A0A077ZP66_TRITR Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZP66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 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
1M41.2Very low73.5Confident242 Ų242128 Ų128100%1.19263%0.634SS**  01140-72.1176.2165.600107.4V3M1-V3 PolarHBondContact O-N 3.37Å
2S57.5Low74.8Confident109 Ų109121 Ų12176%0.76260%0.603SS**  trans-75120.3170.150.60000107.7Q4S2-Q4 PolarHBondContact O-N 3.29Å
3V58.6Low76.1Confident99 Ų99126.5 Ų126.560%0.661%0.613SS**  trans-65.4107.8167.3178.90000105.9M1 Y5M1-V3 PolarHBondContact O-N 3.37Å; V3-Y5 HydrophobicContact CB-CE2 4.03Å; V3-Y5 HydrophobicContact CG1-CD1 4.11Å; V3-Y5 HydrophobicContact CG1-CD2 4.25Å; V3-Y5 HydrophobicContact CG1-CE1 3.77Å; V3-Y5 HydrophobicContact CG1-CE2 3.94Å; V3-Y5 HydrophobicContact CG1-CG 4.34Å; V3-Y5 WeakPolarHBondContact O-CD2 3.39Å; V3-Y5 PolarHBondContact O-N 2.63Å; V3-Y5 VanDerWaalsContact O-N 3.13Å
4Q70.1Confident77.3Confident182 Ų182123.3 Ų123.385%0.8560%0.6SS**  trans-72.8102.3169.1-81-175.9-1400107.5S2 D6S2-Q4 PolarHBondContact O-N 3.29Å; Q4-D6 PolarHBondContact O-N 2.87Å
5Y75.3Confident78.4Confident153 Ų153115.3 Ų115.360%0.656%0.561SS**  trans-74.4118.8170.5-66.9-77.2000109V3 Y7V3-Y5 HydrophobicContact CB-CE2 4.03Å; V3-Y5 HydrophobicContact CG1-CD1 4.11Å; V3-Y5 HydrophobicContact CG1-CD2 4.25Å; V3-Y5 HydrophobicContact CG1-CE1 3.77Å; V3-Y5 HydrophobicContact CG1-CE2 3.94Å; V3-Y5 HydrophobicContact CG1-CG 4.34Å; V3-Y5 WeakPolarHBondContact O-CD2 3.39Å; V3-Y5 PolarHBondContact O-N 2.63Å; V3-Y5 VanDerWaalsContact O-N 3.13Å; Y5-Y7 VanDerWaalsContact CB-CZ 3.47Å; Y5-Y7 HydrophobicContact CG-CE1 4.46Å; Y5-Y7 WeakPolarHBondContact O-CD2 3.25Å; Y5-Y7 PolarHBondContact O-N 2.87Å; Y5-Y7 VanDerWaalsContact O-N 3.09Å
6D80Confident79.3Confident90 Ų90111.6 Ų111.648%0.48154%0.541SS..  trans-77.988.6169.8178.613.4000109.8Q4 S8 K9Q4-D6 PolarHBondContact O-N 2.87Å; D6-S8 VanDerWaalsContact CG-OG 3.28Å; D6-S8 PolarHBondContact O-N 3.15Å; D6-S8 WeakPolarHBondContact OD1-CB 3.18Å; D6-S8 PolarHBondContact OD1-N 3.39Å; D6-S8 PolarHBondContact OD1-OG 3.43Å; D6-S8 PolarHBondContact OD2-OG 2.95Å; D6-K9 VanDerWaalsContact OD2-CE 3.25Å; D6-K9 WeakPolarHBondContact OD2-CE 3.42Å; D6-K9 IonicContact OD2-NZ 3.91Å
7Y81.8Confident80.1Confident124 Ų124109.8 Ų109.849%0.48653%0.534SS..G310 helixtrans-72.5-2.8176.8-62.6-64.8000113.7Y5 K9 L10 W37Y5-Y7 VanDerWaalsContact CB-CZ 3.47Å; Y5-Y7 HydrophobicContact CG-CE1 4.46Å; Y5-Y7 WeakPolarHBondContact O-CD2 3.25Å; Y5-Y7 PolarHBondContact O-N 2.87Å; Y5-Y7 VanDerWaalsContact O-N 3.09Å; Y7-K9 PolarHBondContact O-N 3.08Å; Y7-L10 HydrophobicContact CD1-CD1 3.81Å; Y7-L10 HydrophobicContact CD1-CG 4.23Å; Y7-L10 HydrophobicContact CG-CD1 4.42Å; Y7-L10 PolarHBondContact O-N 2.99Å; Y7-W37 PolarHBondContact O-NE1 3.23Å
8S82.5Confident80.8Confident48 Ų48107.3 Ų107.334%0.33653%0.526SS..G310 helixtrans-67.8-23.1177.477.30000112.6D6 N36D6-S8 VanDerWaalsContact CG-OG 3.28Å; D6-S8 PolarHBondContact O-N 3.15Å; D6-S8 WeakPolarHBondContact OD1-CB 3.18Å; D6-S8 PolarHBondContact OD1-N 3.39Å; D6-S8 PolarHBondContact OD1-OG 3.43Å; D6-S8 PolarHBondContact OD2-OG 2.95Å; S8-N36 PolarHBondContact O-ND2 3.43Å
9K84.8Confident81.5Confident169 Ų169101.7 Ų101.774%0.73550%0.498SS*.G310 helixtrans-89.2-0179.8-63.3179.4-177.4173.10114.5D6 Y7 E11D6-K9 VanDerWaalsContact OD2-CE 3.25Å; D6-K9 WeakPolarHBondContact OD2-CE 3.42Å; D6-K9 IonicContact OD2-NZ 3.91Å; Y7-K9 PolarHBondContact O-N 3.08Å; K9-E11 PolarHBondContact O-N 3.11Å
10L86.7Confident82Confident52 Ų5299.4 Ų99.427%0.27249%0.493SS..SBendtrans-61.4133.1175.8-68.7-179.2000110.3Y7 L14 L15 N36 W37Y7-L10 HydrophobicContact CD1-CD1 3.81Å; Y7-L10 HydrophobicContact CD1-CG 4.23Å; Y7-L10 HydrophobicContact CG-CD1 4.42Å; Y7-L10 PolarHBondContact O-N 2.99Å; L10-L14 HydrophobicContact CD2-CD2 4.03Å; L10-L15 HydrophobicContact CB-CD2 4.01Å; L10-L15 HydrophobicContact CB-CG 4.13Å; L10-L15 HydrophobicContact CD1-CD2 3.75Å; L10-N36 PolarHBondContact O-ND2 2.99Å; L10-W37 HydrophobicContact CD1-CZ2 3.85Å
11E89.9Confident82.5Confident140 Ų140103.9 Ų103.965%0.65451%0.506SS*.  trans-61.3138.6175.7-65.9-176.5-178.200110.9K9 R13 L14 L15K9-E11 PolarHBondContact O-N 3.11Å; E11-R13 PolarHBondContact O-N 3.35Å; E11-R13 VanDerWaalsContact O-N 3.11Å; E11-L14 PolarHBondContact O-N 2.99Å; E11-L15 PolarHBondContact O-N 2.56Å; E11-L15 VanDerWaalsContact O-N 3.08Å
12T89.5Confident84.9Confident44 Ų4494.6 Ų94.627%0.2746%0.46SS..Hα-helixtrans-53.7-34.2175.9-51.50000112.5L15 K16 A40 E43T12-L15 PolarHBondContact O-N 3.02Å; T12-K16 HydrophobicContact CG2-CD 4.48Å; T12-K16 WeakPolarHBondContact O-CG 3.46Å; T12-K16 PolarHBondContact O-N 3Å; T12-A40 HydrophobicContact CG2-CB 3.85Å; T12-E43 WeakPolarHBondContact CG2-OE2 3.28Å
13R91.1Very high86.5Confident192 Ų19291.9 Ų91.973%0.72543%0.433SS*.Hα-helixtrans-62.4-45.7176.3-176.6-179.3178-176.9-0.1111.9E11 K16 I17E11-R13 PolarHBondContact O-N 3.35Å; E11-R13 VanDerWaalsContact O-N 3.11Å; R13-K16 PolarHBondContact O-N 3.33Å; R13-I17 WeakPolarHBondContact O-CG1 3.2Å; R13-I17 PolarHBondContact O-N 3.24Å; R13-I17 VanDerWaalsContact O-N 3.15Å
14L93.1Very high88.2Confident82 Ų8287.1 Ų87.143%0.42940%0.404SS..Hα-helixtrans-65.9-42.9178.2-179.759.5000110.9L10 E11 K16 I17 V18L10-L14 HydrophobicContact CD2-CD2 4.03Å; E11-L14 PolarHBondContact O-N 2.99Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 3.4Å; L14-I17 WeakPolarHBondContact O-CB 3.47Å; L14-I17 PolarHBondContact O-N 3.44Å; L14-I17 VanDerWaalsContact O-N 3.13Å; L14-V18 WeakPolarHBondContact O-CG2 3.14Å; L14-V18 PolarHBondContact O-N 2.89Å
15L94Very high89.4Confident3 Ų378.5 Ų78.52%0.01636%0.364CS..Hα-helixtrans-57.2-44.7175.2-66.7177.2000111.9L10 E11 T12 I17 V18 F19 W37 A40L10-L15 HydrophobicContact CB-CD2 4.01Å; L10-L15 HydrophobicContact CB-CG 4.13Å; L10-L15 HydrophobicContact CD1-CD2 3.75Å; E11-L15 PolarHBondContact O-N 2.56Å; E11-L15 VanDerWaalsContact O-N 3.08Å; T12-L15 PolarHBondContact O-N 3.02Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.76Å; L15-V18 WeakPolarHBondContact O-CB 3.44Å; L15-V18 PolarHBondContact O-N 3.09Å; L15-V18 VanDerWaalsContact O-N 3.16Å; L15-F19 HydrophobicContact CB-CE2 4.1Å; L15-F19 HydrophobicContact CB-CZ 4Å; L15-F19 WeakPolarHBondContact O-CD1 3.48Å; L15-F19 WeakPolarHBondContact O-CD2 3.39Å; L15-F19 WeakPolarHBondContact O-CG 3.39Å; L15-F19 PolarHBondContact O-N 2.97Å; L15-W37 HydrophobicContact CD1-CD2 4.24Å; L15-W37 HydrophobicContact CD1-CG 4.02Å; L15-W37 HydrophobicContact CD2-CD2 3.94Å; L15-W37 VanDerWaalsContact CD2-CE2 3.43Å; L15-W37 HydrophobicContact CD2-CE3 4.38Å; L15-W37 HydrophobicContact CD2-CH2 3.91Å; L15-W37 HydrophobicContact CD2-CZ2 3.45Å; L15-W37 VanDerWaalsContact CD2-CZ2 3.45Å; L15-W37 HydrophobicContact CD2-CZ3 4.35Å; L15-A40 HydrophobicContact CB-CB 4.17Å; L15-A40 HydrophobicContact CD1-CB 3.75Å
16K92.1Very high90.3Very high57 Ų5774.5 Ų74.525%0.24835%0.353CS..Hα-helixtrans-62.4-36.8176.5-73.6174.2-177.11690113.3T12 R13 L14 F19 S20 E43T12-K16 HydrophobicContact CG2-CD 4.48Å; T12-K16 WeakPolarHBondContact O-CG 3.46Å; T12-K16 PolarHBondContact O-N 3Å; R13-K16 PolarHBondContact O-N 3.33Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 3.4Å; K16-F19 PolarHBondContact O-N 3.13Å; K16-S20 PolarHBondContact O-N 3.05Å; K16-E43 VanDerWaalsContact CE-CD 3.45Å; K16-E43 WeakPolarHBondContact CE-OE2 3.35Å; K16-E43 IonicContact NZ-OE1 2.95Å; K16-E43 PolarHBondContact NZ-OE1 2.64Å; K16-E43 IonicContact NZ-OE2 3.16Å; K16-E43 PolarHBondContact NZ-OE2 2.99Å
17I93.2Very high91Very high81 Ų8170.2 Ų70.242%0.41533%0.33SS..Hα-helixtrans-62.1-47.7173.9-67.8166.3000109.3R13 L14 L15 F19 S20 Y21R13-I17 WeakPolarHBondContact O-CG1 3.2Å; R13-I17 PolarHBondContact O-N 3.24Å; R13-I17 VanDerWaalsContact O-N 3.15Å; L14-I17 WeakPolarHBondContact O-CB 3.47Å; L14-I17 PolarHBondContact O-N 3.44Å; L14-I17 VanDerWaalsContact O-N 3.13Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 PolarHBondContact O-N 2.76Å; I17-F19 PolarHBondContact O-N 3.03Å; I17-S20 VanDerWaalsContact O-CB 3.3Å; I17-S20 WeakPolarHBondContact O-CB 3.43Å; I17-S20 PolarHBondContact O-N 3.38Å; I17-S20 VanDerWaalsContact O-N 3.11Å; I17-S20 PolarHBondContact O-OG 3.42Å; I17-Y21 HydrophobicContact CG2-CE2 4.07Å; I17-Y21 WeakPolarHBondContact O-CD2 3.34Å; I17-Y21 WeakPolarHBondContact O-CE2 3.5Å
18V92.7Very high91.7Very high65 Ų6568.9 Ų68.939%0.39433%0.325SS..Hα-helixtrans-59.6-47.3176.5176.10000111L14 L15 S20 Y21 M22L14-V18 WeakPolarHBondContact O-CG2 3.14Å; L14-V18 PolarHBondContact O-N 2.89Å; L15-V18 WeakPolarHBondContact O-CB 3.44Å; L15-V18 PolarHBondContact O-N 3.09Å; L15-V18 VanDerWaalsContact O-N 3.16Å; V18-S20 PolarHBondContact O-N 3.48Å; V18-S20 VanDerWaalsContact O-N 3.15Å; V18-Y21 PolarHBondContact O-N 3.45Å; V18-M22 HydrophobicContact CG1-CG 4.49Å; V18-M22 HydrophobicContact CG1-SD 3.74Å; V18-M22 WeakPolarHBondContact O-CG 3.35Å; V18-M22 PolarHBondContact O-N 2.92Å
19F95Very high92.3Very high0 Ų072.1 Ų72.10%033%0.333CS..Hα-helixtrans-59-29177-60.4-17.7000112.8L15 K16 I17 Y21 M22 I27 C30 W37 A40 V41 Y44 K55L15-F19 HydrophobicContact CB-CE2 4.1Å; L15-F19 HydrophobicContact CB-CZ 4Å; L15-F19 WeakPolarHBondContact O-CD1 3.48Å; L15-F19 WeakPolarHBondContact O-CD2 3.39Å; L15-F19 WeakPolarHBondContact O-CG 3.39Å; L15-F19 PolarHBondContact O-N 2.97Å; K16-F19 PolarHBondContact O-N 3.13Å; I17-F19 PolarHBondContact O-N 3.03Å; F19-Y21 PolarHBondContact O-N 3.27Å; F19-M22 HydrophobicContact CD1-SD 3.96Å; F19-M22 PolarHBondContact O-N 3.24Å; F19-M22 VanDerWaalsContact O-N 3.09Å; F19-I27 HydrophobicContact CB-CD1 4.05Å; F19-I27 HydrophobicContact CB-CG1 3.99Å; F19-I27 HydrophobicContact CB-CG2 4.24Å; F19-I27 HydrophobicContact CD1-CG1 4.28Å; F19-I27 HydrophobicContact CD1-CG2 4.26Å; F19-I27 HydrophobicContact CD2-CG2 4.08Å; F19-I27 HydrophobicContact CG-CG1 4.25Å; F19-I27 HydrophobicContact CG-CG2 3.94Å; F19-I27 VanDerWaalsContact O-CD1 3.26Å; F19-I27 WeakPolarHBondContact O-CD1 3.25Å; F19-C30 HydrophobicContact CE1-CB 3.79Å; F19-C30 HydrophobicContact CZ-CB 4.05Å; F19-W37 HydrophobicContact CE1-CE3 4.48Å; F19-W37 HydrophobicContact CE1-CZ3 4.36Å; F19-W37 HydrophobicContact CZ-CE3 4.44Å; F19-A40 HydrophobicContact CE2-CB 3.99Å; F19-A40 HydrophobicContact CZ-CB 4.5Å; F19-V41 HydrophobicContact CE1-CG2 4.44Å; F19-V41 HydrophobicContact CE2-CB 4.48Å; F19-V41 HydrophobicContact CE2-CG2 3.7Å; F19-V41 HydrophobicContact CZ-CG2 3.6Å; F19-Y44 HydrophobicContact CB-CD2 3.71Å; F19-Y44 HydrophobicContact CB-CE2 3.75Å; F19-Y44 HydrophobicContact CB-CG 4.15Å; F19-Y44 HydrophobicContact CD2-CD2 4.22Å; F19-Y44 HydrophobicContact CD2-CG 4.05Å; F19-K55 PolarHBondContact O-NZ 3.37Å
20S91.7Very high92.7Very high56 Ų5664.7 Ų64.739%0.39230%0.302SS..Hα-helixtrans-62.6-21.8176.284.40000113.3K16 I17 V18 K55K16-S20 PolarHBondContact O-N 3.05Å; I17-S20 VanDerWaalsContact O-CB 3.3Å; I17-S20 WeakPolarHBondContact O-CB 3.43Å; I17-S20 PolarHBondContact O-N 3.38Å; I17-S20 VanDerWaalsContact O-N 3.11Å; I17-S20 PolarHBondContact O-OG 3.42Å; V18-S20 PolarHBondContact O-N 3.48Å; V18-S20 VanDerWaalsContact O-N 3.15Å; S20-K55 WeakPolarHBondContact O-CE 3.45Å; S20-K55 PolarHBondContact O-NZ 2.93Å
21Y90.7Very high93.1Very high194 Ų19463.4 Ų63.476%0.76130%0.298SS*.Hα-helixtrans-99.1-7.7175.8-60.3-78.6000114I17 V18 F19I17-Y21 HydrophobicContact CG2-CE2 4.07Å; I17-Y21 WeakPolarHBondContact O-CD2 3.34Å; I17-Y21 WeakPolarHBondContact O-CE2 3.5Å; V18-Y21 PolarHBondContact O-N 3.45Å; F19-Y21 PolarHBondContact O-N 3.27Å
22M92.4Very high93.3Very high46 Ų4663.1 Ų63.123%0.22730%0.3CS..SBendtrans-95.8161-176.6-65.1174.970.900112.8V18 F19 D26 I27 C30 K55V18-M22 HydrophobicContact CG1-CG 4.49Å; V18-M22 HydrophobicContact CG1-SD 3.74Å; V18-M22 WeakPolarHBondContact O-CG 3.35Å; V18-M22 PolarHBondContact O-N 2.92Å; F19-M22 HydrophobicContact CD1-SD 3.96Å; F19-M22 PolarHBondContact O-N 3.24Å; F19-M22 VanDerWaalsContact O-N 3.09Å; M22-D26 HydrophobicContact CB-CB 4.44Å; M22-D26 HydrophobicContact CE-CB 3.37Å; M22-I27 HydrophobicContact CB-CD1 4.08Å; M22-I27 HydrophobicContact CB-CG1 3.61Å; M22-C30 VanDerWaalsContact CE-SG 3.53Å; M22-K55 WeakPolarHBondContact O-CD 3.47Å; M22-K55 WeakPolarHBondContact O-CE 3.39Å; M22-K55 PolarHBondContact O-NZ 2.76Å
23R91.9Very high93.4Very high52 Ų5265 Ų6520%0.19631%0.311CS..  trans-79.2158.7171.4-54.4-62.1-178.1-149-10.6110.3G25 D26 I27 L54 T57 P60R23-G25 VanDerWaalsContact C-N 3.28Å; R23-G25 PolarHBondContact O-N 3.49Å; R23-D26 WeakPolarHBondContact CB-OD2 3.5Å; R23-D26 PolarHBondContact O-N 3.05Å; R23-I27 WeakPolarHBondContact O-CD1 3.33Å; R23-I27 VanDerWaalsContact O-CG1 3.23Å; R23-I27 WeakPolarHBondContact O-CG1 3.11Å; R23-I27 PolarHBondContact O-N 3.47Å; R23-I27 VanDerWaalsContact O-N 3.09Å; R23-L54 VanDerWaalsContact CZ-O 3.24Å; R23-L54 PolarHBondContact NH1-O 3.47Å; R23-T57 WeakPolarHBondContact CB-O 3.29Å; R23-T57 VanDerWaalsContact CG-O 3.32Å; R23-T57 WeakPolarHBondContact CG-O 3.48Å; R23-P60 PolarHBondContact NH2-O 3.33Å
24Y94.5Very high93.4Very high0 Ų057.5 Ų57.50%029%0.288CS..Hα-helixtrans-62.6-36.1-176.9-65.1-48.2000113.1I27 Y28 Y44 F45 L48 I51 H52 K55 M56Y24-I27 HydrophobicContact CD1-CD1 4.36Å; Y24-I27 PolarHBondContact O-N 3.31Å; Y24-Y28 WeakPolarHBondContact O-CB 3.41Å; Y24-Y28 PolarHBondContact O-N 3.02Å; Y24-Y44 HydrophobicContact CE1-CE1 4.41Å; Y24-F45 HydrophobicContact CD1-CD1 4.47Å; Y24-F45 AromaticContact CD1-CE1 3.46Å; Y24-F45 HydrophobicContact CD1-CE1 3.46Å; Y24-F45 VanDerWaalsContact CD1-CE1 3.46Å; Y24-F45 AromaticContact CD1-CZ 3.97Å; Y24-F45 HydrophobicContact CD1-CZ 3.97Å; Y24-F45 HydrophobicContact CE1-CE1 4.08Å; Y24-F45 HydrophobicContact CG-CE1 4.1Å; Y24-F45 HydrophobicContact CG-CZ 4.5Å; Y24-L48 HydrophobicContact CE1-CD1 3.79Å; Y24-I51 HydrophobicContact CD2-CG2 4.49Å; Y24-I51 HydrophobicContact CE2-CG2 3.51Å; Y24-I51 WeakPolarHBondContact OH-CA 3.34Å; Y24-I51 WeakPolarHBondContact OH-CG2 3.24Å; Y24-H52 PolarHBondContact OH-N 2.96Å; Y24-K55 HydrophobicContact CD1-CB 4.32Å; Y24-K55 HydrophobicContact CD1-CD 4.46Å; Y24-K55 HydrophobicContact CD2-CB 3.7Å; Y24-K55 WeakPolarHBondContact CD2-O 3.3Å; Y24-K55 HydrophobicContact CE1-CB 4.14Å; Y24-K55 HydrophobicContact CE1-CD 3.92Å; Y24-K55 HydrophobicContact CE2-CB 3.46Å; Y24-K55 VanDerWaalsContact CE2-CB 3.46Å; Y24-K55 HydrophobicContact CG-CB 4.12Å; Y24-K55 PolarHBondContact N-O 3.4Å; Y24-M56 HydrophobicContact CD2-CG 3.86Å; Y24-M56 HydrophobicContact CE2-CE 4.4Å; Y24-M56 HydrophobicContact CE2-CG 3.94Å
25G94Very high93.4Very high1 Ų162.3 Ų62.31%0.0131%0.305CS..Hα-helixtrans-58.8-49174.900000112.3R23 I27 Y28 F29R23-G25 VanDerWaalsContact C-N 3.28Å; R23-G25 PolarHBondContact O-N 3.49Å; G25-I27 PolarHBondContact O-N 2.87Å; G25-Y28 WeakPolarHBondContact O-CB 3.48Å; G25-Y28 PolarHBondContact O-N 2.85Å; G25-F29 WeakPolarHBondContact O-CD2 3.47Å; G25-F29 PolarHBondContact O-N 2.91Å; G25-F29 VanDerWaalsContact O-N 3.11Å
26D94.2Very high93.3Very high68 Ų6864.6 Ų64.636%0.36432%0.318SS..Hα-helixtrans-64.7-42.9-179.4-51.6-43.4000111.6M22 R23 Y28 F29 C30M22-D26 HydrophobicContact CB-CB 4.44Å; M22-D26 HydrophobicContact CE-CB 3.37Å; R23-D26 WeakPolarHBondContact CB-OD2 3.5Å; R23-D26 PolarHBondContact O-N 3.05Å; D26-Y28 VanDerWaalsContact C-N 3.27Å; D26-Y28 PolarHBondContact O-N 3.19Å; D26-F29 PolarHBondContact O-N 3.12Å; D26-F29 VanDerWaalsContact O-N 3.15Å; D26-C30 PolarHBondContact O-N 3.13Å; D26-C30 PolarHBondContact O-SG 3.4Å
27I95.8Very high93.5Very high0 Ų063.5 Ų63.50%031%0.312CS..Hα-helixtrans-62-38.3177.4-59.9162.9000110.6F19 M22 R23 Y24 G25 C30 V41 Y44 F45F19-I27 HydrophobicContact CB-CD1 4.05Å; F19-I27 HydrophobicContact CB-CG1 3.99Å; F19-I27 HydrophobicContact CB-CG2 4.24Å; F19-I27 HydrophobicContact CD1-CG1 4.28Å; F19-I27 HydrophobicContact CD1-CG2 4.26Å; F19-I27 HydrophobicContact CD2-CG2 4.08Å; F19-I27 HydrophobicContact CG-CG1 4.25Å; F19-I27 HydrophobicContact CG-CG2 3.94Å; F19-I27 VanDerWaalsContact O-CD1 3.26Å; F19-I27 WeakPolarHBondContact O-CD1 3.25Å; M22-I27 HydrophobicContact CB-CD1 4.08Å; M22-I27 HydrophobicContact CB-CG1 3.61Å; R23-I27 WeakPolarHBondContact O-CD1 3.33Å; R23-I27 VanDerWaalsContact O-CG1 3.23Å; R23-I27 WeakPolarHBondContact O-CG1 3.11Å; R23-I27 PolarHBondContact O-N 3.47Å; R23-I27 VanDerWaalsContact O-N 3.09Å; Y24-I27 HydrophobicContact CD1-CD1 4.36Å; Y24-I27 PolarHBondContact O-N 3.31Å; G25-I27 PolarHBondContact O-N 2.87Å; I27-C30 VanDerWaalsContact O-CB 3.28Å; I27-C30 WeakPolarHBondContact O-CB 3.45Å; I27-C30 PolarHBondContact O-N 3.29Å; I27-V41 HydrophobicContact CG2-CG1 4.2Å; I27-V41 HydrophobicContact CG2-CG2 4.21Å; I27-V41 WeakPolarHBondContact O-CG1 3.15Å; I27-V41 WeakPolarHBondContact O-CG2 3.39Å; I27-Y44 HydrophobicContact CD1-CD1 4.31Å; I27-Y44 HydrophobicContact CD1-CE1 3.53Å; I27-Y44 HydrophobicContact CG2-CD1 3.88Å; I27-Y44 HydrophobicContact CG2-CE1 4.16Å; I27-F45 HydrophobicContact CB-CE2 4.23Å; I27-F45 HydrophobicContact CB-CZ 4.26Å; I27-F45 HydrophobicContact CG2-CD2 4.4Å; I27-F45 HydrophobicContact CG2-CE2 3.67Å; I27-F45 HydrophobicContact CG2-CZ 4.11Å
28Y95.7Very high93.6Very high97 Ų9765 Ų6538%0.3832%0.317SS..Hα-helixtrans-61-46.6174.4172.8-97.6000111.6Y24 G25 D26 C30 S31 I78 M82Y24-Y28 WeakPolarHBondContact O-CB 3.41Å; Y24-Y28 PolarHBondContact O-N 3.02Å; G25-Y28 WeakPolarHBondContact O-CB 3.48Å; G25-Y28 PolarHBondContact O-N 2.85Å; D26-Y28 VanDerWaalsContact C-N 3.27Å; D26-Y28 PolarHBondContact O-N 3.19Å; Y28-C30 VanDerWaalsContact C-N 3.27Å; Y28-C30 PolarHBondContact O-N 2.96Å; Y28-S31 VanDerWaalsContact O-CB 3.26Å; Y28-S31 WeakPolarHBondContact O-CB 3.14Å; Y28-S31 PolarHBondContact O-N 2.99Å; Y28-S31 PolarHBondContact O-OG 2.83Å; Y28-I78 HydrophobicContact CD1-CD1 4.01Å; Y28-I78 HydrophobicContact CD2-CG2 4.28Å; Y28-I78 HydrophobicContact CG-CD1 3.97Å; Y28-I78 HydrophobicContact CG-CG1 4.3Å; Y28-I78 HydrophobicContact CG-CG2 4.18Å; Y28-M82 HydrophobicContact CD2-SD 3.59Å; Y28-M82 VanDerWaalsContact CD2-SD 3.59Å; Y28-M82 HydrophobicContact CE2-SD 4.28Å
29F94.6Very high93.7Very high115 Ų11564.7 Ų64.750%0.50432%0.321SS..Hα-helixtrans-68.3-24.1178.8-68.7-58.7000113.6G25 D26 S31 L32G25-F29 WeakPolarHBondContact O-CD2 3.47Å; G25-F29 PolarHBondContact O-N 2.91Å; G25-F29 VanDerWaalsContact O-N 3.11Å; D26-F29 PolarHBondContact O-N 3.12Å; D26-F29 VanDerWaalsContact O-N 3.15Å; F29-S31 PolarHBondContact O-N 3.42Å; F29-S31 VanDerWaalsContact O-N 3.1Å; F29-L32 HydrophobicContact CD1-CD1 3.93Å; F29-L32 WeakPolarHBondContact O-CB 3.38Å; F29-L32 WeakPolarHBondContact O-CG 3.24Å; F29-L32 PolarHBondContact O-N 3.46Å
30C94.6Very high93.7Very high13 Ų1364.7 Ų64.79%0.08832%0.321CS..Hα-helixtrans-55.4-25.6169.2-700000112.8F19 M22 D26 I27 Y28 L32 V33 W37 V41F19-C30 HydrophobicContact CE1-CB 3.79Å; F19-C30 HydrophobicContact CZ-CB 4.05Å; M22-C30 VanDerWaalsContact CE-SG 3.53Å; D26-C30 PolarHBondContact O-N 3.13Å; D26-C30 PolarHBondContact O-SG 3.4Å; I27-C30 VanDerWaalsContact O-CB 3.28Å; I27-C30 WeakPolarHBondContact O-CB 3.45Å; I27-C30 PolarHBondContact O-N 3.29Å; Y28-C30 VanDerWaalsContact C-N 3.27Å; Y28-C30 PolarHBondContact O-N 2.96Å; C30-L32 PolarHBondContact O-N 3.38Å; C30-V33 WeakPolarHBondContact O-CG2 3.42Å; C30-V33 PolarHBondContact O-N 3.16Å; C30-W37 HydrophobicContact CB-CE3 3.65Å; C30-W37 HydrophobicContact CB-CZ3 3.85Å; C30-W37 WeakPolarHBondContact O-CB 3.28Å; C30-V41 HydrophobicContact CB-CG2 3.79Å
31S94.8Very high94Very high26 Ų2662 Ų6218%0.18230%0.303CS..THydrogen-bonded Turntrans-65.5-16.317771.50000114.1Y28 F29 V33Y28-S31 VanDerWaalsContact O-CB 3.26Å; Y28-S31 WeakPolarHBondContact O-CB 3.14Å; Y28-S31 PolarHBondContact O-N 2.99Å; Y28-S31 PolarHBondContact O-OG 2.83Å; F29-S31 PolarHBondContact O-N 3.42Å; F29-S31 VanDerWaalsContact O-N 3.1Å; S31-V33 VanDerWaalsContact C-N 3.34Å
32L93.8Very high94.2Very high133 Ų13361.1 Ų61.170%0.69630%0.298SS*.THydrogen-bonded Turntrans-83.1-8.8-179.8-56.4-179.6000113.5F29 C30F29-L32 HydrophobicContact CD1-CD1 3.93Å; F29-L32 WeakPolarHBondContact O-CB 3.38Å; F29-L32 WeakPolarHBondContact O-CG 3.24Å; F29-L32 PolarHBondContact O-N 3.46Å; C30-L32 PolarHBondContact O-N 3.38Å
33V91.2Very high94.4Very high83 Ų8362.9 Ų62.950%0.50331%0.306SS..SBendtrans-71-57.1-175.2175.80000111.6C30 S31 W37C30-V33 WeakPolarHBondContact O-CG2 3.42Å; C30-V33 PolarHBondContact O-N 3.16Å; S31-V33 VanDerWaalsContact C-N 3.34Å; V33-W37 HydrophobicContact CB-CB 4.08Å; V33-W37 HydrophobicContact CB-CD2 3.88Å; V33-W37 HydrophobicContact CB-CE3 3.99Å; V33-W37 HydrophobicContact CB-CG 3.93Å; V33-W37 HydrophobicContact CG1-CD2 3.95Å; V33-W37 HydrophobicContact CG1-CE3 4.39Å; V33-W37 HydrophobicContact CG1-CG 4.04Å; V33-W37 HydrophobicContact CG2-CD2 4.11Å; V33-W37 HydrophobicContact CG2-CE3 3.72Å; V33-W37 HydrophobicContact CG2-CZ3 4.1Å
34C92.5Very high94.7Very high36 Ų3661.2 Ų61.224%0.24330%0.299CS..  trans-165.5172.5176.873.10000110.8N36 W37 Q38C34-N36 VanDerWaalsContact C-N 3.28Å; C34-N36 PolarHBondContact O-N 2.65Å; C34-W37 PolarHBondContact O-N 2.98Å; C34-W37 VanDerWaalsContact O-N 3.12Å; C34-W37 VanDerWaalsContact SG-CD1 3.52Å; C34-Q38 PolarHBondContact O-N 3.12Å
35K92.5Very high94.7Very high183 Ų18361.2 Ų61.280%0.79630%0.3SS*.Hα-helixtrans-56.9-36.5-179.2-67.8-176.8179.3178.50113.8Q38 A39K35-Q38 PolarHBondContact O-N 2.62Å; K35-A39 PolarHBondContact O-N 2.91Å
36N92.5Very high94.8Very high51 Ų5164.1 Ų64.127%0.27332%0.315SS..Hα-helixtrans-65.3-45.4177.6-179.434.6000111.2S8 L10 C34 A39 A40S8-N36 PolarHBondContact O-ND2 3.43Å; L10-N36 PolarHBondContact O-ND2 2.99Å; C34-N36 VanDerWaalsContact C-N 3.28Å; C34-N36 PolarHBondContact O-N 2.65Å; N36-A39 PolarHBondContact O-N 3.3Å; N36-A40 WeakPolarHBondContact O-CB 3.33Å; N36-A40 PolarHBondContact O-N 3.09Å
37W95.5Very high94.8Very high34 Ų3464.9 Ų64.913%0.12932%0.322CS..Hα-helixtrans-65.7-40.5176-79.255000112.1Y7 L10 L15 F19 C30 V33 C34 A39 A40 V41Y7-W37 PolarHBondContact O-NE1 3.23Å; L10-W37 HydrophobicContact CD1-CZ2 3.85Å; L15-W37 HydrophobicContact CD1-CD2 4.24Å; L15-W37 HydrophobicContact CD1-CG 4.02Å; L15-W37 HydrophobicContact CD2-CD2 3.94Å; L15-W37 VanDerWaalsContact CD2-CE2 3.43Å; L15-W37 HydrophobicContact CD2-CE3 4.38Å; L15-W37 HydrophobicContact CD2-CH2 3.91Å; L15-W37 HydrophobicContact CD2-CZ2 3.45Å; L15-W37 VanDerWaalsContact CD2-CZ2 3.45Å; L15-W37 HydrophobicContact CD2-CZ3 4.35Å; F19-W37 HydrophobicContact CE1-CE3 4.48Å; F19-W37 HydrophobicContact CE1-CZ3 4.36Å; F19-W37 HydrophobicContact CZ-CE3 4.44Å; C30-W37 HydrophobicContact CB-CE3 3.65Å; C30-W37 HydrophobicContact CB-CZ3 3.85Å; C30-W37 WeakPolarHBondContact O-CB 3.28Å; V33-W37 HydrophobicContact CB-CB 4.08Å; V33-W37 HydrophobicContact CB-CD2 3.88Å; V33-W37 HydrophobicContact CB-CE3 3.99Å; V33-W37 HydrophobicContact CB-CG 3.93Å; V33-W37 HydrophobicContact CG1-CD2 3.95Å; V33-W37 HydrophobicContact CG1-CE3 4.39Å; V33-W37 HydrophobicContact CG1-CG 4.04Å; V33-W37 HydrophobicContact CG2-CD2 4.11Å; V33-W37 HydrophobicContact CG2-CE3 3.72Å; V33-W37 HydrophobicContact CG2-CZ3 4.1Å; C34-W37 PolarHBondContact O-N 2.98Å; C34-W37 VanDerWaalsContact O-N 3.12Å; C34-W37 VanDerWaalsContact SG-CD1 3.52Å; W37-A39 VanDerWaalsContact C-N 3.32Å; W37-A39 PolarHBondContact O-N 3.28Å; W37-A40 PolarHBondContact O-N 3.46Å; W37-V41 WeakPolarHBondContact O-CB 3.47Å; W37-V41 VanDerWaalsContact O-CG2 3.29Å; W37-V41 WeakPolarHBondContact O-CG2 3.44Å; W37-V41 PolarHBondContact O-N 2.7Å
38Q95.2Very high94.8Very high112 Ų11265.9 Ų65.952%0.52333%0.327SS..Hα-helixtrans-56.6-45.4173.7-172.1-175.915.200111.9C34 K35 V41 R42C34-Q38 PolarHBondContact O-N 3.12Å; K35-Q38 PolarHBondContact O-N 2.62Å; Q38-V41 PolarHBondContact O-N 2.9Å; Q38-R42 PolarHBondContact O-N 3.4Å
39A94Very high94.7Very high58 Ų5865.4 Ų65.448%0.47934%0.336SS..Hα-helixtrans-63.9-44.1175.900000111.8K35 N36 W37 V41 R42 E43K35-A39 PolarHBondContact O-N 2.91Å; N36-A39 PolarHBondContact O-N 3.3Å; W37-A39 VanDerWaalsContact C-N 3.32Å; W37-A39 PolarHBondContact O-N 3.28Å; A39-V41 PolarHBondContact O-N 3.44Å; A39-R42 PolarHBondContact O-N 3.02Å; A39-E43 WeakPolarHBondContact O-CB 3.26Å; A39-E43 PolarHBondContact O-N 3.06Å
40A96Very high94.7Very high0 Ų062.9 Ų62.90%032%0.323CS..Hα-helixtrans-61.8-41.8177.900000112.6T12 L15 F19 N36 W37 E43 Y44T12-A40 HydrophobicContact CG2-CB 3.85Å; L15-A40 HydrophobicContact CB-CB 4.17Å; L15-A40 HydrophobicContact CD1-CB 3.75Å; F19-A40 HydrophobicContact CE2-CB 3.99Å; F19-A40 HydrophobicContact CZ-CB 4.5Å; N36-A40 WeakPolarHBondContact O-CB 3.33Å; N36-A40 PolarHBondContact O-N 3.09Å; W37-A40 PolarHBondContact O-N 3.46Å; A40-E43 PolarHBondContact O-N 3.1Å; A40-Y44 WeakPolarHBondContact O-CB 3.26Å; A40-Y44 PolarHBondContact O-N 2.99Å
41V97.3Very high94.6Very high1 Ų162.5 Ų62.51%0.00632%0.32CS..Hα-helixtrans-63.3-48.2176.3167.40000110.5F19 I27 C30 W37 Q38 A39 E43 Y44 F45 M82F19-V41 HydrophobicContact CE1-CG2 4.44Å; F19-V41 HydrophobicContact CE2-CB 4.48Å; F19-V41 HydrophobicContact CE2-CG2 3.7Å; F19-V41 HydrophobicContact CZ-CG2 3.6Å; I27-V41 HydrophobicContact CG2-CG1 4.2Å; I27-V41 HydrophobicContact CG2-CG2 4.21Å; I27-V41 WeakPolarHBondContact O-CG1 3.15Å; I27-V41 WeakPolarHBondContact O-CG2 3.39Å; C30-V41 HydrophobicContact CB-CG2 3.79Å; W37-V41 WeakPolarHBondContact O-CB 3.47Å; W37-V41 VanDerWaalsContact O-CG2 3.29Å; W37-V41 WeakPolarHBondContact O-CG2 3.44Å; W37-V41 PolarHBondContact O-N 2.7Å; Q38-V41 PolarHBondContact O-N 2.9Å; A39-V41 PolarHBondContact O-N 3.44Å; V41-E43 VanDerWaalsContact C-N 3.32Å; V41-E43 PolarHBondContact O-N 3.33Å; V41-Y44 WeakPolarHBondContact O-CB 3.44Å; V41-Y44 PolarHBondContact O-N 3.06Å; V41-F45 HydrophobicContact CG1-CD2 3.88Å; V41-F45 HydrophobicContact CG1-CE2 3.86Å; V41-F45 WeakPolarHBondContact O-CD2 3.45Å; V41-F45 PolarHBondContact O-N 2.74Å; V41-F45 VanDerWaalsContact O-N 3.09Å; V41-M82 HydrophobicContact CG1-CE 4.21Å
42R96.1Very high94.6Very high174 Ų17464.3 Ų64.366%0.65733%0.325SS*.Hα-helixtrans-57.9-47.1177.1-176.3-178.7-179.4-161.10.3111.1Q38 A39 F45 L46Q38-R42 PolarHBondContact O-N 3.4Å; A39-R42 PolarHBondContact O-N 3.02Å; R42-F45 PolarHBondContact O-N 3.11Å; R42-L46 HydrophobicContact CG-CD1 3.83Å; R42-L46 HydrophobicContact CG-CG 4.38Å; R42-L46 WeakPolarHBondContact O-CB 3.48Å; R42-L46 VanDerWaalsContact O-CG 3.24Å; R42-L46 WeakPolarHBondContact O-CG 3.44Å; R42-L46 PolarHBondContact O-N 3.15Å
43E96.1Very high94.4Very high84 Ų8458 Ų5839%0.39329%0.292SS..Hα-helixtrans-65.5-40.8179.8-161.6-169.3163.400112T12 K16 A39 A40 V41 F45 L46 T47T12-E43 WeakPolarHBondContact CG2-OE2 3.28Å; K16-E43 VanDerWaalsContact CE-CD 3.45Å; K16-E43 WeakPolarHBondContact CE-OE2 3.35Å; K16-E43 IonicContact NZ-OE1 2.95Å; K16-E43 PolarHBondContact NZ-OE1 2.64Å; K16-E43 IonicContact NZ-OE2 3.16Å; K16-E43 PolarHBondContact NZ-OE2 2.99Å; A39-E43 WeakPolarHBondContact O-CB 3.26Å; A39-E43 PolarHBondContact O-N 3.06Å; A40-E43 PolarHBondContact O-N 3.1Å; V41-E43 VanDerWaalsContact C-N 3.32Å; V41-E43 PolarHBondContact O-N 3.33Å; E43-F45 PolarHBondContact O-N 3.18Å; E43-L46 PolarHBondContact O-N 3.01Å; E43-T47 HydrophobicContact CG-CG2 4.28Å; E43-T47 WeakPolarHBondContact O-CB 3.36Å; E43-T47 VanDerWaalsContact O-CG2 3.25Å; E43-T47 WeakPolarHBondContact O-CG2 3.2Å; E43-T47 PolarHBondContact O-N 3.18Å; E43-T47 PolarHBondContact O-OG1 3.27Å
44Y97.1Very high94.4Very high16 Ų1657.1 Ų57.16%0.06328%0.284CS..Hα-helixtrans-54.3-55.1174.5170.8-91.5000110.8F19 Y24 I27 A40 V41 L46 T47 L48 K55F19-Y44 HydrophobicContact CB-CD2 3.71Å; F19-Y44 HydrophobicContact CB-CE2 3.75Å; F19-Y44 HydrophobicContact CB-CG 4.15Å; F19-Y44 HydrophobicContact CD2-CD2 4.22Å; F19-Y44 HydrophobicContact CD2-CG 4.05Å; Y24-Y44 HydrophobicContact CE1-CE1 4.41Å; I27-Y44 HydrophobicContact CD1-CD1 4.31Å; I27-Y44 HydrophobicContact CD1-CE1 3.53Å; I27-Y44 HydrophobicContact CG2-CD1 3.88Å; I27-Y44 HydrophobicContact CG2-CE1 4.16Å; A40-Y44 WeakPolarHBondContact O-CB 3.26Å; A40-Y44 PolarHBondContact O-N 2.99Å; V41-Y44 WeakPolarHBondContact O-CB 3.44Å; V41-Y44 PolarHBondContact O-N 3.06Å; Y44-L46 PolarHBondContact O-N 3.09Å; Y44-T47 PolarHBondContact O-N 3.21Å; Y44-T47 PolarHBondContact O-OG1 3.5Å; Y44-L48 HydrophobicContact CD1-CD1 4.37Å; Y44-L48 HydrophobicContact CE1-CD1 3.8Å; Y44-L48 HydrophobicContact CE1-CD2 4.21Å; Y44-L48 HydrophobicContact CE1-CG 4.22Å; Y44-L48 HydrophobicContact CE2-CD2 4.21Å; Y44-L48 WeakPolarHBondContact O-CG 3.29Å; Y44-L48 PolarHBondContact O-N 2.98Å; Y44-K55 PolarHBondContact OH-NZ 2.93Å
45F96Very high94.4Very high1 Ų156.6 Ų56.60%0.00428%0.278CS..Hα-helixtrans-64.7-40.4-178.7-79.1-73000113Y24 I27 V41 R42 E43 T47 L48 I78 M82 A83Y24-F45 HydrophobicContact CD1-CD1 4.47Å; Y24-F45 AromaticContact CD1-CE1 3.46Å; Y24-F45 HydrophobicContact CD1-CE1 3.46Å; Y24-F45 VanDerWaalsContact CD1-CE1 3.46Å; Y24-F45 AromaticContact CD1-CZ 3.97Å; Y24-F45 HydrophobicContact CD1-CZ 3.97Å; Y24-F45 HydrophobicContact CE1-CE1 4.08Å; Y24-F45 HydrophobicContact CG-CE1 4.1Å; Y24-F45 HydrophobicContact CG-CZ 4.5Å; I27-F45 HydrophobicContact CB-CE2 4.23Å; I27-F45 HydrophobicContact CB-CZ 4.26Å; I27-F45 HydrophobicContact CG2-CD2 4.4Å; I27-F45 HydrophobicContact CG2-CE2 3.67Å; I27-F45 HydrophobicContact CG2-CZ 4.11Å; V41-F45 HydrophobicContact CG1-CD2 3.88Å; V41-F45 HydrophobicContact CG1-CE2 3.86Å; V41-F45 WeakPolarHBondContact O-CD2 3.45Å; V41-F45 PolarHBondContact O-N 2.74Å; V41-F45 VanDerWaalsContact O-N 3.09Å; R42-F45 PolarHBondContact O-N 3.11Å; E43-F45 PolarHBondContact O-N 3.18Å; F45-T47 PolarHBondContact O-N 2.96Å; F45-L48 HydrophobicContact CD1-CD1 3.97Å; F45-L48 PolarHBondContact O-N 2.57Å; F45-I78 HydrophobicContact CE1-CG2 4.43Å; F45-I78 HydrophobicContact CZ-CG2 3.91Å; F45-M82 HydrophobicContact CB-CB 3.78Å; F45-M82 HydrophobicContact CB-CE 4.38Å; F45-M82 HydrophobicContact CD1-CB 3.6Å; F45-M82 HydrophobicContact CD2-CB 3.89Å; F45-M82 HydrophobicContact CD2-CE 3.46Å; F45-M82 VanDerWaalsContact CD2-CE 3.46Å; F45-M82 HydrophobicContact CD2-CG 4.41Å; F45-M82 HydrophobicContact CD2-SD 3.59Å; F45-M82 VanDerWaalsContact CD2-SD 3.59Å; F45-M82 HydrophobicContact CE1-CB 4.07Å; F45-M82 HydrophobicContact CE2-CB 4.33Å; F45-M82 HydrophobicContact CE2-CE 3.94Å; F45-M82 HydrophobicContact CE2-SD 3.5Å; F45-M82 VanDerWaalsContact CE2-SD 3.5Å; F45-M82 HydrophobicContact CG-CB 3.5Å; F45-M82 VanDerWaalsContact CG-CB 3.5Å; F45-M82 HydrophobicContact CG-CE 4.11Å; F45-M82 HydrophobicContact CG-CG 4.47Å; F45-M82 HydrophobicContact CG-SD 4.21Å; F45-M82 HydrophobicContact CZ-CB 4.41Å; F45-M82 HydrophobicContact CZ-SD 4.06Å; F45-A83 HydrophobicContact CD1-CB 4.26Å; F45-A83 WeakPolarHBondContact O-CA 3.23Å
46L94.6Very high94.3Very high62 Ų6248 Ų4833%0.32524%0.24SC..Hα-helixtrans-66.7-21.6179.1-72.7177.7000113.8R42 E43 Y44 V84 N85R42-L46 HydrophobicContact CG-CD1 3.83Å; R42-L46 HydrophobicContact CG-CG 4.38Å; R42-L46 WeakPolarHBondContact O-CB 3.48Å; R42-L46 VanDerWaalsContact O-CG 3.24Å; R42-L46 WeakPolarHBondContact O-CG 3.44Å; R42-L46 PolarHBondContact O-N 3.15Å; E43-L46 PolarHBondContact O-N 3.01Å; Y44-L46 PolarHBondContact O-N 3.09Å; L46-V84 HydrophobicContact CD2-CG2 3.67Å; L46-N85 WeakPolarHBondContact O-CB 3.48Å; L46-N85 PolarHBondContact O-ND2 2.88Å
47T95Very high94Very high83 Ų8345.9 Ų45.951%0.50923%0.23SC..Hα-helixtrans-96.8-7.4-18054.40000113.4E43 Y44 F45 P49E43-T47 HydrophobicContact CG-CG2 4.28Å; E43-T47 WeakPolarHBondContact O-CB 3.36Å; E43-T47 VanDerWaalsContact O-CG2 3.25Å; E43-T47 WeakPolarHBondContact O-CG2 3.2Å; E43-T47 PolarHBondContact O-N 3.18Å; E43-T47 PolarHBondContact O-OG1 3.27Å; Y44-T47 PolarHBondContact O-N 3.21Å; Y44-T47 PolarHBondContact O-OG1 3.5Å; F45-T47 PolarHBondContact O-N 2.96Å; T47-P49 WeakPolarHBondContact O-CD 3.15Å
48L95Very high93.3Very high22 Ų2249.2 Ų49.212%0.11525%0.246CC..  trans-64.6118.6177-71.9178.5000110.6Y24 Y44 F45 R50 A83 A86Y24-L48 HydrophobicContact CE1-CD1 3.79Å; Y44-L48 HydrophobicContact CD1-CD1 4.37Å; Y44-L48 HydrophobicContact CE1-CD1 3.8Å; Y44-L48 HydrophobicContact CE1-CD2 4.21Å; Y44-L48 HydrophobicContact CE1-CG 4.22Å; Y44-L48 HydrophobicContact CE2-CD2 4.21Å; Y44-L48 WeakPolarHBondContact O-CG 3.29Å; Y44-L48 PolarHBondContact O-N 2.98Å; F45-L48 HydrophobicContact CD1-CD1 3.97Å; F45-L48 PolarHBondContact O-N 2.57Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-A83 HydrophobicContact CB-CB 4.29Å; L48-A83 HydrophobicContact CD1-CB 4.07Å; L48-A86 VanDerWaalsContact O-CA 3.28Å; L48-A86 WeakPolarHBondContact O-CA 3.38Å; L48-A86 PolarHBondContact O-N 2.82Å
49P94Very high92.1Very high87 Ų8747.9 Ų47.957%0.56524%0.243SC*.SBendtrans-76.3-24.3170.131.9-34.1000111.3T47 A86 R87 E88T47-P49 WeakPolarHBondContact O-CD 3.15Å; P49-A86 WeakPolarHBondContact O-CA 3.3Å; P49-R87 PolarHBondContact O-N 2.84Å; P49-E88 PolarHBondContact O-N 3.3Å; P49-E88 VanDerWaalsContact O-N 3.12Å
50R94.8Very high90.5Very high62 Ų6249.1 Ų49.123%0.23425%0.246CC..EExtended strand (participates in β ladder)trans-139137-167.3-179.6-175.1-69.4178.413.7111.1L48 H52 E88 N90 W126L48-R50 VanDerWaalsContact C-N 3.28Å; R50-H52 VanDerWaalsContact CD-CE1 3.47Å; R50-H52 WeakPolarHBondContact CD-CE1 3.36Å; R50-H52 WeakPolarHBondContact CD-NE2 3.09Å; R50-E88 CarbonylContact C-O 3.59Å; R50-E88 VanDerWaalsContact CA-O 3.3Å; R50-E88 WeakPolarHBondContact CA-O 3.34Å; R50-E88 HydrophobicContact CB-CB 3.92Å; R50-E88 HydrophobicContact CG-CB 3.91Å; R50-E88 IonicContact CZ-OE2 2.87Å; R50-E88 IonicContact NE-OE2 2.87Å; R50-E88 PolarHBondContact NE-OE2 2.9Å; R50-E88 IonicContact NH2-OE2 2.63Å; R50-E88 PolarHBondContact NH2-OE2 2.82Å; R50-N90 HydrophobicContact CG-CB 3.99Å; R50-W126 VanDerWaalsContact NH2-CE2 3.29Å
51I93.4Very high88.7Confident5 Ų558.9 Ų58.93%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-102.6133.4172.9-39.6-177.7000108.9Y24 M56 L80 A83 A86 E88 L89 N90 L118Y24-I51 HydrophobicContact CD2-CG2 4.49Å; Y24-I51 HydrophobicContact CE2-CG2 3.51Å; Y24-I51 WeakPolarHBondContact OH-CA 3.34Å; Y24-I51 WeakPolarHBondContact OH-CG2 3.24Å; I51-M56 HydrophobicContact CB-CE 4.07Å; I51-M56 HydrophobicContact CG2-CE 3.21Å; I51-L80 HydrophobicContact CD1-CD2 3.52Å; I51-L80 HydrophobicContact CG2-CD2 4.33Å; I51-A83 HydrophobicContact CD1-CB 3.87Å; I51-A83 HydrophobicContact CG1-CB 3.99Å; I51-A86 HydrophobicContact CD1-CB 3.77Å; I51-A86 HydrophobicContact CG1-CB 3.34Å; I51-E88 PolarHBondContact N-O 3.35Å; I51-L89 HydrophobicContact CB-CD1 4.29Å; I51-N90 PolarHBondContact O-N 2.88Å; I51-L118 HydrophobicContact CD1-CD1 4.12Å
52H93.3Very high86.9Confident64 Ų6461 Ų6130%0.29630%0.297SS..EExtended strand (participates in β ladder)trans-111124.3-173-66.5-105.7000111.5Y24 R50 L54 K55 N90Y24-H52 PolarHBondContact OH-N 2.96Å; R50-H52 VanDerWaalsContact CD-CE1 3.47Å; R50-H52 WeakPolarHBondContact CD-CE1 3.36Å; R50-H52 WeakPolarHBondContact CD-NE2 3.09Å; H52-L54 VanDerWaalsContact C-N 3.27Å; H52-L54 PolarHBondContact O-N 2.98Å; H52-K55 HydrophobicContact CB-CB 4.44Å; H52-K55 HydrophobicContact CB-CG 4.31Å; H52-K55 PolarHBondContact O-N 3.44Å; H52-N90 PolarHBondContact ND1-ND2 2.96Å
53A90.8Very high85Confident0 Ų055.4 Ų55.40%028%0.284CS..G310 helixtrans-54.8-42.7176.300000111.6K55 M56 Y69 M71 N90 L91 V93A53-K55 PolarHBondContact O-N 3.47Å; A53-M56 WeakPolarHBondContact O-CA 3.47Å; A53-M56 VanDerWaalsContact O-CB 3.3Å; A53-M56 WeakPolarHBondContact O-CB 3.43Å; A53-M56 PolarHBondContact O-N 2.91Å; A53-Y69 HydrophobicContact CB-CE1 4.46Å; A53-Y69 WeakPolarHBondContact O-CE1 3.44Å; A53-Y69 PolarHBondContact O-OH 3.08Å; A53-M71 HydrophobicContact CB-SD 4.14Å; A53-N90 WeakPolarHBondContact CB-O 3.28Å; A53-N90 PolarHBondContact N-O 3.48Å; A53-L91 HydrophobicContact CB-CD2 4.08Å; A53-V93 HydrophobicContact CB-CG1 4.1Å
54L90Very high83.1Confident64 Ų6461.1 Ų61.134%0.33531%0.311SS..G310 helixtrans-55.9-25.6176.6-71177000113.7R23 H52 Y69 Y96R23-L54 VanDerWaalsContact CZ-O 3.24Å; R23-L54 PolarHBondContact NH1-O 3.47Å; H52-L54 VanDerWaalsContact C-N 3.27Å; H52-L54 PolarHBondContact O-N 2.98Å; L54-Y69 VanDerWaalsContact C-OH 3.26Å; L54-Y69 VanDerWaalsContact CA-OH 3.26Å; L54-Y69 WeakPolarHBondContact CA-OH 3.38Å; L54-Y69 HydrophobicContact CD2-CE2 4.23Å; L54-Y69 PolarHBondContact O-OH 3.09Å; L54-Y69 VanDerWaalsContact O-OH 3.07Å; L54-Y96 HydrophobicContact CD2-CD2 4.48Å; L54-Y96 HydrophobicContact CD2-CE2 4.22Å
55K92.3Very high81.4Confident26 Ų2671.4 Ų71.411%0.11335%0.35CS..G310 helixtrans-87.5-4.5176.7-70.5-166.4170.6-143.50113.9F19 S20 M22 Y24 Y44 H52 A53 T57F19-K55 PolarHBondContact O-NZ 3.37Å; S20-K55 WeakPolarHBondContact O-CE 3.45Å; S20-K55 PolarHBondContact O-NZ 2.93Å; M22-K55 WeakPolarHBondContact O-CD 3.47Å; M22-K55 WeakPolarHBondContact O-CE 3.39Å; M22-K55 PolarHBondContact O-NZ 2.76Å; Y24-K55 HydrophobicContact CD1-CB 4.32Å; Y24-K55 HydrophobicContact CD1-CD 4.46Å; Y24-K55 HydrophobicContact CD2-CB 3.7Å; Y24-K55 WeakPolarHBondContact CD2-O 3.3Å; Y24-K55 HydrophobicContact CE1-CB 4.14Å; Y24-K55 HydrophobicContact CE1-CD 3.92Å; Y24-K55 HydrophobicContact CE2-CB 3.46Å; Y24-K55 VanDerWaalsContact CE2-CB 3.46Å; Y24-K55 HydrophobicContact CG-CB 4.12Å; Y24-K55 PolarHBondContact N-O 3.4Å; Y44-K55 PolarHBondContact OH-NZ 2.93Å; H52-K55 HydrophobicContact CB-CB 4.44Å; H52-K55 HydrophobicContact CB-CG 4.31Å; H52-K55 PolarHBondContact O-N 3.44Å; A53-K55 PolarHBondContact O-N 3.47Å; K55-T57 VanDerWaalsContact C-N 3.31Å; K55-T57 PolarHBondContact O-N 2.78Å
56M90.6Very high80.1Confident1 Ų175.5 Ų75.51%0.00537%0.37CS..SBendtrans-94.444.1-179.3-56.8171.8178.800111.5Y24 I51 A53 M71 C72 L76 L80 L89Y24-M56 HydrophobicContact CD2-CG 3.86Å; Y24-M56 HydrophobicContact CE2-CE 4.4Å; Y24-M56 HydrophobicContact CE2-CG 3.94Å; I51-M56 HydrophobicContact CB-CE 4.07Å; I51-M56 HydrophobicContact CG2-CE 3.21Å; A53-M56 WeakPolarHBondContact O-CA 3.47Å; A53-M56 VanDerWaalsContact O-CB 3.3Å; A53-M56 WeakPolarHBondContact O-CB 3.43Å; A53-M56 PolarHBondContact O-N 2.91Å; M56-M71 HydrophobicContact CB-CB 4.37Å; M56-M71 HydrophobicContact CB-CG 4.13Å; M56-M71 HydrophobicContact CB-SD 4.41Å; M56-M71 CarbonylContact O-C 3.53Å; M56-M71 VanDerWaalsContact O-CA 3.28Å; M56-M71 WeakPolarHBondContact O-CA 3.1Å; M56-M71 HydrophobicContact SD-SD 3.72Å; M56-C72 PolarHBondContact O-N 3.46Å; M56-L76 HydrophobicContact CB-CB 4.42Å; M56-L76 HydrophobicContact CE-CD1 3.97Å; M56-L76 HydrophobicContact CG-CD1 4.47Å; M56-L76 HydrophobicContact SD-CB 4.41Å; M56-L76 HydrophobicContact SD-CD1 3.34Å; M56-L76 WeakPolarHBondContact SD-CD1 3.5Å; M56-L80 HydrophobicContact CE-CD2 4.04Å; M56-L89 HydrophobicContact CE-CD1 4.04Å
57T87.4Confident79.3Confident7 Ų776.5 Ų76.54%0.04338%0.379CS..  trans-140.6160.3176.1-1740000110.5R23 K55 D59 Y69R23-T57 WeakPolarHBondContact CB-O 3.29Å; R23-T57 VanDerWaalsContact CG-O 3.32Å; R23-T57 WeakPolarHBondContact CG-O 3.48Å; K55-T57 VanDerWaalsContact C-N 3.31Å; K55-T57 PolarHBondContact O-N 2.78Å; T57-D59 VanDerWaalsContact CG2-O 3.3Å; T57-D59 WeakPolarHBondContact CG2-O 3.4Å; T57-D59 PolarHBondContact OG1-N 3.46Å; T57-D59 VanDerWaalsContact OG1-N 3.09Å; T57-Y69 VanDerWaalsContact CB-OH 3.28Å; T57-Y69 WeakPolarHBondContact CB-OH 3.36Å; T57-Y69 HydrophobicContact CG2-CE2 4.11Å; T57-Y69 WeakPolarHBondContact CG2-OH 3.48Å
58H79.7Confident78.7Confident104 Ų10474.5 Ų74.548%0.48137%0.368SS..SBendtrans-87.6-25.1166-69116.5000112.1C72H58-C72 PolarHBondContact CE1-SG 3.32Å; H58-C72 PolarHBondContact ND1-SG 3.24Å
59D71.2Confident78.3Confident85 Ų8573.6 Ų73.646%0.45536%0.363SS..  trans-76.6128.2-173.1-67.5-31.9000110.4T57 W61T57-D59 VanDerWaalsContact CG2-O 3.3Å; T57-D59 WeakPolarHBondContact CG2-O 3.4Å; T57-D59 PolarHBondContact OG1-N 3.46Å; T57-D59 VanDerWaalsContact OG1-N 3.09Å; D59-W61 VanDerWaalsContact C-N 3.3Å; D59-W61 PolarHBondContact O-N 2.95Å
60P59.5Low77.8Confident84 Ų8474 Ų7455%0.54536%0.359SS..SBendtrans-71.2-23.6-171.624.8-32.3000113R23R23-P60 PolarHBondContact NH2-O 3.33Å
61W57.9Low77.4Confident204 Ų20472.2 Ų72.277%0.77335%0.353SS*.SBendtrans-147147.1-172.2-6794.2000113.7D59 S63D59-W61 VanDerWaalsContact C-N 3.3Å; D59-W61 PolarHBondContact O-N 2.95Å; W61-S63 PolarHBondContact O-N 3.34Å
62P59Low77Confident45 Ų4573 Ų7329%0.29236%0.359SS..  trans-57.1112.2157.3-9.723.4000107.6P95 Y96P62-P95 HydrophobicContact CB-CG 4.13Å; P62-P95 HydrophobicContact CG-CG 4.16Å; P62-Y96 WeakPolarHBondContact CA-OH 3.33Å; P62-Y96 HydrophobicContact CB-CE1 3.88Å; P62-Y96 HydrophobicContact CB-CE2 3.85Å; P62-Y96 VanDerWaalsContact CB-CZ 3.45Å; P62-Y96 HydrophobicContact CG-CE2 3.74Å
63S57.4Low76.6Confident57 Ų5773.8 Ų73.840%0.39937%0.37SS..  trans-67.6136155.870.50000106.5W61 R65 M66W61-S63 PolarHBondContact O-N 3.34Å; S63-R65 PolarHBondContact O-N 3.22Å; S63-M66 PolarHBondContact O-N 3.38Å; S63-M66 WeakPolarHBondContact OG-CG 3.45Å
64E56.2Low76.4Confident204 Ų20477.2 Ų77.295%0.95339%0.394SS*.THydrogen-bonded Turntrans-53.3-19.1175.6-65.7178.2166.200112.6
65R61.7Low76.5Confident232 Ų23274.1 Ų74.188%0.87538%0.378SS*.THydrogen-bonded Turntrans-80.2-19.3179-61.2-173.5-178.5-165.30.6114.1S63 T67S63-R65 PolarHBondContact O-N 3.22Å; R65-T67 PolarHBondContact O-N 3.42Å
66M67.5Low76.3Confident87 Ų8773.3 Ų73.343%0.42937%0.374SS..  trans-83.5107.6-176.4-83.3178.7143.500111.2S63 S68 Y96S63-M66 PolarHBondContact O-N 3.38Å; S63-M66 WeakPolarHBondContact OG-CG 3.45Å; M66-S68 VanDerWaalsContact C-N 3.33Å; M66-Y96 HydrophobicContact CB-CD1 4.05Å; M66-Y96 HydrophobicContact CB-CE1 3.8Å; M66-Y96 WeakPolarHBondContact O-CD1 3.48Å; M66-Y96 HydrophobicContact SD-CE1 4.47Å
67T78.5Confident76.1Confident83 Ų8377.3 Ų77.351%0.50939%0.393SS..SBendtrans-73.6-26.2174.752.90000112.7R65 K97 S98R65-T67 PolarHBondContact O-N 3.42Å; T67-K97 HydrophobicContact CG2-CD 4.4Å; T67-K97 WeakPolarHBondContact O-CA 3.18Å; T67-K97 VanDerWaalsContact O-CB 3.26Å; T67-K97 WeakPolarHBondContact O-CB 3.28Å; T67-K97 PolarHBondContact O-N 2.74Å; T67-S98 PolarHBondContact O-N 3.5Å
68S82.8Confident76.3Confident41 Ų4178 Ų7829%0.28740%0.396SS..EExtended strand (participates in β ladder)trans-124.2139.5-177.764.60000111.7M66 S98M66-S68 VanDerWaalsContact C-N 3.33Å; S68-S98 CarbonylContact C-O 3.57Å; S68-S98 WeakPolarHBondContact CA-O 3.3Å; S68-S98 WeakPolarHBondContact CB-OG 3.11Å
69Y85.9Confident76.9Confident4 Ų473 Ų732%0.01637%0.373CS..EExtended strand (participates in β ladder)trans-87.8126.1174.1-175.1-113.5000110A53 L54 T57 M71 V93 Y96 S98 L99 A100A53-Y69 HydrophobicContact CB-CE1 4.46Å; A53-Y69 WeakPolarHBondContact O-CE1 3.44Å; A53-Y69 PolarHBondContact O-OH 3.08Å; L54-Y69 VanDerWaalsContact C-OH 3.26Å; L54-Y69 VanDerWaalsContact CA-OH 3.26Å; L54-Y69 WeakPolarHBondContact CA-OH 3.38Å; L54-Y69 HydrophobicContact CD2-CE2 4.23Å; L54-Y69 PolarHBondContact O-OH 3.09Å; L54-Y69 VanDerWaalsContact O-OH 3.07Å; T57-Y69 VanDerWaalsContact CB-OH 3.28Å; T57-Y69 WeakPolarHBondContact CB-OH 3.36Å; T57-Y69 HydrophobicContact CG2-CE2 4.11Å; T57-Y69 WeakPolarHBondContact CG2-OH 3.48Å; Y69-M71 HydrophobicContact CD1-CG 4.14Å; Y69-M71 HydrophobicContact CE1-CG 3.68Å; Y69-V93 HydrophobicContact CD1-CB 4.05Å; Y69-V93 HydrophobicContact CD1-CG1 3.34Å; Y69-V93 HydrophobicContact CE1-CG1 3.99Å; Y69-V93 HydrophobicContact CG-CB 3.99Å; Y69-V93 HydrophobicContact CG-CG1 3.82Å; Y69-Y96 HydrophobicContact CD2-CD1 4.37Å; Y69-Y96 AromaticContact CD2-CD2 3.49Å; Y69-Y96 HydrophobicContact CD2-CD2 3.49Å; Y69-Y96 VanDerWaalsContact CD2-CD2 3.49Å; Y69-Y96 HydrophobicContact CD2-CE1 4.06Å; Y69-Y96 AromaticContact CD2-CE2 3.18Å; Y69-Y96 HydrophobicContact CD2-CE2 3.18Å; Y69-Y96 HydrophobicContact CD2-CG 4.11Å; Y69-Y96 AromaticContact CD2-CZ 3.46Å; Y69-Y96 VanDerWaalsContact CD2-CZ 3.46Å; Y69-Y96 HydrophobicContact CE2-CD2 4.41Å; Y69-Y96 AromaticContact CE2-CE2 3.77Å; Y69-Y96 HydrophobicContact CE2-CE2 3.77Å; Y69-Y96 AromaticContact CG-CD2 3.87Å; Y69-Y96 HydrophobicContact CG-CD2 3.87Å; Y69-Y96 HydrophobicContact CG-CE2 4.04Å; Y69-Y96 HydrophobicContact CG-CG 4.29Å; Y69-S98 PolarHBondContact N-O 3.04Å; Y69-L99 HydrophobicContact CD1-CD1 3.6Å; Y69-L99 HydrophobicContact CE1-CD1 4.46Å; Y69-L99 HydrophobicContact CG-CD1 4.45Å; Y69-A100 WeakPolarHBondContact O-CB 3.43Å; Y69-A100 PolarHBondContact O-N 3.36Å
70M83.9Confident77.8Confident96 Ų9669 Ų6947%0.47335%0.351SS..  trans-106.4123.7172.9-167.4173.1-50.800110.2A100 R105M70-A100 HydrophobicContact CB-CB 4.34Å; M70-A100 HydrophobicContact CE-CB 4.48Å; M70-R105 PolarHBondContact SD-NH1 3.37Å
71M86.1Confident79.2Confident24 Ų2467.2 Ų67.212%0.11834%0.341CS..  trans-76.1135167.5-69.7-179.9-57.700109.5A53 M56 Y69 P73 L99 L109A53-M71 HydrophobicContact CB-SD 4.14Å; M56-M71 HydrophobicContact CB-CB 4.37Å; M56-M71 HydrophobicContact CB-CG 4.13Å; M56-M71 HydrophobicContact CB-SD 4.41Å; M56-M71 CarbonylContact O-C 3.53Å; M56-M71 VanDerWaalsContact O-CA 3.28Å; M56-M71 WeakPolarHBondContact O-CA 3.1Å; M56-M71 HydrophobicContact SD-SD 3.72Å; Y69-M71 HydrophobicContact CD1-CG 4.14Å; Y69-M71 HydrophobicContact CE1-CG 3.68Å; M71-P73 WeakPolarHBondContact O-CD 3.32Å; M71-L99 HydrophobicContact CE-CD1 4.03Å; M71-L99 HydrophobicContact CE-CD2 3.79Å; M71-L99 HydrophobicContact CE-CG 4.39Å; M71-L99 HydrophobicContact CG-CD1 4Å; M71-L99 HydrophobicContact SD-CD1 4.24Å; M71-L109 HydrophobicContact CE-CD1 4.23Å; M71-L109 HydrophobicContact CE-CD2 4.05Å
72C86.3Confident80.8Confident20 Ų2059.8 Ų59.814%0.13532%0.316CS..  trans-75.7125.2168.8175.90000109.7M56 H58 S74 C75 L76M56-C72 PolarHBondContact O-N 3.46Å; H58-C72 PolarHBondContact CE1-SG 3.32Å; H58-C72 PolarHBondContact ND1-SG 3.24Å; C72-S74 VanDerWaalsContact C-N 3.25Å; C72-S74 PolarHBondContact O-N 3Å; C72-S74 PolarHBondContact SG-N 3.15Å; C72-C75 HydrophobicContact CB-CB 4.05Å; C72-C75 PolarHBondContact O-N 3.11Å; C72-L76 VanDerWaalsContact O-CB 3.29Å; C72-L76 WeakPolarHBondContact O-CB 3.45Å; C72-L76 PolarHBondContact O-N 2.89Å
73P83.5Confident82.4Confident82 Ų8257.7 Ų57.753%0.53230%0.302SS..Hα-helixtrans-54.1-38.9177.4-2835.8000113.8M71 H77M71-P73 WeakPolarHBondContact O-CD 3.32Å; P73-H77 WeakPolarHBondContact O-CB 3.39Å; P73-H77 PolarHBondContact O-N 3.21Å
74S87.3Confident83.9Confident71 Ų7157.7 Ų57.750%0.49730%0.299SS..Hα-helixtrans-68.6-46.1179-51.70000112.2C72 L76 H77 I78C72-S74 VanDerWaalsContact C-N 3.25Å; C72-S74 PolarHBondContact O-N 3Å; C72-S74 PolarHBondContact SG-N 3.15Å; S74-L76 VanDerWaalsContact C-N 3.32Å; S74-L76 PolarHBondContact O-N 2.66Å; S74-H77 PolarHBondContact O-N 3.25Å; S74-I78 VanDerWaalsContact O-CG1 3.28Å; S74-I78 WeakPolarHBondContact O-CG1 3.46Å; S74-I78 PolarHBondContact O-N 2.99Å
75C91.3Very high85.6Confident0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-66.8-36.7177.9-57.30000112C72 G79C72-C75 HydrophobicContact CB-CB 4.05Å; C72-C75 PolarHBondContact O-N 3.11Å; C75-G79 PolarHBondContact O-N 2.88Å
76L87.9Confident87.1Confident8 Ų840.4 Ų40.44%0.04223%0.231CC..Hα-helixtrans-58.5-55.4170.8170.668.3000110.3M56 C72 S74 I78 G79 L80 L109 I112M56-L76 HydrophobicContact CB-CB 4.42Å; M56-L76 HydrophobicContact CE-CD1 3.97Å; M56-L76 HydrophobicContact CG-CD1 4.47Å; M56-L76 HydrophobicContact SD-CB 4.41Å; M56-L76 HydrophobicContact SD-CD1 3.34Å; M56-L76 WeakPolarHBondContact SD-CD1 3.5Å; C72-L76 VanDerWaalsContact O-CB 3.29Å; C72-L76 WeakPolarHBondContact O-CB 3.45Å; C72-L76 PolarHBondContact O-N 2.89Å; S74-L76 VanDerWaalsContact C-N 3.32Å; S74-L76 PolarHBondContact O-N 2.66Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-I78 PolarHBondContact O-N 3.27Å; L76-G79 PolarHBondContact O-N 2.95Å; L76-L80 HydrophobicContact CD1-CD1 3.52Å; L76-L80 HydrophobicContact CD1-CD2 4.45Å; L76-L80 HydrophobicContact CD1-CG 3.86Å; L76-L80 HydrophobicContact CG-CD1 3.99Å; L76-L80 HydrophobicContact CG-CG 4.44Å; L76-L80 VanDerWaalsContact O-CG 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.29Å; L76-L80 PolarHBondContact O-N 3.25Å; L76-L109 HydrophobicContact CD1-CD1 3.43Å; L76-L109 VanDerWaalsContact CD1-CD1 3.43Å; L76-L109 HydrophobicContact CD2-CB 4.36Å; L76-L109 HydrophobicContact CD2-CD1 3.42Å; L76-L109 VanDerWaalsContact CD2-CD1 3.42Å; L76-L109 HydrophobicContact CG-CD1 4Å; L76-I112 HydrophobicContact CD2-CD1 3.75Å; L76-I112 HydrophobicContact CG-CD1 4.25Å
77H87.8Confident88.3Confident85 Ų8541 Ų4139%0.39423%0.229SC..Hα-helixtrans-56.3-46.3-179.7179.782.1000111.9P73 S74 L80 S81 I112P73-H77 WeakPolarHBondContact O-CB 3.39Å; P73-H77 PolarHBondContact O-N 3.21Å; S74-H77 PolarHBondContact O-N 3.25Å; H77-L80 PolarHBondContact O-N 2.89Å; H77-S81 VanDerWaalsContact O-CB 3.23Å; H77-S81 WeakPolarHBondContact O-CB 3.24Å; H77-S81 PolarHBondContact O-N 2.83Å; H77-S81 PolarHBondContact O-OG 2.85Å; H77-I112 HydrophobicContact CB-CG2 4.45Å
78I91.8Very high89.1Confident21 Ų2139.5 Ų39.511%0.10822%0.216CC..Hα-helixtrans-58.2-52.2175.8-71.2165.9000111.1Y28 F45 S74 L76 L80 S81 M82Y28-I78 HydrophobicContact CD1-CD1 4.01Å; Y28-I78 HydrophobicContact CD2-CG2 4.28Å; Y28-I78 HydrophobicContact CG-CD1 3.97Å; Y28-I78 HydrophobicContact CG-CG1 4.3Å; Y28-I78 HydrophobicContact CG-CG2 4.18Å; F45-I78 HydrophobicContact CE1-CG2 4.43Å; F45-I78 HydrophobicContact CZ-CG2 3.91Å; S74-I78 VanDerWaalsContact O-CG1 3.28Å; S74-I78 WeakPolarHBondContact O-CG1 3.46Å; S74-I78 PolarHBondContact O-N 2.99Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-I78 PolarHBondContact O-N 3.27Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 3.25Å; I78-S81 PolarHBondContact O-N 2.97Å; I78-S81 PolarHBondContact O-OG 2.97Å; I78-M82 HydrophobicContact CG2-CG 4.43Å; I78-M82 HydrophobicContact CG2-SD 4.17Å; I78-M82 VanDerWaalsContact O-CB 3.24Å; I78-M82 WeakPolarHBondContact O-CB 3.3Å; I78-M82 WeakPolarHBondContact O-CG 3.23Å; I78-M82 PolarHBondContact O-N 2.94Å
79G92.1Very high89.6Confident0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-57.2-45.9-178.800000112C75 L76 A83C75-G79 PolarHBondContact O-N 2.88Å; L76-G79 PolarHBondContact O-N 2.95Å; G79-A83 WeakPolarHBondContact O-CB 3.33Å; G79-A83 PolarHBondContact O-N 3.43Å; G79-A83 VanDerWaalsContact O-N 3.08Å
80L88.7Confident90Very high0 Ų038.6 Ų38.60%021%0.208CC..Hα-helixtrans-72.9-41.3-178-62.3-173.3000113.4I51 M56 L76 H77 I78 I112 F113 A116 L118I51-L80 HydrophobicContact CD1-CD2 3.52Å; I51-L80 HydrophobicContact CG2-CD2 4.33Å; M56-L80 HydrophobicContact CE-CD2 4.04Å; L76-L80 HydrophobicContact CD1-CD1 3.52Å; L76-L80 HydrophobicContact CD1-CD2 4.45Å; L76-L80 HydrophobicContact CD1-CG 3.86Å; L76-L80 HydrophobicContact CG-CD1 3.99Å; L76-L80 HydrophobicContact CG-CG 4.44Å; L76-L80 VanDerWaalsContact O-CG 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.29Å; L76-L80 PolarHBondContact O-N 3.25Å; H77-L80 PolarHBondContact O-N 2.89Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 3.25Å; L80-I112 HydrophobicContact CB-CG2 4.06Å; L80-I112 HydrophobicContact CD1-CB 4.21Å; L80-I112 HydrophobicContact CD1-CG2 3.53Å; L80-I112 HydrophobicContact CG-CG2 4.33Å; L80-F113 HydrophobicContact CD1-CD1 3.41Å; L80-F113 VanDerWaalsContact CD1-CD1 3.41Å; L80-F113 HydrophobicContact CD1-CE1 3.39Å; L80-F113 HydrophobicContact CD1-CG 4.01Å; L80-F113 HydrophobicContact CD1-CZ 3.96Å; L80-F113 HydrophobicContact CD2-CD1 3.86Å; L80-F113 HydrophobicContact CD2-CE1 3.3Å; L80-F113 HydrophobicContact CD2-CZ 4.18Å; L80-F113 HydrophobicContact CG-CD1 4.22Å; L80-F113 HydrophobicContact CG-CE1 3.98Å; L80-A116 HydrophobicContact CB-CB 4.3Å; L80-L118 HydrophobicContact CB-CD1 3.93Å; L80-L118 HydrophobicContact CD2-CD1 3.72Å; L80-L118 HydrophobicContact CG-CD1 4.29Å
81S89Confident90.4Very high48 Ų4834.1 Ų34.134%0.33619%0.186SC..Hα-helixtrans-76.3-30.2-177.567.40000112.9H77 I78 V84H77-S81 VanDerWaalsContact O-CB 3.23Å; H77-S81 WeakPolarHBondContact O-CB 3.24Å; H77-S81 PolarHBondContact O-N 2.83Å; H77-S81 PolarHBondContact O-OG 2.85Å; I78-S81 PolarHBondContact O-N 2.97Å; I78-S81 PolarHBondContact O-OG 2.97Å; S81-V84 WeakPolarHBondContact O-CG1 3.39Å
82M92.3Very high90.7Very high48 Ų4834 Ų3424%0.23619%0.187CC..Hα-helixtrans-89.8-38.6-179.6-66-157.968.600113.5Y28 V41 F45 I78 V84Y28-M82 HydrophobicContact CD2-SD 3.59Å; Y28-M82 VanDerWaalsContact CD2-SD 3.59Å; Y28-M82 HydrophobicContact CE2-SD 4.28Å; V41-M82 HydrophobicContact CG1-CE 4.21Å; F45-M82 HydrophobicContact CB-CB 3.78Å; F45-M82 HydrophobicContact CB-CE 4.38Å; F45-M82 HydrophobicContact CD1-CB 3.6Å; F45-M82 HydrophobicContact CD2-CB 3.89Å; F45-M82 HydrophobicContact CD2-CE 3.46Å; F45-M82 VanDerWaalsContact CD2-CE 3.46Å; F45-M82 HydrophobicContact CD2-CG 4.41Å; F45-M82 HydrophobicContact CD2-SD 3.59Å; F45-M82 VanDerWaalsContact CD2-SD 3.59Å; F45-M82 HydrophobicContact CE1-CB 4.07Å; F45-M82 HydrophobicContact CE2-CB 4.33Å; F45-M82 HydrophobicContact CE2-CE 3.94Å; F45-M82 HydrophobicContact CE2-SD 3.5Å; F45-M82 VanDerWaalsContact CE2-SD 3.5Å; F45-M82 HydrophobicContact CG-CB 3.5Å; F45-M82 VanDerWaalsContact CG-CB 3.5Å; F45-M82 HydrophobicContact CG-CE 4.11Å; F45-M82 HydrophobicContact CG-CG 4.47Å; F45-M82 HydrophobicContact CG-SD 4.21Å; F45-M82 HydrophobicContact CZ-CB 4.41Å; F45-M82 HydrophobicContact CZ-SD 4.06Å; I78-M82 HydrophobicContact CG2-CG 4.43Å; I78-M82 HydrophobicContact CG2-SD 4.17Å; I78-M82 VanDerWaalsContact O-CB 3.24Å; I78-M82 WeakPolarHBondContact O-CB 3.3Å; I78-M82 WeakPolarHBondContact O-CG 3.23Å; I78-M82 PolarHBondContact O-N 2.94Å; M82-V84 PolarHBondContact O-N 2.86Å
83A93.2Very high90.8Very high0 Ų033 Ų330%018%0.181CC..  trans-80.650.8179.800000111.5F45 L48 I51 G79 N85 A86F45-A83 HydrophobicContact CD1-CB 4.26Å; F45-A83 WeakPolarHBondContact O-CA 3.23Å; L48-A83 HydrophobicContact CB-CB 4.29Å; L48-A83 HydrophobicContact CD1-CB 4.07Å; I51-A83 HydrophobicContact CD1-CB 3.87Å; I51-A83 HydrophobicContact CG1-CB 3.99Å; G79-A83 WeakPolarHBondContact O-CB 3.33Å; G79-A83 PolarHBondContact O-N 3.43Å; G79-A83 VanDerWaalsContact O-N 3.08Å; A83-N85 PolarHBondContact O-N 2.9Å; A83-A86 HydrophobicContact CB-CB 4.15Å; A83-A86 WeakPolarHBondContact O-CB 3.4Å; A83-A86 PolarHBondContact O-N 2.78Å
84V88.9Confident90.9Very high57 Ų5731 Ų3135%0.34517%0.171SC..THydrogen-bonded Turntrans-57.2-25.9-174-62.30000112.2L46 S81 M82 K121L46-V84 HydrophobicContact CD2-CG2 3.67Å; S81-V84 WeakPolarHBondContact O-CG1 3.39Å; M82-V84 PolarHBondContact O-N 2.86Å; V84-K121 WeakPolarHBondContact O-CE 3.34Å; V84-K121 PolarHBondContact O-NZ 3.06Å
85N91.2Very high90.8Very high73 Ų7332.5 Ų32.539%0.3918%0.179SC..THydrogen-bonded Turntrans-89.1-4.7179.4-71-31.5000114.6L46 A83 R87L46-N85 WeakPolarHBondContact O-CB 3.48Å; L46-N85 PolarHBondContact O-ND2 2.88Å; A83-N85 PolarHBondContact O-N 2.9Å; N85-R87 PolarHBondContact O-N 2.83Å; N85-R87 PolarHBondContact O-NH1 3.18Å
86A93Very high90.5Very high1 Ų133 Ų331%0.00818%0.181CC..  trans-64.5138.8176.800000110.6L48 P49 I51 A83L48-A86 VanDerWaalsContact O-CA 3.28Å; L48-A86 WeakPolarHBondContact O-CA 3.38Å; L48-A86 PolarHBondContact O-N 2.82Å; P49-A86 WeakPolarHBondContact O-CA 3.3Å; I51-A86 HydrophobicContact CD1-CB 3.77Å; I51-A86 HydrophobicContact CG1-CB 3.34Å; A83-A86 HydrophobicContact CB-CB 4.15Å; A83-A86 WeakPolarHBondContact O-CB 3.4Å; A83-A86 PolarHBondContact O-N 2.78Å
87R93Very high90.4Very high99 Ų9940.1 Ų40.137%0.37421%0.211SC..  trans-117.2-3.9176.7-59.4-55.6-164.8-76.62112P49 N85 K121 V122 R123P49-R87 PolarHBondContact O-N 2.84Å; N85-R87 PolarHBondContact O-N 2.83Å; N85-R87 PolarHBondContact O-NH1 3.18Å; R87-K121 WeakPolarHBondContact CD-O 3.28Å; R87-K121 VanDerWaalsContact NE-CE 3.27Å; R87-K121 VanDerWaalsContact NH2-CE 3.25Å; R87-V122 CarbonylContact O-C 3.5Å; R87-V122 WeakPolarHBondContact O-CA 3.2Å; R87-R123 PolarHBondContact O-N 3.17Å
88E95.4Very high90.2Very high51 Ų5138.4 Ų38.424%0.23821%0.209CC..EExtended strand (participates in β ladder)trans-125.7142.9-179.3-52.2-174.4-168.900110.9P49 R50 I51 L124 W126P49-E88 PolarHBondContact O-N 3.3Å; P49-E88 VanDerWaalsContact O-N 3.12Å; R50-E88 CarbonylContact C-O 3.59Å; R50-E88 VanDerWaalsContact CA-O 3.3Å; R50-E88 WeakPolarHBondContact CA-O 3.34Å; R50-E88 HydrophobicContact CB-CB 3.92Å; R50-E88 HydrophobicContact CG-CB 3.91Å; R50-E88 IonicContact CZ-OE2 2.87Å; R50-E88 IonicContact NE-OE2 2.87Å; R50-E88 PolarHBondContact NE-OE2 2.9Å; R50-E88 IonicContact NH2-OE2 2.63Å; R50-E88 PolarHBondContact NH2-OE2 2.82Å; I51-E88 PolarHBondContact N-O 3.35Å; E88-L124 VanDerWaalsContact CA-O 3.29Å; E88-L124 WeakPolarHBondContact CA-O 3.07Å; E88-L124 HydrophobicContact CG-CB 4.16Å; E88-W126 PolarHBondContact OE2-NE1 2.85Å
89L92.6Very high89.8Confident2 Ų238 Ų381%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-118.6118.6172.7-178.268.1000108.4I51 M56 L91 F113 V122 L124 I125 W126I51-L89 HydrophobicContact CB-CD1 4.29Å; M56-L89 HydrophobicContact CE-CD1 4.04Å; L89-L91 HydrophobicContact CD1-CD2 4.03Å; L89-L91 HydrophobicContact CD2-CD1 3.86Å; L89-L91 HydrophobicContact CD2-CD2 3.7Å; L89-L91 HydrophobicContact CD2-CG 3.71Å; L89-L91 HydrophobicContact CG-CD1 4.47Å; L89-L91 HydrophobicContact CG-CD2 3.73Å; L89-L91 HydrophobicContact CG-CG 3.79Å; L89-F113 HydrophobicContact CD1-CE1 4.21Å; L89-F113 HydrophobicContact CD1-CZ 4.04Å; L89-F113 HydrophobicContact CD2-CE1 4.06Å; L89-F113 HydrophobicContact CD2-CE2 4.2Å; L89-F113 HydrophobicContact CD2-CZ 3.44Å; L89-F113 VanDerWaalsContact CD2-CZ 3.44Å; L89-F113 HydrophobicContact CG-CZ 4.38Å; L89-V122 HydrophobicContact CB-CG1 4.26Å; L89-L124 PolarHBondContact N-O 3.11Å; L89-I125 HydrophobicContact CB-CG1 4.32Å; L89-I125 HydrophobicContact CB-CG2 4.42Å; L89-I125 HydrophobicContact CD2-CG2 4.32Å; L89-I125 CarbonylContact O-C 3.48Å; L89-I125 VanDerWaalsContact O-CA 3.24Å; L89-I125 WeakPolarHBondContact O-CA 3.49Å; L89-W126 PolarHBondContact O-N 3.45Å
90N94.4Very high89.1Confident25 Ų2539 Ų3913%0.13422%0.216CC..EExtended strand (participates in β ladder)trans-99.4103.4173.1-179.6-2.2000109.4R50 I51 H52 A53 C92 W126R50-N90 HydrophobicContact CG-CB 3.99Å; I51-N90 PolarHBondContact O-N 2.88Å; H52-N90 PolarHBondContact ND1-ND2 2.96Å; A53-N90 WeakPolarHBondContact CB-O 3.28Å; A53-N90 PolarHBondContact N-O 3.48Å; N90-C92 WeakPolarHBondContact OD1-CB 3.15Å; N90-C92 PolarHBondContact OD1-N 2.94Å; N90-C92 PolarHBondContact OD1-SG 3.31Å; N90-W126 HydrophobicContact CB-CB 4.2Å; N90-W126 HydrophobicContact CB-CG 4.39Å
91L92.4Very high88.4Confident2 Ų240.9 Ų40.91%0.0123%0.227CC..  trans-92.87177.6-65.4-177.6000112.8A53 L89 V93 I125 W126 L127 T131 L138A53-L91 HydrophobicContact CB-CD2 4.08Å; L89-L91 HydrophobicContact CD1-CD2 4.03Å; L89-L91 HydrophobicContact CD2-CD1 3.86Å; L89-L91 HydrophobicContact CD2-CD2 3.7Å; L89-L91 HydrophobicContact CD2-CG 3.71Å; L89-L91 HydrophobicContact CG-CD1 4.47Å; L89-L91 HydrophobicContact CG-CD2 3.73Å; L89-L91 HydrophobicContact CG-CG 3.79Å; L91-V93 WeakPolarHBondContact O-CG1 3.38Å; L91-V93 PolarHBondContact O-N 2.87Å; L91-I125 HydrophobicContact CD1-CG2 3.92Å; L91-I125 HydrophobicContact CG-CG2 4.15Å; L91-W126 WeakPolarHBondContact CA-O 3.35Å; L91-W126 PolarHBondContact N-O 2.59Å; L91-L127 HydrophobicContact CB-CD2 3.9Å; L91-L127 HydrophobicContact CD1-CD2 4.13Å; L91-T131 WeakPolarHBondContact O-CG2 3.49Å; L91-T131 PolarHBondContact O-OG1 3.32Å; L91-L138 HydrophobicContact CD1-CD1 3.81Å; L91-L138 HydrophobicContact CD1-CD2 3.87Å; L91-L138 HydrophobicContact CD1-CG 4.49Å
92C91.7Very high87.6Confident21 Ų2142.3 Ų42.314%0.14223%0.231CC..  trans-59.8132.2173.4-59.80000110.6N90 D128N90-C92 WeakPolarHBondContact OD1-CB 3.15Å; N90-C92 PolarHBondContact OD1-N 2.94Å; N90-C92 PolarHBondContact OD1-SG 3.31Å; C92-D128 VanDerWaalsContact CA-OD2 3.23Å; C92-D128 WeakPolarHBondContact CA-OD2 3.47Å; C92-D128 HydrophobicContact CB-CB 4.11Å; C92-D128 WeakPolarHBondContact CB-OD2 3.41Å; C92-D128 PolarHBondContact SG-N 2.83Å
93V89Confident86.7Confident0 Ų045.8 Ų45.80%025%0.25CS..  trans-131.618.2179.2-58.40000112.2A53 Y69 L91 Y96 L99 D128 T131A53-V93 HydrophobicContact CB-CG1 4.1Å; Y69-V93 HydrophobicContact CD1-CB 4.05Å; Y69-V93 HydrophobicContact CD1-CG1 3.34Å; Y69-V93 HydrophobicContact CE1-CG1 3.99Å; Y69-V93 HydrophobicContact CG-CB 3.99Å; Y69-V93 HydrophobicContact CG-CG1 3.82Å; L91-V93 WeakPolarHBondContact O-CG1 3.38Å; L91-V93 PolarHBondContact O-N 2.87Å; V93-Y96 HydrophobicContact CB-CD2 4.28Å; V93-Y96 WeakPolarHBondContact O-CA 3.23Å; V93-Y96 VanDerWaalsContact O-CB 3.25Å; V93-Y96 WeakPolarHBondContact O-CB 3.3Å; V93-Y96 WeakPolarHBondContact O-CD2 3.26Å; V93-Y96 PolarHBondContact O-N 3.25Å; V93-L99 HydrophobicContact CG1-CD1 4.14Å; V93-D128 PolarHBondContact N-OD2 3.21Å; V93-T131 HydrophobicContact CG1-CG2 4.35Å; V93-T131 HydrophobicContact CG2-CG2 3.74Å
94A85.7Confident85.9Confident40 Ų4050.7 Ų50.733%0.33128%0.277SS..THydrogen-bonded Turntrans-52.5137.4167.400000110.4D128 T152A94-D128 PolarHBondContact N-OD2 3.35Å; A94-T152 HydrophobicContact CB-CG2 4.02Å
95P84.4Confident85.1Confident102 Ų10252.6 Ų52.666%0.66228%0.278SS*.THydrogen-bonded Turncis-90.26.311.937.1-37.2000115.6P62P62-P95 HydrophobicContact CB-CG 4.13Å; P62-P95 HydrophobicContact CG-CG 4.16Å
96Y86.4Confident84.4Confident10 Ų1050.3 Ų50.34%0.03927%0.265CS..SBendtrans-63.4143.6175.6-55.7-86.8000110.1L54 P62 M66 Y69 V93 S130L54-Y96 HydrophobicContact CD2-CD2 4.48Å; L54-Y96 HydrophobicContact CD2-CE2 4.22Å; P62-Y96 WeakPolarHBondContact CA-OH 3.33Å; P62-Y96 HydrophobicContact CB-CE1 3.88Å; P62-Y96 HydrophobicContact CB-CE2 3.85Å; P62-Y96 VanDerWaalsContact CB-CZ 3.45Å; P62-Y96 HydrophobicContact CG-CE2 3.74Å; M66-Y96 HydrophobicContact CB-CD1 4.05Å; M66-Y96 HydrophobicContact CB-CE1 3.8Å; M66-Y96 WeakPolarHBondContact O-CD1 3.48Å; M66-Y96 HydrophobicContact SD-CE1 4.47Å; Y69-Y96 HydrophobicContact CD2-CD1 4.37Å; Y69-Y96 AromaticContact CD2-CD2 3.49Å; Y69-Y96 HydrophobicContact CD2-CD2 3.49Å; Y69-Y96 VanDerWaalsContact CD2-CD2 3.49Å; Y69-Y96 HydrophobicContact CD2-CE1 4.06Å; Y69-Y96 AromaticContact CD2-CE2 3.18Å; Y69-Y96 HydrophobicContact CD2-CE2 3.18Å; Y69-Y96 HydrophobicContact CD2-CG 4.11Å; Y69-Y96 AromaticContact CD2-CZ 3.46Å; Y69-Y96 VanDerWaalsContact CD2-CZ 3.46Å; Y69-Y96 HydrophobicContact CE2-CD2 4.41Å; Y69-Y96 AromaticContact CE2-CE2 3.77Å; Y69-Y96 HydrophobicContact CE2-CE2 3.77Å; Y69-Y96 AromaticContact CG-CD2 3.87Å; Y69-Y96 HydrophobicContact CG-CD2 3.87Å; Y69-Y96 HydrophobicContact CG-CE2 4.04Å; Y69-Y96 HydrophobicContact CG-CG 4.29Å; V93-Y96 HydrophobicContact CB-CD2 4.28Å; V93-Y96 WeakPolarHBondContact O-CA 3.23Å; V93-Y96 VanDerWaalsContact O-CB 3.25Å; V93-Y96 WeakPolarHBondContact O-CB 3.3Å; V93-Y96 WeakPolarHBondContact O-CD2 3.26Å; V93-Y96 PolarHBondContact O-N 3.25Å; Y96-S130 WeakPolarHBondContact O-CB 2.88Å; Y96-S130 PolarHBondContact O-OG 3.13Å
97K85Confident83.8Confident157 Ų15755.2 Ų55.268%0.68329%0.287SS*.SBendtrans-77.7-22.7-176.9-59.1-175.3176.6-178.30113.4T67 S130T67-K97 HydrophobicContact CG2-CD 4.4Å; T67-K97 WeakPolarHBondContact O-CA 3.18Å; T67-K97 VanDerWaalsContact O-CB 3.26Å; T67-K97 WeakPolarHBondContact O-CB 3.28Å; T67-K97 PolarHBondContact O-N 2.74Å; K97-S130 WeakPolarHBondContact O-CA 3.32Å; K97-S130 WeakPolarHBondContact O-CB 3.32Å; K97-S130 PolarHBondContact O-OG 3.39Å
98S84.3Confident83.2Confident49 Ų4953.8 Ų53.834%0.34329%0.289SS..EExtended strand (participates in β ladder)trans-153.4160.3177.662.30000111.7T67 S68 Y69 S130T67-S98 PolarHBondContact O-N 3.5Å; S68-S98 CarbonylContact C-O 3.57Å; S68-S98 WeakPolarHBondContact CA-O 3.3Å; S68-S98 WeakPolarHBondContact CB-OG 3.11Å; Y69-S98 PolarHBondContact N-O 3.04Å; S98-S130 WeakPolarHBondContact CA-O 3.43Å
99L82.1Confident82.4Confident12 Ų1251.6 Ų51.66%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-83.2127.9159.6-174.571.3000108.9Y69 M71 V93 T101 T131 L134Y69-L99 HydrophobicContact CD1-CD1 3.6Å; Y69-L99 HydrophobicContact CE1-CD1 4.46Å; Y69-L99 HydrophobicContact CG-CD1 4.45Å; M71-L99 HydrophobicContact CE-CD1 4.03Å; M71-L99 HydrophobicContact CE-CD2 3.79Å; M71-L99 HydrophobicContact CE-CG 4.39Å; M71-L99 HydrophobicContact CG-CD1 4Å; M71-L99 HydrophobicContact SD-CD1 4.24Å; V93-L99 HydrophobicContact CG1-CD1 4.14Å; L99-T101 VanDerWaalsContact C-N 3.28Å; L99-T101 HydrophobicContact CD2-CG2 3.52Å; L99-T101 HydrophobicContact CG-CG2 3.78Å; L99-T101 PolarHBondContact O-N 3.22Å; L99-T131 HydrophobicContact CB-CG2 3.96Å; L99-L134 HydrophobicContact CB-CD1 4.35Å; L99-L134 HydrophobicContact CD2-CD1 3.61Å
100A78.7Confident81.8Confident22 Ų2251.8 Ų51.818%0.18228%0.28CS..  trans-75.277.4177.100000111.1Y69 M70 R105Y69-A100 WeakPolarHBondContact O-CB 3.43Å; Y69-A100 PolarHBondContact O-N 3.36Å; M70-A100 HydrophobicContact CB-CB 4.34Å; M70-A100 HydrophobicContact CE-CB 4.48Å; A100-R105 WeakPolarHBondContact O-CD 3.32Å; A100-R105 PolarHBondContact O-NH1 2.73Å
101T73Confident81.3Confident39 Ų3954.1 Ų54.124%0.23929%0.292CS..  trans-115123.617548.90000111.3L99 L106L99-T101 VanDerWaalsContact C-N 3.28Å; L99-T101 HydrophobicContact CD2-CG2 3.52Å; L99-T101 HydrophobicContact CG-CG2 3.78Å; L99-T101 PolarHBondContact O-N 3.22Å; T101-L106 HydrophobicContact CG2-CD2 3.74Å; T101-L106 HydrophobicContact CG2-CG 4.29Å
102D72.4Confident80.7Confident78 Ų7854.9 Ų54.942%0.41730%0.296SS..  trans-97.6173158.357.148.8000109.5D104 R105 L106D102-D104 PolarHBondContact O-N 3.3Å; D102-D104 PolarHBondContact OD1-N 2.82Å; D102-D104 VanDerWaalsContact OD1-N 3.1Å; D102-R105 PolarHBondContact O-N 2.94Å; D102-R105 WeakPolarHBondContact OD1-CB 3.4Å; D102-R105 VanDerWaalsContact OD1-CG 3.26Å; D102-R105 WeakPolarHBondContact OD1-CG 3.37Å; D102-R105 PolarHBondContact OD1-N 3.03Å; D102-R105 WeakPolarHBondContact OD2-CD 3.44Å; D102-R105 IonicContact OD2-NE 2.76Å; D102-R105 PolarHBondContact OD2-NE 2.84Å; D102-R105 VanDerWaalsContact OD2-NE 3.16Å; D102-L106 WeakPolarHBondContact O-CG 3.48Å; D102-L106 PolarHBondContact O-N 2.77Å
103D73.5Confident80.2Confident121 Ų12154 Ų5465%0.64729%0.289SS*.Hα-helixtrans-58.5-33.8-178.3-76.2-15.2000113L106 K107D103-L106 PolarHBondContact O-N 2.96Å; D103-K107 VanDerWaalsContact O-CG 3.23Å; D103-K107 WeakPolarHBondContact O-CG 3.34Å; D103-K107 PolarHBondContact O-N 2.87Å
104D77Confident79.8Confident103 Ų10361.3 Ų61.355%0.55132%0.317SS*.Hα-helixtrans-76.5-35.5-178.4-69.1-25.8000111.9D102 K107 T108D102-D104 PolarHBondContact O-N 3.3Å; D102-D104 PolarHBondContact OD1-N 2.82Å; D102-D104 VanDerWaalsContact OD1-N 3.1Å; D104-K107 PolarHBondContact O-N 3.09Å; D104-K107 IonicContact OD1-NZ 3Å; D104-K107 PolarHBondContact OD1-NZ 3.04Å; D104-T108 WeakPolarHBondContact O-CB 3.48Å; D104-T108 PolarHBondContact O-N 3.07Å; D104-T108 PolarHBondContact O-OG1 3.31Å
105R72.9Confident79.6Confident97 Ų9765.8 Ų65.837%0.36633%0.331SS..Hα-helixtrans-67.3-40.3170.3-70.6172-174.5-143.3-10.5111.5M70 A100 D102 T108 L109M70-R105 PolarHBondContact SD-NH1 3.37Å; A100-R105 WeakPolarHBondContact O-CD 3.32Å; A100-R105 PolarHBondContact O-NH1 2.73Å; D102-R105 PolarHBondContact O-N 2.94Å; D102-R105 WeakPolarHBondContact OD1-CB 3.4Å; D102-R105 VanDerWaalsContact OD1-CG 3.26Å; D102-R105 WeakPolarHBondContact OD1-CG 3.37Å; D102-R105 PolarHBondContact OD1-N 3.03Å; D102-R105 WeakPolarHBondContact OD2-CD 3.44Å; D102-R105 IonicContact OD2-NE 2.76Å; D102-R105 PolarHBondContact OD2-NE 2.84Å; D102-R105 VanDerWaalsContact OD2-NE 3.16Å; R105-T108 PolarHBondContact O-N 3.44Å; R105-L109 WeakPolarHBondContact O-CB 3.42Å; R105-L109 PolarHBondContact O-N 3.23Å
106L75.4Confident79.2Confident25 Ų2562.4 Ų62.413%0.13131%0.312CS..Hα-helixtrans-61.1-48.9173.2-74.4178.4000110.3T101 D102 D103 T108 L109 F110 L134T101-L106 HydrophobicContact CG2-CD2 3.74Å; T101-L106 HydrophobicContact CG2-CG 4.29Å; D102-L106 WeakPolarHBondContact O-CG 3.48Å; D102-L106 PolarHBondContact O-N 2.77Å; D103-L106 PolarHBondContact O-N 2.96Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.07Å; L106-L109 HydrophobicContact CD2-CD2 4.42Å; L106-L109 WeakPolarHBondContact O-CB 3.36Å; L106-L109 PolarHBondContact O-N 3.33Å; L106-F110 VanDerWaalsContact C-CD2 3.48Å; L106-F110 HydrophobicContact CB-CD2 4.18Å; L106-F110 HydrophobicContact CB-CE2 3.82Å; L106-F110 HydrophobicContact CD2-CE2 4.14Å; L106-F110 HydrophobicContact CD2-CZ 4.41Å; L106-F110 HydrophobicContact CG-CE2 4.44Å; L106-F110 WeakPolarHBondContact O-CB 3.1Å; L106-F110 WeakPolarHBondContact O-CD2 3.28Å; L106-F110 WeakPolarHBondContact O-CG 3.48Å; L106-F110 PolarHBondContact O-N 2.78Å; L106-L134 HydrophobicContact CD2-CD2 4.31Å
107K80.7Confident78.7Confident105 Ų10564.2 Ų64.246%0.45733%0.333SS..Hα-helixtrans-56.2-45.1174.4-72.6169.2-156156.70111.9D103 D104 F110 N111D103-K107 VanDerWaalsContact O-CG 3.23Å; D103-K107 WeakPolarHBondContact O-CG 3.34Å; D103-K107 PolarHBondContact O-N 2.87Å; D104-K107 PolarHBondContact O-N 3.09Å; D104-K107 IonicContact OD1-NZ 3Å; D104-K107 PolarHBondContact OD1-NZ 3.04Å; K107-F110 PolarHBondContact O-N 2.88Å; K107-N111 WeakPolarHBondContact O-CB 3.33Å; K107-N111 PolarHBondContact O-N 3.42Å; K107-N111 PolarHBondContact O-ND2 3.48Å
108T80.2Confident78.3Confident69 Ų6956.8 Ų56.842%0.42330%0.301SS..Hα-helixtrans-60.7-48.7177.9-59.20000111D104 R105 L106 F110 N111 I112D104-T108 WeakPolarHBondContact O-CB 3.48Å; D104-T108 PolarHBondContact O-N 3.07Å; D104-T108 PolarHBondContact O-OG1 3.31Å; R105-T108 PolarHBondContact O-N 3.44Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.07Å; T108-F110 PolarHBondContact O-N 3.35Å; T108-N111 PolarHBondContact O-N 3.2Å; T108-I112 HydrophobicContact CG2-CD1 4.03Å; T108-I112 VanDerWaalsContact O-CG1 3.28Å; T108-I112 WeakPolarHBondContact O-CG1 3.29Å; T108-I112 PolarHBondContact O-N 2.96Å
109L78.3Confident77.9Confident5 Ų556 Ų563%0.02629%0.293CS..Hα-helixtrans-56.4-48.3175.9173.466.3000111.3M71 L76 R105 L106 I112 F113M71-L109 HydrophobicContact CE-CD1 4.23Å; M71-L109 HydrophobicContact CE-CD2 4.05Å; L76-L109 HydrophobicContact CD1-CD1 3.43Å; L76-L109 VanDerWaalsContact CD1-CD1 3.43Å; L76-L109 HydrophobicContact CD2-CB 4.36Å; L76-L109 HydrophobicContact CD2-CD1 3.42Å; L76-L109 VanDerWaalsContact CD2-CD1 3.42Å; L76-L109 HydrophobicContact CG-CD1 4Å; R105-L109 WeakPolarHBondContact O-CB 3.42Å; R105-L109 PolarHBondContact O-N 3.23Å; L106-L109 HydrophobicContact CD2-CD2 4.42Å; L106-L109 WeakPolarHBondContact O-CB 3.36Å; L106-L109 PolarHBondContact O-N 3.33Å; L109-I112 PolarHBondContact O-N 2.94Å; L109-F113 HydrophobicContact CD1-CD2 4.01Å; L109-F113 HydrophobicContact CD1-CE2 3.33Å; L109-F113 HydrophobicContact CD1-CZ 3.73Å; L109-F113 HydrophobicContact CD2-CE2 4.01Å; L109-F113 HydrophobicContact CG-CD2 3.88Å; L109-F113 HydrophobicContact CG-CE2 3.4Å; L109-F113 HydrophobicContact CG-CZ 4.28Å; L109-F113 WeakPolarHBondContact O-CD2 3.33Å; L109-F113 WeakPolarHBondContact O-CG 3.4Å; L109-F113 PolarHBondContact O-N 3.33Å
110F80.4Confident77.8Confident6 Ų662.3 Ų62.33%0.02633%0.327CS..Hα-helixtrans-68.4-34.2178.5-64.3-54.2000113.3L106 K107 T108 F113 R114 L138 Y141 F142L106-F110 VanDerWaalsContact C-CD2 3.48Å; L106-F110 HydrophobicContact CB-CD2 4.18Å; L106-F110 HydrophobicContact CB-CE2 3.82Å; L106-F110 HydrophobicContact CD2-CE2 4.14Å; L106-F110 HydrophobicContact CD2-CZ 4.41Å; L106-F110 HydrophobicContact CG-CE2 4.44Å; L106-F110 WeakPolarHBondContact O-CB 3.1Å; L106-F110 WeakPolarHBondContact O-CD2 3.28Å; L106-F110 WeakPolarHBondContact O-CG 3.48Å; L106-F110 PolarHBondContact O-N 2.78Å; K107-F110 PolarHBondContact O-N 2.88Å; T108-F110 PolarHBondContact O-N 3.35Å; F110-F113 HydrophobicContact CD1-CD2 4.02Å; F110-F113 PolarHBondContact O-N 3.36Å; F110-R114 WeakPolarHBondContact O-CB 3.42Å; F110-R114 PolarHBondContact O-N 2.88Å; F110-L138 HydrophobicContact CE1-CD2 4.22Å; F110-L138 HydrophobicContact CZ-CD2 4.36Å; F110-Y141 HydrophobicContact CB-CD1 3.83Å; F110-Y141 HydrophobicContact CB-CE1 3.92Å; F110-Y141 HydrophobicContact CB-CG 4.32Å; F110-Y141 AromaticContact CD1-CD1 3.86Å; F110-Y141 HydrophobicContact CD1-CD1 3.86Å; F110-Y141 AromaticContact CD1-CD2 3.86Å; F110-Y141 HydrophobicContact CD1-CD2 3.86Å; F110-Y141 AromaticContact CD1-CG 3.47Å; F110-Y141 HydrophobicContact CD1-CG 3.47Å; F110-Y141 VanDerWaalsContact CD1-CG 3.47Å; F110-Y141 AromaticContact CD2-CD1 3.82Å; F110-Y141 HydrophobicContact CD2-CD1 3.82Å; F110-Y141 AromaticContact CD2-CD2 3.43Å; F110-Y141 HydrophobicContact CD2-CD2 3.43Å; F110-Y141 VanDerWaalsContact CD2-CD2 3.43Å; F110-Y141 AromaticContact CD2-CE1 3.69Å; F110-Y141 HydrophobicContact CD2-CE1 3.69Å; F110-Y141 AromaticContact CD2-CE2 3.33Å; F110-Y141 HydrophobicContact CD2-CE2 3.33Å; F110-Y141 AromaticContact CD2-CG 3.69Å; F110-Y141 HydrophobicContact CD2-CG 3.69Å; F110-Y141 AromaticContact CD2-CZ 3.44Å; F110-Y141 VanDerWaalsContact CD2-CZ 3.44Å; F110-Y141 VanDerWaalsContact CE1-CB 3.45Å; F110-Y141 HydrophobicContact CE1-CD1 4.4Å; F110-Y141 AromaticContact CE1-CD2 3.59Å; F110-Y141 HydrophobicContact CE1-CD2 3.59Å; F110-Y141 HydrophobicContact CE1-CE2 4.44Å; F110-Y141 AromaticContact CE1-CG 3.57Å; F110-Y141 HydrophobicContact CE1-CG 3.57Å; F110-Y141 HydrophobicContact CE2-CD1 4.38Å; F110-Y141 AromaticContact CE2-CD2 3.14Å; F110-Y141 HydrophobicContact CE2-CD2 3.14Å; F110-Y141 HydrophobicContact CE2-CE1 4.38Å; F110-Y141 AromaticContact CE2-CE2 3.18Å; F110-Y141 HydrophobicContact CE2-CE2 3.18Å; F110-Y141 AromaticContact CE2-CG 3.8Å; F110-Y141 HydrophobicContact CE2-CG 3.8Å; F110-Y141 AromaticContact CE2-CZ 3.83Å; F110-Y141 AromaticContact CG-CD1 3.56Å; F110-Y141 HydrophobicContact CG-CD1 3.56Å; F110-Y141 AromaticContact CG-CD2 3.82Å; F110-Y141 HydrophobicContact CG-CD2 3.82Å; F110-Y141 AromaticContact CG-CE1 3.81Å; F110-Y141 HydrophobicContact CG-CE1 3.81Å; F110-Y141 HydrophobicContact CG-CE2 4.09Å; F110-Y141 AromaticContact CG-CG 3.56Å; F110-Y141 HydrophobicContact CG-CG 3.56Å; F110-Y141 AromaticContact CZ-CD2 3.24Å; F110-Y141 HydrophobicContact CZ-CD2 3.24Å; F110-Y141 AromaticContact CZ-CE2 3.81Å; F110-Y141 HydrophobicContact CZ-CE2 3.81Å; F110-Y141 AromaticContact CZ-CG 3.75Å; F110-Y141 HydrophobicContact CZ-CG 3.75Å; F110-F142 HydrophobicContact CD1-CE2 4.07Å; F110-F142 HydrophobicContact CE1-CD2 4.3Å; F110-F142 AromaticContact CE1-CE2 3.81Å; F110-F142 HydrophobicContact CE1-CE2 3.81Å
111N84.7Confident78.2Confident74 Ų7464 Ų6440%0.39633%0.33SS..Hα-helixtrans-63.8-44.1172.5-77.3-21.8000111.2K107 T108 F113 R114 E115K107-N111 WeakPolarHBondContact O-CB 3.33Å; K107-N111 PolarHBondContact O-N 3.42Å; K107-N111 PolarHBondContact O-ND2 3.48Å; T108-N111 PolarHBondContact O-N 3.2Å; N111-F113 VanDerWaalsContact C-N 3.34Å; N111-F113 PolarHBondContact O-N 3.14Å; N111-R114 WeakPolarHBondContact O-CB 2.97Å; N111-R114 PolarHBondContact O-N 3.4Å; N111-E115 WeakPolarHBondContact O-CB 3.24Å; N111-E115 WeakPolarHBondContact O-CG 3.39Å; N111-E115 PolarHBondContact O-N 3.22Å
112I79.9Confident79Confident17 Ų1762.4 Ų62.49%0.08732%0.32CS..Hα-helixtrans-62.8-42.7175.2-63.2163.9000110.4L76 H77 L80 T108 L109 R114 E115 A116L76-I112 HydrophobicContact CD2-CD1 3.75Å; L76-I112 HydrophobicContact CG-CD1 4.25Å; H77-I112 HydrophobicContact CB-CG2 4.45Å; L80-I112 HydrophobicContact CB-CG2 4.06Å; L80-I112 HydrophobicContact CD1-CB 4.21Å; L80-I112 HydrophobicContact CD1-CG2 3.53Å; L80-I112 HydrophobicContact CG-CG2 4.33Å; T108-I112 HydrophobicContact CG2-CD1 4.03Å; T108-I112 VanDerWaalsContact O-CG1 3.28Å; T108-I112 WeakPolarHBondContact O-CG1 3.29Å; T108-I112 PolarHBondContact O-N 2.96Å; L109-I112 PolarHBondContact O-N 2.94Å; I112-R114 VanDerWaalsContact C-N 3.31Å; I112-R114 PolarHBondContact O-N 2.91Å; I112-E115 PolarHBondContact O-N 3.45Å; I112-A116 VanDerWaalsContact O-CB 3.29Å; I112-A116 WeakPolarHBondContact O-CB 3.48Å; I112-A116 PolarHBondContact O-N 3Å
113F79.7Confident80Confident2 Ų267.5 Ų67.51%0.00933%0.334CS..Hα-helixtrans-60.7-40.2175-75.7-57.1000112.9L80 L89 L109 F110 N111 G117 L118 L119 F142L80-F113 HydrophobicContact CD1-CD1 3.41Å; L80-F113 VanDerWaalsContact CD1-CD1 3.41Å; L80-F113 HydrophobicContact CD1-CE1 3.39Å; L80-F113 HydrophobicContact CD1-CG 4.01Å; L80-F113 HydrophobicContact CD1-CZ 3.96Å; L80-F113 HydrophobicContact CD2-CD1 3.86Å; L80-F113 HydrophobicContact CD2-CE1 3.3Å; L80-F113 HydrophobicContact CD2-CZ 4.18Å; L80-F113 HydrophobicContact CG-CD1 4.22Å; L80-F113 HydrophobicContact CG-CE1 3.98Å; L89-F113 HydrophobicContact CD1-CE1 4.21Å; L89-F113 HydrophobicContact CD1-CZ 4.04Å; L89-F113 HydrophobicContact CD2-CE1 4.06Å; L89-F113 HydrophobicContact CD2-CE2 4.2Å; L89-F113 HydrophobicContact CD2-CZ 3.44Å; L89-F113 VanDerWaalsContact CD2-CZ 3.44Å; L89-F113 HydrophobicContact CG-CZ 4.38Å; L109-F113 HydrophobicContact CD1-CD2 4.01Å; L109-F113 HydrophobicContact CD1-CE2 3.33Å; L109-F113 HydrophobicContact CD1-CZ 3.73Å; L109-F113 HydrophobicContact CD2-CE2 4.01Å; L109-F113 HydrophobicContact CG-CD2 3.88Å; L109-F113 HydrophobicContact CG-CE2 3.4Å; L109-F113 HydrophobicContact CG-CZ 4.28Å; L109-F113 WeakPolarHBondContact O-CD2 3.33Å; L109-F113 WeakPolarHBondContact O-CG 3.4Å; L109-F113 PolarHBondContact O-N 3.33Å; F110-F113 HydrophobicContact CD1-CD2 4.02Å; F110-F113 PolarHBondContact O-N 3.36Å; N111-F113 VanDerWaalsContact C-N 3.34Å; N111-F113 PolarHBondContact O-N 3.14Å; F113-G117 PolarHBondContact O-N 2.95Å; F113-L118 HydrophobicContact CD1-CB 4.08Å; F113-L118 HydrophobicContact CD1-CD1 3.96Å; F113-L118 HydrophobicContact CE1-CD1 4.39Å; F113-L118 PolarHBondContact O-N 3.39Å; F113-L119 HydrophobicContact CB-CD2 3.63Å; F113-L119 HydrophobicContact CB-CG 4.13Å; F113-F142 HydrophobicContact CB-CZ 4.07Å; F113-F142 HydrophobicContact CD1-CE1 4.48Å; F113-F142 AromaticContact CD1-CZ 3.88Å; F113-F142 HydrophobicContact CD1-CZ 3.88Å; F113-F142 AromaticContact CD2-CE2 3.95Å; F113-F142 HydrophobicContact CD2-CE2 3.95Å; F113-F142 AromaticContact CD2-CZ 3.5Å; F113-F142 HydrophobicContact CD2-CZ 3.5Å; F113-F142 VanDerWaalsContact CD2-CZ 3.5Å; F113-F142 HydrophobicContact CE1-CZ 4.12Å; F113-F142 HydrophobicContact CE2-CE2 4.01Å; F113-F142 AromaticContact CE2-CZ 3.75Å; F113-F142 HydrophobicContact CE2-CZ 3.75Å; F113-F142 HydrophobicContact CG-CE1 4.39Å; F113-F142 HydrophobicContact CG-CE2 4.47Å; F113-F142 AromaticContact CG-CZ 3.59Å; F113-F142 HydrophobicContact CG-CZ 3.59Å; F113-F142 HydrophobicContact CZ-CZ 4.1Å
114R80.6Confident81.1Confident155 Ų15562.9 Ų62.959%0.58531%0.309SS*.Hα-helixtrans-64.1-48.7176.7-173.6-178.761.9125.54.7111F110 N111 I112 A116 G117 L119F110-R114 WeakPolarHBondContact O-CB 3.42Å; F110-R114 PolarHBondContact O-N 2.88Å; N111-R114 WeakPolarHBondContact O-CB 2.97Å; N111-R114 PolarHBondContact O-N 3.4Å; I112-R114 VanDerWaalsContact C-N 3.31Å; I112-R114 PolarHBondContact O-N 2.91Å; R114-A116 VanDerWaalsContact C-N 3.31Å; R114-A116 PolarHBondContact O-N 2.93Å; R114-G117 PolarHBondContact O-N 2.81Å; R114-L119 HydrophobicContact CB-CD1 3.64Å; R114-L119 HydrophobicContact CB-CG 4.31Å; R114-L119 HydrophobicContact CG-CD1 3.98Å
115E81.2Confident81.9Confident134 Ų13458 Ų5863%0.62628%0.283SS*.Hα-helixtrans-61.7-38.7178.1-74.1170.8-169.400112N111 I112 G117N111-E115 WeakPolarHBondContact O-CB 3.24Å; N111-E115 WeakPolarHBondContact O-CG 3.39Å; N111-E115 PolarHBondContact O-N 3.22Å; I112-E115 PolarHBondContact O-N 3.45Å; E115-G117 PolarHBondContact O-N 2.7Å
116A76.9Confident83Confident30 Ų3055.1 Ų55.125%0.24827%0.272CS..THydrogen-bonded Turntrans-74.3-1.8174.600000113.6L80 I112 R114 L118L80-A116 HydrophobicContact CB-CB 4.3Å; I112-A116 VanDerWaalsContact O-CB 3.29Å; I112-A116 WeakPolarHBondContact O-CB 3.48Å; I112-A116 PolarHBondContact O-N 3Å; R114-A116 VanDerWaalsContact C-N 3.31Å; R114-A116 PolarHBondContact O-N 2.93Å; A116-L118 HydrophobicContact CB-CD1 3.9Å; A116-L118 HydrophobicContact CB-CG 3.8Å; A116-L118 PolarHBondContact O-N 3.41Å
117G75.6Confident84Confident48 Ų4854.3 Ų54.350%0.49527%0.268SS..THydrogen-bonded Turntrans63.723.2-177.200000113.7F113 R114 E115F113-G117 PolarHBondContact O-N 2.95Å; R114-G117 PolarHBondContact O-N 2.81Å; E115-G117 PolarHBondContact O-N 2.7Å
118L77.6Confident84.6Confident1 Ų149.4 Ų49.41%0.00525%0.247CC..  trans-86.6-22.6-173.9-69.6179.3000113.5I51 L80 F113 A116 N120 K121 V122I51-L118 HydrophobicContact CD1-CD1 4.12Å; L80-L118 HydrophobicContact CB-CD1 3.93Å; L80-L118 HydrophobicContact CD2-CD1 3.72Å; L80-L118 HydrophobicContact CG-CD1 4.29Å; F113-L118 HydrophobicContact CD1-CB 4.08Å; F113-L118 HydrophobicContact CD1-CD1 3.96Å; F113-L118 HydrophobicContact CE1-CD1 4.39Å; F113-L118 PolarHBondContact O-N 3.39Å; A116-L118 HydrophobicContact CB-CD1 3.9Å; A116-L118 HydrophobicContact CB-CG 3.8Å; A116-L118 PolarHBondContact O-N 3.41Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 3.45Å; L118-K121 HydrophobicContact CD2-CD 4.14Å; L118-K121 PolarHBondContact O-N 3.03Å; L118-V122 HydrophobicContact CB-CG2 4.21Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 3.25Å
119L75.4Confident85.1Confident33 Ų3351.1 Ų51.117%0.17325%0.25CC..THydrogen-bonded Turntrans-54.8-40.9-174.3-67.9-179.3000113.8F113 R114 K121 F142F113-L119 HydrophobicContact CB-CD2 3.63Å; F113-L119 HydrophobicContact CB-CG 4.13Å; R114-L119 HydrophobicContact CB-CD1 3.64Å; R114-L119 HydrophobicContact CB-CG 4.31Å; R114-L119 HydrophobicContact CG-CD1 3.98Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-F142 HydrophobicContact CD2-CD1 4.15Å; L119-F142 HydrophobicContact CD2-CE1 3.71Å; L119-F142 HydrophobicContact CD2-CE2 4.23Å; L119-F142 HydrophobicContact CD2-CZ 3.76Å; L119-F142 WeakPolarHBondContact O-CD1 3.49Å
120N80.3Confident85.7Confident145 Ų14552 Ų5278%0.77526%0.257SS*.THydrogen-bonded Turntrans-90.7-1.3-179.7-63-27000113.4L118L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 3.45Å
121K86.4Confident86.2Confident56 Ų5651.8 Ų51.824%0.24326%0.255CS..THydrogen-bonded Turntrans-112.8-35.3-165.6-177.3175.2-169.1164.10112.2V84 R87 L118 L119 R123V84-K121 WeakPolarHBondContact O-CE 3.34Å; V84-K121 PolarHBondContact O-NZ 3.06Å; R87-K121 WeakPolarHBondContact CD-O 3.28Å; R87-K121 VanDerWaalsContact NE-CE 3.27Å; R87-K121 VanDerWaalsContact NH2-CE 3.25Å; L118-K121 HydrophobicContact CD2-CD 4.14Å; L118-K121 PolarHBondContact O-N 3.03Å; L119-K121 VanDerWaalsContact C-N 3.34Å; K121-R123 PolarHBondContact O-N 2.78Å
122V89.8Confident86.5Confident7 Ų753.1 Ų53.14%0.04226%0.258CS..  trans-62.6123.5173.51750000108.3R87 L89 L118 I125 F142 A145R87-V122 CarbonylContact O-C 3.5Å; R87-V122 WeakPolarHBondContact O-CA 3.2Å; L89-V122 HydrophobicContact CB-CG1 4.26Å; L118-V122 HydrophobicContact CB-CG2 4.21Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 3.25Å; V122-I125 HydrophobicContact CG1-CD1 4.21Å; V122-I125 HydrophobicContact CG1-CG1 3.67Å; V122-F142 HydrophobicContact CB-CD1 3.89Å; V122-F142 HydrophobicContact CB-CE1 3.92Å; V122-F142 HydrophobicContact CG1-CD1 4.36Å; V122-F142 HydrophobicContact CG1-CE1 4.47Å; V122-F142 HydrophobicContact CG2-CD1 4.39Å; V122-F142 HydrophobicContact CG2-CE1 3.9Å; V122-A145 HydrophobicContact CG1-CB 4.29Å
123R93.5Very high87Confident184 Ų18457.3 Ų57.369%0.69429%0.286SS*.  trans-104.8-23.3-179.2-65.1-173176.2-168.2-3.1112.8R87 K121 A145 E146R87-R123 PolarHBondContact O-N 3.17Å; K121-R123 PolarHBondContact O-N 2.78Å; R123-A145 WeakPolarHBondContact O-CA 3.25Å; R123-E146 PolarHBondContact O-N 3.19Å
124L96Very high87.3Confident24 Ų2458.2 Ų58.213%0.12629%0.291CS..EExtended strand (participates in β ladder)trans-143.2129.1-174.4-173.262.8000110.1E88 L89 W126 E146 K148E88-L124 VanDerWaalsContact CA-O 3.29Å; E88-L124 WeakPolarHBondContact CA-O 3.07Å; E88-L124 HydrophobicContact CG-CB 4.16Å; L89-L124 PolarHBondContact N-O 3.11Å; L124-W126 HydrophobicContact CD2-CD2 4.48Å; L124-W126 VanDerWaalsContact CD2-CE2 3.49Å; L124-W126 HydrophobicContact CD2-CH2 4.4Å; L124-W126 HydrophobicContact CD2-CZ2 3.41Å; L124-W126 VanDerWaalsContact CD2-CZ2 3.41Å; L124-W126 HydrophobicContact CG-CZ2 4.42Å; L124-E146 CarbonylContact C-O 3.58Å; L124-E146 WeakPolarHBondContact CA-O 3.48Å; L124-E146 HydrophobicContact CD1-CB 3.88Å; L124-E146 HydrophobicContact CD1-CG 4.05Å; L124-K148 HydrophobicContact CD1-CB 3.74Å; L124-K148 HydrophobicContact CD1-CD 4.35Å
125I95.1Very high87.8Confident0 Ų051.3 Ų51.30%027%0.268CS..EExtended strand (participates in β ladder)trans-120.2120175.2-53.6177.2000108.7L89 L91 V122 L127 L138 F142 A145 E146 L147 K148L89-I125 HydrophobicContact CB-CG1 4.32Å; L89-I125 HydrophobicContact CB-CG2 4.42Å; L89-I125 HydrophobicContact CD2-CG2 4.32Å; L89-I125 CarbonylContact O-C 3.48Å; L89-I125 VanDerWaalsContact O-CA 3.24Å; L89-I125 WeakPolarHBondContact O-CA 3.49Å; L91-I125 HydrophobicContact CD1-CG2 3.92Å; L91-I125 HydrophobicContact CG-CG2 4.15Å; V122-I125 HydrophobicContact CG1-CD1 4.21Å; V122-I125 HydrophobicContact CG1-CG1 3.67Å; I125-L127 HydrophobicContact CG2-CD2 4.19Å; I125-L127 HydrophobicContact CG2-CG 4.46Å; I125-L138 HydrophobicContact CD1-CB 4.37Å; I125-L138 HydrophobicContact CD1-CD2 4.27Å; I125-L138 HydrophobicContact CG2-CD1 4.12Å; I125-F142 HydrophobicContact CD1-CB 3.89Å; I125-F142 HydrophobicContact CD1-CD1 4.46Å; I125-F142 HydrophobicContact CD1-CD2 3.69Å; I125-F142 HydrophobicContact CD1-CE2 4.26Å; I125-F142 HydrophobicContact CD1-CG 3.79Å; I125-A145 HydrophobicContact CD1-CB 3.98Å; I125-A145 HydrophobicContact CG1-CB 4.02Å; I125-E146 PolarHBondContact N-O 2.78Å; I125-L147 HydrophobicContact CB-CD2 3.75Å; I125-L147 HydrophobicContact CD1-CD2 4.01Å; I125-L147 HydrophobicContact CG1-CD2 4.25Å; I125-L147 HydrophobicContact CG2-CD2 4.39Å; I125-K148 PolarHBondContact O-N 3.1Å
126W96.6Very high88.2Confident37 Ų3749.8 Ų49.814%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-91130.2179.2-52.673.9000109.8R50 E88 L89 N90 L91 L124 K148 V150R50-W126 VanDerWaalsContact NH2-CE2 3.29Å; E88-W126 PolarHBondContact OE2-NE1 2.85Å; L89-W126 PolarHBondContact O-N 3.45Å; N90-W126 HydrophobicContact CB-CB 4.2Å; N90-W126 HydrophobicContact CB-CG 4.39Å; L91-W126 WeakPolarHBondContact CA-O 3.35Å; L91-W126 PolarHBondContact N-O 2.59Å; L124-W126 HydrophobicContact CD2-CD2 4.48Å; L124-W126 VanDerWaalsContact CD2-CE2 3.49Å; L124-W126 HydrophobicContact CD2-CH2 4.4Å; L124-W126 HydrophobicContact CD2-CZ2 3.41Å; L124-W126 VanDerWaalsContact CD2-CZ2 3.41Å; L124-W126 HydrophobicContact CG-CZ2 4.42Å; W126-K148 WeakPolarHBondContact CA-O 3.42Å; W126-K148 HydrophobicContact CD2-CD 4.34Å; W126-K148 HydrophobicContact CE3-CB 4.48Å; W126-K148 HydrophobicContact CE3-CD 3.77Å; W126-K148 HydrophobicContact CE3-CG 4.01Å; W126-K148 HydrophobicContact CH2-CD 3.7Å; W126-K148 HydrophobicContact CZ2-CD 4.21Å; W126-K148 HydrophobicContact CZ3-CD 3.46Å; W126-K148 VanDerWaalsContact CZ3-CD 3.46Å; W126-K148 HydrophobicContact CZ3-CG 4.13Å; W126-V150 HydrophobicContact CB-CG2 4.47Å; W126-V150 HydrophobicContact CE3-CG2 3.58Å; W126-V150 HydrophobicContact CZ3-CG2 4.25Å
127L95.1Very high88.7Confident8 Ų849.7 Ų49.74%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-128139.2-180-58.5172.6000109.2L91 I125 T131 L138 L147 K148 A149 V150L91-L127 HydrophobicContact CB-CD2 3.9Å; L91-L127 HydrophobicContact CD1-CD2 4.13Å; I125-L127 HydrophobicContact CG2-CD2 4.19Å; I125-L127 HydrophobicContact CG2-CG 4.46Å; L127-T131 WeakPolarHBondContact CA-OG1 3.19Å; L127-L138 HydrophobicContact CD1-CD1 4Å; L127-L138 HydrophobicContact CD2-CD1 3.61Å; L127-L138 HydrophobicContact CG-CD1 4.36Å; L127-L147 HydrophobicContact CD1-CB 4.43Å; L127-L147 HydrophobicContact CD1-CD1 4.34Å; L127-K148 PolarHBondContact N-O 3.25Å; L127-A149 CarbonylContact O-C 3.48Å; L127-A149 WeakPolarHBondContact O-CA 3.35Å; L127-V150 PolarHBondContact O-N 2.77Å
128D93.5Very high89.3Confident3 Ų347.6 Ų47.62%0.01625%0.246CC..  trans-100.8-178.9164.257.414.1000110.2C92 V93 A94 S130 T131 K132C92-D128 VanDerWaalsContact CA-OD2 3.23Å; C92-D128 WeakPolarHBondContact CA-OD2 3.47Å; C92-D128 HydrophobicContact CB-CB 4.11Å; C92-D128 WeakPolarHBondContact CB-OD2 3.41Å; C92-D128 PolarHBondContact SG-N 2.83Å; V93-D128 PolarHBondContact N-OD2 3.21Å; A94-D128 PolarHBondContact N-OD2 3.35Å; D128-S130 PolarHBondContact O-N 2.94Å; D128-S130 VanDerWaalsContact O-N 3.17Å; D128-S130 WeakPolarHBondContact OD1-CB 3.49Å; D128-S130 PolarHBondContact OD1-N 3.05Å; D128-T131 PolarHBondContact N-OG1 2.9Å; D128-T131 PolarHBondContact O-N 3.25Å; D128-T131 PolarHBondContact O-OG1 3.06Å; D128-T131 PolarHBondContact OD1-N 2.8Å; D128-T131 PolarHBondContact OD1-OG1 2.84Å; D128-K132 WeakPolarHBondContact O-CB 3.45Å; D128-K132 PolarHBondContact O-N 3.44Å
129E91.7Very high89.9Confident104 Ų10451.1 Ų51.149%0.48627%0.268SS..THydrogen-bonded Turntrans-58.8-29.8179.7-67.2-58.7137.800112.7T131 K132E129-T131 VanDerWaalsContact C-N 3.32Å; E129-T131 PolarHBondContact O-N 3.15Å; E129-K132 IonicContact OE1-NZ 3.13Å; E129-K132 PolarHBondContact OE1-NZ 3.34Å; E129-K132 WeakPolarHBondContact OE2-CD 3.46Å; E129-K132 IonicContact OE2-NZ 2.7Å; E129-K132 PolarHBondContact OE2-NZ 3.23Å
130S89.1Confident90.4Very high25 Ų2559 Ų5918%0.17530%0.295CS..THydrogen-bonded Turntrans-71.7-23.1178-54.50000114Y96 K97 S98 D128Y96-S130 WeakPolarHBondContact O-CB 2.88Å; Y96-S130 PolarHBondContact O-OG 3.13Å; K97-S130 WeakPolarHBondContact O-CA 3.32Å; K97-S130 WeakPolarHBondContact O-CB 3.32Å; K97-S130 PolarHBondContact O-OG 3.39Å; S98-S130 WeakPolarHBondContact CA-O 3.43Å; D128-S130 PolarHBondContact O-N 2.94Å; D128-S130 VanDerWaalsContact O-N 3.17Å; D128-S130 WeakPolarHBondContact OD1-CB 3.49Å; D128-S130 PolarHBondContact OD1-N 3.05Å
131T91.4Very high90.6Very high0 Ų055.9 Ų55.90%027%0.273CS..THydrogen-bonded Turntrans-118.3-9.6-176.751.50000114.2L91 V93 L99 L127 D128 E129 P133 L134L91-T131 WeakPolarHBondContact O-CG2 3.49Å; L91-T131 PolarHBondContact O-OG1 3.32Å; V93-T131 HydrophobicContact CG1-CG2 4.35Å; V93-T131 HydrophobicContact CG2-CG2 3.74Å; L99-T131 HydrophobicContact CB-CG2 3.96Å; L127-T131 WeakPolarHBondContact CA-OG1 3.19Å; D128-T131 PolarHBondContact N-OG1 2.9Å; D128-T131 PolarHBondContact O-N 3.25Å; D128-T131 PolarHBondContact O-OG1 3.06Å; D128-T131 PolarHBondContact OD1-N 2.8Å; D128-T131 PolarHBondContact OD1-OG1 2.84Å; E129-T131 VanDerWaalsContact C-N 3.32Å; E129-T131 PolarHBondContact O-N 3.15Å; T131-P133 VanDerWaalsContact C-N 3.27Å; T131-L134 HydrophobicContact CG2-CD1 4.37Å; T131-L134 VanDerWaalsContact O-CB 3.24Å; T131-L134 WeakPolarHBondContact O-CB 3.2Å; T131-L134 WeakPolarHBondContact O-CG 3.39Å; T131-L134 PolarHBondContact O-N 2.91Å
132K91.5Very high90.6Very high102 Ų10253.2 Ų53.244%0.44326%0.262SS..G310 helixtrans-48.6-37172.4-173-180-172.3174.50114.5D128 E129 L134 G135D128-K132 WeakPolarHBondContact O-CB 3.45Å; D128-K132 PolarHBondContact O-N 3.44Å; E129-K132 IonicContact OE1-NZ 3.13Å; E129-K132 PolarHBondContact OE1-NZ 3.34Å; E129-K132 WeakPolarHBondContact OE2-CD 3.46Å; E129-K132 IonicContact OE2-NZ 2.7Å; E129-K132 PolarHBondContact OE2-NZ 3.23Å; K132-L134 PolarHBondContact O-N 3.36Å; K132-L134 VanDerWaalsContact O-N 3.11Å; K132-G135 PolarHBondContact O-N 2.82Å
133P89.7Confident90.4Very high105 Ų10557.4 Ų57.468%0.68229%0.289SS*.G310 helixtrans-59.9-19.8175.2-26.136.8000114.8T131 G135 P136T131-P133 VanDerWaalsContact C-N 3.27Å; P133-G135 PolarHBondContact O-N 2.87Å; P133-P136 WeakPolarHBondContact O-CD 3.47Å
134L87.2Confident90.1Very high22 Ų2253 Ų5312%0.11529%0.286CS..G310 helixtrans-73.6-12.9175.8-58.1174.2000113.1L99 L106 T131 K132 A137 L138L99-L134 HydrophobicContact CB-CD1 4.35Å; L99-L134 HydrophobicContact CD2-CD1 3.61Å; L106-L134 HydrophobicContact CD2-CD2 4.31Å; T131-L134 HydrophobicContact CG2-CD1 4.37Å; T131-L134 VanDerWaalsContact O-CB 3.24Å; T131-L134 WeakPolarHBondContact O-CB 3.2Å; T131-L134 WeakPolarHBondContact O-CG 3.39Å; T131-L134 PolarHBondContact O-N 2.91Å; K132-L134 PolarHBondContact O-N 3.36Å; K132-L134 VanDerWaalsContact O-N 3.11Å; L134-A137 PolarHBondContact O-N 3.32Å; L134-L138 HydrophobicContact CB-CD1 3.71Å; L134-L138 HydrophobicContact CB-CG 4.11Å; L134-L138 WeakPolarHBondContact O-CG 3.39Å; L134-L138 PolarHBondContact O-N 3Å
135G90.4Very high90Very high9 Ų952.6 Ų52.69%0.09329%0.287CS..Hα-helixtrans-47.3-53.3-173.600000114.4K132 P133 A137 L138 T139K132-G135 PolarHBondContact O-N 2.82Å; P133-G135 PolarHBondContact O-N 2.87Å; G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.38Å; G135-L138 PolarHBondContact O-N 3.11Å; G135-L138 VanDerWaalsContact O-N 3.15Å; G135-T139 PolarHBondContact O-N 2.76Å; G135-T139 PolarHBondContact O-OG1 2.78Å
136P89.6Confident90Very high102 Ų10258.7 Ų58.766%0.66232%0.315SS*.Hα-helixtrans-58.1-40.7179.2-26.335.6000113.9P133 R140P133-P136 WeakPolarHBondContact O-CD 3.47Å; P136-R140 PolarHBondContact O-N 3.33Å
137A86.7Confident89.9Confident29 Ų2959.4 Ų59.424%0.2432%0.322CS..Hα-helixtrans-67.3-4617600000110.5L134 G135 T139 R140 Y141L134-A137 PolarHBondContact O-N 3.32Å; G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.38Å; A137-T139 PolarHBondContact O-N 3.31Å; A137-R140 WeakPolarHBondContact O-CB 3.4Å; A137-R140 PolarHBondContact O-N 3.32Å; A137-Y141 WeakPolarHBondContact O-CD2 3.26Å; A137-Y141 PolarHBondContact O-N 2.91Å; A137-Y141 VanDerWaalsContact O-N 3.13Å
138L88.7Confident89.9Confident3 Ų363.3 Ų63.32%0.01634%0.338CS..Hα-helixtrans-60.9-42-179.9-67.2166.7000112.2L91 F110 I125 L127 L134 G135 R140 Y141 F142 L147L91-L138 HydrophobicContact CD1-CD1 3.81Å; L91-L138 HydrophobicContact CD1-CD2 3.87Å; L91-L138 HydrophobicContact CD1-CG 4.49Å; F110-L138 HydrophobicContact CE1-CD2 4.22Å; F110-L138 HydrophobicContact CZ-CD2 4.36Å; I125-L138 HydrophobicContact CD1-CB 4.37Å; I125-L138 HydrophobicContact CD1-CD2 4.27Å; I125-L138 HydrophobicContact CG2-CD1 4.12Å; L127-L138 HydrophobicContact CD1-CD1 4Å; L127-L138 HydrophobicContact CD2-CD1 3.61Å; L127-L138 HydrophobicContact CG-CD1 4.36Å; L134-L138 HydrophobicContact CB-CD1 3.71Å; L134-L138 HydrophobicContact CB-CG 4.11Å; L134-L138 WeakPolarHBondContact O-CG 3.39Å; L134-L138 PolarHBondContact O-N 3Å; G135-L138 PolarHBondContact O-N 3.11Å; G135-L138 VanDerWaalsContact O-N 3.15Å; L138-R140 PolarHBondContact O-N 2.91Å; L138-Y141 PolarHBondContact O-N 2.91Å; L138-F142 HydrophobicContact CD2-CD2 4.27Å; L138-F142 HydrophobicContact CD2-CE2 4.29Å; L138-F142 WeakPolarHBondContact O-CA 3.46Å; L138-F142 WeakPolarHBondContact O-CB 3.34Å; L138-F142 PolarHBondContact O-N 3.03Å; L138-L147 HydrophobicContact CB-CD1 4.47Å; L138-L147 HydrophobicContact CB-CD2 4.06Å
139T89.9Confident89.9Confident75 Ų7566.4 Ų66.446%0.4636%0.364SS..Hα-helixtrans-59.6-35.6174.5-58.40000112.1G135 A137 P143 L147G135-T139 PolarHBondContact O-N 2.76Å; G135-T139 PolarHBondContact O-OG1 2.78Å; A137-T139 PolarHBondContact O-N 3.31Å; T139-P143 WeakPolarHBondContact O-CA 3.37Å; T139-L147 WeakPolarHBondContact OG1-CD1 3.26Å
140R87Confident89.8Confident199 Ų19963.8 Ų63.875%0.75136%0.355SS*.Hα-helixtrans-68.5-41177.7-176.6-177.8177.7-177.20.3112.4P136 A137 L138P136-R140 PolarHBondContact O-N 3.33Å; A137-R140 WeakPolarHBondContact O-CB 3.4Å; A137-R140 PolarHBondContact O-N 3.32Å; L138-R140 PolarHBondContact O-N 2.91Å
141Y83.5Confident89.2Confident79 Ų7966.5 Ų66.531%0.3137%0.374SS..Hα-helixtrans-89.1-26.3-175.8-72.5-80.2000113.7F110 A137 L138 P143F110-Y141 HydrophobicContact CB-CD1 3.83Å; F110-Y141 HydrophobicContact CB-CE1 3.92Å; F110-Y141 HydrophobicContact CB-CG 4.32Å; F110-Y141 AromaticContact CD1-CD1 3.86Å; F110-Y141 HydrophobicContact CD1-CD1 3.86Å; F110-Y141 AromaticContact CD1-CD2 3.86Å; F110-Y141 HydrophobicContact CD1-CD2 3.86Å; F110-Y141 AromaticContact CD1-CG 3.47Å; F110-Y141 HydrophobicContact CD1-CG 3.47Å; F110-Y141 VanDerWaalsContact CD1-CG 3.47Å; F110-Y141 AromaticContact CD2-CD1 3.82Å; F110-Y141 HydrophobicContact CD2-CD1 3.82Å; F110-Y141 AromaticContact CD2-CD2 3.43Å; F110-Y141 HydrophobicContact CD2-CD2 3.43Å; F110-Y141 VanDerWaalsContact CD2-CD2 3.43Å; F110-Y141 AromaticContact CD2-CE1 3.69Å; F110-Y141 HydrophobicContact CD2-CE1 3.69Å; F110-Y141 AromaticContact CD2-CE2 3.33Å; F110-Y141 HydrophobicContact CD2-CE2 3.33Å; F110-Y141 AromaticContact CD2-CG 3.69Å; F110-Y141 HydrophobicContact CD2-CG 3.69Å; F110-Y141 AromaticContact CD2-CZ 3.44Å; F110-Y141 VanDerWaalsContact CD2-CZ 3.44Å; F110-Y141 VanDerWaalsContact CE1-CB 3.45Å; F110-Y141 HydrophobicContact CE1-CD1 4.4Å; F110-Y141 AromaticContact CE1-CD2 3.59Å; F110-Y141 HydrophobicContact CE1-CD2 3.59Å; F110-Y141 HydrophobicContact CE1-CE2 4.44Å; F110-Y141 AromaticContact CE1-CG 3.57Å; F110-Y141 HydrophobicContact CE1-CG 3.57Å; F110-Y141 HydrophobicContact CE2-CD1 4.38Å; F110-Y141 AromaticContact CE2-CD2 3.14Å; F110-Y141 HydrophobicContact CE2-CD2 3.14Å; F110-Y141 HydrophobicContact CE2-CE1 4.38Å; F110-Y141 AromaticContact CE2-CE2 3.18Å; F110-Y141 HydrophobicContact CE2-CE2 3.18Å; F110-Y141 AromaticContact CE2-CG 3.8Å; F110-Y141 HydrophobicContact CE2-CG 3.8Å; F110-Y141 AromaticContact CE2-CZ 3.83Å; F110-Y141 AromaticContact CG-CD1 3.56Å; F110-Y141 HydrophobicContact CG-CD1 3.56Å; F110-Y141 AromaticContact CG-CD2 3.82Å; F110-Y141 HydrophobicContact CG-CD2 3.82Å; F110-Y141 AromaticContact CG-CE1 3.81Å; F110-Y141 HydrophobicContact CG-CE1 3.81Å; F110-Y141 HydrophobicContact CG-CE2 4.09Å; F110-Y141 AromaticContact CG-CG 3.56Å; F110-Y141 HydrophobicContact CG-CG 3.56Å; F110-Y141 AromaticContact CZ-CD2 3.24Å; F110-Y141 HydrophobicContact CZ-CD2 3.24Å; F110-Y141 AromaticContact CZ-CE2 3.81Å; F110-Y141 HydrophobicContact CZ-CE2 3.81Å; F110-Y141 AromaticContact CZ-CG 3.75Å; F110-Y141 HydrophobicContact CZ-CG 3.75Å; A137-Y141 WeakPolarHBondContact O-CD2 3.26Å; A137-Y141 PolarHBondContact O-N 2.91Å; A137-Y141 VanDerWaalsContact O-N 3.13Å; L138-Y141 PolarHBondContact O-N 2.91Å; Y141-P143 VanDerWaalsContact C-CD 3.42Å; Y141-P143 WeakPolarHBondContact O-CD 3.23Å
142F87.4Confident87.9Confident1 Ų170.3 Ų70.30%0.00440%0.397CS..  trans-123.765.6177.8-62.4-87.4000110.2F110 F113 L119 V122 I125 L138 S144 A145F110-F142 HydrophobicContact CD1-CE2 4.07Å; F110-F142 HydrophobicContact CE1-CD2 4.3Å; F110-F142 AromaticContact CE1-CE2 3.81Å; F110-F142 HydrophobicContact CE1-CE2 3.81Å; F113-F142 HydrophobicContact CB-CZ 4.07Å; F113-F142 HydrophobicContact CD1-CE1 4.48Å; F113-F142 AromaticContact CD1-CZ 3.88Å; F113-F142 HydrophobicContact CD1-CZ 3.88Å; F113-F142 AromaticContact CD2-CE2 3.95Å; F113-F142 HydrophobicContact CD2-CE2 3.95Å; F113-F142 AromaticContact CD2-CZ 3.5Å; F113-F142 HydrophobicContact CD2-CZ 3.5Å; F113-F142 VanDerWaalsContact CD2-CZ 3.5Å; F113-F142 HydrophobicContact CE1-CZ 4.12Å; F113-F142 HydrophobicContact CE2-CE2 4.01Å; F113-F142 AromaticContact CE2-CZ 3.75Å; F113-F142 HydrophobicContact CE2-CZ 3.75Å; F113-F142 HydrophobicContact CG-CE1 4.39Å; F113-F142 HydrophobicContact CG-CE2 4.47Å; F113-F142 AromaticContact CG-CZ 3.59Å; F113-F142 HydrophobicContact CG-CZ 3.59Å; F113-F142 HydrophobicContact CZ-CZ 4.1Å; L119-F142 HydrophobicContact CD2-CD1 4.15Å; L119-F142 HydrophobicContact CD2-CE1 3.71Å; L119-F142 HydrophobicContact CD2-CE2 4.23Å; L119-F142 HydrophobicContact CD2-CZ 3.76Å; L119-F142 WeakPolarHBondContact O-CD1 3.49Å; V122-F142 HydrophobicContact CB-CD1 3.89Å; V122-F142 HydrophobicContact CB-CE1 3.92Å; V122-F142 HydrophobicContact CG1-CD1 4.36Å; V122-F142 HydrophobicContact CG1-CE1 4.47Å; V122-F142 HydrophobicContact CG2-CD1 4.39Å; V122-F142 HydrophobicContact CG2-CE1 3.9Å; I125-F142 HydrophobicContact CD1-CB 3.89Å; I125-F142 HydrophobicContact CD1-CD1 4.46Å; I125-F142 HydrophobicContact CD1-CD2 3.69Å; I125-F142 HydrophobicContact CD1-CE2 4.26Å; I125-F142 HydrophobicContact CD1-CG 3.79Å; L138-F142 HydrophobicContact CD2-CD2 4.27Å; L138-F142 HydrophobicContact CD2-CE2 4.29Å; L138-F142 WeakPolarHBondContact O-CA 3.46Å; L138-F142 WeakPolarHBondContact O-CB 3.34Å; L138-F142 PolarHBondContact O-N 3.03Å; F142-S144 PolarHBondContact O-N 3.44Å; F142-A145 HydrophobicContact CB-CB 3.71Å; F142-A145 PolarHBondContact O-N 3.49Å
143P85.2Confident85.8Confident94 Ų9474.2 Ų74.261%0.6141%0.414SS*.THydrogen-bonded Turntrans-62.9-20.4-17326.1-36000113.9T139 Y141T139-P143 WeakPolarHBondContact O-CA 3.37Å; Y141-P143 VanDerWaalsContact C-CD 3.42Å; Y141-P143 WeakPolarHBondContact O-CD 3.23Å
144S87.9Confident83.3Confident92 Ų9278.3 Ų78.364%0.64345%0.446SS*.THydrogen-bonded Turntrans-95.3-2177.5-52.70000114F142F142-S144 PolarHBondContact O-N 3.44Å
145A92Very high83.1Confident16 Ų1681.2 Ų81.213%0.13246%0.462CS..PPolyproline II helixtrans-91.4135.2-179.700000111.3V122 R123 I125 F142V122-A145 HydrophobicContact CG1-CB 4.29Å; R123-A145 WeakPolarHBondContact O-CA 3.25Å; I125-A145 HydrophobicContact CD1-CB 3.98Å; I125-A145 HydrophobicContact CG1-CB 4.02Å; F142-A145 HydrophobicContact CB-CB 3.71Å; F142-A145 PolarHBondContact O-N 3.49Å
146E95.2Very high82.7Confident127 Ų12784.9 Ų84.959%0.59348%0.482SS*.EExtended strand (participates in β ladder)trans-73.9135.2166.3-175.3-173.2156.500109.7R123 L124 I125R123-E146 PolarHBondContact O-N 3.19Å; L124-E146 CarbonylContact C-O 3.58Å; L124-E146 WeakPolarHBondContact CA-O 3.48Å; L124-E146 HydrophobicContact CD1-CB 3.88Å; L124-E146 HydrophobicContact CD1-CG 4.05Å; I125-E146 PolarHBondContact N-O 2.78Å
147L95.2Very high82.4Confident53 Ų5384 Ų8428%0.27747%0.472SS..EExtended strand (participates in β ladder)trans-96.4119.7171.6-56.7-171.6000109.6I125 L127 L138 T139I125-L147 HydrophobicContact CB-CD2 3.75Å; I125-L147 HydrophobicContact CD1-CD2 4.01Å; I125-L147 HydrophobicContact CG1-CD2 4.25Å; I125-L147 HydrophobicContact CG2-CD2 4.39Å; L127-L147 HydrophobicContact CD1-CB 4.43Å; L127-L147 HydrophobicContact CD1-CD1 4.34Å; L138-L147 HydrophobicContact CB-CD1 4.47Å; L138-L147 HydrophobicContact CB-CD2 4.06Å; T139-L147 WeakPolarHBondContact OG1-CD1 3.26Å
148K96Very high82.1Confident89 Ų8987.2 Ų87.239%0.38749%0.485SS..EExtended strand (participates in β ladder)trans-112.3113.4-179.6-178.7165.2-178.4174.50111.3L124 I125 W126 L127L124-K148 HydrophobicContact CD1-CB 3.74Å; L124-K148 HydrophobicContact CD1-CD 4.35Å; I125-K148 PolarHBondContact O-N 3.1Å; W126-K148 WeakPolarHBondContact CA-O 3.42Å; W126-K148 HydrophobicContact CD2-CD 4.34Å; W126-K148 HydrophobicContact CE3-CB 4.48Å; W126-K148 HydrophobicContact CE3-CD 3.77Å; W126-K148 HydrophobicContact CE3-CG 4.01Å; W126-K148 HydrophobicContact CH2-CD 3.7Å; W126-K148 HydrophobicContact CZ2-CD 4.21Å; W126-K148 HydrophobicContact CZ3-CD 3.46Å; W126-K148 VanDerWaalsContact CZ3-CD 3.46Å; W126-K148 HydrophobicContact CZ3-CG 4.13Å; L127-K148 PolarHBondContact N-O 3.25Å
149A91.9Very high81.7Confident68 Ų6892.5 Ų92.556%0.56252%0.515SS*.EExtended strand (participates in β ladder)trans-75.2130.7171.700000110.7L127L127-A149 CarbonylContact O-C 3.48Å; L127-A149 WeakPolarHBondContact O-CA 3.35Å
150V89.7Confident81.2Confident50 Ų5093.7 Ų93.730%0.30352%0.518SS..  trans-103.1114.3170.5-1760000107.2W126 L127 T152W126-V150 HydrophobicContact CB-CG2 4.47Å; W126-V150 HydrophobicContact CE3-CG2 3.58Å; W126-V150 HydrophobicContact CZ3-CG2 4.25Å; L127-V150 PolarHBondContact O-N 2.77Å; V150-T152 PolarHBondContact O-N 3.26Å
151S77Confident80.7Confident82 Ų8286.1 Ų86.157%0.57350%0.502SS*.  trans-72.7113.2168.4-175.40000107.9K153S151-K153 PolarHBondContact O-N 3.16Å
152T63.1Low80.5Confident79 Ų7986.7 Ų86.749%0.48552%0.516SS..  trans-7175.9161.250.50000107.3A94 V150 S154A94-T152 HydrophobicContact CB-CG2 4.02Å; V150-T152 PolarHBondContact O-N 3.26Å; T152-S154 PolarHBondContact O-N 2.87Å
153K48.2Very low80Confident184 Ų18493.8 Ų93.880%0.856%0.559SS**  trans-66.6118.4162.7-74.7-169.9176.9-177.70106.5S151S151-K153 PolarHBondContact O-N 3.16Å
154S38Very low79.5Confident192 Ų19293.8 Ų93.8100%1.34355%0.554SS**  trans-500172-57.90000112.4T152T152-S154 PolarHBondContact O-N 2.87Å

Retrieved 154 of 154 residues in 33.7 ms (Link to these results)

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