å; S135-L139 PolarHBondContact O-N 3.25Å; L139-M142 HydrophobicContact CD2-SD 4.2Å; L139-M142 PolarHBondContact O-N 2.8Å; L139-I143 PolarHBondContact O-N 3.38Å
140R96.7Very high95Very high102 Ų10282.1 Ų82.139%0.38544%0.437SS..Hα-helixtrans-64.5-43.9172-77.7-178.9-166.2114.78.3111.4L120 D136 E137 M142 I143 E144L120-R140 HydrophobicContact CD1-CG 4.11Å; L120-R140 HydrophobicContact CD2-CG 3.96Å; D136-R140 WeakPolarHBondContact O-CB 3.2Å; D136-R140 VanDerWaalsContact O-CG 3.26Å; D136-R140 WeakPolarHBondContact O-CG 3.47Å; D136-R140 PolarHBondContact O-N 3.4Å; D136-R140 IonicContact OD2-NH2 3.46Å; E137-R140 PolarHBondContact O-N 2.8Å; E137-R140 IonicContact OE1-NH1 3.89Å; R140-M142 PolarHBondContact O-N 2.88Å; R140-I143 PolarHBondContact O-N 2.94Å; R140-E144 WeakPolarHBondContact O-CG 3.21Å; R140-E144 PolarHBondContact O-N 3.05Å
141A96.7Very high95.1Very high54 Ų5479.2 Ų79.245%0.44642%0.422SS..Hα-helixtrans-60.2-36.5177.100000112.1E137 E138 E145E137-A141 WeakPolarHBondContact O-CB 3.29Å; E137-A141 PolarHBondContact O-N 3.34Å; E138-A141 PolarHBondContact O-N 3.3Å; A141-E145 PolarHBondContact O-N 3.01Å; A141-E145 VanDerWaalsContact O-N 3.14Å
142M94.3Very high95.2Very high78 Ų7878.8 Ų78.838%0.38442%0.417SS..Hα-helixtrans-62-42.4172.8-71178.571.300112.4L123 M134 E138 L139 R140 F146L123-M142 HydrophobicContact CD2-CB 4.15Å; L123-M142 HydrophobicContact CD2-CE 4.43Å; L123-M142 HydrophobicContact CD2-SD 4.29Å; M134-M142 HydrophobicContact CE-SD 3.47Å; M134-M142 WeakPolarHBondContact CE-SD 2.8Å; M134-M142 HydrophobicContact SD-SD 4.11Å; E138-M142 WeakPolarHBondContact O-CG 3.37Å; E138-M142 PolarHBondContact O-N 2.94Å; L139-M142 HydrophobicContact CD2-SD 4.2Å; L139-M142 PolarHBondContact O-N 2.8Å; R140-M142 PolarHBondContact O-N 2.88Å; M142-F146 VanDerWaalsContact O-CD2 3.22Å; M142-F146 WeakPolarHBondContact O-CD2 3.44Å
143I96.9Very high95.4Very high7 Ų776 Ų764%0.03640%0.404CS..Hα-helixtrans-66.7-50.4177.5-67.4170.4000110L120 L123 L139 R140 E145 F146 D147 G152 I154L120-I143 HydrophobicContact CB-CD1 3.95Å; L120-I143 HydrophobicContact CD1-CD1 4.31Å; L123-I143 HydrophobicContact CD2-CD1 4.41Å; L123-I143 HydrophobicContact CD2-CG1 4.09Å; L139-I143 PolarHBondContact O-N 3.38Å; R140-I143 PolarHBondContact O-N 2.94Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-E145 VanDerWaalsContact O-N 3.13Å; I143-F146 PolarHBondContact O-N 3.5Å; I143-D147 HydrophobicContact CG2-CB 4.09Å; I143-D147 WeakPolarHBondContact O-CB 3.11Å; I143-D147 PolarHBondContact O-N 3.29Å; I143-G152 WeakPolarHBondContact CG2-O 3.33Å; I143-I154 HydrophobicContact CG1-CD1 4.29Å; I143-I154 HydrophobicContact CG1-CG1 4.38Å; I143-I154 HydrophobicContact CG2-CG1 4.25Å
144E95.9Very high95.8Very high139 Ų13968.7 Ų68.765%0.6537%0.365SS*.Hα-helixtrans-57.8-29.3-178-72.3173.4-168.400113.5R140 F146R140-E144 WeakPolarHBondContact O-CG 3.21Å; R140-E144 PolarHBondContact O-N 3.05Å; E144-F146 VanDerWaalsContact C-N 3.33Å
145E94.4Very high96.1Very high121 Ų12166.7 Ų66.757%0.56536%0.356SS*.Hα-helixtrans-67.8-33.1177.5-173.662-158.900112.6A141 I143 K148A141-E145 PolarHBondContact O-N 3.01Å; A141-E145 VanDerWaalsContact O-N 3.14Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-E145 VanDerWaalsContact O-N 3.13Å; E145-K148 PolarHBondContact O-NZ 2.97Å
146F93.2Very high96.1Very high52 Ų5268.5 Ų68.523%0.22836%0.359CS..Hα-helixtrans-115.2-16.8-170.9-57.4-64.5000114.9M142 I143 E144 K148 I154 I162 I167M142-F146 VanDerWaalsContact O-CD2 3.22Å; M142-F146 WeakPolarHBondContact O-CD2 3.44Å; I143-F146 PolarHBondContact O-N 3.5Å; E144-F146 VanDerWaalsContact C-N 3.33Å; F146-K148 WeakPolarHBondContact O-CG 3.42Å; F146-K148 PolarHBondContact O-N 2.97Å; F146-K148 VanDerWaalsContact O-N 3.07Å; F146-I154 HydrophobicContact CB-CD1 4.46Å; F146-I162 HydrophobicContact CB-CD1 3.47Å; F146-I162 VanDerWaalsContact CB-CD1 3.47Å; F146-I162 HydrophobicContact CB-CG1 3.83Å; F146-I162 HydrophobicContact CD1-CD1 4.05Å; F146-I162 HydrophobicContact CD1-CG1 3.51Å; F146-I162 HydrophobicContact CD2-CD1 3.72Å; F146-I162 HydrophobicContact CD2-CG1 4.04Å; F146-I162 HydrophobicContact CE1-CG1 4.03Å; F146-I162 HydrophobicContact CE2-CD1 4.47Å; F146-I162 HydrophobicContact CG-CD1 3.47Å; F146-I162 VanDerWaalsContact CG-CD1 3.47Å; F146-I162 HydrophobicContact CG-CG1 3.51Å; F146-I167 HydrophobicContact CD1-CD1 4.3Å; F146-I167 HydrophobicContact CE1-CD1 3.71Å
147D96.5Very high96.2Very high21 Ų2173.4 Ų73.411%0.11238%0.38CS..  trans-66.897.3169.7172.813.4000109.5I143 G150 D151 G152I143-D147 HydrophobicContact CG2-CB 4.09Å; I143-D147 WeakPolarHBondContact O-CB 3.11Å; I143-D147 PolarHBondContact O-N 3.29Å; D147-G150 VanDerWaalsContact OD1-CA 3.27Å; D147-G150 WeakPolarHBondContact OD1-CA 3.41Å; D147-G150 PolarHBondContact OD1-N 3.47Å; D147-G150 WeakPolarHBondContact OD2-CA 3.41Å; D147-D151 PolarHBondContact OD1-N 2.97Å; D147-D151 PolarHBondContact OD2-N 3.46Å; D147-G152 VanDerWaalsContact OD2-CA 3.25Å; D147-G152 WeakPolarHBondContact OD2-CA 3.34Å; D147-G152 PolarHBondContact OD2-N 3.33Å
148K94Very high96.2Very high133 Ų13368 Ų6858%0.57836%0.355SS*.SBendtrans-88.5-24.9-175.8-61.6-46.7-176.8-1640112.1E145 F146 E158E145-K148 PolarHBondContact O-NZ 2.97Å; F146-K148 WeakPolarHBondContact O-CG 3.42Å; F146-K148 PolarHBondContact O-N 2.97Å; F146-K148 VanDerWaalsContact O-N 3.07Å; K148-E158 HydrophobicContact CB-CG 4.44Å; K148-E158 HydrophobicContact CG-CG 4.39Å; K148-E158 PolarHBondContact N-OE1 2.94Å
149D95.4Very high96.2Very high93 Ų9363.8 Ų63.850%0.49734%0.335SS..SBendtrans-88.6-13.2177.473.823.5000113.7D151 N155 E158D149-D151 WeakPolarHBondContact OD1-CB 3.32Å; D149-D151 PolarHBondContact OD1-N 3.36Å; D149-D151 VanDerWaalsContact OD1-N 3.15Å; D149-N155 PolarHBondContact OD2-ND2 3.45Å; D149-E158 PolarHBondContact N-OE1 2.89Å
150G94.7Very high96.1Very high60 Ų6065.1 Ų65.162%0.61934%0.342SS*.  trans78.725.6171.600000113.7D147D147-G150 VanDerWaalsContact OD1-CA 3.27Å; D147-G150 WeakPolarHBondContact OD1-CA 3.41Å; D147-G150 PolarHBondContact OD1-N 3.47Å; D147-G150 WeakPolarHBondContact OD2-CA 3.41Å
151D96.6Very high96Very high67 Ų6761.6 Ų61.636%0.35834%0.335SS..SBendtrans-89.1-5.6-178.876.716.7000114.7K117 D147 D149 E153K117-D151 IonicContact NZ-OD2 3.88Å; K117-D151 PolarHBondContact NZ-OD2 2.98Å; D147-D151 PolarHBondContact OD1-N 2.97Å; D147-D151 PolarHBondContact OD2-N 3.46Å; D149-D151 WeakPolarHBondContact OD1-CB 3.32Å; D149-D151 PolarHBondContact OD1-N 3.36Å; D149-D151 VanDerWaalsContact OD1-N 3.15Å; D151-E153 PolarHBondContact OD1-N 3.04Å
152G96.7Very high95.8Very high41 Ų4161.2 Ų61.242%0.42333%0.325SS..SBendtrans87.712.7177.800000114.6I143 D147I143-G152 WeakPolarHBondContact CG2-O 3.33Å; D147-G152 VanDerWaalsContact OD2-CA 3.25Å; D147-G152 WeakPolarHBondContact OD2-CA 3.34Å; D147-G152 PolarHBondContact OD2-N 3.33Å
153E98.2Very high95.7Very high61 Ų6162.4 Ų62.429%0.28533%0.33SS..SBendtrans-137.1165.7178-54.4-173.5135.300110.4K117 S119 D151K117-E153 HydrophobicContact CB-CB 4.01Å; K117-E153 HydrophobicContact CD-CB 4.13Å; K117-E153 VanDerWaalsContact CD-OE2 3.23Å; K117-E153 WeakPolarHBondContact CD-OE2 3.29Å; S119-E153 WeakPolarHBondContact CB-OE1 3.47Å; D151-E153 PolarHBondContact OD1-N 3.04Å
154I98.2Very high95.4Very high10 Ų1065.2 Ų65.25%0.05135%0.348CS..EExtended strand (participates in β ladder)trans-104.3113.5175.9-56.6172.1000108.9K117 I118 I143 F146 E158 F159 I162K117-I154 CarbonylContact C-O 3.54Å; K117-I154 WeakPolarHBondContact CA-O 3.42Å; I118-I154 HydrophobicContact CB-CB 4.21Å; I118-I154 PolarHBondContact N-O 3.46Å; I118-I154 PolarHBondContact O-N 3.37Å; I143-I154 HydrophobicContact CG1-CD1 4.29Å; I143-I154 HydrophobicContact CG1-CG1 4.38Å; I143-I154 HydrophobicContact CG2-CG1 4.25Å; F146-I154 HydrophobicContact CB-CD1 4.46Å; I154-E158 WeakPolarHBondContact CA-OE2 3.4Å; I154-E158 HydrophobicContact CG2-CB 3.75Å; I154-F159 HydrophobicContact CG2-CB 4.02Å; I154-I162 HydrophobicContact CD1-CD1 4.21Å; I154-I162 HydrophobicContact CG2-CD1 4.06Å
155N97.7Very high94.9Very high29 Ų2961.2 Ų61.216%0.15534%0.344CS..EExtended strand (participates in β ladder)trans-78.2172.6175.472.549.2000112K117 D149 E157 E158 F159K117-N155 HydrophobicContact CG-CB 4.32Å; D149-N155 PolarHBondContact OD2-ND2 3.45Å; N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 2.84Å; N155-E157 WeakPolarHBondContact OD1-CB 3.45Å; N155-E157 PolarHBondContact OD1-N 2.72Å; N155-E158 VanDerWaalsContact CG-OE2 3.27Å; N155-E158 PolarHBondContact N-OE2 3.26Å; N155-E158 PolarHBondContact ND2-OE1 3.25Å; N155-E158 PolarHBondContact ND2-OE2 3.28Å; N155-E158 PolarHBondContact O-N 2.82Å; N155-E158 WeakPolarHBondContact OD1-CG 3.49Å; N155-E158 PolarHBondContact OD1-N 2.8Å; N155-F159 WeakPolarHBondContact O-CB 3.26Å; N155-F159 PolarHBondContact O-N 3Å
156Q97.3Very high94.3Very high83 Ų8361.4 Ų61.439%0.38835%0.349SS..Hα-helixtrans-61.9-36.3-176.6-165-170-89.500113.3L104 F107 I160L104-Q156 HydrophobicContact CD2-CG 3.61Å; F107-Q156 HydrophobicContact CD1-CG 4.26Å; F107-Q156 HydrophobicContact CE1-CB 4.24Å; F107-Q156 HydrophobicContact CE1-CG 4.42Å; F107-Q156 HydrophobicContact CE2-CB 4.22Å; F107-Q156 HydrophobicContact CG-CG 4.31Å; F107-Q156 HydrophobicContact CZ-CB 4.06Å; Q156-I160 HydrophobicContact CG-CD1 4.24Å; Q156-I160 WeakPolarHBondContact O-CD1 3.48Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 3Å
157E95.9Very high92.9Very high157 Ų15765.8 Ų65.873%0.73437%0.373SS*.Hα-helixtrans-70-42.8-179.2-64.5-175.5176.200111N155 I160 A161N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 2.84Å; N155-E157 WeakPolarHBondContact OD1-CB 3.45Å; N155-E157 PolarHBondContact OD1-N 2.72Å; E157-I160 PolarHBondContact O-N 3.39Å; E157-A161 PolarHBondContact O-N 3.05Å
158E96.8Very high92.7Very high14 Ų1468 Ų687%0.06539%0.386CS..Hα-helixtrans-62.1-44.7174.7-68.3163.7164.200111.2K148 D149 I154 N155 I160 A161 I162K148-E158 HydrophobicContact CB-CG 4.44Å; K148-E158 HydrophobicContact CG-CG 4.39Å; K148-E158 PolarHBondContact N-OE1 2.94Å; D149-E158 PolarHBondContact N-OE1 2.89Å; I154-E158 WeakPolarHBondContact CA-OE2 3.4Å; I154-E158 HydrophobicContact CG2-CB 3.75Å; N155-E158 VanDerWaalsContact CG-OE2 3.27Å; N155-E158 PolarHBondContact N-OE2 3.26Å; N155-E158 PolarHBondContact ND2-OE1 3.25Å; N155-E158 PolarHBondContact ND2-OE2 3.28Å; N155-E158 PolarHBondContact O-N 2.82Å; N155-E158 WeakPolarHBondContact OD1-CG 3.49Å; N155-E158 PolarHBondContact OD1-N 2.8Å; E158-I160 VanDerWaalsContact C-N 3.31Å; E158-I160 PolarHBondContact O-N 2.73Å; E158-A161 WeakPolarHBondContact O-CB 3.49Å; E158-A161 PolarHBondContact O-N 3.36Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.29Å
159F97Very high92.6Very high15 Ų1564.6 Ų64.67%0.06638%0.376CS..Hα-helixtrans-62.3-38.3176.2-171.2-98.7000112.5I103 A106 F107 F110 I118 I154 N155 I162 M163I103-F159 HydrophobicContact CG2-CD1 3.83Å; I103-F159 HydrophobicContact CG2-CE1 3.98Å; A106-F159 HydrophobicContact CB-CE1 4.22Å; A106-F159 HydrophobicContact CB-CZ 4.38Å; F107-F159 HydrophobicContact CB-CD1 3.81Å; F107-F159 HydrophobicContact CB-CE1 3.97Å; F107-F159 HydrophobicContact CD2-CB 3.6Å; F107-F159 AromaticContact CD2-CD1 3.77Å; F107-F159 HydrophobicContact CD2-CD1 3.77Å; F107-F159 HydrophobicContact CD2-CD2 4.32Å; F107-F159 AromaticContact CD2-CG 3.64Å; F107-F159 HydrophobicContact CD2-CG 3.64Å; F107-F159 HydrophobicContact CE2-CB 4Å; F107-F159 HydrophobicContact CE2-CG 4.42Å; F107-F159 HydrophobicContact CG-CD1 4.29Å; F110-F159 HydrophobicContact CD2-CE2 4.31Å; F110-F159 HydrophobicContact CD2-CZ 4.19Å; F110-F159 HydrophobicContact CE2-CE2 4.3Å; F110-F159 HydrophobicContact CE2-CZ 4.15Å; I118-F159 HydrophobicContact CD1-CD2 3.44Å; I118-F159 VanDerWaalsContact CD1-CD2 3.44Å; I118-F159 HydrophobicContact CD1-CE2 3.75Å; I118-F159 HydrophobicContact CD1-CG 4.09Å; I154-F159 HydrophobicContact CG2-CB 4.02Å; N155-F159 WeakPolarHBondContact O-CB 3.26Å; N155-F159 PolarHBondContact O-N 3Å; F159-I162 WeakPolarHBondContact O-CB 3.36Å; F159-I162 PolarHBondContact O-N 3.47Å; F159-M163 HydrophobicContact CD1-CG 4.07Å; F159-M163 HydrophobicContact CE1-CG 3.74Å; F159-M163 HydrophobicContact CE1-SD 4.49Å; F159-M163 HydrophobicContact CZ-CG 3.99Å; F159-M163 HydrophobicContact CZ-SD 4.18Å; F159-M163 VanDerWaalsContact O-CG 3.29Å; F159-M163 WeakPolarHBondContact O-CG 3.39Å; F159-M163 PolarHBondContact O-N 2.88Å; F159-M163 VanDerWaalsContact O-N 3.09Å
160I95.7Very high92.5Very high30 Ų3063 Ų6315%0.15437%0.369CS..Hα-helixtrans-61.9-46.8174.2-69.8161.3000110.4I103 L104 Q156 E157 E158 I162 M163 T164I103-I160 HydrophobicContact CG2-CB 4.39Å; I103-I160 HydrophobicContact CG2-CG1 3.73Å; L104-I160 HydrophobicContact CD2-CD1 4.07Å; Q156-I160 HydrophobicContact CG-CD1 4.24Å; Q156-I160 WeakPolarHBondContact O-CD1 3.48Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 3Å; E157-I160 PolarHBondContact O-N 3.39Å; E158-I160 VanDerWaalsContact C-N 3.31Å; E158-I160 PolarHBondContact O-N 2.73Å; I160-I162 VanDerWaalsContact C-N 3.31Å; I160-I162 PolarHBondContact O-N 3.27Å; I160-M163 PolarHBondContact O-N 3.39Å; I160-M163 VanDerWaalsContact O-N 3.1Å; I160-T164 HydrophobicContact CG2-CG2 4.13Å; I160-T164 WeakPolarHBondContact O-CG2 3.26Å; I160-T164 PolarHBondContact O-N 2.96Å; I160-T164 PolarHBondContact O-OG1 2.76Å; I160-T164 VanDerWaalsContact O-OG1 3.1Å
161A93.8Very high92.3Very high28 Ų2863.2 Ų63.223%0.23136%0.355CS..Hα-helixtrans-59-40.7178.200000112.5E157 E158 M163 G165 D166E157-A161 PolarHBondContact O-N 3.05Å; E158-A161 WeakPolarHBondContact O-CB 3.49Å; E158-A161 PolarHBondContact O-N 3.36Å; A161-M163 VanDerWaalsContact C-N 3.35Å; A161-M163 PolarHBondContact O-N 3.16Å; A161-G165 WeakPolarHBondContact O-CA 3.2Å; A161-G165 PolarHBondContact O-N 3.44Å; A161-D166 PolarHBondContact O-N 3.24Å; A161-D166 VanDerWaalsContact O-N 3.09Å
162I92.9Very high92.1Very high46 Ų4662.9 Ų62.924%0.23635%0.354CS..Hα-helixtrans-57.2-49.2173.2-65165.6000110.7F146 I154 E158 F159 I160 G165F146-I162 HydrophobicContact CB-CD1 3.47Å; F146-I162 VanDerWaalsContact CB-CD1 3.47Å; F146-I162 HydrophobicContact CB-CG1 3.83Å; F146-I162 HydrophobicContact CD1-CD1 4.05Å; F146-I162 HydrophobicContact CD1-CG1 3.51Å; F146-I162 HydrophobicContact CD2-CD1 3.72Å; F146-I162 HydrophobicContact CD2-CG1 4.04Å; F146-I162 HydrophobicContact CE1-CG1 4.03Å; F146-I162 HydrophobicContact CE2-CD1 4.47Å; F146-I162 HydrophobicContact CG-CD1 3.47Å; F146-I162 VanDerWaalsContact CG-CD1 3.47Å; F146-I162 HydrophobicContact CG-CG1 3.51Å; I154-I162 HydrophobicContact CD1-CD1 4.21Å; I154-I162 HydrophobicContact CG2-CD1 4.06Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.29Å; F159-I162 WeakPolarHBondContact O-CB 3.36Å; F159-I162 PolarHBondContact O-N 3.47Å; I160-I162 VanDerWaalsContact C-N 3.31Å; I160-I162 PolarHBondContact O-N 3.27Å; I162-G165 PolarHBondContact O-N 3.45Å
163M92.9Very high91.8Very high103 Ų10364.4 Ų64.451%0.50735%0.35SS..Hα-helixtrans-77.5-24.1-172.5-64.9-57.9-64.700113.6I103 F159 I160 A161I103-M163 HydrophobicContact CD1-CB 3.7Å; I103-M163 HydrophobicContact CG1-CB 3.73Å; I103-M163 HydrophobicContact CG1-CG 4.33Å; I103-M163 HydrophobicContact CG2-CB 4.03Å; I103-M163 HydrophobicContact CG2-CG 4.09Å; F159-M163 HydrophobicContact CD1-CG 4.07Å; F159-M163 HydrophobicContact CE1-CG 3.74Å; F159-M163 HydrophobicContact CE1-SD 4.49Å; F159-M163 HydrophobicContact CZ-CG 3.99Å; F159-M163 HydrophobicContact CZ-SD 4.18Å; F159-M163 VanDerWaalsContact O-CG 3.29Å; F159-M163 WeakPolarHBondContact O-CG 3.39Å; F159-M163 PolarHBondContact O-N 2.88Å; F159-M163 VanDerWaalsContact O-N 3.09Å; I160-M163 PolarHBondContact O-N 3.39Å; I160-M163 VanDerWaalsContact O-N 3.1Å; A161-M163 VanDerWaalsContact C-N 3.35Å; A161-M163 PolarHBondContact O-N 3.16Å
164T90Very high91.3Very high67 Ų6764.6 Ų64.641%0.41135%0.354SS..Hα-helixtrans-92.4-14.6174.861.60000113.2I103 I160 D166I103-T164 HydrophobicContact CD1-CG2 3.82Å; I160-T164 HydrophobicContact CG2-CG2 4.13Å; I160-T164 WeakPolarHBondContact O-CG2 3.26Å; I160-T164 PolarHBondContact O-N 2.96Å; I160-T164 PolarHBondContact O-OG1 2.76Å; I160-T164 VanDerWaalsContact O-OG1 3.1Å; T164-D166 VanDerWaalsContact C-N 3.28Å; T164-D166 WeakPolarHBondContact CB-OD2 3.39Å; T164-D166 VanDerWaalsContact OG1-CG 3.3Å; T164-D166 PolarHBondContact OG1-OD2 3.32Å
165G86.2Confident90.8Very high54 Ų5468.8 Ų68.856%0.55738%0.378SS*.THydrogen-bonded Turntrans75.715.9-173.900000113.6A161 I162 I167A161-G165 WeakPolarHBondContact O-CA 3.2Å; A161-G165 PolarHBondContact O-N 3.44Å; I162-G165 PolarHBondContact O-N 3.45Å; G165-I167 PolarHBondContact O-N 3.31Å
166D81.2Confident90.2Very high126 Ų12672.2 Ų72.267%0.67440%0.396SS*.  trans-83.258.8176.6-65.4-46.2000110.7A161 T164A161-D166 PolarHBondContact O-N 3.24Å; A161-D166 VanDerWaalsContact O-N 3.09Å; T164-D166 VanDerWaalsContact C-N 3.28Å; T164-D166 WeakPolarHBondContact CB-OD2 3.39Å; T164-D166 VanDerWaalsContact OG1-CG 3.3Å; T164-D166 PolarHBondContact OG1-OD2 3.32Å
167I63Low89.6Confident143 Ų14371.2 Ų71.273%0.73340%0.397SS*.  trans-102.70-178.8-54.5157.1000111.1F146 G165F146-I167 HydrophobicContact CD1-CD1 4.3Å; F146-I167 HydrophobicContact CE1-CD1 3.71Å; G165-I167 PolarHBondContact O-N 3.31Å

Retrieved 167 of 167 residues in 404.2 ms (Link to these results)

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