A0A087WYS5_HUMAN Loading...

Trafficking protein particle complex subunit 3

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB (A0A2R8NCA5), UniProt , Accession A0A087WYS5, Species HUMAN (Homo sapiens, Human), Gene TRAPPC3, Length 114 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
1M43.6Very low38.5Very low245 Ų245149.7 Ų149.7100%1.20780%0.801SS**  0110.90-68.1164.8168.400105.6
2S42.4Very low39.3Very low114 Ų114152.5 Ų152.580%0.79780%0.8SS**  cis-165.29444.929.50000108.3
3R43.2Very low40.4Very low244 Ų244154.3 Ų154.392%0.92180%0.797SS**SBendtrans-12122173.3-84.8-172.6172.6178.5-1.9112.7
4Q41.1Very low41.9Very low181 Ų181147.7 Ų147.785%0.84676%0.762SS**  trans-130.215.8-166.3-139.4166.2-1200114.3
5A38.2Very low44.8Very low92 Ų92142.2 Ų142.276%0.7674%0.738SS**SBendtrans-102.8-8.8-179.200000115
6N39.8Very low47.7Very low136 Ų136136.9 Ų136.973%0.72772%0.721SS**SBendtrans-105.24.4-172-119.620.5000116.1G8N6-G8 VanDerWaalsContact C-N 3.34Å
7R40.5Very low50.4Low212 Ų212130.3 Ų130.380%0.869%0.685SS**SBendtrans-90.54.4177.2-60.5-172.3-158.4-1794.4113.7
8G29.2Very low52.7Low73 Ų73129.8 Ų129.875%0.75368%0.677SS**SBendtrans-99.1-5.3-174.300000115.7N6N6-G8 VanDerWaalsContact C-N 3.34Å
9T33.9Very low54.9Low86 Ų86129.6 Ų129.653%0.52867%0.673SS.*SBendtrans-109.5-9.1-177.544.80000114.1S11T9-S11 PolarHBondContact O-N 2.93Å; T9-S11 VanDerWaalsContact O-N 3.07Å
10E33.7Very low57Low163 Ų163132.2 Ų132.276%0.76268%0.675SS**THydrogen-bonded Turntrans-73.812.1179.6-85.8172.8104.500114.9
11S37.9Very low58.8Low101 Ų101128 Ų12871%0.70665%0.654SS**THydrogen-bonded Turntrans-129.935.9176.1-68.60000113.3T9 K13T9-S11 PolarHBondContact O-N 2.93Å; T9-S11 VanDerWaalsContact O-N 3.07Å; S11-K13 PolarHBondContact O-N 3.3Å
12K48.3Very low61.2Low183 Ų183118.2 Ų118.280%0.79662%0.617SS**  trans-79.867.2166.8-80-178.4177.9177.80110.9M14K12-M14 PolarHBondContact O-N 2.75Å; K12-M14 VanDerWaalsContact O-N 3.14Å
13K53.7Low63.7Low176 Ų176114 Ų11477%0.76559%0.585SS**  trans-2.692.9155-78.4179.7-173.1-1760115.4S11 V15S11-K13 PolarHBondContact O-N 3.3Å; K13-V15 HydrophobicContact CB-CB 4.34Å; K13-V15 HydrophobicContact CB-CG2 3.52Å; K13-V15 HydrophobicContact CD-CG2 3.97Å; K13-V15 HydrophobicContact CG-CG2 3.79Å; K13-V15 PolarHBondContact O-N 3.02Å
14M61.4Low66.1Low62 Ų62106.8 Ų106.831%0.30557%0.568SS.*  trans-70.862.1154.4-63.5153.346.100109.7K12 T24 P25 I27K12-M14 PolarHBondContact O-N 2.75Å; K12-M14 VanDerWaalsContact O-N 3.14Å; M14-T24 HydrophobicContact CE-CG2 3.21Å; M14-T24 HydrophobicContact SD-CG2 4.25Å; M14-P25 VanDerWaalsContact CE-C 3.48Å; M14-P25 WeakPolarHBondContact CE-O 3.5Å; M14-P25 VanDerWaalsContact SD-O 3.37Å; M14-I27 HydrophobicContact CG-CD1 4.43Å
15V84.6Confident68.7Low65 Ų6598.3 Ų98.339%0.39453%0.528SS..Hα-helixtrans-79-34.8-176.51650000110.6K13 F17 K18 M19K13-V15 HydrophobicContact CB-CB 4.34Å; K13-V15 HydrophobicContact CB-CG2 3.52Å; K13-V15 HydrophobicContact CD-CG2 3.97Å; K13-V15 HydrophobicContact CG-CG2 3.79Å; K13-V15 PolarHBondContact O-N 3.02Å; V15-F17 PolarHBondContact O-N 2.9Å; V15-K18 PolarHBondContact O-N 3.15Å; V15-M19 HydrophobicContact CG1-CB 4.41Å; V15-M19 HydrophobicContact CG1-CE 3.62Å; V15-M19 WeakPolarHBondContact O-CB 3.25Å; V15-M19 PolarHBondContact O-N 2.91Å
16A91.1Very high71.4Confident57 Ų5796 Ų9647%0.47151%0.507SS..Hα-helixtrans-58.8-54.2-174.900000112.3K18 M19 Y20A16-K18 VanDerWaalsContact C-N 3.33Å; A16-K18 PolarHBondContact O-N 3.1Å; A16-M19 PolarHBondContact O-N 2.9Å; A16-Y20 HydrophobicContact CB-CD2 4.36Å; A16-Y20 WeakPolarHBondContact O-CB 3.14Å; A16-Y20 WeakPolarHBondContact O-CD2 3.17Å; A16-Y20 PolarHBondContact O-N 2.86Å
17F93.6Very high74.1Confident25 Ų2593.1 Ų93.111%0.1149%0.491CS..Hα-helixtrans-63.3-38.6178.7-82.4-85.7000112.6V15 M19 L21 G22 I23 P25 L39 L41 L69V15-F17 PolarHBondContact O-N 2.9Å; F17-M19 VanDerWaalsContact C-N 3.34Å; F17-M19 PolarHBondContact O-N 3.41Å; F17-L21 HydrophobicContact CD1-CD1 3.82Å; F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 CarbonylContact O-C 3.39Å; F17-L21 WeakPolarHBondContact O-CA 3.2Å; F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 PolarHBondContact O-N 3.25Å; F17-G22 PolarHBondContact O-N 3.07Å; F17-I23 CarbonylContact C-O 3.39Å; F17-I23 HydrophobicContact CB-CG1 4.2Å; F17-I23 HydrophobicContact CD1-CD1 4.05Å; F17-I23 HydrophobicContact CD1-CG1 4.09Å; F17-I23 PolarHBondContact O-N 3.49Å; F17-P25 VanDerWaalsContact CB-CD 3.46Å; F17-P25 HydrophobicContact CB-CG 3.89Å; F17-P25 HydrophobicContact CD1-CG 3.66Å; F17-P25 HydrophobicContact CD2-CG 3.86Å; F17-P25 HydrophobicContact CE1-CG 4.13Å; F17-P25 HydrophobicContact CE2-CG 4.29Å; F17-P25 HydrophobicContact CG-CG 3.52Å; F17-P25 HydrophobicContact CZ-CG 4.42Å; F17-L39 HydrophobicContact CE2-CD1 4.05Å; F17-L39 HydrophobicContact CZ-CD1 4.3Å; F17-L41 HydrophobicContact CE1-CD2 4.25Å; F17-L69 HydrophobicContact CE2-CD2 4.11Å; F17-L69 HydrophobicContact CZ-CD1 4.4Å; F17-L69 HydrophobicContact CZ-CD2 4.32Å
18K93.4Very high76.7Confident122 Ų12285.2 Ų85.253%0.5347%0.466SS..Hα-helixtrans-67.5-37.8178.2-174.859.5-178.7179.70111.8V15 A16 G22 I23V15-K18 PolarHBondContact O-N 3.15Å; A16-K18 VanDerWaalsContact C-N 3.33Å; A16-K18 PolarHBondContact O-N 3.1Å; K18-G22 WeakPolarHBondContact CD-O 3.09Å; K18-G22 PolarHBondContact NZ-O 2.81Å; K18-G22 VanDerWaalsContact O-CA 3.25Å; K18-G22 WeakPolarHBondContact O-CA 3.38Å; K18-G22 PolarHBondContact O-N 3.49Å; K18-I23 WeakPolarHBondContact CA-O 3.39Å; K18-I23 PolarHBondContact N-O 3.11Å
19M94.6Very high79.9Confident125 Ų12586.5 Ų86.562%0.61646%0.456SS*.Hα-helixtrans-72.8-45.7-179.2-179.4-177.3-76.100112.3V15 A16 F17V15-M19 HydrophobicContact CG1-CB 4.41Å; V15-M19 HydrophobicContact CG1-CE 3.62Å; V15-M19 WeakPolarHBondContact O-CB 3.25Å; V15-M19 PolarHBondContact O-N 2.91Å; A16-M19 PolarHBondContact O-N 2.9Å; F17-M19 VanDerWaalsContact C-N 3.34Å; F17-M19 PolarHBondContact O-N 3.41Å
20Y95.5Very high82.9Confident182 Ų18289.4 Ų89.471%0.71446%0.457SS*.Hα-helixtrans-94.3-27.6-172.6-64.2-61.7000114.2A16A16-Y20 HydrophobicContact CB-CD2 4.36Å; A16-Y20 WeakPolarHBondContact O-CB 3.14Å; A16-Y20 WeakPolarHBondContact O-CD2 3.17Å; A16-Y20 PolarHBondContact O-N 2.86Å
21L95.2Very high85.9Confident43 Ų4382.5 Ų82.523%0.22543%0.427CS..Hα-helixtrans-126.8-2.4-175.8-66173.8000113.4F17 I23 P45 L46 L65F17-L21 HydrophobicContact CD1-CD1 3.82Å; F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 CarbonylContact O-C 3.39Å; F17-L21 WeakPolarHBondContact O-CA 3.2Å; F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 PolarHBondContact O-N 3.25Å; L21-I23 HydrophobicContact CB-CD1 4.47Å; L21-I23 HydrophobicContact CB-CG1 4Å; L21-I23 PolarHBondContact O-N 3.17Å; L21-I23 VanDerWaalsContact O-N 3.17Å; L21-P45 HydrophobicContact CB-CG 4.2Å; L21-P45 HydrophobicContact CD2-CG 4.37Å; L21-L46 HydrophobicContact CD2-CD2 4.03Å; L21-L46 HydrophobicContact CD2-CG 4.32Å; L21-L65 HydrophobicContact CD1-CD2 3.76Å
22G94.9Very high88.7Confident41 Ų4184.7 Ų84.742%0.42344%0.439SS..SBendtrans73.8-0.5179.400000115.4F17 K18F17-G22 PolarHBondContact O-N 3.07Å; K18-G22 WeakPolarHBondContact CD-O 3.09Å; K18-G22 PolarHBondContact NZ-O 2.81Å; K18-G22 VanDerWaalsContact O-CA 3.25Å; K18-G22 WeakPolarHBondContact O-CA 3.38Å; K18-G22 PolarHBondContact O-N 3.49Å
23I94.2Very high90.9Very high26 Ų2680 Ų8013%0.13343%0.434CS..  trans-108.1168.4-174.866171.9000113.2F17 K18 L21 P25 L41 N43 P45F17-I23 CarbonylContact C-O 3.39Å; F17-I23 HydrophobicContact CB-CG1 4.2Å; F17-I23 HydrophobicContact CD1-CD1 4.05Å; F17-I23 HydrophobicContact CD1-CG1 4.09Å; F17-I23 PolarHBondContact O-N 3.49Å; K18-I23 WeakPolarHBondContact CA-O 3.39Å; K18-I23 PolarHBondContact N-O 3.11Å; L21-I23 HydrophobicContact CB-CD1 4.47Å; L21-I23 HydrophobicContact CB-CG1 4Å; L21-I23 PolarHBondContact O-N 3.17Å; L21-I23 VanDerWaalsContact O-N 3.17Å; I23-P25 HydrophobicContact CD1-CG 4.27Å; I23-P25 HydrophobicContact CG1-CG 4.39Å; I23-L41 HydrophobicContact CD1-CB 4.48Å; I23-L41 HydrophobicContact CD1-CD2 3.69Å; I23-L41 HydrophobicContact CD1-CG 3.88Å; I23-N43 WeakPolarHBondContact CD1-O 3.46Å; I23-P45 HydrophobicContact CG2-CG 4.27Å
24T94.4Very high92.9Very high91 Ų9173.8 Ų73.856%0.55842%0.42SS*.  trans-137.585.9-177.6-620000108.2M14M14-T24 HydrophobicContact CE-CG2 3.21Å; M14-T24 HydrophobicContact SD-CG2 4.25Å
25P94.7Very high94.5Very high3 Ų373.9 Ų73.92%0.01942%0.422CS..  trans-67.2134.6-175.6-20.232000114.3M14 F17 I23 I40 L41M14-P25 VanDerWaalsContact CE-C 3.48Å; M14-P25 WeakPolarHBondContact CE-O 3.5Å; M14-P25 VanDerWaalsContact SD-O 3.37Å; F17-P25 VanDerWaalsContact CB-CD 3.46Å; F17-P25 HydrophobicContact CB-CG 3.89Å; F17-P25 HydrophobicContact CD1-CG 3.66Å; F17-P25 HydrophobicContact CD2-CG 3.86Å; F17-P25 HydrophobicContact CE1-CG 4.13Å; F17-P25 HydrophobicContact CE2-CG 4.29Å; F17-P25 HydrophobicContact CG-CG 3.52Å; F17-P25 HydrophobicContact CZ-CG 4.42Å; I23-P25 HydrophobicContact CD1-CG 4.27Å; I23-P25 HydrophobicContact CG1-CG 4.39Å; P25-I40 CarbonylContact C-O 3.4Å; P25-I40 WeakPolarHBondContact CA-O 3.32Å; P25-I40 VanDerWaalsContact CB-O 3.29Å; P25-I40 WeakPolarHBondContact CB-O 3.5Å; P25-L41 HydrophobicContact CB-CD1 3.93Å; P25-L41 HydrophobicContact CB-CG 4.18Å; P25-L41 HydrophobicContact CG-CD1 4.06Å; P25-L41 HydrophobicContact CG-CG 4Å
26S95.1Very high95.1Very high45 Ų4572.5 Ų72.532%0.31541%0.411SS..EExtended strand (participates in β ladder)trans-72.8146.6176.166.40000111.7I40S26-I40 PolarHBondContact N-O 3.32Å; S26-I40 PolarHBondContact O-N 2.86Å; S26-I40 WeakPolarHBondContact OG-CB 3.49Å
27I95.7Very high95.5Very high75 Ų7572 Ų7239%0.38540%0.398SS..EExtended strand (participates in β ladder)trans-104.2119.5177.5-54.8-179.8000108.5M14 W30 F37 S38 L39M14-I27 HydrophobicContact CG-CD1 4.43Å; I27-W30 HydrophobicContact CG2-CZ2 3.8Å; I27-F37 HydrophobicContact CG2-CB 4.2Å; I27-F37 HydrophobicContact CG2-CD2 3.66Å; I27-F37 HydrophobicContact CG2-CE2 4.34Å; I27-F37 HydrophobicContact CG2-CG 4.13Å; I27-S38 WeakPolarHBondContact CA-O 3.49Å; I27-L39 HydrophobicContact CG1-CD2 3.98Å
28T96.1Very high95.7Very high46 Ų4670.9 Ų70.928%0.28239%0.393SS..EExtended strand (participates in β ladder)trans-139.8-177.7-174.266.10000111.7W30 S38 I40T28-W30 VanDerWaalsContact C-N 3.32Å; T28-W30 PolarHBondContact O-N 3.27Å; T28-W30 VanDerWaalsContact O-N 3.17Å; T28-S38 PolarHBondContact N-O 3.49Å; T28-S38 PolarHBondContact O-N 3.18Å; T28-I40 HydrophobicContact CG2-CG1 4.26Å; T28-I40 WeakPolarHBondContact OG1-CG1 3.5Å
29N95.9Very high95.9Very high100 Ų10065.7 Ų65.754%0.53537%0.371SS..  trans53.840.3168.2-59.9-17.8000115S31 R98N29-S31 PolarHBondContact O-N 3.27Å; N29-R98 PolarHBondContact O-NH1 3.5Å; N29-R98 PolarHBondContact O-NH2 3.25Å
30W97.6Very high96Very high146 Ų14660.7 Ų60.755%0.55335%0.347SS*.  trans-56.4133.7175.4-73.889.1000111.6I27 T28 E36 F37I27-W30 HydrophobicContact CG2-CZ2 3.8Å; T28-W30 VanDerWaalsContact C-N 3.32Å; T28-W30 PolarHBondContact O-N 3.27Å; T28-W30 VanDerWaalsContact O-N 3.17Å; W30-E36 CarbonylContact C-O 3.5Å; W30-E36 VanDerWaalsContact CA-O 3.3Å; W30-E36 WeakPolarHBondContact CA-O 3.17Å; W30-F37 HydrophobicContact CD2-CB 3.68Å; W30-F37 HydrophobicContact CE3-CB 3.82Å; W30-F37 HydrophobicContact CE3-CD1 4.31Å; W30-F37 HydrophobicContact CE3-CG 4.47Å; W30-F37 HydrophobicContact CG-CB 4.2Å; W30-F37 HydrophobicContact CH2-CB 4.15Å; W30-F37 AromaticContact CH2-CD1 3.61Å; W30-F37 HydrophobicContact CH2-CD1 3.61Å; W30-F37 HydrophobicContact CH2-CE1 4.23Å; W30-F37 AromaticContact CH2-CG 3.99Å; W30-F37 HydrophobicContact CH2-CG 3.99Å; W30-F37 HydrophobicContact CZ2-CB 4.02Å; W30-F37 HydrophobicContact CZ2-CD1 4.15Å; W30-F37 HydrophobicContact CZ2-CG 4.07Å; W30-F37 HydrophobicContact CZ3-CB 4.06Å; W30-F37 AromaticContact CZ3-CD1 3.7Å; W30-F37 HydrophobicContact CZ3-CD1 3.7Å; W30-F37 HydrophobicContact CZ3-CG 4.2Å
31S96.4Very high96.1Very high19 Ų1952 Ų5213%0.13331%0.313CS..  trans-65.4152.1169.865.50000110.1N29 A33 G34 D35 E36N29-S31 PolarHBondContact O-N 3.27Å; S31-A33 PolarHBondContact O-N 3.49Å; S31-G34 PolarHBondContact O-N 2.83Å; S31-G34 PolarHBondContact OG-N 2.97Å; S31-D35 PolarHBondContact OG-N 3.14Å; S31-D35 PolarHBondContact OG-OD1 3.4Å; S31-E36 PolarHBondContact N-O 3.43Å; S31-E36 PolarHBondContact OG-N 3.12Å
32P96.1Very high95.9Very high147 Ų14757.9 Ų57.996%0.95534%0.339SS*.THydrogen-bonded Turntrans-57.6-29.4173.9-26.135.1000113.7G34P32-G34 VanDerWaalsContact C-N 3.29Å
33A95.8Very high95.8Very high83 Ų8360.2 Ų60.269%0.68634%0.342SS*.THydrogen-bonded Turntrans-78.5-10.9176.200000113.3S31 D35S31-A33 PolarHBondContact O-N 3.49Å; A33-D35 PolarHBondContact O-N 2.89Å
34G94.1Very high95.8Very high46 Ų4659.2 Ų59.247%0.47434%0.337SS..SBendtrans72.411.9179.500000114.5S31 P32S31-G34 PolarHBondContact O-N 2.83Å; S31-G34 PolarHBondContact OG-N 2.97Å; P32-G34 VanDerWaalsContact C-N 3.29Å
35D95.8Very high96Very high64 Ų6457 Ų5734%0.34232%0.324SS..SBendtrans-98.4-9.3-178.264.4-17.1000113.4S31 A33 R100 F101S31-D35 PolarHBondContact OG-N 3.14Å; S31-D35 PolarHBondContact OG-OD1 3.4Å; A33-D35 PolarHBondContact O-N 2.89Å; D35-R100 CarbonylContact O-C 3.54Å; D35-R100 WeakPolarHBondContact O-CA 3.44Å; D35-F101 HydrophobicContact CB-CB 4.45Å; D35-F101 WeakPolarHBondContact O-CB 3.34Å; D35-F101 PolarHBondContact O-N 2.84Å
36E97.8Very high96.1Very high36 Ų3660 Ų6017%0.16834%0.34CS..EExtended strand (participates in β ladder)trans-131.9149.5174-51.4-170.2169.700111.7W30 S31 R98 M99 R100W30-E36 CarbonylContact C-O 3.5Å; W30-E36 VanDerWaalsContact CA-O 3.3Å; W30-E36 WeakPolarHBondContact CA-O 3.17Å; S31-E36 PolarHBondContact N-O 3.43Å; S31-E36 PolarHBondContact OG-N 3.12Å; E36-R98 VanDerWaalsContact CB-NH2 3.3Å; E36-R98 IonicContact OE2-CZ 3.11Å; E36-R98 IonicContact OE2-NE 3.7Å; E36-R98 PolarHBondContact OE2-NE 3.22Å; E36-R98 IonicContact OE2-NH2 3.7Å; E36-R98 PolarHBondContact OE2-NH2 2.81Å; E36-M99 CarbonylContact C-O 3.6Å; E36-M99 WeakPolarHBondContact CA-O 3.31Å; E36-M99 WeakPolarHBondContact CB-O 3.1Å; E36-R100 HydrophobicContact CG-CB 3.77Å; E36-R100 HydrophobicContact CG-CG 3.92Å; E36-R100 VanDerWaalsContact OE1-CD 3.25Å; E36-R100 WeakPolarHBondContact OE1-CD 3.38Å; E36-R100 IonicContact OE1-CZ 3.1Å; E36-R100 IonicContact OE1-NE 2.86Å; E36-R100 IonicContact OE1-NH1 2.6Å; E36-R100 PolarHBondContact OE1-NH1 3.25Å; E36-R100 VanDerWaalsContact OE1-NH1 3.11Å
37F98.1Very high96.1Very high48 Ų4858.5 Ų58.521%0.21133%0.329CS..EExtended strand (participates in β ladder)trans-154.3168.1171.863.8-90.3000110.1I27 W30 L39 M99I27-F37 HydrophobicContact CG2-CB 4.2Å; I27-F37 HydrophobicContact CG2-CD2 3.66Å; I27-F37 HydrophobicContact CG2-CE2 4.34Å; I27-F37 HydrophobicContact CG2-CG 4.13Å; W30-F37 HydrophobicContact CD2-CB 3.68Å; W30-F37 HydrophobicContact CE3-CB 3.82Å; W30-F37 HydrophobicContact CE3-CD1 4.31Å; W30-F37 HydrophobicContact CE3-CG 4.47Å; W30-F37 HydrophobicContact CG-CB 4.2Å; W30-F37 HydrophobicContact CH2-CB 4.15Å; W30-F37 AromaticContact CH2-CD1 3.61Å; W30-F37 HydrophobicContact CH2-CD1 3.61Å; W30-F37 HydrophobicContact CH2-CE1 4.23Å; W30-F37 AromaticContact CH2-CG 3.99Å; W30-F37 HydrophobicContact CH2-CG 3.99Å; W30-F37 HydrophobicContact CZ2-CB 4.02Å; W30-F37 HydrophobicContact CZ2-CD1 4.15Å; W30-F37 HydrophobicContact CZ2-CG 4.07Å; W30-F37 HydrophobicContact CZ3-CB 4.06Å; W30-F37 AromaticContact CZ3-CD1 3.7Å; W30-F37 HydrophobicContact CZ3-CD1 3.7Å; W30-F37 HydrophobicContact CZ3-CG 4.2Å; F37-L39 HydrophobicContact CD2-CD2 4.41Å; F37-L39 HydrophobicContact CD2-CG 4.41Å; F37-L39 HydrophobicContact CE2-CD2 3.83Å; F37-L39 HydrophobicContact CE2-CG 3.87Å; F37-M99 HydrophobicContact CD1-CB 4.11Å; F37-M99 HydrophobicContact CD2-CB 4.07Å; F37-M99 HydrophobicContact CD2-CG 4.26Å; F37-M99 HydrophobicContact CE1-CB 3.74Å; F37-M99 HydrophobicContact CE1-CG 4.41Å; F37-M99 HydrophobicContact CE2-CB 3.72Å; F37-M99 HydrophobicContact CE2-CG 3.61Å; F37-M99 HydrophobicContact CG-CB 4.27Å; F37-M99 HydrophobicContact CZ-CB 3.53Å; F37-M99 HydrophobicContact CZ-CG 3.7Å; F37-M99 PolarHBondContact N-O 2.87Å; F37-M99 PolarHBondContact O-N 3.42Å
38S98.2Very high96Very high0 Ų059.2 Ų59.20%033%0.333CS..EExtended strand (participates in β ladder)trans-112.6137.7177.4-63.60000111.2I27 T28 E96 R98I27-S38 WeakPolarHBondContact CA-O 3.49Å; T28-S38 PolarHBondContact N-O 3.49Å; T28-S38 PolarHBondContact O-N 3.18Å; S38-E96 WeakPolarHBondContact CB-OE1 3.48Å; S38-E96 PolarHBondContact OG-OE1 3.38Å; S38-R98 WeakPolarHBondContact OG-CD 3.3Å; S38-R98 PolarHBondContact OG-NH1 2.87Å
39L97.6Very high96Very high14 Ų1466.6 Ų66.67%0.07336%0.362CS..EExtended strand (participates in β ladder)trans-98.4118.8167.4-66.7172.9000108.3F17 I27 F37 L41 L69 E96 I97 M99F17-L39 HydrophobicContact CE2-CD1 4.05Å; F17-L39 HydrophobicContact CZ-CD1 4.3Å; I27-L39 HydrophobicContact CG1-CD2 3.98Å; F37-L39 HydrophobicContact CD2-CD2 4.41Å; F37-L39 HydrophobicContact CD2-CG 4.41Å; F37-L39 HydrophobicContact CE2-CD2 3.83Å; F37-L39 HydrophobicContact CE2-CG 3.87Å; L39-L41 HydrophobicContact CB-CD1 4.29Å; L39-L69 HydrophobicContact CD1-CD1 4.09Å; L39-L69 HydrophobicContact CD1-CD2 4.49Å; L39-E96 WeakPolarHBondContact O-CA 3.39Å; L39-I97 HydrophobicContact CB-CB 4.34Å; L39-I97 PolarHBondContact N-O 3.21Å; L39-I97 PolarHBondContact O-N 3.35Å; L39-M99 HydrophobicContact CD1-CG 3.88Å; L39-M99 HydrophobicContact CD1-SD 4.25Å; L39-M99 HydrophobicContact CG-CG 4.11Å
40I97.8Very high96Very high19 Ų1963.8 Ų63.810%0.09735%0.348CS..EExtended strand (participates in β ladder)trans-103.9115.9178.7-48-58.4000109.3P25 S26 T28 V94 E96P25-I40 CarbonylContact C-O 3.4Å; P25-I40 WeakPolarHBondContact CA-O 3.32Å; P25-I40 VanDerWaalsContact CB-O 3.29Å; P25-I40 WeakPolarHBondContact CB-O 3.5Å; S26-I40 PolarHBondContact N-O 3.32Å; S26-I40 PolarHBondContact O-N 2.86Å; S26-I40 WeakPolarHBondContact OG-CB 3.49Å; T28-I40 HydrophobicContact CG2-CG1 4.26Å; T28-I40 WeakPolarHBondContact OG1-CG1 3.5Å; I40-V94 HydrophobicContact CG2-CB 3.95Å; I40-V94 HydrophobicContact CG2-CG1 4.11Å; I40-V94 HydrophobicContact CG2-CG2 3.97Å; I40-E96 HydrophobicContact CD1-CB 3.92Å; I40-E96 HydrophobicContact CD1-CG 3.71Å
41L96.2Very high95.9Very high1 Ų165.3 Ų65.31%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-98.598.8174.2-73.271.2000107.3F17 I23 P25 L39 N43 N44 L65 T95 I97F17-L41 HydrophobicContact CE1-CD2 4.25Å; I23-L41 HydrophobicContact CD1-CB 4.48Å; I23-L41 HydrophobicContact CD1-CD2 3.69Å; I23-L41 HydrophobicContact CD1-CG 3.88Å; P25-L41 HydrophobicContact CB-CD1 3.93Å; P25-L41 HydrophobicContact CB-CG 4.18Å; P25-L41 HydrophobicContact CG-CD1 4.06Å; P25-L41 HydrophobicContact CG-CG 4Å; L39-L41 HydrophobicContact CB-CD1 4.29Å; L41-N43 PolarHBondContact O-N 3.41Å; L41-N44 HydrophobicContact CD2-CB 4.26Å; L41-L65 HydrophobicContact CD2-CD1 4.15Å; L41-T95 HydrophobicContact CB-CG2 4.12Å; L41-T95 HydrophobicContact CD2-CG2 4.35Å; L41-T95 PolarHBondContact N-O 2.92Å; L41-T95 PolarHBondContact O-N 2.93Å; L41-I97 HydrophobicContact CD1-CD1 4.45Å
42E92.2Very high95.8Very high166 Ų16665.7 Ų65.778%0.77636%0.362SS*.SBendtrans-65-31.9174.1-67.1-176.4-172.400111.9
43N91.8Very high95.7Very high90 Ų9062.1 Ų62.148%0.48134%0.338SS..  trans-131.8123.7170.4-177.1-26.3000108.3I23 L41 D48I23-N43 WeakPolarHBondContact CD1-O 3.46Å; L41-N43 PolarHBondContact O-N 3.41Å; N43-D48 PolarHBondContact OD1-OD1 3.36Å
44N95.5Very high95.5Very high5 Ų566 Ų663%0.02735%0.348CS..  trans-109.2104.1172.3176.213.5000109.3L41 L46 V47 S62L41-N44 HydrophobicContact CD2-CB 4.26Å; N44-L46 PolarHBondContact O-N 3.17Å; N44-L46 WeakPolarHBondContact OD1-CB 3.37Å; N44-L46 PolarHBondContact OD1-N 3.4Å; N44-V47 HydrophobicContact CB-CG2 4.04Å; N44-V47 VanDerWaalsContact O-CG2 3.28Å; N44-V47 WeakPolarHBondContact O-CG2 2.7Å; N44-V47 PolarHBondContact O-N 2.9Å; N44-V47 VanDerWaalsContact O-N 3.08Å; N44-S62 PolarHBondContact ND2-OG 2.88Å
45P96.8Very high95.5Very high45 Ų4570 Ų7029%0.29236%0.358SS..THydrogen-bonded Turntrans-66.4-14.8-173.528.4-36.8000113.4L21 I23 V47L21-P45 HydrophobicContact CB-CG 4.2Å; L21-P45 HydrophobicContact CD2-CG 4.37Å; I23-P45 HydrophobicContact CG2-CG 4.27Å; P45-V47 PolarHBondContact O-N 3.03Å
46L96.8Very high95.3Very high65 Ų6571.1 Ų71.134%0.3436%0.361SS..THydrogen-bonded Turntrans-71.4-13.8177.4-58.4-177.7000112.7L21 N44 Y61 L65L21-L46 HydrophobicContact CD2-CD2 4.03Å; L21-L46 HydrophobicContact CD2-CG 4.32Å; N44-L46 PolarHBondContact O-N 3.17Å; N44-L46 WeakPolarHBondContact OD1-CB 3.37Å; N44-L46 PolarHBondContact OD1-N 3.4Å; L46-Y61 WeakPolarHBondContact O-CE1 3.48Å; L46-L65 HydrophobicContact CD1-CD1 4.16Å; L46-L65 HydrophobicContact CD1-CD2 3.89Å; L46-L65 HydrophobicContact CD1-CG 4.03Å
47V96.6Very high94.9Very high14 Ų1473.5 Ų73.59%0.08538%0.382CS..SBendtrans-120.74.9-173.4-53.10000114.4N44 P45 F49 V50 Y61 L89N44-V47 HydrophobicContact CB-CG2 4.04Å; N44-V47 VanDerWaalsContact O-CG2 3.28Å; N44-V47 WeakPolarHBondContact O-CG2 2.7Å; N44-V47 PolarHBondContact O-N 2.9Å; N44-V47 VanDerWaalsContact O-N 3.08Å; P45-V47 PolarHBondContact O-N 3.03Å; V47-F49 PolarHBondContact O-N 2.92Å; V47-V50 HydrophobicContact CB-CB 4.36Å; V47-V50 PolarHBondContact O-N 3.19Å; V47-Y61 HydrophobicContact CG1-CD1 3.87Å; V47-Y61 HydrophobicContact CG1-CE1 4.43Å; V47-L89 HydrophobicContact CB-CD1 3.89Å; V47-L89 HydrophobicContact CB-CD2 3.99Å; V47-L89 HydrophobicContact CB-CG 3.86Å; V47-L89 HydrophobicContact CG1-CD1 3.48Å; V47-L89 VanDerWaalsContact CG1-CD1 3.48Å; V47-L89 HydrophobicContact CG1-CD2 4.5Å; V47-L89 HydrophobicContact CG1-CG 3.87Å; V47-L89 HydrophobicContact CG2-CG 4.36Å
48D93.7Very high94.7Very high89 Ų8976.3 Ų76.348%0.47641%0.407SS..THydrogen-bonded Turntrans-53.2-27.4-174-77.9-9.5000114.8N43N43-D48 PolarHBondContact OD1-OD1 3.36Å
49F94.6Very high94.6Very high202 Ų20279.9 Ų79.989%0.88643%0.426SS*.THydrogen-bonded Turntrans-130.626.7-179-51.7-68.4000112.2V47V47-F49 PolarHBondContact O-N 2.92Å
50V96.7Very high94.7Very high40 Ų4082 Ų8224%0.24244%0.437CS..  trans-107.9133.5-178.1-179.10000108.8V47 Y61 L89V47-V50 HydrophobicContact CB-CB 4.36Å; V47-V50 PolarHBondContact O-N 3.19Å; V50-Y61 HydrophobicContact CG1-CD2 3.93Å; V50-Y61 HydrophobicContact CG1-CE1 4.34Å; V50-Y61 HydrophobicContact CG1-CE2 3.73Å; V50-Y61 HydrophobicContact CG1-CG 4.32Å; V50-Y61 HydrophobicContact CG2-CE1 3.89Å; V50-Y61 HydrophobicContact CG2-CE2 4.32Å; V50-L89 HydrophobicContact CB-CD1 4.26Å; V50-L89 HydrophobicContact CB-CD2 4.1Å; V50-L89 HydrophobicContact CG1-CD1 3.76Å; V50-L89 HydrophobicContact CG1-CD2 4.12Å; V50-L89 WeakPolarHBondContact O-CD2 3.42Å
51E94.6Very high94.7Very high178 Ų17886.6 Ų86.683%0.83245%0.454SS*.  trans-125.5134.1167.7-172.6174.6-175.500107.9
52L94.5Very high94.8Very high28 Ų2886.7 Ų86.715%0.14745%0.454CS..  trans-89.4126.9-178.4-167.563.1000109.4H56 L59L52-H56 HydrophobicContact CD1-CB 3.63Å; L52-H56 WeakPolarHBondContact CD2-O 3.48Å; L52-H56 HydrophobicContact CG-CB 3.97Å; L52-L59 HydrophobicContact CD1-CB 4.14Å; L52-L59 HydrophobicContact CD1-CD2 3.74Å; L52-L59 HydrophobicContact CD1-CG 4.44Å
53P94.8Very high95Very high72 Ų7282 Ų8247%0.46844%0.435SS..  trans-61.6147.5171.9-24.135.4000111.7N55 H56P53-N55 VanDerWaalsContact CB-OD1 3.3Å; P53-N55 WeakPolarHBondContact CB-OD1 3.22Å; P53-N55 PolarHBondContact O-N 3.49Å; P53-H56 PolarHBondContact O-N 3.36Å
54D90.6Very high95.3Very high165 Ų16583.7 Ų83.788%0.88244%0.443SS*.G310 helixtrans-52.4-33.9-178-65.7-26.8000113.8H56D54-H56 PolarHBondContact O-N 3.47Å
55N94.1Very high95.4Very high128 Ų12884.1 Ų84.168%0.68445%0.445SS*.G310 helixtrans-80.21.8-179.566.4-20.2000114.4P53P53-N55 VanDerWaalsContact CB-OD1 3.3Å; P53-N55 WeakPolarHBondContact CB-OD1 3.22Å; P53-N55 PolarHBondContact O-N 3.49Å
56H93.1Very high95.5Very high89 Ų8982 Ų8241%0.41243%0.431SS..G310 helixtrans-115.820-178.4-74.874.9000113.7L52 P53 D54 S58 L59L52-H56 HydrophobicContact CD1-CB 3.63Å; L52-H56 WeakPolarHBondContact CD2-O 3.48Å; L52-H56 HydrophobicContact CG-CB 3.97Å; P53-H56 PolarHBondContact O-N 3.36Å; D54-H56 PolarHBondContact O-N 3.47Å; H56-S58 PolarHBondContact O-N 2.79Å; H56-L59 HydrophobicContact CB-CB 4.4Å; H56-L59 VanDerWaalsContact O-CB 3.22Å; H56-L59 WeakPolarHBondContact O-CB 3.42Å; H56-L59 PolarHBondContact O-N 2.75Å
57S89.1Confident95.6Very high86 Ų8680.3 Ų80.360%0.60143%0.429SS*.THydrogen-bonded Turntrans-54-22.5-178.759.70000115.6K90S57-K90 WeakPolarHBondContact O-CE 3.41Å; S57-K90 PolarHBondContact O-NZ 2.53Å
58S93.6Very high95.6Very high106 Ų10683.8 Ų83.874%0.74145%0.45SS*.THydrogen-bonded Turntrans-78.5-19.9174.861.50000114H56H56-S58 PolarHBondContact O-N 2.79Å
59L97.2Very high95.8Very high76 Ų7680.9 Ų80.940%0.39844%0.435SS..  trans-63.9136.4-179.4-176.864.4000110.3L52 H56 Y61 K90L52-L59 HydrophobicContact CD1-CB 4.14Å; L52-L59 HydrophobicContact CD1-CD2 3.74Å; L52-L59 HydrophobicContact CD1-CG 4.44Å; H56-L59 HydrophobicContact CB-CB 4.4Å; H56-L59 VanDerWaalsContact O-CB 3.22Å; H56-L59 WeakPolarHBondContact O-CB 3.42Å; H56-L59 PolarHBondContact O-N 2.75Å; L59-Y61 HydrophobicContact CD2-CD2 4.35Å; L59-K90 WeakPolarHBondContact O-CE 3.34Å; L59-K90 PolarHBondContact O-NZ 2.89Å
60I97.8Very high96Very high58 Ų5875.7 Ų75.730%0.29741%0.409SS..  trans-109.395168.8-57.5172.3000105.5S62 N63 F84I60-S62 VanDerWaalsContact C-N 3.33Å; I60-S62 PolarHBondContact O-N 3.07Å; I60-N63 HydrophobicContact CB-CB 3.88Å; I60-N63 HydrophobicContact CG2-CB 3.66Å; I60-N63 VanDerWaalsContact O-CB 3.26Å; I60-N63 WeakPolarHBondContact O-CB 3.19Å; I60-N63 PolarHBondContact O-N 3.22Å; I60-N63 VanDerWaalsContact O-N 3.15Å; I60-F84 HydrophobicContact CG2-CB 3.99Å; I60-F84 HydrophobicContact CG2-CD1 4.12Å; I60-F84 HydrophobicContact CG2-CD2 3.39Å; I60-F84 HydrophobicContact CG2-CE1 4.49Å; I60-F84 HydrophobicContact CG2-CE2 3.88Å; I60-F84 HydrophobicContact CG2-CG 3.56Å; I60-F84 HydrophobicContact CG2-CZ 4.42Å
61Y98.1Very high96Very high116 Ų11675.3 Ų75.346%0.45541%0.414SS..THydrogen-bonded Turntrans-59.7-45.2-168.6-173.1-91.3000111.7L46 V47 V50 L59 N63 L89L46-Y61 WeakPolarHBondContact O-CE1 3.48Å; V47-Y61 HydrophobicContact CG1-CD1 3.87Å; V47-Y61 HydrophobicContact CG1-CE1 4.43Å; V50-Y61 HydrophobicContact CG1-CD2 3.93Å; V50-Y61 HydrophobicContact CG1-CE1 4.34Å; V50-Y61 HydrophobicContact CG1-CE2 3.73Å; V50-Y61 HydrophobicContact CG1-CG 4.32Å; V50-Y61 HydrophobicContact CG2-CE1 3.89Å; V50-Y61 HydrophobicContact CG2-CE2 4.32Å; L59-Y61 HydrophobicContact CD2-CD2 4.35Å; Y61-N63 VanDerWaalsContact C-N 3.31Å; Y61-N63 PolarHBondContact O-N 3.46Å; Y61-L89 HydrophobicContact CD1-CD1 4.18Å; Y61-L89 HydrophobicContact CD2-CD1 4.48Å; Y61-L89 HydrophobicContact CG-CD1 3.83Å
62S98Very high96.1Very high2 Ų269.7 Ų69.71%0.01440%0.398CS..THydrogen-bonded Turntrans-91.221.9-178.9-63.50000113.5N44 I60 L64 L65 F84N44-S62 PolarHBondContact ND2-OG 2.88Å; I60-S62 VanDerWaalsContact C-N 3.33Å; I60-S62 PolarHBondContact O-N 3.07Å; S62-L64 PolarHBondContact O-N 3.37Å; S62-L65 WeakPolarHBondContact O-CB 3.44Å; S62-L65 WeakPolarHBondContact O-CG 3.4Å; S62-L65 PolarHBondContact O-N 2.87Å; S62-F84 WeakPolarHBondContact O-CE2 3.43Å; S62-F84 WeakPolarHBondContact O-CZ 3.46Å
63N98.1Very high96.2Very high69 Ų6970.6 Ų70.637%0.36940%0.402SS..Hα-helixtrans-62.1-18.5-178.7-160.129.9000113.4I60 Y61 L65 C66 G67I60-N63 HydrophobicContact CB-CB 3.88Å; I60-N63 HydrophobicContact CG2-CB 3.66Å; I60-N63 VanDerWaalsContact O-CB 3.26Å; I60-N63 WeakPolarHBondContact O-CB 3.19Å; I60-N63 PolarHBondContact O-N 3.22Å; I60-N63 VanDerWaalsContact O-N 3.15Å; Y61-N63 VanDerWaalsContact C-N 3.31Å; Y61-N63 PolarHBondContact O-N 3.46Å; N63-L65 PolarHBondContact O-N 2.95Å; N63-C66 WeakPolarHBondContact O-CB 3.34Å; N63-C66 PolarHBondContact O-N 2.87Å; N63-C66 VanDerWaalsContact O-N 3.08Å; N63-G67 PolarHBondContact O-N 3.33Å
64L98.1Very high96.2Very high124 Ų12472.9 Ų72.965%0.64941%0.407SS*.Hα-helixtrans-50.1-39.6168.4179.265.9000111.5S62 C66 G67 V68S62-L64 PolarHBondContact O-N 3.37Å; L64-C66 VanDerWaalsContact C-N 3.32Å; L64-C66 PolarHBondContact O-N 3.17Å; L64-G67 WeakPolarHBondContact O-CA 3.32Å; L64-G67 PolarHBondContact O-N 3.06Å; L64-G67 VanDerWaalsContact O-N 3.07Å; L64-V68 HydrophobicContact CD1-CG2 4.39Å; L64-V68 HydrophobicContact CG-CG2 4.34Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.34Å
65L97.8Very high96.4Very high15 Ų1572.7 Ų72.78%0.07940%0.403CS..Hα-helixtrans-60.3-41.1178.9-61.8-178000111.9L21 L41 L46 S62 N63 G67 V68 L69 I97L21-L65 HydrophobicContact CD1-CD2 3.76Å; L41-L65 HydrophobicContact CD2-CD1 4.15Å; L46-L65 HydrophobicContact CD1-CD1 4.16Å; L46-L65 HydrophobicContact CD1-CD2 3.89Å; L46-L65 HydrophobicContact CD1-CG 4.03Å; S62-L65 WeakPolarHBondContact O-CB 3.44Å; S62-L65 WeakPolarHBondContact O-CG 3.4Å; S62-L65 PolarHBondContact O-N 2.87Å; N63-L65 PolarHBondContact O-N 2.95Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 2.84Å; L65-V68 PolarHBondContact O-N 2.96Å; L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 WeakPolarHBondContact O-CD1 3.41Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 2.82Å; L65-I97 HydrophobicContact CB-CD1 4Å; L65-I97 HydrophobicContact CD1-CD1 4.27Å
66C98.3Very high96.5Very high0 Ų070.6 Ų70.60%040%0.395CS..Hα-helixtrans-64.2-39.1175.3-66.10000111.6N63 L64 R70 A82 F84N63-C66 WeakPolarHBondContact O-CB 3.34Å; N63-C66 PolarHBondContact O-N 2.87Å; N63-C66 VanDerWaalsContact O-N 3.08Å; L64-C66 VanDerWaalsContact C-N 3.32Å; L64-C66 PolarHBondContact O-N 3.17Å; C66-R70 WeakPolarHBondContact O-CG 3.12Å; C66-R70 PolarHBondContact O-N 3.02Å; C66-R70 PolarHBondContact O-NH1 3.26Å; C66-A82 HydrophobicContact CB-CB 3.9Å; C66-A82 WeakPolarHBondContact CB-O 3.29Å; C66-F84 WeakPolarHBondContact SG-CD2 3.37Å; C66-F84 VanDerWaalsContact SG-CE2 3.51Å
67G98.2Very high96.5Very high29 Ų2970.8 Ų70.830%0.29940%0.396SS..Hα-helixtrans-61.6-48.2173.700000112.8N63 L64 L65 L69 R70 G71N63-G67 PolarHBondContact O-N 3.33Å; L64-G67 WeakPolarHBondContact O-CA 3.32Å; L64-G67 PolarHBondContact O-N 3.06Å; L64-G67 VanDerWaalsContact O-N 3.07Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 2.84Å; G67-L69 PolarHBondContact O-N 2.97Å; G67-R70 PolarHBondContact O-N 2.83Å; G67-G71 PolarHBondContact O-N 2.86Å
68V98.1Very high96.9Very high87 Ų8769.8 Ų69.853%0.52738%0.382SS..Hα-helixtrans-61-45.1178.1171.40000111.1L64 L65 G71 A72L64-V68 HydrophobicContact CD1-CG2 4.39Å; L64-V68 HydrophobicContact CG-CG2 4.34Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.34Å; L65-V68 PolarHBondContact O-N 2.96Å; V68-G71 PolarHBondContact O-N 2.92Å; V68-A72 WeakPolarHBondContact O-CB 3.18Å; V68-A72 PolarHBondContact O-N 3.04Å
69L97.4Very high97Very high29 Ų2965.6 Ų65.615%0.15235%0.354CS..Hα-helixtrans-61.4-46.2178.5-72.7165.7000111.8F17 L39 L65 G67 L73 A82 I97 M99F17-L69 HydrophobicContact CE2-CD2 4.11Å; F17-L69 HydrophobicContact CZ-CD1 4.4Å; F17-L69 HydrophobicContact CZ-CD2 4.32Å; L39-L69 HydrophobicContact CD1-CD1 4.09Å; L39-L69 HydrophobicContact CD1-CD2 4.49Å; L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 WeakPolarHBondContact O-CD1 3.41Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 2.82Å; G67-L69 PolarHBondContact O-N 2.97Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CD1 3.35Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.46Å; L69-L73 PolarHBondContact O-N 3.21Å; L69-L73 VanDerWaalsContact O-N 3.12Å; L69-A82 HydrophobicContact CB-CB 4.24Å; L69-A82 HydrophobicContact CD1-CB 4.47Å; L69-I97 HydrophobicContact CD1-CD1 4.3Å; L69-I97 HydrophobicContact CD1-CG2 4.16Å; L69-M99 HydrophobicContact CB-CE 4.11Å; L69-M99 HydrophobicContact CB-SD 4.39Å; L69-M99 HydrophobicContact CD1-CE 4.5Å; L69-M99 HydrophobicContact CD1-SD 3.84Å
70R98.1Very high97.1Very high92 Ų9263 Ų6335%0.34734%0.341SS..Hα-helixtrans-62.1-53.1177-71.5-172.6-53-95.1-1.1111.4C66 G67 A72 L73 E74 V80 A82C66-R70 WeakPolarHBondContact O-CG 3.12Å; C66-R70 PolarHBondContact O-N 3.02Å; C66-R70 PolarHBondContact O-NH1 3.26Å; G67-R70 PolarHBondContact O-N 2.83Å; R70-A72 PolarHBondContact O-N 2.6Å; R70-L73 PolarHBondContact O-N 3.39Å; R70-E74 VanDerWaalsContact O-CB 3.32Å; R70-E74 WeakPolarHBondContact O-CB 3.35Å; R70-E74 PolarHBondContact O-N 3.19Å; R70-V80 HydrophobicContact CG-CG2 4.19Å; R70-A82 HydrophobicContact CG-CB 4.06Å; R70-A82 PolarHBondContact NH1-O 3.04Å; R70-A82 VanDerWaalsContact NH1-O 3.15Å
71G97.4Very high97.1Very high33 Ų3363.1 Ų63.134%0.3434%0.34SS..Hα-helixtrans-61.4-43-178.200000112.5G67 V68 L73 E74 M75G67-G71 PolarHBondContact O-N 2.86Å; V68-G71 PolarHBondContact O-N 2.92Å; G71-L73 VanDerWaalsContact C-N 3.35Å; G71-L73 PolarHBondContact O-N 2.92Å; G71-E74 PolarHBondContact O-N 2.94Å; G71-M75 WeakPolarHBondContact O-CG 3.43Å; G71-M75 PolarHBondContact O-N 3.05Å; G71-M75 VanDerWaalsContact O-N 3.11Å
72A96.1Very high97.1Very high60 Ų6057.8 Ų57.850%0.49632%0.32SS..Hα-helixtrans-63.9-39.1178.400000112.6V68 R70V68-A72 WeakPolarHBondContact O-CB 3.18Å; V68-A72 PolarHBondContact O-N 3.04Å; R70-A72 PolarHBondContact O-N 2.6Å
73L95.9Very high97.2Very high46 Ų4661.7 Ų61.724%0.24134%0.337CS..Hα-helixtrans-76.1-31.9178.6-70.4167.1000112L69 R70 G71 M75 V76 Q77 M78 V80 M99L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CD1 3.35Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.46Å; L69-L73 PolarHBondContact O-N 3.21Å; L69-L73 VanDerWaalsContact O-N 3.12Å; R70-L73 PolarHBondContact O-N 3.39Å; G71-L73 VanDerWaalsContact C-N 3.35Å; G71-L73 PolarHBondContact O-N 2.92Å; L73-M75 VanDerWaalsContact C-N 3.34Å; L73-M75 PolarHBondContact O-N 3.08Å; L73-V76 HydrophobicContact CD2-CG2 4.39Å; L73-V76 CarbonylContact O-C 3.47Å; L73-V76 WeakPolarHBondContact O-CG2 3.41Å; L73-V76 PolarHBondContact O-N 3.38Å; L73-V76 VanDerWaalsContact O-N 3.15Å; L73-Q77 PolarHBondContact O-N 3.11Å; L73-M78 CarbonylContact C-O 3.55Å; L73-M78 HydrophobicContact CB-CB 4.27Å; L73-M78 HydrophobicContact CD2-CE 3.42Å; L73-M78 VanDerWaalsContact CD2-CE 3.42Å; L73-M78 WeakPolarHBondContact O-CA 3.41Å; L73-M78 WeakPolarHBondContact O-CB 3.25Å; L73-M78 PolarHBondContact O-N 3.15Å; L73-V80 HydrophobicContact CB-CG1 4.27Å; L73-V80 HydrophobicContact CB-CG2 3.97Å; L73-V80 HydrophobicContact CD1-CB 4.41Å; L73-V80 HydrophobicContact CD1-CG1 4.03Å; L73-V80 HydrophobicContact CD1-CG2 3.66Å; L73-V80 HydrophobicContact CG-CG2 4.44Å; L73-M99 HydrophobicContact CD1-CE 3.68Å
74E96.3Very high97.2Very high120 Ų12059.7 Ų59.756%0.56133%0.325SS*.Hα-helixtrans-61.6-41.4172.9-173.1173.6157.500111.7R70 G71 V76 Q77 M78 I105R70-E74 VanDerWaalsContact O-CB 3.32Å; R70-E74 WeakPolarHBondContact O-CB 3.35Å; R70-E74 PolarHBondContact O-N 3.19Å; G71-E74 PolarHBondContact O-N 2.94Å; E74-V76 PolarHBondContact O-N 3.03Å; E74-V76 VanDerWaalsContact O-N 3.1Å; E74-Q77 PolarHBondContact O-N 3.38Å; E74-M78 PolarHBondContact N-O 3.24Å; E74-I105 HydrophobicContact CB-CD1 4.48Å; E74-I105 HydrophobicContact CG-CD1 3.73Å
75M94.9Very high97.2Very high162 Ų16257.6 Ų57.680%0.79832%0.317SS*.THydrogen-bonded Turntrans-63.3-15.3175.9-67.9-56.3-60.400114.3G71 L73G71-M75 WeakPolarHBondContact O-CG 3.43Å; G71-M75 PolarHBondContact O-N 3.05Å; G71-M75 VanDerWaalsContact O-N 3.11Å; L73-M75 VanDerWaalsContact C-N 3.34Å; L73-M75 PolarHBondContact O-N 3.08Å
76V94.6Very high97.2Very high84 Ų8459.9 Ų59.951%0.50933%0.327SS..THydrogen-bonded Turntrans-114.331.8172.8-63.10000111.2L73 E74 M78L73-V76 HydrophobicContact CD2-CG2 4.39Å; L73-V76 CarbonylContact O-C 3.47Å; L73-V76 WeakPolarHBondContact O-CG2 3.41Å; L73-V76 PolarHBondContact O-N 3.38Å; L73-V76 VanDerWaalsContact O-N 3.15Å; E74-V76 PolarHBondContact O-N 3.03Å; E74-V76 VanDerWaalsContact O-N 3.1Å; V76-M78 VanDerWaalsContact C-N 3.27Å; V76-M78 HydrophobicContact CG2-CE 3.47Å; V76-M78 VanDerWaalsContact CG2-CE 3.47Å; V76-M78 PolarHBondContact O-N 2.89Å
77Q94.3Very high97.1Very high93 Ų9360 Ų6044%0.43533%0.328SS..THydrogen-bonded Turntrans61.929170.8-59156.8-39.200114.1L73 E74 R104 I105 D107L73-Q77 PolarHBondContact O-N 3.11Å; E74-Q77 PolarHBondContact O-N 3.38Å; Q77-R104 WeakPolarHBondContact O-CA 3.45Å; Q77-I105 HydrophobicContact CB-CB 4.27Å; Q77-I105 PolarHBondContact O-N 2.83Å; Q77-D107 PolarHBondContact NE2-OD2 3.15Å
78M96.2Very high97.1Very high65 Ų6561.1 Ų61.132%0.3233%0.329SS..EExtended strand (participates in β ladder)trans-116.5107.9174.6-68.1-173.9-75.600110.2L73 E74 V76 V80 F101L73-M78 CarbonylContact C-O 3.55Å; L73-M78 HydrophobicContact CB-CB 4.27Å; L73-M78 HydrophobicContact CD2-CE 3.42Å; L73-M78 VanDerWaalsContact CD2-CE 3.42Å; L73-M78 WeakPolarHBondContact O-CA 3.41Å; L73-M78 WeakPolarHBondContact O-CB 3.25Å; L73-M78 PolarHBondContact O-N 3.15Å; E74-M78 PolarHBondContact N-O 3.24Å; V76-M78 VanDerWaalsContact C-N 3.27Å; V76-M78 HydrophobicContact CG2-CE 3.47Å; V76-M78 VanDerWaalsContact CG2-CE 3.47Å; V76-M78 PolarHBondContact O-N 2.89Å; M78-V80 HydrophobicContact CB-CG1 4.29Å; M78-V80 PolarHBondContact O-N 2.6Å; M78-F101 HydrophobicContact CG-CE2 4.46Å
79A97.3Very high96.9Very high18 Ų1858.4 Ų58.415%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-76.2120.9168.900000108.6I102 R103 I105A79-I102 HydrophobicContact CB-CB 4.31Å; A79-I102 WeakPolarHBondContact O-CB 3.4Å; A79-I102 PolarHBondContact O-N 3.49Å; A79-R103 HydrophobicContact CB-CG 3.82Å; A79-R103 WeakPolarHBondContact CB-O 3.44Å; A79-R103 PolarHBondContact N-O 2.86Å; A79-R103 PolarHBondContact O-N 3.46Å; A79-I105 HydrophobicContact CB-CD1 4.19Å; A79-I105 HydrophobicContact CB-CG1 3.99Å
80V98.2Very high96.8Very high20 Ų2061.2 Ų61.212%0.12132%0.323CS..EExtended strand (participates in β ladder)trans-133.6158.1-179.9-54.70000111.1R70 L73 M78 M99 R100 F101R70-V80 HydrophobicContact CG-CG2 4.19Å; L73-V80 HydrophobicContact CB-CG1 4.27Å; L73-V80 HydrophobicContact CB-CG2 3.97Å; L73-V80 HydrophobicContact CD1-CB 4.41Å; L73-V80 HydrophobicContact CD1-CG1 4.03Å; L73-V80 HydrophobicContact CD1-CG2 3.66Å; L73-V80 HydrophobicContact CG-CG2 4.44Å; M78-V80 HydrophobicContact CB-CG1 4.29Å; M78-V80 PolarHBondContact O-N 2.6Å; V80-M99 HydrophobicContact CG2-CE 4.13Å; V80-R100 CarbonylContact C-O 3.18Å; V80-R100 WeakPolarHBondContact CA-O 2.89Å; V80-R100 WeakPolarHBondContact CB-O 3.22Å; V80-F101 HydrophobicContact CG1-CD2 4.49Å
81E98.5Very high96.6Very high61 Ų6160.1 Ų60.129%0.28534%0.34SS..EExtended strand (participates in β ladder)trans-104.4140162.6-173.8-177.9166.400109.3M99 R100 I102E81-M99 WeakPolarHBondContact O-CA 3.33Å; E81-R100 HydrophobicContact CB-CB 4.28Å; E81-R100 VanDerWaalsContact CD-NH2 3.35Å; E81-R100 PolarHBondContact N-O 2.88Å; E81-R100 PolarHBondContact O-N 3.38Å; E81-R100 IonicContact OE1-NH2 3.38Å; E81-R100 PolarHBondContact OE1-NH2 3.3Å; E81-R100 IonicContact OE2-CZ 2.98Å; E81-R100 IonicContact OE2-NE 2.84Å; E81-R100 PolarHBondContact OE2-NE 2.82Å; E81-R100 IonicContact OE2-NH2 3.34Å; E81-R100 PolarHBondContact OE2-NH2 2.96Å; E81-I102 HydrophobicContact CB-CD1 4.22Å
82A98.4Very high96.6Very high4 Ų461.5 Ų61.53%0.03334%0.34CS..EExtended strand (participates in β ladder)trans-131.6124.3171.900000107.5C66 L69 R70 I97 R98 M99C66-A82 HydrophobicContact CB-CB 3.9Å; C66-A82 WeakPolarHBondContact CB-O 3.29Å; L69-A82 HydrophobicContact CB-CB 4.24Å; L69-A82 HydrophobicContact CD1-CB 4.47Å; R70-A82 HydrophobicContact CG-CB 4.06Å; R70-A82 PolarHBondContact NH1-O 3.04Å; R70-A82 VanDerWaalsContact NH1-O 3.15Å; A82-I97 HydrophobicContact CB-CG2 4.25Å; A82-R98 WeakPolarHBondContact CA-O 3.44Å; A82-M99 HydrophobicContact CB-CE 4.16Å; A82-M99 HydrophobicContact CB-SD 3.51Å; A82-M99 VanDerWaalsContact CB-SD 3.51Å
83K98.4Very high96.5Very high84 Ų8462.2 Ų62.237%0.36535%0.353SS..EExtended strand (participates in β ladder)trans-141145.5-17965.7-178.3178.9-173.10111.6V85 I97 R98K83-V85 HydrophobicContact CG-CG2 4.4Å; K83-I97 CarbonylContact O-C 3.56Å; K83-I97 WeakPolarHBondContact O-CA 3.44Å; K83-R98 HydrophobicContact CG-CB 3.95Å; K83-R98 PolarHBondContact N-O 3.1Å; K83-R98 PolarHBondContact O-N 3.12Å
84F98.3Very high96.6Very high28 Ų2861.9 Ų61.912%0.12335%0.352CS..EExtended strand (participates in β ladder)trans-70.6136.1168.2-82.3-107.7000109.8I60 S62 C66 D87 T95 E96 I97I60-F84 HydrophobicContact CG2-CB 3.99Å; I60-F84 HydrophobicContact CG2-CD1 4.12Å; I60-F84 HydrophobicContact CG2-CD2 3.39Å; I60-F84 HydrophobicContact CG2-CE1 4.49Å; I60-F84 HydrophobicContact CG2-CE2 3.88Å; I60-F84 HydrophobicContact CG2-CG 3.56Å; I60-F84 HydrophobicContact CG2-CZ 4.42Å; S62-F84 WeakPolarHBondContact O-CE2 3.43Å; S62-F84 WeakPolarHBondContact O-CZ 3.46Å; C66-F84 WeakPolarHBondContact SG-CD2 3.37Å; C66-F84 VanDerWaalsContact SG-CE2 3.51Å; F84-D87 HydrophobicContact CD1-CB 4.32Å; F84-T95 HydrophobicContact CD1-CG2 4.14Å; F84-T95 HydrophobicContact CE1-CG2 3.48Å; F84-T95 VanDerWaalsContact CE1-CG2 3.48Å; F84-T95 HydrophobicContact CZ-CG2 4.28Å; F84-E96 WeakPolarHBondContact CA-O 3.47Å; F84-I97 HydrophobicContact CD2-CG1 4.25Å; F84-I97 HydrophobicContact CE1-CG1 4.31Å; F84-I97 HydrophobicContact CE2-CD1 4Å; F84-I97 HydrophobicContact CE2-CG1 3.98Å; F84-I97 HydrophobicContact CZ-CD1 3.96Å; F84-I97 HydrophobicContact CZ-CG1 4Å
85V97.9Very high96.7Very high80 Ų8056.2 Ų56.249%0.48533%0.326SS..EExtended strand (participates in β ladder)trans-115.3-33.4171.8-178.40000110.7K83 E96 R98K83-V85 HydrophobicContact CG-CG2 4.4Å; V85-E96 HydrophobicContact CB-CB 4.5Å; V85-E96 HydrophobicContact CB-CG 4.19Å; V85-E96 PolarHBondContact N-O 2.79Å; V85-R98 HydrophobicContact CG2-CB 3.49Å; V85-R98 VanDerWaalsContact CG2-CB 3.49Å; V85-R98 HydrophobicContact CG2-CG 4.44Å
86Q97.9Very high96.8Very high62 Ų6249.3 Ų49.329%0.2929%0.292SS..EExtended strand (participates in β ladder)trans-134.3145.5173.4-56.7-164.4-83.300110.1D92 V94 T95 E96Q86-D92 WeakPolarHBondContact CA-OD2 3.11Å; Q86-D92 HydrophobicContact CB-CB 3.84Å; Q86-V94 CarbonylContact C-O 3.15Å; Q86-V94 VanDerWaalsContact CB-O 3.3Å; Q86-V94 WeakPolarHBondContact CB-O 3.37Å; Q86-T95 WeakPolarHBondContact O-CA 3.26Å; Q86-E96 HydrophobicContact CB-CB 3.85Å; Q86-E96 HydrophobicContact CG-CB 4.09Å; Q86-E96 PolarHBondContact O-N 3.35Å; Q86-E96 PolarHBondContact OE1-OE2 3.44Å
87D97.4Very high97Very high4 Ų445.3 Ų45.32%0.02127%0.268CS..  trans-143.3120.2-179.3-168.1-11.6000110.7F84 L89 K90 G91 D92F84-D87 HydrophobicContact CD1-CB 4.32Å; D87-L89 PolarHBondContact O-N 2.71Å; D87-L89 PolarHBondContact OD1-N 2.98Å; D87-L89 VanDerWaalsContact OD1-N 3.12Å; D87-K90 HydrophobicContact CB-CB 4.31Å; D87-K90 HydrophobicContact CB-CD 4.16Å; D87-K90 HydrophobicContact CB-CG 3.99Å; D87-K90 WeakPolarHBondContact O-CA 3.47Å; D87-K90 WeakPolarHBondContact O-CB 3.28Å; D87-K90 PolarHBondContact O-N 3.08Å; D87-G91 PolarHBondContact O-N 2.98Å; D87-D92 PolarHBondContact N-OD2 3.43Å; D87-D92 WeakPolarHBondContact O-CB 3.47Å; D87-D92 PolarHBondContact O-N 2.94Å
88T96.7Very high97.2Very high52 Ų5242.8 Ų42.832%0.31925%0.254SS..G310 helixtrans-60.7-28.9179.255.30000112.4K90 G91 D92T88-K90 PolarHBondContact O-N 2.9Å; T88-G91 PolarHBondContact O-N 2.99Å; T88-G91 VanDerWaalsContact O-N 3.1Å; T88-D92 WeakPolarHBondContact CA-O 3.35Å
89L95.8Very high97.3Very high30 Ų3040 Ų4016%0.15724%0.24CC..G310 helixtrans-67.7-14.2173.6-73.2-176000113.7V47 V50 Y61 D87V47-L89 HydrophobicContact CB-CD1 3.89Å; V47-L89 HydrophobicContact CB-CD2 3.99Å; V47-L89 HydrophobicContact CB-CG 3.86Å; V47-L89 HydrophobicContact CG1-CD1 3.48Å; V47-L89 VanDerWaalsContact CG1-CD1 3.48Å; V47-L89 HydrophobicContact CG1-CD2 4.5Å; V47-L89 HydrophobicContact CG1-CG 3.87Å; V47-L89 HydrophobicContact CG2-CG 4.36Å; V50-L89 HydrophobicContact CB-CD1 4.26Å; V50-L89 HydrophobicContact CB-CD2 4.1Å; V50-L89 HydrophobicContact CG1-CD1 3.76Å; V50-L89 HydrophobicContact CG1-CD2 4.12Å; V50-L89 WeakPolarHBondContact O-CD2 3.42Å; Y61-L89 HydrophobicContact CD1-CD1 4.18Å; Y61-L89 HydrophobicContact CD2-CD1 4.48Å; Y61-L89 HydrophobicContact CG-CD1 3.83Å; D87-L89 PolarHBondContact O-N 2.71Å; D87-L89 PolarHBondContact OD1-N 2.98Å; D87-L89 VanDerWaalsContact OD1-N 3.12Å
90K95.3Very high97.4Very high87 Ų8743 Ų4338%0.37825%0.248SC..G310 helixtrans-103.88.4175.6-56.9-171.7-173.8-156.60112.5S57 L59 D87 T88S57-K90 WeakPolarHBondContact O-CE 3.41Å; S57-K90 PolarHBondContact O-NZ 2.53Å; L59-K90 WeakPolarHBondContact O-CE 3.34Å; L59-K90 PolarHBondContact O-NZ 2.89Å; D87-K90 HydrophobicContact CB-CB 4.31Å; D87-K90 HydrophobicContact CB-CD 4.16Å; D87-K90 HydrophobicContact CB-CG 3.99Å; D87-K90 WeakPolarHBondContact O-CA 3.47Å; D87-K90 WeakPolarHBondContact O-CB 3.28Å; D87-K90 PolarHBondContact O-N 3.08Å; T88-K90 PolarHBondContact O-N 2.9Å
91G93.8Very high97.4Very high70 Ų7046 Ų4672%0.72226%0.259SS*.THydrogen-bonded Turntrans89.37.6179.100000114.9D87 T88D87-G91 PolarHBondContact O-N 2.98Å; T88-G91 PolarHBondContact O-N 2.99Å; T88-G91 VanDerWaalsContact O-N 3.1Å
92D95.9Very high97.3Very high62 Ų6247.8 Ų47.833%0.33227%0.27SS..  trans-71.8158.1172-67.2-60.9000111.9Q86 D87 T88 V94Q86-D92 WeakPolarHBondContact CA-OD2 3.11Å; Q86-D92 HydrophobicContact CB-CB 3.84Å; D87-D92 PolarHBondContact N-OD2 3.43Å; D87-D92 WeakPolarHBondContact O-CB 3.47Å; D87-D92 PolarHBondContact O-N 2.94Å; T88-D92 WeakPolarHBondContact CA-O 3.35Å; D92-V94 VanDerWaalsContact C-N 3.33Å; D92-V94 PolarHBondContact O-N 2.84Å
93G95.3Very high97.2Very high74 Ų7454.2 Ų54.276%0.76329%0.293SS*.SBendtrans-72.7-22.5-178.500000114.9
94V96.8Very high97.1Very high39 Ų3959.4 Ų59.424%0.23631%0.311CS..SBendtrans-148.2161.8179.9-66.80000109.9I40 Q86 D92I40-V94 HydrophobicContact CG2-CB 3.95Å; I40-V94 HydrophobicContact CG2-CG1 4.11Å; I40-V94 HydrophobicContact CG2-CG2 3.97Å; Q86-V94 CarbonylContact C-O 3.15Å; Q86-V94 VanDerWaalsContact CB-O 3.3Å; Q86-V94 WeakPolarHBondContact CB-O 3.37Å; D92-V94 VanDerWaalsContact C-N 3.33Å; D92-V94 PolarHBondContact O-N 2.84Å
95T98.2Very high96.9Very high1 Ų160.1 Ų60.11%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-87.8122.3165.1-70.50000109.1L41 F84 Q86L41-T95 HydrophobicContact CB-CG2 4.12Å; L41-T95 HydrophobicContact CD2-CG2 4.35Å; L41-T95 PolarHBondContact N-O 2.92Å; L41-T95 PolarHBondContact O-N 2.93Å; F84-T95 HydrophobicContact CD1-CG2 4.14Å; F84-T95 HydrophobicContact CE1-CG2 3.48Å; F84-T95 VanDerWaalsContact CE1-CG2 3.48Å; F84-T95 HydrophobicContact CZ-CG2 4.28Å; Q86-T95 WeakPolarHBondContact O-CA 3.26Å
96E98.4Very high96.5Very high17 Ų1764.2 Ų64.28%0.07933%0.329CS..EExtended strand (participates in β ladder)trans-119.1125.1177.2176.9175.9177.100110.9S38 L39 I40 F84 V85 Q86S38-E96 WeakPolarHBondContact CB-OE1 3.48Å; S38-E96 PolarHBondContact OG-OE1 3.38Å; L39-E96 WeakPolarHBondContact O-CA 3.39Å; I40-E96 HydrophobicContact CD1-CB 3.92Å; I40-E96 HydrophobicContact CD1-CG 3.71Å; F84-E96 WeakPolarHBondContact CA-O 3.47Å; V85-E96 HydrophobicContact CB-CB 4.5Å; V85-E96 HydrophobicContact CB-CG 4.19Å; V85-E96 PolarHBondContact N-O 2.79Å; Q86-E96 HydrophobicContact CB-CB 3.85Å; Q86-E96 HydrophobicContact CG-CB 4.09Å; Q86-E96 PolarHBondContact O-N 3.35Å; Q86-E96 PolarHBondContact OE1-OE2 3.44Å
97I98.5Very high95.4Very high0 Ų066.6 Ų66.60%034%0.344CS..EExtended strand (participates in β ladder)trans-109.1115.5168.8-58.5173.6000108.7L39 L41 L65 L69 A82 K83 F84 M99L39-I97 HydrophobicContact CB-CB 4.34Å; L39-I97 PolarHBondContact N-O 3.21Å; L39-I97 PolarHBondContact O-N 3.35Å; L41-I97 HydrophobicContact CD1-CD1 4.45Å; L65-I97 HydrophobicContact CB-CD1 4Å; L65-I97 HydrophobicContact CD1-CD1 4.27Å; L69-I97 HydrophobicContact CD1-CD1 4.3Å; L69-I97 HydrophobicContact CD1-CG2 4.16Å; A82-I97 HydrophobicContact CB-CG2 4.25Å; K83-I97 CarbonylContact O-C 3.56Å; K83-I97 WeakPolarHBondContact O-CA 3.44Å; F84-I97 HydrophobicContact CD2-CG1 4.25Å; F84-I97 HydrophobicContact CE1-CG1 4.31Å; F84-I97 HydrophobicContact CE2-CD1 4Å; F84-I97 HydrophobicContact CE2-CG1 3.98Å; F84-I97 HydrophobicContact CZ-CD1 3.96Å; F84-I97 HydrophobicContact CZ-CG1 4Å; I97-M99 HydrophobicContact CG2-SD 4.03Å
98R98.6Very high93.8Very high40 Ų4073.8 Ų73.815%0.15138%0.382CS..EExtended strand (participates in β ladder)trans-81.2123172.1-173.970.7173.9178.81.7109.8N29 E36 S38 A82 K83 V85N29-R98 PolarHBondContact O-NH1 3.5Å; N29-R98 PolarHBondContact O-NH2 3.25Å; E36-R98 VanDerWaalsContact CB-NH2 3.3Å; E36-R98 IonicContact OE2-CZ 3.11Å; E36-R98 IonicContact OE2-NE 3.7Å; E36-R98 PolarHBondContact OE2-NE 3.22Å; E36-R98 IonicContact OE2-NH2 3.7Å; E36-R98 PolarHBondContact OE2-NH2 2.81Å; S38-R98 WeakPolarHBondContact OG-CD 3.3Å; S38-R98 PolarHBondContact OG-NH1 2.87Å; A82-R98 WeakPolarHBondContact CA-O 3.44Å; K83-R98 HydrophobicContact CG-CB 3.95Å; K83-R98 PolarHBondContact N-O 3.1Å; K83-R98 PolarHBondContact O-N 3.12Å; V85-R98 HydrophobicContact CG2-CB 3.49Å; V85-R98 VanDerWaalsContact CG2-CB 3.49Å; V85-R98 HydrophobicContact CG2-CG 4.44Å
99M98.4Very high92.4Very high6 Ų678.5 Ų78.53%0.0341%0.405CS..EExtended strand (participates in β ladder)trans-102.7132.9175.2-62.8-61.1-65.500109.2E36 F37 L39 L69 L73 V80 E81 A82 I97E36-M99 CarbonylContact C-O 3.6Å; E36-M99 WeakPolarHBondContact CA-O 3.31Å; E36-M99 WeakPolarHBondContact CB-O 3.1Å; F37-M99 HydrophobicContact CD1-CB 4.11Å; F37-M99 HydrophobicContact CD2-CB 4.07Å; F37-M99 HydrophobicContact CD2-CG 4.26Å; F37-M99 HydrophobicContact CE1-CB 3.74Å; F37-M99 HydrophobicContact CE1-CG 4.41Å; F37-M99 HydrophobicContact CE2-CB 3.72Å; F37-M99 HydrophobicContact CE2-CG 3.61Å; F37-M99 HydrophobicContact CG-CB 4.27Å; F37-M99 HydrophobicContact CZ-CB 3.53Å; F37-M99 HydrophobicContact CZ-CG 3.7Å; F37-M99 PolarHBondContact N-O 2.87Å; F37-M99 PolarHBondContact O-N 3.42Å; L39-M99 HydrophobicContact CD1-CG 3.88Å; L39-M99 HydrophobicContact CD1-SD 4.25Å; L39-M99 HydrophobicContact CG-CG 4.11Å; L69-M99 HydrophobicContact CB-CE 4.11Å; L69-M99 HydrophobicContact CB-SD 4.39Å; L69-M99 HydrophobicContact CD1-CE 4.5Å; L69-M99 HydrophobicContact CD1-SD 3.84Å; L73-M99 HydrophobicContact CD1-CE 3.68Å; V80-M99 HydrophobicContact CG2-CE 4.13Å; E81-M99 WeakPolarHBondContact O-CA 3.33Å; A82-M99 HydrophobicContact CB-CE 4.16Å; A82-M99 HydrophobicContact CB-SD 3.51Å; A82-M99 VanDerWaalsContact CB-SD 3.51Å; I97-M99 HydrophobicContact CG2-SD 4.03Å
100R98.4Very high91Very high82 Ų8282.5 Ų82.531%0.30943%0.433SS..EExtended strand (participates in β ladder)trans-131.2125.5173.2164.4169.141.4-159.910.2109.9D35 E36 V80 E81D35-R100 CarbonylContact O-C 3.54Å; D35-R100 WeakPolarHBondContact O-CA 3.44Å; E36-R100 HydrophobicContact CG-CB 3.77Å; E36-R100 HydrophobicContact CG-CG 3.92Å; E36-R100 VanDerWaalsContact OE1-CD 3.25Å; E36-R100 WeakPolarHBondContact OE1-CD 3.38Å; E36-R100 IonicContact OE1-CZ 3.1Å; E36-R100 IonicContact OE1-NE 2.86Å; E36-R100 IonicContact OE1-NH1 2.6Å; E36-R100 PolarHBondContact OE1-NH1 3.25Å; E36-R100 VanDerWaalsContact OE1-NH1 3.11Å; V80-R100 CarbonylContact C-O 3.18Å; V80-R100 WeakPolarHBondContact CA-O 2.89Å; V80-R100 WeakPolarHBondContact CB-O 3.22Å; E81-R100 HydrophobicContact CB-CB 4.28Å; E81-R100 VanDerWaalsContact CD-NH2 3.35Å; E81-R100 PolarHBondContact N-O 2.88Å; E81-R100 PolarHBondContact O-N 3.38Å; E81-R100 IonicContact OE1-NH2 3.38Å; E81-R100 PolarHBondContact OE1-NH2 3.3Å; E81-R100 IonicContact OE2-CZ 2.98Å; E81-R100 IonicContact OE2-NE 2.84Å; E81-R100 PolarHBondContact OE2-NE 2.82Å; E81-R100 IonicContact OE2-NH2 3.34Å; E81-R100 PolarHBondContact OE2-NH2 2.96Å
101F97.8Very high89.5Confident83 Ų8383.9 Ų83.936%0.36446%0.46SS..EExtended strand (participates in β ladder)trans-72.9129.9167.3175.8-103.4000109.7D35 M78 V80 R103 R104D35-F101 HydrophobicContact CB-CB 4.45Å; D35-F101 WeakPolarHBondContact O-CB 3.34Å; D35-F101 PolarHBondContact O-N 2.84Å; M78-F101 HydrophobicContact CG-CE2 4.46Å; V80-F101 HydrophobicContact CG1-CD2 4.49Å; F101-R103 VanDerWaalsContact CE2-C 3.46Å; F101-R103 WeakPolarHBondContact CE2-O 3.37Å; F101-R104 HydrophobicContact CE2-CG 4.29Å; F101-R104 HydrophobicContact CZ-CG 3.95Å
102I97.4Very high88.2Confident98 Ų9883.7 Ų83.750%0.50346%0.458SS..EExtended strand (participates in β ladder)trans-100.8-57179.4-56.9172.3000109.3A79 E81A79-I102 HydrophobicContact CB-CB 4.31Å; A79-I102 WeakPolarHBondContact O-CB 3.4Å; A79-I102 PolarHBondContact O-N 3.49Å; E81-I102 HydrophobicContact CB-CD1 4.22Å
103R96.8Very high86.2Confident139 Ų13990.3 Ų90.353%0.52549%0.487SS..EExtended strand (participates in β ladder)trans-166.3164.9-178.560.2179.9-179.282.80.3111.2A79 F101A79-R103 HydrophobicContact CB-CG 3.82Å; A79-R103 WeakPolarHBondContact CB-O 3.44Å; A79-R103 PolarHBondContact N-O 2.86Å; A79-R103 PolarHBondContact O-N 3.46Å; F101-R103 VanDerWaalsContact CE2-C 3.46Å; F101-R103 WeakPolarHBondContact CE2-O 3.37Å
104R95.8Very high84.1Confident194 Ų19499.7 Ų99.773%0.73251%0.511SS*.EExtended strand (participates in β ladder)trans-76.8145.2160.7-68-168.4176.1-177.5-2109.6Q77 F101Q77-R104 WeakPolarHBondContact O-CA 3.45Å; F101-R104 HydrophobicContact CE2-CG 4.29Å; F101-R104 HydrophobicContact CZ-CG 3.95Å
105I94.7Very high83.4Confident42 Ų42102.8 Ų102.822%0.21553%0.525CS..PPolyproline II helixtrans-91.5126.5173.3-55.8172.6000106.2E74 Q77 A79E74-I105 HydrophobicContact CB-CD1 4.48Å; E74-I105 HydrophobicContact CG-CD1 3.73Å; Q77-I105 HydrophobicContact CB-CB 4.27Å; Q77-I105 PolarHBondContact O-N 2.83Å; A79-I105 HydrophobicContact CB-CD1 4.19Å; A79-I105 HydrophobicContact CB-CG1 3.99Å
106E88.8Confident82.6Confident167 Ų167108.1 Ų108.178%0.7855%0.552SS**PPolyproline II helixtrans-96.3128176.3-65.9178.3178.200108.3N108E106-N108 PolarHBondContact O-N 3.03Å
107D75.3Confident81.8Confident111 Ų111113.2 Ų113.259%0.59458%0.578SS**  trans-75.9103173.2-69.3-22.7000108.2Q77 L109Q77-D107 PolarHBondContact NE2-OD2 3.15Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 2.87Å
108N63.9Low80.8Confident155 Ų155119.8 Ų119.883%0.82961%0.612SS**  trans-79.486.3171.9-14050.5000107.7E106 P110E106-N108 PolarHBondContact O-N 3.03Å; N108-P110 WeakPolarHBondContact O-CD 3.3Å
109L67Low79.7Confident151 Ų151124.8 Ų124.879%0.79164%0.641SS**  trans-60.4123.9168.2-70168.7000107.5D107 A111D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 2.87Å; L109-A111 PolarHBondContact O-N 2.95Å
110P67Low78.4Confident115 Ų115132.7 Ų132.775%0.74768%0.682SS**  trans-58.9132.6173.123.5-30.4000108.6N108 G112N108-P110 WeakPolarHBondContact O-CD 3.3Å; P110-G112 PolarHBondContact O-N 3.34Å
111A62.5Low77Confident115 Ų115136.4 Ų136.495%0.9571%0.709SS**SBendtrans-63.7102.4176.300000109.1L109L109-A111 PolarHBondContact O-N 2.95Å
112G66.1Low75.4Confident66 Ų66140.5 Ų140.568%0.6874%0.735SS**  trans137.475.4167.900000114.7P110P110-G112 PolarHBondContact O-N 3.34Å
113E54.7Low73.6Confident201 Ų201144 Ų14494%0.93975%0.754SS**  trans-139.382.6140.4-70.8-166.9177.500106.6
114E50.4Low71.5Confident272 Ų272144.5 Ų144.5100%1.27178%0.775SS**  trans-89.10152.6-78.1-171.9173.600108.7

Retrieved 114 of 114 residues in 200.8 ms (Link to these results)

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