A0A3B3V167_9TELE Loading...

Alanyl-tRNA synthetase domain containing 1

Functions in trans to edit the amino acid moiety from incorrectly charged tRNA(Ala).

AlphaFold DB , UniProt , Accession A0A3B3V167, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 412 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
1M62.2Low88.9Confident172 Ų17248.2 Ų48.285%0.84723%0.228SC*.  0137.70-152.7170.8-158.600109
2A79.2Confident89.6Confident16 Ų1652.3 Ų52.313%0.13224%0.244CC..  trans-89.4135.4176.200000110.4Q6 R7 L171A2-Q6 VanDerWaalsContact CA-OE1 3.3Å; A2-Q6 HydrophobicContact CB-CB 4.22Å; A2-R7 HydrophobicContact CB-CG 4.45Å; A2-R7 VanDerWaalsContact O-CZ 3.24Å; A2-R7 PolarHBondContact O-NE 2.95Å; A2-R7 PolarHBondContact O-NH2 3.1Å; A2-L171 HydrophobicContact CB-CD2 4.47Å
3F90.6Very high90.3Very high21 Ų2156.4 Ų56.49%0.09226%0.263CS..  trans-71.8161.3174.3-60.6-63.3000111.5C5 Q6 R7 T47 P51 P76 A78F3-C5 VanDerWaalsContact C-N 3.25Å; F3-C5 VanDerWaalsContact CB-SG 3.59Å; F3-C5 PolarHBondContact O-N 3.28Å; F3-Q6 WeakPolarHBondContact O-CB 3.38Å; F3-Q6 PolarHBondContact O-N 2.65Å; F3-R7 PolarHBondContact O-N 2.69Å; F3-T47 HydrophobicContact CD1-CG2 4.22Å; F3-T47 HydrophobicContact CG-CG2 4.39Å; F3-P51 HydrophobicContact CD2-CG 3.95Å; F3-P51 HydrophobicContact CE2-CG 3.55Å; F3-P51 HydrophobicContact CZ-CG 4.39Å; F3-P76 WeakPolarHBondContact CE1-O 3.27Å; F3-P76 WeakPolarHBondContact CZ-O 3.44Å; F3-A78 HydrophobicContact CD1-CB 4.43Å; F3-A78 HydrophobicContact CE1-CB 3.88Å; F3-A78 HydrophobicContact CE2-CB 4.24Å; F3-A78 HydrophobicContact CZ-CB 3.76Å
4Q93.1Very high90.8Very high33 Ų3355.6 Ų55.615%0.15426%0.258CS..Hα-helixtrans-55.1-39.5177.7-169.861.216.900112.7Q6 R7 D8 M11 F14 D46 T47 I48Q4-Q6 PolarHBondContact O-N 2.85Å; Q4-Q6 VanDerWaalsContact O-N 3.16Å; Q4-R7 PolarHBondContact O-N 3.45Å; Q4-R7 VanDerWaalsContact O-N 3.15Å; Q4-D8 PolarHBondContact O-N 3.02Å; Q4-M11 HydrophobicContact CG-CE 4.5Å; Q4-M11 HydrophobicContact CG-SD 3.69Å; Q4-M11 VanDerWaalsContact NE2-CE 3.34Å; Q4-F14 HydrophobicContact CB-CE1 4.35Å; Q4-F14 HydrophobicContact CB-CZ 4.33Å; Q4-F14 HydrophobicContact CG-CD2 4.01Å; Q4-F14 HydrophobicContact CG-CE1 4.44Å; Q4-F14 HydrophobicContact CG-CE2 3.9Å; Q4-F14 HydrophobicContact CG-CG 4.35Å; Q4-F14 HydrophobicContact CG-CZ 4.13Å; Q4-D46 PolarHBondContact N-OD1 3.42Å; Q4-T47 WeakPolarHBondContact CB-O 3.41Å; Q4-T47 PolarHBondContact N-O 2.99Å; Q4-I48 HydrophobicContact CB-CG2 3.99Å; Q4-I48 HydrophobicContact CG-CG2 3.73Å
5C91.9Very high91.3Very high0 Ų056.6 Ų56.60%027%0.27CS..Hα-helixtrans-59-24.217454.40000115.2F3 C9 T47 I48 R101F3-C5 VanDerWaalsContact C-N 3.25Å; F3-C5 VanDerWaalsContact CB-SG 3.59Å; F3-C5 PolarHBondContact O-N 3.28Å; C5-C9 WeakPolarHBondContact O-CA 3.32Å; C5-C9 PolarHBondContact O-SG 3.25Å; C5-T47 PolarHBondContact N-O 3.36Å; C5-T47 VanDerWaalsContact N-O 3.16Å; C5-I48 WeakPolarHBondContact CB-O 3.27Å; C5-R101 VanDerWaalsContact CB-NH2 3.33Å
6Q90.5Very high91.7Very high9 Ų953.7 Ų53.74%0.04226%0.257CS..Hα-helixtrans-91.2-23.9-179.5-63.2173.3-55.200112.1A2 F3 Q4 F50 R196 C209A2-Q6 VanDerWaalsContact CA-OE1 3.3Å; A2-Q6 HydrophobicContact CB-CB 4.22Å; F3-Q6 WeakPolarHBondContact O-CB 3.38Å; F3-Q6 PolarHBondContact O-N 2.65Å; Q4-Q6 PolarHBondContact O-N 2.85Å; Q4-Q6 VanDerWaalsContact O-N 3.16Å; Q6-F50 HydrophobicContact CG-CD2 4.27Å; Q6-F50 HydrophobicContact CG-CE2 4.32Å; Q6-R196 PolarHBondContact O-NE 2.95Å; Q6-R196 PolarHBondContact O-NH2 3.47Å; Q6-R196 VanDerWaalsContact O-NH2 3.13Å; Q6-C209 PolarHBondContact NE2-O 3.25Å
7R89Confident92.1Very high108 Ų10853 Ų5341%0.40826%0.259SS..Hα-helixtrans-80-43.5174.4-61.3178.8-168.7141.55.6111.1A2 F3 Q4 D46A2-R7 HydrophobicContact CB-CG 4.45Å; A2-R7 VanDerWaalsContact O-CZ 3.24Å; A2-R7 PolarHBondContact O-NE 2.95Å; A2-R7 PolarHBondContact O-NH2 3.1Å; F3-R7 PolarHBondContact O-N 2.69Å; Q4-R7 PolarHBondContact O-N 3.45Å; Q4-R7 VanDerWaalsContact O-N 3.15Å; R7-D46 IonicContact CZ-OD2 3.86Å; R7-D46 IonicContact NH1-OD2 3.1Å; R7-D46 PolarHBondContact NH1-OD2 3.37Å; R7-D46 VanDerWaalsContact NH1-OD2 3.1Å; R7-D46 IonicContact NH2-OD2 3.94Å
8D92.5Very high92.4Very high64 Ų6450.3 Ų50.334%0.34225%0.246SC..  trans-131.699.5174.3-177.3-4000109.8Q4 Y10 M11Q4-D8 PolarHBondContact O-N 3.02Å; D8-Y10 PolarHBondContact O-N 3.46Å; D8-Y10 PolarHBondContact OD1-N 2.88Å; D8-M11 HydrophobicContact CB-CB 4.17Å; D8-M11 HydrophobicContact CB-CE 4.33Å; D8-M11 PolarHBondContact OD1-N 3.45Å
9C94.9Very high92.7Very high8 Ų852 Ų525%0.05426%0.26CS..THydrogen-bonded Turntrans-71.9-16.9-179.2-61.20000113.5C5 R101 M105C5-C9 WeakPolarHBondContact O-CA 3.32Å; C5-C9 PolarHBondContact O-SG 3.25Å; C9-R101 PolarHBondContact O-NH1 2.63Å; C9-M105 HydrophobicContact CB-CE 3.87Å; C9-M105 HydrophobicContact CB-SD 4.2Å
10Y96.6Very high92.9Very high55 Ų5551.1 Ų51.122%0.21626%0.258CS..THydrogen-bonded Turntrans-95.6-7.8-177.8-78.1-101.9000113.2D8 K12 W98 F102 M105 V213 T214 H218D8-Y10 PolarHBondContact O-N 3.46Å; D8-Y10 PolarHBondContact OD1-N 2.88Å; Y10-K12 WeakPolarHBondContact O-CG 3.46Å; Y10-K12 PolarHBondContact O-N 2.88Å; Y10-W98 AromaticContact CD1-CH2 3.68Å; Y10-W98 HydrophobicContact CD1-CH2 3.68Å; Y10-W98 HydrophobicContact CD1-CZ2 4.09Å; Y10-W98 HydrophobicContact CE1-CH2 4.14Å; Y10-W98 HydrophobicContact CE1-CZ2 4.3Å; Y10-W98 HydrophobicContact CG-CH2 4.14Å; Y10-F102 HydrophobicContact CE1-CE2 4.37Å; Y10-M105 HydrophobicContact CD2-CE 3.71Å; Y10-M105 HydrophobicContact CE1-CE 4.22Å; Y10-M105 HydrophobicContact CE2-CE 3.2Å; Y10-M105 HydrophobicContact CG-CE 4.36Å; Y10-V213 WeakPolarHBondContact OH-CA 3.48Å; Y10-V213 WeakPolarHBondContact OH-CB 3.34Å; Y10-T214 HydrophobicContact CD2-CG2 3.77Å; Y10-T214 HydrophobicContact CE2-CG2 3.49Å; Y10-T214 VanDerWaalsContact CE2-CG2 3.49Å; Y10-T214 WeakPolarHBondContact CE2-OG1 3.45Å; Y10-T214 PolarHBondContact OH-N 3.17Å; Y10-H218 AromaticContact CZ-ND1 3.69Å; Y10-H218 PolarHBondContact OH-ND1 2.9Å
11M97.3Very high93.2Very high44 Ų4449.9 Ų49.922%0.21725%0.254CS..  trans-61.2118.8173.5-170.2168.6-72.900110.7Q4 D8 E13 F14 I48Q4-M11 HydrophobicContact CG-CE 4.5Å; Q4-M11 HydrophobicContact CG-SD 3.69Å; Q4-M11 VanDerWaalsContact NE2-CE 3.34Å; D8-M11 HydrophobicContact CB-CB 4.17Å; D8-M11 HydrophobicContact CB-CE 4.33Å; D8-M11 PolarHBondContact OD1-N 3.45Å; M11-E13 VanDerWaalsContact CG-O 3.25Å; M11-E13 WeakPolarHBondContact CG-O 3.38Å; M11-F14 HydrophobicContact SD-CB 3.99Å; M11-F14 HydrophobicContact SD-CD2 3.75Å; M11-F14 HydrophobicContact SD-CG 4.18Å; M11-I48 HydrophobicContact CB-CG2 4.25Å; M11-I48 HydrophobicContact CG-CG2 3.88Å; M11-I48 HydrophobicContact SD-CG2 3.66Å
12K97.9Very high94.8Very high98 Ų9844.9 Ų44.943%0.42624%0.236SC..  trans-98.7-26.9-177.5-52.9-168.1-172.6-172.70113.8Y10 I48 T95 V96 W98Y10-K12 WeakPolarHBondContact O-CG 3.46Å; Y10-K12 PolarHBondContact O-N 2.88Å; K12-I48 VanDerWaalsContact C-CD1 3.46Å; K12-I48 WeakPolarHBondContact O-CD1 3.49Å; K12-T95 WeakPolarHBondContact O-CA 3.13Å; K12-V96 HydrophobicContact CB-CG1 4.22Å; K12-V96 PolarHBondContact O-N 3.2Å; K12-W98 HydrophobicContact CD-CB 4.38Å; K12-W98 HydrophobicContact CD-CD2 3.82Å; K12-W98 HydrophobicContact CD-CE3 3.98Å; K12-W98 HydrophobicContact CD-CG 3.97Å; K12-W98 VanDerWaalsContact CE-CD2 3.41Å; K12-W98 VanDerWaalsContact CE-CE2 3.46Å; K12-W98 HydrophobicContact CG-CD2 4.14Å; K12-W98 HydrophobicContact CG-CE3 3.75Å; K12-W98 HydrophobicContact CG-CZ3 4.16Å
13E97.9Very high95.7Very high105 Ų10549.4 Ų49.449%0.49126%0.264SS..EExtended strand (participates in β ladder)trans-132.8141.8179.2-67.3-177.4-153.800109.5M11 R93 V94 T95M11-E13 VanDerWaalsContact CG-O 3.25Å; M11-E13 WeakPolarHBondContact CG-O 3.38Å; E13-R93 WeakPolarHBondContact OE2-CD 3.45Å; E13-R93 IonicContact OE2-CZ 3.23Å; E13-R93 IonicContact OE2-NE 3.79Å; E13-R93 IonicContact OE2-NH1 2.79Å; E13-R93 PolarHBondContact OE2-NH1 3.45Å; E13-V94 CarbonylContact C-O 3.54Å; E13-V94 VanDerWaalsContact CA-O 3.27Å; E13-V94 WeakPolarHBondContact CA-O 3.3Å; E13-T95 HydrophobicContact CG-CG2 4.14Å
14F97.8Very high96Very high45 Ų4549.3 Ų49.320%0.19727%0.267CS..EExtended strand (participates in β ladder)trans-151.5136.3-179.9178.2-116.7000111Q4 M11 T16 D46 I48 V94Q4-F14 HydrophobicContact CB-CE1 4.35Å; Q4-F14 HydrophobicContact CB-CZ 4.33Å; Q4-F14 HydrophobicContact CG-CD2 4.01Å; Q4-F14 HydrophobicContact CG-CE1 4.44Å; Q4-F14 HydrophobicContact CG-CE2 3.9Å; Q4-F14 HydrophobicContact CG-CG 4.35Å; Q4-F14 HydrophobicContact CG-CZ 4.13Å; M11-F14 HydrophobicContact SD-CB 3.99Å; M11-F14 HydrophobicContact SD-CD2 3.75Å; M11-F14 HydrophobicContact SD-CG 4.18Å; F14-T16 HydrophobicContact CD1-CG2 4.44Å; F14-T16 HydrophobicContact CE1-CG2 4.45Å; F14-D46 HydrophobicContact CE1-CB 3.98Å; F14-D46 HydrophobicContact CZ-CB 4.19Å; F14-I48 HydrophobicContact CB-CB 4.16Å; F14-I48 HydrophobicContact CB-CD1 3.83Å; F14-I48 HydrophobicContact CB-CG1 3.83Å; F14-I48 HydrophobicContact CB-CG2 3.35Å; F14-I48 HydrophobicContact CD1-CG2 4.02Å; F14-I48 HydrophobicContact CD2-CG2 4.43Å; F14-I48 HydrophobicContact CG-CG2 3.7Å; F14-V94 PolarHBondContact N-O 3.22Å; F14-V94 PolarHBondContact O-N 3.44Å
15V98.2Very high96.1Very high71 Ų7153.4 Ų53.443%0.4329%0.286SS..EExtended strand (participates in β ladder)trans-98.5128.6178179.40000109.1E91 V92V15-E91 HydrophobicContact CG1-CG 3.29Å; V15-E91 WeakPolarHBondContact CG1-OE1 3.24Å; V15-V92 WeakPolarHBondContact CA-O 3.31Å
16T97.6Very high96.2Very high10 Ų1054.2 Ų54.26%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-149.5171-176-166.70000110.6F14 L44 D46 E91 V92 V94F14-T16 HydrophobicContact CD1-CG2 4.44Å; F14-T16 HydrophobicContact CE1-CG2 4.45Å; T16-L44 HydrophobicContact CG2-CB 3.94Å; T16-L44 HydrophobicContact CG2-CD1 3.86Å; T16-L44 HydrophobicContact CG2-CD2 4.18Å; T16-L44 HydrophobicContact CG2-CG 4.21Å; T16-D46 WeakPolarHBondContact CB-O 3.47Å; T16-D46 WeakPolarHBondContact CG2-O 3.35Å; T16-D46 PolarHBondContact OG1-N 3.39Å; T16-D46 PolarHBondContact OG1-O 3.17Å; T16-E91 WeakPolarHBondContact O-CA 3.5Å; T16-V92 HydrophobicContact CG2-CG2 4.15Å; T16-V92 PolarHBondContact N-O 3.3Å; T16-V92 PolarHBondContact O-N 3.48Å; T16-V94 HydrophobicContact CG2-CG2 3.7Å
17S97.8Very high96.2Very high42 Ų4261.4 Ų61.429%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-107143179.6-46.90000111.6V19 L44 K45 Q90S17-V19 PolarHBondContact O-N 3.42Å; S17-L44 WeakPolarHBondContact O-CA 3.36Å; S17-K45 PolarHBondContact O-N 3.44Å; S17-Q90 WeakPolarHBondContact CA-O 3.3Å
18V98.1Very high96.1Very high4 Ų459.4 Ų59.42%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-75.2121.4174.5-177.40000109.7V42 L44 V86 E87 V88 G89 Q90 V92V18-V42 HydrophobicContact CG1-CG1 4.08Å; V18-L44 HydrophobicContact CG2-CD2 4.03Å; V18-V86 HydrophobicContact CG2-CB 4.45Å; V18-V86 HydrophobicContact CG2-CG1 3.67Å; V18-E87 WeakPolarHBondContact CB-O 3.48Å; V18-V88 HydrophobicContact CG1-CG2 4.46Å; V18-G89 WeakPolarHBondContact O-CA 3.35Å; V18-G89 PolarHBondContact O-N 3.02Å; V18-Q90 PolarHBondContact N-O 2.73Å; V18-V92 HydrophobicContact CG2-CB 4.44Å; V18-V92 HydrophobicContact CG2-CG1 3.76Å; V18-V92 HydrophobicContact CG2-CG2 3.75Å
19V97.8Very high95.7Very high83 Ų8362.8 Ų62.850%0.50333%0.33SS..EExtended strand (participates in β ladder)trans-91.2-41.6-179.5176.80000111S17 L43 K45 V88S17-V19 PolarHBondContact O-N 3.42Å; V19-L43 HydrophobicContact CB-CB 4.29Å; V19-L43 PolarHBondContact N-O 2.88Å; V19-K45 HydrophobicContact CG2-CB 4.08Å; V19-V88 WeakPolarHBondContact O-CG1 3.41Å
20S97.9Very high95Very high33 Ų3365 Ų6523%0.23134%0.343CS..EExtended strand (participates in β ladder)trans-154155175.469.30000111.4V42 L43S20-V42 VanDerWaalsContact O-CA 3.32Å; S20-V42 WeakPolarHBondContact O-CA 3.48Å; S20-L43 PolarHBondContact N-O 3.27Å; S20-L43 PolarHBondContact O-N 3.14Å
21C97.8Very high94.1Very high26 Ų2670.1 Ų70.118%0.17638%0.375CS..EExtended strand (participates in β ladder)trans-143.7107.5174.4177.30000108.2N41 V42 V86 V88C21-N41 WeakPolarHBondContact CA-O 3.41Å; C21-V42 HydrophobicContact CB-CG2 4.18Å; C21-V86 VanDerWaalsContact CB-O 3.28Å; C21-V86 WeakPolarHBondContact CB-O 3.31Å; C21-V86 PolarHBondContact SG-N 3.48Å; C21-V86 VanDerWaalsContact SG-N 3.45Å; C21-V88 HydrophobicContact CB-CG2 3.98Å
22C97.3Very high93.3Very high68 Ų6870.8 Ų70.846%0.45939%0.393SS..EExtended strand (participates in β ladder)trans-121.9139.2-173.7-64.20000110.7A24 F40 N41C22-A24 PolarHBondContact O-N 3.44Å; C22-F40 CarbonylContact O-C 3.53Å; C22-F40 WeakPolarHBondContact O-CA 3.49Å; C22-N41 PolarHBondContact N-O 3.17Å; C22-N41 PolarHBondContact O-N 3.33Å
23P97.4Very high92.7Very high111 Ų11175.1 Ų75.172%0.72141%0.406SS*.EExtended strand (participates in β ladder)trans-53.2136.5172.6-25.133.9000111.7G39 F40P23-G39 WeakPolarHBondContact CA-O 3.44Å; P23-F40 HydrophobicContact CB-CE1 4.49Å; P23-F40 HydrophobicContact CG-CD1 4.29Å; P23-F40 HydrophobicContact CG-CE1 4.08Å
24A96.8Very high92.4Very high19 Ų1979.1 Ų79.116%0.15742%0.422CS..EExtended strand (participates in β ladder)trans-149167.7-176.500000111.5C22 G39 N41 F81C22-A24 PolarHBondContact O-N 3.44Å; A24-G39 PolarHBondContact N-O 2.89Å; A24-G39 CarbonylContact O-C 3.5Å; A24-G39 PolarHBondContact O-N 3.36Å; A24-G39 VanDerWaalsContact O-O 3.08Å; A24-N41 HydrophobicContact CB-CB 3.98Å; A24-N41 VanDerWaalsContact CB-CG 3.42Å; A24-F81 HydrophobicContact CB-CD2 4.25Å; A24-F81 HydrophobicContact CB-CE2 4.12Å
25E95.3Very high92.1Very high119 Ų11981 Ų8156%0.55643%0.432SS*.EExtended strand (participates in β ladder)trans-125.1134.6173-64.8-172.2162.200110.2T36 L37 K38E25-T36 HydrophobicContact CB-CG2 3.83Å; E25-T36 HydrophobicContact CG-CG2 4.19Å; E25-L37 CarbonylContact C-O 3.59Å; E25-L37 VanDerWaalsContact CA-O 3.26Å; E25-L37 WeakPolarHBondContact CA-O 3.31Å; E25-K38 HydrophobicContact CG-CG 4.35Å
26L93.2Very high91.9Very high17 Ų1781.4 Ų81.49%0.08943%0.434CS..EExtended strand (participates in β ladder)trans-106.9120.6173.6178.264.3000109.5T36 L37 L69 R70 F81L26-T36 WeakPolarHBondContact O-CA 3.44Å; L26-L37 HydrophobicContact CB-CB 4.48Å; L26-L37 PolarHBondContact N-O 3.4Å; L26-L37 PolarHBondContact O-N 2.88Å; L26-L69 HydrophobicContact CD2-CB 4.46Å; L26-R70 HydrophobicContact CD1-CB 4.34Å; L26-R70 HydrophobicContact CD2-CB 4.11Å; L26-F81 HydrophobicContact CB-CD1 3.69Å; L26-F81 HydrophobicContact CB-CD2 3.85Å; L26-F81 HydrophobicContact CB-CE1 3.45Å; L26-F81 VanDerWaalsContact CB-CE1 3.45Å; L26-F81 HydrophobicContact CB-CE2 3.62Å; L26-F81 HydrophobicContact CB-CG 3.88Å; L26-F81 HydrophobicContact CB-CZ 3.41Å; L26-F81 VanDerWaalsContact CB-CZ 3.41Å; L26-F81 HydrophobicContact CD2-CD1 3.56Å; L26-F81 HydrophobicContact CD2-CE1 3.87Å; L26-F81 HydrophobicContact CD2-CG 4.12Å; L26-F81 HydrophobicContact CG-CD1 4.21Å; L26-F81 HydrophobicContact CG-CE1 4.3Å; L26-F81 HydrophobicContact CG-CG 4.47Å
27K91.5Very high91.8Very high160 Ų16083.5 Ų83.570%0.69645%0.445SS*.EExtended strand (participates in β ladder)trans-88.9124.3170.5-64.2177.9-176.6173.70108.7
28Q86.4Confident91.7Very high66 Ų6689.5 Ų89.531%0.30847%0.465SS..EExtended strand (participates in β ladder)trans-135157.5177.863.7177.826.300111.2V30 E35 L37Q28-V30 HydrophobicContact CG-CG2 4.11Å; Q28-E35 HydrophobicContact CG-CB 4.3Å; Q28-E35 PolarHBondContact N-O 3.39Å; Q28-E35 PolarHBondContact O-N 2.88Å; Q28-L37 HydrophobicContact CG-CD1 4.46Å
29E84.4Confident91.6Very high135 Ų13589.6 Ų89.663%0.63147%0.468SS*.EExtended strand (participates in β ladder)trans-112.3115.6174.6-169.9173.6162.100109.3G32 R33E29-G32 WeakPolarHBondContact OE1-CA 3.45Å; E29-R33 WeakPolarHBondContact CA-O 3.37Å
30V80.3Confident91.7Very high53 Ų5388 Ų8832%0.32145%0.454SS..EExtended strand (participates in β ladder)trans-117.9117179.7-176.20000107.6Q28 G32 R33Q28-V30 HydrophobicContact CG-CG2 4.11Å; V30-G32 PolarHBondContact O-N 3.24Å; V30-R33 PolarHBondContact N-O 3.44Å; V30-R33 PolarHBondContact O-N 3.45Å
31N76.6Confident91.7Very high164 Ų16488.6 Ų88.688%0.87746%0.455SS*.THydrogen-bonded Turntrans5238.5-179.4-58.7-32.5000114R33N31-R33 VanDerWaalsContact C-N 3.29Å; N31-R33 PolarHBondContact O-N 2.9Å
32G82.2Confident91.7Very high58 Ų5887.4 Ų87.460%0.59845%0.446SS*.THydrogen-bonded Turntrans79.84.3-179.500000115E29 V30E29-G32 WeakPolarHBondContact OE1-CA 3.45Å; V30-G32 PolarHBondContact O-N 3.24Å
33R84.9Confident91.7Very high189 Ų18985.9 Ų85.971%0.71343%0.433SS*.EExtended strand (participates in β ladder)trans-106.4133.6174.7-63.8-177.6-178.7176.50.4110E29 V30 N31E29-R33 WeakPolarHBondContact CA-O 3.37Å; V30-R33 PolarHBondContact N-O 3.44Å; V30-R33 PolarHBondContact O-N 3.45Å; N31-R33 VanDerWaalsContact C-N 3.29Å; N31-R33 PolarHBondContact O-N 2.9Å
34K90.8Very high91.7Very high188 Ų18881.4 Ų81.482%0.81740%0.404SS*.EExtended strand (participates in β ladder)trans-81.8123.4174.7-66-178.6-179.6178.70109.3
35E92.4Very high91.7Very high86 Ų8688.5 Ų88.540%0.40243%0.431SS..EExtended strand (participates in β ladder)trans-122143.6176.9-66179.817300109.4Q28Q28-E35 HydrophobicContact CG-CB 4.3Å; Q28-E35 PolarHBondContact N-O 3.39Å; Q28-E35 PolarHBondContact O-N 2.88Å
36T93.4Very high91.8Very high79 Ų7984.3 Ų84.349%0.48541%0.412SS..EExtended strand (participates in β ladder)trans-113114.9173.5-57.40000108.3E25 L26E25-T36 HydrophobicContact CB-CG2 3.83Å; E25-T36 HydrophobicContact CG-CG2 4.19Å; L26-T36 WeakPolarHBondContact O-CA 3.44Å
37L94.6Very high91.9Very high54 Ų5483.6 Ų83.628%0.28341%0.408SS..EExtended strand (participates in β ladder)trans-93.8131.8174.9-65.9177.4000109.8E25 L26 Q28 L69 F81E25-L37 CarbonylContact C-O 3.59Å; E25-L37 VanDerWaalsContact CA-O 3.26Å; E25-L37 WeakPolarHBondContact CA-O 3.31Å; L26-L37 HydrophobicContact CB-CB 4.48Å; L26-L37 PolarHBondContact N-O 3.4Å; L26-L37 PolarHBondContact O-N 2.88Å; Q28-L37 HydrophobicContact CG-CD1 4.46Å; L37-L69 HydrophobicContact CD1-CD1 4.12Å; L37-F81 HydrophobicContact CB-CE1 4.34Å; L37-F81 HydrophobicContact CB-CZ 4.32Å
38K96.5Very high92.2Very high167 Ų16776 Ų7673%0.72638%0.375SS*.EExtended strand (participates in β ladder)trans-87.1136.5170.1-65.3-175.6176.9-176.50109.3E25E25-K38 HydrophobicContact CG-CG 4.35Å
39G96.9Very high92.8Very high7 Ų772.8 Ų72.87%0.07236%0.361CS..EExtended strand (participates in β ladder)trans-169-147.5-177.800000111.2P23 A24 V82P23-G39 WeakPolarHBondContact CA-O 3.44Å; A24-G39 PolarHBondContact N-O 2.89Å; A24-G39 CarbonylContact O-C 3.5Å; A24-G39 PolarHBondContact O-N 3.36Å; A24-G39 VanDerWaalsContact O-O 3.08Å; G39-V82 CarbonylContact C-O 3.51Å; G39-V82 VanDerWaalsContact CA-O 3.29Å; G39-V82 WeakPolarHBondContact CA-O 3.23Å
40F98.2Very high93.3Very high50 Ų5066.5 Ų66.522%0.21933%0.331CS..EExtended strand (participates in β ladder)trans-136.8141.7-177.6-56.7-97.1000110.4C22 P23 F81 V82 P85C22-F40 CarbonylContact O-C 3.53Å; C22-F40 WeakPolarHBondContact O-CA 3.49Å; P23-F40 HydrophobicContact CB-CE1 4.49Å; P23-F40 HydrophobicContact CG-CD1 4.29Å; P23-F40 HydrophobicContact CG-CE1 4.08Å; F40-F81 WeakPolarHBondContact O-CA 3.42Å; F40-V82 HydrophobicContact CB-CG2 4.01Å; F40-V82 PolarHBondContact N-O 3.08Å; F40-V82 PolarHBondContact O-N 3.28Å; F40-P85 HydrophobicContact CD1-CB 4.05Å; F40-P85 HydrophobicContact CD2-CB 4.17Å; F40-P85 HydrophobicContact CE1-CB 3.85Å; F40-P85 HydrophobicContact CE1-CG 4.48Å; F40-P85 HydrophobicContact CE2-CB 4.01Å; F40-P85 VanDerWaalsContact CE2-CD 3.45Å; F40-P85 HydrophobicContact CE2-CG 4.12Å; F40-P85 HydrophobicContact CG-CB 4.21Å; F40-P85 HydrophobicContact CZ-CB 3.84Å; F40-P85 HydrophobicContact CZ-CG 4.01Å
41N98.2Very high94Very high45 Ų4564.1 Ų64.124%0.24132%0.317CS..EExtended strand (participates in β ladder)trans-91.4123.8165.1-81.1-13.6000108.8C21 C22 A24 V79 H80C21-N41 WeakPolarHBondContact CA-O 3.41Å; C22-N41 PolarHBondContact N-O 3.17Å; C22-N41 PolarHBondContact O-N 3.33Å; A24-N41 HydrophobicContact CB-CB 3.98Å; A24-N41 VanDerWaalsContact CB-CG 3.42Å; N41-V79 HydrophobicContact CB-CG1 3.65Å; N41-H80 CarbonylContact C-O 3.54Å; N41-H80 WeakPolarHBondContact CA-O 3.32Å
42V98.3Very high94.5Very high0 Ų059.9 Ų59.90%029%0.291CS..EExtended strand (participates in β ladder)trans-113.8125.8-179.9178.20000109.6V18 S20 C21 L44 I63 H80 V82 V86V18-V42 HydrophobicContact CG1-CG1 4.08Å; S20-V42 VanDerWaalsContact O-CA 3.32Å; S20-V42 WeakPolarHBondContact O-CA 3.48Å; C21-V42 HydrophobicContact CB-CG2 4.18Å; V42-L44 HydrophobicContact CG1-CD2 3.83Å; V42-L44 HydrophobicContact CG1-CG 4.4Å; V42-I63 HydrophobicContact CG1-CD1 4.27Å; V42-H80 HydrophobicContact CB-CB 4.43Å; V42-H80 PolarHBondContact N-O 3.48Å; V42-H80 PolarHBondContact O-N 3.39Å; V42-H80 PolarHBondContact O-ND1 3.16Å; V42-V82 HydrophobicContact CG2-CG2 3.6Å; V42-V86 HydrophobicContact CG2-CB 4.44Å; V42-V86 HydrophobicContact CG2-CG2 4.15Å
43L98Very high94.6Very high36 Ų3658.2 Ų58.219%0.18827%0.274CS..EExtended strand (participates in β ladder)trans-100135.1166.1-83.777.4000109.4V19 S20 D77 V79V19-L43 HydrophobicContact CB-CB 4.29Å; V19-L43 PolarHBondContact N-O 2.88Å; S20-L43 PolarHBondContact N-O 3.27Å; S20-L43 PolarHBondContact O-N 3.14Å; L43-D77 HydrophobicContact CD2-CB 3.86Å; L43-V79 HydrophobicContact CD1-CG1 4.32Å; L43-V79 HydrophobicContact CD1-CG2 3.99Å; L43-V79 HydrophobicContact CG-CG2 4.46Å
44L97.8Very high94.1Very high18 Ų1852.1 Ų52.19%0.09427%0.271CS..EExtended strand (participates in β ladder)trans-110155.8174.5-56.7177.4000109T16 S17 V18 V42 D46 I63 V92 V94T16-L44 HydrophobicContact CG2-CB 3.94Å; T16-L44 HydrophobicContact CG2-CD1 3.86Å; T16-L44 HydrophobicContact CG2-CD2 4.18Å; T16-L44 HydrophobicContact CG2-CG 4.21Å; S17-L44 WeakPolarHBondContact O-CA 3.36Å; V18-L44 HydrophobicContact CG2-CD2 4.03Å; V42-L44 HydrophobicContact CG1-CD2 3.83Å; V42-L44 HydrophobicContact CG1-CG 4.4Å; L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 WeakPolarHBondContact CB-O 3.42Å; L44-D46 PolarHBondContact O-N 3.2Å; L44-I63 HydrophobicContact CD1-CD1 3.96Å; L44-I63 HydrophobicContact CD1-CG1 4.18Å; L44-I63 HydrophobicContact CD2-CD1 4.48Å; L44-I63 HydrophobicContact CD2-CG2 4.37Å; L44-I63 HydrophobicContact CG-CD1 4.45Å; L44-V92 HydrophobicContact CD2-CG2 4.04Å; L44-V94 HydrophobicContact CD1-CG2 3.61Å
45K96.6Very high93.6Very high168 Ų16845 Ų4573%0.7325%0.25SS*.SBendtrans-60.8-37178.1-176.2178177.9-178.80112.7S17 V19S17-K45 PolarHBondContact O-N 3.44Å; V19-K45 HydrophobicContact CG2-CB 4.08Å
46D95.8Very high93.6Very high30 Ų3041 Ų4116%0.1623%0.232CC..SBendtrans-154.6162.8168.4-158.6-15.3000107.2Q4 R7 F14 T16 L44Q4-D46 PolarHBondContact N-OD1 3.42Å; R7-D46 IonicContact CZ-OD2 3.86Å; R7-D46 IonicContact NH1-OD2 3.1Å; R7-D46 PolarHBondContact NH1-OD2 3.37Å; R7-D46 VanDerWaalsContact NH1-OD2 3.1Å; R7-D46 IonicContact NH2-OD2 3.94Å; F14-D46 HydrophobicContact CE1-CB 3.98Å; F14-D46 HydrophobicContact CZ-CB 4.19Å; T16-D46 WeakPolarHBondContact CB-O 3.47Å; T16-D46 WeakPolarHBondContact CG2-O 3.35Å; T16-D46 PolarHBondContact OG1-N 3.39Å; T16-D46 PolarHBondContact OG1-O 3.17Å; L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 WeakPolarHBondContact CB-O 3.42Å; L44-D46 PolarHBondContact O-N 3.2Å
47T96.9Very high93.6Very high2 Ų239 Ų391%0.01222%0.22CC..  trans-143.7146.2-174.7-172.10000113.7F3 Q4 C5 L49 A78 H80F3-T47 HydrophobicContact CD1-CG2 4.22Å; F3-T47 HydrophobicContact CG-CG2 4.39Å; Q4-T47 WeakPolarHBondContact CB-O 3.41Å; Q4-T47 PolarHBondContact N-O 2.99Å; C5-T47 PolarHBondContact N-O 3.36Å; C5-T47 VanDerWaalsContact N-O 3.16Å; T47-L49 WeakPolarHBondContact CG2-O 3.4Å; T47-L49 PolarHBondContact OG1-N 3.4Å; T47-A78 HydrophobicContact CG2-CB 3.65Å; T47-H80 WeakPolarHBondContact CB-NE2 2.98Å; T47-H80 PolarHBondContact OG1-NE2 3.24Å
48I97.4Very high93.6Very high0 Ų037.1 Ų37.10%021%0.21CC..SBendtrans-96.75167.162.2163.6000113.3Q4 C5 M11 K12 F14 V94 R101Q4-I48 HydrophobicContact CB-CG2 3.99Å; Q4-I48 HydrophobicContact CG-CG2 3.73Å; C5-I48 WeakPolarHBondContact CB-O 3.27Å; M11-I48 HydrophobicContact CB-CG2 4.25Å; M11-I48 HydrophobicContact CG-CG2 3.88Å; M11-I48 HydrophobicContact SD-CG2 3.66Å; K12-I48 VanDerWaalsContact C-CD1 3.46Å; K12-I48 WeakPolarHBondContact O-CD1 3.49Å; F14-I48 HydrophobicContact CB-CB 4.16Å; F14-I48 HydrophobicContact CB-CD1 3.83Å; F14-I48 HydrophobicContact CB-CG1 3.83Å; F14-I48 HydrophobicContact CB-CG2 3.35Å; F14-I48 HydrophobicContact CD1-CG2 4.02Å; F14-I48 HydrophobicContact CD2-CG2 4.43Å; F14-I48 HydrophobicContact CG-CG2 3.7Å; I48-V94 HydrophobicContact CD1-CG1 4.39Å; I48-V94 HydrophobicContact CG1-CB 4.1Å; I48-V94 HydrophobicContact CG1-CG1 3.73Å; I48-R101 PolarHBondContact O-NH2 3.43Å
49L97.9Very high93.7Very high0 Ų029.2 Ų29.20%018%0.176CC..SBendtrans-95118.8171.7-55.2-179000108.3T47 P51 D59 V68 V71 V94 V96T47-L49 WeakPolarHBondContact CG2-O 3.4Å; T47-L49 PolarHBondContact OG1-N 3.4Å; L49-P51 WeakPolarHBondContact O-CD 3.28Å; L49-D59 HydrophobicContact CB-CB 4.32Å; L49-D59 HydrophobicContact CD2-CB 4.31Å; L49-V68 HydrophobicContact CD1-CB 3.98Å; L49-V68 HydrophobicContact CD1-CG1 4.01Å; L49-V68 HydrophobicContact CD1-CG2 3.72Å; L49-V71 HydrophobicContact CB-CG2 3.92Å; L49-V71 HydrophobicContact CD1-CG2 4.34Å; L49-V94 HydrophobicContact CD1-CG1 3.94Å; L49-V94 HydrophobicContact CD2-CG1 4.17Å; L49-V94 HydrophobicContact CG-CG1 3.7Å; L49-V96 HydrophobicContact CD2-CB 3.9Å; L49-V96 HydrophobicContact CD2-CG2 3.81Å
50F96.5Very high93.7Very high3 Ų331.7 Ų31.71%0.01319%0.186CC..PPolyproline II helixtrans-69.9122.8-178.2-179.1-108.8000109Q6 Q56 D58 D59 C209 T211Q6-F50 HydrophobicContact CG-CD2 4.27Å; Q6-F50 HydrophobicContact CG-CE2 4.32Å; F50-Q56 HydrophobicContact CD1-CG 4.32Å; F50-Q56 HydrophobicContact CE1-CB 3.9Å; F50-Q56 HydrophobicContact CE1-CG 4.02Å; F50-D58 WeakPolarHBondContact O-CA 3.48Å; F50-D59 WeakPolarHBondContact CA-OD2 3.35Å; F50-D59 WeakPolarHBondContact CB-OD2 3.32Å; F50-D59 PolarHBondContact N-OD2 3.4Å; F50-D59 PolarHBondContact O-N 3.17Å; F50-C209 WeakPolarHBondContact CE2-O 3.15Å; F50-T211 HydrophobicContact CB-CG2 4.09Å; F50-T211 HydrophobicContact CD2-CG2 4.07Å; F50-T211 HydrophobicContact CG-CG2 4.08Å
51P93.4Very high93.7Very high3 Ų329.8 Ų29.82%0.01918%0.18CC..PPolyproline II helixtrans-68.7147.9168.229.8-32.7000109.1F3 L49 G53 V71 R73 A78F3-P51 HydrophobicContact CD2-CG 3.95Å; F3-P51 HydrophobicContact CE2-CG 3.55Å; F3-P51 HydrophobicContact CZ-CG 4.39Å; L49-P51 WeakPolarHBondContact O-CD 3.28Å; P51-G53 PolarHBondContact O-N 3.11Å; P51-V71 HydrophobicContact CB-CG1 3.89Å; P51-R73 HydrophobicContact CB-CB 4.04Å; P51-R73 HydrophobicContact CG-CB 4.43Å; P51-A78 HydrophobicContact CB-CB 4.27Å; P51-A78 HydrophobicContact CG-CB 4.15Å
52E88.3Confident93.7Very high74 Ų7430.6 Ų30.635%0.34618%0.184SC..SBendtrans-46.1138.2172.765.7-172.7-176.300111.5D58 R70 V71E52-D58 HydrophobicContact CB-CB 4.14Å; E52-R70 IonicContact OE1-NH2 3.28Å; E52-R70 PolarHBondContact OE1-NH2 3.38Å; E52-R70 IonicContact OE2-CZ 3.82Å; E52-R70 IonicContact OE2-NE 2.9Å; E52-R70 IonicContact OE2-NH2 3.4Å; E52-R70 PolarHBondContact OE2-NH2 2.88Å; E52-V71 PolarHBondContact N-O 3.33Å
53G83.2Confident93.7Very high23 Ų2330.7 Ų30.724%0.23718%0.184CC..BIsolated β-bridgetrans179141.5-174.100000115.1P51 G55 Q56P51-G53 PolarHBondContact O-N 3.11Å; G53-G55 PolarHBondContact O-N 3.46Å; G53-Q56 PolarHBondContact N-O 2.85Å; G53-Q56 VanDerWaalsContact N-O 3.1Å; G53-Q56 PolarHBondContact O-N 3.39Å
54G74.1Confident93.6Very high62 Ų6230.2 Ų30.264%0.63919%0.189SC*.THydrogen-bonded Turntrans67.8-0.4176.900000115.1W129G54-W129 WeakPolarHBondContact O-CH2 3.3Å; G54-W129 WeakPolarHBondContact O-CZ2 3.33Å
55G81.6Confident93.4Very high38 Ų3837.5 Ų37.539%0.39222%0.222SC..THydrogen-bonded Turntrans107.4-6.6-170.800000113.5G53 W129G53-G55 PolarHBondContact O-N 3.46Å; G55-W129 VanDerWaalsContact CA-CZ3 3.43Å; G55-W129 WeakPolarHBondContact O-CZ3 3.42Å
56Q91.1Very high93.5Very high3 Ų330.7 Ų30.71%0.01419%0.194CC..BIsolated β-bridgetrans-84.9131.7171.2-175.5-173.4-43.300110.2F50 G53 H104 H108 L131 T211F50-Q56 HydrophobicContact CD1-CG 4.32Å; F50-Q56 HydrophobicContact CE1-CB 3.9Å; F50-Q56 HydrophobicContact CE1-CG 4.02Å; G53-Q56 PolarHBondContact N-O 2.85Å; G53-Q56 VanDerWaalsContact N-O 3.1Å; G53-Q56 PolarHBondContact O-N 3.39Å; Q56-H104 HydrophobicContact CG-CB 4.17Å; Q56-H108 PolarHBondContact OE1-ND1 3.49Å; Q56-L131 HydrophobicContact CB-CD1 4.21Å; Q56-L131 HydrophobicContact CG-CD1 4.41Å; Q56-T211 PolarHBondContact NE2-OG1 3.44Å; Q56-T211 PolarHBondContact OE1-OG1 3.25Å
57P93.7Very high93.6Very high37 Ų3732 Ų3224%0.2420%0.204CC..PPolyproline II helixtrans-63.7158.5172.5-18.330.8000112.4
58D96.1Very high93.6Very high14 Ų1432 Ų328%0.07521%0.205CC..PPolyproline II helixtrans-68.4157.4177.464.8-32.2000113.1F50 E52 R70 V71 R100 H104F50-D58 WeakPolarHBondContact O-CA 3.48Å; E52-D58 HydrophobicContact CB-CB 4.14Å; D58-R70 WeakPolarHBondContact OD2-CA 3.24Å; D58-R70 VanDerWaalsContact OD2-CG 3.31Å; D58-R70 WeakPolarHBondContact OD2-CG 3.34Å; D58-V71 HydrophobicContact CB-CB 4.23Å; D58-V71 VanDerWaalsContact CB-O 3.23Å; D58-V71 WeakPolarHBondContact CB-O 3.38Å; D58-V71 PolarHBondContact OD2-N 2.9Å; D58-R100 VanDerWaalsContact O-CZ 3.23Å; D58-R100 PolarHBondContact O-NE 2.92Å; D58-R100 PolarHBondContact O-NH2 2.8Å; D58-R100 IonicContact OD1-NH2 3.71Å; D58-R100 PolarHBondContact OD1-NH2 3.25Å; D58-H104 PolarHBondContact O-CE1 3.11Å
59D97.6Very high93.5Very high0 Ų034.8 Ų34.80%022%0.219CC..PPolyproline II helixtrans-84.2155.1169.5-66.3-48.3000112.5L49 F50 V71 V96 R101 H104L49-D59 HydrophobicContact CB-CB 4.32Å; L49-D59 HydrophobicContact CD2-CB 4.31Å; F50-D59 WeakPolarHBondContact CA-OD2 3.35Å; F50-D59 WeakPolarHBondContact CB-OD2 3.32Å; F50-D59 PolarHBondContact N-OD2 3.4Å; F50-D59 PolarHBondContact O-N 3.17Å; D59-V71 WeakPolarHBondContact O-CG2 3.4Å; D59-V96 HydrophobicContact CB-CG2 4.18Å; D59-R101 VanDerWaalsContact CG-NE 3.32Å; D59-R101 IonicContact OD1-NE 3.05Å; D59-R101 PolarHBondContact OD1-NE 3.44Å; D59-R101 IonicContact OD2-CZ 3.11Å; D59-R101 IonicContact OD2-NE 2.73Å; D59-R101 PolarHBondContact OD2-NE 3.02Å; D59-R101 IonicContact OD2-NH2 3.31Å; D59-R101 PolarHBondContact OD2-NH2 3.43Å; D59-H104 IonicContact OD1-ND1 3.97Å
60H97Very high93.5Very high60 Ų6038.6 Ų38.628%0.27823%0.233SC..  trans-110.6171.3165.9-64.4-175000109.2L69 D97H60-L69 PolarHBondContact NE2-O 3.16Å; H60-D97 HydrophobicContact CB-CB 4.4Å; H60-D97 PolarHBondContact O-N 3.23Å
61G97.7Very high93.5Very high10 Ų1038.4 Ų38.410%0.10323%0.233CC..EExtended strand (participates in β ladder)trans166-153.5-179.200000111.5V68 T95G61-V68 PolarHBondContact O-N 3.45Å; G61-T95 CarbonylContact C-O 3.43Å; G61-T95 WeakPolarHBondContact CA-O 3.34Å
62L98.3Very high93.5Very high62 Ų6239.5 Ų39.533%0.32524%0.239SC..EExtended strand (participates in β ladder)trans-126.3145179.1-55.5175.3000110.1G64 V66 P67 V94 T95L62-G64 WeakPolarHBondContact CB-O 3.37Å; L62-V66 WeakPolarHBondContact CA-O 3.08Å; L62-P67 HydrophobicContact CD2-CB 4.28Å; L62-P67 HydrophobicContact CD2-CG 4.19Å; L62-V94 CarbonylContact O-C 3.58Å; L62-V94 VanDerWaalsContact O-CA 3.28Å; L62-V94 WeakPolarHBondContact O-CA 3.15Å; L62-T95 PolarHBondContact N-O 2.94Å; L62-T95 PolarHBondContact O-N 3.36Å
63I98.1Very high93.7Very high1 Ų141.6 Ų41.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-113.2107.3161.7-63.3168.2000106.3V42 L44 E65 V66 V68 H80 V82 V86 V92 V94V42-I63 HydrophobicContact CG1-CD1 4.27Å; L44-I63 HydrophobicContact CD1-CD1 3.96Å; L44-I63 HydrophobicContact CD1-CG1 4.18Å; L44-I63 HydrophobicContact CD2-CD1 4.48Å; L44-I63 HydrophobicContact CD2-CG2 4.37Å; L44-I63 HydrophobicContact CG-CD1 4.45Å; I63-E65 PolarHBondContact O-N 3.4Å; I63-V66 PolarHBondContact N-O 3.25Å; I63-V66 WeakPolarHBondContact O-CB 3.27Å; I63-V66 PolarHBondContact O-N 2.9Å; I63-V68 HydrophobicContact CB-CG2 4.44Å; I63-V68 HydrophobicContact CD1-CG2 3.64Å; I63-V68 HydrophobicContact CG1-CG2 3.59Å; I63-H80 HydrophobicContact CD1-CB 3.81Å; I63-V82 HydrophobicContact CD1-CG1 4.27Å; I63-V86 HydrophobicContact CG2-CG1 4.24Å; I63-V86 HydrophobicContact CG2-CG2 4.34Å; I63-V92 HydrophobicContact CG2-CB 4Å; I63-V92 HydrophobicContact CG2-CG1 4.37Å; I63-V92 HydrophobicContact CG2-CG2 3.7Å; I63-V94 HydrophobicContact CG1-CG2 4.43Å
64G95.8Very high94Very high27 Ų2745.6 Ų45.628%0.27826%0.257SS..THydrogen-bonded Turntrans59.4-120.1-161.700000109.5L62 R93L62-G64 WeakPolarHBondContact CB-O 3.37Å; G64-R93 PolarHBondContact N-O 2.78Å
65E95.3Very high94.5Very high171 Ų17145.5 Ų45.580%0.79926%0.255SS*.THydrogen-bonded Turntrans-980.9175.2-58.8-57.7136.600112.9I63 P67I63-E65 PolarHBondContact O-N 3.4Å; E65-P67 WeakPolarHBondContact O-CD 3.29Å
66V97.3Very high94.7Very high24 Ų2448.1 Ų48.115%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-91.2123.1-172.9-173.20000110.8L62 I63 V68 V82 V86L62-V66 WeakPolarHBondContact CA-O 3.08Å; I63-V66 PolarHBondContact N-O 3.25Å; I63-V66 WeakPolarHBondContact O-CB 3.27Å; I63-V66 PolarHBondContact O-N 2.9Å; V66-V68 PolarHBondContact O-N 2.97Å; V66-V82 HydrophobicContact CG1-CB 3.7Å; V66-V82 HydrophobicContact CG1-CG1 4.09Å; V66-V82 HydrophobicContact CG1-CG2 4.32Å; V66-V86 HydrophobicContact CB-CG2 4.48Å; V66-V86 HydrophobicContact CG2-CG2 4.24Å
67P97.6Very high94.7Very high57 Ų5751.6 Ų51.637%0.3728%0.284SS..EExtended strand (participates in β ladder)trans-65.6131.9176.8-21.733.9000113.5L62 E65L62-P67 HydrophobicContact CD2-CB 4.28Å; L62-P67 HydrophobicContact CD2-CG 4.19Å; E65-P67 WeakPolarHBondContact O-CD 3.29Å
68V97.9Very high94.7Very high3 Ų350.2 Ų50.22%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-91.6117.3170.3-177.30000108.8L49 G61 I63 V66 V71 H80 V82L49-V68 HydrophobicContact CD1-CB 3.98Å; L49-V68 HydrophobicContact CD1-CG1 4.01Å; L49-V68 HydrophobicContact CD1-CG2 3.72Å; G61-V68 PolarHBondContact O-N 3.45Å; I63-V68 HydrophobicContact CB-CG2 4.44Å; I63-V68 HydrophobicContact CD1-CG2 3.64Å; I63-V68 HydrophobicContact CG1-CG2 3.59Å; V66-V68 PolarHBondContact O-N 2.97Å; V68-V71 HydrophobicContact CG1-CG2 3.58Å; V68-H80 HydrophobicContact CG1-CB 4.08Å; V68-V82 HydrophobicContact CB-CG1 4.47Å; V68-V82 HydrophobicContact CG2-CG1 3.89Å
69L95.9Very high94.8Very high58 Ų5849.8 Ų49.830%0.30427%0.274SS..EExtended strand (participates in β ladder)trans-95.5-21.2-177.5-57.4-175.4000113.4L26 L37 H60 F81 T83L26-L69 HydrophobicContact CD2-CB 4.46Å; L37-L69 HydrophobicContact CD1-CD1 4.12Å; H60-L69 PolarHBondContact NE2-O 3.16Å; L69-F81 HydrophobicContact CB-CD1 4.25Å; L69-F81 HydrophobicContact CD1-CD1 4.46Å; L69-F81 HydrophobicContact CD1-CE1 4.34Å; L69-F81 PolarHBondContact N-O 3.44Å; L69-T83 HydrophobicContact CD1-CG2 3.61Å; L69-T83 HydrophobicContact CG-CG2 4.34Å
70R96.4Very high94.8Very high80 Ų8049.8 Ų49.830%0.30227%0.274SS..EExtended strand (participates in β ladder)trans-156.9144.6176.3-165.7173.9-179.7167.6-2.1111.3L26 E52 D58 T72 F81L26-R70 HydrophobicContact CD1-CB 4.34Å; L26-R70 HydrophobicContact CD2-CB 4.11Å; E52-R70 IonicContact OE1-NH2 3.28Å; E52-R70 PolarHBondContact OE1-NH2 3.38Å; E52-R70 IonicContact OE2-CZ 3.82Å; E52-R70 IonicContact OE2-NE 2.9Å; E52-R70 IonicContact OE2-NH2 3.4Å; E52-R70 PolarHBondContact OE2-NH2 2.88Å; D58-R70 WeakPolarHBondContact OD2-CA 3.24Å; D58-R70 VanDerWaalsContact OD2-CG 3.31Å; D58-R70 WeakPolarHBondContact OD2-CG 3.34Å; R70-T72 HydrophobicContact CG-CG2 3.92Å; R70-T72 VanDerWaalsContact NE-CG2 3.29Å; R70-F81 HydrophobicContact CB-CB 4.22Å; R70-F81 PolarHBondContact O-N 3.06Å
71V97.1Very high94.9Very high0 Ų047.2 Ų47.20%026%0.262CS..EExtended strand (participates in β ladder)trans-124.2115.9168.5-167.80000109.6L49 P51 E52 D58 D59 V68 A78 V79L49-V71 HydrophobicContact CB-CG2 3.92Å; L49-V71 HydrophobicContact CD1-CG2 4.34Å; P51-V71 HydrophobicContact CB-CG1 3.89Å; E52-V71 PolarHBondContact N-O 3.33Å; D58-V71 HydrophobicContact CB-CB 4.23Å; D58-V71 VanDerWaalsContact CB-O 3.23Å; D58-V71 WeakPolarHBondContact CB-O 3.38Å; D58-V71 PolarHBondContact OD2-N 2.9Å; D59-V71 WeakPolarHBondContact O-CG2 3.4Å; V68-V71 HydrophobicContact CG1-CG2 3.58Å; V71-A78 HydrophobicContact CG1-CB 4.18Å; V71-V79 WeakPolarHBondContact CA-O 3.44Å
72T94.5Very high94.9Very high25 Ų2546.8 Ų46.815%0.15326%0.257CS..EExtended strand (participates in β ladder)trans-112.1146.3-179.358.80000110.9R70 V79R70-T72 HydrophobicContact CG-CG2 3.92Å; R70-T72 VanDerWaalsContact NE-CG2 3.29Å; T72-V79 PolarHBondContact N-O 2.87Å; T72-V79 PolarHBondContact O-N 3.02Å
73R90.9Very high94.7Very high119 Ų11947 Ų4745%0.44926%0.261SS..EExtended strand (participates in β ladder)trans-86.7125.1172.6-164.8172.5-174.2-172.73.4109.9P51 G75 D77P51-R73 HydrophobicContact CB-CB 4.04Å; P51-R73 HydrophobicContact CG-CB 4.43Å; R73-G75 PolarHBondContact NE-O 3.04Å; R73-D77 WeakPolarHBondContact CA-O 3.41Å
74Q89.4Confident94.6Very high107 Ų10749.7 Ų49.750%0.528%0.28SS..EExtended strand (participates in β ladder)trans-126.398.8172.5-63.3-172.918.400108.8D77 V79Q74-D77 PolarHBondContact N-O 3.35Å; Q74-D77 PolarHBondContact O-N 3.44Å; Q74-V79 HydrophobicContact CB-CG2 3.91Å; Q74-V79 HydrophobicContact CG-CG2 3.82Å
75G85.5Confident94.6Very high59 Ų5952.3 Ų52.361%0.60829%0.292SS*.THydrogen-bonded Turntrans59.4-123.9-172.200000111.8R73 D77R73-G75 PolarHBondContact NE-O 3.04Å; G75-D77 VanDerWaalsContact C-N 3.28Å
76P84.8Confident94.6Very high94 Ų9444.8 Ų44.861%0.6126%0.258SS*.THydrogen-bonded Turntrans-78-12176.834.3-35000113.4F3F3-P76 WeakPolarHBondContact CE1-O 3.27Å; F3-P76 WeakPolarHBondContact CZ-O 3.44Å
77D91.1Very high94.6Very high76 Ų7650.3 Ų50.341%0.40628%0.282SS..EExtended strand (participates in β ladder)trans-97.6148.7-168.1-59.9-42.7000112.9L43 R73 Q74 G75L43-D77 HydrophobicContact CD2-CB 3.86Å; R73-D77 WeakPolarHBondContact CA-O 3.41Å; Q74-D77 PolarHBondContact N-O 3.35Å; Q74-D77 PolarHBondContact O-N 3.44Å; G75-D77 VanDerWaalsContact C-N 3.28Å
78A95.1Very high94.6Very high8 Ų851.6 Ų51.67%0.06629%0.288CS..EExtended strand (participates in β ladder)trans-100.3114.4166.200000108.9F3 T47 P51 V71 H80F3-A78 HydrophobicContact CD1-CB 4.43Å; F3-A78 HydrophobicContact CE1-CB 3.88Å; F3-A78 HydrophobicContact CE2-CB 4.24Å; F3-A78 HydrophobicContact CZ-CB 3.76Å; T47-A78 HydrophobicContact CG2-CB 3.65Å; P51-A78 HydrophobicContact CB-CB 4.27Å; P51-A78 HydrophobicContact CG-CB 4.15Å; V71-A78 HydrophobicContact CG1-CB 4.18Å; A78-H80 PolarHBondContact O-CE1 2.86Å; A78-H80 VanDerWaalsContact O-CE1 3.23Å; A78-H80 PolarHBondContact O-ND1 3.24Å
79V97.1Very high94.6Very high4 Ų454.3 Ų54.32%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-101.8119.1-176.6-176.30000109.5N41 L43 V71 T72 Q74N41-V79 HydrophobicContact CB-CG1 3.65Å; L43-V79 HydrophobicContact CD1-CG1 4.32Å; L43-V79 HydrophobicContact CD1-CG2 3.99Å; L43-V79 HydrophobicContact CG-CG2 4.46Å; V71-V79 WeakPolarHBondContact CA-O 3.44Å; T72-V79 PolarHBondContact N-O 2.87Å; T72-V79 PolarHBondContact O-N 3.02Å; Q74-V79 HydrophobicContact CB-CG2 3.91Å; Q74-V79 HydrophobicContact CG-CG2 3.82Å
80H98.3Very high94.6Very high1 Ų155.7 Ų55.71%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-100120.1-176-48.378.8000109.5N41 V42 T47 I63 V68 A78N41-H80 CarbonylContact C-O 3.54Å; N41-H80 WeakPolarHBondContact CA-O 3.32Å; V42-H80 HydrophobicContact CB-CB 4.43Å; V42-H80 PolarHBondContact N-O 3.48Å; V42-H80 PolarHBondContact O-N 3.39Å; V42-H80 PolarHBondContact O-ND1 3.16Å; T47-H80 WeakPolarHBondContact CB-NE2 2.98Å; T47-H80 PolarHBondContact OG1-NE2 3.24Å; I63-H80 HydrophobicContact CD1-CB 3.81Å; V68-H80 HydrophobicContact CG1-CB 4.08Å; A78-H80 PolarHBondContact O-CE1 2.86Å; A78-H80 VanDerWaalsContact O-CE1 3.23Å; A78-H80 PolarHBondContact O-ND1 3.24Å
81F98.1Very high94.6Very high6 Ų658.5 Ų58.53%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-89.4124.1173.3-175.4-90.7000110.4A24 L26 L37 F40 L69 R70A24-F81 HydrophobicContact CB-CD2 4.25Å; A24-F81 HydrophobicContact CB-CE2 4.12Å; L26-F81 HydrophobicContact CB-CD1 3.69Å; L26-F81 HydrophobicContact CB-CD2 3.85Å; L26-F81 HydrophobicContact CB-CE1 3.45Å; L26-F81 VanDerWaalsContact CB-CE1 3.45Å; L26-F81 HydrophobicContact CB-CE2 3.62Å; L26-F81 HydrophobicContact CB-CG 3.88Å; L26-F81 HydrophobicContact CB-CZ 3.41Å; L26-F81 VanDerWaalsContact CB-CZ 3.41Å; L26-F81 HydrophobicContact CD2-CD1 3.56Å; L26-F81 HydrophobicContact CD2-CE1 3.87Å; L26-F81 HydrophobicContact CD2-CG 4.12Å; L26-F81 HydrophobicContact CG-CD1 4.21Å; L26-F81 HydrophobicContact CG-CE1 4.3Å; L26-F81 HydrophobicContact CG-CG 4.47Å; L37-F81 HydrophobicContact CB-CE1 4.34Å; L37-F81 HydrophobicContact CB-CZ 4.32Å; F40-F81 WeakPolarHBondContact O-CA 3.42Å; L69-F81 HydrophobicContact CB-CD1 4.25Å; L69-F81 HydrophobicContact CD1-CD1 4.46Å; L69-F81 HydrophobicContact CD1-CE1 4.34Å; L69-F81 PolarHBondContact N-O 3.44Å; R70-F81 HydrophobicContact CB-CB 4.22Å; R70-F81 PolarHBondContact O-N 3.06Å
82V97.8Very high94.7Very high0 Ų058.9 Ų58.90%034%0.341CS..EExtended strand (participates in β ladder)trans-130.4156.9-178.2-64.70000111.4G39 F40 V42 I63 V66 V68 S84G39-V82 CarbonylContact C-O 3.51Å; G39-V82 VanDerWaalsContact CA-O 3.29Å; G39-V82 WeakPolarHBondContact CA-O 3.23Å; F40-V82 HydrophobicContact CB-CG2 4.01Å; F40-V82 PolarHBondContact N-O 3.08Å; F40-V82 PolarHBondContact O-N 3.28Å; V42-V82 HydrophobicContact CG2-CG2 3.6Å; I63-V82 HydrophobicContact CD1-CG1 4.27Å; V66-V82 HydrophobicContact CG1-CB 3.7Å; V66-V82 HydrophobicContact CG1-CG1 4.09Å; V66-V82 HydrophobicContact CG1-CG2 4.32Å; V68-V82 HydrophobicContact CB-CG1 4.47Å; V68-V82 HydrophobicContact CG2-CG1 3.89Å; V82-S84 WeakPolarHBondContact CG2-O 3.46Å
83T94.2Very high94.9Very high68 Ų6864.3 Ų64.342%0.41736%0.359SS..SBendtrans-84.5-17.6-17953.50000114.2L69L69-T83 HydrophobicContact CD1-CG2 3.61Å; L69-T83 HydrophobicContact CG-CG2 4.34Å
84S96.3Very high95.2Very high56 Ų5658.6 Ų58.639%0.39234%0.337SS..SBendtrans-130.7145.1-176-56.70000109.9V82V82-S84 WeakPolarHBondContact CG2-O 3.46Å
85P96.2Very high95.7Very high82 Ų8255.4 Ų55.453%0.53233%0.325SS..  trans-68.4150.6-178.329.7-33000110.5F40F40-P85 HydrophobicContact CD1-CB 4.05Å; F40-P85 HydrophobicContact CD2-CB 4.17Å; F40-P85 HydrophobicContact CE1-CB 3.85Å; F40-P85 HydrophobicContact CE1-CG 4.48Å; F40-P85 HydrophobicContact CE2-CB 4.01Å; F40-P85 VanDerWaalsContact CE2-CD 3.45Å; F40-P85 HydrophobicContact CE2-CG 4.12Å; F40-P85 HydrophobicContact CG-CB 4.21Å; F40-P85 HydrophobicContact CZ-CB 3.84Å; F40-P85 HydrophobicContact CZ-CG 4.01Å
86V96.3Very high96.3Very high13 Ų1353 Ų538%0.07930%0.299CS..  trans-118.4138.3173.8-1680000107.9V18 C21 V42 I63 V66 V88 V92V18-V86 HydrophobicContact CG2-CB 4.45Å; V18-V86 HydrophobicContact CG2-CG1 3.67Å; C21-V86 VanDerWaalsContact CB-O 3.28Å; C21-V86 WeakPolarHBondContact CB-O 3.31Å; C21-V86 PolarHBondContact SG-N 3.48Å; C21-V86 VanDerWaalsContact SG-N 3.45Å; V42-V86 HydrophobicContact CG2-CB 4.44Å; V42-V86 HydrophobicContact CG2-CG2 4.15Å; I63-V86 HydrophobicContact CG2-CG1 4.24Å; I63-V86 HydrophobicContact CG2-CG2 4.34Å; V66-V86 HydrophobicContact CB-CG2 4.48Å; V66-V86 HydrophobicContact CG2-CG2 4.24Å; V86-V88 PolarHBondContact O-N 2.98Å; V86-V92 HydrophobicContact CG1-CG1 3.91Å
87E97.1Very high96.9Very high140 Ų14051.8 Ų51.865%0.65429%0.287SS*.  trans-67.4127.9-174.8-174.6176.8177.600111.4V18 Q90V18-E87 WeakPolarHBondContact CB-O 3.48Å; E87-Q90 HydrophobicContact CB-CB 4.03Å; E87-Q90 HydrophobicContact CG-CB 4.46Å; E87-Q90 WeakPolarHBondContact O-CB 3.46Å; E87-Q90 PolarHBondContact O-N 3.42Å
88V97.7Very high97.2Very high84 Ų8451.1 Ų51.151%0.50928%0.279SS..THydrogen-bonded Turntrans-70.5135.5179.7177.80000110.1V18 V19 C21 V86 Q90V18-V88 HydrophobicContact CG1-CG2 4.46Å; V19-V88 WeakPolarHBondContact O-CG1 3.41Å; C21-V88 HydrophobicContact CB-CG2 3.98Å; V86-V88 PolarHBondContact O-N 2.98Å; V88-Q90 PolarHBondContact O-N 3.11Å
89G96.6Very high97.4Very high61 Ų6156.3 Ų56.363%0.62930%0.302SS*.THydrogen-bonded Turntrans84.1-10.3-17500000114V18V18-G89 WeakPolarHBondContact O-CA 3.35Å; V18-G89 PolarHBondContact O-N 3.02Å
90Q95.8Very high97.3Very high86 Ų8659.2 Ų59.240%0.40231%0.312SS..  trans-68.9140.7176.9-167.8-173.10.800111.1S17 V18 E87 V88 V92S17-Q90 WeakPolarHBondContact CA-O 3.3Å; V18-Q90 PolarHBondContact N-O 2.73Å; E87-Q90 HydrophobicContact CB-CB 4.03Å; E87-Q90 HydrophobicContact CG-CB 4.46Å; E87-Q90 WeakPolarHBondContact O-CB 3.46Å; E87-Q90 PolarHBondContact O-N 3.42Å; V88-Q90 PolarHBondContact O-N 3.11Å; Q90-V92 HydrophobicContact CB-CG1 4.36Å; Q90-V92 HydrophobicContact CG-CG1 4.16Å
91E97.9Very high97.3Very high139 Ų13959.1 Ų59.165%0.6531%0.312SS*.EExtended strand (participates in β ladder)trans-79.8125.8164.8-172.8175.191.700109.9V15 T16V15-E91 HydrophobicContact CG1-CG 3.29Å; V15-E91 WeakPolarHBondContact CG1-OE1 3.24Å; T16-E91 WeakPolarHBondContact O-CA 3.5Å
92V97.8Very high97.3Very high8 Ų860.9 Ų60.95%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-128.8143-173.6-65.90000110.7V15 T16 V18 L44 I63 V86 Q90V15-V92 WeakPolarHBondContact CA-O 3.31Å; T16-V92 HydrophobicContact CG2-CG2 4.15Å; T16-V92 PolarHBondContact N-O 3.3Å; T16-V92 PolarHBondContact O-N 3.48Å; V18-V92 HydrophobicContact CG2-CB 4.44Å; V18-V92 HydrophobicContact CG2-CG1 3.76Å; V18-V92 HydrophobicContact CG2-CG2 3.75Å; L44-V92 HydrophobicContact CD2-CG2 4.04Å; I63-V92 HydrophobicContact CG2-CB 4Å; I63-V92 HydrophobicContact CG2-CG1 4.37Å; I63-V92 HydrophobicContact CG2-CG2 3.7Å; V86-V92 HydrophobicContact CG1-CG1 3.91Å; Q90-V92 HydrophobicContact CB-CG1 4.36Å; Q90-V92 HydrophobicContact CG-CG1 4.16Å
93R98.4Very high97.3Very high139 Ų13962.2 Ų62.253%0.52533%0.327SS..EExtended strand (participates in β ladder)trans-85.8123169.2-176.3-178.1-62-161.88.6109.4E13 G64E13-R93 WeakPolarHBondContact OE2-CD 3.45Å; E13-R93 IonicContact OE2-CZ 3.23Å; E13-R93 IonicContact OE2-NE 3.79Å; E13-R93 IonicContact OE2-NH1 2.79Å; E13-R93 PolarHBondContact OE2-NH1 3.45Å; G64-R93 PolarHBondContact N-O 2.78Å
94V98.5Very high97.5Very high0 Ų059.2 Ų59.20%031%0.308CS..EExtended strand (participates in β ladder)trans-96.1131.5171.6-174.30000108.4E13 F14 T16 L44 I48 L49 L62 I63E13-V94 CarbonylContact C-O 3.54Å; E13-V94 VanDerWaalsContact CA-O 3.27Å; E13-V94 WeakPolarHBondContact CA-O 3.3Å; F14-V94 PolarHBondContact N-O 3.22Å; F14-V94 PolarHBondContact O-N 3.44Å; T16-V94 HydrophobicContact CG2-CG2 3.7Å; L44-V94 HydrophobicContact CD1-CG2 3.61Å; I48-V94 HydrophobicContact CD1-CG1 4.39Å; I48-V94 HydrophobicContact CG1-CB 4.1Å; I48-V94 HydrophobicContact CG1-CG1 3.73Å; L49-V94 HydrophobicContact CD1-CG1 3.94Å; L49-V94 HydrophobicContact CD2-CG1 4.17Å; L49-V94 HydrophobicContact CG-CG1 3.7Å; L62-V94 CarbonylContact O-C 3.58Å; L62-V94 VanDerWaalsContact O-CA 3.28Å; L62-V94 WeakPolarHBondContact O-CA 3.15Å; I63-V94 HydrophobicContact CG1-CG2 4.43Å
95T98.6Very high97.6Very high39 Ų3956.6 Ų56.624%0.23929%0.289CS..EExtended strand (participates in β ladder)trans-125.1130.6177.3-53.10000109.4K12 E13 G61 L62K12-T95 WeakPolarHBondContact O-CA 3.13Å; E13-T95 HydrophobicContact CG-CG2 4.14Å; G61-T95 CarbonylContact C-O 3.43Å; G61-T95 WeakPolarHBondContact CA-O 3.34Å; L62-T95 PolarHBondContact N-O 2.94Å; L62-T95 PolarHBondContact O-N 3.36Å
96V98.4Very high97.7Very high10 Ų1052.7 Ų52.76%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-86.5143.9179.2730000111.8K12 L49 D59 W98 R101K12-V96 HydrophobicContact CB-CG1 4.22Å; K12-V96 PolarHBondContact O-N 3.2Å; L49-V96 HydrophobicContact CD2-CB 3.9Å; L49-V96 HydrophobicContact CD2-CG2 3.81Å; D59-V96 HydrophobicContact CB-CG2 4.18Å; V96-W98 HydrophobicContact CG1-CE3 4.13Å; V96-W98 PolarHBondContact O-N 3.01Å; V96-R101 HydrophobicContact CG2-CB 3.8Å; V96-R101 HydrophobicContact CG2-CG 4.38Å
97D98.3Very high97.8Very high68 Ų6852.1 Ų52.136%0.36426%0.261SS..  trans-65.997.6159.9178.2-11.8000108.7H60 E99 R100 R101H60-D97 HydrophobicContact CB-CB 4.4Å; H60-D97 PolarHBondContact O-N 3.23Å; D97-E99 PolarHBondContact O-N 2.76Å; D97-E99 PolarHBondContact OD1-N 3.25Å; D97-R100 HydrophobicContact CB-CB 4.12Å; D97-R100 PolarHBondContact O-N 3.36Å; D97-R100 PolarHBondContact OD1-N 3.2Å; D97-R101 WeakPolarHBondContact O-CB 3.45Å; D97-R101 PolarHBondContact O-N 3.1Å
98W98.1Very high97.8Very high61 Ų6145.5 Ų45.523%0.23123%0.23CC..Hα-helixtrans-68.2-33.2-172.9-177.8-107.3000113.4Y10 K12 V96 R100 R101 F102 M105Y10-W98 AromaticContact CD1-CH2 3.68Å; Y10-W98 HydrophobicContact CD1-CH2 3.68Å; Y10-W98 HydrophobicContact CD1-CZ2 4.09Å; Y10-W98 HydrophobicContact CE1-CH2 4.14Å; Y10-W98 HydrophobicContact CE1-CZ2 4.3Å; Y10-W98 HydrophobicContact CG-CH2 4.14Å; K12-W98 HydrophobicContact CD-CB 4.38Å; K12-W98 HydrophobicContact CD-CD2 3.82Å; K12-W98 HydrophobicContact CD-CE3 3.98Å; K12-W98 HydrophobicContact CD-CG 3.97Å; K12-W98 VanDerWaalsContact CE-CD2 3.41Å; K12-W98 VanDerWaalsContact CE-CE2 3.46Å; K12-W98 HydrophobicContact CG-CD2 4.14Å; K12-W98 HydrophobicContact CG-CE3 3.75Å; K12-W98 HydrophobicContact CG-CZ3 4.16Å; V96-W98 HydrophobicContact CG1-CE3 4.13Å; V96-W98 PolarHBondContact O-N 3.01Å; W98-R100 VanDerWaalsContact C-N 3.33Å; W98-R101 HydrophobicContact CE3-CB 4.32Å; W98-R101 HydrophobicContact CE3-CG 3.99Å; W98-R101 HydrophobicContact CZ3-CG 3.84Å; W98-F102 HydrophobicContact CD2-CB 4.41Å; W98-F102 HydrophobicContact CH2-CD2 4.14Å; W98-F102 HydrophobicContact CZ2-CB 4.08Å; W98-F102 AromaticContact CZ2-CD2 3.58Å; W98-F102 HydrophobicContact CZ2-CD2 3.58Å; W98-F102 HydrophobicContact CZ2-CE2 4.36Å; W98-F102 HydrophobicContact CZ2-CG 4.08Å; W98-F102 WeakPolarHBondContact O-CB 3.49Å; W98-F102 PolarHBondContact O-N 3.22Å; W98-M105 HydrophobicContact CH2-SD 4.29Å; W98-M105 HydrophobicContact CZ3-SD 4.47Å
99E97.2Very high97.8Very high118 Ų11841.5 Ų41.555%0.55121%0.205SC*.Hα-helixtrans-63.9-44.9177.7-173.1-178171.400109.5D97 D103 K247D97-E99 PolarHBondContact O-N 2.76Å; D97-E99 PolarHBondContact OD1-N 3.25Å; E99-D103 WeakPolarHBondContact O-CB 3.41Å; E99-D103 PolarHBondContact O-N 3.17Å; E99-K247 IonicContact OE1-NZ 2.75Å; E99-K247 PolarHBondContact OE1-NZ 3.36Å
100R96.6Very high97.9Very high64 Ų6438.6 Ų38.624%0.24218%0.175CC..Hα-helixtrans-62.8-51.7175.7179.3175-178.876-6.3112.1D58 D97 W98 F102 D103 H104D58-R100 VanDerWaalsContact O-CZ 3.23Å; D58-R100 PolarHBondContact O-NE 2.92Å; D58-R100 PolarHBondContact O-NH2 2.8Å; D58-R100 IonicContact OD1-NH2 3.71Å; D58-R100 PolarHBondContact OD1-NH2 3.25Å; D97-R100 HydrophobicContact CB-CB 4.12Å; D97-R100 PolarHBondContact O-N 3.36Å; D97-R100 PolarHBondContact OD1-N 3.2Å; W98-R100 VanDerWaalsContact C-N 3.33Å; R100-F102 VanDerWaalsContact C-N 3.34Å; R100-F102 PolarHBondContact O-N 3.27Å; R100-D103 PolarHBondContact O-N 3.27Å; R100-H104 PolarHBondContact NE-CE1 3.42Å; R100-H104 PolarHBondContact O-N 2.93Å
101R97.8Very high98Very high0 Ų034.6 Ų34.60%016%0.157CC..Hα-helixtrans-57.5-48.4-179.6165.158.37574.80.4111.3C5 C9 I48 D59 V96 D97 W98 H104 M105C5-R101 VanDerWaalsContact CB-NH2 3.33Å; C9-R101 PolarHBondContact O-NH1 2.63Å; I48-R101 PolarHBondContact O-NH2 3.43Å; D59-R101 VanDerWaalsContact CG-NE 3.32Å; D59-R101 IonicContact OD1-NE 3.05Å; D59-R101 PolarHBondContact OD1-NE 3.44Å; D59-R101 IonicContact OD2-CZ 3.11Å; D59-R101 IonicContact OD2-NE 2.73Å; D59-R101 PolarHBondContact OD2-NE 3.02Å; D59-R101 IonicContact OD2-NH2 3.31Å; D59-R101 PolarHBondContact OD2-NH2 3.43Å; V96-R101 HydrophobicContact CG2-CB 3.8Å; V96-R101 HydrophobicContact CG2-CG 4.38Å; D97-R101 WeakPolarHBondContact O-CB 3.45Å; D97-R101 PolarHBondContact O-N 3.1Å; W98-R101 HydrophobicContact CE3-CB 4.32Å; W98-R101 HydrophobicContact CE3-CG 3.99Å; W98-R101 HydrophobicContact CZ3-CG 3.84Å; R101-H104 PolarHBondContact O-N 3.26Å; R101-M105 VanDerWaalsContact CD-SD 3.56Å; R101-M105 HydrophobicContact CG-CG 4.49Å; R101-M105 HydrophobicContact CG-SD 3.72Å; R101-M105 WeakPolarHBondContact O-CG 3.44Å; R101-M105 PolarHBondContact O-N 2.86Å
102F98.3Very high97.9Very high43 Ų4328.4 Ų28.419%0.18913%0.128CC..Hα-helixtrans-67.2-38.9-177-168.6-112.6000111.5Y10 W98 R100 H104 M105 Q106 V213 H218Y10-F102 HydrophobicContact CE1-CE2 4.37Å; W98-F102 HydrophobicContact CD2-CB 4.41Å; W98-F102 HydrophobicContact CH2-CD2 4.14Å; W98-F102 HydrophobicContact CZ2-CB 4.08Å; W98-F102 AromaticContact CZ2-CD2 3.58Å; W98-F102 HydrophobicContact CZ2-CD2 3.58Å; W98-F102 HydrophobicContact CZ2-CE2 4.36Å; W98-F102 HydrophobicContact CZ2-CG 4.08Å; W98-F102 WeakPolarHBondContact O-CB 3.49Å; W98-F102 PolarHBondContact O-N 3.22Å; R100-F102 VanDerWaalsContact C-N 3.34Å; R100-F102 PolarHBondContact O-N 3.27Å; F102-H104 PolarHBondContact O-N 3.01Å; F102-M105 PolarHBondContact O-N 2.95Å; F102-Q106 HydrophobicContact CD1-CG 4.31Å; F102-Q106 HydrophobicContact CE1-CG 4.08Å; F102-Q106 VanDerWaalsContact CE1-NE2 3.32Å; F102-Q106 HydrophobicContact CZ-CG 4.29Å; F102-Q106 WeakPolarHBondContact O-CB 3.07Å; F102-Q106 VanDerWaalsContact O-CG 3.31Å; F102-Q106 WeakPolarHBondContact O-CG 3.49Å; F102-Q106 PolarHBondContact O-N 2.95Å; F102-V213 HydrophobicContact CE2-CG1 4.43Å; F102-H218 HydrophobicContact CE2-CB 4.33Å; F102-H218 HydrophobicContact CZ-CB 4.11Å
103D98.3Very high98Very high28 Ų2828 Ų2815%0.1513%0.126CC..Hα-helixtrans-57.5-47.7171.1174.863.3000111.7E99 R100 M105 Q106 Q107 R244E99-D103 WeakPolarHBondContact O-CB 3.41Å; E99-D103 PolarHBondContact O-N 3.17Å; R100-D103 PolarHBondContact O-N 3.27Å; D103-M105 PolarHBondContact O-N 3Å; D103-Q106 WeakPolarHBondContact O-CB 3.29Å; D103-Q106 PolarHBondContact O-N 3.5Å; D103-Q107 VanDerWaalsContact O-CG 3.28Å; D103-Q107 WeakPolarHBondContact O-CG 3.49Å; D103-Q107 PolarHBondContact O-N 3.44Å; D103-Q107 PolarHBondContact O-NE2 2.81Å; D103-Q107 PolarHBondContact OD1-NE2 3.44Å; D103-R244 WeakPolarHBondContact OD1-CG 3.42Å; D103-R244 IonicContact OD1-CZ 2.59Å; D103-R244 IonicContact OD1-NE 3.67Å; D103-R244 PolarHBondContact OD1-NE 3.08Å; D103-R244 IonicContact OD1-NH2 2.69Å; D103-R244 IonicContact OD2-CZ 2.81Å; D103-R244 IonicContact OD2-NE 2.92Å; D103-R244 PolarHBondContact OD2-NE 3.05Å; D103-R244 VanDerWaalsContact OD2-NE 3.15Å; D103-R244 IonicContact OD2-NH2 3.61Å; D103-R244 PolarHBondContact OD2-NH2 3.48Å
104H97.6Very high98Very high5 Ų521.4 Ų21.42%0.02310%0.101CC..Hα-helixtrans-61.3-44.4177.6-67.3171.3000112.4Q56 D58 D59 R100 R101 F102 Q106 Q107 H108Q56-H104 HydrophobicContact CG-CB 4.17Å; D58-H104 PolarHBondContact O-CE1 3.11Å; D59-H104 IonicContact OD1-ND1 3.97Å; R100-H104 PolarHBondContact NE-CE1 3.42Å; R100-H104 PolarHBondContact O-N 2.93Å; R101-H104 PolarHBondContact O-N 3.26Å; F102-H104 PolarHBondContact O-N 3.01Å; H104-Q106 VanDerWaalsContact C-N 3.28Å; H104-Q106 PolarHBondContact O-N 3.07Å; H104-Q107 PolarHBondContact O-N 3.42Å; H104-H108 VanDerWaalsContact O-CB 3.29Å; H104-H108 WeakPolarHBondContact O-CB 3.22Å; H104-H108 PolarHBondContact O-N 2.86Å
105M97.7Very high97.9Very high0 Ų021.5 Ų21.50%010%0.101CC..Hα-helixtrans-59.2-40.8175.3-72163.764.900111.9C9 Y10 W98 R101 F102 D103 S109 T211 H212 V213C9-M105 HydrophobicContact CB-CE 3.87Å; C9-M105 HydrophobicContact CB-SD 4.2Å; Y10-M105 HydrophobicContact CD2-CE 3.71Å; Y10-M105 HydrophobicContact CE1-CE 4.22Å; Y10-M105 HydrophobicContact CE2-CE 3.2Å; Y10-M105 HydrophobicContact CG-CE 4.36Å; W98-M105 HydrophobicContact CH2-SD 4.29Å; W98-M105 HydrophobicContact CZ3-SD 4.47Å; R101-M105 VanDerWaalsContact CD-SD 3.56Å; R101-M105 HydrophobicContact CG-CG 4.49Å; R101-M105 HydrophobicContact CG-SD 3.72Å; R101-M105 WeakPolarHBondContact O-CG 3.44Å; R101-M105 PolarHBondContact O-N 2.86Å; F102-M105 PolarHBondContact O-N 2.95Å; D103-M105 PolarHBondContact O-N 3Å; M105-S109 VanDerWaalsContact O-CB 3.25Å; M105-S109 WeakPolarHBondContact O-CB 3.39Å; M105-S109 PolarHBondContact O-N 3.35Å; M105-S109 PolarHBondContact O-OG 3.48Å; M105-T211 VanDerWaalsContact CG-OG1 3.32Å; M105-T211 WeakPolarHBondContact CG-OG1 3.5Å; M105-H212 WeakPolarHBondContact CE-O 3.44Å; M105-V213 HydrophobicContact CB-CG1 4.05Å; M105-V213 HydrophobicContact CE-CG1 4.48Å
106Q98.5Very high97.9Very high1 Ų120.1 Ų20.11%0.0059%0.094CC..Hα-helixtrans-63.6-51.8175.8-76-176.5-37.700111.1F102 D103 H104 H108 G110 V213 H218 L219 T241F102-Q106 HydrophobicContact CD1-CG 4.31Å; F102-Q106 HydrophobicContact CE1-CG 4.08Å; F102-Q106 VanDerWaalsContact CE1-NE2 3.32Å; F102-Q106 HydrophobicContact CZ-CG 4.29Å; F102-Q106 WeakPolarHBondContact O-CB 3.07Å; F102-Q106 VanDerWaalsContact O-CG 3.31Å; F102-Q106 WeakPolarHBondContact O-CG 3.49Å; F102-Q106 PolarHBondContact O-N 2.95Å; D103-Q106 WeakPolarHBondContact O-CB 3.29Å; D103-Q106 PolarHBondContact O-N 3.5Å; H104-Q106 VanDerWaalsContact C-N 3.28Å; H104-Q106 PolarHBondContact O-N 3.07Å; Q106-H108 VanDerWaalsContact C-N 3.33Å; Q106-H108 PolarHBondContact O-N 3.13Å; Q106-G110 PolarHBondContact O-N 3.47Å; Q106-V213 HydrophobicContact CG-CG1 4.49Å; Q106-H218 PolarHBondContact NE2-O 3.33Å; Q106-L219 HydrophobicContact CB-CD2 4.29Å; Q106-L219 HydrophobicContact CG-CD2 4.39Å; Q106-L219 WeakPolarHBondContact O-CD2 3.21Å; Q106-T241 HydrophobicContact CB-CG2 4.02Å; Q106-T241 WeakPolarHBondContact O-CG2 3.21Å
107Q98.2Very high97.9Very high1 Ų120.5 Ų20.51%0.00510%0.095CC..Hα-helixtrans-64.2-39.4-178.6-54.1-36.1-5400112.3D103 H104 Q111 L131 T241D103-Q107 VanDerWaalsContact O-CG 3.28Å; D103-Q107 WeakPolarHBondContact O-CG 3.49Å; D103-Q107 PolarHBondContact O-N 3.44Å; D103-Q107 PolarHBondContact O-NE2 2.81Å; D103-Q107 PolarHBondContact OD1-NE2 3.44Å; H104-Q107 PolarHBondContact O-N 3.42Å; Q107-Q111 WeakPolarHBondContact O-CB 3.47Å; Q107-Q111 PolarHBondContact O-N 3.47Å; Q107-L131 HydrophobicContact CB-CD1 4.46Å; Q107-L131 HydrophobicContact CB-CD2 4Å; Q107-T241 PolarHBondContact NE2-O 3.12Å; Q107-T241 VanDerWaalsContact OE1-CB 3.27Å; Q107-T241 PolarHBondContact OE1-OG1 2.96Å
108H97.3Very high97.9Very high0 Ų017.3 Ų17.30%08%0.078CC..Hα-helixtrans-70.5-48.5-178.5-161.1164.2000111.4Q56 H104 Q106 G110 Q111 H112 W129 L131 C208 H212Q56-H108 PolarHBondContact OE1-ND1 3.49Å; H104-H108 VanDerWaalsContact O-CB 3.29Å; H104-H108 WeakPolarHBondContact O-CB 3.22Å; H104-H108 PolarHBondContact O-N 2.86Å; Q106-H108 VanDerWaalsContact C-N 3.33Å; Q106-H108 PolarHBondContact O-N 3.13Å; H108-G110 VanDerWaalsContact C-N 3.29Å; H108-G110 PolarHBondContact O-N 3.11Å; H108-Q111 VanDerWaalsContact O-CB 3.32Å; H108-Q111 WeakPolarHBondContact O-CB 3.47Å; H108-Q111 PolarHBondContact O-N 3.38Å; H108-Q111 VanDerWaalsContact O-N 3.1Å; H108-H112 AromaticContact CD2-CD2 3.46Å; H108-H112 PolarHBondContact CD2-CD2 3.33Å; H108-H112 VanDerWaalsContact CD2-CD2 3.46Å; H108-H112 AromaticContact CD2-NE2 3.41Å; H108-H112 PolarHBondContact CD2-NE2 2.9Å; H108-H112 AromaticContact NE2-CD2 3.82Å; H108-H112 AromaticContact NE2-NE2 3.23Å; H108-H112 PolarHBondContact NE2-NE2 2.62Å; H108-H112 PolarHBondContact O-CD2 3.02Å; H108-H112 VanDerWaalsContact O-CD2 3.29Å; H108-H112 PolarHBondContact O-N 3.43Å; H108-H112 VanDerWaalsContact O-N 3.13Å; H108-W129 AromaticContact CD2-CH2 4Å; H108-W129 AromaticContact CE1-CH2 3.85Å; H108-W129 AromaticContact NE2-CH2 3.47Å; H108-W129 WeakPolarHBondContact NE2-CH2 3.45Å; H108-W129 AromaticContact NE2-CZ2 3.68Å; H108-L131 HydrophobicContact CB-CD1 3.73Å; H108-C208 PolarHBondContact CE1-SG 2.82Å; H108-C208 PolarHBondContact NE2-SG 2.94Å; H108-H212 AromaticContact CD2-CE1 3.56Å; H108-H212 AromaticContact CE1-NE2 3.86Å; H108-H212 AromaticContact CG-CE1 3.63Å; H108-H212 AromaticContact ND1-CE1 3.97Å; H108-H212 AromaticContact ND1-NE2 3.89Å; H108-H212 AromaticContact NE2-CE1 3.86Å; H108-H212 AromaticContact NE2-NE2 3.94Å
109S97.8Very high97.9Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-65.8-36.1177.3-50.80000111.4M105 Q111 H112 L113 M200 H212 V213M105-S109 VanDerWaalsContact O-CB 3.25Å; M105-S109 WeakPolarHBondContact O-CB 3.39Å; M105-S109 PolarHBondContact O-N 3.35Å; M105-S109 PolarHBondContact O-OG 3.48Å; S109-Q111 VanDerWaalsContact C-N 3.3Å; S109-Q111 PolarHBondContact O-N 3.25Å; S109-H112 PolarHBondContact O-N 3.42Å; S109-L113 PolarHBondContact O-N 3.09Å; S109-M200 WeakPolarHBondContact O-CE 3.36Å; S109-H212 WeakPolarHBondContact OG-CA 3.48Å; S109-H212 PolarHBondContact OG-ND1 3.4Å; S109-H212 VanDerWaalsContact OG-ND1 3.12Å; S109-V213 PolarHBondContact OG-N 2.83Å; S109-V213 VanDerWaalsContact OG-N 3.1Å
110G98.2Very high97.9Very high0 Ų015.3 Ų15.30%09%0.088CC..Hα-helixtrans-59.3-41170.900000112.5Q106 H108 L113 I114Q106-G110 PolarHBondContact O-N 3.47Å; H108-G110 VanDerWaalsContact C-N 3.29Å; H108-G110 PolarHBondContact O-N 3.11Å; G110-L113 PolarHBondContact O-N 3.33Å; G110-I114 WeakPolarHBondContact O-CB 3.34Å; G110-I114 WeakPolarHBondContact O-CD1 3.47Å; G110-I114 WeakPolarHBondContact O-CG1 3.39Å; G110-I114 PolarHBondContact O-N 3.47Å
111Q97.9Very high97.9Very high2 Ų215.4 Ų15.41%0.0099%0.091CC..Hα-helixtrans-58.1-49.4174.1178.9-84.1-57.600112.1Q107 H108 S109 L113 I114 T115 W129 L131 I138 F239Q107-Q111 WeakPolarHBondContact O-CB 3.47Å; Q107-Q111 PolarHBondContact O-N 3.47Å; H108-Q111 VanDerWaalsContact O-CB 3.32Å; H108-Q111 WeakPolarHBondContact O-CB 3.47Å; H108-Q111 PolarHBondContact O-N 3.38Å; H108-Q111 VanDerWaalsContact O-N 3.1Å; S109-Q111 VanDerWaalsContact C-N 3.3Å; S109-Q111 PolarHBondContact O-N 3.25Å; Q111-L113 PolarHBondContact O-N 2.88Å; Q111-I114 PolarHBondContact O-N 3.31Å; Q111-T115 PolarHBondContact NE2-OG1 3.06Å; Q111-T115 WeakPolarHBondContact O-CB 3.49Å; Q111-T115 PolarHBondContact O-N 3.02Å; Q111-T115 PolarHBondContact O-OG1 3.32Å; Q111-W129 HydrophobicContact CG-CB 4.17Å; Q111-W129 HydrophobicContact CG-CD2 4.24Å; Q111-W129 HydrophobicContact CG-CG 4.06Å; Q111-L131 HydrophobicContact CB-CD2 4.27Å; Q111-I138 HydrophobicContact CB-CD1 4.36Å; Q111-I138 HydrophobicContact CG-CD1 3.89Å; Q111-I138 HydrophobicContact CG-CG1 3.97Å; Q111-F239 HydrophobicContact CB-CZ 3.84Å
112H97.4Very high97.9Very high10 Ų1017.5 Ų17.55%0.04610%0.101CC..Hα-helixtrans-62.4-43.3-179.6-78.7-87.6000112.1H108 S109 T115 A116 M200 H212H108-H112 AromaticContact CD2-CD2 3.46Å; H108-H112 PolarHBondContact CD2-CD2 3.33Å; H108-H112 VanDerWaalsContact CD2-CD2 3.46Å; H108-H112 AromaticContact CD2-NE2 3.41Å; H108-H112 PolarHBondContact CD2-NE2 2.9Å; H108-H112 AromaticContact NE2-CD2 3.82Å; H108-H112 AromaticContact NE2-NE2 3.23Å; H108-H112 PolarHBondContact NE2-NE2 2.62Å; H108-H112 PolarHBondContact O-CD2 3.02Å; H108-H112 VanDerWaalsContact O-CD2 3.29Å; H108-H112 PolarHBondContact O-N 3.43Å; H108-H112 VanDerWaalsContact O-N 3.13Å; S109-H112 PolarHBondContact O-N 3.42Å; H112-T115 PolarHBondContact O-N 3.39Å; H112-A116 WeakPolarHBondContact O-CB 3.38Å; H112-A116 PolarHBondContact O-N 3.23Å; H112-M200 HydrophobicContact CB-CE 3.49Å; H112-M200 VanDerWaalsContact CB-CE 3.49Å; H112-M200 HydrophobicContact CB-SD 4.26Å; H112-H212 AromaticContact CD2-CE1 3.36Å; H112-H212 PolarHBondContact CD2-CE1 3.16Å; H112-H212 AromaticContact NE2-CE1 3.54Å
113L98.4Very high97.9Very high0 Ų017.7 Ų17.70%011%0.114CC..Hα-helixtrans-61.6-46.7178.1179.559.9000111.9S109 G110 Q111 A116 L117 V157 K160 I161 M200 I203 L216 L219S109-L113 PolarHBondContact O-N 3.09Å; G110-L113 PolarHBondContact O-N 3.33Å; Q111-L113 PolarHBondContact O-N 2.88Å; L113-A116 PolarHBondContact O-N 3.23Å; L113-L117 HydrophobicContact CD1-CD1 3.95Å; L113-L117 HydrophobicContact CD1-CG 4.35Å; L113-L117 HydrophobicContact CG-CD1 4.36Å; L113-L117 WeakPolarHBondContact O-CG 3.37Å; L113-L117 PolarHBondContact O-N 3.49Å; L113-L117 VanDerWaalsContact O-N 3.14Å; L113-V157 HydrophobicContact CD2-CG1 3.81Å; L113-V157 HydrophobicContact CG-CG1 4.18Å; L113-K160 HydrophobicContact CD1-CB 4.08Å; L113-K160 HydrophobicContact CD1-CG 4.38Å; L113-K160 HydrophobicContact CD2-CB 4.49Å; L113-I161 HydrophobicContact CD2-CD1 4.33Å; L113-I161 HydrophobicContact CD2-CG1 3.9Å; L113-M200 HydrophobicContact CB-SD 4.15Å; L113-I203 HydrophobicContact CD1-CD1 3.89Å; L113-I203 HydrophobicContact CD1-CG2 4.24Å; L113-L216 HydrophobicContact CD1-CD1 3.91Å; L113-L216 HydrophobicContact CD2-CD1 3.97Å; L113-L216 HydrophobicContact CD2-CD2 4.35Å; L113-L219 HydrophobicContact CD2-CD1 4.09Å
114I98.6Very high97.8Very high0 Ų017.9 Ų17.90%011%0.113CC..Hα-helixtrans-62.5-45.3177.3-65162.3000110.2G110 Q111 A116 L117 A118 I138 L153 V157 I222 L224 L237 F239G110-I114 WeakPolarHBondContact O-CB 3.34Å; G110-I114 WeakPolarHBondContact O-CD1 3.47Å; G110-I114 WeakPolarHBondContact O-CG1 3.39Å; G110-I114 PolarHBondContact O-N 3.47Å; Q111-I114 PolarHBondContact O-N 3.31Å; I114-A116 PolarHBondContact O-N 3.42Å; I114-L117 PolarHBondContact O-N 3.13Å; I114-A118 WeakPolarHBondContact O-CB 3.41Å; I114-A118 PolarHBondContact O-N 2.72Å; I114-I138 HydrophobicContact CB-CD1 3.72Å; I114-I138 HydrophobicContact CD1-CD1 4.23Å; I114-I138 HydrophobicContact CG2-CD1 3.61Å; I114-L153 HydrophobicContact CG2-CD2 4.15Å; I114-V157 HydrophobicContact CG1-CG1 4.32Å; I114-V157 HydrophobicContact CG1-CG2 4.05Å; I114-I222 HydrophobicContact CD1-CD1 4.31Å; I114-I222 HydrophobicContact CD1-CG2 3.96Å; I114-I222 HydrophobicContact CG1-CD1 4.36Å; I114-I222 HydrophobicContact CG1-CG2 4.41Å; I114-L224 HydrophobicContact CD1-CD2 3.94Å; I114-L224 HydrophobicContact CG1-CD2 4.44Å; I114-L237 HydrophobicContact CG2-CD2 3.58Å; I114-F239 HydrophobicContact CD1-CB 3.86Å; I114-F239 HydrophobicContact CD1-CD1 4.09Å; I114-F239 HydrophobicContact CD1-CD2 3.48Å; I114-F239 VanDerWaalsContact CD1-CD2 3.48Å; I114-F239 HydrophobicContact CD1-CE2 4.01Å; I114-F239 HydrophobicContact CD1-CG 3.53Å
115T97.8Very high97.7Very high2 Ų223.8 Ų23.81%0.01214%0.139CC..Hα-helixtrans-60.5-46.2179.3-72.80000111.9Q111 H112 L117 A118 D119 T126 R183Q111-T115 PolarHBondContact NE2-OG1 3.06Å; Q111-T115 WeakPolarHBondContact O-CB 3.49Å; Q111-T115 PolarHBondContact O-N 3.02Å; Q111-T115 PolarHBondContact O-OG1 3.32Å; H112-T115 PolarHBondContact O-N 3.39Å; T115-L117 PolarHBondContact O-N 3Å; T115-A118 PolarHBondContact O-N 3.29Å; T115-D119 PolarHBondContact O-N 2.91Å; T115-D119 VanDerWaalsContact O-N 3.1Å; T115-T126 WeakPolarHBondContact CB-OG1 3.42Å; T115-T126 WeakPolarHBondContact CG2-OG1 3.38Å; T115-T126 PolarHBondContact OG1-OG1 3.3Å; T115-R183 VanDerWaalsContact CG2-CZ 3.43Å
116A97.6Very high97.6Very high10 Ų1025.1 Ų25.18%0.08315%0.147CC..Hα-helixtrans-59-48.4179.500000111.7H112 L113 I114 A120 I203 D204H112-A116 WeakPolarHBondContact O-CB 3.38Å; H112-A116 PolarHBondContact O-N 3.23Å; L113-A116 PolarHBondContact O-N 3.23Å; I114-A116 PolarHBondContact O-N 3.42Å; A116-A120 VanDerWaalsContact O-CB 3.3Å; A116-A120 WeakPolarHBondContact O-CB 3.24Å; A116-A120 PolarHBondContact O-N 2.85Å; A116-I203 HydrophobicContact CB-CG2 3.8Å; A116-D204 HydrophobicContact CB-CB 3.53Å
117L98.4Very high97.4Very high18 Ų1826.2 Ų26.29%0.09415%0.154CC..Hα-helixtrans-73.2-35.9-177.9-66.5177.7000112.6L113 I114 T115 D119 A120 M121 L153 A156 V157 K160L113-L117 HydrophobicContact CD1-CD1 3.95Å; L113-L117 HydrophobicContact CD1-CG 4.35Å; L113-L117 HydrophobicContact CG-CD1 4.36Å; L113-L117 WeakPolarHBondContact O-CG 3.37Å; L113-L117 PolarHBondContact O-N 3.49Å; L113-L117 VanDerWaalsContact O-N 3.14Å; I114-L117 PolarHBondContact O-N 3.13Å; T115-L117 PolarHBondContact O-N 3Å; L117-D119 VanDerWaalsContact C-N 3.32Å; L117-D119 PolarHBondContact O-N 3.05Å; L117-A120 PolarHBondContact O-N 2.79Å; L117-M121 HydrophobicContact CB-SD 4.2Å; L117-M121 VanDerWaalsContact O-CB 3.24Å; L117-M121 WeakPolarHBondContact O-CB 3.37Å; L117-M121 WeakPolarHBondContact O-CG 3.14Å; L117-M121 PolarHBondContact O-N 3.19Å; L117-L153 HydrophobicContact CB-CD1 3.73Å; L117-A156 HydrophobicContact CD1-CB 4.34Å; L117-V157 HydrophobicContact CB-CG2 4.5Å; L117-V157 HydrophobicContact CD1-CB 4.26Å; L117-V157 HydrophobicContact CD1-CG2 3.64Å; L117-K160 HydrophobicContact CD1-CG 4.14Å
118A98.3Very high97.2Very high0 Ų027.7 Ų27.70%016%0.164CC..Hα-helixtrans-62.9-39.4175.600000112I114 T115 F122 G123 Y124 L140 L153I114-A118 WeakPolarHBondContact O-CB 3.41Å; I114-A118 PolarHBondContact O-N 2.72Å; T115-A118 PolarHBondContact O-N 3.29Å; A118-F122 PolarHBondContact O-N 2.86Å; A118-G123 PolarHBondContact O-N 2.88Å; A118-Y124 PolarHBondContact O-N 3.12Å; A118-Y124 VanDerWaalsContact O-N 3.13Å; A118-L140 HydrophobicContact CB-CD2 4.27Å; A118-L153 HydrophobicContact CB-CD1 4.28Å; A118-L153 HydrophobicContact CB-CD2 4.03Å
119D97.3Very high97.1Very high52 Ų5230 Ų3028%0.27817%0.173SC..Hα-helixtrans-70.7-48.4174.5-160.712000111.1T115 L117 M121 G123T115-D119 PolarHBondContact O-N 2.91Å; T115-D119 VanDerWaalsContact O-N 3.1Å; L117-D119 VanDerWaalsContact C-N 3.32Å; L117-D119 PolarHBondContact O-N 3.05Å; D119-M121 PolarHBondContact O-N 2.79Å; D119-G123 WeakPolarHBondContact O-CA 3.29Å; D119-G123 PolarHBondContact O-N 3.45Å
120A97.3Very high96.9Very high85 Ų8534.1 Ų34.170%0.70220%0.195SC*.Hα-helixtrans-63.2-40.2-17800000113.9A116 L117A116-A120 VanDerWaalsContact O-CB 3.3Å; A116-A120 WeakPolarHBondContact O-CB 3.24Å; A116-A120 PolarHBondContact O-N 2.85Å; L117-A120 PolarHBondContact O-N 2.79Å
121M97.9Very high96.7Very high66 Ų6634.3 Ų34.333%0.32520%0.196SC..Hα-helixtrans-84.2-35.2-175.8-64170.370.500112.5L117 D119 E152 L153 A156L117-M121 HydrophobicContact CB-SD 4.2Å; L117-M121 VanDerWaalsContact O-CB 3.24Å; L117-M121 WeakPolarHBondContact O-CB 3.37Å; L117-M121 WeakPolarHBondContact O-CG 3.14Å; L117-M121 PolarHBondContact O-N 3.19Å; D119-M121 PolarHBondContact O-N 2.79Å; M121-E152 HydrophobicContact CE-CB 4.44Å; M121-E152 HydrophobicContact CE-CG 3.69Å; M121-L153 HydrophobicContact SD-CD1 4.19Å; M121-A156 HydrophobicContact CE-CB 4.01Å; M121-A156 HydrophobicContact SD-CB 3.8Å
122F97.8Very high96.5Very high45 Ų4535 Ų3520%0.19720%0.203CC..Hα-helixtrans-132.2-2.8-167.4-49.1-61.8000114.6A118 Y124 Q149 E152 L153A118-F122 PolarHBondContact O-N 2.86Å; F122-Y124 HydrophobicContact CB-CD1 4.02Å; F122-Y124 HydrophobicContact CB-CD2 3.56Å; F122-Y124 HydrophobicContact CB-CE1 4Å; F122-Y124 HydrophobicContact CB-CE2 3.53Å; F122-Y124 HydrophobicContact CB-CG 3.81Å; F122-Y124 HydrophobicContact CD2-CD2 4.12Å; F122-Y124 HydrophobicContact CD2-CE2 4.16Å; F122-Y124 HydrophobicContact CG-CD2 4.18Å; F122-Y124 AromaticContact CG-CE2 3.97Å; F122-Y124 HydrophobicContact CG-CE2 3.97Å; F122-Y124 WeakPolarHBondContact O-CD1 3.39Å; F122-Y124 WeakPolarHBondContact O-CE1 3.35Å; F122-Y124 PolarHBondContact O-N 2.85Å; F122-Q149 HydrophobicContact CD1-CG 4.36Å; F122-Q149 HydrophobicContact CE1-CB 4.18Å; F122-Q149 HydrophobicContact CE1-CG 4.04Å; F122-Q149 HydrophobicContact CE2-CB 4.36Å; F122-Q149 HydrophobicContact CZ-CB 4.02Å; F122-Q149 HydrophobicContact CZ-CG 4.39Å; F122-E152 HydrophobicContact CZ-CB 4.29Å; F122-E152 HydrophobicContact CZ-CG 4.44Å; F122-L153 HydrophobicContact CE2-CB 4.11Å
123G96.9Very high96Very high46 Ų4644.5 Ų44.547%0.47424%0.239SC..  trans69.520.2-173.900000113.7A118 D119 K125A118-G123 PolarHBondContact O-N 2.88Å; D119-G123 WeakPolarHBondContact O-CA 3.29Å; D119-G123 PolarHBondContact O-N 3.45Å; G123-K125 PolarHBondContact O-N 2.85Å; G123-K125 VanDerWaalsContact O-N 3.12Å
124Y97.1Very high95.6Very high32 Ų3251.3 Ų51.313%0.12527%0.27CS..  trans-8485.1-177.6-63.8-17.7000111.4A118 F122 L140 T142 V145 Q149A118-Y124 PolarHBondContact O-N 3.12Å; A118-Y124 VanDerWaalsContact O-N 3.13Å; F122-Y124 HydrophobicContact CB-CD1 4.02Å; F122-Y124 HydrophobicContact CB-CD2 3.56Å; F122-Y124 HydrophobicContact CB-CE1 4Å; F122-Y124 HydrophobicContact CB-CE2 3.53Å; F122-Y124 HydrophobicContact CB-CG 3.81Å; F122-Y124 HydrophobicContact CD2-CD2 4.12Å; F122-Y124 HydrophobicContact CD2-CE2 4.16Å; F122-Y124 HydrophobicContact CG-CD2 4.18Å; F122-Y124 AromaticContact CG-CE2 3.97Å; F122-Y124 HydrophobicContact CG-CE2 3.97Å; F122-Y124 WeakPolarHBondContact O-CD1 3.39Å; F122-Y124 WeakPolarHBondContact O-CE1 3.35Å; F122-Y124 PolarHBondContact O-N 2.85Å; Y124-L140 HydrophobicContact CD2-CD1 4.38Å; Y124-T142 HydrophobicContact CD1-CG2 3.93Å; Y124-T142 HydrophobicContact CD2-CG2 4.25Å; Y124-T142 HydrophobicContact CE1-CG2 4.1Å; Y124-T142 HydrophobicContact CE2-CG2 4.4Å; Y124-T142 HydrophobicContact CG-CG2 4.02Å; Y124-V145 HydrophobicContact CD2-CG2 4.35Å; Y124-V145 HydrophobicContact CE2-CG1 4.37Å; Y124-V145 HydrophobicContact CE2-CG2 4.13Å; Y124-Q149 PolarHBondContact OH-NE2 3.43Å; Y124-Q149 PolarHBondContact OH-OE1 2.85Å
125K95.9Very high95.4Very high130 Ų13056.8 Ų56.857%0.56529%0.291SS*.  trans-61.9140.3176.2-63.7-173.7179.7-175.40111.6G123 L140 D141G123-K125 PolarHBondContact O-N 2.85Å; G123-K125 VanDerWaalsContact O-N 3.12Å; K125-L140 CarbonylContact O-C 3.53Å; K125-L140 WeakPolarHBondContact O-CA 3.43Å; K125-D141 HydrophobicContact CB-CB 4.32Å; K125-D141 WeakPolarHBondContact O-CB 3.34Å; K125-D141 PolarHBondContact O-N 3.13Å
126T95.7Very high95.4Very high27 Ų2756.7 Ų56.717%0.16629%0.29CS..EExtended strand (participates in β ladder)trans-83127.9174.5-67.50000111.2T115 I138 E139T115-T126 WeakPolarHBondContact CB-OG1 3.42Å; T115-T126 WeakPolarHBondContact CG2-OG1 3.38Å; T115-T126 PolarHBondContact OG1-OG1 3.3Å; T126-I138 HydrophobicContact CG2-CG2 3.63Å; T126-I138 WeakPolarHBondContact OG1-CG2 3.44Å; T126-E139 CarbonylContact C-O 3.43Å; T126-E139 WeakPolarHBondContact CA-O 3.33Å
127T94.3Very high95.4Very high24 Ų2457.4 Ų57.415%0.14729%0.294CS..EExtended strand (participates in β ladder)trans-107.5-24.3-179.758.60000113.5E139 D141 R185 K234T127-E139 PolarHBondContact N-O 3.29Å; T127-E139 VanDerWaalsContact OG1-CG 3.29Å; T127-E139 WeakPolarHBondContact OG1-CG 3.46Å; T127-E139 PolarHBondContact OG1-O 2.81Å; T127-E139 PolarHBondContact OG1-OE1 3.22Å; T127-D141 HydrophobicContact CG2-CB 3.65Å; T127-R185 PolarHBondContact O-NH2 3.09Å; T127-K234 HydrophobicContact CG2-CD 4.17Å; T127-K234 VanDerWaalsContact CG2-NZ 3.29Å; T127-K234 WeakPolarHBondContact OG1-CD 3.42Å
128S93.8Very high95.4Very high32 Ų3256.6 Ų56.622%0.22429%0.29CS..EExtended strand (participates in β ladder)trans-162.9168.5168.861.60000109.4E139S128-E139 PolarHBondContact O-N 3.45Å; S128-E139 VanDerWaalsContact OG-CB 3.27Å; S128-E139 WeakPolarHBondContact OG-CB 3.29Å; S128-E139 PolarHBondContact OG-OE1 3.12Å
129W94.8Very high95.3Very high48 Ų4856.9 Ų56.918%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-155.416117452.5-98.4000109.3G54 G55 H108 Q111 L131 T137 I138G54-W129 WeakPolarHBondContact O-CH2 3.3Å; G54-W129 WeakPolarHBondContact O-CZ2 3.33Å; G55-W129 VanDerWaalsContact CA-CZ3 3.43Å; G55-W129 WeakPolarHBondContact O-CZ3 3.42Å; H108-W129 AromaticContact CD2-CH2 4Å; H108-W129 AromaticContact CE1-CH2 3.85Å; H108-W129 AromaticContact NE2-CH2 3.47Å; H108-W129 WeakPolarHBondContact NE2-CH2 3.45Å; H108-W129 AromaticContact NE2-CZ2 3.68Å; Q111-W129 HydrophobicContact CG-CB 4.17Å; Q111-W129 HydrophobicContact CG-CD2 4.24Å; Q111-W129 HydrophobicContact CG-CG 4.06Å; W129-L131 HydrophobicContact CE3-CD1 4.39Å; W129-L131 HydrophobicContact CE3-CD2 4.23Å; W129-L131 HydrophobicContact CE3-CG 3.82Å; W129-L131 HydrophobicContact CH2-CD1 4.34Å; W129-L131 HydrophobicContact CZ3-CD1 3.66Å; W129-L131 HydrophobicContact CZ3-CD2 4.31Å; W129-L131 HydrophobicContact CZ3-CG 3.54Å; W129-T137 CarbonylContact C-O 3.47Å; W129-T137 WeakPolarHBondContact CA-O 3.34Å; W129-T137 VanDerWaalsContact CB-O 3.22Å; W129-T137 WeakPolarHBondContact CB-O 3.36Å; W129-I138 HydrophobicContact CB-CG1 4.46Å
130D93.7Very high95.4Very high87 Ų8754.5 Ų54.547%0.46528%0.278SS..EExtended strand (participates in β ladder)trans-143.5130.5177.3176.866.3000109.7G132 S136 T137D130-G132 PolarHBondContact O-N 2.94Å; D130-G132 WeakPolarHBondContact OD2-CA 3.34Å; D130-G132 PolarHBondContact OD2-N 3.04Å; D130-S136 CarbonylContact O-C 3.56Å; D130-S136 VanDerWaalsContact O-CA 3.31Å; D130-S136 WeakPolarHBondContact O-CA 3.42Å; D130-T137 PolarHBondContact N-O 3.2Å; D130-T137 PolarHBondContact O-N 2.85Å
131L94.8Very high95.4Very high5 Ų554.7 Ų54.73%0.02627%0.267CS..  trans-98.765.5175.9-57.7180000109.8Q56 Q107 H108 Q111 W129 F239Q56-L131 HydrophobicContact CB-CD1 4.21Å; Q56-L131 HydrophobicContact CG-CD1 4.41Å; Q107-L131 HydrophobicContact CB-CD1 4.46Å; Q107-L131 HydrophobicContact CB-CD2 4Å; H108-L131 HydrophobicContact CB-CD1 3.73Å; Q111-L131 HydrophobicContact CB-CD2 4.27Å; W129-L131 HydrophobicContact CE3-CD1 4.39Å; W129-L131 HydrophobicContact CE3-CD2 4.23Å; W129-L131 HydrophobicContact CE3-CG 3.82Å; W129-L131 HydrophobicContact CH2-CD1 4.34Å; W129-L131 HydrophobicContact CZ3-CD1 3.66Å; W129-L131 HydrophobicContact CZ3-CD2 4.31Å; W129-L131 HydrophobicContact CZ3-CG 3.54Å; L131-F239 HydrophobicContact CD2-CZ 4.04Å
132G91.9Very high95.3Very high15 Ų1552.1 Ų52.116%0.15526%0.256CS..  trans-58.7161.8-178.800000113.5D130 H134 R135 R244D130-G132 PolarHBondContact O-N 2.94Å; D130-G132 WeakPolarHBondContact OD2-CA 3.34Å; D130-G132 PolarHBondContact OD2-N 3.04Å; G132-H134 VanDerWaalsContact C-N 3.33Å; G132-H134 PolarHBondContact O-N 3.39Å; G132-R135 CarbonylContact C-O 3.54Å; G132-R135 WeakPolarHBondContact CA-O 3.5Å; G132-R135 PolarHBondContact N-O 2.74Å; G132-R244 PolarHBondContact O-NH1 2.86Å; G132-R244 PolarHBondContact O-NH2 3.4Å
133R88.1Confident95.3Very high211 Ų21154.6 Ų54.680%0.79628%0.276SS*.SBendtrans-59.5-37.3-174.1-171.7-177.6-174.3-164.33.8114.4R244R133-R244 PolarHBondContact O-NH2 2.87Å
134H89.6Confident95.2Very high143 Ų14355.7 Ų55.766%0.66228%0.276SS*.SBendtrans-110.8-37-175.2-62.7-55.6000113G132 L240G132-H134 VanDerWaalsContact C-N 3.33Å; G132-H134 PolarHBondContact O-N 3.39Å; H134-L240 VanDerWaalsContact O-CD2 3.23Å; H134-L240 WeakPolarHBondContact O-CD2 3.4Å
135R94.6Very high95.2Very high114 Ų11455.1 Ų55.143%0.4328%0.276SS..  trans-138.1145.1179.865.3-173-173.6163.511.2108.8G132 E228 I238 L240G132-R135 CarbonylContact C-O 3.54Å; G132-R135 WeakPolarHBondContact CA-O 3.5Å; G132-R135 PolarHBondContact N-O 2.74Å; R135-E228 IonicContact CZ-OE1 3.06Å; R135-E228 VanDerWaalsContact CZ-OE1 3.28Å; R135-E228 IonicContact NH1-OE1 3.68Å; R135-E228 PolarHBondContact NH1-OE1 3.41Å; R135-E228 IonicContact NH2-OE1 2.58Å; R135-E228 PolarHBondContact NH2-OE1 3.26Å; R135-E228 IonicContact NH2-OE2 2.91Å; R135-E228 PolarHBondContact NH2-OE2 3.41Å; R135-I238 HydrophobicContact CB-CG2 3.99Å; R135-I238 HydrophobicContact CG-CG2 4.27Å; R135-L240 HydrophobicContact CB-CD2 4.16Å
136S97.7Very high95.2Very high0 Ų056 Ų560%028%0.28CS..EExtended strand (participates in β ladder)trans-105.8155.5175.4-63.50000109.9D130 I238 F239D130-S136 CarbonylContact O-C 3.56Å; D130-S136 VanDerWaalsContact O-CA 3.31Å; D130-S136 WeakPolarHBondContact O-CA 3.42Å; S136-I238 WeakPolarHBondContact O-CA 3.42Å; S136-F239 PolarHBondContact N-O 3.25Å; S136-F239 VanDerWaalsContact N-O 3.12Å; S136-F239 WeakPolarHBondContact O-CD1 3.26Å; S136-F239 PolarHBondContact O-N 2.92Å
137T97.4Very high95.2Very high26 Ų2658.7 Ų58.716%0.1631%0.305CS..EExtended strand (participates in β ladder)trans-135.2145.7-176.566.50000112.3W129 D130 L237 I238W129-T137 CarbonylContact C-O 3.47Å; W129-T137 WeakPolarHBondContact CA-O 3.34Å; W129-T137 VanDerWaalsContact CB-O 3.22Å; W129-T137 WeakPolarHBondContact CB-O 3.36Å; D130-T137 PolarHBondContact N-O 3.2Å; D130-T137 PolarHBondContact O-N 2.85Å; T137-L237 CarbonylContact C-O 3.58Å; T137-L237 VanDerWaalsContact CA-O 3.24Å; T137-L237 WeakPolarHBondContact CA-O 3.32Å; T137-I238 HydrophobicContact CG2-CG1 4.29Å
138I98Very high95.3Very high0 Ų060.9 Ų60.90%033%0.325CS..EExtended strand (participates in β ladder)trans-125.6118.9171.7-54.7178.3000107.2Q111 I114 T126 W129 L140 N236 L237 F239Q111-I138 HydrophobicContact CB-CD1 4.36Å; Q111-I138 HydrophobicContact CG-CD1 3.89Å; Q111-I138 HydrophobicContact CG-CG1 3.97Å; I114-I138 HydrophobicContact CB-CD1 3.72Å; I114-I138 HydrophobicContact CD1-CD1 4.23Å; I114-I138 HydrophobicContact CG2-CD1 3.61Å; T126-I138 HydrophobicContact CG2-CG2 3.63Å; T126-I138 WeakPolarHBondContact OG1-CG2 3.44Å; W129-I138 HydrophobicContact CB-CG1 4.46Å; I138-L140 HydrophobicContact CG2-CD2 3.79Å; I138-L140 HydrophobicContact CG2-CG 4.44Å; I138-N236 CarbonylContact O-C 3.5Å; I138-N236 WeakPolarHBondContact O-CA 3.45Å; I138-L237 PolarHBondContact N-O 2.8Å; I138-L237 PolarHBondContact O-N 2.87Å; I138-F239 HydrophobicContact CD1-CD1 4.25Å; I138-F239 HydrophobicContact CD1-CE1 3.96Å; I138-F239 HydrophobicContact CG1-CD1 4.05Å; I138-F239 HydrophobicContact CG1-CE1 3.64Å
139E97.7Very high95.5Very high7 Ų761.1 Ų61.13%0.03332%0.323CS..EExtended strand (participates in β ladder)trans-82.5116.5171.3-170-178.259.900108.8T126 T127 S128 K231 K234 T235 N236T126-E139 CarbonylContact C-O 3.43Å; T126-E139 WeakPolarHBondContact CA-O 3.33Å; T127-E139 PolarHBondContact N-O 3.29Å; T127-E139 VanDerWaalsContact OG1-CG 3.29Å; T127-E139 WeakPolarHBondContact OG1-CG 3.46Å; T127-E139 PolarHBondContact OG1-O 2.81Å; T127-E139 PolarHBondContact OG1-OE1 3.22Å; S128-E139 PolarHBondContact O-N 3.45Å; S128-E139 VanDerWaalsContact OG-CB 3.27Å; S128-E139 WeakPolarHBondContact OG-CB 3.29Å; S128-E139 PolarHBondContact OG-OE1 3.12Å; E139-K231 VanDerWaalsContact OE2-CB 3.28Å; E139-K231 WeakPolarHBondContact OE2-CB 2.97Å; E139-K231 WeakPolarHBondContact OE2-CD 3.15Å; E139-K231 VanDerWaalsContact OE2-CG 3.28Å; E139-K231 WeakPolarHBondContact OE2-CG 3.33Å; E139-K231 PolarHBondContact OE2-N 3.39Å; E139-K234 HydrophobicContact CG-CB 3.85Å; E139-K234 HydrophobicContact CG-CD 4.09Å; E139-T235 CarbonylContact C-O 3.6Å; E139-T235 WeakPolarHBondContact CA-O 3.23Å; E139-N236 WeakPolarHBondContact CB-OD1 3.08Å; E139-N236 WeakPolarHBondContact CG-OD1 3.43Å
140L98.1Very high95.7Very high1 Ų160.3 Ų60.31%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-98.1141.2178.6-59175.2000110.1A118 Y124 K125 I138 T142 V145 K234 T235 L237A118-L140 HydrophobicContact CB-CD2 4.27Å; Y124-L140 HydrophobicContact CD2-CD1 4.38Å; K125-L140 CarbonylContact O-C 3.53Å; K125-L140 WeakPolarHBondContact O-CA 3.43Å; I138-L140 HydrophobicContact CG2-CD2 3.79Å; I138-L140 HydrophobicContact CG2-CG 4.44Å; L140-T142 HydrophobicContact CB-CG2 3.87Å; L140-T142 PolarHBondContact O-N 3Å; L140-V145 HydrophobicContact CD1-CG2 4Å; L140-K234 WeakPolarHBondContact O-CB 3.31Å; L140-T235 PolarHBondContact N-O 3.5Å; L140-T235 PolarHBondContact O-N 3.09Å; L140-T235 VanDerWaalsContact O-N 3.14Å; L140-L237 HydrophobicContact CD1-CB 4.11Å; L140-L237 HydrophobicContact CD1-CD2 4.3Å; L140-L237 HydrophobicContact CG-CB 4.5Å
141D97.1Very high95.9Very high89 Ų8961.8 Ų61.848%0.47633%0.326SS..SBendtrans-7758.4177.9-154.324.7000111.9K125 T127 K234K125-D141 HydrophobicContact CB-CB 4.32Å; K125-D141 WeakPolarHBondContact O-CB 3.34Å; K125-D141 PolarHBondContact O-N 3.13Å; T127-D141 HydrophobicContact CG2-CB 3.65Å; D141-K234 WeakPolarHBondContact OD1-CE 3.35Å
142T97.3Very high96.1Very high13 Ų1366.2 Ų66.28%0.0835%0.347CS..SBendtrans-147.6141.9178.51780000109.9Y124 L140 S144 V145 N233 K234 T235Y124-T142 HydrophobicContact CD1-CG2 3.93Å; Y124-T142 HydrophobicContact CD2-CG2 4.25Å; Y124-T142 HydrophobicContact CE1-CG2 4.1Å; Y124-T142 HydrophobicContact CE2-CG2 4.4Å; Y124-T142 HydrophobicContact CG-CG2 4.02Å; L140-T142 HydrophobicContact CB-CG2 3.87Å; L140-T142 PolarHBondContact O-N 3Å; T142-S144 PolarHBondContact O-N 3.31Å; T142-S144 PolarHBondContact OG1-O 3.49Å; T142-V145 HydrophobicContact CG2-CG2 3.91Å; T142-N233 CarbonylContact C-O 3.55Å; T142-N233 VanDerWaalsContact C-O 3.27Å; T142-K234 CarbonylContact O-C 3.59Å; T142-K234 VanDerWaalsContact O-C 3.23Å; T142-K234 VanDerWaalsContact O-CA 3.25Å; T142-K234 WeakPolarHBondContact O-CA 3.35Å; T142-T235 WeakPolarHBondContact O-CB 3.48Å; T142-T235 PolarHBondContact O-N 3.12Å; T142-T235 VanDerWaalsContact O-N 3.09Å; T142-T235 PolarHBondContact O-OG1 2.85Å
143P96.3Very high96.4Very high96 Ų9665.7 Ų65.762%0.62334%0.341SS*.SBendtrans-68.8-19.9178.727.9-36.4000113.6N233 T235P143-N233 WeakPolarHBondContact CA-O 3.34Å; P143-T235 VanDerWaalsContact C-OG1 3.23Å; P143-T235 PolarHBondContact O-OG1 2.91Å
144S95.8Very high96.9Very high69 Ų6957.4 Ų57.448%0.48331%0.311SS..  trans-162.9152.6178.661.80000112T142 T235T142-S144 PolarHBondContact O-N 3.31Å; T142-S144 PolarHBondContact OG1-O 3.49Å; S144-T235 WeakPolarHBondContact CA-OG1 3.26Å; S144-T235 PolarHBondContact N-OG1 2.83Å
145V96.8Very high97.4Very high21 Ų2155.6 Ų55.613%0.12730%0.303CS..  trans-116.3127.4167.8-1780000108.1Y124 L140 T142 Q149 L150 T227 T235Y124-V145 HydrophobicContact CD2-CG2 4.35Å; Y124-V145 HydrophobicContact CE2-CG1 4.37Å; Y124-V145 HydrophobicContact CE2-CG2 4.13Å; L140-V145 HydrophobicContact CD1-CG2 4Å; T142-V145 HydrophobicContact CG2-CG2 3.91Å; V145-Q149 HydrophobicContact CG1-CB 4.14Å; V145-L150 HydrophobicContact CG1-CB 4.32Å; V145-T227 HydrophobicContact CB-CG2 4.06Å; V145-T227 HydrophobicContact CG2-CG2 4.3Å; V145-T235 HydrophobicContact CG2-CG2 4.15Å
146K95.8Very high97.6Very high148 Ų14851 Ų5164%0.64329%0.289SS*.  trans-74150.6178.4-62.3176.4-178174.60110.4A148 Q149 L150K146-A148 VanDerWaalsContact C-N 3.26Å; K146-A148 PolarHBondContact O-N 2.93Å; K146-Q149 HydrophobicContact CB-CG 4.2Å; K146-Q149 PolarHBondContact O-N 3.25Å; K146-L150 PolarHBondContact O-N 3.07Å
147A96.1Very high97.6Very high83 Ų8351 Ų5169%0.68629%0.289SS*.Hα-helixtrans-54.9-40.2178.500000113.1L150 Q151A147-L150 WeakPolarHBondContact O-CB 3.46Å; A147-L150 PolarHBondContact O-N 2.88Å; A147-Q151 PolarHBondContact O-N 3.27Å
148A97.1Very high97.7Very high70 Ų7050.6 Ų50.658%0.57929%0.286SS*.Hα-helixtrans-63.6-42176.500000112.8K146 L150 Q151 E152K146-A148 VanDerWaalsContact C-N 3.26Å; K146-A148 PolarHBondContact O-N 2.93Å; A148-L150 VanDerWaalsContact C-N 3.33Å; A148-L150 PolarHBondContact O-N 3.22Å; A148-Q151 PolarHBondContact O-N 3.16Å; A148-E152 WeakPolarHBondContact O-CB 3.49Å; A148-E152 PolarHBondContact O-N 3.45Å
149Q97.8Very high97.7Very high37 Ų3755.7 Ų55.717%0.17331%0.31CS..Hα-helixtrans-67.6-36.1177.6-63.2174.1-66.300111.6F122 Y124 V145 K146 Q151 L153F122-Q149 HydrophobicContact CD1-CG 4.36Å; F122-Q149 HydrophobicContact CE1-CB 4.18Å; F122-Q149 HydrophobicContact CE1-CG 4.04Å; F122-Q149 HydrophobicContact CE2-CB 4.36Å; F122-Q149 HydrophobicContact CZ-CB 4.02Å; F122-Q149 HydrophobicContact CZ-CG 4.39Å; Y124-Q149 PolarHBondContact OH-NE2 3.43Å; Y124-Q149 PolarHBondContact OH-OE1 2.85Å; V145-Q149 HydrophobicContact CG1-CB 4.14Å; K146-Q149 HydrophobicContact CB-CG 4.2Å; K146-Q149 PolarHBondContact O-N 3.25Å; Q149-Q151 VanDerWaalsContact C-N 3.34Å; Q149-L153 VanDerWaalsContact O-CB 3.28Å; Q149-L153 WeakPolarHBondContact O-CB 3.1Å; Q149-L153 PolarHBondContact O-N 3.11Å
150L97.9Very high97.7Very high31 Ų3158.9 Ų58.916%0.16232%0.323CS..Hα-helixtrans-62.1-44.3174.9-173.471.7000111.2V145 K146 A147 A148 E154 L224 L237V145-L150 HydrophobicContact CG1-CB 4.32Å; K146-L150 PolarHBondContact O-N 3.07Å; A147-L150 WeakPolarHBondContact O-CB 3.46Å; A147-L150 PolarHBondContact O-N 2.88Å; A148-L150 VanDerWaalsContact C-N 3.33Å; A148-L150 PolarHBondContact O-N 3.22Å; L150-E154 PolarHBondContact O-N 2.85Å; L150-L224 HydrophobicContact CD1-CB 3.89Å; L150-L224 HydrophobicContact CD1-CD1 3.71Å; L150-L224 HydrophobicContact CD1-CG 4.43Å; L150-L224 HydrophobicContact CG-CB 4.22Å; L150-L224 HydrophobicContact CG-CD1 4.3Å; L150-L237 HydrophobicContact CD1-CD1 3.23Å
151Q98.2Very high97.8Very high118 Ų11859 Ų5955%0.55132%0.324SS*.Hα-helixtrans-65.1-48.3176.8-178.6179.5-13.700111.5A147 A148 Q149 L153 E154 E155A147-Q151 PolarHBondContact O-N 3.27Å; A148-Q151 PolarHBondContact O-N 3.16Å; Q149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-L153 VanDerWaalsContact C-N 3.29Å; Q151-L153 PolarHBondContact O-N 3.41Å; Q151-E154 PolarHBondContact O-N 3.45Å; Q151-E154 VanDerWaalsContact O-N 3.13Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.37Å; Q151-E155 PolarHBondContact NE2-OE1 3.1Å; Q151-E155 WeakPolarHBondContact O-CG 3.28Å; Q151-E155 PolarHBondContact O-N 3.25Å
152E98.6Very high97.8Very high99 Ų9963.1 Ų63.146%0.46333%0.333SS..Hα-helixtrans-58.8-41.1178.5-165.6-17317100111.7M121 F122 A148 E155 A156M121-E152 HydrophobicContact CE-CB 4.44Å; M121-E152 HydrophobicContact CE-CG 3.69Å; F122-E152 HydrophobicContact CZ-CB 4.29Å; F122-E152 HydrophobicContact CZ-CG 4.44Å; A148-E152 WeakPolarHBondContact O-CB 3.49Å; A148-E152 PolarHBondContact O-N 3.45Å; E152-E155 PolarHBondContact O-N 3.09Å; E152-A156 WeakPolarHBondContact O-CB 3.47Å; E152-A156 PolarHBondContact O-N 2.86Å
153L98.8Very high97.9Very high4 Ų465.9 Ų65.92%0.02135%0.353CS..Hα-helixtrans-62.9-46.3174.2-175.458.3000112.1I114 L117 A118 M121 F122 Q149 Q151 E155 A156 V157 L224 L237I114-L153 HydrophobicContact CG2-CD2 4.15Å; L117-L153 HydrophobicContact CB-CD1 3.73Å; A118-L153 HydrophobicContact CB-CD1 4.28Å; A118-L153 HydrophobicContact CB-CD2 4.03Å; M121-L153 HydrophobicContact SD-CD1 4.19Å; F122-L153 HydrophobicContact CE2-CB 4.11Å; Q149-L153 VanDerWaalsContact O-CB 3.28Å; Q149-L153 WeakPolarHBondContact O-CB 3.1Å; Q149-L153 PolarHBondContact O-N 3.11Å; Q151-L153 VanDerWaalsContact C-N 3.29Å; Q151-L153 PolarHBondContact O-N 3.41Å; L153-E155 VanDerWaalsContact C-N 3.33Å; L153-E155 PolarHBondContact O-N 2.71Å; L153-A156 PolarHBondContact O-N 3.02Å; L153-V157 HydrophobicContact CD1-CG2 4.14Å; L153-V157 HydrophobicContact CG-CG2 4.36Å; L153-V157 WeakPolarHBondContact O-CB 3.5Å; L153-V157 WeakPolarHBondContact O-CG2 3.38Å; L153-V157 PolarHBondContact O-N 2.59Å; L153-L224 HydrophobicContact CB-CD1 4.21Å; L153-L224 HydrophobicContact CD2-CD1 4.07Å; L153-L224 HydrophobicContact CG-CD1 4.09Å; L153-L237 HydrophobicContact CD2-CD2 4.07Å
154E98.8Very high98Very high37 Ų3762.3 Ų62.317%0.17333%0.334CS..Hα-helixtrans-61-42.4178.6-176.6175.1103.100111.5L150 Q151 N158 K223 L224L150-E154 PolarHBondContact O-N 2.85Å; Q151-E154 PolarHBondContact O-N 3.45Å; Q151-E154 VanDerWaalsContact O-N 3.13Å; E154-N158 WeakPolarHBondContact O-CB 3.34Å; E154-N158 PolarHBondContact O-N 3.23Å; E154-N158 PolarHBondContact O-ND2 3.38Å; E154-K223 IonicContact OE1-NZ 2.77Å; E154-K223 PolarHBondContact OE1-NZ 2.91Å; E154-K223 WeakPolarHBondContact OE2-CD 3.5Å; E154-K223 WeakPolarHBondContact OE2-CE 3.41Å; E154-K223 IonicContact OE2-NZ 2.71Å; E154-K223 PolarHBondContact OE2-NZ 2.92Å; E154-L224 HydrophobicContact CB-CD1 3.88Å; E154-L224 HydrophobicContact CB-CG 3.98Å; E154-L224 HydrophobicContact CG-CG 4.3Å; E154-L224 PolarHBondContact OE2-N 2.94Å
155E98.8Very high98.1Very high104 Ų10460.7 Ų60.749%0.48632%0.319SS..Hα-helixtrans-62.9-49.3177.9-73.1172.8-169.100111.3Q151 E152 L153 V157 N158 E159Q151-E155 WeakPolarHBondContact CG-OE1 3.37Å; Q151-E155 PolarHBondContact NE2-OE1 3.1Å; Q151-E155 WeakPolarHBondContact O-CG 3.28Å; Q151-E155 PolarHBondContact O-N 3.25Å; E152-E155 PolarHBondContact O-N 3.09Å; L153-E155 VanDerWaalsContact C-N 3.33Å; L153-E155 PolarHBondContact O-N 2.71Å; E155-V157 PolarHBondContact O-N 2.77Å; E155-N158 PolarHBondContact O-N 3.33Å; E155-E159 WeakPolarHBondContact O-CB 3.31Å; E155-E159 PolarHBondContact O-N 2.8Å
156A98.8Very high98.2Very high18 Ų1862.5 Ų62.515%0.14933%0.331CS..Hα-helixtrans-62.1-43.6178.600000112.4L117 M121 E152 L153 E159 K160L117-A156 HydrophobicContact CD1-CB 4.34Å; M121-A156 HydrophobicContact CE-CB 4.01Å; M121-A156 HydrophobicContact SD-CB 3.8Å; E152-A156 WeakPolarHBondContact O-CB 3.47Å; E152-A156 PolarHBondContact O-N 2.86Å; L153-A156 PolarHBondContact O-N 3.02Å; A156-E159 WeakPolarHBondContact O-CB 3.21Å; A156-E159 PolarHBondContact O-N 2.95Å; A156-K160 PolarHBondContact O-N 3.05Å; A156-K160 VanDerWaalsContact O-N 3.12Å
157V98.7Very high98.2Very high0 Ų055.9 Ų55.90%030%0.304CS..Hα-helixtrans-58.8-50.2175.9165.90000110.6L113 I114 L117 L153 E155 E159 K160 I161 I222L113-V157 HydrophobicContact CD2-CG1 3.81Å; L113-V157 HydrophobicContact CG-CG1 4.18Å; I114-V157 HydrophobicContact CG1-CG1 4.32Å; I114-V157 HydrophobicContact CG1-CG2 4.05Å; L117-V157 HydrophobicContact CB-CG2 4.5Å; L117-V157 HydrophobicContact CD1-CB 4.26Å; L117-V157 HydrophobicContact CD1-CG2 3.64Å; L153-V157 HydrophobicContact CD1-CG2 4.14Å; L153-V157 HydrophobicContact CG-CG2 4.36Å; L153-V157 WeakPolarHBondContact O-CB 3.5Å; L153-V157 WeakPolarHBondContact O-CG2 3.38Å; L153-V157 PolarHBondContact O-N 2.59Å; E155-V157 PolarHBondContact O-N 2.77Å; V157-E159 VanDerWaalsContact C-N 3.29Å; V157-E159 PolarHBondContact O-N 3.49Å; V157-K160 PolarHBondContact O-N 3.32Å; V157-I161 HydrophobicContact CG1-CD1 4.25Å; V157-I161 WeakPolarHBondContact O-CG1 3.4Å; V157-I161 PolarHBondContact O-N 3.29Å; V157-I161 VanDerWaalsContact O-N 3.12Å; V157-I222 HydrophobicContact CG1-CB 3.89Å; V157-I222 HydrophobicContact CG1-CD1 3.57Å; V157-I222 HydrophobicContact CG1-CG1 4.2Å; V157-I222 HydrophobicContact CG1-CG2 4.06Å
158N98.8Very high98.1Very high17 Ų1754.1 Ų54.19%0.09129%0.286CS..Hα-helixtrans-70.6-25.6-179-76.8-75.4000112.7E154 E155 I161 R162 V221 I222E154-N158 WeakPolarHBondContact O-CB 3.34Å; E154-N158 PolarHBondContact O-N 3.23Å; E154-N158 PolarHBondContact O-ND2 3.38Å; E155-N158 PolarHBondContact O-N 3.33Å; N158-I161 PolarHBondContact O-N 3.06Å; N158-R162 WeakPolarHBondContact O-CG 3.45Å; N158-R162 PolarHBondContact O-N 2.96Å; N158-R162 PolarHBondContact O-NH1 3.29Å; N158-V221 WeakPolarHBondContact OD1-CA 3.24Å; N158-I222 PolarHBondContact ND2-O 3.41Å; N158-I222 PolarHBondContact OD1-N 3.02Å; N158-I222 PolarHBondContact OD1-O 2.75Å
159E98.7Very high97.8Very high108 Ų10853.6 Ų53.651%0.50528%0.276SS..Hα-helixtrans-63.3-47.7169.8-171-178.6175.200111.5E155 A156 V157 I161 R162 S163E155-E159 WeakPolarHBondContact O-CB 3.31Å; E155-E159 PolarHBondContact O-N 2.8Å; A156-E159 WeakPolarHBondContact O-CB 3.21Å; A156-E159 PolarHBondContact O-N 2.95Å; V157-E159 VanDerWaalsContact C-N 3.29Å; V157-E159 PolarHBondContact O-N 3.49Å; E159-I161 VanDerWaalsContact C-N 3.27Å; E159-I161 PolarHBondContact O-N 3.32Å; E159-R162 PolarHBondContact O-N 3.36Å; E159-R162 VanDerWaalsContact O-N 3.11Å; E159-S163 PolarHBondContact O-N 3.19Å; E159-S163 PolarHBondContact O-OG 3.23Å; E159-S163 VanDerWaalsContact O-OG 3.13Å
160K98.6Very high97.3Very high73 Ų7355.5 Ų55.532%0.31728%0.284SS..Hα-helixtrans-61.5-35.2175.8-61.6-53.2-176.7-177.80112.7L113 L117 A156 V157 S163 G164 I203 L216L113-K160 HydrophobicContact CD1-CB 4.08Å; L113-K160 HydrophobicContact CD1-CG 4.38Å; L113-K160 HydrophobicContact CD2-CB 4.49Å; L117-K160 HydrophobicContact CD1-CG 4.14Å; A156-K160 PolarHBondContact O-N 3.05Å; A156-K160 VanDerWaalsContact O-N 3.12Å; V157-K160 PolarHBondContact O-N 3.32Å; K160-S163 PolarHBondContact O-N 2.8Å; K160-G164 PolarHBondContact O-N 3.49Å; K160-I203 HydrophobicContact CB-CD1 4Å; K160-I203 HydrophobicContact CD-CD1 4.01Å; K160-I203 HydrophobicContact CG-CD1 3.86Å; K160-L216 HydrophobicContact CB-CD1 4.01Å
161I98.6Very high96.7Very high4 Ų457.8 Ų57.82%0.02130%0.297CS..Hα-helixtrans-61-49.4172.3-69.8171.4000110.8L113 V157 N158 E159 S163 G164 L216 S217 L219 I222L113-I161 HydrophobicContact CD2-CD1 4.33Å; L113-I161 HydrophobicContact CD2-CG1 3.9Å; V157-I161 HydrophobicContact CG1-CD1 4.25Å; V157-I161 WeakPolarHBondContact O-CG1 3.4Å; V157-I161 PolarHBondContact O-N 3.29Å; V157-I161 VanDerWaalsContact O-N 3.12Å; N158-I161 PolarHBondContact O-N 3.06Å; E159-I161 VanDerWaalsContact C-N 3.27Å; E159-I161 PolarHBondContact O-N 3.32Å; I161-S163 VanDerWaalsContact C-N 3.29Å; I161-S163 PolarHBondContact O-N 3.33Å; I161-G164 PolarHBondContact O-N 3.27Å; I161-L216 HydrophobicContact CG1-CB 4.49Å; I161-L216 WeakPolarHBondContact CG2-O 3.47Å; I161-S217 WeakPolarHBondContact O-CA 3.15Å; I161-L219 HydrophobicContact CD1-CB 3.81Å; I161-L219 HydrophobicContact CD1-CD1 4.09Å; I161-L219 HydrophobicContact CG1-CB 4.09Å; I161-L219 HydrophobicContact CG1-CD1 4.04Å; I161-I222 HydrophobicContact CD1-CB 4.24Å; I161-I222 HydrophobicContact CD1-CD1 3.88Å; I161-I222 HydrophobicContact CD1-CG1 3.77Å
162R98.6Very high96Very high175 Ų17553.4 Ų53.466%0.6628%0.277SS*.Hα-helixtrans-64.2-32.9179.5-73.3-174.3-61-89.91.4112.9N158 E159 G164N158-R162 WeakPolarHBondContact O-CG 3.45Å; N158-R162 PolarHBondContact O-N 2.96Å; N158-R162 PolarHBondContact O-NH1 3.29Å; E159-R162 PolarHBondContact O-N 3.36Å; E159-R162 VanDerWaalsContact O-N 3.11Å; R162-G164 PolarHBondContact O-N 3.27Å
163S98.3Very high95.3Very high72 Ų7254 Ų5450%0.50328%0.283SS..THydrogen-bonded Turntrans-68.9-9.6175.2-60.20000113.6E159 K160 I161 I165E159-S163 PolarHBondContact O-N 3.19Å; E159-S163 PolarHBondContact O-OG 3.23Å; E159-S163 VanDerWaalsContact O-OG 3.13Å; K160-S163 PolarHBondContact O-N 2.8Å; I161-S163 VanDerWaalsContact C-N 3.29Å; I161-S163 PolarHBondContact O-N 3.33Å; S163-I165 PolarHBondContact O-N 3.13Å
164G97.8Very high94.2Very high21 Ų2158.4 Ų58.422%0.21631%0.306CS..THydrogen-bonded Turntrans62.141.9174.400000112.9K160 I161 R162 N215K160-G164 PolarHBondContact O-N 3.49Å; I161-G164 PolarHBondContact O-N 3.27Å; R162-G164 PolarHBondContact O-N 3.27Å; G164-N215 VanDerWaalsContact C-OD1 3.29Å; G164-N215 VanDerWaalsContact CA-OD1 3.26Å; G164-N215 WeakPolarHBondContact CA-OD1 3.21Å; G164-N215 PolarHBondContact O-ND2 3.22Å; G164-N215 PolarHBondContact O-OD1 2.78Å
165I98.3Very high93.3Very high34 Ų3461.8 Ų61.817%0.17433%0.334CS..  trans-62.9129.8-177.2-54.6-62.9000110.1S163 E201 I203 N215 L216S163-I165 PolarHBondContact O-N 3.13Å; I165-E201 HydrophobicContact CG2-CB 4.04Å; I165-E201 WeakPolarHBondContact CG2-O 3.46Å; I165-I203 HydrophobicContact CB-CD1 4.48Å; I165-I203 HydrophobicContact CG1-CD1 4.21Å; I165-I203 HydrophobicContact CG2-CD1 4.19Å; I165-N215 WeakPolarHBondContact O-CA 3.12Å; I165-L216 HydrophobicContact CB-CB 4.47Å; I165-L216 HydrophobicContact CB-CD1 3.71Å; I165-L216 HydrophobicContact CB-CG 4.01Å; I165-L216 HydrophobicContact CG1-CD1 4.11Å; I165-L216 HydrophobicContact CG2-CD1 4.36Å; I165-L216 PolarHBondContact O-N 3.23Å
166P98.3Very high92.4Very high59 Ų5959.5 Ų59.538%0.38333%0.325SS..BIsolated β-bridgetrans-61.3145174.5-25.336.6000112.9E201P166-E201 WeakPolarHBondContact CD-OE2 3.4Å; P166-E201 VanDerWaalsContact CG-OE2 3.32Å; P166-E201 WeakPolarHBondContact CG-OE2 3.46Å; P166-E201 PolarHBondContact O-N 2.77Å
167V97.5Very high91.4Very high10 Ų1063 Ų636%0.06135%0.346CS..EExtended strand (participates in β ladder)trans-124.2120.2172.8-1770000107.9I198 D199 M200 H212 V213 T214 L216V167-I198 HydrophobicContact CG1-CG2 3.85Å; V167-D199 CarbonylContact C-O 3.59Å; V167-D199 WeakPolarHBondContact CA-O 3.28Å; V167-M200 HydrophobicContact CG1-CG 4.3Å; V167-M200 HydrophobicContact CG2-CG 4.1Å; V167-H212 HydrophobicContact CG1-CB 4.5Å; V167-V213 VanDerWaalsContact CB-O 3.22Å; V167-V213 WeakPolarHBondContact CB-O 3.27Å; V167-V213 VanDerWaalsContact CG1-O 3.29Å; V167-V213 WeakPolarHBondContact CG1-O 3.37Å; V167-T214 PolarHBondContact N-O 2.93Å; V167-T214 CarbonylContact O-C 3.55Å; V167-T214 WeakPolarHBondContact O-CA 3.4Å; V167-T214 VanDerWaalsContact O-O 3.14Å; V167-L216 HydrophobicContact CG2-CD2 3.59Å; V167-L216 HydrophobicContact CG2-CG 4.01Å
168S93.7Very high90.4Very high46 Ų4664.9 Ų64.932%0.32236%0.362SS..EExtended strand (participates in β ladder)trans-116.6152.4-176.177.80000112.1D199S168-D199 PolarHBondContact N-O 3.35Å; S168-D199 PolarHBondContact O-N 3.05Å
169V90.3Very high89.3Confident59 Ų5965 Ų6536%0.35836%0.363SS..EExtended strand (participates in β ladder)trans-107.4123.7174.1-177.40000107.7R196 I197 I198V169-R196 HydrophobicContact CG1-CG 3.86Å; V169-I197 WeakPolarHBondContact CA-O 3.5Å; V169-I198 HydrophobicContact CB-CD1 4.39Å; V169-I198 HydrophobicContact CG1-CD1 4.35Å; V169-I198 HydrophobicContact CG2-CD1 3.72Å
170Q87.7Confident88.1Confident76 Ų7668.3 Ų68.336%0.35538%0.378SS..EExtended strand (participates in β ladder)trans-114.6137.4174.8-61.7-178-8.300109.5L172 R196 I197Q170-L172 HydrophobicContact CB-CD2 4.36Å; Q170-L172 HydrophobicContact CB-CG 4.36Å; Q170-R196 WeakPolarHBondContact O-CA 3.45Å; Q170-I197 HydrophobicContact CB-CB 4.37Å; Q170-I197 PolarHBondContact N-O 3.03Å; Q170-I197 PolarHBondContact O-N 2.93Å
171L85.8Confident86.9Confident80 Ų8073.5 Ų73.542%0.41940%0.401SS..EExtended strand (participates in β ladder)trans-110107.7170.4-65.7176.7000107A2 P194 I195 R196A2-L171 HydrophobicContact CB-CD2 4.47Å; L171-P194 HydrophobicContact CB-CB 4.33Å; L171-I195 WeakPolarHBondContact CA-O 3Å; L171-R196 HydrophobicContact CD2-CB 3.85Å; L171-R196 HydrophobicContact CD2-CG 3.95Å
172L83.6Confident85.9Confident25 Ų2574.2 Ų74.213%0.13141%0.405CS..EExtended strand (participates in β ladder)trans-112148.5-178-57.4-171.6000110.6Q170 D176 A178 V179 P194 I195 I197Q170-L172 HydrophobicContact CB-CD2 4.36Å; Q170-L172 HydrophobicContact CB-CG 4.36Å; L172-D176 HydrophobicContact CB-CB 4.09Å; L172-D176 HydrophobicContact CD1-CB 4.44Å; L172-A178 HydrophobicContact CD1-CB 3.73Å; L172-V179 HydrophobicContact CB-CG2 4.15Å; L172-V179 HydrophobicContact CD1-CG2 4.4Å; L172-P194 CarbonylContact O-C 3.48Å; L172-P194 WeakPolarHBondContact O-CA 3.45Å; L172-P194 WeakPolarHBondContact O-CB 3.27Å; L172-I195 PolarHBondContact N-O 2.94Å; L172-I195 PolarHBondContact O-N 3.5Å; L172-I197 HydrophobicContact CB-CD1 4.24Å; L172-I197 HydrophobicContact CD1-CD1 3.39Å; L172-I197 HydrophobicContact CG-CD1 3.84Å
173D82.9Confident84.8Confident111 Ų11169.5 Ų69.559%0.59439%0.388SS*.  trans-70.8150.6168.9-73.8-51.7000110.5S175 D176D173-S175 PolarHBondContact O-N 3.11Å; D173-S175 VanDerWaalsContact O-N 3.09Å; D173-D176 WeakPolarHBondContact O-CB 3.37Å; D173-D176 PolarHBondContact O-N 3.33Å
174L76.5Confident83.6Confident98 Ų9868.5 Ų68.551%0.51338%0.381SS..THydrogen-bonded Turntrans-53.7-30.5177.7-93.9143.8000113.4D176 L187 I195L174-D176 VanDerWaalsContact C-N 3.3Å; L174-L187 HydrophobicContact CD2-CD1 3.72Å; L174-I195 HydrophobicContact CB-CD1 4.45Å; L174-I195 HydrophobicContact CD2-CD1 3.85Å; L174-I195 HydrophobicContact CD2-CG1 4.48Å; L174-I195 HydrophobicContact CG-CD1 3.82Å; L174-I195 HydrophobicContact CG-CG1 4.1Å
175S78.9Confident82Confident108 Ų10876.5 Ų76.576%0.75540%0.404SS*.THydrogen-bonded Turntrans-82.3-4179.455.70000114D173 P177D173-S175 PolarHBondContact O-N 3.11Å; D173-S175 VanDerWaalsContact O-N 3.09Å; S175-P177 WeakPolarHBondContact O-CD 3.45Å
176D80.9Confident80.3Confident56 Ų5677.4 Ų77.430%0.29942%0.422SS..  trans-70.4124.3-179.4-168.1-50.1000110.3L172 D173 L174 A178 V179L172-D176 HydrophobicContact CB-CB 4.09Å; L172-D176 HydrophobicContact CD1-CB 4.44Å; D173-D176 WeakPolarHBondContact O-CB 3.37Å; D173-D176 PolarHBondContact O-N 3.33Å; L174-D176 VanDerWaalsContact C-N 3.3Å; D176-A178 PolarHBondContact O-N 3.3Å; D176-A178 VanDerWaalsContact OD1-CB 3.25Å; D176-A178 WeakPolarHBondContact OD1-CB 3.48Å; D176-A178 PolarHBondContact OD1-N 2.88Å; D176-V179 HydrophobicContact CB-CG2 4.13Å; D176-V179 VanDerWaalsContact O-CB 3.23Å; D176-V179 WeakPolarHBondContact O-CB 3.33Å; D176-V179 WeakPolarHBondContact O-CG2 3.39Å; D176-V179 PolarHBondContact O-N 3.37Å
177P77.9Confident78.5Confident92 Ų9277.5 Ų77.560%0.59742%0.419SS*.G310 helixtrans-58-21.8179.6-2433.3000114.7S175 V179 E180S175-P177 WeakPolarHBondContact O-CD 3.45Å; P177-V179 PolarHBondContact O-N 2.81Å; P177-E180 PolarHBondContact O-N 3.41Å
178A76.3Confident76.8Confident39 Ų3980.9 Ų80.932%0.32244%0.441SS..G310 helixtrans-66.1-25.4175.400000112.1L172 D176 E180 K181 V182L172-A178 HydrophobicContact CD1-CB 3.73Å; D176-A178 PolarHBondContact O-N 3.3Å; D176-A178 VanDerWaalsContact OD1-CB 3.25Å; D176-A178 WeakPolarHBondContact OD1-CB 3.48Å; D176-A178 PolarHBondContact OD1-N 2.88Å; A178-E180 VanDerWaalsContact C-N 3.27Å; A178-E180 PolarHBondContact O-N 3.02Å; A178-K181 PolarHBondContact O-N 3.46Å; A178-K181 VanDerWaalsContact O-N 3.14Å; A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.11Å
179V75.4Confident75Confident18 Ų1887.5 Ų87.511%0.10947%0.473CS..G310 helixtrans-61.3-35.2177.5176.60000111.7L172 D176 P177 K181 V182 I195 I197 M207L172-V179 HydrophobicContact CB-CG2 4.15Å; L172-V179 HydrophobicContact CD1-CG2 4.4Å; D176-V179 HydrophobicContact CB-CG2 4.13Å; D176-V179 VanDerWaalsContact O-CB 3.23Å; D176-V179 WeakPolarHBondContact O-CB 3.33Å; D176-V179 WeakPolarHBondContact O-CG2 3.39Å; D176-V179 PolarHBondContact O-N 3.37Å; P177-V179 PolarHBondContact O-N 2.81Å; V179-K181 PolarHBondContact O-N 2.69Å; V179-V182 PolarHBondContact O-N 2.74Å; V179-I195 HydrophobicContact CB-CD1 4.35Å; V179-I195 HydrophobicContact CG1-CD1 3.44Å; V179-I195 VanDerWaalsContact CG1-CD1 3.44Å; V179-I195 HydrophobicContact CG2-CD1 3.89Å; V179-I197 HydrophobicContact CG2-CD1 4.49Å; V179-M207 HydrophobicContact CG1-CE 3.95Å
180E73.4Confident73.5Confident178 Ų17891.2 Ų91.283%0.83249%0.491SS*.G310 helixtrans-67.6-21.8179.4-63.7-172.3162.900113.2P177 A178P177-E180 PolarHBondContact O-N 3.41Å; A178-E180 VanDerWaalsContact C-N 3.27Å; A178-E180 PolarHBondContact O-N 3.02Å
181K73.1Confident72.3Confident183 Ų18390.9 Ų90.980%0.79649%0.489SS*.G310 helixtrans-93.3-2.6-177.1-60.8178.6-176.9174.20113.1A178 V179A178-K181 PolarHBondContact O-N 3.46Å; A178-K181 VanDerWaalsContact O-N 3.14Å; V179-K181 PolarHBondContact O-N 2.69Å
182V79.4Confident71.1Confident18 Ų1890.9 Ų90.911%0.10950%0.501CS..SBendtrans-93.9136.2-173.6171.80000110.1A178 V179 S184 I197 A205 N206 M207A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.11Å; V179-V182 PolarHBondContact O-N 2.74Å; V182-S184 PolarHBondContact O-N 2.89Å; V182-I197 HydrophobicContact CG1-CG1 4.16Å; V182-I197 HydrophobicContact CG1-CG2 4.23Å; V182-I197 HydrophobicContact CG2-CD1 3.74Å; V182-I197 HydrophobicContact CG2-CG1 4.15Å; V182-I197 HydrophobicContact CG2-CG2 4.05Å; V182-A205 WeakPolarHBondContact CG1-O 3.35Å; V182-A205 HydrophobicContact CG2-CB 4.24Å; V182-N206 VanDerWaalsContact CG1-C 3.49Å; V182-M207 HydrophobicContact CG1-CG 3.73Å; V182-M207 VanDerWaalsContact CG1-N 3.3Å
183R74.2Confident70.4Confident77 Ų7791.4 Ų91.429%0.29151%0.512SS..BIsolated β-bridgetrans-67.1126.4174.3-178.2169.567.784.8-0.7109.5T115 D204 A205 N206 M207T115-R183 VanDerWaalsContact CG2-CZ 3.43Å; R183-D204 IonicContact CZ-OD2 3.62Å; R183-D204 VanDerWaalsContact CZ-OD2 3.23Å; R183-D204 IonicContact NE-OD1 3.82Å; R183-D204 IonicContact NE-OD2 2.83Å; R183-D204 PolarHBondContact NE-OD2 3.37Å; R183-D204 IonicContact NH2-OD2 3.34Å; R183-D204 PolarHBondContact NH2-OD2 3.45Å; R183-A205 PolarHBondContact N-O 2.93Å; R183-N206 WeakPolarHBondContact CB-OD1 3.26Å; R183-N206 PolarHBondContact NE-OD1 2.82Å; R183-N206 PolarHBondContact NH2-ND2 2.99Å; R183-N206 PolarHBondContact NH2-OD1 3.26Å; R183-N206 WeakPolarHBondContact O-CA 3.45Å; R183-M207 PolarHBondContact O-N 2.71Å
184S73.9Confident69.9Low51 Ų5188.9 Ų88.936%0.35750%0.502SS..  trans-144.2155.8-173.7-175.50000112.7V182 G186 M207V182-S184 PolarHBondContact O-N 2.89Å; S184-G186 PolarHBondContact OG-N 2.99Å; S184-M207 VanDerWaalsContact OG-CE 3.28Å; S184-M207 WeakPolarHBondContact OG-CE 3.32Å; S184-M207 PolarHBondContact OG-SD 3.22Å
185R64.7Low70.2Confident189 Ų18984.3 Ų84.371%0.71348%0.478SS*.SBendtrans-1009.3168.7-54.1-170.881.1178.24.7112.3T127T127-R185 PolarHBondContact O-NH2 3.09Å
186G61Low70.5Confident53 Ų5379.9 Ų79.955%0.54644%0.444SS..  trans92.2158.1-171.900000112.4S184S184-G186 PolarHBondContact OG-N 2.99Å
187L62Low71Confident60 Ų6077.3 Ų77.331%0.31443%0.431SS..  trans-99.3145.3170.1-67.1166.6000108.7L174 H191 I195 M207L174-L187 HydrophobicContact CD2-CD1 3.72Å; L187-H191 HydrophobicContact CB-CB 4.22Å; L187-I195 HydrophobicContact CD1-CD1 3.62Å; L187-I195 HydrophobicContact CD1-CG1 3.89Å; L187-M207 HydrophobicContact CD1-SD 4.5Å; L187-M207 HydrophobicContact CD2-SD 4.13Å; L187-M207 HydrophobicContact CG-SD 4.15Å
188P61Low71.6Confident82 Ų8272.9 Ų72.953%0.53240%0.402SS..  trans-56.7147.6167.3-24.535.4000111.9D190 H191P188-D190 WeakPolarHBondContact CB-OD1 3.49Å; P188-D190 PolarHBondContact O-N 2.79Å; P188-D190 VanDerWaalsContact O-N 3.1Å; P188-H191 VanDerWaalsContact O-CB 3.3Å; P188-H191 WeakPolarHBondContact O-CB 3.36Å; P188-H191 PolarHBondContact O-N 3.43Å
189D56.1Low72.5Confident184 Ų18473 Ų7398%0.98440%0.397SS*.THydrogen-bonded Turntrans-60.8-21-179.1-63.3-28.6000113.2
190D58.1Low73.5Confident138 Ų13872.2 Ų72.274%0.73839%0.392SS*.THydrogen-bonded Turntrans-97.712.917967.6-23.5000113.7P188 A192P188-D190 WeakPolarHBondContact CB-OD1 3.49Å; P188-D190 PolarHBondContact O-N 2.79Å; P188-D190 VanDerWaalsContact O-N 3.1Å; D190-A192 PolarHBondContact O-N 3.33Å
191H63.8Low74.6Confident68 Ų6869.3 Ų69.332%0.31538%0.379SS..  trans-65.6120.2-179.7-175.573.3000112.2L187 P188 G193L187-H191 HydrophobicContact CB-CB 4.22Å; P188-H191 VanDerWaalsContact O-CB 3.3Å; P188-H191 WeakPolarHBondContact O-CB 3.36Å; P188-H191 PolarHBondContact O-N 3.43Å; H191-G193 PolarHBondContact NE2-O 3.02Å
192A59.6Low75.6Confident81 Ų8164.6 Ų64.667%0.66938%0.383SS*.  trans-122.4126.4174.200000111.8D190D190-A192 PolarHBondContact O-N 3.33Å
193G68.3Low76.4Confident36 Ų3665.6 Ų65.637%0.37139%0.387SS..SBendtrans113.9-173.3176.600000114H191H191-G193 PolarHBondContact NE2-O 3.02Å
194P73.6Confident77.3Confident57 Ų5763.3 Ų63.337%0.3738%0.381SS..PPolyproline II helixtrans-71.1145.7-177.728-34.3000112L171 L172L171-P194 HydrophobicContact CB-CB 4.33Å; L172-P194 CarbonylContact O-C 3.48Å; L172-P194 WeakPolarHBondContact O-CA 3.45Å; L172-P194 WeakPolarHBondContact O-CB 3.27Å
195I82.3Confident78.1Confident3 Ų362.1 Ų62.12%0.01537%0.373CS..EExtended strand (participates in β ladder)trans-80.1128.2175.2-58.5172.4000108.6L171 L172 L174 V179 L187 I197 M207L171-I195 WeakPolarHBondContact CA-O 3Å; L172-I195 PolarHBondContact N-O 2.94Å; L172-I195 PolarHBondContact O-N 3.5Å; L174-I195 HydrophobicContact CB-CD1 4.45Å; L174-I195 HydrophobicContact CD2-CD1 3.85Å; L174-I195 HydrophobicContact CD2-CG1 4.48Å; L174-I195 HydrophobicContact CG-CD1 3.82Å; L174-I195 HydrophobicContact CG-CG1 4.1Å; V179-I195 HydrophobicContact CB-CD1 4.35Å; V179-I195 HydrophobicContact CG1-CD1 3.44Å; V179-I195 VanDerWaalsContact CG1-CD1 3.44Å; V179-I195 HydrophobicContact CG2-CD1 3.89Å; L187-I195 HydrophobicContact CD1-CD1 3.62Å; L187-I195 HydrophobicContact CD1-CG1 3.89Å; I195-I197 HydrophobicContact CG2-CG1 4.13Å; I195-M207 HydrophobicContact CG2-CB 4.47Å; I195-M207 HydrophobicContact CG2-CG 3.72Å; I195-M207 HydrophobicContact CG2-SD 3.85Å
196R86.6Confident79.2Confident14 Ų1453.3 Ų53.35%0.05334%0.34CS..EExtended strand (participates in β ladder)trans-91.5119.7175.3-172.9172175.5-88.89110.8Q6 V169 Q170 L171 M207 C208 G210Q6-R196 PolarHBondContact O-NE 2.95Å; Q6-R196 PolarHBondContact O-NH2 3.47Å; Q6-R196 VanDerWaalsContact O-NH2 3.13Å; V169-R196 HydrophobicContact CG1-CG 3.86Å; Q170-R196 WeakPolarHBondContact O-CA 3.45Å; L171-R196 HydrophobicContact CD2-CB 3.85Å; L171-R196 HydrophobicContact CD2-CG 3.95Å; R196-M207 WeakPolarHBondContact O-CA 3.49Å; R196-C208 WeakPolarHBondContact CG-O 3.5Å; R196-C208 PolarHBondContact NH1-O 3.44Å; R196-C208 PolarHBondContact O-N 2.88Å; R196-C208 VanDerWaalsContact O-N 3.1Å; R196-G210 PolarHBondContact NH1-O 3.38Å; R196-G210 PolarHBondContact NH2-O 3.47Å
197I89.4Confident80.6Confident2 Ų253 Ų531%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-112.8134.4179.5-63.9159.9000109V169 Q170 L172 V179 V182 I195 A205 N206V169-I197 WeakPolarHBondContact CA-O 3.5Å; Q170-I197 HydrophobicContact CB-CB 4.37Å; Q170-I197 PolarHBondContact N-O 3.03Å; Q170-I197 PolarHBondContact O-N 2.93Å; L172-I197 HydrophobicContact CB-CD1 4.24Å; L172-I197 HydrophobicContact CD1-CD1 3.39Å; L172-I197 HydrophobicContact CG-CD1 3.84Å; V179-I197 HydrophobicContact CG2-CD1 4.49Å; V182-I197 HydrophobicContact CG1-CG1 4.16Å; V182-I197 HydrophobicContact CG1-CG2 4.23Å; V182-I197 HydrophobicContact CG2-CD1 3.74Å; V182-I197 HydrophobicContact CG2-CG1 4.15Å; V182-I197 HydrophobicContact CG2-CG2 4.05Å; I195-I197 HydrophobicContact CG2-CG1 4.13Å; I197-A205 HydrophobicContact CG2-CB 4.18Å; I197-N206 CarbonylContact C-O 3.59Å; I197-N206 VanDerWaalsContact CA-O 3.31Å; I197-N206 WeakPolarHBondContact CA-O 3.32Å
198I92.3Very high81.8Confident0 Ų050.7 Ų50.70%031%0.314CS..EExtended strand (participates in β ladder)trans-103.5115.6170.2-59.5-58.4000107.2V167 V169 A205 N206 C208 H212V167-I198 HydrophobicContact CG1-CG2 3.85Å; V169-I198 HydrophobicContact CB-CD1 4.39Å; V169-I198 HydrophobicContact CG1-CD1 4.35Å; V169-I198 HydrophobicContact CG2-CD1 3.72Å; I198-A205 CarbonylContact O-C 3.48Å; I198-A205 WeakPolarHBondContact O-CA 3.37Å; I198-N206 PolarHBondContact N-O 3.13Å; I198-N206 PolarHBondContact O-N 3.05Å; I198-C208 HydrophobicContact CG1-CB 3.91Å; I198-H212 HydrophobicContact CD1-CB 4.35Å; I198-H212 VanDerWaalsContact CD1-CD2 3.47Å; I198-H212 WeakPolarHBondContact CD1-CD2 3.46Å; I198-H212 VanDerWaalsContact CG1-CD2 3.43Å; I198-H212 WeakPolarHBondContact CG1-CD2 3.44Å; I198-H212 HydrophobicContact CG2-CB 4.43Å
199D94.6Very high83.1Confident41 Ų4149.5 Ų49.522%0.21931%0.307CS..EExtended strand (participates in β ladder)trans-108.7116.2-179.917935.6000109.6V167 S168 A205V167-D199 CarbonylContact C-O 3.59Å; V167-D199 WeakPolarHBondContact CA-O 3.28Å; S168-D199 PolarHBondContact N-O 3.35Å; S168-D199 PolarHBondContact O-N 3.05Å; D199-A205 HydrophobicContact CB-CB 4.47Å
200M96.8Very high84.8Confident1 Ų140.8 Ų40.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-95.2104.7168-62.8-175.2175.900107.2S109 H112 L113 V167 G202 I203 D204 L216S109-M200 WeakPolarHBondContact O-CE 3.36Å; H112-M200 HydrophobicContact CB-CE 3.49Å; H112-M200 VanDerWaalsContact CB-CE 3.49Å; H112-M200 HydrophobicContact CB-SD 4.26Å; L113-M200 HydrophobicContact CB-SD 4.15Å; V167-M200 HydrophobicContact CG1-CG 4.3Å; V167-M200 HydrophobicContact CG2-CG 4.1Å; M200-G202 PolarHBondContact O-N 3.41Å; M200-I203 HydrophobicContact CB-CB 4.1Å; M200-I203 PolarHBondContact O-N 2.86Å; M200-D204 PolarHBondContact N-O 2.99Å; M200-D204 PolarHBondContact O-N 3.03Å; M200-D204 VanDerWaalsContact O-N 3.16Å; M200-L216 HydrophobicContact CE-CD2 4.18Å; M200-L216 HydrophobicContact SD-CD2 4.05Å
201E96.7Very high86.6Confident117 Ų11734.2 Ų34.255%0.54723%0.226SC..THydrogen-bonded Turntrans-51.7121.8-165.6-174.5-179.8-177.500112.4I165 P166 I203I165-E201 HydrophobicContact CG2-CB 4.04Å; I165-E201 WeakPolarHBondContact CG2-O 3.46Å; P166-E201 WeakPolarHBondContact CD-OE2 3.4Å; P166-E201 VanDerWaalsContact CG-OE2 3.32Å; P166-E201 WeakPolarHBondContact CG-OE2 3.46Å; P166-E201 PolarHBondContact O-N 2.77Å; E201-I203 PolarHBondContact O-N 2.95Å
202G94.1Very high88.1Confident85 Ų8531.2 Ų31.288%0.87621%0.212SC*.THydrogen-bonded Turntrans69.411178.700000115.3M200M200-G202 PolarHBondContact O-N 3.41Å
203I95Very high90Very high39 Ų3927.4 Ų27.420%0.218%0.181CC..THydrogen-bonded Turntrans-118.2-65.1178-60.1174.9000110.5L113 A116 K160 I165 M200 E201 L216L113-I203 HydrophobicContact CD1-CD1 3.89Å; L113-I203 HydrophobicContact CD1-CG2 4.24Å; A116-I203 HydrophobicContact CB-CG2 3.8Å; K160-I203 HydrophobicContact CB-CD1 4Å; K160-I203 HydrophobicContact CD-CD1 4.01Å; K160-I203 HydrophobicContact CG-CD1 3.86Å; I165-I203 HydrophobicContact CB-CD1 4.48Å; I165-I203 HydrophobicContact CG1-CD1 4.21Å; I165-I203 HydrophobicContact CG2-CD1 4.19Å; M200-I203 HydrophobicContact CB-CB 4.1Å; M200-I203 PolarHBondContact O-N 2.86Å; E201-I203 PolarHBondContact O-N 2.95Å; I203-L216 HydrophobicContact CD1-CD1 3.81Å
204D92.9Very high91.4Very high29 Ų2929.2 Ų29.216%0.15518%0.184CC..EExtended strand (participates in β ladder)trans-163.5144.7-172.7-166.720.4000111.6A116 R183 M200 N206A116-D204 HydrophobicContact CB-CB 3.53Å; R183-D204 IonicContact CZ-OD2 3.62Å; R183-D204 VanDerWaalsContact CZ-OD2 3.23Å; R183-D204 IonicContact NE-OD1 3.82Å; R183-D204 IonicContact NE-OD2 2.83Å; R183-D204 PolarHBondContact NE-OD2 3.37Å; R183-D204 IonicContact NH2-OD2 3.34Å; R183-D204 PolarHBondContact NH2-OD2 3.45Å; M200-D204 PolarHBondContact N-O 2.99Å; M200-D204 PolarHBondContact O-N 3.03Å; M200-D204 VanDerWaalsContact O-N 3.16Å; D204-N206 PolarHBondContact OD2-ND2 3.05Å; D204-N206 PolarHBondContact OD2-OD1 3.12Å
205A91.5Very high92.5Very high25 Ų2528.1 Ų28.121%0.20718%0.175CC..EExtended strand (participates in β ladder)trans-121.9126.9174.600000109.4V182 R183 I197 I198 D199V182-A205 WeakPolarHBondContact CG1-O 3.35Å; V182-A205 HydrophobicContact CG2-CB 4.24Å; R183-A205 PolarHBondContact N-O 2.93Å; I197-A205 HydrophobicContact CG2-CB 4.18Å; I198-A205 CarbonylContact O-C 3.48Å; I198-A205 WeakPolarHBondContact O-CA 3.37Å; D199-A205 HydrophobicContact CB-CB 4.47Å
206N88.6Confident93.3Very high4 Ų428 Ų282%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-133.5140.7-171.2-69.7-81.4000113.8V182 R183 I197 I198 D204 C208V182-N206 VanDerWaalsContact CG1-C 3.49Å; R183-N206 WeakPolarHBondContact CB-OD1 3.26Å; R183-N206 PolarHBondContact NE-OD1 2.82Å; R183-N206 PolarHBondContact NH2-ND2 2.99Å; R183-N206 PolarHBondContact NH2-OD1 3.26Å; R183-N206 WeakPolarHBondContact O-CA 3.45Å; I197-N206 CarbonylContact C-O 3.59Å; I197-N206 VanDerWaalsContact CA-O 3.31Å; I197-N206 WeakPolarHBondContact CA-O 3.32Å; I198-N206 PolarHBondContact N-O 3.13Å; I198-N206 PolarHBondContact O-N 3.05Å; D204-N206 PolarHBondContact OD2-ND2 3.05Å; D204-N206 PolarHBondContact OD2-OD1 3.12Å; N206-C208 PolarHBondContact O-N 3.34Å
207M88.6Confident93.9Very high46 Ų4629.9 Ų29.923%0.22719%0.19CC..EExtended strand (participates in β ladder)trans-70.3113.6164.2-63.2-175.6-146.800109.4V179 V182 R183 S184 L187 I195 R196V179-M207 HydrophobicContact CG1-CE 3.95Å; V182-M207 HydrophobicContact CG1-CG 3.73Å; V182-M207 VanDerWaalsContact CG1-N 3.3Å; R183-M207 PolarHBondContact O-N 2.71Å; S184-M207 VanDerWaalsContact OG-CE 3.28Å; S184-M207 WeakPolarHBondContact OG-CE 3.32Å; S184-M207 PolarHBondContact OG-SD 3.22Å; L187-M207 HydrophobicContact CD1-SD 4.5Å; L187-M207 HydrophobicContact CD2-SD 4.13Å; L187-M207 HydrophobicContact CG-SD 4.15Å; I195-M207 HydrophobicContact CG2-CB 4.47Å; I195-M207 HydrophobicContact CG2-CG 3.72Å; I195-M207 HydrophobicContact CG2-SD 3.85Å; R196-M207 WeakPolarHBondContact O-CA 3.49Å
208C88.8Confident94.3Very high12 Ų1232.9 Ų32.98%0.08120%0.204CC..  trans-150137.8178.3-171.10000111.8H108 R196 I198 N206 G210 H212H108-C208 PolarHBondContact CE1-SG 2.82Å; H108-C208 PolarHBondContact NE2-SG 2.94Å; R196-C208 WeakPolarHBondContact CG-O 3.5Å; R196-C208 PolarHBondContact NH1-O 3.44Å; R196-C208 PolarHBondContact O-N 2.88Å; R196-C208 VanDerWaalsContact O-N 3.1Å; I198-C208 HydrophobicContact CG1-CB 3.91Å; N206-C208 PolarHBondContact O-N 3.34Å; C208-G210 PolarHBondContact SG-N 2.98Å; C208-H212 PolarHBondContact SG-NE2 3.48Å; C208-H212 VanDerWaalsContact SG-NE2 3.44Å
209C87.4Confident94.6Very high58 Ų5832.9 Ų32.939%0.39220%0.204SC..  trans-95.9-7.9177.8-65.70000113.3Q6 F50Q6-C209 PolarHBondContact NE2-O 3.25Å; F50-C209 WeakPolarHBondContact CE2-O 3.15Å
210G91.8Very high94.8Very high1 Ų135.9 Ų35.91%0.0122%0.217CC..SBendtrans-76.6176.5-176.100000114.3R196 C208 H212R196-G210 PolarHBondContact NH1-O 3.38Å; R196-G210 PolarHBondContact NH2-O 3.47Å; C208-G210 PolarHBondContact SG-N 2.98Å; G210-H212 PolarHBondContact O-CD2 3.31Å
211T95.3Very high94.9Very high0 Ų037.8 Ų37.80%023%0.228CC..  trans-89.1137.8177.759.20000110.4F50 Q56 M105F50-T211 HydrophobicContact CB-CG2 4.09Å; F50-T211 HydrophobicContact CD2-CG2 4.07Å; F50-T211 HydrophobicContact CG-CG2 4.08Å; Q56-T211 PolarHBondContact NE2-OG1 3.44Å; Q56-T211 PolarHBondContact OE1-OG1 3.25Å; M105-T211 VanDerWaalsContact CG-OG1 3.32Å; M105-T211 WeakPolarHBondContact CG-OG1 3.5Å
212H96.6Very high95Very high4 Ų432.3 Ų32.32%0.01920%0.203CC..  trans-129.8152.9-175.1-70.2-83.9000111.9M105 H108 S109 H112 V167 I198 C208 G210M105-H212 WeakPolarHBondContact CE-O 3.44Å; H108-H212 AromaticContact CD2-CE1 3.56Å; H108-H212 AromaticContact CE1-NE2 3.86Å; H108-H212 AromaticContact CG-CE1 3.63Å; H108-H212 AromaticContact ND1-CE1 3.97Å; H108-H212 AromaticContact ND1-NE2 3.89Å; H108-H212 AromaticContact NE2-CE1 3.86Å; H108-H212 AromaticContact NE2-NE2 3.94Å; S109-H212 WeakPolarHBondContact OG-CA 3.48Å; S109-H212 PolarHBondContact OG-ND1 3.4Å; S109-H212 VanDerWaalsContact OG-ND1 3.12Å; H112-H212 AromaticContact CD2-CE1 3.36Å; H112-H212 PolarHBondContact CD2-CE1 3.16Å; H112-H212 AromaticContact NE2-CE1 3.54Å; V167-H212 HydrophobicContact CG1-CB 4.5Å; I198-H212 HydrophobicContact CD1-CB 4.35Å; I198-H212 VanDerWaalsContact CD1-CD2 3.47Å; I198-H212 WeakPolarHBondContact CD1-CD2 3.46Å; I198-H212 VanDerWaalsContact CG1-CD2 3.43Å; I198-H212 WeakPolarHBondContact CG1-CD2 3.44Å; I198-H212 HydrophobicContact CG2-CB 4.43Å; C208-H212 PolarHBondContact SG-NE2 3.48Å; C208-H212 VanDerWaalsContact SG-NE2 3.44Å; G210-H212 PolarHBondContact O-CD2 3.31Å
213V98.1Very high95.2Very high2 Ų231.7 Ų31.71%0.01218%0.176CC..  trans-66.1154.1166.8-59.90000109.8Y10 F102 M105 Q106 S109 V167 N215 H218 L219Y10-V213 WeakPolarHBondContact OH-CA 3.48Å; Y10-V213 WeakPolarHBondContact OH-CB 3.34Å; F102-V213 HydrophobicContact CE2-CG1 4.43Å; M105-V213 HydrophobicContact CB-CG1 4.05Å; M105-V213 HydrophobicContact CE-CG1 4.48Å; Q106-V213 HydrophobicContact CG-CG1 4.49Å; S109-V213 PolarHBondContact OG-N 2.83Å; S109-V213 VanDerWaalsContact OG-N 3.1Å; V167-V213 VanDerWaalsContact CB-O 3.22Å; V167-V213 WeakPolarHBondContact CB-O 3.27Å; V167-V213 VanDerWaalsContact CG1-O 3.29Å; V167-V213 WeakPolarHBondContact CG1-O 3.37Å; V213-N215 VanDerWaalsContact CG2-O 3.23Å; V213-N215 WeakPolarHBondContact CG2-O 3.45Å; V213-H218 HydrophobicContact CB-CB 3.89Å; V213-H218 HydrophobicContact CG1-CB 3.86Å; V213-H218 HydrophobicContact CG2-CB 4.46Å; V213-L219 HydrophobicContact CG1-CD2 4.06Å; V213-L219 HydrophobicContact CG2-CD2 3.87Å; V213-L219 HydrophobicContact CG2-CG 4.29Å
214T97.8Very high95.4Very high74 Ų7430.1 Ų30.145%0.45417%0.168SC..SBendtrans-86.6-9.2176.345.40000113.5Y10 V167 H218Y10-T214 HydrophobicContact CD2-CG2 3.77Å; Y10-T214 HydrophobicContact CE2-CG2 3.49Å; Y10-T214 VanDerWaalsContact CE2-CG2 3.49Å; Y10-T214 WeakPolarHBondContact CE2-OG1 3.45Å; Y10-T214 PolarHBondContact OH-N 3.17Å; V167-T214 PolarHBondContact N-O 2.93Å; V167-T214 CarbonylContact O-C 3.55Å; V167-T214 WeakPolarHBondContact O-CA 3.4Å; V167-T214 VanDerWaalsContact O-O 3.14Å; T214-H218 PolarHBondContact OG1-CE1 2.96Å
215N98.5Very high95.6Very high33 Ų3332 Ų3218%0.17618%0.178CC..BIsolated β-bridgetrans-154.4138.3179.8-168.4-78000109.6G164 I165 V213 S217 H218G164-N215 VanDerWaalsContact C-OD1 3.29Å; G164-N215 VanDerWaalsContact CA-OD1 3.26Å; G164-N215 WeakPolarHBondContact CA-OD1 3.21Å; G164-N215 PolarHBondContact O-ND2 3.22Å; G164-N215 PolarHBondContact O-OD1 2.78Å; I165-N215 WeakPolarHBondContact O-CA 3.12Å; V213-N215 VanDerWaalsContact CG2-O 3.23Å; V213-N215 WeakPolarHBondContact CG2-O 3.45Å; N215-S217 PolarHBondContact O-N 3.06Å; N215-S217 VanDerWaalsContact OD1-CB 3.27Å; N215-S217 WeakPolarHBondContact OD1-CB 3.11Å; N215-S217 PolarHBondContact OD1-N 3.06Å; N215-S217 PolarHBondContact OD1-OG 3.01Å; N215-H218 VanDerWaalsContact O-CB 3.32Å; N215-H218 WeakPolarHBondContact O-CB 3.33Å; N215-H218 PolarHBondContact O-N 3.44Å
216L98.6Very high95.8Very high0 Ų031.6 Ų31.60%018%0.176CC..G310 helixtrans-62.2-25.6-179-64.1-171.5000113.1L113 K160 I161 I165 V167 M200 I203 H218 L219L113-L216 HydrophobicContact CD1-CD1 3.91Å; L113-L216 HydrophobicContact CD2-CD1 3.97Å; L113-L216 HydrophobicContact CD2-CD2 4.35Å; K160-L216 HydrophobicContact CB-CD1 4.01Å; I161-L216 HydrophobicContact CG1-CB 4.49Å; I161-L216 WeakPolarHBondContact CG2-O 3.47Å; I165-L216 HydrophobicContact CB-CB 4.47Å; I165-L216 HydrophobicContact CB-CD1 3.71Å; I165-L216 HydrophobicContact CB-CG 4.01Å; I165-L216 HydrophobicContact CG1-CD1 4.11Å; I165-L216 HydrophobicContact CG2-CD1 4.36Å; I165-L216 PolarHBondContact O-N 3.23Å; V167-L216 HydrophobicContact CG2-CD2 3.59Å; V167-L216 HydrophobicContact CG2-CG 4.01Å; M200-L216 HydrophobicContact CE-CD2 4.18Å; M200-L216 HydrophobicContact SD-CD2 4.05Å; I203-L216 HydrophobicContact CD1-CD1 3.81Å; L216-H218 PolarHBondContact O-N 3.18Å; L216-L219 HydrophobicContact CD2-CD1 3.99Å; L216-L219 WeakPolarHBondContact O-CB 3.26Å; L216-L219 VanDerWaalsContact O-CG 3.26Å; L216-L219 WeakPolarHBondContact O-CG 3.33Å; L216-L219 PolarHBondContact O-N 3.13Å
217S98.6Very high96.3Very high54 Ų5434.3 Ų34.338%0.37819%0.192SC..G310 helixtrans-60.2-25.9174.863.60000113I161 N215 L219 Q220I161-S217 WeakPolarHBondContact O-CA 3.15Å; N215-S217 PolarHBondContact O-N 3.06Å; N215-S217 VanDerWaalsContact OD1-CB 3.27Å; N215-S217 WeakPolarHBondContact OD1-CB 3.11Å; N215-S217 PolarHBondContact OD1-N 3.06Å; N215-S217 PolarHBondContact OD1-OG 3.01Å; S217-L219 PolarHBondContact O-N 2.92Å; S217-Q220 WeakPolarHBondContact O-CA 3.22Å; S217-Q220 PolarHBondContact O-N 3.41Å
218H98.6Very high96.7Very high65 Ų6535.9 Ų35.930%0.30120%0.199SC..G310 helixtrans-68-15175.1-62.8160.4000113.1Y10 F102 Q106 V213 T214 N215 L216 Q220Y10-H218 AromaticContact CZ-ND1 3.69Å; Y10-H218 PolarHBondContact OH-ND1 2.9Å; F102-H218 HydrophobicContact CE2-CB 4.33Å; F102-H218 HydrophobicContact CZ-CB 4.11Å; Q106-H218 PolarHBondContact NE2-O 3.33Å; V213-H218 HydrophobicContact CB-CB 3.89Å; V213-H218 HydrophobicContact CG1-CB 3.86Å; V213-H218 HydrophobicContact CG2-CB 4.46Å; T214-H218 PolarHBondContact OG1-CE1 2.96Å; N215-H218 VanDerWaalsContact O-CB 3.32Å; N215-H218 WeakPolarHBondContact O-CB 3.33Å; N215-H218 PolarHBondContact O-N 3.44Å; L216-H218 PolarHBondContact O-N 3.18Å; H218-Q220 PolarHBondContact O-N 3.47Å
219L98.6Very high97Very high0 Ų044.8 Ų44.80%024%0.237CC..G310 helixtrans-69.9-22.1169.5-54.9-177.2000112.2Q106 L113 I161 V213 L216 S217 V221 I222 T241 G242Q106-L219 HydrophobicContact CB-CD2 4.29Å; Q106-L219 HydrophobicContact CG-CD2 4.39Å; Q106-L219 WeakPolarHBondContact O-CD2 3.21Å; L113-L219 HydrophobicContact CD2-CD1 4.09Å; I161-L219 HydrophobicContact CD1-CB 3.81Å; I161-L219 HydrophobicContact CD1-CD1 4.09Å; I161-L219 HydrophobicContact CG1-CB 4.09Å; I161-L219 HydrophobicContact CG1-CD1 4.04Å; V213-L219 HydrophobicContact CG1-CD2 4.06Å; V213-L219 HydrophobicContact CG2-CD2 3.87Å; V213-L219 HydrophobicContact CG2-CG 4.29Å; L216-L219 HydrophobicContact CD2-CD1 3.99Å; L216-L219 WeakPolarHBondContact O-CB 3.26Å; L216-L219 VanDerWaalsContact O-CG 3.26Å; L216-L219 WeakPolarHBondContact O-CG 3.33Å; L216-L219 PolarHBondContact O-N 3.13Å; S217-L219 PolarHBondContact O-N 2.92Å; L219-V221 PolarHBondContact O-N 3.49Å; L219-I222 HydrophobicContact CD1-CD1 4.25Å; L219-T241 HydrophobicContact CB-CG2 3.76Å; L219-T241 HydrophobicContact CD2-CG2 3.94Å; L219-T241 HydrophobicContact CG-CG2 4.3Å; L219-G242 WeakPolarHBondContact O-CA 3.49Å; L219-G242 PolarHBondContact O-N 2.93Å; L219-G242 VanDerWaalsContact O-N 3.14Å
220Q98.5Very high97.3Very high104 Ų10442.8 Ų42.849%0.48623%0.225SC..  trans63.3-60.1-177.2-54.9169.2-39.300113.4S217 H218S217-Q220 WeakPolarHBondContact O-CA 3.22Å; S217-Q220 PolarHBondContact O-N 3.41Å; H218-Q220 PolarHBondContact O-N 3.47Å
221V98.6Very high97.4Very high42 Ų4249.5 Ų49.526%0.25526%0.255SS..  trans-157.9148.3-178.457.70000109.8N158 L219 T241 G242 V245N158-V221 WeakPolarHBondContact OD1-CA 3.24Å; L219-V221 PolarHBondContact O-N 3.49Å; V221-T241 CarbonylContact O-C 3.55Å; V221-T241 WeakPolarHBondContact O-CA 3.3Å; V221-G242 PolarHBondContact O-N 3.33Å; V221-V245 HydrophobicContact CG1-CB 3.66Å; V221-V245 HydrophobicContact CG1-CG1 3.71Å; V221-V245 HydrophobicContact CG1-CG2 4Å; V221-V245 HydrophobicContact CG2-CG1 4.2Å
222I98.6Very high97.2Very high1 Ų159.1 Ų59.11%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-118.7136.9166.8-73.8178.2000109.3I114 V157 N158 I161 L219 L224 L240 T241I114-I222 HydrophobicContact CD1-CD1 4.31Å; I114-I222 HydrophobicContact CD1-CG2 3.96Å; I114-I222 HydrophobicContact CG1-CD1 4.36Å; I114-I222 HydrophobicContact CG1-CG2 4.41Å; V157-I222 HydrophobicContact CG1-CB 3.89Å; V157-I222 HydrophobicContact CG1-CD1 3.57Å; V157-I222 HydrophobicContact CG1-CG1 4.2Å; V157-I222 HydrophobicContact CG1-CG2 4.06Å; N158-I222 PolarHBondContact ND2-O 3.41Å; N158-I222 PolarHBondContact OD1-N 3.02Å; N158-I222 PolarHBondContact OD1-O 2.75Å; I161-I222 HydrophobicContact CD1-CB 4.24Å; I161-I222 HydrophobicContact CD1-CD1 3.88Å; I161-I222 HydrophobicContact CD1-CG1 3.77Å; L219-I222 HydrophobicContact CD1-CD1 4.25Å; I222-L224 HydrophobicContact CG2-CD2 3.96Å; I222-L240 CarbonylContact C-O 3.56Å; I222-L240 WeakPolarHBondContact CA-O 3.17Å; I222-T241 HydrophobicContact CD1-CG2 4.06Å; I222-T241 HydrophobicContact CG1-CG2 3.58Å
223K98.6Very high97.1Very high73 Ų7365.4 Ų65.432%0.31733%0.33SS..EExtended strand (participates in β ladder)trans-118.9124.8170.2-174.771.6-162.1137.90110.3E154 L225 F239 L240 V245E154-K223 IonicContact OE1-NZ 2.77Å; E154-K223 PolarHBondContact OE1-NZ 2.91Å; E154-K223 WeakPolarHBondContact OE2-CD 3.5Å; E154-K223 WeakPolarHBondContact OE2-CE 3.41Å; E154-K223 IonicContact OE2-NZ 2.71Å; E154-K223 PolarHBondContact OE2-NZ 2.92Å; K223-L225 HydrophobicContact CG-CD2 3.9Å; K223-F239 CarbonylContact O-C 3.37Å; K223-F239 VanDerWaalsContact O-CA 3.27Å; K223-F239 WeakPolarHBondContact O-CA 3.41Å; K223-L240 PolarHBondContact N-O 2.86Å; K223-L240 PolarHBondContact O-N 3.05Å; K223-V245 HydrophobicContact CB-CG1 4.09Å; K223-V245 HydrophobicContact CB-CG2 3.97Å
224L98.6Very high97Very high5 Ų567.9 Ų67.93%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-89118.4168.8-52-172.7000108.3I114 L150 L153 E154 I222 L237 F239I114-L224 HydrophobicContact CD1-CD2 3.94Å; I114-L224 HydrophobicContact CG1-CD2 4.44Å; L150-L224 HydrophobicContact CD1-CB 3.89Å; L150-L224 HydrophobicContact CD1-CD1 3.71Å; L150-L224 HydrophobicContact CD1-CG 4.43Å; L150-L224 HydrophobicContact CG-CB 4.22Å; L150-L224 HydrophobicContact CG-CD1 4.3Å; L153-L224 HydrophobicContact CB-CD1 4.21Å; L153-L224 HydrophobicContact CD2-CD1 4.07Å; L153-L224 HydrophobicContact CG-CD1 4.09Å; E154-L224 HydrophobicContact CB-CD1 3.88Å; E154-L224 HydrophobicContact CB-CG 3.98Å; E154-L224 HydrophobicContact CG-CG 4.3Å; E154-L224 PolarHBondContact OE2-N 2.94Å; I222-L224 HydrophobicContact CG2-CD2 3.96Å; L224-L237 HydrophobicContact CB-CD1 4.29Å; L224-L237 HydrophobicContact CD1-CD1 4.27Å; L224-L237 HydrophobicContact CD1-CD2 4.4Å; L224-L237 HydrophobicContact CD2-CD1 4.36Å; L224-L237 HydrophobicContact CD2-CD2 4.28Å; L224-L237 HydrophobicContact CD2-CG 4.48Å; L224-F239 HydrophobicContact CD2-CB 3.63Å
225L97.3Very high97.1Very high69 Ų6964.6 Ų64.636%0.36132%0.32SS..EExtended strand (participates in β ladder)trans-85.7-11.9-175.2-62.2-176.1000113.1K223 I238 L240 Y248K223-L225 HydrophobicContact CG-CD2 3.9Å; L225-I238 HydrophobicContact CB-CB 4.25Å; L225-I238 HydrophobicContact CB-CG2 4.07Å; L225-I238 HydrophobicContact CD1-CG2 3.95Å; L225-I238 HydrophobicContact CG-CG2 4.38Å; L225-I238 PolarHBondContact N-O 3.28Å; L225-L240 HydrophobicContact CD1-CD1 3.96Å; L225-L240 HydrophobicContact CD1-CD2 4.34Å; L225-L240 HydrophobicContact CD1-CG 3.89Å; L225-L240 HydrophobicContact CD2-CD1 4.14Å; L225-L240 HydrophobicContact CD2-CG 4.48Å; L225-L240 HydrophobicContact CG-CD1 4.35Å; L225-L240 HydrophobicContact CG-CG 4.22Å; L225-Y248 HydrophobicContact CD2-CE1 4.25Å; L225-Y248 HydrophobicContact CD2-CE2 4.3Å
226G96.9Very high97Very high16 Ų1664.7 Ų64.717%0.16532%0.321CS..EExtended strand (participates in β ladder)trans127.1-163.7-174.300000111.9I238G226-I238 PolarHBondContact O-N 3.15Å
227T97.6Very high97Very high61 Ų6164.7 Ų64.737%0.37432%0.321SS..EExtended strand (participates in β ladder)trans-129.4141.6-177.1590000112.3V145 T235 N236 L237V145-T227 HydrophobicContact CB-CG2 4.06Å; V145-T227 HydrophobicContact CG2-CG2 4.3Å; T227-T235 VanDerWaalsContact CB-CG2 3.47Å; T227-T235 HydrophobicContact CG2-CG2 3.65Å; T227-N236 CarbonylContact C-O 3.56Å; T227-N236 WeakPolarHBondContact CA-O 3.4Å; T227-L237 HydrophobicContact CG2-CD1 4.25Å
228E96.6Very high97Very high80 Ų8062.6 Ų62.637%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-110159.4168.3-78169.4-167.600109.9R135 G230 N236 I238R135-E228 IonicContact CZ-OE1 3.06Å; R135-E228 VanDerWaalsContact CZ-OE1 3.28Å; R135-E228 IonicContact NH1-OE1 3.68Å; R135-E228 PolarHBondContact NH1-OE1 3.41Å; R135-E228 IonicContact NH2-OE1 2.58Å; R135-E228 PolarHBondContact NH2-OE1 3.26Å; R135-E228 IonicContact NH2-OE2 2.91Å; R135-E228 PolarHBondContact NH2-OE2 3.41Å; E228-G230 PolarHBondContact O-N 2.98Å; E228-N236 HydrophobicContact CB-CB 4.34Å; E228-N236 PolarHBondContact N-O 2.89Å; E228-N236 PolarHBondContact O-N 2.88Å; E228-I238 HydrophobicContact CB-CD1 4.4Å; E228-I238 VanDerWaalsContact CD-CD1 3.44Å; E228-I238 HydrophobicContact CG-CD1 3.69Å; E228-I238 VanDerWaalsContact OE1-CD1 3.3Å; E228-I238 WeakPolarHBondContact OE1-CD1 3.48Å
229K96.6Very high97Very high199 Ų19959.5 Ų59.587%0.86529%0.291SS*.EExtended strand (participates in β ladder)trans-65.7124.2175.1-171.5176.1-179.6177.20109.7
230G94Very high97Very high15 Ų1559.9 Ų59.916%0.15529%0.293CS..  trans-86.5-162.9175.300000112.7E228 K234E228-G230 PolarHBondContact O-N 2.98Å; G230-K234 VanDerWaalsContact CA-O 3.26Å; G230-K234 WeakPolarHBondContact CA-O 3.32Å; G230-K234 PolarHBondContact N-O 3.45Å
231K93.1Very high97Very high143 Ų14355 Ų5562%0.62227%0.27SS*.SBendtrans-64.7175.3171.1-65.1169.4-174.9166.10110.7E139 N233 K234E139-K231 VanDerWaalsContact OE2-CB 3.28Å; E139-K231 WeakPolarHBondContact OE2-CB 2.97Å; E139-K231 WeakPolarHBondContact OE2-CD 3.15Å; E139-K231 VanDerWaalsContact OE2-CG 3.28Å; E139-K231 WeakPolarHBondContact OE2-CG 3.33Å; E139-K231 PolarHBondContact OE2-N 3.39Å; K231-N233 PolarHBondContact O-N 3.07Å; K231-K234 WeakPolarHBondContact O-CA 3.43Å; K231-K234 WeakPolarHBondContact O-CB 3.26Å; K231-K234 PolarHBondContact O-N 3.5Å
232K91.6Very high97Very high201 Ų20153 Ų5387%0.87426%0.258SS*.THydrogen-bonded Turntrans-33.3106.8-176.2-65.1-178.9-1791800113.5K234K232-K234 PolarHBondContact O-N 3.4Å
233N93.5Very high96.9Very high137 Ų13755.6 Ų55.673%0.73327%0.272SS*.THydrogen-bonded Turntrans60.131.2-179.1-63.6-17.4000116.4T142 P143 K231T142-N233 CarbonylContact C-O 3.55Å; T142-N233 VanDerWaalsContact C-O 3.27Å; P143-N233 WeakPolarHBondContact CA-O 3.34Å; K231-N233 PolarHBondContact O-N 3.07Å
234K97.3Very high96.9Very high53 Ų5353.3 Ų53.323%0.2326%0.261CS..  trans-124.2164179.3-58.8-175.7179.7-171.50111.7T127 E139 L140 D141 T142 G230 K231 K232T127-K234 HydrophobicContact CG2-CD 4.17Å; T127-K234 VanDerWaalsContact CG2-NZ 3.29Å; T127-K234 WeakPolarHBondContact OG1-CD 3.42Å; E139-K234 HydrophobicContact CG-CB 3.85Å; E139-K234 HydrophobicContact CG-CD 4.09Å; L140-K234 WeakPolarHBondContact O-CB 3.31Å; D141-K234 WeakPolarHBondContact OD1-CE 3.35Å; T142-K234 CarbonylContact O-C 3.59Å; T142-K234 VanDerWaalsContact O-C 3.23Å; T142-K234 VanDerWaalsContact O-CA 3.25Å; T142-K234 WeakPolarHBondContact O-CA 3.35Å; G230-K234 VanDerWaalsContact CA-O 3.26Å; G230-K234 WeakPolarHBondContact CA-O 3.32Å; G230-K234 PolarHBondContact N-O 3.45Å; K231-K234 WeakPolarHBondContact O-CA 3.43Å; K231-K234 WeakPolarHBondContact O-CB 3.26Å; K231-K234 PolarHBondContact O-N 3.5Å; K232-K234 PolarHBondContact O-N 3.4Å
235T97.9Very high96.9Very high5 Ų553.8 Ų53.83%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-128.9131-175.8-59.30000110.6E139 L140 T142 P143 S144 V145 T227E139-T235 CarbonylContact C-O 3.6Å; E139-T235 WeakPolarHBondContact CA-O 3.23Å; L140-T235 PolarHBondContact N-O 3.5Å; L140-T235 PolarHBondContact O-N 3.09Å; L140-T235 VanDerWaalsContact O-N 3.14Å; T142-T235 WeakPolarHBondContact O-CB 3.48Å; T142-T235 PolarHBondContact O-N 3.12Å; T142-T235 VanDerWaalsContact O-N 3.09Å; T142-T235 PolarHBondContact O-OG1 2.85Å; P143-T235 VanDerWaalsContact C-OG1 3.23Å; P143-T235 PolarHBondContact O-OG1 2.91Å; S144-T235 WeakPolarHBondContact CA-OG1 3.26Å; S144-T235 PolarHBondContact N-OG1 2.83Å; V145-T235 HydrophobicContact CG2-CG2 4.15Å; T227-T235 VanDerWaalsContact CB-CG2 3.47Å; T227-T235 HydrophobicContact CG2-CG2 3.65Å
236N98.1Very high96.9Very high35 Ų3554.9 Ų54.919%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-92.1108.3174.4-71-19.3000109.6I138 E139 T227 E228I138-N236 CarbonylContact O-C 3.5Å; I138-N236 WeakPolarHBondContact O-CA 3.45Å; E139-N236 WeakPolarHBondContact CB-OD1 3.08Å; E139-N236 WeakPolarHBondContact CG-OD1 3.43Å; T227-N236 CarbonylContact C-O 3.56Å; T227-N236 WeakPolarHBondContact CA-O 3.4Å; E228-N236 HydrophobicContact CB-CB 4.34Å; E228-N236 PolarHBondContact N-O 2.89Å; E228-N236 PolarHBondContact O-N 2.88Å
237L98.5Very high96.9Very high1 Ų159.7 Ų59.71%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-77.5127.1169.4174.762.1000109.8I114 T137 I138 L140 L150 L153 L224 T227I114-L237 HydrophobicContact CG2-CD2 3.58Å; T137-L237 CarbonylContact C-O 3.58Å; T137-L237 VanDerWaalsContact CA-O 3.24Å; T137-L237 WeakPolarHBondContact CA-O 3.32Å; I138-L237 PolarHBondContact N-O 2.8Å; I138-L237 PolarHBondContact O-N 2.87Å; L140-L237 HydrophobicContact CD1-CB 4.11Å; L140-L237 HydrophobicContact CD1-CD2 4.3Å; L140-L237 HydrophobicContact CG-CB 4.5Å; L150-L237 HydrophobicContact CD1-CD1 3.23Å; L153-L237 HydrophobicContact CD2-CD2 4.07Å; L224-L237 HydrophobicContact CB-CD1 4.29Å; L224-L237 HydrophobicContact CD1-CD1 4.27Å; L224-L237 HydrophobicContact CD1-CD2 4.4Å; L224-L237 HydrophobicContact CD2-CD1 4.36Å; L224-L237 HydrophobicContact CD2-CD2 4.28Å; L224-L237 HydrophobicContact CD2-CG 4.48Å; T227-L237 HydrophobicContact CG2-CD1 4.25Å
238I98.4Very high96.9Very high9 Ų962 Ų625%0.04629%0.289CS..EExtended strand (participates in β ladder)trans-103.1130.8179.9-54.5168000109.2R135 S136 T137 L225 G226 E228R135-I238 HydrophobicContact CB-CG2 3.99Å; R135-I238 HydrophobicContact CG-CG2 4.27Å; S136-I238 WeakPolarHBondContact O-CA 3.42Å; T137-I238 HydrophobicContact CG2-CG1 4.29Å; L225-I238 HydrophobicContact CB-CB 4.25Å; L225-I238 HydrophobicContact CB-CG2 4.07Å; L225-I238 HydrophobicContact CD1-CG2 3.95Å; L225-I238 HydrophobicContact CG-CG2 4.38Å; L225-I238 PolarHBondContact N-O 3.28Å; G226-I238 PolarHBondContact O-N 3.15Å; E228-I238 HydrophobicContact CB-CD1 4.4Å; E228-I238 VanDerWaalsContact CD-CD1 3.44Å; E228-I238 HydrophobicContact CG-CD1 3.69Å; E228-I238 VanDerWaalsContact OE1-CD1 3.3Å; E228-I238 WeakPolarHBondContact OE1-CD1 3.48Å
239F98.7Very high96.9Very high0 Ų060.6 Ų60.60%029%0.292CS..EExtended strand (participates in β ladder)trans-140.8159.6-178.675.4-78.8000113.4Q111 I114 L131 S136 I138 K223 L224Q111-F239 HydrophobicContact CB-CZ 3.84Å; I114-F239 HydrophobicContact CD1-CB 3.86Å; I114-F239 HydrophobicContact CD1-CD1 4.09Å; I114-F239 HydrophobicContact CD1-CD2 3.48Å; I114-F239 VanDerWaalsContact CD1-CD2 3.48Å; I114-F239 HydrophobicContact CD1-CE2 4.01Å; I114-F239 HydrophobicContact CD1-CG 3.53Å; L131-F239 HydrophobicContact CD2-CZ 4.04Å; S136-F239 PolarHBondContact N-O 3.25Å; S136-F239 VanDerWaalsContact N-O 3.12Å; S136-F239 WeakPolarHBondContact O-CD1 3.26Å; S136-F239 PolarHBondContact O-N 2.92Å; I138-F239 HydrophobicContact CD1-CD1 4.25Å; I138-F239 HydrophobicContact CD1-CE1 3.96Å; I138-F239 HydrophobicContact CG1-CD1 4.05Å; I138-F239 HydrophobicContact CG1-CE1 3.64Å; K223-F239 CarbonylContact O-C 3.37Å; K223-F239 VanDerWaalsContact O-CA 3.27Å; K223-F239 WeakPolarHBondContact O-CA 3.41Å; L224-F239 HydrophobicContact CD2-CB 3.63Å
240L98.6Very high97Very high9 Ų956.8 Ų56.85%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-128.5143.5171.3-58179.7000108.9H134 R135 I222 K223 L225 R244 V245 Y248H134-L240 VanDerWaalsContact O-CD2 3.23Å; H134-L240 WeakPolarHBondContact O-CD2 3.4Å; R135-L240 HydrophobicContact CB-CD2 4.16Å; I222-L240 CarbonylContact C-O 3.56Å; I222-L240 WeakPolarHBondContact CA-O 3.17Å; K223-L240 PolarHBondContact N-O 2.86Å; K223-L240 PolarHBondContact O-N 3.05Å; L225-L240 HydrophobicContact CD1-CD1 3.96Å; L225-L240 HydrophobicContact CD1-CD2 4.34Å; L225-L240 HydrophobicContact CD1-CG 3.89Å; L225-L240 HydrophobicContact CD2-CD1 4.14Å; L225-L240 HydrophobicContact CD2-CG 4.48Å; L225-L240 HydrophobicContact CG-CD1 4.35Å; L225-L240 HydrophobicContact CG-CG 4.22Å; L240-R244 HydrophobicContact CB-CB 4.23Å; L240-R244 HydrophobicContact CD2-CB 4.3Å; L240-V245 HydrophobicContact CB-CG2 3.71Å; L240-V245 WeakPolarHBondContact O-CG2 3.06Å; L240-Y248 HydrophobicContact CD1-CD2 4.17Å; L240-Y248 HydrophobicContact CD1-CG 3.91Å
241T98.6Very high97.1Very high0 Ų063.1 Ų63.10%030%0.3CS..EExtended strand (participates in β ladder)trans-125.8147.1175-45.10000111Q106 Q107 L219 V221 I222 N243 R244Q106-T241 HydrophobicContact CB-CG2 4.02Å; Q106-T241 WeakPolarHBondContact O-CG2 3.21Å; Q107-T241 PolarHBondContact NE2-O 3.12Å; Q107-T241 VanDerWaalsContact OE1-CB 3.27Å; Q107-T241 PolarHBondContact OE1-OG1 2.96Å; L219-T241 HydrophobicContact CB-CG2 3.76Å; L219-T241 HydrophobicContact CD2-CG2 3.94Å; L219-T241 HydrophobicContact CG-CG2 4.3Å; V221-T241 CarbonylContact O-C 3.55Å; V221-T241 WeakPolarHBondContact O-CA 3.3Å; I222-T241 HydrophobicContact CD1-CG2 4.06Å; I222-T241 HydrophobicContact CG1-CG2 3.58Å; T241-N243 PolarHBondContact O-N 2.88Å; T241-R244 PolarHBondContact O-N 2.93Å
242G98.3Very high97.3Very high0 Ų058.8 Ų58.80%029%0.288CS..THydrogen-bonded Turntrans60.1-130.6168.500000114.1L219 V221 R244 V245 L246L219-G242 WeakPolarHBondContact O-CA 3.49Å; L219-G242 PolarHBondContact O-N 2.93Å; L219-G242 VanDerWaalsContact O-N 3.14Å; V221-G242 PolarHBondContact O-N 3.33Å; G242-R244 PolarHBondContact O-N 2.85Å; G242-V245 WeakPolarHBondContact O-CB 3.45Å; G242-V245 PolarHBondContact O-N 2.78Å; G242-L246 PolarHBondContact O-N 3.4Å
243N97.1Very high97.5Very high57 Ų5755 Ų5531%0.30527%0.269SS..Hα-helixtrans-61.2-22.9-174.5-165.332.9000113.1T241 V245 L246 K247T241-N243 PolarHBondContact O-N 2.88Å; N243-V245 VanDerWaalsContact C-N 3.31Å; N243-V245 PolarHBondContact O-N 3.32Å; N243-L246 PolarHBondContact O-N 2.94Å; N243-K247 WeakPolarHBondContact ND2-CE 3.45Å; N243-K247 WeakPolarHBondContact O-CG 3.48Å; N243-K247 PolarHBondContact O-N 3.13Å
244R97.9Very high97.7Very high24 Ų2450.8 Ų50.89%0.09125%0.25CC..Hα-helixtrans-64.7-35.6173.2-61.6-169.5-175.9-167.5-1.7112.3D103 G132 R133 L240 T241 G242 Y248D103-R244 WeakPolarHBondContact OD1-CG 3.42Å; D103-R244 IonicContact OD1-CZ 2.59Å; D103-R244 IonicContact OD1-NE 3.67Å; D103-R244 PolarHBondContact OD1-NE 3.08Å; D103-R244 IonicContact OD1-NH2 2.69Å; D103-R244 IonicContact OD2-CZ 2.81Å; D103-R244 IonicContact OD2-NE 2.92Å; D103-R244 PolarHBondContact OD2-NE 3.05Å; D103-R244 VanDerWaalsContact OD2-NE 3.15Å; D103-R244 IonicContact OD2-NH2 3.61Å; D103-R244 PolarHBondContact OD2-NH2 3.48Å; G132-R244 PolarHBondContact O-NH1 2.86Å; G132-R244 PolarHBondContact O-NH2 3.4Å; R133-R244 PolarHBondContact O-NH2 2.87Å; L240-R244 HydrophobicContact CB-CB 4.23Å; L240-R244 HydrophobicContact CD2-CB 4.3Å; T241-R244 PolarHBondContact O-N 2.93Å; G242-R244 PolarHBondContact O-N 2.85Å; R244-Y248 WeakPolarHBondContact O-CB 3.48Å; R244-Y248 PolarHBondContact O-N 3.44Å
245V98.4Very high97.8Very high15 Ų1551.8 Ų51.89%0.09126%0.261CS..Hα-helixtrans-67.7-41.6175.2-178.70000110.2V221 K223 L240 G242 N243 Y248 A249V221-V245 HydrophobicContact CG1-CB 3.66Å; V221-V245 HydrophobicContact CG1-CG1 3.71Å; V221-V245 HydrophobicContact CG1-CG2 4Å; V221-V245 HydrophobicContact CG2-CG1 4.2Å; K223-V245 HydrophobicContact CB-CG1 4.09Å; K223-V245 HydrophobicContact CB-CG2 3.97Å; L240-V245 HydrophobicContact CB-CG2 3.71Å; L240-V245 WeakPolarHBondContact O-CG2 3.06Å; G242-V245 WeakPolarHBondContact O-CB 3.45Å; G242-V245 PolarHBondContact O-N 2.78Å; N243-V245 VanDerWaalsContact C-N 3.31Å; N243-V245 PolarHBondContact O-N 3.32Å; V245-Y248 WeakPolarHBondContact O-CB 3.36Å; V245-Y248 PolarHBondContact O-N 2.98Å; V245-A249 WeakPolarHBondContact O-CB 3.21Å; V245-A249 PolarHBondContact O-N 3.47Å
246L96.9Very high97.7Very high93 Ų9355.2 Ų55.249%0.48728%0.276SS..Hα-helixtrans-63.2-46176.9-58.5-178.5000111.6G242 N243 Y248 A249 E250G242-L246 PolarHBondContact O-N 3.4Å; N243-L246 PolarHBondContact O-N 2.94Å; L246-Y248 VanDerWaalsContact C-N 3.28Å; L246-Y248 PolarHBondContact O-N 2.79Å; L246-A249 PolarHBondContact O-N 3.45Å; L246-E250 PolarHBondContact O-N 3.19Å
247K96.9Very high97.6Very high117 Ų11761.2 Ų61.251%0.50930%0.296SS..Hα-helixtrans-60.1-38.1174-72.3176.3-178.91730111.8E99 N243 K251E99-K247 IonicContact OE1-NZ 2.75Å; E99-K247 PolarHBondContact OE1-NZ 3.36Å; N243-K247 WeakPolarHBondContact ND2-CE 3.45Å; N243-K247 WeakPolarHBondContact O-CG 3.48Å; N243-K247 PolarHBondContact O-N 3.13Å; K247-K251 WeakPolarHBondContact O-CB 3.41Å; K247-K251 PolarHBondContact O-N 2.73Å; K247-K251 VanDerWaalsContact O-N 3.16Å
248Y97.6Very high97.6Very high109 Ų10964.4 Ų64.443%0.42732%0.319SS..Hα-helixtrans-66.9-45.8175176.6-96.2000112.2L225 L240 R244 V245 L246 E250 K251 S252L225-Y248 HydrophobicContact CD2-CE1 4.25Å; L225-Y248 HydrophobicContact CD2-CE2 4.3Å; L240-Y248 HydrophobicContact CD1-CD2 4.17Å; L240-Y248 HydrophobicContact CD1-CG 3.91Å; R244-Y248 WeakPolarHBondContact O-CB 3.48Å; R244-Y248 PolarHBondContact O-N 3.44Å; V245-Y248 WeakPolarHBondContact O-CB 3.36Å; V245-Y248 PolarHBondContact O-N 2.98Å; L246-Y248 VanDerWaalsContact C-N 3.28Å; L246-Y248 PolarHBondContact O-N 2.79Å; Y248-E250 PolarHBondContact O-N 3.06Å; Y248-K251 PolarHBondContact O-N 3.05Å; Y248-S252 PolarHBondContact O-N 3.44Å; Y248-S252 PolarHBondContact O-OG 3.31Å
249A97.4Very high97.5Very high51 Ų5167.1 Ų67.142%0.42133%0.333SS..Hα-helixtrans-60.8-44.5178.500000111.8V245 L246 K251 S252 Y253V245-A249 WeakPolarHBondContact O-CB 3.21Å; V245-A249 PolarHBondContact O-N 3.47Å; L246-A249 PolarHBondContact O-N 3.45Å; A249-K251 VanDerWaalsContact C-N 3.34Å; A249-K251 PolarHBondContact O-N 2.94Å; A249-S252 PolarHBondContact O-N 3.47Å; A249-Y253 WeakPolarHBondContact O-CB 3.19Å; A249-Y253 PolarHBondContact O-N 3.35Å
250E97.8Very high97.5Very high118 Ų11869.6 Ų69.655%0.55135%0.348SS*.Hα-helixtrans-63.3-40176.5-177.956.1-149.200112L246 Y248 Y253 S254L246-E250 PolarHBondContact O-N 3.19Å; Y248-E250 PolarHBondContact O-N 3.06Å; E250-Y253 PolarHBondContact O-N 3.2Å; E250-S254 WeakPolarHBondContact O-CB 3.4Å; E250-S254 PolarHBondContact O-N 2.76Å; E250-S254 PolarHBondContact O-OG 3.11Å
251K97.2Very high97.4Very high149 Ų14972.6 Ų72.665%0.64837%0.37SS*.Hα-helixtrans-63.8-41.9174.7-174.1178.7178.6-178.60112K247 Y248 A249 S254 T255K247-K251 WeakPolarHBondContact O-CB 3.41Å; K247-K251 PolarHBondContact O-N 2.73Å; K247-K251 VanDerWaalsContact O-N 3.16Å; Y248-K251 PolarHBondContact O-N 3.05Å; A249-K251 VanDerWaalsContact C-N 3.34Å; A249-K251 PolarHBondContact O-N 2.94Å; K251-S254 WeakPolarHBondContact CA-OG 3.5Å; K251-S254 PolarHBondContact O-OG 2.96Å; K251-T255 WeakPolarHBondContact O-CB 3.44Å; K251-T255 PolarHBondContact O-N 3.23Å; K251-T255 VanDerWaalsContact O-N 3.09Å; K251-T255 PolarHBondContact O-OG1 3.47Å
252S96.5Very high97.3Very high52 Ų5279 Ų7936%0.36440%0.404SS..Hα-helixtrans-64.7-45.9176.8-640000111.1Y248 A249 T255 E256Y248-S252 PolarHBondContact O-N 3.44Å; Y248-S252 PolarHBondContact O-OG 3.31Å; A249-S252 PolarHBondContact O-N 3.47Å; S252-T255 WeakPolarHBondContact O-CB 3.24Å; S252-T255 PolarHBondContact O-N 3.2Å; S252-E256 PolarHBondContact O-N 3.14Å
253Y97Very high97.3Very high122 Ų12280.7 Ų80.748%0.47841%0.412SS..Hα-helixtrans-63.7-44.2178.6-178.5-112.3000113A249 E250 T255 E256 R257A249-Y253 WeakPolarHBondContact O-CB 3.19Å; A249-Y253 PolarHBondContact O-N 3.35Å; E250-Y253 PolarHBondContact O-N 3.2Å; Y253-T255 VanDerWaalsContact C-N 3.3Å; Y253-T255 PolarHBondContact O-N 2.66Å; Y253-E256 PolarHBondContact O-N 2.91Å; Y253-R257 VanDerWaalsContact CE1-CD 3.49Å; Y253-R257 HydrophobicContact CE1-CG 4.09Å; Y253-R257 HydrophobicContact CE2-CG 4.27Å; Y253-R257 WeakPolarHBondContact O-CG 3.41Å; Y253-R257 PolarHBondContact O-N 2.91Å
254S97.7Very high97.2Very high47 Ų4785.9 Ų85.933%0.32943%0.432SS..Hα-helixtrans-63.6-35.1175.255.50000112.8E250 K251 S258E250-S254 WeakPolarHBondContact O-CB 3.4Å; E250-S254 PolarHBondContact O-N 2.76Å; E250-S254 PolarHBondContact O-OG 3.11Å; K251-S254 WeakPolarHBondContact CA-OG 3.5Å; K251-S254 PolarHBondContact O-OG 2.96Å; S254-S258 PolarHBondContact O-N 3.05Å; S254-S258 PolarHBondContact O-OG 3.17Å
255T97.6Very high97.1Very high74 Ų7486.3 Ų86.345%0.45444%0.437SS..Hα-helixtrans-65.4-47173.1-57.20000111K251 S252 Y253 R257 S258 L259K251-T255 WeakPolarHBondContact O-CB 3.44Å; K251-T255 PolarHBondContact O-N 3.23Å; K251-T255 VanDerWaalsContact O-N 3.09Å; K251-T255 PolarHBondContact O-OG1 3.47Å; S252-T255 WeakPolarHBondContact O-CB 3.24Å; S252-T255 PolarHBondContact O-N 3.2Å; Y253-T255 VanDerWaalsContact C-N 3.3Å; Y253-T255 PolarHBondContact O-N 2.66Å; T255-R257 PolarHBondContact O-N 3.35Å; T255-S258 WeakPolarHBondContact O-CB 3.28Å; T255-S258 PolarHBondContact O-N 3.41Å; T255-S258 VanDerWaalsContact O-N 3.11Å; T255-L259 PolarHBondContact O-N 3.25Å
256E96.6Very high97Very high78 Ų7887 Ų8736%0.36445%0.447SS..Hα-helixtrans-60.2-44.2176.5-174.3179.4-93.400112S252 Y253 S258 L259 V260 P267 H270S252-E256 PolarHBondContact O-N 3.14Å; Y253-E256 PolarHBondContact O-N 2.91Å; E256-S258 VanDerWaalsContact C-N 3.26Å; E256-S258 PolarHBondContact O-N 2.96Å; E256-L259 WeakPolarHBondContact O-CA 3.48Å; E256-L259 WeakPolarHBondContact O-CB 3.3Å; E256-L259 PolarHBondContact O-N 2.81Å; E256-V260 PolarHBondContact O-N 2.91Å; E256-P267 HydrophobicContact CG-CB 3.86Å; E256-P267 HydrophobicContact CG-CG 3.88Å; E256-H270 PolarHBondContact O-CE1 3.06Å
257R96.8Very high96.9Very high160 Ų16085 Ų8560%0.60444%0.44SS*.Hα-helixtrans-59.4-36.7173.5-76.1-167.563.3-151.9-3.3113Y253 T255 L259 V260 S261Y253-R257 VanDerWaalsContact CE1-CD 3.49Å; Y253-R257 HydrophobicContact CE1-CG 4.09Å; Y253-R257 HydrophobicContact CE2-CG 4.27Å; Y253-R257 WeakPolarHBondContact O-CG 3.41Å; Y253-R257 PolarHBondContact O-N 2.91Å; T255-R257 PolarHBondContact O-N 3.35Å; R257-L259 VanDerWaalsContact C-N 3.34Å; R257-V260 PolarHBondContact O-N 3.43Å; R257-S261 PolarHBondContact O-N 2.77Å
258S97.7Very high96.9Very high68 Ų6887.5 Ų87.548%0.47646%0.459SS..Hα-helixtrans-66.1-39.9175.3-57.40000110.9S254 T255 E256 S261 L262S254-S258 PolarHBondContact O-N 3.05Å; S254-S258 PolarHBondContact O-OG 3.17Å; T255-S258 WeakPolarHBondContact O-CB 3.28Å; T255-S258 PolarHBondContact O-N 3.41Å; T255-S258 VanDerWaalsContact O-N 3.11Å; E256-S258 VanDerWaalsContact C-N 3.26Å; E256-S258 PolarHBondContact O-N 2.96Å; S258-S261 WeakPolarHBondContact O-CB 3.42Å; S258-S261 PolarHBondContact O-N 3.19Å; S258-L262 WeakPolarHBondContact O-CG 3.4Å; S258-L262 PolarHBondContact O-N 2.89Å
259L97.4Very high96.8Very high67 Ų6786.9 Ų86.935%0.35146%0.46SS..Hα-helixtrans-64.9-39.6174.4-69.4174.5000112.6T255 E256 R257 S261 L262 L263 H270T255-L259 PolarHBondContact O-N 3.25Å; E256-L259 WeakPolarHBondContact O-CA 3.48Å; E256-L259 WeakPolarHBondContact O-CB 3.3Å; E256-L259 PolarHBondContact O-N 2.81Å; R257-L259 VanDerWaalsContact C-N 3.34Å; L259-S261 PolarHBondContact O-N 2.94Å; L259-L262 PolarHBondContact O-N 3.12Å; L259-L262 VanDerWaalsContact O-N 3.13Å; L259-L263 HydrophobicContact CB-CD1 4.43Å; L259-L263 WeakPolarHBondContact O-CB 3.19Å; L259-L263 WeakPolarHBondContact O-CG 3.49Å; L259-L263 PolarHBondContact O-N 2.94Å; L259-H270 WeakPolarHBondContact CB-CE1 3.4Å; L259-H270 WeakPolarHBondContact CB-ND1 3.35Å
260V97.2Very high96.8Very high52 Ų5285.2 Ų85.232%0.31544%0.444SS..Hα-helixtrans-55.3-43.3172.4171.80000110.6E256 R257 K264 P267 H270E256-V260 PolarHBondContact O-N 2.91Å; R257-V260 PolarHBondContact O-N 3.43Å; V260-K264 VanDerWaalsContact O-CA 3.29Å; V260-K264 WeakPolarHBondContact O-CA 3.44Å; V260-K264 PolarHBondContact O-N 2.98Å; V260-P267 HydrophobicContact CG2-CG 4.05Å; V260-H270 WeakPolarHBondContact CG2-NE2 3.47Å; V260-H270 PolarHBondContact N-NE2 3.22Å
261S96.7Very high96.8Very high72 Ų7284.6 Ų84.650%0.50345%0.448SS..Hα-helixtrans-67.8-37.3178.1-172.50000113.1R257 S258 L259 K264R257-S261 PolarHBondContact O-N 2.77Å; S258-S261 WeakPolarHBondContact O-CB 3.42Å; S258-S261 PolarHBondContact O-N 3.19Å; L259-S261 PolarHBondContact O-N 2.94Å; S261-K264 VanDerWaalsContact O-CD 3.27Å; S261-K264 WeakPolarHBondContact O-CD 3.43Å; S261-K264 WeakPolarHBondContact O-CE 3.26Å; S261-K264 PolarHBondContact O-NZ 3.5Å
262L97.3Very high96.8Very high135 Ų13584.1 Ų84.171%0.70745%0.447SS*.Hα-helixtrans-76-44.1-179.5-70.3170.6000112.7S258 L259S258-L262 WeakPolarHBondContact O-CG 3.4Å; S258-L262 PolarHBondContact O-N 2.89Å; L259-L262 PolarHBondContact O-N 3.12Å; L259-L262 VanDerWaalsContact O-N 3.13Å
263L96.9Very high96.8Very high35 Ų3582.5 Ų82.518%0.18344%0.437CS..Hα-helixtrans-89.7-14.4-174.4-61.3176.3000113.1L259 T265 H270 A273 V274 I277L259-L263 HydrophobicContact CB-CD1 4.43Å; L259-L263 WeakPolarHBondContact O-CB 3.19Å; L259-L263 WeakPolarHBondContact O-CG 3.49Å; L259-L263 PolarHBondContact O-N 2.94Å; L263-T265 VanDerWaalsContact C-N 3.26Å; L263-T265 HydrophobicContact CB-CG2 3.96Å; L263-T265 PolarHBondContact O-N 3.2Å; L263-H270 HydrophobicContact CD1-CB 3.94Å; L263-A273 HydrophobicContact CB-CB 4.41Å; L263-A273 HydrophobicContact CD1-CB 4.44Å; L263-V274 HydrophobicContact CD1-CG2 4.03Å; L263-V274 HydrophobicContact CD2-CG2 4.22Å; L263-I277 HydrophobicContact CD2-CD1 3.74Å
264K96.3Very high96.8Very high166 Ų16679.6 Ų79.672%0.72243%0.432SS*.SBendtrans57.137.1-178.7-53.2-59.3-176-163.10113.1V260 S261V260-K264 VanDerWaalsContact O-CA 3.29Å; V260-K264 WeakPolarHBondContact O-CA 3.44Å; V260-K264 PolarHBondContact O-N 2.98Å; S261-K264 VanDerWaalsContact O-CD 3.27Å; S261-K264 WeakPolarHBondContact O-CD 3.43Å; S261-K264 WeakPolarHBondContact O-CE 3.26Å; S261-K264 PolarHBondContact O-NZ 3.5Å
265T95.8Very high96.8Very high33 Ų3381.7 Ų81.720%0.20244%0.437CS..SBendtrans-146.6161.1-175.2-146.40000110.1L263 E269 H270 A273L263-T265 VanDerWaalsContact C-N 3.26Å; L263-T265 HydrophobicContact CB-CG2 3.96Å; L263-T265 PolarHBondContact O-N 3.2Å; T265-E269 HydrophobicContact CG2-CB 3.85Å; T265-E269 WeakPolarHBondContact OG1-CB 3.49Å; T265-E269 PolarHBondContact OG1-OE2 3.01Å; T265-H270 PolarHBondContact O-NE2 3.18Å; T265-A273 HydrophobicContact CG2-CB 3.86Å
266G95.4Very high96.8Very high29 Ų2985.4 Ų85.430%0.29945%0.447SS..  trans-69.9159.4178.900000112.9D268 E269 H270G266-D268 VanDerWaalsContact C-N 3.3Å; G266-D268 PolarHBondContact O-N 3.39Å; G266-E269 PolarHBondContact N-OE2 3.39Å; G266-E269 VanDerWaalsContact N-OE2 3.17Å; G266-E269 PolarHBondContact O-N 3.07Å; G266-H270 PolarHBondContact O-CD2 3.18Å; G266-H270 PolarHBondContact O-N 3.28Å; G266-H270 PolarHBondContact O-NE2 3.4Å
267P94.9Very high96.9Very high52 Ų5286.1 Ų86.134%0.33845%0.452SS..G310 helixtrans-50.6-43.6-179.8-3037.6000115E256 V260 E269 H270E256-P267 HydrophobicContact CG-CB 3.86Å; E256-P267 HydrophobicContact CG-CG 3.88Å; V260-P267 HydrophobicContact CG2-CG 4.05Å; P267-E269 PolarHBondContact O-N 3.3Å; P267-E269 VanDerWaalsContact O-N 3.1Å; P267-H270 WeakPolarHBondContact O-CB 3.25Å; P267-H270 PolarHBondContact O-N 3.16Å; P267-H270 VanDerWaalsContact O-N 3.1Å
268D96.6Very high96.9Very high168 Ų16883.9 Ų83.990%0.89845%0.448SS*.G310 helixtrans-63.3-20-178.6-59.8-39.1000113G266G266-D268 VanDerWaalsContact C-N 3.3Å; G266-D268 PolarHBondContact O-N 3.39Å
269E96.6Very high96.9Very high97 Ų9787.2 Ų87.245%0.45345%0.454SS..G310 helixtrans-101.8-2.8-178.3-58.6172.4131.300112.7T265 G266 P267 V271 E272 A273T265-E269 HydrophobicContact CG2-CB 3.85Å; T265-E269 WeakPolarHBondContact OG1-CB 3.49Å; T265-E269 PolarHBondContact OG1-OE2 3.01Å; G266-E269 PolarHBondContact N-OE2 3.39Å; G266-E269 VanDerWaalsContact N-OE2 3.17Å; G266-E269 PolarHBondContact O-N 3.07Å; P267-E269 PolarHBondContact O-N 3.3Å; P267-E269 VanDerWaalsContact O-N 3.1Å; E269-V271 VanDerWaalsContact C-N 3.29Å; E269-V271 PolarHBondContact O-N 2.97Å; E269-E272 PolarHBondContact O-N 3.06Å; E269-A273 WeakPolarHBondContact O-CB 3.31Å; E269-A273 PolarHBondContact O-N 2.89Å
270H96.5Very high97Very high16 Ų1686.8 Ų86.87%0.07446%0.457CS..Hα-helixtrans-57.4-42.2-175.2-76.3-178000112.4E256 L259 V260 L263 T265 G266 P267 A273 V274E256-H270 PolarHBondContact O-CE1 3.06Å; L259-H270 WeakPolarHBondContact CB-CE1 3.4Å; L259-H270 WeakPolarHBondContact CB-ND1 3.35Å; V260-H270 WeakPolarHBondContact CG2-NE2 3.47Å; V260-H270 PolarHBondContact N-NE2 3.22Å; L263-H270 HydrophobicContact CD1-CB 3.94Å; T265-H270 PolarHBondContact O-NE2 3.18Å; G266-H270 PolarHBondContact O-CD2 3.18Å; G266-H270 PolarHBondContact O-N 3.28Å; G266-H270 PolarHBondContact O-NE2 3.4Å; P267-H270 WeakPolarHBondContact O-CB 3.25Å; P267-H270 PolarHBondContact O-N 3.16Å; P267-H270 VanDerWaalsContact O-N 3.1Å; H270-A273 PolarHBondContact O-N 3.23Å; H270-V274 VanDerWaalsContact O-CG2 3.31Å; H270-V274 WeakPolarHBondContact O-CG2 3.44Å; H270-V274 PolarHBondContact O-N 3.23Å
271V97.4Very high97Very high105 Ų10587.6 Ų87.664%0.63646%0.462SS*.Hα-helixtrans-63.3-49179.6178.20000110.6E269 A273 V274 E275E269-V271 VanDerWaalsContact C-N 3.29Å; E269-V271 PolarHBondContact O-N 2.97Å; V271-A273 VanDerWaalsContact C-N 3.35Å; V271-A273 PolarHBondContact O-N 2.79Å; V271-V274 PolarHBondContact O-N 2.87Å; V271-E275 WeakPolarHBondContact O-CG 3.47Å; V271-E275 PolarHBondContact O-N 3.19Å
272E97.2Very high97.1Very high138 Ų13891.2 Ų91.265%0.64547%0.469SS*.Hα-helixtrans-61.4-43.2178.7-173.5-176.7165.900111.6E269 V274 E275 K276E269-E272 PolarHBondContact O-N 3.06Å; E272-V274 VanDerWaalsContact C-N 3.35Å; E272-V274 PolarHBondContact O-N 3.47Å; E272-E275 PolarHBondContact O-N 3.41Å; E272-K276 WeakPolarHBondContact O-CB 3.34Å; E272-K276 PolarHBondContact O-N 2.96Å
273A97.2Very high97.1Very high18 Ų1890.1 Ų90.115%0.14946%0.463CS..Hα-helixtrans-61.2-42.4177.500000112L263 T265 E269 H270 V271 K276 I277L263-A273 HydrophobicContact CB-CB 4.41Å; L263-A273 HydrophobicContact CD1-CB 4.44Å; T265-A273 HydrophobicContact CG2-CB 3.86Å; E269-A273 WeakPolarHBondContact O-CB 3.31Å; E269-A273 PolarHBondContact O-N 2.89Å; H270-A273 PolarHBondContact O-N 3.23Å; V271-A273 VanDerWaalsContact C-N 3.35Å; V271-A273 PolarHBondContact O-N 2.79Å; A273-K276 PolarHBondContact O-N 3.49Å; A273-I277 WeakPolarHBondContact O-CG1 3.28Å; A273-I277 PolarHBondContact O-N 2.95Å
274V97.8Very high97.1Very high61 Ų6193.6 Ų93.637%0.3748%0.481SS..Hα-helixtrans-63.9-44.5174.8170.80000111.2L263 H270 V271 E272 K276 I277 Q278L263-V274 HydrophobicContact CD1-CG2 4.03Å; L263-V274 HydrophobicContact CD2-CG2 4.22Å; H270-V274 VanDerWaalsContact O-CG2 3.31Å; H270-V274 WeakPolarHBondContact O-CG2 3.44Å; H270-V274 PolarHBondContact O-N 3.23Å; V271-V274 PolarHBondContact O-N 2.87Å; E272-V274 VanDerWaalsContact C-N 3.35Å; E272-V274 PolarHBondContact O-N 3.47Å; V274-K276 VanDerWaalsContact C-N 3.31Å; V274-K276 PolarHBondContact O-N 3.44Å; V274-I277 PolarHBondContact O-N 3.49Å; V274-Q278 HydrophobicContact CG1-CG 4.49Å; V274-Q278 WeakPolarHBondContact O-CG 3.23Å; V274-Q278 PolarHBondContact O-N 3.32Å
275E97.8Very high97.1Very high92 Ų9291.4 Ų91.443%0.4347%0.473SS..Hα-helixtrans-59.9-41.4176.1-74-167.4174.300112.3V271 E272 Q278 K279V271-E275 WeakPolarHBondContact O-CG 3.47Å; V271-E275 PolarHBondContact O-N 3.19Å; E272-E275 PolarHBondContact O-N 3.41Å; E275-Q278 PolarHBondContact O-N 3.16Å; E275-K279 WeakPolarHBondContact O-CB 3.45Å; E275-K279 VanDerWaalsContact O-CG 3.31Å; E275-K279 WeakPolarHBondContact O-CG 3.43Å; E275-K279 PolarHBondContact O-N 3.14Å; E275-K279 IonicContact OE2-NZ 2.96Å
276K97.1Very high97.1Very high152 Ų15297.2 Ų97.266%0.66150%0.496SS*.Hα-helixtrans-63-43.6176.9-174178-179.5178.50111.5E272 A273 V274 K279 S280E272-K276 WeakPolarHBondContact O-CB 3.34Å; E272-K276 PolarHBondContact O-N 2.96Å; A273-K276 PolarHBondContact O-N 3.49Å; V274-K276 VanDerWaalsContact C-N 3.31Å; V274-K276 PolarHBondContact O-N 3.44Å; K276-K279 PolarHBondContact O-N 3.45Å; K276-S280 WeakPolarHBondContact O-CB 3.46Å; K276-S280 PolarHBondContact O-N 2.91Å
277I97.7Very high97.1Very high92 Ų9298.4 Ų98.447%0.47250%0.5SS..Hα-helixtrans-60.6-47.4174.7-69.5166000110.2L263 A273 V274 K279 S280 V281L263-I277 HydrophobicContact CD2-CD1 3.74Å; A273-I277 WeakPolarHBondContact O-CG1 3.28Å; A273-I277 PolarHBondContact O-N 2.95Å; V274-I277 PolarHBondContact O-N 3.49Å; I277-K279 PolarHBondContact O-N 2.79Å; I277-S280 WeakPolarHBondContact O-CB 3.34Å; I277-S280 PolarHBondContact O-N 3.3Å; I277-V281 HydrophobicContact CG2-CG2 4.39Å; I277-V281 WeakPolarHBondContact O-CG2 3.22Å; I277-V281 PolarHBondContact O-N 3.14Å
278Q97.9Very high97.2Very high114 Ų11499.9 Ų99.953%0.53350%0.504SS..Hα-helixtrans-61.4-42.7178.5-72.2-177.6-7.200112.6V274 E275 V281 K282V274-Q278 HydrophobicContact CG1-CG 4.49Å; V274-Q278 WeakPolarHBondContact O-CG 3.23Å; V274-Q278 PolarHBondContact O-N 3.32Å; E275-Q278 PolarHBondContact O-N 3.16Å; Q278-V281 PolarHBondContact O-N 2.74Å; Q278-K282 WeakPolarHBondContact O-CG 3.33Å; Q278-K282 PolarHBondContact O-N 3.27Å; Q278-K282 VanDerWaalsContact O-N 3.11Å
279K98.1Very high97Very high137 Ų13795 Ų9560%0.59648%0.478SS*.Hα-helixtrans-61.6-44.2174.5-74168-176.8159.60111E275 K276 I277 K282 L283E275-K279 WeakPolarHBondContact O-CB 3.45Å; E275-K279 VanDerWaalsContact O-CG 3.31Å; E275-K279 WeakPolarHBondContact O-CG 3.43Å; E275-K279 PolarHBondContact O-N 3.14Å; E275-K279 IonicContact OE2-NZ 2.96Å; K276-K279 PolarHBondContact O-N 3.45Å; I277-K279 PolarHBondContact O-N 2.79Å; K279-K282 PolarHBondContact O-N 2.84Å; K279-L283 PolarHBondContact O-N 2.84Å
280S98.1Very high97Very high59 Ų5993 Ų9341%0.41348%0.475SS..Hα-helixtrans-62.8-42.9177.1-169.60000112.3K276 I277 K282 L283 L284K276-S280 WeakPolarHBondContact O-CB 3.46Å; K276-S280 PolarHBondContact O-N 2.91Å; I277-S280 WeakPolarHBondContact O-CB 3.34Å; I277-S280 PolarHBondContact O-N 3.3Å; S280-K282 PolarHBondContact O-N 3.1Å; S280-L283 PolarHBondContact O-N 2.81Å; S280-L284 WeakPolarHBondContact O-CB 3.29Å; S280-L284 VanDerWaalsContact O-CG 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.25Å; S280-L284 PolarHBondContact O-N 2.84Å
281V98.1Very high97.1Very high69 Ų6997.7 Ų97.742%0.41850%0.5SS..Hα-helixtrans-60.6-45.6176.7168.80000110.9I277 Q278 L283 L284 Q285I277-V281 HydrophobicContact CG2-CG2 4.39Å; I277-V281 WeakPolarHBondContact O-CG2 3.22Å; I277-V281 PolarHBondContact O-N 3.14Å; Q278-V281 PolarHBondContact O-N 2.74Å; V281-L283 PolarHBondContact O-N 2.8Å; V281-L284 PolarHBondContact O-N 2.79Å; V281-Q285 WeakPolarHBondContact O-CB 3.48Å; V281-Q285 VanDerWaalsContact O-CG 3.3Å; V281-Q285 WeakPolarHBondContact O-CG 3.33Å; V281-Q285 PolarHBondContact O-N 2.96Å
282K97.8Very high97Very high148 Ų14893.1 Ų93.164%0.64347%0.472SS*.Hα-helixtrans-62-41.5176.4-72.2178.3-179.1176.90112.2Q278 K279 S280 Q285 K286Q278-K282 WeakPolarHBondContact O-CG 3.33Å; Q278-K282 PolarHBondContact O-N 3.27Å; Q278-K282 VanDerWaalsContact O-N 3.11Å; K279-K282 PolarHBondContact O-N 2.84Å; S280-K282 PolarHBondContact O-N 3.1Å; K282-Q285 PolarHBondContact O-N 3.46Å; K282-K286 PolarHBondContact O-N 3.3Å; K282-K286 VanDerWaalsContact O-N 3.11Å
283L97.8Very high97Very high112 Ų11290.4 Ų90.459%0.58646%0.456SS*.Hα-helixtrans-62.1-49.6176.4-172.586.8000110.9K279 S280 V281 Q285 K286 S287K279-L283 PolarHBondContact O-N 2.84Å; S280-L283 PolarHBondContact O-N 2.81Å; V281-L283 PolarHBondContact O-N 2.8Å; L283-Q285 VanDerWaalsContact C-N 3.32Å; L283-Q285 PolarHBondContact O-N 3.09Å; L283-K286 WeakPolarHBondContact O-CB 3.38Å; L283-K286 PolarHBondContact O-N 2.89Å; L283-K286 VanDerWaalsContact O-N 3.11Å; L283-S287 PolarHBondContact O-N 3.12Å; L283-S287 PolarHBondContact O-OG 3.49Å
284L97.6Very high97Very high107 Ų10793.8 Ų93.856%0.5647%0.471SS*.Hα-helixtrans-61.1-39.4179.7-73171.2000112.1S280 V281 S287 N288S280-L284 WeakPolarHBondContact O-CB 3.29Å; S280-L284 VanDerWaalsContact O-CG 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.25Å; S280-L284 PolarHBondContact O-N 2.84Å; V281-L284 PolarHBondContact O-N 2.79Å; L284-S287 PolarHBondContact O-N 3.29Å; L284-N288 VanDerWaalsContact O-CB 3.31Å; L284-N288 WeakPolarHBondContact O-CB 3.32Å; L284-N288 PolarHBondContact O-N 3.5Å
285Q95.3Very high97Very high120 Ų12093.7 Ų93.756%0.56147%0.467SS*.Hα-helixtrans-60.8-44.7173.3-75.1172.6-23.800111.7V281 K282 L283 N288 L289V281-Q285 WeakPolarHBondContact O-CB 3.48Å; V281-Q285 VanDerWaalsContact O-CG 3.3Å; V281-Q285 WeakPolarHBondContact O-CG 3.33Å; V281-Q285 PolarHBondContact O-N 2.96Å; K282-Q285 PolarHBondContact O-N 3.46Å; L283-Q285 VanDerWaalsContact C-N 3.32Å; L283-Q285 PolarHBondContact O-N 3.09Å; Q285-N288 PolarHBondContact O-N 2.92Å; Q285-L289 WeakPolarHBondContact O-CG 3.31Å; Q285-L289 PolarHBondContact O-N 2.75Å
286K95.6Very high97Very high156 Ų15689.3 Ų89.368%0.67845%0.447SS*.Hα-helixtrans-64.1-43.8176.9-174.1-180177.8-177.30111.9K282 L283 L289 S290K282-K286 PolarHBondContact O-N 3.3Å; K282-K286 VanDerWaalsContact O-N 3.11Å; L283-K286 WeakPolarHBondContact O-CB 3.38Å; L283-K286 PolarHBondContact O-N 2.89Å; L283-K286 VanDerWaalsContact O-N 3.11Å; K286-L289 PolarHBondContact O-N 3.47Å; K286-S290 PolarHBondContact O-N 3.34Å
287S96.7Very high97Very high54 Ų5483.5 Ų83.538%0.37842%0.424SS..Hα-helixtrans-63-42176.3-67.10000111.8L283 L284 L289 S290 L291L283-S287 PolarHBondContact O-N 3.12Å; L283-S287 PolarHBondContact O-OG 3.49Å; L284-S287 PolarHBondContact O-N 3.29Å; S287-L289 PolarHBondContact O-N 3.39Å; S287-S290 WeakPolarHBondContact O-CB 3.38Å; S287-S290 PolarHBondContact O-N 3.21Å; S287-L291 WeakPolarHBondContact O-CG 3.17Å; S287-L291 PolarHBondContact O-N 2.92Å
288N95.7Very high97Very high82 Ų8284.3 Ų84.344%0.43943%0.429SS..Hα-helixtrans-60-47.1176.4-171.411.6000111.4L284 Q285 S290 L291 L292L284-N288 VanDerWaalsContact O-CB 3.31Å; L284-N288 WeakPolarHBondContact O-CB 3.32Å; L284-N288 PolarHBondContact O-N 3.5Å; Q285-N288 PolarHBondContact O-N 2.92Å; N288-S290 VanDerWaalsContact C-N 3.31Å; N288-S290 PolarHBondContact O-N 3.48Å; N288-L291 PolarHBondContact O-N 3.45Å; N288-L292 WeakPolarHBondContact O-CG 3.46Å; N288-L292 PolarHBondContact O-N 2.79Å
289L94Very high96.9Very high67 Ų6780.3 Ų80.335%0.35141%0.411SS..Hα-helixtrans-59.2-41.8174.4-69175.1000112Q285 K286 S287 L292 R293 D321Q285-L289 WeakPolarHBondContact O-CG 3.31Å; Q285-L289 PolarHBondContact O-N 2.75Å; K286-L289 PolarHBondContact O-N 3.47Å; S287-L289 PolarHBondContact O-N 3.39Å; L289-L292 PolarHBondContact O-N 3.15Å; L289-R293 VanDerWaalsContact O-CG 3.27Å; L289-R293 WeakPolarHBondContact O-CG 3.4Å; L289-R293 PolarHBondContact O-N 2.89Å; L289-D321 WeakPolarHBondContact CD2-OD2 3.37Å
290S96.5Very high96.8Very high55 Ų5573.8 Ų73.839%0.38538%0.383SS..Hα-helixtrans-61-47175.9-162.60000112.2K286 S287 N288 L292 R293 D294K286-S290 PolarHBondContact O-N 3.34Å; S287-S290 WeakPolarHBondContact O-CB 3.38Å; S287-S290 PolarHBondContact O-N 3.21Å; N288-S290 VanDerWaalsContact C-N 3.31Å; N288-S290 PolarHBondContact O-N 3.48Å; S290-L292 VanDerWaalsContact C-N 3.33Å; S290-L292 PolarHBondContact O-N 3.28Å; S290-R293 WeakPolarHBondContact O-CB 3.22Å; S290-R293 PolarHBondContact O-N 2.69Å; S290-R293 VanDerWaalsContact O-N 3.16Å; S290-D294 PolarHBondContact O-N 3.33Å
291L97.3Very high96.6Very high114 Ų11477 Ų7760%0.59739%0.386SS*.Hα-helixtrans-64.7-37.6179.1-69.9172.8000111.9S287 N288 R293 D294 M295S287-L291 WeakPolarHBondContact O-CG 3.17Å; S287-L291 PolarHBondContact O-N 2.92Å; N288-L291 PolarHBondContact O-N 3.45Å; L291-R293 VanDerWaalsContact C-N 3.34Å; L291-D294 PolarHBondContact O-N 3.4Å; L291-M295 VanDerWaalsContact O-CB 3.24Å; L291-M295 WeakPolarHBondContact O-CB 3.32Å; L291-M295 PolarHBondContact O-N 2.89Å
292L96.9Very high96.5Very high9 Ų979.5 Ų79.55%0.04740%0.397CS..Hα-helixtrans-61.1-43.6173-73.7168.6000110.9N288 L289 S290 M295 A296 K317 E319 F324N288-L292 WeakPolarHBondContact O-CG 3.46Å; N288-L292 PolarHBondContact O-N 2.79Å; L289-L292 PolarHBondContact O-N 3.15Å; S290-L292 VanDerWaalsContact C-N 3.33Å; S290-L292 PolarHBondContact O-N 3.28Å; L292-M295 HydrophobicContact CD2-CE 4.06Å; L292-M295 PolarHBondContact O-N 2.94Å; L292-A296 WeakPolarHBondContact O-CB 3.36Å; L292-A296 PolarHBondContact O-N 2.9Å; L292-K317 HydrophobicContact CD2-CG 4.37Å; L292-E319 WeakPolarHBondContact CD1-O 3.33Å; L292-E319 HydrophobicContact CD2-CB 4.39Å; L292-F324 HydrophobicContact CB-CD2 4.03Å; L292-F324 HydrophobicContact CD2-CD2 4.39Å; L292-F324 WeakPolarHBondContact O-CD2 3.36Å; L292-F324 VanDerWaalsContact O-CE2 3.28Å; L292-F324 WeakPolarHBondContact O-CE2 3.1Å
293R96.2Very high96.3Very high80 Ų8073.5 Ų73.530%0.30237%0.371SS..Hα-helixtrans-61.4-46.7175.7-66172.9-179.5120.95.9111.9L289 S290 L291 M295 A296 V297 E323 I327L289-R293 VanDerWaalsContact O-CG 3.27Å; L289-R293 WeakPolarHBondContact O-CG 3.4Å; L289-R293 PolarHBondContact O-N 2.89Å; S290-R293 WeakPolarHBondContact O-CB 3.22Å; S290-R293 PolarHBondContact O-N 2.69Å; S290-R293 VanDerWaalsContact O-N 3.16Å; L291-R293 VanDerWaalsContact C-N 3.34Å; R293-M295 VanDerWaalsContact C-N 3.32Å; R293-M295 PolarHBondContact O-N 3.31Å; R293-A296 WeakPolarHBondContact O-CB 3.33Å; R293-A296 PolarHBondContact O-N 3.1Å; R293-V297 PolarHBondContact O-N 3.41Å; R293-V297 VanDerWaalsContact O-N 3.16Å; R293-E323 IonicContact CZ-OE1 3.54Å; R293-E323 IonicContact CZ-OE2 2.95Å; R293-E323 IonicContact NE-OE1 3.48Å; R293-E323 PolarHBondContact NE-OE1 2.86Å; R293-E323 IonicContact NE-OE2 2.73Å; R293-E323 PolarHBondContact NE-OE2 2.77Å; R293-E323 IonicContact NH2-OE1 3.51Å; R293-E323 PolarHBondContact NH2-OE1 3.12Å; R293-E323 IonicContact NH2-OE2 3.44Å; R293-E323 PolarHBondContact NH2-OE2 2.99Å; R293-I327 HydrophobicContact CB-CD1 3.73Å; R293-I327 HydrophobicContact CG-CD1 3.55Å
294D97.2Very high96Very high90 Ų9070.8 Ų70.848%0.48135%0.354SS..Hα-helixtrans-62.1-42.4177.7-65.6-26000111.1S290 L291 A296 V297 L298S290-D294 PolarHBondContact O-N 3.33Å; L291-D294 PolarHBondContact O-N 3.4Å; D294-A296 PolarHBondContact O-N 2.73Å; D294-V297 PolarHBondContact O-N 2.73Å; D294-L298 WeakPolarHBondContact O-CG 3.44Å; D294-L298 PolarHBondContact O-N 2.88Å
295M97.4Very high95.7Very high58 Ų5871.9 Ų71.929%0.28636%0.36SS..Hα-helixtrans-62.9-40.7176.3-166.9-171.968.900111.8L291 L292 R293 V297 L298 I299 K317 F324L291-M295 VanDerWaalsContact O-CB 3.24Å; L291-M295 WeakPolarHBondContact O-CB 3.32Å; L291-M295 PolarHBondContact O-N 2.89Å; L292-M295 HydrophobicContact CD2-CE 4.06Å; L292-M295 PolarHBondContact O-N 2.94Å; R293-M295 VanDerWaalsContact C-N 3.32Å; R293-M295 PolarHBondContact O-N 3.31Å; M295-V297 VanDerWaalsContact C-N 3.33Å; M295-V297 PolarHBondContact O-N 2.86Å; M295-L298 PolarHBondContact O-N 3.28Å; M295-I299 HydrophobicContact CE-CD1 3.9Å; M295-I299 HydrophobicContact CG-CD1 3.85Å; M295-I299 HydrophobicContact CG-CG1 4.39Å; M295-I299 WeakPolarHBondContact O-CB 3.47Å; M295-I299 WeakPolarHBondContact O-CD1 3.49Å; M295-I299 VanDerWaalsContact O-CG1 3.23Å; M295-I299 WeakPolarHBondContact O-CG1 3.29Å; M295-I299 PolarHBondContact O-N 3.29Å; M295-I299 HydrophobicContact SD-CD1 4.39Å; M295-K317 HydrophobicContact CE-CD 3.9Å; M295-K317 HydrophobicContact CE-CG 4.02Å; M295-F324 HydrophobicContact CE-CD2 4.41Å; M295-F324 HydrophobicContact CE-CE2 3.3Å; M295-F324 HydrophobicContact CE-CZ 3.49Å; M295-F324 VanDerWaalsContact CE-CZ 3.49Å
296A97.6Very high95.6Very high0 Ų069.7 Ų69.70%035%0.353CS..Hα-helixtrans-57.7-44.9174.900000111.9L292 R293 D294 I299 A300 F324 I327 I328L292-A296 WeakPolarHBondContact O-CB 3.36Å; L292-A296 PolarHBondContact O-N 2.9Å; R293-A296 WeakPolarHBondContact O-CB 3.33Å; R293-A296 PolarHBondContact O-N 3.1Å; D294-A296 PolarHBondContact O-N 2.73Å; A296-I299 PolarHBondContact O-N 3.1Å; A296-A300 PolarHBondContact O-N 3.41Å; A296-A300 VanDerWaalsContact O-N 3.08Å; A296-F324 HydrophobicContact CB-CD2 3.63Å; A296-F324 HydrophobicContact CB-CE2 3.63Å; A296-F324 HydrophobicContact CB-CG 4.35Å; A296-F324 HydrophobicContact CB-CZ 4.39Å; A296-I327 HydrophobicContact CB-CB 3.88Å; A296-I327 HydrophobicContact CB-CG2 3.59Å; A296-I328 HydrophobicContact CB-CD1 4.32Å; A296-I328 HydrophobicContact CB-CG1 3.64Å
297V97.2Very high95.1Very high31 Ų3167.9 Ų67.919%0.18836%0.357CS..Hα-helixtrans-62.4-44.6176.9175.40000111R293 D294 M295 A300 R301 I327 E331R293-V297 PolarHBondContact O-N 3.41Å; R293-V297 VanDerWaalsContact O-N 3.16Å; D294-V297 PolarHBondContact O-N 2.73Å; M295-V297 VanDerWaalsContact C-N 3.33Å; M295-V297 PolarHBondContact O-N 2.86Å; V297-A300 PolarHBondContact O-N 2.91Å; V297-R301 HydrophobicContact CG1-CG 4.46Å; V297-R301 WeakPolarHBondContact O-CB 3.49Å; V297-R301 VanDerWaalsContact O-CG 3.32Å; V297-R301 WeakPolarHBondContact O-CG 3.28Å; V297-R301 PolarHBondContact O-N 2.82Å; V297-I327 HydrophobicContact CG2-CG2 3.62Å; V297-E331 HydrophobicContact CG2-CG 4.46Å
298L97.3Very high94.6Very high109 Ų10973.6 Ų73.657%0.57138%0.377SS*.Hα-helixtrans-64.9-43.2179.3-68.6175.7000112.3D294 M295 A300 R301 D302D294-L298 WeakPolarHBondContact O-CG 3.44Å; D294-L298 PolarHBondContact O-N 2.88Å; M295-L298 PolarHBondContact O-N 3.28Å; L298-A300 VanDerWaalsContact C-N 3.33Å; L298-A300 PolarHBondContact O-N 3.13Å; L298-R301 PolarHBondContact O-N 3.43Å; L298-D302 WeakPolarHBondContact O-CB 3.28Å; L298-D302 PolarHBondContact O-N 3.3Å
299I96.6Very high94Very high30 Ų3075.8 Ų75.815%0.15438%0.379CS..Hα-helixtrans-57.7-46.7176-72.3161.7000110.7M295 A296 D302 F303 F313 F315 F324 I328M295-I299 HydrophobicContact CE-CD1 3.9Å; M295-I299 HydrophobicContact CG-CD1 3.85Å; M295-I299 HydrophobicContact CG-CG1 4.39Å; M295-I299 WeakPolarHBondContact O-CB 3.47Å; M295-I299 WeakPolarHBondContact O-CD1 3.49Å; M295-I299 VanDerWaalsContact O-CG1 3.23Å; M295-I299 WeakPolarHBondContact O-CG1 3.29Å; M295-I299 PolarHBondContact O-N 3.29Å; M295-I299 HydrophobicContact SD-CD1 4.39Å; A296-I299 PolarHBondContact O-N 3.1Å; I299-D302 PolarHBondContact O-N 3.43Å; I299-F303 PolarHBondContact O-N 3.18Å; I299-F313 HydrophobicContact CG2-CE1 4.26Å; I299-F313 HydrophobicContact CG2-CE2 4.48Å; I299-F313 HydrophobicContact CG2-CZ 3.55Å; I299-F315 HydrophobicContact CD1-CD1 4.24Å; I299-F315 HydrophobicContact CD1-CE1 3.52Å; I299-F315 HydrophobicContact CD1-CE2 4.22Å; I299-F315 HydrophobicContact CD1-CZ 3.52Å; I299-F315 HydrophobicContact CG1-CZ 4.36Å; I299-F315 HydrophobicContact CG2-CD2 4.4Å; I299-F315 HydrophobicContact CG2-CG 4.44Å; I299-F324 HydrophobicContact CD1-CE2 4.39Å; I299-F324 HydrophobicContact CD1-CZ 3.85Å; I299-I328 HydrophobicContact CD1-CD1 4.48Å; I299-I328 HydrophobicContact CG2-CD1 4.17Å
300A95.6Very high93.7Very high0 Ų074.8 Ų74.80%039%0.385CS..Hα-helixtrans-66-38.4178.500000112.6A296 V297 L298 K304 I328 E331 I332A296-A300 PolarHBondContact O-N 3.41Å; A296-A300 VanDerWaalsContact O-N 3.08Å; V297-A300 PolarHBondContact O-N 2.91Å; L298-A300 VanDerWaalsContact C-N 3.33Å; L298-A300 PolarHBondContact O-N 3.13Å; A300-K304 WeakPolarHBondContact O-CG 3.36Å; A300-K304 PolarHBondContact O-N 2.95Å; A300-I328 HydrophobicContact CB-CG2 4.47Å; A300-E331 HydrophobicContact CB-CB 3.32Å; A300-E331 HydrophobicContact CB-CG 4.33Å; A300-I332 HydrophobicContact CB-CD1 4.42Å; A300-I332 HydrophobicContact CB-CG1 3.68Å
301R95Very high93.3Very high126 Ų12675 Ų7548%0.47538%0.382SS..Hα-helixtrans-66.9-40.7176.5-75.5176.6-177.1175.32.9112.6V297 L298 K304 N305V297-R301 HydrophobicContact CG1-CG 4.46Å; V297-R301 WeakPolarHBondContact O-CB 3.49Å; V297-R301 VanDerWaalsContact O-CG 3.32Å; V297-R301 WeakPolarHBondContact O-CG 3.28Å; V297-R301 PolarHBondContact O-N 2.82Å; L298-R301 PolarHBondContact O-N 3.43Å; R301-K304 PolarHBondContact O-N 2.68Å; R301-N305 WeakPolarHBondContact O-CB 3.08Å; R301-N305 VanDerWaalsContact O-CG 3.27Å; R301-N305 PolarHBondContact O-N 2.91Å; R301-N305 PolarHBondContact O-ND2 2.78Å
302D95.1Very high93.2Very high121 Ų12170.3 Ų70.365%0.64736%0.357SS*.Hα-helixtrans-58.9-47.8176.2-176.768.8000111L298 I299 K304 N305 N306L298-D302 WeakPolarHBondContact O-CB 3.28Å; L298-D302 PolarHBondContact O-N 3.3Å; I299-D302 PolarHBondContact O-N 3.43Å; D302-K304 PolarHBondContact O-N 2.86Å; D302-N305 PolarHBondContact O-N 2.84Å; D302-N306 PolarHBondContact O-N 3.29Å; D302-N306 VanDerWaalsContact O-N 3.17Å
303F94.2Very high93.1Very high23 Ų2371.1 Ų71.110%0.10136%0.36CS..Hα-helixtrans-59.5-45.6174178.1-104.4000112.5I299 N305 N306 R309 G310 F313 I332 T337I299-F303 PolarHBondContact O-N 3.18Å; F303-N305 VanDerWaalsContact C-N 3.35Å; F303-N305 PolarHBondContact O-N 2.82Å; F303-N306 PolarHBondContact O-N 2.82Å; F303-R309 HydrophobicContact CD2-CB 4.39Å; F303-R309 HydrophobicContact CE2-CB 3.98Å; F303-R309 HydrophobicContact CZ-CB 4.12Å; F303-R309 WeakPolarHBondContact O-CD 3.27Å; F303-G310 WeakPolarHBondContact CZ-O 3.32Å; F303-F313 HydrophobicContact CB-CD2 3.94Å; F303-F313 HydrophobicContact CB-CE2 3.92Å; F303-F313 HydrophobicContact CD1-CB 4.42Å; F303-F313 HydrophobicContact CD1-CD2 4.23Å; F303-F313 HydrophobicContact CD1-CG 4.48Å; F303-F313 HydrophobicContact CD2-CB 4.33Å; F303-F313 AromaticContact CD2-CD2 3.36Å; F303-F313 HydrophobicContact CD2-CD2 3.36Å; F303-F313 HydrophobicContact CD2-CE2 4.05Å; F303-F313 HydrophobicContact CD2-CG 4.21Å; F303-F313 HydrophobicContact CE1-CB 4.15Å; F303-F313 HydrophobicContact CE2-CB 4.02Å; F303-F313 AromaticContact CE2-CD2 3.84Å; F303-F313 HydrophobicContact CE2-CD2 3.84Å; F303-F313 HydrophobicContact CE2-CG 4.39Å; F303-F313 HydrophobicContact CG-CB 4.49Å; F303-F313 AromaticContact CG-CD2 3.56Å; F303-F313 HydrophobicContact CG-CD2 3.56Å; F303-F313 HydrophobicContact CG-CE2 4.07Å; F303-F313 HydrophobicContact CG-CG 4.23Å; F303-F313 HydrophobicContact CZ-CB 3.93Å; F303-F313 HydrophobicContact CZ-CD2 4.46Å; F303-I332 HydrophobicContact CD1-CD1 3.93Å; F303-I332 HydrophobicContact CD1-CG1 4.04Å; F303-I332 HydrophobicContact CD1-CG2 3.79Å; F303-I332 HydrophobicContact CE1-CG2 3.73Å; F303-I332 HydrophobicContact CG-CD1 4.41Å; F303-T337 HydrophobicContact CE1-CG2 3.72Å; F303-T337 HydrophobicContact CZ-CG2 3.85Å
304K91.5Very high93.1Very high54 Ų5468.6 Ų68.624%0.23536%0.355CS..Hα-helixtrans-62.2-40.1177.7-77.3-174.9-69.7-170.10112.2A300 R301 D302 N306 R309 E331A300-K304 WeakPolarHBondContact O-CG 3.36Å; A300-K304 PolarHBondContact O-N 2.95Å; R301-K304 PolarHBondContact O-N 2.68Å; D302-K304 PolarHBondContact O-N 2.86Å; K304-N306 VanDerWaalsContact C-N 3.27Å; K304-N306 PolarHBondContact O-N 2.74Å; K304-R309 PolarHBondContact O-NH1 2.92Å; K304-E331 VanDerWaalsContact CD-O 3.24Å; K304-E331 WeakPolarHBondContact CD-O 3.19Å; K304-E331 WeakPolarHBondContact CE-O 3.35Å; K304-E331 PolarHBondContact NZ-O 2.73Å; K304-E331 IonicContact NZ-OE2 2.95Å; K304-E331 PolarHBondContact NZ-OE2 3.22Å
305N91.4Very high93.1Very high130 Ų13067.3 Ų67.370%0.69535%0.345SS*.Hα-helixtrans-82.3-6.7-175.1-67.9-18.6000113.3R301 D302 F303 P307R301-N305 WeakPolarHBondContact O-CB 3.08Å; R301-N305 VanDerWaalsContact O-CG 3.27Å; R301-N305 PolarHBondContact O-N 2.91Å; R301-N305 PolarHBondContact O-ND2 2.78Å; D302-N305 PolarHBondContact O-N 2.84Å; F303-N305 VanDerWaalsContact C-N 3.35Å; F303-N305 PolarHBondContact O-N 2.82Å; N305-P307 VanDerWaalsContact O-CD 3.27Å; N305-P307 WeakPolarHBondContact O-CD 3.35Å
306N92.1Very high93Very high74 Ų7466 Ų6640%0.39634%0.338SS..  trans-72.2116.1176.3-173.3-20.9000110.9D302 F303 K304 H308 R309D302-N306 PolarHBondContact O-N 3.29Å; D302-N306 VanDerWaalsContact O-N 3.17Å; F303-N306 PolarHBondContact O-N 2.82Å; K304-N306 VanDerWaalsContact C-N 3.27Å; K304-N306 PolarHBondContact O-N 2.74Å; N306-H308 PolarHBondContact O-N 2.98Å; N306-H308 PolarHBondContact OD1-N 3.03Å; N306-R309 HydrophobicContact CB-CB 4.3Å; N306-R309 WeakPolarHBondContact O-CB 3.29Å; N306-R309 WeakPolarHBondContact O-CG 3.32Å; N306-R309 PolarHBondContact O-N 3.42Å; N306-R309 VanDerWaalsContact O-N 3.14Å
307P85.4Confident92.9Very high118 Ų11868.6 Ų68.677%0.76635%0.349SS*.THydrogen-bonded Turntrans-64.3-20.4-179.1-20.233000114.1N305N305-P307 VanDerWaalsContact O-CD 3.27Å; N305-P307 WeakPolarHBondContact O-CD 3.35Å
308H85.6Confident92.8Very high174 Ų17471.5 Ų71.581%0.80636%0.36SS*.THydrogen-bonded Turntrans-105.522.3179.6-57.3-60.9000112.2N306 G310N306-H308 PolarHBondContact O-N 2.98Å; N306-H308 PolarHBondContact OD1-N 3.03Å; H308-G310 PolarHBondContact O-N 2.9Å
309R84.8Confident92.7Very high128 Ų12870.8 Ų70.848%0.48335%0.353SS..  trans-63.4132.3177.372.5-174.7-163.8-154.53.1110.4F303 K304 N306F303-R309 HydrophobicContact CD2-CB 4.39Å; F303-R309 HydrophobicContact CE2-CB 3.98Å; F303-R309 HydrophobicContact CZ-CB 4.12Å; F303-R309 WeakPolarHBondContact O-CD 3.27Å; K304-R309 PolarHBondContact O-NH1 2.92Å; N306-R309 HydrophobicContact CB-CB 4.3Å; N306-R309 WeakPolarHBondContact O-CB 3.29Å; N306-R309 WeakPolarHBondContact O-CG 3.32Å; N306-R309 PolarHBondContact O-N 3.42Å; N306-R309 VanDerWaalsContact O-N 3.14Å
310G86.1Confident92.6Very high46 Ų4670 Ų7047%0.47435%0.352SS..  trans-85-172.7169.500000112F303 H308 F312F303-G310 WeakPolarHBondContact CZ-O 3.32Å; H308-G310 PolarHBondContact O-N 2.9Å; G310-F312 VanDerWaalsContact C-N 3.3Å; G310-F312 PolarHBondContact O-N 2.94Å
311N89.6Confident92.5Very high59 Ų5972.3 Ų72.332%0.31636%0.364SS..SBendtrans-86.911.3176.162.4-10.5000114T337 L338 C404N311-T337 WeakPolarHBondContact O-CA 3.44Å; N311-L338 PolarHBondContact O-N 3.38Å; N311-C404 PolarHBondContact ND2-O 3.03Å; N311-C404 WeakPolarHBondContact OD1-CB 3.45Å
312F93.6Very high92.5Very high17 Ų1769.4 Ų69.48%0.07536%0.359CS..EExtended strand (participates in β ladder)trans-132.4128.1179.2-179.8-116.2000111.8G310 L338 F340 L400 R401 C404G310-F312 VanDerWaalsContact C-N 3.3Å; G310-F312 PolarHBondContact O-N 2.94Å; F312-L338 CarbonylContact C-O 3.6Å; F312-L338 WeakPolarHBondContact CA-O 3.22Å; F312-L338 HydrophobicContact CD2-CB 4.2Å; F312-L338 HydrophobicContact CD2-CD2 4.29Å; F312-L338 HydrophobicContact CD2-CG 4.35Å; F312-L338 WeakPolarHBondContact CD2-O 3.28Å; F312-F340 HydrophobicContact CE2-CB 4.11Å; F312-F340 HydrophobicContact CZ-CB 4.32Å; F312-L400 HydrophobicContact CD2-CB 4.3Å; F312-L400 HydrophobicContact CE2-CB 3.53Å; F312-L400 HydrophobicContact CE2-CD1 3.95Å; F312-L400 HydrophobicContact CE2-CG 4.38Å; F312-L400 HydrophobicContact CZ-CB 3.65Å; F312-L400 HydrophobicContact CZ-CD1 4.16Å; F312-R401 HydrophobicContact CD1-CB 3.94Å; F312-R401 HydrophobicContact CD1-CG 4.29Å; F312-R401 HydrophobicContact CE1-CB 4.01Å; F312-C404 HydrophobicContact CB-CB 4.09Å
313F95.5Very high92.5Very high25 Ų2567.6 Ų67.611%0.1135%0.346CS..EExtended strand (participates in β ladder)trans-123.2135.2172.5-177.1-100.9000110.6I299 F303 F315 I328 I332 T337 L338 V339 F340 L341I299-F313 HydrophobicContact CG2-CE1 4.26Å; I299-F313 HydrophobicContact CG2-CE2 4.48Å; I299-F313 HydrophobicContact CG2-CZ 3.55Å; F303-F313 HydrophobicContact CB-CD2 3.94Å; F303-F313 HydrophobicContact CB-CE2 3.92Å; F303-F313 HydrophobicContact CD1-CB 4.42Å; F303-F313 HydrophobicContact CD1-CD2 4.23Å; F303-F313 HydrophobicContact CD1-CG 4.48Å; F303-F313 HydrophobicContact CD2-CB 4.33Å; F303-F313 AromaticContact CD2-CD2 3.36Å; F303-F313 HydrophobicContact CD2-CD2 3.36Å; F303-F313 HydrophobicContact CD2-CE2 4.05Å; F303-F313 HydrophobicContact CD2-CG 4.21Å; F303-F313 HydrophobicContact CE1-CB 4.15Å; F303-F313 HydrophobicContact CE2-CB 4.02Å; F303-F313 AromaticContact CE2-CD2 3.84Å; F303-F313 HydrophobicContact CE2-CD2 3.84Å; F303-F313 HydrophobicContact CE2-CG 4.39Å; F303-F313 HydrophobicContact CG-CB 4.49Å; F303-F313 AromaticContact CG-CD2 3.56Å; F303-F313 HydrophobicContact CG-CD2 3.56Å; F303-F313 HydrophobicContact CG-CE2 4.07Å; F303-F313 HydrophobicContact CG-CG 4.23Å; F303-F313 HydrophobicContact CZ-CB 3.93Å; F303-F313 HydrophobicContact CZ-CD2 4.46Å; F313-F315 HydrophobicContact CE1-CB 3.61Å; F313-F315 HydrophobicContact CZ-CB 3.78Å; F313-F315 HydrophobicContact CZ-CD2 4.44Å; F313-F315 HydrophobicContact CZ-CG 4.36Å; F313-I328 HydrophobicContact CD1-CG2 4.28Å; F313-I328 HydrophobicContact CE1-CG2 3.75Å; F313-I332 HydrophobicContact CB-CD1 4.09Å; F313-I332 HydrophobicContact CD1-CD1 3.34Å; F313-I332 HydrophobicContact CD2-CD1 4.22Å; F313-I332 HydrophobicContact CE1-CD1 3.73Å; F313-I332 HydrophobicContact CG-CD1 3.6Å; F313-I332 HydrophobicContact CZ-CD1 4.31Å; F313-T337 HydrophobicContact CB-CG2 4.37Å; F313-L338 PolarHBondContact N-O 3.01Å; F313-V339 HydrophobicContact CB-CG2 4.43Å; F313-V339 HydrophobicContact CD1-CG1 4.2Å; F313-V339 CarbonylContact O-C 3.58Å; F313-V339 WeakPolarHBondContact O-CA 3.47Å; F313-F340 PolarHBondContact O-N 3.47Å; F313-L341 HydrophobicContact CD1-CD2 4Å; F313-L341 HydrophobicContact CE1-CD2 3.77Å
314S95.8Very high92.7Very high28 Ų2866.7 Ų66.720%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-139.2143169.8-171.60000112F340 E397S314-F340 WeakPolarHBondContact CA-O 3.45Å; S314-F340 WeakPolarHBondContact CB-O 3.25Å; S314-F340 WeakPolarHBondContact OG-CD1 3.27Å; S314-F340 PolarHBondContact OG-O 2.58Å; S314-E397 VanDerWaalsContact OG-CD 3.28Å; S314-E397 WeakPolarHBondContact OG-CG 3.39Å; S314-E397 PolarHBondContact OG-OE1 2.82Å; S314-E397 VanDerWaalsContact OG-OE1 3.06Å
315F96.7Very high93Very high62 Ų6264.1 Ų64.127%0.27233%0.331SS..EExtended strand (participates in β ladder)trans-151.6141.6-179.1-168.3-101.7000111.4I299 F313 K317 F324 I328 F340 L341 T342I299-F315 HydrophobicContact CD1-CD1 4.24Å; I299-F315 HydrophobicContact CD1-CE1 3.52Å; I299-F315 HydrophobicContact CD1-CE2 4.22Å; I299-F315 HydrophobicContact CD1-CZ 3.52Å; I299-F315 HydrophobicContact CG1-CZ 4.36Å; I299-F315 HydrophobicContact CG2-CD2 4.4Å; I299-F315 HydrophobicContact CG2-CG 4.44Å; F313-F315 HydrophobicContact CE1-CB 3.61Å; F313-F315 HydrophobicContact CZ-CB 3.78Å; F313-F315 HydrophobicContact CZ-CD2 4.44Å; F313-F315 HydrophobicContact CZ-CG 4.36Å; F315-K317 HydrophobicContact CD1-CB 4.38Å; F315-K317 HydrophobicContact CE1-CB 3.87Å; F315-F324 HydrophobicContact CD1-CE1 4.12Å; F315-F324 HydrophobicContact CD1-CZ 4.28Å; F315-F324 HydrophobicContact CE1-CE1 4.09Å; F315-F324 AromaticContact CE1-CZ 3.89Å; F315-F324 HydrophobicContact CE1-CZ 3.89Å; F315-I328 HydrophobicContact CD1-CD1 4.22Å; F315-F340 PolarHBondContact N-O 2.64Å; F315-L341 HydrophobicContact CB-CD2 3.76Å; F315-L341 WeakPolarHBondContact O-CA 3.43Å; F315-T342 PolarHBondContact O-N 3.37Å
316H96.2Very high93.1Very high31 Ų3159.1 Ų59.114%0.14430%0.304CS..EExtended strand (participates in β ladder)trans-120.5133.3174.4175.475000110.4T342 G344H316-T342 CarbonylContact C-O 3.59Å; H316-T342 WeakPolarHBondContact CA-O 3.47Å; H316-T342 PolarHBondContact ND1-OG1 2.95Å; H316-G344 PolarHBondContact CE1-O 3.43Å; H316-G344 PolarHBondContact NE2-O 3.37Å
317K95.9Very high93.4Very high54 Ų5457.1 Ų57.124%0.23529%0.293CS..EExtended strand (participates in β ladder)trans-136.4111.1173-173.157.2174.1160.80110.9L292 M295 F315 E319 G320 F324 T342 V343L292-K317 HydrophobicContact CD2-CG 4.37Å; M295-K317 HydrophobicContact CE-CD 3.9Å; M295-K317 HydrophobicContact CE-CG 4.02Å; F315-K317 HydrophobicContact CD1-CB 4.38Å; F315-K317 HydrophobicContact CE1-CB 3.87Å; K317-E319 VanDerWaalsContact C-N 3.3Å; K317-E319 WeakPolarHBondContact CD-OE2 3.25Å; K317-E319 WeakPolarHBondContact CE-OE2 2.82Å; K317-E319 IonicContact NZ-OE2 3.69Å; K317-E319 PolarHBondContact NZ-OE2 3.39Å; K317-E319 PolarHBondContact O-N 3.22Å; K317-G320 PolarHBondContact O-N 2.96Å; K317-G320 VanDerWaalsContact O-N 3.12Å; K317-F324 HydrophobicContact CB-CD1 4.27Å; K317-F324 HydrophobicContact CB-CE1 3.58Å; K317-F324 HydrophobicContact CB-CZ 3.99Å; K317-F324 HydrophobicContact CG-CE1 4.08Å; K317-F324 HydrophobicContact CG-CZ 4.07Å; K317-T342 PolarHBondContact N-O 2.93Å; K317-V343 VanDerWaalsContact O-CA 3.24Å; K317-V343 WeakPolarHBondContact O-CA 3.48Å; K317-V343 VanDerWaalsContact O-CB 3.29Å; K317-V343 WeakPolarHBondContact O-CB 2.85Å; K317-V343 WeakPolarHBondContact O-CG1 3.35Å
318K95.4Very high93.9Very high93 Ų9351.5 Ų51.540%0.40426%0.257SS..THydrogen-bonded Turntrans-53.1-46.2178.3172.8174.1165.7154.70113.3G320 G344 E345K318-G320 VanDerWaalsContact C-N 3.3Å; K318-G320 PolarHBondContact O-N 2.87Å; K318-G344 WeakPolarHBondContact CA-O 3.49Å; K318-G344 PolarHBondContact O-N 3.25Å; K318-E345 VanDerWaalsContact CE-CD 3.4Å; K318-E345 WeakPolarHBondContact CE-OE1 3.31Å; K318-E345 VanDerWaalsContact CE-OE2 3.29Å; K318-E345 WeakPolarHBondContact CE-OE2 3.49Å; K318-E345 IonicContact NZ-OE1 2.78Å; K318-E345 PolarHBondContact NZ-OE1 2.98Å; K318-E345 IonicContact NZ-OE2 3.3Å; K318-E345 PolarHBondContact NZ-OE2 3.33Å
319E94.3Very high94.3Very high94 Ų9443.2 Ų43.244%0.43922%0.218SC..THydrogen-bonded Turntrans-83.8-2.4-176.2-55.575.8-157.500114L292 K317L292-E319 WeakPolarHBondContact CD1-O 3.33Å; L292-E319 HydrophobicContact CD2-CB 4.39Å; K317-E319 VanDerWaalsContact C-N 3.3Å; K317-E319 WeakPolarHBondContact CD-OE2 3.25Å; K317-E319 WeakPolarHBondContact CE-OE2 2.82Å; K317-E319 IonicContact NZ-OE2 3.69Å; K317-E319 PolarHBondContact NZ-OE2 3.39Å; K317-E319 PolarHBondContact O-N 3.22Å
320G94.4Very high94.8Very high12 Ų1241.4 Ų41.412%0.12422%0.218CC..  trans-72.5163.2-177.900000112.5K317 K318 V343K317-G320 PolarHBondContact O-N 2.96Å; K317-G320 VanDerWaalsContact O-N 3.12Å; K318-G320 VanDerWaalsContact C-N 3.3Å; K318-G320 PolarHBondContact O-N 2.87Å; G320-V343 WeakPolarHBondContact O-CB 3.31Å
321D94.7Very high95.1Very high49 Ų4942.2 Ų42.226%0.26221%0.21SC..  trans-123-172.2172.7692.8000111.1L289 E323 F324 M325L289-D321 WeakPolarHBondContact CD2-OD2 3.37Å; D321-E323 PolarHBondContact O-N 3.31Å; D321-E323 WeakPolarHBondContact OD1-CA 3.41Å; D321-E323 WeakPolarHBondContact OD1-CB 3.38Å; D321-E323 PolarHBondContact OD1-N 2.82Å; D321-F324 WeakPolarHBondContact O-CB 3.34Å; D321-F324 PolarHBondContact O-N 3.46Å; D321-F324 WeakPolarHBondContact OD1-CB 3.47Å; D321-F324 PolarHBondContact OD1-N 3.21Å; D321-M325 PolarHBondContact O-N 3.2Å
322N94.9Very high95.2Very high66 Ų6639.8 Ų39.835%0.35320%0.197SC..Hα-helixtrans-63.4-33.9178.1-171.261.8000112.4N326 L351N322-N326 PolarHBondContact ND2-ND2 3.36Å; N322-N326 PolarHBondContact O-N 2.86Å; N322-N326 VanDerWaalsContact O-N 3.11Å; N322-N326 PolarHBondContact O-ND2 3.44Å; N322-N326 PolarHBondContact OD1-ND2 3.25Å; N322-L351 HydrophobicContact CB-CD1 4.07Å
323E95.6Very high94.5Very high83 Ų8343.3 Ų43.339%0.38822%0.216SC..Hα-helixtrans-69.5-43.2-179.7-164.1-179.5160.400110.6R293 D321 M325 N326 I327R293-E323 IonicContact CZ-OE1 3.54Å; R293-E323 IonicContact CZ-OE2 2.95Å; R293-E323 IonicContact NE-OE1 3.48Å; R293-E323 PolarHBondContact NE-OE1 2.86Å; R293-E323 IonicContact NE-OE2 2.73Å; R293-E323 PolarHBondContact NE-OE2 2.77Å; R293-E323 IonicContact NH2-OE1 3.51Å; R293-E323 PolarHBondContact NH2-OE1 3.12Å; R293-E323 IonicContact NH2-OE2 3.44Å; R293-E323 PolarHBondContact NH2-OE2 2.99Å; D321-E323 PolarHBondContact O-N 3.31Å; D321-E323 WeakPolarHBondContact OD1-CA 3.41Å; D321-E323 WeakPolarHBondContact OD1-CB 3.38Å; D321-E323 PolarHBondContact OD1-N 2.82Å; E323-M325 VanDerWaalsContact C-N 3.35Å; E323-M325 PolarHBondContact O-N 3.35Å; E323-N326 PolarHBondContact O-N 3.23Å; E323-N326 VanDerWaalsContact O-N 3.13Å; E323-I327 HydrophobicContact CG-CD1 4.14Å; E323-I327 WeakPolarHBondContact O-CG1 3.43Å; E323-I327 PolarHBondContact O-N 3.41Å
324F97.4Very high93.9Very high3 Ų343.3 Ų43.31%0.01322%0.219CC..Hα-helixtrans-49.8-52.5172.4177.8-96000112L292 M295 A296 I299 F315 K317 D321 N326 I327 I328 V343L292-F324 HydrophobicContact CB-CD2 4.03Å; L292-F324 HydrophobicContact CD2-CD2 4.39Å; L292-F324 WeakPolarHBondContact O-CD2 3.36Å; L292-F324 VanDerWaalsContact O-CE2 3.28Å; L292-F324 WeakPolarHBondContact O-CE2 3.1Å; M295-F324 HydrophobicContact CE-CD2 4.41Å; M295-F324 HydrophobicContact CE-CE2 3.3Å; M295-F324 HydrophobicContact CE-CZ 3.49Å; M295-F324 VanDerWaalsContact CE-CZ 3.49Å; A296-F324 HydrophobicContact CB-CD2 3.63Å; A296-F324 HydrophobicContact CB-CE2 3.63Å; A296-F324 HydrophobicContact CB-CG 4.35Å; A296-F324 HydrophobicContact CB-CZ 4.39Å; I299-F324 HydrophobicContact CD1-CE2 4.39Å; I299-F324 HydrophobicContact CD1-CZ 3.85Å; F315-F324 HydrophobicContact CD1-CE1 4.12Å; F315-F324 HydrophobicContact CD1-CZ 4.28Å; F315-F324 HydrophobicContact CE1-CE1 4.09Å; F315-F324 AromaticContact CE1-CZ 3.89Å; F315-F324 HydrophobicContact CE1-CZ 3.89Å; K317-F324 HydrophobicContact CB-CD1 4.27Å; K317-F324 HydrophobicContact CB-CE1 3.58Å; K317-F324 HydrophobicContact CB-CZ 3.99Å; K317-F324 HydrophobicContact CG-CE1 4.08Å; K317-F324 HydrophobicContact CG-CZ 4.07Å; D321-F324 WeakPolarHBondContact O-CB 3.34Å; D321-F324 PolarHBondContact O-N 3.46Å; D321-F324 WeakPolarHBondContact OD1-CB 3.47Å; D321-F324 PolarHBondContact OD1-N 3.21Å; F324-N326 PolarHBondContact O-N 3.07Å; F324-I327 PolarHBondContact O-N 3.34Å; F324-I328 HydrophobicContact CD1-CD1 4.15Å; F324-I328 HydrophobicContact CE1-CD1 3.49Å; F324-I328 VanDerWaalsContact CE1-CD1 3.49Å; F324-I328 HydrophobicContact CE2-CD1 4.37Å; F324-I328 HydrophobicContact CZ-CD1 3.61Å; F324-I328 PolarHBondContact O-N 2.86Å; F324-V343 HydrophobicContact CD1-CG1 4.04Å
325M96.9Very high93.3Very high0 Ų049 Ų490%024%0.242CC..Hα-helixtrans-63.3-42.4178.9-64.5-171-66.800112.1D321 E323 I327 I328 A329 L341 V343 L351 L353D321-M325 PolarHBondContact O-N 3.2Å; E323-M325 VanDerWaalsContact C-N 3.35Å; E323-M325 PolarHBondContact O-N 3.35Å; M325-I327 PolarHBondContact O-N 3.14Å; M325-I328 PolarHBondContact O-N 3.4Å; M325-A329 PolarHBondContact O-N 2.87Å; M325-L341 HydrophobicContact CB-CB 4.07Å; M325-L341 HydrophobicContact CB-CD1 3.92Å; M325-L341 HydrophobicContact CG-CB 3.83Å; M325-L341 HydrophobicContact CG-CD1 4.46Å; M325-L341 WeakPolarHBondContact O-CD1 3.4Å; M325-L341 HydrophobicContact SD-CB 3.94Å; M325-L341 VanDerWaalsContact SD-O 3.38Å; M325-V343 HydrophobicContact CE-CG2 3.85Å; M325-V343 HydrophobicContact CG-CG1 3.61Å; M325-V343 HydrophobicContact CG-CG2 4.45Å; M325-V343 HydrophobicContact SD-CB 4.46Å; M325-V343 HydrophobicContact SD-CG1 3.95Å; M325-V343 HydrophobicContact SD-CG2 3.97Å; M325-L351 HydrophobicContact CE-CB 3.57Å; M325-L351 HydrophobicContact CE-CD1 4.37Å; M325-L353 HydrophobicContact CB-CB 4.18Å; M325-L353 HydrophobicContact CB-CD2 3.9Å; M325-L353 HydrophobicContact CE-CB 4.31Å; M325-L353 HydrophobicContact SD-CB 4.02Å
326N95.2Very high92.7Very high26 Ų2653.9 Ų53.914%0.13927%0.265CS..Hα-helixtrans-66.9-35.9-179.4-84.1-78.3000112.4N322 E323 F324 A329 N330 R382N322-N326 PolarHBondContact ND2-ND2 3.36Å; N322-N326 PolarHBondContact O-N 2.86Å; N322-N326 VanDerWaalsContact O-N 3.11Å; N322-N326 PolarHBondContact O-ND2 3.44Å; N322-N326 PolarHBondContact OD1-ND2 3.25Å; E323-N326 PolarHBondContact O-N 3.23Å; E323-N326 VanDerWaalsContact O-N 3.13Å; F324-N326 PolarHBondContact O-N 3.07Å; N326-A329 PolarHBondContact O-N 2.98Å; N326-N330 WeakPolarHBondContact O-CB 3.46Å; N326-N330 PolarHBondContact O-N 3.34Å; N326-N330 PolarHBondContact O-ND2 3.2Å; N326-R382 PolarHBondContact OD1-NH1 3.36Å
327I96.6Very high92.4Very high31 Ų3153 Ų5316%0.15926%0.262CS..Hα-helixtrans-61.4-48.3174.5-70.5167.4000110.2R293 A296 V297 E323 F324 M325 A329 N330 E331R293-I327 HydrophobicContact CB-CD1 3.73Å; R293-I327 HydrophobicContact CG-CD1 3.55Å; A296-I327 HydrophobicContact CB-CB 3.88Å; A296-I327 HydrophobicContact CB-CG2 3.59Å; V297-I327 HydrophobicContact CG2-CG2 3.62Å; E323-I327 HydrophobicContact CG-CD1 4.14Å; E323-I327 WeakPolarHBondContact O-CG1 3.43Å; E323-I327 PolarHBondContact O-N 3.41Å; F324-I327 PolarHBondContact O-N 3.34Å; M325-I327 PolarHBondContact O-N 3.14Å; I327-A329 PolarHBondContact O-N 2.96Å; I327-N330 PolarHBondContact O-N 3.34Å; I327-E331 HydrophobicContact CG2-CG 4.41Å; I327-E331 WeakPolarHBondContact O-CB 2.98Å; I327-E331 WeakPolarHBondContact O-CG 3.46Å; I327-E331 PolarHBondContact O-N 2.65Å
328I96.8Very high92.4Very high0 Ų050.5 Ų50.50%025%0.252CS..Hα-helixtrans-58.1-50.5177.4-64.6177.3000110.7A296 I299 A300 F313 F315 F324 M325 N330 E331 I332 L341A296-I328 HydrophobicContact CB-CD1 4.32Å; A296-I328 HydrophobicContact CB-CG1 3.64Å; I299-I328 HydrophobicContact CD1-CD1 4.48Å; I299-I328 HydrophobicContact CG2-CD1 4.17Å; A300-I328 HydrophobicContact CB-CG2 4.47Å; F313-I328 HydrophobicContact CD1-CG2 4.28Å; F313-I328 HydrophobicContact CE1-CG2 3.75Å; F315-I328 HydrophobicContact CD1-CD1 4.22Å; F324-I328 HydrophobicContact CD1-CD1 4.15Å; F324-I328 HydrophobicContact CE1-CD1 3.49Å; F324-I328 VanDerWaalsContact CE1-CD1 3.49Å; F324-I328 HydrophobicContact CE2-CD1 4.37Å; F324-I328 HydrophobicContact CZ-CD1 3.61Å; F324-I328 PolarHBondContact O-N 2.86Å; M325-I328 PolarHBondContact O-N 3.4Å; I328-N330 VanDerWaalsContact C-N 3.35Å; I328-N330 PolarHBondContact O-N 2.97Å; I328-E331 PolarHBondContact O-N 3.22Å; I328-I332 HydrophobicContact CG2-CD1 3.63Å; I328-I332 HydrophobicContact CG2-CG1 4.3Å; I328-I332 WeakPolarHBondContact O-CG1 3.49Å; I328-I332 PolarHBondContact O-N 3.2Å; I328-L341 HydrophobicContact CB-CD1 3.68Å; I328-L341 HydrophobicContact CD1-CD1 4.42Å; I328-L341 HydrophobicContact CD1-CD2 4.39Å; I328-L341 HydrophobicContact CG2-CD1 3.76Å; I328-L341 HydrophobicContact CG2-CD2 3.95Å
329A94.7Very high92.5Very high0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-61.9-41.2-17800000112.4M325 N326 I327 T334 V339 L341 L353 A355M325-A329 PolarHBondContact O-N 2.87Å; N326-A329 PolarHBondContact O-N 2.98Å; I327-A329 PolarHBondContact O-N 2.96Å; A329-T334 HydrophobicContact CB-CG2 4.49Å; A329-T334 VanDerWaalsContact O-CG2 3.29Å; A329-T334 WeakPolarHBondContact O-CG2 3.47Å; A329-V339 HydrophobicContact CB-CG1 4.4Å; A329-L341 HydrophobicContact CB-CD1 4.43Å; A329-L353 HydrophobicContact CB-CD2 3.76Å; A329-A355 HydrophobicContact CB-CB 3.96Å
330N93.8Very high92.6Very high90 Ų9041.6 Ų41.648%0.48121%0.212SC..Hα-helixtrans-63.7-44.3175.5-70.4-21.7000111.6N326 I327 I328 R382N326-N330 WeakPolarHBondContact O-CB 3.46Å; N326-N330 PolarHBondContact O-N 3.34Å; N326-N330 PolarHBondContact O-ND2 3.2Å; I327-N330 PolarHBondContact O-N 3.34Å; I328-N330 VanDerWaalsContact C-N 3.35Å; I328-N330 PolarHBondContact O-N 2.97Å; N330-R382 VanDerWaalsContact OD1-CZ 3.22Å; N330-R382 PolarHBondContact OD1-NH1 2.92Å; N330-R382 VanDerWaalsContact OD1-NH1 3.09Å; N330-R382 PolarHBondContact OD1-NH2 3.09Å
331E93.9Very high92.7Very high64 Ų6441.1 Ų41.130%0.29921%0.206SC..Hα-helixtrans-70.4-37.2-175.1-80.9-68.1151.600113V297 A300 K304 I327 I328 N333V297-E331 HydrophobicContact CG2-CG 4.46Å; A300-E331 HydrophobicContact CB-CB 3.32Å; A300-E331 HydrophobicContact CB-CG 4.33Å; K304-E331 VanDerWaalsContact CD-O 3.24Å; K304-E331 WeakPolarHBondContact CD-O 3.19Å; K304-E331 WeakPolarHBondContact CE-O 3.35Å; K304-E331 PolarHBondContact NZ-O 2.73Å; K304-E331 IonicContact NZ-OE2 2.95Å; K304-E331 PolarHBondContact NZ-OE2 3.22Å; I327-E331 HydrophobicContact CG2-CG 4.41Å; I327-E331 WeakPolarHBondContact O-CB 2.98Å; I327-E331 WeakPolarHBondContact O-CG 3.46Å; I327-E331 PolarHBondContact O-N 2.65Å; I328-E331 PolarHBondContact O-N 3.22Å; E331-N333 PolarHBondContact O-N 2.9Å
332I91.6Very high92.9Very high8 Ų838.9 Ų38.94%0.04119%0.194CC..Hα-helixtrans-66.3-21.1-177.2-72.7178.9000113.1A300 F303 F313 I328 T337 V339A300-I332 HydrophobicContact CB-CD1 4.42Å; A300-I332 HydrophobicContact CB-CG1 3.68Å; F303-I332 HydrophobicContact CD1-CD1 3.93Å; F303-I332 HydrophobicContact CD1-CG1 4.04Å; F303-I332 HydrophobicContact CD1-CG2 3.79Å; F303-I332 HydrophobicContact CE1-CG2 3.73Å; F303-I332 HydrophobicContact CG-CD1 4.41Å; F313-I332 HydrophobicContact CB-CD1 4.09Å; F313-I332 HydrophobicContact CD1-CD1 3.34Å; F313-I332 HydrophobicContact CD2-CD1 4.22Å; F313-I332 HydrophobicContact CE1-CD1 3.73Å; F313-I332 HydrophobicContact CG-CD1 3.6Å; F313-I332 HydrophobicContact CZ-CD1 4.31Å; I328-I332 HydrophobicContact CG2-CD1 3.63Å; I328-I332 HydrophobicContact CG2-CG1 4.3Å; I328-I332 WeakPolarHBondContact O-CG1 3.49Å; I328-I332 PolarHBondContact O-N 3.2Å; I332-T337 HydrophobicContact CG2-CG2 3.92Å; I332-V339 HydrophobicContact CB-CG2 4.36Å; I332-V339 HydrophobicContact CD1-CG2 4.39Å; I332-V339 HydrophobicContact CG2-CG2 3.89Å
333N78.9Confident92.9Very high91 Ų9135.9 Ų35.949%0.48718%0.178SC..  trans61.6100.8-166.4-169.913.3000112.5E331 E335E331-N333 PolarHBondContact O-N 2.9Å; N333-E335 VanDerWaalsContact C-N 3.3Å; N333-E335 PolarHBondContact O-N 2.96Å
334T83.3Confident92.9Very high25 Ų2532.7 Ų32.715%0.15317%0.167CC..THydrogen-bonded Turntrans-85.99.4-169.552.20000114.6A329 V339 A355 G356 P357A329-T334 HydrophobicContact CB-CG2 4.49Å; A329-T334 VanDerWaalsContact O-CG2 3.29Å; A329-T334 WeakPolarHBondContact O-CG2 3.47Å; T334-V339 HydrophobicContact CG2-CB 4.37Å; T334-V339 HydrophobicContact CG2-CG2 3.86Å; T334-A355 HydrophobicContact CG2-CB 3.71Å; T334-G356 CarbonylContact O-C 3.14Å; T334-G356 WeakPolarHBondContact O-CA 3.46Å; T334-P357 WeakPolarHBondContact O-CD 3.34Å
335E81.9Confident92.6Very high148 Ų14837.3 Ų37.369%0.69219%0.189SC*.THydrogen-bonded Turntrans-69.4-34.1-179.5-70.2-178.7167.800112.8N333 P357N333-E335 VanDerWaalsContact C-N 3.3Å; N333-E335 PolarHBondContact O-N 2.96Å; E335-P357 WeakPolarHBondContact O-CG 3.23Å
336E84.1Confident92Very high163 Ų16343.4 Ų43.476%0.76222%0.218SC*.SBendtrans-121.2-4.5-179-62.8178.7173.200112.8
337T91.2Very high91.6Very high13 Ų1350.5 Ų50.58%0.0825%0.247CC..  trans-120.6127.6-177.4-52.90000110.9F303 N311 F313 I332 V339F303-T337 HydrophobicContact CE1-CG2 3.72Å; F303-T337 HydrophobicContact CZ-CG2 3.85Å; N311-T337 WeakPolarHBondContact O-CA 3.44Å; F313-T337 HydrophobicContact CB-CG2 4.37Å; I332-T337 HydrophobicContact CG2-CG2 3.92Å; T337-V339 HydrophobicContact CG2-CG2 4.1Å
338L94.8Very high91.3Very high2 Ų250.2 Ų50.21%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-83.7124.2168.6-169.569000110N311 F312 F313 L354 V361 L364 L400N311-L338 PolarHBondContact O-N 3.38Å; F312-L338 CarbonylContact C-O 3.6Å; F312-L338 WeakPolarHBondContact CA-O 3.22Å; F312-L338 HydrophobicContact CD2-CB 4.2Å; F312-L338 HydrophobicContact CD2-CD2 4.29Å; F312-L338 HydrophobicContact CD2-CG 4.35Å; F312-L338 WeakPolarHBondContact CD2-O 3.28Å; F313-L338 PolarHBondContact N-O 3.01Å; L338-L354 HydrophobicContact CD1-CD1 3.85Å; L338-L354 HydrophobicContact CD1-CG 4.24Å; L338-L354 HydrophobicContact CD2-CD1 4.48Å; L338-L354 HydrophobicContact CG-CD1 4.07Å; L338-V361 HydrophobicContact CD1-CG2 4.26Å; L338-L364 HydrophobicContact CD2-CD1 3.8Å; L338-L400 HydrophobicContact CD2-CD2 4.17Å
339V96.6Very high91.1Very high0 Ų053.5 Ų53.50%028%0.279CS..EExtended strand (participates in β ladder)trans-119.9120.1-171.8177.60000109.2F313 A329 I332 T334 T337 L341 L354 A355F313-V339 HydrophobicContact CB-CG2 4.43Å; F313-V339 HydrophobicContact CD1-CG1 4.2Å; F313-V339 CarbonylContact O-C 3.58Å; F313-V339 WeakPolarHBondContact O-CA 3.47Å; A329-V339 HydrophobicContact CB-CG1 4.4Å; I332-V339 HydrophobicContact CB-CG2 4.36Å; I332-V339 HydrophobicContact CD1-CG2 4.39Å; I332-V339 HydrophobicContact CG2-CG2 3.89Å; T334-V339 HydrophobicContact CG2-CB 4.37Å; T334-V339 HydrophobicContact CG2-CG2 3.86Å; T337-V339 HydrophobicContact CG2-CG2 4.1Å; V339-L341 HydrophobicContact CG1-CD1 3.88Å; V339-L341 HydrophobicContact CG1-CD2 4Å; V339-L341 HydrophobicContact CG1-CG 3.75Å; V339-L354 CarbonylContact O-C 3.55Å; V339-L354 VanDerWaalsContact O-CA 3.3Å; V339-L354 WeakPolarHBondContact O-CA 3.47Å; V339-A355 HydrophobicContact CB-CB 4.43Å; V339-A355 PolarHBondContact N-O 2.72Å; V339-A355 PolarHBondContact O-N 3.26Å
340F97.1Very high91.2Very high0 Ų054 Ų540%028%0.284CS..EExtended strand (participates in β ladder)trans-120.7113176.2177.4-116.6000111.8F312 F313 S314 F315 T342 F352 L353 L354 I368 L372 R393 V396 E397 L400F312-F340 HydrophobicContact CE2-CB 4.11Å; F312-F340 HydrophobicContact CZ-CB 4.32Å; F313-F340 PolarHBondContact O-N 3.47Å; S314-F340 WeakPolarHBondContact CA-O 3.45Å; S314-F340 WeakPolarHBondContact CB-O 3.25Å; S314-F340 WeakPolarHBondContact OG-CD1 3.27Å; S314-F340 PolarHBondContact OG-O 2.58Å; F315-F340 PolarHBondContact N-O 2.64Å; F340-T342 HydrophobicContact CE1-CG2 3.89Å; F340-T342 HydrophobicContact CE2-CG2 4Å; F340-T342 HydrophobicContact CZ-CG2 3.48Å; F340-T342 VanDerWaalsContact CZ-CG2 3.48Å; F340-F352 HydrophobicContact CE2-CB 4.19Å; F340-F352 HydrophobicContact CE2-CD2 4.34Å; F340-L353 CarbonylContact C-O 3.58Å; F340-L353 WeakPolarHBondContact CA-O 3.42Å; F340-L354 HydrophobicContact CB-CD1 4.17Å; F340-L354 HydrophobicContact CD2-CD1 4.39Å; F340-I368 HydrophobicContact CD2-CD1 4.15Å; F340-I368 HydrophobicContact CE2-CD1 4.29Å; F340-I368 HydrophobicContact CE2-CG2 3.89Å; F340-I368 HydrophobicContact CZ-CG2 4.44Å; F340-L372 HydrophobicContact CE2-CD1 4.41Å; F340-L372 HydrophobicContact CZ-CD1 4.19Å; F340-R393 HydrophobicContact CE1-CG 4.12Å; F340-V396 HydrophobicContact CD1-CG1 4.19Å; F340-V396 HydrophobicContact CD2-CG1 4.49Å; F340-V396 HydrophobicContact CE1-CB 4.09Å; F340-V396 HydrophobicContact CE1-CG1 3.67Å; F340-V396 HydrophobicContact CE2-CG1 4.01Å; F340-V396 HydrophobicContact CZ-CB 4.15Å; F340-V396 HydrophobicContact CZ-CG1 3.57Å; F340-E397 HydrophobicContact CD1-CG 3.76Å; F340-E397 HydrophobicContact CE1-CG 3.96Å; F340-L400 HydrophobicContact CB-CD1 3.61Å; F340-L400 HydrophobicContact CD1-CD1 4.03Å; F340-L400 HydrophobicContact CD2-CD1 4.09Å; F340-L400 HydrophobicContact CG-CD1 3.63Å
341L97.6Very high91.3Very high2 Ų252 Ų521%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-119.1131.1-172.7-54.3174.4000112.4F313 F315 M325 I328 A329 V339 F352 L353F313-L341 HydrophobicContact CD1-CD2 4Å; F313-L341 HydrophobicContact CE1-CD2 3.77Å; F315-L341 HydrophobicContact CB-CD2 3.76Å; F315-L341 WeakPolarHBondContact O-CA 3.43Å; M325-L341 HydrophobicContact CB-CB 4.07Å; M325-L341 HydrophobicContact CB-CD1 3.92Å; M325-L341 HydrophobicContact CG-CB 3.83Å; M325-L341 HydrophobicContact CG-CD1 4.46Å; M325-L341 WeakPolarHBondContact O-CD1 3.4Å; M325-L341 HydrophobicContact SD-CB 3.94Å; M325-L341 VanDerWaalsContact SD-O 3.38Å; I328-L341 HydrophobicContact CB-CD1 3.68Å; I328-L341 HydrophobicContact CD1-CD1 4.42Å; I328-L341 HydrophobicContact CD1-CD2 4.39Å; I328-L341 HydrophobicContact CG2-CD1 3.76Å; I328-L341 HydrophobicContact CG2-CD2 3.95Å; A329-L341 HydrophobicContact CB-CD1 4.43Å; V339-L341 HydrophobicContact CG1-CD1 3.88Å; V339-L341 HydrophobicContact CG1-CD2 4Å; V339-L341 HydrophobicContact CG1-CG 3.75Å; L341-F352 CarbonylContact O-C 3.23Å; L341-F352 WeakPolarHBondContact O-CA 3.21Å; L341-L353 HydrophobicContact CB-CB 4.39Å; L341-L353 HydrophobicContact CD1-CD2 4.31Å; L341-L353 PolarHBondContact N-O 2.75Å; L341-L353 PolarHBondContact O-N 2.81Å
342T97.1Very high91.5Very high1 Ų148.9 Ų48.91%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-95.2126.2173107.70000119F315 H316 K317 F340 F352 L390 R393F315-T342 PolarHBondContact O-N 3.37Å; H316-T342 CarbonylContact C-O 3.59Å; H316-T342 WeakPolarHBondContact CA-O 3.47Å; H316-T342 PolarHBondContact ND1-OG1 2.95Å; K317-T342 PolarHBondContact N-O 2.93Å; F340-T342 HydrophobicContact CE1-CG2 3.89Å; F340-T342 HydrophobicContact CE2-CG2 4Å; F340-T342 HydrophobicContact CZ-CG2 3.48Å; F340-T342 VanDerWaalsContact CZ-CG2 3.48Å; T342-F352 HydrophobicContact CG2-CB 3.8Å; T342-L390 HydrophobicContact CG2-CD2 4.05Å; T342-R393 HydrophobicContact CG2-CG 4.34Å; T342-R393 WeakPolarHBondContact OG1-CD 3.4Å
343V96.8Very high91.7Very high3 Ų348.5 Ų48.52%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-136.1147.5158.1-56.70000112.9K317 G320 F324 M325 G350 L351K317-V343 VanDerWaalsContact O-CA 3.24Å; K317-V343 WeakPolarHBondContact O-CA 3.48Å; K317-V343 VanDerWaalsContact O-CB 3.29Å; K317-V343 WeakPolarHBondContact O-CB 2.85Å; K317-V343 WeakPolarHBondContact O-CG1 3.35Å; G320-V343 WeakPolarHBondContact O-CB 3.31Å; F324-V343 HydrophobicContact CD1-CG1 4.04Å; M325-V343 HydrophobicContact CE-CG2 3.85Å; M325-V343 HydrophobicContact CG-CG1 3.61Å; M325-V343 HydrophobicContact CG-CG2 4.45Å; M325-V343 HydrophobicContact SD-CB 4.46Å; M325-V343 HydrophobicContact SD-CG1 3.95Å; M325-V343 HydrophobicContact SD-CG2 3.97Å; V343-G350 CarbonylContact O-C 3.52Å; V343-G350 WeakPolarHBondContact O-CA 3.07Å; V343-L351 HydrophobicContact CG2-CB 3.64Å; V343-L351 HydrophobicContact CG2-CD1 4.1Å; V343-L351 HydrophobicContact CG2-CG 4.04Å; V343-L351 PolarHBondContact N-O 3.28Å; V343-L351 PolarHBondContact O-N 2.84Å
344G94.6Very high92.6Very high16 Ų1644.2 Ų44.217%0.16523%0.234CC..EExtended strand (participates in β ladder)trans117.5-174.9-17600000113.8H316 K318H316-G344 PolarHBondContact CE1-O 3.43Å; H316-G344 PolarHBondContact NE2-O 3.37Å; K318-G344 WeakPolarHBondContact CA-O 3.49Å; K318-G344 PolarHBondContact O-N 3.25Å
345E91.6Very high93.2Very high101 Ų10143 Ų4347%0.47223%0.226SC..  trans-67.8136.8-178.1-67.3-68.2165.700111.8K318 K347 G348K318-E345 VanDerWaalsContact CE-CD 3.4Å; K318-E345 WeakPolarHBondContact CE-OE1 3.31Å; K318-E345 VanDerWaalsContact CE-OE2 3.29Å; K318-E345 WeakPolarHBondContact CE-OE2 3.49Å; K318-E345 IonicContact NZ-OE1 2.78Å; K318-E345 PolarHBondContact NZ-OE1 2.98Å; K318-E345 IonicContact NZ-OE2 3.3Å; K318-E345 PolarHBondContact NZ-OE2 3.33Å; E345-K347 PolarHBondContact O-N 2.85Å; E345-G348 PolarHBondContact O-N 2.87Å
346E83.1Confident93.8Very high127 Ų12736.1 Ų36.159%0.59320%0.195SC*.THydrogen-bonded Turntrans-54-34.1-174.2-74.2-177.1160.100114.5L390 A391E346-L390 CarbonylContact O-C 3.27Å; E346-L390 WeakPolarHBondContact O-CB 3.43Å; E346-A391 PolarHBondContact O-N 3.34Å
347K87.6Confident94.1Very high175 Ų17530 Ų3076%0.76117%0.17SC*.THydrogen-bonded Turntrans-114.62.3178.4-62.8-178-179.4178.30113.2E345 S389E345-K347 PolarHBondContact O-N 2.85Å; K347-S389 PolarHBondContact O-OG 3.19Å; K347-S389 VanDerWaalsContact O-OG 3.06Å
348G90.2Very high94Very high25 Ų2532.9 Ų32.926%0.25819%0.19SC..SBendtrans-107.2-171-176.500000112.7E345 S389 L390E345-G348 PolarHBondContact O-N 2.87Å; G348-S389 CarbonylContact O-C 3.5Å; G348-S389 VanDerWaalsContact O-CA 3.26Å; G348-S389 WeakPolarHBondContact O-CA 3.42Å; G348-L390 PolarHBondContact O-N 3.44Å
349A93.6Very high93.7Very high69 Ų6935.4 Ų35.457%0.5722%0.217SC*.  trans-66.7147.9173.900000110.9A387 N388A349-A387 VanDerWaalsContact CA-O 3.32Å; A349-A387 WeakPolarHBondContact CA-O 3.43Å; A349-N388 WeakPolarHBondContact CA-O 3.42Å
350G95.6Very high93.4Very high10 Ų1037.5 Ų37.510%0.10323%0.227CC..EExtended strand (participates in β ladder)trans-158.6-179.9-177.400000112.8V343 K386 A387V343-G350 CarbonylContact O-C 3.52Å; V343-G350 WeakPolarHBondContact O-CA 3.07Å; G350-K386 CarbonylContact O-C 3.58Å; G350-K386 WeakPolarHBondContact O-CA 3.35Å; G350-A387 PolarHBondContact N-O 3.13Å; G350-A387 PolarHBondContact O-N 3.01Å
351L96.9Very high93.2Very high48 Ų4837.7 Ų37.725%0.25123%0.228SC..EExtended strand (participates in β ladder)trans-104.4151.4168.9-48.1176.8000109.2N322 M325 V343 G385 K386N322-L351 HydrophobicContact CB-CD1 4.07Å; M325-L351 HydrophobicContact CE-CB 3.57Å; M325-L351 HydrophobicContact CE-CD1 4.37Å; V343-L351 HydrophobicContact CG2-CB 3.64Å; V343-L351 HydrophobicContact CG2-CD1 4.1Å; V343-L351 HydrophobicContact CG2-CG 4.04Å; V343-L351 PolarHBondContact N-O 3.28Å; V343-L351 PolarHBondContact O-N 2.84Å; L351-G385 WeakPolarHBondContact CA-O 3.31Å; L351-K386 HydrophobicContact CD2-CB 4.47Å; L351-K386 HydrophobicContact CD2-CD 4.44Å; L351-K386 HydrophobicContact CD2-CG 3.67Å
352F96.7Very high92.9Very high0 Ų042.5 Ų42.50%026%0.257CS..EExtended strand (participates in β ladder)trans-133.9152.6171.473.6-85.5000111F340 L341 T342 I368 L369 L372 F383 Q384 G385 A387F340-F352 HydrophobicContact CE2-CB 4.19Å; F340-F352 HydrophobicContact CE2-CD2 4.34Å; L341-F352 CarbonylContact O-C 3.23Å; L341-F352 WeakPolarHBondContact O-CA 3.21Å; T342-F352 HydrophobicContact CG2-CB 3.8Å; F352-I368 HydrophobicContact CD2-CG2 4.03Å; F352-I368 HydrophobicContact CE2-CG2 3.97Å; F352-L369 HydrophobicContact CE1-CD1 4.47Å; F352-L369 HydrophobicContact CZ-CD1 4.03Å; F352-L372 HydrophobicContact CB-CD1 3.95Å; F352-L372 HydrophobicContact CD1-CD1 3.81Å; F352-L372 HydrophobicContact CD2-CD1 4.22Å; F352-L372 HydrophobicContact CE1-CD1 4.37Å; F352-L372 HydrophobicContact CG-CD1 3.72Å; F352-F383 AromaticContact CE2-CD1 3.87Å; F352-F383 HydrophobicContact CE2-CD1 3.87Å; F352-F383 HydrophobicContact CE2-CE1 4.24Å; F352-F383 HydrophobicContact CZ-CD1 4.18Å; F352-F383 HydrophobicContact CZ-CE1 4.12Å; F352-Q384 VanDerWaalsContact O-CA 3.31Å; F352-Q384 WeakPolarHBondContact O-CA 3.23Å; F352-G385 WeakPolarHBondContact CD1-O 3.36Å; F352-G385 PolarHBondContact N-O 2.98Å; F352-G385 PolarHBondContact O-N 3.27Å; F352-G385 VanDerWaalsContact O-N 3.09Å; F352-A387 HydrophobicContact CD1-CB 4.26Å
353L97.1Very high92.6Very high0 Ų047.6 Ų47.60%028%0.281CS..EExtended strand (participates in β ladder)trans-135.8124.6173.1173.464.9000109.3M325 A329 F340 L341 R382 Q384M325-L353 HydrophobicContact CB-CB 4.18Å; M325-L353 HydrophobicContact CB-CD2 3.9Å; M325-L353 HydrophobicContact CE-CB 4.31Å; M325-L353 HydrophobicContact SD-CB 4.02Å; A329-L353 HydrophobicContact CB-CD2 3.76Å; F340-L353 CarbonylContact C-O 3.58Å; F340-L353 WeakPolarHBondContact CA-O 3.42Å; L341-L353 HydrophobicContact CB-CB 4.39Å; L341-L353 HydrophobicContact CD1-CD2 4.31Å; L341-L353 PolarHBondContact N-O 2.75Å; L341-L353 PolarHBondContact O-N 2.81Å; L353-R382 HydrophobicContact CD1-CB 4.28Å; L353-Q384 HydrophobicContact CD1-CB 3.84Å
354L96.8Very high92.5Very high0 Ų047.7 Ų47.70%028%0.282CS..EExtended strand (participates in β ladder)trans-104.9126.5162.1-175.774.5000108.1L338 V339 F340 V361 L364 I368 R382 F383 L400L338-L354 HydrophobicContact CD1-CD1 3.85Å; L338-L354 HydrophobicContact CD1-CG 4.24Å; L338-L354 HydrophobicContact CD2-CD1 4.48Å; L338-L354 HydrophobicContact CG-CD1 4.07Å; V339-L354 CarbonylContact O-C 3.55Å; V339-L354 VanDerWaalsContact O-CA 3.3Å; V339-L354 WeakPolarHBondContact O-CA 3.47Å; F340-L354 HydrophobicContact CB-CD1 4.17Å; F340-L354 HydrophobicContact CD2-CD1 4.39Å; L354-V361 HydrophobicContact CD2-CB 4.41Å; L354-V361 HydrophobicContact CD2-CG1 4.22Å; L354-V361 HydrophobicContact CD2-CG2 4.32Å; L354-V361 HydrophobicContact CG-CG2 4.37Å; L354-L364 HydrophobicContact CD2-CB 4.01Å; L354-I368 HydrophobicContact CB-CD1 4.04Å; L354-I368 HydrophobicContact CD1-CD1 3.73Å; L354-I368 HydrophobicContact CD2-CD1 3.66Å; L354-I368 HydrophobicContact CG-CD1 4Å; L354-R382 CarbonylContact O-C 3.55Å; L354-R382 WeakPolarHBondContact O-CA 3.45Å; L354-F383 HydrophobicContact CB-CB 4.27Å; L354-F383 PolarHBondContact N-O 3.2Å; L354-F383 PolarHBondContact O-N 2.99Å; L354-L400 HydrophobicContact CD1-CD1 4.06Å; L354-L400 HydrophobicContact CD1-CD2 4.46Å
355A96.3Very high92.4Very high0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-135.5144.1175.100000110.2A329 T334 V339 G381 R382A329-A355 HydrophobicContact CB-CB 3.96Å; T334-A355 HydrophobicContact CG2-CB 3.71Å; V339-A355 HydrophobicContact CB-CB 4.43Å; V339-A355 PolarHBondContact N-O 2.72Å; V339-A355 PolarHBondContact O-N 3.26Å; A355-G381 WeakPolarHBondContact CA-O 3.12Å; A355-R382 HydrophobicContact CB-CG 4.08Å
356G94.3Very high92.4Very high4 Ų445.1 Ų45.14%0.04127%0.27CS..SBendtrans166.3-167.1-171.900000112.8T334 S358 G381T334-G356 CarbonylContact O-C 3.14Å; T334-G356 WeakPolarHBondContact O-CA 3.46Å; G356-S358 PolarHBondContact O-N 2.8Å; G356-G381 PolarHBondContact N-O 2.9Å; G356-G381 VanDerWaalsContact N-O 3.12Å
357P91.4Very high92.8Very high35 Ų3545.1 Ų45.123%0.22727%0.265CS..  trans-53.3132.9172.6-22.530.6000111.3T334 E335 G359 Q360 V361T334-P357 WeakPolarHBondContact O-CD 3.34Å; E335-P357 WeakPolarHBondContact O-CG 3.23Å; P357-G359 VanDerWaalsContact C-N 3.25Å; P357-G359 PolarHBondContact O-N 3.1Å; P357-G359 VanDerWaalsContact O-N 3.13Å; P357-Q360 HydrophobicContact CB-CG 4.38Å; P357-Q360 PolarHBondContact O-N 2.84Å; P357-Q360 VanDerWaalsContact O-N 3.09Å; P357-V361 WeakPolarHBondContact O-CG2 3.19Å; P357-V361 PolarHBondContact O-N 2.76Å
358S88.1Confident93.1Very high72 Ų7236.8 Ų36.850%0.50323%0.229SC..Hα-helixtrans-58.4-34.6-169.8-71.20000113.9G356 T362 G381G356-S358 PolarHBondContact O-N 2.8Å; S358-T362 WeakPolarHBondContact O-CB 3.32Å; S358-T362 PolarHBondContact O-N 2.96Å; S358-T362 VanDerWaalsContact O-N 3.12Å; S358-T362 PolarHBondContact O-OG1 3.39Å; S358-G381 PolarHBondContact OG-N 3.38Å
359G88.2Confident93.2Very high56 Ų5637.7 Ų37.758%0.57723%0.227SC*.Hα-helixtrans-62.3-53.4174.900000112P357 V361 T362 E363P357-G359 VanDerWaalsContact C-N 3.25Å; P357-G359 PolarHBondContact O-N 3.1Å; P357-G359 VanDerWaalsContact O-N 3.13Å; G359-V361 PolarHBondContact O-N 2.95Å; G359-T362 PolarHBondContact O-N 3.28Å; G359-E363 PolarHBondContact O-N 3.08Å
360Q90.1Very high93.1Very high44 Ų4439.8 Ų39.821%0.20623%0.226CC..Hα-helixtrans-62-41.7-179.8-65.3-174.72500112.1P357 T362 E363 L364P357-Q360 HydrophobicContact CB-CG 4.38Å; P357-Q360 PolarHBondContact O-N 2.84Å; P357-Q360 VanDerWaalsContact O-N 3.09Å; Q360-T362 VanDerWaalsContact C-N 3.33Å; Q360-T362 PolarHBondContact O-N 2.77Å; Q360-E363 PolarHBondContact O-N 2.99Å; Q360-L364 HydrophobicContact CB-CD1 4.33Å; Q360-L364 VanDerWaalsContact O-CB 3.26Å; Q360-L364 WeakPolarHBondContact O-CB 3.43Å; Q360-L364 WeakPolarHBondContact O-CG 3.47Å; Q360-L364 PolarHBondContact O-N 3.02Å
361V92.8Very high92.9Very high3 Ų340.4 Ų40.42%0.01823%0.226CC..Hα-helixtrans-66.5-37-179.9174.80000111.7L338 L354 P357 G359 G365 F383L338-V361 HydrophobicContact CD1-CG2 4.26Å; L354-V361 HydrophobicContact CD2-CB 4.41Å; L354-V361 HydrophobicContact CD2-CG1 4.22Å; L354-V361 HydrophobicContact CD2-CG2 4.32Å; L354-V361 HydrophobicContact CG-CG2 4.37Å; P357-V361 WeakPolarHBondContact O-CG2 3.19Å; P357-V361 PolarHBondContact O-N 2.76Å; G359-V361 PolarHBondContact O-N 2.95Å; V361-G365 WeakPolarHBondContact O-CA 3.48Å; V361-G365 PolarHBondContact O-N 3.1Å; V361-F383 HydrophobicContact CG1-CB 3.77Å
362T91.9Very high92.7Very high103 Ų10338.2 Ų38.263%0.63222%0.215SC*.Hα-helixtrans-69.3-38.7177.7-550000111.4S358 G359 Q360 P366S358-T362 WeakPolarHBondContact O-CB 3.32Å; S358-T362 PolarHBondContact O-N 2.96Å; S358-T362 VanDerWaalsContact O-N 3.12Å; S358-T362 PolarHBondContact O-OG1 3.39Å; G359-T362 PolarHBondContact O-N 3.28Å; Q360-T362 VanDerWaalsContact C-N 3.33Å; Q360-T362 PolarHBondContact O-N 2.77Å; T362-P366 WeakPolarHBondContact O-CD 3.47Å
363E91.9Very high92.4Very high108 Ų10844.2 Ų44.251%0.50524%0.243SC..Hα-helixtrans-68.9-49.3175.5-175.4-171.6164.300111.9G359 Q360 R403G359-E363 PolarHBondContact O-N 3.08Å; Q360-E363 PolarHBondContact O-N 2.99Å; E363-R403 IonicContact OE1-CZ 3.77Å; E363-R403 IonicContact OE1-NH1 3.87Å; E363-R403 PolarHBondContact OE1-NH1 3.46Å; E363-R403 IonicContact OE1-NH2 3.46Å
364L93.5Very high92.1Very high6 Ų644.8 Ų44.83%0.03125%0.249CC..Hα-helixtrans-85.8-28.9-168.3-61.4171.6000113.4L338 L354 Q360 R367 I368 F399 L400L338-L364 HydrophobicContact CD2-CD1 3.8Å; L354-L364 HydrophobicContact CD2-CB 4.01Å; Q360-L364 HydrophobicContact CB-CD1 4.33Å; Q360-L364 VanDerWaalsContact O-CB 3.26Å; Q360-L364 WeakPolarHBondContact O-CB 3.43Å; Q360-L364 WeakPolarHBondContact O-CG 3.47Å; Q360-L364 PolarHBondContact O-N 3.02Å; L364-R367 WeakPolarHBondContact O-CB 3.5Å; L364-R367 PolarHBondContact O-N 2.98Å; L364-R367 VanDerWaalsContact O-N 3.08Å; L364-I368 WeakPolarHBondContact O-CG1 3.47Å; L364-I368 PolarHBondContact O-N 2.93Å; L364-F399 HydrophobicContact CD2-CE1 3.85Å; L364-F399 HydrophobicContact CD2-CZ 3.96Å; L364-L400 HydrophobicContact CB-CD2 4.26Å; L364-L400 HydrophobicContact CD1-CD2 3.87Å; L364-L400 HydrophobicContact CG-CD2 4.45Å
365G92.3Very high92Very high0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-53.6-52.6-175.900000114.6V361 R367 I368 L369V361-G365 WeakPolarHBondContact O-CA 3.48Å; V361-G365 PolarHBondContact O-N 3.1Å; G365-R367 VanDerWaalsContact C-N 3.27Å; G365-R367 PolarHBondContact O-N 2.83Å; G365-I368 PolarHBondContact O-N 2.81Å; G365-L369 PolarHBondContact O-N 2.95Å; G365-L369 VanDerWaalsContact O-N 3.07Å
366P93Very high91.8Very high62 Ų6254.6 Ų54.640%0.40330%0.301SS..Hα-helixtrans-59.3-35175.7-25.635.5000113.3T362 L369 E370 F383T362-P366 WeakPolarHBondContact O-CD 3.47Å; P366-L369 VanDerWaalsContact O-CB 3.28Å; P366-L369 WeakPolarHBondContact O-CB 3.46Å; P366-L369 PolarHBondContact O-N 2.85Å; P366-E370 PolarHBondContact O-N 3.26Å; P366-E370 VanDerWaalsContact O-N 3.16Å; P366-F383 HydrophobicContact CG-CE2 4.28Å
367R91.6Very high91.8Very high128 Ų12857.7 Ų57.748%0.48333%0.327SS..Hα-helixtrans-70.5-38.5179.3-170.256.8172.6-176.1-3.6112.4L364 G365 L369 E370 L371 F399L364-R367 WeakPolarHBondContact O-CB 3.5Å; L364-R367 PolarHBondContact O-N 2.98Å; L364-R367 VanDerWaalsContact O-N 3.08Å; G365-R367 VanDerWaalsContact C-N 3.27Å; G365-R367 PolarHBondContact O-N 2.83Å; R367-L369 VanDerWaalsContact C-N 3.3Å; R367-E370 WeakPolarHBondContact CD-OE2 3.28Å; R367-E370 IonicContact CZ-OE2 3.28Å; R367-E370 IonicContact NE-OE2 3.02Å; R367-E370 IonicContact NH1-OE2 3.78Å; R367-E370 PolarHBondContact NH1-OE2 3.24Å; R367-E370 PolarHBondContact O-N 3.16Å; R367-L371 WeakPolarHBondContact O-CG 3.37Å; R367-L371 PolarHBondContact O-N 3.15Å; R367-F399 HydrophobicContact CG-CE1 4.04Å; R367-F399 HydrophobicContact CG-CZ 3.98Å
368I92.5Very high91.7Very high0 Ų058.2 Ų58.20%034%0.338CS..Hα-helixtrans-61.7-42.3171.9-64.7178.5000110.5F340 F352 L354 L364 G365 E370 L371 L372 V396 L400F340-I368 HydrophobicContact CD2-CD1 4.15Å; F340-I368 HydrophobicContact CE2-CD1 4.29Å; F340-I368 HydrophobicContact CE2-CG2 3.89Å; F340-I368 HydrophobicContact CZ-CG2 4.44Å; F352-I368 HydrophobicContact CD2-CG2 4.03Å; F352-I368 HydrophobicContact CE2-CG2 3.97Å; L354-I368 HydrophobicContact CB-CD1 4.04Å; L354-I368 HydrophobicContact CD1-CD1 3.73Å; L354-I368 HydrophobicContact CD2-CD1 3.66Å; L354-I368 HydrophobicContact CG-CD1 4Å; L364-I368 WeakPolarHBondContact O-CG1 3.47Å; L364-I368 PolarHBondContact O-N 2.93Å; G365-I368 PolarHBondContact O-N 2.81Å; I368-E370 VanDerWaalsContact C-N 3.31Å; I368-E370 PolarHBondContact O-N 3.34Å; I368-L371 PolarHBondContact O-N 3.16Å; I368-L372 HydrophobicContact CG2-CD1 3.63Å; I368-L372 HydrophobicContact CG2-CG 4.13Å; I368-L372 WeakPolarHBondContact O-CB 3.45Å; I368-L372 WeakPolarHBondContact O-CG 3.21Å; I368-L372 PolarHBondContact O-N 3.02Å; I368-V396 HydrophobicContact CB-CG1 4.45Å; I368-V396 HydrophobicContact CD1-CG1 4.21Å; I368-V396 HydrophobicContact CG1-CG1 3.87Å; I368-V396 HydrophobicContact CG2-CG1 4.04Å; I368-L400 HydrophobicContact CD1-CD1 3.85Å; I368-L400 HydrophobicContact CD1-CD2 3.98Å; I368-L400 HydrophobicContact CD1-CG 4.41Å; I368-L400 HydrophobicContact CG1-CD2 4.37Å
369L91.9Very high91.6Very high43 Ų4362.4 Ų62.423%0.22535%0.347CS..Hα-helixtrans-56.6-45178.1-169.394.1000111.9F352 G365 P366 R367 Q373 G374 G376 F383F352-L369 HydrophobicContact CE1-CD1 4.47Å; F352-L369 HydrophobicContact CZ-CD1 4.03Å; G365-L369 PolarHBondContact O-N 2.95Å; G365-L369 VanDerWaalsContact O-N 3.07Å; P366-L369 VanDerWaalsContact O-CB 3.28Å; P366-L369 WeakPolarHBondContact O-CB 3.46Å; P366-L369 PolarHBondContact O-N 2.85Å; R367-L369 VanDerWaalsContact C-N 3.3Å; L369-Q373 WeakPolarHBondContact O-CA 3.44Å; L369-Q373 PolarHBondContact O-N 2.79Å; L369-G374 WeakPolarHBondContact CG-O 3.3Å; L369-G374 PolarHBondContact O-N 3.31Å; L369-G376 VanDerWaalsContact CD1-N 3.26Å; L369-F383 HydrophobicContact CB-CE1 4.41Å; L369-F383 HydrophobicContact CD1-CE1 4.1Å
370E91.5Very high91.5Very high114 Ų11466.3 Ų66.353%0.53336%0.355SS..Hα-helixtrans-62.2-45.3176.4-71.3175.9175.700111.9P366 R367 I368 L372 Q373P366-E370 PolarHBondContact O-N 3.26Å; P366-E370 VanDerWaalsContact O-N 3.16Å; R367-E370 WeakPolarHBondContact CD-OE2 3.28Å; R367-E370 IonicContact CZ-OE2 3.28Å; R367-E370 IonicContact NE-OE2 3.02Å; R367-E370 IonicContact NH1-OE2 3.78Å; R367-E370 PolarHBondContact NH1-OE2 3.24Å; R367-E370 PolarHBondContact O-N 3.16Å; I368-E370 VanDerWaalsContact C-N 3.31Å; I368-E370 PolarHBondContact O-N 3.34Å; E370-L372 PolarHBondContact O-N 2.97Å; E370-Q373 PolarHBondContact O-N 2.91Å
371L92.3Very high91.3Very high22 Ų2264.7 Ų64.712%0.11535%0.35CS..Hα-helixtrans-64.4-41.6-178.9-71.6172000112.2R367 I368 Q373 R392 V396R367-L371 WeakPolarHBondContact O-CG 3.37Å; R367-L371 PolarHBondContact O-N 3.15Å; I368-L371 PolarHBondContact O-N 3.16Å; L371-Q373 VanDerWaalsContact C-N 3.27Å; L371-R392 VanDerWaalsContact CD2-NH2 3.32Å; L371-R392 PolarHBondContact O-NH1 2.9Å; L371-V396 HydrophobicContact CB-CG2 3.66Å; L371-V396 HydrophobicContact CD1-CG2 3.8Å; L371-V396 HydrophobicContact CG-CG2 4.37Å
372L92.9Very high91.4Very high2 Ų268.1 Ų68.11%0.0136%0.363CS..THydrogen-bonded Turntrans-83.9-1.9177.5-62.2-178.5000113.5F340 F352 I368 E370 G374 A387 N388 L390 V396F340-L372 HydrophobicContact CE2-CD1 4.41Å; F340-L372 HydrophobicContact CZ-CD1 4.19Å; F352-L372 HydrophobicContact CB-CD1 3.95Å; F352-L372 HydrophobicContact CD1-CD1 3.81Å; F352-L372 HydrophobicContact CD2-CD1 4.22Å; F352-L372 HydrophobicContact CE1-CD1 4.37Å; F352-L372 HydrophobicContact CG-CD1 3.72Å; I368-L372 HydrophobicContact CG2-CD1 3.63Å; I368-L372 HydrophobicContact CG2-CG 4.13Å; I368-L372 WeakPolarHBondContact O-CB 3.45Å; I368-L372 WeakPolarHBondContact O-CG 3.21Å; I368-L372 PolarHBondContact O-N 3.02Å; E370-L372 PolarHBondContact O-N 2.97Å; L372-G374 PolarHBondContact O-N 3.24Å; L372-A387 HydrophobicContact CB-CB 3.9Å; L372-A387 HydrophobicContact CD1-CB 4.21Å; L372-N388 PolarHBondContact O-N 2.92Å; L372-L390 HydrophobicContact CD2-CD2 4.46Å; L372-V396 HydrophobicContact CD2-CG2 3.94Å; L372-V396 HydrophobicContact CG-CG2 4.13Å
373Q91.3Very high91.5Very high126 Ų12664.2 Ų64.259%0.58934%0.337SS*.THydrogen-bonded Turntrans49.343.7-177.2-57.7178.71.400112L369 E370 L371 N388L369-Q373 WeakPolarHBondContact O-CA 3.44Å; L369-Q373 PolarHBondContact O-N 2.79Å; E370-Q373 PolarHBondContact O-N 2.91Å; L371-Q373 VanDerWaalsContact C-N 3.27Å; Q373-N388 WeakPolarHBondContact O-CB 3.49Å; Q373-N388 PolarHBondContact O-ND2 2.98Å
374G90.4Very high91.7Very high12 Ų1262.7 Ų62.712%0.12433%0.33CS..  trans-107.8-174.1-167.100000115.6L369 L372 K386L369-G374 WeakPolarHBondContact CG-O 3.3Å; L369-G374 PolarHBondContact O-N 3.31Å; L372-G374 PolarHBondContact O-N 3.24Å; G374-K386 CarbonylContact C-O 3.19Å; G374-K386 WeakPolarHBondContact CA-O 3.49Å
375K94.3Very high91.8Very high172 Ų17263.1 Ų63.175%0.74834%0.336SS*.EExtended strand (participates in β ladder)trans-125.8134.5167.3-68.2-173.9-178.5-178.70109.6G385 K386K375-G385 CarbonylContact O-C 3.55Å; K375-G385 WeakPolarHBondContact O-CA 3.46Å; K375-K386 PolarHBondContact N-O 2.78Å; K375-K386 PolarHBondContact O-N 2.76Å
376G92.8Very high92Very high35 Ų3570 Ų7036%0.36137%0.366SS..EExtended strand (participates in β ladder)trans-171.1170.6-17500000111.5L369 Q384L369-G376 VanDerWaalsContact CD1-N 3.26Å; G376-Q384 CarbonylContact C-O 3.41Å; G376-Q384 WeakPolarHBondContact CA-O 3.5Å
377A92.7Very high92.1Very high69 Ų6967.1 Ų67.157%0.5735%0.347SS*.EExtended strand (participates in β ladder)trans-144.5153.917800000110.1Q384A377-Q384 PolarHBondContact N-O 3.02Å; A377-Q384 PolarHBondContact O-N 3.25Å
378G89.4Confident92.1Very high45 Ų4566.4 Ų66.446%0.46435%0.353SS..EExtended strand (participates in β ladder)trans-114.1141.7175.900000113.4R382G378-R382 CarbonylContact C-O 3.51Å; G378-R382 WeakPolarHBondContact CA-O 3.18Å
379K87.4Confident92Very high160 Ų16068.2 Ų68.270%0.69637%0.365SS*.EExtended strand (participates in β ladder)trans-155.2139.6171.8-172.5174.1-179.9-179.90109.5G381 R382K379-G381 PolarHBondContact O-N 2.9Å; K379-R382 PolarHBondContact N-O 2.76Å; K379-R382 PolarHBondContact O-N 3.18Å; K379-R382 VanDerWaalsContact O-N 3.16Å
380N84.3Confident92.1Very high139 Ų13966.3 Ų66.374%0.74336%0.355SS*.THydrogen-bonded Turntrans50.256.7172.4-60.1-6.5000114R382N380-R382 PolarHBondContact O-N 3.4Å
381G87.4Confident92.2Very high10 Ų1063.8 Ų63.810%0.10335%0.354CS..THydrogen-bonded Turntrans69.416.8177.900000114.9A355 G356 S358 K379A355-G381 WeakPolarHBondContact CA-O 3.12Å; G356-G381 PolarHBondContact N-O 2.9Å; G356-G381 VanDerWaalsContact N-O 3.12Å; S358-G381 PolarHBondContact OG-N 3.38Å; K379-G381 PolarHBondContact O-N 2.9Å
382R93.9Very high92.3Very high74 Ų7466.8 Ų66.828%0.27936%0.364SS..EExtended strand (participates in β ladder)trans-130.8145173.1-62.5-173.2-176.81728.1111.2N326 N330 L353 L354 A355 G378 K379 N380N326-R382 PolarHBondContact OD1-NH1 3.36Å; N330-R382 VanDerWaalsContact OD1-CZ 3.22Å; N330-R382 PolarHBondContact OD1-NH1 2.92Å; N330-R382 VanDerWaalsContact OD1-NH1 3.09Å; N330-R382 PolarHBondContact OD1-NH2 3.09Å; L353-R382 HydrophobicContact CD1-CB 4.28Å; L354-R382 CarbonylContact O-C 3.55Å; L354-R382 WeakPolarHBondContact O-CA 3.45Å; A355-R382 HydrophobicContact CB-CG 4.08Å; G378-R382 CarbonylContact C-O 3.51Å; G378-R382 WeakPolarHBondContact CA-O 3.18Å; K379-R382 PolarHBondContact N-O 2.76Å; K379-R382 PolarHBondContact O-N 3.18Å; K379-R382 VanDerWaalsContact O-N 3.16Å; N380-R382 PolarHBondContact O-N 3.4Å
383F95.4Very high92.3Very high21 Ų2168.5 Ų68.59%0.09237%0.37CS..EExtended strand (participates in β ladder)trans-135.2115.6171.7-161.7-72.1000108.8F352 L354 V361 P366 L369F352-F383 AromaticContact CE2-CD1 3.87Å; F352-F383 HydrophobicContact CE2-CD1 3.87Å; F352-F383 HydrophobicContact CE2-CE1 4.24Å; F352-F383 HydrophobicContact CZ-CD1 4.18Å; F352-F383 HydrophobicContact CZ-CE1 4.12Å; L354-F383 HydrophobicContact CB-CB 4.27Å; L354-F383 PolarHBondContact N-O 3.2Å; L354-F383 PolarHBondContact O-N 2.99Å; V361-F383 HydrophobicContact CG1-CB 3.77Å; P366-F383 HydrophobicContact CG-CE2 4.28Å; L369-F383 HydrophobicContact CB-CE1 4.41Å; L369-F383 HydrophobicContact CD1-CE1 4.1Å
384Q95.4Very high92.4Very high77 Ų7769 Ų6936%0.3637%0.372SS..EExtended strand (participates in β ladder)trans-134.6152.3-174.366.5-175.76.300111.8F352 L353 G376 A377F352-Q384 VanDerWaalsContact O-CA 3.31Å; F352-Q384 WeakPolarHBondContact O-CA 3.23Å; L353-Q384 HydrophobicContact CD1-CB 3.84Å; G376-Q384 CarbonylContact C-O 3.41Å; G376-Q384 WeakPolarHBondContact CA-O 3.5Å; A377-Q384 PolarHBondContact N-O 3.02Å; A377-Q384 PolarHBondContact O-N 3.25Å
385G94.7Very high92.6Very high15 Ų1573 Ų7316%0.15539%0.388CS..EExtended strand (participates in β ladder)trans-175-176.5-17600000114.6L351 F352 K375L351-G385 WeakPolarHBondContact CA-O 3.31Å; F352-G385 WeakPolarHBondContact CD1-O 3.36Å; F352-G385 PolarHBondContact N-O 2.98Å; F352-G385 PolarHBondContact O-N 3.27Å; F352-G385 VanDerWaalsContact O-N 3.09Å; K375-G385 CarbonylContact O-C 3.55Å; K375-G385 WeakPolarHBondContact O-CA 3.46Å
386K96.1Very high92.6Very high145 Ų14564.8 Ų64.863%0.6335%0.352SS*.EExtended strand (participates in β ladder)trans-98.6125.5171.5-60.8-168.8173.8-1780109G350 L351 G374 K375G350-K386 CarbonylContact O-C 3.58Å; G350-K386 WeakPolarHBondContact O-CA 3.35Å; L351-K386 HydrophobicContact CD2-CB 4.47Å; L351-K386 HydrophobicContact CD2-CD 4.44Å; L351-K386 HydrophobicContact CD2-CG 3.67Å; G374-K386 CarbonylContact C-O 3.19Å; G374-K386 WeakPolarHBondContact CA-O 3.49Å; K375-K386 PolarHBondContact N-O 2.78Å; K375-K386 PolarHBondContact O-N 2.76Å
387A95.1Very high92.7Very high1 Ų164.9 Ų64.91%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-87.7135.2167.700000109.2A349 G350 F352 L372 S389 L390A349-A387 VanDerWaalsContact CA-O 3.32Å; A349-A387 WeakPolarHBondContact CA-O 3.43Å; G350-A387 PolarHBondContact N-O 3.13Å; G350-A387 PolarHBondContact O-N 3.01Å; F352-A387 HydrophobicContact CD1-CB 4.26Å; L372-A387 HydrophobicContact CB-CB 3.9Å; L372-A387 HydrophobicContact CD1-CB 4.21Å; A387-S389 VanDerWaalsContact C-N 3.32Å; A387-L390 HydrophobicContact CB-CD2 3.69Å; A387-L390 HydrophobicContact CB-CG 4.41Å
388N91.5Very high92.7Very high112 Ų11264.6 Ų64.660%0.59934%0.341SS*.SBendtrans-73.7-30173.5-74.1-17.4000111.2A349 L372 Q373A349-N388 WeakPolarHBondContact CA-O 3.42Å; L372-N388 PolarHBondContact O-N 2.92Å; Q373-N388 WeakPolarHBondContact O-CB 3.49Å; Q373-N388 PolarHBondContact O-ND2 2.98Å
389S91.2Very high92.9Very high38 Ų3865.2 Ų65.227%0.26633%0.331SS..  trans-148.4135.6170-1780000111K347 G348 A387 A391K347-S389 PolarHBondContact O-OG 3.19Å; K347-S389 VanDerWaalsContact O-OG 3.06Å; G348-S389 CarbonylContact O-C 3.5Å; G348-S389 VanDerWaalsContact O-CA 3.26Å; G348-S389 WeakPolarHBondContact O-CA 3.42Å; A387-S389 VanDerWaalsContact C-N 3.32Å; S389-A391 VanDerWaalsContact C-N 3.32Å; S389-A391 WeakPolarHBondContact OG-CB 3.32Å; S389-A391 PolarHBondContact OG-N 3.1Å
390L93.9Very high93.2Very high3 Ų357.6 Ų57.62%0.01630%0.298CS..  trans-87.55.4171.3-65.9-180000113.5T342 E346 G348 L372 A387 R392 R393T342-L390 HydrophobicContact CG2-CD2 4.05Å; E346-L390 CarbonylContact O-C 3.27Å; E346-L390 WeakPolarHBondContact O-CB 3.43Å; G348-L390 PolarHBondContact O-N 3.44Å; L372-L390 HydrophobicContact CD2-CD2 4.46Å; A387-L390 HydrophobicContact CB-CD2 3.69Å; A387-L390 HydrophobicContact CB-CG 4.41Å; L390-R392 PolarHBondContact O-N 3.49Å; L390-R393 WeakPolarHBondContact O-CB 3.45Å; L390-R393 PolarHBondContact O-N 2.93Å
391A93.7Very high93.5Very high62 Ų6257.6 Ų57.651%0.51229%0.288SS..THydrogen-bonded Turntrans-58-27.1-177.900000113.8E346 S389E346-A391 PolarHBondContact O-N 3.34Å; S389-A391 VanDerWaalsContact C-N 3.32Å; S389-A391 WeakPolarHBondContact OG-CB 3.32Å; S389-A391 PolarHBondContact OG-N 3.1Å
392R93.6Very high93.6Very high84 Ų8462.7 Ų62.732%0.31731%0.309SS..THydrogen-bonded Turntrans-98.913.1178.6-57.8-17566-158.63.8113.5L371 L390 E394 E395 V396L371-R392 VanDerWaalsContact CD2-NH2 3.32Å; L371-R392 PolarHBondContact O-NH1 2.9Å; L390-R392 PolarHBondContact O-N 3.49Å; R392-E394 VanDerWaalsContact C-N 3.28Å; R392-E394 PolarHBondContact O-N 3.25Å; R392-E395 WeakPolarHBondContact CG-OE1 3.19Å; R392-E395 IonicContact CZ-OE2 2.73Å; R392-E395 VanDerWaalsContact CZ-OE2 3.31Å; R392-E395 IonicContact NE-OE1 3.7Å; R392-E395 PolarHBondContact NE-OE1 2.87Å; R392-E395 VanDerWaalsContact NE-OE1 3.11Å; R392-E395 IonicContact NE-OE2 3.23Å; R392-E395 PolarHBondContact NE-OE2 2.77Å; R392-E395 IonicContact NH2-OE2 2.73Å; R392-E395 PolarHBondContact NH2-OE2 2.83Å; R392-E395 WeakPolarHBondContact O-CB 3.26Å; R392-E395 PolarHBondContact O-N 2.9Å; R392-V396 PolarHBondContact O-N 3.35Å; R392-V396 VanDerWaalsContact O-N 3.15Å
393R94.5Very high93.2Very high39 Ų3964.9 Ų64.915%0.14732%0.317CS..Hα-helixtrans-54.2-43.9178.6176.5-164.265.5954.1111.9F340 T342 L390 E395 V396 E397F340-R393 HydrophobicContact CE1-CG 4.12Å; T342-R393 HydrophobicContact CG2-CG 4.34Å; T342-R393 WeakPolarHBondContact OG1-CD 3.4Å; L390-R393 WeakPolarHBondContact O-CB 3.45Å; L390-R393 PolarHBondContact O-N 2.93Å; R393-E395 VanDerWaalsContact C-N 3.32Å; R393-E395 PolarHBondContact O-N 2.81Å; R393-V396 WeakPolarHBondContact O-CB 3.29Å; R393-V396 PolarHBondContact O-N 2.88Å; R393-V396 VanDerWaalsContact O-N 3.13Å; R393-E397 WeakPolarHBondContact CD-OE1 3.43Å; R393-E397 VanDerWaalsContact CG-OE1 3.31Å; R393-E397 WeakPolarHBondContact CG-OE1 3.21Å; R393-E397 IonicContact CZ-OE1 2.69Å; R393-E397 IonicContact CZ-OE2 3.32Å; R393-E397 IonicContact NE-OE1 2.72Å; R393-E397 IonicContact NH1-OE1 2.79Å; R393-E397 PolarHBondContact NH1-OE1 2.95Å; R393-E397 IonicContact NH1-OE2 3.81Å; R393-E397 PolarHBondContact NH1-OE2 3.49Å; R393-E397 PolarHBondContact O-N 3.23Å
394E93.4Very high92.6Very high135 Ų13564.1 Ų64.163%0.63131%0.314SS*.Hα-helixtrans-66.2-34.8-178.7-66.2-176.4175.900112.3R392 V396 E397 A398R392-E394 VanDerWaalsContact C-N 3.28Å; R392-E394 PolarHBondContact O-N 3.25Å; E394-V396 VanDerWaalsContact C-N 3.32Å; E394-E397 PolarHBondContact O-N 3.01Å; E394-A398 WeakPolarHBondContact O-CB 3.48Å; E394-A398 PolarHBondContact O-N 3.27Å
395E94.3Very high91.7Very high96 Ų9667 Ų6745%0.44933%0.326SS..Hα-helixtrans-63.2-41.1172.2-63.8175.1-126.900111.1R392 R393 A398 F399R392-E395 WeakPolarHBondContact CG-OE1 3.19Å; R392-E395 IonicContact CZ-OE2 2.73Å; R392-E395 VanDerWaalsContact CZ-OE2 3.31Å; R392-E395 IonicContact NE-OE1 3.7Å; R392-E395 PolarHBondContact NE-OE1 2.87Å; R392-E395 VanDerWaalsContact NE-OE1 3.11Å; R392-E395 IonicContact NE-OE2 3.23Å; R392-E395 PolarHBondContact NE-OE2 2.77Å; R392-E395 IonicContact NH2-OE2 2.73Å; R392-E395 PolarHBondContact NH2-OE2 2.83Å; R392-E395 WeakPolarHBondContact O-CB 3.26Å; R392-E395 PolarHBondContact O-N 2.9Å; R393-E395 VanDerWaalsContact C-N 3.32Å; R393-E395 PolarHBondContact O-N 2.81Å; E395-A398 PolarHBondContact O-N 2.93Å; E395-F399 WeakPolarHBondContact O-CB 3.41Å; E395-F399 PolarHBondContact O-N 2.93Å
396V94.4Very high90.1Very high0 Ų071.3 Ų71.30%034%0.342CS..Hα-helixtrans-62.8-45.6175177.40000110.6F340 I368 L371 L372 R392 R393 E394 A398 F399 L400F340-V396 HydrophobicContact CD1-CG1 4.19Å; F340-V396 HydrophobicContact CD2-CG1 4.49Å; F340-V396 HydrophobicContact CE1-CB 4.09Å; F340-V396 HydrophobicContact CE1-CG1 3.67Å; F340-V396 HydrophobicContact CE2-CG1 4.01Å; F340-V396 HydrophobicContact CZ-CB 4.15Å; F340-V396 HydrophobicContact CZ-CG1 3.57Å; I368-V396 HydrophobicContact CB-CG1 4.45Å; I368-V396 HydrophobicContact CD1-CG1 4.21Å; I368-V396 HydrophobicContact CG1-CG1 3.87Å; I368-V396 HydrophobicContact CG2-CG1 4.04Å; L371-V396 HydrophobicContact CB-CG2 3.66Å; L371-V396 HydrophobicContact CD1-CG2 3.8Å; L371-V396 HydrophobicContact CG-CG2 4.37Å; L372-V396 HydrophobicContact CD2-CG2 3.94Å; L372-V396 HydrophobicContact CG-CG2 4.13Å; R392-V396 PolarHBondContact O-N 3.35Å; R392-V396 VanDerWaalsContact O-N 3.15Å; R393-V396 WeakPolarHBondContact O-CB 3.29Å; R393-V396 PolarHBondContact O-N 2.88Å; R393-V396 VanDerWaalsContact O-N 3.13Å; E394-V396 VanDerWaalsContact C-N 3.32Å; V396-A398 PolarHBondContact O-N 2.8Å; V396-F399 WeakPolarHBondContact O-CB 3.32Å; V396-F399 PolarHBondContact O-N 3.24Å; V396-L400 HydrophobicContact CG1-CD1 3.82Å; V396-L400 HydrophobicContact CG1-CG 4.23Å; V396-L400 VanDerWaalsContact O-CG 3.28Å; V396-L400 WeakPolarHBondContact O-CG 3.49Å; V396-L400 PolarHBondContact O-N 3.04Å
397E94.5Very high88.3Confident38 Ų3868.2 Ų68.218%0.17833%0.329CS..Hα-helixtrans-62-42.4178.8-76.7172.4-161.600112.6S314 F340 R393 E394 R401S314-E397 VanDerWaalsContact OG-CD 3.28Å; S314-E397 WeakPolarHBondContact OG-CG 3.39Å; S314-E397 PolarHBondContact OG-OE1 2.82Å; S314-E397 VanDerWaalsContact OG-OE1 3.06Å; F340-E397 HydrophobicContact CD1-CG 3.76Å; F340-E397 HydrophobicContact CE1-CG 3.96Å; R393-E397 WeakPolarHBondContact CD-OE1 3.43Å; R393-E397 VanDerWaalsContact CG-OE1 3.31Å; R393-E397 WeakPolarHBondContact CG-OE1 3.21Å; R393-E397 IonicContact CZ-OE1 2.69Å; R393-E397 IonicContact CZ-OE2 3.32Å; R393-E397 IonicContact NE-OE1 2.72Å; R393-E397 IonicContact NH1-OE1 2.79Å; R393-E397 PolarHBondContact NH1-OE1 2.95Å; R393-E397 IonicContact NH1-OE2 3.81Å; R393-E397 PolarHBondContact NH1-OE2 3.49Å; R393-E397 PolarHBondContact O-N 3.23Å; E394-E397 PolarHBondContact O-N 3.01Å; E397-R401 VanDerWaalsContact O-CB 3.26Å; E397-R401 WeakPolarHBondContact O-CB 3.28Å; E397-R401 PolarHBondContact O-N 3.1Å
398A93.3Very high86.5Confident63 Ų6370.9 Ų70.952%0.52135%0.347SS..Hα-helixtrans-63.1-45.2175.300000111.6E394 E395 V396 R401 Q402E394-A398 WeakPolarHBondContact O-CB 3.48Å; E394-A398 PolarHBondContact O-N 3.27Å; E395-A398 PolarHBondContact O-N 2.93Å; V396-A398 PolarHBondContact O-N 2.8Å; A398-R401 PolarHBondContact O-N 2.85Å; A398-Q402 PolarHBondContact O-N 2.92Å
399F93.8Very high84.4Confident58 Ų5869 Ų6925%0.25434%0.344SS..Hα-helixtrans-58.7-48.3177.1169-106.8000112.1L364 R367 E395 V396 Q402 R403L364-F399 HydrophobicContact CD2-CE1 3.85Å; L364-F399 HydrophobicContact CD2-CZ 3.96Å; R367-F399 HydrophobicContact CG-CE1 4.04Å; R367-F399 HydrophobicContact CG-CZ 3.98Å; E395-F399 WeakPolarHBondContact O-CB 3.41Å; E395-F399 PolarHBondContact O-N 2.93Å; V396-F399 WeakPolarHBondContact O-CB 3.32Å; V396-F399 PolarHBondContact O-N 3.24Å; F399-Q402 PolarHBondContact O-N 3.04Å; F399-R403 PolarHBondContact O-N 2.9Å
400L93.4Very high82.2Confident0 Ų074.3 Ų74.30%036%0.364CS..Hα-helixtrans-66.2-43.1179.5-65.5173.5000111.8F312 L338 F340 L354 L364 I368 V396 Q402 R403 C404F312-L400 HydrophobicContact CD2-CB 4.3Å; F312-L400 HydrophobicContact CE2-CB 3.53Å; F312-L400 HydrophobicContact CE2-CD1 3.95Å; F312-L400 HydrophobicContact CE2-CG 4.38Å; F312-L400 HydrophobicContact CZ-CB 3.65Å; F312-L400 HydrophobicContact CZ-CD1 4.16Å; L338-L400 HydrophobicContact CD2-CD2 4.17Å; F340-L400 HydrophobicContact CB-CD1 3.61Å; F340-L400 HydrophobicContact CD1-CD1 4.03Å; F340-L400 HydrophobicContact CD2-CD1 4.09Å; F340-L400 HydrophobicContact CG-CD1 3.63Å; L354-L400 HydrophobicContact CD1-CD1 4.06Å; L354-L400 HydrophobicContact CD1-CD2 4.46Å; L364-L400 HydrophobicContact CB-CD2 4.26Å; L364-L400 HydrophobicContact CD1-CD2 3.87Å; L364-L400 HydrophobicContact CG-CD2 4.45Å; I368-L400 HydrophobicContact CD1-CD1 3.85Å; I368-L400 HydrophobicContact CD1-CD2 3.98Å; I368-L400 HydrophobicContact CD1-CG 4.41Å; I368-L400 HydrophobicContact CG1-CD2 4.37Å; V396-L400 HydrophobicContact CG1-CD1 3.82Å; V396-L400 HydrophobicContact CG1-CG 4.23Å; V396-L400 VanDerWaalsContact O-CG 3.28Å; V396-L400 WeakPolarHBondContact O-CG 3.49Å; V396-L400 PolarHBondContact O-N 3.04Å; L400-Q402 VanDerWaalsContact C-N 3.3Å; L400-Q402 PolarHBondContact O-N 2.85Å; L400-R403 PolarHBondContact O-N 2.85Å; L400-C404 PolarHBondContact O-N 3.36Å; L400-C404 PolarHBondContact O-SG 3.29Å
401R90.9Very high79.8Confident139 Ų13982 Ų8253%0.52540%0.4SS..Hα-helixtrans-61.5-37.3177.8-173.3180-73.2-94.84112.3F312 E397 A398 K405F312-R401 HydrophobicContact CD1-CB 3.94Å; F312-R401 HydrophobicContact CD1-CG 4.29Å; F312-R401 HydrophobicContact CE1-CB 4.01Å; E397-R401 VanDerWaalsContact O-CB 3.26Å; E397-R401 WeakPolarHBondContact O-CB 3.28Å; E397-R401 PolarHBondContact O-N 3.1Å; A398-R401 PolarHBondContact O-N 2.85Å; R401-K405 WeakPolarHBondContact O-CG 3.45Å; R401-K405 PolarHBondContact O-N 2.97Å
402Q88.6Confident77Confident117 Ų11790.1 Ų90.155%0.54743%0.427SS..Hα-helixtrans-65.2-42176.4-173.7177.63.700111.7A398 F399 L400 K405 H406A398-Q402 PolarHBondContact O-N 2.92Å; F399-Q402 PolarHBondContact O-N 3.04Å; L400-Q402 VanDerWaalsContact C-N 3.3Å; L400-Q402 PolarHBondContact O-N 2.85Å; Q402-K405 PolarHBondContact O-N 3.41Å; Q402-H406 PolarHBondContact O-N 2.88Å
403R85.4Confident76.1Confident120 Ų12090.4 Ų90.445%0.45343%0.432SS..Hα-helixtrans-66.2-40.5178.4-87.5-64.1-172.3118.72.3113.2E363 F399 L400 K405 H406 H407E363-R403 IonicContact OE1-CZ 3.77Å; E363-R403 IonicContact OE1-NH1 3.87Å; E363-R403 PolarHBondContact OE1-NH1 3.46Å; E363-R403 IonicContact OE1-NH2 3.46Å; F399-R403 PolarHBondContact O-N 2.9Å; L400-R403 PolarHBondContact O-N 2.85Å; R403-K405 PolarHBondContact O-N 3.45Å; R403-H406 PolarHBondContact O-N 2.94Å; R403-H407 PolarHBondContact O-N 2.95Å
404C82.3Confident75.2Confident5 Ų593.1 Ų93.13%0.03445%0.448CS..Hα-helixtrans-62.4-30.8175.5-70.20000113.2N311 F312 L400 S408N311-C404 PolarHBondContact ND2-O 3.03Å; N311-C404 WeakPolarHBondContact OD1-CB 3.45Å; F312-C404 HydrophobicContact CB-CB 4.09Å; L400-C404 PolarHBondContact O-N 3.36Å; L400-C404 PolarHBondContact O-SG 3.29Å; C404-S408 PolarHBondContact O-OG 2.99Å; C404-S408 VanDerWaalsContact O-OG 3.04Å
405K76.7Confident74.1Confident137 Ų13790.8 Ų90.860%0.59644%0.437SS*.Hα-helixtrans-72.8-38175.7-73.9-178.2177.5-173.30113.6R401 Q402 R403 S408R401-K405 WeakPolarHBondContact O-CG 3.45Å; R401-K405 PolarHBondContact O-N 2.97Å; Q402-K405 PolarHBondContact O-N 3.41Å; R403-K405 PolarHBondContact O-N 3.45Å; K405-S408 PolarHBondContact O-OG 2.8Å
406H61.6Low72.9Confident106 Ų10690.5 Ų90.549%0.49144%0.437SS..Hα-helixtrans-71.6-33.5-179.3-78.612.2000112.8Q402 R403 S409 E410Q402-H406 PolarHBondContact O-N 2.88Å; R403-H406 PolarHBondContact O-N 2.94Å; H406-S409 PolarHBondContact O-N 3.41Å; H406-S409 PolarHBondContact O-OG 2.84Å; H406-E410 PolarHBondContact O-N 3.34Å
407H57.8Low71.6Confident80 Ų8096.1 Ų96.137%0.3746%0.464SS..Hα-helixtrans-70.3-37.1178.3-120.39.7000112.9R403 S409 E410R403-H407 PolarHBondContact O-N 2.95Å; H407-S409 PolarHBondContact O-N 2.93Å; H407-E410 IonicContact ND1-OE2 3.15Å; H407-E410 PolarHBondContact O-N 2.82Å
408S56.8Low70.1Confident56 Ų56100 Ų10039%0.39248%0.483SS..THydrogen-bonded Turntrans-66.3-16.8174.7360000114.3C404 K405C404-S408 PolarHBondContact O-OG 2.99Å; C404-S408 VanDerWaalsContact O-OG 3.04Å; K405-S408 PolarHBondContact O-OG 2.8Å
409S47.8Very low68.4Low74 Ų74102.6 Ų102.652%0.51748%0.48SS..THydrogen-bonded Turntrans-95.5-6.6175.452.30000114.4H406 H407H406-S409 PolarHBondContact O-N 3.41Å; H406-S409 PolarHBondContact O-OG 2.84Å; H407-S409 PolarHBondContact O-N 2.93Å
410E45.3Very low66.5Low148 Ų148106.1 Ų106.169%0.69250%0.498SS*.THydrogen-bonded Turntrans-99.6-11.4175.6-73178.9158.500112.5H406 H407H406-E410 PolarHBondContact O-N 3.34Å; H407-E410 IonicContact ND1-OE2 3.15Å; H407-E410 PolarHBondContact O-N 2.82Å
411E43Very low64.2Low165 Ų165114.9 Ų114.977%0.77154%0.539SS*.  trans-103.7-6.9178.4-70.6-177.3160.900114.2
412E34.7Very low61.8Low232 Ų232112.7 Ų112.7100%1.08454%0.541SS*.  trans-93.20165.8-77.3-174.8163.800110.7

Retrieved 412 of 412 residues in 346 ms (Link to these results)

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