A0A060WXM4_ONCMY Loading...

CDGSH iron-sulfur domain-containing protein 2

Regulator of autophagy that contributes to antagonize BECN1-mediated cellular autophagy at the endoplasmic reticulum. Participates in the interaction of BCL2 with BECN1 and is required for BCL2-mediated depression of endoplasmic reticulum Ca(2+) stores during autophagy.

AlphaFold DB , UniProt , Accession A0A060WXM4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cisd2, Length 135 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
1M71.5Confident88.2Confident181 Ų181115.9 Ų115.989%0.89258%0.581SS**  0-77.50-68.6-173.672.200113.5L3 E4 T5M1-L3 PolarHBondContact O-N 3.4Å; M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 3.48Å; M1-E4 PolarHBondContact O-N 3.29Å; M1-T5 PolarHBondContact O-N 3.23Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 3.26Å
2V83.6Confident88.4Confident114 Ų114114.6 Ų114.669%0.69158%0.576SS**Hα-helixtrans-62-44.9-172.9179.40000113.4E4 T5 I6V2-E4 VanDerWaalsContact C-N 3.33Å; V2-E4 PolarHBondContact O-N 3.33Å; V2-T5 PolarHBondContact O-N 3.28Å; V2-I6 HydrophobicContact CG1-CD1 3.9Å; V2-I6 WeakPolarHBondContact O-CG1 3.15Å; V2-I6 PolarHBondContact O-N 3.16Å
3L88.4Confident88.4Confident139 Ų139114.2 Ų114.273%0.72857%0.57SS**Hα-helixtrans-67.5-33.5-179-166.766.5000112.8M1 I6 S7M1-L3 PolarHBondContact O-N 3.4Å; L3-I6 PolarHBondContact O-N 2.98Å; L3-S7 VanDerWaalsContact O-CB 3.3Å; L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 3.19Å
4E89.5Confident88.3Confident135 Ų135112.2 Ų112.263%0.63156%0.562SS**Hα-helixtrans-69.3-40.4175.9-67.4159.7152.200111.1M1 V2 S7 R8M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 3.48Å; M1-E4 PolarHBondContact O-N 3.29Å; V2-E4 VanDerWaalsContact C-N 3.33Å; V2-E4 PolarHBondContact O-N 3.33Å; E4-S7 PolarHBondContact O-N 3.5Å; E4-R8 WeakPolarHBondContact O-CB 3.22Å; E4-R8 PolarHBondContact O-N 2.79Å
5T90.6Very high88.2Confident84 Ų84108.2 Ų108.252%0.51555%0.547SS..Hα-helixtrans-61.5-46.1173.7-52.80000111.1M1 V2 R8 I9M1-T5 PolarHBondContact O-N 3.23Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 3.26Å; V2-T5 PolarHBondContact O-N 3.28Å; T5-R8 PolarHBondContact O-N 2.94Å; T5-I9 HydrophobicContact CG2-CD1 4.05Å; T5-I9 VanDerWaalsContact O-CG1 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.36Å; T5-I9 PolarHBondContact O-N 2.85Å
6I90.7Very high88.2Confident78 Ų78104.4 Ų104.440%0.454%0.537SS..Hα-helixtrans-61.7-46.6176.7-67.9167.1000110.9V2 L3 R8 I9 I10V2-I6 HydrophobicContact CG1-CD1 3.9Å; V2-I6 WeakPolarHBondContact O-CG1 3.15Å; V2-I6 PolarHBondContact O-N 3.16Å; L3-I6 PolarHBondContact O-N 2.98Å; I6-R8 VanDerWaalsContact C-N 3.28Å; I6-R8 PolarHBondContact O-N 2.93Å; I6-I9 PolarHBondContact O-N 3.14Å; I6-I10 HydrophobicContact CG2-CD1 3.6Å; I6-I10 HydrophobicContact CG2-CG1 4.31Å; I6-I10 WeakPolarHBondContact O-CG1 3.45Å; I6-I10 PolarHBondContact O-N 2.91Å
7S90.9Very high88.1Confident48 Ų48104.5 Ų104.534%0.33653%0.53SS..Hα-helixtrans-57.1-42.1176.8-1780000111.6L3 E4 I10 K11L3-S7 VanDerWaalsContact O-CB 3.3Å; L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 3.19Å; E4-S7 PolarHBondContact O-N 3.5Å; S7-I10 PolarHBondContact O-N 2.77Å; S7-K11 VanDerWaalsContact O-CB 3.27Å; S7-K11 WeakPolarHBondContact O-CB 3.31Å; S7-K11 WeakPolarHBondContact O-CG 3.31Å; S7-K11 PolarHBondContact O-N 3Å
8R91.6Very high87.9Confident163 Ų163102.8 Ų102.862%0.61552%0.522SS*.Hα-helixtrans-66.4-41.7177-166179.7-177.3-178.40.6112.4E4 T5 I6 I12 Q13E4-R8 WeakPolarHBondContact O-CB 3.22Å; E4-R8 PolarHBondContact O-N 2.79Å; T5-R8 PolarHBondContact O-N 2.94Å; I6-R8 VanDerWaalsContact C-N 3.28Å; I6-R8 PolarHBondContact O-N 2.93Å; R8-I12 HydrophobicContact CG-CD1 3.95Å; R8-I12 HydrophobicContact CG-CG1 4.44Å; R8-I12 WeakPolarHBondContact O-CA 3.09Å; R8-I12 VanDerWaalsContact O-CB 3.27Å; R8-I12 WeakPolarHBondContact O-CB 3.2Å; R8-I12 PolarHBondContact O-N 3.36Å; R8-Q13 PolarHBondContact O-N 3.37Å
9I91.5Very high87.8Confident77 Ų77107.3 Ų107.340%0.39554%0.538SS..Iπ-helixtrans-60.7-50.6176.4-69.6162.2000109.8T5 I6 Q13 L14T5-I9 HydrophobicContact CG2-CD1 4.05Å; T5-I9 VanDerWaalsContact O-CG1 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.36Å; T5-I9 PolarHBondContact O-N 2.85Å; I6-I9 PolarHBondContact O-N 3.14Å; I9-Q13 PolarHBondContact O-N 2.86Å; I9-L14 WeakPolarHBondContact O-CB 3.49Å; I9-L14 PolarHBondContact O-N 2.76Å
10I91Very high87.7Confident100 Ų100110.7 Ų110.751%0.51355%0.549SS..Iπ-helixtrans-66.5-46.8-176.1-66.5171.5000111.4I6 S7 P15I6-I10 HydrophobicContact CG2-CD1 3.6Å; I6-I10 HydrophobicContact CG2-CG1 4.31Å; I6-I10 WeakPolarHBondContact O-CG1 3.45Å; I6-I10 PolarHBondContact O-N 2.91Å; S7-I10 PolarHBondContact O-N 2.77Å; I10-P15 VanDerWaalsContact O-CD 3.29Å; I10-P15 WeakPolarHBondContact O-CD 3.44Å
11K90.9Very high87.5Confident156 Ų156106.2 Ų106.268%0.67853%0.527SS*.Iπ-helixtrans-83.8-24.8-171.8-66.3-177.8178.8-1770113.7S7S7-K11 VanDerWaalsContact O-CB 3.27Å; S7-K11 WeakPolarHBondContact O-CB 3.31Å; S7-K11 WeakPolarHBondContact O-CG 3.31Å; S7-K11 PolarHBondContact O-N 3Å
12I90.5Very high88Confident100 Ų10099.1 Ų99.151%0.51349%0.494SS..Iπ-helixtrans-121.1-59.4-169.8-49.1-173.6000111.2R8 A16R8-I12 HydrophobicContact CG-CD1 3.95Å; R8-I12 HydrophobicContact CG-CG1 4.44Å; R8-I12 WeakPolarHBondContact O-CA 3.09Å; R8-I12 VanDerWaalsContact O-CB 3.27Å; R8-I12 WeakPolarHBondContact O-CB 3.2Å; R8-I12 PolarHBondContact O-N 3.36Å; I12-A16 VanDerWaalsContact O-CB 3.22Å; I12-A16 WeakPolarHBondContact O-CB 3.48Å; I12-A16 PolarHBondContact O-N 3.06Å
13Q88.3Confident88Confident109 Ų10998.3 Ų98.351%0.50949%0.486SS..Iπ-helixtrans-71.4-41.2-170-64.2-177.7-2200112.1R8 I9 A16 Y17R8-Q13 PolarHBondContact O-N 3.37Å; I9-Q13 PolarHBondContact O-N 2.86Å; Q13-A16 PolarHBondContact O-N 3.47Å; Q13-Y17 VanDerWaalsContact O-CB 3.32Å; Q13-Y17 WeakPolarHBondContact O-CB 3.39Å; Q13-Y17 PolarHBondContact O-N 3.46Å
14L86.8Confident87.7Confident87 Ų8793.3 Ų93.346%0.45546%0.461SS..Hα-helixtrans-65.6-50.7-178.8179.366.9000112.3I9 A16 Y17 L18I9-L14 WeakPolarHBondContact O-CB 3.49Å; I9-L14 PolarHBondContact O-N 2.76Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.18Å; L14-Y17 PolarHBondContact O-N 2.8Å; L14-L18 HydrophobicContact CD1-CD1 4.25Å; L14-L18 HydrophobicContact CD1-CG 4.24Å; L14-L18 HydrophobicContact CG-CD1 4.16Å; L14-L18 WeakPolarHBondContact O-CG 3.18Å; L14-L18 PolarHBondContact O-N 2.74Å
15P87.3Confident87.4Confident52 Ų5296.4 Ų96.434%0.33848%0.476SS..Hα-helixtrans-61.7-37.8175.5-24.334.4000112.9I10 Y17 L18 K19I10-P15 VanDerWaalsContact O-CD 3.29Å; I10-P15 WeakPolarHBondContact O-CD 3.44Å; P15-Y17 VanDerWaalsContact C-N 3.33Å; P15-L18 PolarHBondContact O-N 3.46Å; P15-K19 WeakPolarHBondContact O-CB 3.34Å; P15-K19 VanDerWaalsContact O-CG 3.29Å; P15-K19 WeakPolarHBondContact O-CG 3.44Å; P15-K19 PolarHBondContact O-N 2.78Å
16A88.6Confident87.2Confident47 Ų4796.8 Ų96.839%0.38848%0.478SS..Hα-helixtrans-66.1-36.1177.100000112.3I12 Q13 L14 K20I12-A16 VanDerWaalsContact O-CB 3.22Å; I12-A16 WeakPolarHBondContact O-CB 3.48Å; I12-A16 PolarHBondContact O-N 3.06Å; Q13-A16 PolarHBondContact O-N 3.47Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.18Å; A16-K20 WeakPolarHBondContact O-CG 3.46Å
17Y85.4Confident86.6Confident107 Ų107100.7 Ų100.742%0.4250%0.498SS..Hα-helixtrans-68.2-49.3174.2179.3-95.8000111.4Q13 L14 P15 K19 K20 L21 R40Q13-Y17 VanDerWaalsContact O-CB 3.32Å; Q13-Y17 WeakPolarHBondContact O-CB 3.39Å; Q13-Y17 PolarHBondContact O-N 3.46Å; L14-Y17 PolarHBondContact O-N 2.8Å; P15-Y17 VanDerWaalsContact C-N 3.33Å; Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 2.89Å; Y17-K20 PolarHBondContact O-N 2.78Å; Y17-L21 HydrophobicContact CE1-CD1 4.41Å; Y17-L21 HydrophobicContact CE1-CD2 3.91Å; Y17-L21 HydrophobicContact CE1-CG 4.38Å; Y17-R40 PolarHBondContact OH-O 3.05Å
18L85.5Confident86.2Confident73 Ų73101 Ų10138%0.38251%0.509SS..Hα-helixtrans-60.5-38.9-179.2-68.3174.9000112.4L14 P15 K20 L21 L44L14-L18 HydrophobicContact CD1-CD1 4.25Å; L14-L18 HydrophobicContact CD1-CG 4.24Å; L14-L18 HydrophobicContact CG-CD1 4.16Å; L14-L18 WeakPolarHBondContact O-CG 3.18Å; L14-L18 PolarHBondContact O-N 2.74Å; P15-L18 PolarHBondContact O-N 3.46Å; L18-K20 PolarHBondContact O-N 3.39Å; L18-L21 HydrophobicContact CD2-CD1 3.84Å; L18-L21 WeakPolarHBondContact O-CB 3.44Å; L18-L21 PolarHBondContact O-N 3.41Å; L18-L44 HydrophobicContact CD2-CD1 4.44Å
19K85.6Confident85.8Confident188 Ų18893.9 Ų93.982%0.81749%0.486SS*.THydrogen-bonded Turntrans-65.2-21.6175.8-75.2179.2-179.4-172.90114.1P15 Y17P15-K19 WeakPolarHBondContact O-CB 3.34Å; P15-K19 VanDerWaalsContact O-CG 3.29Å; P15-K19 WeakPolarHBondContact O-CG 3.44Å; P15-K19 PolarHBondContact O-N 2.78Å; Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 2.89Å
20K85.4Confident85.4Confident175 Ų17594 Ų9476%0.76148%0.484SS*.THydrogen-bonded Turntrans-92.3-0.9-180-71.8179.3179.8-173.10113.1A16 Y17 L18A16-K20 WeakPolarHBondContact O-CG 3.46Å; Y17-K20 PolarHBondContact O-N 2.78Å; L18-K20 PolarHBondContact O-N 3.39Å
21L84.6Confident85Confident18 Ų1893.7 Ų93.79%0.09450%0.497CS..SBendtrans-72.7138179.7-69.5175.2000110.6Y17 L18 L23 L41 L44Y17-L21 HydrophobicContact CE1-CD1 4.41Å; Y17-L21 HydrophobicContact CE1-CD2 3.91Å; Y17-L21 HydrophobicContact CE1-CG 4.38Å; L18-L21 HydrophobicContact CD2-CD1 3.84Å; L18-L21 WeakPolarHBondContact O-CB 3.44Å; L18-L21 PolarHBondContact O-N 3.41Å; L21-L23 HydrophobicContact CB-CD1 4.38Å; L21-L23 HydrophobicContact CB-CG 4.07Å; L21-L23 PolarHBondContact O-N 3.25Å; L21-L41 HydrophobicContact CB-CD2 4.25Å; L21-L41 HydrophobicContact CD2-CD2 4.35Å; L21-L44 HydrophobicContact CD1-CD2 3.68Å
22P82.4Confident84.7Confident31 Ų3197 Ų9720%0.20151%0.505CS..  trans-77.569.7176.532.9-34.2000110P24 L33 D37 L41P22-P24 WeakPolarHBondContact O-CD 3.45Å; P22-L33 HydrophobicContact CB-CD2 4.22Å; P22-D37 HydrophobicContact CB-CB 4.03Å; P22-D37 HydrophobicContact CG-CB 3.63Å; P22-L41 HydrophobicContact CG-CD1 4.5Å; P22-L41 HydrophobicContact CG-CD2 4.44Å; P22-L41 HydrophobicContact CG-CG 4.24Å
23L82.6Confident84.5Confident98 Ų9893.8 Ų93.851%0.51349%0.489SS..  trans-88.3115.2177.4-69.4173.2000109.6L21 L41L21-L23 HydrophobicContact CB-CD1 4.38Å; L21-L23 HydrophobicContact CB-CG 4.07Å; L21-L23 PolarHBondContact O-N 3.25Å; L23-L41 HydrophobicContact CD2-CD2 3.74Å; L23-L41 HydrophobicContact CG-CD2 4.38Å
24P82.8Confident84.4Confident33 Ų3391.9 Ų91.921%0.21449%0.485CS..  trans-71.2142.5175.129.2-32.9000110.5P22 T26 F30 L33P22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-T26 PolarHBondContact O-N 2.88Å; P24-F30 HydrophobicContact CG-CB 4.46Å; P24-F30 HydrophobicContact CG-CD1 3.62Å; P24-F30 HydrophobicContact CG-CD2 3.58Å; P24-F30 HydrophobicContact CG-CE1 3.58Å; P24-F30 HydrophobicContact CG-CE2 3.55Å; P24-F30 HydrophobicContact CG-CG 3.62Å; P24-F30 HydrophobicContact CG-CZ 3.54Å; P24-L33 HydrophobicContact CG-CD1 4.44Å
25E83.2Confident84.4Confident201 Ų20193.3 Ų93.394%0.93950%0.497SS*.SBendtrans-75.6-12.4178.9-61.2-176.3167.400113.1
26T85.3Confident84.3Confident92 Ų9293.9 Ų93.956%0.56450%0.502SS*.SBendtrans-130.4151.9-179.463.40000111.6P24 G28 G29P24-T26 PolarHBondContact O-N 2.88Å; T26-G28 PolarHBondContact O-N 3.3Å; T26-G29 PolarHBondContact O-N 2.67Å; T26-G29 PolarHBondContact OG1-N 3.48Å
27I79.1Confident84.2Confident159 Ų15993.3 Ų93.382%0.81549%0.492SS*.G310 helixtrans-60.3-35.1179.9-58.6173.2000111.2G29I27-G29 VanDerWaalsContact C-N 3.28Å; I27-G29 PolarHBondContact O-N 3.47Å
28G82Confident84.3Confident54 Ų5493.2 Ų93.256%0.55749%0.491SS*.G310 helixtrans-72.2-16.5175.900000114.7T26 F30 A31T26-G28 PolarHBondContact O-N 3.3Å; G28-F30 VanDerWaalsContact C-N 3.3Å; G28-F30 PolarHBondContact O-N 2.91Å; G28-A31 PolarHBondContact O-N 3.28Å
29G82.8Confident84.4Confident14 Ų1494.9 Ų94.914%0.14450%0.5CS..G310 helixtrans-71.1-23.2178.900000113.7T26 I27 A31 R32T26-G29 PolarHBondContact O-N 2.67Å; T26-G29 PolarHBondContact OG1-N 3.48Å; I27-G29 VanDerWaalsContact C-N 3.28Å; I27-G29 PolarHBondContact O-N 3.47Å; G29-A31 PolarHBondContact O-N 2.86Å; G29-R32 PolarHBondContact O-N 3.13Å
30F83.1Confident84.5Confident79 Ų7993 Ų9335%0.34649%0.488SS..G310 helixtrans-63.2-28.5175.9-73.3-78.5000113P24 G28 R32 L33 W38P24-F30 HydrophobicContact CG-CB 4.46Å; P24-F30 HydrophobicContact CG-CD1 3.62Å; P24-F30 HydrophobicContact CG-CD2 3.58Å; P24-F30 HydrophobicContact CG-CE1 3.58Å; P24-F30 HydrophobicContact CG-CE2 3.55Å; P24-F30 HydrophobicContact CG-CG 3.62Å; P24-F30 HydrophobicContact CG-CZ 3.54Å; G28-F30 VanDerWaalsContact C-N 3.3Å; G28-F30 PolarHBondContact O-N 2.91Å; F30-R32 PolarHBondContact O-N 2.73Å; F30-L33 HydrophobicContact CD1-CD1 3.69Å; F30-L33 HydrophobicContact CE1-CD1 4.37Å; F30-L33 HydrophobicContact CG-CD1 4.46Å; F30-L33 PolarHBondContact O-N 3.16Å; F30-W38 HydrophobicContact CB-CZ2 4.29Å; F30-W38 HydrophobicContact CD1-CH2 4.25Å; F30-W38 HydrophobicContact CD1-CZ2 4.39Å
31A83.8Confident84.7Confident95 Ų9584.9 Ų84.979%0.78545%0.453SS*.G310 helixtrans-70.8-14.8176.200000113.3G28 G29G28-A31 PolarHBondContact O-N 3.28Å; G29-A31 PolarHBondContact O-N 2.86Å
32R84.3Confident84.9Confident225 Ų22588.7 Ų88.785%0.84947%0.473SS*.G310 helixtrans-101.70.1-177.6-59.9-177.4-179.5-177.7-0.4113.4G29 F30G29-R32 PolarHBondContact O-N 3.13Å; F30-R32 PolarHBondContact O-N 2.73Å
33L85.4Confident85.2Confident32 Ų3290.5 Ų90.517%0.16848%0.484CS..  trans-74.6139.7-179.6-69.9172.3000111.3P22 P24 F30 D37 W38 L41P22-L33 HydrophobicContact CB-CD2 4.22Å; P24-L33 HydrophobicContact CG-CD1 4.44Å; F30-L33 HydrophobicContact CD1-CD1 3.69Å; F30-L33 HydrophobicContact CE1-CD1 4.37Å; F30-L33 HydrophobicContact CG-CD1 4.46Å; F30-L33 PolarHBondContact O-N 3.16Å; L33-D37 HydrophobicContact CB-CB 4.24Å; L33-D37 HydrophobicContact CD2-CB 3.96Å; L33-W38 HydrophobicContact CD1-CZ2 4.39Å; L33-L41 HydrophobicContact CD1-CD1 3.85Å
34T86.6Confident85.5Confident69 Ų6987.9 Ų87.942%0.42347%0.47SS..  trans-75.7163.2174.666.60000111.3S36 D37 W38T34-S36 PolarHBondContact O-N 3.27Å; T34-S36 PolarHBondContact OG1-OG 3.02Å; T34-D37 PolarHBondContact N-OD2 3.02Å; T34-D37 PolarHBondContact O-N 2.67Å; T34-D37 PolarHBondContact OG1-N 2.75Å; T34-D37 PolarHBondContact OG1-OD2 3.45Å; T34-W38 PolarHBondContact O-N 2.9Å
35V86.9Confident85.9Confident117 Ų11789.9 Ų89.971%0.70948%0.479SS*.Hα-helixtrans-57.4-37.4176.4-179.80000111.5D37 W38 L39V35-D37 VanDerWaalsContact C-N 3.34Å; V35-D37 PolarHBondContact O-N 3.39Å; V35-W38 PolarHBondContact O-N 3.17Å; V35-L39 HydrophobicContact CG1-CD1 4.41Å; V35-L39 WeakPolarHBondContact O-CG 3.37Å; V35-L39 PolarHBondContact O-N 2.84Å
36S85.3Confident86.4Confident64 Ų6482.2 Ų82.245%0.44845%0.454SS..Hα-helixtrans-65.4-34.8175.540.70000113.5T34 L39 R40T34-S36 PolarHBondContact O-N 3.27Å; T34-S36 PolarHBondContact OG1-OG 3.02Å; S36-L39 PolarHBondContact O-N 3.39Å; S36-R40 WeakPolarHBondContact O-CG 3.34Å; S36-R40 PolarHBondContact O-N 3.28Å
37D87Confident86.8Confident35 Ų3582.5 Ų82.519%0.18745%0.451CS..Hα-helixtrans-71.9-41.4177.8-63.3-38.5000110.9P22 L33 T34 V35 L39 R40 L41P22-D37 HydrophobicContact CB-CB 4.03Å; P22-D37 HydrophobicContact CG-CB 3.63Å; L33-D37 HydrophobicContact CB-CB 4.24Å; L33-D37 HydrophobicContact CD2-CB 3.96Å; T34-D37 PolarHBondContact N-OD2 3.02Å; T34-D37 PolarHBondContact O-N 2.67Å; T34-D37 PolarHBondContact OG1-N 2.75Å; T34-D37 PolarHBondContact OG1-OD2 3.45Å; V35-D37 VanDerWaalsContact C-N 3.34Å; V35-D37 PolarHBondContact O-N 3.39Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.27Å; D37-R40 PolarHBondContact O-N 3.43Å; D37-L41 WeakPolarHBondContact O-CG 3.22Å; D37-L41 PolarHBondContact O-N 3.31Å; D37-L41 VanDerWaalsContact O-N 3.16Å
38W87.1Confident87.5Confident106 Ų10679.7 Ų79.740%0.40244%0.437SS..Hα-helixtrans-58.1-43.9171.9-85.3106.1000112.3F30 L33 T34 V35 R40 L41 L42 L45F30-W38 HydrophobicContact CB-CZ2 4.29Å; F30-W38 HydrophobicContact CD1-CH2 4.25Å; F30-W38 HydrophobicContact CD1-CZ2 4.39Å; L33-W38 HydrophobicContact CD1-CZ2 4.39Å; T34-W38 PolarHBondContact O-N 2.9Å; V35-W38 PolarHBondContact O-N 3.17Å; W38-R40 VanDerWaalsContact C-N 3.3Å; W38-R40 PolarHBondContact O-N 2.74Å; W38-L41 PolarHBondContact O-N 3.43Å; W38-L41 VanDerWaalsContact O-N 3.14Å; W38-L42 PolarHBondContact O-N 3.05Å; W38-L45 HydrophobicContact CE3-CD1 4.38Å; W38-L45 HydrophobicContact CZ3-CD1 4Å
39L88.1Confident88.1Confident107 Ų10780.2 Ų80.256%0.5644%0.436SS*.Hα-helixtrans-59.7-38.5176.2-76.5169000112.5V35 S36 D37 L41 L42V35-L39 HydrophobicContact CG1-CD1 4.41Å; V35-L39 WeakPolarHBondContact O-CG 3.37Å; V35-L39 PolarHBondContact O-N 2.84Å; S36-L39 PolarHBondContact O-N 3.39Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.27Å; L39-L41 VanDerWaalsContact C-N 3.3Å; L39-L41 PolarHBondContact O-N 2.83Å; L39-L42 HydrophobicContact CD2-CD1 3.79Å; L39-L42 WeakPolarHBondContact O-CB 3.06Å; L39-L42 PolarHBondContact O-N 3Å
40R87.5Confident88.7Confident150 Ų15084.2 Ų84.257%0.56645%0.454SS*.Hα-helixtrans-70.2-26177.4-70.8173.9-179.9176.21.7113.2Y17 S36 D37 W38 P43Y17-R40 PolarHBondContact OH-O 3.05Å; S36-R40 WeakPolarHBondContact O-CG 3.34Å; S36-R40 PolarHBondContact O-N 3.28Å; D37-R40 PolarHBondContact O-N 3.43Å; W38-R40 VanDerWaalsContact C-N 3.3Å; W38-R40 PolarHBondContact O-N 2.74Å; R40-P43 WeakPolarHBondContact O-CD 2.89Å
41L88.9Confident89.3Confident4 Ų485.1 Ų85.12%0.02146%0.462CS..Hα-helixtrans-82-21.5177.2-67.6172.5000113L21 P22 L23 L33 D37 W38 L39 L44 L45L21-L41 HydrophobicContact CB-CD2 4.25Å; L21-L41 HydrophobicContact CD2-CD2 4.35Å; P22-L41 HydrophobicContact CG-CD1 4.5Å; P22-L41 HydrophobicContact CG-CD2 4.44Å; P22-L41 HydrophobicContact CG-CG 4.24Å; L23-L41 HydrophobicContact CD2-CD2 3.74Å; L23-L41 HydrophobicContact CG-CD2 4.38Å; L33-L41 HydrophobicContact CD1-CD1 3.85Å; D37-L41 WeakPolarHBondContact O-CG 3.22Å; D37-L41 PolarHBondContact O-N 3.31Å; D37-L41 VanDerWaalsContact O-N 3.16Å; W38-L41 PolarHBondContact O-N 3.43Å; W38-L41 VanDerWaalsContact O-N 3.14Å; L39-L41 VanDerWaalsContact C-N 3.3Å; L39-L41 PolarHBondContact O-N 2.83Å; L41-L44 PolarHBondContact O-N 2.79Å; L41-L44 VanDerWaalsContact O-N 3.09Å; L41-L45 HydrophobicContact CB-CD1 4.16Å; L41-L45 HydrophobicContact CB-CG 4.43Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.34Å
42L89.5Confident89.9Confident98 Ų9882 Ų8251%0.51344%0.438SS..Hα-helixtrans-50.8-45.4-177.5-74.7177.7000114.6W38 L39 L44 L45 G46W38-L42 PolarHBondContact O-N 3.05Å; L39-L42 HydrophobicContact CD2-CD1 3.79Å; L39-L42 WeakPolarHBondContact O-CB 3.06Å; L39-L42 PolarHBondContact O-N 3Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 3.43Å; L42-G46 PolarHBondContact O-N 2.87Å
43P89.1Confident90.3Very high68 Ų6877.2 Ų77.244%0.44242%0.421SS..Hα-helixtrans-61.9-40.9179.7-23.435000112.5R40 I47R40-P43 WeakPolarHBondContact O-CD 2.89Å; P43-I47 WeakPolarHBondContact O-CD1 3.03Å; P43-I47 VanDerWaalsContact O-CG1 3.25Å; P43-I47 WeakPolarHBondContact O-CG1 3.27Å; P43-I47 PolarHBondContact O-N 2.97Å; P43-I47 VanDerWaalsContact O-N 3.09Å
44L88.4Confident90.8Very high43 Ų4379.9 Ų79.923%0.22544%0.435CS..Hα-helixtrans-68.6-46.7178.6-178.965.2000110.9L18 L21 L41 L42 G46 I47 L48L18-L44 HydrophobicContact CD2-CD1 4.44Å; L21-L44 HydrophobicContact CD1-CD2 3.68Å; L41-L44 PolarHBondContact O-N 2.79Å; L41-L44 VanDerWaalsContact O-N 3.09Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3.37Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 2.88Å; L44-I47 PolarHBondContact O-N 2.76Å; L44-L48 HydrophobicContact CD1-CD1 4.43Å; L44-L48 HydrophobicContact CD1-CG 4.47Å; L44-L48 HydrophobicContact CG-CD1 4.12Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.38Å
45L90.9Very high91.2Very high75 Ų7580.9 Ų80.939%0.39344%0.441SS..Hα-helixtrans-61.8-39.7177.8-67.2176.4000111.7W38 L41 L42 L48 A49W38-L45 HydrophobicContact CE3-CD1 4.38Å; W38-L45 HydrophobicContact CZ3-CD1 4Å; L41-L45 HydrophobicContact CB-CD1 4.16Å; L41-L45 HydrophobicContact CB-CG 4.43Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.34Å; L42-L45 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.41Å; L45-A49 WeakPolarHBondContact O-CB 3.11Å; L45-A49 PolarHBondContact O-N 3.21Å
46G93.7Very high91.5Very high41 Ų4179.7 Ų79.742%0.42343%0.43SS..Hα-helixtrans-61.8-44.2175.500000112.4L42 L44 L50L42-G46 PolarHBondContact O-N 2.87Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 2.88Å; G46-L50 VanDerWaalsContact O-CB 3.25Å; G46-L50 WeakPolarHBondContact O-CB 3.17Å; G46-L50 PolarHBondContact O-N 2.69Å
47I93.1Very high91.6Very high98 Ų9883.5 Ų83.550%0.50344%0.435SS..Hα-helixtrans-64-46.7175.7-66.8165.3000110.7P43 L44 L50 L51P43-I47 WeakPolarHBondContact O-CD1 3.03Å; P43-I47 VanDerWaalsContact O-CG1 3.25Å; P43-I47 WeakPolarHBondContact O-CG1 3.27Å; P43-I47 PolarHBondContact O-N 2.97Å; P43-I47 VanDerWaalsContact O-N 3.09Å; L44-I47 PolarHBondContact O-N 2.76Å; I47-L50 PolarHBondContact O-N 3.12Å; I47-L51 HydrophobicContact CG2-CD1 3.93Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.84Å
48L93.8Very high91.6Very high99 Ų9986.1 Ų86.152%0.51845%0.453SS..Hα-helixtrans-63.4-43.3179.5-69.8175.1000112L44 L45 L51 G52L44-L48 HydrophobicContact CD1-CD1 4.43Å; L44-L48 HydrophobicContact CD1-CG 4.47Å; L44-L48 HydrophobicContact CG-CD1 4.12Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.38Å; L45-L48 PolarHBondContact O-N 3.41Å; L48-L51 PolarHBondContact O-N 3.15Å; L48-G52 PolarHBondContact O-N 3.49Å
49A94.9Very high91.6Very high65 Ų6589.3 Ų89.354%0.53747%0.47SS..Hα-helixtrans-64-41.1175.800000111.7L45 Y53L45-A49 WeakPolarHBondContact O-CB 3.11Å; L45-A49 PolarHBondContact O-N 3.21Å; A49-Y53 VanDerWaalsContact O-CB 3.27Å; A49-Y53 WeakPolarHBondContact O-CB 3.46Å; A49-Y53 PolarHBondContact O-N 2.93Å
50L95.7Very high91.4Very high99 Ų9988.2 Ų88.252%0.51847%0.465SS..Hα-helixtrans-63.7-47.7176.117861.9000111.4G46 I47 Y53 L54G46-L50 VanDerWaalsContact O-CB 3.25Å; G46-L50 WeakPolarHBondContact O-CB 3.17Å; G46-L50 PolarHBondContact O-N 2.69Å; I47-L50 PolarHBondContact O-N 3.12Å; L50-Y53 PolarHBondContact O-N 3.39Å; L50-L54 HydrophobicContact CD1-CD1 4.21Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.16Å; L50-L54 WeakPolarHBondContact O-CB 3.27Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.13Å; L50-L54 PolarHBondContact O-N 3.11Å
51L95.9Very high90.9Very high98 Ų9886.7 Ų86.751%0.51348%0.475SS..Hα-helixtrans-62.2-45.8177.5-70.2174.1000111.2I47 L48 Y53 L54 T55I47-L51 HydrophobicContact CG2-CD1 3.93Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 WeakPolarHBondContact O-CB 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.84Å; L48-L51 PolarHBondContact O-N 3.15Å; L51-Y53 VanDerWaalsContact C-N 3.34Å; L51-Y53 PolarHBondContact O-N 2.98Å; L51-L54 PolarHBondContact O-N 3.42Å; L51-T55 WeakPolarHBondContact O-CG2 3.4Å; L51-T55 PolarHBondContact O-N 3.33Å; L51-T55 PolarHBondContact O-OG1 3.29Å
52G95.6Very high90Very high28 Ų2895.2 Ų95.229%0.28951%0.511SS..Hα-helixtrans-60.4-41.1174.900000112.7L48 T55 I56L48-G52 PolarHBondContact O-N 3.49Å; G52-T55 PolarHBondContact O-OG1 2.94Å; G52-I56 WeakPolarHBondContact O-CB 3.39Å; G52-I56 WeakPolarHBondContact O-CD1 3.4Å; G52-I56 WeakPolarHBondContact O-CG1 3.21Å; G52-I56 PolarHBondContact O-N 3Å
53Y93.7Very high88.4Confident126 Ų126100.2 Ų100.249%0.49453%0.529SS..Hα-helixtrans-63.1-45.9174.1174.4-102.9000111.5A49 L50 L51 T55 I56 R57A49-Y53 VanDerWaalsContact O-CB 3.27Å; A49-Y53 WeakPolarHBondContact O-CB 3.46Å; A49-Y53 PolarHBondContact O-N 2.93Å; L50-Y53 PolarHBondContact O-N 3.39Å; L51-Y53 VanDerWaalsContact C-N 3.34Å; L51-Y53 PolarHBondContact O-N 2.98Å; Y53-T55 VanDerWaalsContact C-N 3.34Å; Y53-T55 PolarHBondContact O-N 3.46Å; Y53-I56 PolarHBondContact O-N 3.31Å; Y53-R57 HydrophobicContact CE1-CB 4.46Å; Y53-R57 HydrophobicContact CE1-CG 4.44Å; Y53-R57 WeakPolarHBondContact O-CA 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.2Å; Y53-R57 PolarHBondContact O-N 2.88Å
54L95.1Very high86.9Confident88 Ų88104.2 Ų104.246%0.46154%0.54SS..Hα-helixtrans-64.6-36.5-178.9-70.9175.4000112.6L50 L51 P58L50-L54 HydrophobicContact CD1-CD1 4.21Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.16Å; L50-L54 WeakPolarHBondContact O-CB 3.27Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.13Å; L50-L54 PolarHBondContact O-N 3.11Å; L51-L54 PolarHBondContact O-N 3.42Å; L54-P58 WeakPolarHBondContact O-CD 3.36Å
55T94.8Very high85.1Confident89 Ų89112 Ų11255%0.54657%0.571SS.*Hα-helixtrans-72.4-35.6176.455.70000112.5L51 G52 Y53 P58 F59L51-T55 WeakPolarHBondContact O-CG2 3.4Å; L51-T55 PolarHBondContact O-N 3.33Å; L51-T55 PolarHBondContact O-OG1 3.29Å; G52-T55 PolarHBondContact O-OG1 2.94Å; Y53-T55 VanDerWaalsContact C-N 3.34Å; Y53-T55 PolarHBondContact O-N 3.46Å; T55-P58 WeakPolarHBondContact O-CD 3.27Å; T55-P58 WeakPolarHBondContact O-CG 3.49Å; T55-F59 WeakPolarHBondContact O-CD2 3.27Å; T55-F59 WeakPolarHBondContact O-CE2 3.49Å
56I93.1Very high83.2Confident92 Ų92115.5 Ų115.547%0.47259%0.586SS.*Hα-helixtrans-84.5-29.8-178.7-63.3167.6000112.1G52 Y53 P58 F59 L60G52-I56 WeakPolarHBondContact O-CB 3.39Å; G52-I56 WeakPolarHBondContact O-CD1 3.4Å; G52-I56 WeakPolarHBondContact O-CG1 3.21Å; G52-I56 PolarHBondContact O-N 3Å; Y53-I56 PolarHBondContact O-N 3.31Å; I56-P58 VanDerWaalsContact C-CD 3.42Å; I56-F59 WeakPolarHBondContact O-CA 3.39Å; I56-F59 WeakPolarHBondContact O-CB 3.14Å; I56-F59 PolarHBondContact O-N 2.91Å; I56-L60 HydrophobicContact CG2-CD1 4.17Å; I56-L60 HydrophobicContact CG2-CD2 3.92Å; I56-L60 HydrophobicContact CG2-CG 3.83Å; I56-L60 PolarHBondContact O-N 3.3Å; I56-L60 VanDerWaalsContact O-N 3.11Å
57R88.9Confident81.2Confident144 Ų144123.5 Ų123.554%0.54361%0.609SS.*THydrogen-bonded Turntrans-47.4-42.8-179.2-177.7-179.1-176.5-161.61.8115.7Y53 F59 L60Y53-R57 HydrophobicContact CE1-CB 4.46Å; Y53-R57 HydrophobicContact CE1-CG 4.44Å; Y53-R57 WeakPolarHBondContact O-CA 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.2Å; Y53-R57 PolarHBondContact O-N 2.88Å; R57-F59 PolarHBondContact O-N 3.22Å; R57-L60 PolarHBondContact O-N 3.26Å
58P85.6Confident79.3Confident90 Ų90123.5 Ų123.558%0.58461%0.61SS**THydrogen-bonded Turntrans-68.1-23.9177.525.8-34.5000113.5L54 T55 I56L54-P58 WeakPolarHBondContact O-CD 3.36Å; T55-P58 WeakPolarHBondContact O-CD 3.27Å; T55-P58 WeakPolarHBondContact O-CG 3.49Å; I56-P58 VanDerWaalsContact C-CD 3.42Å
59F87.2Confident78.2Confident173 Ų173123.5 Ų123.576%0.75962%0.618SS**THydrogen-bonded Turntrans-90.8-16.3179.5-58.3-76.6000113.1T55 I56 R57T55-F59 WeakPolarHBondContact O-CD2 3.27Å; T55-F59 WeakPolarHBondContact O-CE2 3.49Å; I56-F59 WeakPolarHBondContact O-CA 3.39Å; I56-F59 WeakPolarHBondContact O-CB 3.14Å; I56-F59 PolarHBondContact O-N 2.91Å; R57-F59 PolarHBondContact O-N 3.22Å
60L84.8Confident77.8Confident84 Ų84125.9 Ų125.944%0.4462%0.621SS.*SBendtrans-70134173.2-66.2174000110I56 R57 K62I56-L60 HydrophobicContact CG2-CD1 4.17Å; I56-L60 HydrophobicContact CG2-CD2 3.92Å; I56-L60 HydrophobicContact CG2-CG 3.83Å; I56-L60 PolarHBondContact O-N 3.3Å; I56-L60 VanDerWaalsContact O-N 3.11Å; R57-L60 PolarHBondContact O-N 3.26Å; L60-K62 PolarHBondContact O-N 3.48Å
61P75.9Confident77.7Confident119 Ų119126.5 Ų126.577%0.77362%0.624SS**  trans-59.3114.4175.324.1-32.2000108.6K63P61-K63 PolarHBondContact O-N 3.44Å
62K69.4Low77.7Confident182 Ų182122.9 Ų122.979%0.79161%0.605SS**  trans-61.9112.3169.9-68.5-177-177.3175.60106.3L60 K64L60-K62 PolarHBondContact O-N 3.48Å; K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3Å
63K57.1Low77.7Confident204 Ų204126.1 Ų126.189%0.88762%0.615SS**  trans-54.7105.3157.1-73.8-170.6178.4-175.20105P61 K65P61-K63 PolarHBondContact O-N 3.44Å; K63-K65 PolarHBondContact O-N 3.03Å
64K57Low77.7Confident152 Ų152129 Ų12966%0.66163%0.631SS**  trans-54.9111.7172.3-78.8-178.5-179.2177.40104.1K62 Q66 L120K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3Å; K64-Q66 PolarHBondContact O-N 3.04Å; K64-L120 PolarHBondContact NZ-O 3.32Å
65K51.3Low77.8Confident205 Ų205126.1 Ų126.189%0.89162%0.615SS**  trans-59.297.7165.1-103.7-174.2177.2-175.50104K63 K67K63-K65 PolarHBondContact O-N 3.03Å; K65-K67 PolarHBondContact O-N 3.44Å
66Q50.9Low77.9Confident149 Ų149125.4 Ų125.470%0.69661%0.605SS**  trans-56.1106.5178.8-120.7-168.5-52.300105K64 D68K64-Q66 PolarHBondContact O-N 3.04Å; Q66-D68 HydrophobicContact CB-CB 4.23Å; Q66-D68 VanDerWaalsContact CB-OD1 3.25Å; Q66-D68 WeakPolarHBondContact CB-OD1 3.2Å; Q66-D68 WeakPolarHBondContact CB-OD2 3.49Å; Q66-D68 WeakPolarHBondContact CG-OD1 3.36Å; Q66-D68 WeakPolarHBondContact CG-OD2 3.47Å; Q66-D68 PolarHBondContact NE2-OD1 3.14Å; Q66-D68 PolarHBondContact NE2-OD2 2.82Å; Q66-D68 PolarHBondContact O-N 3.49Å; Q66-D68 PolarHBondContact OE1-OD2 3.45Å
67K51.6Low78Confident210 Ų210126.2 Ų126.291%0.91361%0.606SS**  trans-73.955.3169.8-86.6-173172.2-1760107.5K65 S69K65-K67 PolarHBondContact O-N 3.44Å; K67-S69 PolarHBondContact O-N 2.94Å
68D54.1Low78.4Confident98 Ų98127.1 Ų127.152%0.52462%0.616SS.*THydrogen-bonded Turntrans-86.199.3-163.3-77.2-15.7000113.4Q66Q66-D68 HydrophobicContact CB-CB 4.23Å; Q66-D68 VanDerWaalsContact CB-OD1 3.25Å; Q66-D68 WeakPolarHBondContact CB-OD1 3.2Å; Q66-D68 WeakPolarHBondContact CB-OD2 3.49Å; Q66-D68 WeakPolarHBondContact CG-OD1 3.36Å; Q66-D68 WeakPolarHBondContact CG-OD2 3.47Å; Q66-D68 PolarHBondContact NE2-OD1 3.14Å; Q66-D68 PolarHBondContact NE2-OD2 2.82Å; Q66-D68 PolarHBondContact O-N 3.49Å; Q66-D68 PolarHBondContact OE1-OD2 3.45Å
69S68.9Low78.8Confident99 Ų99125.9 Ų125.969%0.69261%0.605SS**THydrogen-bonded Turntrans-161.5-26.9137.5600000110.3K67 I71K67-S69 PolarHBondContact O-N 2.94Å; S69-I71 PolarHBondContact O-N 3.07Å
70L88Confident79.2Confident115 Ų115124.1 Ų124.160%0.60261%0.611SS**  trans-79.698.3-174.6-59.1-178.6000111.2L73L70-L73 HydrophobicContact CB-CD2 4.33Å
71I93.9Very high79.8Confident111 Ų111127.7 Ų127.757%0.56962%0.622SS**SBendtrans-65.5-51.5171-56.8173.7000109.5S69 W102 R103S69-I71 PolarHBondContact O-N 3.07Å; I71-W102 HydrophobicContact CG2-CB 4.5Å; I71-W102 HydrophobicContact CG2-CG 4.11Å; I71-R103 PolarHBondContact O-NH1 2.78Å; I71-R103 PolarHBondContact O-NH2 2.89Å; I71-R103 VanDerWaalsContact O-NH2 3.13Å
72N95.5Very high80.8Confident22 Ų22123 Ų12312%0.11859%0.592CS.*  trans-84.4124.8175.7178.49000110.8K74 I75 K77 W102N72-K74 PolarHBondContact OD1-N 3.32Å; N72-K74 VanDerWaalsContact OD1-N 3.16Å; N72-I75 PolarHBondContact ND2-O 3.31Å; N72-I75 WeakPolarHBondContact OD1-CB 3.34Å; N72-I75 PolarHBondContact OD1-N 3.44Å; N72-K77 WeakPolarHBondContact O-CE 3.38Å; N72-K77 PolarHBondContact O-NZ 3.32Å; N72-W102 HydrophobicContact CB-CB 4.14Å; N72-W102 HydrophobicContact CB-CD2 3.67Å; N72-W102 HydrophobicContact CB-CE3 3.46Å; N72-W102 VanDerWaalsContact CB-CE3 3.46Å; N72-W102 HydrophobicContact CB-CG 4.01Å; N72-W102 HydrophobicContact CB-CZ3 4.06Å; N72-W102 WeakPolarHBondContact ND2-CZ3 3.46Å
73L94.1Very high82.1Confident96 Ų96118.4 Ų118.450%0.50358%0.578SS.*SBendtrans-101.9-29.6179.5-60.7179.5000114L70 K77L70-L73 HydrophobicContact CB-CD2 4.33Å; L73-K77 VanDerWaalsContact C-CE 3.41Å; L73-K77 WeakPolarHBondContact O-CE 3.49Å
74K94.7Very high83.9Confident188 Ų188111.6 Ų111.682%0.81755%0.552SS**SBendtrans-142.7-17.4-165.9-62.6-173.4-179.9-174.10115.7N72 Q76N72-K74 PolarHBondContact OD1-N 3.32Å; N72-K74 VanDerWaalsContact OD1-N 3.16Å; K74-Q76 PolarHBondContact O-N 3.48Å
75I97Very high85.6Confident26 Ų26113.2 Ų113.213%0.13356%0.562CS.*SBendtrans-82.8121.5-170-63.1164.4000108.7N72 K77 W102 F107N72-I75 PolarHBondContact ND2-O 3.31Å; N72-I75 WeakPolarHBondContact OD1-CB 3.34Å; N72-I75 PolarHBondContact OD1-N 3.44Å; I75-K77 PolarHBondContact O-N 3.05Å; I75-W102 HydrophobicContact CB-CE3 4.18Å; I75-W102 HydrophobicContact CB-CZ3 4.5Å; I75-W102 HydrophobicContact CD1-CB 4.24Å; I75-W102 HydrophobicContact CD1-CE3 4.08Å; I75-W102 HydrophobicContact CG2-CE3 4.39Å; I75-W102 HydrophobicContact CG2-CZ3 4.35Å; I75-F107 HydrophobicContact CD1-CB 3.94Å; I75-F107 HydrophobicContact CD1-CD1 4.31Å; I75-F107 HydrophobicContact CD1-CD2 3.72Å; I75-F107 HydrophobicContact CD1-CE2 4.31Å; I75-F107 HydrophobicContact CD1-CG 3.72Å; I75-F107 HydrophobicContact CG2-CD1 3.66Å; I75-F107 HydrophobicContact CG2-CE1 3.97Å; I75-F107 HydrophobicContact CG2-CG 4.16Å
76Q96.1Very high87.4Confident74 Ų74106.4 Ų106.435%0.34654%0.535SS..  trans43.860170.4-60.1177.621.800113.5K74 E78 N79 V82K74-Q76 PolarHBondContact O-N 3.48Å; Q76-E78 VanDerWaalsContact C-N 3.28Å; Q76-E78 PolarHBondContact O-N 3.29Å; Q76-N79 HydrophobicContact CB-CB 4.24Å; Q76-N79 PolarHBondContact O-N 3.43Å; Q76-V82 HydrophobicContact CB-CG2 3.58Å; Q76-V82 WeakPolarHBondContact O-CG2 3.41Å
77K96.4Very high89.2Confident110 Ų110104.4 Ų104.448%0.47853%0.528SS..THydrogen-bonded Turntrans-75.4-20.7-174.2-73.9-60.1-167.3171.70113.8N72 L73 I75N72-K77 WeakPolarHBondContact O-CE 3.38Å; N72-K77 PolarHBondContact O-NZ 3.32Å; L73-K77 VanDerWaalsContact C-CE 3.41Å; L73-K77 WeakPolarHBondContact O-CE 3.49Å; I75-K77 PolarHBondContact O-N 3.05Å
78E96.3Very high90.8Very high163 Ų16399.8 Ų99.876%0.76251%0.513SS*.THydrogen-bonded Turntrans-67.3-24169.161.2-81.6-170.500112.6Q76Q76-E78 VanDerWaalsContact C-N 3.28Å; Q76-E78 PolarHBondContact O-N 3.29Å
79N95.1Very high92.1Very high64 Ų64101.7 Ų101.734%0.34252%0.519SS..SBendtrans-89.8118.8177.8-175.4-13.5000110.1Q76 K81 V82Q76-N79 HydrophobicContact CB-CB 4.24Å; Q76-N79 PolarHBondContact O-N 3.43Å; N79-K81 PolarHBondContact ND2-O 3.4Å; N79-K81 PolarHBondContact O-N 3.19Å; N79-K81 PolarHBondContact OD1-N 3.37Å; N79-K81 PolarHBondContact OD1-O 3.28Å; N79-V82 HydrophobicContact CB-CG2 4.01Å
80P95.1Very high92.7Very high136 Ų136102.5 Ų102.588%0.88352%0.515SS*.SBendtrans-63.1-24.4179.826.2-35.1000113.1
81K96.5Very high92.4Very high158 Ų15897.6 Ų97.669%0.68749%0.489SS*.SBendtrans-147.399.4177.3-172.7-175.768.2176.30110.7N79 V83N79-K81 PolarHBondContact ND2-O 3.4Å; N79-K81 PolarHBondContact O-N 3.19Å; N79-K81 PolarHBondContact OD1-N 3.37Å; N79-K81 PolarHBondContact OD1-O 3.28Å; K81-V83 HydrophobicContact CD-CG2 4.24Å; K81-V83 HydrophobicContact CG-CG2 4.05Å; K81-V83 PolarHBondContact O-N 3.21Å
82V97.3Very high91.3Very high22 Ų22100 Ų10013%0.13350%0.504CS..  trans-74.6118.5176.9178.30000110.2Q76 N79 W102 F107Q76-V82 HydrophobicContact CB-CG2 3.58Å; Q76-V82 WeakPolarHBondContact O-CG2 3.41Å; N79-V82 HydrophobicContact CB-CG2 4.01Å; V82-W102 HydrophobicContact CB-CH2 3.74Å; V82-W102 HydrophobicContact CB-CZ3 3.86Å; V82-W102 HydrophobicContact CG1-CH2 3.97Å; V82-W102 HydrophobicContact CG1-CZ3 3.87Å; V82-W102 HydrophobicContact CG2-CZ3 4.27Å; V82-F107 HydrophobicContact CG1-CE1 4Å
83V96.9Very high90.3Very high84 Ų84107.8 Ų107.851%0.50953%0.531SS..  trans-127.1142.7176.9-177.50000108.2K81K81-V83 HydrophobicContact CD-CG2 4.24Å; K81-V83 HydrophobicContact CG-CG2 4.05Å; K81-V83 PolarHBondContact O-N 3.21Å
84N95Very high89.5Confident62 Ų62107 Ų10733%0.33253%0.53SS..  trans-124.4120.5174.8-63.2103.2000109.2F107 P108N84-F107 WeakPolarHBondContact OD1-CE1 3.45Å; N84-P108 HydrophobicContact CB-CB 3.93Å; N84-P108 HydrophobicContact CB-CG 4.11Å
85E93.2Very high89Confident186 Ų186101.9 Ų101.987%0.86951%0.512SS*.  trans-92.6140173.8-67.1173.2-166.800109
86I89Confident88.8Confident62 Ų62101.7 Ų101.732%0.31851%0.512SS..  trans-140118.3-176-61.5149.7000106.7L91 Y98I86-L91 HydrophobicContact CG2-CD2 4.04Å; I86-Y98 HydrophobicContact CD1-CD1 3.56Å; I86-Y98 HydrophobicContact CD1-CD2 4.11Å; I86-Y98 HydrophobicContact CD1-CE1 3.21Å; I86-Y98 HydrophobicContact CD1-CE2 3.8Å; I86-Y98 HydrophobicContact CD1-CG 3.99Å; I86-Y98 HydrophobicContact CG1-CE1 3.76Å; I86-Y98 HydrophobicContact CG2-CE2 4.42Å; I86-Y98 WeakPolarHBondContact CG2-OH 3.25Å
87D87.8Confident88.7Confident106 Ų106100.2 Ų100.257%0.56751%0.509SS*.  trans-76.9130.6170.2-65.1-41.7000109.6E89 D90D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 PolarHBondContact O-N 3.19Å; D87-D90 HydrophobicContact CB-CB 4.34Å; D87-D90 PolarHBondContact O-N 3.47Å
88I85.3Confident88.7Confident114 Ų11496.4 Ų96.459%0.58549%0.492SS*.SBendtrans-73.8-29.2-172.8-60.4172.6000109.9D90 L91I88-D90 VanDerWaalsContact C-N 3.35Å; I88-L91 HydrophobicContact CG2-CD1 4.15Å; I88-L91 WeakPolarHBondContact O-CB 3.48Å; I88-L91 WeakPolarHBondContact O-CG 3.25Å; I88-L91 PolarHBondContact O-N 3.41Å
89E82.8Confident88.8Confident138 Ų13889.3 Ų89.365%0.64546%0.461SS*.THydrogen-bonded Turntrans-63.1-42.2178.6-65.373.8-162.300111.1D87 L91 K132D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 PolarHBondContact O-N 3.19Å; E89-L91 PolarHBondContact O-N 3.46Å; E89-K132 PolarHBondContact O-NZ 3.09Å
90D80.9Confident88.9Confident116 Ų11693.3 Ų93.362%0.6247%0.471SS*.THydrogen-bonded Turntrans-76.50.5-177.3-74.2-5.5000113.9D87 I88 N92D87-D90 HydrophobicContact CB-CB 4.34Å; D87-D90 PolarHBondContact O-N 3.47Å; I88-D90 VanDerWaalsContact C-N 3.35Å; D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-N 3.26Å
91L82.1Confident89Confident11 Ų1187.2 Ų87.26%0.05843%0.431CS..  trans-6888.9171.9-63.4174.9000109.7I86 I88 E89 R93 V96 Y98 L130I86-L91 HydrophobicContact CG2-CD2 4.04Å; I88-L91 HydrophobicContact CG2-CD1 4.15Å; I88-L91 WeakPolarHBondContact O-CB 3.48Å; I88-L91 WeakPolarHBondContact O-CG 3.25Å; I88-L91 PolarHBondContact O-N 3.41Å; E89-L91 PolarHBondContact O-N 3.46Å; L91-R93 PolarHBondContact O-N 2.81Å; L91-R93 VanDerWaalsContact O-N 3.16Å; L91-V96 HydrophobicContact CD2-CB 4.13Å; L91-V96 HydrophobicContact CD2-CG2 3.86Å; L91-Y98 HydrophobicContact CD2-CE2 4.43Å; L91-L130 HydrophobicContact CD1-CB 4.29Å; L91-L130 HydrophobicContact CD1-CD1 4.42Å
92N70.7Confident89.1Confident163 Ų16382.7 Ų82.787%0.87241%0.41SS*.  trans-64.9-12.8177.4-75.9-21.1000113.7D90D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-N 3.26Å
93R74.3Confident89.1Confident185 Ų18585 Ų8570%0.69842%0.416SS*.SBendtrans-117.1145.2-179.4-63.1-175179.21360.9110.4L91 N95 V96L91-R93 PolarHBondContact O-N 2.81Å; L91-R93 VanDerWaalsContact O-N 3.16Å; R93-N95 PolarHBondContact O-N 3.42Å; R93-V96 HydrophobicContact CB-CG2 3.94Å
94T78.1Confident89.1Confident79 Ų7981.3 Ų81.349%0.48539%0.394SS..SBendtrans-59.2-31.3174.939.50000112.9K131 K132 I134T94-K131 VanDerWaalsContact O-CA 3.31Å; T94-K131 WeakPolarHBondContact O-CA 3.36Å; T94-K132 PolarHBondContact O-N 3.31Å; T94-I134 HydrophobicContact CG2-CD1 3.95Å
95N84.2Confident89.2Confident81 Ų8187.4 Ų87.443%0.43342%0.418SS..EExtended strand (participates in β ladder)trans-134.1123175.6-59.6-56.7000110.1R93 L130 K131R93-N95 PolarHBondContact O-N 3.42Å; N95-L130 WeakPolarHBondContact CA-O 3.49Å; N95-K131 VanDerWaalsContact OD1-CD 3.31Å; N95-K131 WeakPolarHBondContact OD1-CD 3.49Å; N95-K131 WeakPolarHBondContact OD1-CG 3.27Å
96V91.1Very high89.3Confident21 Ų2182.3 Ų82.313%0.12740%0.399CS..EExtended strand (participates in β ladder)trans-122131.6172-174.80000109.1L91 R93 Y98 L130L91-V96 HydrophobicContact CD2-CB 4.13Å; L91-V96 HydrophobicContact CD2-CG2 3.86Å; R93-V96 HydrophobicContact CB-CG2 3.94Å; V96-Y98 HydrophobicContact CB-CE2 3.99Å; V96-Y98 HydrophobicContact CG1-CD2 4.15Å; V96-Y98 HydrophobicContact CG1-CE1 4.45Å; V96-Y98 HydrophobicContact CG1-CE2 3.45Å; V96-Y98 VanDerWaalsContact CG1-CE2 3.45Å; V96-L130 PolarHBondContact N-O 2.9Å; V96-L130 PolarHBondContact O-N 3.39Å
97C94.6Very high89.7Confident43 Ų4381.2 Ų81.229%0.29139%0.392SS..EExtended strand (participates in β ladder)trans-105.2123.5-179.4-60.60000109.6V109 C110 P127 L128C97-V109 WeakPolarHBondContact O-CG1 3.36Å; C97-C110 HydrophobicContact CB-CB 3.87Å; C97-C110 WeakPolarHBondContact O-CB 3.32Å; C97-C110 PolarHBondContact O-N 3.41Å; C97-P127 HydrophobicContact CB-CB 4.13Å; C97-P127 HydrophobicContact CB-CG 4.46Å; C97-L128 CarbonylContact C-O 3.51Å; C97-L128 WeakPolarHBondContact CA-O 3.27Å
98Y96.4Very high90.1Very high30 Ų3077.9 Ų77.912%0.11838%0.377CS..EExtended strand (participates in β ladder)trans-103.9142.4176.6-70.9-82.5000111.7I86 L91 V96 P108 V109 P127 L128 L130I86-Y98 HydrophobicContact CD1-CD1 3.56Å; I86-Y98 HydrophobicContact CD1-CD2 4.11Å; I86-Y98 HydrophobicContact CD1-CE1 3.21Å; I86-Y98 HydrophobicContact CD1-CE2 3.8Å; I86-Y98 HydrophobicContact CD1-CG 3.99Å; I86-Y98 HydrophobicContact CG1-CE1 3.76Å; I86-Y98 HydrophobicContact CG2-CE2 4.42Å; I86-Y98 WeakPolarHBondContact CG2-OH 3.25Å; L91-Y98 HydrophobicContact CD2-CE2 4.43Å; V96-Y98 HydrophobicContact CB-CE2 3.99Å; V96-Y98 HydrophobicContact CG1-CD2 4.15Å; V96-Y98 HydrophobicContact CG1-CE1 4.45Å; V96-Y98 HydrophobicContact CG1-CE2 3.45Å; V96-Y98 VanDerWaalsContact CG1-CE2 3.45Å; Y98-P108 CarbonylContact C-O 3.53Å; Y98-P108 WeakPolarHBondContact CA-O 3.47Å; Y98-P108 HydrophobicContact CD1-CB 4.18Å; Y98-P108 HydrophobicContact CD1-CG 4.39Å; Y98-P108 WeakPolarHBondContact CD1-O 3.42Å; Y98-P108 HydrophobicContact CE1-CG 4.35Å; Y98-V109 HydrophobicContact CE1-CG2 4.27Å; Y98-P127 CarbonylContact O-C 3.59Å; Y98-P127 WeakPolarHBondContact O-CA 3.39Å; Y98-P127 WeakPolarHBondContact O-CB 3.3Å; Y98-L128 PolarHBondContact N-O 2.92Å; Y98-L128 PolarHBondContact O-N 2.72Å; Y98-L130 HydrophobicContact CD2-CD1 3.9Å; Y98-L130 HydrophobicContact CD2-CG 4.08Å; Y98-L130 HydrophobicContact CE2-CD1 3.68Å; Y98-L130 HydrophobicContact CE2-CG 4.2Å
99C98.1Very high90.6Very high15 Ų1575.1 Ų75.110%0.10137%0.365CS..  trans-73.7132.4-175.9-175.10000111.1C101 W102 F107 P108C99-C101 PolarHBondContact SG-SG 3.09Å; C99-W102 PolarHBondContact SG-N 3.39Å; C99-F107 HydrophobicContact CB-CD2 3.82Å; C99-F107 HydrophobicContact CB-CE2 4.14Å; C99-P108 WeakPolarHBondContact CB-O 3.41Å; C99-P108 PolarHBondContact N-O 2.82Å
100R98Very high91.3Very high148 Ų14869.6 Ų69.656%0.55834%0.341SS*.SBendtrans-116.1-5.3168.6-59.9-168.8-64.3173.2-1.2113.7G126 L128R100-G126 PolarHBondContact NE-O 3.31Å; R100-G126 PolarHBondContact NH2-O 3.41Å; R100-G126 VanDerWaalsContact NH2-O 3.14Å; R100-L128 HydrophobicContact CG-CB 4.38Å
101C97.3Very high92Very high7 Ų766.6 Ų66.65%0.04733%0.325CS..SBendtrans-93.7-8.8-175.970.10000114.3C99 R103 H114 V125C99-C101 PolarHBondContact SG-SG 3.09Å; C101-R103 PolarHBondContact O-N 2.9Å; C101-R103 VanDerWaalsContact O-N 3.17Å; C101-R103 PolarHBondContact O-NH1 3.35Å; C101-H114 HydrophobicContact CB-CB 3.94Å; C101-V125 HydrophobicContact CB-CB 4.5Å; C101-V125 HydrophobicContact CB-CG2 3.7Å
102W97.8Very high92.8Very high63 Ų6373.1 Ų73.124%0.23935%0.353CS..SBendtrans55.929.2-176.1-59.380000114.3I71 N72 I75 V82 C99 F107I71-W102 HydrophobicContact CG2-CB 4.5Å; I71-W102 HydrophobicContact CG2-CG 4.11Å; N72-W102 HydrophobicContact CB-CB 4.14Å; N72-W102 HydrophobicContact CB-CD2 3.67Å; N72-W102 HydrophobicContact CB-CE3 3.46Å; N72-W102 VanDerWaalsContact CB-CE3 3.46Å; N72-W102 HydrophobicContact CB-CG 4.01Å; N72-W102 HydrophobicContact CB-CZ3 4.06Å; N72-W102 WeakPolarHBondContact ND2-CZ3 3.46Å; I75-W102 HydrophobicContact CB-CE3 4.18Å; I75-W102 HydrophobicContact CB-CZ3 4.5Å; I75-W102 HydrophobicContact CD1-CB 4.24Å; I75-W102 HydrophobicContact CD1-CE3 4.08Å; I75-W102 HydrophobicContact CG2-CE3 4.39Å; I75-W102 HydrophobicContact CG2-CZ3 4.35Å; V82-W102 HydrophobicContact CB-CH2 3.74Å; V82-W102 HydrophobicContact CB-CZ3 3.86Å; V82-W102 HydrophobicContact CG1-CH2 3.97Å; V82-W102 HydrophobicContact CG1-CZ3 3.87Å; V82-W102 HydrophobicContact CG2-CZ3 4.27Å; C99-W102 PolarHBondContact SG-N 3.39Å; W102-F107 HydrophobicContact CD2-CE2 4.32Å; W102-F107 HydrophobicContact CD2-CZ 4.4Å; W102-F107 HydrophobicContact CE3-CE2 4.18Å; W102-F107 AromaticContact CE3-CZ 4Å; W102-F107 HydrophobicContact CE3-CZ 4Å; W102-F107 HydrophobicContact CH2-CZ 4.2Å; W102-F107 HydrophobicContact CZ3-CE1 4.31Å; W102-F107 AromaticContact CZ3-CZ 3.9Å; W102-F107 HydrophobicContact CZ3-CZ 3.9Å
103R97.5Very high94.1Very high70 Ų7066.8 Ų66.826%0.26432%0.321SS..  trans-114.2-8175.3-59.5-67.5173.4-88.8-2.8113.2I71 C101 S113 H117I71-R103 PolarHBondContact O-NH1 2.78Å; I71-R103 PolarHBondContact O-NH2 2.89Å; I71-R103 VanDerWaalsContact O-NH2 3.13Å; C101-R103 PolarHBondContact O-N 2.9Å; C101-R103 VanDerWaalsContact O-N 3.17Å; C101-R103 PolarHBondContact O-NH1 3.35Å; R103-S113 WeakPolarHBondContact O-CB 3.44Å; R103-S113 PolarHBondContact O-OG 3.44Å; R103-H117 HydrophobicContact CG-CB 4.14Å
104S97.7Very high95.2Very high7 Ų759.3 Ų59.35%0.04929%0.294CS..  trans-68.9137.5-175.4-166.90000112.1T106 V109 D111S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact OG-N 2.88Å; S104-T106 PolarHBondContact OG-OG1 2.65Å; S104-V109 WeakPolarHBondContact CB-O 3.34Å; S104-V109 PolarHBondContact OG-O 2.94Å; S104-D111 VanDerWaalsContact CA-OD1 3.27Å; S104-D111 WeakPolarHBondContact CA-OD1 3.36Å; S104-D111 VanDerWaalsContact CB-OD1 3.31Å; S104-D111 WeakPolarHBondContact CB-OD1 3.39Å; S104-D111 PolarHBondContact OG-N 3.16Å; S104-D111 PolarHBondContact OG-OD1 2.96Å; S104-D111 PolarHBondContact OG-OD2 2.98Å
105K96.7Very high96.1Very high191 Ų19159.4 Ų59.483%0.8329%0.291SS*.THydrogen-bonded Turntrans-76.2-26.8173-62.4-179.4-178.5179.20112D111K105-D111 PolarHBondContact N-OD2 3.45Å
106T95.9Very high96.7Very high78 Ų7862.1 Ų62.148%0.47930%0.299SS..THydrogen-bonded Turntrans-101.632177.359.50000111.5S104 V109S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact OG-N 2.88Å; S104-T106 PolarHBondContact OG-OG1 2.65Å; T106-V109 WeakPolarHBondContact O-CB 3.32Å; T106-V109 PolarHBondContact O-N 3.38Å; T106-V109 PolarHBondContact OG1-O 2.88Å
107F96.9Very high96.9Very high39 Ų3962.6 Ų62.617%0.17130%0.3CS..THydrogen-bonded Turntrans-54.4130.8-179.7-172-90.9000110.1I75 V82 N84 C99 W102I75-F107 HydrophobicContact CD1-CB 3.94Å; I75-F107 HydrophobicContact CD1-CD1 4.31Å; I75-F107 HydrophobicContact CD1-CD2 3.72Å; I75-F107 HydrophobicContact CD1-CE2 4.31Å; I75-F107 HydrophobicContact CD1-CG 3.72Å; I75-F107 HydrophobicContact CG2-CD1 3.66Å; I75-F107 HydrophobicContact CG2-CE1 3.97Å; I75-F107 HydrophobicContact CG2-CG 4.16Å; V82-F107 HydrophobicContact CG1-CE1 4Å; N84-F107 WeakPolarHBondContact OD1-CE1 3.45Å; C99-F107 HydrophobicContact CB-CD2 3.82Å; C99-F107 HydrophobicContact CB-CE2 4.14Å; W102-F107 HydrophobicContact CD2-CE2 4.32Å; W102-F107 HydrophobicContact CD2-CZ 4.4Å; W102-F107 HydrophobicContact CE3-CE2 4.18Å; W102-F107 AromaticContact CE3-CZ 4Å; W102-F107 HydrophobicContact CE3-CZ 4Å; W102-F107 HydrophobicContact CH2-CZ 4.2Å; W102-F107 HydrophobicContact CZ3-CE1 4.31Å; W102-F107 AromaticContact CZ3-CZ 3.9Å; W102-F107 HydrophobicContact CZ3-CZ 3.9Å
108P96.1Very high97Very high37 Ų3762 Ų6224%0.2429%0.294CS..THydrogen-bonded Turncis-88.6-4.618.634.6-37.4000116.4N84 Y98 C99N84-P108 HydrophobicContact CB-CB 3.93Å; N84-P108 HydrophobicContact CB-CG 4.11Å; Y98-P108 CarbonylContact C-O 3.53Å; Y98-P108 WeakPolarHBondContact CA-O 3.47Å; Y98-P108 HydrophobicContact CD1-CB 4.18Å; Y98-P108 HydrophobicContact CD1-CG 4.39Å; Y98-P108 WeakPolarHBondContact CD1-O 3.42Å; Y98-P108 HydrophobicContact CE1-CG 4.35Å; C99-P108 WeakPolarHBondContact CB-O 3.41Å; C99-P108 PolarHBondContact N-O 2.82Å
109V95.6Very high97Very high56 Ų5667.8 Ų67.834%0.33932%0.322SS..BIsolated β-bridgetrans-73.8149179.9-178.50000110.4C97 Y98 S104 T106C97-V109 WeakPolarHBondContact O-CG1 3.36Å; Y98-V109 HydrophobicContact CE1-CG2 4.27Å; S104-V109 WeakPolarHBondContact CB-O 3.34Å; S104-V109 PolarHBondContact OG-O 2.94Å; T106-V109 WeakPolarHBondContact O-CB 3.32Å; T106-V109 PolarHBondContact O-N 3.38Å; T106-V109 PolarHBondContact OG1-O 2.88Å
110C97Very high96.7Very high21 Ų2172 Ų7214%0.14234%0.343CS..  trans-84.9118.3176175.70000112C97 K112 H114 P127C97-C110 HydrophobicContact CB-CB 3.87Å; C97-C110 WeakPolarHBondContact O-CB 3.32Å; C97-C110 PolarHBondContact O-N 3.41Å; C110-K112 PolarHBondContact SG-N 3.22Å; C110-K112 VanDerWaalsContact SG-N 3.41Å; C110-H114 VanDerWaalsContact SG-CE1 3.55Å; C110-H114 PolarHBondContact SG-ND1 3.26Å; C110-H114 VanDerWaalsContact SG-ND1 3.39Å; C110-P127 HydrophobicContact CB-CB 3.76Å
111D97.1Very high96.3Very high53 Ų5368.7 Ų68.728%0.28334%0.339SS..  trans-99.317.1173.867.2-12.5000113.7S104 K105 S113S104-D111 VanDerWaalsContact CA-OD1 3.27Å; S104-D111 WeakPolarHBondContact CA-OD1 3.36Å; S104-D111 VanDerWaalsContact CB-OD1 3.31Å; S104-D111 WeakPolarHBondContact CB-OD1 3.39Å; S104-D111 PolarHBondContact OG-N 3.16Å; S104-D111 PolarHBondContact OG-OD1 2.96Å; S104-D111 PolarHBondContact OG-OD2 2.98Å; K105-D111 PolarHBondContact N-OD2 3.45Å; D111-S113 VanDerWaalsContact C-N 3.26Å; D111-S113 PolarHBondContact O-N 2.86Å; D111-S113 WeakPolarHBondContact OD1-CB 3.3Å; D111-S113 PolarHBondContact OD1-N 3.37Å; D111-S113 PolarHBondContact OD1-OG 3.37Å; D111-S113 PolarHBondContact OD2-OG 3.47Å
112K97.1Very high96.1Very high149 Ų14971.9 Ų71.965%0.64837%0.373SS*.SBendtrans68.611.5-175.3-50.5176.1-179.6177.40115.5C110 H114 I115C110-K112 PolarHBondContact SG-N 3.22Å; C110-K112 VanDerWaalsContact SG-N 3.41Å; K112-H114 PolarHBondContact O-N 2.93Å; K112-I115 HydrophobicContact CB-CD1 4Å; K112-I115 HydrophobicContact CB-CG1 4.48Å; K112-I115 PolarHBondContact O-N 2.98Å
113S97.9Very high95.9Very high29 Ų2972 Ų7220%0.20338%0.378CS..Hα-helixtrans-58.6-17.9174.4-67.70000114.5R103 D111 I115 H117R103-S113 WeakPolarHBondContact O-CB 3.44Å; R103-S113 PolarHBondContact O-OG 3.44Å; D111-S113 VanDerWaalsContact C-N 3.26Å; D111-S113 PolarHBondContact O-N 2.86Å; D111-S113 WeakPolarHBondContact OD1-CB 3.3Å; D111-S113 PolarHBondContact OD1-N 3.37Å; D111-S113 PolarHBondContact OD1-OG 3.37Å; D111-S113 PolarHBondContact OD2-OG 3.47Å; S113-I115 VanDerWaalsContact C-N 3.28Å; S113-I115 PolarHBondContact O-N 3.2Å; S113-H117 PolarHBondContact O-N 2.88Å
114H97.4Very high95.9Very high28 Ų2875.5 Ų75.513%0.1340%0.402CS..Hα-helixtrans-64.1-29174.362.7-92.2000113.2C101 C110 K112 H117 N118 V125C101-H114 HydrophobicContact CB-CB 3.94Å; C110-H114 VanDerWaalsContact SG-CE1 3.55Å; C110-H114 PolarHBondContact SG-ND1 3.26Å; C110-H114 VanDerWaalsContact SG-ND1 3.39Å; K112-H114 PolarHBondContact O-N 2.93Å; H114-H117 PolarHBondContact O-N 3.03Å; H114-N118 WeakPolarHBondContact O-CB 3.42Å; H114-N118 PolarHBondContact O-N 3.48Å; H114-N118 PolarHBondContact O-OD1 2.95Å; H114-V125 HydrophobicContact CB-CG2 4.35Å
115I97.9Very high95.9Very high81 Ų8177.2 Ų77.242%0.41541%0.412SS..Hα-helixtrans-61.5-53.8179.5-60.7176.3000109.7K112 S113 H117 N118 E119K112-I115 HydrophobicContact CB-CD1 4Å; K112-I115 HydrophobicContact CB-CG1 4.48Å; K112-I115 PolarHBondContact O-N 2.98Å; S113-I115 VanDerWaalsContact C-N 3.28Å; S113-I115 PolarHBondContact O-N 3.2Å; I115-H117 VanDerWaalsContact C-N 3.28Å; I115-H117 PolarHBondContact O-N 3.34Å; I115-N118 PolarHBondContact O-N 3.02Å; I115-E119 WeakPolarHBondContact O-CG 3.34Å; I115-E119 PolarHBondContact O-N 3.44Å
116K97.3Very high96Very high139 Ų13969 Ų6960%0.60438%0.382SS*.Hα-helixtrans-61.4-36.4177.3-177.2173.6-178.1172.50112.5L120K116-L120 HydrophobicContact CG-CD1 3.88Å; K116-L120 HydrophobicContact CG-CG 4.4Å; K116-L120 WeakPolarHBondContact O-CB 3.22Å; K116-L120 WeakPolarHBondContact O-CG 3.35Å; K116-L120 PolarHBondContact O-N 3.29Å; K116-L120 VanDerWaalsContact O-N 3.15Å
117H95.8Very high96Very high30 Ų3066.8 Ų66.814%0.13937%0.369CS..Hα-helixtrans-61.9-53.5174.7172.385.8000110.5R103 S113 H114 I115 E119 L120 T121 D123R103-H117 HydrophobicContact CG-CB 4.14Å; S113-H117 PolarHBondContact O-N 2.88Å; H114-H117 PolarHBondContact O-N 3.03Å; I115-H117 VanDerWaalsContact C-N 3.28Å; I115-H117 PolarHBondContact O-N 3.34Å; H117-E119 PolarHBondContact O-N 3.05Å; H117-L120 PolarHBondContact O-N 3.48Å; H117-L120 VanDerWaalsContact O-N 3.12Å; H117-T121 PolarHBondContact O-N 2.94Å; H117-T121 PolarHBondContact O-OG1 2.9Å; H117-D123 IonicContact CD2-OD2 3.54Å; H117-D123 IonicContact CE1-OD2 3.89Å; H117-D123 IonicContact NE2-OD2 2.78Å; H117-D123 PolarHBondContact NE2-OD2 3.2Å
118N96.6Very high96Very high32 Ų3269 Ų6917%0.17138%0.382CS..Hα-helixtrans-56.8-45.2178.8-69.7-4.8000112.3H114 I115 L120 T121 G122 D123 V125H114-N118 WeakPolarHBondContact O-CB 3.42Å; H114-N118 PolarHBondContact O-N 3.48Å; H114-N118 PolarHBondContact O-OD1 2.95Å; I115-N118 PolarHBondContact O-N 3.02Å; N118-L120 VanDerWaalsContact C-N 3.34Å; N118-L120 PolarHBondContact O-N 3.27Å; N118-T121 PolarHBondContact O-N 3.49Å; N118-G122 VanDerWaalsContact O-CA 3.27Å; N118-G122 WeakPolarHBondContact O-CA 3.29Å; N118-G122 PolarHBondContact O-N 3.18Å; N118-D123 WeakPolarHBondContact CB-O 3.29Å; N118-D123 PolarHBondContact O-N 3.34Å; N118-D123 PolarHBondContact OD1-O 3.44Å; N118-V125 PolarHBondContact ND2-O 3.08Å; N118-V125 WeakPolarHBondContact OD1-CG2 3.29Å; N118-V125 PolarHBondContact OD1-N 3.02Å
119E95.3Very high95.9Very high150 Ų15071.3 Ų71.370%0.70139%0.392SS*.Hα-helixtrans-59.5-42.1176.2-72.9170.6179.400112.7I115 H117I115-E119 WeakPolarHBondContact O-CG 3.34Å; I115-E119 PolarHBondContact O-N 3.44Å; H117-E119 PolarHBondContact O-N 3.05Å
120L92.6Very high95.7Very high104 Ų10471.1 Ų71.155%0.54539%0.388SS..Hα-helixtrans-79.1-31.1-176.4-70.6174.6000113.2K64 K116 H117 N118K64-L120 PolarHBondContact NZ-O 3.32Å; K116-L120 HydrophobicContact CG-CD1 3.88Å; K116-L120 HydrophobicContact CG-CG 4.4Å; K116-L120 WeakPolarHBondContact O-CB 3.22Å; K116-L120 WeakPolarHBondContact O-CG 3.35Å; K116-L120 PolarHBondContact O-N 3.29Å; K116-L120 VanDerWaalsContact O-N 3.15Å; H117-L120 PolarHBondContact O-N 3.48Å; H117-L120 VanDerWaalsContact O-N 3.12Å; N118-L120 VanDerWaalsContact C-N 3.34Å; N118-L120 PolarHBondContact O-N 3.27Å
121T89.9Confident95.3Very high79 Ų7977.5 Ų77.549%0.48541%0.414SS..Hα-helixtrans-104.2-19-174.159.80000113.7H117 N118 D123H117-T121 PolarHBondContact O-N 2.94Å; H117-T121 PolarHBondContact O-OG1 2.9Å; N118-T121 PolarHBondContact O-N 3.49Å; T121-D123 VanDerWaalsContact C-N 3.29Å; T121-D123 WeakPolarHBondContact OG1-CB 3.46Å; T121-D123 PolarHBondContact OG1-N 3.24Å
122G91.9Very high94.7Very high73 Ų7379.7 Ų79.775%0.75342%0.421SS*.  trans75.618.1-167.400000113.4N118N118-G122 VanDerWaalsContact O-CA 3.27Å; N118-G122 WeakPolarHBondContact O-CA 3.29Å; N118-G122 PolarHBondContact O-N 3.18Å
123D94.8Very high93.8Very high65 Ų6580.7 Ų80.735%0.34843%0.425SS..  trans-81.6170.3178.5-164.10.2000111.3H117 N118 T121H117-D123 IonicContact CD2-OD2 3.54Å; H117-D123 IonicContact CE1-OD2 3.89Å; H117-D123 IonicContact NE2-OD2 2.78Å; H117-D123 PolarHBondContact NE2-OD2 3.2Å; N118-D123 WeakPolarHBondContact CB-O 3.29Å; N118-D123 PolarHBondContact O-N 3.34Å; N118-D123 PolarHBondContact OD1-O 3.44Å; T121-D123 VanDerWaalsContact C-N 3.29Å; T121-D123 WeakPolarHBondContact OG1-CB 3.46Å; T121-D123 PolarHBondContact OG1-N 3.24Å
124N96.9Very high92.6Very high144 Ų14485.6 Ų85.677%0.7745%0.448SS*.  trans-132.525.3-176.169.4-13.1000113.9
125V97.6Very high91Very high44 Ų4494 Ų9427%0.26749%0.493SS..  trans-69.1150.1179.8-67.60000112.6C101 H114 N118C101-V125 HydrophobicContact CB-CB 4.5Å; C101-V125 HydrophobicContact CB-CG2 3.7Å; H114-V125 HydrophobicContact CB-CG2 4.35Å; N118-V125 PolarHBondContact ND2-O 3.08Å; N118-V125 WeakPolarHBondContact OD1-CG2 3.29Å; N118-V125 PolarHBondContact OD1-N 3.02Å
126G97.6Very high90.7Very high19 Ų1994.7 Ų94.720%0.19650%0.497CS..  trans-145.7168.9177.300000112.8R100R100-G126 PolarHBondContact NE-O 3.31Å; R100-G126 PolarHBondContact NH2-O 3.41Å; R100-G126 VanDerWaalsContact NH2-O 3.14Å
127P97.8Very high90.3Very high31 Ų3192.4 Ų92.420%0.20149%0.491CS..  trans-71.2164.8-178.330.3-33.9000112.7C97 Y98 C110 I129C97-P127 HydrophobicContact CB-CB 4.13Å; C97-P127 HydrophobicContact CB-CG 4.46Å; Y98-P127 CarbonylContact O-C 3.59Å; Y98-P127 WeakPolarHBondContact O-CA 3.39Å; Y98-P127 WeakPolarHBondContact O-CB 3.3Å; C110-P127 HydrophobicContact CB-CB 3.76Å; P127-I129 HydrophobicContact CG-CG1 4.45Å
128L96.4Very high90Very high84 Ų8495.8 Ų95.844%0.4451%0.51SS..EExtended strand (participates in β ladder)trans-88.2127.2160175.164.1000108C97 Y98 R100 L130C97-L128 CarbonylContact C-O 3.51Å; C97-L128 WeakPolarHBondContact CA-O 3.27Å; Y98-L128 PolarHBondContact N-O 2.92Å; Y98-L128 PolarHBondContact O-N 2.72Å; R100-L128 HydrophobicContact CG-CB 4.38Å; L128-L130 HydrophobicContact CD2-CD2 4.11Å; L128-L130 HydrophobicContact CG-CD2 4.13Å
129I93.8Very high89.6Confident87 Ų8799.6 Ų99.645%0.44653%0.53SS..EExtended strand (participates in β ladder)trans-105.8114.6179.3-53.7179.4000108.2P127 K131P127-I129 HydrophobicContact CG-CG1 4.45Å; I129-K131 HydrophobicContact CG2-CG 4.07Å
130L91.6Very high89.3Confident52 Ų5296.4 Ų96.427%0.27252%0.52SS..EExtended strand (participates in β ladder)trans-93.8122.9171-60.4-173.6000108.7L91 N95 V96 Y98 L128L91-L130 HydrophobicContact CD1-CB 4.29Å; L91-L130 HydrophobicContact CD1-CD1 4.42Å; N95-L130 WeakPolarHBondContact CA-O 3.49Å; V96-L130 PolarHBondContact N-O 2.9Å; V96-L130 PolarHBondContact O-N 3.39Å; Y98-L130 HydrophobicContact CD2-CD1 3.9Å; Y98-L130 HydrophobicContact CD2-CG 4.08Å; Y98-L130 HydrophobicContact CE2-CD1 3.68Å; Y98-L130 HydrophobicContact CE2-CG 4.2Å; L128-L130 HydrophobicContact CD2-CD2 4.11Å; L128-L130 HydrophobicContact CG-CD2 4.13Å
131K88.6Confident89.1Confident155 Ų15595.9 Ų95.967%0.67452%0.518SS*.EExtended strand (participates in β ladder)trans-111.1122.4177.9-54.6-161.3173.9174.40109.4T94 N95 I129 K133T94-K131 VanDerWaalsContact O-CA 3.31Å; T94-K131 WeakPolarHBondContact O-CA 3.36Å; N95-K131 VanDerWaalsContact OD1-CD 3.31Å; N95-K131 WeakPolarHBondContact OD1-CD 3.49Å; N95-K131 WeakPolarHBondContact OD1-CG 3.27Å; I129-K131 HydrophobicContact CG2-CG 4.07Å; K131-K133 PolarHBondContact O-N 2.99Å
132K83.7Confident89Confident98 Ų9897.1 Ų97.143%0.42652%0.52SS..  trans-75.3114.6172.2-170.3167.9-175.5165.10108E89 T94 I134E89-K132 PolarHBondContact O-NZ 3.09Å; T94-K132 PolarHBondContact O-N 3.31Å; K132-I134 PolarHBondContact O-N 2.9Å
133K78.7Confident88.8Confident171 Ų17199 Ų9974%0.74350%0.503SS*.  trans-74.7110.8172.6-169.7-179.5-177.3-173.50107.6K131 L135K131-K133 PolarHBondContact O-N 2.99Å; K133-L135 HydrophobicContact CD-CD2 4.1Å; K133-L135 HydrophobicContact CG-CD2 4.45Å
134I72.9Confident88.3Confident132 Ų132101.8 Ų101.868%0.67752%0.515SS*.  trans-82.5114.5167.7-55.4175.6000105.1T94 K132T94-I134 HydrophobicContact CG2-CD1 3.95Å; K132-I134 PolarHBondContact O-N 2.9Å
135L63.8Low87.5Confident205 Ų20598 Ų98100%1.07349%0.492SS*.  trans-84.90172-73.4171.3000109.6K133K133-L135 HydrophobicContact CD-CD2 4.1Å; K133-L135 HydrophobicContact CG-CD2 4.45Å

Retrieved 135 of 135 residues in 39.5 ms (Link to these results)