A0A087XTH2_POEFO Loading...

Glutaredoxin-like protein

AlphaFold DB , UniProt , Accession A0A087XTH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 107 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
1M41.8Very low47.4Very low248 Ų248163.8 Ų163.8100%1.22287%0.866SS**  0103.50-50173.2168.800104.7
2S44.6Very low48.1Very low119 Ų119156.9 Ų156.983%0.83285%0.849SS**  cis-150.5141.746.3-149.30000109.6
3M39.6Very low48.7Very low182 Ų182157.2 Ų157.290%0.89785%0.849SS**  trans-89.1127.1172.1-64.3-78.4177.400107.5
4H42.6Very low49.2Very low182 Ų182159.2 Ų159.284%0.84385%0.85SS**  trans-116.2113.5154.545.6-130.6000109.8
5R46.5Very low49.8Very low220 Ų220158 Ų15883%0.8384%0.843SS**  trans-72.2134.3162-69.9170.5156.9-145.9-4.3107.8
6T48.8Very low49.8Very low142 Ų142155.8 Ų155.887%0.87184%0.842SS**  trans-141.7117.1139.1-51.10000109.1
7L54.5Low50Low153 Ų153156.5 Ų156.580%0.80183%0.83SS**  trans-70121.1176.7-65.3157.2000108.6G9L7-G9 PolarHBondContact O-N 3.15Å; L7-G9 VanDerWaalsContact O-N 3.15Å
8C45Very low50.4Low132 Ų132158.3 Ų158.389%0.89284%0.835SS**  trans-73.1102166.1-170.60000107.8
9G46.3Very low50.5Low64 Ų64156.8 Ų156.866%0.6682%0.821SS**  trans-69.2138.2-177.800000112.4L7L7-G9 PolarHBondContact O-N 3.15Å; L7-G9 VanDerWaalsContact O-N 3.15Å
10R61.3Low50.9Low243 Ų243153.8 Ų153.892%0.91781%0.814SS**  trans-86.4141.8160.5-66.2-179.8169.3-156.6-3.1108.9
11P51Low51.4Low117 Ų117150.5 Ų150.576%0.7680%0.803SS**  -127.2125.212520.2-2.2000109.1
12A55.5Low52.7Low81 Ų81146.1 Ų146.167%0.66977%0.773SS**  65.5102.184.800000112.8
13L55.2Low54.5Low161 Ų161144.2 Ų144.284%0.84376%0.76SS**  trans48.692.2145.3-64.7155.7000116.8
14Q56.8Low57Low185 Ų185139.3 Ų139.386%0.86474%0.737SS**  trans-108.886.3148.5-155.595.8-18.800107.5C16Q14-C16 PolarHBondContact O-N 3Å
15L57.3Low59.5Low141 Ų141131.1 Ų131.174%0.73870%0.699SS**  trans-50109.8159.2-162.380.2000105.7R17L15-R17 PolarHBondContact O-N 2.69Å
16C49.6Very low61.9Low123 Ų123122.4 Ų122.483%0.83167%0.671SS**  trans-62.983.7162.9-72.10000105.4Q14 M18Q14-C16 PolarHBondContact O-N 3Å; C16-M18 PolarHBondContact O-N 2.8Å
17R53.3Low64.2Low168 Ų168115.7 Ų115.763%0.63463%0.63SS**  trans-63.799.7168.9-168.8158.7170.4-153.93.4102.6L15 F19L15-R17 PolarHBondContact O-N 2.69Å; R17-F19 HydrophobicContact CB-CD2 3.54Å; R17-F19 HydrophobicContact CB-CE2 3.37Å; R17-F19 HydrophobicContact CB-CG 4.25Å; R17-F19 HydrophobicContact CB-CZ 3.99Å; R17-F19 VanDerWaalsContact CD-CE2 3.47Å; R17-F19 HydrophobicContact CG-CD1 3.78Å; R17-F19 HydrophobicContact CG-CD2 3.51Å; R17-F19 HydrophobicContact CG-CE1 3.7Å; R17-F19 HydrophobicContact CG-CE2 3.38Å; R17-F19 HydrophobicContact CG-CG 3.74Å; R17-F19 HydrophobicContact CG-CZ 3.51Å; R17-F19 VanDerWaalsContact NE-CZ 3.27Å; R17-F19 VanDerWaalsContact NH1-CE1 3.3Å; R17-F19 WeakPolarHBondContact O-CD2 3.16Å; R17-F19 PolarHBondContact O-N 2.84Å
18M57Low66.3Low188 Ų188109.1 Ų109.193%0.92660%0.596SS**  trans-65.273.8168.1-162.2176178.800104.1C16 S20C16-M18 PolarHBondContact O-N 2.8Å; M18-S20 PolarHBondContact O-N 2.71Å
19F52.2Low68.8Low131 Ų131102.8 Ų102.858%0.57555%0.553SS**  trans-69.787.6172.3-70.4-85.7000104.3R17 S21R17-F19 HydrophobicContact CB-CD2 3.54Å; R17-F19 HydrophobicContact CB-CE2 3.37Å; R17-F19 HydrophobicContact CB-CG 4.25Å; R17-F19 HydrophobicContact CB-CZ 3.99Å; R17-F19 VanDerWaalsContact CD-CE2 3.47Å; R17-F19 HydrophobicContact CG-CD1 3.78Å; R17-F19 HydrophobicContact CG-CD2 3.51Å; R17-F19 HydrophobicContact CG-CE1 3.7Å; R17-F19 HydrophobicContact CG-CE2 3.38Å; R17-F19 HydrophobicContact CG-CG 3.74Å; R17-F19 HydrophobicContact CG-CZ 3.51Å; R17-F19 VanDerWaalsContact NE-CZ 3.27Å; R17-F19 VanDerWaalsContact NH1-CE1 3.3Å; R17-F19 WeakPolarHBondContact O-CD2 3.16Å; R17-F19 PolarHBondContact O-N 2.84Å; F19-S21 PolarHBondContact O-N 2.8Å
20S59.9Low71.2Confident96 Ų96100 Ų10067%0.67152%0.523SS*.  trans-65.974.7150.2-160.10000105.5M18 R22M18-S20 PolarHBondContact O-N 2.71Å; S20-R22 PolarHBondContact O-N 3.03Å
21S60.3Low72.9Confident84 Ų8489 Ų8959%0.58748%0.483SS*.  trans-63.4108164.5520000104F19 S23F19-S21 PolarHBondContact O-N 2.8Å; S21-S23 PolarHBondContact O-N 2.76Å
22R68.6Low75Confident156 Ų15686.3 Ų86.359%0.58946%0.459SS*.  trans-62.479167.8-64.9-178175.1-177-3107.2S20 N106 M107S20-R22 PolarHBondContact O-N 3.03Å; R22-N106 HydrophobicContact CG-CB 4.29Å; R22-N106 VanDerWaalsContact CZ-O 3.25Å; R22-N106 PolarHBondContact NE-O 3.14Å; R22-N106 PolarHBondContact NH2-O 3.13Å; R22-M107 PolarHBondContact NH2-O 3.34Å
23S82.8Confident76.7Confident79 Ų7988.9 Ų88.955%0.55246%0.462SS*.PPolyproline II helixtrans-81.1133.8-179.354.30000108.3S21S21-S23 PolarHBondContact O-N 2.76Å
24L92.2Very high78.4Confident80 Ų8086.2 Ų86.242%0.41945%0.454SS..PPolyproline II helixtrans-57.2139.4170.7-67.3-178.8000109.5I53L24-I53 HydrophobicContact CB-CD1 4.39Å; L24-I53 HydrophobicContact CB-CG1 4.1Å
25P95.1Very high80Confident9 Ų978 Ų786%0.05842%0.417CS..PPolyproline II helixtrans-62.3151.4174.627.8-34.9000110.6R51 F52 I53 L80 N81 L99 I102P25-R51 WeakPolarHBondContact CD-O 3.38Å; P25-F52 HydrophobicContact CG-CB 4.18Å; P25-F52 CarbonylContact O-C 3.55Å; P25-F52 VanDerWaalsContact O-CA 3.24Å; P25-F52 WeakPolarHBondContact O-CA 3.26Å; P25-F52 VanDerWaalsContact O-CB 3.22Å; P25-F52 WeakPolarHBondContact O-CB 3.49Å; P25-I53 PolarHBondContact O-N 2.86Å; P25-L80 HydrophobicContact CB-CD1 3.9Å; P25-L80 HydrophobicContact CG-CD1 4.39Å; P25-N81 VanDerWaalsContact CA-OD1 3.22Å; P25-N81 WeakPolarHBondContact CA-OD1 3.43Å; P25-N81 WeakPolarHBondContact CB-OD1 3.44Å; P25-L99 HydrophobicContact CG-CD2 3.63Å; P25-I102 HydrophobicContact CB-CD1 3.98Å; P25-I102 HydrophobicContact CG-CD1 4.16Å; P25-I102 HydrophobicContact CG-CG2 4.32Å
26T96.5Very high81.5Confident38 Ų3876.1 Ų76.123%0.23341%0.413CS..EExtended strand (participates in β ladder)trans-96.2117.4178.3-60.10000109.6I53 Q55 L80 N81T26-I53 WeakPolarHBondContact CA-O 3.29Å; T26-Q55 HydrophobicContact CG2-CB 4.29Å; T26-Q55 VanDerWaalsContact CG2-CD 3.49Å; T26-Q55 HydrophobicContact CG2-CG 3.78Å; T26-L80 WeakPolarHBondContact O-CA 3.28Å; T26-N81 PolarHBondContact N-OD1 3.17Å; T26-N81 PolarHBondContact O-N 3.26Å
27L97.6Very high83.5Confident0 Ų074.4 Ų74.40%040%0.395CS..EExtended strand (participates in β ladder)trans-97.7111.6172.2-172.570.5000108.3L45 F52 I53 L54 Q55 F78 H79 L80 L85 L95L27-L45 HydrophobicContact CD2-CD1 3.81Å; L27-L45 HydrophobicContact CD2-CD2 3.72Å; L27-L45 HydrophobicContact CD2-CG 4.43Å; L27-F52 HydrophobicContact CB-CB 4.33Å; L27-F52 HydrophobicContact CB-CD2 3.68Å; L27-F52 HydrophobicContact CB-CE2 4.11Å; L27-F52 HydrophobicContact CB-CG 3.98Å; L27-F52 HydrophobicContact CD2-CD1 4.33Å; L27-F52 HydrophobicContact CD2-CD2 4.07Å; L27-F52 HydrophobicContact CD2-CE1 3.92Å; L27-F52 HydrophobicContact CD2-CE2 3.69Å; L27-F52 HydrophobicContact CD2-CG 4.4Å; L27-F52 HydrophobicContact CD2-CZ 3.62Å; L27-I53 PolarHBondContact N-O 2.71Å; L27-L54 HydrophobicContact CB-CD1 4.47Å; L27-L54 HydrophobicContact CD2-CD1 4.22Å; L27-L54 HydrophobicContact CG-CD1 4.41Å; L27-L54 WeakPolarHBondContact O-CA 3.41Å; L27-Q55 PolarHBondContact O-N 3.14Å; L27-F78 HydrophobicContact CD1-CB 4.19Å; L27-F78 HydrophobicContact CD1-CD1 4.44Å; L27-F78 HydrophobicContact CD2-CD1 4.36Å; L27-F78 HydrophobicContact CG-CD1 4.35Å; L27-H79 CarbonylContact C-O 3.52Å; L27-H79 WeakPolarHBondContact CA-O 3.48Å; L27-L80 HydrophobicContact CB-CD1 4.42Å; L27-L80 HydrophobicContact CD1-CB 4.49Å; L27-L80 HydrophobicContact CD1-CD1 4.09Å; L27-L85 HydrophobicContact CD1-CD2 3.94Å; L27-L95 HydrophobicContact CD1-CD1 4.44Å
28T98Very high85.4Confident15 Ų1566.4 Ų66.49%0.09237%0.365CS..EExtended strand (participates in β ladder)trans-96.4120.6178-50.60000110F30 Q55 V57 F78 H79T28-F30 HydrophobicContact CG2-CE1 4.35Å; T28-F30 HydrophobicContact CG2-CE2 4Å; T28-F30 HydrophobicContact CG2-CZ 3.88Å; T28-Q55 CarbonylContact C-O 3.54Å; T28-Q55 WeakPolarHBondContact CA-O 3.47Å; T28-Q55 HydrophobicContact CG2-CB 4.47Å; T28-V57 HydrophobicContact CG2-CG2 3.63Å; T28-F78 CarbonylContact O-C 3.6Å; T28-F78 VanDerWaalsContact O-CA 3.25Å; T28-F78 WeakPolarHBondContact O-CA 3.14Å; T28-H79 PolarHBondContact N-O 3.18Å; T28-H79 PolarHBondContact O-N 3.37Å
29L97.7Very high87.1Confident0 Ų061.4 Ų61.40%034%0.342CS..EExtended strand (participates in β ladder)trans-99.9116173.616755.6000109.8K42 L54 Q55 Q56 V57 P76 V77 F78L29-K42 HydrophobicContact CD2-CG 3.93Å; L29-L54 HydrophobicContact CB-CD1 4.26Å; L29-Q55 PolarHBondContact N-O 2.74Å; L29-Q56 HydrophobicContact CB-CG 4.45Å; L29-Q56 HydrophobicContact CD2-CG 4.46Å; L29-Q56 WeakPolarHBondContact O-CA 3.33Å; L29-V57 PolarHBondContact O-N 2.68Å; L29-P76 HydrophobicContact CD1-CB 3.56Å; L29-V77 WeakPolarHBondContact CA-O 3.46Å; L29-F78 HydrophobicContact CB-CD1 4.24Å; L29-F78 HydrophobicContact CB-CE1 4.1Å; L29-F78 HydrophobicContact CD1-CD1 4.19Å; L29-F78 HydrophobicContact CD1-CE1 3.61Å; L29-F78 HydrophobicContact CD1-CZ 3.85Å; L29-F78 HydrophobicContact CD2-CE1 4.37Å; L29-F78 HydrophobicContact CG-CE1 4.22Å
30F97.9Very high89.1Confident4 Ų460.5 Ų60.52%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-84.9119.5168.4-60.1-84.4000109.3T28 V57 I59 W67 Y71 I75 V77 H79T28-F30 HydrophobicContact CG2-CE1 4.35Å; T28-F30 HydrophobicContact CG2-CE2 4Å; T28-F30 HydrophobicContact CG2-CZ 3.88Å; F30-V57 WeakPolarHBondContact CA-O 3.37Å; F30-V57 HydrophobicContact CD1-CB 3.74Å; F30-V57 HydrophobicContact CD1-CG1 3.81Å; F30-V57 HydrophobicContact CD1-CG2 4.39Å; F30-V57 HydrophobicContact CE1-CB 3.95Å; F30-V57 HydrophobicContact CE1-CG1 3.93Å; F30-V57 HydrophobicContact CE1-CG2 4.12Å; F30-I59 HydrophobicContact CB-CG2 3.9Å; F30-I59 HydrophobicContact CD1-CG2 4Å; F30-I59 HydrophobicContact CG-CG2 4.44Å; F30-W67 HydrophobicContact CD1-CB 4.15Å; F30-W67 AromaticContact CD1-CD2 3.95Å; F30-W67 HydrophobicContact CD1-CD2 3.95Å; F30-W67 HydrophobicContact CD1-CE3 4.23Å; F30-W67 AromaticContact CD1-CG 3.92Å; F30-W67 HydrophobicContact CD1-CG 3.92Å; F30-W67 HydrophobicContact CE1-CB 4.37Å; F30-W67 AromaticContact CE1-CD1 3.92Å; F30-W67 AromaticContact CE1-CD2 3.3Å; F30-W67 HydrophobicContact CE1-CD2 3.3Å; F30-W67 AromaticContact CE1-CE2 3.42Å; F30-W67 VanDerWaalsContact CE1-CE2 3.42Å; F30-W67 AromaticContact CE1-CE3 3.65Å; F30-W67 HydrophobicContact CE1-CE3 3.65Å; F30-W67 AromaticContact CE1-CG 3.65Å; F30-W67 HydrophobicContact CE1-CG 3.65Å; F30-W67 HydrophobicContact CE1-CH2 4.15Å; F30-W67 AromaticContact CE1-CZ2 3.86Å; F30-W67 HydrophobicContact CE1-CZ2 3.86Å; F30-W67 HydrophobicContact CE1-CZ3 4.06Å; F30-W67 AromaticContact CE1-NE1 3.79Å; F30-W67 AromaticContact CZ-CD2 3.97Å; F30-W67 HydrophobicContact CZ-CD2 3.97Å; F30-W67 AromaticContact CZ-CE2 3.92Å; F30-W67 AromaticContact CZ-CE3 3.94Å; F30-W67 HydrophobicContact CZ-CE3 3.94Å; F30-W67 AromaticContact CZ-CH2 3.81Å; F30-W67 HydrophobicContact CZ-CH2 3.81Å; F30-W67 AromaticContact CZ-CZ2 3.85Å; F30-W67 HydrophobicContact CZ-CZ2 3.85Å; F30-W67 AromaticContact CZ-CZ3 3.86Å; F30-W67 HydrophobicContact CZ-CZ3 3.86Å; F30-Y71 HydrophobicContact CB-CD2 4.35Å; F30-Y71 HydrophobicContact CD1-CD2 4.32Å; F30-Y71 HydrophobicContact CD2-CD2 4.21Å; F30-Y71 HydrophobicContact CD2-CE2 4.07Å; F30-Y71 HydrophobicContact CE2-CE2 4.17Å; F30-Y71 HydrophobicContact CG-CD2 4.01Å; F30-Y71 HydrophobicContact CG-CE2 4.29Å; F30-Y71 HydrophobicContact CZ-CE2 4.46Å; F30-I75 HydrophobicContact CB-CG2 4.4Å; F30-I75 WeakPolarHBondContact O-CG2 3.49Å; F30-V77 HydrophobicContact CB-CB 4.18Å; F30-V77 HydrophobicContact CD2-CB 4.07Å; F30-V77 HydrophobicContact CD2-CG1 4.17Å; F30-V77 WeakPolarHBondContact CD2-O 3.4Å; F30-V77 PolarHBondContact N-O 3.29Å; F30-V77 PolarHBondContact O-N 3.15Å; F30-H79 HydrophobicContact CE2-CB 4.24Å; F30-H79 AromaticContact CE2-CD2 3.56Å; F30-H79 AromaticContact CE2-CE1 3.65Å; F30-H79 AromaticContact CE2-CG 3.62Å; F30-H79 AromaticContact CE2-ND1 3.69Å; F30-H79 AromaticContact CE2-NE2 3.58Å; F30-H79 AromaticContact CZ-CE1 3.91Å; F30-H79 AromaticContact CZ-ND1 3.95Å
31T96.9Very high90.7Very high14 Ų1456 Ų569%0.08631%0.308CS..EExtended strand (participates in β ladder)trans-138.5169-171.6-173.50000110.9C38 V57 D58 I59T31-C38 VanDerWaalsContact OG1-CB 3.24Å; T31-C38 WeakPolarHBondContact OG1-CB 3.48Å; T31-C38 PolarHBondContact OG1-SG 3.36Å; T31-V57 PolarHBondContact N-O 3.06Å; T31-D58 WeakPolarHBondContact O-CA 3.34Å; T31-I59 WeakPolarHBondContact O-CG1 3.43Å; T31-I59 PolarHBondContact O-N 2.95Å
32K95.1Very high92.3Very high59 Ų5955 Ų5526%0.25729%0.293SS..  trans-142.8164.8165.477.1-170.8179.6-165.80110.4P34 C35 I59 S60 W68 I75K32-P34 CarbonylContact O-C 3.42Å; K32-C35 HydrophobicContact CG-CB 4.27Å; K32-C35 WeakPolarHBondContact O-CB 3.22Å; K32-C35 PolarHBondContact O-N 3.08Å; K32-I59 HydrophobicContact CB-CG1 4.17Å; K32-S60 WeakPolarHBondContact CB-OG 3.42Å; K32-W68 HydrophobicContact CD-CZ3 4.15Å; K32-I75 HydrophobicContact CB-CD1 4.03Å; K32-I75 HydrophobicContact CD-CD1 3.45Å; K32-I75 VanDerWaalsContact CD-CD1 3.45Å; K32-I75 HydrophobicContact CG-CD1 3.39Å
33D91.1Very high93.5Very high136 Ų13654.4 Ų54.473%0.72730%0.297SS*.SBendtrans-107.9134.2168.4-170.7-100.1000111.2
34P90.4Very high94Very high105 Ų10554.5 Ų54.568%0.68229%0.291SS*.SBendcis-76.9144.7-11.530.9-34.1000112.4K32K32-P34 CarbonylContact O-C 3.42Å
35C90.3Very high94.1Very high11 Ų1150.9 Ų50.97%0.07427%0.272CS..  trans-147.991.1174.9-179.10000112.2K32 L37 C38 D39K32-C35 HydrophobicContact CG-CB 4.27Å; K32-C35 WeakPolarHBondContact O-CB 3.22Å; K32-C35 PolarHBondContact O-N 3.08Å; C35-L37 VanDerWaalsContact C-N 3.3Å; C35-L37 PolarHBondContact O-N 3.29Å; C35-C38 HydrophobicContact CB-CB 3.62Å; C35-C38 WeakPolarHBondContact CB-SG 3.41Å; C35-C38 WeakPolarHBondContact O-CB 3.49Å; C35-C38 PolarHBondContact O-N 2.69Å; C35-C38 WeakPolarHBondContact SG-CB 3.22Å; C35-C38 PolarHBondContact SG-N 3.34Å; C35-C38 CovalentContact SG-SG 2.05Å; C35-C38 PolarHBondContact SG-SG 3.07Å; C35-D39 PolarHBondContact O-N 3.36Å
36P89.9Confident94.1Very high102 Ų10256 Ų5666%0.66230%0.295SS*.Hα-helixtrans-61.2-36.2-178.623.4-33.4000113.2C38 D39 E40P36-C38 PolarHBondContact O-N 2.99Å; P36-D39 PolarHBondContact O-N 2.94Å; P36-D39 VanDerWaalsContact O-N 3.16Å; P36-E40 PolarHBondContact O-N 3.46Å; P36-E40 VanDerWaalsContact O-N 3.13Å
37L91.8Very high94Very high88 Ų8858.3 Ų58.346%0.46131%0.311SS..Hα-helixtrans-62.8-31.6175.5-63.5177.4000112.4C35 D39 A41 P76C35-L37 VanDerWaalsContact C-N 3.3Å; C35-L37 PolarHBondContact O-N 3.29Å; L37-D39 VanDerWaalsContact C-N 3.34Å; L37-A41 VanDerWaalsContact O-CB 3.26Å; L37-A41 WeakPolarHBondContact O-CB 3.04Å; L37-A41 PolarHBondContact O-N 3.05Å; L37-A41 VanDerWaalsContact O-N 3.08Å; L37-P76 HydrophobicContact CB-CG 4.44Å
38C92.1Very high93.9Very high0 Ų059.6 Ų59.60%032%0.317CS..Hα-helixtrans-74-30.2178.8-55.90000111.3T31 C35 P36 A41 K42 P76T31-C38 VanDerWaalsContact OG1-CB 3.24Å; T31-C38 WeakPolarHBondContact OG1-CB 3.48Å; T31-C38 PolarHBondContact OG1-SG 3.36Å; C35-C38 HydrophobicContact CB-CB 3.62Å; C35-C38 WeakPolarHBondContact CB-SG 3.41Å; C35-C38 WeakPolarHBondContact O-CB 3.49Å; C35-C38 PolarHBondContact O-N 2.69Å; C35-C38 WeakPolarHBondContact SG-CB 3.22Å; C35-C38 PolarHBondContact SG-N 3.34Å; C35-C38 CovalentContact SG-SG 2.05Å; C35-C38 PolarHBondContact SG-SG 3.07Å; P36-C38 PolarHBondContact O-N 2.99Å; C38-A41 WeakPolarHBondContact O-CB 3.37Å; C38-K42 VanDerWaalsContact O-CG 3.3Å; C38-K42 WeakPolarHBondContact O-CG 3.4Å; C38-K42 PolarHBondContact O-N 2.97Å; C38-P76 HydrophobicContact CB-CB 4.5Å
39D92.8Very high93.6Very high83 Ų8364.8 Ų64.844%0.44434%0.338SS..Hα-helixtrans-74.6-45.3177.2-63.4-36.3000111.3C35 P36 L37 A41 K42 E43C35-D39 PolarHBondContact O-N 3.36Å; P36-D39 PolarHBondContact O-N 2.94Å; P36-D39 VanDerWaalsContact O-N 3.16Å; L37-D39 VanDerWaalsContact C-N 3.34Å; D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 3.44Å; D39-K42 WeakPolarHBondContact O-CB 3.35Å; D39-K42 PolarHBondContact O-N 2.92Å; D39-K42 IonicContact OD1-NZ 3.76Å; D39-K42 PolarHBondContact OD1-NZ 3.23Å; D39-K42 VanDerWaalsContact OD1-NZ 3.08Å; D39-E43 PolarHBondContact O-N 3.44Å
40E93.7Very high93.4Very high111 Ų11171.4 Ų71.452%0.51937%0.369SS..Hα-helixtrans-56.8-44.7171.8-176.8-179.1-179.300111.4P36 K42 E43 L44P36-E40 PolarHBondContact O-N 3.46Å; P36-E40 VanDerWaalsContact O-N 3.13Å; E40-K42 VanDerWaalsContact C-N 3.3Å; E40-K42 PolarHBondContact O-N 3.36Å; E40-E43 WeakPolarHBondContact O-CB 3.24Å; E40-E43 PolarHBondContact O-N 3.25Å; E40-E43 VanDerWaalsContact O-N 3.14Å; E40-L44 WeakPolarHBondContact O-CG 3.31Å; E40-L44 PolarHBondContact O-N 3.03Å; E40-L44 VanDerWaalsContact O-N 3.08Å
41A93.9Very high93.3Very high2 Ų272.6 Ų72.62%0.01737%0.373CS..Hα-helixtrans-55-42.1174.200000113.3L37 C38 D39 E43 L44 L45 P76 F78 V90L37-A41 VanDerWaalsContact O-CB 3.26Å; L37-A41 WeakPolarHBondContact O-CB 3.04Å; L37-A41 PolarHBondContact O-N 3.05Å; L37-A41 VanDerWaalsContact O-N 3.08Å; C38-A41 WeakPolarHBondContact O-CB 3.37Å; D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 3.44Å; A41-E43 VanDerWaalsContact C-N 3.32Å; A41-E43 PolarHBondContact O-N 3.33Å; A41-L44 PolarHBondContact O-N 2.98Å; A41-L45 WeakPolarHBondContact O-CG 3.49Å; A41-L45 PolarHBondContact O-N 2.82Å; A41-P76 HydrophobicContact CB-CB 4.31Å; A41-P76 HydrophobicContact CB-CG 4Å; A41-F78 HydrophobicContact CB-CZ 3.75Å; A41-V90 HydrophobicContact CB-CG2 3.99Å
42K93.3Very high93.2Very high63 Ų6372.3 Ų72.327%0.27437%0.37SS..Hα-helixtrans-66.1-36.9179-71163.6-1651640111.4L29 C38 D39 E40 L45 Q46L29-K42 HydrophobicContact CD2-CG 3.93Å; C38-K42 VanDerWaalsContact O-CG 3.3Å; C38-K42 WeakPolarHBondContact O-CG 3.4Å; C38-K42 PolarHBondContact O-N 2.97Å; D39-K42 WeakPolarHBondContact O-CB 3.35Å; D39-K42 PolarHBondContact O-N 2.92Å; D39-K42 IonicContact OD1-NZ 3.76Å; D39-K42 PolarHBondContact OD1-NZ 3.23Å; D39-K42 VanDerWaalsContact OD1-NZ 3.08Å; E40-K42 VanDerWaalsContact C-N 3.3Å; E40-K42 PolarHBondContact O-N 3.36Å; K42-L45 PolarHBondContact O-N 2.85Å; K42-Q46 PolarHBondContact O-N 2.89Å
43E94.4Very high93.2Very high144 Ų14473.6 Ų73.667%0.67338%0.379SS*.Hα-helixtrans-63.6-45.3176.3-65.3-172.4125.300111.3D39 E40 A41 L45 Q46D39-E43 PolarHBondContact O-N 3.44Å; E40-E43 WeakPolarHBondContact O-CB 3.24Å; E40-E43 PolarHBondContact O-N 3.25Å; E40-E43 VanDerWaalsContact O-N 3.14Å; A41-E43 VanDerWaalsContact C-N 3.32Å; A41-E43 PolarHBondContact O-N 3.33Å; E43-L45 PolarHBondContact O-N 2.89Å; E43-Q46 VanDerWaalsContact O-CB 3.32Å; E43-Q46 WeakPolarHBondContact O-CB 3.27Å; E43-Q46 WeakPolarHBondContact O-CG 3.32Å; E43-Q46 PolarHBondContact O-N 3.45Å; E43-Q46 VanDerWaalsContact O-N 3.08Å
44L93.9Very high93.4Very high81 Ų8169.7 Ų69.742%0.42436%0.358SS..Hα-helixtrans-62.6-24.7177.1-66.1175.1000113.3E40 A41 P47 V90E40-L44 WeakPolarHBondContact O-CG 3.31Å; E40-L44 PolarHBondContact O-N 3.03Å; E40-L44 VanDerWaalsContact O-N 3.08Å; A41-L44 PolarHBondContact O-N 2.98Å; L44-P47 WeakPolarHBondContact O-CD 3.34Å; L44-V90 HydrophobicContact CB-CB 3.92Å; L44-V90 HydrophobicContact CB-CG1 4.14Å; L44-V90 HydrophobicContact CB-CG2 4.18Å; L44-V90 HydrophobicContact CD1-CB 4.01Å
45L94.4Very high93.8Very high4 Ų469.4 Ų69.42%0.02135%0.348CS..Hα-helixtrans-82.6-15.4176.9-73.1179.1000114.2L27 A41 K42 E43 F48 K49 F52 L54 F78 V90 L95L27-L45 HydrophobicContact CD2-CD1 3.81Å; L27-L45 HydrophobicContact CD2-CD2 3.72Å; L27-L45 HydrophobicContact CD2-CG 4.43Å; A41-L45 WeakPolarHBondContact O-CG 3.49Å; A41-L45 PolarHBondContact O-N 2.82Å; K42-L45 PolarHBondContact O-N 2.85Å; E43-L45 PolarHBondContact O-N 2.89Å; L45-F48 PolarHBondContact O-N 3.29Å; L45-K49 PolarHBondContact O-N 3.37Å; L45-F52 HydrophobicContact CB-CZ 4.17Å; L45-F52 HydrophobicContact CD2-CE1 4.37Å; L45-F52 HydrophobicContact CD2-CZ 4.01Å; L45-F52 HydrophobicContact CG-CZ 4.46Å; L45-L54 HydrophobicContact CD1-CD1 4.09Å; L45-F78 HydrophobicContact CD1-CD1 4.37Å; L45-F78 HydrophobicContact CD1-CE1 3.67Å; L45-F78 HydrophobicContact CD1-CZ 4.44Å; L45-V90 HydrophobicContact CD2-CG1 3.89Å; L45-V90 HydrophobicContact CD2-CG2 4.23Å; L45-V90 HydrophobicContact CG-CG1 4.46Å; L45-V90 HydrophobicContact CG-CG2 4.09Å; L45-L95 HydrophobicContact CD2-CD2 3.4Å
46Q94.3Very high94Very high116 Ų11674 Ų7454%0.54237%0.368SS..G310 helixtrans-53.4-42.4-176.4-69.5-82.356.300114.1K42 E43 F48 K49K42-Q46 PolarHBondContact O-N 2.89Å; E43-Q46 VanDerWaalsContact O-CB 3.32Å; E43-Q46 WeakPolarHBondContact O-CB 3.27Å; E43-Q46 WeakPolarHBondContact O-CG 3.32Å; E43-Q46 PolarHBondContact O-N 3.45Å; E43-Q46 VanDerWaalsContact O-N 3.08Å; Q46-F48 PolarHBondContact O-N 2.79Å; Q46-K49 WeakPolarHBondContact O-CB 3.26Å; Q46-K49 PolarHBondContact O-N 2.85Å
47P94.9Very high94.4Very high86 Ų8670.5 Ų70.556%0.55835%0.345SS*.G310 helixtrans-61.5-28.6178.7-22.634.7000113.4L44 H50L44-P47 WeakPolarHBondContact O-CD 3.34Å; P47-H50 PolarHBondContact O-CE1 3.46Å; P47-H50 PolarHBondContact O-ND1 3.29Å
48F94.2Very high94.6Very high28 Ų2868.8 Ų68.812%0.12334%0.336CS..G310 helixtrans-98.7-5.8-173.5-57.3-78.6000113.6L45 Q46 H50 R51 F52 A92 L95 D96 L99L45-F48 PolarHBondContact O-N 3.29Å; Q46-F48 PolarHBondContact O-N 2.79Å; F48-H50 PolarHBondContact O-N 2.78Å; F48-R51 WeakPolarHBondContact O-CB 3.39Å; F48-R51 PolarHBondContact O-N 2.97Å; F48-F52 HydrophobicContact CB-CD1 4.2Å; F48-F52 HydrophobicContact CB-CE1 3.41Å; F48-F52 VanDerWaalsContact CB-CE1 3.41Å; F48-F52 HydrophobicContact CB-CZ 4.2Å; F48-F52 WeakPolarHBondContact O-CD1 3.37Å; F48-F52 WeakPolarHBondContact O-CE1 3.42Å; F48-A92 HydrophobicContact CE2-CB 3.93Å; F48-A92 HydrophobicContact CZ-CB 4.05Å; F48-L95 HydrophobicContact CB-CD2 4.33Å; F48-L95 HydrophobicContact CD2-CD2 4.06Å; F48-L95 HydrophobicContact CG-CD2 4.15Å; F48-D96 HydrophobicContact CE1-CB 3.79Å; F48-D96 HydrophobicContact CZ-CB 4.32Å; F48-L99 HydrophobicContact CB-CD1 4.28Å; F48-L99 HydrophobicContact CD1-CD1 4.14Å
49K92.6Very high94.9Very high123 Ų12368.9 Ų68.954%0.53534%0.337SS..THydrogen-bonded Turntrans-55.6-24.9-171.5-172176-179.1178.40114.9L45 Q46 R51 F52L45-K49 PolarHBondContact O-N 3.37Å; Q46-K49 WeakPolarHBondContact O-CB 3.26Å; Q46-K49 PolarHBondContact O-N 2.85Å; K49-R51 VanDerWaalsContact C-N 3.32Å; K49-F52 VanDerWaalsContact O-O 3.06Å
50H93.7Very high95Very high139 Ų13967.7 Ų67.764%0.64434%0.335SS*.THydrogen-bonded Turntrans-80.9-10.917865.8-81.4000113.7P47 F48P47-H50 PolarHBondContact O-CE1 3.46Å; P47-H50 PolarHBondContact O-ND1 3.29Å; F48-H50 PolarHBondContact O-N 2.78Å
51R94.6Very high95.2Very high30 Ų3066 Ų6611%0.11333%0.329CS..SBendtrans-103.2-3.4-175.2-58.9179.368.6-166.7-0.1113.5P25 F48 K49 D96 L99 E103P25-R51 WeakPolarHBondContact CD-O 3.38Å; F48-R51 WeakPolarHBondContact O-CB 3.39Å; F48-R51 PolarHBondContact O-N 2.97Å; K49-R51 VanDerWaalsContact C-N 3.32Å; R51-D96 IonicContact CZ-OD2 3.59Å; R51-D96 IonicContact NH1-OD2 2.71Å; R51-D96 PolarHBondContact NH1-OD2 3.25Å; R51-L99 HydrophobicContact CB-CD1 4.04Å; R51-L99 HydrophobicContact CB-CD2 4.49Å; R51-E103 IonicContact CZ-OE1 3.83Å; R51-E103 IonicContact CZ-OE2 3.34Å; R51-E103 IonicContact NE-OE1 3.3Å; R51-E103 PolarHBondContact NE-OE1 3.08Å; R51-E103 IonicContact NE-OE2 2.74Å; R51-E103 IonicContact NH2-OE1 2.68Å; R51-E103 PolarHBondContact NH2-OE1 3.29Å; R51-E103 VanDerWaalsContact NH2-OE1 3.14Å; R51-E103 IonicContact NH2-OE2 3.14Å; R51-E103 PolarHBondContact NH2-OE2 3.32Å
52F95.1Very high95.2Very high7 Ų771.1 Ų71.13%0.03136%0.362CS..SBendtrans-150.3166.1176.758-105.6000111.4P25 L27 L45 F48 K49 L54 L95 L99P25-F52 HydrophobicContact CG-CB 4.18Å; P25-F52 CarbonylContact O-C 3.55Å; P25-F52 VanDerWaalsContact O-CA 3.24Å; P25-F52 WeakPolarHBondContact O-CA 3.26Å; P25-F52 VanDerWaalsContact O-CB 3.22Å; P25-F52 WeakPolarHBondContact O-CB 3.49Å; L27-F52 HydrophobicContact CB-CB 4.33Å; L27-F52 HydrophobicContact CB-CD2 3.68Å; L27-F52 HydrophobicContact CB-CE2 4.11Å; L27-F52 HydrophobicContact CB-CG 3.98Å; L27-F52 HydrophobicContact CD2-CD1 4.33Å; L27-F52 HydrophobicContact CD2-CD2 4.07Å; L27-F52 HydrophobicContact CD2-CE1 3.92Å; L27-F52 HydrophobicContact CD2-CE2 3.69Å; L27-F52 HydrophobicContact CD2-CG 4.4Å; L27-F52 HydrophobicContact CD2-CZ 3.62Å; L45-F52 HydrophobicContact CB-CZ 4.17Å; L45-F52 HydrophobicContact CD2-CE1 4.37Å; L45-F52 HydrophobicContact CD2-CZ 4.01Å; L45-F52 HydrophobicContact CG-CZ 4.46Å; F48-F52 HydrophobicContact CB-CD1 4.2Å; F48-F52 HydrophobicContact CB-CE1 3.41Å; F48-F52 VanDerWaalsContact CB-CE1 3.41Å; F48-F52 HydrophobicContact CB-CZ 4.2Å; F48-F52 WeakPolarHBondContact O-CD1 3.37Å; F48-F52 WeakPolarHBondContact O-CE1 3.42Å; K49-F52 VanDerWaalsContact O-O 3.06Å; F52-L54 HydrophobicContact CD2-CB 4.29Å; F52-L54 HydrophobicContact CE2-CB 3.96Å; F52-L54 HydrophobicContact CE2-CD1 4.14Å; F52-L95 HydrophobicContact CE1-CD2 4.21Å; F52-L99 HydrophobicContact CB-CD2 4.36Å; F52-L99 HydrophobicContact CD1-CD1 4.05Å; F52-L99 HydrophobicContact CD1-CD2 4.27Å
53I95.8Very high95.4Very high86 Ų8675.9 Ų75.944%0.44139%0.385SS..EExtended strand (participates in β ladder)trans-96.5118168.4-61.3167.3000107.7L24 P25 T26 L27L24-I53 HydrophobicContact CB-CD1 4.39Å; L24-I53 HydrophobicContact CB-CG1 4.1Å; P25-I53 PolarHBondContact O-N 2.86Å; T26-I53 WeakPolarHBondContact CA-O 3.29Å; L27-I53 PolarHBondContact N-O 2.71Å
54L96.1Very high95.5Very high55 Ų5570.7 Ų70.729%0.28836%0.362SS..EExtended strand (participates in β ladder)trans-82.5118.2176.2-171.462.7000109.8L27 L29 L45 F52L27-L54 HydrophobicContact CB-CD1 4.47Å; L27-L54 HydrophobicContact CD2-CD1 4.22Å; L27-L54 HydrophobicContact CG-CD1 4.41Å; L27-L54 WeakPolarHBondContact O-CA 3.41Å; L29-L54 HydrophobicContact CB-CD1 4.26Å; L45-L54 HydrophobicContact CD1-CD1 4.09Å; F52-L54 HydrophobicContact CD2-CB 4.29Å; F52-L54 HydrophobicContact CE2-CB 3.96Å; F52-L54 HydrophobicContact CE2-CD1 4.14Å
55Q96.9Very high95.6Very high98 Ų9875.3 Ų75.346%0.45837%0.374SS..EExtended strand (participates in β ladder)trans-106.3141.3167.8-72-172.1-3200109.4T26 L27 T28 L29T26-Q55 HydrophobicContact CG2-CB 4.29Å; T26-Q55 VanDerWaalsContact CG2-CD 3.49Å; T26-Q55 HydrophobicContact CG2-CG 3.78Å; L27-Q55 PolarHBondContact O-N 3.14Å; T28-Q55 CarbonylContact C-O 3.54Å; T28-Q55 WeakPolarHBondContact CA-O 3.47Å; T28-Q55 HydrophobicContact CG2-CB 4.47Å; L29-Q55 PolarHBondContact N-O 2.74Å
56Q96.1Very high95.7Very high108 Ų10881.4 Ų81.451%0.50540%0.402SS..EExtended strand (participates in β ladder)trans-117.1134.1176.8-69.4-179.983.500109.1L29L29-Q56 HydrophobicContact CB-CG 4.45Å; L29-Q56 HydrophobicContact CD2-CG 4.46Å; L29-Q56 WeakPolarHBondContact O-CA 3.33Å
57V97.3Very high95.9Very high29 Ų2978.5 Ų78.518%0.17639%0.386CS..EExtended strand (participates in β ladder)trans-120.4111.6176177.30000107.3T28 L29 F30 T31 I59 N64T28-V57 HydrophobicContact CG2-CG2 3.63Å; L29-V57 PolarHBondContact O-N 2.68Å; F30-V57 WeakPolarHBondContact CA-O 3.37Å; F30-V57 HydrophobicContact CD1-CB 3.74Å; F30-V57 HydrophobicContact CD1-CG1 3.81Å; F30-V57 HydrophobicContact CD1-CG2 4.39Å; F30-V57 HydrophobicContact CE1-CB 3.95Å; F30-V57 HydrophobicContact CE1-CG1 3.93Å; F30-V57 HydrophobicContact CE1-CG2 4.12Å; T31-V57 PolarHBondContact N-O 3.06Å; V57-I59 PolarHBondContact O-N 3.4Å; V57-N64 HydrophobicContact CG1-CB 4.42Å
58D97Very high95.9Very high52 Ų5278.7 Ų78.728%0.27838%0.376SS..EExtended strand (participates in β ladder)trans-76.7108.7171.4-175.7-2.3000109.3T31 S60 L61 N64T31-D58 WeakPolarHBondContact O-CA 3.34Å; D58-S60 PolarHBondContact O-N 3.37Å; D58-S60 VanDerWaalsContact OD1-CB 3.29Å; D58-S60 WeakPolarHBondContact OD1-CB 3.42Å; D58-S60 PolarHBondContact OD1-N 3.5Å; D58-S60 PolarHBondContact OD1-OG 3.38Å; D58-L61 HydrophobicContact CB-CD1 4.1Å; D58-L61 HydrophobicContact CB-CG 4.04Å; D58-L61 PolarHBondContact O-N 2.92Å; D58-N64 PolarHBondContact O-ND2 2.94Å
59I97.1Very high96.1Very high1 Ų181.9 Ų81.91%0.00540%0.395CS..THydrogen-bonded Turntrans-72.6-13.1-177.965.3161.4000112.7F30 T31 K32 V57 L61 W67 W68 I75F30-I59 HydrophobicContact CB-CG2 3.9Å; F30-I59 HydrophobicContact CD1-CG2 4Å; F30-I59 HydrophobicContact CG-CG2 4.44Å; T31-I59 WeakPolarHBondContact O-CG1 3.43Å; T31-I59 PolarHBondContact O-N 2.95Å; K32-I59 HydrophobicContact CB-CG1 4.17Å; V57-I59 PolarHBondContact O-N 3.4Å; I59-L61 VanDerWaalsContact C-N 3.28Å; I59-W67 HydrophobicContact CB-CB 4.25Å; I59-W67 HydrophobicContact CG2-CB 3.63Å; I59-W68 HydrophobicContact CD1-CE3 4Å; I59-W68 HydrophobicContact CG1-CE3 4.02Å; I59-W68 WeakPolarHBondContact O-CB 3.45Å; I59-I75 HydrophobicContact CD1-CD1 4.32Å; I59-I75 HydrophobicContact CD1-CG2 3.59Å; I59-I75 HydrophobicContact CG1-CG2 4.38Å
60S95.7Very high96.2Very high58 Ų5881.8 Ų81.841%0.40639%0.394SS..THydrogen-bonded Turntrans-75.8-17.1177.2-61.50000113.2K32 D58K32-S60 WeakPolarHBondContact CB-OG 3.42Å; D58-S60 PolarHBondContact O-N 3.37Å; D58-S60 VanDerWaalsContact OD1-CB 3.29Å; D58-S60 WeakPolarHBondContact OD1-CB 3.42Å; D58-S60 PolarHBondContact OD1-N 3.5Å; D58-S60 PolarHBondContact OD1-OG 3.38Å
61L96.8Very high96.4Very high75 Ų7575.9 Ų75.939%0.39337%0.366SS..SBendtrans-68.6140.9179.1-63.5177.7000110.9D58 I59 E63 N64D58-L61 HydrophobicContact CB-CD1 4.1Å; D58-L61 HydrophobicContact CB-CG 4.04Å; D58-L61 PolarHBondContact O-N 2.92Å; I59-L61 VanDerWaalsContact C-N 3.28Å; L61-E63 PolarHBondContact O-N 2.91Å; L61-E63 VanDerWaalsContact O-N 3.17Å; L61-N64 PolarHBondContact O-N 3.08Å
62P95.8Very high96.3Very high111 Ų11177.3 Ų77.372%0.72137%0.373SS*.G310 helixtrans-60.1-30.5-178.423.8-33.6000112.8N64 R65P62-N64 PolarHBondContact O-N 2.73Å; P62-R65 PolarHBondContact O-N 3.28Å
63E96.9Very high96.3Very high163 Ų16386.9 Ų86.976%0.76241%0.409SS*.G310 helixtrans-63.9-25.8175.8-58.1161.7-10900112.5L61L61-E63 PolarHBondContact O-N 2.91Å; L61-E63 VanDerWaalsContact O-N 3.17Å
64N96.8Very high96.2Very high34 Ų3484.7 Ų84.718%0.18240%0.398CS..G310 helixtrans-10420.1-175.8-68.5-36.5000112.9V57 D58 L61 P62 Q66 W67 W68V57-N64 HydrophobicContact CG1-CB 4.42Å; D58-N64 PolarHBondContact O-ND2 2.94Å; L61-N64 PolarHBondContact O-N 3.08Å; P62-N64 PolarHBondContact O-N 2.73Å; N64-Q66 PolarHBondContact O-N 3.33Å; N64-Q66 VanDerWaalsContact O-N 3.07Å; N64-W67 WeakPolarHBondContact O-CA 3.49Å; N64-W67 WeakPolarHBondContact O-CB 3.34Å; N64-W67 PolarHBondContact O-N 3.19Å; N64-W68 PolarHBondContact O-N 2.85Å; N64-W68 VanDerWaalsContact O-N 3.11Å
65R95.6Very high96Very high178 Ų17882.7 Ų82.767%0.67239%0.388SS*.Hα-helixtrans-51.6-36.8-178.1-172.9175-175.6171.24.5113.5P62 W67 W68 D69P62-R65 PolarHBondContact O-N 3.28Å; R65-W67 PolarHBondContact O-N 2.84Å; R65-W68 WeakPolarHBondContact O-CB 3.25Å; R65-W68 PolarHBondContact O-N 2.79Å; R65-D69 PolarHBondContact O-N 2.81Å
66Q97.1Very high95.9Very high132 Ų13278 Ų7862%0.61737%0.366SS*.Hα-helixtrans-57.2-36.6174.667-179.225.100113.1N64 K70N64-Q66 PolarHBondContact O-N 3.33Å; N64-Q66 VanDerWaalsContact O-N 3.07Å; Q66-K70 WeakPolarHBondContact O-CB 3.41Å; Q66-K70 PolarHBondContact O-N 3.07Å
67W97.3Very high96Very high55 Ų5572.9 Ų72.921%0.20834%0.342CS..Hα-helixtrans-79.9-35.3178.5-60.8122.8000111.4F30 I59 N64 R65 K70 Y71 H79F30-W67 HydrophobicContact CD1-CB 4.15Å; F30-W67 AromaticContact CD1-CD2 3.95Å; F30-W67 HydrophobicContact CD1-CD2 3.95Å; F30-W67 HydrophobicContact CD1-CE3 4.23Å; F30-W67 AromaticContact CD1-CG 3.92Å; F30-W67 HydrophobicContact CD1-CG 3.92Å; F30-W67 HydrophobicContact CE1-CB 4.37Å; F30-W67 AromaticContact CE1-CD1 3.92Å; F30-W67 AromaticContact CE1-CD2 3.3Å; F30-W67 HydrophobicContact CE1-CD2 3.3Å; F30-W67 AromaticContact CE1-CE2 3.42Å; F30-W67 VanDerWaalsContact CE1-CE2 3.42Å; F30-W67 AromaticContact CE1-CE3 3.65Å; F30-W67 HydrophobicContact CE1-CE3 3.65Å; F30-W67 AromaticContact CE1-CG 3.65Å; F30-W67 HydrophobicContact CE1-CG 3.65Å; F30-W67 HydrophobicContact CE1-CH2 4.15Å; F30-W67 AromaticContact CE1-CZ2 3.86Å; F30-W67 HydrophobicContact CE1-CZ2 3.86Å; F30-W67 HydrophobicContact CE1-CZ3 4.06Å; F30-W67 AromaticContact CE1-NE1 3.79Å; F30-W67 AromaticContact CZ-CD2 3.97Å; F30-W67 HydrophobicContact CZ-CD2 3.97Å; F30-W67 AromaticContact CZ-CE2 3.92Å; F30-W67 AromaticContact CZ-CE3 3.94Å; F30-W67 HydrophobicContact CZ-CE3 3.94Å; F30-W67 AromaticContact CZ-CH2 3.81Å; F30-W67 HydrophobicContact CZ-CH2 3.81Å; F30-W67 AromaticContact CZ-CZ2 3.85Å; F30-W67 HydrophobicContact CZ-CZ2 3.85Å; F30-W67 AromaticContact CZ-CZ3 3.86Å; F30-W67 HydrophobicContact CZ-CZ3 3.86Å; I59-W67 HydrophobicContact CB-CB 4.25Å; I59-W67 HydrophobicContact CG2-CB 3.63Å; N64-W67 WeakPolarHBondContact O-CA 3.49Å; N64-W67 WeakPolarHBondContact O-CB 3.34Å; N64-W67 PolarHBondContact O-N 3.19Å; R65-W67 PolarHBondContact O-N 2.84Å; W67-K70 HydrophobicContact CE3-CD 4.31Å; W67-K70 HydrophobicContact CZ3-CD 4.21Å; W67-K70 PolarHBondContact O-N 3.37Å; W67-Y71 AromaticContact CE3-CD2 3.79Å; W67-Y71 HydrophobicContact CE3-CD2 3.79Å; W67-Y71 AromaticContact CE3-CE2 3.4Å; W67-Y71 HydrophobicContact CE3-CE2 3.4Å; W67-Y71 VanDerWaalsContact CE3-CE2 3.4Å; W67-Y71 HydrophobicContact CZ3-CD2 4.39Å; W67-Y71 AromaticContact CZ3-CE2 3.55Å; W67-Y71 HydrophobicContact CZ3-CE2 3.55Å; W67-Y71 WeakPolarHBondContact O-CB 3.39Å; W67-Y71 PolarHBondContact O-N 3.2Å; W67-H79 AromaticContact CH2-CE1 3.87Å; W67-H79 AromaticContact CZ3-CE1 3.8Å
68W96.4Very high96Very high91 Ų9171.5 Ų71.535%0.34533%0.334SS..Hα-helixtrans-56.4-53.3170.5-178.7-94.5000111.4K32 I59 N64 R65 K70 Y71 K72K32-W68 HydrophobicContact CD-CZ3 4.15Å; I59-W68 HydrophobicContact CD1-CE3 4Å; I59-W68 HydrophobicContact CG1-CE3 4.02Å; I59-W68 WeakPolarHBondContact O-CB 3.45Å; N64-W68 PolarHBondContact O-N 2.85Å; N64-W68 VanDerWaalsContact O-N 3.11Å; R65-W68 WeakPolarHBondContact O-CB 3.25Å; R65-W68 PolarHBondContact O-N 2.79Å; W68-K70 PolarHBondContact O-N 3.31Å; W68-Y71 PolarHBondContact O-N 2.86Å; W68-K72 HydrophobicContact CD2-CB 3.99Å; W68-K72 HydrophobicContact CE3-CB 4.39Å; W68-K72 HydrophobicContact CG-CB 4.35Å; W68-K72 HydrophobicContact CZ2-CB 4.32Å; W68-K72 WeakPolarHBondContact O-CB 3.29Å; W68-K72 VanDerWaalsContact O-CG 3.25Å; W68-K72 WeakPolarHBondContact O-CG 3.21Å; W68-K72 PolarHBondContact O-N 2.98Å
69D96.6Very high96Very high95 Ų9569.6 Ų69.651%0.50832%0.323SS..Hα-helixtrans-61.1-32-178.1-71.1-38.7000112R65R65-D69 PolarHBondContact O-N 2.81Å
70K96.7Very high96Very high120 Ų12070.3 Ų70.352%0.52233%0.327SS..Hα-helixtrans-83.1-37.7-179.5-163.2178.7-177.4-176.40114.4Q66 W67 W68Q66-K70 WeakPolarHBondContact O-CB 3.41Å; Q66-K70 PolarHBondContact O-N 3.07Å; W67-K70 HydrophobicContact CE3-CD 4.31Å; W67-K70 HydrophobicContact CZ3-CD 4.21Å; W67-K70 PolarHBondContact O-N 3.37Å; W68-K70 PolarHBondContact O-N 3.31Å
71Y96.8Very high96Very high15 Ų1571.8 Ų71.86%0.05933%0.33CS..Hα-helixtrans-128.5-0-163.4-62.1-39.8000115.6F30 W67 W68 W73 D74 I75 V77 H79F30-Y71 HydrophobicContact CB-CD2 4.35Å; F30-Y71 HydrophobicContact CD1-CD2 4.32Å; F30-Y71 HydrophobicContact CD2-CD2 4.21Å; F30-Y71 HydrophobicContact CD2-CE2 4.07Å; F30-Y71 HydrophobicContact CE2-CE2 4.17Å; F30-Y71 HydrophobicContact CG-CD2 4.01Å; F30-Y71 HydrophobicContact CG-CE2 4.29Å; F30-Y71 HydrophobicContact CZ-CE2 4.46Å; W67-Y71 AromaticContact CE3-CD2 3.79Å; W67-Y71 HydrophobicContact CE3-CD2 3.79Å; W67-Y71 AromaticContact CE3-CE2 3.4Å; W67-Y71 HydrophobicContact CE3-CE2 3.4Å; W67-Y71 VanDerWaalsContact CE3-CE2 3.4Å; W67-Y71 HydrophobicContact CZ3-CD2 4.39Å; W67-Y71 AromaticContact CZ3-CE2 3.55Å; W67-Y71 HydrophobicContact CZ3-CE2 3.55Å; W67-Y71 WeakPolarHBondContact O-CB 3.39Å; W67-Y71 PolarHBondContact O-N 3.2Å; W68-Y71 PolarHBondContact O-N 2.86Å; Y71-W73 PolarHBondContact O-N 3.24Å; Y71-D74 PolarHBondContact O-N 2.82Å; Y71-I75 WeakPolarHBondContact O-CG2 3.49Å; Y71-I75 PolarHBondContact O-N 2.92Å; Y71-I75 VanDerWaalsContact O-N 3.16Å; Y71-V77 HydrophobicContact CD1-CB 4.47Å; Y71-V77 HydrophobicContact CD1-CG1 4.32Å; Y71-V77 HydrophobicContact CD1-CG2 3.79Å; Y71-V77 HydrophobicContact CD2-CB 4.28Å; Y71-V77 HydrophobicContact CD2-CG1 4.31Å; Y71-V77 HydrophobicContact CD2-CG2 4.29Å; Y71-V77 HydrophobicContact CE1-CG1 4.04Å; Y71-V77 HydrophobicContact CE1-CG2 4.31Å; Y71-V77 HydrophobicContact CE2-CB 4.48Å; Y71-V77 HydrophobicContact CE2-CG1 4.03Å; Y71-V77 HydrophobicContact CG-CB 4.29Å; Y71-V77 HydrophobicContact CG-CG1 4.46Å; Y71-V77 HydrophobicContact CG-CG2 3.79Å; Y71-H79 AromaticContact CE2-NE2 3.74Å; Y71-H79 AromaticContact CZ-NE2 3.62Å; Y71-H79 PolarHBondContact OH-CE1 2.89Å; Y71-H79 PolarHBondContact OH-NE2 2.85Å
72K93.3Very high95.9Very high60 Ų6071 Ų7126%0.26134%0.34SS..THydrogen-bonded Turntrans-49.6-26.1-177.860-173172.4-173.70115.9W68W68-K72 HydrophobicContact CD2-CB 3.99Å; W68-K72 HydrophobicContact CE3-CB 4.39Å; W68-K72 HydrophobicContact CG-CB 4.35Å; W68-K72 HydrophobicContact CZ2-CB 4.32Å; W68-K72 WeakPolarHBondContact O-CB 3.29Å; W68-K72 VanDerWaalsContact O-CG 3.25Å; W68-K72 WeakPolarHBondContact O-CG 3.21Å; W68-K72 PolarHBondContact O-N 2.98Å
73W94Very high95.9Very high208 Ų20872.8 Ų72.879%0.78834%0.338SS*.THydrogen-bonded Turntrans-103.8-6.1179.3-54.1125.9000114.5Y71Y71-W73 PolarHBondContact O-N 3.24Å
74D93.4Very high95.8Very high40 Ų4070.8 Ų70.821%0.21433%0.325CS..THydrogen-bonded Turntrans-118.3-4.5-169.1-69.9-72.6000113.3Y71 V77 K87 H88Y71-D74 PolarHBondContact O-N 2.82Å; D74-V77 HydrophobicContact CB-CG2 4.02Å; D74-V77 VanDerWaalsContact O-CG2 3.29Å; D74-V77 WeakPolarHBondContact O-CG2 3.25Å; D74-K87 HydrophobicContact CB-CD 3.87Å; D74-K87 WeakPolarHBondContact OD1-CD 3.4Å; D74-K87 IonicContact OD1-NZ 3.08Å; D74-K87 PolarHBondContact OD1-NZ 3.3Å; D74-H88 PolarHBondContact O-CD2 3.2Å; D74-H88 IonicContact OD1-CE1 2.65Å; D74-H88 IonicContact OD1-NE2 3.74Å; D74-H88 PolarHBondContact OD1-NE2 2.65Å
75I91.7Very high95.8Very high13 Ų1370.4 Ų70.47%0.06732%0.323CS..  trans-64.3145.4178.154.8163000112.1F30 K32 I59 Y71F30-I75 HydrophobicContact CB-CG2 4.4Å; F30-I75 WeakPolarHBondContact O-CG2 3.49Å; K32-I75 HydrophobicContact CB-CD1 4.03Å; K32-I75 HydrophobicContact CD-CD1 3.45Å; K32-I75 VanDerWaalsContact CD-CD1 3.45Å; K32-I75 HydrophobicContact CG-CD1 3.39Å; I59-I75 HydrophobicContact CD1-CD1 4.32Å; I59-I75 HydrophobicContact CD1-CG2 3.59Å; I59-I75 HydrophobicContact CG1-CG2 4.38Å; Y71-I75 WeakPolarHBondContact O-CG2 3.49Å; Y71-I75 PolarHBondContact O-N 2.92Å; Y71-I75 VanDerWaalsContact O-N 3.16Å
76P96.3Very high95.8Very high0 Ų062.6 Ų62.60%029%0.294CS..SBendcis-71.7137.3-0.129.2-35.5000112.4L29 L37 C38 A41 F78 K87 H88L29-P76 HydrophobicContact CD1-CB 3.56Å; L37-P76 HydrophobicContact CB-CG 4.44Å; C38-P76 HydrophobicContact CB-CB 4.5Å; A41-P76 HydrophobicContact CB-CB 4.31Å; A41-P76 HydrophobicContact CB-CG 4Å; P76-F78 HydrophobicContact CB-CE2 4.02Å; P76-F78 HydrophobicContact CB-CZ 4.08Å; P76-F78 HydrophobicContact CG-CE2 4.27Å; P76-K87 CarbonylContact O-C 3.53Å; P76-K87 WeakPolarHBondContact O-CA 3.38Å; P76-H88 PolarHBondContact O-N 3.32Å
77V97.4Very high95.6Very high0 Ų060.1 Ų60.10%028%0.281CS..EExtended strand (participates in β ladder)trans-116139.8172.9-179.30000109.1L29 F30 Y71 D74 Y84 K87L29-V77 WeakPolarHBondContact CA-O 3.46Å; F30-V77 HydrophobicContact CB-CB 4.18Å; F30-V77 HydrophobicContact CD2-CB 4.07Å; F30-V77 HydrophobicContact CD2-CG1 4.17Å; F30-V77 WeakPolarHBondContact CD2-O 3.4Å; F30-V77 PolarHBondContact N-O 3.29Å; F30-V77 PolarHBondContact O-N 3.15Å; Y71-V77 HydrophobicContact CD1-CB 4.47Å; Y71-V77 HydrophobicContact CD1-CG1 4.32Å; Y71-V77 HydrophobicContact CD1-CG2 3.79Å; Y71-V77 HydrophobicContact CD2-CB 4.28Å; Y71-V77 HydrophobicContact CD2-CG1 4.31Å; Y71-V77 HydrophobicContact CD2-CG2 4.29Å; Y71-V77 HydrophobicContact CE1-CG1 4.04Å; Y71-V77 HydrophobicContact CE1-CG2 4.31Å; Y71-V77 HydrophobicContact CE2-CB 4.48Å; Y71-V77 HydrophobicContact CE2-CG1 4.03Å; Y71-V77 HydrophobicContact CG-CB 4.29Å; Y71-V77 HydrophobicContact CG-CG1 4.46Å; Y71-V77 HydrophobicContact CG-CG2 3.79Å; D74-V77 HydrophobicContact CB-CG2 4.02Å; D74-V77 VanDerWaalsContact O-CG2 3.29Å; D74-V77 WeakPolarHBondContact O-CG2 3.25Å; V77-Y84 HydrophobicContact CG1-CD2 3.94Å; V77-Y84 HydrophobicContact CG1-CE2 3.88Å; V77-K87 HydrophobicContact CB-CB 4.46Å; V77-K87 HydrophobicContact CG2-CB 3.88Å
78F97.6Very high95.3Very high0 Ų062.4 Ų62.40%029%0.294CS..EExtended strand (participates in β ladder)trans-118.6132-179.3-58.2-87.3000111.2L27 T28 L29 A41 L45 P76 L85 M86 V90L27-F78 HydrophobicContact CD1-CB 4.19Å; L27-F78 HydrophobicContact CD1-CD1 4.44Å; L27-F78 HydrophobicContact CD2-CD1 4.36Å; L27-F78 HydrophobicContact CG-CD1 4.35Å; T28-F78 CarbonylContact O-C 3.6Å; T28-F78 VanDerWaalsContact O-CA 3.25Å; T28-F78 WeakPolarHBondContact O-CA 3.14Å; L29-F78 HydrophobicContact CB-CD1 4.24Å; L29-F78 HydrophobicContact CB-CE1 4.1Å; L29-F78 HydrophobicContact CD1-CD1 4.19Å; L29-F78 HydrophobicContact CD1-CE1 3.61Å; L29-F78 HydrophobicContact CD1-CZ 3.85Å; L29-F78 HydrophobicContact CD2-CE1 4.37Å; L29-F78 HydrophobicContact CG-CE1 4.22Å; A41-F78 HydrophobicContact CB-CZ 3.75Å; L45-F78 HydrophobicContact CD1-CD1 4.37Å; L45-F78 HydrophobicContact CD1-CE1 3.67Å; L45-F78 HydrophobicContact CD1-CZ 4.44Å; P76-F78 HydrophobicContact CB-CE2 4.02Å; P76-F78 HydrophobicContact CB-CZ 4.08Å; P76-F78 HydrophobicContact CG-CE2 4.27Å; F78-L85 HydrophobicContact CB-CB 4.41Å; F78-L85 WeakPolarHBondContact O-CB 3.38Å; F78-L85 PolarHBondContact O-N 2.9Å; F78-M86 HydrophobicContact CB-CE 4.26Å; F78-M86 HydrophobicContact CB-CG 3.97Å; F78-M86 HydrophobicContact CD1-CE 4.46Å; F78-M86 HydrophobicContact CD2-CE 3.88Å; F78-M86 HydrophobicContact CD2-CG 3.57Å; F78-M86 HydrophobicContact CE2-CE 4.31Å; F78-M86 HydrophobicContact CE2-CG 4.42Å; F78-M86 HydrophobicContact CG-CE 3.93Å; F78-M86 HydrophobicContact CG-CG 4.09Å; F78-M86 PolarHBondContact N-O 3.32Å; F78-M86 PolarHBondContact O-N 3.29Å; F78-V90 HydrophobicContact CE1-CG2 4.36Å; F78-V90 HydrophobicContact CE2-CG2 3.93Å; F78-V90 HydrophobicContact CZ-CG2 3.62Å
79H97.6Very high94.9Very high12 Ų1259.5 Ų59.56%0.05629%0.293CS..EExtended strand (participates in β ladder)trans-113.5138.4165.3-69.8-170.4000110.1L27 T28 F30 W67 Y71 Q83L27-H79 CarbonylContact C-O 3.52Å; L27-H79 WeakPolarHBondContact CA-O 3.48Å; T28-H79 PolarHBondContact N-O 3.18Å; T28-H79 PolarHBondContact O-N 3.37Å; F30-H79 HydrophobicContact CE2-CB 4.24Å; F30-H79 AromaticContact CE2-CD2 3.56Å; F30-H79 AromaticContact CE2-CE1 3.65Å; F30-H79 AromaticContact CE2-CG 3.62Å; F30-H79 AromaticContact CE2-ND1 3.69Å; F30-H79 AromaticContact CE2-NE2 3.58Å; F30-H79 AromaticContact CZ-CE1 3.91Å; F30-H79 AromaticContact CZ-ND1 3.95Å; W67-H79 AromaticContact CH2-CE1 3.87Å; W67-H79 AromaticContact CZ3-CE1 3.8Å; Y71-H79 AromaticContact CE2-NE2 3.74Å; Y71-H79 AromaticContact CZ-NE2 3.62Å; Y71-H79 PolarHBondContact OH-CE1 2.89Å; Y71-H79 PolarHBondContact OH-NE2 2.85Å; H79-Q83 CarbonylContact C-O 3.35Å; H79-Q83 WeakPolarHBondContact CA-O 3.49Å; H79-Q83 VanDerWaalsContact CB-O 3.31Å; H79-Q83 WeakPolarHBondContact CB-O 3.26Å
80L96.4Very high94.7Very high16 Ų1656 Ų568%0.08427%0.274CS..EExtended strand (participates in β ladder)trans-108.4120.4171.8-170.866.1000108.6P25 T26 L27 G82 Q83 L85 L98 I102P25-L80 HydrophobicContact CB-CD1 3.9Å; P25-L80 HydrophobicContact CG-CD1 4.39Å; T26-L80 WeakPolarHBondContact O-CA 3.28Å; L27-L80 HydrophobicContact CB-CD1 4.42Å; L27-L80 HydrophobicContact CD1-CB 4.49Å; L27-L80 HydrophobicContact CD1-CD1 4.09Å; L80-G82 PolarHBondContact O-N 3.32Å; L80-Q83 PolarHBondContact N-O 2.81Å; L80-Q83 PolarHBondContact O-N 2.91Å; L80-L85 HydrophobicContact CB-CB 4.33Å; L80-L85 HydrophobicContact CB-CD2 4.18Å; L80-L98 HydrophobicContact CD2-CB 4.09Å; L80-L98 HydrophobicContact CD2-CD1 4.37Å; L80-I102 HydrophobicContact CD2-CD1 3.77Å; L80-I102 HydrophobicContact CG-CD1 4.36Å
81N94.8Very high94.6Very high90 Ų9054.2 Ų54.248%0.48127%0.27SS..THydrogen-bonded Turntrans51.139.8-174.1-64.7-24.3000113.1P25 T26 Q83P25-N81 VanDerWaalsContact CA-OD1 3.22Å; P25-N81 WeakPolarHBondContact CA-OD1 3.43Å; P25-N81 WeakPolarHBondContact CB-OD1 3.44Å; T26-N81 PolarHBondContact N-OD1 3.17Å; T26-N81 PolarHBondContact O-N 3.26Å; N81-Q83 PolarHBondContact O-N 3.41Å
82G94.6Very high94.4Very high57 Ų5755.5 Ų55.559%0.58829%0.285SS*.THydrogen-bonded Turntrans76.72.4-179.400000115.1L80L80-G82 PolarHBondContact O-N 3.32Å
83Q96Very high94.4Very high149 Ų14956.2 Ų56.270%0.69630%0.302SS*.EExtended strand (participates in β ladder)trans-101138.2174.4-59.6-171.2-59.200110.6H79 L80 N81 L85H79-Q83 CarbonylContact C-O 3.35Å; H79-Q83 WeakPolarHBondContact CA-O 3.49Å; H79-Q83 VanDerWaalsContact CB-O 3.31Å; H79-Q83 WeakPolarHBondContact CB-O 3.26Å; L80-Q83 PolarHBondContact N-O 2.81Å; L80-Q83 PolarHBondContact O-N 2.91Å; N81-Q83 PolarHBondContact O-N 3.41Å; Q83-L85 PolarHBondContact O-N 3.11Å
84Y96.2Very high94.4Very high122 Ų12249.4 Ų49.448%0.47828%0.28SS..EExtended strand (participates in β ladder)trans-55.9129.1175.3173-91.2000111.1V77 K87V77-Y84 HydrophobicContact CG1-CD2 3.94Å; V77-Y84 HydrophobicContact CG1-CE2 3.88Å; Y84-K87 HydrophobicContact CE2-CB 4.31Å; Y84-K87 VanDerWaalsContact OH-CG 3.32Å; Y84-K87 WeakPolarHBondContact OH-CG 3.34Å
85L95.7Very high94.5Very high25 Ų2547.5 Ų47.513%0.13127%0.27CS..EExtended strand (participates in β ladder)trans-109.7-64.1179.3173.157.8000111.2L27 F78 L80 Q83 L94 L95 L98L27-L85 HydrophobicContact CD1-CD2 3.94Å; F78-L85 HydrophobicContact CB-CB 4.41Å; F78-L85 WeakPolarHBondContact O-CB 3.38Å; F78-L85 PolarHBondContact O-N 2.9Å; L80-L85 HydrophobicContact CB-CB 4.33Å; L80-L85 HydrophobicContact CB-CD2 4.18Å; Q83-L85 PolarHBondContact O-N 3.11Å; L85-L94 HydrophobicContact CD1-CD2 3.99Å; L85-L94 HydrophobicContact CD1-CG 4.22Å; L85-L95 HydrophobicContact CD2-CD1 4Å; L85-L98 HydrophobicContact CD1-CD1 3.14Å; L85-L98 HydrophobicContact CG-CD1 4.45Å
86M95.1Very high94.7Very high14 Ų1449.1 Ų49.17%0.06928%0.279CS..EExtended strand (participates in β ladder)trans-157166.9-173.464.2-163.4170.700111.5F78 V90 D91F78-M86 HydrophobicContact CB-CE 4.26Å; F78-M86 HydrophobicContact CB-CG 3.97Å; F78-M86 HydrophobicContact CD1-CE 4.46Å; F78-M86 HydrophobicContact CD2-CE 3.88Å; F78-M86 HydrophobicContact CD2-CG 3.57Å; F78-M86 HydrophobicContact CE2-CE 4.31Å; F78-M86 HydrophobicContact CE2-CG 4.42Å; F78-M86 HydrophobicContact CG-CE 3.93Å; F78-M86 HydrophobicContact CG-CG 4.09Å; F78-M86 PolarHBondContact N-O 3.32Å; F78-M86 PolarHBondContact O-N 3.29Å; M86-V90 HydrophobicContact CE-CB 4.24Å; M86-V90 HydrophobicContact CE-CG1 3.92Å; M86-V90 HydrophobicContact CE-CG2 4.28Å; M86-D91 HydrophobicContact SD-CB 4.12Å; M86-D91 PolarHBondContact SD-N 2.86Å
87K93.6Very high94.7Very high81 Ų8155.2 Ų55.235%0.35231%0.305SS..EExtended strand (participates in β ladder)trans-145.5167.5177.368.9175.6173.41710112.2D74 P76 V77 Y84 G89D74-K87 HydrophobicContact CB-CD 3.87Å; D74-K87 WeakPolarHBondContact OD1-CD 3.4Å; D74-K87 IonicContact OD1-NZ 3.08Å; D74-K87 PolarHBondContact OD1-NZ 3.3Å; P76-K87 CarbonylContact O-C 3.53Å; P76-K87 WeakPolarHBondContact O-CA 3.38Å; V77-K87 HydrophobicContact CB-CB 4.46Å; V77-K87 HydrophobicContact CG2-CB 3.88Å; Y84-K87 HydrophobicContact CE2-CB 4.31Å; Y84-K87 VanDerWaalsContact OH-CG 3.32Å; Y84-K87 WeakPolarHBondContact OH-CG 3.34Å; K87-G89 PolarHBondContact O-N 2.95Å
88H91.1Very high94.5Very high102 Ų10257.7 Ų57.747%0.47232%0.318SS..SBendtrans63.8-18.5-179.1-49.6140000116.4D74 P76D74-H88 PolarHBondContact O-CD2 3.2Å; D74-H88 IonicContact OD1-CE1 2.65Å; D74-H88 IonicContact OD1-NE2 3.74Å; D74-H88 PolarHBondContact OD1-NE2 2.65Å; P76-H88 PolarHBondContact O-N 3.32Å
89G88.2Confident94.4Very high31 Ų3157.8 Ų57.832%0.3232%0.319SS..SBendtrans-173.3173.1179.900000111.9K87K87-G89 PolarHBondContact O-N 2.95Å
90V91.9Very high94.2Very high20 Ų2060.8 Ų60.812%0.12133%0.333CS..  trans-99.4112.6179.1176.40000109.2A41 L44 L45 F78 M86 A92A41-V90 HydrophobicContact CB-CG2 3.99Å; L44-V90 HydrophobicContact CB-CB 3.92Å; L44-V90 HydrophobicContact CB-CG1 4.14Å; L44-V90 HydrophobicContact CB-CG2 4.18Å; L44-V90 HydrophobicContact CD1-CB 4.01Å; L45-V90 HydrophobicContact CD2-CG1 3.89Å; L45-V90 HydrophobicContact CD2-CG2 4.23Å; L45-V90 HydrophobicContact CG-CG1 4.46Å; L45-V90 HydrophobicContact CG-CG2 4.09Å; F78-V90 HydrophobicContact CE1-CG2 4.36Å; F78-V90 HydrophobicContact CE2-CG2 3.93Å; F78-V90 HydrophobicContact CZ-CG2 3.62Å; M86-V90 HydrophobicContact CE-CB 4.24Å; M86-V90 HydrophobicContact CE-CG1 3.92Å; M86-V90 HydrophobicContact CE-CG2 4.28Å; V90-A92 PolarHBondContact O-N 2.97Å
91D94.1Very high94.1Very high83 Ų8362.7 Ų62.744%0.44434%0.343SS..  trans-83.994.3166.1-172-32.2000108.7M86 A93 L94 L95M86-D91 HydrophobicContact SD-CB 4.12Å; M86-D91 PolarHBondContact SD-N 2.86Å; D91-A93 VanDerWaalsContact C-N 3.27Å; D91-A93 PolarHBondContact O-N 2.78Å; D91-A93 PolarHBondContact OD1-N 3.38Å; D91-L94 HydrophobicContact CB-CB 3.88Å; D91-L94 PolarHBondContact O-N 3.2Å; D91-L94 WeakPolarHBondContact OD1-CB 3.29Å; D91-L94 PolarHBondContact OD1-N 2.88Å; D91-L95 WeakPolarHBondContact O-CB 3.39Å; D91-L95 PolarHBondContact O-N 2.84Å
92A92.9Very high94Very high43 Ų4359.9 Ų59.936%0.35533%0.328SS..Hα-helixtrans-62-34.4-17700000112.7F48 V90 D96F48-A92 HydrophobicContact CE2-CB 3.93Å; F48-A92 HydrophobicContact CZ-CB 4.05Å; V90-A92 PolarHBondContact O-N 2.97Å; A92-D96 VanDerWaalsContact O-CB 3.26Å; A92-D96 WeakPolarHBondContact O-CB 2.95Å; A92-D96 PolarHBondContact O-N 3.29Å
93A94.3Very high93.8Very high75 Ų7561.4 Ų61.462%0.6232%0.32SS*.Hα-helixtrans-71.2-42.7-179.700000111.1D91 K97D91-A93 VanDerWaalsContact C-N 3.27Å; D91-A93 PolarHBondContact O-N 2.78Å; D91-A93 PolarHBondContact OD1-N 3.38Å; A93-K97 WeakPolarHBondContact O-CB 3.24Å; A93-K97 PolarHBondContact O-N 3.35Å; A93-K97 VanDerWaalsContact O-N 3.08Å
94L94.3Very high93.5Very high65 Ų6560.5 Ų60.534%0.3431%0.313SS..Hα-helixtrans-62.5-47.8173.6176.962.3000111.3L85 D91 D96 K97 L98L85-L94 HydrophobicContact CD1-CD2 3.99Å; L85-L94 HydrophobicContact CD1-CG 4.22Å; D91-L94 HydrophobicContact CB-CB 3.88Å; D91-L94 PolarHBondContact O-N 3.2Å; D91-L94 WeakPolarHBondContact OD1-CB 3.29Å; D91-L94 PolarHBondContact OD1-N 2.88Å; L94-D96 PolarHBondContact O-N 3.16Å; L94-K97 PolarHBondContact O-N 3.34Å; L94-L98 HydrophobicContact CD1-CD1 4Å; L94-L98 HydrophobicContact CD1-CG 4.27Å; L94-L98 HydrophobicContact CG-CD1 4.06Å; L94-L98 WeakPolarHBondContact O-CG 3.3Å; L94-L98 PolarHBondContact O-N 3.49Å
95L95.1Very high93Very high0 Ų062.8 Ų62.80%033%0.326CS..Hα-helixtrans-59.9-47.6179.2178.961.6000111.1L27 L45 F48 F52 L85 D91 K97 L98 L99L27-L95 HydrophobicContact CD1-CD1 4.44Å; L45-L95 HydrophobicContact CD2-CD2 3.4Å; F48-L95 HydrophobicContact CB-CD2 4.33Å; F48-L95 HydrophobicContact CD2-CD2 4.06Å; F48-L95 HydrophobicContact CG-CD2 4.15Å; F52-L95 HydrophobicContact CE1-CD2 4.21Å; L85-L95 HydrophobicContact CD2-CD1 4Å; D91-L95 WeakPolarHBondContact O-CB 3.39Å; D91-L95 PolarHBondContact O-N 2.84Å; L95-K97 PolarHBondContact O-N 2.88Å; L95-L98 PolarHBondContact O-N 3.21Å; L95-L99 HydrophobicContact CD1-CD1 4.03Å; L95-L99 HydrophobicContact CD1-CG 4.13Å; L95-L99 HydrophobicContact CG-CD1 3.9Å; L95-L99 HydrophobicContact CG-CG 4.41Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.36Å; L95-L99 PolarHBondContact O-N 3.2Å
96D95.4Very high92.1Very high46 Ų4664.3 Ų64.325%0.24633%0.334CS..Hα-helixtrans-58.3-48.8178.9-176-111.9000111.8F48 R51 A92 L94 L98 L99 Q100F48-D96 HydrophobicContact CE1-CB 3.79Å; F48-D96 HydrophobicContact CZ-CB 4.32Å; R51-D96 IonicContact CZ-OD2 3.59Å; R51-D96 IonicContact NH1-OD2 2.71Å; R51-D96 PolarHBondContact NH1-OD2 3.25Å; A92-D96 VanDerWaalsContact O-CB 3.26Å; A92-D96 WeakPolarHBondContact O-CB 2.95Å; A92-D96 PolarHBondContact O-N 3.29Å; L94-D96 PolarHBondContact O-N 3.16Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.21Å; D96-L99 PolarHBondContact O-N 3.01Å; D96-Q100 WeakPolarHBondContact O-CG 3.06Å; D96-Q100 PolarHBondContact O-N 3.08Å; D96-Q100 PolarHBondContact OD1-NE2 3.4Å
97K95.7Very high90.6Very high129 Ų12972.4 Ų72.456%0.56137%0.374SS*.Hα-helixtrans-57-45.7178.2-175.3-174176.2-171.80111.8A93 L94 L95 Q100 D101A93-K97 WeakPolarHBondContact O-CB 3.24Å; A93-K97 PolarHBondContact O-N 3.35Å; A93-K97 VanDerWaalsContact O-N 3.08Å; L94-K97 PolarHBondContact O-N 3.34Å; L95-K97 PolarHBondContact O-N 2.88Å; K97-Q100 PolarHBondContact O-N 3.4Å; K97-D101 PolarHBondContact O-N 3.47Å
98L94.8Very high90.5Very high52 Ų5272 Ų7227%0.27238%0.375SS..Hα-helixtrans-67.2-39.8-179.6-70.7171.6000112.5L80 L85 L94 L95 D96 D101 I102L80-L98 HydrophobicContact CD2-CB 4.09Å; L80-L98 HydrophobicContact CD2-CD1 4.37Å; L85-L98 HydrophobicContact CD1-CD1 3.14Å; L85-L98 HydrophobicContact CG-CD1 4.45Å; L94-L98 HydrophobicContact CD1-CD1 4Å; L94-L98 HydrophobicContact CD1-CG 4.27Å; L94-L98 HydrophobicContact CG-CD1 4.06Å; L94-L98 WeakPolarHBondContact O-CG 3.3Å; L94-L98 PolarHBondContact O-N 3.49Å; L95-L98 PolarHBondContact O-N 3.21Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.21Å; L98-D101 PolarHBondContact O-N 2.9Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.09Å; L98-I102 PolarHBondContact O-N 3.22Å
99L94.3Very high90.4Very high2 Ų270.4 Ų70.41%0.0137%0.37CS..Hα-helixtrans-63-43.3174.8-68.1171.3000111P25 F48 R51 F52 L95 D96 D101 I102 E103P25-L99 HydrophobicContact CG-CD2 3.63Å; F48-L99 HydrophobicContact CB-CD1 4.28Å; F48-L99 HydrophobicContact CD1-CD1 4.14Å; R51-L99 HydrophobicContact CB-CD1 4.04Å; R51-L99 HydrophobicContact CB-CD2 4.49Å; F52-L99 HydrophobicContact CB-CD2 4.36Å; F52-L99 HydrophobicContact CD1-CD1 4.05Å; F52-L99 HydrophobicContact CD1-CD2 4.27Å; L95-L99 HydrophobicContact CD1-CD1 4.03Å; L95-L99 HydrophobicContact CD1-CG 4.13Å; L95-L99 HydrophobicContact CG-CD1 3.9Å; L95-L99 HydrophobicContact CG-CG 4.41Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.36Å; L95-L99 PolarHBondContact O-N 3.2Å; D96-L99 PolarHBondContact O-N 3.01Å; L99-D101 VanDerWaalsContact C-N 3.34Å; L99-D101 PolarHBondContact O-N 3.42Å; L99-I102 PolarHBondContact O-N 3.08Å; L99-E103 WeakPolarHBondContact O-CG 3.32Å; L99-E103 PolarHBondContact O-N 3.32Å
100Q94.6Very high90.6Very high74 Ų7472.6 Ų72.635%0.34637%0.373SS..Hα-helixtrans-60.3-42.7175-70.5-17622.100112.1D96 K97 I102 E103 K104D96-Q100 WeakPolarHBondContact O-CG 3.06Å; D96-Q100 PolarHBondContact O-N 3.08Å; D96-Q100 PolarHBondContact OD1-NE2 3.4Å; K97-Q100 PolarHBondContact O-N 3.4Å; Q100-I102 VanDerWaalsContact C-N 3.31Å; Q100-I102 PolarHBondContact O-N 2.05Å; Q100-E103 PolarHBondContact O-N 2.99Å; Q100-K104 VanDerWaalsContact O-CG 3.29Å; Q100-K104 WeakPolarHBondContact O-CG 3.48Å; Q100-K104 PolarHBondContact O-N 3.4Å
101D93.9Very high90.5Very high57 Ų5775.7 Ų75.731%0.30539%0.388SS..Hα-helixtrans-65.6-35.3179.1-73.4-17.4000111.8K97 L98 L99 K105K97-D101 PolarHBondContact O-N 3.47Å; L98-D101 PolarHBondContact O-N 2.9Å; L99-D101 VanDerWaalsContact C-N 3.34Å; L99-D101 PolarHBondContact O-N 3.42Å; D101-K105 VanDerWaalsContact O-CG 3.26Å; D101-K105 WeakPolarHBondContact O-CG 3.47Å; D101-K105 PolarHBondContact O-N 3.06Å; D101-K105 VanDerWaalsContact O-N 3.15Å
102I91.9Very high90.3Very high31 Ų3175.3 Ų75.316%0.15938%0.384CS..Hα-helixtrans-68.7-44.9174.6-69.1165.8000110.7P25 L80 L98 L99 Q100 K104 K105 N106P25-I102 HydrophobicContact CB-CD1 3.98Å; P25-I102 HydrophobicContact CG-CD1 4.16Å; P25-I102 HydrophobicContact CG-CG2 4.32Å; L80-I102 HydrophobicContact CD2-CD1 3.77Å; L80-I102 HydrophobicContact CG-CD1 4.36Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.09Å; L98-I102 PolarHBondContact O-N 3.22Å; L99-I102 PolarHBondContact O-N 3.08Å; Q100-I102 VanDerWaalsContact C-N 3.31Å; Q100-I102 PolarHBondContact O-N 2.05Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.26Å; I102-K105 PolarHBondContact O-N 3.19Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.36Å; I102-N106 WeakPolarHBondContact O-CB 3.46Å; I102-N106 VanDerWaalsContact O-CG 3.31Å; I102-N106 PolarHBondContact O-N 3.37Å; I102-N106 PolarHBondContact O-ND2 3.19Å; I102-N106 VanDerWaalsContact O-ND2 3.07Å
103E90.6Very high90.1Very high88 Ų8877.4 Ų77.441%0.41139%0.386SS..Hα-helixtrans-60.3-42.6177.4-73.2165174.800112.1R51 L99 Q100 N106 M107R51-E103 IonicContact CZ-OE1 3.83Å; R51-E103 IonicContact CZ-OE2 3.34Å; R51-E103 IonicContact NE-OE1 3.3Å; R51-E103 PolarHBondContact NE-OE1 3.08Å; R51-E103 IonicContact NE-OE2 2.74Å; R51-E103 IonicContact NH2-OE1 2.68Å; R51-E103 PolarHBondContact NH2-OE1 3.29Å; R51-E103 VanDerWaalsContact NH2-OE1 3.14Å; R51-E103 IonicContact NH2-OE2 3.14Å; R51-E103 PolarHBondContact NH2-OE2 3.32Å; L99-E103 WeakPolarHBondContact O-CG 3.32Å; L99-E103 PolarHBondContact O-N 3.32Å; Q100-E103 PolarHBondContact O-N 2.99Å; E103-N106 PolarHBondContact O-N 3.08Å; E103-M107 PolarHBondContact O-N 3.16Å; E103-M107 VanDerWaalsContact O-N 3.08Å
104K90Very high89.8Confident130 Ų13077.6 Ų77.657%0.56537%0.369SS*.Hα-helixtrans-64.5-38.3176.2-71.9169.2-169.7164.20112.7Q100 I102 N106 M107Q100-K104 VanDerWaalsContact O-CG 3.29Å; Q100-K104 WeakPolarHBondContact O-CG 3.48Å; Q100-K104 PolarHBondContact O-N 3.4Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.26Å; K104-N106 VanDerWaalsContact C-N 3.28Å; K104-M107 WeakPolarHBondContact O-CB 3.32Å; K104-M107 PolarHBondContact O-N 3.29Å
105K85.9Confident89.4Confident170 Ų17078.5 Ų78.574%0.73937%0.372SS*.Hα-helixtrans-70.3-26.8177.1-75171-175.7174.80113D101 I102D101-K105 VanDerWaalsContact O-CG 3.26Å; D101-K105 WeakPolarHBondContact O-CG 3.47Å; D101-K105 PolarHBondContact O-N 3.06Å; D101-K105 VanDerWaalsContact O-N 3.15Å; I102-K105 PolarHBondContact O-N 3.19Å
106N75.5Confident89Confident57 Ų5785.1 Ų85.131%0.30540%0.403SS..Hα-helixtrans-87.9-10.1177.3-70.9-35.9000112.9R22 I102 E103 K104R22-N106 HydrophobicContact CG-CB 4.29Å; R22-N106 VanDerWaalsContact CZ-O 3.25Å; R22-N106 PolarHBondContact NE-O 3.14Å; R22-N106 PolarHBondContact NH2-O 3.13Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.36Å; I102-N106 WeakPolarHBondContact O-CB 3.46Å; I102-N106 VanDerWaalsContact O-CG 3.31Å; I102-N106 PolarHBondContact O-N 3.37Å; I102-N106 PolarHBondContact O-ND2 3.19Å; I102-N106 VanDerWaalsContact O-ND2 3.07Å; E103-N106 PolarHBondContact O-N 3.08Å; K104-N106 VanDerWaalsContact C-N 3.28Å
107M65Low88.4Confident185 Ų18588.6 Ų88.691%0.91142%0.417SS*.  trans-74.40173.9-171.97891.900110.2R22 E103 K104R22-M107 PolarHBondContact NH2-O 3.34Å; E103-M107 PolarHBondContact O-N 3.16Å; E103-M107 VanDerWaalsContact O-N 3.08Å; K104-M107 WeakPolarHBondContact O-CB 3.32Å; K104-M107 PolarHBondContact O-N 3.29Å

Retrieved 107 of 107 residues in 104 ms (Link to these results)

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