A0A087X6D6_POEFO Loading...

GPI-anchor transamidase

AlphaFold DB , UniProt , Accession A0A087X6D6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 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
1M59.4Low68.4Low206 Ų206130.8 Ų130.8100%1.01567%0.672SS**  0-51.40-87.117270.900113.6L3 L4 T5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.96Å; M1-L4 PolarHBondContact O-N 3Å; M1-T5 PolarHBondContact O-N 3Å; M1-T5 PolarHBondContact O-OG1 3.34Å
2K64.2Low68.1Low182 Ų182126.3 Ų126.379%0.79166%0.655SS**Hα-helixtrans-59.9-32.6-176.4-71.8-175.6175.7-177.60116T5 L6K2-T5 VanDerWaalsContact C-OG1 3.3Å; K2-T5 WeakPolarHBondContact CA-OG1 3.33Å; K2-T5 PolarHBondContact O-OG1 3.28Å; K2-L6 PolarHBondContact O-N 3.22Å
3L69.3Low68.2Low140 Ų140127.5 Ų127.573%0.73365%0.647SS**Hα-helixtrans-74.7-39.4-179.2-160.774.9000112.6M1 T5 L6 L7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.96Å; L3-T5 VanDerWaalsContact C-N 3.35Å; L3-L6 PolarHBondContact O-N 3.18Å; L3-L7 PolarHBondContact O-N 3.37Å
4L67.4Low67.8Low140 Ų140124.1 Ų124.173%0.73363%0.631SS**Hα-helixtrans-66.7-36.1176.3-95.398.2000112.1M1 L7 S8M1-L4 PolarHBondContact O-N 3Å; L4-L7 PolarHBondContact O-N 3.5Å; L4-S8 WeakPolarHBondContact O-CB 3.43Å; L4-S8 PolarHBondContact O-N 3.39Å
5T68.7Low67.6Low81 Ų81120.9 Ų120.950%0.49762%0.62SS.*Hα-helixtrans-67.6-38.2176.143.20000112M1 K2 L3 S8 L9M1-T5 PolarHBondContact O-N 3Å; M1-T5 PolarHBondContact O-OG1 3.34Å; K2-T5 VanDerWaalsContact C-OG1 3.3Å; K2-T5 WeakPolarHBondContact CA-OG1 3.33Å; K2-T5 PolarHBondContact O-OG1 3.28Å; L3-T5 VanDerWaalsContact C-N 3.35Å; T5-S8 PolarHBondContact O-N 2.88Å; T5-L9 WeakPolarHBondContact O-CB 3.38Å; T5-L9 PolarHBondContact O-N 3.36Å
6L71.1Confident67.2Low119 Ų119117.9 Ų117.962%0.62361%0.609SS**Hα-helixtrans-67.6-41.3175.5-106.5142.4000112K2 L3 S8 L9 F10K2-L6 PolarHBondContact O-N 3.22Å; L3-L6 PolarHBondContact O-N 3.18Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-L9 PolarHBondContact O-N 3.33Å; L6-F10 WeakPolarHBondContact O-CB 3.37Å; L6-F10 PolarHBondContact O-N 2.98Å
7L72.5Confident67.1Low132 Ų132114.3 Ų114.369%0.69159%0.591SS**Hα-helixtrans-65-39.9176.3-146.692.6000111.6L3 L4 F10 L11L3-L7 PolarHBondContact O-N 3.37Å; L4-L7 PolarHBondContact O-N 3.5Å; L7-F10 PolarHBondContact O-N 3.31Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 PolarHBondContact O-N 3.44Å
8S68.3Low66.5Low70 Ų70112.2 Ų112.249%0.4959%0.587SS.*Hα-helixtrans-63.7-43.3175.2-179.60000111.9L4 T5 L6 L11 T12L4-S8 WeakPolarHBondContact O-CB 3.43Å; L4-S8 PolarHBondContact O-N 3.39Å; T5-S8 PolarHBondContact O-N 2.88Å; L6-S8 VanDerWaalsContact C-N 3.34Å; S8-L11 PolarHBondContact O-N 3.46Å; S8-T12 WeakPolarHBondContact O-CG2 3.48Å; S8-T12 PolarHBondContact O-N 3.47Å; S8-T12 PolarHBondContact O-OG1 3.49Å; S8-T12 VanDerWaalsContact O-OG1 3.05Å
9L69.9Low66.4Low120 Ų120110.8 Ų110.863%0.62858%0.579SS**Hα-helixtrans-65-40.2177.6-97.7143.5000112T5 L6 T12 Y13T5-L9 WeakPolarHBondContact O-CB 3.38Å; T5-L9 PolarHBondContact O-N 3.36Å; L6-L9 PolarHBondContact O-N 3.33Å; L9-T12 VanDerWaalsContact CA-OG1 3.31Å; L9-T12 WeakPolarHBondContact CA-OG1 3.47Å; L9-T12 PolarHBondContact O-N 3.12Å; L9-T12 PolarHBondContact O-OG1 2.93Å; L9-Y13 WeakPolarHBondContact O-CB 3.49Å; L9-Y13 PolarHBondContact O-N 3.36Å
10F72.6Confident66.4Low135 Ų135109.9 Ų109.959%0.59258%0.575SS**Hα-helixtrans-68.1-40.7176.8-166-104.8000112L6 L7 Y13 L14L6-F10 WeakPolarHBondContact O-CB 3.37Å; L6-F10 PolarHBondContact O-N 2.98Å; L7-F10 PolarHBondContact O-N 3.31Å; F10-Y13 PolarHBondContact O-N 2.98Å; F10-L14 HydrophobicContact CD1-CD1 3.66Å; F10-L14 HydrophobicContact CD1-CG 4.43Å; F10-L14 HydrophobicContact CE1-CD1 3.48Å; F10-L14 VanDerWaalsContact CE1-CD1 3.48Å; F10-L14 HydrophobicContact CE1-CG 4.23Å; F10-L14 HydrophobicContact CZ-CD1 4.28Å; F10-L14 WeakPolarHBondContact O-CG 3.23Å; F10-L14 PolarHBondContact O-N 3.01Å
11L68.6Low66.2Low114 Ų114110.2 Ų110.260%0.59758%0.576SS**Hα-helixtrans-66.9-39.2176.1-16372.7000111.6L7 S8 Y13 V15L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 PolarHBondContact O-N 3.44Å; S8-L11 PolarHBondContact O-N 3.46Å; L11-Y13 VanDerWaalsContact C-N 3.33Å; L11-V15 VanDerWaalsContact O-CG2 3.23Å; L11-V15 WeakPolarHBondContact O-CG2 3.16Å; L11-V15 PolarHBondContact O-N 3.25Å
12T65.5Low66.1Low76 Ų76107.3 Ų107.347%0.46656%0.56SS.*Hα-helixtrans-65.7-37.217448.90000112.2S8 L9 V15 T16S8-T12 WeakPolarHBondContact O-CG2 3.48Å; S8-T12 PolarHBondContact O-N 3.47Å; S8-T12 PolarHBondContact O-OG1 3.49Å; S8-T12 VanDerWaalsContact O-OG1 3.05Å; L9-T12 VanDerWaalsContact CA-OG1 3.31Å; L9-T12 WeakPolarHBondContact CA-OG1 3.47Å; L9-T12 PolarHBondContact O-N 3.12Å; L9-T12 PolarHBondContact O-OG1 2.93Å; T12-V15 PolarHBondContact O-N 3.02Å; T12-T16 PolarHBondContact O-N 2.96Å; T12-T16 PolarHBondContact O-OG1 3.48Å
13Y68.9Low65.6Low142 Ų142103.2 Ų103.256%0.55755%0.547SS*.Hα-helixtrans-65.7-46.2177.5-171.8-102.6000111.7L9 F10 L11 V15 T16 D17L9-Y13 WeakPolarHBondContact O-CB 3.49Å; L9-Y13 PolarHBondContact O-N 3.36Å; F10-Y13 PolarHBondContact O-N 2.98Å; L11-Y13 VanDerWaalsContact C-N 3.33Å; Y13-V15 VanDerWaalsContact C-N 3.34Å; Y13-V15 PolarHBondContact O-N 2.99Å; Y13-T16 WeakPolarHBondContact CA-OG1 3.48Å; Y13-T16 PolarHBondContact O-N 3.27Å; Y13-T16 PolarHBondContact O-OG1 3.05Å; Y13-D17 WeakPolarHBondContact CE1-OD2 3.34Å; Y13-D17 PolarHBondContact O-N 3.41Å
14L63.4Low65Low80 Ų80100.6 Ų100.642%0.41954%0.537SS..Hα-helixtrans-60.6-40.3174.6-78166.4000112.7F10 D17 C18F10-L14 HydrophobicContact CD1-CD1 3.66Å; F10-L14 HydrophobicContact CD1-CG 4.43Å; F10-L14 HydrophobicContact CE1-CD1 3.48Å; F10-L14 VanDerWaalsContact CE1-CD1 3.48Å; F10-L14 HydrophobicContact CE1-CG 4.23Å; F10-L14 HydrophobicContact CZ-CD1 4.28Å; F10-L14 WeakPolarHBondContact O-CG 3.23Å; F10-L14 PolarHBondContact O-N 3.01Å; L14-D17 PolarHBondContact O-N 2.81Å; L14-C18 WeakPolarHBondContact O-CB 3.31Å; L14-C18 PolarHBondContact O-N 3.03Å; L14-C18 PolarHBondContact O-SG 3.48Å; L14-C18 VanDerWaalsContact O-SG 3.35Å
15V64.2Low64.4Low77 Ų7795.6 Ų95.647%0.46752%0.515SS..Hα-helixtrans-67.9-40.7177.4171.90000111.1L11 T12 Y13 C18 I19L11-V15 VanDerWaalsContact O-CG2 3.23Å; L11-V15 WeakPolarHBondContact O-CG2 3.16Å; L11-V15 PolarHBondContact O-N 3.25Å; T12-V15 PolarHBondContact O-N 3.02Å; Y13-V15 VanDerWaalsContact C-N 3.34Å; Y13-V15 PolarHBondContact O-N 2.99Å; V15-C18 PolarHBondContact O-N 3.31Å; V15-I19 HydrophobicContact CG1-CD1 3.78Å; V15-I19 WeakPolarHBondContact O-CD1 3.1Å; V15-I19 VanDerWaalsContact O-CG1 3.23Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 2.98Å
16T61.8Low63.6Low73 Ų7393.6 Ų93.645%0.44851%0.511SS..Hα-helixtrans-66.5-37.1175.543.90000112.9T12 Y13 N20T12-T16 PolarHBondContact O-N 2.96Å; T12-T16 PolarHBondContact O-OG1 3.48Å; Y13-T16 WeakPolarHBondContact CA-OG1 3.48Å; Y13-T16 PolarHBondContact O-N 3.27Å; Y13-T16 PolarHBondContact O-OG1 3.05Å; T16-N20 WeakPolarHBondContact O-CB 3.39Å; T16-N20 PolarHBondContact O-N 3.35Å; T16-N20 PolarHBondContact O-ND2 2.99Å
17D64.3Low62.7Low56 Ų5694.5 Ų94.530%0.29951%0.512SS..Hα-helixtrans-68.4-41.7176.2-78.3-16.1000111.7Y13 L14 I19 N20 I21Y13-D17 WeakPolarHBondContact CE1-OD2 3.34Å; Y13-D17 PolarHBondContact O-N 3.41Å; L14-D17 PolarHBondContact O-N 2.81Å; D17-I19 PolarHBondContact O-N 3.43Å; D17-N20 PolarHBondContact O-N 2.98Å; D17-I21 VanDerWaalsContact O-CG1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.3Å; D17-I21 PolarHBondContact O-N 2.94Å
18C57.2Low61.6Low77 Ų7794.2 Ų94.252%0.5251%0.505SS..Hα-helixtrans-61.8-42.7174.6-74.90000112.6L14 V15 N20 I21 E22L14-C18 WeakPolarHBondContact O-CB 3.31Å; L14-C18 PolarHBondContact O-N 3.03Å; L14-C18 PolarHBondContact O-SG 3.48Å; L14-C18 VanDerWaalsContact O-SG 3.35Å; V15-C18 PolarHBondContact O-N 3.31Å; C18-N20 VanDerWaalsContact C-N 3.32Å; C18-N20 PolarHBondContact O-N 3Å; C18-I21 PolarHBondContact O-N 2.8Å; C18-E22 PolarHBondContact O-N 3.38Å
19I65.3Low60.7Low85 Ų8597.3 Ų97.344%0.43651%0.51SS..Hα-helixtrans-65.3-37.3176.9-67.5165.4000110.8V15 D17 N23V15-I19 HydrophobicContact CG1-CD1 3.78Å; V15-I19 WeakPolarHBondContact O-CD1 3.1Å; V15-I19 VanDerWaalsContact O-CG1 3.23Å; V15-I19 WeakPolarHBondContact O-CG1 3.37Å; V15-I19 PolarHBondContact O-N 2.98Å; D17-I19 PolarHBondContact O-N 3.43Å; I19-N23 WeakPolarHBondContact O-CB 3.48Å; I19-N23 VanDerWaalsContact O-CG 3.23Å; I19-N23 PolarHBondContact O-N 2.92Å; I19-N23 PolarHBondContact O-ND2 3.47Å
20N64.6Low59.7Low93 Ų9395.8 Ų95.850%0.49751%0.51SS..Hα-helixtrans-65.4-44.1173.7-85.7-27.8000111.7T16 D17 C18 E22 N23 T24T16-N20 WeakPolarHBondContact O-CB 3.39Å; T16-N20 PolarHBondContact O-N 3.35Å; T16-N20 PolarHBondContact O-ND2 2.99Å; D17-N20 PolarHBondContact O-N 2.98Å; C18-N20 VanDerWaalsContact C-N 3.32Å; C18-N20 PolarHBondContact O-N 3Å; N20-E22 PolarHBondContact O-N 2.98Å; N20-N23 PolarHBondContact O-N 3.05Å; N20-T24 WeakPolarHBondContact O-CB 3.23Å; N20-T24 PolarHBondContact O-N 3.48Å; N20-T24 PolarHBondContact O-OG1 3.49Å
21I62.5Low58.6Low117 Ų11791.7 Ų91.760%0.650%0.498SS*.Hα-helixtrans-62.8-42.4177.7-67.3164.3000111.3D17 C18 T24 A25D17-I21 VanDerWaalsContact O-CG1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.3Å; D17-I21 PolarHBondContact O-N 2.94Å; C18-I21 PolarHBondContact O-N 2.8Å; I21-T24 PolarHBondContact O-N 3.29Å; I21-A25 WeakPolarHBondContact O-CB 3.45Å; I21-A25 PolarHBondContact O-N 3.25Å
22E58.2Low58.8Low145 Ų14589.1 Ų89.168%0.67850%0.499SS*.Hα-helixtrans-65.2-37.9175.1-81.1-173.3163.200112.7C18 N20 G26C18-E22 PolarHBondContact O-N 3.38Å; N20-E22 PolarHBondContact O-N 2.98Å; E22-G26 WeakPolarHBondContact O-CA 3.43Å; E22-G26 PolarHBondContact O-N 2.92Å
23N53.7Low59.7Low95 Ų9586.2 Ų86.251%0.50848%0.48SS..Hα-helixtrans-72.1-37.9176.1-74.4-34.2000112.2I19 N20 G26 Q27I19-N23 WeakPolarHBondContact O-CB 3.48Å; I19-N23 VanDerWaalsContact O-CG 3.23Å; I19-N23 PolarHBondContact O-N 2.92Å; I19-N23 PolarHBondContact O-ND2 3.47Å; N20-N23 PolarHBondContact O-N 3.05Å; N23-G26 CarbonylContact O-C 3.59Å; N23-G26 PolarHBondContact O-N 2.78Å; N23-Q27 WeakPolarHBondContact O-CB 3.42Å; N23-Q27 PolarHBondContact O-N 2.96Å
24T57.3Low60.6Low86 Ų8682.6 Ų82.653%0.52847%0.473SS..Hα-helixtrans-69.2-40.2174.7-56.50000110.5N20 I21 Q27 F28N20-T24 WeakPolarHBondContact O-CB 3.23Å; N20-T24 PolarHBondContact O-N 3.48Å; N20-T24 PolarHBondContact O-OG1 3.49Å; I21-T24 PolarHBondContact O-N 3.29Å; T24-Q27 PolarHBondContact O-N 2.9Å; T24-F28 WeakPolarHBondContact O-CB 3.42Å; T24-F28 PolarHBondContact O-N 2.98Å
25A54.4Low62Low34 Ų3480.1 Ų80.128%0.28146%0.46SS..Hα-helixtrans-64.9-43.7170.800000110.8I21 Q27 F28 F29I21-A25 WeakPolarHBondContact O-CB 3.45Å; I21-A25 PolarHBondContact O-N 3.25Å; A25-Q27 VanDerWaalsContact C-N 3.32Å; A25-Q27 PolarHBondContact O-N 3.48Å; A25-F28 CarbonylContact O-C 3.17Å; A25-F28 WeakPolarHBondContact O-CA 3.38Å; A25-F28 WeakPolarHBondContact O-CB 3.44Å; A25-F28 PolarHBondContact O-N 3Å; A25-F28 VanDerWaalsContact O-N 3.1Å; A25-F29 HydrophobicContact CB-CD2 4.21Å; A25-F29 HydrophobicContact CB-CE2 4.05Å; A25-F29 WeakPolarHBondContact O-CB 3.41Å; A25-F29 WeakPolarHBondContact O-CD2 3.43Å; A25-F29 WeakPolarHBondContact O-CG 3.43Å; A25-F29 PolarHBondContact O-N 3.5Å
26G52Low63.6Low39 Ų3976.7 Ų76.740%0.40244%0.439SS..Hα-helixtrans-60.7-37.9174.700000112.8E22 N23 F29 S30E22-G26 WeakPolarHBondContact O-CA 3.43Å; E22-G26 PolarHBondContact O-N 2.92Å; N23-G26 CarbonylContact O-C 3.59Å; N23-G26 PolarHBondContact O-N 2.78Å; G26-F29 CarbonylContact O-C 3.45Å; G26-S30 WeakPolarHBondContact O-CA 3.2Å; G26-S30 WeakPolarHBondContact O-CB 3.23Å; G26-S30 PolarHBondContact O-N 3.29Å; G26-S30 PolarHBondContact O-OG 3.2Å
27Q51.6Low65.3Low139 Ų13973.6 Ų73.665%0.6542%0.419SS*.Hα-helixtrans-72.9-35.4170.3-84.2-176.6-29.200112.8N23 T24 A25 F29 S30 S31N23-Q27 WeakPolarHBondContact O-CB 3.42Å; N23-Q27 PolarHBondContact O-N 2.96Å; T24-Q27 PolarHBondContact O-N 2.9Å; A25-Q27 VanDerWaalsContact C-N 3.32Å; A25-Q27 PolarHBondContact O-N 3.48Å; Q27-F29 VanDerWaalsContact C-N 3.27Å; Q27-F29 PolarHBondContact O-N 3.14Å; Q27-S30 WeakPolarHBondContact CA-OG 2.9Å; Q27-S30 PolarHBondContact O-N 2.97Å; Q27-S30 PolarHBondContact O-OG 3.26Å; Q27-S30 VanDerWaalsContact O-OG 3.12Å; Q27-S31 PolarHBondContact O-N 3.06Å
28F49.6Very low66.9Low126 Ų12670.9 Ų70.955%0.55341%0.405SS*.Hα-helixtrans-64.6-35.1175-172.5-91.6000111.3T24 A25 S31 K300T24-F28 WeakPolarHBondContact O-CB 3.42Å; T24-F28 PolarHBondContact O-N 2.98Å; A25-F28 CarbonylContact O-C 3.17Å; A25-F28 WeakPolarHBondContact O-CA 3.38Å; A25-F28 WeakPolarHBondContact O-CB 3.44Å; A25-F28 PolarHBondContact O-N 3Å; A25-F28 VanDerWaalsContact O-N 3.1Å; F28-S31 PolarHBondContact O-OG 2.91Å; F28-K300 PolarHBondContact O-NZ 2.89Å
29F48.8Very low68.9Low134 Ų13467.2 Ų67.259%0.58838%0.38SS*.Hα-helixtrans-93.3-12.5176.8-63.9-56.5000114A25 G26 Q27 S31A25-F29 HydrophobicContact CB-CD2 4.21Å; A25-F29 HydrophobicContact CB-CE2 4.05Å; A25-F29 WeakPolarHBondContact O-CB 3.41Å; A25-F29 WeakPolarHBondContact O-CD2 3.43Å; A25-F29 WeakPolarHBondContact O-CG 3.43Å; A25-F29 PolarHBondContact O-N 3.5Å; G26-F29 CarbonylContact O-C 3.45Å; Q27-F29 VanDerWaalsContact C-N 3.27Å; Q27-F29 PolarHBondContact O-N 3.14Å; F29-S31 VanDerWaalsContact C-N 3.34Å
30S48.5Very low70.5Confident88 Ų8863.2 Ų63.262%0.61536%0.359SS*.Hα-helixtrans-82.3-14.7172.673.70000112.8G26 Q27 G32G26-S30 WeakPolarHBondContact O-CA 3.2Å; G26-S30 WeakPolarHBondContact O-CB 3.23Å; G26-S30 PolarHBondContact O-N 3.29Å; G26-S30 PolarHBondContact O-OG 3.2Å; Q27-S30 WeakPolarHBondContact CA-OG 2.9Å; Q27-S30 PolarHBondContact O-N 2.97Å; Q27-S30 PolarHBondContact O-OG 3.26Å; Q27-S30 VanDerWaalsContact O-OG 3.12Å; S30-G32 PolarHBondContact O-N 3.05Å
31S49.8Very low72.1Confident49 Ų4958.8 Ų58.834%0.34334%0.335SS..SBendtrans-85.885178.473.40000111.6Q27 F28 F29 K300Q27-S31 PolarHBondContact O-N 3.06Å; F28-S31 PolarHBondContact O-OG 2.91Å; F29-S31 VanDerWaalsContact C-N 3.34Å; S31-K300 WeakPolarHBondContact OG-CE 3.44Å; S31-K300 PolarHBondContact OG-NZ 3.24Å
32G72.6Confident73.8Confident60 Ų6053.2 Ų53.262%0.61931%0.307SS*.  trans49.5-164.4158.600000117.6S30S30-G32 PolarHBondContact O-N 3.05Å
33H84.3Confident75.7Confident15 Ų1546.3 Ų46.37%0.06928%0.275CS..  trans-68157.2172.459-70.3000111.5N36 R145 N147 D293 V298H33-N36 PolarHBondContact CD2-OD1 2.82Å; H33-N36 PolarHBondContact NE2-OD1 2.6Å; H33-R145 CarbonylContact C-O 3.52Å; H33-R145 WeakPolarHBondContact CA-O 3.19Å; H33-R145 WeakPolarHBondContact CB-O 3.48Å; H33-N147 HydrophobicContact CB-CB 4.3Å; H33-N147 VanDerWaalsContact CB-OD1 3.27Å; H33-N147 WeakPolarHBondContact CB-OD1 3.35Å; H33-N147 PolarHBondContact CE1-ND2 3.42Å; H33-N147 VanDerWaalsContact CG-ND2 3.32Å; H33-N147 PolarHBondContact ND1-ND2 2.76Å; H33-D293 PolarHBondContact CE1-O 3.04Å; H33-D293 IonicContact CE1-OD1 2.77Å; H33-D293 PolarHBondContact NE2-O 2.81Å; H33-V298 VanDerWaalsContact CD2-CG2 3.47Å; H33-V298 WeakPolarHBondContact CD2-CG2 3.46Å; H33-V298 VanDerWaalsContact NE2-CG2 3.27Å; H33-V298 WeakPolarHBondContact NE2-CG2 3.1Å
34T88.1Confident77.8Confident66 Ų6642 Ų4241%0.40525%0.252SS..SBendtrans-95.5-24.9-173.759.40000113.8R145T34-R145 HydrophobicContact CG2-CB 3.92Å; T34-R145 PolarHBondContact N-O 3.47Å; T34-R145 WeakPolarHBondContact OG1-CB 3.34Å; T34-R145 PolarHBondContact OG1-O 3.16Å
35N93.7Very high79.6Confident29 Ų2939.4 Ų39.416%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-156160.3-177.868.475.7000110.5W37 S146 N147N35-W37 PolarHBondContact OD1-NE1 2.79Å; N35-S146 PolarHBondContact ND2-OG 3.33Å; N35-S146 WeakPolarHBondContact O-CA 3.36Å; N35-S146 WeakPolarHBondContact OD1-CB 3.36Å; N35-S146 PolarHBondContact OD1-OG 3.17Å; N35-N147 PolarHBondContact O-N 2.67Å
36N96.9Very high81.5Confident4 Ų442.5 Ų42.52%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-116.7140.3176.3-72.8-10.2000110.1H33 I68 H72 N147 T292 D293 G296H33-N36 PolarHBondContact CD2-OD1 2.82Å; H33-N36 PolarHBondContact NE2-OD1 2.6Å; N36-I68 HydrophobicContact CB-CD1 3.47Å; N36-I68 VanDerWaalsContact CB-CD1 3.47Å; N36-I68 HydrophobicContact CB-CG1 4.27Å; N36-H72 PolarHBondContact O-ND1 3.46Å; N36-N147 CarbonylContact C-O 3.47Å; N36-N147 WeakPolarHBondContact CA-O 3.35Å; N36-N147 WeakPolarHBondContact OD1-CB 3.46Å; N36-T292 PolarHBondContact ND2-O 3.44Å; N36-D293 PolarHBondContact ND2-O 2.78Å; N36-D293 PolarHBondContact OD1-O 3.18Å; N36-G296 PolarHBondContact ND2-O 2.94Å
37W98.2Very high83.6Confident8 Ų841.8 Ų41.83%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-120.5149.6172-71.679.1000110.2N35 S71 H72 L140 L141 N147 I148 L149N35-W37 PolarHBondContact OD1-NE1 2.79Å; W37-S71 VanDerWaalsContact CH2-O 3.27Å; W37-S71 WeakPolarHBondContact CH2-O 3.4Å; W37-S71 VanDerWaalsContact CZ3-O 3.25Å; W37-S71 WeakPolarHBondContact CZ3-O 3.4Å; W37-H72 CarbonylContact C-O 3.59Å; W37-H72 VanDerWaalsContact CA-O 3.32Å; W37-H72 WeakPolarHBondContact CA-O 3.47Å; W37-H72 HydrophobicContact CD2-CB 4.2Å; W37-H72 AromaticContact CE2-CG 3.98Å; W37-H72 AromaticContact CE2-ND1 3.88Å; W37-H72 VanDerWaalsContact CE3-CA 3.48Å; W37-H72 HydrophobicContact CE3-CB 4.16Å; W37-H72 AromaticContact CH2-CD2 3.92Å; W37-H72 AromaticContact CZ2-CD2 3.79Å; W37-H72 AromaticContact CZ2-NE2 3.83Å; W37-H72 HydrophobicContact CZ3-CB 4.44Å; W37-H72 AromaticContact NE1-ND1 3.91Å; W37-L140 HydrophobicContact CB-CD1 3.8Å; W37-L140 HydrophobicContact CD2-CD1 3.75Å; W37-L140 HydrophobicContact CE3-CD1 3.58Å; W37-L140 HydrophobicContact CG-CD1 3.85Å; W37-L140 HydrophobicContact CZ3-CD1 4.43Å; W37-L141 HydrophobicContact CH2-CB 3.68Å; W37-L141 HydrophobicContact CH2-CG 4.44Å; W37-L141 HydrophobicContact CZ2-CB 3.8Å; W37-N147 PolarHBondContact N-O 3.36Å; W37-I148 HydrophobicContact CB-CG1 4.36Å; W37-I148 HydrophobicContact CB-CG2 4.47Å; W37-I148 WeakPolarHBondContact O-CA 3.15Å; W37-L149 PolarHBondContact O-N 2.95Å
38A98.6Very high85.7Confident0 Ų040.8 Ų40.80%022%0.219CC..EExtended strand (participates in β ladder)trans-125.2135.8171.600000110.8L40 V63 H72 I73 V74 L149A38-L40 HydrophobicContact CB-CD2 4.19Å; A38-L40 HydrophobicContact CB-CG 4.28Å; A38-V63 HydrophobicContact CB-CG1 4.03Å; A38-V63 HydrophobicContact CB-CG2 4.49Å; A38-H72 PolarHBondContact N-O 2.96Å; A38-I73 HydrophobicContact CB-CG1 4.3Å; A38-I73 HydrophobicContact CB-CG2 4.21Å; A38-I73 CarbonylContact O-C 3.45Å; A38-I73 WeakPolarHBondContact O-CA 3.36Å; A38-V74 PolarHBondContact O-N 3.11Å; A38-L149 CarbonylContact C-O 3.57Å; A38-L149 VanDerWaalsContact CA-O 3.29Å; A38-L149 WeakPolarHBondContact CA-O 3.32Å; A38-L149 HydrophobicContact CB-CB 4.44Å
39V98.8Very high88Confident0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-120.6109170.5-175.20000107.2V41 V74 F122 L126 L140 I148 L149 I150 Y151V39-V41 HydrophobicContact CG1-CG2 4.05Å; V39-V74 WeakPolarHBondContact CA-O 3.42Å; V39-V74 HydrophobicContact CG2-CB 4.5Å; V39-F122 HydrophobicContact CG1-CD2 4.46Å; V39-F122 HydrophobicContact CG1-CE2 3.98Å; V39-L126 HydrophobicContact CG2-CD2 4.5Å; V39-L140 HydrophobicContact CG2-CD1 4.16Å; V39-L140 HydrophobicContact CG2-CD2 4.25Å; V39-I148 HydrophobicContact CG2-CG2 4.45Å; V39-L149 PolarHBondContact N-O 2.95Å; V39-I150 HydrophobicContact CB-CG1 4.28Å; V39-I150 WeakPolarHBondContact O-CA 3.34Å; V39-Y151 PolarHBondContact O-N 3.35Å
40L98.8Very high90.3Very high0 Ų028.7 Ų28.70%017%0.166CC..EExtended strand (participates in β ladder)trans-116.1119.2-171.5-51-179.7000108.8A38 V59 Y60 I73 V74 L75 M76A38-L40 HydrophobicContact CB-CD2 4.19Å; A38-L40 HydrophobicContact CB-CG 4.28Å; L40-V59 HydrophobicContact CD1-CG1 4.39Å; L40-V59 HydrophobicContact CD2-CG1 3.8Å; L40-Y60 HydrophobicContact CD1-CD2 4.04Å; L40-Y60 HydrophobicContact CD1-CG 4.29Å; L40-I73 HydrophobicContact CD1-CG2 3.96Å; L40-I73 HydrophobicContact CG-CG2 4.3Å; L40-V74 PolarHBondContact N-O 3.24Å; L40-L75 HydrophobicContact CB-CD1 3.84Å; L40-L75 WeakPolarHBondContact O-CA 3.23Å; L40-M76 PolarHBondContact O-N 2.96Å
41V98.7Very high92.6Very high0 Ų025.9 Ų25.90%014%0.142CC..EExtended strand (participates in β ladder)trans-131118.3-170.4-171.50000110.9V39 T43 M76 V117 F122 Y151 L152 T153 F163V39-V41 HydrophobicContact CG1-CG2 4.05Å; V41-T43 HydrophobicContact CG1-CG2 3.77Å; V41-M76 WeakPolarHBondContact CA-O 3.43Å; V41-M76 HydrophobicContact CB-CB 4.36Å; V41-M76 HydrophobicContact CG1-CB 4Å; V41-M76 HydrophobicContact CG1-SD 4.35Å; V41-M76 HydrophobicContact CG2-CB 4.22Å; V41-M76 HydrophobicContact CG2-CG 4.17Å; V41-M76 HydrophobicContact CG2-SD 3.94Å; V41-V117 HydrophobicContact CG1-CG1 4.21Å; V41-F122 HydrophobicContact CG2-CD2 3.86Å; V41-F122 HydrophobicContact CG2-CE2 3.75Å; V41-Y151 PolarHBondContact N-O 3.13Å; V41-L152 HydrophobicContact CB-CD2 3.52Å; V41-L152 HydrophobicContact CG1-CD2 4.33Å; V41-L152 HydrophobicContact CG2-CD2 3.59Å; V41-T153 PolarHBondContact O-N 2.73Å; V41-F163 HydrophobicContact CG1-CE1 4.16Å; V41-F163 HydrophobicContact CG1-CZ 4.16Å
42C98.3Very high94.9Very high0 Ų023.7 Ų23.70%013%0.126CC..EExtended strand (participates in β ladder)trans-94.5112.5161.9169.10000108.5S44 H52 V53 S56 M76 L77 A78 T153C42-S44 PolarHBondContact SG-O 3.23Å; C42-H52 VanDerWaalsContact SG-CB 3.51Å; C42-V53 VanDerWaalsContact SG-CG2 3.6Å; C42-S56 WeakPolarHBondContact CB-OG 3.43Å; C42-S56 PolarHBondContact N-OG 3.46Å; C42-M76 PolarHBondContact N-O 2.62Å; C42-L77 HydrophobicContact CB-CD2 3.82Å; C42-A78 VanDerWaalsContact O-CB 3.24Å; C42-A78 WeakPolarHBondContact O-CB 3.41Å; C42-A78 PolarHBondContact O-N 2.64Å; C42-A78 VanDerWaalsContact O-N 3.12Å; C42-T153 HydrophobicContact CB-CG2 4.31Å
43T97.9Very high96.1Very high0 Ų021 Ų210%010%0.097CC..  trans-89.8-9.9-175.470.50000113.3V41 T153 L161 K162 F163 Q164V41-T43 HydrophobicContact CG1-CG2 3.77Å; T43-T153 PolarHBondContact N-O 3.24Å; T43-T153 PolarHBondContact OG1-O 3.36Å; T43-L161 HydrophobicContact CG2-CD2 3.74Å; T43-L161 HydrophobicContact CG2-CG 4.35Å; T43-K162 WeakPolarHBondContact CB-O 3.47Å; T43-K162 PolarHBondContact OG1-O 2.92Å; T43-F163 HydrophobicContact CG2-CD1 4.29Å; T43-F163 HydrophobicContact CG2-CD2 3.78Å; T43-F163 HydrophobicContact CG2-CE1 3.96Å; T43-F163 HydrophobicContact CG2-CE2 3.38Å; T43-F163 HydrophobicContact CG2-CG 4.21Å; T43-F163 HydrophobicContact CG2-CZ 3.49Å; T43-F163 VanDerWaalsContact CG2-CZ 3.49Å; T43-Q164 PolarHBondContact O-N 2.71Å
44S96.7Very high96.7Very high5 Ų520.2 Ų20.24%0.0359%0.094CC..  trans-99.4155.2-173.4-61.30000113.5C42 H52 A78 G154 H155C42-S44 PolarHBondContact SG-O 3.23Å; S44-H52 WeakPolarHBondContact CB-ND1 3.35Å; S44-H52 PolarHBondContact OG-CE1 3Å; S44-H52 PolarHBondContact OG-ND1 2.77Å; S44-A78 WeakPolarHBondContact O-CB 3.18Å; S44-G154 WeakPolarHBondContact OG-CA 3.46Å; S44-H155 PolarHBondContact OG-N 3.24Å
45R94.6Very high97.2Very high32 Ų3217.1 Ų17.112%0.1218%0.075CC..  trans-134174.5178.748172.349.2161.8-7.7112N49 A78 D79 G114 Q164R45-N49 PolarHBondContact O-ND2 3.41Å; R45-A78 PolarHBondContact NE-O 3.2Å; R45-A78 PolarHBondContact NH2-O 3.01Å; R45-D79 HydrophobicContact CB-CB 3.78Å; R45-G114 PolarHBondContact NH2-O 3.14Å; R45-Q164 VanDerWaalsContact CD-O 3.3Å; R45-Q164 WeakPolarHBondContact CD-O 3.32Å; R45-Q164 VanDerWaalsContact CZ-CB 3.5Å
46F95.4Very high97.4Very high99 Ų9915.7 Ų15.743%0.4347%0.068SC..SBendtrans75.4152.1-172.2-45.5-62.4000114F48 N49 D79 D165F46-F48 VanDerWaalsContact C-N 3.29Å; F46-F48 HydrophobicContact CB-CD1 3.72Å; F46-F48 HydrophobicContact CB-CE1 3.35Å; F46-F48 HydrophobicContact CB-CZ 4.03Å; F46-F48 AromaticContact CD2-CE1 3.75Å; F46-F48 HydrophobicContact CD2-CE1 3.75Å; F46-F48 AromaticContact CD2-CZ 3.82Å; F46-F48 HydrophobicContact CD2-CZ 3.82Å; F46-F48 AromaticContact CG-CE1 3.86Å; F46-F48 HydrophobicContact CG-CE1 3.86Å; F46-F48 HydrophobicContact CG-CZ 4.35Å; F46-F48 PolarHBondContact O-N 2.96Å; F46-N49 WeakPolarHBondContact O-CB 3.47Å; F46-N49 PolarHBondContact O-N 2.77Å; F46-D79 WeakPolarHBondContact CA-OD2 3.45Å; F46-D79 PolarHBondContact N-OD2 2.92Å; F46-D165 HydrophobicContact CE2-CB 4.33Å
47W96.3Very high97.4Very high24 Ų2415.5 Ų15.59%0.0917%0.066CC..G310 helixtrans-56.7-36.5-172.8-174.5-112.2000114.5N49 Y50 M81 N84 R86 N87 I232W47-N49 PolarHBondContact O-N 2.91Å; W47-N49 VanDerWaalsContact O-N 3.09Å; W47-Y50 HydrophobicContact CE3-CD2 4.14Å; W47-Y50 AromaticContact CH2-CD2 3.59Å; W47-Y50 HydrophobicContact CH2-CD2 3.59Å; W47-Y50 AromaticContact CH2-CE2 3.66Å; W47-Y50 HydrophobicContact CH2-CE2 3.66Å; W47-Y50 HydrophobicContact CZ2-CD2 4.22Å; W47-Y50 HydrophobicContact CZ2-CE2 4.48Å; W47-Y50 AromaticContact CZ3-CD2 3.56Å; W47-Y50 HydrophobicContact CZ3-CD2 3.56Å; W47-Y50 AromaticContact CZ3-CE2 3.9Å; W47-Y50 HydrophobicContact CZ3-CE2 3.9Å; W47-Y50 WeakPolarHBondContact O-CB 3.31Å; W47-Y50 PolarHBondContact O-N 3.09Å; W47-M81 HydrophobicContact CE3-SD 3.68Å; W47-M81 HydrophobicContact CZ3-CB 4.21Å; W47-M81 HydrophobicContact CZ3-SD 4.01Å; W47-N84 HydrophobicContact CE3-CB 3.66Å; W47-N84 VanDerWaalsContact CE3-CG 3.49Å; W47-N84 HydrophobicContact CZ3-CB 3.66Å; W47-R86 HydrophobicContact CD2-CB 3.64Å; W47-R86 HydrophobicContact CE3-CB 4.2Å; W47-R86 HydrophobicContact CG-CB 3.82Å; W47-R86 HydrophobicContact CG-CG 4.27Å; W47-R86 HydrophobicContact CZ2-CB 4.12Å; W47-N87 HydrophobicContact CH2-CB 3.47Å; W47-N87 VanDerWaalsContact CH2-CB 3.47Å; W47-N87 HydrophobicContact CZ2-CB 4.4Å; W47-N87 HydrophobicContact CZ3-CB 3.84Å; W47-I232 HydrophobicContact CH2-CG2 3.92Å; W47-I232 HydrophobicContact CZ2-CG2 3.33Å; W47-I232 PolarHBondContact NE1-O 3.4Å; W47-I232 VanDerWaalsContact NE1-O 3.15Å
48F95.3Very high97.4Very high117 Ų11715.4 Ų15.451%0.5137%0.067SC..G310 helixtrans-65.9-13.6179.263.4-94.9000113.4F46 R51F46-F48 VanDerWaalsContact C-N 3.29Å; F46-F48 HydrophobicContact CB-CD1 3.72Å; F46-F48 HydrophobicContact CB-CE1 3.35Å; F46-F48 HydrophobicContact CB-CZ 4.03Å; F46-F48 AromaticContact CD2-CE1 3.75Å; F46-F48 HydrophobicContact CD2-CE1 3.75Å; F46-F48 AromaticContact CD2-CZ 3.82Å; F46-F48 HydrophobicContact CD2-CZ 3.82Å; F46-F48 AromaticContact CG-CE1 3.86Å; F46-F48 HydrophobicContact CG-CE1 3.86Å; F46-F48 HydrophobicContact CG-CZ 4.35Å; F46-F48 PolarHBondContact O-N 2.96Å; F48-R51 PolarHBondContact O-NH1 2.91Å
49N97.1Very high97.3Very high6 Ų615.4 Ų15.43%0.0327%0.067CC..G310 helixtrans-100.920174.9-66.5-36000113.4R45 F46 W47 R51 H52 H155R45-N49 PolarHBondContact O-ND2 3.41Å; F46-N49 WeakPolarHBondContact O-CB 3.47Å; F46-N49 PolarHBondContact O-N 2.77Å; W47-N49 PolarHBondContact O-N 2.91Å; W47-N49 VanDerWaalsContact O-N 3.09Å; N49-R51 PolarHBondContact O-N 2.88Å; N49-R51 PolarHBondContact OD1-NH1 2.78Å; N49-H52 PolarHBondContact O-N 3.1Å; N49-H155 PolarHBondContact OD1-NE2 3.37Å
50Y97.4Very high97.3Very high0 Ų015.6 Ų15.60%07%0.068CC..Hα-helixtrans-41.6-45.6176-176.1-80.8000113.6W47 H52 V53 A54 M81 V93 F94 I232 V234 L236W47-Y50 HydrophobicContact CE3-CD2 4.14Å; W47-Y50 AromaticContact CH2-CD2 3.59Å; W47-Y50 HydrophobicContact CH2-CD2 3.59Å; W47-Y50 AromaticContact CH2-CE2 3.66Å; W47-Y50 HydrophobicContact CH2-CE2 3.66Å; W47-Y50 HydrophobicContact CZ2-CD2 4.22Å; W47-Y50 HydrophobicContact CZ2-CE2 4.48Å; W47-Y50 AromaticContact CZ3-CD2 3.56Å; W47-Y50 HydrophobicContact CZ3-CD2 3.56Å; W47-Y50 AromaticContact CZ3-CE2 3.9Å; W47-Y50 HydrophobicContact CZ3-CE2 3.9Å; W47-Y50 WeakPolarHBondContact O-CB 3.31Å; W47-Y50 PolarHBondContact O-N 3.09Å; Y50-H52 VanDerWaalsContact C-N 3.3Å; Y50-H52 PolarHBondContact O-N 2.89Å; Y50-V53 PolarHBondContact O-N 3.05Å; Y50-V53 VanDerWaalsContact O-N 3.13Å; Y50-A54 HydrophobicContact CD1-CB 4.25Å; Y50-A54 HydrophobicContact CE1-CB 4.09Å; Y50-A54 PolarHBondContact O-N 3.25Å; Y50-M81 HydrophobicContact CD2-CB 3.7Å; Y50-M81 HydrophobicContact CD2-CG 3.77Å; Y50-M81 HydrophobicContact CD2-SD 4.04Å; Y50-M81 HydrophobicContact CE2-CB 3.8Å; Y50-M81 HydrophobicContact CE2-CG 4.35Å; Y50-M81 HydrophobicContact CG-CG 4.23Å; Y50-M81 HydrophobicContact CG-SD 4.5Å; Y50-V93 HydrophobicContact CE1-CG1 3.95Å; Y50-V93 HydrophobicContact CE2-CG1 4.43Å; Y50-V93 VanDerWaalsContact OH-CA 3.27Å; Y50-V93 WeakPolarHBondContact OH-CA 3.5Å; Y50-F94 WeakPolarHBondContact CE1-O 3.43Å; Y50-F94 PolarHBondContact OH-N 3.41Å; Y50-I232 HydrophobicContact CD2-CG2 4.24Å; Y50-I232 HydrophobicContact CE2-CG2 4.18Å; Y50-V234 HydrophobicContact CD1-CG2 4.5Å; Y50-V234 HydrophobicContact CG-CG2 3.99Å; Y50-L236 HydrophobicContact CD1-CD2 3.94Å; Y50-L236 HydrophobicContact CE1-CD2 3.63Å
51R97.1Very high97.1Very high29 Ų2919.4 Ų19.411%0.1098%0.082CC..Hα-helixtrans-53-38.517964.6-165.5-168.6-71.2-14114.8F48 N49 V53 A54 N55 H155 H235 L236 D238F48-R51 PolarHBondContact O-NH1 2.91Å; N49-R51 PolarHBondContact O-N 2.88Å; N49-R51 PolarHBondContact OD1-NH1 2.78Å; R51-V53 VanDerWaalsContact C-N 3.33Å; R51-V53 PolarHBondContact O-N 2.73Å; R51-A54 PolarHBondContact O-N 3.44Å; R51-N55 VanDerWaalsContact O-CB 3.28Å; R51-N55 WeakPolarHBondContact O-CB 3.35Å; R51-N55 PolarHBondContact O-N 3.03Å; R51-N55 PolarHBondContact O-ND2 2.77Å; R51-N55 PolarHBondContact O-OD1 3.24Å; R51-N55 VanDerWaalsContact O-OD1 3.07Å; R51-H155 PolarHBondContact NH2-CE1 3.02Å; R51-H235 WeakPolarHBondContact CB-O 3.37Å; R51-H235 PolarHBondContact N-O 3.44Å; R51-L236 WeakPolarHBondContact CA-O 3.42Å; R51-D238 WeakPolarHBondContact CD-OD1 3.26Å; R51-D238 IonicContact NE-OD1 3.81Å; R51-D238 PolarHBondContact NE-OD1 2.77Å; R51-D238 IonicContact NE-OD2 3.8Å
52H98Very high97Very high4 Ų419.4 Ų19.42%0.0198%0.082CC..Hα-helixtrans-67.7-36.6-178.1-59152.2000111.2C42 S44 N49 Y50 S56 T153 H155 D238C42-H52 VanDerWaalsContact SG-CB 3.51Å; S44-H52 WeakPolarHBondContact CB-ND1 3.35Å; S44-H52 PolarHBondContact OG-CE1 3Å; S44-H52 PolarHBondContact OG-ND1 2.77Å; N49-H52 PolarHBondContact O-N 3.1Å; Y50-H52 VanDerWaalsContact C-N 3.3Å; Y50-H52 PolarHBondContact O-N 2.89Å; H52-S56 PolarHBondContact O-N 3.17Å; H52-S56 PolarHBondContact O-OG 3.43Å; H52-T153 HydrophobicContact CB-CG2 4.18Å; H52-T153 PolarHBondContact CD2-OG1 3.39Å; H52-T153 VanDerWaalsContact O-CG2 3.26Å; H52-T153 WeakPolarHBondContact O-CG2 3.42Å; H52-H155 AromaticContact CE1-CD2 3.65Å; H52-H155 AromaticContact CE1-CE1 3.81Å; H52-H155 AromaticContact CE1-NE2 3.49Å; H52-H155 PolarHBondContact CE1-NE2 3.06Å; H52-D238 IonicContact CD2-OD2 2.7Å; H52-D238 PolarHBondContact CD2-OD2 2.73Å; H52-D238 IonicContact NE2-OD2 2.93Å
53V97.6Very high96.9Very high2 Ų219.4 Ų19.41%0.0128%0.082CC..Hα-helixtrans-68.5-45.6173.5174.20000110.3C42 Y50 R51 N55 S56 L57 L77 M81C42-V53 VanDerWaalsContact SG-CG2 3.6Å; Y50-V53 PolarHBondContact O-N 3.05Å; Y50-V53 VanDerWaalsContact O-N 3.13Å; R51-V53 VanDerWaalsContact C-N 3.33Å; R51-V53 PolarHBondContact O-N 2.73Å; V53-N55 VanDerWaalsContact C-N 3.32Å; V53-N55 PolarHBondContact O-N 3.24Å; V53-S56 PolarHBondContact O-N 2.95Å; V53-L57 HydrophobicContact CG1-CD1 3.77Å; V53-L57 HydrophobicContact CG1-CG 4.35Å; V53-L57 WeakPolarHBondContact O-CB 3.5Å; V53-L57 VanDerWaalsContact O-CG 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.26Å; V53-L57 PolarHBondContact O-N 2.97Å; V53-L77 HydrophobicContact CG1-CD1 4.32Å; V53-L77 HydrophobicContact CG1-CD2 4.4Å; V53-M81 HydrophobicContact CB-CG 3.73Å; V53-M81 HydrophobicContact CG1-CB 4.34Å; V53-M81 HydrophobicContact CG1-CG 3.96Å; V53-M81 HydrophobicContact CG2-CE 3.87Å; V53-M81 HydrophobicContact CG2-CG 3.86Å
54A97.3Very high96.8Very high0 Ų021.2 Ų21.20%09%0.09CC..Hα-helixtrans-61.9-37.6177.800000112.8Y50 R51 S58 V93 L236Y50-A54 HydrophobicContact CD1-CB 4.25Å; Y50-A54 HydrophobicContact CE1-CB 4.09Å; Y50-A54 PolarHBondContact O-N 3.25Å; R51-A54 PolarHBondContact O-N 3.44Å; A54-S58 VanDerWaalsContact O-CB 3.28Å; A54-S58 WeakPolarHBondContact O-CB 3.19Å; A54-S58 PolarHBondContact O-N 3.49Å; A54-S58 PolarHBondContact O-OG 3.49Å; A54-V93 HydrophobicContact CB-CG1 3.83Å; A54-L236 WeakPolarHBondContact CB-O 3.4Å
55N98.1Very high96.7Very high0 Ų025.5 Ų25.50%011%0.105CC..Hα-helixtrans-58.6-57174-74-4.6000111R51 V53 L57 S58 V59 Y151 T153 M237 D238 T241R51-N55 VanDerWaalsContact O-CB 3.28Å; R51-N55 WeakPolarHBondContact O-CB 3.35Å; R51-N55 PolarHBondContact O-N 3.03Å; R51-N55 PolarHBondContact O-ND2 2.77Å; R51-N55 PolarHBondContact O-OD1 3.24Å; R51-N55 VanDerWaalsContact O-OD1 3.07Å; V53-N55 VanDerWaalsContact C-N 3.32Å; V53-N55 PolarHBondContact O-N 3.24Å; N55-L57 VanDerWaalsContact C-N 3.33Å; N55-L57 PolarHBondContact O-N 3.33Å; N55-S58 PolarHBondContact O-N 2.9Å; N55-S58 VanDerWaalsContact O-N 3.14Å; N55-V59 WeakPolarHBondContact O-CG2 3.49Å; N55-V59 PolarHBondContact O-N 3.03Å; N55-Y151 HydrophobicContact CB-CE1 4.49Å; N55-Y151 WeakPolarHBondContact CB-OH 3.35Å; N55-T153 HydrophobicContact CB-CG2 4Å; N55-T153 PolarHBondContact ND2-OG1 3.07Å; N55-M237 WeakPolarHBondContact OD1-CA 3.34Å; N55-M237 VanDerWaalsContact OD1-CG 3.26Å; N55-M237 WeakPolarHBondContact OD1-CG 3.4Å; N55-D238 PolarHBondContact ND2-OD2 3.48Å; N55-D238 PolarHBondContact OD1-N 3.44Å; N55-D238 VanDerWaalsContact OD1-N 3.16Å; N55-T241 HydrophobicContact CB-CG2 3.81Å
56S98.2Very high96.7Very high0 Ų024.1 Ų24.10%010%0.1CC..Hα-helixtrans-59.9-42.5-179.3-65.20000112.3C42 H52 V53 S58 V59 Y60 T153C42-S56 WeakPolarHBondContact CB-OG 3.43Å; C42-S56 PolarHBondContact N-OG 3.46Å; H52-S56 PolarHBondContact O-N 3.17Å; H52-S56 PolarHBondContact O-OG 3.43Å; V53-S56 PolarHBondContact O-N 2.95Å; S56-S58 VanDerWaalsContact C-N 3.34Å; S56-S58 PolarHBondContact O-N 3.49Å; S56-V59 PolarHBondContact O-N 3.3Å; S56-Y60 VanDerWaalsContact O-CB 3.28Å; S56-Y60 WeakPolarHBondContact O-CB 3.4Å; S56-Y60 PolarHBondContact O-N 3.01Å; S56-T153 VanDerWaalsContact OG-CG2 3.26Å; S56-T153 WeakPolarHBondContact OG-CG2 3.3Å
57L97.8Very high96.7Very high0 Ų020.3 Ų20.30%09%0.089CC..Hα-helixtrans-64.2-37.7176.1-71.4173.2000112.5V53 N55 Y60 R61 L75 L77 V93 V103 Y104 V108V53-L57 HydrophobicContact CG1-CD1 3.77Å; V53-L57 HydrophobicContact CG1-CG 4.35Å; V53-L57 WeakPolarHBondContact O-CB 3.5Å; V53-L57 VanDerWaalsContact O-CG 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.26Å; V53-L57 PolarHBondContact O-N 2.97Å; N55-L57 VanDerWaalsContact C-N 3.33Å; N55-L57 PolarHBondContact O-N 3.33Å; L57-Y60 WeakPolarHBondContact O-CB 3.49Å; L57-Y60 PolarHBondContact O-N 2.96Å; L57-R61 PolarHBondContact O-N 3.29Å; L57-L75 HydrophobicContact CD2-CD2 4.2Å; L57-L77 HydrophobicContact CD2-CD1 3.97Å; L57-L77 HydrophobicContact CG-CD1 4.34Å; L57-V93 HydrophobicContact CD1-CB 3.99Å; L57-V93 HydrophobicContact CD1-CG1 3.98Å; L57-V93 HydrophobicContact CD1-CG2 4.08Å; L57-V103 HydrophobicContact CB-CB 4.07Å; L57-V103 HydrophobicContact CB-CG2 3.76Å; L57-V103 HydrophobicContact CD1-CG2 4.21Å; L57-Y104 HydrophobicContact CD1-CD2 4Å; L57-Y104 HydrophobicContact CD2-CD2 4.38Å; L57-V108 HydrophobicContact CD2-CB 4.45Å; L57-V108 HydrophobicContact CD2-CG1 3.62Å; L57-V108 HydrophobicContact CD2-CG2 4.1Å
58S96.8Very high96.6Very high5 Ų519.3 Ų19.34%0.0359%0.086CC..Hα-helixtrans-68.7-42.9177.6-59.30000111.8A54 N55 S56 Y60 R61 S62 S95A54-S58 VanDerWaalsContact O-CB 3.28Å; A54-S58 WeakPolarHBondContact O-CB 3.19Å; A54-S58 PolarHBondContact O-N 3.49Å; A54-S58 PolarHBondContact O-OG 3.49Å; N55-S58 PolarHBondContact O-N 2.9Å; N55-S58 VanDerWaalsContact O-N 3.14Å; S56-S58 VanDerWaalsContact C-N 3.34Å; S56-S58 PolarHBondContact O-N 3.49Å; S58-Y60 VanDerWaalsContact C-N 3.33Å; S58-R61 PolarHBondContact O-N 3.14Å; S58-S62 PolarHBondContact O-N 2.92Å; S58-S62 PolarHBondContact O-OG 2.94Å; S58-S95 WeakPolarHBondContact OG-CB 3.46Å; S58-S95 PolarHBondContact OG-OG 2.91Å
59V97.8Very high96.6Very high1 Ų116.2 Ų16.21%0.0068%0.077CC..Hα-helixtrans-63.9-41.4174.7176.30000110.5L40 N55 S56 R61 S62 V63 Y151 T241 L245L40-V59 HydrophobicContact CD1-CG1 4.39Å; L40-V59 HydrophobicContact CD2-CG1 3.8Å; N55-V59 WeakPolarHBondContact O-CG2 3.49Å; N55-V59 PolarHBondContact O-N 3.03Å; S56-V59 PolarHBondContact O-N 3.3Å; V59-R61 VanDerWaalsContact C-N 3.32Å; V59-R61 PolarHBondContact O-N 2.97Å; V59-S62 PolarHBondContact O-N 3.38Å; V59-S62 VanDerWaalsContact O-N 3.14Å; V59-V63 HydrophobicContact CG1-CG2 4.37Å; V59-V63 WeakPolarHBondContact O-CG2 3.32Å; V59-V63 PolarHBondContact O-N 2.96Å; V59-Y151 HydrophobicContact CB-CD1 4.3Å; V59-Y151 HydrophobicContact CB-CE1 4.48Å; V59-Y151 HydrophobicContact CG1-CD1 4.38Å; V59-Y151 HydrophobicContact CG1-CG 4.23Å; V59-Y151 HydrophobicContact CG2-CD1 4.1Å; V59-Y151 HydrophobicContact CG2-CD2 4.27Å; V59-Y151 HydrophobicContact CG2-CE1 3.91Å; V59-Y151 HydrophobicContact CG2-CE2 4.1Å; V59-Y151 HydrophobicContact CG2-CG 4.28Å; V59-T241 HydrophobicContact CG2-CG2 4.49Å; V59-L245 HydrophobicContact CG2-CD2 4.1Å
60Y97.9Very high96.6Very high4 Ų417.7 Ų17.72%0.0169%0.085CC..Hα-helixtrans-55.2-47.3173.9175.5-88.9000111.6L40 S56 L57 S58 S62 V63 K64 D70 I73 L75 D107 V108 E109L40-Y60 HydrophobicContact CD1-CD2 4.04Å; L40-Y60 HydrophobicContact CD1-CG 4.29Å; S56-Y60 VanDerWaalsContact O-CB 3.28Å; S56-Y60 WeakPolarHBondContact O-CB 3.4Å; S56-Y60 PolarHBondContact O-N 3.01Å; L57-Y60 WeakPolarHBondContact O-CB 3.49Å; L57-Y60 PolarHBondContact O-N 2.96Å; S58-Y60 VanDerWaalsContact C-N 3.33Å; Y60-S62 PolarHBondContact O-N 3.44Å; Y60-V63 PolarHBondContact O-N 2.99Å; Y60-K64 HydrophobicContact CD1-CD 3.95Å; Y60-K64 HydrophobicContact CD1-CG 4.4Å; Y60-K64 HydrophobicContact CE1-CD 3.23Å; Y60-K64 HydrophobicContact CE1-CG 4.07Å; Y60-K64 HydrophobicContact CE2-CD 4.32Å; Y60-K64 VanDerWaalsContact CZ-CD 3.46Å; Y60-K64 PolarHBondContact O-N 3.4Å; Y60-D70 VanDerWaalsContact CZ-OD1 3.31Å; Y60-D70 PolarHBondContact OH-OD1 2.96Å; Y60-I73 HydrophobicContact CD2-CB 4.48Å; Y60-I73 HydrophobicContact CD2-CD1 4.28Å; Y60-I73 HydrophobicContact CD2-CG2 3.55Å; Y60-I73 HydrophobicContact CE2-CB 4.19Å; Y60-I73 HydrophobicContact CE2-CD1 4.04Å; Y60-I73 HydrophobicContact CE2-CG2 3.68Å; Y60-L75 HydrophobicContact CD2-CB 4.25Å; Y60-L75 HydrophobicContact CD2-CD2 3.88Å; Y60-L75 HydrophobicContact CD2-CG 4.44Å; Y60-L75 HydrophobicContact CE2-CB 4.4Å; Y60-L75 HydrophobicContact CE2-CD2 4.15Å; Y60-L75 HydrophobicContact CG-CD2 4.25Å; Y60-D107 PolarHBondContact OH-O 2.71Å; Y60-V108 HydrophobicContact CD1-CG2 3.92Å; Y60-V108 HydrophobicContact CE1-CB 4.07Å; Y60-V108 HydrophobicContact CE1-CG1 4.14Å; Y60-V108 HydrophobicContact CE1-CG2 3.64Å; Y60-E109 PolarHBondContact OH-N 2.92Å
61R95.9Very high96.5Very high79 Ų7920.8 Ų20.830%0.29811%0.106SC..Hα-helixtrans-60.4-44.2175177175.8167.3-94.80.4112.2L57 S58 V59 V63 K64 R65 E249L57-R61 PolarHBondContact O-N 3.29Å; S58-R61 PolarHBondContact O-N 3.14Å; V59-R61 VanDerWaalsContact C-N 3.32Å; V59-R61 PolarHBondContact O-N 2.97Å; R61-V63 VanDerWaalsContact C-N 3.33Å; R61-V63 PolarHBondContact O-N 3.3Å; R61-K64 PolarHBondContact O-N 3.1Å; R61-R65 VanDerWaalsContact O-CB 3.24Å; R61-R65 WeakPolarHBondContact O-CB 3.39Å; R61-R65 PolarHBondContact O-N 3.48Å; R61-E249 IonicContact CZ-OE1 2.97Å; R61-E249 IonicContact NH1-OE1 2.85Å; R61-E249 PolarHBondContact NH1-OE1 3.5Å
62S95.9Very high96.5Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-60.8-42.7177.9-59.60000111.9S58 V59 Y60 R65 L66 L245S58-S62 PolarHBondContact O-N 2.92Å; S58-S62 PolarHBondContact O-OG 2.94Å; V59-S62 PolarHBondContact O-N 3.38Å; V59-S62 VanDerWaalsContact O-N 3.14Å; Y60-S62 PolarHBondContact O-N 3.44Å; S62-R65 PolarHBondContact O-N 3.35Å; S62-L66 WeakPolarHBondContact O-CG 3.24Å; S62-L66 PolarHBondContact O-N 2.68Å; S62-L66 VanDerWaalsContact O-N 3.1Å; S62-L245 WeakPolarHBondContact OG-CD2 3.4Å
63V96.9Very high96.5Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-63.3-47.2176.7168.10000111.5A38 V59 Y60 R61 R65 L66 G67 I68 I73 L149 F295A38-V63 HydrophobicContact CB-CG1 4.03Å; A38-V63 HydrophobicContact CB-CG2 4.49Å; V59-V63 HydrophobicContact CG1-CG2 4.37Å; V59-V63 WeakPolarHBondContact O-CG2 3.32Å; V59-V63 PolarHBondContact O-N 2.96Å; Y60-V63 PolarHBondContact O-N 2.99Å; R61-V63 VanDerWaalsContact C-N 3.33Å; R61-V63 PolarHBondContact O-N 3.3Å; V63-R65 PolarHBondContact O-N 3.14Å; V63-L66 PolarHBondContact O-N 3.45Å; V63-G67 PolarHBondContact O-N 3.21Å; V63-I68 HydrophobicContact CG1-CB 3.6Å; V63-I68 HydrophobicContact CG1-CD1 3.83Å; V63-I68 HydrophobicContact CG1-CG1 4Å; V63-I68 HydrophobicContact CG1-CG2 4.03Å; V63-I68 PolarHBondContact O-N 2.9Å; V63-I73 HydrophobicContact CG1-CD1 3.72Å; V63-I73 HydrophobicContact CG1-CG1 4.02Å; V63-L149 HydrophobicContact CG2-CD2 3.82Å; V63-F295 HydrophobicContact CG2-CD1 4.04Å
64K95.1Very high96.5Very high39 Ų3921.3 Ų21.317%0.1711%0.11CC..Hα-helixtrans-61.6-43.3175.3-75.9-168.369.7152.50112.6Y60 R61 L66 G67 D70 I73 D107Y60-K64 HydrophobicContact CD1-CD 3.95Å; Y60-K64 HydrophobicContact CD1-CG 4.4Å; Y60-K64 HydrophobicContact CE1-CD 3.23Å; Y60-K64 HydrophobicContact CE1-CG 4.07Å; Y60-K64 HydrophobicContact CE2-CD 4.32Å; Y60-K64 VanDerWaalsContact CZ-CD 3.46Å; Y60-K64 PolarHBondContact O-N 3.4Å; R61-K64 PolarHBondContact O-N 3.1Å; K64-L66 PolarHBondContact O-N 3.11Å; K64-G67 WeakPolarHBondContact O-CA 3.47Å; K64-G67 PolarHBondContact O-N 2.7Å; K64-D70 VanDerWaalsContact CD-OD1 3.31Å; K64-D70 WeakPolarHBondContact CD-OD1 3.17Å; K64-D70 WeakPolarHBondContact CE-OD1 3.43Å; K64-D70 VanDerWaalsContact NZ-CG 3.28Å; K64-D70 IonicContact NZ-OD1 3.64Å; K64-D70 PolarHBondContact NZ-OD1 3.27Å; K64-D70 IonicContact NZ-OD2 3.48Å; K64-D70 PolarHBondContact NZ-OD2 3.29Å; K64-I73 HydrophobicContact CG-CD1 3.64Å; K64-D107 WeakPolarHBondContact CE-OD2 3.33Å; K64-D107 PolarHBondContact NZ-O 2.67Å; K64-D107 IonicContact NZ-OD1 3.49Å; K64-D107 PolarHBondContact NZ-OD1 3.26Å; K64-D107 IonicContact NZ-OD2 3.79Å; K64-D107 PolarHBondContact NZ-OD2 3.08Å
65R94.3Very high96.6Very high94 Ų9421.3 Ų21.336%0.35511%0.11SC..Hα-helixtrans-60.8-32.9178.5-173.5-178.767.3133.723.8112.2R61 S62 V63 L248 E249 I251R61-R65 VanDerWaalsContact O-CB 3.24Å; R61-R65 WeakPolarHBondContact O-CB 3.39Å; R61-R65 PolarHBondContact O-N 3.48Å; S62-R65 PolarHBondContact O-N 3.35Å; V63-R65 PolarHBondContact O-N 3.14Å; R65-L248 PolarHBondContact NH2-O 3.24Å; R65-E249 IonicContact CZ-OE2 2.67Å; R65-E249 PolarHBondContact NH1-O 3.37Å; R65-E249 IonicContact NH1-OE2 2.75Å; R65-E249 PolarHBondContact NH1-OE2 3.27Å; R65-E249 VanDerWaalsContact NH2-CA 3.34Å; R65-E249 PolarHBondContact NH2-O 3.21Å; R65-E249 VanDerWaalsContact NH2-O 3.09Å; R65-I251 PolarHBondContact NH2-O 2.87Å; R65-I251 VanDerWaalsContact NH2-O 3.07Å
66L95.3Very high96.6Very high4 Ų421.3 Ų21.32%0.02111%0.11CC..THydrogen-bonded Turntrans-841.4174.8-69.1171000113.4S62 V63 K64 I251 F295 S297S62-L66 WeakPolarHBondContact O-CG 3.24Å; S62-L66 PolarHBondContact O-N 2.68Å; S62-L66 VanDerWaalsContact O-N 3.1Å; V63-L66 PolarHBondContact O-N 3.45Å; K64-L66 PolarHBondContact O-N 3.11Å; L66-I251 HydrophobicContact CD1-CG2 4.27Å; L66-I251 HydrophobicContact CD2-CG2 4Å; L66-I251 WeakPolarHBondContact CD2-O 3.5Å; L66-F295 WeakPolarHBondContact CB-O 3.24Å; L66-F295 HydrophobicContact CD1-CB 3.57Å; L66-S297 PolarHBondContact O-N 3.4Å
67G93.9Very high96.6Very high19 Ų1921.6 Ų21.620%0.19611%0.112CC..THydrogen-bonded Turntrans104.41.1161.200000115.9V63 K64 S297 R299V63-G67 PolarHBondContact O-N 3.21Å; K64-G67 WeakPolarHBondContact O-CA 3.47Å; K64-G67 PolarHBondContact O-N 2.7Å; G67-S297 VanDerWaalsContact C-CB 3.48Å; G67-S297 WeakPolarHBondContact O-CB 3.02Å; G67-S297 PolarHBondContact O-OG 2.77Å; G67-R299 PolarHBondContact O-NH2 3.05Å; G67-R299 VanDerWaalsContact O-NH2 3.15Å
68I95.8Very high96.6Very high3 Ų321.7 Ų21.72%0.01511%0.112CC..  trans-68.3123.4175.5-58.1-167.9000108.1N36 V63 H72 I73 G296N36-I68 HydrophobicContact CB-CD1 3.47Å; N36-I68 VanDerWaalsContact CB-CD1 3.47Å; N36-I68 HydrophobicContact CB-CG1 4.27Å; V63-I68 HydrophobicContact CG1-CB 3.6Å; V63-I68 HydrophobicContact CG1-CD1 3.83Å; V63-I68 HydrophobicContact CG1-CG1 4Å; V63-I68 HydrophobicContact CG1-CG2 4.03Å; V63-I68 PolarHBondContact O-N 2.9Å; I68-H72 HydrophobicContact CG2-CB 3.75Å; I68-I73 HydrophobicContact CG2-CD1 4.27Å; I68-I73 HydrophobicContact CG2-CG1 3.78Å; I68-G296 WeakPolarHBondContact CG1-O 3.34Å
69P95.1Very high96.5Very high51 Ų5123.4 Ų23.433%0.33112%0.121SC..  trans-76.8158.1-178.632.7-36.1000111.7S71 H72P69-S71 PolarHBondContact O-N 2.75Å; P69-S71 VanDerWaalsContact O-N 3.16Å; P69-H72 HydrophobicContact CG-CB 4.22Å; P69-H72 WeakPolarHBondContact O-CA 3.26Å; P69-H72 WeakPolarHBondContact O-CB 3.44Å; P69-H72 PolarHBondContact O-N 3.38Å
70D95.9Very high96.4Very high37 Ų3726 Ų2620%0.19814%0.135CC..G310 helixtrans-56.9-33.7179.4-66-41.3000113.5Y60 K64 H72 I73 E109Y60-D70 VanDerWaalsContact CZ-OD1 3.31Å; Y60-D70 PolarHBondContact OH-OD1 2.96Å; K64-D70 VanDerWaalsContact CD-OD1 3.31Å; K64-D70 WeakPolarHBondContact CD-OD1 3.17Å; K64-D70 WeakPolarHBondContact CE-OD1 3.43Å; K64-D70 VanDerWaalsContact NZ-CG 3.28Å; K64-D70 IonicContact NZ-OD1 3.64Å; K64-D70 PolarHBondContact NZ-OD1 3.27Å; K64-D70 IonicContact NZ-OD2 3.48Å; K64-D70 PolarHBondContact NZ-OD2 3.29Å; D70-H72 PolarHBondContact O-N 3.38Å; D70-I73 PolarHBondContact O-N 3.49Å; D70-I73 VanDerWaalsContact O-O 3.05Å; D70-E109 HydrophobicContact CB-CB 4.47Å
71S95.7Very high96.3Very high65 Ų6525.9 Ų25.946%0.45513%0.134SC..G310 helixtrans-58.9-13.7174.657.80000114.3W37 P69W37-S71 VanDerWaalsContact CH2-O 3.27Å; W37-S71 WeakPolarHBondContact CH2-O 3.4Å; W37-S71 VanDerWaalsContact CZ3-O 3.25Å; W37-S71 WeakPolarHBondContact CZ3-O 3.4Å; P69-S71 PolarHBondContact O-N 2.75Å; P69-S71 VanDerWaalsContact O-N 3.16Å
72H96.9Very high96.2Very high42 Ų4222.1 Ų22.119%0.19412%0.121CC..G310 helixtrans-113.95.8178.4-77.7-143000113.2N36 W37 A38 I68 P69 D70N36-H72 PolarHBondContact O-ND1 3.46Å; W37-H72 CarbonylContact C-O 3.59Å; W37-H72 VanDerWaalsContact CA-O 3.32Å; W37-H72 WeakPolarHBondContact CA-O 3.47Å; W37-H72 HydrophobicContact CD2-CB 4.2Å; W37-H72 AromaticContact CE2-CG 3.98Å; W37-H72 AromaticContact CE2-ND1 3.88Å; W37-H72 VanDerWaalsContact CE3-CA 3.48Å; W37-H72 HydrophobicContact CE3-CB 4.16Å; W37-H72 AromaticContact CH2-CD2 3.92Å; W37-H72 AromaticContact CZ2-CD2 3.79Å; W37-H72 AromaticContact CZ2-NE2 3.83Å; W37-H72 HydrophobicContact CZ3-CB 4.44Å; W37-H72 AromaticContact NE1-ND1 3.91Å; A38-H72 PolarHBondContact N-O 2.96Å; I68-H72 HydrophobicContact CG2-CB 3.75Å; P69-H72 HydrophobicContact CG-CB 4.22Å; P69-H72 WeakPolarHBondContact O-CA 3.26Å; P69-H72 WeakPolarHBondContact O-CB 3.44Å; P69-H72 PolarHBondContact O-N 3.38Å; D70-H72 PolarHBondContact O-N 3.38Å
73I98.3Very high96.1Very high3 Ų326.7 Ų26.72%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-117.7122.2178.6-53.6170000107.8A38 L40 Y60 V63 K64 I68 D70A38-I73 HydrophobicContact CB-CG1 4.3Å; A38-I73 HydrophobicContact CB-CG2 4.21Å; A38-I73 CarbonylContact O-C 3.45Å; A38-I73 WeakPolarHBondContact O-CA 3.36Å; L40-I73 HydrophobicContact CD1-CG2 3.96Å; L40-I73 HydrophobicContact CG-CG2 4.3Å; Y60-I73 HydrophobicContact CD2-CB 4.48Å; Y60-I73 HydrophobicContact CD2-CD1 4.28Å; Y60-I73 HydrophobicContact CD2-CG2 3.55Å; Y60-I73 HydrophobicContact CE2-CB 4.19Å; Y60-I73 HydrophobicContact CE2-CD1 4.04Å; Y60-I73 HydrophobicContact CE2-CG2 3.68Å; V63-I73 HydrophobicContact CG1-CD1 3.72Å; V63-I73 HydrophobicContact CG1-CG1 4.02Å; K64-I73 HydrophobicContact CG-CD1 3.64Å; I68-I73 HydrophobicContact CG2-CD1 4.27Å; I68-I73 HydrophobicContact CG2-CG1 3.78Å; D70-I73 PolarHBondContact O-N 3.49Å; D70-I73 VanDerWaalsContact O-O 3.05Å
74V98.6Very high96Very high1 Ų128 Ų281%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-101.5109.4169.5-177.70000108.3A38 V39 L40 M76 D111 Y112 V125A38-V74 PolarHBondContact O-N 3.11Å; V39-V74 WeakPolarHBondContact CA-O 3.42Å; V39-V74 HydrophobicContact CG2-CB 4.5Å; L40-V74 PolarHBondContact N-O 3.24Å; V74-M76 HydrophobicContact CG1-CG 4.38Å; V74-D111 WeakPolarHBondContact CA-OD2 3.37Å; V74-D111 HydrophobicContact CG1-CB 4.36Å; V74-Y112 HydrophobicContact CG1-CD2 4.08Å; V74-Y112 HydrophobicContact CG1-CE2 3.93Å; V74-V125 HydrophobicContact CG1-CG1 4.2Å; V74-V125 HydrophobicContact CG2-CG1 4.45Å
75L98.6Very high96Very high0 Ų033.3 Ų33.30%018%0.184CC..EExtended strand (participates in β ladder)trans-104.6122.1179.8-179.462.9000111.4L40 L57 Y60 L77 V108 V110 D111 Y112L40-L75 HydrophobicContact CB-CD1 3.84Å; L40-L75 WeakPolarHBondContact O-CA 3.23Å; L57-L75 HydrophobicContact CD2-CD2 4.2Å; Y60-L75 HydrophobicContact CD2-CB 4.25Å; Y60-L75 HydrophobicContact CD2-CD2 3.88Å; Y60-L75 HydrophobicContact CD2-CG 4.44Å; Y60-L75 HydrophobicContact CE2-CB 4.4Å; Y60-L75 HydrophobicContact CE2-CD2 4.15Å; Y60-L75 HydrophobicContact CG-CD2 4.25Å; L75-L77 HydrophobicContact CD1-CD2 3.96Å; L75-L77 HydrophobicContact CD1-CG 4.26Å; L75-L77 HydrophobicContact CD2-CD1 4.33Å; L75-L77 HydrophobicContact CD2-CG 4.43Å; L75-L77 HydrophobicContact CG-CD2 4.39Å; L75-L77 HydrophobicContact CG-CG 4.15Å; L75-V108 HydrophobicContact CD2-CG1 3.56Å; L75-V110 HydrophobicContact CD2-CB 4.5Å; L75-V110 HydrophobicContact CD2-CG2 3.99Å; L75-D111 PolarHBondContact N-OD2 2.87Å; L75-D111 PolarHBondContact O-N 3.11Å; L75-Y112 PolarHBondContact O-N 3Å; L75-Y112 VanDerWaalsContact O-N 3.11Å
76M98.6Very high96Very high0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-117.3116177.8-50.1-173.981.800110.3L40 V41 C42 V74 Y112 V117 N121 F122L40-M76 PolarHBondContact O-N 2.96Å; V41-M76 WeakPolarHBondContact CA-O 3.43Å; V41-M76 HydrophobicContact CB-CB 4.36Å; V41-M76 HydrophobicContact CG1-CB 4Å; V41-M76 HydrophobicContact CG1-SD 4.35Å; V41-M76 HydrophobicContact CG2-CB 4.22Å; V41-M76 HydrophobicContact CG2-CG 4.17Å; V41-M76 HydrophobicContact CG2-SD 3.94Å; C42-M76 PolarHBondContact N-O 2.62Å; V74-M76 HydrophobicContact CG1-CG 4.38Å; M76-Y112 WeakPolarHBondContact CA-O 3.44Å; M76-Y112 HydrophobicContact CE-CD1 3.74Å; M76-Y112 HydrophobicContact CE-CD2 3.89Å; M76-Y112 HydrophobicContact CE-CE1 4.38Å; M76-Y112 HydrophobicContact CE-CG 3.48Å; M76-Y112 VanDerWaalsContact CE-CG 3.48Å; M76-Y112 HydrophobicContact CG-CD2 3.87Å; M76-Y112 HydrophobicContact CG-CG 4.1Å; M76-Y112 HydrophobicContact SD-CD2 4.41Å; M76-V117 HydrophobicContact CB-CG1 4.01Å; M76-V117 HydrophobicContact CB-CG2 4.01Å; M76-V117 HydrophobicContact CE-CG1 4.47Å; M76-N121 HydrophobicContact CE-CB 4.26Å; M76-F122 HydrophobicContact CE-CB 4.37Å; M76-F122 HydrophobicContact SD-CB 4.19Å; M76-F122 HydrophobicContact SD-CD2 4Å
77L98.2Very high96Very high7 Ų735.8 Ų35.84%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-119.1111.9177.9-60.1-179.2000110.7C42 V53 L57 L75 D79 V110 Y112 G114 V117C42-L77 HydrophobicContact CB-CD2 3.82Å; V53-L77 HydrophobicContact CG1-CD1 4.32Å; V53-L77 HydrophobicContact CG1-CD2 4.4Å; L57-L77 HydrophobicContact CD2-CD1 3.97Å; L57-L77 HydrophobicContact CG-CD1 4.34Å; L75-L77 HydrophobicContact CD1-CD2 3.96Å; L75-L77 HydrophobicContact CD1-CG 4.26Å; L75-L77 HydrophobicContact CD2-CD1 4.33Å; L75-L77 HydrophobicContact CD2-CG 4.43Å; L75-L77 HydrophobicContact CG-CD2 4.39Å; L75-L77 HydrophobicContact CG-CG 4.15Å; L77-D79 PolarHBondContact O-N 3.1Å; L77-V110 HydrophobicContact CB-CG1 4Å; L77-V110 HydrophobicContact CD1-CG1 4.01Å; L77-V110 HydrophobicContact CD1-CG2 3.68Å; L77-V110 HydrophobicContact CG-CG1 3.91Å; L77-V110 HydrophobicContact CG-CG2 4.43Å; L77-Y112 PolarHBondContact N-O 3.31Å; L77-G114 PolarHBondContact O-N 2.94Å; L77-V117 VanDerWaalsContact C-CG2 3.5Å; L77-V117 WeakPolarHBondContact O-CG2 3.41Å
78A96.9Very high96Very high1 Ų138.3 Ų38.31%0.00821%0.206CC..SBendtrans-69.3-11.6-176.700000114.7C42 S44 R45 G114 V117 Q164C42-A78 VanDerWaalsContact O-CB 3.24Å; C42-A78 WeakPolarHBondContact O-CB 3.41Å; C42-A78 PolarHBondContact O-N 2.64Å; C42-A78 VanDerWaalsContact O-N 3.12Å; S44-A78 WeakPolarHBondContact O-CB 3.18Å; R45-A78 PolarHBondContact NE-O 3.2Å; R45-A78 PolarHBondContact NH2-O 3.01Å; A78-G114 WeakPolarHBondContact O-CA 2.96Å; A78-V117 HydrophobicContact CB-CB 4.06Å; A78-V117 HydrophobicContact CB-CG1 4.06Å; A78-V117 HydrophobicContact CB-CG2 4.5Å; A78-Q164 HydrophobicContact CB-CG 4.18Å
79D95.4Very high95.8Very high42 Ų4242.5 Ų42.523%0.22522%0.224CC..SBendtrans-156.1159.9175.2-161.61.8000110.4R45 F46 L77 M81R45-D79 HydrophobicContact CB-CB 3.78Å; F46-D79 WeakPolarHBondContact CA-OD2 3.45Å; F46-D79 PolarHBondContact N-OD2 2.92Å; L77-D79 PolarHBondContact O-N 3.1Å; D79-M81 HydrophobicContact CB-CE 3.71Å; D79-M81 WeakPolarHBondContact OD2-CE 3.41Å
80D94.6Very high95.7Very high55 Ų5545 Ų4529%0.29424%0.24SC..  trans-113.6103-178-176.4-12.3000110.4A82 C83 N84D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 WeakPolarHBondContact OD1-CA 3.48Å; D80-A82 VanDerWaalsContact OD1-CB 3.29Å; D80-A82 WeakPolarHBondContact OD1-CB 3.35Å; D80-A82 PolarHBondContact OD1-N 2.95Å; D80-C83 HydrophobicContact CB-CB 4.49Å; D80-C83 PolarHBondContact OD1-N 3.15Å; D80-C83 VanDerWaalsContact OD1-N 3.07Å; D80-C83 WeakPolarHBondContact OD2-CB 3.14Å; D80-C83 PolarHBondContact OD2-SG 3.37Å; D80-N84 PolarHBondContact O-N 3.18Å
81M95.8Very high95.5Very high1 Ų146.2 Ų46.21%0.00526%0.255CS..SBendtrans-74.5-25.4178.4-60.3-57.7142.100112.7W47 Y50 V53 D79 N84 N87 V93W47-M81 HydrophobicContact CE3-SD 3.68Å; W47-M81 HydrophobicContact CZ3-CB 4.21Å; W47-M81 HydrophobicContact CZ3-SD 4.01Å; Y50-M81 HydrophobicContact CD2-CB 3.7Å; Y50-M81 HydrophobicContact CD2-CG 3.77Å; Y50-M81 HydrophobicContact CD2-SD 4.04Å; Y50-M81 HydrophobicContact CE2-CB 3.8Å; Y50-M81 HydrophobicContact CE2-CG 4.35Å; Y50-M81 HydrophobicContact CG-CG 4.23Å; Y50-M81 HydrophobicContact CG-SD 4.5Å; V53-M81 HydrophobicContact CB-CG 3.73Å; V53-M81 HydrophobicContact CG1-CB 4.34Å; V53-M81 HydrophobicContact CG1-CG 3.96Å; V53-M81 HydrophobicContact CG2-CE 3.87Å; V53-M81 HydrophobicContact CG2-CG 3.86Å; D79-M81 HydrophobicContact CB-CE 3.71Å; D79-M81 WeakPolarHBondContact OD2-CE 3.41Å; M81-N84 PolarHBondContact O-N 3.16Å; M81-N87 PolarHBondContact O-ND2 3.23Å; M81-V93 HydrophobicContact CB-CG2 4Å
82A94.6Very high95.5Very high1 Ų144.4 Ų44.41%0.00824%0.242CC..SBendtrans-69.7-37.3-179.500000111D80 A91 V93 Y104D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 WeakPolarHBondContact OD1-CA 3.48Å; D80-A82 VanDerWaalsContact OD1-CB 3.29Å; D80-A82 WeakPolarHBondContact OD1-CB 3.35Å; D80-A82 PolarHBondContact OD1-N 2.95Å; A82-A91 PolarHBondContact O-N 2.74Å; A82-V93 HydrophobicContact CB-CG2 3.99Å; A82-Y104 HydrophobicContact CB-CD1 3.59Å; A82-Y104 HydrophobicContact CB-CD2 3.98Å; A82-Y104 HydrophobicContact CB-CE1 3.66Å; A82-Y104 HydrophobicContact CB-CE2 4.04Å; A82-Y104 HydrophobicContact CB-CG 3.76Å
83C94.1Very high95.4Very high96 Ų9642.4 Ų42.465%0.64923%0.232SC*.SBendtrans-93.22.5178.1-62.30000114.3D80D80-C83 HydrophobicContact CB-CB 4.49Å; D80-C83 PolarHBondContact OD1-N 3.15Å; D80-C83 VanDerWaalsContact OD1-N 3.07Å; D80-C83 WeakPolarHBondContact OD2-CB 3.14Å; D80-C83 PolarHBondContact OD2-SG 3.37Å
84N95.3Very high95.3Very high26 Ų2642.9 Ų42.914%0.13924%0.235CC..  trans-70.5134.5-177.4-162-67.8000111.6W47 D80 M81 R86 N87W47-N84 HydrophobicContact CE3-CB 3.66Å; W47-N84 VanDerWaalsContact CE3-CG 3.49Å; W47-N84 HydrophobicContact CZ3-CB 3.66Å; D80-N84 PolarHBondContact O-N 3.18Å; M81-N84 PolarHBondContact O-N 3.16Å; N84-R86 PolarHBondContact O-N 3.15Å; N84-R86 VanDerWaalsContact O-N 3.08Å; N84-R86 WeakPolarHBondContact OD1-CB 3.36Å; N84-R86 PolarHBondContact OD1-N 2.79Å; N84-N87 WeakPolarHBondContact O-CB 3.43Å; N84-N87 PolarHBondContact O-N 2.82Å
85H94.4Very high94.8Very high152 Ų15243.5 Ų43.570%0.70424%0.239SC*.THydrogen-bonded Turntrans-63.4-17.4179.674.475.4000114.3N87H85-N87 VanDerWaalsContact C-N 3.33Å
86R95Very high94.2Very high140 Ų14046.8 Ų46.853%0.52825%0.254SS..THydrogen-bonded Turntrans-83.6-11.4174.9-65.4-177.1173.572.44112.6W47 N84 P88W47-R86 HydrophobicContact CD2-CB 3.64Å; W47-R86 HydrophobicContact CE3-CB 4.2Å; W47-R86 HydrophobicContact CG-CB 3.82Å; W47-R86 HydrophobicContact CG-CG 4.27Å; W47-R86 HydrophobicContact CZ2-CB 4.12Å; N84-R86 PolarHBondContact O-N 3.15Å; N84-R86 VanDerWaalsContact O-N 3.08Å; N84-R86 WeakPolarHBondContact OD1-CB 3.36Å; N84-R86 PolarHBondContact OD1-N 2.79Å; R86-P88 VanDerWaalsContact O-CD 3.23Å; R86-P88 WeakPolarHBondContact O-CD 3.07Å
87N95.1Very high93.4Very high10 Ų1051 Ų515%0.05327%0.272CS..  trans-72.5114-178.6-168.4-13.3000110.2W47 M81 N84 H85 K89 T92W47-N87 HydrophobicContact CH2-CB 3.47Å; W47-N87 VanDerWaalsContact CH2-CB 3.47Å; W47-N87 HydrophobicContact CZ2-CB 4.4Å; W47-N87 HydrophobicContact CZ3-CB 3.84Å; M81-N87 PolarHBondContact O-ND2 3.23Å; N84-N87 WeakPolarHBondContact O-CB 3.43Å; N84-N87 PolarHBondContact O-N 2.82Å; H85-N87 VanDerWaalsContact C-N 3.33Å; N87-K89 VanDerWaalsContact CG-O 3.26Å; N87-K89 PolarHBondContact ND2-O 3.16Å; N87-K89 PolarHBondContact O-N 3.08Å; N87-K89 PolarHBondContact OD1-N 3.18Å; N87-K89 PolarHBondContact OD1-O 2.73Å; N87-K89 VanDerWaalsContact OD1-O 3.07Å; N87-T92 PolarHBondContact ND2-O 3.43Å
88P92.9Very high92.6Very high72 Ų7255.4 Ų55.447%0.46830%0.296SS..SBendtrans-68.3-14.8178.530.1-36.3000112.6R86 I232R86-P88 VanDerWaalsContact O-CD 3.23Å; R86-P88 WeakPolarHBondContact O-CD 3.07Å; P88-I232 HydrophobicContact CG-CG1 4.03Å
89K91.8Very high92Very high91 Ų9157 Ų5740%0.39630%0.303SS..SBendtrans-124.686.1178.1-65.6-177.6173.4-174.20109.7N87 T92 F94 M99N87-K89 VanDerWaalsContact CG-O 3.26Å; N87-K89 PolarHBondContact ND2-O 3.16Å; N87-K89 PolarHBondContact O-N 3.08Å; N87-K89 PolarHBondContact OD1-N 3.18Å; N87-K89 PolarHBondContact OD1-O 2.73Å; N87-K89 VanDerWaalsContact OD1-O 3.07Å; K89-T92 WeakPolarHBondContact CB-OG1 3.41Å; K89-T92 PolarHBondContact O-N 3.12Å; K89-T92 PolarHBondContact O-OG1 3.39Å; K89-F94 HydrophobicContact CB-CE2 4.21Å; K89-F94 HydrophobicContact CD-CD2 4.41Å; K89-F94 HydrophobicContact CD-CE2 3.49Å; K89-F94 VanDerWaalsContact CD-CE2 3.49Å; K89-F94 HydrophobicContact CD-CZ 4.05Å; K89-M99 HydrophobicContact CD-SD 4Å; K89-M99 PolarHBondContact NZ-SD 3.07Å
90P92.2Very high91.4Very high103 Ų10362.6 Ų62.667%0.66933%0.328SS*.THydrogen-bonded Turntrans-54.2148.5-177.9-25.834.5000112.9T92P90-T92 PolarHBondContact O-N 3.46Å
91A93.2Very high91Very high62 Ų6263 Ų6351%0.51233%0.33SS..THydrogen-bonded Turntrans61.617.418000000115A82A82-A91 PolarHBondContact O-N 2.74Å
92T94.7Very high90.8Very high27 Ų2765.3 Ų65.317%0.16634%0.343CS..  trans-131.1146.3179690000112.6N87 K89 P90 F94 N102N87-T92 PolarHBondContact ND2-O 3.43Å; K89-T92 WeakPolarHBondContact CB-OG1 3.41Å; K89-T92 PolarHBondContact O-N 3.12Å; K89-T92 PolarHBondContact O-OG1 3.39Å; P90-T92 PolarHBondContact O-N 3.46Å; T92-F94 HydrophobicContact CG2-CZ 4.31Å; T92-F94 WeakPolarHBondContact OG1-CE2 3.23Å; T92-N102 WeakPolarHBondContact CA-OD1 3.47Å
93V95.9Very high90.8Very high0 Ų065.5 Ų65.50%034%0.344CS..  trans-131.1133.7169.8-177.90000108.3Y50 A54 L57 M81 A82 N102 V103 Y104Y50-V93 HydrophobicContact CE1-CG1 3.95Å; Y50-V93 HydrophobicContact CE2-CG1 4.43Å; Y50-V93 VanDerWaalsContact OH-CA 3.27Å; Y50-V93 WeakPolarHBondContact OH-CA 3.5Å; A54-V93 HydrophobicContact CB-CG1 3.83Å; L57-V93 HydrophobicContact CD1-CB 3.99Å; L57-V93 HydrophobicContact CD1-CG1 3.98Å; L57-V93 HydrophobicContact CD1-CG2 4.08Å; M81-V93 HydrophobicContact CB-CG2 4Å; A82-V93 HydrophobicContact CB-CG2 3.99Å; V93-N102 PolarHBondContact N-OD1 3.23Å; V93-N102 CarbonylContact O-C 3.55Å; V93-N102 WeakPolarHBondContact O-CA 3.46Å; V93-N102 PolarHBondContact O-OD1 2.98Å; V93-N102 VanDerWaalsContact O-OD1 3.13Å; V93-V103 HydrophobicContact CB-CG2 4.02Å; V93-V103 HydrophobicContact CG1-CG2 3.85Å; V93-V103 WeakPolarHBondContact O-CG2 3.36Å; V93-V103 PolarHBondContact O-N 2.88Å; V93-Y104 HydrophobicContact CG2-CD2 4.42Å; V93-Y104 HydrophobicContact CG2-CG 4.35Å
94F94.5Very high90.7Very high14 Ų1463.7 Ų63.76%0.06132%0.324CS..BIsolated β-bridgetrans-121.8133.9-178-61.9-76.9000110.1Y50 K89 T92 M99 L101 N102Y50-F94 WeakPolarHBondContact CE1-O 3.43Å; Y50-F94 PolarHBondContact OH-N 3.41Å; K89-F94 HydrophobicContact CB-CE2 4.21Å; K89-F94 HydrophobicContact CD-CD2 4.41Å; K89-F94 HydrophobicContact CD-CE2 3.49Å; K89-F94 VanDerWaalsContact CD-CE2 3.49Å; K89-F94 HydrophobicContact CD-CZ 4.05Å; T92-F94 HydrophobicContact CG2-CZ 4.31Å; T92-F94 WeakPolarHBondContact OG1-CE2 3.23Å; F94-M99 HydrophobicContact CB-CB 4.44Å; F94-M99 HydrophobicContact CB-CG 4.11Å; F94-M99 VanDerWaalsContact CD1-CA 3.47Å; F94-M99 HydrophobicContact CD1-CB 3.6Å; F94-M99 HydrophobicContact CD1-CG 4.15Å; F94-M99 HydrophobicContact CD2-CB 4.17Å; F94-M99 HydrophobicContact CD2-CG 4Å; F94-M99 HydrophobicContact CD2-SD 4.06Å; F94-M99 HydrophobicContact CE1-CB 3.81Å; F94-M99 WeakPolarHBondContact CE1-O 3.15Å; F94-M99 HydrophobicContact CE2-CB 4.35Å; F94-M99 HydrophobicContact CE2-CG 4.5Å; F94-M99 HydrophobicContact CE2-SD 4.29Å; F94-M99 HydrophobicContact CG-CB 3.8Å; F94-M99 HydrophobicContact CG-CG 3.81Å; F94-M99 HydrophobicContact CG-SD 4.49Å; F94-M99 HydrophobicContact CZ-CB 4.19Å; F94-L101 VanDerWaalsContact CD1-O 3.24Å; F94-L101 WeakPolarHBondContact CD1-O 3.34Å; F94-N102 HydrophobicContact CE1-CB 4.2Å
95S88.3Confident90.1Very high13 Ų1363.9 Ų63.99%0.09133%0.331CS..SBendtrans-95.9-10175.3540000113.4S58 M237S58-S95 WeakPolarHBondContact OG-CB 3.46Å; S58-S95 PolarHBondContact OG-OG 2.91Å; S95-M237 VanDerWaalsContact O-CE 3.3Å; S95-M237 WeakPolarHBondContact O-CE 3.26Å
96H87.6Confident89.3Confident70 Ų7065.2 Ų65.232%0.32434%0.344SS..SBendtrans-128.4145.3-178.3-162.1-91.3000111.9N98 M99 F242H96-N98 PolarHBondContact ND1-N 3.06Å; H96-N98 PolarHBondContact O-N 3.49Å; H96-M99 PolarHBondContact O-N 2.94Å; H96-F242 AromaticContact CD2-CE2 3.84Å
97K80.3Confident88.8Confident87 Ų8763.8 Ų63.838%0.37835%0.347SS..THydrogen-bonded Turntrans-59.6-30.9-179.2-74177.9-163.7-144.50114.3M99 Q227 P228 L236K97-M99 PolarHBondContact O-N 3.18Å; K97-Q227 VanDerWaalsContact CE-C 3.45Å; K97-Q227 VanDerWaalsContact CE-CA 3.42Å; K97-Q227 HydrophobicContact CG-CB 4.24Å; K97-P228 WeakPolarHBondContact CE-O 3.38Å; K97-P228 PolarHBondContact NZ-O 3.09Å; K97-L236 HydrophobicContact CG-CD1 4.5Å
98N83Confident88.8Confident101 Ų10165 Ų6554%0.5435%0.354SS..THydrogen-bonded Turntrans-68.9-13.9177.6-61.43.3000112.3H96 E100H96-N98 PolarHBondContact ND1-N 3.06Å; H96-N98 PolarHBondContact O-N 3.49Å; N98-E100 HydrophobicContact CB-CG 3.8Å; N98-E100 WeakPolarHBondContact CB-OE1 3.48Å; N98-E100 PolarHBondContact ND2-OE1 3.4Å; N98-E100 PolarHBondContact O-N 3.45Å
99M82.6Confident88.9Confident33 Ų3365.2 Ų65.216%0.16335%0.349CS..  trans52.530.1179.3-56.4-174.6-170.600113.7K89 F94 H96 K97 L101 D229 I232K89-M99 HydrophobicContact CD-SD 4Å; K89-M99 PolarHBondContact NZ-SD 3.07Å; F94-M99 HydrophobicContact CB-CB 4.44Å; F94-M99 HydrophobicContact CB-CG 4.11Å; F94-M99 VanDerWaalsContact CD1-CA 3.47Å; F94-M99 HydrophobicContact CD1-CB 3.6Å; F94-M99 HydrophobicContact CD1-CG 4.15Å; F94-M99 HydrophobicContact CD2-CB 4.17Å; F94-M99 HydrophobicContact CD2-CG 4Å; F94-M99 HydrophobicContact CD2-SD 4.06Å; F94-M99 HydrophobicContact CE1-CB 3.81Å; F94-M99 WeakPolarHBondContact CE1-O 3.15Å; F94-M99 HydrophobicContact CE2-CB 4.35Å; F94-M99 HydrophobicContact CE2-CG 4.5Å; F94-M99 HydrophobicContact CE2-SD 4.29Å; F94-M99 HydrophobicContact CG-CB 3.8Å; F94-M99 HydrophobicContact CG-CG 3.81Å; F94-M99 HydrophobicContact CG-SD 4.49Å; F94-M99 HydrophobicContact CZ-CB 4.19Å; H96-M99 PolarHBondContact O-N 2.94Å; K97-M99 PolarHBondContact O-N 3.18Å; M99-L101 PolarHBondContact O-N 3.23Å; M99-D229 VanDerWaalsContact CE-CG 3.46Å; M99-D229 WeakPolarHBondContact CE-OD2 3.31Å; M99-I232 HydrophobicContact CE-CD1 3.65Å; M99-I232 HydrophobicContact CE-CG1 3.97Å
100E82.8Confident89.1Confident160 Ų16061.3 Ų61.375%0.74833%0.333SS*.  trans-70.8-25-178-71.4168-155.200112N98N98-E100 HydrophobicContact CB-CG 3.8Å; N98-E100 WeakPolarHBondContact CB-OE1 3.48Å; N98-E100 PolarHBondContact ND2-OE1 3.4Å; N98-E100 PolarHBondContact O-N 3.45Å
101L86.3Confident89.3Confident64 Ų6456.7 Ų56.734%0.33530%0.303SS..  trans-131.9117.1-173.4177.876.8000111.4F94 M99 V103F94-L101 VanDerWaalsContact CD1-O 3.24Å; F94-L101 WeakPolarHBondContact CD1-O 3.34Å; M99-L101 PolarHBondContact O-N 3.23Å; L101-V103 HydrophobicContact CD2-CG1 3.97Å; L101-V103 HydrophobicContact CG-CG1 4.31Å; L101-V103 PolarHBondContact O-N 2.99Å
102N93Very high89.6Confident50 Ų5054 Ų5427%0.26728%0.279SS..BIsolated β-bridgetrans-76.8111.6166.7179.715.2000109.5T92 V93 F94 Y104 G105T92-N102 WeakPolarHBondContact CA-OD1 3.47Å; V93-N102 PolarHBondContact N-OD1 3.23Å; V93-N102 CarbonylContact O-C 3.55Å; V93-N102 WeakPolarHBondContact O-CA 3.46Å; V93-N102 PolarHBondContact O-OD1 2.98Å; V93-N102 VanDerWaalsContact O-OD1 3.13Å; F94-N102 HydrophobicContact CE1-CB 4.2Å; N102-Y104 VanDerWaalsContact C-N 3.34Å; N102-Y104 WeakPolarHBondContact OD1-CB 3.41Å; N102-Y104 PolarHBondContact OD1-N 2.76Å; N102-Y104 VanDerWaalsContact OD1-N 3.08Å; N102-G105 PolarHBondContact ND2-N 2.79Å; N102-G105 PolarHBondContact OD1-N 3.43Å
103V93.3Very high89.6Confident5 Ų560.2 Ų60.23%0.0330%0.3CS..SBendtrans-82.7-11179.1-61.60000113.4L57 V93 L101L57-V103 HydrophobicContact CB-CB 4.07Å; L57-V103 HydrophobicContact CB-CG2 3.76Å; L57-V103 HydrophobicContact CD1-CG2 4.21Å; V93-V103 HydrophobicContact CB-CG2 4.02Å; V93-V103 HydrophobicContact CG1-CG2 3.85Å; V93-V103 WeakPolarHBondContact O-CG2 3.36Å; V93-V103 PolarHBondContact O-N 2.88Å; L101-V103 HydrophobicContact CD2-CG1 3.97Å; L101-V103 HydrophobicContact CG-CG1 4.31Å; L101-V103 PolarHBondContact O-N 2.99Å
104Y92.6Very high89.6Confident58 Ų5861.3 Ų61.323%0.22731%0.311CS..SBendtrans-79.7-46.7171.6-169.5-107.6000111.2L57 A82 V93 N102 V108L57-Y104 HydrophobicContact CD1-CD2 4Å; L57-Y104 HydrophobicContact CD2-CD2 4.38Å; A82-Y104 HydrophobicContact CB-CD1 3.59Å; A82-Y104 HydrophobicContact CB-CD2 3.98Å; A82-Y104 HydrophobicContact CB-CE1 3.66Å; A82-Y104 HydrophobicContact CB-CE2 4.04Å; A82-Y104 HydrophobicContact CB-CG 3.76Å; V93-Y104 HydrophobicContact CG2-CD2 4.42Å; V93-Y104 HydrophobicContact CG2-CG 4.35Å; N102-Y104 VanDerWaalsContact C-N 3.34Å; N102-Y104 WeakPolarHBondContact OD1-CB 3.41Å; N102-Y104 PolarHBondContact OD1-N 2.76Å; N102-Y104 VanDerWaalsContact OD1-N 3.08Å; Y104-V108 VanDerWaalsContact O-CB 3.32Å; Y104-V108 WeakPolarHBondContact O-CB 3.49Å; Y104-V108 WeakPolarHBondContact O-CG2 3.19Å
105G82.4Confident89.7Confident29 Ų2969.8 Ų69.830%0.29934%0.344SS..  trans50.6-164174.100000115.1N102N102-G105 PolarHBondContact ND2-N 2.79Å; N102-G105 PolarHBondContact OD1-N 3.43Å
106D78.5Confident90.1Very high181 Ų18172.8 Ų72.897%0.96836%0.357SS*.SBendtrans-100.5-5.8175-62.3-37.3000112.6
107D84.8Confident90.6Very high110 Ų11069.5 Ų69.559%0.58834%0.341SS*.  trans-113.918.3-166.3-171.834.7000112.4Y60 K64Y60-D107 PolarHBondContact OH-O 2.71Å; K64-D107 WeakPolarHBondContact CE-OD2 3.33Å; K64-D107 PolarHBondContact NZ-O 2.67Å; K64-D107 IonicContact NZ-OD1 3.49Å; K64-D107 PolarHBondContact NZ-OD1 3.26Å; K64-D107 IonicContact NZ-OD2 3.79Å; K64-D107 PolarHBondContact NZ-OD2 3.08Å
108V93.6Very high91.4Very high35 Ų3566.6 Ų66.621%0.21233%0.331CS..  trans-98119177.4173.20000110.4L57 Y60 L75 Y104 V110L57-V108 HydrophobicContact CD2-CB 4.45Å; L57-V108 HydrophobicContact CD2-CG1 3.62Å; L57-V108 HydrophobicContact CD2-CG2 4.1Å; Y60-V108 HydrophobicContact CD1-CG2 3.92Å; Y60-V108 HydrophobicContact CE1-CB 4.07Å; Y60-V108 HydrophobicContact CE1-CG1 4.14Å; Y60-V108 HydrophobicContact CE1-CG2 3.64Å; L75-V108 HydrophobicContact CD2-CG1 3.56Å; Y104-V108 VanDerWaalsContact O-CB 3.32Å; Y104-V108 WeakPolarHBondContact O-CB 3.49Å; Y104-V108 WeakPolarHBondContact O-CG2 3.19Å; V108-V110 HydrophobicContact CG1-CG2 3.82Å
109E94.8Very high92.1Very high76 Ų7662.4 Ų62.436%0.35531%0.309SS..  trans-95105.7170.1-170.4170.8176.400109.7Y60 D70 S137Y60-E109 PolarHBondContact OH-N 2.92Å; D70-E109 HydrophobicContact CB-CB 4.47Å; E109-S137 WeakPolarHBondContact OE1-CB 3.17Å
110V96.8Very high92.8Very high10 Ų1065.8 Ų65.86%0.06132%0.324CS..  trans-92112.6173.1-170.50000109.6L75 L77 V108 R113L75-V110 HydrophobicContact CD2-CB 4.5Å; L75-V110 HydrophobicContact CD2-CG2 3.99Å; L77-V110 HydrophobicContact CB-CG1 4Å; L77-V110 HydrophobicContact CD1-CG1 4.01Å; L77-V110 HydrophobicContact CD1-CG2 3.68Å; L77-V110 HydrophobicContact CG-CG1 3.91Å; L77-V110 HydrophobicContact CG-CG2 4.43Å; V108-V110 HydrophobicContact CG1-CG2 3.82Å; V110-R113 HydrophobicContact CB-CG 3.98Å; V110-R113 HydrophobicContact CG1-CG 3.51Å; V110-R113 VanDerWaalsContact O-CZ 3.3Å; V110-R113 PolarHBondContact O-NE 3.16Å; V110-R113 PolarHBondContact O-NH2 3.47Å
111D97.6Very high93.5Very high6 Ų659.9 Ų59.93%0.03230%0.298CS..SBendtrans-78.5-43.1-177-62.3-70.5000113.6V74 L75 S137 K138V74-D111 WeakPolarHBondContact CA-OD2 3.37Å; V74-D111 HydrophobicContact CG1-CB 4.36Å; L75-D111 PolarHBondContact N-OD2 2.87Å; L75-D111 PolarHBondContact O-N 3.11Å; D111-S137 WeakPolarHBondContact OD1-CB 3.3Å; D111-K138 HydrophobicContact CB-CG 4.33Å; D111-K138 WeakPolarHBondContact O-CE 3.4Å; D111-K138 PolarHBondContact O-NZ 3.47Å
112Y98Very high94.1Very high6 Ų656.9 Ų56.92%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-121.3119.3178.8-65.6-101.6000109.3V74 L75 M76 L77 E116 V117 N121 V125 K138V74-Y112 HydrophobicContact CG1-CD2 4.08Å; V74-Y112 HydrophobicContact CG1-CE2 3.93Å; L75-Y112 PolarHBondContact O-N 3Å; L75-Y112 VanDerWaalsContact O-N 3.11Å; M76-Y112 WeakPolarHBondContact CA-O 3.44Å; M76-Y112 HydrophobicContact CE-CD1 3.74Å; M76-Y112 HydrophobicContact CE-CD2 3.89Å; M76-Y112 HydrophobicContact CE-CE1 4.38Å; M76-Y112 HydrophobicContact CE-CG 3.48Å; M76-Y112 VanDerWaalsContact CE-CG 3.48Å; M76-Y112 HydrophobicContact CG-CD2 3.87Å; M76-Y112 HydrophobicContact CG-CG 4.1Å; M76-Y112 HydrophobicContact SD-CD2 4.41Å; L77-Y112 PolarHBondContact N-O 3.31Å; Y112-E116 HydrophobicContact CD1-CB 4.04Å; Y112-V117 WeakPolarHBondContact O-CG2 3.38Å; Y112-N121 HydrophobicContact CD1-CB 4.27Å; Y112-N121 HydrophobicContact CE1-CB 4.08Å; Y112-V125 HydrophobicContact CE1-CG2 4.45Å; Y112-V125 HydrophobicContact CE2-CG2 3.74Å; Y112-V125 WeakPolarHBondContact OH-CG2 3.49Å; Y112-K138 HydrophobicContact CE1-CD 4.44Å; Y112-K138 HydrophobicContact CE2-CB 3.94Å; Y112-K138 HydrophobicContact CE2-CG 4.26Å; Y112-K138 PolarHBondContact OH-O 2.99Å
113R95.9Very high94.4Very high157 Ų15756.2 Ų56.259%0.59228%0.279SS*.EExtended strand (participates in β ladder)trans-116.9137.9-172.6-63.7174.6-165164.71.7111.4V110 Y115 E116V110-R113 HydrophobicContact CB-CG 3.98Å; V110-R113 HydrophobicContact CG1-CG 3.51Å; V110-R113 VanDerWaalsContact O-CZ 3.3Å; V110-R113 PolarHBondContact O-NE 3.16Å; V110-R113 PolarHBondContact O-NH2 3.47Å; R113-Y115 PolarHBondContact O-N 2.88Å; R113-Y115 VanDerWaalsContact O-N 3.07Å; R113-E116 PolarHBondContact N-OE2 3.27Å; R113-E116 PolarHBondContact O-N 3.13Å
114G95.9Very high94.6Very high23 Ų2360.4 Ų60.424%0.23729%0.294CS..G310 helixtrans56.5-115.9168.700000111.9R45 L77 A78 E116 V117 Q164R45-G114 PolarHBondContact NH2-O 3.14Å; L77-G114 PolarHBondContact O-N 2.94Å; A78-G114 WeakPolarHBondContact O-CA 2.96Å; G114-E116 PolarHBondContact O-N 3.36Å; G114-V117 PolarHBondContact O-N 3.27Å; G114-Q164 PolarHBondContact O-NE2 2.75Å
115Y95.7Very high94.9Very high191 Ų19157.6 Ų57.675%0.74928%0.283SS*.G310 helixtrans-64.8-18.7-179-64-66.5000114.6R113 V117 T118 Q164R113-Y115 PolarHBondContact O-N 2.88Å; R113-Y115 VanDerWaalsContact O-N 3.07Å; Y115-V117 PolarHBondContact O-N 3.39Å; Y115-T118 WeakPolarHBondContact O-CG2 3.38Å; Y115-Q164 PolarHBondContact O-NE2 2.69Å
116E96.3Very high95.6Very high77 Ų7756.2 Ų56.236%0.3627%0.269SS..G310 helixtrans-72.8-14.6176.7-60.8-173.9102.400113Y112 R113 G114 T118 N121 K138Y112-E116 HydrophobicContact CD1-CB 4.04Å; R113-E116 PolarHBondContact N-OE2 3.27Å; R113-E116 PolarHBondContact O-N 3.13Å; G114-E116 PolarHBondContact O-N 3.36Å; E116-T118 VanDerWaalsContact C-N 3.28Å; E116-T118 PolarHBondContact O-N 3.07Å; E116-N121 WeakPolarHBondContact O-CB 3.25Å; E116-N121 PolarHBondContact O-ND2 3.18Å; E116-K138 IonicContact OE1-NZ 3.05Å; E116-K138 PolarHBondContact OE1-NZ 3.27Å; E116-K138 IonicContact OE2-NZ 2.73Å; E116-K138 PolarHBondContact OE2-NZ 3.46Å
117V97.8Very high96.5Very high0 Ų048 Ų480%023%0.225CC..  trans-84.466.8-178.1-172.50000111V41 M76 L77 A78 Y112 G114 Y115 F163 Q164V41-V117 HydrophobicContact CG1-CG1 4.21Å; M76-V117 HydrophobicContact CB-CG1 4.01Å; M76-V117 HydrophobicContact CB-CG2 4.01Å; M76-V117 HydrophobicContact CE-CG1 4.47Å; L77-V117 VanDerWaalsContact C-CG2 3.5Å; L77-V117 WeakPolarHBondContact O-CG2 3.41Å; A78-V117 HydrophobicContact CB-CB 4.06Å; A78-V117 HydrophobicContact CB-CG1 4.06Å; A78-V117 HydrophobicContact CB-CG2 4.5Å; Y112-V117 WeakPolarHBondContact O-CG2 3.38Å; G114-V117 PolarHBondContact O-N 3.27Å; Y115-V117 PolarHBondContact O-N 3.39Å; V117-F163 HydrophobicContact CG1-CD1 4.35Å; V117-F163 HydrophobicContact CG1-CE1 4.3Å; V117-Q164 WeakPolarHBondContact O-CG 3.33Å; V117-Q164 PolarHBondContact O-NE2 2.88Å
118T97.7Very high97.1Very high26 Ų2644.2 Ų44.216%0.1621%0.212CC..  trans-100.5162.217964.10000111.3Y115 E116 E120 N121 F122Y115-T118 WeakPolarHBondContact O-CG2 3.38Å; E116-T118 VanDerWaalsContact C-N 3.28Å; E116-T118 PolarHBondContact O-N 3.07Å; T118-E120 PolarHBondContact O-N 3.27Å; T118-N121 PolarHBondContact O-N 2.93Å; T118-N121 PolarHBondContact OG1-N 2.81Å; T118-N121 VanDerWaalsContact OG1-N 3.11Å; T118-F122 PolarHBondContact O-N 3.26Å; T118-F122 VanDerWaalsContact O-N 3.09Å
119V98.1Very high97.2Very high13 Ų1349.3 Ų49.38%0.07923%0.227CC..Hα-helixtrans-57.7-43.1173175.40000110N121 F122 L123 F163 E167 I169V119-N121 PolarHBondContact O-N 2.7Å; V119-F122 PolarHBondContact O-N 3.16Å; V119-L123 HydrophobicContact CG1-CD1 3.82Å; V119-L123 HydrophobicContact CG1-CG 4.27Å; V119-L123 WeakPolarHBondContact O-CB 3.27Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.44Å; V119-L123 PolarHBondContact O-N 3.09Å; V119-F163 HydrophobicContact CG2-CB 3.78Å; V119-F163 HydrophobicContact CG2-CD1 4.16Å; V119-F163 HydrophobicContact CG2-CD2 3.87Å; V119-F163 HydrophobicContact CG2-CG 3.67Å; V119-E167 HydrophobicContact CG2-CB 3.87Å; V119-E167 PolarHBondContact N-OE2 3.33Å; V119-E167 VanDerWaalsContact N-OE2 3.08Å; V119-I169 HydrophobicContact CG1-CB 3.89Å; V119-I169 HydrophobicContact CG1-CD1 4.23Å; V119-I169 HydrophobicContact CG1-CG1 4.05Å; V119-I169 HydrophobicContact CG2-CB 4.05Å
120E97.5Very high97.2Very high105 Ų10546.9 Ų46.949%0.49122%0.217SC..Hα-helixtrans-59.1-49.7179.3178.5174.7-153.200112.7T118 F122 L123 R124T118-E120 PolarHBondContact O-N 3.27Å; E120-F122 PolarHBondContact O-N 2.64Å; E120-L123 PolarHBondContact O-N 3.18Å; E120-R124 HydrophobicContact CG-CG 4.39Å; E120-R124 WeakPolarHBondContact O-CB 3.46Å; E120-R124 VanDerWaalsContact O-CG 3.24Å; E120-R124 WeakPolarHBondContact O-CG 3.34Å; E120-R124 PolarHBondContact O-N 3.11Å; E120-R124 IonicContact OE1-CZ 3.02Å; E120-R124 IonicContact OE1-NE 3.83Å; E120-R124 PolarHBondContact OE1-NE 3.38Å; E120-R124 IonicContact OE1-NH1 2.95Å; E120-R124 IonicContact OE1-NH2 2.6Å; E120-R124 PolarHBondContact OE1-NH2 3.37Å
121N97.6Very high97.1Very high36 Ų3649.7 Ų49.719%0.19324%0.235CC..Hα-helixtrans-65.5-41.1-179-81.3-24.3000111.4M76 Y112 E116 T118 V119 R124 V125M76-N121 HydrophobicContact CE-CB 4.26Å; Y112-N121 HydrophobicContact CD1-CB 4.27Å; Y112-N121 HydrophobicContact CE1-CB 4.08Å; E116-N121 WeakPolarHBondContact O-CB 3.25Å; E116-N121 PolarHBondContact O-ND2 3.18Å; T118-N121 PolarHBondContact O-N 2.93Å; T118-N121 PolarHBondContact OG1-N 2.81Å; T118-N121 VanDerWaalsContact OG1-N 3.11Å; V119-N121 PolarHBondContact O-N 2.7Å; N121-R124 PolarHBondContact O-N 2.75Å; N121-V125 WeakPolarHBondContact O-CG2 3.32Å; N121-V125 PolarHBondContact O-N 3.28Å
122F98.4Very high96.9Very high0 Ų055.4 Ų55.40%028%0.275CS..Hα-helixtrans-58.1-50.3175.1175-119.5000111.6V39 V41 M76 T118 V119 E120 R124 V125 L126 I150 L152 F163 I169 L174V39-F122 HydrophobicContact CG1-CD2 4.46Å; V39-F122 HydrophobicContact CG1-CE2 3.98Å; V41-F122 HydrophobicContact CG2-CD2 3.86Å; V41-F122 HydrophobicContact CG2-CE2 3.75Å; M76-F122 HydrophobicContact CE-CB 4.37Å; M76-F122 HydrophobicContact SD-CB 4.19Å; M76-F122 HydrophobicContact SD-CD2 4Å; T118-F122 PolarHBondContact O-N 3.26Å; T118-F122 VanDerWaalsContact O-N 3.09Å; V119-F122 PolarHBondContact O-N 3.16Å; E120-F122 PolarHBondContact O-N 2.64Å; F122-R124 VanDerWaalsContact C-N 3.33Å; F122-R124 PolarHBondContact O-N 2.83Å; F122-V125 WeakPolarHBondContact O-CB 3.18Å; F122-V125 PolarHBondContact O-N 3.49Å; F122-L126 HydrophobicContact CD1-CD1 4.4Å; F122-L126 HydrophobicContact CD2-CG 4.47Å; F122-L126 HydrophobicContact CE1-CD1 3.82Å; F122-L126 HydrophobicContact CE2-CD1 3.99Å; F122-L126 HydrophobicContact CE2-CD2 4.22Å; F122-L126 HydrophobicContact CE2-CG 4.1Å; F122-L126 HydrophobicContact CZ-CD1 3.59Å; F122-L126 HydrophobicContact CZ-CD2 4.48Å; F122-L126 HydrophobicContact CZ-CG 4.21Å; F122-L126 WeakPolarHBondContact O-CG 3.47Å; F122-L126 PolarHBondContact O-N 3.09Å; F122-L126 VanDerWaalsContact O-N 3.11Å; F122-I150 HydrophobicContact CZ-CG2 4.38Å; F122-L152 HydrophobicContact CE1-CD1 4.41Å; F122-L152 HydrophobicContact CE1-CD2 4.48Å; F122-L152 HydrophobicContact CE2-CD2 4Å; F122-L152 HydrophobicContact CZ-CD1 4.21Å; F122-L152 HydrophobicContact CZ-CD2 3.74Å; F122-F163 HydrophobicContact CB-CE1 4.07Å; F122-F163 HydrophobicContact CB-CZ 4.25Å; F122-F163 AromaticContact CD1-CZ 3.95Å; F122-F163 HydrophobicContact CD1-CZ 3.95Å; F122-F163 HydrophobicContact CG-CE1 4.43Å; F122-F163 HydrophobicContact CG-CZ 4.15Å; F122-I169 HydrophobicContact CD1-CD1 3.96Å; F122-I169 HydrophobicContact CE1-CD1 4Å; F122-L174 HydrophobicContact CE1-CD1 3.99Å; F122-L174 HydrophobicContact CZ-CD1 4.4Å
123L98.4Very high96.8Very high37 Ų3759.9 Ų59.919%0.19431%0.308CS..Hα-helixtrans-62.9-36.4177.4-69.4178.1000112.9V119 E120 T127 I169 A177V119-L123 HydrophobicContact CG1-CD1 3.82Å; V119-L123 HydrophobicContact CG1-CG 4.27Å; V119-L123 WeakPolarHBondContact O-CB 3.27Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.44Å; V119-L123 PolarHBondContact O-N 3.09Å; E120-L123 PolarHBondContact O-N 3.18Å; L123-T127 WeakPolarHBondContact O-CB 3.35Å; L123-T127 WeakPolarHBondContact O-CG2 3.43Å; L123-T127 PolarHBondContact O-N 3.38Å; L123-T127 PolarHBondContact O-OG1 3.27Å; L123-I169 HydrophobicContact CD2-CD1 3.85Å; L123-I169 HydrophobicContact CG-CD1 4.25Å; L123-A177 HydrophobicContact CD2-CB 3.62Å
124R98.1Very high96.8Very high92 Ų9253.6 Ų53.635%0.34729%0.287SS..Hα-helixtrans-66.8-38.8176-76.1175.6175.9-165.8-3.5112.4E120 N121 F122 G128 R129 L130E120-R124 HydrophobicContact CG-CG 4.39Å; E120-R124 WeakPolarHBondContact O-CB 3.46Å; E120-R124 VanDerWaalsContact O-CG 3.24Å; E120-R124 WeakPolarHBondContact O-CG 3.34Å; E120-R124 PolarHBondContact O-N 3.11Å; E120-R124 IonicContact OE1-CZ 3.02Å; E120-R124 IonicContact OE1-NE 3.83Å; E120-R124 PolarHBondContact OE1-NE 3.38Å; E120-R124 IonicContact OE1-NH1 2.95Å; E120-R124 IonicContact OE1-NH2 2.6Å; E120-R124 PolarHBondContact OE1-NH2 3.37Å; N121-R124 PolarHBondContact O-N 2.75Å; F122-R124 VanDerWaalsContact C-N 3.33Å; F122-R124 PolarHBondContact O-N 2.83Å; R124-G128 CarbonylContact O-C 3.55Å; R124-G128 WeakPolarHBondContact O-CA 3.45Å; R124-G128 PolarHBondContact O-N 2.92Å; R124-R129 HydrophobicContact CG-CB 4.44Å; R124-R129 WeakPolarHBondContact CG-O 3.27Å; R124-R129 PolarHBondContact O-N 2.96Å; R124-L130 HydrophobicContact CB-CD2 3.85Å; R124-L130 HydrophobicContact CB-CG 4.37Å
125V98.3Very high96.7Very high0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-60-53.1173.7168.10000110.1V74 Y112 N121 F122 T127 G128 L130 L140V74-V125 HydrophobicContact CG1-CG1 4.2Å; V74-V125 HydrophobicContact CG2-CG1 4.45Å; Y112-V125 HydrophobicContact CE1-CG2 4.45Å; Y112-V125 HydrophobicContact CE2-CG2 3.74Å; Y112-V125 WeakPolarHBondContact OH-CG2 3.49Å; N121-V125 WeakPolarHBondContact O-CG2 3.32Å; N121-V125 PolarHBondContact O-N 3.28Å; F122-V125 WeakPolarHBondContact O-CB 3.18Å; F122-V125 PolarHBondContact O-N 3.49Å; V125-T127 PolarHBondContact O-N 3.01Å; V125-G128 PolarHBondContact O-N 3.02Å; V125-L130 HydrophobicContact CG2-CD1 4.27Å; V125-L140 HydrophobicContact CG1-CB 3.86Å
126L98.4Very high96.6Very high0 Ų055.4 Ų55.40%029%0.294CS..Hα-helixtrans-56.8-52.8179.6-67.3-175.1000111.7V39 F122 G128 L140 I150 L174 A177 F178 M181 R186V39-L126 HydrophobicContact CG2-CD2 4.5Å; F122-L126 HydrophobicContact CD1-CD1 4.4Å; F122-L126 HydrophobicContact CD2-CG 4.47Å; F122-L126 HydrophobicContact CE1-CD1 3.82Å; F122-L126 HydrophobicContact CE2-CD1 3.99Å; F122-L126 HydrophobicContact CE2-CD2 4.22Å; F122-L126 HydrophobicContact CE2-CG 4.1Å; F122-L126 HydrophobicContact CZ-CD1 3.59Å; F122-L126 HydrophobicContact CZ-CD2 4.48Å; F122-L126 HydrophobicContact CZ-CG 4.21Å; F122-L126 WeakPolarHBondContact O-CG 3.47Å; F122-L126 PolarHBondContact O-N 3.09Å; F122-L126 VanDerWaalsContact O-N 3.11Å; L126-G128 VanDerWaalsContact C-N 3.25Å; L126-G128 PolarHBondContact O-N 3.08Å; L126-L140 HydrophobicContact CD2-CD2 4.35Å; L126-I150 HydrophobicContact CD2-CD1 3.72Å; L126-L174 HydrophobicContact CD1-CD1 4.22Å; L126-A177 HydrophobicContact CD1-CB 4.34Å; L126-F178 HydrophobicContact CD1-CE1 3.99Å; L126-M181 HydrophobicContact CB-CG 4.44Å; L126-M181 HydrophobicContact CB-SD 3.72Å; L126-M181 HydrophobicContact CD2-SD 4.08Å; L126-M181 HydrophobicContact CG-SD 4.35Å; L126-M181 VanDerWaalsContact O-CG 3.26Å; L126-M181 WeakPolarHBondContact O-CG 3.31Å; L126-R186 PolarHBondContact O-NE 3.07Å; L126-R186 VanDerWaalsContact O-NE 3.11Å
127T97.7Very high96.4Very high7 Ų753.7 Ų53.74%0.04329%0.291CS..Hα-helixtrans-79.2-3.5-175.262.30000114.4L123 V125 R129 A177 Q180 K184L123-T127 WeakPolarHBondContact O-CB 3.35Å; L123-T127 WeakPolarHBondContact O-CG2 3.43Å; L123-T127 PolarHBondContact O-N 3.38Å; L123-T127 PolarHBondContact O-OG1 3.27Å; V125-T127 PolarHBondContact O-N 3.01Å; T127-R129 PolarHBondContact O-N 3.38Å; T127-A177 HydrophobicContact CG2-CB 4.35Å; T127-Q180 HydrophobicContact CG2-CB 4Å; T127-K184 PolarHBondContact O-NZ 2.94Å
128G96.4Very high96.3Very high31 Ų3155.6 Ų55.632%0.3230%0.299SS..THydrogen-bonded Turntrans66.220.8-176.800000114.3R124 V125 L126 L130R124-G128 CarbonylContact O-C 3.55Å; R124-G128 WeakPolarHBondContact O-CA 3.45Å; R124-G128 PolarHBondContact O-N 2.92Å; V125-G128 PolarHBondContact O-N 3.02Å; L126-G128 VanDerWaalsContact C-N 3.25Å; L126-G128 PolarHBondContact O-N 3.08Å; G128-L130 VanDerWaalsContact C-N 3.28Å; G128-L130 PolarHBondContact O-N 2.85Å
129R95.6Very high96.3Very high143 Ų14356.7 Ų56.754%0.5430%0.3SS..  trans-90.460.6-179.8-69.8-169.5178.9125.54.8111.3R124 T127R124-R129 HydrophobicContact CG-CB 4.44Å; R124-R129 WeakPolarHBondContact CG-O 3.27Å; R124-R129 PolarHBondContact O-N 2.96Å; T127-R129 PolarHBondContact O-N 3.38Å
130L95.4Very high96.3Very high25 Ų2556.1 Ų56.113%0.13130%0.297CS..  trans-110.4141.5178.9-66.6165.7000110.2R124 V125 G128 T134 R139R124-L130 HydrophobicContact CB-CD2 3.85Å; R124-L130 HydrophobicContact CB-CG 4.37Å; V125-L130 HydrophobicContact CG2-CD1 4.27Å; G128-L130 VanDerWaalsContact C-N 3.28Å; G128-L130 PolarHBondContact O-N 2.85Å; L130-T134 HydrophobicContact CB-CG2 4.35Å; L130-T134 HydrophobicContact CD1-CG2 4.27Å; L130-T134 HydrophobicContact CD2-CG2 4.47Å; L130-R139 HydrophobicContact CD1-CB 4.34Å; L130-R139 HydrophobicContact CD1-CG 3.83Å
131P94.6Very high96.2Very high69 Ų6954.8 Ų54.845%0.44829%0.293SS..  trans-51151.1173.3-26.433.7000112.4S133 T134 R139P131-S133 PolarHBondContact O-N 2.81Å; P131-S133 VanDerWaalsContact O-N 3.16Å; P131-T134 WeakPolarHBondContact CD-OG1 3.08Å; P131-T134 WeakPolarHBondContact O-CB 3.47Å; P131-T134 PolarHBondContact O-N 2.74Å; P131-T134 PolarHBondContact O-OG1 2.94Å; P131-R139 PolarHBondContact O-NH1 2.88Å; P131-R139 PolarHBondContact O-NH2 2.99Å
132S92.8Very high96.2Very high125 Ų12553.5 Ų53.587%0.87429%0.287SS*.THydrogen-bonded Turntrans-61.4-23.4177.4540000113.4T134 R139S132-T134 VanDerWaalsContact C-N 3.34Å; S132-R139 PolarHBondContact O-NH2 3.33Å
133S95.3Very high96.1Very high101 Ų10156.4 Ų56.471%0.70630%0.302SS*.THydrogen-bonded Turntrans-76.8-12.9175.655.90000114.7P131P131-S133 PolarHBondContact O-N 2.81Å; P131-S133 VanDerWaalsContact O-N 3.16Å
134T95.8Very high95.9Very high25 Ų2557.9 Ų57.915%0.15331%0.31CS..SBendtrans-61.1131179.4-57.80000110.4L130 P131 S132 K138 R139L130-T134 HydrophobicContact CB-CG2 4.35Å; L130-T134 HydrophobicContact CD1-CG2 4.27Å; L130-T134 HydrophobicContact CD2-CG2 4.47Å; P131-T134 WeakPolarHBondContact CD-OG1 3.08Å; P131-T134 WeakPolarHBondContact O-CB 3.47Å; P131-T134 PolarHBondContact O-N 2.74Å; P131-T134 PolarHBondContact O-OG1 2.94Å; S132-T134 VanDerWaalsContact C-N 3.34Å; T134-K138 HydrophobicContact CG2-CB 3.81Å; T134-R139 HydrophobicContact CG2-CG 4.16Å; T134-R139 PolarHBondContact O-NE 3.12Å; T134-R139 PolarHBondContact O-NH2 3.17Å
135P95.2Very high95.7Very high71 Ų7159 Ų5946%0.46132%0.315SS..  trans-56.9156.3177.6-26.134.9000112.8S137 K138 R139P135-S137 PolarHBondContact O-N 3.23Å; P135-K138 PolarHBondContact O-N 3.33Å; P135-R139 WeakPolarHBondContact O-CG 3.27Å
136R93.8Very high95.7Very high180 Ų18059 Ų5968%0.67932%0.315SS*.SBendtrans-62.9-40.6-179.7-175.7170.5177.9157.9-0.6112.9K138 R139 L141R136-K138 VanDerWaalsContact C-N 3.27Å; R136-K138 PolarHBondContact O-N 2.9Å; R136-R139 WeakPolarHBondContact O-CB 3.42Å; R136-R139 PolarHBondContact O-N 3.23Å; R136-R139 VanDerWaalsContact O-N 3.1Å; R136-L141 HydrophobicContact CG-CD1 3.75Å
137S91.8Very high95.6Very high42 Ų4259 Ų5929%0.29432%0.315SS..THydrogen-bonded Turntrans-59.5-37.1179.151.90000112.6E109 D111 P135 R139E109-S137 WeakPolarHBondContact OE1-CB 3.17Å; D111-S137 WeakPolarHBondContact OD1-CB 3.3Å; P135-S137 PolarHBondContact O-N 3.23Å; S137-R139 PolarHBondContact O-N 3.16Å; S137-R139 VanDerWaalsContact O-N 3.11Å
138K96Very high95.7Very high39 Ų3958.7 Ų58.717%0.1731%0.313CS..THydrogen-bonded Turntrans-77.19.8177.1-64-161.1-177.7-136.90115D111 Y112 E116 T134 P135 R136D111-K138 HydrophobicContact CB-CG 4.33Å; D111-K138 WeakPolarHBondContact O-CE 3.4Å; D111-K138 PolarHBondContact O-NZ 3.47Å; Y112-K138 HydrophobicContact CE1-CD 4.44Å; Y112-K138 HydrophobicContact CE2-CB 3.94Å; Y112-K138 HydrophobicContact CE2-CG 4.26Å; Y112-K138 PolarHBondContact OH-O 2.99Å; E116-K138 IonicContact OE1-NZ 3.05Å; E116-K138 PolarHBondContact OE1-NZ 3.27Å; E116-K138 IonicContact OE2-NZ 2.73Å; E116-K138 PolarHBondContact OE2-NZ 3.46Å; T134-K138 HydrophobicContact CG2-CB 3.81Å; P135-K138 PolarHBondContact O-N 3.33Å; R136-K138 VanDerWaalsContact C-N 3.27Å; R136-K138 PolarHBondContact O-N 2.9Å
139R97.2Very high95.8Very high49 Ų4957.2 Ų57.219%0.18530%0.297CS..SBendtrans-119.6138.2-176.9-64.8172.8-173.8-93.84.9111.4L130 P131 S132 T134 P135 R136 S137 L141L130-R139 HydrophobicContact CD1-CB 4.34Å; L130-R139 HydrophobicContact CD1-CG 3.83Å; P131-R139 PolarHBondContact O-NH1 2.88Å; P131-R139 PolarHBondContact O-NH2 2.99Å; S132-R139 PolarHBondContact O-NH2 3.33Å; T134-R139 HydrophobicContact CG2-CG 4.16Å; T134-R139 PolarHBondContact O-NE 3.12Å; T134-R139 PolarHBondContact O-NH2 3.17Å; P135-R139 WeakPolarHBondContact O-CG 3.27Å; R136-R139 WeakPolarHBondContact O-CB 3.42Å; R136-R139 PolarHBondContact O-N 3.23Å; R136-R139 VanDerWaalsContact O-N 3.1Å; S137-R139 PolarHBondContact O-N 3.16Å; S137-R139 VanDerWaalsContact O-N 3.11Å; R139-L141 HydrophobicContact CB-CD2 3.93Å; R139-L141 HydrophobicContact CB-CG 3.99Å; R139-L141 PolarHBondContact O-N 3.32Å
140L97.7Very high95.9Very high1 Ų150.4 Ų50.41%0.00527%0.272CS..  trans-81.3105.6161.6-179.262.3000108.5W37 V39 V125 L126 S142 I148 M181 R186W37-L140 HydrophobicContact CB-CD1 3.8Å; W37-L140 HydrophobicContact CD2-CD1 3.75Å; W37-L140 HydrophobicContact CE3-CD1 3.58Å; W37-L140 HydrophobicContact CG-CD1 3.85Å; W37-L140 HydrophobicContact CZ3-CD1 4.43Å; V39-L140 HydrophobicContact CG2-CD1 4.16Å; V39-L140 HydrophobicContact CG2-CD2 4.25Å; V125-L140 HydrophobicContact CG1-CB 3.86Å; L126-L140 HydrophobicContact CD2-CD2 4.35Å; L140-S142 VanDerWaalsContact C-N 3.35Å; L140-I148 HydrophobicContact CD1-CD1 4.45Å; L140-I148 HydrophobicContact CD2-CD1 4.2Å; L140-M181 HydrophobicContact CD2-CE 3.92Å; L140-R186 PolarHBondContact O-NH2 3.31Å
141L96.5Very high96.1Very high77 Ų7749.3 Ų49.340%0.40327%0.266SS..  trans-101.642-179.2-62.2179.4000112W37 R136 R139W37-L141 HydrophobicContact CH2-CB 3.68Å; W37-L141 HydrophobicContact CH2-CG 4.44Å; W37-L141 HydrophobicContact CZ2-CB 3.8Å; R136-L141 HydrophobicContact CG-CD1 3.75Å; R139-L141 HydrophobicContact CB-CD2 3.93Å; R139-L141 HydrophobicContact CB-CG 3.99Å; R139-L141 PolarHBondContact O-N 3.32Å
142S96.8Very high96.3Very high10 Ų1046 Ų467%0.0724%0.244CC..  trans-80.2159.4178.163.60000112.9L140 I148 R186L140-S142 VanDerWaalsContact C-N 3.35Å; S142-I148 WeakPolarHBondContact OG-CD1 3.48Å; S142-R186 WeakPolarHBondContact CB-O 3.25Å; S142-R186 PolarHBondContact OG-O 3.04Å
143D95.7Very high96.6Very high61 Ų6140 Ų4033%0.32620%0.203SC..  trans-137.3-171.9-176.962.917.4000112R145 S146 R185 R186 Y187D143-R145 PolarHBondContact O-N 3.21Å; D143-R145 VanDerWaalsContact O-N 3.08Å; D143-R145 VanDerWaalsContact OD1-C 3.32Å; D143-R145 WeakPolarHBondContact OD1-CA 3.45Å; D143-R145 PolarHBondContact OD1-N 2.97Å; D143-S146 PolarHBondContact N-OG 2.88Å; D143-S146 WeakPolarHBondContact O-CB 3.29Å; D143-S146 PolarHBondContact O-N 2.92Å; D143-S146 VanDerWaalsContact O-N 3.15Å; D143-S146 PolarHBondContact OD1-N 2.95Å; D143-S146 VanDerWaalsContact OD1-N 3.1Å; D143-S146 PolarHBondContact OD1-OG 2.94Å; D143-R185 CarbonylContact C-O 3.5Å; D143-R185 WeakPolarHBondContact CA-O 3.35Å; D143-R186 CarbonylContact O-C 3.55Å; D143-Y187 CarbonylContact O-C 3.6Å; D143-Y187 WeakPolarHBondContact O-CA 3.24Å; D143-Y187 PolarHBondContact O-N 3.12Å; D143-Y187 VanDerWaalsContact O-N 3.16Å
144D95.1Very high96.7Very high68 Ų6835.4 Ų35.436%0.36417%0.171SC..THydrogen-bonded Turntrans-68.6-0.4179.454.74.2000114.5R185 N188D144-R185 HydrophobicContact CB-CB 4.06Å; D144-R185 PolarHBondContact N-O 2.68Å; D144-N188 WeakPolarHBondContact O-CB 2.98Å
145R94.1Very high96.8Very high116 Ų11637.3 Ų37.344%0.43818%0.178SC..THydrogen-bonded Turntrans-121.615176.7-67.2-172.4-100.9-170.6-6.8112.2H33 T34 D143H33-R145 CarbonylContact C-O 3.52Å; H33-R145 WeakPolarHBondContact CA-O 3.19Å; H33-R145 WeakPolarHBondContact CB-O 3.48Å; T34-R145 HydrophobicContact CG2-CB 3.92Å; T34-R145 PolarHBondContact N-O 3.47Å; T34-R145 WeakPolarHBondContact OG1-CB 3.34Å; T34-R145 PolarHBondContact OG1-O 3.16Å; D143-R145 PolarHBondContact O-N 3.21Å; D143-R145 VanDerWaalsContact O-N 3.08Å; D143-R145 VanDerWaalsContact OD1-C 3.32Å; D143-R145 WeakPolarHBondContact OD1-CA 3.45Å; D143-R145 PolarHBondContact OD1-N 2.97Å
146S96.8Very high96.8Very high0 Ų034.8 Ų34.80%017%0.165CC..EExtended strand (participates in β ladder)trans-103.1124.6-178.9-60.80000110.2N35 D143 Y187 N188N35-S146 PolarHBondContact ND2-OG 3.33Å; N35-S146 WeakPolarHBondContact O-CA 3.36Å; N35-S146 WeakPolarHBondContact OD1-CB 3.36Å; N35-S146 PolarHBondContact OD1-OG 3.17Å; D143-S146 PolarHBondContact N-OG 2.88Å; D143-S146 WeakPolarHBondContact O-CB 3.29Å; D143-S146 PolarHBondContact O-N 2.92Å; D143-S146 VanDerWaalsContact O-N 3.15Å; D143-S146 PolarHBondContact OD1-N 2.95Å; D143-S146 VanDerWaalsContact OD1-N 3.1Å; D143-S146 PolarHBondContact OD1-OG 2.94Å; S146-Y187 CarbonylContact O-C 3.57Å; S146-Y187 WeakPolarHBondContact O-CA 3.46Å; S146-N188 PolarHBondContact O-N 3.34Å
147N97.9Very high97Very high0 Ų026.4 Ų26.40%013%0.134CC..EExtended strand (participates in β ladder)trans-86.5137.9167-78.410.2000109.4H33 N35 N36 W37 N188 E189 D293 F294H33-N147 HydrophobicContact CB-CB 4.3Å; H33-N147 VanDerWaalsContact CB-OD1 3.27Å; H33-N147 WeakPolarHBondContact CB-OD1 3.35Å; H33-N147 PolarHBondContact CE1-ND2 3.42Å; H33-N147 VanDerWaalsContact CG-ND2 3.32Å; H33-N147 PolarHBondContact ND1-ND2 2.76Å; N35-N147 PolarHBondContact O-N 2.67Å; N36-N147 CarbonylContact C-O 3.47Å; N36-N147 WeakPolarHBondContact CA-O 3.35Å; N36-N147 WeakPolarHBondContact OD1-CB 3.46Å; W37-N147 PolarHBondContact N-O 3.36Å; N147-N188 PolarHBondContact OD1-ND2 3.5Å; N147-E189 CarbonylContact C-O 3.6Å; N147-E189 VanDerWaalsContact CA-O 3.3Å; N147-E189 WeakPolarHBondContact CA-O 3.26Å; N147-E189 PolarHBondContact ND2-OE2 3.34Å; N147-E189 WeakPolarHBondContact OD1-CB 3.44Å; N147-E189 PolarHBondContact OD1-N 3.45Å; N147-D293 PolarHBondContact ND2-O 3Å; N147-F294 HydrophobicContact CB-CD1 4.07Å; N147-F294 HydrophobicContact CB-CE1 4.05Å
148I98.6Very high97.3Very high0 Ų028.9 Ų28.90%014%0.144CC..EExtended strand (participates in β ladder)trans-123.1122.4-173.8-50.9-173.6000110.4W37 V39 L140 S142 I150 M181 R186 E189 L190 L191W37-I148 HydrophobicContact CB-CG1 4.36Å; W37-I148 HydrophobicContact CB-CG2 4.47Å; W37-I148 WeakPolarHBondContact O-CA 3.15Å; V39-I148 HydrophobicContact CG2-CG2 4.45Å; L140-I148 HydrophobicContact CD1-CD1 4.45Å; L140-I148 HydrophobicContact CD2-CD1 4.2Å; S142-I148 WeakPolarHBondContact OG-CD1 3.48Å; I148-I150 HydrophobicContact CG2-CD1 4.36Å; I148-I150 HydrophobicContact CG2-CG1 3.81Å; I148-M181 HydrophobicContact CD1-CE 3.6Å; I148-R186 WeakPolarHBondContact CD1-O 3.3Å; I148-E189 PolarHBondContact N-O 3.18Å; I148-L190 CarbonylContact O-C 3.58Å; I148-L190 WeakPolarHBondContact O-CA 3.43Å; I148-L191 PolarHBondContact O-N 3.25Å
149L98.8Very high97.3Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-89.6123.716417263.5000109.2W37 A38 V39 V63 L191 I193 F295W37-L149 PolarHBondContact O-N 2.95Å; A38-L149 CarbonylContact C-O 3.57Å; A38-L149 VanDerWaalsContact CA-O 3.29Å; A38-L149 WeakPolarHBondContact CA-O 3.32Å; A38-L149 HydrophobicContact CB-CB 4.44Å; V39-L149 PolarHBondContact N-O 2.95Å; V63-L149 HydrophobicContact CG2-CD2 3.82Å; L149-L191 CarbonylContact C-O 3.59Å; L149-L191 WeakPolarHBondContact CA-O 3.34Å; L149-L191 HydrophobicContact CD1-CB 4.44Å; L149-L191 HydrophobicContact CD1-CD2 4.07Å; L149-L191 HydrophobicContact CD1-CG 4.14Å; L149-I193 HydrophobicContact CD1-CD1 3.93Å; L149-I193 HydrophobicContact CD1-CG1 4.24Å; L149-F295 HydrophobicContact CD1-CE1 4.37Å; L149-F295 HydrophobicContact CD1-CE2 4.31Å; L149-F295 HydrophobicContact CD1-CZ 3.95Å; L149-F295 HydrophobicContact CD2-CD1 3.7Å; L149-F295 HydrophobicContact CD2-CE1 3.49Å; L149-F295 VanDerWaalsContact CD2-CE1 3.49Å; L149-F295 HydrophobicContact CD2-CE2 4.46Å; L149-F295 HydrophobicContact CD2-CG 4.28Å; L149-F295 HydrophobicContact CD2-CZ 3.91Å
150I98.9Very high97.4Very high0 Ų027.9 Ų27.90%015%0.145CC..EExtended strand (participates in β ladder)trans-116117169.8-57.7-178.3000107.6V39 F122 L126 I148 L152 F178 L190 L191 F192 I193V39-I150 HydrophobicContact CB-CG1 4.28Å; V39-I150 WeakPolarHBondContact O-CA 3.34Å; F122-I150 HydrophobicContact CZ-CG2 4.38Å; L126-I150 HydrophobicContact CD2-CD1 3.72Å; I148-I150 HydrophobicContact CG2-CD1 4.36Å; I148-I150 HydrophobicContact CG2-CG1 3.81Å; I150-L152 HydrophobicContact CG2-CD2 4.03Å; I150-L152 HydrophobicContact CG2-CG 4.19Å; I150-F178 HydrophobicContact CD1-CE1 3.45Å; I150-F178 VanDerWaalsContact CD1-CE1 3.45Å; I150-F178 HydrophobicContact CD1-CZ 3.75Å; I150-L190 HydrophobicContact CD1-CD1 3.85Å; I150-L190 HydrophobicContact CD1-CD2 4.24Å; I150-L190 HydrophobicContact CD1-CG 4.24Å; I150-L191 PolarHBondContact N-O 3.03Å; I150-F192 HydrophobicContact CB-CD2 4.06Å; I150-F192 HydrophobicContact CG2-CD2 3.89Å; I150-F192 HydrophobicContact CG2-CE2 4.12Å; I150-F192 CarbonylContact O-C 3.54Å; I150-I193 PolarHBondContact O-N 2.82Å
151Y98.9Very high97.4Very high1 Ų127.9 Ų27.90%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-116.7118.7176.5174.4-95.7000110.1V39 V41 N55 V59 T153 I193 T241 L244V39-Y151 PolarHBondContact O-N 3.35Å; V41-Y151 PolarHBondContact N-O 3.13Å; N55-Y151 HydrophobicContact CB-CE1 4.49Å; N55-Y151 WeakPolarHBondContact CB-OH 3.35Å; V59-Y151 HydrophobicContact CB-CD1 4.3Å; V59-Y151 HydrophobicContact CB-CE1 4.48Å; V59-Y151 HydrophobicContact CG1-CD1 4.38Å; V59-Y151 HydrophobicContact CG1-CG 4.23Å; V59-Y151 HydrophobicContact CG2-CD1 4.1Å; V59-Y151 HydrophobicContact CG2-CD2 4.27Å; V59-Y151 HydrophobicContact CG2-CE1 3.91Å; V59-Y151 HydrophobicContact CG2-CE2 4.1Å; V59-Y151 HydrophobicContact CG2-CG 4.28Å; Y151-T153 HydrophobicContact CE1-CG2 3.77Å; Y151-I193 CarbonylContact C-O 3.53Å; Y151-I193 VanDerWaalsContact CA-O 3.29Å; Y151-I193 WeakPolarHBondContact CA-O 3.32Å; Y151-I193 HydrophobicContact CD2-CB 4.03Å; Y151-I193 HydrophobicContact CD2-CG2 3.8Å; Y151-I193 HydrophobicContact CE2-CG2 4.17Å; Y151-T241 WeakPolarHBondContact OH-CG2 3.31Å; Y151-T241 PolarHBondContact OH-OG1 3.27Å; Y151-L244 HydrophobicContact CE2-CD2 4.36Å
152L98.8Very high97.5Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-114.2135.9176.9-53.8-173.6000110V41 F122 I150 L161 F192 I193 I194 D195V41-L152 HydrophobicContact CB-CD2 3.52Å; V41-L152 HydrophobicContact CG1-CD2 4.33Å; V41-L152 HydrophobicContact CG2-CD2 3.59Å; F122-L152 HydrophobicContact CE1-CD1 4.41Å; F122-L152 HydrophobicContact CE1-CD2 4.48Å; F122-L152 HydrophobicContact CE2-CD2 4Å; F122-L152 HydrophobicContact CZ-CD1 4.21Å; F122-L152 HydrophobicContact CZ-CD2 3.74Å; I150-L152 HydrophobicContact CG2-CD2 4.03Å; I150-L152 HydrophobicContact CG2-CG 4.19Å; L152-L161 HydrophobicContact CB-CD2 4.02Å; L152-L161 HydrophobicContact CD1-CD2 3.91Å; L152-F192 HydrophobicContact CD1-CE2 3.61Å; L152-F192 HydrophobicContact CD1-CZ 3.87Å; L152-F192 HydrophobicContact CG-CE2 3.94Å; L152-F192 HydrophobicContact CG-CZ 4.41Å; L152-I193 PolarHBondContact N-O 2.92Å; L152-I194 HydrophobicContact CB-CD1 4.31Å; L152-I194 HydrophobicContact CB-CG1 4.07Å; L152-I194 HydrophobicContact CD1-CD1 4.38Å; L152-I194 CarbonylContact O-C 3.59Å; L152-I194 WeakPolarHBondContact O-CA 3.35Å; L152-D195 PolarHBondContact O-N 2.93Å
153T98.6Very high97.5Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-137.2137.3172.2-177.10000110.9V41 C42 T43 H52 N55 S56 Y151 D195V41-T153 PolarHBondContact O-N 2.73Å; C42-T153 HydrophobicContact CB-CG2 4.31Å; T43-T153 PolarHBondContact N-O 3.24Å; T43-T153 PolarHBondContact OG1-O 3.36Å; H52-T153 HydrophobicContact CB-CG2 4.18Å; H52-T153 PolarHBondContact CD2-OG1 3.39Å; H52-T153 VanDerWaalsContact O-CG2 3.26Å; H52-T153 WeakPolarHBondContact O-CG2 3.42Å; N55-T153 HydrophobicContact CB-CG2 4Å; N55-T153 PolarHBondContact ND2-OG1 3.07Å; S56-T153 VanDerWaalsContact OG-CG2 3.26Å; S56-T153 WeakPolarHBondContact OG-CG2 3.3Å; Y151-T153 HydrophobicContact CE1-CG2 3.77Å; T153-D195 WeakPolarHBondContact CA-O 3.42Å
154G97.6Very high97.4Very high3 Ų324.8 Ų24.83%0.03112%0.124CC..SBendtrans164.3-165.5-177.900000113.5S44 D195 T196S44-G154 WeakPolarHBondContact OG-CA 3.46Å; G154-D195 PolarHBondContact N-O 3.22Å; G154-T196 VanDerWaalsContact O-CB 3.31Å; G154-T196 WeakPolarHBondContact O-CB 3.36Å; G154-T196 PolarHBondContact O-OG1 2.88Å
155H97.8Very high97.2Very high65 Ų6526.4 Ų26.430%0.30113%0.132SC..  trans-91.2136.4175.2-67.2-70.7000111.3S44 N49 R51 H52 L161 K162 T196S44-H155 PolarHBondContact OG-N 3.24Å; N49-H155 PolarHBondContact OD1-NE2 3.37Å; R51-H155 PolarHBondContact NH2-CE1 3.02Å; H52-H155 AromaticContact CE1-CD2 3.65Å; H52-H155 AromaticContact CE1-CE1 3.81Å; H52-H155 AromaticContact CE1-NE2 3.49Å; H52-H155 PolarHBondContact CE1-NE2 3.06Å; H155-L161 WeakPolarHBondContact O-CD1 3.47Å; H155-K162 HydrophobicContact CB-CD 4.41Å; H155-K162 WeakPolarHBondContact O-CB 3.35Å; H155-K162 PolarHBondContact O-N 2.92Å; H155-T196 VanDerWaalsContact C-OG1 3.29Å
156G96.5Very high96.9Very high18 Ų1825 Ų2519%0.18614%0.141CC..EExtended strand (participates in β ladder)trans-151.2-176.9-175.700000111.3F160 T196 C197G156-F160 VanDerWaalsContact CA-O 3.29Å; G156-F160 WeakPolarHBondContact CA-O 3.43Å; G156-T196 WeakPolarHBondContact CA-OG1 3.5Å; G156-T196 PolarHBondContact N-OG1 2.9Å; G156-C197 CarbonylContact C-O 3.51Å
157G96.3Very high96.9Very high4 Ų428.9 Ų28.94%0.04116%0.159CC..EExtended strand (participates in β ladder)trans-160.9-161.4177.300000110.1G159 F160 S201G157-G159 PolarHBondContact O-N 2.94Å; G157-F160 PolarHBondContact N-O 3.05Å; G157-F160 PolarHBondContact O-N 2.53Å; G157-S201 PolarHBondContact O-OG 3.11Å
158N97.7Very high96.8Very high95 Ų9533.7 Ų33.751%0.50818%0.181SC..THydrogen-bonded Turntrans-65.3103.5-177.4-166.6-7.3000111.6S201N158-S201 WeakPolarHBondContact OD1-CB 3.46Å
159G97.8Very high96.8Very high11 Ų1133.7 Ų33.711%0.11318%0.181CC..THydrogen-bonded Turntrans81.711.9174.900000115.3G157 S170 N171 S201 M202G157-G159 PolarHBondContact O-N 2.94Å; G159-S170 CarbonylContact O-C 3.59Å; G159-S170 WeakPolarHBondContact O-CA 3.23Å; G159-N171 PolarHBondContact O-N 2.83Å; G159-S201 PolarHBondContact N-OG 2.97Å; G159-M202 VanDerWaalsContact C-SD 3.55Å
160F98.1Very high96.8Very high56 Ų5635.3 Ų35.325%0.24619%0.192CC..EExtended strand (participates in β ladder)trans-147.2155.2176.674.5-85.9000114G156 G157 K162 E168 I169 M202G156-F160 VanDerWaalsContact CA-O 3.29Å; G156-F160 WeakPolarHBondContact CA-O 3.43Å; G157-F160 PolarHBondContact N-O 3.05Å; G157-F160 PolarHBondContact O-N 2.53Å; F160-K162 HydrophobicContact CD2-CG 4.21Å; F160-K162 HydrophobicContact CE2-CD 4.47Å; F160-K162 HydrophobicContact CE2-CG 3.84Å; F160-E168 HydrophobicContact CD2-CB 4.27Å; F160-E168 VanDerWaalsContact CD2-CD 3.5Å; F160-E168 HydrophobicContact CD2-CG 3.91Å; F160-E168 HydrophobicContact CE2-CG 4.4Å; F160-E168 WeakPolarHBondContact CE2-OE1 3.29Å; F160-I169 CarbonylContact C-O 3.58Å; F160-I169 VanDerWaalsContact CA-O 3.23Å; F160-I169 WeakPolarHBondContact CA-O 3.33Å; F160-M202 VanDerWaalsContact CA-SD 3.53Å; F160-M202 PolarHBondContact N-SD 2.92Å
161L98.4Very high96.8Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-126130.4170.2-178.373.9000109.4T43 L152 H155 F163 E168 I169 I194 T196 M202T43-L161 HydrophobicContact CG2-CD2 3.74Å; T43-L161 HydrophobicContact CG2-CG 4.35Å; L152-L161 HydrophobicContact CB-CD2 4.02Å; L152-L161 HydrophobicContact CD1-CD2 3.91Å; H155-L161 WeakPolarHBondContact O-CD1 3.47Å; L161-F163 HydrophobicContact CD2-CE2 4.14Å; L161-E168 WeakPolarHBondContact O-CA 3.38Å; L161-I169 HydrophobicContact CB-CG2 3.88Å; L161-I169 PolarHBondContact N-O 3.04Å; L161-I169 PolarHBondContact O-N 3.23Å; L161-I194 HydrophobicContact CD1-CD1 4.37Å; L161-I194 HydrophobicContact CD2-CD1 4.14Å; L161-T196 HydrophobicContact CD1-CG2 4.02Å; L161-M202 HydrophobicContact CB-CE 4.1Å
162K97.8Very high96.7Very high69 Ų6939.3 Ų39.330%0.322%0.216SC..EExtended strand (participates in β ladder)trans-76.5137.1179.3-62.8-174.5169.8-169.80111.3T43 H155 F160 E167 E168T43-K162 WeakPolarHBondContact CB-O 3.47Å; T43-K162 PolarHBondContact OG1-O 2.92Å; H155-K162 HydrophobicContact CB-CD 4.41Å; H155-K162 WeakPolarHBondContact O-CB 3.35Å; H155-K162 PolarHBondContact O-N 2.92Å; F160-K162 HydrophobicContact CD2-CG 4.21Å; F160-K162 HydrophobicContact CE2-CD 4.47Å; F160-K162 HydrophobicContact CE2-CG 3.84Å; K162-E167 CarbonylContact C-O 3.21Å; K162-E167 WeakPolarHBondContact CA-O 3.47Å; K162-E168 WeakPolarHBondContact CE-OE1 3.44Å; K162-E168 HydrophobicContact CG-CG 4Å
163F97.7Very high96.7Very high0 Ų043.3 Ų43.30%024%0.235CC..EExtended strand (participates in β ladder)trans-112.4125.1169.9-88.3-115.9000109.7V41 T43 V117 V119 F122 L161 D165 S166 E167 I169V41-F163 HydrophobicContact CG1-CE1 4.16Å; V41-F163 HydrophobicContact CG1-CZ 4.16Å; T43-F163 HydrophobicContact CG2-CD1 4.29Å; T43-F163 HydrophobicContact CG2-CD2 3.78Å; T43-F163 HydrophobicContact CG2-CE1 3.96Å; T43-F163 HydrophobicContact CG2-CE2 3.38Å; T43-F163 HydrophobicContact CG2-CG 4.21Å; T43-F163 HydrophobicContact CG2-CZ 3.49Å; T43-F163 VanDerWaalsContact CG2-CZ 3.49Å; V117-F163 HydrophobicContact CG1-CD1 4.35Å; V117-F163 HydrophobicContact CG1-CE1 4.3Å; V119-F163 HydrophobicContact CG2-CB 3.78Å; V119-F163 HydrophobicContact CG2-CD1 4.16Å; V119-F163 HydrophobicContact CG2-CD2 3.87Å; V119-F163 HydrophobicContact CG2-CG 3.67Å; F122-F163 HydrophobicContact CB-CE1 4.07Å; F122-F163 HydrophobicContact CB-CZ 4.25Å; F122-F163 AromaticContact CD1-CZ 3.95Å; F122-F163 HydrophobicContact CD1-CZ 3.95Å; F122-F163 HydrophobicContact CG-CE1 4.43Å; F122-F163 HydrophobicContact CG-CZ 4.15Å; L161-F163 HydrophobicContact CD2-CE2 4.14Å; F163-D165 PolarHBondContact O-N 2.87Å; F163-S166 PolarHBondContact O-N 3.15Å; F163-E167 HydrophobicContact CB-CB 4.15Å; F163-E167 PolarHBondContact N-O 3.33Å; F163-E167 PolarHBondContact O-N 2.8Å; F163-I169 HydrophobicContact CD2-CB 4.48Å; F163-I169 HydrophobicContact CD2-CG2 3.89Å; F163-I169 HydrophobicContact CE2-CB 4.3Å; F163-I169 HydrophobicContact CE2-CG2 3.5Å; F163-I169 VanDerWaalsContact CE2-CG2 3.5Å
164Q93.8Very high96.7Very high15 Ų1543.3 Ų43.37%0.0724%0.235CC..THydrogen-bonded Turntrans55.319.9175.4-66.1-170.732.900114.8T43 R45 A78 G114 Y115 V117 S166T43-Q164 PolarHBondContact O-N 2.71Å; R45-Q164 VanDerWaalsContact CD-O 3.3Å; R45-Q164 WeakPolarHBondContact CD-O 3.32Å; R45-Q164 VanDerWaalsContact CZ-CB 3.5Å; A78-Q164 HydrophobicContact CB-CG 4.18Å; G114-Q164 PolarHBondContact O-NE2 2.75Å; Y115-Q164 PolarHBondContact O-NE2 2.69Å; V117-Q164 WeakPolarHBondContact O-CG 3.33Å; V117-Q164 PolarHBondContact O-NE2 2.88Å; Q164-S166 PolarHBondContact O-N 2.86Å; Q164-S166 VanDerWaalsContact O-N 3.16Å
165D89.4Confident96.8Very high101 Ų10143.2 Ų43.254%0.5423%0.234SC..THydrogen-bonded Turntrans54.724.1-171.5-157.738.1000114.2F46 F163F46-D165 HydrophobicContact CE2-CB 4.33Å; F163-D165 PolarHBondContact O-N 2.87Å
166S89.6Confident96.8Very high88 Ų8843.3 Ų43.362%0.61524%0.236SC*.THydrogen-bonded Turntrans-136.3-31.6-17559.90000113.8F163 Q164F163-S166 PolarHBondContact O-N 3.15Å; Q164-S166 PolarHBondContact O-N 2.86Å; Q164-S166 VanDerWaalsContact O-N 3.16Å
167E95.5Very high96.9Very high80 Ų8042.5 Ų42.537%0.37423%0.228SC..EExtended strand (participates in β ladder)trans-119.9162.2177.6-63.917916800109.1V119 K162 F163V119-E167 HydrophobicContact CG2-CB 3.87Å; V119-E167 PolarHBondContact N-OE2 3.33Å; V119-E167 VanDerWaalsContact N-OE2 3.08Å; K162-E167 CarbonylContact C-O 3.21Å; K162-E167 WeakPolarHBondContact CA-O 3.47Å; F163-E167 HydrophobicContact CB-CB 4.15Å; F163-E167 PolarHBondContact N-O 3.33Å; F163-E167 PolarHBondContact O-N 2.8Å
168E97.1Very high97Very high101 Ų10142.3 Ų42.347%0.47223%0.226SC..EExtended strand (participates in β ladder)trans-134.3136.2174.6-68.3179.6169.700108.2F160 L161 K162F160-E168 HydrophobicContact CD2-CB 4.27Å; F160-E168 VanDerWaalsContact CD2-CD 3.5Å; F160-E168 HydrophobicContact CD2-CG 3.91Å; F160-E168 HydrophobicContact CE2-CG 4.4Å; F160-E168 WeakPolarHBondContact CE2-OE1 3.29Å; L161-E168 WeakPolarHBondContact O-CA 3.38Å; K162-E168 WeakPolarHBondContact CE-OE1 3.44Å; K162-E168 HydrophobicContact CG-CG 4Å
169I98.1Very high97.1Very high0 Ų039.5 Ų39.50%021%0.21CC..EExtended strand (participates in β ladder)trans-99.5130.1166.6-173.7172.4000108.5V119 F122 L123 F160 L161 F163 E173 L174V119-I169 HydrophobicContact CG1-CB 3.89Å; V119-I169 HydrophobicContact CG1-CD1 4.23Å; V119-I169 HydrophobicContact CG1-CG1 4.05Å; V119-I169 HydrophobicContact CG2-CB 4.05Å; F122-I169 HydrophobicContact CD1-CD1 3.96Å; F122-I169 HydrophobicContact CE1-CD1 4Å; L123-I169 HydrophobicContact CD2-CD1 3.85Å; L123-I169 HydrophobicContact CG-CD1 4.25Å; F160-I169 CarbonylContact C-O 3.58Å; F160-I169 VanDerWaalsContact CA-O 3.23Å; F160-I169 WeakPolarHBondContact CA-O 3.33Å; L161-I169 HydrophobicContact CB-CG2 3.88Å; L161-I169 PolarHBondContact N-O 3.04Å; L161-I169 PolarHBondContact O-N 3.23Å; F163-I169 HydrophobicContact CD2-CB 4.48Å; F163-I169 HydrophobicContact CD2-CG2 3.89Å; F163-I169 HydrophobicContact CE2-CB 4.3Å; F163-I169 HydrophobicContact CE2-CG2 3.5Å; F163-I169 VanDerWaalsContact CE2-CG2 3.5Å; I169-E173 HydrophobicContact CG1-CB 4.17Å; I169-L174 HydrophobicContact CD1-CB 4.34Å; I169-L174 HydrophobicContact CD1-CD1 4.34Å
170S98.4Very high97.1Very high34 Ų3441.7 Ų41.724%0.23822%0.217CC..EExtended strand (participates in β ladder)trans-85.6158176.1660000112.5G159 V172 E173 L174G159-S170 CarbonylContact O-C 3.59Å; G159-S170 WeakPolarHBondContact O-CA 3.23Å; S170-V172 PolarHBondContact O-N 2.76Å; S170-E173 WeakPolarHBondContact CB-OE2 3.32Å; S170-E173 PolarHBondContact N-OE2 2.89Å; S170-E173 PolarHBondContact O-N 3Å; S170-E173 VanDerWaalsContact OG-CG 3.25Å; S170-E173 WeakPolarHBondContact OG-CG 3.27Å; S170-E173 PolarHBondContact OG-N 3.26Å; S170-E173 VanDerWaalsContact OG-N 3.16Å; S170-E173 PolarHBondContact OG-OE2 2.78Å; S170-L174 PolarHBondContact O-N 2.85Å; S170-L174 VanDerWaalsContact O-N 3.12Å
171N98.2Very high97.1Very high18 Ų1839 Ų3910%0.09621%0.205CC..Hα-helixtrans-62-27172.664.4-3.6000113.1G159 A175 S201 M202 R205G159-N171 PolarHBondContact O-N 2.83Å; N171-A175 WeakPolarHBondContact O-CB 3.47Å; N171-A175 PolarHBondContact O-N 2.96Å; N171-S201 PolarHBondContact ND2-O 3.26Å; N171-M202 HydrophobicContact CB-CE 4.47Å; N171-M202 WeakPolarHBondContact CB-O 3.4Å; N171-M202 HydrophobicContact CB-SD 4.13Å; N171-R205 HydrophobicContact CB-CG 4.49Å
172V98.5Very high97.1Very high68 Ų6843 Ų4341%0.41222%0.221SC..Hα-helixtrans-72-48.3175.1-179.40000110.9S170 L174 A175 D176 R205S170-V172 PolarHBondContact O-N 2.76Å; V172-L174 VanDerWaalsContact C-N 3.25Å; V172-L174 PolarHBondContact O-N 3.04Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 2.95Å; V172-A175 VanDerWaalsContact O-N 3.17Å; V172-D176 PolarHBondContact O-N 2.89Å; V172-R205 HydrophobicContact CG2-CG 4.28Å
173E98.3Very high97.1Very high84 Ų8446 Ų4639%0.39324%0.236SC..Hα-helixtrans-60.4-38.3177.5-72.9163.6130.700111.8I169 S170 A177I169-E173 HydrophobicContact CG1-CB 4.17Å; S170-E173 WeakPolarHBondContact CB-OE2 3.32Å; S170-E173 PolarHBondContact N-OE2 2.89Å; S170-E173 PolarHBondContact O-N 3Å; S170-E173 VanDerWaalsContact OG-CG 3.25Å; S170-E173 WeakPolarHBondContact OG-CG 3.27Å; S170-E173 PolarHBondContact OG-N 3.26Å; S170-E173 VanDerWaalsContact OG-N 3.16Å; S170-E173 PolarHBondContact OG-OE2 2.78Å; E173-A177 WeakPolarHBondContact O-CB 3.42Å; E173-A177 PolarHBondContact O-N 3.28Å
174L98.4Very high97.1Very high0 Ų050.3 Ų50.30%026%0.255CS..Hα-helixtrans-67.7-42.8176-171.960000112F122 L126 I169 S170 V172 D176 A177 F178 F192 M202 F206F122-L174 HydrophobicContact CE1-CD1 3.99Å; F122-L174 HydrophobicContact CZ-CD1 4.4Å; L126-L174 HydrophobicContact CD1-CD1 4.22Å; I169-L174 HydrophobicContact CD1-CB 4.34Å; I169-L174 HydrophobicContact CD1-CD1 4.34Å; S170-L174 PolarHBondContact O-N 2.85Å; S170-L174 VanDerWaalsContact O-N 3.12Å; V172-L174 VanDerWaalsContact C-N 3.25Å; V172-L174 PolarHBondContact O-N 3.04Å; L174-D176 VanDerWaalsContact C-N 3.35Å; L174-D176 PolarHBondContact O-N 2.82Å; L174-A177 WeakPolarHBondContact O-CB 3.23Å; L174-A177 PolarHBondContact O-N 2.68Å; L174-F178 HydrophobicContact CD1-CE1 3.88Å; L174-F178 HydrophobicContact CD1-CE2 4.31Å; L174-F178 HydrophobicContact CD1-CZ 3.74Å; L174-F178 HydrophobicContact CD2-CZ 4.45Å; L174-F178 HydrophobicContact CG-CE1 4.48Å; L174-F178 HydrophobicContact CG-CE2 4.07Å; L174-F178 HydrophobicContact CG-CZ 4Å; L174-F178 PolarHBondContact O-N 2.83Å; L174-F192 HydrophobicContact CD2-CE1 4.4Å; L174-F192 HydrophobicContact CD2-CE2 3.71Å; L174-F192 HydrophobicContact CD2-CZ 3.57Å; L174-M202 HydrophobicContact CD2-CE 4.23Å; L174-F206 HydrophobicContact CB-CE1 4.3Å; L174-F206 HydrophobicContact CD2-CE1 3.93Å; L174-F206 HydrophobicContact CD2-CZ 3.78Å; L174-F206 HydrophobicContact CG-CE1 3.89Å; L174-F206 HydrophobicContact CG-CZ 4.11Å
175A98.6Very high97.3Very high1 Ų157.9 Ų57.91%0.00828%0.282CS..Hα-helixtrans-59.4-45.5174.800000111.8N171 V172 A177 F178 E179 R205 F206 Y207N171-A175 WeakPolarHBondContact O-CB 3.47Å; N171-A175 PolarHBondContact O-N 2.96Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 2.95Å; V172-A175 VanDerWaalsContact O-N 3.17Å; A175-A177 VanDerWaalsContact C-N 3.28Å; A175-A177 PolarHBondContact O-N 3.12Å; A175-F178 PolarHBondContact O-N 2.82Å; A175-E179 PolarHBondContact O-N 3.17Å; A175-R205 HydrophobicContact CB-CB 4.2Å; A175-R205 WeakPolarHBondContact CB-O 3.46Å; A175-F206 HydrophobicContact CB-CD1 3.94Å; A175-Y207 HydrophobicContact CB-CD1 4.21Å; A175-Y207 HydrophobicContact CB-CE1 3.92Å
176D98.6Very high97.6Very high66 Ų6655 Ų5535%0.35326%0.264SS..Hα-helixtrans-67.4-29.5178.3-71.2-14.9000112.4V172 L174 Q180 Y207V172-D176 PolarHBondContact O-N 2.89Å; L174-D176 VanDerWaalsContact C-N 3.35Å; L174-D176 PolarHBondContact O-N 2.82Å; D176-Q180 VanDerWaalsContact O-CG 3.23Å; D176-Q180 WeakPolarHBondContact O-CG 3.46Å; D176-Q180 PolarHBondContact O-N 3.45Å; D176-Q180 PolarHBondContact O-NE2 3.35Å; D176-Y207 PolarHBondContact OD1-OH 2.98Å
177A98.6Very high98Very high1 Ų151 Ų511%0.00824%0.235CC..Hα-helixtrans-66.8-45.1172.700000111.3L123 L126 T127 E173 L174 A175 E179 Q180 M181L123-A177 HydrophobicContact CD2-CB 3.62Å; L126-A177 HydrophobicContact CD1-CB 4.34Å; T127-A177 HydrophobicContact CG2-CB 4.35Å; E173-A177 WeakPolarHBondContact O-CB 3.42Å; E173-A177 PolarHBondContact O-N 3.28Å; L174-A177 WeakPolarHBondContact O-CB 3.23Å; L174-A177 PolarHBondContact O-N 2.68Å; A175-A177 VanDerWaalsContact C-N 3.28Å; A175-A177 PolarHBondContact O-N 3.12Å; A177-E179 VanDerWaalsContact C-N 3.33Å; A177-Q180 PolarHBondContact O-N 2.91Å; A177-M181 WeakPolarHBondContact O-CG 3.45Å; A177-M181 PolarHBondContact O-N 2.9Å
178F98.8Very high98.1Very high0 Ų049.3 Ų49.30%023%0.229CC..Hα-helixtrans-65-37.1176.3-66.8-14.8000112.1L126 I150 L174 A175 Q180 M181 W182 L190 F192 F206 I211L126-F178 HydrophobicContact CD1-CE1 3.99Å; I150-F178 HydrophobicContact CD1-CE1 3.45Å; I150-F178 VanDerWaalsContact CD1-CE1 3.45Å; I150-F178 HydrophobicContact CD1-CZ 3.75Å; L174-F178 HydrophobicContact CD1-CE1 3.88Å; L174-F178 HydrophobicContact CD1-CE2 4.31Å; L174-F178 HydrophobicContact CD1-CZ 3.74Å; L174-F178 HydrophobicContact CD2-CZ 4.45Å; L174-F178 HydrophobicContact CG-CE1 4.48Å; L174-F178 HydrophobicContact CG-CE2 4.07Å; L174-F178 HydrophobicContact CG-CZ 4Å; L174-F178 PolarHBondContact O-N 2.83Å; A175-F178 PolarHBondContact O-N 2.82Å; F178-Q180 VanDerWaalsContact C-N 3.33Å; F178-Q180 PolarHBondContact O-N 2.88Å; F178-M181 HydrophobicContact CD1-SD 3.96Å; F178-M181 HydrophobicContact CE1-SD 4.46Å; F178-M181 WeakPolarHBondContact O-CB 3.4Å; F178-M181 PolarHBondContact O-N 2.83Å; F178-M181 VanDerWaalsContact O-N 3.15Å; F178-W182 PolarHBondContact O-N 3.37Å; F178-L190 HydrophobicContact CD1-CD1 4.01Å; F178-L190 HydrophobicContact CE1-CD1 4Å; F178-L190 HydrophobicContact CE2-CD2 4.16Å; F178-L190 HydrophobicContact CG-CD1 4.38Å; F178-L190 HydrophobicContact CZ-CD1 4.32Å; F178-L190 HydrophobicContact CZ-CD2 4.12Å; F178-F192 HydrophobicContact CE2-CD2 4.15Å; F178-F192 HydrophobicContact CE2-CG 4.39Å; F178-F192 AromaticContact CZ-CD2 3.82Å; F178-F192 HydrophobicContact CZ-CD2 3.82Å; F178-F192 HydrophobicContact CZ-CE2 4.29Å; F178-F192 HydrophobicContact CZ-CG 4.46Å; F178-F206 HydrophobicContact CD2-CD1 4.11Å; F178-F206 HydrophobicContact CD2-CD2 4.25Å; F178-F206 AromaticContact CD2-CE1 3.91Å; F178-F206 HydrophobicContact CD2-CE1 3.91Å; F178-F206 HydrophobicContact CD2-CE2 4.04Å; F178-F206 HydrophobicContact CD2-CG 4.3Å; F178-F206 AromaticContact CD2-CZ 3.89Å; F178-F206 HydrophobicContact CD2-CZ 3.89Å; F178-F206 HydrophobicContact CE2-CD1 4.42Å; F178-F206 HydrophobicContact CE2-CD2 4.23Å; F178-F206 AromaticContact CE2-CE1 3.82Å; F178-F206 HydrophobicContact CE2-CE1 3.82Å; F178-F206 AromaticContact CE2-CE2 3.59Å; F178-F206 HydrophobicContact CE2-CE2 3.59Å; F178-F206 AromaticContact CE2-CZ 3.37Å; F178-F206 HydrophobicContact CE2-CZ 3.37Å; F178-F206 HydrophobicContact CZ-CZ 4.39Å; F178-I211 HydrophobicContact CB-CD1 3.84Å; F178-I211 HydrophobicContact CD2-CD1 3.8Å; F178-I211 HydrophobicContact CG-CD1 4.11Å
179E98.6Very high98.1Very high37 Ų3745.2 Ų45.217%0.17321%0.21CC..Hα-helixtrans-61.8-43.6172.4-18058.8-160.300112A175 A177 M181 W182 Q183 Y207 S208A175-E179 PolarHBondContact O-N 3.17Å; A177-E179 VanDerWaalsContact C-N 3.33Å; E179-M181 VanDerWaalsContact C-N 3.27Å; E179-M181 PolarHBondContact O-N 2.87Å; E179-W182 WeakPolarHBondContact O-CB 3.49Å; E179-W182 PolarHBondContact O-N 3.06Å; E179-Q183 HydrophobicContact CG-CG 4.35Å; E179-Q183 WeakPolarHBondContact O-CG 2.89Å; E179-Q183 PolarHBondContact O-N 2.87Å; E179-Q183 VanDerWaalsContact OE1-CG 3.31Å; E179-Q183 WeakPolarHBondContact OE1-CG 3.39Å; E179-Q183 PolarHBondContact OE1-NE2 3.49Å; E179-Y207 HydrophobicContact CB-CE2 3.59Å; E179-Y207 WeakPolarHBondContact CB-OH 3.39Å; E179-Y207 HydrophobicContact CG-CE2 3.54Å; E179-Y207 WeakPolarHBondContact OE2-CE2 3.25Å; E179-S208 WeakPolarHBondContact CA-OG 3.4Å; E179-S208 WeakPolarHBondContact CB-OG 3.45Å; E179-S208 PolarHBondContact N-OG 3.26Å; E179-S208 WeakPolarHBondContact OE2-CB 3.34Å; E179-S208 PolarHBondContact OE2-OG 2.8Å
180Q98.4Very high98.2Very high56 Ų5645.2 Ų45.226%0.26221%0.21SC..Hα-helixtrans-64.7-33.9175.9-72.8171.378.300112.5T127 D176 A177 F178 K184T127-Q180 HydrophobicContact CG2-CB 4Å; D176-Q180 VanDerWaalsContact O-CG 3.23Å; D176-Q180 WeakPolarHBondContact O-CG 3.46Å; D176-Q180 PolarHBondContact O-N 3.45Å; D176-Q180 PolarHBondContact O-NE2 3.35Å; A177-Q180 PolarHBondContact O-N 2.91Å; F178-Q180 VanDerWaalsContact C-N 3.33Å; F178-Q180 PolarHBondContact O-N 2.88Å; Q180-K184 VanDerWaalsContact O-CB 3.23Å; Q180-K184 WeakPolarHBondContact O-CB 3.32Å; Q180-K184 WeakPolarHBondContact O-CD 3.44Å; Q180-K184 WeakPolarHBondContact O-CG 3.15Å; Q180-K184 PolarHBondContact O-N 3.23Å; Q180-K184 VanDerWaalsContact O-N 3.13Å
181M98.6Very high98.2Very high0 Ų043.6 Ų43.60%020%0.198CC..Hα-helixtrans-65.1-43.5172.6-69177.670.500111.3L126 L140 I148 A177 F178 E179 K184 R185 R186 Y187 L190L126-M181 HydrophobicContact CB-CG 4.44Å; L126-M181 HydrophobicContact CB-SD 3.72Å; L126-M181 HydrophobicContact CD2-SD 4.08Å; L126-M181 HydrophobicContact CG-SD 4.35Å; L126-M181 VanDerWaalsContact O-CG 3.26Å; L126-M181 WeakPolarHBondContact O-CG 3.31Å; L140-M181 HydrophobicContact CD2-CE 3.92Å; I148-M181 HydrophobicContact CD1-CE 3.6Å; A177-M181 WeakPolarHBondContact O-CG 3.45Å; A177-M181 PolarHBondContact O-N 2.9Å; F178-M181 HydrophobicContact CD1-SD 3.96Å; F178-M181 HydrophobicContact CE1-SD 4.46Å; F178-M181 WeakPolarHBondContact O-CB 3.4Å; F178-M181 PolarHBondContact O-N 2.83Å; F178-M181 VanDerWaalsContact O-N 3.15Å; E179-M181 VanDerWaalsContact C-N 3.27Å; E179-M181 PolarHBondContact O-N 2.87Å; M181-K184 CarbonylContact O-C 3.52Å; M181-K184 PolarHBondContact O-N 2.76Å; M181-R185 PolarHBondContact O-N 2.87Å; M181-R185 VanDerWaalsContact O-N 3.09Å; M181-R186 HydrophobicContact CB-CB 4.21Å; M181-R186 PolarHBondContact O-N 3.48Å; M181-Y187 HydrophobicContact CB-CD1 3.79Å; M181-Y187 HydrophobicContact CB-CE1 3.88Å; M181-Y187 HydrophobicContact CE-CD1 4.34Å; M181-L190 HydrophobicContact CE-CD1 4.49Å
182W98.1Very high98.2Very high84 Ų8442.7 Ų42.732%0.31819%0.194SC..Hα-helixtrans-62.2-51.5178.3179.3-113.7000112F178 E179 K184 R185 Y187 P209F178-W182 PolarHBondContact O-N 3.37Å; E179-W182 WeakPolarHBondContact O-CB 3.49Å; E179-W182 PolarHBondContact O-N 3.06Å; W182-K184 PolarHBondContact O-N 3.36Å; W182-R185 PolarHBondContact O-N 3.01Å; W182-Y187 HydrophobicContact CB-CE1 3.91Å; W182-Y187 HydrophobicContact CE3-CE1 4.21Å; W182-Y187 AromaticContact CE3-CE2 3.82Å; W182-Y187 HydrophobicContact CE3-CE2 3.82Å; W182-Y187 AromaticContact CE3-CZ 3.64Å; W182-Y187 HydrophobicContact CZ3-CE2 4.24Å; W182-P209 HydrophobicContact CD2-CG 3.64Å; W182-P209 HydrophobicContact CE3-CG 4.09Å; W182-P209 HydrophobicContact CG-CG 4.23Å; W182-P209 HydrophobicContact CH2-CG 3.79Å; W182-P209 HydrophobicContact CZ2-CB 4.46Å; W182-P209 HydrophobicContact CZ2-CG 3.3Å; W182-P209 HydrophobicContact CZ3-CG 4.15Å
183Q98.1Very high98.2Very high132 Ų13239.5 Ų39.562%0.61717%0.174SC*.Hα-helixtrans-60.2-33.2178-68-62.8-30.700112.5E179 R185E179-Q183 HydrophobicContact CG-CG 4.35Å; E179-Q183 WeakPolarHBondContact O-CG 2.89Å; E179-Q183 PolarHBondContact O-N 2.87Å; E179-Q183 VanDerWaalsContact OE1-CG 3.31Å; E179-Q183 WeakPolarHBondContact OE1-CG 3.39Å; E179-Q183 PolarHBondContact OE1-NE2 3.49Å; Q183-R185 VanDerWaalsContact C-N 3.29Å
184K97.4Very high98.2Very high91 Ų9135.5 Ų35.540%0.39616%0.155SC..THydrogen-bonded Turntrans-864.3176.1-70.7174.8171.5175.90113.7T127 Q180 M181 W182 R186T127-K184 PolarHBondContact O-NZ 2.94Å; Q180-K184 VanDerWaalsContact O-CB 3.23Å; Q180-K184 WeakPolarHBondContact O-CB 3.32Å; Q180-K184 WeakPolarHBondContact O-CD 3.44Å; Q180-K184 WeakPolarHBondContact O-CG 3.15Å; Q180-K184 PolarHBondContact O-N 3.23Å; Q180-K184 VanDerWaalsContact O-N 3.13Å; M181-K184 CarbonylContact O-C 3.52Å; M181-K184 PolarHBondContact O-N 2.76Å; W182-K184 PolarHBondContact O-N 3.36Å; K184-R186 VanDerWaalsContact C-N 3.33Å; K184-R186 HydrophobicContact CB-CG 3.73Å; K184-R186 PolarHBondContact O-N 2.87Å
185R97.1Very high98.2Very high174 Ų17435.5 Ų35.566%0.65716%0.156SC*.THydrogen-bonded Turntrans54.248.5179.9-71.1-168.7-175.1-165.82.3112.4D143 D144 M181 W182 Q183D143-R185 CarbonylContact C-O 3.5Å; D143-R185 WeakPolarHBondContact CA-O 3.35Å; D144-R185 HydrophobicContact CB-CB 4.06Å; D144-R185 PolarHBondContact N-O 2.68Å; M181-R185 PolarHBondContact O-N 2.87Å; M181-R185 VanDerWaalsContact O-N 3.09Å; W182-R185 PolarHBondContact O-N 3.01Å; Q183-R185 VanDerWaalsContact C-N 3.29Å
186R97.3Very high98.2Very high40 Ų4035.6 Ų35.615%0.15116%0.156CC..  trans-99.2-0.9-176.3-63.6179.765.278.61.9113.8L126 L140 S142 D143 I148 M181 K184L126-R186 PolarHBondContact O-NE 3.07Å; L126-R186 VanDerWaalsContact O-NE 3.11Å; L140-R186 PolarHBondContact O-NH2 3.31Å; S142-R186 WeakPolarHBondContact CB-O 3.25Å; S142-R186 PolarHBondContact OG-O 3.04Å; D143-R186 CarbonylContact O-C 3.55Å; I148-R186 WeakPolarHBondContact CD1-O 3.3Å; M181-R186 HydrophobicContact CB-CB 4.21Å; M181-R186 PolarHBondContact O-N 3.48Å; K184-R186 VanDerWaalsContact C-N 3.33Å; K184-R186 HydrophobicContact CB-CG 3.73Å; K184-R186 PolarHBondContact O-N 2.87Å
187Y98Very high98.2Very high3 Ų333.7 Ų33.71%0.01215%0.148CC..  trans-151153.3171.969.3-91.4000110.7D143 S146 M181 W182 L190 P209 N210 I211D143-Y187 CarbonylContact O-C 3.6Å; D143-Y187 WeakPolarHBondContact O-CA 3.24Å; D143-Y187 PolarHBondContact O-N 3.12Å; D143-Y187 VanDerWaalsContact O-N 3.16Å; S146-Y187 CarbonylContact O-C 3.57Å; S146-Y187 WeakPolarHBondContact O-CA 3.46Å; M181-Y187 HydrophobicContact CB-CD1 3.79Å; M181-Y187 HydrophobicContact CB-CE1 3.88Å; M181-Y187 HydrophobicContact CE-CD1 4.34Å; W182-Y187 HydrophobicContact CB-CE1 3.91Å; W182-Y187 HydrophobicContact CE3-CE1 4.21Å; W182-Y187 AromaticContact CE3-CE2 3.82Å; W182-Y187 HydrophobicContact CE3-CE2 3.82Å; W182-Y187 AromaticContact CE3-CZ 3.64Å; W182-Y187 HydrophobicContact CZ3-CE2 4.24Å; Y187-L190 HydrophobicContact CD1-CD1 4.41Å; Y187-L190 HydrophobicContact CD2-CB 3.99Å; Y187-L190 HydrophobicContact CE2-CB 4.14Å; Y187-L190 HydrophobicContact CG-CB 4.41Å; Y187-P209 WeakPolarHBondContact CE2-O 3.48Å; Y187-P209 PolarHBondContact OH-O 2.77Å; Y187-N210 HydrophobicContact CE2-CB 4.18Å; Y187-I211 HydrophobicContact CE2-CG1 4.36Å
188N97.1Very high98.1Very high46 Ų4635.8 Ų35.825%0.24616%0.157CC..SBendtrans-86.4-57.3165.5174.457.1000110.2D144 S146 N147 N210D144-N188 WeakPolarHBondContact O-CB 2.98Å; S146-N188 PolarHBondContact O-N 3.34Å; N147-N188 PolarHBondContact OD1-ND2 3.5Å; N188-N210 VanDerWaalsContact O-CB 3.23Å; N188-N210 WeakPolarHBondContact O-CB 3.4Å; N188-N210 PolarHBondContact O-ND2 2.74Å
189E97.6Very high98.1Very high14 Ų1435.8 Ų35.87%0.06516%0.157CC..EExtended strand (participates in β ladder)trans-135.8147.3176.6-67.7168.8164.800110.1N147 I148 N210 F282 R284 F294N147-E189 CarbonylContact C-O 3.6Å; N147-E189 VanDerWaalsContact CA-O 3.3Å; N147-E189 WeakPolarHBondContact CA-O 3.26Å; N147-E189 PolarHBondContact ND2-OE2 3.34Å; N147-E189 WeakPolarHBondContact OD1-CB 3.44Å; N147-E189 PolarHBondContact OD1-N 3.45Å; I148-E189 PolarHBondContact N-O 3.18Å; E189-N210 WeakPolarHBondContact CA-O 3.45Å; E189-N210 HydrophobicContact CG-CB 4.35Å; E189-F282 HydrophobicContact CB-CE2 3.82Å; E189-F282 HydrophobicContact CB-CZ 4.1Å; E189-F282 VanDerWaalsContact CD-CZ 3.47Å; E189-F282 HydrophobicContact CG-CE2 3.8Å; E189-F282 HydrophobicContact CG-CZ 3.79Å; E189-R284 WeakPolarHBondContact OE1-CD 3.44Å; E189-R284 IonicContact OE1-CZ 3.65Å; E189-R284 IonicContact OE1-NE 3.48Å; E189-R284 IonicContact OE1-NH1 2.87Å; E189-R284 PolarHBondContact OE1-NH1 2.97Å; E189-R284 IonicContact OE2-NH1 3.78Å; E189-R284 PolarHBondContact OE2-NH1 3.3Å; E189-F294 HydrophobicContact CB-CE1 3.99Å; E189-F294 HydrophobicContact CB-CZ 3.84Å
190L98.6Very high98.1Very high0 Ų034.1 Ų34.10%015%0.15CC..EExtended strand (participates in β ladder)trans-127.4127.1-178.7-169.2154.1000110.3I148 I150 F178 M181 Y187 F192 N210 I211 M212I148-L190 CarbonylContact O-C 3.58Å; I148-L190 WeakPolarHBondContact O-CA 3.43Å; I150-L190 HydrophobicContact CD1-CD1 3.85Å; I150-L190 HydrophobicContact CD1-CD2 4.24Å; I150-L190 HydrophobicContact CD1-CG 4.24Å; F178-L190 HydrophobicContact CD1-CD1 4.01Å; F178-L190 HydrophobicContact CE1-CD1 4Å; F178-L190 HydrophobicContact CE2-CD2 4.16Å; F178-L190 HydrophobicContact CG-CD1 4.38Å; F178-L190 HydrophobicContact CZ-CD1 4.32Å; F178-L190 HydrophobicContact CZ-CD2 4.12Å; M181-L190 HydrophobicContact CE-CD1 4.49Å; Y187-L190 HydrophobicContact CD1-CD1 4.41Å; Y187-L190 HydrophobicContact CD2-CB 3.99Å; Y187-L190 HydrophobicContact CE2-CB 4.14Å; Y187-L190 HydrophobicContact CG-CB 4.41Å; L190-F192 HydrophobicContact CD2-CB 3.8Å; L190-N210 PolarHBondContact N-O 2.83Å; L190-I211 HydrophobicContact CB-CG1 4.21Å; L190-I211 HydrophobicContact CD2-CG2 3.9Å; L190-I211 WeakPolarHBondContact O-CA 3.28Å; L190-M212 PolarHBondContact O-N 2.75Å
191L98.7Very high98.1Very high0 Ų031.4 Ų31.40%014%0.137CC..EExtended strand (participates in β ladder)trans-106.8111.3170.5179.959.7000109.1I148 L149 I150 I193 M212 L214 M259 F294 F295I148-L191 PolarHBondContact O-N 3.25Å; L149-L191 CarbonylContact C-O 3.59Å; L149-L191 WeakPolarHBondContact CA-O 3.34Å; L149-L191 HydrophobicContact CD1-CB 4.44Å; L149-L191 HydrophobicContact CD1-CD2 4.07Å; L149-L191 HydrophobicContact CD1-CG 4.14Å; I150-L191 PolarHBondContact N-O 3.03Å; L191-I193 HydrophobicContact CD1-CG1 4.44Å; L191-I193 HydrophobicContact CD2-CD1 4.21Å; L191-I193 HydrophobicContact CG-CD1 4.31Å; L191-I193 HydrophobicContact CG-CG1 4.13Å; L191-M212 WeakPolarHBondContact CA-O 3.3Å; L191-M212 HydrophobicContact CD1-CB 4.08Å; L191-M212 HydrophobicContact CD1-CG 4.12Å; L191-M212 HydrophobicContact CD1-SD 4.23Å; L191-L214 HydrophobicContact CD1-CD1 3.41Å; L191-L214 VanDerWaalsContact CD1-CD1 3.41Å; L191-M259 HydrophobicContact CD1-CE 3.53Å; L191-M259 HydrophobicContact CD2-CE 3.79Å; L191-M259 HydrophobicContact CD2-SD 4.42Å; L191-M259 HydrophobicContact CG-CE 4.34Å; L191-F294 HydrophobicContact CB-CB 4.26Å; L191-F294 HydrophobicContact CB-CD1 3.4Å; L191-F294 VanDerWaalsContact CB-CD1 3.4Å; L191-F294 HydrophobicContact CB-CD2 3.99Å; L191-F294 HydrophobicContact CB-CE1 3.61Å; L191-F294 HydrophobicContact CB-CE2 4.16Å; L191-F294 HydrophobicContact CB-CG 3.61Å; L191-F294 HydrophobicContact CB-CZ 3.98Å; L191-F294 HydrophobicContact CD2-CB 3.76Å; L191-F294 HydrophobicContact CD2-CD1 4.42Å; L191-F294 HydrophobicContact CD2-CD2 3.82Å; L191-F294 HydrophobicContact CD2-CG 3.74Å; L191-F294 HydrophobicContact CG-CD2 4.48Å; L191-F294 HydrophobicContact CG-CG 4.32Å; L191-F295 HydrophobicContact CD2-CE2 3.78Å
192F98.8Very high98.1Very high0 Ų031.4 Ų31.40%014%0.137CC..EExtended strand (participates in β ladder)trans-101.5121.5177.6179.7-104.5000110.2I150 L152 L174 F178 L190 I194 M202 F206 M212 A213 L214I150-F192 HydrophobicContact CB-CD2 4.06Å; I150-F192 HydrophobicContact CG2-CD2 3.89Å; I150-F192 HydrophobicContact CG2-CE2 4.12Å; I150-F192 CarbonylContact O-C 3.54Å; L152-F192 HydrophobicContact CD1-CE2 3.61Å; L152-F192 HydrophobicContact CD1-CZ 3.87Å; L152-F192 HydrophobicContact CG-CE2 3.94Å; L152-F192 HydrophobicContact CG-CZ 4.41Å; L174-F192 HydrophobicContact CD2-CE1 4.4Å; L174-F192 HydrophobicContact CD2-CE2 3.71Å; L174-F192 HydrophobicContact CD2-CZ 3.57Å; F178-F192 HydrophobicContact CE2-CD2 4.15Å; F178-F192 HydrophobicContact CE2-CG 4.39Å; F178-F192 AromaticContact CZ-CD2 3.82Å; F178-F192 HydrophobicContact CZ-CD2 3.82Å; F178-F192 HydrophobicContact CZ-CE2 4.29Å; F178-F192 HydrophobicContact CZ-CG 4.46Å; L190-F192 HydrophobicContact CD2-CB 3.8Å; F192-I194 HydrophobicContact CD1-CG2 4.48Å; F192-I194 HydrophobicContact CE1-CB 3.78Å; F192-I194 HydrophobicContact CE1-CD1 4.43Å; F192-I194 HydrophobicContact CE1-CG2 3.69Å; F192-I194 HydrophobicContact CZ-CB 3.87Å; F192-I194 HydrophobicContact CZ-CD1 4.01Å; F192-I194 HydrophobicContact CZ-CG1 4.49Å; F192-I194 HydrophobicContact CZ-CG2 4.25Å; F192-M202 HydrophobicContact CE1-CB 4.49Å; F192-F206 HydrophobicContact CB-CE2 4.28Å; F192-F206 AromaticContact CD1-CE2 3.72Å; F192-F206 HydrophobicContact CD1-CE2 3.72Å; F192-F206 AromaticContact CD1-CZ 3.93Å; F192-F206 HydrophobicContact CD1-CZ 3.93Å; F192-F206 HydrophobicContact CE1-CE2 4.21Å; F192-F206 AromaticContact CE1-CZ 3.96Å; F192-F206 HydrophobicContact CE1-CZ 3.96Å; F192-F206 HydrophobicContact CG-CE2 4Å; F192-F206 HydrophobicContact CG-CZ 4.24Å; F192-F206 HydrophobicContact CZ-CZ 4.33Å; F192-M212 PolarHBondContact N-O 2.87Å; F192-A213 HydrophobicContact CB-CB 4.28Å; F192-A213 HydrophobicContact CD1-CB 4.12Å; F192-A213 CarbonylContact O-C 3.49Å; F192-A213 VanDerWaalsContact O-CA 3.25Å; F192-A213 WeakPolarHBondContact O-CA 3.42Å; F192-L214 PolarHBondContact O-N 2.79Å
193I98.8Very high98Very high0 Ų028.1 Ų28.10%013%0.125CC..EExtended strand (participates in β ladder)trans-122.6127.8176.2-55.2-178000108.1L149 I150 Y151 L152 L191 L214 Y240 L244 F295L149-I193 HydrophobicContact CD1-CD1 3.93Å; L149-I193 HydrophobicContact CD1-CG1 4.24Å; I150-I193 PolarHBondContact O-N 2.82Å; Y151-I193 CarbonylContact C-O 3.53Å; Y151-I193 VanDerWaalsContact CA-O 3.29Å; Y151-I193 WeakPolarHBondContact CA-O 3.32Å; Y151-I193 HydrophobicContact CD2-CB 4.03Å; Y151-I193 HydrophobicContact CD2-CG2 3.8Å; Y151-I193 HydrophobicContact CE2-CG2 4.17Å; L152-I193 PolarHBondContact N-O 2.92Å; L191-I193 HydrophobicContact CD1-CG1 4.44Å; L191-I193 HydrophobicContact CD2-CD1 4.21Å; L191-I193 HydrophobicContact CG-CD1 4.31Å; L191-I193 HydrophobicContact CG-CG1 4.13Å; I193-L214 WeakPolarHBondContact CA-O 3.1Å; I193-L214 HydrophobicContact CG1-CB 4.38Å; I193-L214 HydrophobicContact CG1-CD1 4.34Å; I193-Y240 HydrophobicContact CG2-CE1 3.88Å; I193-L244 HydrophobicContact CG2-CD2 4.41Å; I193-F295 HydrophobicContact CD1-CE2 4.36Å; I193-F295 HydrophobicContact CD1-CZ 3.8Å
194I98.7Very high98Very high0 Ų026.7 Ų26.70%012%0.118CC..EExtended strand (participates in β ladder)trans-127.9124.3177.5-171.4163.7000111.9L152 L161 F192 T196 M202 L214 A215 S216L152-I194 HydrophobicContact CB-CD1 4.31Å; L152-I194 HydrophobicContact CB-CG1 4.07Å; L152-I194 HydrophobicContact CD1-CD1 4.38Å; L152-I194 CarbonylContact O-C 3.59Å; L152-I194 WeakPolarHBondContact O-CA 3.35Å; L161-I194 HydrophobicContact CD1-CD1 4.37Å; L161-I194 HydrophobicContact CD2-CD1 4.14Å; F192-I194 HydrophobicContact CD1-CG2 4.48Å; F192-I194 HydrophobicContact CE1-CB 3.78Å; F192-I194 HydrophobicContact CE1-CD1 4.43Å; F192-I194 HydrophobicContact CE1-CG2 3.69Å; F192-I194 HydrophobicContact CZ-CB 3.87Å; F192-I194 HydrophobicContact CZ-CD1 4.01Å; F192-I194 HydrophobicContact CZ-CG1 4.49Å; F192-I194 HydrophobicContact CZ-CG2 4.25Å; I194-T196 HydrophobicContact CD1-CG2 3.8Å; I194-T196 HydrophobicContact CG1-CG2 3.74Å; I194-M202 HydrophobicContact CD1-CB 4.02Å; I194-M202 HydrophobicContact CD1-CG 3.75Å; I194-L214 PolarHBondContact N-O 3.27Å; I194-A215 HydrophobicContact CG2-CB 3.74Å; I194-A215 CarbonylContact O-C 3.57Å; I194-A215 VanDerWaalsContact O-CA 3.3Å; I194-A215 WeakPolarHBondContact O-CA 3.36Å; I194-S216 PolarHBondContact O-N 3.01Å
195D98.3Very high98Very high1 Ų129.7 Ų29.71%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-104.296.5171.3-163.2-9.4000110.8L152 T153 G154 S216 S223 D238 Y240 T241L152-D195 PolarHBondContact O-N 2.93Å; T153-D195 WeakPolarHBondContact CA-O 3.42Å; G154-D195 PolarHBondContact N-O 3.22Å; D195-S216 VanDerWaalsContact CA-OG 3.31Å; D195-S216 WeakPolarHBondContact CA-OG 3.29Å; D195-S216 WeakPolarHBondContact OD1-CB 3.15Å; D195-S216 PolarHBondContact OD1-OG 3.49Å; D195-S223 PolarHBondContact OD1-OG 3.04Å; D195-D238 VanDerWaalsContact OD2-CB 3.29Å; D195-D238 WeakPolarHBondContact OD2-CB 3.44Å; D195-Y240 HydrophobicContact CB-CD1 4.31Å; D195-T241 WeakPolarHBondContact OD2-CB 3.32Å; D195-T241 PolarHBondContact OD2-N 3.21Å; D195-T241 PolarHBondContact OD2-OG1 3.16Å
196T98.1Very high98Very high2 Ų221.7 Ų21.71%0.01210%0.097CC..SBendtrans-163164-180-1590000112.2G154 H155 G156 L161 I194 G199 S216 S217G154-T196 VanDerWaalsContact O-CB 3.31Å; G154-T196 WeakPolarHBondContact O-CB 3.36Å; G154-T196 PolarHBondContact O-OG1 2.88Å; H155-T196 VanDerWaalsContact C-OG1 3.29Å; G156-T196 WeakPolarHBondContact CA-OG1 3.5Å; G156-T196 PolarHBondContact N-OG1 2.9Å; L161-T196 HydrophobicContact CD1-CG2 4.02Å; I194-T196 HydrophobicContact CD1-CG2 3.8Å; I194-T196 HydrophobicContact CG1-CG2 3.74Å; T196-G199 PolarHBondContact O-N 2.92Å; T196-S216 PolarHBondContact N-OG 2.79Å; T196-S216 PolarHBondContact O-OG 3.12Å; T196-S217 PolarHBondContact O-OG 3.39Å
197C97.8Very high98.1Very high26 Ų2625.4 Ų25.418%0.17611%0.112CC..THydrogen-bonded Turntrans-62.5138.1172.1-61.20000111.2G156 G199 S223G156-C197 CarbonylContact C-O 3.51Å; C197-G199 PolarHBondContact O-N 3.3Å; C197-S223 PolarHBondContact SG-N 3.32Å
198Q97.9Very high98.1Very high45 Ų4525.3 Ų25.321%0.2111%0.111CC..THydrogen-bonded Turntrans51.533-174.6-50.3-175.262.600113.7A200 S201 S217 E221Q198-A200 PolarHBondContact O-N 3.46Å; Q198-A200 VanDerWaalsContact O-N 3.09Å; Q198-S201 WeakPolarHBondContact O-CB 3.37Å; Q198-S201 PolarHBondContact O-N 3.47Å; Q198-S201 PolarHBondContact O-OG 3.46Å; Q198-S217 WeakPolarHBondContact CA-OG 3.15Å; Q198-S217 PolarHBondContact N-OG 2.93Å; Q198-E221 PolarHBondContact N-O 3.4Å
199G97.7Very high98.1Very high0 Ų024.8 Ų24.80%011%0.111CC..G310 helixtrans-56.9-30.2-172.300000114.3T196 C197 S201 M202 S217T196-G199 PolarHBondContact O-N 2.92Å; C197-G199 PolarHBondContact O-N 3.3Å; G199-S201 PolarHBondContact O-N 3.29Å; G199-M202 WeakPolarHBondContact O-CB 3.4Å; G199-M202 PolarHBondContact O-N 3.38Å; G199-S217 PolarHBondContact N-O 2.88Å
200A98.2Very high98.1Very high2 Ų225 Ų252%0.01711%0.112CC..G310 helixtrans-57.8-32.3176.800000113.7Q198 M202 Y203 A215 S217 Q218 V219Q198-A200 PolarHBondContact O-N 3.46Å; Q198-A200 VanDerWaalsContact O-N 3.09Å; A200-M202 PolarHBondContact O-N 2.94Å; A200-M202 VanDerWaalsContact O-N 3.14Å; A200-Y203 VanDerWaalsContact CA-CZ 3.43Å; A200-Y203 HydrophobicContact CB-CE1 4.28Å; A200-Y203 HydrophobicContact CB-CE2 4.19Å; A200-Y203 VanDerWaalsContact CB-OH 3.23Å; A200-Y203 WeakPolarHBondContact CB-OH 3.42Å; A200-Y203 VanDerWaalsContact O-CD2 3.22Å; A200-Y203 WeakPolarHBondContact O-CD2 3.4Å; A200-Y203 WeakPolarHBondContact O-CE2 3.37Å; A200-Y203 PolarHBondContact O-N 3.1Å; A200-A215 HydrophobicContact CB-CB 4.44Å; A200-A215 VanDerWaalsContact N-CB 3.32Å; A200-S217 WeakPolarHBondContact CB-O 3.22Å; A200-S217 PolarHBondContact N-O 2.97Å; A200-Q218 VanDerWaalsContact CB-OE1 3.25Å; A200-V219 HydrophobicContact CB-CG2 4.34Å
201S98.3Very high98.1Very high0 Ų025.1 Ų25.10%011%0.113CC..G310 helixtrans-61.8-21.9177.266.80000113.2G157 N158 G159 N171 Q198 G199 Y203G157-S201 PolarHBondContact O-OG 3.11Å; N158-S201 WeakPolarHBondContact OD1-CB 3.46Å; G159-S201 PolarHBondContact N-OG 2.97Å; N171-S201 PolarHBondContact ND2-O 3.26Å; Q198-S201 WeakPolarHBondContact O-CB 3.37Å; Q198-S201 PolarHBondContact O-N 3.47Å; Q198-S201 PolarHBondContact O-OG 3.46Å; G199-S201 PolarHBondContact O-N 3.29Å; S201-Y203 PolarHBondContact O-N 3.25Å
202M98.5Very high98.1Very high0 Ų025.1 Ų25.10%011%0.113CC..G310 helixtrans-73.6-26-176-69.4-61.8-63.300113.5G159 F160 L161 N171 L174 F192 I194 G199 A200 F206G159-M202 VanDerWaalsContact C-SD 3.55Å; F160-M202 VanDerWaalsContact CA-SD 3.53Å; F160-M202 PolarHBondContact N-SD 2.92Å; L161-M202 HydrophobicContact CB-CE 4.1Å; N171-M202 HydrophobicContact CB-CE 4.47Å; N171-M202 WeakPolarHBondContact CB-O 3.4Å; N171-M202 HydrophobicContact CB-SD 4.13Å; L174-M202 HydrophobicContact CD2-CE 4.23Å; F192-M202 HydrophobicContact CE1-CB 4.49Å; I194-M202 HydrophobicContact CD1-CB 4.02Å; I194-M202 HydrophobicContact CD1-CG 3.75Å; G199-M202 WeakPolarHBondContact O-CB 3.4Å; G199-M202 PolarHBondContact O-N 3.38Å; A200-M202 PolarHBondContact O-N 2.94Å; A200-M202 VanDerWaalsContact O-N 3.14Å; M202-F206 VanDerWaalsContact O-CE1 3.23Å; M202-F206 WeakPolarHBondContact O-CE1 3.32Å
203Y97.7Very high98.1Very high14 Ų1425.2 Ų25.26%0.05511%0.114CC..THydrogen-bonded Turntrans-104.6-2179.756.5-120.6000114A200 S201 R205 F206 A213 A215 G276 R278A200-Y203 VanDerWaalsContact CA-CZ 3.43Å; A200-Y203 HydrophobicContact CB-CE1 4.28Å; A200-Y203 HydrophobicContact CB-CE2 4.19Å; A200-Y203 VanDerWaalsContact CB-OH 3.23Å; A200-Y203 WeakPolarHBondContact CB-OH 3.42Å; A200-Y203 VanDerWaalsContact O-CD2 3.22Å; A200-Y203 WeakPolarHBondContact O-CD2 3.4Å; A200-Y203 WeakPolarHBondContact O-CE2 3.37Å; A200-Y203 PolarHBondContact O-N 3.1Å; S201-Y203 PolarHBondContact O-N 3.25Å; Y203-R205 PolarHBondContact O-N 3.42Å; Y203-F206 PolarHBondContact O-N 3.06Å; Y203-F206 VanDerWaalsContact O-N 3.17Å; Y203-A213 HydrophobicContact CD1-CB 3.52Å; Y203-A213 HydrophobicContact CD2-CB 4.44Å; Y203-A213 HydrophobicContact CE1-CB 4.27Å; Y203-A213 HydrophobicContact CG-CB 3.61Å; Y203-A215 HydrophobicContact CD1-CB 4.34Å; Y203-A215 HydrophobicContact CE1-CB 3.55Å; Y203-G276 WeakPolarHBondContact OH-CA 3.47Å; Y203-R278 HydrophobicContact CD2-CB 3.81Å; Y203-R278 HydrophobicContact CD2-CG 4.4Å; Y203-R278 HydrophobicContact CE2-CB 3.8Å; Y203-R278 HydrophobicContact CG-CB 4.47Å; Y203-R278 PolarHBondContact O-NH1 2.71Å
204E96.6Very high98.1Very high102 Ų10225.3 Ų25.348%0.47711%0.114SC..THydrogen-bonded Turntrans-59.7-31.7179.8-72.3-177169.200112.7V219 R278E204-V219 WeakPolarHBondContact OE1-CG2 3.41Å; E204-R278 PolarHBondContact O-NH1 3.43Å; E204-R278 VanDerWaalsContact O-NH1 3.12Å
205R97.7Very high98Very high155 Ų15525.3 Ų25.359%0.58511%0.114SC*.THydrogen-bonded Turntrans-910.6-178.1-63.2-60.8-176.9151.4-0.5113.9N171 V172 A175 Y203 Y207N171-R205 HydrophobicContact CB-CG 4.49Å; V172-R205 HydrophobicContact CG2-CG 4.28Å; A175-R205 HydrophobicContact CB-CB 4.2Å; A175-R205 WeakPolarHBondContact CB-O 3.46Å; Y203-R205 PolarHBondContact O-N 3.42Å; R205-Y207 VanDerWaalsContact O-CD1 3.26Å; R205-Y207 WeakPolarHBondContact O-CD1 3.3Å; R205-Y207 PolarHBondContact O-N 3.06Å
206F98.4Very high98Very high6 Ų625.3 Ų25.33%0.02611%0.114CC..  trans-65.7135.9174.7-61.7-8.7000110.2L174 A175 F178 F192 M202 Y203 I211 A213 R278 L281L174-F206 HydrophobicContact CB-CE1 4.3Å; L174-F206 HydrophobicContact CD2-CE1 3.93Å; L174-F206 HydrophobicContact CD2-CZ 3.78Å; L174-F206 HydrophobicContact CG-CE1 3.89Å; L174-F206 HydrophobicContact CG-CZ 4.11Å; A175-F206 HydrophobicContact CB-CD1 3.94Å; F178-F206 HydrophobicContact CD2-CD1 4.11Å; F178-F206 HydrophobicContact CD2-CD2 4.25Å; F178-F206 AromaticContact CD2-CE1 3.91Å; F178-F206 HydrophobicContact CD2-CE1 3.91Å; F178-F206 HydrophobicContact CD2-CE2 4.04Å; F178-F206 HydrophobicContact CD2-CG 4.3Å; F178-F206 AromaticContact CD2-CZ 3.89Å; F178-F206 HydrophobicContact CD2-CZ 3.89Å; F178-F206 HydrophobicContact CE2-CD1 4.42Å; F178-F206 HydrophobicContact CE2-CD2 4.23Å; F178-F206 AromaticContact CE2-CE1 3.82Å; F178-F206 HydrophobicContact CE2-CE1 3.82Å; F178-F206 AromaticContact CE2-CE2 3.59Å; F178-F206 HydrophobicContact CE2-CE2 3.59Å; F178-F206 AromaticContact CE2-CZ 3.37Å; F178-F206 HydrophobicContact CE2-CZ 3.37Å; F178-F206 HydrophobicContact CZ-CZ 4.39Å; F192-F206 HydrophobicContact CB-CE2 4.28Å; F192-F206 AromaticContact CD1-CE2 3.72Å; F192-F206 HydrophobicContact CD1-CE2 3.72Å; F192-F206 AromaticContact CD1-CZ 3.93Å; F192-F206 HydrophobicContact CD1-CZ 3.93Å; F192-F206 HydrophobicContact CE1-CE2 4.21Å; F192-F206 AromaticContact CE1-CZ 3.96Å; F192-F206 HydrophobicContact CE1-CZ 3.96Å; F192-F206 HydrophobicContact CG-CE2 4Å; F192-F206 HydrophobicContact CG-CZ 4.24Å; F192-F206 HydrophobicContact CZ-CZ 4.33Å; M202-F206 VanDerWaalsContact O-CE1 3.23Å; M202-F206 WeakPolarHBondContact O-CE1 3.32Å; Y203-F206 PolarHBondContact O-N 3.06Å; Y203-F206 VanDerWaalsContact O-N 3.17Å; F206-I211 HydrophobicContact CD2-CG2 3.98Å; F206-I211 HydrophobicContact CE2-CG2 4.42Å; F206-A213 HydrophobicContact CD2-CB 4.42Å; F206-A213 HydrophobicContact CE2-CB 4.22Å; F206-R278 PolarHBondContact O-NH1 3Å; F206-R278 PolarHBondContact O-NH2 2.89Å; F206-L281 HydrophobicContact CB-CD1 3.64Å
207Y98.1Very high98Very high117 Ų11725.2 Ų25.246%0.45911%0.113SC..  trans-136.1-8.4-179.658-97.3000113.4A175 D176 E179 R205A175-Y207 HydrophobicContact CB-CD1 4.21Å; A175-Y207 HydrophobicContact CB-CE1 3.92Å; D176-Y207 PolarHBondContact OD1-OH 2.98Å; E179-Y207 HydrophobicContact CB-CE2 3.59Å; E179-Y207 WeakPolarHBondContact CB-OH 3.39Å; E179-Y207 HydrophobicContact CG-CE2 3.54Å; E179-Y207 WeakPolarHBondContact OE2-CE2 3.25Å; R205-Y207 VanDerWaalsContact O-CD1 3.26Å; R205-Y207 WeakPolarHBondContact O-CD1 3.3Å; R205-Y207 PolarHBondContact O-N 3.06Å
208S98.4Very high98Very high1 Ų127.4 Ų27.41%0.00712%0.121CC..SBendtrans-79.1144.9176.6-46.70000111E179E179-S208 WeakPolarHBondContact CA-OG 3.4Å; E179-S208 WeakPolarHBondContact CB-OG 3.45Å; E179-S208 PolarHBondContact N-OG 3.26Å; E179-S208 WeakPolarHBondContact OE2-CB 3.34Å; E179-S208 PolarHBondContact OE2-OG 2.8Å
209P97.9Very high98Very high36 Ų3628 Ų2823%0.23413%0.128CC..SBendtrans-75.3167.8-175.733.3-37.6000112.4W182 Y187 I211 L281W182-P209 HydrophobicContact CD2-CG 3.64Å; W182-P209 HydrophobicContact CE3-CG 4.09Å; W182-P209 HydrophobicContact CG-CG 4.23Å; W182-P209 HydrophobicContact CH2-CG 3.79Å; W182-P209 HydrophobicContact CZ2-CB 4.46Å; W182-P209 HydrophobicContact CZ2-CG 3.3Å; W182-P209 HydrophobicContact CZ3-CG 4.15Å; Y187-P209 WeakPolarHBondContact CE2-O 3.48Å; Y187-P209 PolarHBondContact OH-O 2.77Å; P209-I211 VanDerWaalsContact C-N 3.29Å; P209-I211 PolarHBondContact O-N 2.97Å; P209-L281 CarbonylContact C-O 3.48Å
210N97.6Very high97.9Very high17 Ų1731 Ų319%0.09116%0.159CC..SBendtrans61.133.4177.6-58.2-10.3000113.9Y187 N188 E189 L190 L281 Q283Y187-N210 HydrophobicContact CE2-CB 4.18Å; N188-N210 VanDerWaalsContact O-CB 3.23Å; N188-N210 WeakPolarHBondContact O-CB 3.4Å; N188-N210 PolarHBondContact O-ND2 2.74Å; E189-N210 WeakPolarHBondContact CA-O 3.45Å; E189-N210 HydrophobicContact CG-CB 4.35Å; L190-N210 PolarHBondContact N-O 2.83Å; N210-L281 WeakPolarHBondContact CA-O 3.41Å; N210-L281 PolarHBondContact N-O 2.93Å; N210-Q283 WeakPolarHBondContact OD1-CG 3.13Å; N210-Q283 PolarHBondContact OD1-NE2 2.92Å
211I98.3Very high97.9Very high3 Ų333.2 Ų33.22%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-112.2127.6176.6-53.9-175.3000109.9F178 Y187 L190 F206 P209F178-I211 HydrophobicContact CB-CD1 3.84Å; F178-I211 HydrophobicContact CD2-CD1 3.8Å; F178-I211 HydrophobicContact CG-CD1 4.11Å; Y187-I211 HydrophobicContact CE2-CG1 4.36Å; L190-I211 HydrophobicContact CB-CG1 4.21Å; L190-I211 HydrophobicContact CD2-CG2 3.9Å; L190-I211 WeakPolarHBondContact O-CA 3.28Å; F206-I211 HydrophobicContact CD2-CG2 3.98Å; F206-I211 HydrophobicContact CE2-CG2 4.42Å; P209-I211 VanDerWaalsContact C-N 3.29Å; P209-I211 PolarHBondContact O-N 2.97Å
212M98.2Very high97.8Very high0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-110.8134.1165.6-172.8179.1-5700108.5L190 L191 F192 L214 M259 F263 T279 F282 P286L190-M212 PolarHBondContact O-N 2.75Å; L191-M212 WeakPolarHBondContact CA-O 3.3Å; L191-M212 HydrophobicContact CD1-CB 4.08Å; L191-M212 HydrophobicContact CD1-CG 4.12Å; L191-M212 HydrophobicContact CD1-SD 4.23Å; F192-M212 PolarHBondContact N-O 2.87Å; M212-L214 HydrophobicContact CG-CD1 4.36Å; M212-M259 HydrophobicContact CE-CB 4.24Å; M212-M259 HydrophobicContact CE-CG 4.07Å; M212-M259 HydrophobicContact SD-CB 3.99Å; M212-M259 HydrophobicContact SD-CE 3.34Å; M212-M259 WeakPolarHBondContact SD-CE 3.41Å; M212-M259 HydrophobicContact SD-CG 3.91Å; M212-M259 HydrophobicContact SD-SD 4.44Å; M212-F263 HydrophobicContact CE-CZ 4.25Å; M212-F263 HydrophobicContact CG-CE1 4.32Å; M212-F263 HydrophobicContact CG-CZ 4.24Å; M212-F263 HydrophobicContact SD-CE1 3.62Å; M212-F263 HydrophobicContact SD-CZ 3.41Å; M212-F263 WeakPolarHBondContact SD-CZ 3.24Å; M212-T279 HydrophobicContact CE-CG2 4.47Å; M212-T279 HydrophobicContact CG-CG2 4.13Å; M212-T279 HydrophobicContact SD-CG2 4.46Å; M212-F282 HydrophobicContact CB-CD2 3.95Å; M212-F282 HydrophobicContact CB-CE2 4.41Å; M212-F282 HydrophobicContact CB-CG 4.27Å; M212-F282 HydrophobicContact CE-CD1 3.66Å; M212-F282 HydrophobicContact CE-CD2 4.39Å; M212-F282 HydrophobicContact CE-CE1 3.9Å; M212-F282 HydrophobicContact CE-CG 3.93Å; M212-F282 HydrophobicContact CE-CZ 4.36Å; M212-P286 HydrophobicContact CE-CB 4.14Å; M212-P286 HydrophobicContact CE-CG 4.11Å
213A98.4Very high97.7Very high2 Ų239 Ų392%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-125.6141.6-17800000111.9F192 Y203 F206 H277 R278F192-A213 HydrophobicContact CB-CB 4.28Å; F192-A213 HydrophobicContact CD1-CB 4.12Å; F192-A213 CarbonylContact O-C 3.49Å; F192-A213 VanDerWaalsContact O-CA 3.25Å; F192-A213 WeakPolarHBondContact O-CA 3.42Å; Y203-A213 HydrophobicContact CD1-CB 3.52Å; Y203-A213 HydrophobicContact CD2-CB 4.44Å; Y203-A213 HydrophobicContact CE1-CB 4.27Å; Y203-A213 HydrophobicContact CG-CB 3.61Å; F206-A213 HydrophobicContact CD2-CB 4.42Å; F206-A213 HydrophobicContact CE2-CB 4.22Å; A213-H277 CarbonylContact O-C 3.42Å; A213-H277 WeakPolarHBondContact O-CA 3.18Å; A213-R278 HydrophobicContact CB-CB 4.35Å; A213-R278 PolarHBondContact N-O 2.94Å; A213-R278 PolarHBondContact O-N 3.15Å
214L98.4Very high97.6Very high3 Ų341.4 Ų41.42%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-130.6145173.4-65.184.4000109.6L191 F192 I193 I194 M212 M259 L262 F263 G276 H277L191-L214 HydrophobicContact CD1-CD1 3.41Å; L191-L214 VanDerWaalsContact CD1-CD1 3.41Å; F192-L214 PolarHBondContact O-N 2.79Å; I193-L214 WeakPolarHBondContact CA-O 3.1Å; I193-L214 HydrophobicContact CG1-CB 4.38Å; I193-L214 HydrophobicContact CG1-CD1 4.34Å; I194-L214 PolarHBondContact N-O 3.27Å; M212-L214 HydrophobicContact CG-CD1 4.36Å; L214-M259 HydrophobicContact CD1-CE 4.23Å; L214-L262 HydrophobicContact CD2-CD2 4.1Å; L214-L262 HydrophobicContact CD2-CG 3.85Å; L214-F263 HydrophobicContact CD1-CE1 4.15Å; L214-F263 HydrophobicContact CD2-CD1 3.9Å; L214-F263 HydrophobicContact CD2-CE1 4.23Å; L214-F263 HydrophobicContact CG-CD1 4.26Å; L214-F263 HydrophobicContact CG-CE1 4.22Å; L214-G276 CarbonylContact C-O 3.59Å; L214-G276 VanDerWaalsContact CA-O 3.3Å; L214-G276 WeakPolarHBondContact CA-O 3.37Å; L214-H277 HydrophobicContact CG-CB 4.2Å
215A98.3Very high97.5Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-135.5150.4174.900000111.5I194 A200 Y203 S217 P275 G276I194-A215 HydrophobicContact CG2-CB 3.74Å; I194-A215 CarbonylContact O-C 3.57Å; I194-A215 VanDerWaalsContact O-CA 3.3Å; I194-A215 WeakPolarHBondContact O-CA 3.36Å; A200-A215 HydrophobicContact CB-CB 4.44Å; A200-A215 VanDerWaalsContact N-CB 3.32Å; Y203-A215 HydrophobicContact CD1-CB 4.34Å; Y203-A215 HydrophobicContact CE1-CB 3.55Å; A215-S217 VanDerWaalsContact C-N 3.34Å; A215-S217 PolarHBondContact O-N 3.28Å; A215-P275 CarbonylContact O-C 3.47Å; A215-P275 WeakPolarHBondContact O-CA 3.23Å; A215-P275 WeakPolarHBondContact O-CB 3.46Å; A215-G276 PolarHBondContact N-O 2.97Å; A215-G276 PolarHBondContact O-N 3.23Å
216S98.1Very high97.4Very high0 Ų032.4 Ų32.40%018%0.183CC..SBendtrans-74.5-18.5177.460.90000115.1I194 D195 T196 S223 Y240 S273I194-S216 PolarHBondContact O-N 3.01Å; D195-S216 VanDerWaalsContact CA-OG 3.31Å; D195-S216 WeakPolarHBondContact CA-OG 3.29Å; D195-S216 WeakPolarHBondContact OD1-CB 3.15Å; D195-S216 PolarHBondContact OD1-OG 3.49Å; T196-S216 PolarHBondContact N-OG 2.79Å; T196-S216 PolarHBondContact O-OG 3.12Å; S216-S223 WeakPolarHBondContact OG-CB 3.21Å; S216-S223 PolarHBondContact OG-OG 2.85Å; S216-Y240 VanDerWaalsContact CB-CG 3.4Å; S216-S273 WeakPolarHBondContact O-CB 3.27Å; S216-S273 PolarHBondContact O-OG 3.24Å
217S98Very high97.1Very high0 Ų033 Ų330%019%0.186CC..SBendtrans-147.6154.1176.580.90000113.7T196 Q198 G199 A200 A215 E221 T274T196-S217 PolarHBondContact O-OG 3.39Å; Q198-S217 WeakPolarHBondContact CA-OG 3.15Å; Q198-S217 PolarHBondContact N-OG 2.93Å; G199-S217 PolarHBondContact N-O 2.88Å; A200-S217 WeakPolarHBondContact CB-O 3.22Å; A200-S217 PolarHBondContact N-O 2.97Å; A215-S217 VanDerWaalsContact C-N 3.34Å; A215-S217 PolarHBondContact O-N 3.28Å; S217-E221 PolarHBondContact OG-O 3.23Å; S217-T274 CarbonylContact C-O 3.51Å; S217-T274 WeakPolarHBondContact CA-O 3.17Å
218Q97.9Very high96.9Very high72 Ų7230.4 Ų30.434%0.33618%0.183SC..  trans-79.9166.7174.3-70.8-66.5-2.600112.3A200 G220 E221 T274A200-Q218 VanDerWaalsContact CB-OE1 3.25Å; Q218-G220 PolarHBondContact O-N 2.77Å; Q218-E221 HydrophobicContact CB-CG 4.5Å; Q218-E221 PolarHBondContact O-N 3.2Å; Q218-T274 HydrophobicContact CG-CG2 4.1Å; Q218-T274 WeakPolarHBondContact CG-O 3.45Å; Q218-T274 PolarHBondContact N-O 3Å; Q218-T274 VanDerWaalsContact N-O 3.15Å
219V97.3Very high96.7Very high58 Ų5831.3 Ų31.335%0.35219%0.188SC..THydrogen-bonded Turntrans-58.3130.9173-174.80000110.1A200 E204 E221A200-V219 HydrophobicContact CB-CG2 4.34Å; E204-V219 WeakPolarHBondContact OE1-CG2 3.41Å; V219-E221 VanDerWaalsContact C-N 3.33Å
220G96.2Very high96.3Very high63 Ų6337.9 Ų37.965%0.64922%0.221SC*.THydrogen-bonded Turntrans81.80.3-17400000115.8Q218Q218-G220 PolarHBondContact O-N 2.77Å
221E97Very high96Very high48 Ų4840.7 Ų40.722%0.22425%0.246CC..  trans-112.1141174.7-64-173.7155.300112.1Q198 S217 Q218 V219 K268 T274Q198-E221 PolarHBondContact N-O 3.4Å; S217-E221 PolarHBondContact OG-O 3.23Å; Q218-E221 HydrophobicContact CB-CG 4.5Å; Q218-E221 PolarHBondContact O-N 3.2Å; V219-E221 VanDerWaalsContact C-N 3.33Å; E221-K268 IonicContact OE1-NZ 2.8Å; E221-K268 PolarHBondContact OE1-NZ 3.3Å; E221-T274 PolarHBondContact OE1-OG1 2.94Å; E221-T274 WeakPolarHBondContact OE2-CA 3.35Å; E221-T274 WeakPolarHBondContact OE2-CB 3.47Å; E221-T274 PolarHBondContact OE2-N 3.07Å; E221-T274 PolarHBondContact OE2-OG1 3.03Å
222D96.6Very high95.6Very high105 Ų10541 Ų4156%0.56125%0.248SC*.  trans-76.8149171.4-65.7-32.8000111.1L224 S273D222-L224 HydrophobicContact CB-CD2 4.34Å; D222-S273 VanDerWaalsContact O-CB 3.24Å; D222-S273 WeakPolarHBondContact O-CB 3.44Å
223S96.1Very high95.4Very high18 Ų1843.8 Ų43.813%0.12628%0.276CS..  trans-91.8143.5160.3-177.60000108.7D195 C197 S216D195-S223 PolarHBondContact OD1-OG 3.04Å; C197-S223 PolarHBondContact SG-N 3.32Å; S216-S223 WeakPolarHBondContact OG-CB 3.21Å; S216-S223 PolarHBondContact OG-OG 2.85Å
224L96.3Very high95.3Very high63 Ų6344.6 Ų44.633%0.3328%0.281SS..  trans-117.2143.9-170.1-63.2-173.5000112.6D222 R239 V272D222-L224 HydrophobicContact CB-CD2 4.34Å; L224-R239 HydrophobicContact CB-CG 4.39Å; L224-R239 WeakPolarHBondContact O-CB 3.47Å; L224-R239 WeakPolarHBondContact O-CG 3.37Å; L224-R239 PolarHBondContact O-N 3.41Å; L224-V272 HydrophobicContact CD1-CB 3.69Å; L224-V272 HydrophobicContact CD1-CG1 3.81Å; L224-V272 HydrophobicContact CD1-CG2 4.38Å
225S95.4Very high95.1Very high36 Ų3647.7 Ų47.725%0.25230%0.295SS..EExtended strand (participates in β ladder)trans-71.2156.9172.460.70000112.7H235S225-H235 PolarHBondContact OG-CD2 3.14Å; S225-H235 VanDerWaalsContact OG-CD2 3.29Å; S225-H235 VanDerWaalsContact OG-CG 3.31Å; S225-H235 PolarHBondContact OG-ND1 3.13Å; S225-H235 PolarHBondContact OG-NE2 2.64Å
226H94.1Very high95Very high33 Ų3347.7 Ų47.715%0.15330%0.295CS..EExtended strand (participates in β ladder)trans-136.5173.7178.7-157.240.8000111.8H235 L236 M237 R239 F242H226-H235 WeakPolarHBondContact O-CB 2.92Å; H226-H235 PolarHBondContact O-CD2 3.01Å; H226-L236 PolarHBondContact O-N 3.07Å; H226-M237 CarbonylContact C-O 3.6Å; H226-M237 WeakPolarHBondContact CA-O 3.28Å; H226-M237 PolarHBondContact N-O 2.85Å; H226-R239 HydrophobicContact CB-CB 4.39Å; H226-R239 HydrophobicContact CB-CG 3.65Å; H226-F242 AromaticContact CD2-CD1 3.92Å; H226-F242 AromaticContact CD2-CD2 3.71Å; H226-F242 AromaticContact CD2-CG 3.61Å
227Q91.8Very high94.8Very high18 Ų1848 Ų488%0.08430%0.297CS..EExtended strand (participates in β ladder)trans50.462.4176.8-61-63.6-35.900113.9K97 D229 L236 F242K97-Q227 VanDerWaalsContact CE-C 3.45Å; K97-Q227 VanDerWaalsContact CE-CA 3.42Å; K97-Q227 HydrophobicContact CG-CB 4.24Å; Q227-D229 PolarHBondContact O-N 2.82Å; Q227-L236 HydrophobicContact CB-CB 4.11Å; Q227-L236 WeakPolarHBondContact O-CG 3.5Å; Q227-L236 PolarHBondContact O-N 3.36Å; Q227-F242 HydrophobicContact CG-CD2 3.84Å; Q227-F242 HydrophobicContact CG-CE2 3.93Å; Q227-F242 VanDerWaalsContact NE2-CE2 3.31Å
228P93.9Very high94.8Very high62 Ų6248.2 Ų48.240%0.40330%0.298SS..EExtended strand (participates in β ladder)trans-66.6131.2173.825.4-32.2000111.2K97K97-P228 WeakPolarHBondContact CE-O 3.38Å; K97-P228 PolarHBondContact NZ-O 3.09Å
229D93.9Very high94.7Very high20 Ų2047.8 Ų47.811%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-118.3125177.3-172.3-85.3000111M99 Q227 A231 I232 G233 V234 L236M99-D229 VanDerWaalsContact CE-CG 3.46Å; M99-D229 WeakPolarHBondContact CE-OD2 3.31Å; Q227-D229 PolarHBondContact O-N 2.82Å; D229-A231 WeakPolarHBondContact OD1-CA 3.5Å; D229-A231 WeakPolarHBondContact OD1-CB 3.29Å; D229-A231 PolarHBondContact OD1-N 3.34Å; D229-I232 HydrophobicContact CB-CB 4.32Å; D229-I232 PolarHBondContact OD1-N 3.45Å; D229-G233 WeakPolarHBondContact O-CA 3.43Å; D229-G233 PolarHBondContact O-N 3.5Å; D229-V234 PolarHBondContact N-O 3.4Å; D229-V234 PolarHBondContact O-N 3.32Å; D229-L236 HydrophobicContact CB-CD1 3.89Å; D229-L236 HydrophobicContact CB-CD2 3.95Å; D229-L236 HydrophobicContact CB-CG 3.88Å
230L91.3Very high94.7Very high175 Ų17545.2 Ų45.292%0.91628%0.277SS*.THydrogen-bonded Turntrans-77.3-24.9-176.4-66.2175.5000113
231A89.5Confident94.8Very high76 Ų7642.2 Ų42.263%0.62825%0.246SC*.THydrogen-bonded Turntrans-78.4-39.3-179.900000111.4D229D229-A231 WeakPolarHBondContact OD1-CA 3.5Å; D229-A231 WeakPolarHBondContact OD1-CB 3.29Å; D229-A231 PolarHBondContact OD1-N 3.34Å
232I91.6Very high94.8Very high10 Ų1041.4 Ų41.45%0.05124%0.242CC..THydrogen-bonded Turntrans-81.4-27.4174.7-59.2178.8000110.3W47 Y50 P88 M99 D229 V234 L236W47-I232 HydrophobicContact CH2-CG2 3.92Å; W47-I232 HydrophobicContact CZ2-CG2 3.33Å; W47-I232 PolarHBondContact NE1-O 3.4Å; W47-I232 VanDerWaalsContact NE1-O 3.15Å; Y50-I232 HydrophobicContact CD2-CG2 4.24Å; Y50-I232 HydrophobicContact CE2-CG2 4.18Å; P88-I232 HydrophobicContact CG-CG1 4.03Å; M99-I232 HydrophobicContact CE-CD1 3.65Å; M99-I232 HydrophobicContact CE-CG1 3.97Å; D229-I232 HydrophobicContact CB-CB 4.32Å; D229-I232 PolarHBondContact OD1-N 3.45Å; I232-V234 HydrophobicContact CB-CG2 4.5Å; I232-V234 HydrophobicContact CG2-CG2 3.59Å; I232-L236 HydrophobicContact CB-CD2 4.34Å; I232-L236 HydrophobicContact CD1-CD2 3.6Å; I232-L236 HydrophobicContact CG2-CD2 4.26Å
233G93.1Very high94.8Very high58 Ų5838.2 Ų38.260%0.59822%0.222SC*.THydrogen-bonded Turntrans81.115.4174.100000114.4D229D229-G233 WeakPolarHBondContact O-CA 3.43Å; D229-G233 PolarHBondContact O-N 3.5Å
234V95.7Very high94.9Very high18 Ų1837.4 Ų37.411%0.10922%0.217CC..EExtended strand (participates in β ladder)trans-145.1175.9-176.6-58.90000110.3Y50 D229 I232Y50-V234 HydrophobicContact CD1-CG2 4.5Å; Y50-V234 HydrophobicContact CG-CG2 3.99Å; D229-V234 PolarHBondContact N-O 3.4Å; D229-V234 PolarHBondContact O-N 3.32Å; I232-V234 HydrophobicContact CB-CG2 4.5Å; I232-V234 HydrophobicContact CG2-CG2 3.59Å
235H95.5Very high94.8Very high68 Ų6835 Ų3532%0.31520%0.204SC..EExtended strand (participates in β ladder)trans-83.2139.9171.2-69.484.8000110.5R51 S225 H226R51-H235 WeakPolarHBondContact CB-O 3.37Å; R51-H235 PolarHBondContact N-O 3.44Å; S225-H235 PolarHBondContact OG-CD2 3.14Å; S225-H235 VanDerWaalsContact OG-CD2 3.29Å; S225-H235 VanDerWaalsContact OG-CG 3.31Å; S225-H235 PolarHBondContact OG-ND1 3.13Å; S225-H235 PolarHBondContact OG-NE2 2.64Å; H226-H235 WeakPolarHBondContact O-CB 2.92Å; H226-H235 PolarHBondContact O-CD2 3.01Å
236L95.4Very high94.8Very high0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-90.2-21.3-175-57.4-175.1000114.1Y50 R51 A54 K97 H226 Q227 D229 I232Y50-L236 HydrophobicContact CD1-CD2 3.94Å; Y50-L236 HydrophobicContact CE1-CD2 3.63Å; R51-L236 WeakPolarHBondContact CA-O 3.42Å; A54-L236 WeakPolarHBondContact CB-O 3.4Å; K97-L236 HydrophobicContact CG-CD1 4.5Å; H226-L236 PolarHBondContact O-N 3.07Å; Q227-L236 HydrophobicContact CB-CB 4.11Å; Q227-L236 WeakPolarHBondContact O-CG 3.5Å; Q227-L236 PolarHBondContact O-N 3.36Å; D229-L236 HydrophobicContact CB-CD1 3.89Å; D229-L236 HydrophobicContact CB-CD2 3.95Å; D229-L236 HydrophobicContact CB-CG 3.88Å; I232-L236 HydrophobicContact CB-CD2 4.34Å; I232-L236 HydrophobicContact CD1-CD2 3.6Å; I232-L236 HydrophobicContact CG2-CD2 4.26Å
237M94.9Very high95Very high7 Ų738.7 Ų38.73%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-152.1162.8-175.1-165.5117.874.600110.1N55 S95 H226 T241 F242 L245N55-M237 WeakPolarHBondContact OD1-CA 3.34Å; N55-M237 VanDerWaalsContact OD1-CG 3.26Å; N55-M237 WeakPolarHBondContact OD1-CG 3.4Å; S95-M237 VanDerWaalsContact O-CE 3.3Å; S95-M237 WeakPolarHBondContact O-CE 3.26Å; H226-M237 CarbonylContact C-O 3.6Å; H226-M237 WeakPolarHBondContact CA-O 3.28Å; H226-M237 PolarHBondContact N-O 2.85Å; M237-T241 HydrophobicContact CG-CG2 4.44Å; M237-T241 HydrophobicContact SD-CG2 4.27Å; M237-F242 HydrophobicContact CE-CB 4.06Å; M237-F242 HydrophobicContact CE-CD2 3.56Å; M237-F242 HydrophobicContact CE-CE2 4.47Å; M237-F242 HydrophobicContact CE-CG 4.21Å; M237-F242 HydrophobicContact CG-CB 4Å; M237-L245 HydrophobicContact CE-CD1 3.87Å; M237-L245 HydrophobicContact SD-CD1 3.4Å; M237-L245 WeakPolarHBondContact SD-CD1 3.08Å
238D97Very high95.2Very high4 Ų437.9 Ų37.92%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-91.3153.5163.3-66.5-57.9000111.7R51 H52 N55 D195 T241 F242R51-D238 WeakPolarHBondContact CD-OD1 3.26Å; R51-D238 IonicContact NE-OD1 3.81Å; R51-D238 PolarHBondContact NE-OD1 2.77Å; R51-D238 IonicContact NE-OD2 3.8Å; H52-D238 IonicContact CD2-OD2 2.7Å; H52-D238 PolarHBondContact CD2-OD2 2.73Å; H52-D238 IonicContact NE2-OD2 2.93Å; N55-D238 PolarHBondContact ND2-OD2 3.48Å; N55-D238 PolarHBondContact OD1-N 3.44Å; N55-D238 VanDerWaalsContact OD1-N 3.16Å; D195-D238 VanDerWaalsContact OD2-CB 3.29Å; D195-D238 WeakPolarHBondContact OD2-CB 3.44Å; D238-T241 PolarHBondContact O-N 3.32Å; D238-F242 WeakPolarHBondContact O-CB 3.07Å; D238-F242 PolarHBondContact O-N 2.81Å
239R96.3Very high95.2Very high63 Ų6338.2 Ų38.224%0.23821%0.209CC..Hα-helixtrans-60.1-50.4-173.5-78.1-174.7177.9-97.3-3.7112.2L224 H226 T241 F242 Y243 Q270 C271L224-R239 HydrophobicContact CB-CG 4.39Å; L224-R239 WeakPolarHBondContact O-CB 3.47Å; L224-R239 WeakPolarHBondContact O-CG 3.37Å; L224-R239 PolarHBondContact O-N 3.41Å; H226-R239 HydrophobicContact CB-CB 4.39Å; H226-R239 HydrophobicContact CB-CG 3.65Å; R239-T241 PolarHBondContact O-N 3.13Å; R239-F242 WeakPolarHBondContact O-CB 3.44Å; R239-F242 PolarHBondContact O-N 3.14Å; R239-Y243 WeakPolarHBondContact O-CD2 3.26Å; R239-Y243 PolarHBondContact O-N 2.97Å; R239-Q270 PolarHBondContact NH1-O 3.02Å; R239-C271 VanDerWaalsContact CD-O 3.23Å; R239-C271 WeakPolarHBondContact CD-O 3.24Å
240Y97.8Very high95.2Very high4 Ų443.7 Ų43.72%0.01624%0.238CC..Hα-helixtrans-60.5-49.6-179.2174.1-101.7000111I193 D195 S216 F242 Y243 L244 C266 P275I193-Y240 HydrophobicContact CG2-CE1 3.88Å; D195-Y240 HydrophobicContact CB-CD1 4.31Å; S216-Y240 VanDerWaalsContact CB-CG 3.4Å; Y240-F242 VanDerWaalsContact C-N 3.26Å; Y240-F242 PolarHBondContact O-N 2.91Å; Y240-Y243 PolarHBondContact O-N 3.37Å; Y240-L244 HydrophobicContact CE1-CD2 4.21Å; Y240-L244 WeakPolarHBondContact O-CB 3.37Å; Y240-L244 PolarHBondContact O-N 3.43Å; Y240-C266 HydrophobicContact CD2-CB 4.02Å; Y240-P275 HydrophobicContact CD2-CB 4.15Å; Y240-P275 HydrophobicContact CD2-CG 3.88Å; Y240-P275 HydrophobicContact CE2-CB 3.99Å; Y240-P275 HydrophobicContact CE2-CG 4.17Å
241T97.3Very high95.4Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-60-35.2177.2-62.40000112.6N55 V59 Y151 D195 M237 D238 R239 L244 L245N55-T241 HydrophobicContact CB-CG2 3.81Å; V59-T241 HydrophobicContact CG2-CG2 4.49Å; Y151-T241 WeakPolarHBondContact OH-CG2 3.31Å; Y151-T241 PolarHBondContact OH-OG1 3.27Å; D195-T241 WeakPolarHBondContact OD2-CB 3.32Å; D195-T241 PolarHBondContact OD2-N 3.21Å; D195-T241 PolarHBondContact OD2-OG1 3.16Å; M237-T241 HydrophobicContact CG-CG2 4.44Å; M237-T241 HydrophobicContact SD-CG2 4.27Å; D238-T241 PolarHBondContact O-N 3.32Å; R239-T241 PolarHBondContact O-N 3.13Å; T241-L244 PolarHBondContact O-N 3.21Å; T241-L245 HydrophobicContact CG2-CD1 3.65Å; T241-L245 HydrophobicContact CG2-CG 4.14Å; T241-L245 WeakPolarHBondContact O-CB 3.46Å; T241-L245 WeakPolarHBondContact O-CD1 3.29Å; T241-L245 WeakPolarHBondContact O-CG 3.46Å; T241-L245 PolarHBondContact O-N 3.5Å
242F96.6Very high95.6Very high31 Ų3137.2 Ų37.214%0.13619%0.19CC..Hα-helixtrans-57.5-52.3174.3177.6-86.5000112.5H96 H226 Q227 M237 D238 R239 Y240 L245 E246H96-F242 AromaticContact CD2-CE2 3.84Å; H226-F242 AromaticContact CD2-CD1 3.92Å; H226-F242 AromaticContact CD2-CD2 3.71Å; H226-F242 AromaticContact CD2-CG 3.61Å; Q227-F242 HydrophobicContact CG-CD2 3.84Å; Q227-F242 HydrophobicContact CG-CE2 3.93Å; Q227-F242 VanDerWaalsContact NE2-CE2 3.31Å; M237-F242 HydrophobicContact CE-CB 4.06Å; M237-F242 HydrophobicContact CE-CD2 3.56Å; M237-F242 HydrophobicContact CE-CE2 4.47Å; M237-F242 HydrophobicContact CE-CG 4.21Å; M237-F242 HydrophobicContact CG-CB 4Å; D238-F242 WeakPolarHBondContact O-CB 3.07Å; D238-F242 PolarHBondContact O-N 2.81Å; R239-F242 WeakPolarHBondContact O-CB 3.44Å; R239-F242 PolarHBondContact O-N 3.14Å; Y240-F242 VanDerWaalsContact C-N 3.26Å; Y240-F242 PolarHBondContact O-N 2.91Å; F242-L245 PolarHBondContact O-N 3.44Å; F242-E246 PolarHBondContact O-N 3.41Å
243Y97.2Very high95.4Very high39 Ų3941.1 Ų41.115%0.15322%0.217CC..Hα-helixtrans-73.8-28.7-179-68.9-71.3000112.6R239 Y240 E246 F247 C266 Q270R239-Y243 WeakPolarHBondContact O-CD2 3.26Å; R239-Y243 PolarHBondContact O-N 2.97Å; Y240-Y243 PolarHBondContact O-N 3.37Å; Y243-E246 VanDerWaalsContact CD1-OE2 3.29Å; Y243-E246 WeakPolarHBondContact CD1-OE2 3.35Å; Y243-F247 WeakPolarHBondContact O-CB 3.46Å; Y243-F247 PolarHBondContact O-N 3.45Å; Y243-C266 HydrophobicContact CD2-CB 4.18Å; Y243-C266 WeakPolarHBondContact CD2-SG 3.45Å; Y243-C266 HydrophobicContact CG-CB 4.28Å; Y243-Q270 HydrophobicContact CD2-CB 4.25Å; Y243-Q270 HydrophobicContact CE1-CB 4.32Å; Y243-Q270 HydrophobicContact CE1-CG 4.24Å; Y243-Q270 HydrophobicContact CE2-CB 3.64Å; Y243-Q270 HydrophobicContact CE2-CG 4.4Å
244L97.5Very high95.2Very high1 Ų142.1 Ų42.11%0.00522%0.219CC..Hα-helixtrans-59.8-47.3168.7174.562.6000111Y151 I193 Y240 T241 F247 L248 L262 V265Y151-L244 HydrophobicContact CE2-CD2 4.36Å; I193-L244 HydrophobicContact CG2-CD2 4.41Å; Y240-L244 HydrophobicContact CE1-CD2 4.21Å; Y240-L244 WeakPolarHBondContact O-CB 3.37Å; Y240-L244 PolarHBondContact O-N 3.43Å; T241-L244 PolarHBondContact O-N 3.21Å; L244-F247 WeakPolarHBondContact O-CB 3.43Å; L244-F247 PolarHBondContact O-N 3.39Å; L244-L248 HydrophobicContact CD1-CD1 4.08Å; L244-L248 HydrophobicContact CD1-CG 4.22Å; L244-L248 HydrophobicContact CG-CD1 4.01Å; L244-L248 WeakPolarHBondContact O-CB 3.31Å; L244-L248 VanDerWaalsContact O-CG 3.26Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.91Å; L244-L262 HydrophobicContact CD1-CD1 3.45Å; L244-L262 VanDerWaalsContact CD1-CD1 3.45Å; L244-V265 HydrophobicContact CB-CG1 4.41Å
245L96.1Very high95Very high11 Ų1142.2 Ų42.26%0.05822%0.22CC..Hα-helixtrans-69.3-39.1179.8-68.3163.5000111.7V59 S62 M237 T241 F242 F247 L248 E249V59-L245 HydrophobicContact CG2-CD2 4.1Å; S62-L245 WeakPolarHBondContact OG-CD2 3.4Å; M237-L245 HydrophobicContact CE-CD1 3.87Å; M237-L245 HydrophobicContact SD-CD1 3.4Å; M237-L245 WeakPolarHBondContact SD-CD1 3.08Å; T241-L245 HydrophobicContact CG2-CD1 3.65Å; T241-L245 HydrophobicContact CG2-CG 4.14Å; T241-L245 WeakPolarHBondContact O-CB 3.46Å; T241-L245 WeakPolarHBondContact O-CD1 3.29Å; T241-L245 WeakPolarHBondContact O-CG 3.46Å; T241-L245 PolarHBondContact O-N 3.5Å; F242-L245 PolarHBondContact O-N 3.44Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 2.96Å; L245-L248 CarbonylContact O-C 3.6Å; L245-L248 PolarHBondContact O-N 3.14Å; L245-L248 VanDerWaalsContact O-N 3.15Å; L245-E249 WeakPolarHBondContact O-CG 3.4Å; L245-E249 PolarHBondContact O-N 3.02Å
246E94.9Very high94.9Very high107 Ų10747.6 Ų47.650%0.524%0.243SC..Hα-helixtrans-55.9-47.8172.6-172.4178.9-176.200111F242 Y243 L248 E249F242-E246 PolarHBondContact O-N 3.41Å; Y243-E246 VanDerWaalsContact CD1-OE2 3.29Å; Y243-E246 WeakPolarHBondContact CD1-OE2 3.35Å; E246-L248 PolarHBondContact O-N 3.27Å; E246-E249 PolarHBondContact O-N 2.74Å
247F96.9Very high94.9Very high41 Ų4148.3 Ų48.318%0.1825%0.249CC..Hα-helixtrans-60-46.5173.6170.7-99.7000112.2Y243 L244 L245 E249 D250 I251 A257 D261 L262 V265 I291Y243-F247 WeakPolarHBondContact O-CB 3.46Å; Y243-F247 PolarHBondContact O-N 3.45Å; L244-F247 WeakPolarHBondContact O-CB 3.43Å; L244-F247 PolarHBondContact O-N 3.39Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 2.96Å; F247-E249 VanDerWaalsContact C-N 3.3Å; F247-E249 PolarHBondContact O-N 3.49Å; F247-D250 PolarHBondContact O-N 3.41Å; F247-I251 HydrophobicContact CD1-CG1 4.47Å; F247-I251 HydrophobicContact CE1-CD1 4.22Å; F247-I251 HydrophobicContact CE1-CG1 4.15Å; F247-I251 HydrophobicContact CE2-CD1 4.3Å; F247-I251 HydrophobicContact CZ-CD1 3.97Å; F247-I251 HydrophobicContact CZ-CG1 4.41Å; F247-I251 WeakPolarHBondContact O-CG1 3.47Å; F247-A257 HydrophobicContact CZ-CB 4.2Å; F247-D261 HydrophobicContact CE2-CB 4.05Å; F247-D261 HydrophobicContact CZ-CB 4.21Å; F247-L262 HydrophobicContact CD1-CD1 4.03Å; F247-L262 HydrophobicContact CE1-CB 4.16Å; F247-L262 HydrophobicContact CE1-CD1 4Å; F247-L262 HydrophobicContact CZ-CB 4.37Å; F247-V265 HydrophobicContact CB-CG2 3.71Å; F247-V265 HydrophobicContact CD1-CG2 4.05Å; F247-V265 HydrophobicContact CD2-CG2 3.92Å; F247-V265 HydrophobicContact CG-CG2 3.62Å; F247-I291 HydrophobicContact CE1-CD1 4.06Å; F247-I291 HydrophobicContact CE1-CG1 3.87Å; F247-I291 HydrophobicContact CE1-CG2 4.38Å; F247-I291 HydrophobicContact CZ-CD1 4.13Å; F247-I291 HydrophobicContact CZ-CG1 3.84Å
248L96.6Very high95Very high0 Ų049.4 Ų49.40%026%0.255CS..Hα-helixtrans-65.9-31.7-179.2-71.9174.8000112.2R65 L244 L245 E246 D250 I251 I291 F295R65-L248 PolarHBondContact NH2-O 3.24Å; L244-L248 HydrophobicContact CD1-CD1 4.08Å; L244-L248 HydrophobicContact CD1-CG 4.22Å; L244-L248 HydrophobicContact CG-CD1 4.01Å; L244-L248 WeakPolarHBondContact O-CB 3.31Å; L244-L248 VanDerWaalsContact O-CG 3.26Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.91Å; L245-L248 CarbonylContact O-C 3.6Å; L245-L248 PolarHBondContact O-N 3.14Å; L245-L248 VanDerWaalsContact O-N 3.15Å; E246-L248 PolarHBondContact O-N 3.27Å; L248-D250 PolarHBondContact O-N 3.42Å; L248-I251 HydrophobicContact CD2-CG1 4.43Å; L248-I251 WeakPolarHBondContact O-CB 3.46Å; L248-I251 PolarHBondContact O-N 2.88Å; L248-I291 HydrophobicContact CD2-CG2 3.96Å; L248-F295 HydrophobicContact CD1-CD1 4.03Å; L248-F295 HydrophobicContact CD1-CE1 3.6Å; L248-F295 HydrophobicContact CD1-CZ 4.23Å; L248-F295 HydrophobicContact CD2-CD1 3.93Å; L248-F295 HydrophobicContact CD2-CD2 4.4Å; L248-F295 HydrophobicContact CD2-CE1 4.01Å; L248-F295 HydrophobicContact CD2-CE2 4.46Å; L248-F295 HydrophobicContact CD2-CG 4.14Å; L248-F295 HydrophobicContact CD2-CZ 4.27Å; L248-F295 HydrophobicContact CG-CE1 4.47Å
249E94Very high95Very high70 Ų7049.2 Ų49.233%0.32725%0.254SS..Hα-helixtrans-59.2-34.2178.5-76-64.5152.800111.8R61 R65 L245 E246 F247 I251R61-E249 IonicContact CZ-OE1 2.97Å; R61-E249 IonicContact NH1-OE1 2.85Å; R61-E249 PolarHBondContact NH1-OE1 3.5Å; R65-E249 IonicContact CZ-OE2 2.67Å; R65-E249 PolarHBondContact NH1-O 3.37Å; R65-E249 IonicContact NH1-OE2 2.75Å; R65-E249 PolarHBondContact NH1-OE2 3.27Å; R65-E249 VanDerWaalsContact NH2-CA 3.34Å; R65-E249 PolarHBondContact NH2-O 3.21Å; R65-E249 VanDerWaalsContact NH2-O 3.09Å; L245-E249 WeakPolarHBondContact O-CG 3.4Å; L245-E249 PolarHBondContact O-N 3.02Å; E246-E249 PolarHBondContact O-N 2.74Å; F247-E249 VanDerWaalsContact C-N 3.3Å; F247-E249 PolarHBondContact O-N 3.49Å; E249-I251 VanDerWaalsContact C-N 3.33Å
250D94.7Very high95Very high135 Ų13549 Ų4972%0.72226%0.258SS*.THydrogen-bonded Turntrans-79-12.5175.9-69.7-26000113.9F247 L248F247-D250 PolarHBondContact O-N 3.41Å; L248-D250 PolarHBondContact O-N 3.42Å
251I95.7Very high95Very high10 Ų1051.6 Ų51.65%0.05127%0.272CS..  trans-80.1127.5177.9-54.5-53.1000110.2R65 L66 F247 L248 E249 A257 I291 T292R65-I251 PolarHBondContact NH2-O 2.87Å; R65-I251 VanDerWaalsContact NH2-O 3.07Å; L66-I251 HydrophobicContact CD1-CG2 4.27Å; L66-I251 HydrophobicContact CD2-CG2 4Å; L66-I251 WeakPolarHBondContact CD2-O 3.5Å; F247-I251 HydrophobicContact CD1-CG1 4.47Å; F247-I251 HydrophobicContact CE1-CD1 4.22Å; F247-I251 HydrophobicContact CE1-CG1 4.15Å; F247-I251 HydrophobicContact CE2-CD1 4.3Å; F247-I251 HydrophobicContact CZ-CD1 3.97Å; F247-I251 HydrophobicContact CZ-CG1 4.41Å; F247-I251 WeakPolarHBondContact O-CG1 3.47Å; L248-I251 HydrophobicContact CD2-CG1 4.43Å; L248-I251 WeakPolarHBondContact O-CB 3.46Å; L248-I251 PolarHBondContact O-N 2.88Å; E249-I251 VanDerWaalsContact C-N 3.33Å; I251-A257 HydrophobicContact CD1-CB 3.53Å; I251-I291 HydrophobicContact CG1-CG2 4.43Å; I251-I291 HydrophobicContact CG2-CG2 4.38Å; I251-T292 HydrophobicContact CG2-CG2 4.3Å
252H91.9Very high95Very high104 Ų10451.6 Ų51.648%0.48127%0.272SS..  trans-119.2164170.657.379.6000110.5A254 S255H252-A254 VanDerWaalsContact CE1-C 3.42Å; H252-A254 PolarHBondContact ND1-N 3.07Å; H252-A254 PolarHBondContact O-N 2.67Å; H252-A254 VanDerWaalsContact O-N 3.08Å; H252-S255 PolarHBondContact CE1-N 3.06Å; H252-S255 VanDerWaalsContact CE1-N 3.31Å; H252-S255 PolarHBondContact ND1-N 3.49Å; H252-S255 VanDerWaalsContact ND1-N 3.18Å; H252-S255 WeakPolarHBondContact O-CB 3.3Å; H252-S255 PolarHBondContact O-N 3.1Å
253P89.1Confident95Very high93 Ų9351.8 Ų51.860%0.60427%0.272SS*.THydrogen-bonded Turntrans-55.9-30.4-176.8-29.837000115.3S255P253-S255 VanDerWaalsContact C-N 3.33Å
254A87.9Confident94.9Very high79 Ų7956.9 Ų56.965%0.65330%0.295SS*.THydrogen-bonded Turntrans-87.16.7175.300000114.7H252H252-A254 VanDerWaalsContact CE1-C 3.42Å; H252-A254 PolarHBondContact ND1-N 3.07Å; H252-A254 PolarHBondContact O-N 2.67Å; H252-A254 VanDerWaalsContact O-N 3.08Å
255S92.1Very high94.8Very high19 Ų1957.5 Ų57.513%0.13330%0.299CS..  trans-68.6145.8-176.7-176.40000110.9H252 P253 A257H252-S255 PolarHBondContact CE1-N 3.06Å; H252-S255 VanDerWaalsContact CE1-N 3.31Å; H252-S255 PolarHBondContact ND1-N 3.49Å; H252-S255 VanDerWaalsContact ND1-N 3.18Å; H252-S255 WeakPolarHBondContact O-CB 3.3Å; H252-S255 PolarHBondContact O-N 3.1Å; P253-S255 VanDerWaalsContact C-N 3.33Å; S255-A257 PolarHBondContact OG-N 3.35Å
256K93.2Very high94.8Very high181 Ų18157.1 Ų57.179%0.78730%0.298SS*.  trans-10711.1177.1-62-174.3178.4-177.90112.7
257A96.2Very high94.8Very high16 Ų1655 Ų5513%0.13229%0.293CS..  trans-58.8139.6172.800000109.7F247 I251 S255 L290 I291F247-A257 HydrophobicContact CZ-CB 4.2Å; I251-A257 HydrophobicContact CD1-CB 3.53Å; S255-A257 PolarHBondContact OG-N 3.35Å; A257-L290 WeakPolarHBondContact O-CA 3.07Å; A257-I291 HydrophobicContact CB-CG1 4Å; A257-I291 PolarHBondContact O-N 2.92Å
258N96.7Very high94.7Very high30 Ų3058.3 Ų58.316%0.1631%0.307CS..BIsolated β-bridgetrans-120174.3-174.761.571.2000111.5N260 D261 L262 G287 V289 I291N258-N260 PolarHBondContact O-N 3.08Å; N258-N260 WeakPolarHBondContact OD1-CA 3.24Å; N258-N260 VanDerWaalsContact OD1-CB 3.24Å; N258-N260 WeakPolarHBondContact OD1-CB 3.39Å; N258-N260 PolarHBondContact OD1-N 2.89Å; N258-D261 PolarHBondContact N-OD2 3.25Å; N258-D261 VanDerWaalsContact N-OD2 3.07Å; N258-D261 PolarHBondContact ND2-OD2 2.86Å; N258-D261 WeakPolarHBondContact O-CB 3.49Å; N258-D261 PolarHBondContact O-N 3.31Å; N258-D261 PolarHBondContact OD1-N 2.66Å; N258-L262 PolarHBondContact O-N 3.23Å; N258-G287 WeakPolarHBondContact CB-O 3.19Å; N258-V289 CarbonylContact C-O 3.58Å; N258-V289 WeakPolarHBondContact CA-O 3.42Å; N258-V289 VanDerWaalsContact CB-O 3.3Å; N258-V289 WeakPolarHBondContact CB-O 3.32Å; N258-I291 WeakPolarHBondContact O-CD1 3.4Å
259M97Very high94.6Very high0 Ų063.4 Ų63.40%034%0.343CS..Hα-helixtrans-63.7-26.4-176.7-64.6-56.5-65.600113.6L191 M212 L214 D261 L262 F263 P286 V289 I291L191-M259 HydrophobicContact CD1-CE 3.53Å; L191-M259 HydrophobicContact CD2-CE 3.79Å; L191-M259 HydrophobicContact CD2-SD 4.42Å; L191-M259 HydrophobicContact CG-CE 4.34Å; M212-M259 HydrophobicContact CE-CB 4.24Å; M212-M259 HydrophobicContact CE-CG 4.07Å; M212-M259 HydrophobicContact SD-CB 3.99Å; M212-M259 HydrophobicContact SD-CE 3.34Å; M212-M259 WeakPolarHBondContact SD-CE 3.41Å; M212-M259 HydrophobicContact SD-CG 3.91Å; M212-M259 HydrophobicContact SD-SD 4.44Å; L214-M259 HydrophobicContact CD1-CE 4.23Å; M259-D261 PolarHBondContact O-N 3.03Å; M259-L262 HydrophobicContact CE-CD2 3.47Å; M259-L262 VanDerWaalsContact CE-CD2 3.47Å; M259-L262 HydrophobicContact CE-CG 4.44Å; M259-L262 PolarHBondContact O-N 3.29Å; M259-L262 HydrophobicContact SD-CD2 4Å; M259-F263 HydrophobicContact CB-CE1 4.32Å; M259-F263 HydrophobicContact CB-CE2 4.45Å; M259-F263 HydrophobicContact CB-CZ 4.03Å; M259-F263 HydrophobicContact CE-CE1 4.28Å; M259-F263 VanDerWaalsContact O-CD1 3.29Å; M259-F263 WeakPolarHBondContact O-CD1 3.46Å; M259-F263 WeakPolarHBondContact O-CD2 3.39Å; M259-F263 WeakPolarHBondContact O-CG 3.41Å; M259-F263 PolarHBondContact O-N 3.32Å; M259-P286 HydrophobicContact CB-CB 4Å; M259-P286 WeakPolarHBondContact CB-O 3.19Å; M259-P286 PolarHBondContact N-O 3.18Å; M259-V289 HydrophobicContact CB-CB 4.49Å; M259-V289 HydrophobicContact CG-CB 3.72Å; M259-V289 HydrophobicContact CG-CG1 3.61Å; M259-V289 PolarHBondContact N-O 2.83Å; M259-I291 HydrophobicContact SD-CD1 3.63Å
260N96.7Very high94.6Very high59 Ų5963.4 Ų63.432%0.31634%0.343SS..Hα-helixtrans-67.4-26.5173-69.2-29.2000112.7N258 K264 G287N258-N260 PolarHBondContact O-N 3.08Å; N258-N260 WeakPolarHBondContact OD1-CA 3.24Å; N258-N260 VanDerWaalsContact OD1-CB 3.24Å; N258-N260 WeakPolarHBondContact OD1-CB 3.39Å; N258-N260 PolarHBondContact OD1-N 2.89Å; N260-K264 WeakPolarHBondContact O-CD 3.44Å; N260-K264 WeakPolarHBondContact O-CE 3.42Å; N260-K264 WeakPolarHBondContact O-CG 3.35Å; N260-G287 VanDerWaalsContact ND2-CA 3.31Å; N260-G287 WeakPolarHBondContact ND2-CA 3.4Å; N260-G287 PolarHBondContact ND2-N 2.92Å
261D97.2Very high94.6Very high57 Ų5757 Ų5731%0.30531%0.309SS..Hα-helixtrans-72.6-42.2173.2-57.6-42.2000109.9F247 N258 M259 F263 K264F247-D261 HydrophobicContact CE2-CB 4.05Å; F247-D261 HydrophobicContact CZ-CB 4.21Å; N258-D261 PolarHBondContact N-OD2 3.25Å; N258-D261 VanDerWaalsContact N-OD2 3.07Å; N258-D261 PolarHBondContact ND2-OD2 2.86Å; N258-D261 WeakPolarHBondContact O-CB 3.49Å; N258-D261 PolarHBondContact O-N 3.31Å; N258-D261 PolarHBondContact OD1-N 2.66Å; M259-D261 PolarHBondContact O-N 3.03Å; D261-F263 VanDerWaalsContact C-N 3.34Å; D261-F263 PolarHBondContact O-N 3.31Å; D261-K264 PolarHBondContact O-N 2.87Å; D261-K264 VanDerWaalsContact O-N 3.16Å
262L96.9Very high94.6Very high1 Ų160.5 Ų60.51%0.00533%0.33CS..Hα-helixtrans-63.3-36.4174.6179.459.1000112.7L214 L244 F247 N258 M259 K264 V265 I291 F295L214-L262 HydrophobicContact CD2-CD2 4.1Å; L214-L262 HydrophobicContact CD2-CG 3.85Å; L244-L262 HydrophobicContact CD1-CD1 3.45Å; L244-L262 VanDerWaalsContact CD1-CD1 3.45Å; F247-L262 HydrophobicContact CD1-CD1 4.03Å; F247-L262 HydrophobicContact CE1-CB 4.16Å; F247-L262 HydrophobicContact CE1-CD1 4Å; F247-L262 HydrophobicContact CZ-CB 4.37Å; N258-L262 PolarHBondContact O-N 3.23Å; M259-L262 HydrophobicContact CE-CD2 3.47Å; M259-L262 VanDerWaalsContact CE-CD2 3.47Å; M259-L262 HydrophobicContact CE-CG 4.44Å; M259-L262 PolarHBondContact O-N 3.29Å; M259-L262 HydrophobicContact SD-CD2 4Å; L262-K264 PolarHBondContact O-N 3.34Å; L262-V265 HydrophobicContact CD1-CB 4.44Å; L262-V265 HydrophobicContact CD1-CG2 4Å; L262-V265 VanDerWaalsContact O-CB 3.24Å; L262-V265 WeakPolarHBondContact O-CB 3.29Å; L262-V265 WeakPolarHBondContact O-CG2 3.14Å; L262-V265 PolarHBondContact O-N 2.99Å; L262-V265 VanDerWaalsContact O-N 3.09Å; L262-I291 HydrophobicContact CB-CD1 3.61Å; L262-I291 HydrophobicContact CD2-CD1 4.03Å; L262-I291 HydrophobicContact CG-CD1 4.4Å; L262-F295 HydrophobicContact CD2-CE2 4.45Å
263F96.1Very high94.8Very high34 Ų3455.6 Ų55.615%0.14931%0.308CS..THydrogen-bonded Turntrans-64.4-19.9176.3-60.7-23.4000114.1M212 L214 M259 D261 H277 T279 P286M212-F263 HydrophobicContact CE-CZ 4.25Å; M212-F263 HydrophobicContact CG-CE1 4.32Å; M212-F263 HydrophobicContact CG-CZ 4.24Å; M212-F263 HydrophobicContact SD-CE1 3.62Å; M212-F263 HydrophobicContact SD-CZ 3.41Å; M212-F263 WeakPolarHBondContact SD-CZ 3.24Å; L214-F263 HydrophobicContact CD1-CE1 4.15Å; L214-F263 HydrophobicContact CD2-CD1 3.9Å; L214-F263 HydrophobicContact CD2-CE1 4.23Å; L214-F263 HydrophobicContact CG-CD1 4.26Å; L214-F263 HydrophobicContact CG-CE1 4.22Å; M259-F263 HydrophobicContact CB-CE1 4.32Å; M259-F263 HydrophobicContact CB-CE2 4.45Å; M259-F263 HydrophobicContact CB-CZ 4.03Å; M259-F263 HydrophobicContact CE-CE1 4.28Å; M259-F263 VanDerWaalsContact O-CD1 3.29Å; M259-F263 WeakPolarHBondContact O-CD1 3.46Å; M259-F263 WeakPolarHBondContact O-CD2 3.39Å; M259-F263 WeakPolarHBondContact O-CG 3.41Å; M259-F263 PolarHBondContact O-N 3.32Å; D261-F263 VanDerWaalsContact C-N 3.34Å; D261-F263 PolarHBondContact O-N 3.31Å; F263-H277 HydrophobicContact CD1-CB 3.91Å; F263-H277 AromaticContact CD1-CG 3.97Å; F263-H277 HydrophobicContact CE1-CB 4.04Å; F263-H277 HydrophobicContact CG-CB 4.44Å; F263-T279 HydrophobicContact CE2-CG2 3.92Å; F263-T279 HydrophobicContact CZ-CG2 3.57Å; F263-P286 HydrophobicContact CE2-CB 3.57Å; F263-P286 HydrophobicContact CE2-CG 4.01Å; F263-P286 HydrophobicContact CZ-CB 3.92Å; F263-P286 HydrophobicContact CZ-CG 4.29Å
264K95.8Very high95.2Very high146 Ų14653 Ų5364%0.63529%0.291SS*.THydrogen-bonded Turntrans-91-5.7178.1-64.3166.3-168.4161.50112.5N260 D261 L262 C266N260-K264 WeakPolarHBondContact O-CD 3.44Å; N260-K264 WeakPolarHBondContact O-CE 3.42Å; N260-K264 WeakPolarHBondContact O-CG 3.35Å; D261-K264 PolarHBondContact O-N 2.87Å; D261-K264 VanDerWaalsContact O-N 3.16Å; L262-K264 PolarHBondContact O-N 3.34Å; K264-C266 PolarHBondContact O-N 3.5Å
265V95.4Very high95.6Very high15 Ų1550.7 Ų50.79%0.09127%0.269CS..SBendtrans-62.1135.6177.1169.80000109.6L244 F247 L262L244-V265 HydrophobicContact CB-CG1 4.41Å; F247-V265 HydrophobicContact CB-CG2 3.71Å; F247-V265 HydrophobicContact CD1-CG2 4.05Å; F247-V265 HydrophobicContact CD2-CG2 3.92Å; F247-V265 HydrophobicContact CG-CG2 3.62Å; L262-V265 HydrophobicContact CD1-CB 4.44Å; L262-V265 HydrophobicContact CD1-CG2 4Å; L262-V265 VanDerWaalsContact O-CB 3.24Å; L262-V265 WeakPolarHBondContact O-CB 3.29Å; L262-V265 WeakPolarHBondContact O-CG2 3.14Å; L262-V265 PolarHBondContact O-N 2.99Å; L262-V265 VanDerWaalsContact O-N 3.09Å
266C95.7Very high95.8Very high3 Ų350 Ų502%0.0226%0.264CS..SBendtrans58.965.1178.3-152.40000114.1Y240 Y243 K264 C271 P275Y240-C266 HydrophobicContact CD2-CB 4.02Å; Y243-C266 HydrophobicContact CD2-CB 4.18Å; Y243-C266 WeakPolarHBondContact CD2-SG 3.45Å; Y243-C266 HydrophobicContact CG-CB 4.28Å; K264-C266 PolarHBondContact O-N 3.5Å; C266-C271 HydrophobicContact CB-CB 4.12Å; C266-C271 WeakPolarHBondContact CB-SG 3.36Å; C266-C271 WeakPolarHBondContact SG-CA 3.41Å; C266-C271 WeakPolarHBondContact SG-CB 3.21Å; C266-C271 PolarHBondContact SG-N 3.09Å; C266-C271 CovalentContact SG-SG 2Å; C266-C271 PolarHBondContact SG-SG 3.33Å; C266-P275 HydrophobicContact CB-CG 4.17Å; C266-P275 WeakPolarHBondContact O-CD 3.46Å; C266-P275 WeakPolarHBondContact O-CG 3.28Å
267P95.4Very high96Very high62 Ų6245.8 Ų45.840%0.40325%0.247SC..  trans-52.4155.117125.2-36.8000111.5S269 Q270 C271P267-S269 PolarHBondContact O-N 3.01Å; P267-Q270 HydrophobicContact CG-CB 4.33Å; P267-Q270 HydrophobicContact CG-CG 4.11Å; P267-Q270 PolarHBondContact O-N 2.88Å; P267-C271 PolarHBondContact O-N 3.19Å
268K94.8Very high96.1Very high110 Ų11047.4 Ų47.448%0.47825%0.25SS..Hα-helixtrans-50.7-32.3-177.3-174171.4-168.71400114.1E221 Q270 V272 S273 T274E221-K268 IonicContact OE1-NZ 2.8Å; E221-K268 PolarHBondContact OE1-NZ 3.3Å; K268-Q270 VanDerWaalsContact C-N 3.28Å; K268-Q270 PolarHBondContact O-N 2.86Å; K268-V272 VanDerWaalsContact O-CA 3.23Å; K268-V272 WeakPolarHBondContact O-CA 3.36Å; K268-V272 PolarHBondContact O-N 3.22Å; K268-S273 WeakPolarHBondContact CA-O 3.37Å; K268-T274 PolarHBondContact NZ-OG1 3.36Å
269S94.6Very high96.1Very high107 Ų10748.3 Ų48.375%0.74826%0.256SS*.Hα-helixtrans-63.3-30.3176.252.70000113.9P267P267-S269 PolarHBondContact O-N 3.01Å
270Q94.1Very high96.1Very high71 Ų7153.4 Ų53.433%0.33228%0.284SS..Hα-helixtrans-94.1-48-179.7-73.7-177.3-16.300111.8R239 Y243 P267 K268 V272R239-Q270 PolarHBondContact NH1-O 3.02Å; Y243-Q270 HydrophobicContact CD2-CB 4.25Å; Y243-Q270 HydrophobicContact CE1-CB 4.32Å; Y243-Q270 HydrophobicContact CE1-CG 4.24Å; Y243-Q270 HydrophobicContact CE2-CB 3.64Å; Y243-Q270 HydrophobicContact CE2-CG 4.4Å; P267-Q270 HydrophobicContact CG-CB 4.33Å; P267-Q270 HydrophobicContact CG-CG 4.11Å; P267-Q270 PolarHBondContact O-N 2.88Å; K268-Q270 VanDerWaalsContact C-N 3.28Å; K268-Q270 PolarHBondContact O-N 2.86Å; Q270-V272 VanDerWaalsContact C-N 3.34Å
271C94.5Very high96.1Very high0 Ų052 Ų520%028%0.276CS..Hα-helixtrans-70.5-30.9-179.6-1050000112.6R239 C266 P267 S273 P275R239-C271 VanDerWaalsContact CD-O 3.23Å; R239-C271 WeakPolarHBondContact CD-O 3.24Å; C266-C271 HydrophobicContact CB-CB 4.12Å; C266-C271 WeakPolarHBondContact CB-SG 3.36Å; C266-C271 WeakPolarHBondContact SG-CA 3.41Å; C266-C271 WeakPolarHBondContact SG-CB 3.21Å; C266-C271 PolarHBondContact SG-N 3.09Å; C266-C271 CovalentContact SG-SG 2Å; C266-C271 PolarHBondContact SG-SG 3.33Å; P267-C271 PolarHBondContact O-N 3.19Å; C271-S273 VanDerWaalsContact CB-O 3.29Å; C271-S273 WeakPolarHBondContact CB-O 3.39Å; C271-S273 PolarHBondContact O-N 2.98Å; C271-P275 HydrophobicContact CB-CG 4.32Å
272V94.9Very high96.1Very high83 Ų8350.1 Ų50.150%0.50327%0.265SS..SBendtrans63.4-16.7-169.4-167.30000113.1L224 K268 Q270L224-V272 HydrophobicContact CD1-CB 3.69Å; L224-V272 HydrophobicContact CD1-CG1 3.81Å; L224-V272 HydrophobicContact CD1-CG2 4.38Å; K268-V272 VanDerWaalsContact O-CA 3.23Å; K268-V272 WeakPolarHBondContact O-CA 3.36Å; K268-V272 PolarHBondContact O-N 3.22Å; Q270-V272 VanDerWaalsContact C-N 3.34Å
273S95.9Very high95.8Very high2 Ų257.6 Ų57.61%0.01430%0.3CS..SBendtrans-94.8168.1155.361.80000111.1S216 D222 K268 C271 P275S216-S273 WeakPolarHBondContact O-CB 3.27Å; S216-S273 PolarHBondContact O-OG 3.24Å; D222-S273 VanDerWaalsContact O-CB 3.24Å; D222-S273 WeakPolarHBondContact O-CB 3.44Å; K268-S273 WeakPolarHBondContact CA-O 3.37Å; C271-S273 VanDerWaalsContact CB-O 3.29Å; C271-S273 WeakPolarHBondContact CB-O 3.39Å; C271-S273 PolarHBondContact O-N 2.98Å; S273-P275 WeakPolarHBondContact O-CD 3.45Å
274T97.7Very high95.7Very high39 Ų3959.8 Ų59.824%0.23931%0.308CS..  trans-101.4108.8172.8-44.20000108.8S217 Q218 E221 K268 G276S217-T274 CarbonylContact C-O 3.51Å; S217-T274 WeakPolarHBondContact CA-O 3.17Å; Q218-T274 HydrophobicContact CG-CG2 4.1Å; Q218-T274 WeakPolarHBondContact CG-O 3.45Å; Q218-T274 PolarHBondContact N-O 3Å; Q218-T274 VanDerWaalsContact N-O 3.15Å; E221-T274 PolarHBondContact OE1-OG1 2.94Å; E221-T274 WeakPolarHBondContact OE2-CA 3.35Å; E221-T274 WeakPolarHBondContact OE2-CB 3.47Å; E221-T274 PolarHBondContact OE2-N 3.07Å; E221-T274 PolarHBondContact OE2-OG1 3.03Å; K268-T274 PolarHBondContact NZ-OG1 3.36Å; T274-G276 PolarHBondContact O-N 3Å
275P97.3Very high95.6Very high29 Ų2957.8 Ų57.819%0.18830%0.304CS..  trans-60.7136.7171.2-27.137.4000111.5A215 Y240 C266 C271 S273A215-P275 CarbonylContact O-C 3.47Å; A215-P275 WeakPolarHBondContact O-CA 3.23Å; A215-P275 WeakPolarHBondContact O-CB 3.46Å; Y240-P275 HydrophobicContact CD2-CB 4.15Å; Y240-P275 HydrophobicContact CD2-CG 3.88Å; Y240-P275 HydrophobicContact CE2-CB 3.99Å; Y240-P275 HydrophobicContact CE2-CG 4.17Å; C266-P275 HydrophobicContact CB-CG 4.17Å; C266-P275 WeakPolarHBondContact O-CD 3.46Å; C266-P275 WeakPolarHBondContact O-CG 3.28Å; C271-P275 HydrophobicContact CB-CG 4.32Å; S273-P275 WeakPolarHBondContact O-CD 3.45Å
276G96.5Very high95.6Very high4 Ų457.9 Ų57.94%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-105.9152.6177.700000111.2Y203 L214 A215 T274Y203-G276 WeakPolarHBondContact OH-CA 3.47Å; L214-G276 CarbonylContact C-O 3.59Å; L214-G276 VanDerWaalsContact CA-O 3.3Å; L214-G276 WeakPolarHBondContact CA-O 3.37Å; A215-G276 PolarHBondContact N-O 2.97Å; A215-G276 PolarHBondContact O-N 3.23Å; T274-G276 PolarHBondContact O-N 3Å
277H96.9Very high95.6Very high94 Ų9459 Ų5944%0.43532%0.317SS..EExtended strand (participates in β ladder)trans-14215316859.7-87.1000110.6A213 L214 F263A213-H277 CarbonylContact O-C 3.42Å; A213-H277 WeakPolarHBondContact O-CA 3.18Å; L214-H277 HydrophobicContact CG-CB 4.2Å; F263-H277 HydrophobicContact CD1-CB 3.91Å; F263-H277 AromaticContact CD1-CG 3.97Å; F263-H277 HydrophobicContact CE1-CB 4.04Å; F263-H277 HydrophobicContact CG-CB 4.44Å
278R97.3Very high95.5Very high50 Ų5059.1 Ų59.119%0.18932%0.319CS..EExtended strand (participates in β ladder)trans-135.5127.4178.8-177.1177.6-179.6-163.6-4109.4Y203 E204 F206 A213 D280Y203-R278 HydrophobicContact CD2-CB 3.81Å; Y203-R278 HydrophobicContact CD2-CG 4.4Å; Y203-R278 HydrophobicContact CE2-CB 3.8Å; Y203-R278 HydrophobicContact CG-CB 4.47Å; Y203-R278 PolarHBondContact O-NH1 2.71Å; E204-R278 PolarHBondContact O-NH1 3.43Å; E204-R278 VanDerWaalsContact O-NH1 3.12Å; F206-R278 PolarHBondContact O-NH1 3Å; F206-R278 PolarHBondContact O-NH2 2.89Å; A213-R278 HydrophobicContact CB-CB 4.35Å; A213-R278 PolarHBondContact N-O 2.94Å; A213-R278 PolarHBondContact O-N 3.15Å; R278-D280 WeakPolarHBondContact CD-OD1 3.11Å; R278-D280 WeakPolarHBondContact CG-OD1 3.28Å; R278-D280 IonicContact CZ-OD1 3.21Å; R278-D280 IonicContact CZ-OD2 3.9Å; R278-D280 IonicContact NE-OD1 3.1Å; R278-D280 PolarHBondContact NE-OD1 2.91Å; R278-D280 IonicContact NE-OD2 2.82Å; R278-D280 PolarHBondContact NE-OD2 3.38Å; R278-D280 IonicContact NH2-OD1 3.51Å; R278-D280 IonicContact NH2-OD2 2.87Å; R278-D280 PolarHBondContact NH2-OD2 3.39Å
279T97.3Very high95.5Very high48 Ų4853.9 Ų53.929%0.29430%0.296SS..  trans-132.2-3.8-172.154.40000114M212 F263 L281 F282 P286M212-T279 HydrophobicContact CE-CG2 4.47Å; M212-T279 HydrophobicContact CG-CG2 4.13Å; M212-T279 HydrophobicContact SD-CG2 4.46Å; F263-T279 HydrophobicContact CE2-CG2 3.92Å; F263-T279 HydrophobicContact CZ-CG2 3.57Å; T279-L281 PolarHBondContact O-N 2.96Å; T279-F282 WeakPolarHBondContact O-CB 3.46Å; T279-F282 PolarHBondContact O-N 3.2Å; T279-P286 HydrophobicContact CG2-CG 3.86Å
280D96.9Very high95.6Very high107 Ų10751.5 Ų51.557%0.57228%0.275SS*.THydrogen-bonded Turntrans-62.3-24-17758.6-58000114R278R278-D280 WeakPolarHBondContact CD-OD1 3.11Å; R278-D280 WeakPolarHBondContact CG-OD1 3.28Å; R278-D280 IonicContact CZ-OD1 3.21Å; R278-D280 IonicContact CZ-OD2 3.9Å; R278-D280 IonicContact NE-OD1 3.1Å; R278-D280 PolarHBondContact NE-OD1 2.91Å; R278-D280 IonicContact NE-OD2 2.82Å; R278-D280 PolarHBondContact NE-OD2 3.38Å; R278-D280 IonicContact NH2-OD1 3.51Å; R278-D280 IonicContact NH2-OD2 2.87Å; R278-D280 PolarHBondContact NH2-OD2 3.39Å
281L96.7Very high95.7Very high31 Ų3148.1 Ų48.116%0.16226%0.259CS..THydrogen-bonded Turntrans-85.9-9.4175.5-59.9173000112.8F206 P209 N210 T279F206-L281 HydrophobicContact CB-CD1 3.64Å; P209-L281 CarbonylContact C-O 3.48Å; N210-L281 WeakPolarHBondContact CA-O 3.41Å; N210-L281 PolarHBondContact N-O 2.93Å; T279-L281 PolarHBondContact O-N 2.96Å
282F96.4Very high95.7Very high16 Ų1649.2 Ų49.27%0.0727%0.265CS..  trans-97.7127.8-175-155.1-99.9000110.8E189 M212 T279 R284 V289 F294E189-F282 HydrophobicContact CB-CE2 3.82Å; E189-F282 HydrophobicContact CB-CZ 4.1Å; E189-F282 VanDerWaalsContact CD-CZ 3.47Å; E189-F282 HydrophobicContact CG-CE2 3.8Å; E189-F282 HydrophobicContact CG-CZ 3.79Å; M212-F282 HydrophobicContact CB-CD2 3.95Å; M212-F282 HydrophobicContact CB-CE2 4.41Å; M212-F282 HydrophobicContact CB-CG 4.27Å; M212-F282 HydrophobicContact CE-CD1 3.66Å; M212-F282 HydrophobicContact CE-CD2 4.39Å; M212-F282 HydrophobicContact CE-CE1 3.9Å; M212-F282 HydrophobicContact CE-CG 3.93Å; M212-F282 HydrophobicContact CE-CZ 4.36Å; T279-F282 WeakPolarHBondContact O-CB 3.46Å; T279-F282 PolarHBondContact O-N 3.2Å; F282-R284 HydrophobicContact CD1-CB 4.25Å; F282-R284 WeakPolarHBondContact CD1-O 3.26Å; F282-R284 HydrophobicContact CE1-CB 3.89Å; F282-V289 HydrophobicContact CD1-CG2 4.49Å; F282-V289 HydrophobicContact CE1-CG2 3.61Å; F282-V289 HydrophobicContact CZ-CG2 4.36Å; F282-F294 HydrophobicContact CE2-CZ 4.2Å; F282-F294 HydrophobicContact CZ-CZ 4.18Å
283Q92.1Very high95.7Very high158 Ų15846.5 Ų46.574%0.73825%0.248SC*.  trans-79.6-35.2-170.9-66.8-177.69.800114N210N210-Q283 WeakPolarHBondContact OD1-CG 3.13Å; N210-Q283 PolarHBondContact OD1-NE2 2.92Å
284R93.3Very high95.8Very high81 Ų8146.4 Ų46.431%0.30625%0.248SC..SBendtrans-81.8152.5-179-65.9160.664.4-166.5-2.3110.6E189 F282 P286 V289 D293E189-R284 WeakPolarHBondContact OE1-CD 3.44Å; E189-R284 IonicContact OE1-CZ 3.65Å; E189-R284 IonicContact OE1-NE 3.48Å; E189-R284 IonicContact OE1-NH1 2.87Å; E189-R284 PolarHBondContact OE1-NH1 2.97Å; E189-R284 IonicContact OE2-NH1 3.78Å; E189-R284 PolarHBondContact OE2-NH1 3.3Å; F282-R284 HydrophobicContact CD1-CB 4.25Å; F282-R284 WeakPolarHBondContact CD1-O 3.26Å; F282-R284 HydrophobicContact CE1-CB 3.89Å; R284-P286 WeakPolarHBondContact O-CD 3.39Å; R284-V289 HydrophobicContact CB-CG2 3.96Å; R284-D293 IonicContact CZ-OD2 3.34Å; R284-D293 IonicContact NH1-OD2 2.74Å; R284-D293 PolarHBondContact NH1-OD2 3.42Å; R284-D293 IonicContact NH2-OD2 3.7Å; R284-D293 PolarHBondContact NH2-OD2 2.87Å
285D94.2Very high95.7Very high104 Ų10444.6 Ų44.656%0.55624%0.236SC*.  trans-64.3123.8169.8173.740.7000110.1G287 S288 V289D285-G287 PolarHBondContact O-N 2.96Å; D285-G287 PolarHBondContact OD1-N 3.45Å; D285-G287 PolarHBondContact OD2-N 2.87Å; D285-S288 WeakPolarHBondContact O-CB 3.42Å; D285-S288 PolarHBondContact O-N 3.08Å; D285-S288 PolarHBondContact O-OG 3.33Å; D285-V289 WeakPolarHBondContact O-CG2 3.29Å
286P94.9Very high95.5Very high17 Ų1743.3 Ų43.311%0.1123%0.228CC..G310 helixtrans-55.4-25.8178.2-2735.1000114.2M212 M259 F263 T279 R284 S288 V289M212-P286 HydrophobicContact CE-CB 4.14Å; M212-P286 HydrophobicContact CE-CG 4.11Å; M259-P286 HydrophobicContact CB-CB 4Å; M259-P286 WeakPolarHBondContact CB-O 3.19Å; M259-P286 PolarHBondContact N-O 3.18Å; F263-P286 HydrophobicContact CE2-CB 3.57Å; F263-P286 HydrophobicContact CE2-CG 4.01Å; F263-P286 HydrophobicContact CZ-CB 3.92Å; F263-P286 HydrophobicContact CZ-CG 4.29Å; T279-P286 HydrophobicContact CG2-CG 3.86Å; R284-P286 WeakPolarHBondContact O-CD 3.39Å; P286-S288 PolarHBondContact O-N 2.83Å; P286-V289 PolarHBondContact O-N 3.2Å
287G95.5Very high95.1Very high26 Ų2645 Ų4527%0.26824%0.24SC..G310 helixtrans-66.3-21.9173.900000114.4N258 N260 D285N258-G287 WeakPolarHBondContact CB-O 3.19Å; N260-G287 VanDerWaalsContact ND2-CA 3.31Å; N260-G287 WeakPolarHBondContact ND2-CA 3.4Å; N260-G287 PolarHBondContact ND2-N 2.92Å; D285-G287 PolarHBondContact O-N 2.96Å; D285-G287 PolarHBondContact OD1-N 3.45Å; D285-G287 PolarHBondContact OD2-N 2.87Å
288S93.4Very high94.4Very high65 Ų6543 Ų4346%0.45523%0.234SC..G310 helixtrans-95.2-8.7177.773.40000114.1D285 P286D285-S288 WeakPolarHBondContact O-CB 3.42Å; D285-S288 PolarHBondContact O-N 3.08Å; D285-S288 PolarHBondContact O-OG 3.33Å; P286-S288 PolarHBondContact O-N 2.83Å
289V95.4Very high93Very high0 Ų048.8 Ų48.80%026%0.256CS..  trans-94.5118.8-175.9-177.90000108.2N258 M259 F282 R284 D285 P286 D293 F294N258-V289 CarbonylContact C-O 3.58Å; N258-V289 WeakPolarHBondContact CA-O 3.42Å; N258-V289 VanDerWaalsContact CB-O 3.3Å; N258-V289 WeakPolarHBondContact CB-O 3.32Å; M259-V289 HydrophobicContact CB-CB 4.49Å; M259-V289 HydrophobicContact CG-CB 3.72Å; M259-V289 HydrophobicContact CG-CG1 3.61Å; M259-V289 PolarHBondContact N-O 2.83Å; F282-V289 HydrophobicContact CD1-CG2 4.49Å; F282-V289 HydrophobicContact CE1-CG2 3.61Å; F282-V289 HydrophobicContact CZ-CG2 4.36Å; R284-V289 HydrophobicContact CB-CG2 3.96Å; D285-V289 WeakPolarHBondContact O-CG2 3.29Å; P286-V289 PolarHBondContact O-N 3.2Å; V289-D293 HydrophobicContact CG1-CB 4.4Å; V289-F294 HydrophobicContact CG1-CD2 4.45Å; V289-F294 HydrophobicContact CG1-CE2 3.83Å
290L95.9Very high91.1Very high56 Ų5652 Ų5229%0.29327%0.266SS..BIsolated β-bridgetrans-80.4150.9-178.4-60.8-178.5000110.8A257 T292 D293A257-L290 WeakPolarHBondContact O-CA 3.07Å; L290-T292 WeakPolarHBondContact CB-OG1 3.5Å; L290-T292 PolarHBondContact O-N 3.13Å; L290-D293 PolarHBondContact N-OD2 2.94Å; L290-D293 VanDerWaalsContact O-CB 3.27Å; L290-D293 WeakPolarHBondContact O-CB 3.46Å; L290-D293 PolarHBondContact O-N 3.09Å
291I96.8Very high89.3Confident1 Ų152.3 Ų52.31%0.00527%0.271CS..THydrogen-bonded Turntrans-59.4-35.8172-55.9-52.2000110.8F247 L248 I251 A257 N258 M259 L262 D293 F294 F295F247-I291 HydrophobicContact CE1-CD1 4.06Å; F247-I291 HydrophobicContact CE1-CG1 3.87Å; F247-I291 HydrophobicContact CE1-CG2 4.38Å; F247-I291 HydrophobicContact CZ-CD1 4.13Å; F247-I291 HydrophobicContact CZ-CG1 3.84Å; L248-I291 HydrophobicContact CD2-CG2 3.96Å; I251-I291 HydrophobicContact CG1-CG2 4.43Å; I251-I291 HydrophobicContact CG2-CG2 4.38Å; A257-I291 HydrophobicContact CB-CG1 4Å; A257-I291 PolarHBondContact O-N 2.92Å; N258-I291 WeakPolarHBondContact O-CD1 3.4Å; M259-I291 HydrophobicContact SD-CD1 3.63Å; L262-I291 HydrophobicContact CB-CD1 3.61Å; L262-I291 HydrophobicContact CD2-CD1 4.03Å; L262-I291 HydrophobicContact CG-CD1 4.4Å; I291-D293 PolarHBondContact O-N 3.08Å; I291-F294 PolarHBondContact O-N 3.01Å; I291-F294 VanDerWaalsContact O-N 3.17Å; I291-F295 HydrophobicContact CG2-CB 4.29Å; I291-F295 HydrophobicContact CG2-CD2 3.6Å; I291-F295 HydrophobicContact CG2-CE2 4.22Å; I291-F295 HydrophobicContact CG2-CG 4.15Å; I291-F295 WeakPolarHBondContact O-CD2 3.44Å; I291-F295 PolarHBondContact O-N 3.06Å
292T95.1Very high87.4Confident22 Ų2259.4 Ų59.414%0.13530%0.304CS..Hα-helixtrans-66-17177.549.20000113.2N36 I251 L290 F294 G296N36-T292 PolarHBondContact ND2-O 3.44Å; I251-T292 HydrophobicContact CG2-CG2 4.3Å; L290-T292 WeakPolarHBondContact CB-OG1 3.5Å; L290-T292 PolarHBondContact O-N 3.13Å; T292-F294 PolarHBondContact O-N 3.18Å; T292-G296 WeakPolarHBondContact O-CA 3.2Å; T292-G296 PolarHBondContact O-N 3.48Å
293D95.2Very high85.9Confident27 Ų2766.2 Ų66.214%0.14434%0.339CS..Hα-helixtrans-65.5-21173.8-70.5-6.9000112.1H33 N36 N147 R284 V289 L290 I291H33-D293 PolarHBondContact CE1-O 3.04Å; H33-D293 IonicContact CE1-OD1 2.77Å; H33-D293 PolarHBondContact NE2-O 2.81Å; N36-D293 PolarHBondContact ND2-O 2.78Å; N36-D293 PolarHBondContact OD1-O 3.18Å; N147-D293 PolarHBondContact ND2-O 3Å; R284-D293 IonicContact CZ-OD2 3.34Å; R284-D293 IonicContact NH1-OD2 2.74Å; R284-D293 PolarHBondContact NH1-OD2 3.42Å; R284-D293 IonicContact NH2-OD2 3.7Å; R284-D293 PolarHBondContact NH2-OD2 2.87Å; V289-D293 HydrophobicContact CG1-CB 4.4Å; L290-D293 PolarHBondContact N-OD2 2.94Å; L290-D293 VanDerWaalsContact O-CB 3.27Å; L290-D293 WeakPolarHBondContact O-CB 3.46Å; L290-D293 PolarHBondContact O-N 3.09Å; I291-D293 PolarHBondContact O-N 3.08Å
294F96.9Very high84.6Confident0 Ų062.6 Ų62.60%033%0.328CS..Hα-helixtrans-119-36.9176.8-67.4-79.2000113.7N147 E189 L191 F282 V289 I291 T292N147-F294 HydrophobicContact CB-CD1 4.07Å; N147-F294 HydrophobicContact CB-CE1 4.05Å; E189-F294 HydrophobicContact CB-CE1 3.99Å; E189-F294 HydrophobicContact CB-CZ 3.84Å; L191-F294 HydrophobicContact CB-CB 4.26Å; L191-F294 HydrophobicContact CB-CD1 3.4Å; L191-F294 VanDerWaalsContact CB-CD1 3.4Å; L191-F294 HydrophobicContact CB-CD2 3.99Å; L191-F294 HydrophobicContact CB-CE1 3.61Å; L191-F294 HydrophobicContact CB-CE2 4.16Å; L191-F294 HydrophobicContact CB-CG 3.61Å; L191-F294 HydrophobicContact CB-CZ 3.98Å; L191-F294 HydrophobicContact CD2-CB 3.76Å; L191-F294 HydrophobicContact CD2-CD1 4.42Å; L191-F294 HydrophobicContact CD2-CD2 3.82Å; L191-F294 HydrophobicContact CD2-CG 3.74Å; L191-F294 HydrophobicContact CG-CD2 4.48Å; L191-F294 HydrophobicContact CG-CG 4.32Å; F282-F294 HydrophobicContact CE2-CZ 4.2Å; F282-F294 HydrophobicContact CZ-CZ 4.18Å; V289-F294 HydrophobicContact CG1-CD2 4.45Å; V289-F294 HydrophobicContact CG1-CE2 3.83Å; I291-F294 PolarHBondContact O-N 3.01Å; I291-F294 VanDerWaalsContact O-N 3.17Å; T292-F294 PolarHBondContact O-N 3.18Å
295F96.7Very high83.7Confident0 Ų065.5 Ų65.50%036%0.355CS..Hα-helixtrans-94-17.9-175.7-70.7-96.7000113.5V63 L66 L149 L191 I193 L248 L262 I291V63-F295 HydrophobicContact CG2-CD1 4.04Å; L66-F295 WeakPolarHBondContact CB-O 3.24Å; L66-F295 HydrophobicContact CD1-CB 3.57Å; L149-F295 HydrophobicContact CD1-CE1 4.37Å; L149-F295 HydrophobicContact CD1-CE2 4.31Å; L149-F295 HydrophobicContact CD1-CZ 3.95Å; L149-F295 HydrophobicContact CD2-CD1 3.7Å; L149-F295 HydrophobicContact CD2-CE1 3.49Å; L149-F295 VanDerWaalsContact CD2-CE1 3.49Å; L149-F295 HydrophobicContact CD2-CE2 4.46Å; L149-F295 HydrophobicContact CD2-CG 4.28Å; L149-F295 HydrophobicContact CD2-CZ 3.91Å; L191-F295 HydrophobicContact CD2-CE2 3.78Å; I193-F295 HydrophobicContact CD1-CE2 4.36Å; I193-F295 HydrophobicContact CD1-CZ 3.8Å; L248-F295 HydrophobicContact CD1-CD1 4.03Å; L248-F295 HydrophobicContact CD1-CE1 3.6Å; L248-F295 HydrophobicContact CD1-CZ 4.23Å; L248-F295 HydrophobicContact CD2-CD1 3.93Å; L248-F295 HydrophobicContact CD2-CD2 4.4Å; L248-F295 HydrophobicContact CD2-CE1 4.01Å; L248-F295 HydrophobicContact CD2-CE2 4.46Å; L248-F295 HydrophobicContact CD2-CG 4.14Å; L248-F295 HydrophobicContact CD2-CZ 4.27Å; L248-F295 HydrophobicContact CG-CE1 4.47Å; L262-F295 HydrophobicContact CD2-CE2 4.45Å; I291-F295 HydrophobicContact CG2-CB 4.29Å; I291-F295 HydrophobicContact CG2-CD2 3.6Å; I291-F295 HydrophobicContact CG2-CE2 4.22Å; I291-F295 HydrophobicContact CG2-CG 4.15Å; I291-F295 WeakPolarHBondContact O-CD2 3.44Å; I291-F295 PolarHBondContact O-N 3.06Å
296G92.3Very high83Confident2 Ų267.8 Ų67.82%0.02136%0.362CS..SBendtrans-95.8160.3-173.600000114.7N36 I68 T292N36-G296 PolarHBondContact ND2-O 2.94Å; I68-G296 WeakPolarHBondContact CG1-O 3.34Å; T292-G296 WeakPolarHBondContact O-CA 3.2Å; T292-G296 PolarHBondContact O-N 3.48Å
297S88.8Confident82.1Confident40 Ų4073.7 Ų73.728%0.2840%0.397SS..  trans-75.2133.4165.5-162.80000110.4L66 G67 R299L66-S297 PolarHBondContact O-N 3.4Å; G67-S297 VanDerWaalsContact C-CB 3.48Å; G67-S297 WeakPolarHBondContact O-CB 3.02Å; G67-S297 PolarHBondContact O-OG 2.77Å; S297-R299 PolarHBondContact O-N 2.98Å; S297-R299 VanDerWaalsContact O-N 3.12Å; S297-R299 WeakPolarHBondContact OG-CG 3.32Å; S297-R299 PolarHBondContact OG-NE 3.26Å
298V80.5Confident81Confident51 Ų5177 Ų7731%0.30941%0.413SS..  trans-79.691.8164.1-1730000107.9H33H33-V298 VanDerWaalsContact CD2-CG2 3.47Å; H33-V298 WeakPolarHBondContact CD2-CG2 3.46Å; H33-V298 VanDerWaalsContact NE2-CG2 3.27Å; H33-V298 WeakPolarHBondContact NE2-CG2 3.1Å
299R68.3Low79.9Confident172 Ų17278.3 Ų78.365%0.64941%0.414SS*.  trans-116.8110.5169.3-60.4-175.4-168.3-174.32.3108.3G67 S297 V301G67-R299 PolarHBondContact O-NH2 3.05Å; G67-R299 VanDerWaalsContact O-NH2 3.15Å; S297-R299 PolarHBondContact O-N 2.98Å; S297-R299 VanDerWaalsContact O-N 3.12Å; S297-R299 WeakPolarHBondContact OG-CG 3.32Å; S297-R299 PolarHBondContact OG-NE 3.26Å; R299-V301 VanDerWaalsContact C-N 3.33Å; R299-V301 HydrophobicContact CB-CG2 4.06Å; R299-V301 PolarHBondContact O-N 3.07Å
300K58.2Low78.9Confident116 Ų11685.9 Ų85.950%0.50445%0.454SS..  trans-74.192.9165.8-68.5-176.5-178.31800107.2F28 S31F28-K300 PolarHBondContact O-NZ 2.89Å; S31-K300 WeakPolarHBondContact OG-CE 3.44Å; S31-K300 PolarHBondContact OG-NZ 3.24Å
301V59.7Low77.8Confident113 Ų11388.7 Ų88.769%0.68547%0.474SS*.  trans-87.8107.6174.3-1780000107.6R299 I303R299-V301 VanDerWaalsContact C-N 3.33Å; R299-V301 HydrophobicContact CB-CG2 4.06Å; R299-V301 PolarHBondContact O-N 3.07Å; V301-I303 HydrophobicContact CG1-CG1 4.31Å
302E56.1Low76.2Confident181 Ų18193.9 Ų93.985%0.84650%0.501SS*.  trans-87.9114.2166.4-70.7-176179.200108.4T304E302-T304 PolarHBondContact O-N 3.45Å
303I63.7Low74.6Confident158 Ų15898.3 Ų98.381%0.8153%0.53SS*.  trans-80.5105.4176.3-59175.2000106.9V301V301-I303 HydrophobicContact CG1-CG1 4.31Å
304T65.1Low72.7Confident83 Ų83104.5 Ų104.551%0.50956%0.562SS.*  trans-84.9135169.2-174.60000110.3E302 E306 V308E302-T304 PolarHBondContact O-N 3.45Å; T304-E306 VanDerWaalsContact C-N 3.25Å; T304-E306 WeakPolarHBondContact OG1-CB 3.43Å; T304-E306 PolarHBondContact OG1-N 3.33Å; T304-E306 VanDerWaalsContact OG1-N 3.09Å; T304-V308 HydrophobicContact CG2-CG2 4.32Å
305T75.5Confident70.6Confident141 Ų141113 Ų11387%0.86560%0.601SS**  trans-84-5.5168.7490000112.1
306E80.1Confident68.3Low152 Ų152120.9 Ų120.971%0.7164%0.638SS**SBendtrans-83.4136.6179.2-58.5-175.4171.400110.4T304 V308T304-E306 VanDerWaalsContact C-N 3.25Å; T304-E306 WeakPolarHBondContact OG1-CB 3.43Å; T304-E306 PolarHBondContact OG1-N 3.33Å; T304-E306 VanDerWaalsContact OG1-N 3.09Å; E306-V308 PolarHBondContact O-N 2.68Å
307V74.4Confident66.1Low141 Ų141127 Ų12786%0.85568%0.675SS**  trans-76.1107.2175.8-1770000107.7N309V307-N309 PolarHBondContact O-N 2.67Å
308V73.3Confident63.8Low97 Ų97131.8 Ų131.859%0.58870%0.698SS**  trans-74.5111.5171.9-177.50000108.2T304 E306 L310T304-V308 HydrophobicContact CG2-CG2 4.32Å; E306-V308 PolarHBondContact O-N 2.68Å; V308-L310 HydrophobicContact CG1-CD2 3.95Å; V308-L310 HydrophobicContact CG1-CG 4.48Å; V308-L310 PolarHBondContact O-N 2.82Å
309N70.4Confident62.2Low91 Ų91137.9 Ų137.949%0.48772%0.723SS.*  trans-77.598.5175.9-168.212.6000109.4V307 T311 D312V307-N309 PolarHBondContact O-N 2.67Å; N309-T311 PolarHBondContact O-N 2.75Å; N309-T311 PolarHBondContact OD1-OG1 3.12Å; N309-D312 PolarHBondContact ND2-OD1 3.41Å
310L74.3Confident60.8Low160 Ų160135.1 Ų135.184%0.83873%0.729SS**THydrogen-bonded Turntrans-76.43.6-179.1-63.5172.5000113.7V308V308-L310 HydrophobicContact CG1-CD2 3.95Å; V308-L310 HydrophobicContact CG1-CG 4.48Å; V308-L310 PolarHBondContact O-N 2.82Å
311T72.6Confident60Low115 Ų115135.2 Ų135.271%0.70674%0.742SS**THydrogen-bonded Turntrans-94.2-7.8-173.5-13.80000113.5N309N309-T311 PolarHBondContact O-N 2.75Å; N309-T311 PolarHBondContact OD1-OG1 3.12Å
312D64.1Low59.4Low109 Ų109134.4 Ų134.458%0.58375%0.747SS**SBendtrans-74.4126.4-179.6-64.3-32.2000109N309 I314N309-D312 PolarHBondContact ND2-OD1 3.41Å; D312-I314 PolarHBondContact O-N 2.85Å
313P59.9Low58.9Low115 Ų115134.3 Ų134.375%0.74775%0.753SS**  trans-59.7131.1174.823.1-29.6000108.4E315P313-E315 PolarHBondContact O-N 2.73Å
314I56.5Low58.2Low158 Ų158129.9 Ų129.981%0.8175%0.746SS**  trans-55.9108.2174.1-61167.7000106.8D312 Q316D312-I314 PolarHBondContact O-N 2.85Å; I314-Q316 PolarHBondContact O-N 3.44Å
315E53.1Low57.4Low177 Ų177136 Ų13683%0.82777%0.768SS**  trans-63107.3166.5-76.9-169.8165.800106.4P313 V317P313-E315 PolarHBondContact O-N 2.73Å; E315-V317 PolarHBondContact O-N 2.87Å
316Q47.3Very low55.7Low167 Ų167133.6 Ų133.678%0.7876%0.764SS**  trans-61108.8165.3-73.8-169.7-30.200106.4I314 D318I314-Q316 PolarHBondContact O-N 3.44Å; Q316-D318 PolarHBondContact O-N 3.16Å
317V45.7Very low54.2Low130 Ų130137.6 Ų137.679%0.78877%0.772SS**  trans-67103.8166.4-179.70000105.3E315 E319E315-V317 PolarHBondContact O-N 2.87Å; V317-E319 VanDerWaalsContact C-N 3.34Å; V317-E319 PolarHBondContact O-N 3.29Å
318D41.7Very low52.9Low141 Ų141140.2 Ų140.275%0.75478%0.775SS**  trans-60.997.1172.7-79.3-31.2000108.5Q316 S320Q316-D318 PolarHBondContact O-N 3.16Å; D318-S320 PolarHBondContact O-N 3.21Å; D318-S320 VanDerWaalsContact O-N 3.12Å
319E46.5Very low52Low179 Ų179142 Ų14284%0.83678%0.777SS**  trans-60.5114.9161-79.5-169.6160.600107.3V317 P321V317-E319 VanDerWaalsContact C-N 3.34Å; V317-E319 PolarHBondContact O-N 3.29Å; E319-P321 WeakPolarHBondContact O-CD 3.23Å
320S39.1Very low50.5Low113 Ų113146 Ų14679%0.7980%0.795SS**PPolyproline II helixtrans-58.6120.2175.3-59.80000109D318 A322D318-S320 PolarHBondContact O-N 3.21Å; D318-S320 VanDerWaalsContact O-N 3.12Å; S320-A322 PolarHBondContact O-N 3.4Å
321P41.8Very low49.3Very low119 Ų119147.9 Ų147.977%0.77379%0.792SS**PPolyproline II helixtrans-71.1119.8-176.417.3-16.7000109.5E319 N323E319-P321 WeakPolarHBondContact O-CD 3.23Å; P321-N323 PolarHBondContact O-N 2.9Å
322A45.8Very low48.8Very low96 Ų96146.9 Ų146.979%0.79379%0.79SS**PPolyproline II helixtrans-58.8126.1159.500000108.1S320 G324S320-A322 PolarHBondContact O-N 3.4Å; A322-G324 PolarHBondContact O-N 2.96Å
323N46.4Very low48.4Very low179 Ų179152.6 Ų152.696%0.95781%0.805SS**SBendtrans-39.5107.1-178.9-79-26.3000113.4P321P321-N323 PolarHBondContact O-N 2.9Å
324G48.6Very low47.9Very low65 Ų65153.6 Ų153.667%0.6781%0.809SS**  trans-165117166.400000108.5A322 A326A322-G324 PolarHBondContact O-N 2.96Å; G324-A326 PolarHBondContact O-N 3.15Å
325E48.5Very low48.2Very low210 Ų210153.3 Ų153.398%0.98181%0.808SS**  trans-58103.4179.3-70.8177.2153.600110.6
326A40.4Very low48.4Very low92 Ų92153.9 Ų153.976%0.7681%0.811SS**  trans-95.3118.2168.400000108.6G324 E328G324-A326 PolarHBondContact O-N 3.15Å; A326-E328 PolarHBondContact O-N 3.43Å
327R48.9Very low48.8Very low236 Ų236152.2 Ų152.289%0.89181%0.807SS**  trans-63.3120.5165.3-84.8177.7167.3174.7-3.7108.3E329R327-E329 PolarHBondContact O-N 3.3Å
328E45.9Very low49.3Very low196 Ų196148.8 Ų148.892%0.91679%0.787SS**  trans-6596.4166.1-78.9-178.7150.600109.2A326 M330A326-E328 PolarHBondContact O-N 3.43Å; E328-M330 PolarHBondContact O-N 2.79Å
329E54.1Low50Low135 Ų135146.1 Ų146.163%0.63178%0.776SS**  trans-82.7108157.6-76.9-173.1171.700107.8R327 Y331R327-E329 PolarHBondContact O-N 3.3Å; E329-Y331 HydrophobicContact CB-CE2 4.09Å; E329-Y331 WeakPolarHBondContact O-CD2 3.17Å; E329-Y331 WeakPolarHBondContact O-CE2 3.15Å; E329-Y331 PolarHBondContact O-N 2.65Å; E329-Y331 PolarHBondContact OE2-OH 3.34Å
330M39.4Very low50.5Low175 Ų175141.5 Ų141.586%0.86276%0.764SS**  trans-68.898.3175.4-169.3178.89200108.9E328 S332E328-M330 PolarHBondContact O-N 2.79Å; M330-S332 PolarHBondContact O-N 3.41Å
331Y49.9Very low51.5Low199 Ų199142.3 Ų142.378%0.7876%0.755SS**  trans-75108.1172.5-67.2-82000109.5E329E329-Y331 HydrophobicContact CB-CE2 4.09Å; E329-Y331 WeakPolarHBondContact O-CD2 3.17Å; E329-Y331 WeakPolarHBondContact O-CE2 3.15Å; E329-Y331 PolarHBondContact O-N 2.65Å; E329-Y331 PolarHBondContact OE2-OH 3.34Å
332S60.5Low52.2Low93 Ų93141 Ų14165%0.6574%0.74SS**PPolyproline II helixtrans-88.1137.7167.262.30000109.9M330 V334M330-S332 PolarHBondContact O-N 3.41Å; S332-V334 PolarHBondContact O-N 2.98Å
333Y57.5Low52.6Low229 Ų229142.4 Ų142.490%0.89873%0.733SS**PPolyproline II helixtrans-57.1133.8165.3-76.7-85.3000109.6
334V48.7Very low52.8Low137 Ų137141.3 Ų141.383%0.8372%0.722SS**PPolyproline II helixtrans-71.2133.5172.6-175.90000107.7S332 Q336S332-V334 PolarHBondContact O-N 2.98Å; V334-Q336 PolarHBondContact O-N 3.29Å
335D62.9Low52.5Low151 Ų151145.3 Ų145.381%0.80772%0.723SS**PPolyproline II helixtrans-51.4138.2177.1-70.5-40.3000111.1L337D335-L337 PolarHBondContact O-N 3.09Å
336Q56.9Low52.4Low190 Ų190144.4 Ų144.489%0.88872%0.716SS**PPolyproline II helixtrans-59.7125.9176.7-160170.611.800108.5V334V334-Q336 PolarHBondContact O-N 3.29Å
337L55.4Low52.6Low131 Ų131145.9 Ų145.969%0.68672%0.718SS**PPolyproline II helixtrans-49.1132.2-178.4-78.4163.7000110.1D335 V339 I342D335-L337 PolarHBondContact O-N 3.09Å; L337-V339 WeakPolarHBondContact O-CG2 3.24Å; L337-V339 PolarHBondContact O-N 2.87Å; L337-I342 HydrophobicContact CB-CD1 4.49Å
338P56.2Low52.4Low58 Ų58144.2 Ų144.238%0.37772%0.717SS.*  trans-75.378.9-176.531.1-34000109.3S340 E341 I342P338-S340 PolarHBondContact O-N 3.34Å; P338-S340 VanDerWaalsContact O-N 3.14Å; P338-E341 HydrophobicContact CB-CB 4.13Å; P338-E341 HydrophobicContact CB-CG 4.13Å; P338-E341 HydrophobicContact CG-CB 4.34Å; P338-E341 PolarHBondContact O-N 3.22Å; P338-I342 WeakPolarHBondContact O-CG1 3.18Å; P338-I342 PolarHBondContact O-N 3.21Å; P338-I342 VanDerWaalsContact O-N 3.16Å
339V55.9Low52.4Low86 Ų86143.3 Ų143.352%0.52171%0.713SS.*Hα-helixtrans-57.5-31.4-176.4-176.50000111.2L337 I342 I343L337-V339 WeakPolarHBondContact O-CG2 3.24Å; L337-V339 PolarHBondContact O-N 2.87Å; V339-I342 PolarHBondContact O-N 2.65Å; V339-I343 HydrophobicContact CG1-CD1 3.77Å; V339-I343 HydrophobicContact CG1-CG1 4.3Å; V339-I343 VanDerWaalsContact O-CG1 3.29Å; V339-I343 WeakPolarHBondContact O-CG1 3.42Å; V339-I343 PolarHBondContact O-N 3.21Å
340S58.3Low52Low82 Ų82146.1 Ų146.157%0.57372%0.723SS**Hα-helixtrans-65.4-34.7174.752.60000113.5P338 H344P338-S340 PolarHBondContact O-N 3.34Å; P338-S340 VanDerWaalsContact O-N 3.14Å; S340-H344 PolarHBondContact O-CD2 2.87Å; S340-H344 VanDerWaalsContact O-CD2 3.25Å
341E59.8Low52.3Low130 Ų130144.2 Ų144.261%0.60772%0.717SS**Hα-helixtrans-77.1-30.2175.5-67.7-178.6165.500111.6P338 Q345P338-E341 HydrophobicContact CB-CB 4.13Å; P338-E341 HydrophobicContact CB-CG 4.13Å; P338-E341 HydrophobicContact CG-CB 4.34Å; P338-E341 PolarHBondContact O-N 3.22Å; E341-Q345 WeakPolarHBondContact O-CG 3.3Å; E341-Q345 PolarHBondContact O-N 2.57Å
342I56.9Low52.2Low91 Ų91144.2 Ų144.247%0.46772%0.715SS.*Hα-helixtrans-70.7-40.4177.2-62.2169.1000111.1L337 P338 V339 H344 Q345L337-I342 HydrophobicContact CB-CD1 4.49Å; P338-I342 WeakPolarHBondContact O-CG1 3.18Å; P338-I342 PolarHBondContact O-N 3.21Å; P338-I342 VanDerWaalsContact O-N 3.16Å; V339-I342 PolarHBondContact O-N 2.65Å; I342-H344 VanDerWaalsContact C-N 3.32Å; I342-H344 PolarHBondContact O-N 3.5Å; I342-Q345 PolarHBondContact O-N 3.39Å
343I52.8Low51.9Low125 Ų125147.5 Ų147.564%0.64172%0.72SS**Hα-helixtrans-71.2-27-179.1-67.2168.9000112.1V339V339-I343 HydrophobicContact CG1-CD1 3.77Å; V339-I343 HydrophobicContact CG1-CG1 4.3Å; V339-I343 VanDerWaalsContact O-CG1 3.29Å; V339-I343 WeakPolarHBondContact O-CG1 3.42Å; V339-I343 PolarHBondContact O-N 3.21Å
344H50.6Low51.5Low157 Ų157138.8 Ų138.873%0.72769%0.691SS**THydrogen-bonded Turntrans-94.43.4-179.9-72-52.2000115S340 I342 K346S340-H344 PolarHBondContact O-CD2 2.87Å; S340-H344 VanDerWaalsContact O-CD2 3.25Å; I342-H344 VanDerWaalsContact C-N 3.32Å; I342-H344 PolarHBondContact O-N 3.5Å; H344-K346 PolarHBondContact O-N 2.88Å
345Q43.2Very low51.9Low149 Ų149136.1 Ų136.170%0.69668%0.677SS**  trans-70.2100.9169.5-79-178.18.200110.1E341 I342E341-Q345 WeakPolarHBondContact O-CG 3.3Å; E341-Q345 PolarHBondContact O-N 2.57Å; I342-Q345 PolarHBondContact O-N 3.39Å
346K46.2Very low51.5Low190 Ų190134.6 Ų134.683%0.82667%0.669SS**  trans-51.3133.8160.8-87.1-176.9176.5178.30108.3H344 K348H344-K346 PolarHBondContact O-N 2.88Å; K346-K348 PolarHBondContact O-N 3.02Å
347P44.7Very low51.6Low124 Ų124128.5 Ų128.581%0.80566%0.657SS**  trans-58116.6178.722.5-31000108.8Q349P347-Q349 PolarHBondContact O-N 3.34Å; P347-Q349 VanDerWaalsContact O-N 3.08Å
348K44.7Very low51.9Low200 Ų200129.6 Ų129.687%0.8766%0.656SS**  trans-59.6115.7164.4-88.1-176.6175.5177.60106.2K346 K350K346-K348 PolarHBondContact O-N 3.02Å; K348-K350 PolarHBondContact O-N 2Å
349Q45.5Very low52.5Low178 Ų178130.8 Ų130.883%0.83266%0.659SS**  trans-55.1102171.5-165.9172.33.900107P347 D351P347-Q349 PolarHBondContact O-N 3.34Å; P347-Q349 VanDerWaalsContact O-N 3.08Å; Q349-D351 PolarHBondContact O-N 2.71Å
350K46.5Very low53.2Low194 Ų194132.4 Ų132.484%0.84366%0.663SS**  trans-69.2115.8170-97-178.5173.3177.20105.8K348 W352K348-K350 PolarHBondContact O-N 2Å; K350-W352 PolarHBondContact O-N 3.48Å
351D46.2Very low54Low135 Ų135130.2 Ų130.272%0.72265%0.654SS**  trans-55.6105.3162.8-68.5-41.4000107.5Q349 H353Q349-D351 PolarHBondContact O-N 2.71Å; D351-H353 PolarHBondContact O-N 3.16Å
352W47.7Very low54.8Low199 Ų199128.4 Ų128.475%0.75465%0.648SS**  trans-77.1105.2177.6-174.988000107.2K350 P354K350-W352 PolarHBondContact O-N 3.48Å; W352-P354 HydrophobicContact CE3-CB 4.31Å; W352-P354 HydrophobicContact CE3-CG 4.36Å; W352-P354 HydrophobicContact CH2-CB 3.61Å; W352-P354 HydrophobicContact CH2-CG 4.37Å; W352-P354 HydrophobicContact CZ2-CB 4.43Å; W352-P354 HydrophobicContact CZ3-CB 3.53Å; W352-P354 HydrophobicContact CZ3-CG 3.79Å
353H52.8Low55.7Low162 Ų162131.6 Ų131.675%0.7565%0.654SS**  trans-88.2120.4165.6-70.9-63.2000108.7D351D351-H353 PolarHBondContact O-N 3.16Å
354P49.8Very low57Low45 Ų45129.4 Ų129.429%0.29265%0.647SS.*  trans-62.6141.5167.921.3-25.4000109.4W352 D356 I359W352-P354 HydrophobicContact CE3-CB 4.31Å; W352-P354 HydrophobicContact CE3-CG 4.36Å; W352-P354 HydrophobicContact CH2-CB 3.61Å; W352-P354 HydrophobicContact CH2-CG 4.37Å; W352-P354 HydrophobicContact CZ2-CB 4.43Å; W352-P354 HydrophobicContact CZ3-CB 3.53Å; W352-P354 HydrophobicContact CZ3-CG 3.79Å; P354-D356 VanDerWaalsContact C-N 3.33Å; P354-D356 PolarHBondContact O-N 2.8Å; P354-I359 HydrophobicContact CB-CD1 4.47Å
355P56.4Low58.5Low82 Ų82127 Ų12753%0.53264%0.639SS.*  trans-73.293.516929-29.5000107.9G357 F358P355-G357 PolarHBondContact O-N 2.95Å; P355-F358 HydrophobicContact CB-CB 4.35Å; P355-F358 HydrophobicContact CG-CB 4.13Å; P355-F358 PolarHBondContact O-N 3.43Å
356D55.9Low60.5Low119 Ų119124 Ų12464%0.63663%0.627SS**Hα-helixtrans-51.4-27.6-178.9-70.7-30000112.8P354 L360P354-D356 VanDerWaalsContact C-N 3.33Å; P354-D356 PolarHBondContact O-N 2.8Å; D356-L360 WeakPolarHBondContact O-CD1 3.45Å
357G58.3Low62.2Low61 Ų61119.3 Ų119.363%0.62961%0.61SS**Hα-helixtrans-73.5-30.7177.400000115.6P355 G361P355-G357 PolarHBondContact O-N 2.95Å; G357-G361 PolarHBondContact O-N 2.87Å; G357-G361 VanDerWaalsContact O-N 3.14Å
358F61.9Low64Low154 Ų154119.3 Ų119.368%0.67560%0.603SS**Hα-helixtrans-80.6-37.5-173.4-159.8-93.1000111.8P355 G361 L362P355-F358 HydrophobicContact CB-CB 4.35Å; P355-F358 HydrophobicContact CG-CB 4.13Å; P355-F358 PolarHBondContact O-N 3.43Å; F358-G361 PolarHBondContact O-N 2.94Å; F358-L362 WeakPolarHBondContact O-CB 3.41Å; F358-L362 PolarHBondContact O-N 3.21Å
359I68.2Low65.7Low84 Ų84113.6 Ų113.643%0.43159%0.585SS.*Hα-helixtrans-69.4-43.5178.5-63.5173.9000110P354 G361 L362 W363P354-I359 HydrophobicContact CB-CD1 4.47Å; I359-G361 PolarHBondContact O-N 2.74Å; I359-L362 PolarHBondContact O-N 2.69Å; I359-W363 PolarHBondContact O-N 3.07Å
360L70.5Confident67.4Low119 Ų119110.4 Ų110.462%0.62357%0.568SS**Hα-helixtrans-62.8-39.1174.4-81164.1000112.5D356 T364D356-L360 WeakPolarHBondContact O-CD1 3.45Å; L360-T364 WeakPolarHBondContact O-CG2 3.23Å; L360-T364 PolarHBondContact O-N 3.15Å; L360-T364 PolarHBondContact O-OG1 3.49Å
361G74.9Confident68.8Low37 Ų37107.1 Ų107.138%0.38155%0.554SS.*Hα-helixtrans-63.8-40.6175.100000113G357 F358 I359 T364 L365G357-G361 PolarHBondContact O-N 2.87Å; G357-G361 VanDerWaalsContact O-N 3.14Å; F358-G361 PolarHBondContact O-N 2.94Å; I359-G361 PolarHBondContact O-N 2.74Å; G361-T364 WeakPolarHBondContact CA-OG1 3.4Å; G361-T364 PolarHBondContact O-OG1 3.45Å; G361-L365 WeakPolarHBondContact O-CB 3.41Å; G361-L365 PolarHBondContact O-N 3.43Å; G361-L365 VanDerWaalsContact O-N 3.14Å
362L78.1Confident70.1Confident91 Ų91109 Ų10948%0.47656%0.556SS.*Hα-helixtrans-69.5-41.4178.6-168.869000111.9F358 I359 L365 I366F358-L362 WeakPolarHBondContact O-CB 3.41Å; F358-L362 PolarHBondContact O-N 3.21Å; I359-L362 PolarHBondContact O-N 2.69Å; L362-L365 PolarHBondContact O-N 3.29Å; L362-I366 HydrophobicContact CG-CD1 4.07Å; L362-I366 VanDerWaalsContact O-CG1 3.26Å; L362-I366 WeakPolarHBondContact O-CG1 3.38Å; L362-I366 PolarHBondContact O-N 3.49Å
363W75.6Confident71.3Confident158 Ų158103.6 Ų103.660%0.59855%0.545SS*.Hα-helixtrans-67.4-37.7177.3-80.3109000113.1I359 I366 L367I359-W363 PolarHBondContact O-N 3.07Å; W363-I366 PolarHBondContact O-N 2.85Å; W363-L367 WeakPolarHBondContact O-CB 3.26Å; W363-L367 WeakPolarHBondContact O-CG 3.29Å; W363-L367 PolarHBondContact O-N 2.96Å
364T80.1Confident71.9Confident80 Ų80102.3 Ų102.349%0.49154%0.535SS..Hα-helixtrans-66-39.517548.40000111.8L360 G361 L367 L368L360-T364 WeakPolarHBondContact O-CG2 3.23Å; L360-T364 PolarHBondContact O-N 3.15Å; L360-T364 PolarHBondContact O-OG1 3.49Å; G361-T364 WeakPolarHBondContact CA-OG1 3.4Å; G361-T364 PolarHBondContact O-OG1 3.45Å; T364-L367 PolarHBondContact O-N 3.03Å; T364-L368 WeakPolarHBondContact O-CB 3.23Å; T364-L368 WeakPolarHBondContact O-CG 3.37Å; T364-L368 PolarHBondContact O-N 2.97Å
365L82.4Confident72.6Confident106 Ų106100.8 Ų100.856%0.55553%0.527SS*.Hα-helixtrans-63.7-46174.5-166.284.1000111.7G361 L362 L367 L368 V369G361-L365 WeakPolarHBondContact O-CB 3.41Å; G361-L365 PolarHBondContact O-N 3.43Å; G361-L365 VanDerWaalsContact O-N 3.14Å; L362-L365 PolarHBondContact O-N 3.29Å; L365-L367 PolarHBondContact O-N 2.73Å; L365-L368 PolarHBondContact O-N 3.07Å; L365-V369 VanDerWaalsContact O-CG2 3.3Å; L365-V369 WeakPolarHBondContact O-CG2 3.18Å; L365-V369 PolarHBondContact O-N 3.43Å
366I84Confident72.9Confident85 Ų85102.5 Ų102.544%0.43654%0.536SS..Hα-helixtrans-61.3-44.9178.3-69.9166.9000110.8L362 W363 V369 F370L362-I366 HydrophobicContact CG-CD1 4.07Å; L362-I366 VanDerWaalsContact O-CG1 3.26Å; L362-I366 WeakPolarHBondContact O-CG1 3.38Å; L362-I366 PolarHBondContact O-N 3.49Å; W363-I366 PolarHBondContact O-N 2.85Å; I366-V369 PolarHBondContact O-N 3.24Å; I366-F370 WeakPolarHBondContact O-CB 3.34Å; I366-F370 PolarHBondContact O-N 2.89Å
367L82.3Confident73.2Confident93 Ų93105.2 Ų105.249%0.48754%0.542SS..Hα-helixtrans-63.7-43.1177.1-78.3167.6000112.1W363 T364 L365 V369 F370 F371W363-L367 WeakPolarHBondContact O-CB 3.26Å; W363-L367 WeakPolarHBondContact O-CG 3.29Å; W363-L367 PolarHBondContact O-N 2.96Å; T364-L367 PolarHBondContact O-N 3.03Å; L365-L367 PolarHBondContact O-N 2.73Å; L367-V369 PolarHBondContact O-N 2.88Å; L367-F370 PolarHBondContact O-N 3.49Å; L367-F371 HydrophobicContact CD2-CE2 4.45Å; L367-F371 WeakPolarHBondContact O-CD2 3.37Å; L367-F371 PolarHBondContact O-N 3.03Å
368L82.2Confident73.3Confident124 Ų124106.6 Ų106.665%0.64953%0.531SS*.Hα-helixtrans-62.2-43176.6-81.7166.7000112T364 L365 K372T364-L368 WeakPolarHBondContact O-CB 3.23Å; T364-L368 WeakPolarHBondContact O-CG 3.37Å; T364-L368 PolarHBondContact O-N 2.97Å; L365-L368 PolarHBondContact O-N 3.07Å; L368-K372 WeakPolarHBondContact O-CB 3.33Å; L368-K372 PolarHBondContact O-N 2.81Å
369V81.5Confident73.1Confident80 Ų80104.1 Ų104.149%0.48553%0.525SS..Hα-helixtrans-65.3-42.4176.3173.50000110.5L365 I366 L367 K372 T373L365-V369 VanDerWaalsContact O-CG2 3.3Å; L365-V369 WeakPolarHBondContact O-CG2 3.18Å; L365-V369 PolarHBondContact O-N 3.43Å; I366-V369 PolarHBondContact O-N 3.24Å; L367-V369 PolarHBondContact O-N 2.88Å; V369-K372 PolarHBondContact O-N 2.87Å; V369-T373 HydrophobicContact CG1-CG2 4.3Å; V369-T373 WeakPolarHBondContact O-CB 2.98Å; V369-T373 WeakPolarHBondContact O-CG2 3.29Å; V369-T373 PolarHBondContact O-N 3.4Å; V369-T373 PolarHBondContact O-OG1 3.23Å
370F80.3Confident72.5Confident110 Ų110109.4 Ų109.448%0.48255%0.545SS..Hα-helixtrans-62.6-45.9177.7-175.2-95000112.2I366 L367 Y374 G375I366-F370 WeakPolarHBondContact O-CB 3.34Å; I366-F370 PolarHBondContact O-N 2.89Å; L367-F370 PolarHBondContact O-N 3.49Å; F370-Y374 HydrophobicContact CE2-CD1 4.49Å; F370-Y374 HydrophobicContact CE2-CG 4.19Å; F370-Y374 HydrophobicContact CZ-CD1 4.34Å; F370-Y374 HydrophobicContact CZ-CG 4.38Å; F370-Y374 WeakPolarHBondContact O-CA 3.39Å; F370-Y374 WeakPolarHBondContact O-CB 3.15Å; F370-Y374 PolarHBondContact O-N 2.94Å; F370-G375 PolarHBondContact O-N 3.22Å
371F76.6Confident72Confident126 Ų126111.6 Ų111.655%0.55355%0.552SS**Iπ-helixtrans-68.1-37.2176.8-86.2-76.5000112.8L367 G375 V376L367-F371 HydrophobicContact CD2-CE2 4.45Å; L367-F371 WeakPolarHBondContact O-CD2 3.37Å; L367-F371 PolarHBondContact O-N 3.03Å; F371-G375 VanDerWaalsContact O-CA 3.32Å; F371-G375 WeakPolarHBondContact O-CA 3.43Å; F371-G375 PolarHBondContact O-N 3.42Å; F371-G375 VanDerWaalsContact O-N 3.14Å; F371-V376 PolarHBondContact O-N 2.86Å
372K73.6Confident71.2Confident173 Ų173115.9 Ų115.975%0.75256%0.564SS**Iπ-helixtrans-69.5-36.2178.6-169.5176.9-177.9-179.70112.7L368 V369L368-K372 WeakPolarHBondContact O-CB 3.33Å; L368-K372 PolarHBondContact O-N 2.81Å; V369-K372 PolarHBondContact O-N 2.87Å
373T71.9Confident69.8Low87 Ų87124 Ų12453%0.53460%0.596SS.*Iπ-helixtrans-94.4-37.7-176.155.40000113.4V369V369-T373 HydrophobicContact CG1-CG2 4.3Å; V369-T373 WeakPolarHBondContact O-CB 2.98Å; V369-T373 WeakPolarHBondContact O-CG2 3.29Å; V369-T373 PolarHBondContact O-N 3.4Å; V369-T373 PolarHBondContact O-OG1 3.23Å
374Y64.8Low69.5Low135 Ų135122.3 Ų122.353%0.52960%0.596SS.*Iπ-helixtrans-106.3-42.7-173.5-130.7-91.8000112.5F370 V376 K377 H378F370-Y374 HydrophobicContact CE2-CD1 4.49Å; F370-Y374 HydrophobicContact CE2-CG 4.19Å; F370-Y374 HydrophobicContact CZ-CD1 4.34Å; F370-Y374 HydrophobicContact CZ-CG 4.38Å; F370-Y374 WeakPolarHBondContact O-CA 3.39Å; F370-Y374 WeakPolarHBondContact O-CB 3.15Å; F370-Y374 PolarHBondContact O-N 2.94Å; Y374-V376 PolarHBondContact O-N 2.91Å; Y374-K377 PolarHBondContact O-N 3.07Å; Y374-H378 AromaticContact CD1-CD2 3.68Å; Y374-H378 AromaticContact CE1-CD2 3.68Å; Y374-H378 AromaticContact CE1-NE2 3.89Å; Y374-H378 PolarHBondContact O-N 3.01Å
375G64.7Low69Low12 Ų12124.5 Ų124.512%0.12460%0.601CS.*Iπ-helixtrans-60.8-45.1-177.600000113.5F370 F371 K377 H378 L379F370-G375 PolarHBondContact O-N 3.22Å; F371-G375 VanDerWaalsContact O-CA 3.32Å; F371-G375 WeakPolarHBondContact O-CA 3.43Å; F371-G375 PolarHBondContact O-N 3.42Å; F371-G375 VanDerWaalsContact O-N 3.14Å; G375-K377 VanDerWaalsContact C-N 3.25Å; G375-K377 PolarHBondContact O-N 3.25Å; G375-H378 PolarHBondContact O-N 3.44Å; G375-L379 WeakPolarHBondContact O-CB 3.21Å; G375-L379 WeakPolarHBondContact O-CD1 2.97Å; G375-L379 PolarHBondContact O-N 2.85Å
376V62.4Low68.2Low119 Ų119125.5 Ų125.572%0.72160%0.604SS**Hα-helixtrans-64.8-28.2-179.5-179.30000112.7F371 Y374F371-V376 PolarHBondContact O-N 2.86Å; Y374-V376 PolarHBondContact O-N 2.91Å
377K62.2Low67.3Low175 Ų175127.9 Ų127.976%0.76161%0.614SS**Hα-helixtrans-82.3-27178.4-100.6-177.1175.5-179.80113.8Y374 G375Y374-K377 PolarHBondContact O-N 3.07Å; G375-K377 VanDerWaalsContact C-N 3.25Å; G375-K377 PolarHBondContact O-N 3.25Å
378H60.2Low66.3Low90 Ų90130.1 Ų130.142%0.41762%0.622SS.*Hα-helixtrans-113.4-2.6-170.9-72.3-74000115.3Y374 G375 K380 H381Y374-H378 AromaticContact CD1-CD2 3.68Å; Y374-H378 AromaticContact CE1-CD2 3.68Å; Y374-H378 AromaticContact CE1-NE2 3.89Å; Y374-H378 PolarHBondContact O-N 3.01Å; G375-H378 PolarHBondContact O-N 3.44Å; H378-K380 PolarHBondContact O-N 2.81Å; H378-K380 VanDerWaalsContact O-N 3.13Å; H378-H381 PolarHBondContact O-N 3.38Å
379L58.5Low65.3Low103 Ų103130.5 Ų130.554%0.53962%0.62SS.*G310 helixtrans-65.2-13.7178.2-117.599.5000115.1G375 H381G375-L379 WeakPolarHBondContact O-CB 3.21Å; G375-L379 WeakPolarHBondContact O-CD1 2.97Å; G375-L379 PolarHBondContact O-N 2.85Å; L379-H381 PolarHBondContact O-N 2.95Å
380K55.7Low64.1Low194 Ų194134.1 Ų134.184%0.84363%0.63SS**G310 helixtrans-74.6-6.2175.8-82.6-173.7176.2-178.10114.6H378H378-K380 PolarHBondContact O-N 2.81Å; H378-K380 VanDerWaalsContact O-N 3.13Å
381H60.8Low62.9Low166 Ų166135.9 Ų135.977%0.76964%0.641SS**G310 helixtrans-119.47.6-178.9-66.6-61000113.7H378 L379H378-H381 PolarHBondContact O-N 3.38Å; L379-H381 PolarHBondContact O-N 2.95Å
382I58.3Low61.7Low127 Ų127136.8 Ų136.865%0.65165%0.648SS**  trans-132.155.1178.8-49177.1000107.8
383F47.8Very low60.7Low260 Ų260133.5 Ų133.5100%1.1464%0.639SS**  trans-165.10153.6-86.8-63.5000109

Retrieved 383 of 383 residues in 2628.1 ms (Link to these results)

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